A0A3Q0KJX7_SCHMA Loading...

GDP-L-fucose synthase

Catalyzes the two-step NADP-dependent conversion of GDP-4-dehydro-6-deoxy-D-mannose to GDP-fucose, involving an epimerase and a reductase reaction.

AlphaFold DB , UniProt , Accession A0A3Q0KJX7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 318 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
1M72.3Confident94.6Very high207 Ų20742.5 Ų42.5100%1.0223%0.231SC*.  0133.60-78.5-179.4-104.700108.3
2E88.8Confident94.7Very high142 Ų14240.3 Ų40.366%0.66423%0.226SC*.PPolyproline II helixtrans-68.8131.7171.8-169.3177176.100108.9
3T94.9Very high94.9Very high22 Ų2238.7 Ų38.714%0.13522%0.216CC..EExtended strand (participates in β ladder)trans-103.3125.2179.9-65.10000108.6V5 N33 E34 K35 Y63T3-V5 HydrophobicContact CG2-CG2 4.02Å; T3-N33 PolarHBondContact N-O 3.07Å; T3-E34 CarbonylContact O-C 3.54Å; T3-E34 WeakPolarHBondContact O-CA 3.22Å; T3-K35 PolarHBondContact O-N 2.74Å; T3-Y63 HydrophobicContact CG2-CD2 3.32Å; T3-Y63 HydrophobicContact CG2-CE2 3.38Å
4T97.8Very high95.1Very high19 Ų1937.6 Ų37.612%0.11721%0.211CC..EExtended strand (participates in β ladder)trans-102.6120.1171.8-63.60000109.9K35 I37 I59 P61 T62 Y63T4-K35 CarbonylContact C-O 3.54Å; T4-K35 WeakPolarHBondContact CA-O 3.26Å; T4-I37 HydrophobicContact CG2-CD1 3.67Å; T4-I37 HydrophobicContact CG2-CG1 4.41Å; T4-I59 HydrophobicContact CG2-CG2 4.07Å; T4-P61 HydrophobicContact CG2-CB 4.45Å; T4-T62 PolarHBondContact N-OG1 3.06Å; T4-T62 PolarHBondContact O-N 3.5Å; T4-Y63 PolarHBondContact O-N 3.44Å; T4-Y63 VanDerWaalsContact O-N 3.07Å
5V98.3Very high95.4Very high0 Ų035.1 Ų35.10%020%0.197CC..EExtended strand (participates in β ladder)trans-106.3114.3175.9-1710000109T3 V7 K35 W36 I37 Y63 I65 L229T3-V5 HydrophobicContact CG2-CG2 4.02Å; V5-V7 HydrophobicContact CG1-CG2 4.42Å; V5-K35 PolarHBondContact N-O 2.83Å; V5-W36 HydrophobicContact CB-CD2 4.03Å; V5-W36 HydrophobicContact CB-CE3 3.84Å; V5-W36 HydrophobicContact CB-CH2 4.41Å; V5-W36 HydrophobicContact CB-CZ3 4.07Å; V5-W36 HydrophobicContact CG1-CD2 4.42Å; V5-W36 HydrophobicContact CG1-CE3 3.76Å; V5-W36 HydrophobicContact CG1-CH2 4.04Å; V5-W36 HydrophobicContact CG1-CZ3 3.56Å; V5-W36 HydrophobicContact CG2-CD2 4.34Å; V5-W36 HydrophobicContact CG2-CE3 4.46Å; V5-W36 HydrophobicContact CG2-CH2 4.33Å; V5-W36 HydrophobicContact CG2-CZ2 4.19Å; V5-W36 HydrophobicContact CG2-CZ3 4.48Å; V5-I37 PolarHBondContact O-N 3.41Å; V5-Y63 WeakPolarHBondContact CA-O 3.45Å; V5-Y63 HydrophobicContact CG2-CD2 4.3Å; V5-I65 HydrophobicContact CG1-CD1 3.9Å; V5-I65 HydrophobicContact CG1-CG1 4.27Å; V5-L229 HydrophobicContact CG1-CD2 3.86Å; V5-L229 HydrophobicContact CG2-CD2 3.88Å
6L98.7Very high95.5Very high0 Ų033.7 Ų33.70%019%0.189CC..EExtended strand (participates in β ladder)trans-92.9123.9174176.465.2000110I37 L39 Y55 F56 P61 Y63 V64 I65L6-I37 HydrophobicContact CD1-CB 4.16Å; L6-I37 HydrophobicContact CD1-CG2 3.86Å; L6-L39 HydrophobicContact CD1-CB 4.05Å; L6-Y55 HydrophobicContact CD1-CE1 4.06Å; L6-F56 HydrophobicContact CD2-CD2 4.37Å; L6-F56 HydrophobicContact CD2-CE1 4.03Å; L6-F56 HydrophobicContact CD2-CE2 3.84Å; L6-F56 HydrophobicContact CD2-CZ 3.65Å; L6-P61 HydrophobicContact CB-CB 3.73Å; L6-P61 HydrophobicContact CB-CG 4.14Å; L6-P61 HydrophobicContact CD2-CG 4.11Å; L6-Y63 PolarHBondContact N-O 2.94Å; L6-V64 HydrophobicContact CB-CG2 4.34Å; L6-V64 CarbonylContact O-C 3.56Å; L6-V64 VanDerWaalsContact O-CA 3.31Å; L6-V64 WeakPolarHBondContact O-CA 3.14Å; L6-I65 PolarHBondContact O-N 2.98Å
7V98.8Very high95.6Very high0 Ų031.7 Ų31.70%018%0.178CC..EExtended strand (participates in β ladder)trans-109.5102.4176.9-173.10000108.9V5 I18 W36 I37 F38 L39 I65 L67V5-V7 HydrophobicContact CG1-CG2 4.42Å; V7-I18 HydrophobicContact CG1-CD1 4.15Å; V7-W36 HydrophobicContact CG2-CE3 3.99Å; V7-W36 HydrophobicContact CG2-CZ3 4.22Å; V7-I37 PolarHBondContact N-O 2.85Å; V7-F38 HydrophobicContact CB-CD1 3.76Å; V7-F38 HydrophobicContact CB-CE1 4.04Å; V7-F38 HydrophobicContact CB-CG 4.41Å; V7-F38 HydrophobicContact CG1-CD1 3.94Å; V7-F38 HydrophobicContact CG1-CE1 4.12Å; V7-F38 HydrophobicContact CG2-CD1 4.03Å; V7-F38 HydrophobicContact CG2-CE1 3.84Å; V7-F38 HydrophobicContact CG2-CZ 4.34Å; V7-L39 WeakPolarHBondContact O-CB 3.18Å; V7-L39 PolarHBondContact O-N 3.38Å; V7-I65 CarbonylContact C-O 3.52Å; V7-I65 WeakPolarHBondContact CA-O 3.38Å; V7-I65 HydrophobicContact CG1-CB 4.4Å; V7-I65 HydrophobicContact CG1-CG2 4.37Å; V7-I65 HydrophobicContact CG2-CB 4.29Å; V7-I65 HydrophobicContact CG2-CD1 4.24Å; V7-L67 HydrophobicContact CG1-CD1 3.67Å; V7-L67 HydrophobicContact CG1-CG 4.27Å
8T98.7Very high95.7Very high0 Ų029.9 Ų29.90%017%0.168CC..EExtended strand (participates in β ladder)trans-74.7144.6172.8720000110.2G10 L39 L46 I65 H66 L67 A68 V95T8-G10 PolarHBondContact O-N 3.25Å; T8-L39 HydrophobicContact CG2-CD2 3.84Å; T8-L46 HydrophobicContact CG2-CD1 4.23Å; T8-I65 PolarHBondContact N-O 2.99Å; T8-H66 VanDerWaalsContact OG1-CA 3.26Å; T8-H66 WeakPolarHBondContact OG1-CA 3.33Å; T8-H66 PolarHBondContact OG1-ND1 2.9Å; T8-L67 WeakPolarHBondContact O-CA 3.3Å; T8-L67 WeakPolarHBondContact O-CB 3.3Å; T8-L67 PolarHBondContact O-N 3.13Å; T8-L67 VanDerWaalsContact O-N 3.15Å; T8-L67 PolarHBondContact OG1-N 3.25Å; T8-L67 VanDerWaalsContact OG1-N 3.15Å; T8-A68 PolarHBondContact O-N 3.05Å; T8-A68 PolarHBondContact OG1-N 3.32Å; T8-V95 HydrophobicContact CG2-CG1 4.47Å; T8-V95 HydrophobicContact CG2-CG2 4.38Å
9G97.8Very high95.7Very high19 Ų1932.1 Ų32.120%0.19617%0.173CC..THydrogen-bonded Turntrans69.423.8-174.700000112.5S11 G12 L39G9-S11 PolarHBondContact O-N 2.93Å; G9-S11 VanDerWaalsContact O-N 3.13Å; G9-G12 PolarHBondContact O-N 3.29Å; G9-L39 CarbonylContact C-O 3.59Å; G9-L39 PolarHBondContact N-O 3.39Å; G9-L39 VanDerWaalsContact N-O 3.08Å
10G97.8Very high95.6Very high0 Ų032.5 Ų32.50%018%0.175CC..THydrogen-bonded Turntrans-64.9-12.8-174.900000114.8T8 G15 R19 L39T8-G10 PolarHBondContact O-N 3.25Å; G10-G15 CarbonylContact O-C 3.57Å; G10-R19 PolarHBondContact O-NH2 3.01Å; G10-L39 PolarHBondContact N-O 2.92Å
11S96.5Very high95.6Very high58 Ų5831.1 Ų31.141%0.40617%0.168SC..THydrogen-bonded Turntrans-88.9-8173.958.40000114.3G9 N16 S40G9-S11 PolarHBondContact O-N 2.93Å; G9-S11 VanDerWaalsContact O-N 3.13Å; S11-N16 PolarHBondContact O-ND2 3.44Å; S11-N16 VanDerWaalsContact O-ND2 3.08Å; S11-S40 WeakPolarHBondContact OG-CB 3.3Å
12G96.3Very high96.6Very high17 Ų1721.9 Ų21.918%0.17512%0.123CC..SBendtrans-82-175.4179.500000113.8G9 V14 G15 N16G9-G12 PolarHBondContact O-N 3.29Å; G12-V14 PolarHBondContact O-N 3.31Å; G12-G15 PolarHBondContact O-N 3.23Å; G12-N16 PolarHBondContact O-N 3.15Å; G12-N16 PolarHBondContact O-ND2 3.07Å
13L97Very high96.6Very high19 Ų1922.1 Ų22.110%0.09912%0.124CC..Hα-helixtrans-51.7-56.8177.2172.162.3000112.2N16 G17 V171 P174 D176L13-N16 PolarHBondContact O-N 2.74Å; L13-G17 PolarHBondContact O-N 3.16Å; L13-V171 HydrophobicContact CD2-CB 3.88Å; L13-V171 HydrophobicContact CD2-CG1 3.68Å; L13-V171 HydrophobicContact CG-CG1 4.16Å; L13-P174 VanDerWaalsContact CD1-O 3.23Å; L13-P174 WeakPolarHBondContact CD1-O 3.36Å; L13-D176 HydrophobicContact CD1-CB 4.01Å; L13-D176 HydrophobicContact CD2-CB 4.41Å; L13-D176 WeakPolarHBondContact CD2-OD2 3.46Å
14V98.2Very high95.6Very high23 Ų2324.1 Ų24.114%0.13913%0.134CC..Hα-helixtrans-69.5-36.8-176.3-175.40000111.1G12 G17 I18 L67 V171 L221 I225G12-V14 PolarHBondContact O-N 3.31Å; V14-G17 PolarHBondContact O-N 2.74Å; V14-I18 WeakPolarHBondContact O-CG1 3.24Å; V14-I18 PolarHBondContact O-N 3.5Å; V14-L67 HydrophobicContact CB-CD1 4.01Å; V14-L67 HydrophobicContact CG1-CD1 3.8Å; V14-L67 HydrophobicContact CG1-CD2 3.94Å; V14-L67 HydrophobicContact CG1-CG 4.47Å; V14-V171 HydrophobicContact CG2-CG1 4.3Å; V14-L221 HydrophobicContact CG1-CD2 3.96Å; V14-L221 HydrophobicContact CG1-CG 4.38Å; V14-L221 HydrophobicContact CG2-CD2 3.99Å; V14-I225 HydrophobicContact CG1-CD1 3.44Å; V14-I225 VanDerWaalsContact CG1-CD1 3.44Å
15G98.3Very high93.3Very high1 Ų130.7 Ų30.71%0.0117%0.167CC..Hα-helixtrans-59.9-46.4175.700000112.7G10 G12 I18 R19 F38G10-G15 CarbonylContact O-C 3.57Å; G12-G15 PolarHBondContact O-N 3.23Å; G15-I18 PolarHBondContact O-N 3.05Å; G15-R19 PolarHBondContact O-N 3.46Å; G15-F38 WeakPolarHBondContact O-CE1 3.26Å
16N97.2Very high91.1Very high12 Ų1239 Ų396%0.06421%0.211CC..Hα-helixtrans-70.8-32.7172.9-72.4-68.1000112.4S11 G12 L13 I18 R19 L20 F175S11-N16 PolarHBondContact O-ND2 3.44Å; S11-N16 VanDerWaalsContact O-ND2 3.08Å; G12-N16 PolarHBondContact O-N 3.15Å; G12-N16 PolarHBondContact O-ND2 3.07Å; L13-N16 PolarHBondContact O-N 2.74Å; N16-I18 VanDerWaalsContact C-N 3.29Å; N16-I18 PolarHBondContact O-N 3.37Å; N16-R19 WeakPolarHBondContact O-CB 3.43Å; N16-R19 PolarHBondContact O-N 2.58Å; N16-R19 VanDerWaalsContact O-N 3.1Å; N16-R19 PolarHBondContact OD1-NH1 3.44Å; N16-L20 WeakPolarHBondContact O-CB 3.41Å; N16-L20 WeakPolarHBondContact O-CG 3.37Å; N16-L20 PolarHBondContact O-N 3.18Å; N16-F175 HydrophobicContact CB-CB 3.99Å; N16-F175 HydrophobicContact CB-CD2 3.35Å; N16-F175 HydrophobicContact CB-CE2 3.93Å; N16-F175 HydrophobicContact CB-CG 3.75Å
17G97.1Very high89.3Confident0 Ų040.7 Ų40.70%023%0.229CC..Hα-helixtrans-56.1-42.3171.300000112.6L13 V14 A21 S218L13-G17 PolarHBondContact O-N 3.16Å; V14-G17 PolarHBondContact O-N 2.74Å; G17-A21 VanDerWaalsContact O-CB 3.31Å; G17-A21 WeakPolarHBondContact O-CB 3.31Å; G17-A21 PolarHBondContact O-N 2.94Å; G17-S218 WeakPolarHBondContact CA-O 3.23Å
18I97.3Very high87.7Confident0 Ų045.9 Ų45.90%026%0.263CS..Hα-helixtrans-64.4-44.7172.3-64.9167.7000111.2V7 V14 G15 N16 A21 L22 W36 F38 I65 L67 I225 I226V7-I18 HydrophobicContact CG1-CD1 4.15Å; V14-I18 WeakPolarHBondContact O-CG1 3.24Å; V14-I18 PolarHBondContact O-N 3.5Å; G15-I18 PolarHBondContact O-N 3.05Å; N16-I18 VanDerWaalsContact C-N 3.29Å; N16-I18 PolarHBondContact O-N 3.37Å; I18-A21 PolarHBondContact O-N 2.85Å; I18-L22 HydrophobicContact CG2-CD1 4Å; I18-L22 HydrophobicContact CG2-CG 4.41Å; I18-L22 WeakPolarHBondContact O-CG 3.18Å; I18-L22 PolarHBondContact O-N 3.3Å; I18-W36 HydrophobicContact CG2-CE3 4.38Å; I18-W36 HydrophobicContact CG2-CZ3 3.99Å; I18-F38 HydrophobicContact CB-CE1 4.18Å; I18-F38 HydrophobicContact CG2-CE1 3.94Å; I18-F38 HydrophobicContact CG2-CZ 3.99Å; I18-I65 HydrophobicContact CD1-CD1 4.39Å; I18-I65 HydrophobicContact CD1-CG2 4.08Å; I18-L67 HydrophobicContact CD1-CD1 3.82Å; I18-I225 HydrophobicContact CD1-CB 4.4Å; I18-I225 HydrophobicContact CD1-CD1 4.09Å; I18-I225 HydrophobicContact CD1-CG2 3.82Å; I18-I225 HydrophobicContact CG1-CB 4.43Å; I18-I225 HydrophobicContact CG1-CD1 4.27Å; I18-I225 HydrophobicContact CG1-CG2 4.32Å; I18-I226 HydrophobicContact CG2-CD1 4.22Å; I18-I226 HydrophobicContact CG2-CG1 4.23Å
19R95.8Very high87.1Confident71 Ų7147.8 Ų47.827%0.26827%0.273SS..Hα-helixtrans-58.4-51.3177.1-69.1179-172160.1-7.8111.5G10 G15 N16 A21 L22 E23 F38G10-R19 PolarHBondContact O-NH2 3.01Å; G15-R19 PolarHBondContact O-N 3.46Å; N16-R19 WeakPolarHBondContact O-CB 3.43Å; N16-R19 PolarHBondContact O-N 2.58Å; N16-R19 VanDerWaalsContact O-N 3.1Å; N16-R19 PolarHBondContact OD1-NH1 3.44Å; R19-A21 VanDerWaalsContact C-N 3.29Å; R19-A21 PolarHBondContact O-N 3.49Å; R19-L22 WeakPolarHBondContact O-CB 3.27Å; R19-L22 PolarHBondContact O-N 3.1Å; R19-E23 WeakPolarHBondContact O-CB 3.07Å; R19-E23 VanDerWaalsContact O-CG 3.32Å; R19-E23 WeakPolarHBondContact O-CG 3.27Å; R19-E23 PolarHBondContact O-N 3.5Å; R19-F38 HydrophobicContact CB-CZ 4.43Å; R19-F38 HydrophobicContact CG-CD1 3.86Å; R19-F38 HydrophobicContact CG-CD2 4.05Å; R19-F38 HydrophobicContact CG-CE1 3.5Å; R19-F38 VanDerWaalsContact CG-CE1 3.5Å; R19-F38 HydrophobicContact CG-CE2 3.7Å; R19-F38 HydrophobicContact CG-CG 4.13Å; R19-F38 HydrophobicContact CG-CZ 3.42Å; R19-F38 VanDerWaalsContact CG-CZ 3.42Å; R19-F38 VanDerWaalsContact NE-CG 3.34Å
20L94.8Very high86.5Confident39 Ų3952.6 Ų52.620%0.20429%0.288CS..Hα-helixtrans-59.1-41.2177.4-68.7174.3000110.9N16 L22 E23 N24 P174 F175 V219N16-L20 WeakPolarHBondContact O-CB 3.41Å; N16-L20 WeakPolarHBondContact O-CG 3.37Å; N16-L20 PolarHBondContact O-N 3.18Å; L20-L22 PolarHBondContact O-N 2.82Å; L20-E23 PolarHBondContact O-N 3.36Å; L20-N24 WeakPolarHBondContact O-CA 3.46Å; L20-N24 WeakPolarHBondContact O-CB 3.45Å; L20-N24 PolarHBondContact O-N 3.32Å; L20-N24 PolarHBondContact O-ND2 3.36Å; L20-N24 VanDerWaalsContact O-ND2 3.11Å; L20-P174 HydrophobicContact CD1-CB 4.13Å; L20-P174 HydrophobicContact CD1-CG 4.21Å; L20-F175 HydrophobicContact CD1-CE2 4.26Å; L20-V219 HydrophobicContact CB-CG2 3.94Å; L20-V219 HydrophobicContact CD1-CG2 3.95Å
21A94.6Very high86.2Confident5 Ų558 Ų584%0.04131%0.309CS..Hα-helixtrans-63.8-37.2175.100000113G17 I18 R19 E23 L29 V219 H223 I226G17-A21 VanDerWaalsContact O-CB 3.31Å; G17-A21 WeakPolarHBondContact O-CB 3.31Å; G17-A21 PolarHBondContact O-N 2.94Å; I18-A21 PolarHBondContact O-N 2.85Å; R19-A21 VanDerWaalsContact C-N 3.29Å; R19-A21 PolarHBondContact O-N 3.49Å; A21-E23 VanDerWaalsContact C-N 3.34Å; A21-L29 HydrophobicContact CB-CD1 4.22Å; A21-L29 WeakPolarHBondContact O-CD1 3.45Å; A21-V219 HydrophobicContact CB-CG1 4.34Å; A21-H223 HydrophobicContact CB-CB 4.41Å; A21-I226 HydrophobicContact CB-CD1 4.02Å
22L94.5Very high85.9Confident13 Ų1363.7 Ų63.77%0.06833%0.334CS..Hα-helixtrans-69.4-30.5174.6-70.2167.6000112.9I18 R19 L20 L29 K30 W36 F38 I226I18-L22 HydrophobicContact CG2-CD1 4Å; I18-L22 HydrophobicContact CG2-CG 4.41Å; I18-L22 WeakPolarHBondContact O-CG 3.18Å; I18-L22 PolarHBondContact O-N 3.3Å; R19-L22 WeakPolarHBondContact O-CB 3.27Å; R19-L22 PolarHBondContact O-N 3.1Å; L20-L22 PolarHBondContact O-N 2.82Å; L22-L29 HydrophobicContact CD2-CB 4.31Å; L22-K30 HydrophobicContact CB-CB 4.49Å; L22-K30 HydrophobicContact CD2-CB 4.15Å; L22-W36 HydrophobicContact CD1-CB 4.49Å; L22-W36 HydrophobicContact CD1-CD2 3.58Å; L22-W36 HydrophobicContact CD1-CE3 3.82Å; L22-W36 HydrophobicContact CD1-CG 3.88Å; L22-W36 HydrophobicContact CD1-CZ2 4.4Å; L22-W36 HydrophobicContact CD1-CZ3 4.3Å; L22-W36 HydrophobicContact CD2-CD2 4.44Å; L22-W36 HydrophobicContact CD2-CH2 4.49Å; L22-W36 HydrophobicContact CD2-CZ2 3.91Å; L22-F38 HydrophobicContact CD1-CE2 4.43Å; L22-F38 HydrophobicContact CD1-CZ 3.93Å; L22-I226 HydrophobicContact CD2-CD1 3.68Å; L22-I226 HydrophobicContact CD2-CG1 4.39Å; L22-I226 HydrophobicContact CG-CD1 3.78Å
23E88.7Confident85.7Confident147 Ų14766.7 Ų66.769%0.68735%0.346SS*.Hα-helixtrans-89.8-19.3-178-69.4168.5-17500113.7R19 L20 A21R19-E23 WeakPolarHBondContact O-CB 3.07Å; R19-E23 VanDerWaalsContact O-CG 3.32Å; R19-E23 WeakPolarHBondContact O-CG 3.27Å; R19-E23 PolarHBondContact O-N 3.5Å; L20-E23 PolarHBondContact O-N 3.36Å; A21-E23 VanDerWaalsContact C-N 3.34Å
24N72.8Confident85.5Confident63 Ų6366.6 Ų66.634%0.33735%0.345SS..  trans-75.4163.8-164.1-103-33.9000117.6L20 N26 V219L20-N24 WeakPolarHBondContact O-CA 3.46Å; L20-N24 WeakPolarHBondContact O-CB 3.45Å; L20-N24 PolarHBondContact O-N 3.32Å; L20-N24 PolarHBondContact O-ND2 3.36Å; L20-N24 VanDerWaalsContact O-ND2 3.11Å; N24-N26 PolarHBondContact O-N 2.64Å; N24-V219 VanDerWaalsContact ND2-CG1 3.25Å; N24-V219 WeakPolarHBondContact ND2-CG1 3.33Å
25I50.8Low85.4Confident157 Ų15770.7 Ų70.781%0.80536%0.361SS*.THydrogen-bonded Turntrans-71-17.4-160.7-59.1166000115.3G27I25-G27 PolarHBondContact O-N 3.23Å
26N51.7Low85.4Confident174 Ų17472.1 Ų72.193%0.9337%0.366SS*.THydrogen-bonded Turntrans-80.418.8-179.1-69.5-24.5000113.9N24N24-N26 PolarHBondContact O-N 2.64Å
27G61.5Low85.4Confident37 Ų3772.8 Ų72.838%0.38137%0.37SS..SBendtrans106.6136-173.900000110.5I25 L29I25-G27 PolarHBondContact O-N 3.23Å; G27-L29 PolarHBondContact O-N 3.19Å
28P64.6Low85.5Confident108 Ų10874.9 Ų74.970%0.70138%0.379SS*.  trans-64110.7-178.225.5-32.4000109.5K30P28-K30 PolarHBondContact O-N 2.65Å
29L86.4Confident85.5Confident40 Ų4074.9 Ų74.921%0.20938%0.379CS..  trans-62.7-21.5170.2-71.2-179.6000111.1A21 L22 G27 R31 H223 I226 R230A21-L29 HydrophobicContact CB-CD1 4.22Å; A21-L29 WeakPolarHBondContact O-CD1 3.45Å; L22-L29 HydrophobicContact CD2-CB 4.31Å; G27-L29 PolarHBondContact O-N 3.19Å; L29-R31 PolarHBondContact O-N 2.93Å; L29-H223 HydrophobicContact CD1-CB 4.02Å; L29-I226 HydrophobicContact CB-CD1 4.45Å; L29-I226 HydrophobicContact CD1-CD1 3.82Å; L29-R230 VanDerWaalsContact O-CZ 3.27Å; L29-R230 PolarHBondContact O-NH1 2.89Å; L29-R230 PolarHBondContact O-NH2 3.28Å
30K85.5Confident85.6Confident121 Ų12172.6 Ų72.653%0.52637%0.374SS..  trans-67.4121.4179.6-171.4175.6-178.9179.60111.1L22 P28L22-K30 HydrophobicContact CB-CB 4.49Å; L22-K30 HydrophobicContact CD2-CB 4.15Å; P28-K30 PolarHBondContact O-N 2.65Å
31R90.8Very high85.6Confident113 Ų11375.7 Ų75.743%0.42640%0.399SS..  trans-90.6144.4173.7-59.1176.5177.3165.5-4.8109.8L29 N33 E34 E231L29-R31 PolarHBondContact O-N 2.93Å; R31-N33 WeakPolarHBondContact CB-OD1 3.32Å; R31-N33 PolarHBondContact O-N 3.21Å; R31-N33 VanDerWaalsContact O-N 3.15Å; R31-E34 HydrophobicContact CB-CG 4.02Å; R31-E34 WeakPolarHBondContact CD-OE1 3.47Å; R31-E34 PolarHBondContact N-OE2 3.05Å; R31-E34 PolarHBondContact O-N 2.93Å; R31-E34 VanDerWaalsContact O-N 3.1Å; R31-E231 IonicContact NH2-OE1 3.24Å
32N89.1Confident85.6Confident177 Ų17784.9 Ų84.995%0.94744%0.438SS*.THydrogen-bonded Turntrans-62.3-23-176.6-72.6-18.9000114.2E34N32-E34 VanDerWaalsContact C-N 3.34Å
33N92.2Very high85.8Confident80 Ų8088.3 Ų88.343%0.42846%0.456SS..THydrogen-bonded Turntrans-92.711.3179.468.3-45.7000113.4T3 R31T3-N33 PolarHBondContact N-O 3.07Å; R31-N33 WeakPolarHBondContact CB-OD1 3.32Å; R31-N33 PolarHBondContact O-N 3.21Å; R31-N33 VanDerWaalsContact O-N 3.15Å
34E94.4Very high86.2Confident17 Ų1782 Ų828%0.07943%0.427CS..EExtended strand (participates in β ladder)trans-114.4122.8-179.7-65.6173.6171.400111.9T3 R31 N32 W36 R230T3-E34 CarbonylContact O-C 3.54Å; T3-E34 WeakPolarHBondContact O-CA 3.22Å; R31-E34 HydrophobicContact CB-CG 4.02Å; R31-E34 WeakPolarHBondContact CD-OE1 3.47Å; R31-E34 PolarHBondContact N-OE2 3.05Å; R31-E34 PolarHBondContact O-N 2.93Å; R31-E34 VanDerWaalsContact O-N 3.1Å; N32-E34 VanDerWaalsContact C-N 3.34Å; E34-W36 PolarHBondContact OE2-NE1 3.21Å; E34-R230 IonicContact OE1-CZ 3.85Å; E34-R230 IonicContact OE1-NE 3.9Å; E34-R230 PolarHBondContact OE1-NE 3.08Å; E34-R230 VanDerWaalsContact OE1-NE 3.1Å; E34-R230 IonicContact OE1-NH2 2.68Å; E34-R230 PolarHBondContact OE1-NH2 2.74Å; E34-R230 IonicContact OE2-CZ 3.87Å; E34-R230 IonicContact OE2-NH2 3.78Å; E34-R230 PolarHBondContact OE2-NH2 3.4Å
35K96.1Very high87.4Confident109 Ų10983.1 Ų83.147%0.47443%0.434SS..EExtended strand (participates in β ladder)trans-98.7117.6169-178.6179.7-179.5-179.60109.4T3 T4 V5 I37T3-K35 PolarHBondContact O-N 2.74Å; T4-K35 CarbonylContact C-O 3.54Å; T4-K35 WeakPolarHBondContact CA-O 3.26Å; V5-K35 PolarHBondContact N-O 2.83Å; K35-I37 HydrophobicContact CG-CG1 4.38Å
36W97.2Very high89.7Confident31 Ų3176.3 Ų76.312%0.11740%0.399CS..EExtended strand (participates in β ladder)trans-101.9125.5179.3-67.679.4000110.4V5 V7 I18 L22 E34 F38 I65 I226 L229V5-W36 HydrophobicContact CB-CD2 4.03Å; V5-W36 HydrophobicContact CB-CE3 3.84Å; V5-W36 HydrophobicContact CB-CH2 4.41Å; V5-W36 HydrophobicContact CB-CZ3 4.07Å; V5-W36 HydrophobicContact CG1-CD2 4.42Å; V5-W36 HydrophobicContact CG1-CE3 3.76Å; V5-W36 HydrophobicContact CG1-CH2 4.04Å; V5-W36 HydrophobicContact CG1-CZ3 3.56Å; V5-W36 HydrophobicContact CG2-CD2 4.34Å; V5-W36 HydrophobicContact CG2-CE3 4.46Å; V5-W36 HydrophobicContact CG2-CH2 4.33Å; V5-W36 HydrophobicContact CG2-CZ2 4.19Å; V5-W36 HydrophobicContact CG2-CZ3 4.48Å; V7-W36 HydrophobicContact CG2-CE3 3.99Å; V7-W36 HydrophobicContact CG2-CZ3 4.22Å; I18-W36 HydrophobicContact CG2-CE3 4.38Å; I18-W36 HydrophobicContact CG2-CZ3 3.99Å; L22-W36 HydrophobicContact CD1-CB 4.49Å; L22-W36 HydrophobicContact CD1-CD2 3.58Å; L22-W36 HydrophobicContact CD1-CE3 3.82Å; L22-W36 HydrophobicContact CD1-CG 3.88Å; L22-W36 HydrophobicContact CD1-CZ2 4.4Å; L22-W36 HydrophobicContact CD1-CZ3 4.3Å; L22-W36 HydrophobicContact CD2-CD2 4.44Å; L22-W36 HydrophobicContact CD2-CH2 4.49Å; L22-W36 HydrophobicContact CD2-CZ2 3.91Å; E34-W36 PolarHBondContact OE2-NE1 3.21Å; W36-F38 HydrophobicContact CB-CD2 4.47Å; W36-F38 HydrophobicContact CB-CE2 3.75Å; W36-F38 HydrophobicContact CB-CZ 4.37Å; W36-F38 HydrophobicContact CE3-CZ 4.26Å; W36-I65 HydrophobicContact CH2-CD1 4.2Å; W36-I65 HydrophobicContact CZ3-CD1 3.7Å; W36-I226 HydrophobicContact CH2-CG1 3.93Å; W36-L229 HydrophobicContact CH2-CD2 3.82Å; W36-L229 HydrophobicContact CZ2-CD2 4.37Å
37I98Very high91.9Very high27 Ų2770.2 Ų70.214%0.13837%0.368CS..EExtended strand (participates in β ladder)trans-118.6116.3179.7-60.6172.1000108.3T4 V5 L6 V7 K35 I59T4-I37 HydrophobicContact CG2-CD1 3.67Å; T4-I37 HydrophobicContact CG2-CG1 4.41Å; V5-I37 PolarHBondContact O-N 3.41Å; L6-I37 HydrophobicContact CD1-CB 4.16Å; L6-I37 HydrophobicContact CD1-CG2 3.86Å; V7-I37 PolarHBondContact N-O 2.85Å; K35-I37 HydrophobicContact CG-CG1 4.38Å; I37-I59 HydrophobicContact CD1-CD1 4.21Å; I37-I59 HydrophobicContact CD1-CG2 3.47Å; I37-I59 VanDerWaalsContact CD1-CG2 3.47Å
38F98.3Very high93.6Very high43 Ų4371.8 Ų71.819%0.18937%0.368CS..EExtended strand (participates in β ladder)trans-103.2105.2-178.3-68.1-92000110.5V7 G15 I18 R19 L22 W36V7-F38 HydrophobicContact CB-CD1 3.76Å; V7-F38 HydrophobicContact CB-CE1 4.04Å; V7-F38 HydrophobicContact CB-CG 4.41Å; V7-F38 HydrophobicContact CG1-CD1 3.94Å; V7-F38 HydrophobicContact CG1-CE1 4.12Å; V7-F38 HydrophobicContact CG2-CD1 4.03Å; V7-F38 HydrophobicContact CG2-CE1 3.84Å; V7-F38 HydrophobicContact CG2-CZ 4.34Å; G15-F38 WeakPolarHBondContact O-CE1 3.26Å; I18-F38 HydrophobicContact CB-CE1 4.18Å; I18-F38 HydrophobicContact CG2-CE1 3.94Å; I18-F38 HydrophobicContact CG2-CZ 3.99Å; R19-F38 HydrophobicContact CB-CZ 4.43Å; R19-F38 HydrophobicContact CG-CD1 3.86Å; R19-F38 HydrophobicContact CG-CD2 4.05Å; R19-F38 HydrophobicContact CG-CE1 3.5Å; R19-F38 VanDerWaalsContact CG-CE1 3.5Å; R19-F38 HydrophobicContact CG-CE2 3.7Å; R19-F38 HydrophobicContact CG-CG 4.13Å; R19-F38 HydrophobicContact CG-CZ 3.42Å; R19-F38 VanDerWaalsContact CG-CZ 3.42Å; R19-F38 VanDerWaalsContact NE-CG 3.34Å; L22-F38 HydrophobicContact CD1-CE2 4.43Å; L22-F38 HydrophobicContact CD1-CZ 3.93Å; W36-F38 HydrophobicContact CB-CD2 4.47Å; W36-F38 HydrophobicContact CB-CE2 3.75Å; W36-F38 HydrophobicContact CB-CZ 4.37Å; W36-F38 HydrophobicContact CE3-CZ 4.26Å
39L97.5Very high95.2Very high1 Ų169.6 Ų69.61%0.00536%0.355CS..EExtended strand (participates in β ladder)trans-88.9137.4-174.9178.283.7000111.7L6 V7 T8 G9 G10 D43 V44 L46 Y55L6-L39 HydrophobicContact CD1-CB 4.05Å; V7-L39 WeakPolarHBondContact O-CB 3.18Å; V7-L39 PolarHBondContact O-N 3.38Å; T8-L39 HydrophobicContact CG2-CD2 3.84Å; G9-L39 CarbonylContact C-O 3.59Å; G9-L39 PolarHBondContact N-O 3.39Å; G9-L39 VanDerWaalsContact N-O 3.08Å; G10-L39 PolarHBondContact N-O 2.92Å; L39-D43 HydrophobicContact CD1-CB 3.36Å; L39-D43 HydrophobicContact CG-CB 4.33Å; L39-V44 HydrophobicContact CD1-CB 4.48Å; L39-V44 HydrophobicContact CD1-CG1 3.67Å; L39-V44 HydrophobicContact CD2-CG1 3.64Å; L39-V44 HydrophobicContact CG-CG1 4.02Å; L39-L46 HydrophobicContact CD2-CD1 4.11Å; L39-L46 HydrophobicContact CD2-CD2 4.13Å; L39-L46 HydrophobicContact CD2-CG 4.39Å; L39-Y55 HydrophobicContact CD1-CD1 4.23Å; L39-Y55 HydrophobicContact CD1-CD2 4.25Å; L39-Y55 HydrophobicContact CD1-CE1 3.58Å; L39-Y55 HydrophobicContact CD1-CE2 3.56Å; L39-Y55 VanDerWaalsContact CD1-OH 3.3Å; L39-Y55 WeakPolarHBondContact CD1-OH 3.35Å
40S97.2Very high95.8Very high22 Ų2273.7 Ų73.715%0.15438%0.377CS..  trans-119.5173.2170.8750000111.7S11 K42 D43 V44S11-S40 WeakPolarHBondContact OG-CB 3.3Å; S40-K42 PolarHBondContact O-N 3.2Å; S40-K42 PolarHBondContact OG-N 2.93Å; S40-D43 WeakPolarHBondContact CA-OD2 3.41Å; S40-D43 WeakPolarHBondContact CB-OD2 3.34Å; S40-D43 PolarHBondContact N-OD2 2.81Å; S40-D43 WeakPolarHBondContact O-CB 3.33Å; S40-D43 PolarHBondContact O-N 3.21Å; S40-D43 PolarHBondContact OG-OD2 2.73Å; S40-V44 PolarHBondContact O-N 2.71Å
41S95.1Very high96.4Very high104 Ų10469.5 Ų69.573%0.72737%0.365SS*.THydrogen-bonded Turntrans-64.7-15.7173520000114D43S41-D43 VanDerWaalsContact C-N 3.27Å
42K95.9Very high96.8Very high199 Ų19964.1 Ų64.187%0.86535%0.345SS*.THydrogen-bonded Turntrans-73.1-22.4172.3-64.9-178.3177.3179.90112.4S40S40-K42 PolarHBondContact O-N 3.2Å; S40-K42 PolarHBondContact OG-N 2.93Å
43D97.1Very high97.3Very high85 Ų8559.4 Ų59.446%0.45531%0.313SS..THydrogen-bonded Turntrans-89.6-40.4-178.2-57.5-78.1000111.8L39 S40 S41 Y55L39-D43 HydrophobicContact CD1-CB 3.36Å; L39-D43 HydrophobicContact CG-CB 4.33Å; S40-D43 WeakPolarHBondContact CA-OD2 3.41Å; S40-D43 WeakPolarHBondContact CB-OD2 3.34Å; S40-D43 PolarHBondContact N-OD2 2.81Å; S40-D43 WeakPolarHBondContact O-CB 3.33Å; S40-D43 PolarHBondContact O-N 3.21Å; S40-D43 PolarHBondContact OG-OD2 2.73Å; S41-D43 VanDerWaalsContact C-N 3.27Å; D43-Y55 HydrophobicContact CB-CE2 4.1Å
44V97.6Very high97.6Very high13 Ų1358.2 Ų58.28%0.07932%0.315CS..  trans-157.6138.3177.472.20000110.4L39 S40 L46 A51 Y55L39-V44 HydrophobicContact CD1-CB 4.48Å; L39-V44 HydrophobicContact CD1-CG1 3.67Å; L39-V44 HydrophobicContact CD2-CG1 3.64Å; L39-V44 HydrophobicContact CG-CG1 4.02Å; S40-V44 PolarHBondContact O-N 2.71Å; V44-L46 HydrophobicContact CG1-CD2 3.62Å; V44-L46 HydrophobicContact CG1-CG 3.96Å; V44-L46 PolarHBondContact O-N 2.95Å; V44-A51 HydrophobicContact CG2-CB 3.83Å; V44-A51 WeakPolarHBondContact CG2-O 3.44Å; V44-Y55 HydrophobicContact CB-CD2 3.97Å; V44-Y55 HydrophobicContact CB-CG 4.32Å; V44-Y55 HydrophobicContact CG1-CD2 4.34Å; V44-Y55 HydrophobicContact CG1-CG 4.39Å
45N98.1Very high97.8Very high88 Ų8858.3 Ų58.347%0.47132%0.315SS..  trans-80.3107.1166.2179.912.5000109.5T47 D48N45-T47 VanDerWaalsContact CG-OG1 3.31Å; N45-T47 PolarHBondContact ND2-OG1 2.89Å; N45-T47 PolarHBondContact O-N 3.29Å; N45-T47 PolarHBondContact OD1-N 3.12Å; N45-T47 VanDerWaalsContact OD1-N 3.14Å; N45-T47 PolarHBondContact OD1-OG1 3.26Å; N45-D48 PolarHBondContact O-N 3.36Å; N45-D48 VanDerWaalsContact O-N 3.1Å
46L98.6Very high97.9Very high14 Ų1453.2 Ų53.27%0.07329%0.292CS..THydrogen-bonded Turntrans-71.6-7.9-177.4-67.8172.9000114.4T8 L39 V44 D48 T52 A68 I91 N94 V95T8-L46 HydrophobicContact CG2-CD1 4.23Å; L39-L46 HydrophobicContact CD2-CD1 4.11Å; L39-L46 HydrophobicContact CD2-CD2 4.13Å; L39-L46 HydrophobicContact CD2-CG 4.39Å; V44-L46 HydrophobicContact CG1-CD2 3.62Å; V44-L46 HydrophobicContact CG1-CG 3.96Å; V44-L46 PolarHBondContact O-N 2.95Å; L46-D48 VanDerWaalsContact C-N 3.28Å; L46-T52 WeakPolarHBondContact CA-OG1 3.26Å; L46-T52 HydrophobicContact CD2-CG2 3.75Å; L46-A68 HydrophobicContact CD1-CB 3.43Å; L46-A68 VanDerWaalsContact CD1-CB 3.43Å; L46-I91 HydrophobicContact CB-CB 4.47Å; L46-I91 HydrophobicContact CB-CG1 4.07Å; L46-I91 HydrophobicContact CB-CG2 4.08Å; L46-I91 HydrophobicContact CD1-CG2 4.44Å; L46-N94 PolarHBondContact O-ND2 3.02Å; L46-V95 HydrophobicContact CD1-CG2 4.11Å; L46-V95 HydrophobicContact CD2-CG2 3.86Å; L46-V95 HydrophobicContact CG-CG2 4.44Å
47T98.3Very high97.9Very high46 Ų4657 Ų5728%0.28231%0.311SS..THydrogen-bonded Turntrans-77-18.4170.1700000112.2N45 Q87 I91 N94N45-T47 VanDerWaalsContact CG-OG1 3.31Å; N45-T47 PolarHBondContact ND2-OG1 2.89Å; N45-T47 PolarHBondContact O-N 3.29Å; N45-T47 PolarHBondContact OD1-N 3.12Å; N45-T47 VanDerWaalsContact OD1-N 3.14Å; N45-T47 PolarHBondContact OD1-OG1 3.26Å; T47-Q87 HydrophobicContact CG2-CB 4.48Å; T47-I91 HydrophobicContact CG2-CD1 4.07Å; T47-I91 HydrophobicContact CG2-CG1 3.78Å; T47-N94 VanDerWaalsContact C-ND2 3.29Å; T47-N94 PolarHBondContact O-ND2 3.16Å; T47-N94 VanDerWaalsContact O-ND2 3.16Å
48D98.5Very high97.9Very high70 Ų7063.6 Ų63.637%0.37433%0.334SS..  trans-90.2115.3177.2-178.3-29.3000109.7N45 L46 N50 A51 T52N45-D48 PolarHBondContact O-N 3.36Å; N45-D48 VanDerWaalsContact O-N 3.1Å; L46-D48 VanDerWaalsContact C-N 3.28Å; D48-N50 WeakPolarHBondContact OD1-CB 3.37Å; D48-N50 PolarHBondContact OD1-N 3.45Å; D48-A51 HydrophobicContact CB-CB 3.86Å; D48-A51 PolarHBondContact OD1-N 3.11Å; D48-T52 WeakPolarHBondContact O-CB 3.34Å; D48-T52 PolarHBondContact O-N 2.88Å; D48-T52 PolarHBondContact O-OG1 3.23Å
49S98.3Very high97.9Very high61 Ų6163.1 Ų63.143%0.42733%0.334SS..Hα-helixtrans-65.4-39.6-177.257.70000112.7R53 N94S49-R53 WeakPolarHBondContact O-CB 3.23Å; S49-R53 PolarHBondContact O-N 3.02Å; S49-N94 WeakPolarHBondContact CA-OD1 3.43Å; S49-N94 WeakPolarHBondContact CB-OD1 3.25Å; S49-N94 PolarHBondContact N-ND2 2.86Å
50N98.5Very high97.9Very high127 Ų12771.8 Ų71.868%0.67937%0.366SS*.Hα-helixtrans-69.9-45.5-179.4-69.3-29.5000110.6D48 T52 R53 A54D48-N50 WeakPolarHBondContact OD1-CB 3.37Å; D48-N50 PolarHBondContact OD1-N 3.45Å; N50-T52 VanDerWaalsContact C-N 3.33Å; N50-T52 PolarHBondContact O-N 2.72Å; N50-R53 PolarHBondContact O-N 3.26Å; N50-A54 WeakPolarHBondContact O-CB 3.48Å; N50-A54 PolarHBondContact O-N 3.4Å
51A98.5Very high98Very high33 Ų3370.9 Ų70.927%0.27336%0.36SS..Hα-helixtrans-63.1-41.7177.400000111.3V44 D48 Y55V44-A51 HydrophobicContact CG2-CB 3.83Å; V44-A51 WeakPolarHBondContact CG2-O 3.44Å; D48-A51 HydrophobicContact CB-CB 3.86Å; D48-A51 PolarHBondContact OD1-N 3.11Å; A51-Y55 WeakPolarHBondContact O-CB 3.33Å; A51-Y55 PolarHBondContact O-N 3.29Å
52T98.8Very high98.1Very high0 Ų067.5 Ų67.50%034%0.335CS..Hα-helixtrans-62.6-49.3176.4-56.10000111L46 D48 N50 A54 Y55 F56 N94 V95L46-T52 WeakPolarHBondContact CA-OG1 3.26Å; L46-T52 HydrophobicContact CD2-CG2 3.75Å; D48-T52 WeakPolarHBondContact O-CB 3.34Å; D48-T52 PolarHBondContact O-N 2.88Å; D48-T52 PolarHBondContact O-OG1 3.23Å; N50-T52 VanDerWaalsContact C-N 3.33Å; N50-T52 PolarHBondContact O-N 2.72Å; T52-A54 PolarHBondContact O-N 2.8Å; T52-Y55 PolarHBondContact O-N 3.43Å; T52-F56 HydrophobicContact CG2-CD2 3.95Å; T52-F56 HydrophobicContact CG2-CE2 3.9Å; T52-F56 VanDerWaalsContact O-CD2 3.28Å; T52-F56 WeakPolarHBondContact O-CD2 3.47Å; T52-F56 PolarHBondContact O-N 3.37Å; T52-N94 HydrophobicContact CG2-CB 3.97Å; T52-V95 HydrophobicContact CG2-CG2 4.49Å
53R98.6Very high98.2Very high77 Ų7761 Ų6129%0.29131%0.305SS..Hα-helixtrans-58.9-50179.2-17756.456.6105.41.2112S49 N50 Y55 F56 E57 S97 S98S49-R53 WeakPolarHBondContact O-CB 3.23Å; S49-R53 PolarHBondContact O-N 3.02Å; N50-R53 PolarHBondContact O-N 3.26Å; R53-Y55 VanDerWaalsContact C-N 3.27Å; R53-Y55 PolarHBondContact O-N 3Å; R53-F56 PolarHBondContact O-N 3.1Å; R53-F56 VanDerWaalsContact O-N 3.14Å; R53-E57 WeakPolarHBondContact CD-OE1 3.42Å; R53-E57 HydrophobicContact CG-CG 4.48Å; R53-E57 WeakPolarHBondContact CG-OE1 3.15Å; R53-E57 WeakPolarHBondContact O-CG 3.47Å; R53-E57 PolarHBondContact O-N 2.96Å; R53-S97 PolarHBondContact NH2-O 3.24Å; R53-S98 PolarHBondContact NE-OG 3.07Å; R53-S98 VanDerWaalsContact NE-OG 3.09Å
54A98.5Very high98.3Very high55 Ų5556.9 Ų56.946%0.45528%0.283SS..Hα-helixtrans-59.8-37.5178.700000112.3N50 T52 R58N50-A54 WeakPolarHBondContact O-CB 3.48Å; N50-A54 PolarHBondContact O-N 3.4Å; T52-A54 PolarHBondContact O-N 2.8Å; A54-R58 WeakPolarHBondContact O-CB 3.23Å; A54-R58 PolarHBondContact O-N 3.28Å; A54-R58 VanDerWaalsContact O-N 3.13Å
55Y98.5Very high98.3Very high20 Ų2056.3 Ų56.38%0.07828%0.28CS..Hα-helixtrans-65.3-45.4175.7-167.3-79.8000111.7L6 L39 D43 V44 A51 T52 R53 R58 I59L6-Y55 HydrophobicContact CD1-CE1 4.06Å; L39-Y55 HydrophobicContact CD1-CD1 4.23Å; L39-Y55 HydrophobicContact CD1-CD2 4.25Å; L39-Y55 HydrophobicContact CD1-CE1 3.58Å; L39-Y55 HydrophobicContact CD1-CE2 3.56Å; L39-Y55 VanDerWaalsContact CD1-OH 3.3Å; L39-Y55 WeakPolarHBondContact CD1-OH 3.35Å; D43-Y55 HydrophobicContact CB-CE2 4.1Å; V44-Y55 HydrophobicContact CB-CD2 3.97Å; V44-Y55 HydrophobicContact CB-CG 4.32Å; V44-Y55 HydrophobicContact CG1-CD2 4.34Å; V44-Y55 HydrophobicContact CG1-CG 4.39Å; A51-Y55 WeakPolarHBondContact O-CB 3.33Å; A51-Y55 PolarHBondContact O-N 3.29Å; T52-Y55 PolarHBondContact O-N 3.43Å; R53-Y55 VanDerWaalsContact C-N 3.27Å; R53-Y55 PolarHBondContact O-N 3Å; Y55-R58 PolarHBondContact O-N 3.46Å; Y55-I59 HydrophobicContact CD1-CG1 3.89Å; Y55-I59 HydrophobicContact CE1-CB 4.43Å; Y55-I59 HydrophobicContact CE1-CD1 4.39Å; Y55-I59 HydrophobicContact CE1-CG1 3.43Å; Y55-I59 VanDerWaalsContact CE1-CG1 3.43Å; Y55-I59 WeakPolarHBondContact O-CG1 3.43Å; Y55-I59 PolarHBondContact O-N 3.26Å
56F98.6Very high98.4Very high1 Ų152.1 Ų52.10%0.00426%0.257CS..Hα-helixtrans-64.5-40.6178.2-89-110.9000112.4L6 T52 R53 R58 I59 R60 P61 V64 V95 S99 V102L6-F56 HydrophobicContact CD2-CD2 4.37Å; L6-F56 HydrophobicContact CD2-CE1 4.03Å; L6-F56 HydrophobicContact CD2-CE2 3.84Å; L6-F56 HydrophobicContact CD2-CZ 3.65Å; T52-F56 HydrophobicContact CG2-CD2 3.95Å; T52-F56 HydrophobicContact CG2-CE2 3.9Å; T52-F56 VanDerWaalsContact O-CD2 3.28Å; T52-F56 WeakPolarHBondContact O-CD2 3.47Å; T52-F56 PolarHBondContact O-N 3.37Å; R53-F56 PolarHBondContact O-N 3.1Å; R53-F56 VanDerWaalsContact O-N 3.14Å; F56-R58 VanDerWaalsContact C-N 3.3Å; F56-R58 PolarHBondContact O-N 3.04Å; F56-I59 PolarHBondContact O-N 3.34Å; F56-R60 WeakPolarHBondContact O-CA 3.5Å; F56-R60 PolarHBondContact O-N 3.2Å; F56-P61 HydrophobicContact CD1-CG 4.06Å; F56-P61 HydrophobicContact CE1-CG 4.23Å; F56-V64 HydrophobicContact CE1-CG2 3.85Å; F56-V64 HydrophobicContact CZ-CG2 4.38Å; F56-V95 HydrophobicContact CZ-CG1 4.1Å; F56-S99 VanDerWaalsContact CE1-OG 3.29Å; F56-S99 WeakPolarHBondContact CE1-OG 3.33Å; F56-V102 HydrophobicContact CB-CG1 4.07Å; F56-V102 HydrophobicContact CB-CG2 4.35Å; F56-V102 HydrophobicContact CD1-CG2 4.08Å
57E98.4Very high98.4Very high111 Ų11152.5 Ų52.552%0.51926%0.259SS..Hα-helixtrans-63.4-35.1176-73.7171.6179.300112.4R53 R60 V102R53-E57 WeakPolarHBondContact CD-OE1 3.42Å; R53-E57 HydrophobicContact CG-CG 4.48Å; R53-E57 WeakPolarHBondContact CG-OE1 3.15Å; R53-E57 WeakPolarHBondContact O-CG 3.47Å; R53-E57 PolarHBondContact O-N 2.96Å; E57-R60 WeakPolarHBondContact O-CG 3.33Å; E57-V102 HydrophobicContact CG-CG1 4.05Å
58R97.9Very high98.4Very high165 Ų16551 Ų5162%0.62325%0.251SS*.Hα-helixtrans-72.5-41.5176.4-176.9173.761.589.41.7113.1A54 Y55 F56A54-R58 WeakPolarHBondContact O-CB 3.23Å; A54-R58 PolarHBondContact O-N 3.28Å; A54-R58 VanDerWaalsContact O-N 3.13Å; Y55-R58 PolarHBondContact O-N 3.46Å; F56-R58 VanDerWaalsContact C-N 3.3Å; F56-R58 PolarHBondContact O-N 3.04Å
59I97.2Very high98.3Very high34 Ų3448.8 Ų48.817%0.17424%0.243CC..Hα-helixtrans-84.4-33.6-175.8-64.1-52.4000112.5T4 I37 Y55 F56 P61T4-I59 HydrophobicContact CG2-CG2 4.07Å; I37-I59 HydrophobicContact CD1-CD1 4.21Å; I37-I59 HydrophobicContact CD1-CG2 3.47Å; I37-I59 VanDerWaalsContact CD1-CG2 3.47Å; Y55-I59 HydrophobicContact CD1-CG1 3.89Å; Y55-I59 HydrophobicContact CE1-CB 4.43Å; Y55-I59 HydrophobicContact CE1-CD1 4.39Å; Y55-I59 HydrophobicContact CE1-CG1 3.43Å; Y55-I59 VanDerWaalsContact CE1-CG1 3.43Å; Y55-I59 WeakPolarHBondContact O-CG1 3.43Å; Y55-I59 PolarHBondContact O-N 3.26Å; F56-I59 PolarHBondContact O-N 3.34Å; I59-P61 HydrophobicContact CG2-CB 4.46Å
60R97.7Very high98.2Very high183 Ų18348.3 Ų48.369%0.69123%0.233SC*.  trans42.961.2-173-60.8-138.6-74.1162.2-7.7113F56 E57F56-R60 WeakPolarHBondContact O-CA 3.5Å; F56-R60 PolarHBondContact O-N 3.2Å; E57-R60 WeakPolarHBondContact O-CG 3.33Å
61P98.3Very high97.7Very high3 Ų346.9 Ų46.92%0.01923%0.229CC..  trans-62.1144.9-179.626.2-31.9000111.6T4 L6 F56 I59 V64 V104T4-P61 HydrophobicContact CG2-CB 4.45Å; L6-P61 HydrophobicContact CB-CB 3.73Å; L6-P61 HydrophobicContact CB-CG 4.14Å; L6-P61 HydrophobicContact CD2-CG 4.11Å; F56-P61 HydrophobicContact CD1-CG 4.06Å; F56-P61 HydrophobicContact CE1-CG 4.23Å; I59-P61 HydrophobicContact CG2-CB 4.46Å; P61-V64 HydrophobicContact CB-CG2 4.23Å; P61-V64 HydrophobicContact CG-CG2 3.97Å; P61-V104 HydrophobicContact CG-CG2 3.86Å; P61-V104 WeakPolarHBondContact O-CG2 3.44Å
62T97.8Very high96.7Very high32 Ų3246.5 Ų46.520%0.19623%0.229CC..SBendtrans-79-38.1169.8-46.30000110.6T4 K105T4-T62 PolarHBondContact N-OG1 3.06Å; T4-T62 PolarHBondContact O-N 3.5Å; T62-K105 HydrophobicContact CG2-CD 4.19Å; T62-K105 PolarHBondContact O-N 2.9Å
63Y98.5Very high95.5Very high62 Ų6246.7 Ų46.724%0.24323%0.23CC..EExtended strand (participates in β ladder)trans-135.2152.5-180-57.5-56.3000111.3T3 T4 V5 L6 K105 K106 L229T3-Y63 HydrophobicContact CG2-CD2 3.32Å; T3-Y63 HydrophobicContact CG2-CE2 3.38Å; T4-Y63 PolarHBondContact O-N 3.44Å; T4-Y63 VanDerWaalsContact O-N 3.07Å; V5-Y63 WeakPolarHBondContact CA-O 3.45Å; V5-Y63 HydrophobicContact CG2-CD2 4.3Å; L6-Y63 PolarHBondContact N-O 2.94Å; Y63-K105 HydrophobicContact CD1-CB 4.27Å; Y63-K105 HydrophobicContact CE1-CB 3.86Å; Y63-K106 WeakPolarHBondContact CA-O 3.37Å; Y63-K106 HydrophobicContact CD1-CB 3.61Å; Y63-K106 HydrophobicContact CE1-CB 3.9Å; Y63-L229 HydrophobicContact CD1-CD1 4.37Å; Y63-L229 HydrophobicContact CD2-CD1 4.31Å; Y63-L229 HydrophobicContact CG-CD1 3.88Å
64V98.8Very high94.4Very high0 Ų047.5 Ų47.50%024%0.24CC..EExtended strand (participates in β ladder)trans-128.5133.1177176.60000110.1L6 F56 P61 H66 V95 V104 K106 V107 I108L6-V64 HydrophobicContact CB-CG2 4.34Å; L6-V64 CarbonylContact O-C 3.56Å; L6-V64 VanDerWaalsContact O-CA 3.31Å; L6-V64 WeakPolarHBondContact O-CA 3.14Å; F56-V64 HydrophobicContact CE1-CG2 3.85Å; F56-V64 HydrophobicContact CZ-CG2 4.38Å; P61-V64 HydrophobicContact CB-CG2 4.23Å; P61-V64 HydrophobicContact CG-CG2 3.97Å; V64-H66 HydrophobicContact CG1-CB 4.34Å; V64-V95 HydrophobicContact CG1-CG1 4.29Å; V64-V104 HydrophobicContact CB-CG1 4.28Å; V64-V104 HydrophobicContact CG2-CB 4.46Å; V64-V104 HydrophobicContact CG2-CG1 3.82Å; V64-V104 HydrophobicContact CG2-CG2 3.8Å; V64-K106 PolarHBondContact N-O 3.49Å; V64-V107 HydrophobicContact CB-CG1 4.27Å; V64-V107 HydrophobicContact CB-CG2 4.16Å; V64-V107 HydrophobicContact CG1-CG1 4.3Å; V64-V107 CarbonylContact O-C 3.59Å; V64-V107 WeakPolarHBondContact O-CA 3.33Å; V64-I108 PolarHBondContact O-N 2.84Å
65I98.9Very high93.2Very high0 Ų050.8 Ų50.80%024%0.244CC..EExtended strand (participates in β ladder)trans-107.5112.9164.1-63.3164.1000106.9V5 L6 V7 T8 I18 W36 L67 I108 I225 L229V5-I65 HydrophobicContact CG1-CD1 3.9Å; V5-I65 HydrophobicContact CG1-CG1 4.27Å; L6-I65 PolarHBondContact O-N 2.98Å; V7-I65 CarbonylContact C-O 3.52Å; V7-I65 WeakPolarHBondContact CA-O 3.38Å; V7-I65 HydrophobicContact CG1-CB 4.4Å; V7-I65 HydrophobicContact CG1-CG2 4.37Å; V7-I65 HydrophobicContact CG2-CB 4.29Å; V7-I65 HydrophobicContact CG2-CD1 4.24Å; T8-I65 PolarHBondContact N-O 2.99Å; I18-I65 HydrophobicContact CD1-CD1 4.39Å; I18-I65 HydrophobicContact CD1-CG2 4.08Å; W36-I65 HydrophobicContact CH2-CD1 4.2Å; W36-I65 HydrophobicContact CZ3-CD1 3.7Å; I65-L67 HydrophobicContact CG2-CD1 4.3Å; I65-L67 HydrophobicContact CG2-CD2 3.62Å; I65-L67 HydrophobicContact CG2-CG 3.84Å; I65-I108 CarbonylContact C-O 3.56Å; I65-I108 WeakPolarHBondContact CA-O 3.16Å; I65-I225 HydrophobicContact CD1-CG2 3.72Å; I65-I225 HydrophobicContact CG1-CG2 4.17Å; I65-I225 HydrophobicContact CG2-CG2 3.85Å; I65-L229 HydrophobicContact CD1-CD2 4.27Å
66H98.8Very high92.4Very high0 Ų050.9 Ų50.90%025%0.249CC..EExtended strand (participates in β ladder)trans-98.994.9-174.2-18039.9000112T8 V64 A68 N92 V95 V107 I108 C110T8-H66 VanDerWaalsContact OG1-CA 3.26Å; T8-H66 WeakPolarHBondContact OG1-CA 3.33Å; T8-H66 PolarHBondContact OG1-ND1 2.9Å; V64-H66 HydrophobicContact CG1-CB 4.34Å; H66-A68 PolarHBondContact CE1-O 2.99Å; H66-N92 PolarHBondContact NE2-OD1 2.66Å; H66-N92 VanDerWaalsContact NE2-OD1 3.15Å; H66-V95 HydrophobicContact CB-CG1 4.08Å; H66-V107 HydrophobicContact CB-CG1 4.42Å; H66-I108 PolarHBondContact N-O 3.25Å; H66-C110 PolarHBondContact O-N 2.92Å
67L98.7Very high91.6Very high23 Ų2351.3 Ų51.312%0.1225%0.252CS..  trans-107.3-16.4178.8-41.3172000113.3V7 T8 V14 I18 I65 A69 C110 I225V7-L67 HydrophobicContact CG1-CD1 3.67Å; V7-L67 HydrophobicContact CG1-CG 4.27Å; T8-L67 WeakPolarHBondContact O-CA 3.3Å; T8-L67 WeakPolarHBondContact O-CB 3.3Å; T8-L67 PolarHBondContact O-N 3.13Å; T8-L67 VanDerWaalsContact O-N 3.15Å; T8-L67 PolarHBondContact OG1-N 3.25Å; T8-L67 VanDerWaalsContact OG1-N 3.15Å; V14-L67 HydrophobicContact CB-CD1 4.01Å; V14-L67 HydrophobicContact CG1-CD1 3.8Å; V14-L67 HydrophobicContact CG1-CD2 3.94Å; V14-L67 HydrophobicContact CG1-CG 4.47Å; I18-L67 HydrophobicContact CD1-CD1 3.82Å; I65-L67 HydrophobicContact CG2-CD1 4.3Å; I65-L67 HydrophobicContact CG2-CD2 3.62Å; I65-L67 HydrophobicContact CG2-CG 3.84Å; L67-A69 PolarHBondContact O-N 2.81Å; L67-C110 HydrophobicContact CD2-CB 3.82Å; L67-I225 HydrophobicContact CD2-CD1 4.42Å
68A98.3Very high91Very high13 Ų1350.7 Ų50.711%0.10725%0.25CC..  trans-62132.1-179.100000111T8 L46 H66 I91T8-A68 PolarHBondContact O-N 3.05Å; T8-A68 PolarHBondContact OG1-N 3.32Å; L46-A68 HydrophobicContact CD1-CB 3.43Å; L46-A68 VanDerWaalsContact CD1-CB 3.43Å; H66-A68 PolarHBondContact CE1-O 2.99Å; A68-I91 HydrophobicContact CB-CG2 4.4Å
69A97.5Very high90.5Very high25 Ų2547.6 Ų47.621%0.20725%0.254CS..  trans-158.7154.9175.200000109L67 V71 N88L67-A69 PolarHBondContact O-N 2.81Å; A69-V71 HydrophobicContact CB-CG1 3.85Å; A69-V71 PolarHBondContact O-N 2.88Å; A69-N88 WeakPolarHBondContact CA-OD1 3.39Å; A69-N88 WeakPolarHBondContact CB-OD1 3.26Å
70K94.6Very high90.3Very high51 Ų5149.2 Ų49.222%0.22226%0.263CS..  trans-73.8111.4159.8-172.1-156.3-175.373.20106.8F84 Q87 N88K70-F84 HydrophobicContact CD-CD1 3.79Å; K70-F84 HydrophobicContact CD-CD2 4.4Å; K70-F84 HydrophobicContact CD-CE1 3.96Å; K70-F84 HydrophobicContact CD-CG 4.03Å; K70-F84 HydrophobicContact CD-CZ 4.33Å; K70-F84 HydrophobicContact CG-CD1 4.16Å; K70-F84 HydrophobicContact CG-CE1 4Å; K70-F84 WeakPolarHBondContact O-CD1 3.42Å; K70-F84 WeakPolarHBondContact O-CE1 3.33Å; K70-Q87 HydrophobicContact CB-CB 4.16Å; K70-Q87 HydrophobicContact CD-CB 4.12Å; K70-Q87 HydrophobicContact CD-CG 4.27Å; K70-Q87 VanDerWaalsContact CG-OE1 3.29Å; K70-N88 PolarHBondContact N-OD1 2.72Å; K70-N88 PolarHBondContact O-ND2 3.35Å
71V88.9Confident90.2Very high96 Ų9641.2 Ų41.258%0.58223%0.233SC*.  trans-118.7155.4-178.6-61.70000110.6A69 Y141A69-V71 HydrophobicContact CB-CG1 3.85Å; A69-V71 PolarHBondContact O-N 2.88Å; V71-Y141 HydrophobicContact CG1-CE2 4.34Å
72G77Confident90.2Very high26 Ų2646.7 Ų46.727%0.26826%0.262SS..  trans-167168.4174.400000110.1N77G72-N77 PolarHBondContact O-ND2 3.24Å
73G74.2Confident90.1Very high4 Ų448.2 Ų48.24%0.04127%0.267CS..  trans-67.3179.4173.400000112.7F75 A76 N77 Q182G73-F75 VanDerWaalsContact C-N 3.3Å; G73-F75 PolarHBondContact O-N 3.06Å; G73-A76 PolarHBondContact O-N 2.78Å; G73-N77 PolarHBondContact O-N 3.34Å; G73-N77 VanDerWaalsContact O-N 3.13Å; G73-N77 PolarHBondContact O-ND2 3.49Å; G73-Q182 WeakPolarHBondContact CA-O 3.3Å; G73-Q182 PolarHBondContact N-O 2.98Å; G73-Q182 VanDerWaalsContact N-O 3.09Å
74L74.1Confident90.1Very high93 Ų9345.6 Ų45.649%0.48726%0.257SS..Hα-helixtrans-53.5-47.5-179.5-179.563.5000111.8N77 M78L74-N77 PolarHBondContact O-N 2.82Å; L74-M78 HydrophobicContact CD1-CG 4.45Å; L74-M78 HydrophobicContact CD1-SD 4.18Å; L74-M78 HydrophobicContact CG-SD 3.96Å; L74-M78 VanDerWaalsContact O-CG 3.29Å; L74-M78 WeakPolarHBondContact O-CG 3.27Å; L74-M78 PolarHBondContact O-N 2.77Å
75F75.2Confident90Very high125 Ų12549.5 Ų49.555%0.54827%0.274SS..Hα-helixtrans-64.9-44.2-177.9-63.8-70.1000113G73 N77 M78 S79G73-F75 VanDerWaalsContact C-N 3.3Å; G73-F75 PolarHBondContact O-N 3.06Å; F75-N77 PolarHBondContact O-N 2.88Å; F75-M78 PolarHBondContact O-N 3.19Å; F75-S79 PolarHBondContact O-N 3.24Å; F75-S79 PolarHBondContact O-OG 2.98Å
76A80.3Confident90Very high22 Ų2255.8 Ų55.818%0.18230%0.298CS..Hα-helixtrans-60.3-44.2176.900000112.1G73 S79 D80 F84G73-A76 PolarHBondContact O-N 2.78Å; A76-S79 PolarHBondContact O-N 3.28Å; A76-S79 PolarHBondContact O-OG 2.86Å; A76-D80 PolarHBondContact O-N 3.39Å; A76-F84 HydrophobicContact CB-CE2 4.41Å; A76-F84 HydrophobicContact CB-CZ 4.29Å; A76-F84 VanDerWaalsContact O-CE2 3.27Å; A76-F84 WeakPolarHBondContact O-CE2 3.45Å
77N82.7Confident90Very high10 Ų1058.2 Ų58.25%0.05331%0.309CS..Hα-helixtrans-63.2-43.4177.4-76.7-88.1000111.9G72 G73 L74 F75 S79 D80 N81 F84 S137 N138 Y141G72-N77 PolarHBondContact O-ND2 3.24Å; G73-N77 PolarHBondContact O-N 3.34Å; G73-N77 VanDerWaalsContact O-N 3.13Å; G73-N77 PolarHBondContact O-ND2 3.49Å; L74-N77 PolarHBondContact O-N 2.82Å; F75-N77 PolarHBondContact O-N 2.88Å; N77-S79 VanDerWaalsContact C-N 3.31Å; N77-S79 PolarHBondContact O-N 2.95Å; N77-D80 PolarHBondContact O-N 3.43Å; N77-N81 PolarHBondContact O-N 3.23Å; N77-N81 PolarHBondContact O-ND2 2.8Å; N77-F84 WeakPolarHBondContact OD1-CD1 3.28Å; N77-F84 WeakPolarHBondContact OD1-CE1 3.43Å; N77-S137 CarbonylContact C-O 3.48Å; N77-N138 HydrophobicContact CB-CB 3.57Å; N77-Y141 WeakPolarHBondContact OD1-CB 3.31Å
78M84.9Confident90Very high98 Ų9857.1 Ų57.148%0.48330%0.303SS..Hα-helixtrans-59.5-42178.8-75.2177.468.700112.3L74 F75 D80 N81 S137L74-M78 HydrophobicContact CD1-CG 4.45Å; L74-M78 HydrophobicContact CD1-SD 4.18Å; L74-M78 HydrophobicContact CG-SD 3.96Å; L74-M78 VanDerWaalsContact O-CG 3.29Å; L74-M78 WeakPolarHBondContact O-CG 3.27Å; L74-M78 PolarHBondContact O-N 2.77Å; F75-M78 PolarHBondContact O-N 3.19Å; M78-D80 VanDerWaalsContact C-N 3.32Å; M78-D80 PolarHBondContact O-N 3.38Å; M78-N81 PolarHBondContact O-ND2 3.06Å; M78-S137 WeakPolarHBondContact CA-O 3.18Å; M78-S137 WeakPolarHBondContact CG-O 3.49Å; M78-S137 PolarHBondContact N-O 2.81Å
79S88.8Confident90Very high100 Ų10058.7 Ų58.770%0.69931%0.309SS*.Hα-helixtrans-72-20.6-176.653.90000114.7F75 A76 N77F75-S79 PolarHBondContact O-N 3.24Å; F75-S79 PolarHBondContact O-OG 2.98Å; A76-S79 PolarHBondContact O-N 3.28Å; A76-S79 PolarHBondContact O-OG 2.86Å; N77-S79 VanDerWaalsContact C-N 3.31Å; N77-S79 PolarHBondContact O-N 2.95Å
80D92.9Very high90Very high68 Ų6861.6 Ų61.636%0.36432%0.318SS..THydrogen-bonded Turntrans-145.644.1-168.2-161.53.6000114A76 N77 M78 L82 E83 F84A76-D80 PolarHBondContact O-N 3.39Å; N77-D80 PolarHBondContact O-N 3.43Å; M78-D80 VanDerWaalsContact C-N 3.32Å; M78-D80 PolarHBondContact O-N 3.38Å; D80-L82 PolarHBondContact O-N 3.26Å; D80-L82 VanDerWaalsContact O-N 3.1Å; D80-E83 PolarHBondContact O-N 2.82Å; D80-E83 VanDerWaalsContact O-N 3.13Å; D80-E83 WeakPolarHBondContact OD1-CB 3.38Å; D80-E83 PolarHBondContact OD1-N 3.49Å; D80-E83 WeakPolarHBondContact OD2-CB 3.2Å; D80-F84 HydrophobicContact CB-CD2 4.23Å; D80-F84 HydrophobicContact CB-CE2 4.44Å; D80-F84 VanDerWaalsContact O-CD2 3.3Å; D80-F84 WeakPolarHBondContact O-CD2 3.34Å; D80-F84 PolarHBondContact O-N 3.37Å
81N95Very high90.2Very high15 Ų1559.8 Ų59.88%0.0831%0.311CS..Hα-helixtrans-52.2-36-177.7-88.8-74.7000113.4N77 M78 F85 N138 Y139 G140N77-N81 PolarHBondContact O-N 3.23Å; N77-N81 PolarHBondContact O-ND2 2.8Å; M78-N81 PolarHBondContact O-ND2 3.06Å; N81-F85 WeakPolarHBondContact O-CB 3.46Å; N81-F85 PolarHBondContact O-N 2.97Å; N81-N138 VanDerWaalsContact OD1-CA 3.31Å; N81-N138 WeakPolarHBondContact OD1-CA 3.27Å; N81-Y139 HydrophobicContact CB-CD1 4.25Å; N81-Y139 HydrophobicContact CB-CE1 3.63Å; N81-Y139 HydrophobicContact CB-CE2 4.02Å; N81-Y139 VanDerWaalsContact CB-CZ 3.49Å; N81-Y139 VanDerWaalsContact CG-CE1 3.4Å; N81-Y139 PolarHBondContact OD1-N 3.3Å; N81-G140 WeakPolarHBondContact O-CA 3.34Å; N81-G140 PolarHBondContact OD1-N 2.86Å
82L97.5Very high90.7Very high117 Ų11755.2 Ų55.261%0.61328%0.283SS*.Hα-helixtrans-65.2-48.7178.9178.960.3000111.8D80 F84 F85 R86D80-L82 PolarHBondContact O-N 3.26Å; D80-L82 VanDerWaalsContact O-N 3.1Å; L82-F84 VanDerWaalsContact C-N 3.35Å; L82-F85 WeakPolarHBondContact O-CB 3.14Å; L82-F85 PolarHBondContact O-N 2.94Å; L82-R86 HydrophobicContact CD1-CG 4.04Å; L82-R86 HydrophobicContact CG-CG 4.44Å; L82-R86 WeakPolarHBondContact O-CG 3.47Å; L82-R86 PolarHBondContact O-N 3.46Å
83E97.1Very high91.7Very high64 Ų6457.6 Ų57.630%0.29929%0.289SS..Hα-helixtrans-69.3-36.7-179.4-169.663.2-17200111.7D80 F85 R86 Q87D80-E83 PolarHBondContact O-N 2.82Å; D80-E83 VanDerWaalsContact O-N 3.13Å; D80-E83 WeakPolarHBondContact OD1-CB 3.38Å; D80-E83 PolarHBondContact OD1-N 3.49Å; D80-E83 WeakPolarHBondContact OD2-CB 3.2Å; E83-F85 VanDerWaalsContact C-N 3.3Å; E83-F85 PolarHBondContact O-N 3.21Å; E83-R86 PolarHBondContact O-N 3.31Å; E83-Q87 HydrophobicContact CG-CG 4.05Å; E83-Q87 WeakPolarHBondContact O-CB 3.47Å; E83-Q87 WeakPolarHBondContact O-CG 3.25Å; E83-Q87 PolarHBondContact O-N 2.96Å; E83-Q87 VanDerWaalsContact OE1-CD 3.3Å; E83-Q87 WeakPolarHBondContact OE1-CG 3.32Å; E83-Q87 PolarHBondContact OE1-NE2 2.91Å
84F96.9Very high92.9Very high8 Ų857.8 Ų57.84%0.03529%0.289CS..Hα-helixtrans-59.1-41.4171.3-87-81.9000112.1K70 A76 N77 D80 L82 N88 Y141K70-F84 HydrophobicContact CD-CD1 3.79Å; K70-F84 HydrophobicContact CD-CD2 4.4Å; K70-F84 HydrophobicContact CD-CE1 3.96Å; K70-F84 HydrophobicContact CD-CG 4.03Å; K70-F84 HydrophobicContact CD-CZ 4.33Å; K70-F84 HydrophobicContact CG-CD1 4.16Å; K70-F84 HydrophobicContact CG-CE1 4Å; K70-F84 WeakPolarHBondContact O-CD1 3.42Å; K70-F84 WeakPolarHBondContact O-CE1 3.33Å; A76-F84 HydrophobicContact CB-CE2 4.41Å; A76-F84 HydrophobicContact CB-CZ 4.29Å; A76-F84 VanDerWaalsContact O-CE2 3.27Å; A76-F84 WeakPolarHBondContact O-CE2 3.45Å; N77-F84 WeakPolarHBondContact OD1-CD1 3.28Å; N77-F84 WeakPolarHBondContact OD1-CE1 3.43Å; D80-F84 HydrophobicContact CB-CD2 4.23Å; D80-F84 HydrophobicContact CB-CE2 4.44Å; D80-F84 VanDerWaalsContact O-CD2 3.3Å; D80-F84 WeakPolarHBondContact O-CD2 3.34Å; D80-F84 PolarHBondContact O-N 3.37Å; L82-F84 VanDerWaalsContact C-N 3.35Å; F84-N88 VanDerWaalsContact O-CB 3.31Å; F84-N88 WeakPolarHBondContact O-CB 3.27Å; F84-N88 PolarHBondContact O-N 3.33Å; F84-N88 PolarHBondContact O-ND2 3.3Å; F84-Y141 HydrophobicContact CD1-CD2 4.18Å
85F98.3Very high94.1Very high81 Ų8153.3 Ų53.336%0.35527%0.266SS..Hα-helixtrans-65.1-55.1174.5-178.8-97.6000111.4N81 L82 E83 N88 M89 G140 A144N81-F85 WeakPolarHBondContact O-CB 3.46Å; N81-F85 PolarHBondContact O-N 2.97Å; L82-F85 WeakPolarHBondContact O-CB 3.14Å; L82-F85 PolarHBondContact O-N 2.94Å; E83-F85 VanDerWaalsContact C-N 3.3Å; E83-F85 PolarHBondContact O-N 3.21Å; F85-N88 PolarHBondContact O-N 2.87Å; F85-M89 HydrophobicContact CD1-CG 4.28Å; F85-M89 HydrophobicContact CD2-CG 4.32Å; F85-M89 HydrophobicContact CE1-CG 3.93Å; F85-M89 HydrophobicContact CE2-CG 3.97Å; F85-M89 HydrophobicContact CE2-SD 4.43Å; F85-M89 HydrophobicContact CG-CG 4.46Å; F85-M89 HydrophobicContact CZ-CG 3.77Å; F85-M89 HydrophobicContact CZ-SD 4.45Å; F85-M89 WeakPolarHBondContact O-CB 3.5Å; F85-M89 WeakPolarHBondContact O-CG 3.1Å; F85-M89 PolarHBondContact O-N 3.37Å; F85-G140 WeakPolarHBondContact CA-O 3.5Å; F85-G140 WeakPolarHBondContact CD2-O 3.47Å; F85-A144 HydrophobicContact CD2-CB 4.09Å
86R98.4Very high95.2Very high133 Ų13347.4 Ų47.450%0.50224%0.24SC..Hα-helixtrans-60.3-54.7-174-70.5-176.569.491.48.3112L82 E83 N88 M89 H90L82-R86 HydrophobicContact CD1-CG 4.04Å; L82-R86 HydrophobicContact CG-CG 4.44Å; L82-R86 WeakPolarHBondContact O-CG 3.47Å; L82-R86 PolarHBondContact O-N 3.46Å; E83-R86 PolarHBondContact O-N 3.31Å; R86-N88 VanDerWaalsContact C-N 3.34Å; R86-N88 PolarHBondContact O-N 3.07Å; R86-M89 PolarHBondContact O-N 3.02Å; R86-H90 PolarHBondContact O-CD2 3.05Å; R86-H90 PolarHBondContact O-N 3.1Å
87Q98.1Very high96.1Very high50 Ų5047.5 Ų47.523%0.23424%0.239CC..Hα-helixtrans-61.6-43.1-176.6-69.8-165.1-1.400111.8T47 K70 E83 H90 I91T47-Q87 HydrophobicContact CG2-CB 4.48Å; K70-Q87 HydrophobicContact CB-CB 4.16Å; K70-Q87 HydrophobicContact CD-CB 4.12Å; K70-Q87 HydrophobicContact CD-CG 4.27Å; K70-Q87 VanDerWaalsContact CG-OE1 3.29Å; E83-Q87 HydrophobicContact CG-CG 4.05Å; E83-Q87 WeakPolarHBondContact O-CB 3.47Å; E83-Q87 WeakPolarHBondContact O-CG 3.25Å; E83-Q87 PolarHBondContact O-N 2.96Å; E83-Q87 VanDerWaalsContact OE1-CD 3.3Å; E83-Q87 WeakPolarHBondContact OE1-CG 3.32Å; E83-Q87 PolarHBondContact OE1-NE2 2.91Å; Q87-H90 PolarHBondContact O-N 3.42Å; Q87-I91 WeakPolarHBondContact O-CB 3.29Å; Q87-I91 VanDerWaalsContact O-CG1 3.25Å; Q87-I91 WeakPolarHBondContact O-CG1 3.46Å; Q87-I91 PolarHBondContact O-N 3.47Å
88N98.6Very high96.8Very high0 Ų047.1 Ų47.10%024%0.237CC..Hα-helixtrans-67.6-39.8179.1-75.9-61.2000111.6A69 K70 F84 F85 R86 H90 I91 N92 A144A69-N88 WeakPolarHBondContact CA-OD1 3.39Å; A69-N88 WeakPolarHBondContact CB-OD1 3.26Å; K70-N88 PolarHBondContact N-OD1 2.72Å; K70-N88 PolarHBondContact O-ND2 3.35Å; F84-N88 VanDerWaalsContact O-CB 3.31Å; F84-N88 WeakPolarHBondContact O-CB 3.27Å; F84-N88 PolarHBondContact O-N 3.33Å; F84-N88 PolarHBondContact O-ND2 3.3Å; F85-N88 PolarHBondContact O-N 2.87Å; R86-N88 VanDerWaalsContact C-N 3.34Å; R86-N88 PolarHBondContact O-N 3.07Å; N88-H90 PolarHBondContact O-N 3.47Å; N88-I91 PolarHBondContact O-N 3.46Å; N88-N92 VanDerWaalsContact O-CB 3.26Å; N88-N92 WeakPolarHBondContact O-CB 3.36Å; N88-N92 PolarHBondContact O-N 3.09Å; N88-N92 PolarHBondContact O-ND2 3.24Å; N88-N92 PolarHBondContact O-OD1 2.89Å; N88-A144 HydrophobicContact CB-CB 3.68Å
89M98.6Very high97.5Very high47 Ų4742.4 Ų42.423%0.23221%0.214CC..Hα-helixtrans-59.1-45.5173.2-75.5-55.8-58.100112F85 R86 N92 D93 A144 M147F85-M89 HydrophobicContact CD1-CG 4.28Å; F85-M89 HydrophobicContact CD2-CG 4.32Å; F85-M89 HydrophobicContact CE1-CG 3.93Å; F85-M89 HydrophobicContact CE2-CG 3.97Å; F85-M89 HydrophobicContact CE2-SD 4.43Å; F85-M89 HydrophobicContact CG-CG 4.46Å; F85-M89 HydrophobicContact CZ-CG 3.77Å; F85-M89 HydrophobicContact CZ-SD 4.45Å; F85-M89 WeakPolarHBondContact O-CB 3.5Å; F85-M89 WeakPolarHBondContact O-CG 3.1Å; F85-M89 PolarHBondContact O-N 3.37Å; R86-M89 PolarHBondContact O-N 3.02Å; M89-N92 PolarHBondContact O-N 2.74Å; M89-D93 VanDerWaalsContact O-CB 3.25Å; M89-D93 WeakPolarHBondContact O-CB 3.41Å; M89-D93 PolarHBondContact O-N 2.95Å; M89-A144 HydrophobicContact CG-CB 4.05Å; M89-A144 HydrophobicContact SD-CB 4.09Å; M89-M147 HydrophobicContact CE-CB 3.97Å; M89-M147 HydrophobicContact CE-CG 4.26Å; M89-M147 HydrophobicContact SD-CB 3.67Å; M89-M147 HydrophobicContact SD-CG 3.92Å
90H98.6Very high98Very high85 Ų8540.6 Ų40.639%0.39420%0.195SC..Hα-helixtrans-60.8-48.5175.8-77.2-72.1000112.2R86 Q87 N88 N92 N94R86-H90 PolarHBondContact O-CD2 3.05Å; R86-H90 PolarHBondContact O-N 3.1Å; Q87-H90 PolarHBondContact O-N 3.42Å; N88-H90 PolarHBondContact O-N 3.47Å; H90-N92 PolarHBondContact O-N 2.77Å; H90-N94 WeakPolarHBondContact O-CB 3.35Å; H90-N94 PolarHBondContact O-N 3.43Å; H90-N94 PolarHBondContact O-ND2 2.97Å; H90-N94 VanDerWaalsContact O-ND2 3.1Å
91I98.8Very high98.2Very high14 Ų1439.8 Ų39.87%0.07220%0.197CC..Hα-helixtrans-58.6-49.5178.4-70.8165.1000110.9L46 T47 A68 Q87 N88 V95L46-I91 HydrophobicContact CB-CB 4.47Å; L46-I91 HydrophobicContact CB-CG1 4.07Å; L46-I91 HydrophobicContact CB-CG2 4.08Å; L46-I91 HydrophobicContact CD1-CG2 4.44Å; T47-I91 HydrophobicContact CG2-CD1 4.07Å; T47-I91 HydrophobicContact CG2-CG1 3.78Å; A68-I91 HydrophobicContact CB-CG2 4.4Å; Q87-I91 WeakPolarHBondContact O-CB 3.29Å; Q87-I91 VanDerWaalsContact O-CG1 3.25Å; Q87-I91 WeakPolarHBondContact O-CG1 3.46Å; Q87-I91 PolarHBondContact O-N 3.47Å; N88-I91 PolarHBondContact O-N 3.46Å; I91-V95 WeakPolarHBondContact O-CB 3.43Å; I91-V95 VanDerWaalsContact O-CG2 3.3Å; I91-V95 WeakPolarHBondContact O-CG2 3.36Å; I91-V95 PolarHBondContact O-N 2.9Å
92N98.8Very high98.4Very high0 Ų040.3 Ų40.30%020%0.201CC..Hα-helixtrans-65.5-47.1-175.2-61.3-21000110.9H66 N88 M89 H90 V95 L96 A144 I148 M151H66-N92 PolarHBondContact NE2-OD1 2.66Å; H66-N92 VanDerWaalsContact NE2-OD1 3.15Å; N88-N92 VanDerWaalsContact O-CB 3.26Å; N88-N92 WeakPolarHBondContact O-CB 3.36Å; N88-N92 PolarHBondContact O-N 3.09Å; N88-N92 PolarHBondContact O-ND2 3.24Å; N88-N92 PolarHBondContact O-OD1 2.89Å; M89-N92 PolarHBondContact O-N 2.74Å; H90-N92 PolarHBondContact O-N 2.77Å; N92-V95 PolarHBondContact O-N 3.31Å; N92-L96 WeakPolarHBondContact O-CB 3.15Å; N92-L96 WeakPolarHBondContact O-CG 3.2Å; N92-L96 PolarHBondContact O-N 3.16Å; N92-A144 PolarHBondContact ND2-O 3.44Å; N92-I148 HydrophobicContact CB-CG1 4.04Å; N92-I148 WeakPolarHBondContact ND2-CG1 3.39Å; N92-M151 HydrophobicContact CB-CE 3.75Å
93D98.8Very high98.4Very high75 Ų7537.4 Ų37.440%0.40120%0.199SC..Hα-helixtrans-62.8-46.2178.3-178.252.1000111.6M89 V95 L96 S97M89-D93 VanDerWaalsContact O-CB 3.25Å; M89-D93 WeakPolarHBondContact O-CB 3.41Å; M89-D93 PolarHBondContact O-N 2.95Å; D93-V95 VanDerWaalsContact C-N 3.33Å; D93-V95 PolarHBondContact O-N 2.77Å; D93-L96 PolarHBondContact O-N 3.4Å; D93-S97 WeakPolarHBondContact O-CB 3.19Å; D93-S97 PolarHBondContact O-N 2.77Å; D93-S97 PolarHBondContact O-OG 3.5Å
94N98.8Very high98.4Very high8 Ų834.4 Ų34.44%0.04319%0.185CC..Hα-helixtrans-60.4-42.6178.5-71.9-21.6000112.1L46 T47 S49 T52 H90 S97 S98L46-N94 PolarHBondContact O-ND2 3.02Å; T47-N94 VanDerWaalsContact C-ND2 3.29Å; T47-N94 PolarHBondContact O-ND2 3.16Å; T47-N94 VanDerWaalsContact O-ND2 3.16Å; S49-N94 WeakPolarHBondContact CA-OD1 3.43Å; S49-N94 WeakPolarHBondContact CB-OD1 3.25Å; S49-N94 PolarHBondContact N-ND2 2.86Å; T52-N94 HydrophobicContact CG2-CB 3.97Å; H90-N94 WeakPolarHBondContact O-CB 3.35Å; H90-N94 PolarHBondContact O-N 3.43Å; H90-N94 PolarHBondContact O-ND2 2.97Å; H90-N94 VanDerWaalsContact O-ND2 3.1Å; N94-S97 PolarHBondContact O-OG 2.98Å; N94-S98 WeakPolarHBondContact O-CB 3.33Å; N94-S98 PolarHBondContact O-N 2.82Å; N94-S98 VanDerWaalsContact O-N 3.07Å; N94-S98 PolarHBondContact O-OG 2.82Å
95V98.9Very high98.4Very high0 Ų039.9 Ų39.90%021%0.209CC..Hα-helixtrans-70.6-48.2-179.6168.80000111.3T8 L46 T52 F56 V64 H66 I91 N92 D93 S99T8-V95 HydrophobicContact CG2-CG1 4.47Å; T8-V95 HydrophobicContact CG2-CG2 4.38Å; L46-V95 HydrophobicContact CD1-CG2 4.11Å; L46-V95 HydrophobicContact CD2-CG2 3.86Å; L46-V95 HydrophobicContact CG-CG2 4.44Å; T52-V95 HydrophobicContact CG2-CG2 4.49Å; F56-V95 HydrophobicContact CZ-CG1 4.1Å; V64-V95 HydrophobicContact CG1-CG1 4.29Å; H66-V95 HydrophobicContact CB-CG1 4.08Å; I91-V95 WeakPolarHBondContact O-CB 3.43Å; I91-V95 VanDerWaalsContact O-CG2 3.3Å; I91-V95 WeakPolarHBondContact O-CG2 3.36Å; I91-V95 PolarHBondContact O-N 2.9Å; N92-V95 PolarHBondContact O-N 3.31Å; D93-V95 VanDerWaalsContact C-N 3.33Å; D93-V95 PolarHBondContact O-N 2.77Å; V95-S99 VanDerWaalsContact O-CB 3.3Å; V95-S99 WeakPolarHBondContact O-CB 3.4Å; V95-S99 PolarHBondContact O-N 2.83Å; V95-S99 PolarHBondContact O-OG 3.27Å
96L98.8Very high98.4Very high0 Ų036.6 Ų36.60%020%0.195CC..Hα-helixtrans-67.6-44.5-178.7-66.4179.7000111.7N92 D93 S98 S99 H100 V107 M151 Y155 Y163N92-L96 WeakPolarHBondContact O-CB 3.15Å; N92-L96 WeakPolarHBondContact O-CG 3.2Å; N92-L96 PolarHBondContact O-N 3.16Å; D93-L96 PolarHBondContact O-N 3.4Å; L96-S98 PolarHBondContact O-N 2.93Å; L96-S99 WeakPolarHBondContact O-CB 3.44Å; L96-S99 PolarHBondContact O-N 2.88Å; L96-H100 PolarHBondContact O-N 2.81Å; L96-V107 HydrophobicContact CD2-CB 4.34Å; L96-V107 HydrophobicContact CD2-CG1 3.74Å; L96-M151 HydrophobicContact CD1-CB 3.6Å; L96-M151 HydrophobicContact CD1-CE 3.78Å; L96-M151 HydrophobicContact CD1-CG 4.39Å; L96-M151 HydrophobicContact CD1-SD 3.97Å; L96-Y155 HydrophobicContact CB-CD2 4.37Å; L96-Y155 HydrophobicContact CB-CE2 3.74Å; L96-Y163 HydrophobicContact CD2-CD2 4.08Å; L96-Y163 HydrophobicContact CD2-CE2 4.4Å
97S98.5Very high98.4Very high24 Ų2430.2 Ų30.217%0.16817%0.171CC..Hα-helixtrans-65.6-38.5178.268.50000112.8R53 D93 N94 H100 A101 Y155R53-S97 PolarHBondContact NH2-O 3.24Å; D93-S97 WeakPolarHBondContact O-CB 3.19Å; D93-S97 PolarHBondContact O-N 2.77Å; D93-S97 PolarHBondContact O-OG 3.5Å; N94-S97 PolarHBondContact O-OG 2.98Å; S97-H100 PolarHBondContact O-N 3.13Å; S97-A101 WeakPolarHBondContact O-CB 3.45Å; S97-A101 PolarHBondContact O-N 3.47Å; S97-Y155 VanDerWaalsContact CA-OH 3.26Å; S97-Y155 WeakPolarHBondContact CA-OH 3.28Å
98S98.8Very high98.5Very high2 Ų227.9 Ų27.91%0.01416%0.16CC..Hα-helixtrans-72.6-33.2175.7-58.80000112.4R53 N94 L96 H100 A101 V102R53-S98 PolarHBondContact NE-OG 3.07Å; R53-S98 VanDerWaalsContact NE-OG 3.09Å; N94-S98 WeakPolarHBondContact O-CB 3.33Å; N94-S98 PolarHBondContact O-N 2.82Å; N94-S98 VanDerWaalsContact O-N 3.07Å; N94-S98 PolarHBondContact O-OG 2.82Å; L96-S98 PolarHBondContact O-N 2.93Å; S98-H100 VanDerWaalsContact C-N 3.35Å; S98-A101 PolarHBondContact O-N 3.23Å; S98-V102 WeakPolarHBondContact O-CG2 3.11Å; S98-V102 PolarHBondContact O-N 2.94Å
99S98.7Very high98.5Very high0 Ų027.9 Ų27.90%016%0.16CC..Hα-helixtrans-58.3-48.8170.5-61.60000110.8F56 V95 L96 A101 V102 G103 V104 Y163F56-S99 VanDerWaalsContact CE1-OG 3.29Å; F56-S99 WeakPolarHBondContact CE1-OG 3.33Å; V95-S99 VanDerWaalsContact O-CB 3.3Å; V95-S99 WeakPolarHBondContact O-CB 3.4Å; V95-S99 PolarHBondContact O-N 2.83Å; V95-S99 PolarHBondContact O-OG 3.27Å; L96-S99 WeakPolarHBondContact O-CB 3.44Å; L96-S99 PolarHBondContact O-N 2.88Å; S99-A101 PolarHBondContact O-N 2.97Å; S99-V102 PolarHBondContact O-N 2.7Å; S99-G103 PolarHBondContact O-N 2.81Å; S99-V104 VanDerWaalsContact O-CB 3.28Å; S99-V104 WeakPolarHBondContact O-CB 3.37Å; S99-V104 VanDerWaalsContact O-CG2 3.3Å; S99-V104 WeakPolarHBondContact O-CG2 3.26Å; S99-V104 PolarHBondContact O-N 3.21Å; S99-Y163 VanDerWaalsContact C-OH 3.26Å; S99-Y163 WeakPolarHBondContact CB-OH 3.45Å
100H98.4Very high98.5Very high61 Ų6126.4 Ų26.428%0.28215%0.154SC..Hα-helixtrans-62.4-46.8179.5175.2-103.7000111.2L96 S97 S98 V102 G103 Y155 F159 Y163L96-H100 PolarHBondContact O-N 2.81Å; S97-H100 PolarHBondContact O-N 3.13Å; S98-H100 VanDerWaalsContact C-N 3.35Å; H100-V102 VanDerWaalsContact C-N 3.27Å; H100-V102 PolarHBondContact O-N 3.41Å; H100-G103 PolarHBondContact O-N 3.42Å; H100-Y155 HydrophobicContact CB-CD1 4.12Å; H100-Y155 HydrophobicContact CB-CE1 3.69Å; H100-Y155 AromaticContact CG-CE1 3.81Å; H100-F159 AromaticContact CD2-CD2 3.95Å; H100-F159 AromaticContact CD2-CG 3.91Å; H100-F159 AromaticContact CE1-CD1 3.85Å; H100-F159 AromaticContact CE1-CE1 3.8Å; H100-F159 AromaticContact CE1-CZ 3.9Å; H100-F159 AromaticContact NE2-CD1 3.36Å; H100-F159 WeakPolarHBondContact NE2-CD1 3.26Å; H100-F159 AromaticContact NE2-CD2 3.57Å; H100-F159 AromaticContact NE2-CE1 3.8Å; H100-F159 AromaticContact NE2-CE2 3.98Å; H100-F159 AromaticContact NE2-CG 3.24Å; H100-F159 WeakPolarHBondContact NE2-CG 3.5Å; H100-Y163 WeakPolarHBondContact CA-OH 3.37Å; H100-Y163 PolarHBondContact N-OH 2.96Å
101A98.1Very high98.5Very high51 Ų5122.5 Ų22.542%0.42114%0.136SC..Hα-helixtrans-61.9-28.9-176.500000115S97 S98 S99S97-A101 WeakPolarHBondContact O-CB 3.45Å; S97-A101 PolarHBondContact O-N 3.47Å; S98-A101 PolarHBondContact O-N 3.23Å; S99-A101 PolarHBondContact O-N 2.97Å
102V98.2Very high98.3Very high27 Ų2723.2 Ų23.216%0.16414%0.142CC..THydrogen-bonded Turntrans-98.46.4177.7-53.30000113.4F56 E57 S98 S99 H100 V104F56-V102 HydrophobicContact CB-CG1 4.07Å; F56-V102 HydrophobicContact CB-CG2 4.35Å; F56-V102 HydrophobicContact CD1-CG2 4.08Å; E57-V102 HydrophobicContact CG-CG1 4.05Å; S98-V102 WeakPolarHBondContact O-CG2 3.11Å; S98-V102 PolarHBondContact O-N 2.94Å; S99-V102 PolarHBondContact O-N 2.7Å; H100-V102 VanDerWaalsContact C-N 3.27Å; H100-V102 PolarHBondContact O-N 3.41Å; V102-V104 HydrophobicContact CG2-CG2 3.86Å
103G97.6Very high98Very high55 Ų5523.7 Ų23.757%0.56715%0.145SC*.THydrogen-bonded Turntrans76.932.517600000114.6S99 H100 K105S99-G103 PolarHBondContact O-N 2.81Å; H100-G103 PolarHBondContact O-N 3.42Å; G103-K105 PolarHBondContact O-N 3.25Å
104V98.2Very high97.7Very high2 Ų221 Ų211%0.01213%0.132CC..  trans-61.1125.4172.3173.70000109.5P61 V64 S99 V102 K106 V107P61-V104 HydrophobicContact CG-CG2 3.86Å; P61-V104 WeakPolarHBondContact O-CG2 3.44Å; V64-V104 HydrophobicContact CB-CG1 4.28Å; V64-V104 HydrophobicContact CG2-CB 4.46Å; V64-V104 HydrophobicContact CG2-CG1 3.82Å; V64-V104 HydrophobicContact CG2-CG2 3.8Å; S99-V104 VanDerWaalsContact O-CB 3.28Å; S99-V104 WeakPolarHBondContact O-CB 3.37Å; S99-V104 VanDerWaalsContact O-CG2 3.3Å; S99-V104 WeakPolarHBondContact O-CG2 3.26Å; S99-V104 PolarHBondContact O-N 3.21Å; V102-V104 HydrophobicContact CG2-CG2 3.86Å; V104-K106 VanDerWaalsContact CG1-O 3.27Å; V104-K106 WeakPolarHBondContact CG1-O 3.42Å; V104-V107 HydrophobicContact CG1-CG2 3.74Å
105K96.4Very high97.6Very high123 Ų12320.7 Ų20.754%0.53513%0.13SC..SBendtrans-77.1-37.6-174.6-62.6-175.1178.8-173.80113.5T62 Y63 G103 L162T62-K105 HydrophobicContact CG2-CD 4.19Å; T62-K105 PolarHBondContact O-N 2.9Å; Y63-K105 HydrophobicContact CD1-CB 4.27Å; Y63-K105 HydrophobicContact CE1-CB 3.86Å; G103-K105 PolarHBondContact O-N 3.25Å; K105-L162 PolarHBondContact O-N 3.39Å
106K98.4Very high97.4Very high11 Ų1121.1 Ų21.15%0.04813%0.132CC..EExtended strand (participates in β ladder)trans-140.7133-179.3-178.6-176.2-63.2-165.80110.7Y63 V64 V104 I108 L162 L229 Y232 N233Y63-K106 WeakPolarHBondContact CA-O 3.37Å; Y63-K106 HydrophobicContact CD1-CB 3.61Å; Y63-K106 HydrophobicContact CE1-CB 3.9Å; V64-K106 PolarHBondContact N-O 3.49Å; V104-K106 VanDerWaalsContact CG1-O 3.27Å; V104-K106 WeakPolarHBondContact CG1-O 3.42Å; K106-I108 HydrophobicContact CD-CD1 4.37Å; K106-I108 HydrophobicContact CD-CG1 4.42Å; K106-I108 HydrophobicContact CG-CG1 4.42Å; K106-L162 WeakPolarHBondContact CA-O 3.27Å; K106-L162 HydrophobicContact CB-CB 4.44Å; K106-L162 HydrophobicContact CD-CD2 4.29Å; K106-L162 HydrophobicContact CG-CB 4.43Å; K106-L162 HydrophobicContact CG-CD2 4.42Å; K106-L162 HydrophobicContact CG-CG 4.16Å; K106-L162 WeakPolarHBondContact CG-O 3.16Å; K106-L229 HydrophobicContact CD-CD1 4.25Å; K106-L229 WeakPolarHBondContact CD-O 3.49Å; K106-L229 PolarHBondContact NZ-O 2.8Å; K106-Y232 PolarHBondContact NZ-O 3.5Å; K106-N233 PolarHBondContact NZ-OD1 3.44Å
107V98.8Very high97.3Very high0 Ų021.4 Ų21.40%013%0.134CC..EExtended strand (participates in β ladder)trans-119.3131.1170.9-178.10000108.5V64 H66 L96 V104 L162 Y163 T164V64-V107 HydrophobicContact CB-CG1 4.27Å; V64-V107 HydrophobicContact CB-CG2 4.16Å; V64-V107 HydrophobicContact CG1-CG1 4.3Å; V64-V107 CarbonylContact O-C 3.59Å; V64-V107 WeakPolarHBondContact O-CA 3.33Å; H66-V107 HydrophobicContact CB-CG1 4.42Å; L96-V107 HydrophobicContact CD2-CB 4.34Å; L96-V107 HydrophobicContact CD2-CG1 3.74Å; V104-V107 HydrophobicContact CG1-CG2 3.74Å; V107-L162 PolarHBondContact N-O 3.26Å; V107-L162 VanDerWaalsContact N-O 3.13Å; V107-Y163 HydrophobicContact CB-CD1 3.73Å; V107-Y163 HydrophobicContact CB-CD2 4.42Å; V107-Y163 HydrophobicContact CB-CE1 4.08Å; V107-Y163 HydrophobicContact CB-CG 3.96Å; V107-Y163 HydrophobicContact CG2-CD1 3.57Å; V107-Y163 HydrophobicContact CG2-CD2 4.23Å; V107-Y163 HydrophobicContact CG2-CE1 3.36Å; V107-Y163 HydrophobicContact CG2-CE2 4.01Å; V107-Y163 HydrophobicContact CG2-CG 4.04Å; V107-T164 PolarHBondContact O-N 3.2Å
108I98.8Very high97Very high1 Ų123.2 Ų23.21%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-114.4105.9169.8-62.7172.3000108.3V64 I65 H66 K106 T164 I166 T228 L229V64-I108 PolarHBondContact O-N 2.84Å; I65-I108 CarbonylContact C-O 3.56Å; I65-I108 WeakPolarHBondContact CA-O 3.16Å; H66-I108 PolarHBondContact N-O 3.25Å; K106-I108 HydrophobicContact CD-CD1 4.37Å; K106-I108 HydrophobicContact CD-CG1 4.42Å; K106-I108 HydrophobicContact CG-CG1 4.42Å; I108-T164 HydrophobicContact CG1-CG2 3.87Å; I108-I166 HydrophobicContact CG2-CG1 4.26Å; I108-I166 HydrophobicContact CG2-CG2 3.8Å; I108-T228 VanDerWaalsContact CD1-C 3.49Å; I108-T228 HydrophobicContact CD1-CG2 3.63Å; I108-T228 HydrophobicContact CG1-CG2 4.33Å; I108-T228 HydrophobicContact CG2-CG2 4.43Å; I108-L229 HydrophobicContact CD1-CB 3.81Å; I108-L229 HydrophobicContact CD1-CD1 4.13Å
109S98.9Very high96.8Very high0 Ų034 Ų340%018%0.182CC..EExtended strand (participates in β ladder)trans-87.9154.7174.4-64.30000111.9T164 S165 I166S109-T164 PolarHBondContact N-O 2.88Å; S109-S165 CarbonylContact O-C 3.56Å; S109-S165 WeakPolarHBondContact O-CA 3.32Å; S109-S165 VanDerWaalsContact O-CB 3.27Å; S109-S165 WeakPolarHBondContact O-CB 3.16Å; S109-I166 PolarHBondContact O-N 2.88Å
110C98.7Very high96.6Very high15 Ų1535.6 Ų35.610%0.10119%0.192CC..EExtended strand (participates in β ladder)trans-104.5113.7178.7-167.80000111.5H66 L67 K145 I166H66-C110 PolarHBondContact O-N 2.92Å; L67-C110 HydrophobicContact CD2-CB 3.82Å; C110-K145 WeakPolarHBondContact O-CE 3.25Å; C110-K145 PolarHBondContact O-NZ 3.2Å; C110-I166 HydrophobicContact CB-CD1 4.46Å; C110-I166 HydrophobicContact CB-CG1 4.34Å
111L98.2Very high96.4Very high3 Ų337.7 Ų37.72%0.01621%0.209CC..  trans-89.5-155.9171.7-49.8-172000110.5I115 K145 I148 S165 I166 I167 P237L111-I115 HydrophobicContact CB-CD1 3.86Å; L111-I115 HydrophobicContact CD1-CD1 3.68Å; L111-I115 HydrophobicContact CG-CD1 4.34Å; L111-K145 VanDerWaalsContact CD2-O 3.3Å; L111-K145 WeakPolarHBondContact CD2-O 3.43Å; L111-I148 HydrophobicContact CD2-CB 3.76Å; L111-I148 HydrophobicContact CD2-CD1 3.92Å; L111-I148 HydrophobicContact CD2-CG1 4.39Å; L111-I148 HydrophobicContact CD2-CG2 3.88Å; L111-S165 VanDerWaalsContact CD1-OG 3.27Å; L111-S165 WeakPolarHBondContact CD1-OG 3.3Å; L111-I166 WeakPolarHBondContact CB-O 3.03Å; L111-I166 PolarHBondContact N-O 3.4Å; L111-I167 HydrophobicContact CB-CG1 4.13Å; L111-I167 HydrophobicContact CD1-CD1 4.24Å; L111-I167 HydrophobicContact CD1-CG1 4.02Å; L111-I167 HydrophobicContact CG-CG1 4.43Å; L111-P237 HydrophobicContact CD1-CG 4.43Å
112S94.9Very high96.2Very high29 Ų2939 Ų3920%0.20320%0.204CC..  trans-161.2153.1178.1175.10000110.1C114 I115S112-C114 PolarHBondContact O-N 3.1Å; S112-C114 VanDerWaalsContact O-N 3.16Å; S112-C114 PolarHBondContact OG-N 2.98Å; S112-C114 PolarHBondContact OG-SG 2.75Å; S112-I115 WeakPolarHBondContact O-CD1 3.12Å; S112-I115 WeakPolarHBondContact O-CG1 3.29Å; S112-I115 WeakPolarHBondContact O-CG2 3.41Å; S112-I115 PolarHBondContact O-N 3.38Å; S112-I115 VanDerWaalsContact O-N 3.16Å
113T94Very high96.2Very high11 Ų1139.9 Ų39.97%0.06721%0.21CC..G310 helixtrans-65-14.4173.454.20000114.7I115 F116 I167 T169 A281T113-I115 PolarHBondContact O-N 3.23Å; T113-F116 HydrophobicContact CG2-CD2 4.44Å; T113-F116 HydrophobicContact CG2-CE2 4.24Å; T113-F116 WeakPolarHBondContact O-CD2 3.29Å; T113-F116 PolarHBondContact O-N 3.1Å; T113-I167 HydrophobicContact CG2-CG2 4.23Å; T113-T169 HydrophobicContact CG2-CG2 3.75Å; T113-A281 HydrophobicContact CG2-CB 4.34Å
114C91.5Very high96.1Very high19 Ų1937.4 Ų37.413%0.12818%0.184CC..G310 helixtrans-71.1-7.4173.669.20000114.1S112 F116 Y141 S142S112-C114 PolarHBondContact O-N 3.1Å; S112-C114 VanDerWaalsContact O-N 3.16Å; S112-C114 PolarHBondContact OG-N 2.98Å; S112-C114 PolarHBondContact OG-SG 2.75Å; C114-F116 VanDerWaalsContact C-N 3.34Å; C114-Y141 VanDerWaalsContact SG-CE1 3.57Å; C114-S142 PolarHBondContact O-OG 3.47Å
115I95.9Very high96.1Very high0 Ų039.5 Ų39.50%020%0.195CC..G310 helixtrans-78.2-20.9174.278.6-170.4000112L111 S112 T113 V129 K145 R146 I167L111-I115 HydrophobicContact CB-CD1 3.86Å; L111-I115 HydrophobicContact CD1-CD1 3.68Å; L111-I115 HydrophobicContact CG-CD1 4.34Å; S112-I115 WeakPolarHBondContact O-CD1 3.12Å; S112-I115 WeakPolarHBondContact O-CG1 3.29Å; S112-I115 WeakPolarHBondContact O-CG2 3.41Å; S112-I115 PolarHBondContact O-N 3.38Å; S112-I115 VanDerWaalsContact O-N 3.16Å; T113-I115 PolarHBondContact O-N 3.23Å; I115-V129 HydrophobicContact CD1-CG1 3.78Å; I115-V129 HydrophobicContact CD1-CG2 4.17Å; I115-V129 HydrophobicContact CG1-CG1 4.12Å; I115-K145 HydrophobicContact CG2-CB 3.52Å; I115-K145 HydrophobicContact CG2-CG 4.46Å; I115-R146 HydrophobicContact CB-CG 3.95Å; I115-R146 PolarHBondContact O-NE 3.19Å; I115-R146 PolarHBondContact O-NH2 3.32Å; I115-I167 HydrophobicContact CD1-CD1 4.43Å
116F96.6Very high96.2Very high10 Ų1034.3 Ų34.34%0.04417%0.173CC..SBendtrans-66.8157.6-175.8-73.7-72.6000111.6T113 C114 I124 D125 M128 V129 I167 I239T113-F116 HydrophobicContact CG2-CD2 4.44Å; T113-F116 HydrophobicContact CG2-CE2 4.24Å; T113-F116 WeakPolarHBondContact O-CD2 3.29Å; T113-F116 PolarHBondContact O-N 3.1Å; C114-F116 VanDerWaalsContact C-N 3.34Å; F116-I124 HydrophobicContact CB-CD1 3.97Å; F116-I124 HydrophobicContact CD1-CB 4.26Å; F116-I124 HydrophobicContact CD1-CD1 4.4Å; F116-I124 HydrophobicContact CD1-CG1 4.46Å; F116-I124 HydrophobicContact CD2-CD1 3.28Å; F116-I124 HydrophobicContact CD2-CG1 3.9Å; F116-I124 HydrophobicContact CE1-CB 4.43Å; F116-I124 HydrophobicContact CE2-CD1 3.78Å; F116-I124 HydrophobicContact CE2-CG1 3.96Å; F116-I124 HydrophobicContact CG-CB 4.33Å; F116-I124 HydrophobicContact CG-CD1 3.64Å; F116-I124 HydrophobicContact CG-CG1 4.17Å; F116-I124 HydrophobicContact CZ-CG1 4.29Å; F116-D125 WeakPolarHBondContact CE1-O 3.46Å; F116-M128 HydrophobicContact CD1-CB 4.35Å; F116-M128 HydrophobicContact CE1-CB 4.41Å; F116-V129 HydrophobicContact CD1-CG2 4.23Å; F116-V129 HydrophobicContact CE1-CB 4.32Å; F116-V129 HydrophobicContact CE1-CG2 3.53Å; F116-V129 HydrophobicContact CZ-CG2 4.02Å; F116-I167 HydrophobicContact CE2-CD1 4.38Å; F116-I167 HydrophobicContact CE2-CG2 3.87Å; F116-I167 HydrophobicContact CZ-CD1 3.84Å; F116-I167 HydrophobicContact CZ-CG2 4.35Å; F116-I239 HydrophobicContact CZ-CD1 4.17Å
117P95.9Very high96.2Very high6 Ų638.8 Ų38.84%0.03920%0.201CC..  trans-56.7141.7178.1-23.933.7000112.2M128 N131 P133P117-M128 VanDerWaalsContact CD-O 3.23Å; P117-M128 WeakPolarHBondContact CD-O 3.4Å; P117-M128 WeakPolarHBondContact CG-O 3.21Å; P117-N131 HydrophobicContact CG-CB 4.23Å; P117-P133 CarbonylContact C-O 3.56Å; P117-P133 VanDerWaalsContact CA-O 3.23Å; P117-P133 WeakPolarHBondContact CA-O 3.38Å
118D92.9Very high96.1Very high62 Ų6239.7 Ų39.733%0.33221%0.205SC..SBendtrans-64.4-44.3176179.749.6000111.6P133 H135 Q276D118-P133 PolarHBondContact N-O 2.91Å; D118-H135 HydrophobicContact CB-CB 4.13Å; D118-H135 IonicContact OD1-CD2 3.96Å; D118-H135 PolarHBondContact OD1-CD2 2.93Å; D118-H135 VanDerWaalsContact OD1-CD2 3.24Å; D118-H135 IonicContact OD1-CG 3.42Å; D118-H135 IonicContact OD2-CD2 3.91Å; D118-Q276 PolarHBondContact OD1-NE2 3.23Å
119R93Very high96.1Very high228 Ų22839.7 Ų39.786%0.8621%0.205SC*.SBendtrans-95.998.9174.1-62.5-176.8-175.8-177.71.2109.1
120T94.5Very high96.1Very high34 Ų3442.9 Ų42.921%0.20922%0.22CC..  trans-141.3159.9-176.2-170.60000112.3Y122 I124 M128T120-Y122 HydrophobicContact CG2-CE1 4.02Å; T120-Y122 HydrophobicContact CG2-CE2 4.16Å; T120-I124 HydrophobicContact CG2-CG2 3.63Å; T120-M128 WeakPolarHBondContact OG1-CE 3.48Å
121T95.6Very high96Very high104 Ų10447.3 Ų47.364%0.63824%0.243SC*.  trans-80.3160.5162.553.60000110.3I124 M128T121-I124 WeakPolarHBondContact O-CG2 3.42Å; T121-M128 VanDerWaalsContact OG1-CE 3.27Å; T121-M128 WeakPolarHBondContact OG1-CE 3.47Å
122Y94.2Very high96Very high79 Ų7948.5 Ų48.531%0.3126%0.256SS..SBendtrans-125.5149.6178.4-66-81.7000110.8T120 I124 K278T120-Y122 HydrophobicContact CG2-CE1 4.02Å; T120-Y122 HydrophobicContact CG2-CE2 4.16Å; Y122-I124 HydrophobicContact CD1-CG2 4.1Å; Y122-I124 HydrophobicContact CE1-CG2 4.19Å; Y122-K278 HydrophobicContact CD1-CG 4.47Å; Y122-K278 HydrophobicContact CD2-CD 4.36Å; Y122-K278 HydrophobicContact CD2-CG 4.34Å; Y122-K278 HydrophobicContact CE1-CG 4.29Å; Y122-K278 HydrophobicContact CE2-CG 4.11Å; Y122-K278 HydrophobicContact CG-CD 4.41Å; Y122-K278 HydrophobicContact CG-CG 4.48Å; Y122-K278 PolarHBondContact OH-O 2.9Å
123P96.4Very high96.1Very high45 Ų4551 Ų5129%0.29227%0.272SS..SBendcis-69.2154-4.133.6-38.9000112.1E244 T280 N282P123-E244 HydrophobicContact CB-CG 4.29Å; P123-E244 WeakPolarHBondContact CB-OE1 3.41Å; P123-E244 VanDerWaalsContact CG-OE1 3.26Å; P123-E244 WeakPolarHBondContact CG-OE1 3.44Å; P123-T280 CarbonylContact C-O 3.6Å; P123-T280 WeakPolarHBondContact CA-O 3.46Å; P123-T280 HydrophobicContact CB-CG2 4.33Å; P123-N282 HydrophobicContact CB-CB 3.98Å; P123-N282 HydrophobicContact CG-CB 4.09Å
124I97.1Very high96.2Very high3 Ų350.6 Ų50.62%0.01527%0.269CS..BIsolated β-bridgetrans-84.8134.4174.962.8-159.6000110.2F116 T120 T121 Y122 M128 T280 A281 N282F116-I124 HydrophobicContact CB-CD1 3.97Å; F116-I124 HydrophobicContact CD1-CB 4.26Å; F116-I124 HydrophobicContact CD1-CD1 4.4Å; F116-I124 HydrophobicContact CD1-CG1 4.46Å; F116-I124 HydrophobicContact CD2-CD1 3.28Å; F116-I124 HydrophobicContact CD2-CG1 3.9Å; F116-I124 HydrophobicContact CE1-CB 4.43Å; F116-I124 HydrophobicContact CE2-CD1 3.78Å; F116-I124 HydrophobicContact CE2-CG1 3.96Å; F116-I124 HydrophobicContact CG-CB 4.33Å; F116-I124 HydrophobicContact CG-CD1 3.64Å; F116-I124 HydrophobicContact CG-CG1 4.17Å; F116-I124 HydrophobicContact CZ-CG1 4.29Å; T120-I124 HydrophobicContact CG2-CG2 3.63Å; T121-I124 WeakPolarHBondContact O-CG2 3.42Å; Y122-I124 HydrophobicContact CD1-CG2 4.1Å; Y122-I124 HydrophobicContact CE1-CG2 4.19Å; I124-M128 HydrophobicContact CB-SD 4.35Å; I124-M128 HydrophobicContact CG2-SD 4.47Å; I124-T280 WeakPolarHBondContact CG1-O 3.31Å; I124-T280 PolarHBondContact N-O 3.27Å; I124-A281 HydrophobicContact CD1-CB 4.46Å; I124-A281 HydrophobicContact CG1-CB 4.02Å; I124-A281 WeakPolarHBondContact O-CA 3.48Å; I124-N282 WeakPolarHBondContact O-CB 3.42Å; I124-N282 PolarHBondContact O-N 3.4Å
125D98.1Very high96.2Very high46 Ų4653.1 Ų53.125%0.24628%0.279CS..  trans-115.3175.5175.57044.6000112.2F116 T127 M128 N282F116-D125 WeakPolarHBondContact CE1-O 3.46Å; D125-T127 PolarHBondContact O-N 3.16Å; D125-T127 WeakPolarHBondContact OD1-CA 3.4Å; D125-T127 VanDerWaalsContact OD1-CB 3.27Å; D125-T127 WeakPolarHBondContact OD1-CB 3.36Å; D125-T127 PolarHBondContact OD1-N 3.03Å; D125-T127 PolarHBondContact OD1-OG1 3.14Å; D125-M128 PolarHBondContact O-N 2.96Å; D125-M128 VanDerWaalsContact O-N 3.1Å; D125-M128 PolarHBondContact OD1-N 3.44Å; D125-N282 HydrophobicContact CB-CB 4.17Å
126E98.2Very high96Very high15 Ų1559.3 Ų59.37%0.0731%0.312CS..G310 helixtrans-66.2-18.4-174.6-55.698154.100114.3M128 V129 I167 P237 I238 I239 K285E126-M128 VanDerWaalsContact C-N 3.26Å; E126-M128 PolarHBondContact O-N 2.8Å; E126-V129 WeakPolarHBondContact O-CG2 3.48Å; E126-I167 HydrophobicContact CG-CD1 4.44Å; E126-P237 HydrophobicContact CB-CB 4.41Å; E126-P237 WeakPolarHBondContact CB-O 3.47Å; E126-P237 VanDerWaalsContact CG-O 3.29Å; E126-P237 WeakPolarHBondContact CG-O 3.43Å; E126-I238 WeakPolarHBondContact OE1-CA 3.36Å; E126-I239 HydrophobicContact CG-CB 4.36Å; E126-I239 HydrophobicContact CG-CD1 3.85Å; E126-I239 HydrophobicContact CG-CG1 3.8Å; E126-I239 PolarHBondContact OE1-N 2.93Å; E126-K285 WeakPolarHBondContact OE1-CB 3.44Å; E126-K285 WeakPolarHBondContact OE2-CE 3.43Å; E126-K285 IonicContact OE2-NZ 2.74Å
127T97.8Very high95.7Very high104 Ų10459.5 Ų59.564%0.63831%0.314SS*.G310 helixtrans-76.8-17.3177.176.70000112.2D125D125-T127 PolarHBondContact O-N 3.16Å; D125-T127 WeakPolarHBondContact OD1-CA 3.4Å; D125-T127 VanDerWaalsContact OD1-CB 3.27Å; D125-T127 WeakPolarHBondContact OD1-CB 3.36Å; D125-T127 PolarHBondContact OD1-N 3.03Å; D125-T127 PolarHBondContact OD1-OG1 3.14Å
128M98.2Very high95.5Very high20 Ų2060 Ų6010%0.09932%0.317CS..G310 helixtrans-89.4-2.6-172.3-59.417876.300114.5F116 P117 T120 T121 I124 D125 E126 H130 N131F116-M128 HydrophobicContact CD1-CB 4.35Å; F116-M128 HydrophobicContact CE1-CB 4.41Å; P117-M128 VanDerWaalsContact CD-O 3.23Å; P117-M128 WeakPolarHBondContact CD-O 3.4Å; P117-M128 WeakPolarHBondContact CG-O 3.21Å; T120-M128 WeakPolarHBondContact OG1-CE 3.48Å; T121-M128 VanDerWaalsContact OG1-CE 3.27Å; T121-M128 WeakPolarHBondContact OG1-CE 3.47Å; I124-M128 HydrophobicContact CB-SD 4.35Å; I124-M128 HydrophobicContact CG2-SD 4.47Å; D125-M128 PolarHBondContact O-N 2.96Å; D125-M128 VanDerWaalsContact O-N 3.1Å; D125-M128 PolarHBondContact OD1-N 3.44Å; E126-M128 VanDerWaalsContact C-N 3.26Å; E126-M128 PolarHBondContact O-N 2.8Å; M128-H130 PolarHBondContact O-N 3.42Å; M128-H130 VanDerWaalsContact O-N 3.07Å; M128-N131 PolarHBondContact O-N 3.26Å; M128-N131 VanDerWaalsContact O-N 3.15Å
129V97.8Very high95.6Very high1 Ų162.2 Ų62.21%0.00632%0.321CS..THydrogen-bonded Turntrans-50.8-38.7-173.6171.90000113I115 F116 E126 R146 I167I115-V129 HydrophobicContact CD1-CG1 3.78Å; I115-V129 HydrophobicContact CD1-CG2 4.17Å; I115-V129 HydrophobicContact CG1-CG1 4.12Å; F116-V129 HydrophobicContact CD1-CG2 4.23Å; F116-V129 HydrophobicContact CE1-CB 4.32Å; F116-V129 HydrophobicContact CE1-CG2 3.53Å; F116-V129 HydrophobicContact CZ-CG2 4.02Å; E126-V129 WeakPolarHBondContact O-CG2 3.48Å; V129-R146 HydrophobicContact CG1-CG 4.11Å; V129-R146 PolarHBondContact O-NE 3.03Å; V129-R146 VanDerWaalsContact O-NE 3.12Å; V129-R146 PolarHBondContact O-NH2 3.15Å; V129-I167 HydrophobicContact CG2-CD1 3.93Å
130H98.3Very high95.8Very high66 Ų6651.4 Ų51.431%0.30628%0.281SS..THydrogen-bonded Turntrans-107.99.5-174-58.7-78.3000114.4M128 G132 D149M128-H130 PolarHBondContact O-N 3.42Å; M128-H130 VanDerWaalsContact O-N 3.07Å; H130-G132 PolarHBondContact O-N 2.93Å; H130-D149 IonicContact CD2-OD2 3.51Å; H130-D149 IonicContact CE1-OD2 2.98Å; H130-D149 IonicContact NE2-OD2 3.1Å; H130-D149 PolarHBondContact NE2-OD2 3.31Å
131N98Very high95.9Very high109 Ų10951.2 Ų51.258%0.58328%0.276SS*.SBendtrans-81.134.8-171.5-68.4-2.5000114.3P117 M128P117-N131 HydrophobicContact CG-CB 4.23Å; M128-N131 PolarHBondContact O-N 3.26Å; M128-N131 VanDerWaalsContact O-N 3.15Å
132G97.2Very high96Very high28 Ų2846.3 Ų46.329%0.28925%0.246SC..SBendtrans139169.4-178.100000112.8H130 R146H130-G132 PolarHBondContact O-N 2.93Å; G132-R146 PolarHBondContact O-NH1 3.39Å; G132-R146 PolarHBondContact O-NH2 3.48Å
133P97.5Very high96.2Very high82 Ų8246.6 Ų46.653%0.53225%0.247SC..PPolyproline II helixtrans-67.9145.3-177.828.7-34.9000112P117 D118P117-P133 CarbonylContact C-O 3.56Å; P117-P133 VanDerWaalsContact CA-O 3.23Å; P117-P133 WeakPolarHBondContact CA-O 3.38Å; D118-P133 PolarHBondContact N-O 2.91Å
134P95.4Very high96.3Very high2 Ų244.4 Ų44.41%0.01323%0.233CC..PPolyproline II helixtrans-70.1173168.834.4-34000110.5Y143P134-Y143 WeakPolarHBondContact CD-OH 3.36Å; P134-Y143 HydrophobicContact CG-CD2 4.07Å; P134-Y143 HydrophobicContact CG-CE1 4.33Å; P134-Y143 HydrophobicContact CG-CE2 3.78Å; P134-Y143 HydrophobicContact CG-CG 4.46Å
135H92.4Very high96.3Very high72 Ų7244.4 Ų44.433%0.33323%0.233SC..PPolyproline II helixtrans-66.3141.7178.3-173.6-95.6000112.2D118 S137 N138 Y139D118-H135 HydrophobicContact CB-CB 4.13Å; D118-H135 IonicContact OD1-CD2 3.96Å; D118-H135 PolarHBondContact OD1-CD2 2.93Å; D118-H135 VanDerWaalsContact OD1-CD2 3.24Å; D118-H135 IonicContact OD1-CG 3.42Å; D118-H135 IonicContact OD2-CD2 3.91Å; H135-S137 VanDerWaalsContact ND1-CB 3.3Å; H135-S137 WeakPolarHBondContact ND1-CB 3.38Å; H135-S137 PolarHBondContact ND1-N 3.07Å; H135-S137 PolarHBondContact ND1-OG 2.97Å; H135-S137 PolarHBondContact O-N 3.46Å; H135-S137 VanDerWaalsContact O-N 3.14Å; H135-N138 PolarHBondContact O-N 3.43Å; H135-Y139 PolarHBondContact O-N 3.36Å
136D92Very high96.4Very high130 Ų13042.7 Ų42.770%0.69522%0.223SC*.THydrogen-bonded Turntrans-66.9-16.3-173.1-68.5-26.4000114.1N138 Y139D136-N138 PolarHBondContact O-N 3.41Å; D136-Y139 VanDerWaalsContact O-CD1 3.31Å; D136-Y139 WeakPolarHBondContact O-CD1 3.45Å
137S89.3Confident96.4Very high14 Ų1444.7 Ų44.710%0.09823%0.233CC..THydrogen-bonded Turntrans-64.1-28.5179.959.30000113.8N77 M78 H135N77-S137 CarbonylContact C-O 3.48Å; M78-S137 WeakPolarHBondContact CA-O 3.18Å; M78-S137 WeakPolarHBondContact CG-O 3.49Å; M78-S137 PolarHBondContact N-O 2.81Å; H135-S137 VanDerWaalsContact ND1-CB 3.3Å; H135-S137 WeakPolarHBondContact ND1-CB 3.38Å; H135-S137 PolarHBondContact ND1-N 3.07Å; H135-S137 PolarHBondContact ND1-OG 2.97Å; H135-S137 PolarHBondContact O-N 3.46Å; H135-S137 VanDerWaalsContact O-N 3.14Å
138N91.7Very high96.4Very high17 Ų1739.8 Ų39.89%0.09120%0.203CC..SBendtrans-147.230.8-171.467.1-49000111.7N77 N81 H135 D136 G140 Y141 S142N77-N138 HydrophobicContact CB-CB 3.57Å; N81-N138 VanDerWaalsContact OD1-CA 3.31Å; N81-N138 WeakPolarHBondContact OD1-CA 3.27Å; H135-N138 PolarHBondContact O-N 3.43Å; D136-N138 PolarHBondContact O-N 3.41Å; N138-G140 PolarHBondContact O-N 3.1Å; N138-G140 VanDerWaalsContact O-N 3.16Å; N138-Y141 PolarHBondContact O-N 2.97Å; N138-S142 PolarHBondContact ND2-OG 2.92Å; N138-S142 PolarHBondContact O-N 3.1Å; N138-S142 PolarHBondContact O-OG 2.96Å
139Y95.1Very high96.4Very high108 Ų10838.8 Ų38.842%0.42420%0.198SC..Hα-helixtrans-55.1-35.4-175.269.2-95.5000112.5N81 H135 D136 S142 Y143N81-Y139 HydrophobicContact CB-CD1 4.25Å; N81-Y139 HydrophobicContact CB-CE1 3.63Å; N81-Y139 HydrophobicContact CB-CE2 4.02Å; N81-Y139 VanDerWaalsContact CB-CZ 3.49Å; N81-Y139 VanDerWaalsContact CG-CE1 3.4Å; N81-Y139 PolarHBondContact OD1-N 3.3Å; H135-Y139 PolarHBondContact O-N 3.36Å; D136-Y139 VanDerWaalsContact O-CD1 3.31Å; D136-Y139 WeakPolarHBondContact O-CD1 3.45Å; Y139-S142 PolarHBondContact O-N 3.16Å; Y139-Y143 HydrophobicContact CD2-CD2 4.39Å; Y139-Y143 WeakPolarHBondContact O-CB 3.31Å; Y139-Y143 WeakPolarHBondContact O-CD2 3.44Å; Y139-Y143 PolarHBondContact O-N 2.92Å
140G96.9Very high96.5Very high1 Ų142.1 Ų42.11%0.0122%0.218CC..Hα-helixtrans-63-48.7-179.800000112.4N81 F85 N138 A144N81-G140 WeakPolarHBondContact O-CA 3.34Å; N81-G140 PolarHBondContact OD1-N 2.86Å; F85-G140 WeakPolarHBondContact CA-O 3.5Å; F85-G140 WeakPolarHBondContact CD2-O 3.47Å; N138-G140 PolarHBondContact O-N 3.1Å; N138-G140 VanDerWaalsContact O-N 3.16Å; G140-A144 WeakPolarHBondContact O-CB 3.37Å; G140-A144 PolarHBondContact O-N 2.72Å; G140-A144 VanDerWaalsContact O-N 3.14Å
141Y96.9Very high96.5Very high30 Ų3040.5 Ų40.512%0.11821%0.211CC..Hα-helixtrans-63.1-46.9172.4176.7-92.8000111.5V71 N77 F84 C114 N138 Y143 A144 K145V71-Y141 HydrophobicContact CG1-CE2 4.34Å; N77-Y141 WeakPolarHBondContact OD1-CB 3.31Å; F84-Y141 HydrophobicContact CD1-CD2 4.18Å; C114-Y141 VanDerWaalsContact SG-CE1 3.57Å; N138-Y141 PolarHBondContact O-N 2.97Å; Y141-Y143 PolarHBondContact O-N 2.77Å; Y141-A144 PolarHBondContact O-N 3.24Å; Y141-K145 HydrophobicContact CD1-CG 4.26Å; Y141-K145 HydrophobicContact CE1-CG 3.79Å; Y141-K145 HydrophobicContact CE2-CG 4.17Å; Y141-K145 PolarHBondContact O-N 3.14Å; Y141-K145 WeakPolarHBondContact OH-CE 3.47Å
142S96.8Very high96.5Very high0 Ų035.3 Ų35.30%018%0.184CC..Hα-helixtrans-61.4-46.3-176.5-69.30000112.4C114 N138 Y139 K145 R146C114-S142 PolarHBondContact O-OG 3.47Å; N138-S142 PolarHBondContact ND2-OG 2.92Å; N138-S142 PolarHBondContact O-N 3.1Å; N138-S142 PolarHBondContact O-OG 2.96Å; Y139-S142 PolarHBondContact O-N 3.16Å; S142-K145 PolarHBondContact O-N 2.98Å; S142-R146 WeakPolarHBondContact O-CG 3.42Å; S142-R146 PolarHBondContact O-N 3.38Å
143Y98.5Very high96.5Very high85 Ų8539 Ų3933%0.33319%0.189SC..Hα-helixtrans-67-41.5176.2-79.4-63.3000112.1P134 Y139 Y141 K145 R146 M147P134-Y143 WeakPolarHBondContact CD-OH 3.36Å; P134-Y143 HydrophobicContact CG-CD2 4.07Å; P134-Y143 HydrophobicContact CG-CE1 4.33Å; P134-Y143 HydrophobicContact CG-CE2 3.78Å; P134-Y143 HydrophobicContact CG-CG 4.46Å; Y139-Y143 HydrophobicContact CD2-CD2 4.39Å; Y139-Y143 WeakPolarHBondContact O-CB 3.31Å; Y139-Y143 WeakPolarHBondContact O-CD2 3.44Å; Y139-Y143 PolarHBondContact O-N 2.92Å; Y141-Y143 PolarHBondContact O-N 2.77Å; Y143-K145 PolarHBondContact O-N 3.47Å; Y143-R146 WeakPolarHBondContact O-CB 3.33Å; Y143-R146 PolarHBondContact O-N 3.2Å; Y143-R146 VanDerWaalsContact O-N 3.1Å; Y143-M147 WeakPolarHBondContact O-CG 3.49Å; Y143-M147 PolarHBondContact O-N 2.86Å
144A98.5Very high96.5Very high0 Ų036.5 Ų36.50%018%0.178CC..Hα-helixtrans-59.8-36.9175.900000112.2F85 N88 M89 N92 G140 Y141F85-A144 HydrophobicContact CD2-CB 4.09Å; N88-A144 HydrophobicContact CB-CB 3.68Å; M89-A144 HydrophobicContact CG-CB 4.05Å; M89-A144 HydrophobicContact SD-CB 4.09Å; N92-A144 PolarHBondContact ND2-O 3.44Å; G140-A144 WeakPolarHBondContact O-CB 3.37Å; G140-A144 PolarHBondContact O-N 2.72Å; G140-A144 VanDerWaalsContact O-N 3.14Å; Y141-A144 PolarHBondContact O-N 3.24Å
145K98.5Very high96.7Very high3 Ų338 Ų381%0.01318%0.183CC..Hα-helixtrans-70.2-40.9171.9-72.7-62.7-169.8176.60112.6C110 L111 I115 Y141 S142 Y143 M147 I148C110-K145 WeakPolarHBondContact O-CE 3.25Å; C110-K145 PolarHBondContact O-NZ 3.2Å; L111-K145 VanDerWaalsContact CD2-O 3.3Å; L111-K145 WeakPolarHBondContact CD2-O 3.43Å; I115-K145 HydrophobicContact CG2-CB 3.52Å; I115-K145 HydrophobicContact CG2-CG 4.46Å; Y141-K145 HydrophobicContact CD1-CG 4.26Å; Y141-K145 HydrophobicContact CE1-CG 3.79Å; Y141-K145 HydrophobicContact CE2-CG 4.17Å; Y141-K145 PolarHBondContact O-N 3.14Å; Y141-K145 WeakPolarHBondContact OH-CE 3.47Å; S142-K145 PolarHBondContact O-N 2.98Å; Y143-K145 PolarHBondContact O-N 3.47Å; K145-M147 PolarHBondContact O-N 3.36Å; K145-I148 HydrophobicContact CD-CD1 3.7Å; K145-I148 VanDerWaalsContact O-CB 3.29Å; K145-I148 WeakPolarHBondContact O-CB 3.31Å; K145-I148 PolarHBondContact O-N 3.24Å; K145-I148 VanDerWaalsContact O-N 3.1Å
146R98.6Very high96.8Very high9 Ų935.6 Ų35.63%0.03418%0.175CC..Hα-helixtrans-57.9-35.9173.4-74.7-171.4-175.2-170.7-1112.7I115 V129 G132 S142 Y143 I148 D149 V150I115-R146 HydrophobicContact CB-CG 3.95Å; I115-R146 PolarHBondContact O-NE 3.19Å; I115-R146 PolarHBondContact O-NH2 3.32Å; V129-R146 HydrophobicContact CG1-CG 4.11Å; V129-R146 PolarHBondContact O-NE 3.03Å; V129-R146 VanDerWaalsContact O-NE 3.12Å; V129-R146 PolarHBondContact O-NH2 3.15Å; G132-R146 PolarHBondContact O-NH1 3.39Å; G132-R146 PolarHBondContact O-NH2 3.48Å; S142-R146 WeakPolarHBondContact O-CG 3.42Å; S142-R146 PolarHBondContact O-N 3.38Å; Y143-R146 WeakPolarHBondContact O-CB 3.33Å; Y143-R146 PolarHBondContact O-N 3.2Å; Y143-R146 VanDerWaalsContact O-N 3.1Å; R146-I148 PolarHBondContact O-N 3.29Å; R146-D149 WeakPolarHBondContact O-CB 3.33Å; R146-D149 PolarHBondContact O-N 2.76Å; R146-D149 VanDerWaalsContact O-N 3.11Å; R146-V150 PolarHBondContact O-N 2.95Å
147M98.7Very high97Very high58 Ų5837 Ų3729%0.28618%0.177SC..Hα-helixtrans-67.8-19.2179.5-66.5-54.993.600113.2M89 Y143 K145 D149 V150 M151M89-M147 HydrophobicContact CE-CB 3.97Å; M89-M147 HydrophobicContact CE-CG 4.26Å; M89-M147 HydrophobicContact SD-CB 3.67Å; M89-M147 HydrophobicContact SD-CG 3.92Å; Y143-M147 WeakPolarHBondContact O-CG 3.49Å; Y143-M147 PolarHBondContact O-N 2.86Å; K145-M147 PolarHBondContact O-N 3.36Å; M147-D149 VanDerWaalsContact C-N 3.35Å; M147-V150 HydrophobicContact CE-CG2 3.68Å; M147-V150 PolarHBondContact O-N 3.02Å; M147-V150 HydrophobicContact SD-CB 4.44Å; M147-V150 HydrophobicContact SD-CG2 4.15Å; M147-M151 WeakPolarHBondContact O-CB 3.36Å; M147-M151 WeakPolarHBondContact O-CE 3.34Å; M147-M151 WeakPolarHBondContact O-CG 3.33Å; M147-M151 PolarHBondContact O-N 3.22Å
148I98.8Very high97.4Very high0 Ų040.9 Ų40.90%020%0.201CC..Hα-helixtrans-60.3-46.6168.7-64.8172.9000110.4N92 L111 K145 R146 V150 M151 N152N92-I148 HydrophobicContact CB-CG1 4.04Å; N92-I148 WeakPolarHBondContact ND2-CG1 3.39Å; L111-I148 HydrophobicContact CD2-CB 3.76Å; L111-I148 HydrophobicContact CD2-CD1 3.92Å; L111-I148 HydrophobicContact CD2-CG1 4.39Å; L111-I148 HydrophobicContact CD2-CG2 3.88Å; K145-I148 HydrophobicContact CD-CD1 3.7Å; K145-I148 VanDerWaalsContact O-CB 3.29Å; K145-I148 WeakPolarHBondContact O-CB 3.31Å; K145-I148 PolarHBondContact O-N 3.24Å; K145-I148 VanDerWaalsContact O-N 3.1Å; R146-I148 PolarHBondContact O-N 3.29Å; I148-V150 VanDerWaalsContact C-N 3.3Å; I148-V150 PolarHBondContact O-N 3.13Å; I148-M151 HydrophobicContact CG1-CE 4.38Å; I148-M151 PolarHBondContact O-N 2.82Å; I148-N152 WeakPolarHBondContact O-CB 3.33Å; I148-N152 PolarHBondContact O-N 3.15Å; I148-N152 PolarHBondContact O-OD1 3.48Å
149D98.6Very high97.6Very high0 Ų045 Ų450%022%0.218CC..Hα-helixtrans-62.9-38.9178.7175.854.8000111.3H130 R146 M147 N152 R153 P237H130-D149 IonicContact CD2-OD2 3.51Å; H130-D149 IonicContact CE1-OD2 2.98Å; H130-D149 IonicContact NE2-OD2 3.1Å; H130-D149 PolarHBondContact NE2-OD2 3.31Å; R146-D149 WeakPolarHBondContact O-CB 3.33Å; R146-D149 PolarHBondContact O-N 2.76Å; R146-D149 VanDerWaalsContact O-N 3.11Å; M147-D149 VanDerWaalsContact C-N 3.35Å; D149-N152 PolarHBondContact O-N 3.03Å; D149-R153 VanDerWaalsContact O-CG 3.31Å; D149-R153 WeakPolarHBondContact O-CG 3.19Å; D149-R153 PolarHBondContact O-N 3.31Å; D149-R153 IonicContact OD1-CZ 3.96Å; D149-R153 IonicContact OD1-NE 3.31Å; D149-R153 PolarHBondContact OD1-NE 3.32Å; D149-R153 IonicContact OD1-NH2 3.68Å; D149-R153 IonicContact OD2-CZ 3.24Å; D149-R153 VanDerWaalsContact OD2-CZ 3.24Å; D149-R153 IonicContact OD2-NE 3.16Å; D149-R153 PolarHBondContact OD2-NE 3.19Å; D149-R153 VanDerWaalsContact OD2-NE 3.16Å; D149-R153 IonicContact OD2-NH2 2.74Å; D149-R153 PolarHBondContact OD2-NH2 2.82Å; D149-P237 WeakPolarHBondContact OD1-CD 3.46Å; D149-P237 WeakPolarHBondContact OD1-CG 3.3Å
150V98.5Very high97.4Very high70 Ų7047.4 Ų47.442%0.42424%0.238SC..Hα-helixtrans-63.1-46.8174.2-179.90000111.5R146 M147 I148 R153 G154R146-V150 PolarHBondContact O-N 2.95Å; M147-V150 HydrophobicContact CE-CG2 3.68Å; M147-V150 PolarHBondContact O-N 3.02Å; M147-V150 HydrophobicContact SD-CB 4.44Å; M147-V150 HydrophobicContact SD-CG2 4.15Å; I148-V150 VanDerWaalsContact C-N 3.3Å; I148-V150 PolarHBondContact O-N 3.13Å; V150-R153 PolarHBondContact O-N 2.92Å; V150-G154 PolarHBondContact O-N 3.14Å
151M98.5Very high97.4Very high33 Ų3348.7 Ų48.716%0.16325%0.245CC..Hα-helixtrans-63.4-43.2177.2-73.1-175.9-71.600111.7N92 L96 M147 I148 R153 G154 Y155N92-M151 HydrophobicContact CB-CE 3.75Å; L96-M151 HydrophobicContact CD1-CB 3.6Å; L96-M151 HydrophobicContact CD1-CE 3.78Å; L96-M151 HydrophobicContact CD1-CG 4.39Å; L96-M151 HydrophobicContact CD1-SD 3.97Å; M147-M151 WeakPolarHBondContact O-CB 3.36Å; M147-M151 WeakPolarHBondContact O-CE 3.34Å; M147-M151 WeakPolarHBondContact O-CG 3.33Å; M147-M151 PolarHBondContact O-N 3.22Å; I148-M151 HydrophobicContact CG1-CE 4.38Å; I148-M151 PolarHBondContact O-N 2.82Å; M151-R153 PolarHBondContact O-N 2.84Å; M151-G154 PolarHBondContact O-N 3.36Å; M151-Y155 HydrophobicContact CB-CD2 4.4Å; M151-Y155 HydrophobicContact CB-CE2 4.46Å; M151-Y155 WeakPolarHBondContact O-CD2 3.47Å; M151-Y155 PolarHBondContact O-N 2.93Å
152N98.5Very high97.5Very high0 Ų048.9 Ų48.90%025%0.248CC..Hα-helixtrans-55.4-50.7176.6-77.4-4.7000111.2I148 D149 G154 Y155 S156 Y163 T164I148-N152 WeakPolarHBondContact O-CB 3.33Å; I148-N152 PolarHBondContact O-N 3.15Å; I148-N152 PolarHBondContact O-OD1 3.48Å; D149-N152 PolarHBondContact O-N 3.03Å; N152-G154 PolarHBondContact O-N 3.15Å; N152-Y155 PolarHBondContact O-N 2.79Å; N152-S156 WeakPolarHBondContact O-CB 3.43Å; N152-S156 PolarHBondContact O-N 3.14Å; N152-S156 PolarHBondContact O-OG 3.27Å; N152-Y163 WeakPolarHBondContact CB-O 3.3Å; N152-T164 WeakPolarHBondContact ND2-CA 3.43Å; N152-T164 PolarHBondContact ND2-O 3.14Å
153R97.2Very high97.6Very high105 Ų10548.9 Ų48.940%0.39625%0.248SC..Hα-helixtrans-58-49.3175.5-67174.1-163-156.33.9111.4D149 V150 M151 Y155 S156 E157D149-R153 VanDerWaalsContact O-CG 3.31Å; D149-R153 WeakPolarHBondContact O-CG 3.19Å; D149-R153 PolarHBondContact O-N 3.31Å; D149-R153 IonicContact OD1-CZ 3.96Å; D149-R153 IonicContact OD1-NE 3.31Å; D149-R153 PolarHBondContact OD1-NE 3.32Å; D149-R153 IonicContact OD1-NH2 3.68Å; D149-R153 IonicContact OD2-CZ 3.24Å; D149-R153 VanDerWaalsContact OD2-CZ 3.24Å; D149-R153 IonicContact OD2-NE 3.16Å; D149-R153 PolarHBondContact OD2-NE 3.19Å; D149-R153 VanDerWaalsContact OD2-NE 3.16Å; D149-R153 IonicContact OD2-NH2 2.74Å; D149-R153 PolarHBondContact OD2-NH2 2.82Å; V150-R153 PolarHBondContact O-N 2.92Å; M151-R153 PolarHBondContact O-N 2.84Å; R153-Y155 PolarHBondContact O-N 3.15Å; R153-S156 PolarHBondContact O-N 3.05Å; R153-E157 WeakPolarHBondContact O-CB 3.38Å; R153-E157 VanDerWaalsContact O-CG 3.26Å; R153-E157 WeakPolarHBondContact O-CG 3.44Å; R153-E157 PolarHBondContact O-N 2.88Å
154G97.7Very high97.6Very high29 Ų2944.9 Ų44.930%0.29923%0.233SC..Hα-helixtrans-59.1-43.4179.300000113.4V150 M151 N152 T158V150-G154 PolarHBondContact O-N 3.14Å; M151-G154 PolarHBondContact O-N 3.36Å; N152-G154 PolarHBondContact O-N 3.15Å; G154-T158 WeakPolarHBondContact O-CB 3.2Å; G154-T158 PolarHBondContact O-N 3.02Å; G154-T158 PolarHBondContact O-OG1 2.89Å
155Y98.3Very high97.6Very high34 Ų3444.9 Ų44.913%0.13323%0.233CC..Hα-helixtrans-64.8-47.2175.5-84-67.7000111.9L96 S97 H100 M151 N152 R153 T158 F159 Y163L96-Y155 HydrophobicContact CB-CD2 4.37Å; L96-Y155 HydrophobicContact CB-CE2 3.74Å; S97-Y155 VanDerWaalsContact CA-OH 3.26Å; S97-Y155 WeakPolarHBondContact CA-OH 3.28Å; H100-Y155 HydrophobicContact CB-CD1 4.12Å; H100-Y155 HydrophobicContact CB-CE1 3.69Å; H100-Y155 AromaticContact CG-CE1 3.81Å; M151-Y155 HydrophobicContact CB-CD2 4.4Å; M151-Y155 HydrophobicContact CB-CE2 4.46Å; M151-Y155 WeakPolarHBondContact O-CD2 3.47Å; M151-Y155 PolarHBondContact O-N 2.93Å; N152-Y155 PolarHBondContact O-N 2.79Å; R153-Y155 PolarHBondContact O-N 3.15Å; Y155-T158 PolarHBondContact O-N 2.83Å; Y155-F159 AromaticContact CD1-CD2 3.74Å; Y155-F159 HydrophobicContact CD1-CD2 3.74Å; Y155-F159 AromaticContact CD1-CE2 3.95Å; Y155-F159 HydrophobicContact CD1-CE2 3.95Å; Y155-F159 HydrophobicContact CE1-CD2 4.38Å; Y155-F159 HydrophobicContact CE1-CE2 4.19Å; Y155-F159 PolarHBondContact O-N 2.93Å; Y155-Y163 HydrophobicContact CD1-CD2 4.45Å; Y155-Y163 HydrophobicContact CD1-CE2 4.09Å; Y155-Y163 AromaticContact CD2-CD2 3.72Å; Y155-Y163 HydrophobicContact CD2-CD2 3.72Å; Y155-Y163 AromaticContact CD2-CE2 3.93Å; Y155-Y163 HydrophobicContact CD2-CE2 3.93Å; Y155-Y163 HydrophobicContact CE2-CE2 4.48Å; Y155-Y163 AromaticContact CG-CD2 3.67Å; Y155-Y163 HydrophobicContact CG-CD2 3.67Å; Y155-Y163 AromaticContact CG-CE2 3.75Å; Y155-Y163 HydrophobicContact CG-CE2 3.75Å
156S95.7Very high97.6Very high22 Ų2244.8 Ų44.815%0.15423%0.232CC..Hα-helixtrans-63.3-43.1179.8-72.10000112.8N152 R153 D160 V161 Y163N152-S156 WeakPolarHBondContact O-CB 3.43Å; N152-S156 PolarHBondContact O-N 3.14Å; N152-S156 PolarHBondContact O-OG 3.27Å; R153-S156 PolarHBondContact O-N 3.05Å; S156-D160 PolarHBondContact O-N 2.93Å; S156-V161 VanDerWaalsContact CA-O 3.26Å; S156-V161 WeakPolarHBondContact CA-O 3.45Å; S156-V161 VanDerWaalsContact CB-O 3.32Å; S156-V161 WeakPolarHBondContact CB-O 3.46Å; S156-V161 PolarHBondContact OG-O 3.34Å; S156-Y163 PolarHBondContact OG-N 2.92Å
157E95.9Very high97.6Very high158 Ų15844.3 Ų44.374%0.73823%0.231SC*.Hα-helixtrans-68-35.4178.2-71.4170.1-166.500112.7R153R153-E157 WeakPolarHBondContact O-CB 3.38Å; R153-E157 VanDerWaalsContact O-CG 3.26Å; R153-E157 WeakPolarHBondContact O-CG 3.44Å; R153-E157 PolarHBondContact O-N 2.88Å
158T96.8Very high97.6Very high97 Ų9741.9 Ų41.960%0.59522%0.219SC*.Hα-helixtrans-88.5-36.8-173.8-53.10000113.4G154 Y155G154-T158 WeakPolarHBondContact O-CB 3.2Å; G154-T158 PolarHBondContact O-N 3.02Å; G154-T158 PolarHBondContact O-OG1 2.89Å; Y155-T158 PolarHBondContact O-N 2.83Å
159F95.9Very high97.5Very high103 Ų10342.4 Ų42.445%0.45222%0.222SC..Hα-helixtrans-123.95.5-166.4-56.5-72.7000114.8H100 Y155 V161H100-F159 AromaticContact CD2-CD2 3.95Å; H100-F159 AromaticContact CD2-CG 3.91Å; H100-F159 AromaticContact CE1-CD1 3.85Å; H100-F159 AromaticContact CE1-CE1 3.8Å; H100-F159 AromaticContact CE1-CZ 3.9Å; H100-F159 AromaticContact NE2-CD1 3.36Å; H100-F159 WeakPolarHBondContact NE2-CD1 3.26Å; H100-F159 AromaticContact NE2-CD2 3.57Å; H100-F159 AromaticContact NE2-CE1 3.8Å; H100-F159 AromaticContact NE2-CE2 3.98Å; H100-F159 AromaticContact NE2-CG 3.24Å; H100-F159 WeakPolarHBondContact NE2-CG 3.5Å; Y155-F159 AromaticContact CD1-CD2 3.74Å; Y155-F159 HydrophobicContact CD1-CD2 3.74Å; Y155-F159 AromaticContact CD1-CE2 3.95Å; Y155-F159 HydrophobicContact CD1-CE2 3.95Å; Y155-F159 HydrophobicContact CE1-CD2 4.38Å; Y155-F159 HydrophobicContact CE1-CE2 4.19Å; Y155-F159 PolarHBondContact O-N 2.93Å; F159-V161 HydrophobicContact CB-CG1 4.28Å; F159-V161 HydrophobicContact CB-CG2 4.39Å; F159-V161 PolarHBondContact O-N 2.84Å
160D92.7Very high97.4Very high158 Ų15844.5 Ų44.585%0.84523%0.233SC*.  trans53.539.7-178.2-166.235.7000112.9S156S156-D160 PolarHBondContact O-N 2.93Å
161V96.6Very high97.3Very high28 Ų2842.2 Ų42.217%0.1722%0.219CC..  trans-104.4151.1173.7-64.10000110.3S156 F159 Y163S156-V161 VanDerWaalsContact CA-O 3.26Å; S156-V161 WeakPolarHBondContact CA-O 3.45Å; S156-V161 VanDerWaalsContact CB-O 3.32Å; S156-V161 WeakPolarHBondContact CB-O 3.46Å; S156-V161 PolarHBondContact OG-O 3.34Å; F159-V161 HydrophobicContact CB-CG1 4.28Å; F159-V161 HydrophobicContact CB-CG2 4.39Å; F159-V161 PolarHBondContact O-N 2.84Å; V161-Y163 HydrophobicContact CB-CD1 4.04Å; V161-Y163 HydrophobicContact CB-CE1 3.79Å; V161-Y163 HydrophobicContact CG2-CD1 3.8Å; V161-Y163 HydrophobicContact CG2-CD2 4.28Å; V161-Y163 HydrophobicContact CG2-CE1 3.72Å; V161-Y163 HydrophobicContact CG2-CE2 4.24Å; V161-Y163 HydrophobicContact CG2-CG 4.06Å; V161-Y163 PolarHBondContact O-N 3.48Å
162L98.2Very high97.3Very high35 Ų3540.8 Ų40.818%0.18321%0.213CC..EExtended strand (participates in β ladder)trans-97.282.3-178.8-178.650.6000111.4K105 K106 V107 N233K105-L162 PolarHBondContact O-N 3.39Å; K106-L162 WeakPolarHBondContact CA-O 3.27Å; K106-L162 HydrophobicContact CB-CB 4.44Å; K106-L162 HydrophobicContact CD-CD2 4.29Å; K106-L162 HydrophobicContact CG-CB 4.43Å; K106-L162 HydrophobicContact CG-CD2 4.42Å; K106-L162 HydrophobicContact CG-CG 4.16Å; K106-L162 WeakPolarHBondContact CG-O 3.16Å; V107-L162 PolarHBondContact N-O 3.26Å; V107-L162 VanDerWaalsContact N-O 3.13Å; L162-N233 HydrophobicContact CD2-CB 4.12Å
163Y98.5Very high97.3Very high0 Ų040.9 Ų40.90%021%0.213CC..EExtended strand (participates in β ladder)trans-100.9121.9176.3-70.511.1000107.7L96 S99 H100 V107 N152 Y155 S156 V161L96-Y163 HydrophobicContact CD2-CD2 4.08Å; L96-Y163 HydrophobicContact CD2-CE2 4.4Å; S99-Y163 VanDerWaalsContact C-OH 3.26Å; S99-Y163 WeakPolarHBondContact CB-OH 3.45Å; H100-Y163 WeakPolarHBondContact CA-OH 3.37Å; H100-Y163 PolarHBondContact N-OH 2.96Å; V107-Y163 HydrophobicContact CB-CD1 3.73Å; V107-Y163 HydrophobicContact CB-CD2 4.42Å; V107-Y163 HydrophobicContact CB-CE1 4.08Å; V107-Y163 HydrophobicContact CB-CG 3.96Å; V107-Y163 HydrophobicContact CG2-CD1 3.57Å; V107-Y163 HydrophobicContact CG2-CD2 4.23Å; V107-Y163 HydrophobicContact CG2-CE1 3.36Å; V107-Y163 HydrophobicContact CG2-CE2 4.01Å; V107-Y163 HydrophobicContact CG2-CG 4.04Å; N152-Y163 WeakPolarHBondContact CB-O 3.3Å; Y155-Y163 HydrophobicContact CD1-CD2 4.45Å; Y155-Y163 HydrophobicContact CD1-CE2 4.09Å; Y155-Y163 AromaticContact CD2-CD2 3.72Å; Y155-Y163 HydrophobicContact CD2-CD2 3.72Å; Y155-Y163 AromaticContact CD2-CE2 3.93Å; Y155-Y163 HydrophobicContact CD2-CE2 3.93Å; Y155-Y163 HydrophobicContact CE2-CE2 4.48Å; Y155-Y163 AromaticContact CG-CD2 3.67Å; Y155-Y163 HydrophobicContact CG-CD2 3.67Å; Y155-Y163 AromaticContact CG-CE2 3.75Å; Y155-Y163 HydrophobicContact CG-CE2 3.75Å; S156-Y163 PolarHBondContact OG-N 2.92Å; V161-Y163 HydrophobicContact CB-CD1 4.04Å; V161-Y163 HydrophobicContact CB-CE1 3.79Å; V161-Y163 HydrophobicContact CG2-CD1 3.8Å; V161-Y163 HydrophobicContact CG2-CD2 4.28Å; V161-Y163 HydrophobicContact CG2-CE1 3.72Å; V161-Y163 HydrophobicContact CG2-CE2 4.24Å; V161-Y163 HydrophobicContact CG2-CG 4.06Å; V161-Y163 PolarHBondContact O-N 3.48Å
164T98.7Very high97.2Very high0 Ų036.1 Ų36.10%020%0.196CC..EExtended strand (participates in β ladder)trans-140-179.4-175.1-170.40000109.9V107 I108 S109 N152 Y232 D234 S235 S236V107-T164 PolarHBondContact O-N 3.2Å; I108-T164 HydrophobicContact CG1-CG2 3.87Å; S109-T164 PolarHBondContact N-O 2.88Å; N152-T164 WeakPolarHBondContact ND2-CA 3.43Å; N152-T164 PolarHBondContact ND2-O 3.14Å; T164-Y232 HydrophobicContact CG2-CD1 4.34Å; T164-D234 WeakPolarHBondContact CB-O 3.49Å; T164-D234 PolarHBondContact OG1-O 2.96Å; T164-D234 VanDerWaalsContact OG1-O 3.05Å; T164-S235 PolarHBondContact OG1-O 2.95Å; T164-S236 PolarHBondContact OG1-O 3.38Å
165S98.8Very high97.1Very high0 Ų037.9 Ų37.90%020%0.195CC..EExtended strand (participates in β ladder)trans-148.9154.5178.865.70000113.5S109 L111 P237 I238S109-S165 CarbonylContact O-C 3.56Å; S109-S165 WeakPolarHBondContact O-CA 3.32Å; S109-S165 VanDerWaalsContact O-CB 3.27Å; S109-S165 WeakPolarHBondContact O-CB 3.16Å; L111-S165 VanDerWaalsContact CD1-OG 3.27Å; L111-S165 WeakPolarHBondContact CD1-OG 3.3Å; S165-P237 VanDerWaalsContact O-CA 3.25Å; S165-P237 WeakPolarHBondContact O-CA 3.46Å; S165-I238 PolarHBondContact O-N 3.29Å
166I98.8Very high97Very high1 Ų136.6 Ų36.61%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-102.5149.9171.257149.6000109.9I108 S109 C110 L111 P168 L221 I225 T228 I238 L240I108-I166 HydrophobicContact CG2-CG1 4.26Å; I108-I166 HydrophobicContact CG2-CG2 3.8Å; S109-I166 PolarHBondContact O-N 2.88Å; C110-I166 HydrophobicContact CB-CD1 4.46Å; C110-I166 HydrophobicContact CB-CG1 4.34Å; L111-I166 WeakPolarHBondContact CB-O 3.03Å; L111-I166 PolarHBondContact N-O 3.4Å; I166-P168 HydrophobicContact CD1-CG 4.45Å; I166-P168 WeakPolarHBondContact O-CD 3.45Å; I166-L221 HydrophobicContact CD1-CD1 4.07Å; I166-I225 HydrophobicContact CD1-CD1 3.67Å; I166-I225 HydrophobicContact CD1-CG1 3.54Å; I166-T228 HydrophobicContact CG2-CG2 3.93Å; I166-I238 CarbonylContact C-O 3.52Å; I166-I238 WeakPolarHBondContact CA-O 3.31Å; I166-I238 HydrophobicContact CG2-CG2 4.01Å; I166-L240 HydrophobicContact CB-CD1 3.7Å; I166-L240 HydrophobicContact CB-CG 4Å; I166-L240 HydrophobicContact CD1-CD1 3.93Å; I166-L240 HydrophobicContact CG1-CD1 4.43Å; I166-L240 HydrophobicContact CG2-CD1 3.45Å; I166-L240 VanDerWaalsContact CG2-CD1 3.45Å; I166-L240 HydrophobicContact CG2-CG 3.96Å
167I98.7Very high96.9Very high0 Ų037.4 Ų37.40%019%0.193CC..EExtended strand (participates in β ladder)trans-120.387173.8-45-177.2000108.4L111 T113 I115 F116 E126 V129 P237 I238 I239 L240L111-I167 HydrophobicContact CB-CG1 4.13Å; L111-I167 HydrophobicContact CD1-CD1 4.24Å; L111-I167 HydrophobicContact CD1-CG1 4.02Å; L111-I167 HydrophobicContact CG-CG1 4.43Å; T113-I167 HydrophobicContact CG2-CG2 4.23Å; I115-I167 HydrophobicContact CD1-CD1 4.43Å; F116-I167 HydrophobicContact CE2-CD1 4.38Å; F116-I167 HydrophobicContact CE2-CG2 3.87Å; F116-I167 HydrophobicContact CZ-CD1 3.84Å; F116-I167 HydrophobicContact CZ-CG2 4.35Å; E126-I167 HydrophobicContact CG-CD1 4.44Å; V129-I167 HydrophobicContact CG2-CD1 3.93Å; I167-P237 HydrophobicContact CD1-CB 3.76Å; I167-P237 HydrophobicContact CG1-CB 3.99Å; I167-I238 PolarHBondContact N-O 3.43Å; I167-I239 HydrophobicContact CB-CG1 3.93Å; I167-I239 HydrophobicContact CD1-CG1 4.28Å; I167-I239 HydrophobicContact CG2-CG1 4.39Å; I167-I239 WeakPolarHBondContact O-CA 3.43Å; I167-L240 PolarHBondContact O-N 3.08Å
168P98.3Very high96.8Very high7 Ų729.9 Ų29.95%0.04516%0.158CC..EExtended strand (participates in β ladder)trans-72.8151.3173.530.6-33.3000111.3I166 V171 L221 L240I166-P168 HydrophobicContact CD1-CG 4.45Å; I166-P168 WeakPolarHBondContact O-CD 3.45Å; P168-V171 HydrophobicContact CB-CG2 3.84Å; P168-V171 HydrophobicContact CG-CG2 4.31Å; P168-L221 HydrophobicContact CB-CD1 4.01Å; P168-L221 HydrophobicContact CB-CD2 3.82Å; P168-L221 HydrophobicContact CG-CD2 4.39Å; P168-L240 WeakPolarHBondContact CA-O 3.27Å
169T96.8Very high96.6Very high10 Ų1026.8 Ų26.86%0.06114%0.138CC..  trans-81.5-147.7166.955.10000110.9T113 V171 Q214 S241 A281T113-T169 HydrophobicContact CG2-CG2 3.75Å; T169-V171 PolarHBondContact O-N 3.09Å; T169-Q214 WeakPolarHBondContact CB-O 3.43Å; T169-Q214 HydrophobicContact CG2-CB 4.05Å; T169-Q214 PolarHBondContact OG1-O 2.79Å; T169-S241 WeakPolarHBondContact CG2-OG 3.46Å; T169-S241 PolarHBondContact OG1-OG 3.13Å; T169-A281 HydrophobicContact CG2-CB 3.95Å
170N95.7Very high96.3Very high44 Ų4424 Ų2424%0.23513%0.128CC..EExtended strand (participates in β ladder)trans-72.599.4-178-70.284.6000110.5Q214 F215 I216N170-Q214 PolarHBondContact N-O 3.05Å; N170-Q214 VanDerWaalsContact N-O 3.14Å; N170-F215 HydrophobicContact CB-CD1 3.42Å; N170-F215 VanDerWaalsContact CB-CD1 3.42Å; N170-F215 HydrophobicContact CB-CE1 3.66Å; N170-F215 HydrophobicContact CB-CG 4.34Å; N170-F215 VanDerWaalsContact O-CA 3.29Å; N170-F215 WeakPolarHBondContact O-CA 3.48Å; N170-I216 PolarHBondContact O-N 3.01Å
171V97.6Very high95.9Very high22 Ų2221 Ų2113%0.13311%0.112CC..EExtended strand (participates in β ladder)trans-77.2139.4178.7-162.80000110.5L13 V14 P168 T169 I216 L221L13-V171 HydrophobicContact CD2-CB 3.88Å; L13-V171 HydrophobicContact CD2-CG1 3.68Å; L13-V171 HydrophobicContact CG-CG1 4.16Å; V14-V171 HydrophobicContact CG2-CG1 4.3Å; P168-V171 HydrophobicContact CB-CG2 3.84Å; P168-V171 HydrophobicContact CG-CG2 4.31Å; T169-V171 PolarHBondContact O-N 3.09Å; V171-I216 WeakPolarHBondContact CA-O 3.45Å; V171-I216 HydrophobicContact CB-CG2 4.35Å; V171-I216 HydrophobicContact CG2-CG2 3.94Å; V171-L221 HydrophobicContact CB-CD2 4.36Å; V171-L221 HydrophobicContact CG1-CD2 3.79Å; V171-L221 HydrophobicContact CG2-CD2 3.55Å
172F97.8Very high95Very high4 Ų423.6 Ų23.62%0.01812%0.122CC..EExtended strand (participates in β ladder)trans-144.2158.9170.874.4-78.3000110.9L186 F215 I216 Y217 S218 F298 A301 I302F172-L186 HydrophobicContact CB-CB 4.13Å; F172-L186 HydrophobicContact CB-CD1 3.75Å; F172-L186 HydrophobicContact CD1-CD1 3.59Å; F172-L186 HydrophobicContact CD2-CD1 4.01Å; F172-L186 HydrophobicContact CE1-CD1 4.15Å; F172-L186 HydrophobicContact CG-CD1 3.5Å; F172-L186 VanDerWaalsContact CG-CD1 3.5Å; F172-F215 HydrophobicContact CD1-CB 3.93Å; F172-F215 HydrophobicContact CE1-CB 3.78Å; F172-I216 WeakPolarHBondContact CD1-O 3.49Å; F172-I216 PolarHBondContact N-O 3.02Å; F172-I216 VanDerWaalsContact N-O 3.15Å; F172-Y217 HydrophobicContact CE2-CD2 4.19Å; F172-Y217 HydrophobicContact CZ-CD2 4.41Å; F172-Y217 CarbonylContact O-C 3.53Å; F172-S218 WeakPolarHBondContact O-CB 3.5Å; F172-S218 PolarHBondContact O-N 2.91Å; F172-F298 HydrophobicContact CE1-CD2 4.14Å; F172-F298 AromaticContact CE1-CE2 3.99Å; F172-F298 HydrophobicContact CE1-CE2 3.99Å; F172-F298 AromaticContact CZ-CD2 3.98Å; F172-F298 HydrophobicContact CZ-CD2 3.98Å; F172-F298 AromaticContact CZ-CE2 3.92Å; F172-F298 HydrophobicContact CZ-CE2 3.92Å; F172-A301 HydrophobicContact CE2-CB 3.85Å; F172-A301 HydrophobicContact CZ-CB 3.55Å; F172-I302 HydrophobicContact CD2-CD1 3.92Å; F172-I302 HydrophobicContact CE2-CD1 3.54Å; F172-I302 HydrophobicContact CE2-CG1 4.01Å; F172-I302 HydrophobicContact CZ-CD1 4.15Å; F172-I302 HydrophobicContact CZ-CG1 4.36Å
173G97.9Very high93.9Very high1 Ų122.8 Ų22.81%0.0112%0.122CC..  trans157.4-171.4175.200000113.8D176 T305G173-D176 WeakPolarHBondContact O-CB 3.26Å; G173-T305 WeakPolarHBondContact CA-OG1 3.37Å
174P96.4Very high93.3Very high6 Ų627.4 Ų27.44%0.03914%0.143CC..THydrogen-bonded Turntrans-49.7148.4168.3-31.238000113.1L13 L20 D176 W308L13-P174 VanDerWaalsContact CD1-O 3.23Å; L13-P174 WeakPolarHBondContact CD1-O 3.36Å; L20-P174 HydrophobicContact CD1-CB 4.13Å; L20-P174 HydrophobicContact CD1-CG 4.21Å; P174-D176 PolarHBondContact O-N 3.36Å; P174-W308 HydrophobicContact CB-CB 4.26Å; P174-W308 HydrophobicContact CB-CD2 3.65Å; P174-W308 HydrophobicContact CB-CE3 4.25Å; P174-W308 HydrophobicContact CB-CG 3.6Å; P174-W308 HydrophobicContact CG-CB 3.99Å; P174-W308 HydrophobicContact CG-CD2 4.36Å; P174-W308 HydrophobicContact CG-CG 3.87Å
175F96Very high92.9Very high65 Ų6530.7 Ų30.729%0.28516%0.163SC..THydrogen-bonded Turntrans65.115.3178.9-48.3-86.6000116.3N16 L20 W308 R317N16-F175 HydrophobicContact CB-CB 3.99Å; N16-F175 HydrophobicContact CB-CD2 3.35Å; N16-F175 HydrophobicContact CB-CE2 3.93Å; N16-F175 HydrophobicContact CB-CG 3.75Å; L20-F175 HydrophobicContact CD1-CE2 4.26Å; F175-W308 HydrophobicContact CB-CZ2 4.42Å; F175-W308 HydrophobicContact CD1-CH2 4.16Å; F175-W308 AromaticContact CD1-CZ2 3.46Å; F175-W308 HydrophobicContact CD1-CZ2 3.46Å; F175-W308 VanDerWaalsContact CD1-CZ2 3.46Å; F175-W308 HydrophobicContact CD2-CZ2 4.2Å; F175-W308 AromaticContact CE1-CZ2 3.64Å; F175-W308 HydrophobicContact CE1-CZ2 3.64Å; F175-W308 HydrophobicContact CE2-CZ2 4.35Å; F175-W308 AromaticContact CE2-NE1 3.82Å; F175-W308 HydrophobicContact CG-CH2 4.33Å; F175-W308 AromaticContact CG-CZ2 3.76Å; F175-W308 HydrophobicContact CG-CZ2 3.76Å; F175-W308 HydrophobicContact CZ-CZ2 4.1Å; F175-W308 AromaticContact CZ-NE1 3.72Å; F175-W308 VanDerWaalsContact N-CH2 3.27Å; F175-R317 PolarHBondContact O-NH1 3.42Å
176D95.3Very high92.7Very high8 Ų830.8 Ų30.84%0.04316%0.164CC..  trans-64.8171.7171.1-146.8-21.6000112.4L13 G173 P174 F178 P187L13-D176 HydrophobicContact CD1-CB 4.01Å; L13-D176 HydrophobicContact CD2-CB 4.41Å; L13-D176 WeakPolarHBondContact CD2-OD2 3.46Å; G173-D176 WeakPolarHBondContact O-CB 3.26Å; P174-D176 PolarHBondContact O-N 3.36Å; D176-F178 HydrophobicContact CB-CD2 4.27Å; D176-F178 HydrophobicContact CB-CE2 3.71Å; D176-F178 HydrophobicContact CB-CZ 3.89Å; D176-F178 VanDerWaalsContact O-CD2 3.24Å; D176-F178 WeakPolarHBondContact O-CD2 3.49Å; D176-F178 WeakPolarHBondContact O-CE2 3.42Å; D176-P187 HydrophobicContact CB-CB 4.04Å; D176-P187 HydrophobicContact CB-CG 4.44Å; D176-P187 WeakPolarHBondContact OD2-CG 3.48Å
177N93.2Very high92.5Very high38 Ų3830.8 Ų30.820%0.20316%0.164CC..BIsolated β-bridgetrans-86.9110.6163.3-175.84.9000109.7D179 P187 R317 C318N177-D179 WeakPolarHBondContact OD1-CB 3.08Å; N177-D179 PolarHBondContact OD1-N 2.68Å; N177-P187 WeakPolarHBondContact O-CB 3.49Å; N177-P187 WeakPolarHBondContact O-CG 3.35Å; N177-R317 PolarHBondContact OD1-O 2.71Å; N177-C318 WeakPolarHBondContact OD1-CA 3.48Å; N177-C318 PolarHBondContact OD1-OXT 3.12Å
178F94.7Very high92.3Very high0 Ų031.1 Ų31.10%017%0.167CC..  trans-93.911.9-178.8-64.3-92.3000113.3D176 I180 P187 I190 H191 T305 W308 F309 I316 R317D176-F178 HydrophobicContact CB-CD2 4.27Å; D176-F178 HydrophobicContact CB-CE2 3.71Å; D176-F178 HydrophobicContact CB-CZ 3.89Å; D176-F178 VanDerWaalsContact O-CD2 3.24Å; D176-F178 WeakPolarHBondContact O-CD2 3.49Å; D176-F178 WeakPolarHBondContact O-CE2 3.42Å; F178-I180 PolarHBondContact O-N 3.22Å; F178-P187 HydrophobicContact CD1-CB 3.55Å; F178-P187 WeakPolarHBondContact CD1-O 3.29Å; F178-P187 HydrophobicContact CE1-CB 3.79Å; F178-P187 HydrophobicContact CG-CB 4.03Å; F178-P187 HydrophobicContact CZ-CB 4.46Å; F178-I190 HydrophobicContact CD1-CB 4.42Å; F178-I190 HydrophobicContact CD1-CG2 4.37Å; F178-I190 HydrophobicContact CE1-CB 4.34Å; F178-I190 HydrophobicContact CE1-CD1 4.27Å; F178-I190 HydrophobicContact CE1-CG2 4.16Å; F178-H191 HydrophobicContact CB-CB 4.36Å; F178-H191 WeakPolarHBondContact O-CB 3.42Å; F178-H191 PolarHBondContact O-ND1 3.01Å; F178-T305 HydrophobicContact CE1-CG2 4.41Å; F178-T305 HydrophobicContact CZ-CG2 4.25Å; F178-W308 HydrophobicContact CD2-CZ3 4.44Å; F178-W308 HydrophobicContact CE2-CE3 4.25Å; F178-W308 HydrophobicContact CE2-CH2 4.47Å; F178-W308 AromaticContact CE2-CZ3 3.56Å; F178-W308 HydrophobicContact CE2-CZ3 3.56Å; F178-W308 HydrophobicContact CZ-CE3 4.27Å; F178-W308 HydrophobicContact CZ-CZ3 4.03Å; F178-F309 HydrophobicContact CB-CD2 4.31Å; F178-F309 HydrophobicContact CB-CE2 3.79Å; F178-F309 AromaticContact CD1-CD2 3.35Å; F178-F309 HydrophobicContact CD1-CD2 3.35Å; F178-F309 AromaticContact CD1-CE2 3.59Å; F178-F309 HydrophobicContact CD1-CE2 3.59Å; F178-F309 HydrophobicContact CD1-CG 4.43Å; F178-F309 HydrophobicContact CD2-CD2 4.11Å; F178-F309 HydrophobicContact CD2-CE2 4.4Å; F178-F309 HydrophobicContact CE1-CB 4.41Å; F178-F309 AromaticContact CE1-CD2 3.57Å; F178-F309 HydrophobicContact CE1-CD2 3.57Å; F178-F309 HydrophobicContact CE1-CE2 4.28Å; F178-F309 HydrophobicContact CE1-CG 4.34Å; F178-F309 HydrophobicContact CE2-CD2 4.29Å; F178-F309 AromaticContact CG-CD2 3.66Å; F178-F309 HydrophobicContact CG-CD2 3.66Å; F178-F309 AromaticContact CG-CE2 3.67Å; F178-F309 HydrophobicContact CG-CE2 3.67Å; F178-F309 HydrophobicContact CZ-CD2 4.05Å; F178-I316 HydrophobicContact CB-CD1 4.33Å; F178-I316 HydrophobicContact CD2-CB 4.33Å; F178-R317 PolarHBondContact N-O 3.5Å
179D91.7Very high92.2Very high33 Ų3331.1 Ų31.118%0.17617%0.167CC..  trans-57.9131.8172.3-169.2-91.4000111.6N177 N181 Q182 G183 C318N177-D179 WeakPolarHBondContact OD1-CB 3.08Å; N177-D179 PolarHBondContact OD1-N 2.68Å; D179-N181 VanDerWaalsContact C-N 3.29Å; D179-N181 PolarHBondContact O-N 3.42Å; D179-N181 WeakPolarHBondContact OD1-CA 3.14Å; D179-N181 WeakPolarHBondContact OD1-CB 3.22Å; D179-N181 PolarHBondContact OD1-N 3.1Å; D179-Q182 HydrophobicContact CB-CB 4.18Å; D179-Q182 WeakPolarHBondContact OD1-CB 3.27Å; D179-Q182 PolarHBondContact OD1-N 3.15Å; D179-G183 WeakPolarHBondContact O-CA 3.49Å; D179-G183 PolarHBondContact O-N 3.34Å; D179-C318 HydrophobicContact CB-CB 4.16Å; D179-C318 VanDerWaalsContact CB-OXT 3.31Å; D179-C318 WeakPolarHBondContact CB-OXT 3.13Å
180I90.7Very high92.2Very high44 Ų4430.7 Ų30.723%0.22616%0.164CC..THydrogen-bonded Turntrans-69.6-28.8-175-71.7173.5000112.2F178 H191 K192 L195F178-I180 PolarHBondContact O-N 3.22Å; I180-H191 HydrophobicContact CD1-CB 4.46Å; I180-H191 HydrophobicContact CG1-CB 4.07Å; I180-K192 HydrophobicContact CD1-CG 4.15Å; I180-K192 HydrophobicContact CG1-CG 4.17Å; I180-K192 HydrophobicContact CG2-CD 4.45Å; I180-K192 VanDerWaalsContact CG2-CE 3.47Å; I180-K192 HydrophobicContact CG2-CG 4.13Å; I180-L195 HydrophobicContact CD1-CD1 3.6Å
181N84Confident92.3Very high96 Ų9629.5 Ų29.551%0.51316%0.157SC..THydrogen-bonded Turntrans-101.6-31.7-173-58.9-59.4000112.6D179D179-N181 VanDerWaalsContact C-N 3.29Å; D179-N181 PolarHBondContact O-N 3.42Å; D179-N181 WeakPolarHBondContact OD1-CA 3.14Å; D179-N181 WeakPolarHBondContact OD1-CB 3.22Å; D179-N181 PolarHBondContact OD1-N 3.1Å
182Q78Confident92.2Very high81 Ų8130 Ų3038%0.37916%0.158SC..THydrogen-bonded Turntrans-111.8-15-173.7-58.4-63.3-9.900113.2G73 D179G73-Q182 WeakPolarHBondContact CA-O 3.3Å; G73-Q182 PolarHBondContact N-O 2.98Å; G73-Q182 VanDerWaalsContact N-O 3.09Å; D179-Q182 HydrophobicContact CB-CB 4.18Å; D179-Q182 WeakPolarHBondContact OD1-CB 3.27Å; D179-Q182 PolarHBondContact OD1-N 3.15Å
183G75.3Confident92.2Very high19 Ų1929.8 Ų29.820%0.19616%0.157CC..SBendtrans-75.3173.4178.600000113.6D179D179-G183 WeakPolarHBondContact O-CA 3.49Å; D179-G183 PolarHBondContact O-N 3.34Å
184H85.4Confident92.1Very high96 Ų9632.4 Ų32.444%0.44417%0.167SC..  trans-78.2168.3171.7-61.4124.4000111.4L186 P187 G188H184-L186 PolarHBondContact O-N 3.13Å; H184-P187 HydrophobicContact CB-CG 3.89Å; H184-P187 VanDerWaalsContact O-CD 3.3Å; H184-P187 WeakPolarHBondContact O-CD 3.42Å; H184-P187 WeakPolarHBondContact O-CG 3.47Å; H184-G188 PolarHBondContact O-N 3.41Å
185V90.5Very high92Very high69 Ų6934.6 Ų34.642%0.41818%0.178SC..Hα-helixtrans-56.7-52.6-173.1179.40000113G188 L189 I250V185-G188 PolarHBondContact O-N 3.42Å; V185-L189 HydrophobicContact CG1-CD1 3.76Å; V185-L189 HydrophobicContact CG1-CG 4.21Å; V185-L189 WeakPolarHBondContact O-CB 3.47Å; V185-L189 VanDerWaalsContact O-CG 3.24Å; V185-L189 WeakPolarHBondContact O-CG 3.3Å; V185-L189 PolarHBondContact O-N 3.43Å; V185-I250 HydrophobicContact CG1-CD1 4.04Å; V185-I250 HydrophobicContact CG1-CG2 4.19Å
186L94.8Very high92Very high2 Ų231.7 Ų31.71%0.0117%0.166CC..Hα-helixtrans-63.9-52.5-178.3-78.6-179.8000114.2F172 H184 G188 L189 I190 F215 A253 V257 F298 I302F172-L186 HydrophobicContact CB-CB 4.13Å; F172-L186 HydrophobicContact CB-CD1 3.75Å; F172-L186 HydrophobicContact CD1-CD1 3.59Å; F172-L186 HydrophobicContact CD2-CD1 4.01Å; F172-L186 HydrophobicContact CE1-CD1 4.15Å; F172-L186 HydrophobicContact CG-CD1 3.5Å; F172-L186 VanDerWaalsContact CG-CD1 3.5Å; H184-L186 PolarHBondContact O-N 3.13Å; L186-G188 VanDerWaalsContact C-N 3.27Å; L186-G188 PolarHBondContact O-N 3.2Å; L186-L189 PolarHBondContact O-N 3.29Å; L186-L189 VanDerWaalsContact O-N 3.13Å; L186-I190 WeakPolarHBondContact O-CG1 3.01Å; L186-I190 PolarHBondContact O-N 3.04Å; L186-F215 HydrophobicContact CD1-CB 4.19Å; L186-F215 HydrophobicContact CD1-CD1 3.21Å; L186-F215 HydrophobicContact CD1-CD2 4.24Å; L186-F215 HydrophobicContact CD1-CE1 3.48Å; L186-F215 VanDerWaalsContact CD1-CE1 3.48Å; L186-F215 HydrophobicContact CD1-CE2 4.44Å; L186-F215 HydrophobicContact CD1-CG 3.63Å; L186-F215 HydrophobicContact CD1-CZ 4.1Å; L186-F215 HydrophobicContact CD2-CZ 4.46Å; L186-F215 HydrophobicContact CG-CD1 3.87Å; L186-F215 HydrophobicContact CG-CE1 3.55Å; L186-F215 HydrophobicContact CG-CZ 3.95Å; L186-A253 HydrophobicContact CD2-CB 3.99Å; L186-V257 HydrophobicContact CD2-CG2 4.11Å; L186-F298 HydrophobicContact CD1-CE2 4.03Å; L186-F298 HydrophobicContact CD1-CZ 4.29Å; L186-F298 HydrophobicContact CD2-CZ 4.25Å; L186-I302 HydrophobicContact CD1-CD1 4.09Å; L186-I302 HydrophobicContact CD2-CD1 3.96Å
187P94.5Very high92Very high2 Ų236 Ų361%0.01318%0.184CC..Hα-helixtrans-63.3-35.5178.327.6-37.6000111.7D176 N177 F178 H184 I190 H191D176-P187 HydrophobicContact CB-CB 4.04Å; D176-P187 HydrophobicContact CB-CG 4.44Å; D176-P187 WeakPolarHBondContact OD2-CG 3.48Å; N177-P187 WeakPolarHBondContact O-CB 3.49Å; N177-P187 WeakPolarHBondContact O-CG 3.35Å; F178-P187 HydrophobicContact CD1-CB 3.55Å; F178-P187 WeakPolarHBondContact CD1-O 3.29Å; F178-P187 HydrophobicContact CE1-CB 3.79Å; F178-P187 HydrophobicContact CG-CB 4.03Å; F178-P187 HydrophobicContact CZ-CB 4.46Å; H184-P187 HydrophobicContact CB-CG 3.89Å; H184-P187 VanDerWaalsContact O-CD 3.3Å; H184-P187 WeakPolarHBondContact O-CD 3.42Å; H184-P187 WeakPolarHBondContact O-CG 3.47Å; P187-I190 PolarHBondContact O-N 3.41Å; P187-H191 PolarHBondContact O-N 2.65Å
188G93.9Very high92.1Very high6 Ų641 Ų416%0.06220%0.204CC..Hα-helixtrans-62.4-41.3171.600000113.2H184 V185 L186 H191 K192H184-G188 PolarHBondContact O-N 3.41Å; V185-G188 PolarHBondContact O-N 3.42Å; L186-G188 VanDerWaalsContact C-N 3.27Å; L186-G188 PolarHBondContact O-N 3.2Å; G188-H191 PolarHBondContact O-N 3.32Å; G188-K192 WeakPolarHBondContact O-CB 3.46Å; G188-K192 VanDerWaalsContact O-CG 3.28Å; G188-K192 WeakPolarHBondContact O-CG 3.43Å; G188-K192 PolarHBondContact O-N 3.35Å
189L96Very high92.1Very high7 Ų745.6 Ų45.64%0.03723%0.229CC..Hα-helixtrans-65-41.5174.7-76.6172.5000112.1V185 L186 H191 K192 A193 L203 V205 A254 V257V185-L189 HydrophobicContact CG1-CD1 3.76Å; V185-L189 HydrophobicContact CG1-CG 4.21Å; V185-L189 WeakPolarHBondContact O-CB 3.47Å; V185-L189 VanDerWaalsContact O-CG 3.24Å; V185-L189 WeakPolarHBondContact O-CG 3.3Å; V185-L189 PolarHBondContact O-N 3.43Å; L186-L189 PolarHBondContact O-N 3.29Å; L186-L189 VanDerWaalsContact O-N 3.13Å; L189-H191 VanDerWaalsContact C-N 3.35Å; L189-H191 PolarHBondContact O-N 3.24Å; L189-K192 PolarHBondContact O-N 2.95Å; L189-A193 VanDerWaalsContact O-CB 3.26Å; L189-A193 WeakPolarHBondContact O-CB 3.47Å; L189-A193 PolarHBondContact O-N 3.14Å; L189-L203 HydrophobicContact CD2-CD1 4.39Å; L189-V205 HydrophobicContact CD2-CB 4.45Å; L189-V205 HydrophobicContact CD2-CG1 4.28Å; L189-V205 HydrophobicContact CD2-CG2 3.93Å; L189-A254 HydrophobicContact CD1-CB 4.13Å; L189-A254 HydrophobicContact CD2-CB 4.4Å; L189-V257 HydrophobicContact CB-CG1 4.26Å
190I97.5Very high92.2Very high1 Ų147.5 Ų47.51%0.00526%0.257CS..Hα-helixtrans-61-45.9177.3-68.5170.3000110.2F178 L186 P187 A193 Y194 V257 M261 T305 F309F178-I190 HydrophobicContact CD1-CB 4.42Å; F178-I190 HydrophobicContact CD1-CG2 4.37Å; F178-I190 HydrophobicContact CE1-CB 4.34Å; F178-I190 HydrophobicContact CE1-CD1 4.27Å; F178-I190 HydrophobicContact CE1-CG2 4.16Å; L186-I190 WeakPolarHBondContact O-CG1 3.01Å; L186-I190 PolarHBondContact O-N 3.04Å; P187-I190 PolarHBondContact O-N 3.41Å; I190-A193 PolarHBondContact O-N 3.4Å; I190-Y194 PolarHBondContact O-N 3.03Å; I190-V257 HydrophobicContact CG1-CG1 3.94Å; I190-V257 HydrophobicContact CG1-CG2 4.12Å; I190-M261 HydrophobicContact CG2-SD 4.49Å; I190-T305 HydrophobicContact CD1-CG2 3.66Å; I190-F309 HydrophobicContact CG2-CB 4.02Å; I190-F309 HydrophobicContact CG2-CD1 3.98Å; I190-F309 HydrophobicContact CG2-CD2 4.06Å; I190-F309 HydrophobicContact CG2-CG 3.74Å
191H96.6Very high92.5Very high19 Ų1950.7 Ų50.79%0.08827%0.27CS..Hα-helixtrans-66.4-44.6177.9-165.9175.9000111.8F178 I180 P187 G188 L189 A193 Y194 L195 F309 Y313F178-H191 HydrophobicContact CB-CB 4.36Å; F178-H191 WeakPolarHBondContact O-CB 3.42Å; F178-H191 PolarHBondContact O-ND1 3.01Å; I180-H191 HydrophobicContact CD1-CB 4.46Å; I180-H191 HydrophobicContact CG1-CB 4.07Å; P187-H191 PolarHBondContact O-N 2.65Å; G188-H191 PolarHBondContact O-N 3.32Å; L189-H191 VanDerWaalsContact C-N 3.35Å; L189-H191 PolarHBondContact O-N 3.24Å; H191-A193 VanDerWaalsContact C-N 3.3Å; H191-A193 PolarHBondContact O-N 2.83Å; H191-Y194 WeakPolarHBondContact O-CB 3.29Å; H191-Y194 PolarHBondContact O-N 2.8Å; H191-L195 PolarHBondContact O-N 3.21Å; H191-L195 VanDerWaalsContact O-N 3.07Å; H191-F309 HydrophobicContact CB-CE2 4.22Å; H191-F309 HydrophobicContact CB-CZ 4.08Å; H191-F309 AromaticContact CD2-CZ 3.8Å; H191-F309 AromaticContact CG-CZ 3.98Å; H191-Y313 AromaticContact NE2-CE2 4Å
192K96.3Very high93Very high33 Ų3348.1 Ų48.114%0.14326%0.259CS..Hα-helixtrans-58.2-42.2174-74.3179.8-177.2-174.80112I180 G188 L189 Y194 L195 A196 L203 W206I180-K192 HydrophobicContact CD1-CG 4.15Å; I180-K192 HydrophobicContact CG1-CG 4.17Å; I180-K192 HydrophobicContact CG2-CD 4.45Å; I180-K192 VanDerWaalsContact CG2-CE 3.47Å; I180-K192 HydrophobicContact CG2-CG 4.13Å; G188-K192 WeakPolarHBondContact O-CB 3.46Å; G188-K192 VanDerWaalsContact O-CG 3.28Å; G188-K192 WeakPolarHBondContact O-CG 3.43Å; G188-K192 PolarHBondContact O-N 3.35Å; L189-K192 PolarHBondContact O-N 2.95Å; K192-Y194 VanDerWaalsContact C-N 3.34Å; K192-Y194 PolarHBondContact O-N 3.13Å; K192-L195 PolarHBondContact O-N 3.37Å; K192-A196 WeakPolarHBondContact O-CB 3.43Å; K192-A196 PolarHBondContact O-N 3.41Å; K192-L203 HydrophobicContact CB-CD1 3.57Å; K192-W206 VanDerWaalsContact NZ-CE2 3.26Å
193A97.1Very high94Very high0 Ų044.3 Ų44.30%024%0.241CC..Hα-helixtrans-66-37.3179.100000112L189 I190 H191 K197 L203 V257 M261L189-A193 VanDerWaalsContact O-CB 3.26Å; L189-A193 WeakPolarHBondContact O-CB 3.47Å; L189-A193 PolarHBondContact O-N 3.14Å; I190-A193 PolarHBondContact O-N 3.4Å; H191-A193 VanDerWaalsContact C-N 3.3Å; H191-A193 PolarHBondContact O-N 2.83Å; A193-K197 WeakPolarHBondContact O-CB 3.27Å; A193-K197 PolarHBondContact O-N 2.89Å; A193-L203 HydrophobicContact CB-CD1 4.11Å; A193-L203 HydrophobicContact CB-CD2 4.07Å; A193-V257 HydrophobicContact CB-CG1 3.91Å; A193-M261 HydrophobicContact CB-CB 3.82Å; A193-M261 HydrophobicContact CB-CG 3.92Å
194Y95.9Very high95Very high56 Ų5646 Ų4622%0.2225%0.248CC..Hα-helixtrans-60-49.3172.9-178.6-98.4000112I190 H191 K192 K198 M261 F309 R310 Y313I190-Y194 PolarHBondContact O-N 3.03Å; H191-Y194 WeakPolarHBondContact O-CB 3.29Å; H191-Y194 PolarHBondContact O-N 2.8Å; K192-Y194 VanDerWaalsContact C-N 3.34Å; K192-Y194 PolarHBondContact O-N 3.13Å; Y194-K198 WeakPolarHBondContact O-CB 3.34Å; Y194-K198 PolarHBondContact O-N 3.29Å; Y194-M261 VanDerWaalsContact CB-CE 3.46Å; Y194-M261 HydrophobicContact CD2-CE 3.85Å; Y194-M261 HydrophobicContact CG-CE 4.15Å; Y194-F309 HydrophobicContact CD1-CE1 4.15Å; Y194-F309 HydrophobicContact CD2-CD1 4.35Å; Y194-F309 AromaticContact CD2-CE1 3.81Å; Y194-F309 HydrophobicContact CD2-CE1 3.81Å; Y194-F309 AromaticContact CG-CE1 3.59Å; Y194-F309 HydrophobicContact CG-CE1 3.59Å; Y194-F309 HydrophobicContact CG-CZ 4.39Å; Y194-R310 HydrophobicContact CD2-CG 4.41Å; Y194-R310 HydrophobicContact CE2-CG 4.49Å; Y194-Y313 HydrophobicContact CD1-CD2 4.03Å; Y194-Y313 AromaticContact CD1-CE2 3.48Å; Y194-Y313 HydrophobicContact CD1-CE2 3.48Å; Y194-Y313 VanDerWaalsContact CD1-CE2 3.48Å; Y194-Y313 AromaticContact CD1-CZ 3.95Å; Y194-Y313 HydrophobicContact CE1-CD1 4.26Å; Y194-Y313 AromaticContact CE1-CD2 3.69Å; Y194-Y313 HydrophobicContact CE1-CD2 3.69Å; Y194-Y313 AromaticContact CE1-CE1 3.92Å; Y194-Y313 HydrophobicContact CE1-CE1 3.92Å; Y194-Y313 AromaticContact CE1-CE2 3.29Å; Y194-Y313 HydrophobicContact CE1-CE2 3.29Å; Y194-Y313 HydrophobicContact CE1-CG 4.15Å; Y194-Y313 AromaticContact CE1-CZ 3.42Å; Y194-Y313 VanDerWaalsContact CE1-CZ 3.42Å; Y194-Y313 HydrophobicContact CE2-CD2 4.41Å; Y194-Y313 HydrophobicContact CG-CE2 4.33Å; Y194-Y313 AromaticContact CZ-CD2 3.89Å; Y194-Y313 AromaticContact CZ-CE2 3.99Å
195L95.4Very high95.4Very high51 Ų5141.5 Ų41.527%0.26723%0.227SC..Hα-helixtrans-66.6-42.8178.8-63.1178.6000111.7I180 H191 K192 K197 K198 N199I180-L195 HydrophobicContact CD1-CD1 3.6Å; H191-L195 PolarHBondContact O-N 3.21Å; H191-L195 VanDerWaalsContact O-N 3.07Å; K192-L195 PolarHBondContact O-N 3.37Å; L195-K197 PolarHBondContact O-N 3.43Å; L195-K198 WeakPolarHBondContact O-CB 3.47Å; L195-K198 PolarHBondContact O-N 2.78Å; L195-K198 VanDerWaalsContact O-N 3.12Å; L195-N199 WeakPolarHBondContact O-CB 3.44Å; L195-N199 VanDerWaalsContact O-CG 3.27Å; L195-N199 PolarHBondContact O-N 3.05Å
196A96.1Very high95.6Very high5 Ų542.6 Ų42.64%0.04122%0.224CC..Hα-helixtrans-57.1-48.7177.400000111.4K192 K198 N199 G200 E201K192-A196 WeakPolarHBondContact O-CB 3.43Å; K192-A196 PolarHBondContact O-N 3.41Å; A196-K198 PolarHBondContact O-N 3.43Å; A196-N199 PolarHBondContact O-N 2.75Å; A196-G200 PolarHBondContact O-N 3.08Å; A196-E201 CarbonylContact C-O 3.51Å; A196-E201 WeakPolarHBondContact CB-O 3.43Å; A196-E201 PolarHBondContact O-N 2.84Å
197K95.4Very high95.4Very high99 Ų9942.5 Ų42.543%0.4322%0.223SC..Hα-helixtrans-60.7-42.7174.1174.6167.5175.8-174.80112.5A193 L195 N199 M261 D262A193-K197 WeakPolarHBondContact O-CB 3.27Å; A193-K197 PolarHBondContact O-N 2.89Å; L195-K197 PolarHBondContact O-N 3.43Å; K197-N199 VanDerWaalsContact C-N 3.29Å; K197-N199 PolarHBondContact O-N 3.13Å; K197-M261 WeakPolarHBondContact CD-O 3.46Å; K197-M261 PolarHBondContact NZ-O 2.92Å; K197-D262 HydrophobicContact CD-CB 4.12Å; K197-D262 IonicContact NZ-OD2 2.67Å; K197-D262 PolarHBondContact NZ-OD2 3.13Å
198K94.1Very high95.4Very high142 Ų14243.5 Ų43.562%0.61723%0.231SC*.Hα-helixtrans-63.2-35.4179.4-174.8178.4178.6178.60112.3Y194 L195 A196Y194-K198 WeakPolarHBondContact O-CB 3.34Å; Y194-K198 PolarHBondContact O-N 3.29Å; L195-K198 WeakPolarHBondContact O-CB 3.47Å; L195-K198 PolarHBondContact O-N 2.78Å; L195-K198 VanDerWaalsContact O-N 3.12Å; A196-K198 PolarHBondContact O-N 3.43Å
199N95.2Very high95.5Very high96 Ų9643.3 Ų43.351%0.51323%0.229SC..Hα-helixtrans-93.7-12-176.4-63.4-14000113.9L195 A196 K197 E201L195-N199 WeakPolarHBondContact O-CB 3.44Å; L195-N199 VanDerWaalsContact O-CG 3.27Å; L195-N199 PolarHBondContact O-N 3.05Å; A196-N199 PolarHBondContact O-N 2.75Å; K197-N199 VanDerWaalsContact C-N 3.29Å; K197-N199 PolarHBondContact O-N 3.13Å; N199-E201 HydrophobicContact CB-CB 4.38Å; N199-E201 HydrophobicContact CB-CG 3.81Å; N199-E201 WeakPolarHBondContact CB-OE2 3.46Å; N199-E201 PolarHBondContact ND2-OE2 2.88Å; N199-E201 VanDerWaalsContact ND2-OE2 3.12Å
200G94.3Very high95.5Very high74 Ų7449.8 Ų49.876%0.76326%0.256SS*.THydrogen-bonded Turntrans72.630.3-171.700000113.2A196A196-G200 PolarHBondContact O-N 3.08Å
201E95.5Very high95.3Very high110 Ų11049.9 Ų49.951%0.51426%0.257SS..  trans-106.1160-178.5-67.6172.5155.800110.8A196 N199A196-E201 CarbonylContact C-O 3.51Å; A196-E201 WeakPolarHBondContact CB-O 3.43Å; A196-E201 PolarHBondContact O-N 2.84Å; N199-E201 HydrophobicContact CB-CB 4.38Å; N199-E201 HydrophobicContact CB-CG 3.81Å; N199-E201 WeakPolarHBondContact CB-OE2 3.46Å; N199-E201 PolarHBondContact ND2-OE2 2.88Å; N199-E201 VanDerWaalsContact ND2-OE2 3.12Å
202P96.1Very high95.3Very high43 Ų4351.2 Ų51.228%0.27927%0.265SS..  trans-70.6149.2170.828.8-34.9000112.2T204 E265 V267P202-T204 PolarHBondContact O-N 2.95Å; P202-T204 VanDerWaalsContact O-N 3.11Å; P202-E265 WeakPolarHBondContact CA-O 3.46Å; P202-E265 HydrophobicContact CB-CB 3.91Å; P202-E265 HydrophobicContact CB-CG 3.83Å; P202-V267 HydrophobicContact CB-CB 4.41Å; P202-V267 HydrophobicContact CB-CG2 3.71Å; P202-V267 HydrophobicContact CG-CG2 3.93Å
203L97.3Very high95.2Very high0 Ų050.9 Ų50.90%026%0.263CS..EExtended strand (participates in β ladder)trans-69.2108.1168.6173.457.3000109.6L189 K192 A193 V205 A258 E265 V267L189-L203 HydrophobicContact CD2-CD1 4.39Å; K192-L203 HydrophobicContact CB-CD1 3.57Å; A193-L203 HydrophobicContact CB-CD1 4.11Å; A193-L203 HydrophobicContact CB-CD2 4.07Å; L203-V205 HydrophobicContact CG-CG2 4.37Å; L203-V205 PolarHBondContact O-N 3.15Å; L203-A258 HydrophobicContact CD2-CB 4.04Å; L203-E265 PolarHBondContact N-O 2.96Å; L203-V267 PolarHBondContact O-N 2.9Å
204T96.3Very high95.3Very high55 Ų5551 Ų5134%0.33726%0.263SS..EExtended strand (participates in β ladder)trans-85.6111.3176-58.90000111.6P202 V267 D269P202-T204 PolarHBondContact O-N 2.95Å; P202-T204 VanDerWaalsContact O-N 3.11Å; T204-V267 CarbonylContact C-O 3.58Å; T204-V267 WeakPolarHBondContact CA-O 3.33Å; T204-D269 HydrophobicContact CG2-CB 3.89Å
205V95.4Very high95.4Very high2 Ų249 Ų491%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-92.1130.4173.7-174.40000108.9L189 L203 I250 A254 V267 F268 D269L189-V205 HydrophobicContact CD2-CB 4.45Å; L189-V205 HydrophobicContact CD2-CG1 4.28Å; L189-V205 HydrophobicContact CD2-CG2 3.93Å; L203-V205 HydrophobicContact CG-CG2 4.37Å; L203-V205 PolarHBondContact O-N 3.15Å; V205-I250 HydrophobicContact CG1-CG2 3.95Å; V205-A254 HydrophobicContact CG2-CB 3.55Å; V205-V267 PolarHBondContact N-O 3.18Å; V205-F268 HydrophobicContact CB-CD1 3.84Å; V205-F268 HydrophobicContact CB-CE1 3.88Å; V205-F268 HydrophobicContact CG1-CD1 4.01Å; V205-F268 HydrophobicContact CG1-CE1 3.86Å; V205-F268 HydrophobicContact CG2-CE1 4.19Å; V205-F268 WeakPolarHBondContact O-CA 3.26Å; V205-D269 PolarHBondContact O-N 2.81Å
206W93.4Very high95.5Very high91 Ų9146.6 Ų46.635%0.34524%0.243SC..EExtended strand (participates in β ladder)trans-81.3131.4177.1-69.1-7.7000110.8K192 K272K192-W206 VanDerWaalsContact NZ-CE2 3.26Å; W206-K272 HydrophobicContact CB-CB 3.75Å; W206-K272 HydrophobicContact CB-CG 3.96Å; W206-K272 HydrophobicContact CD2-CD 4.4Å; W206-K272 HydrophobicContact CD2-CG 4.09Å; W206-K272 HydrophobicContact CG-CB 4.11Å; W206-K272 HydrophobicContact CG-CG 3.74Å
207G92.2Very high95.6Very high0 Ų047.3 Ų47.30%025%0.245CC..SBendtrans88.7-177.7-175.700000113.4G209 F268 D269 D274G207-G209 VanDerWaalsContact C-N 3.26Å; G207-G209 PolarHBondContact O-N 2.94Å; G207-F268 WeakPolarHBondContact O-CD1 3.31Å; G207-D269 PolarHBondContact N-O 3.35Å; G207-D274 WeakPolarHBondContact CA-OD1 3.45Å
208S94.5Very high95.8Very high24 Ų2442.6 Ų42.617%0.16822%0.224CC..  trans-72.5-16.3-177.477.90000114.2K210 D274S208-K210 PolarHBondContact O-N 2.84Å; S208-K210 VanDerWaalsContact OG-CB 3.32Å; S208-K210 WeakPolarHBondContact OG-CB 3.4Å; S208-K210 VanDerWaalsContact OG-CG 3.29Å; S208-K210 WeakPolarHBondContact OG-CG 3.25Å; S208-K210 PolarHBondContact OG-N 3.48Å; S208-K210 VanDerWaalsContact OG-N 3.16Å; S208-D274 WeakPolarHBondContact CB-OD2 3.33Å; S208-D274 PolarHBondContact N-OD1 2.87Å; S208-D274 PolarHBondContact OG-OD1 3.19Å; S208-D274 PolarHBondContact OG-OD2 3.41Å
209G94.4Very high95.9Very high2 Ų236.4 Ų36.42%0.02120%0.198CC..SBendtrans78.4-2.4-173.100000114.8G207 P211 S249 I250 R251G207-G209 VanDerWaalsContact C-N 3.26Å; G207-G209 PolarHBondContact O-N 2.94Å; G209-P211 VanDerWaalsContact C-CD 3.47Å; G209-S249 WeakPolarHBondContact O-CB 3.18Å; G209-I250 PolarHBondContact O-N 3.35Å; G209-R251 PolarHBondContact O-N 2.96Å
210K96.4Very high96Very high142 Ų14232.5 Ų32.562%0.61718%0.177SC*.  trans-73.1-27.8-177.9-64.2176.9-178.4178.80116.4S208 F277S208-K210 PolarHBondContact O-N 2.84Å; S208-K210 VanDerWaalsContact OG-CB 3.32Å; S208-K210 WeakPolarHBondContact OG-CB 3.4Å; S208-K210 VanDerWaalsContact OG-CG 3.29Å; S208-K210 WeakPolarHBondContact OG-CG 3.25Å; S208-K210 PolarHBondContact OG-N 3.48Å; S208-K210 VanDerWaalsContact OG-N 3.16Å; K210-F277 HydrophobicContact CB-CE2 4.29Å
211P94.1Very high96.2Very high4 Ų429 Ų293%0.02614%0.141CC..  trans-55.7143.4179.7-28.736.2000112.6G209 S249 I250 D274 F277G209-P211 VanDerWaalsContact C-CD 3.47Å; P211-S249 CarbonylContact O-C 3.58Å; P211-S249 VanDerWaalsContact O-CA 3.27Å; P211-S249 WeakPolarHBondContact O-CA 3.46Å; P211-I250 HydrophobicContact CB-CG1 4.08Å; P211-I250 WeakPolarHBondContact O-CG1 3.45Å; P211-I250 PolarHBondContact O-N 3.49Å; P211-D274 HydrophobicContact CG-CB 3.68Å; P211-D274 WeakPolarHBondContact CG-O 3.42Å; P211-F277 CarbonylContact C-O 3.54Å; P211-F277 VanDerWaalsContact CA-O 3.27Å; P211-F277 WeakPolarHBondContact CA-O 3.39Å
212L95.7Very high96.3Very high46 Ų4623.7 Ų23.724%0.24112%0.116CC..EExtended strand (participates in β ladder)trans-104.5137.3-177.1-60.5-179.6000110.8E247 I248 F277 K278L212-E247 VanDerWaalsContact CB-CD 3.49Å; L212-E247 HydrophobicContact CB-CG 3.8Å; L212-E247 WeakPolarHBondContact CB-OE2 3.29Å; L212-E247 WeakPolarHBondContact CD1-OE2 3.32Å; L212-I248 WeakPolarHBondContact CA-O 3.45Å; L212-F277 HydrophobicContact CD1-CE1 4.4Å; L212-F277 HydrophobicContact CD1-CZ 4.45Å; L212-F277 HydrophobicContact CG-CZ 4.49Å; L212-F277 PolarHBondContact N-O 2.97Å; L212-K278 HydrophobicContact CB-CB 4.36Å
213R95.3Very high96.3Very high27 Ų2724.2 Ų24.210%0.10212%0.115CC..EExtended strand (participates in β ladder)trans-143144.4-179.3-60.8-65.4179.9-92.8-2.5111.3F215 I248 I250 Q276 F277R213-F215 HydrophobicContact CB-CD2 4.27Å; R213-F215 HydrophobicContact CB-CE1 4.33Å; R213-F215 HydrophobicContact CB-CE2 3.68Å; R213-F215 HydrophobicContact CB-CZ 3.72Å; R213-F215 HydrophobicContact CG-CZ 4.19Å; R213-I248 PolarHBondContact N-O 3.08Å; R213-I248 PolarHBondContact O-N 2.96Å; R213-I248 VanDerWaalsContact O-N 3.08Å; R213-I250 HydrophobicContact CG-CD1 3.86Å; R213-Q276 VanDerWaalsContact CZ-O 3.26Å; R213-Q276 PolarHBondContact NH1-O 3.35Å; R213-Q276 PolarHBondContact NH2-O 3.42Å; R213-F277 PolarHBondContact NH1-O 2.94Å
214Q97.8Very high96.4Very high3 Ų324.2 Ų24.21%0.01412%0.115CC..  trans-92.9116.5165.6-73162.8-64.700109.3T169 N170 V242 E247 A281T169-Q214 WeakPolarHBondContact CB-O 3.43Å; T169-Q214 HydrophobicContact CG2-CB 4.05Å; T169-Q214 PolarHBondContact OG1-O 2.79Å; N170-Q214 PolarHBondContact N-O 3.05Å; N170-Q214 VanDerWaalsContact N-O 3.14Å; Q214-V242 HydrophobicContact CB-CG2 3.83Å; Q214-V242 HydrophobicContact CG-CG2 3.98Å; Q214-V242 PolarHBondContact NE2-O 2.83Å; Q214-E247 HydrophobicContact CG-CB 3.98Å; Q214-E247 HydrophobicContact CG-CG 4.11Å; Q214-A281 PolarHBondContact NE2-O 3.16Å; Q214-A281 PolarHBondContact OE1-O 3.19Å
215F98Very high96.4Very high13 Ų1321.6 Ų21.66%0.05710%0.099CC..EExtended strand (participates in β ladder)trans-99141.4176.4-64.7-77000110.8N170 F172 L186 R213 V242 I248 I250 A253 F298N170-F215 HydrophobicContact CB-CD1 3.42Å; N170-F215 VanDerWaalsContact CB-CD1 3.42Å; N170-F215 HydrophobicContact CB-CE1 3.66Å; N170-F215 HydrophobicContact CB-CG 4.34Å; N170-F215 VanDerWaalsContact O-CA 3.29Å; N170-F215 WeakPolarHBondContact O-CA 3.48Å; F172-F215 HydrophobicContact CD1-CB 3.93Å; F172-F215 HydrophobicContact CE1-CB 3.78Å; L186-F215 HydrophobicContact CD1-CB 4.19Å; L186-F215 HydrophobicContact CD1-CD1 3.21Å; L186-F215 HydrophobicContact CD1-CD2 4.24Å; L186-F215 HydrophobicContact CD1-CE1 3.48Å; L186-F215 VanDerWaalsContact CD1-CE1 3.48Å; L186-F215 HydrophobicContact CD1-CE2 4.44Å; L186-F215 HydrophobicContact CD1-CG 3.63Å; L186-F215 HydrophobicContact CD1-CZ 4.1Å; L186-F215 HydrophobicContact CD2-CZ 4.46Å; L186-F215 HydrophobicContact CG-CD1 3.87Å; L186-F215 HydrophobicContact CG-CE1 3.55Å; L186-F215 HydrophobicContact CG-CZ 3.95Å; R213-F215 HydrophobicContact CB-CD2 4.27Å; R213-F215 HydrophobicContact CB-CE1 4.33Å; R213-F215 HydrophobicContact CB-CE2 3.68Å; R213-F215 HydrophobicContact CB-CZ 3.72Å; R213-F215 HydrophobicContact CG-CZ 4.19Å; F215-V242 WeakPolarHBondContact O-CG1 3.17Å; F215-I248 HydrophobicContact CD2-CD1 3.88Å; F215-I248 HydrophobicContact CD2-CG1 3.84Å; F215-I248 HydrophobicContact CE2-CD1 4.14Å; F215-I248 HydrophobicContact CE2-CG1 3.98Å; F215-I250 HydrophobicContact CZ-CD1 4.27Å; F215-A253 HydrophobicContact CE2-CB 4.07Å; F215-F298 HydrophobicContact CB-CD2 4.19Å; F215-F298 HydrophobicContact CB-CE2 3.81Å; F215-F298 AromaticContact CD2-CE2 3.95Å; F215-F298 HydrophobicContact CD2-CE2 3.95Å; F215-F298 HydrophobicContact CD2-CZ 4.32Å; F215-F298 HydrophobicContact CG-CE2 4.03Å
216I98.5Very high96.5Very high0 Ų021.6 Ų21.60%010%0.099CC..EExtended strand (participates in β ladder)trans-126.2128.3175.6-174.5170.6000109.7N170 V171 F172 L221 L224 L240 F295N170-I216 PolarHBondContact O-N 3.01Å; V171-I216 WeakPolarHBondContact CA-O 3.45Å; V171-I216 HydrophobicContact CB-CG2 4.35Å; V171-I216 HydrophobicContact CG2-CG2 3.94Å; F172-I216 WeakPolarHBondContact CD1-O 3.49Å; F172-I216 PolarHBondContact N-O 3.02Å; F172-I216 VanDerWaalsContact N-O 3.15Å; I216-L221 HydrophobicContact CD1-CB 3.93Å; I216-L221 HydrophobicContact CD1-CD1 4.17Å; I216-L221 HydrophobicContact CG1-CB 4.17Å; I216-L224 HydrophobicContact CD1-CD1 4.01Å; I216-L240 WeakPolarHBondContact CD1-O 3.44Å; I216-F295 HydrophobicContact CD1-CE1 3.89Å; I216-F295 HydrophobicContact CG1-CE1 4.19Å
217Y98.5Very high96.7Very high20 Ų2018.7 Ų18.78%0.0789%0.088CC..EExtended strand (participates in β ladder)trans-68.7135.9178-175.8-140.7000110.3F172 V219 D220 L221 T296 A301 Y304F172-Y217 HydrophobicContact CE2-CD2 4.19Å; F172-Y217 HydrophobicContact CZ-CD2 4.41Å; F172-Y217 CarbonylContact O-C 3.53Å; Y217-V219 HydrophobicContact CD1-CB 3.77Å; Y217-V219 HydrophobicContact CD1-CG2 4.16Å; Y217-V219 HydrophobicContact CE1-CB 3.51Å; Y217-V219 HydrophobicContact CE1-CG1 4.45Å; Y217-V219 HydrophobicContact CE1-CG2 3.47Å; Y217-V219 VanDerWaalsContact CE1-CG2 3.47Å; Y217-V219 HydrophobicContact CE2-CG2 4.26Å; Y217-V219 PolarHBondContact O-N 2.92Å; Y217-D220 WeakPolarHBondContact O-CB 3.34Å; Y217-D220 PolarHBondContact O-N 3.1Å; Y217-L221 PolarHBondContact O-N 3.39Å; Y217-T296 HydrophobicContact CD1-CG2 4.29Å; Y217-A301 HydrophobicContact CD1-CB 4.05Å; Y217-A301 HydrophobicContact CD2-CB 3.88Å; Y217-A301 HydrophobicContact CE2-CB 4.44Å; Y217-A301 HydrophobicContact CG-CB 3.68Å; Y217-Y304 HydrophobicContact CE1-CD2 4.39Å
218S98.1Very high97Very high0 Ų018.7 Ų18.70%09%0.088CC..Hα-helixtrans-62.2-29.1-172.9660000113.4G17 F172 G222G17-S218 WeakPolarHBondContact CA-O 3.23Å; F172-S218 WeakPolarHBondContact O-CB 3.5Å; F172-S218 PolarHBondContact O-N 2.91Å; S218-G222 PolarHBondContact O-N 3.42Å
219V97Very high97.1Very high13 Ų1317.8 Ų17.88%0.0798%0.081CC..Hα-helixtrans-71.4-42.7174.6-178.20000111.1L20 A21 N24 Y217 G222 H223L20-V219 HydrophobicContact CB-CG2 3.94Å; L20-V219 HydrophobicContact CD1-CG2 3.95Å; A21-V219 HydrophobicContact CB-CG1 4.34Å; N24-V219 VanDerWaalsContact ND2-CG1 3.25Å; N24-V219 WeakPolarHBondContact ND2-CG1 3.33Å; Y217-V219 HydrophobicContact CD1-CB 3.77Å; Y217-V219 HydrophobicContact CD1-CG2 4.16Å; Y217-V219 HydrophobicContact CE1-CB 3.51Å; Y217-V219 HydrophobicContact CE1-CG1 4.45Å; Y217-V219 HydrophobicContact CE1-CG2 3.47Å; Y217-V219 VanDerWaalsContact CE1-CG2 3.47Å; Y217-V219 HydrophobicContact CE2-CG2 4.26Å; Y217-V219 PolarHBondContact O-N 2.92Å; V219-G222 WeakPolarHBondContact O-CA 3.24Å; V219-G222 PolarHBondContact O-N 3.41Å; V219-G222 VanDerWaalsContact O-N 3.14Å; V219-H223 PolarHBondContact O-N 2.78Å
220D97.5Very high97.2Very high13 Ų1319.7 Ų19.77%0.079%0.088CC..Hα-helixtrans-62.9-45.2175.5-65.4-10.1000110.4Y217 G222 H223 L224 F293 F295 T296Y217-D220 WeakPolarHBondContact O-CB 3.34Å; Y217-D220 PolarHBondContact O-N 3.1Å; D220-G222 VanDerWaalsContact C-N 3.27Å; D220-G222 PolarHBondContact O-N 2.76Å; D220-H223 WeakPolarHBondContact O-CB 3.38Å; D220-H223 PolarHBondContact O-N 3.48Å; D220-L224 WeakPolarHBondContact O-CG 3.37Å; D220-L224 PolarHBondContact O-N 3.05Å; D220-F293 HydrophobicContact CB-CE1 4.4Å; D220-F293 HydrophobicContact CB-CZ 4.11Å; D220-F295 HydrophobicContact CB-CD1 4.16Å; D220-T296 PolarHBondContact OD1-OG1 3.5Å; D220-T296 WeakPolarHBondContact OD2-CB 3.37Å; D220-T296 PolarHBondContact OD2-N 3.26Å; D220-T296 PolarHBondContact OD2-OG1 2.98Å
221L98.4Very high97.3Very high0 Ų017.9 Ų17.90%08%0.081CC..Hα-helixtrans-59.5-40.3173178.660000111.3V14 I166 P168 V171 I216 Y217 H223 L224 I225 L240V14-L221 HydrophobicContact CG1-CD2 3.96Å; V14-L221 HydrophobicContact CG1-CG 4.38Å; V14-L221 HydrophobicContact CG2-CD2 3.99Å; I166-L221 HydrophobicContact CD1-CD1 4.07Å; P168-L221 HydrophobicContact CB-CD1 4.01Å; P168-L221 HydrophobicContact CB-CD2 3.82Å; P168-L221 HydrophobicContact CG-CD2 4.39Å; V171-L221 HydrophobicContact CB-CD2 4.36Å; V171-L221 HydrophobicContact CG1-CD2 3.79Å; V171-L221 HydrophobicContact CG2-CD2 3.55Å; I216-L221 HydrophobicContact CD1-CB 3.93Å; I216-L221 HydrophobicContact CD1-CD1 4.17Å; I216-L221 HydrophobicContact CG1-CB 4.17Å; Y217-L221 PolarHBondContact O-N 3.39Å; L221-H223 PolarHBondContact O-N 3.25Å; L221-L224 PolarHBondContact O-N 2.88Å; L221-I225 HydrophobicContact CD1-CD1 4.07Å; L221-I225 HydrophobicContact CD1-CG1 4.14Å; L221-I225 HydrophobicContact CD2-CD1 4.47Å; L221-I225 HydrophobicContact CG-CD1 3.83Å; L221-I225 HydrophobicContact CG-CG1 4.36Å; L221-I225 WeakPolarHBondContact O-CB 3.43Å; L221-I225 VanDerWaalsContact O-CG1 3.27Å; L221-I225 WeakPolarHBondContact O-CG1 3.34Å; L221-I225 PolarHBondContact O-N 3.07Å; L221-L240 HydrophobicContact CD1-CB 3.9Å; L221-L240 HydrophobicContact CD1-CD1 3.66Å; L221-L240 HydrophobicContact CD1-CG 4.46Å
222G97.6Very high97.4Very high0 Ų018.1 Ų18.10%08%0.082CC..Hα-helixtrans-57-46.8174.400000112.4S218 V219 D220 I225 I226S218-G222 PolarHBondContact O-N 3.42Å; V219-G222 WeakPolarHBondContact O-CA 3.24Å; V219-G222 PolarHBondContact O-N 3.41Å; V219-G222 VanDerWaalsContact O-N 3.14Å; D220-G222 VanDerWaalsContact C-N 3.27Å; D220-G222 PolarHBondContact O-N 2.76Å; G222-I225 PolarHBondContact O-N 3.46Å; G222-I226 WeakPolarHBondContact O-CD1 3.46Å; G222-I226 VanDerWaalsContact O-CG1 3.26Å; G222-I226 WeakPolarHBondContact O-CG1 3.45Å; G222-I226 PolarHBondContact O-N 3.09Å; G222-I226 VanDerWaalsContact O-N 3.09Å
223H96.4Very high97.5Very high54 Ų5421.4 Ų21.425%0.2510%0.1CC..Hα-helixtrans-61.4-48174.3-174.4174.8000111A21 L29 V219 D220 L221 I225 I226 W227 Y290 F293A21-H223 HydrophobicContact CB-CB 4.41Å; L29-H223 HydrophobicContact CD1-CB 4.02Å; V219-H223 PolarHBondContact O-N 2.78Å; D220-H223 WeakPolarHBondContact O-CB 3.38Å; D220-H223 PolarHBondContact O-N 3.48Å; L221-H223 PolarHBondContact O-N 3.25Å; H223-I225 VanDerWaalsContact C-N 3.31Å; H223-I225 PolarHBondContact O-N 3.31Å; H223-I226 WeakPolarHBondContact O-CB 3.47Å; H223-I226 PolarHBondContact O-N 2.73Å; H223-I226 VanDerWaalsContact O-N 3.13Å; H223-W227 PolarHBondContact O-N 2.76Å; H223-Y290 PolarHBondContact NE2-OH 3.34Å; H223-F293 HydrophobicContact CB-CE2 4.07Å; H223-F293 HydrophobicContact CB-CZ 4.47Å; H223-F293 AromaticContact CE1-CE2 3.86Å; H223-F293 AromaticContact CG-CE2 3.68Å; H223-F293 AromaticContact ND1-CE2 3.46Å; H223-F293 WeakPolarHBondContact ND1-CE2 3.37Å
224L98Very high97.5Very high0 Ų023.8 Ų23.80%011%0.114CC..Hα-helixtrans-62.4-35.1179-68.9176000113I216 D220 L221 W227 T228 L240 L286 Y290 F293 F295I216-L224 HydrophobicContact CD1-CD1 4.01Å; D220-L224 WeakPolarHBondContact O-CG 3.37Å; D220-L224 PolarHBondContact O-N 3.05Å; L221-L224 PolarHBondContact O-N 2.88Å; L224-W227 PolarHBondContact O-N 3.19Å; L224-T228 WeakPolarHBondContact O-CB 3.47Å; L224-T228 PolarHBondContact O-N 3.41Å; L224-T228 PolarHBondContact O-OG1 3.06Å; L224-L240 HydrophobicContact CB-CD1 3.82Å; L224-L240 HydrophobicContact CB-CD2 4.24Å; L224-L240 HydrophobicContact CD1-CB 4.27Å; L224-L240 HydrophobicContact CD1-CD2 4.42Å; L224-L286 HydrophobicContact CD1-CD2 3.93Å; L224-L286 HydrophobicContact CD2-CD1 3.87Å; L224-L286 HydrophobicContact CD2-CD2 4.25Å; L224-Y290 HydrophobicContact CD2-CD1 4.21Å; L224-F293 HydrophobicContact CD1-CE1 4.02Å; L224-F293 HydrophobicContact CD1-CZ 4.15Å; L224-F293 HydrophobicContact CD2-CD1 3.91Å; L224-F293 HydrophobicContact CD2-CD2 3.59Å; L224-F293 HydrophobicContact CD2-CE1 3.91Å; L224-F293 HydrophobicContact CD2-CE2 3.56Å; L224-F293 HydrophobicContact CD2-CG 3.76Å; L224-F293 HydrophobicContact CD2-CZ 3.74Å; L224-F293 HydrophobicContact CG-CD1 4.43Å; L224-F293 HydrophobicContact CG-CD2 4.37Å; L224-F293 HydrophobicContact CG-CE1 3.93Å; L224-F293 HydrophobicContact CG-CE2 3.83Å; L224-F293 HydrophobicContact CG-CZ 3.61Å; L224-F295 HydrophobicContact CD1-CE1 3.81Å; L224-F295 HydrophobicContact CD1-CZ 3.94Å
225I98.3Very high97.4Very high0 Ų025.6 Ų25.60%013%0.127CC..Hα-helixtrans-65.3-43.6173.8-72.9165.4000110.9V14 I18 I65 L67 I166 L221 G222 H223 W227 T228 L229 L240V14-I225 HydrophobicContact CG1-CD1 3.44Å; V14-I225 VanDerWaalsContact CG1-CD1 3.44Å; I18-I225 HydrophobicContact CD1-CB 4.4Å; I18-I225 HydrophobicContact CD1-CD1 4.09Å; I18-I225 HydrophobicContact CD1-CG2 3.82Å; I18-I225 HydrophobicContact CG1-CB 4.43Å; I18-I225 HydrophobicContact CG1-CD1 4.27Å; I18-I225 HydrophobicContact CG1-CG2 4.32Å; I65-I225 HydrophobicContact CD1-CG2 3.72Å; I65-I225 HydrophobicContact CG1-CG2 4.17Å; I65-I225 HydrophobicContact CG2-CG2 3.85Å; L67-I225 HydrophobicContact CD2-CD1 4.42Å; I166-I225 HydrophobicContact CD1-CD1 3.67Å; I166-I225 HydrophobicContact CD1-CG1 3.54Å; L221-I225 HydrophobicContact CD1-CD1 4.07Å; L221-I225 HydrophobicContact CD1-CG1 4.14Å; L221-I225 HydrophobicContact CD2-CD1 4.47Å; L221-I225 HydrophobicContact CG-CD1 3.83Å; L221-I225 HydrophobicContact CG-CG1 4.36Å; L221-I225 WeakPolarHBondContact O-CB 3.43Å; L221-I225 VanDerWaalsContact O-CG1 3.27Å; L221-I225 WeakPolarHBondContact O-CG1 3.34Å; L221-I225 PolarHBondContact O-N 3.07Å; G222-I225 PolarHBondContact O-N 3.46Å; H223-I225 VanDerWaalsContact C-N 3.31Å; H223-I225 PolarHBondContact O-N 3.31Å; I225-W227 VanDerWaalsContact C-N 3.32Å; I225-W227 PolarHBondContact O-N 3.32Å; I225-T228 PolarHBondContact O-N 3.21Å; I225-L229 PolarHBondContact O-N 3.16Å; I225-L240 HydrophobicContact CG1-CD1 4.29Å
226I97.1Very high97.4Very high1 Ų126.6 Ų26.61%0.00514%0.136CC..Hα-helixtrans-63.3-41.1176.9-66.3159.7000110.4I18 A21 L22 L29 W36 G222 H223 L229 R230I18-I226 HydrophobicContact CG2-CD1 4.22Å; I18-I226 HydrophobicContact CG2-CG1 4.23Å; A21-I226 HydrophobicContact CB-CD1 4.02Å; L22-I226 HydrophobicContact CD2-CD1 3.68Å; L22-I226 HydrophobicContact CD2-CG1 4.39Å; L22-I226 HydrophobicContact CG-CD1 3.78Å; L29-I226 HydrophobicContact CB-CD1 4.45Å; L29-I226 HydrophobicContact CD1-CD1 3.82Å; W36-I226 HydrophobicContact CH2-CG1 3.93Å; G222-I226 WeakPolarHBondContact O-CD1 3.46Å; G222-I226 VanDerWaalsContact O-CG1 3.26Å; G222-I226 WeakPolarHBondContact O-CG1 3.45Å; G222-I226 PolarHBondContact O-N 3.09Å; G222-I226 VanDerWaalsContact O-N 3.09Å; H223-I226 WeakPolarHBondContact O-CB 3.47Å; H223-I226 PolarHBondContact O-N 2.73Å; H223-I226 VanDerWaalsContact O-N 3.13Å; I226-L229 WeakPolarHBondContact O-CB 3.38Å; I226-L229 PolarHBondContact O-N 2.58Å; I226-R230 WeakPolarHBondContact O-CD 3.47Å; I226-R230 WeakPolarHBondContact O-CG 3.32Å; I226-R230 PolarHBondContact O-N 3.35Å
227W96.9Very high97.4Very high30 Ų3026.7 Ų26.711%0.11414%0.136CC..Hα-helixtrans-62.2-46.8172.917186.4000111.3H223 L224 I225 L229 R230 E231 I238 L286 L289 Y290H223-W227 PolarHBondContact O-N 2.76Å; L224-W227 PolarHBondContact O-N 3.19Å; I225-W227 VanDerWaalsContact C-N 3.32Å; I225-W227 PolarHBondContact O-N 3.32Å; W227-L229 VanDerWaalsContact C-N 3.26Å; W227-L229 PolarHBondContact O-N 3.24Å; W227-R230 PolarHBondContact O-N 2.69Å; W227-E231 HydrophobicContact CG-CG 4.41Å; W227-E231 HydrophobicContact CZ2-CB 4.48Å; W227-E231 PolarHBondContact O-N 3.22Å; W227-I238 HydrophobicContact CH2-CD1 4.21Å; W227-I238 HydrophobicContact CZ3-CD1 3.99Å; W227-L286 HydrophobicContact CH2-CD1 4.46Å; W227-L286 HydrophobicContact CZ3-CD1 4.1Å; W227-L289 HydrophobicContact CH2-CB 3.71Å; W227-L289 HydrophobicContact CH2-CD1 4.24Å; W227-L289 HydrophobicContact CZ2-CB 3.82Å; W227-Y290 HydrophobicContact CB-CD1 4.33Å; W227-Y290 HydrophobicContact CB-CE1 4.07Å; W227-Y290 AromaticContact CD1-CD1 3.49Å; W227-Y290 VanDerWaalsContact CD1-CD1 3.49Å; W227-Y290 AromaticContact CD1-CE1 3.5Å; W227-Y290 VanDerWaalsContact CD1-CE1 3.5Å; W227-Y290 AromaticContact CD2-CD1 3.71Å; W227-Y290 HydrophobicContact CD2-CD1 3.71Å; W227-Y290 HydrophobicContact CD2-CE1 4.31Å; W227-Y290 HydrophobicContact CD2-CG 4.46Å; W227-Y290 AromaticContact CE2-CD1 3.74Å; W227-Y290 HydrophobicContact CE3-CD1 4.47Å; W227-Y290 AromaticContact CG-CD1 3.59Å; W227-Y290 HydrophobicContact CG-CD1 3.59Å; W227-Y290 AromaticContact CG-CE1 3.69Å; W227-Y290 HydrophobicContact CG-CE1 3.69Å; W227-Y290 AromaticContact NE1-CD1 3.56Å; W227-Y290 AromaticContact NE1-CG 3.82Å
228T98.2Very high97.4Very high0 Ų025.7 Ų25.70%013%0.133CC..Hα-helixtrans-58.1-41.3178.1-54.10000110.7I108 I166 L224 I225 R230 Y232 I238I108-T228 VanDerWaalsContact CD1-C 3.49Å; I108-T228 HydrophobicContact CD1-CG2 3.63Å; I108-T228 HydrophobicContact CG1-CG2 4.33Å; I108-T228 HydrophobicContact CG2-CG2 4.43Å; I166-T228 HydrophobicContact CG2-CG2 3.93Å; L224-T228 WeakPolarHBondContact O-CB 3.47Å; L224-T228 PolarHBondContact O-N 3.41Å; L224-T228 PolarHBondContact O-OG1 3.06Å; I225-T228 PolarHBondContact O-N 3.21Å; T228-R230 VanDerWaalsContact C-N 3.31Å; T228-R230 PolarHBondContact O-N 3.4Å; T228-Y232 HydrophobicContact CG2-CD1 3.83Å; T228-Y232 HydrophobicContact CG2-CG 4.13Å; T228-Y232 WeakPolarHBondContact O-CB 3.06Å; T228-Y232 PolarHBondContact O-N 2.9Å; T228-I238 HydrophobicContact CG2-CG2 4.25Å
229L97.7Very high97.4Very high6 Ų625.7 Ų25.73%0.03113%0.133CC..Hα-helixtrans-58-44.4176.5-178.669000112.2V5 W36 Y63 I65 K106 I108 I225 I226 W227V5-L229 HydrophobicContact CG1-CD2 3.86Å; V5-L229 HydrophobicContact CG2-CD2 3.88Å; W36-L229 HydrophobicContact CH2-CD2 3.82Å; W36-L229 HydrophobicContact CZ2-CD2 4.37Å; Y63-L229 HydrophobicContact CD1-CD1 4.37Å; Y63-L229 HydrophobicContact CD2-CD1 4.31Å; Y63-L229 HydrophobicContact CG-CD1 3.88Å; I65-L229 HydrophobicContact CD1-CD2 4.27Å; K106-L229 HydrophobicContact CD-CD1 4.25Å; K106-L229 WeakPolarHBondContact CD-O 3.49Å; K106-L229 PolarHBondContact NZ-O 2.8Å; I108-L229 HydrophobicContact CD1-CB 3.81Å; I108-L229 HydrophobicContact CD1-CD1 4.13Å; I225-L229 PolarHBondContact O-N 3.16Å; I226-L229 WeakPolarHBondContact O-CB 3.38Å; I226-L229 PolarHBondContact O-N 2.58Å; W227-L229 VanDerWaalsContact C-N 3.26Å; W227-L229 PolarHBondContact O-N 3.24Å
230R96.2Very high97.5Very high42 Ų4225.1 Ų25.116%0.15813%0.129CC..Hα-helixtrans-86.9-38.5-170.5-68.2166.3171.9168.85113L29 E34 I226 W227 T228L29-R230 VanDerWaalsContact O-CZ 3.27Å; L29-R230 PolarHBondContact O-NH1 2.89Å; L29-R230 PolarHBondContact O-NH2 3.28Å; E34-R230 IonicContact OE1-CZ 3.85Å; E34-R230 IonicContact OE1-NE 3.9Å; E34-R230 PolarHBondContact OE1-NE 3.08Å; E34-R230 VanDerWaalsContact OE1-NE 3.1Å; E34-R230 IonicContact OE1-NH2 2.68Å; E34-R230 PolarHBondContact OE1-NH2 2.74Å; E34-R230 IonicContact OE2-CZ 3.87Å; E34-R230 IonicContact OE2-NH2 3.78Å; E34-R230 PolarHBondContact OE2-NH2 3.4Å; I226-R230 WeakPolarHBondContact O-CD 3.47Å; I226-R230 WeakPolarHBondContact O-CG 3.32Å; I226-R230 PolarHBondContact O-N 3.35Å; W227-R230 PolarHBondContact O-N 2.69Å; T228-R230 VanDerWaalsContact C-N 3.31Å; T228-R230 PolarHBondContact O-N 3.4Å
231E97.1Very high97.5Very high103 Ų10324.5 Ų24.548%0.48113%0.126SC..Hα-helixtrans-117.1-28.1-164.6-50.2-53.7144.700113.5R31 W227 N233R31-E231 IonicContact NH2-OE1 3.24Å; W227-E231 HydrophobicContact CG-CG 4.41Å; W227-E231 HydrophobicContact CZ2-CB 4.48Å; W227-E231 PolarHBondContact O-N 3.22Å; E231-N233 PolarHBondContact O-N 3.31Å; E231-N233 PolarHBondContact O-ND2 2.85Å
232Y97.9Very high97.5Very high10 Ų1025.1 Ų25.14%0.03913%0.13CC..  trans-83113.9-178.2-169.7-118.2000111.2K106 T164 T228 D234 S236 I238 L289K106-Y232 PolarHBondContact NZ-O 3.5Å; T164-Y232 HydrophobicContact CG2-CD1 4.34Å; T228-Y232 HydrophobicContact CG2-CD1 3.83Å; T228-Y232 HydrophobicContact CG2-CG 4.13Å; T228-Y232 WeakPolarHBondContact O-CB 3.06Å; T228-Y232 PolarHBondContact O-N 2.9Å; Y232-D234 HydrophobicContact CE1-CB 4.19Å; Y232-D234 VanDerWaalsContact CE1-O 3.3Å; Y232-D234 WeakPolarHBondContact CE1-O 3.27Å; Y232-D234 HydrophobicContact CE2-CB 3.87Å; Y232-S236 WeakPolarHBondContact CE1-O 3.2Å; Y232-S236 PolarHBondContact OH-O 3.13Å; Y232-S236 VanDerWaalsContact OH-O 3.07Å; Y232-S236 PolarHBondContact OH-OG 2.95Å; Y232-I238 HydrophobicContact CD1-CG2 4.14Å; Y232-I238 HydrophobicContact CD2-CD1 4.25Å; Y232-I238 HydrophobicContact CE1-CB 4.02Å; Y232-I238 HydrophobicContact CE1-CG2 3.93Å; Y232-I238 HydrophobicContact CE2-CB 4.5Å; Y232-I238 HydrophobicContact CE2-CD1 4.11Å; Y232-L289 HydrophobicContact CD2-CD1 3.82Å; Y232-L289 HydrophobicContact CE2-CD1 3.68Å
233N96.7Very high97.5Very high115 Ų11526.4 Ų26.462%0.61514%0.138SC*.  trans-117.529.4-172.5-63.3-51.3000114.4K106 L162 E231K106-N233 PolarHBondContact NZ-OD1 3.44Å; L162-N233 HydrophobicContact CD2-CB 4.12Å; E231-N233 PolarHBondContact O-N 3.31Å; E231-N233 PolarHBondContact O-ND2 2.85Å
234D96Very high97.5Very high76 Ų7627.3 Ų27.341%0.40614%0.142SC..  trans-117.2139.3178.5-173.6-45.8000109.4T164 Y232 S236T164-D234 WeakPolarHBondContact CB-O 3.49Å; T164-D234 PolarHBondContact OG1-O 2.96Å; T164-D234 VanDerWaalsContact OG1-O 3.05Å; Y232-D234 HydrophobicContact CE1-CB 4.19Å; Y232-D234 VanDerWaalsContact CE1-O 3.3Å; Y232-D234 WeakPolarHBondContact CE1-O 3.27Å; Y232-D234 HydrophobicContact CE2-CB 3.87Å; D234-S236 VanDerWaalsContact C-N 3.33Å; D234-S236 VanDerWaalsContact CG-OG 3.3Å; D234-S236 WeakPolarHBondContact OD1-CA 3.36Å; D234-S236 WeakPolarHBondContact OD1-CB 3.37Å; D234-S236 PolarHBondContact OD1-N 2.86Å; D234-S236 PolarHBondContact OD1-OG 3.38Å
235S96Very high97.4Very high41 Ų4132.1 Ų32.129%0.28718%0.176SC..SBendtrans-77.6-18.7-178.958.60000113.1T164T164-S235 PolarHBondContact OG1-O 2.95Å
236S97.3Very high97.4Very high34 Ų3436 Ų3624%0.23820%0.196CC..SBendtrans-64.5149.7173.869.30000111.2T164 Y232 D234 K285T164-S236 PolarHBondContact OG1-O 3.38Å; Y232-S236 WeakPolarHBondContact CE1-O 3.2Å; Y232-S236 PolarHBondContact OH-O 3.13Å; Y232-S236 VanDerWaalsContact OH-O 3.07Å; Y232-S236 PolarHBondContact OH-OG 2.95Å; D234-S236 VanDerWaalsContact C-N 3.33Å; D234-S236 VanDerWaalsContact CG-OG 3.3Å; D234-S236 WeakPolarHBondContact OD1-CA 3.36Å; D234-S236 WeakPolarHBondContact OD1-CB 3.37Å; D234-S236 PolarHBondContact OD1-N 2.86Å; D234-S236 PolarHBondContact OD1-OG 3.38Å; S236-K285 PolarHBondContact OG-NZ 2.58Å
237P98.3Very high97.4Very high2 Ų237.6 Ų37.61%0.01320%0.204CC..  trans-62.3157.7174.3-21.132.4000112.6L111 E126 D149 S165 I167 K285L111-P237 HydrophobicContact CD1-CG 4.43Å; E126-P237 HydrophobicContact CB-CB 4.41Å; E126-P237 WeakPolarHBondContact CB-O 3.47Å; E126-P237 VanDerWaalsContact CG-O 3.29Å; E126-P237 WeakPolarHBondContact CG-O 3.43Å; D149-P237 WeakPolarHBondContact OD1-CD 3.46Å; D149-P237 WeakPolarHBondContact OD1-CG 3.3Å; S165-P237 VanDerWaalsContact O-CA 3.25Å; S165-P237 WeakPolarHBondContact O-CA 3.46Å; I167-P237 HydrophobicContact CD1-CB 3.76Å; I167-P237 HydrophobicContact CG1-CB 3.99Å; P237-K285 PolarHBondContact O-NZ 3.34Å
238I98.7Very high97.4Very high0 Ų037.5 Ų37.50%021%0.206CC..EExtended strand (participates in β ladder)trans-127.3130169.7-172.6168.2000111.2E126 S165 I166 I167 W227 T228 Y232 L240 K285 L286 L289E126-I238 WeakPolarHBondContact OE1-CA 3.36Å; S165-I238 PolarHBondContact O-N 3.29Å; I166-I238 CarbonylContact C-O 3.52Å; I166-I238 WeakPolarHBondContact CA-O 3.31Å; I166-I238 HydrophobicContact CG2-CG2 4.01Å; I167-I238 PolarHBondContact N-O 3.43Å; W227-I238 HydrophobicContact CH2-CD1 4.21Å; W227-I238 HydrophobicContact CZ3-CD1 3.99Å; T228-I238 HydrophobicContact CG2-CG2 4.25Å; Y232-I238 HydrophobicContact CD1-CG2 4.14Å; Y232-I238 HydrophobicContact CD2-CD1 4.25Å; Y232-I238 HydrophobicContact CE1-CB 4.02Å; Y232-I238 HydrophobicContact CE1-CG2 3.93Å; Y232-I238 HydrophobicContact CE2-CB 4.5Å; Y232-I238 HydrophobicContact CE2-CD1 4.11Å; I238-L240 HydrophobicContact CG1-CD2 4.31Å; I238-L240 HydrophobicContact CG2-CD2 4.18Å; I238-L240 PolarHBondContact O-N 3.16Å; I238-K285 HydrophobicContact CB-CD 4.3Å; I238-K285 HydrophobicContact CD1-CD 4.34Å; I238-K285 HydrophobicContact CD1-CG 4.31Å; I238-K285 HydrophobicContact CG1-CD 4.02Å; I238-K285 HydrophobicContact CG1-CG 4.3Å; I238-L286 HydrophobicContact CD1-CB 4.41Å; I238-L289 HydrophobicContact CD1-CD1 4.1Å
239I98.7Very high97.3Very high0 Ų038.3 Ų38.30%021%0.211CC..EExtended strand (participates in β ladder)trans-74124.9172.4-75.7155.7000109.3F116 E126 I167 A281F116-I239 HydrophobicContact CZ-CD1 4.17Å; E126-I239 HydrophobicContact CG-CB 4.36Å; E126-I239 HydrophobicContact CG-CD1 3.85Å; E126-I239 HydrophobicContact CG-CG1 3.8Å; E126-I239 PolarHBondContact OE1-N 2.93Å; I167-I239 HydrophobicContact CB-CG1 3.93Å; I167-I239 HydrophobicContact CD1-CG1 4.28Å; I167-I239 HydrophobicContact CG2-CG1 4.39Å; I167-I239 WeakPolarHBondContact O-CA 3.43Å; I239-A281 HydrophobicContact CD1-CB 4.35Å; I239-A281 HydrophobicContact CG2-CB 4.03Å
240L98.7Very high97.3Very high0 Ų038.6 Ų38.60%021%0.213CC..EExtended strand (participates in β ladder)trans-107.791.8173.8-60-171.5000108.9I166 I167 P168 I216 L221 L224 I225 I238 L286I166-L240 HydrophobicContact CB-CD1 3.7Å; I166-L240 HydrophobicContact CB-CG 4Å; I166-L240 HydrophobicContact CD1-CD1 3.93Å; I166-L240 HydrophobicContact CG1-CD1 4.43Å; I166-L240 HydrophobicContact CG2-CD1 3.45Å; I166-L240 VanDerWaalsContact CG2-CD1 3.45Å; I166-L240 HydrophobicContact CG2-CG 3.96Å; I167-L240 PolarHBondContact O-N 3.08Å; P168-L240 WeakPolarHBondContact CA-O 3.27Å; I216-L240 WeakPolarHBondContact CD1-O 3.44Å; L221-L240 HydrophobicContact CD1-CB 3.9Å; L221-L240 HydrophobicContact CD1-CD1 3.66Å; L221-L240 HydrophobicContact CD1-CG 4.46Å; L224-L240 HydrophobicContact CB-CD1 3.82Å; L224-L240 HydrophobicContact CB-CD2 4.24Å; L224-L240 HydrophobicContact CD1-CB 4.27Å; L224-L240 HydrophobicContact CD1-CD2 4.42Å; I225-L240 HydrophobicContact CG1-CD1 4.29Å; I238-L240 HydrophobicContact CG1-CD2 4.31Å; I238-L240 HydrophobicContact CG2-CD2 4.18Å; I238-L240 PolarHBondContact O-N 3.16Å; L240-L286 HydrophobicContact CD2-CD1 4.18Å; L240-L286 HydrophobicContact CD2-CD2 4.25Å
241S98.4Very high97.4Very high0 Ų041.8 Ų41.80%023%0.225CC..  trans-144.3162.1-177.8-160.50000112.2T169 F295T169-S241 WeakPolarHBondContact CG2-OG 3.46Å; T169-S241 PolarHBondContact OG1-OG 3.13Å; S241-F295 WeakPolarHBondContact O-CZ 3.45Å
242V98Very high97.4Very high14 Ų1441.1 Ų41.19%0.08522%0.222CC..  trans-63.2156.2162.9-63.20000110Q214 F215 D246 F295Q214-V242 HydrophobicContact CB-CG2 3.83Å; Q214-V242 HydrophobicContact CG-CG2 3.98Å; Q214-V242 PolarHBondContact NE2-O 2.83Å; F215-V242 WeakPolarHBondContact O-CG1 3.17Å; V242-D246 HydrophobicContact CB-CB 4.03Å; V242-D246 HydrophobicContact CG2-CB 4.01Å; V242-F295 HydrophobicContact CG1-CB 4.41Å; V242-F295 HydrophobicContact CG1-CD1 3.8Å; V242-F295 HydrophobicContact CG1-CD2 4.4Å; V242-F295 HydrophobicContact CG1-CE1 4.15Å; V242-F295 HydrophobicContact CG1-CG 3.95Å
243P96.8Very high97.4Very high27 Ų2740.7 Ų40.718%0.17522%0.22CC..  trans-53.4157.6172.8-25.434.9000113.3S245 D246P243-S245 PolarHBondContact O-N 2.95Å; P243-D246 WeakPolarHBondContact CD-OD2 3.46Å; P243-D246 PolarHBondContact O-N 3.27Å
244E96.5Very high97.4Very high72 Ų7235.2 Ų35.234%0.33619%0.191SC..G310 helixtrans-60.9-30177.4-61.3164-156.800112.4P123 D246 E247 T280 N282P123-E244 HydrophobicContact CB-CG 4.29Å; P123-E244 WeakPolarHBondContact CB-OE1 3.41Å; P123-E244 VanDerWaalsContact CG-OE1 3.26Å; P123-E244 WeakPolarHBondContact CG-OE1 3.44Å; E244-D246 PolarHBondContact O-N 3.06Å; E244-E247 WeakPolarHBondContact O-CB 3.33Å; E244-E247 PolarHBondContact O-N 3.36Å; E244-T280 HydrophobicContact CB-CG2 4.12Å; E244-T280 HydrophobicContact CG-CG2 3.93Å; E244-N282 WeakPolarHBondContact OE1-CA 3.28Å
245S96.5Very high97.5Very high102 Ų10235.9 Ų35.971%0.71319%0.191SC*.G310 helixtrans-63.1-19.8174.856.70000114.1P243P243-S245 PolarHBondContact O-N 2.95Å
246D96.8Very high97.6Very high80 Ų8035.1 Ų35.143%0.42819%0.185SC..G310 helixtrans-101.210.7-175.2-58.85.2000110.8V242 P243 E244 I248V242-D246 HydrophobicContact CB-CB 4.03Å; V242-D246 HydrophobicContact CG2-CB 4.01Å; P243-D246 WeakPolarHBondContact CD-OD2 3.46Å; P243-D246 PolarHBondContact O-N 3.27Å; E244-D246 PolarHBondContact O-N 3.06Å; D246-I248 PolarHBondContact O-N 3.5Å
247E97.1Very high97.6Very high35 Ų3533.5 Ų33.516%0.16417%0.173CC..  trans-66.7128.3171.1-167.1179-119.900110.1L212 Q214 E244 T280L212-E247 VanDerWaalsContact CB-CD 3.49Å; L212-E247 HydrophobicContact CB-CG 3.8Å; L212-E247 WeakPolarHBondContact CB-OE2 3.29Å; L212-E247 WeakPolarHBondContact CD1-OE2 3.32Å; Q214-E247 HydrophobicContact CG-CB 3.98Å; Q214-E247 HydrophobicContact CG-CG 4.11Å; E244-E247 WeakPolarHBondContact O-CB 3.33Å; E244-E247 PolarHBondContact O-N 3.36Å; E247-T280 WeakPolarHBondContact OE1-CA 3.37Å; E247-T280 WeakPolarHBondContact OE1-CB 3.38Å; E247-T280 PolarHBondContact OE1-OG1 3.47Å; E247-T280 PolarHBondContact OE2-OG1 3.3Å
248I97.5Very high97.6Very high29 Ų2933.5 Ų33.515%0.14917%0.174CC..EExtended strand (participates in β ladder)trans-121.9155.7-178.764.1172.1000111.4L212 R213 F215 D246 Q252 A253 F298L212-I248 WeakPolarHBondContact CA-O 3.45Å; R213-I248 PolarHBondContact N-O 3.08Å; R213-I248 PolarHBondContact O-N 2.96Å; R213-I248 VanDerWaalsContact O-N 3.08Å; F215-I248 HydrophobicContact CD2-CD1 3.88Å; F215-I248 HydrophobicContact CD2-CG1 3.84Å; F215-I248 HydrophobicContact CE2-CD1 4.14Å; F215-I248 HydrophobicContact CE2-CG1 3.98Å; D246-I248 PolarHBondContact O-N 3.5Å; I248-Q252 HydrophobicContact CB-CB 4.28Å; I248-A253 HydrophobicContact CD1-CB 3.98Å; I248-F298 HydrophobicContact CD1-CD1 3.63Å; I248-F298 HydrophobicContact CD1-CD2 4.19Å; I248-F298 HydrophobicContact CD1-CE1 3.27Å; I248-F298 HydrophobicContact CD1-CE2 3.88Å; I248-F298 HydrophobicContact CD1-CG 4.08Å; I248-F298 HydrophobicContact CD1-CZ 3.41Å; I248-F298 VanDerWaalsContact CD1-CZ 3.41Å
249S97.4Very high97.5Very high16 Ų1641.1 Ų41.111%0.11221%0.207CC..EExtended strand (participates in β ladder)trans-75.4156.3173.366.20000112.5G209 P211 R251 Q252 A253G209-S249 WeakPolarHBondContact O-CB 3.18Å; P211-S249 CarbonylContact O-C 3.58Å; P211-S249 VanDerWaalsContact O-CA 3.27Å; P211-S249 WeakPolarHBondContact O-CA 3.46Å; S249-R251 PolarHBondContact O-N 3.43Å; S249-Q252 PolarHBondContact O-N 3.07Å; S249-Q252 VanDerWaalsContact O-N 3.16Å; S249-Q252 WeakPolarHBondContact OG-CG 3.35Å; S249-Q252 PolarHBondContact OG-N 3.3Å; S249-Q252 VanDerWaalsContact OG-N 3.13Å; S249-Q252 PolarHBondContact OG-OE1 3.01Å; S249-A253 PolarHBondContact O-N 3.21Å
250I96.5Very high97.4Very high13 Ų1341.9 Ų41.97%0.06721%0.213CC..Hα-helixtrans-59.3-32.4171.9-58-61.4000111.3V185 V205 G209 P211 R213 F215 A253 A254V185-I250 HydrophobicContact CG1-CD1 4.04Å; V185-I250 HydrophobicContact CG1-CG2 4.19Å; V205-I250 HydrophobicContact CG1-CG2 3.95Å; G209-I250 PolarHBondContact O-N 3.35Å; P211-I250 HydrophobicContact CB-CG1 4.08Å; P211-I250 WeakPolarHBondContact O-CG1 3.45Å; P211-I250 PolarHBondContact O-N 3.49Å; R213-I250 HydrophobicContact CG-CD1 3.86Å; F215-I250 HydrophobicContact CZ-CD1 4.27Å; I250-A253 PolarHBondContact O-N 3.04Å; I250-A254 WeakPolarHBondContact O-CB 3.41Å; I250-A254 PolarHBondContact O-N 3.3Å
251R97.6Very high97.3Very high108 Ų10842 Ų4241%0.40821%0.213SC..Hα-helixtrans-59.8-54.3171.6169.8177.1-65.2-101.4-1.4111.6G209 S249 A253 A254 E255 F268G209-R251 PolarHBondContact O-N 2.96Å; S249-R251 PolarHBondContact O-N 3.43Å; R251-A253 VanDerWaalsContact C-N 3.29Å; R251-A253 PolarHBondContact O-N 3.25Å; R251-A254 PolarHBondContact O-N 2.9Å; R251-A254 VanDerWaalsContact O-N 3.11Å; R251-E255 HydrophobicContact CG-CG 4.5Å; R251-E255 VanDerWaalsContact CG-OE1 3.24Å; R251-E255 WeakPolarHBondContact CG-OE1 3.38Å; R251-E255 WeakPolarHBondContact O-CG 3.24Å; R251-E255 PolarHBondContact O-N 3.38Å; R251-F268 HydrophobicContact CB-CE1 4.08Å; R251-F268 HydrophobicContact CB-CZ 3.84Å; R251-F268 HydrophobicContact CG-CZ 3.78Å; R251-F268 VanDerWaalsContact CZ-CE2 3.41Å; R251-F268 VanDerWaalsContact NH2-CE2 3.35Å
252Q97.7Very high97.2Very high90 Ų9047 Ų4742%0.42124%0.24SC..Hα-helixtrans-59.2-42.7178.5-74163.7-6000111.2I248 S249 A254 E255 V256I248-Q252 HydrophobicContact CB-CB 4.28Å; S249-Q252 PolarHBondContact O-N 3.07Å; S249-Q252 VanDerWaalsContact O-N 3.16Å; S249-Q252 WeakPolarHBondContact OG-CG 3.35Å; S249-Q252 PolarHBondContact OG-N 3.3Å; S249-Q252 VanDerWaalsContact OG-N 3.13Å; S249-Q252 PolarHBondContact OG-OE1 3.01Å; Q252-A254 VanDerWaalsContact C-N 3.34Å; Q252-A254 PolarHBondContact O-N 3.11Å; Q252-E255 PolarHBondContact O-N 2.88Å; Q252-V256 WeakPolarHBondContact O-CG2 3.3Å; Q252-V256 PolarHBondContact O-N 2.82Å; Q252-V256 VanDerWaalsContact O-N 3.08Å
253A97.9Very high96.9Very high0 Ų046.6 Ų46.60%024%0.238CC..Hα-helixtrans-58.8-44.3174.800000112.3L186 F215 I248 S249 I250 R251 V256 V257 F298L186-A253 HydrophobicContact CD2-CB 3.99Å; F215-A253 HydrophobicContact CE2-CB 4.07Å; I248-A253 HydrophobicContact CD1-CB 3.98Å; S249-A253 PolarHBondContact O-N 3.21Å; I250-A253 PolarHBondContact O-N 3.04Å; R251-A253 VanDerWaalsContact C-N 3.29Å; R251-A253 PolarHBondContact O-N 3.25Å; A253-V256 PolarHBondContact O-N 2.89Å; A253-V257 WeakPolarHBondContact O-CG2 3.43Å; A253-V257 PolarHBondContact O-N 3.2Å; A253-F298 HydrophobicContact CB-CZ 4.19Å
254A97.7Very high96.2Very high0 Ų051.4 Ų51.40%027%0.27CS..Hα-helixtrans-66.7-37.6177.500000112.8L189 V205 I250 R251 Q252 V257 A258 L266L189-A254 HydrophobicContact CD1-CB 4.13Å; L189-A254 HydrophobicContact CD2-CB 4.4Å; V205-A254 HydrophobicContact CG2-CB 3.55Å; I250-A254 WeakPolarHBondContact O-CB 3.41Å; I250-A254 PolarHBondContact O-N 3.3Å; R251-A254 PolarHBondContact O-N 2.9Å; R251-A254 VanDerWaalsContact O-N 3.11Å; Q252-A254 VanDerWaalsContact C-N 3.34Å; Q252-A254 PolarHBondContact O-N 3.11Å; A254-V257 PolarHBondContact O-N 2.73Å; A254-A258 VanDerWaalsContact O-CB 3.26Å; A254-A258 WeakPolarHBondContact O-CB 3.43Å; A254-A258 PolarHBondContact O-N 2.79Å; A254-L266 HydrophobicContact CB-CD2 3.84Å
255E97.7Very high96Very high91 Ų9153.3 Ų53.343%0.42528%0.278SS..Hα-helixtrans-61.8-43.7175.8-72.8164.3179.200111.3R251 Q252 A258 K259 L266R251-E255 HydrophobicContact CG-CG 4.5Å; R251-E255 VanDerWaalsContact CG-OE1 3.24Å; R251-E255 WeakPolarHBondContact CG-OE1 3.38Å; R251-E255 WeakPolarHBondContact O-CG 3.24Å; R251-E255 PolarHBondContact O-N 3.38Å; Q252-E255 PolarHBondContact O-N 2.88Å; E255-A258 PolarHBondContact O-N 3.36Å; E255-K259 WeakPolarHBondContact O-CB 3.24Å; E255-K259 PolarHBondContact O-N 3.34Å; E255-L266 HydrophobicContact CG-CD2 3.92Å
256V97.8Very high96Very high24 Ų2450.9 Ų50.915%0.14526%0.257CS..Hα-helixtrans-64.9-43.6175.9176.50000111.2Q252 A253 K259 A260 F298 E299 I302Q252-V256 WeakPolarHBondContact O-CG2 3.3Å; Q252-V256 PolarHBondContact O-N 2.82Å; Q252-V256 VanDerWaalsContact O-N 3.08Å; A253-V256 PolarHBondContact O-N 2.89Å; V256-K259 PolarHBondContact O-N 3.21Å; V256-A260 WeakPolarHBondContact O-CB 3.4Å; V256-A260 PolarHBondContact O-N 3.03Å; V256-F298 HydrophobicContact CB-CD1 4.49Å; V256-F298 HydrophobicContact CB-CE1 3.99Å; V256-F298 HydrophobicContact CG1-CD1 4.24Å; V256-F298 HydrophobicContact CG1-CE1 4.02Å; V256-F298 HydrophobicContact CG2-CD1 4.24Å; V256-F298 HydrophobicContact CG2-CE1 4.07Å; V256-E299 HydrophobicContact CG1-CB 4.22Å; V256-E299 HydrophobicContact CG1-CG 3.98Å; V256-E299 HydrophobicContact CG2-CG 4.06Å; V256-I302 HydrophobicContact CG1-CB 3.86Å; V256-I302 HydrophobicContact CG1-CG1 3.94Å; V256-I302 HydrophobicContact CG1-CG2 3.92Å
257V98.2Very high96Very high0 Ų049.8 Ų49.80%025%0.253CS..Hα-helixtrans-63.3-46176170.10000111.4L186 L189 I190 A193 A253 A254 K259 A260 M261 I302L186-V257 HydrophobicContact CD2-CG2 4.11Å; L189-V257 HydrophobicContact CB-CG1 4.26Å; I190-V257 HydrophobicContact CG1-CG1 3.94Å; I190-V257 HydrophobicContact CG1-CG2 4.12Å; A193-V257 HydrophobicContact CB-CG1 3.91Å; A253-V257 WeakPolarHBondContact O-CG2 3.43Å; A253-V257 PolarHBondContact O-N 3.2Å; A254-V257 PolarHBondContact O-N 2.73Å; V257-K259 VanDerWaalsContact C-N 3.34Å; V257-K259 PolarHBondContact O-N 2.83Å; V257-A260 PolarHBondContact O-N 3.37Å; V257-M261 HydrophobicContact CG1-CG 4.36Å; V257-M261 WeakPolarHBondContact O-CB 3.36Å; V257-M261 WeakPolarHBondContact O-CG 3.37Å; V257-M261 PolarHBondContact O-N 2.97Å; V257-I302 HydrophobicContact CG2-CD1 4.07Å; V257-I302 HydrophobicContact CG2-CG2 3.98Å
258A96.9Very high96Very high2 Ų249.9 Ų49.92%0.01725%0.253CS..Hα-helixtrans-59.6-45.3178.900000111.1L203 A254 E255 M261 D262 C263 L266L203-A258 HydrophobicContact CD2-CB 4.04Å; A254-A258 VanDerWaalsContact O-CB 3.26Å; A254-A258 WeakPolarHBondContact O-CB 3.43Å; A254-A258 PolarHBondContact O-N 2.79Å; E255-A258 PolarHBondContact O-N 3.36Å; A258-M261 CarbonylContact O-C 3.58Å; A258-M261 PolarHBondContact O-N 2.81Å; A258-D262 PolarHBondContact O-N 3.48Å; A258-C263 HydrophobicContact CB-CB 4.26Å; A258-C263 PolarHBondContact O-N 3.03Å; A258-L266 HydrophobicContact CB-CD1 3.52Å; A258-L266 HydrophobicContact CB-CD2 4.35Å; A258-L266 HydrophobicContact CB-CG 4.08Å
259K96.9Very high95.9Very high160 Ų16050.5 Ų50.570%0.69626%0.257SS*.Hα-helixtrans-59.4-49.6173.7-176.9-175.6175.1-170.30111.7E255 V256 V257 M261 D262E255-K259 WeakPolarHBondContact O-CB 3.24Å; E255-K259 PolarHBondContact O-N 3.34Å; V256-K259 PolarHBondContact O-N 3.21Å; V257-K259 VanDerWaalsContact C-N 3.34Å; V257-K259 PolarHBondContact O-N 2.83Å; K259-M261 PolarHBondContact O-N 3.35Å; K259-D262 PolarHBondContact O-N 3.41Å
260A97.4Very high95.7Very high16 Ų1656.1 Ų56.113%0.13228%0.284CS..Hα-helixtrans-66.7-20.9-178.300000114V256 V257 I302 E303 C306 R310V256-A260 WeakPolarHBondContact O-CB 3.4Å; V256-A260 PolarHBondContact O-N 3.03Å; V257-A260 PolarHBondContact O-N 3.37Å; A260-I302 HydrophobicContact CB-CG2 3.85Å; A260-E303 HydrophobicContact CB-CG 4.29Å; A260-C306 HydrophobicContact CB-CB 4.27Å; A260-R310 PolarHBondContact O-NH1 3.44Å
261M96.4Very high95.5Very high2 Ų261.1 Ų61.11%0.0132%0.316CS..Hα-helixtrans-103.4-0.5179.2-67-64.6-75.400113.5I190 A193 Y194 K197 V257 A258 K259 C306 F309 R310I190-M261 HydrophobicContact CG2-SD 4.49Å; A193-M261 HydrophobicContact CB-CB 3.82Å; A193-M261 HydrophobicContact CB-CG 3.92Å; Y194-M261 VanDerWaalsContact CB-CE 3.46Å; Y194-M261 HydrophobicContact CD2-CE 3.85Å; Y194-M261 HydrophobicContact CG-CE 4.15Å; K197-M261 WeakPolarHBondContact CD-O 3.46Å; K197-M261 PolarHBondContact NZ-O 2.92Å; V257-M261 HydrophobicContact CG1-CG 4.36Å; V257-M261 WeakPolarHBondContact O-CB 3.36Å; V257-M261 WeakPolarHBondContact O-CG 3.37Å; V257-M261 PolarHBondContact O-N 2.97Å; A258-M261 CarbonylContact O-C 3.58Å; A258-M261 PolarHBondContact O-N 2.81Å; K259-M261 PolarHBondContact O-N 3.35Å; M261-C306 HydrophobicContact CG-CB 4.32Å; M261-C306 HydrophobicContact SD-CB 3.59Å; M261-C306 VanDerWaalsContact SD-CB 3.59Å; M261-F309 HydrophobicContact CE-CD1 4.32Å; M261-R310 HydrophobicContact CE-CG 4.39Å; M261-R310 HydrophobicContact SD-CG 4.5Å; M261-R310 PolarHBondContact SD-NH1 2.85Å
262D95.1Very high95.1Very high105 Ų10560.5 Ų60.556%0.56132%0.316SS*.THydrogen-bonded Turntrans54.843.3-172.5-39.7-63.7000114K197 A258 K259K197-D262 HydrophobicContact CD-CB 4.12Å; K197-D262 IonicContact NZ-OD2 2.67Å; K197-D262 PolarHBondContact NZ-OD2 3.13Å; A258-D262 PolarHBondContact O-N 3.48Å; K259-D262 PolarHBondContact O-N 3.41Å
263C92.2Very high94.5Very high7 Ų760.7 Ų60.75%0.04733%0.333CS..  trans-93.5119.6171.6-170.50000109.5A258A258-C263 HydrophobicContact CB-CB 4.26Å; A258-C263 PolarHBondContact O-N 3.03Å
264P82.9Confident93.8Very high128 Ų12863.8 Ų63.883%0.83135%0.35SS*.  trans-79.9-21.7-167.330.3-35.9000114.6
265E92.4Very high93Very high112 Ų11266.3 Ų66.352%0.52338%0.376SS..  trans-131.9138.2-172.1-173178.5-178.700111.1P202 L203 V267P202-E265 WeakPolarHBondContact CA-O 3.46Å; P202-E265 HydrophobicContact CB-CB 3.91Å; P202-E265 HydrophobicContact CB-CG 3.83Å; L203-E265 PolarHBondContact N-O 2.96Å; E265-V267 HydrophobicContact CG-CG2 4.44Å
266L95.2Very high92.2Very high50 Ų5064.1 Ų64.126%0.26237%0.365SS..EExtended strand (participates in β ladder)trans-116.3131.3174-73.380.5000109.9A254 E255 A258A254-L266 HydrophobicContact CB-CD2 3.84Å; E255-L266 HydrophobicContact CG-CD2 3.92Å; A258-L266 HydrophobicContact CB-CD1 3.52Å; A258-L266 HydrophobicContact CB-CD2 4.35Å; A258-L266 HydrophobicContact CB-CG 4.08Å
267V97.1Very high91.6Very high57 Ų5768.8 Ų68.835%0.34538%0.384SS..EExtended strand (participates in β ladder)trans-123.1138.4174.9174.90000109.4P202 L203 T204 V205 E265P202-V267 HydrophobicContact CB-CB 4.41Å; P202-V267 HydrophobicContact CB-CG2 3.71Å; P202-V267 HydrophobicContact CG-CG2 3.93Å; L203-V267 PolarHBondContact O-N 2.9Å; T204-V267 CarbonylContact C-O 3.58Å; T204-V267 WeakPolarHBondContact CA-O 3.33Å; V205-V267 PolarHBondContact N-O 3.18Å; E265-V267 HydrophobicContact CG-CG2 4.44Å
268F96.5Very high91.2Very high38 Ų3872.3 Ų72.317%0.16740%0.399CS..EExtended strand (participates in β ladder)trans-105.1114.8178.8-69.2-90.1000110.2V205 G207 R251 I270V205-F268 HydrophobicContact CB-CD1 3.84Å; V205-F268 HydrophobicContact CB-CE1 3.88Å; V205-F268 HydrophobicContact CG1-CD1 4.01Å; V205-F268 HydrophobicContact CG1-CE1 3.86Å; V205-F268 HydrophobicContact CG2-CE1 4.19Å; V205-F268 WeakPolarHBondContact O-CA 3.26Å; G207-F268 WeakPolarHBondContact O-CD1 3.31Å; R251-F268 HydrophobicContact CB-CE1 4.08Å; R251-F268 HydrophobicContact CB-CZ 3.84Å; R251-F268 HydrophobicContact CG-CZ 3.78Å; R251-F268 VanDerWaalsContact CZ-CE2 3.41Å; R251-F268 VanDerWaalsContact NH2-CE2 3.35Å; F268-I270 PolarHBondContact O-N 3.11Å
269D95.6Very high90.8Very high41 Ų4174.8 Ų74.822%0.21941%0.409CS..EExtended strand (participates in β ladder)trans-83.889.3174.2-179.94.8000109.9T204 V205 G207 T271 K272T204-D269 HydrophobicContact CG2-CB 3.89Å; V205-D269 PolarHBondContact O-N 2.81Å; G207-D269 PolarHBondContact N-O 3.35Å; D269-T271 PolarHBondContact O-N 3.05Å; D269-T271 VanDerWaalsContact OD1-CB 3.27Å; D269-T271 WeakPolarHBondContact OD1-CB 3.36Å; D269-T271 WeakPolarHBondContact OD1-CG2 3.36Å; D269-T271 PolarHBondContact OD1-N 3.45Å; D269-T271 PolarHBondContact OD1-OG1 2.81Å; D269-T271 PolarHBondContact OD2-OG1 3.49Å; D269-K272 HydrophobicContact CB-CG 4.48Å; D269-K272 PolarHBondContact O-N 2.76Å; D269-K272 WeakPolarHBondContact OD2-CG 3.46Å
270I93.8Very high90.8Very high134 Ų13467.8 Ų67.869%0.68738%0.38SS*.THydrogen-bonded Turntrans-72.1-1.6178.965.4170.3000113.7F268F268-I270 PolarHBondContact O-N 3.11Å
271T93.4Very high90.8Very high119 Ų11967 Ų6773%0.7337%0.374SS*.THydrogen-bonded Turntrans-76.4-17.2171.4770000111.8D269D269-T271 PolarHBondContact O-N 3.05Å; D269-T271 VanDerWaalsContact OD1-CB 3.27Å; D269-T271 WeakPolarHBondContact OD1-CB 3.36Å; D269-T271 WeakPolarHBondContact OD1-CG2 3.36Å; D269-T271 PolarHBondContact OD1-N 3.45Å; D269-T271 PolarHBondContact OD1-OG1 2.81Å; D269-T271 PolarHBondContact OD2-OG1 3.49Å
272K88.7Confident90.8Very high94 Ų9468.5 Ų68.541%0.40938%0.382SS..SBendtrans-91.9147.6174.9-57.3-67.6-175.6-179.20110.8W206 D269W206-K272 HydrophobicContact CB-CB 3.75Å; W206-K272 HydrophobicContact CB-CG 3.96Å; W206-K272 HydrophobicContact CD2-CD 4.4Å; W206-K272 HydrophobicContact CD2-CG 4.09Å; W206-K272 HydrophobicContact CG-CB 4.11Å; W206-K272 HydrophobicContact CG-CG 3.74Å; D269-K272 HydrophobicContact CB-CG 4.48Å; D269-K272 PolarHBondContact O-N 2.76Å; D269-K272 WeakPolarHBondContact OD2-CG 3.46Å
273A84.2Confident90.9Very high95 Ų9563.7 Ų63.779%0.78536%0.357SS*.  trans-72.8144-178.200000112.9
274D84.4Confident91.2Very high65 Ų6566.9 Ų66.935%0.34838%0.379SS..  trans-72.7-25177.5-84.78000114G207 S208 P211G207-D274 WeakPolarHBondContact CA-OD1 3.45Å; S208-D274 WeakPolarHBondContact CB-OD2 3.33Å; S208-D274 PolarHBondContact N-OD1 2.87Å; S208-D274 PolarHBondContact OG-OD1 3.19Å; S208-D274 PolarHBondContact OG-OD2 3.41Å; P211-D274 HydrophobicContact CG-CB 3.68Å; P211-D274 WeakPolarHBondContact CG-O 3.42Å
275G80.4Confident91.9Very high53 Ų5363.2 Ų63.255%0.54635%0.35SS..  trans71.6-162.6-165.600000112.4
276Q80.3Confident92.1Very high45 Ų4557.9 Ų57.921%0.2133%0.325CS..  trans-62.7137.6179.1-76.5179.9-18.600111.5D118 R213D118-Q276 PolarHBondContact OD1-NE2 3.23Å; R213-Q276 VanDerWaalsContact CZ-O 3.26Å; R213-Q276 PolarHBondContact NH1-O 3.35Å; R213-Q276 PolarHBondContact NH2-O 3.42Å
277F85.9Confident92.2Very high122 Ų12258.8 Ų58.854%0.53533%0.325SS..SBendtrans-63.2-46.9-176.5-177.5-108.2000112.5K210 P211 L212 R213K210-F277 HydrophobicContact CB-CE2 4.29Å; P211-F277 CarbonylContact C-O 3.54Å; P211-F277 VanDerWaalsContact CA-O 3.27Å; P211-F277 WeakPolarHBondContact CA-O 3.39Å; L212-F277 HydrophobicContact CD1-CE1 4.4Å; L212-F277 HydrophobicContact CD1-CZ 4.45Å; L212-F277 HydrophobicContact CG-CZ 4.49Å; L212-F277 PolarHBondContact N-O 2.97Å; R213-F277 PolarHBondContact NH1-O 2.94Å
278K88.5Confident92.3Very high74 Ų7463.8 Ų63.832%0.32235%0.345SS..  trans-144.9158.2178.367.7-177.1-173.9170.80112.7Y122 L212Y122-K278 HydrophobicContact CD1-CG 4.47Å; Y122-K278 HydrophobicContact CD2-CD 4.36Å; Y122-K278 HydrophobicContact CD2-CG 4.34Å; Y122-K278 HydrophobicContact CE1-CG 4.29Å; Y122-K278 HydrophobicContact CE2-CG 4.11Å; Y122-K278 HydrophobicContact CG-CD 4.41Å; Y122-K278 HydrophobicContact CG-CG 4.48Å; Y122-K278 PolarHBondContact OH-O 2.9Å; L212-K278 HydrophobicContact CB-CB 4.36Å
279K89.9Confident92.3Very high53 Ų5366 Ų6623%0.2336%0.358CS..  trans-138.334.8175.4-71.2-174.4172.8-178.20111A281K279-A281 PolarHBondContact O-N 2.91Å; K279-A281 VanDerWaalsContact O-N 3.13Å
280T95.9Very high92.4Very high13 Ų1366.8 Ų66.88%0.0836%0.358CS..  trans-55.9115.4-169.7-41.90000110.9P123 I124 E244 E247P123-T280 CarbonylContact C-O 3.6Å; P123-T280 WeakPolarHBondContact CA-O 3.46Å; P123-T280 HydrophobicContact CB-CG2 4.33Å; I124-T280 WeakPolarHBondContact CG1-O 3.31Å; I124-T280 PolarHBondContact N-O 3.27Å; E244-T280 HydrophobicContact CB-CG2 4.12Å; E244-T280 HydrophobicContact CG-CG2 3.93Å; E247-T280 WeakPolarHBondContact OE1-CA 3.37Å; E247-T280 WeakPolarHBondContact OE1-CB 3.38Å; E247-T280 PolarHBondContact OE1-OG1 3.47Å; E247-T280 PolarHBondContact OE2-OG1 3.3Å
281A97.5Very high92.6Very high0 Ų064.2 Ų64.20%035%0.35CS..BIsolated β-bridgetrans-105.1137.5-17800000111.2T113 I124 T169 Q214 I239 K279T113-A281 HydrophobicContact CG2-CB 4.34Å; I124-A281 HydrophobicContact CD1-CB 4.46Å; I124-A281 HydrophobicContact CG1-CB 4.02Å; I124-A281 WeakPolarHBondContact O-CA 3.48Å; T169-A281 HydrophobicContact CG2-CB 3.95Å; Q214-A281 PolarHBondContact NE2-O 3.16Å; Q214-A281 PolarHBondContact OE1-O 3.19Å; I239-A281 HydrophobicContact CD1-CB 4.35Å; I239-A281 HydrophobicContact CG2-CB 4.03Å; K279-A281 PolarHBondContact O-N 2.91Å; K279-A281 VanDerWaalsContact O-N 3.13Å
282N97.7Very high92.6Very high33 Ų3365 Ų6518%0.17635%0.35CS..  trans-81.2117.2-177.5-172.4-21.8000110.4P123 I124 D125 E244 S284P123-N282 HydrophobicContact CB-CB 3.98Å; P123-N282 HydrophobicContact CG-CB 4.09Å; I124-N282 WeakPolarHBondContact O-CB 3.42Å; I124-N282 PolarHBondContact O-N 3.4Å; D125-N282 HydrophobicContact CB-CB 4.17Å; E244-N282 WeakPolarHBondContact OE1-CA 3.28Å; N282-S284 WeakPolarHBondContact OD1-CA 3.41Å; N282-S284 WeakPolarHBondContact OD1-CB 3.37Å; N282-S284 PolarHBondContact OD1-N 2.98Å; N282-S284 PolarHBondContact OD1-OG 3.48Å
283A96.6Very high93Very high4 Ų460.9 Ų60.93%0.03333%0.332CS..  trans-94.79.5178.400000113.7K285 L286 R287A283-K285 VanDerWaalsContact C-N 3.34Å; A283-K285 PolarHBondContact O-N 3.44Å; A283-L286 PolarHBondContact O-N 3.49Å; A283-R287 WeakPolarHBondContact O-CG 3.28Å; A283-R287 PolarHBondContact O-N 2.88Å
284S97.3Very high93.6Very high75 Ų7565.3 Ų65.352%0.52433%0.334SS..Hα-helixtrans-58.3-39.9-176.1-69.90000113.1N282 L286 R287 Q288N282-S284 WeakPolarHBondContact OD1-CA 3.41Å; N282-S284 WeakPolarHBondContact OD1-CB 3.37Å; N282-S284 PolarHBondContact OD1-N 2.98Å; N282-S284 PolarHBondContact OD1-OG 3.48Å; S284-L286 PolarHBondContact O-N 3.48Å; S284-R287 PolarHBondContact O-N 2.81Å; S284-Q288 WeakPolarHBondContact O-CB 3.26Å; S284-Q288 PolarHBondContact O-N 3.48Å
285K98Very high94.2Very high51 Ų5163.6 Ų63.622%0.22232%0.323CS..Hα-helixtrans-60-47.9177.5-172.4-175.9-70.2-174.60111.2E126 S236 P237 I238 A283 Q288 L289E126-K285 WeakPolarHBondContact OE1-CB 3.44Å; E126-K285 WeakPolarHBondContact OE2-CE 3.43Å; E126-K285 IonicContact OE2-NZ 2.74Å; S236-K285 PolarHBondContact OG-NZ 2.58Å; P237-K285 PolarHBondContact O-NZ 3.34Å; I238-K285 HydrophobicContact CB-CD 4.3Å; I238-K285 HydrophobicContact CD1-CD 4.34Å; I238-K285 HydrophobicContact CD1-CG 4.31Å; I238-K285 HydrophobicContact CG1-CD 4.02Å; I238-K285 HydrophobicContact CG1-CG 4.3Å; A283-K285 VanDerWaalsContact C-N 3.34Å; A283-K285 PolarHBondContact O-N 3.44Å; K285-Q288 PolarHBondContact O-N 2.76Å; K285-L289 HydrophobicContact CG-CD1 4.09Å; K285-L289 WeakPolarHBondContact O-CG 3.4Å; K285-L289 PolarHBondContact O-N 3.15Å
286L98.1Very high95Very high0 Ų062.7 Ų62.70%031%0.307CS..Hα-helixtrans-59.9-47.1174.2171.861.8000111.4L224 W227 I238 L240 A283 S284 Q288 L289 Y290 F295L224-L286 HydrophobicContact CD1-CD2 3.93Å; L224-L286 HydrophobicContact CD2-CD1 3.87Å; L224-L286 HydrophobicContact CD2-CD2 4.25Å; W227-L286 HydrophobicContact CH2-CD1 4.46Å; W227-L286 HydrophobicContact CZ3-CD1 4.1Å; I238-L286 HydrophobicContact CD1-CB 4.41Å; L240-L286 HydrophobicContact CD2-CD1 4.18Å; L240-L286 HydrophobicContact CD2-CD2 4.25Å; A283-L286 PolarHBondContact O-N 3.49Å; S284-L286 PolarHBondContact O-N 3.48Å; L286-Q288 VanDerWaalsContact C-N 3.31Å; L286-Q288 PolarHBondContact O-N 3.49Å; L286-L289 PolarHBondContact O-N 2.95Å; L286-Y290 PolarHBondContact O-N 3.11Å; L286-F295 HydrophobicContact CD2-CZ 4.07Å
287R97.3Very high95.8Very high69 Ų6964 Ų6426%0.2632%0.319SS..Hα-helixtrans-65.6-31.4-178.3-69.9-57.6-169.3-178.45113.7A283 S284 P291 F293 F295A283-R287 WeakPolarHBondContact O-CG 3.28Å; A283-R287 PolarHBondContact O-N 2.88Å; S284-R287 PolarHBondContact O-N 2.81Å; R287-P291 WeakPolarHBondContact O-CA 3.43Å; R287-P291 WeakPolarHBondContact O-CB 3.33Å; R287-F293 PolarHBondContact NH1-O 2.93Å; R287-F295 VanDerWaalsContact NH2-CD2 3.3Å; R287-F295 VanDerWaalsContact NH2-CE2 3.29Å
288Q97.6Very high96.4Very high162 Ų16259.9 Ų59.976%0.75730%0.301SS*.Hα-helixtrans-69.6-40.1173.9-177.8-179.6-9.800111.8S284 K285 L286S284-Q288 WeakPolarHBondContact O-CB 3.26Å; S284-Q288 PolarHBondContact O-N 3.48Å; K285-Q288 PolarHBondContact O-N 2.76Å; L286-Q288 VanDerWaalsContact C-N 3.31Å; L286-Q288 PolarHBondContact O-N 3.49Å
289L97.9Very high96.8Very high85 Ų8561.2 Ų61.245%0.44531%0.309SS..Hα-helixtrans-85.7-26.5-175.3-64.3172000113.4W227 Y232 I238 K285 L286W227-L289 HydrophobicContact CH2-CB 3.71Å; W227-L289 HydrophobicContact CH2-CD1 4.24Å; W227-L289 HydrophobicContact CZ2-CB 3.82Å; Y232-L289 HydrophobicContact CD2-CD1 3.82Å; Y232-L289 HydrophobicContact CE2-CD1 3.68Å; I238-L289 HydrophobicContact CD1-CD1 4.1Å; K285-L289 HydrophobicContact CG-CD1 4.09Å; K285-L289 WeakPolarHBondContact O-CG 3.4Å; K285-L289 PolarHBondContact O-N 3.15Å; L286-L289 PolarHBondContact O-N 2.95Å
290Y97.4Very high97.2Very high57 Ų5762.2 Ų62.222%0.22431%0.314CS..  trans-141.165.4179.5-161.1-179.5000111.5H223 L224 W227 L286 D292 F293H223-Y290 PolarHBondContact NE2-OH 3.34Å; L224-Y290 HydrophobicContact CD2-CD1 4.21Å; W227-Y290 HydrophobicContact CB-CD1 4.33Å; W227-Y290 HydrophobicContact CB-CE1 4.07Å; W227-Y290 AromaticContact CD1-CD1 3.49Å; W227-Y290 VanDerWaalsContact CD1-CD1 3.49Å; W227-Y290 AromaticContact CD1-CE1 3.5Å; W227-Y290 VanDerWaalsContact CD1-CE1 3.5Å; W227-Y290 AromaticContact CD2-CD1 3.71Å; W227-Y290 HydrophobicContact CD2-CD1 3.71Å; W227-Y290 HydrophobicContact CD2-CE1 4.31Å; W227-Y290 HydrophobicContact CD2-CG 4.46Å; W227-Y290 AromaticContact CE2-CD1 3.74Å; W227-Y290 HydrophobicContact CE3-CD1 4.47Å; W227-Y290 AromaticContact CG-CD1 3.59Å; W227-Y290 HydrophobicContact CG-CD1 3.59Å; W227-Y290 AromaticContact CG-CE1 3.69Å; W227-Y290 HydrophobicContact CG-CE1 3.69Å; W227-Y290 AromaticContact NE1-CD1 3.56Å; W227-Y290 AromaticContact NE1-CG 3.82Å; L286-Y290 PolarHBondContact O-N 3.11Å; Y290-D292 VanDerWaalsContact C-N 3.27Å; Y290-D292 PolarHBondContact O-N 2.83Å; Y290-F293 HydrophobicContact CD1-CB 3.88Å; Y290-F293 AromaticContact CD1-CD2 3.99Å; Y290-F293 HydrophobicContact CD1-CD2 3.99Å; Y290-F293 HydrophobicContact CD1-CG 4.29Å; Y290-F293 HydrophobicContact CD2-CB 4.08Å; Y290-F293 HydrophobicContact CE1-CB 4.07Å; Y290-F293 AromaticContact CE1-CD2 3.52Å; Y290-F293 HydrophobicContact CE1-CD2 3.52Å; Y290-F293 HydrophobicContact CE1-CE2 4.42Å; Y290-F293 HydrophobicContact CE1-CG 4.22Å; Y290-F293 HydrophobicContact CE2-CB 4.25Å; Y290-F293 HydrophobicContact CG-CB 3.9Å; Y290-F293 AromaticContact CZ-CD2 3.96Å; Y290-F293 PolarHBondContact O-N 3.37Å
291P96.6Very high97.3Very high80 Ų8061.6 Ų61.652%0.51931%0.31SS..THydrogen-bonded Turntrans-61.4-33.5-173.122.9-33.7000113.5R287 F293R287-P291 WeakPolarHBondContact O-CA 3.43Å; R287-P291 WeakPolarHBondContact O-CB 3.33Å; P291-F293 VanDerWaalsContact C-N 3.3Å; P291-F293 PolarHBondContact O-N 3.38Å
292D95.2Very high97.4Very high136 Ų13661.6 Ų61.673%0.72731%0.31SS*.THydrogen-bonded Turntrans-82.5-1.9-174.4-60.9-41.5000114.2Y290 K294Y290-D292 VanDerWaalsContact C-N 3.27Å; Y290-D292 PolarHBondContact O-N 2.83Å; D292-K294 PolarHBondContact O-N 3.35Å
293F96.1Very high97.4Very high7 Ų764.8 Ų64.83%0.03132%0.324CS..PPolyproline II helixtrans-64.9121.3178.6-174.1-91.6000111.2D220 H223 L224 R287 Y290 P291 F295D220-F293 HydrophobicContact CB-CE1 4.4Å; D220-F293 HydrophobicContact CB-CZ 4.11Å; H223-F293 HydrophobicContact CB-CE2 4.07Å; H223-F293 HydrophobicContact CB-CZ 4.47Å; H223-F293 AromaticContact CE1-CE2 3.86Å; H223-F293 AromaticContact CG-CE2 3.68Å; H223-F293 AromaticContact ND1-CE2 3.46Å; H223-F293 WeakPolarHBondContact ND1-CE2 3.37Å; L224-F293 HydrophobicContact CD1-CE1 4.02Å; L224-F293 HydrophobicContact CD1-CZ 4.15Å; L224-F293 HydrophobicContact CD2-CD1 3.91Å; L224-F293 HydrophobicContact CD2-CD2 3.59Å; L224-F293 HydrophobicContact CD2-CE1 3.91Å; L224-F293 HydrophobicContact CD2-CE2 3.56Å; L224-F293 HydrophobicContact CD2-CG 3.76Å; L224-F293 HydrophobicContact CD2-CZ 3.74Å; L224-F293 HydrophobicContact CG-CD1 4.43Å; L224-F293 HydrophobicContact CG-CD2 4.37Å; L224-F293 HydrophobicContact CG-CE1 3.93Å; L224-F293 HydrophobicContact CG-CE2 3.83Å; L224-F293 HydrophobicContact CG-CZ 3.61Å; R287-F293 PolarHBondContact NH1-O 2.93Å; Y290-F293 HydrophobicContact CD1-CB 3.88Å; Y290-F293 AromaticContact CD1-CD2 3.99Å; Y290-F293 HydrophobicContact CD1-CD2 3.99Å; Y290-F293 HydrophobicContact CD1-CG 4.29Å; Y290-F293 HydrophobicContact CD2-CB 4.08Å; Y290-F293 HydrophobicContact CE1-CB 4.07Å; Y290-F293 AromaticContact CE1-CD2 3.52Å; Y290-F293 HydrophobicContact CE1-CD2 3.52Å; Y290-F293 HydrophobicContact CE1-CE2 4.42Å; Y290-F293 HydrophobicContact CE1-CG 4.22Å; Y290-F293 HydrophobicContact CE2-CB 4.25Å; Y290-F293 HydrophobicContact CG-CB 3.9Å; Y290-F293 AromaticContact CZ-CD2 3.96Å; Y290-F293 PolarHBondContact O-N 3.37Å; P291-F293 VanDerWaalsContact C-N 3.3Å; P291-F293 PolarHBondContact O-N 3.38Å; F293-F295 HydrophobicContact CD1-CD1 4.3Å; F293-F295 AromaticContact CD1-CD2 3.85Å; F293-F295 HydrophobicContact CD1-CD2 3.85Å; F293-F295 HydrophobicContact CD1-CE1 4.14Å; F293-F295 AromaticContact CD1-CE2 3.67Å; F293-F295 HydrophobicContact CD1-CE2 3.67Å; F293-F295 HydrophobicContact CD1-CG 4.16Å; F293-F295 AromaticContact CD1-CZ 3.83Å; F293-F295 HydrophobicContact CD1-CZ 3.83Å; F293-F295 AromaticContact CE1-CD1 3.62Å; F293-F295 HydrophobicContact CE1-CD1 3.62Å; F293-F295 AromaticContact CE1-CD2 3.99Å; F293-F295 HydrophobicContact CE1-CD2 3.99Å; F293-F295 AromaticContact CE1-CE1 3.61Å; F293-F295 HydrophobicContact CE1-CE1 3.61Å; F293-F295 AromaticContact CE1-CE2 3.97Å; F293-F295 HydrophobicContact CE1-CE2 3.97Å; F293-F295 AromaticContact CE1-CG 3.81Å; F293-F295 HydrophobicContact CE1-CG 3.81Å; F293-F295 AromaticContact CE1-CZ 3.78Å; F293-F295 HydrophobicContact CE1-CZ 3.78Å
294K96Very high97.4Very high188 Ų18869.7 Ų69.782%0.81734%0.343SS*.PPolyproline II helixtrans-102.3119.3176.2-62.2-174.8-177.4-179.70109.7D292D292-K294 PolarHBondContact O-N 3.35Å
295F97.3Very high97.5Very high28 Ų2866.1 Ų66.112%0.12332%0.318CS..PPolyproline II helixtrans-72.4149.6171.2-69.2-89.8000110.2I216 D220 L224 S241 V242 L286 R287 F293I216-F295 HydrophobicContact CD1-CE1 3.89Å; I216-F295 HydrophobicContact CG1-CE1 4.19Å; D220-F295 HydrophobicContact CB-CD1 4.16Å; L224-F295 HydrophobicContact CD1-CE1 3.81Å; L224-F295 HydrophobicContact CD1-CZ 3.94Å; S241-F295 WeakPolarHBondContact O-CZ 3.45Å; V242-F295 HydrophobicContact CG1-CB 4.41Å; V242-F295 HydrophobicContact CG1-CD1 3.8Å; V242-F295 HydrophobicContact CG1-CD2 4.4Å; V242-F295 HydrophobicContact CG1-CE1 4.15Å; V242-F295 HydrophobicContact CG1-CG 3.95Å; L286-F295 HydrophobicContact CD2-CZ 4.07Å; R287-F295 VanDerWaalsContact NH2-CD2 3.3Å; R287-F295 VanDerWaalsContact NH2-CE2 3.29Å; F293-F295 HydrophobicContact CD1-CD1 4.3Å; F293-F295 AromaticContact CD1-CD2 3.85Å; F293-F295 HydrophobicContact CD1-CD2 3.85Å; F293-F295 HydrophobicContact CD1-CE1 4.14Å; F293-F295 AromaticContact CD1-CE2 3.67Å; F293-F295 HydrophobicContact CD1-CE2 3.67Å; F293-F295 HydrophobicContact CD1-CG 4.16Å; F293-F295 AromaticContact CD1-CZ 3.83Å; F293-F295 HydrophobicContact CD1-CZ 3.83Å; F293-F295 AromaticContact CE1-CD1 3.62Å; F293-F295 HydrophobicContact CE1-CD1 3.62Å; F293-F295 AromaticContact CE1-CD2 3.99Å; F293-F295 HydrophobicContact CE1-CD2 3.99Å; F293-F295 AromaticContact CE1-CE1 3.61Å; F293-F295 HydrophobicContact CE1-CE1 3.61Å; F293-F295 AromaticContact CE1-CE2 3.97Å; F293-F295 HydrophobicContact CE1-CE2 3.97Å; F293-F295 AromaticContact CE1-CG 3.81Å; F293-F295 HydrophobicContact CE1-CG 3.81Å; F293-F295 AromaticContact CE1-CZ 3.78Å; F293-F295 HydrophobicContact CE1-CZ 3.78Å
296T97Very high97.4Very high35 Ų3563.7 Ų63.722%0.21531%0.307CS..PPolyproline II helixtrans-63.7127.8168.2-58.50000108.3Y217 D220 F298 Q300 A301 Y304Y217-T296 HydrophobicContact CD1-CG2 4.29Å; D220-T296 PolarHBondContact OD1-OG1 3.5Å; D220-T296 WeakPolarHBondContact OD2-CB 3.37Å; D220-T296 PolarHBondContact OD2-N 3.26Å; D220-T296 PolarHBondContact OD2-OG1 2.98Å; T296-F298 PolarHBondContact O-N 3.45Å; T296-Q300 HydrophobicContact CG2-CB 4.23Å; T296-Q300 HydrophobicContact CG2-CG 4.24Å; T296-A301 HydrophobicContact CG2-CB 3.89Å; T296-Y304 HydrophobicContact CG2-CE2 4.46Å
297P97.8Very high97.4Very high71 Ų7168.9 Ų68.946%0.46133%0.33SS..PPolyproline II helixtrans-50.3137.5173.8-27.634.5000111.5E299 Q300 A301P297-E299 VanDerWaalsContact C-N 3.31Å; P297-E299 PolarHBondContact O-N 3.24Å; P297-Q300 HydrophobicContact CB-CB 4.22Å; P297-Q300 WeakPolarHBondContact O-CB 3.35Å; P297-Q300 PolarHBondContact O-N 3.07Å; P297-A301 PolarHBondContact O-N 3.31Å
298F98.3Very high97.4Very high37 Ų3767.2 Ų67.216%0.16232%0.323CS..Hα-helixtrans-56.8-44.7-170.9177.2-105.1000112.4F172 L186 F215 I248 A253 V256 T296 Q300 A301 I302F172-F298 HydrophobicContact CE1-CD2 4.14Å; F172-F298 AromaticContact CE1-CE2 3.99Å; F172-F298 HydrophobicContact CE1-CE2 3.99Å; F172-F298 AromaticContact CZ-CD2 3.98Å; F172-F298 HydrophobicContact CZ-CD2 3.98Å; F172-F298 AromaticContact CZ-CE2 3.92Å; F172-F298 HydrophobicContact CZ-CE2 3.92Å; L186-F298 HydrophobicContact CD1-CE2 4.03Å; L186-F298 HydrophobicContact CD1-CZ 4.29Å; L186-F298 HydrophobicContact CD2-CZ 4.25Å; F215-F298 HydrophobicContact CB-CD2 4.19Å; F215-F298 HydrophobicContact CB-CE2 3.81Å; F215-F298 AromaticContact CD2-CE2 3.95Å; F215-F298 HydrophobicContact CD2-CE2 3.95Å; F215-F298 HydrophobicContact CD2-CZ 4.32Å; F215-F298 HydrophobicContact CG-CE2 4.03Å; I248-F298 HydrophobicContact CD1-CD1 3.63Å; I248-F298 HydrophobicContact CD1-CD2 4.19Å; I248-F298 HydrophobicContact CD1-CE1 3.27Å; I248-F298 HydrophobicContact CD1-CE2 3.88Å; I248-F298 HydrophobicContact CD1-CG 4.08Å; I248-F298 HydrophobicContact CD1-CZ 3.41Å; I248-F298 VanDerWaalsContact CD1-CZ 3.41Å; A253-F298 HydrophobicContact CB-CZ 4.19Å; V256-F298 HydrophobicContact CB-CD1 4.49Å; V256-F298 HydrophobicContact CB-CE1 3.99Å; V256-F298 HydrophobicContact CG1-CD1 4.24Å; V256-F298 HydrophobicContact CG1-CE1 4.02Å; V256-F298 HydrophobicContact CG2-CD1 4.24Å; V256-F298 HydrophobicContact CG2-CE1 4.07Å; T296-F298 PolarHBondContact O-N 3.45Å; F298-Q300 VanDerWaalsContact C-N 3.35Å; F298-Q300 PolarHBondContact O-N 2.95Å; F298-A301 PolarHBondContact O-N 3.21Å; F298-I302 HydrophobicContact CD1-CG1 4.38Å; F298-I302 HydrophobicContact CD2-CG1 4.44Å; F298-I302 HydrophobicContact CE1-CG1 3.89Å; F298-I302 HydrophobicContact CE2-CD1 4.07Å; F298-I302 HydrophobicContact CE2-CG1 3.96Å; F298-I302 HydrophobicContact CZ-CD1 3.82Å; F298-I302 HydrophobicContact CZ-CG1 3.66Å; F298-I302 WeakPolarHBondContact O-CG1 3.44Å; F298-I302 PolarHBondContact O-N 3.05Å
299E98.1Very high97.4Very high102 Ų10259.5 Ų59.548%0.47729%0.287SS..Hα-helixtrans-59.2-44.8177.5-65.179.5-179.500111.9V256 P297 I302 E303V256-E299 HydrophobicContact CG1-CB 4.22Å; V256-E299 HydrophobicContact CG1-CG 3.98Å; V256-E299 HydrophobicContact CG2-CG 4.06Å; P297-E299 VanDerWaalsContact C-N 3.31Å; P297-E299 PolarHBondContact O-N 3.24Å; E299-I302 PolarHBondContact O-N 3.44Å; E299-E303 WeakPolarHBondContact O-CG 3.31Å; E299-E303 PolarHBondContact O-N 2.96Å
300Q98Very high97.4Very high74 Ų7460.2 Ų60.235%0.34628%0.284SS..Hα-helixtrans-66.4-40.9179.3-174.6176.714.400111.7T296 P297 F298 I302 E303 Y304T296-Q300 HydrophobicContact CG2-CB 4.23Å; T296-Q300 HydrophobicContact CG2-CG 4.24Å; P297-Q300 HydrophobicContact CB-CB 4.22Å; P297-Q300 WeakPolarHBondContact O-CB 3.35Å; P297-Q300 PolarHBondContact O-N 3.07Å; F298-Q300 VanDerWaalsContact C-N 3.35Å; F298-Q300 PolarHBondContact O-N 2.95Å; Q300-I302 VanDerWaalsContact C-N 3.34Å; Q300-I302 PolarHBondContact O-N 3.39Å; Q300-E303 PolarHBondContact O-N 3.01Å; Q300-Y304 HydrophobicContact CG-CD2 4.22Å; Q300-Y304 HydrophobicContact CG-CE1 4.37Å; Q300-Y304 HydrophobicContact CG-CE2 3.59Å; Q300-Y304 PolarHBondContact NE2-OH 3.28Å; Q300-Y304 WeakPolarHBondContact O-CD2 2.82Å; Q300-Y304 PolarHBondContact O-N 3.45Å
301A98.2Very high97.4Very high0 Ų063.6 Ų63.60%030%0.302CS..Hα-helixtrans-64.2-38175.300000112.1F172 Y217 T296 P297 F298 T305F172-A301 HydrophobicContact CE2-CB 3.85Å; F172-A301 HydrophobicContact CZ-CB 3.55Å; Y217-A301 HydrophobicContact CD1-CB 4.05Å; Y217-A301 HydrophobicContact CD2-CB 3.88Å; Y217-A301 HydrophobicContact CE2-CB 4.44Å; Y217-A301 HydrophobicContact CG-CB 3.68Å; T296-A301 HydrophobicContact CG2-CB 3.89Å; P297-A301 PolarHBondContact O-N 3.31Å; F298-A301 PolarHBondContact O-N 3.21Å; A301-T305 WeakPolarHBondContact O-CB 3.48Å; A301-T305 PolarHBondContact O-N 3.18Å; A301-T305 PolarHBondContact O-OG1 2.99Å
302I98.4Very high97.4Very high0 Ų062.1 Ų62.10%029%0.29CS..Hα-helixtrans-65.3-45.2172.9-68.3-69.2000110.6F172 L186 V256 V257 A260 F298 E299 Q300 Y304 T305 C306F172-I302 HydrophobicContact CD2-CD1 3.92Å; F172-I302 HydrophobicContact CE2-CD1 3.54Å; F172-I302 HydrophobicContact CE2-CG1 4.01Å; F172-I302 HydrophobicContact CZ-CD1 4.15Å; F172-I302 HydrophobicContact CZ-CG1 4.36Å; L186-I302 HydrophobicContact CD1-CD1 4.09Å; L186-I302 HydrophobicContact CD2-CD1 3.96Å; V256-I302 HydrophobicContact CG1-CB 3.86Å; V256-I302 HydrophobicContact CG1-CG1 3.94Å; V256-I302 HydrophobicContact CG1-CG2 3.92Å; V257-I302 HydrophobicContact CG2-CD1 4.07Å; V257-I302 HydrophobicContact CG2-CG2 3.98Å; A260-I302 HydrophobicContact CB-CG2 3.85Å; F298-I302 HydrophobicContact CD1-CG1 4.38Å; F298-I302 HydrophobicContact CD2-CG1 4.44Å; F298-I302 HydrophobicContact CE1-CG1 3.89Å; F298-I302 HydrophobicContact CE2-CD1 4.07Å; F298-I302 HydrophobicContact CE2-CG1 3.96Å; F298-I302 HydrophobicContact CZ-CD1 3.82Å; F298-I302 HydrophobicContact CZ-CG1 3.66Å; F298-I302 WeakPolarHBondContact O-CG1 3.44Å; F298-I302 PolarHBondContact O-N 3.05Å; E299-I302 PolarHBondContact O-N 3.44Å; Q300-I302 VanDerWaalsContact C-N 3.34Å; Q300-I302 PolarHBondContact O-N 3.39Å; I302-Y304 VanDerWaalsContact C-N 3.34Å; I302-Y304 PolarHBondContact O-N 3.35Å; I302-T305 PolarHBondContact O-N 3.46Å; I302-T305 VanDerWaalsContact O-N 3.16Å; I302-C306 VanDerWaalsContact O-CB 3.31Å; I302-C306 WeakPolarHBondContact O-CB 3.21Å; I302-C306 PolarHBondContact O-N 2.8Å; I302-C306 PolarHBondContact O-SG 2.99Å
303E97.9Very high97.4Very high99 Ų9958.5 Ų58.546%0.46327%0.266SS..Hα-helixtrans-56.8-45.8176.3-75.3174.1-176.200112.1A260 E299 Q300 T305 C306 K307A260-E303 HydrophobicContact CB-CG 4.29Å; E299-E303 WeakPolarHBondContact O-CG 3.31Å; E299-E303 PolarHBondContact O-N 2.96Å; Q300-E303 PolarHBondContact O-N 3.01Å; E303-T305 PolarHBondContact O-N 3.24Å; E303-C306 PolarHBondContact O-N 2.85Å; E303-K307 VanDerWaalsContact O-CB 3.28Å; E303-K307 WeakPolarHBondContact O-CB 3.42Å; E303-K307 PolarHBondContact O-N 2.86Å
304Y97.3Very high97.3Very high107 Ų10765.6 Ų65.642%0.4231%0.305SS..Hα-helixtrans-61.3-42.7175.4-66.4-27.8000112.7Y217 T296 Q300 I302 K307 W308Y217-Y304 HydrophobicContact CE1-CD2 4.39Å; T296-Y304 HydrophobicContact CG2-CE2 4.46Å; Q300-Y304 HydrophobicContact CG-CD2 4.22Å; Q300-Y304 HydrophobicContact CG-CE1 4.37Å; Q300-Y304 HydrophobicContact CG-CE2 3.59Å; Q300-Y304 PolarHBondContact NE2-OH 3.28Å; Q300-Y304 WeakPolarHBondContact O-CD2 2.82Å; Q300-Y304 PolarHBondContact O-N 3.45Å; I302-Y304 VanDerWaalsContact C-N 3.34Å; I302-Y304 PolarHBondContact O-N 3.35Å; Y304-K307 PolarHBondContact O-N 2.97Å; Y304-W308 WeakPolarHBondContact O-CB 3.39Å; Y304-W308 PolarHBondContact O-N 2.84Å
305T98.1Very high97.2Very high1 Ų161.6 Ų61.61%0.00630%0.296CS..Hα-helixtrans-68.1-44.9179.9-53.60000111.6G173 F178 I190 A301 I302 E303 W308 F309G173-T305 WeakPolarHBondContact CA-OG1 3.37Å; F178-T305 HydrophobicContact CE1-CG2 4.41Å; F178-T305 HydrophobicContact CZ-CG2 4.25Å; I190-T305 HydrophobicContact CD1-CG2 3.66Å; A301-T305 WeakPolarHBondContact O-CB 3.48Å; A301-T305 PolarHBondContact O-N 3.18Å; A301-T305 PolarHBondContact O-OG1 2.99Å; I302-T305 PolarHBondContact O-N 3.46Å; I302-T305 VanDerWaalsContact O-N 3.16Å; E303-T305 PolarHBondContact O-N 3.24Å; T305-W308 PolarHBondContact O-N 3.32Å; T305-F309 WeakPolarHBondContact O-CB 3.43Å; T305-F309 PolarHBondContact O-N 3.25Å
306C97.8Very high96.9Very high0 Ų061.6 Ų61.60%030%0.297CS..Hα-helixtrans-62.8-40.8176-73.80000111.9A260 M261 I302 E303 F309 R310A260-C306 HydrophobicContact CB-CB 4.27Å; M261-C306 HydrophobicContact CG-CB 4.32Å; M261-C306 HydrophobicContact SD-CB 3.59Å; M261-C306 VanDerWaalsContact SD-CB 3.59Å; I302-C306 VanDerWaalsContact O-CB 3.31Å; I302-C306 WeakPolarHBondContact O-CB 3.21Å; I302-C306 PolarHBondContact O-N 2.8Å; I302-C306 PolarHBondContact O-SG 2.99Å; E303-C306 PolarHBondContact O-N 2.85Å; C306-F309 PolarHBondContact O-N 3.49Å; C306-R310 WeakPolarHBondContact O-CG 3.43Å; C306-R310 PolarHBondContact O-N 2.85Å
307K97.4Very high96.5Very high108 Ų10865.4 Ų65.447%0.4731%0.308SS..Hα-helixtrans-60.9-52.2173.7-179.8-179.1173.4-177.40110.8E303 Y304 F309 R310 E311E303-K307 VanDerWaalsContact O-CB 3.28Å; E303-K307 WeakPolarHBondContact O-CB 3.42Å; E303-K307 PolarHBondContact O-N 2.86Å; Y304-K307 PolarHBondContact O-N 2.97Å; K307-F309 VanDerWaalsContact C-N 3.29Å; K307-F309 PolarHBondContact O-N 3.21Å; K307-R310 PolarHBondContact O-N 3.08Å; K307-E311 WeakPolarHBondContact CE-OE1 3.34Å; K307-E311 HydrophobicContact CG-CG 4.49Å; K307-E311 IonicContact NZ-OE1 3.84Å; K307-E311 WeakPolarHBondContact O-CG 3.46Å; K307-E311 PolarHBondContact O-N 3.45Å
308W97.6Very high95.7Very high34 Ų3466.5 Ų66.513%0.12932%0.316CS..Hα-helixtrans-56.7-44.5177.8179.890000111.7P174 F175 F178 Y304 T305 R310 E311 N312 I316P174-W308 HydrophobicContact CB-CB 4.26Å; P174-W308 HydrophobicContact CB-CD2 3.65Å; P174-W308 HydrophobicContact CB-CE3 4.25Å; P174-W308 HydrophobicContact CB-CG 3.6Å; P174-W308 HydrophobicContact CG-CB 3.99Å; P174-W308 HydrophobicContact CG-CD2 4.36Å; P174-W308 HydrophobicContact CG-CG 3.87Å; F175-W308 HydrophobicContact CB-CZ2 4.42Å; F175-W308 HydrophobicContact CD1-CH2 4.16Å; F175-W308 AromaticContact CD1-CZ2 3.46Å; F175-W308 HydrophobicContact CD1-CZ2 3.46Å; F175-W308 VanDerWaalsContact CD1-CZ2 3.46Å; F175-W308 HydrophobicContact CD2-CZ2 4.2Å; F175-W308 AromaticContact CE1-CZ2 3.64Å; F175-W308 HydrophobicContact CE1-CZ2 3.64Å; F175-W308 HydrophobicContact CE2-CZ2 4.35Å; F175-W308 AromaticContact CE2-NE1 3.82Å; F175-W308 HydrophobicContact CG-CH2 4.33Å; F175-W308 AromaticContact CG-CZ2 3.76Å; F175-W308 HydrophobicContact CG-CZ2 3.76Å; F175-W308 HydrophobicContact CZ-CZ2 4.1Å; F175-W308 AromaticContact CZ-NE1 3.72Å; F175-W308 VanDerWaalsContact N-CH2 3.27Å; F178-W308 HydrophobicContact CD2-CZ3 4.44Å; F178-W308 HydrophobicContact CE2-CE3 4.25Å; F178-W308 HydrophobicContact CE2-CH2 4.47Å; F178-W308 AromaticContact CE2-CZ3 3.56Å; F178-W308 HydrophobicContact CE2-CZ3 3.56Å; F178-W308 HydrophobicContact CZ-CE3 4.27Å; F178-W308 HydrophobicContact CZ-CZ3 4.03Å; Y304-W308 WeakPolarHBondContact O-CB 3.39Å; Y304-W308 PolarHBondContact O-N 2.84Å; T305-W308 PolarHBondContact O-N 3.32Å; W308-R310 PolarHBondContact O-N 2.97Å; W308-E311 PolarHBondContact O-N 3.33Å; W308-N312 HydrophobicContact CD2-CB 4.41Å; W308-N312 HydrophobicContact CH2-CB 4.25Å; W308-N312 HydrophobicContact CZ2-CB 4.02Å; W308-N312 PolarHBondContact NE1-ND2 3.05Å; W308-N312 WeakPolarHBondContact O-CB 2.92Å; W308-N312 PolarHBondContact O-N 3.07Å; W308-N312 PolarHBondContact O-ND2 3.44Å; W308-I316 HydrophobicContact CH2-CG2 4.46Å; W308-I316 HydrophobicContact CZ3-CG2 4.15Å
309F97.7Very high95.6Very high0 Ų068 Ų680%032%0.323CS..Hα-helixtrans-58-46.4177.9176.9-87.9000111.9F178 I190 H191 Y194 M261 T305 C306 K307 N312 Y313 I316F178-F309 HydrophobicContact CB-CD2 4.31Å; F178-F309 HydrophobicContact CB-CE2 3.79Å; F178-F309 AromaticContact CD1-CD2 3.35Å; F178-F309 HydrophobicContact CD1-CD2 3.35Å; F178-F309 AromaticContact CD1-CE2 3.59Å; F178-F309 HydrophobicContact CD1-CE2 3.59Å; F178-F309 HydrophobicContact CD1-CG 4.43Å; F178-F309 HydrophobicContact CD2-CD2 4.11Å; F178-F309 HydrophobicContact CD2-CE2 4.4Å; F178-F309 HydrophobicContact CE1-CB 4.41Å; F178-F309 AromaticContact CE1-CD2 3.57Å; F178-F309 HydrophobicContact CE1-CD2 3.57Å; F178-F309 HydrophobicContact CE1-CE2 4.28Å; F178-F309 HydrophobicContact CE1-CG 4.34Å; F178-F309 HydrophobicContact CE2-CD2 4.29Å; F178-F309 AromaticContact CG-CD2 3.66Å; F178-F309 HydrophobicContact CG-CD2 3.66Å; F178-F309 AromaticContact CG-CE2 3.67Å; F178-F309 HydrophobicContact CG-CE2 3.67Å; F178-F309 HydrophobicContact CZ-CD2 4.05Å; I190-F309 HydrophobicContact CG2-CB 4.02Å; I190-F309 HydrophobicContact CG2-CD1 3.98Å; I190-F309 HydrophobicContact CG2-CD2 4.06Å; I190-F309 HydrophobicContact CG2-CG 3.74Å; H191-F309 HydrophobicContact CB-CE2 4.22Å; H191-F309 HydrophobicContact CB-CZ 4.08Å; H191-F309 AromaticContact CD2-CZ 3.8Å; H191-F309 AromaticContact CG-CZ 3.98Å; Y194-F309 HydrophobicContact CD1-CE1 4.15Å; Y194-F309 HydrophobicContact CD2-CD1 4.35Å; Y194-F309 AromaticContact CD2-CE1 3.81Å; Y194-F309 HydrophobicContact CD2-CE1 3.81Å; Y194-F309 AromaticContact CG-CE1 3.59Å; Y194-F309 HydrophobicContact CG-CE1 3.59Å; Y194-F309 HydrophobicContact CG-CZ 4.39Å; M261-F309 HydrophobicContact CE-CD1 4.32Å; T305-F309 WeakPolarHBondContact O-CB 3.43Å; T305-F309 PolarHBondContact O-N 3.25Å; C306-F309 PolarHBondContact O-N 3.49Å; K307-F309 VanDerWaalsContact C-N 3.29Å; K307-F309 PolarHBondContact O-N 3.21Å; F309-N312 CarbonylContact O-C 3.59Å; F309-N312 PolarHBondContact O-N 3.18Å; F309-Y313 HydrophobicContact CD1-CD2 4.46Å; F309-Y313 AromaticContact CE1-CD2 3.59Å; F309-Y313 HydrophobicContact CE1-CD2 3.59Å; F309-Y313 AromaticContact CE1-CE2 4Å; F309-Y313 HydrophobicContact CE1-CE2 4Å; F309-Y313 HydrophobicContact CE2-CD2 4.41Å; F309-Y313 AromaticContact CZ-CD2 3.58Å; F309-Y313 HydrophobicContact CZ-CD2 3.58Å; F309-Y313 AromaticContact CZ-CE2 3.72Å; F309-Y313 HydrophobicContact CZ-CE2 3.72Å; F309-Y313 WeakPolarHBondContact O-CA 3.48Å; F309-Y313 PolarHBondContact O-N 2.67Å; F309-I316 HydrophobicContact CD2-CD1 4.42Å; F309-I316 HydrophobicContact CD2-CG2 3.99Å; F309-I316 HydrophobicContact CE2-CD1 3.52Å; F309-I316 HydrophobicContact CE2-CG2 4.12Å; F309-I316 HydrophobicContact CZ-CD1 3.9Å
310R96.7Very high95.5Very high100 Ų10066.2 Ų66.238%0.37732%0.315SS..Hα-helixtrans-64-42.3177.7-73-174.7-68-111.87.3112.5Y194 A260 M261 C306 K307 W308 N312Y194-R310 HydrophobicContact CD2-CG 4.41Å; Y194-R310 HydrophobicContact CE2-CG 4.49Å; A260-R310 PolarHBondContact O-NH1 3.44Å; M261-R310 HydrophobicContact CE-CG 4.39Å; M261-R310 HydrophobicContact SD-CG 4.5Å; M261-R310 PolarHBondContact SD-NH1 2.85Å; C306-R310 WeakPolarHBondContact O-CG 3.43Å; C306-R310 PolarHBondContact O-N 2.85Å; K307-R310 PolarHBondContact O-N 3.08Å; W308-R310 PolarHBondContact O-N 2.97Å; R310-N312 VanDerWaalsContact C-N 3.27Å; R310-N312 PolarHBondContact O-N 2.87Å
311E97Very high95.3Very high128 Ų12865.7 Ų65.760%0.59831%0.314SS*.Hα-helixtrans-71.6-21.8-178.9-70.3173.6167.800113K307 W308K307-E311 WeakPolarHBondContact CE-OE1 3.34Å; K307-E311 HydrophobicContact CG-CG 4.49Å; K307-E311 IonicContact NZ-OE1 3.84Å; K307-E311 WeakPolarHBondContact O-CG 3.46Å; K307-E311 PolarHBondContact O-N 3.45Å; W308-E311 PolarHBondContact O-N 3.33Å
312N97.1Very high95.2Very high50 Ų5069.6 Ų69.627%0.26733%0.332SS..THydrogen-bonded Turntrans-120.916.5-174.9-63-91.4000113.1W308 F309 R310 D314 T315 I316W308-N312 HydrophobicContact CD2-CB 4.41Å; W308-N312 HydrophobicContact CH2-CB 4.25Å; W308-N312 HydrophobicContact CZ2-CB 4.02Å; W308-N312 PolarHBondContact NE1-ND2 3.05Å; W308-N312 WeakPolarHBondContact O-CB 2.92Å; W308-N312 PolarHBondContact O-N 3.07Å; W308-N312 PolarHBondContact O-ND2 3.44Å; F309-N312 CarbonylContact O-C 3.59Å; F309-N312 PolarHBondContact O-N 3.18Å; R310-N312 VanDerWaalsContact C-N 3.27Å; R310-N312 PolarHBondContact O-N 2.87Å; N312-D314 PolarHBondContact O-N 3.12Å; N312-D314 VanDerWaalsContact O-N 3.08Å; N312-T315 CarbonylContact O-C 3.58Å; N312-T315 PolarHBondContact O-N 2.92Å; N312-T315 PolarHBondContact O-OG1 3.29Å; N312-T315 VanDerWaalsContact O-OG1 3.07Å; N312-I316 WeakPolarHBondContact O-CG2 3.46Å; N312-I316 PolarHBondContact O-N 3.44Å; N312-I316 VanDerWaalsContact O-N 3.15Å
313Y94.9Very high95Very high59 Ų5973.9 Ų73.923%0.23135%0.353CS..G310 helixtrans-50.1-40.3-171.8-176.8-102.1000113.2H191 Y194 F309 T315 I316H191-Y313 AromaticContact NE2-CE2 4Å; Y194-Y313 HydrophobicContact CD1-CD2 4.03Å; Y194-Y313 AromaticContact CD1-CE2 3.48Å; Y194-Y313 HydrophobicContact CD1-CE2 3.48Å; Y194-Y313 VanDerWaalsContact CD1-CE2 3.48Å; Y194-Y313 AromaticContact CD1-CZ 3.95Å; Y194-Y313 HydrophobicContact CE1-CD1 4.26Å; Y194-Y313 AromaticContact CE1-CD2 3.69Å; Y194-Y313 HydrophobicContact CE1-CD2 3.69Å; Y194-Y313 AromaticContact CE1-CE1 3.92Å; Y194-Y313 HydrophobicContact CE1-CE1 3.92Å; Y194-Y313 AromaticContact CE1-CE2 3.29Å; Y194-Y313 HydrophobicContact CE1-CE2 3.29Å; Y194-Y313 HydrophobicContact CE1-CG 4.15Å; Y194-Y313 AromaticContact CE1-CZ 3.42Å; Y194-Y313 VanDerWaalsContact CE1-CZ 3.42Å; Y194-Y313 HydrophobicContact CE2-CD2 4.41Å; Y194-Y313 HydrophobicContact CG-CE2 4.33Å; Y194-Y313 AromaticContact CZ-CD2 3.89Å; Y194-Y313 AromaticContact CZ-CE2 3.99Å; F309-Y313 HydrophobicContact CD1-CD2 4.46Å; F309-Y313 AromaticContact CE1-CD2 3.59Å; F309-Y313 HydrophobicContact CE1-CD2 3.59Å; F309-Y313 AromaticContact CE1-CE2 4Å; F309-Y313 HydrophobicContact CE1-CE2 4Å; F309-Y313 HydrophobicContact CE2-CD2 4.41Å; F309-Y313 AromaticContact CZ-CD2 3.58Å; F309-Y313 HydrophobicContact CZ-CD2 3.58Å; F309-Y313 AromaticContact CZ-CE2 3.72Å; F309-Y313 HydrophobicContact CZ-CE2 3.72Å; F309-Y313 WeakPolarHBondContact O-CA 3.48Å; F309-Y313 PolarHBondContact O-N 2.67Å; Y313-T315 PolarHBondContact O-N 2.91Å; Y313-I316 HydrophobicContact CD2-CD1 4.01Å; Y313-I316 HydrophobicContact CE2-CD1 4.05Å; Y313-I316 WeakPolarHBondContact O-CG1 3.42Å; Y313-I316 PolarHBondContact O-N 2.89Å
314D94.8Very high94.8Very high157 Ų15772.3 Ų72.384%0.8435%0.345SS*.G310 helixtrans-71.5-10.1-178.6-60.7-31.1000114.2N312N312-D314 PolarHBondContact O-N 3.12Å; N312-D314 VanDerWaalsContact O-N 3.08Å
315T93.5Very high94.6Very high103 Ų10369.8 Ų69.863%0.63234%0.34SS*.G310 helixtrans-126.79.1-176.762.60000113.4N312 Y313N312-T315 CarbonylContact O-C 3.58Å; N312-T315 PolarHBondContact O-N 2.92Å; N312-T315 PolarHBondContact O-OG1 3.29Å; N312-T315 VanDerWaalsContact O-OG1 3.07Å; Y313-T315 PolarHBondContact O-N 2.91Å
316I92.3Very high94.3Very high29 Ų2975.1 Ų75.115%0.14937%0.366CS..  trans-62157.2174.967.2-177.5000110.8F178 W308 F309 N312 Y313F178-I316 HydrophobicContact CB-CD1 4.33Å; F178-I316 HydrophobicContact CD2-CB 4.33Å; W308-I316 HydrophobicContact CH2-CG2 4.46Å; W308-I316 HydrophobicContact CZ3-CG2 4.15Å; F309-I316 HydrophobicContact CD2-CD1 4.42Å; F309-I316 HydrophobicContact CD2-CG2 3.99Å; F309-I316 HydrophobicContact CE2-CD1 3.52Å; F309-I316 HydrophobicContact CE2-CG2 4.12Å; F309-I316 HydrophobicContact CZ-CD1 3.9Å; N312-I316 WeakPolarHBondContact O-CG2 3.46Å; N312-I316 PolarHBondContact O-N 3.44Å; N312-I316 VanDerWaalsContact O-N 3.15Å; Y313-I316 HydrophobicContact CD2-CD1 4.01Å; Y313-I316 HydrophobicContact CE2-CD1 4.05Å; Y313-I316 WeakPolarHBondContact O-CG1 3.42Å; Y313-I316 PolarHBondContact O-N 2.89Å
317R86.8Confident94Very high115 Ų11581.3 Ų81.343%0.43440%0.396SS..BIsolated β-bridgetrans-89.7126.3169.9-64.7169.760.2-147-4.5108.5F175 N177 F178F175-R317 PolarHBondContact O-NH1 3.42Å; N177-R317 PolarHBondContact OD1-O 2.71Å; F178-R317 PolarHBondContact N-O 3.5Å
318C82.5Confident93.7Very high93 Ų9378.9 Ų78.963%0.62839%0.39SS*.  trans-1290165-62.90000106.6N177 D179N177-C318 WeakPolarHBondContact OD1-CA 3.48Å; N177-C318 PolarHBondContact OD1-OXT 3.12Å; D179-C318 HydrophobicContact CB-CB 4.16Å; D179-C318 VanDerWaalsContact CB-OXT 3.31Å; D179-C318 WeakPolarHBondContact CB-OXT 3.13Å

Retrieved 318 of 318 residues in 122.1 ms (Link to these results)

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