A0A093I0L4_STRCA Loading...

Protein CREG1

AlphaFold DB , UniProt , Accession A0A093I0L4, Species STRCA (Struthio camelus australis), Gene n/a, Length 154 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
1W98.3Very high98.2Very high143 Ų14351.3 Ų51.354%0.54226%0.263SS..  0163.3060.8-93.2000108I21 F22 Q66W1-I21 HydrophobicContact CB-CG2 4.42Å; W1-I21 HydrophobicContact CD2-CG2 4.3Å; W1-I21 HydrophobicContact CE3-CD1 4.06Å; W1-I21 HydrophobicContact CE3-CG2 3.78Å; W1-I21 HydrophobicContact CZ3-CD1 3.74Å; W1-I21 HydrophobicContact CZ3-CG2 4.45Å; W1-F22 CarbonylContact C-O 3.51Å; W1-F22 WeakPolarHBondContact CA-O 3.24Å; W1-F22 VanDerWaalsContact CB-O 3.28Å; W1-F22 WeakPolarHBondContact CB-O 3.5Å; W1-Q66 HydrophobicContact CH2-CG 3.85Å; W1-Q66 VanDerWaalsContact CH2-NE2 3.34Å; W1-Q66 HydrophobicContact CZ2-CB 4.12Å; W1-Q66 HydrophobicContact CZ2-CG 3.56Å; W1-Q66 PolarHBondContact O-NE2 2.76Å
2G98.6Very high98Very high0 Ų052.7 Ų52.70%030%0.299CS..EExtended strand (participates in β ladder)trans-149.9167175.800000111.4F22 T61G2-F22 PolarHBondContact N-O 3.09Å; G2-F22 PolarHBondContact O-N 3Å; G2-T61 WeakPolarHBondContact CA-O 3.47Å
3A98.8Very high97.9Very high36 Ų3654.2 Ų54.230%0.29831%0.306SS..EExtended strand (participates in β ladder)trans-90.8116.1171.400000108.6N20 I21 L60 T61A3-N20 WeakPolarHBondContact CA-O 3.17Å; A3-I21 HydrophobicContact CB-CD1 4.32Å; A3-L60 WeakPolarHBondContact O-CA 3.29Å; A3-T61 PolarHBondContact N-O 3.12Å; A3-T61 PolarHBondContact O-N 3.26Å
4L98.8Very high97.9Very high1 Ų164.8 Ų64.81%0.00534%0.338CS..EExtended strand (participates in β ladder)trans-99.9126.6175.2-170.573000108.4A19 N20 F22 L52 A58 S59 L60 V91 F127L4-A19 WeakPolarHBondContact O-CA 3.15Å; L4-N20 PolarHBondContact N-O 3.1Å; L4-N20 PolarHBondContact O-N 3.29Å; L4-F22 HydrophobicContact CB-CD2 3.43Å; L4-F22 VanDerWaalsContact CB-CD2 3.43Å; L4-F22 HydrophobicContact CB-CE2 3.78Å; L4-F22 HydrophobicContact CB-CG 4.42Å; L4-F22 HydrophobicContact CD2-CD2 3.87Å; L4-F22 HydrophobicContact CD2-CE2 3.77Å; L4-F22 HydrophobicContact CD2-CG 4.47Å; L4-F22 HydrophobicContact CD2-CZ 4.35Å; L4-F22 HydrophobicContact CG-CD2 4.31Å; L4-F22 HydrophobicContact CG-CE2 4.38Å; L4-L52 HydrophobicContact CD2-CD1 4.24Å; L4-A58 HydrophobicContact CD1-CB 3.88Å; L4-A58 HydrophobicContact CG-CB 4.36Å; L4-S59 CarbonylContact C-O 3.33Å; L4-S59 WeakPolarHBondContact CA-O 3.38Å; L4-L60 HydrophobicContact CD1-CB 4Å; L4-L60 HydrophobicContact CD1-CD1 4.37Å; L4-V91 HydrophobicContact CD1-CG2 4.33Å; L4-V91 HydrophobicContact CD2-CG2 4.3Å; L4-F127 HydrophobicContact CD1-CD2 3.79Å; L4-F127 HydrophobicContact CD1-CE2 3.64Å
5A98.8Very high97.8Very high35 Ų3563.7 Ų63.729%0.28935%0.35SS..EExtended strand (participates in β ladder)trans-105.6129.8174.800000110.7F18 A58 S59A5-F18 CarbonylContact C-O 3.38Å; A5-F18 WeakPolarHBondContact CA-O 3.37Å; A5-A58 WeakPolarHBondContact O-CA 3.22Å; A5-A58 WeakPolarHBondContact O-CB 3.38Å; A5-S59 PolarHBondContact N-O 3.01Å; A5-S59 PolarHBondContact O-N 3.39Å
6T98.8Very high97.8Very high5 Ų569.4 Ų69.43%0.03136%0.364CS..EExtended strand (participates in β ladder)trans-122.3171.717855.60000110.4F18 D51 L52T6-F18 PolarHBondContact N-O 3.49Å; T6-F18 PolarHBondContact O-N 2.62Å; T6-D51 HydrophobicContact CG2-CB 4.46Å; T6-D51 PolarHBondContact OG1-OD2 3.48Å; T6-L52 HydrophobicContact CG2-CD1 4.34Å; T6-L52 HydrophobicContact CG2-CD2 3.83Å; T6-L52 HydrophobicContact CG2-CG 3.81Å
7L98.6Very high97.8Very high76 Ų7672.1 Ų72.140%0.39839%0.387SS..EExtended strand (participates in β ladder)trans-99.2117.4166.5-67.4177.5000109A9 D51L7-A9 PolarHBondContact O-N 3.48Å; L7-D51 WeakPolarHBondContact O-CB 3.47Å
8S98.4Very high97.9Very high4 Ų471.4 Ų71.43%0.02838%0.38CS..  trans-59.5134.7-174-170.20000112Q10 L13 R14 G15 R16 D51S8-Q10 WeakPolarHBondContact OG-CB 3.13Å; S8-Q10 WeakPolarHBondContact OG-CG 3.39Å; S8-Q10 PolarHBondContact OG-N 3.35Å; S8-L13 WeakPolarHBondContact CB-O 3.34Å; S8-R14 CarbonylContact O-C 3.52Å; S8-R14 WeakPolarHBondContact O-CA 3.41Å; S8-G15 PolarHBondContact O-N 3.24Å; S8-R16 PolarHBondContact N-O 3.3Å; S8-D51 VanDerWaalsContact CA-CG 3.49Å; S8-D51 WeakPolarHBondContact CA-OD1 3.27Å; S8-D51 WeakPolarHBondContact CA-OD2 3.35Å
9A97.6Very high97.9Very high19 Ų1971.4 Ų71.416%0.15739%0.391CS..  trans-96.7-10170.900000112.7L7 D51 I54L7-A9 PolarHBondContact O-N 3.48Å; A9-D51 PolarHBondContact N-OD1 2.7Å; A9-I54 HydrophobicContact CB-CB 4.19Å; A9-I54 HydrophobicContact CB-CG1 3.74Å
10Q97.1Very high97.9Very high50 Ų5070.6 Ų70.623%0.23439%0.386CS..SBendtrans-66147.8-170.9-53.4-61.5-39.900112.4S8 G12 L13 R14 I47S8-Q10 WeakPolarHBondContact OG-CB 3.13Å; S8-Q10 WeakPolarHBondContact OG-CG 3.39Å; S8-Q10 PolarHBondContact OG-N 3.35Å; Q10-G12 PolarHBondContact O-N 3.32Å; Q10-L13 HydrophobicContact CB-CB 4.49Å; Q10-L13 CarbonylContact O-C 3.6Å; Q10-L13 PolarHBondContact O-N 3.13Å; Q10-L13 VanDerWaalsContact O-N 3.1Å; Q10-R14 PolarHBondContact O-N 2.91Å; Q10-I47 VanDerWaalsContact CD-CG1 3.48Å; Q10-I47 HydrophobicContact CG-CD1 3.74Å; Q10-I47 HydrophobicContact CG-CG1 3.74Å; Q10-I47 VanDerWaalsContact NE2-CG1 3.34Å
11E96.2Very high97.9Very high195 Ų19571.9 Ų71.991%0.91139%0.392SS*.THydrogen-bonded Turntrans-59.2134.2177.6-168.7173.1-175.400110.8L13E11-L13 PolarHBondContact O-N 3.23Å; E11-L13 VanDerWaalsContact O-N 3.16Å
12G96.3Very high98Very high68 Ų6865.9 Ų65.970%0.70137%0.369SS*.THydrogen-bonded Turntrans77.2-15-17600000115.9Q10Q10-G12 PolarHBondContact O-N 3.32Å
13L96.4Very high98Very high73 Ų7368.1 Ų68.138%0.38239%0.385SS..THydrogen-bonded Turntrans-118.21.2178.4-61.8177.5000113.9S8 Q10 E11 G15 R16S8-L13 WeakPolarHBondContact CB-O 3.34Å; Q10-L13 HydrophobicContact CB-CB 4.49Å; Q10-L13 CarbonylContact O-C 3.6Å; Q10-L13 PolarHBondContact O-N 3.13Å; Q10-L13 VanDerWaalsContact O-N 3.1Å; E11-L13 PolarHBondContact O-N 3.23Å; E11-L13 VanDerWaalsContact O-N 3.16Å; L13-G15 PolarHBondContact O-N 3.4Å; L13-R16 VanDerWaalsContact O-CB 3.23Å; L13-R16 WeakPolarHBondContact O-CB 3.33Å; L13-R16 VanDerWaalsContact O-CG 3.31Å; L13-R16 WeakPolarHBondContact O-CG 3.39Å; L13-R16 PolarHBondContact O-N 2.84Å
14R97.4Very high98Very high202 Ų20267.8 Ų67.876%0.76238%0.378SS*.THydrogen-bonded Turntrans-48126.5-175.5-171.7174.3-72.3-169.7-2.2113.1S8 Q10 R16S8-R14 CarbonylContact O-C 3.52Å; S8-R14 WeakPolarHBondContact O-CA 3.41Å; Q10-R14 PolarHBondContact O-N 2.91Å; R14-R16 VanDerWaalsContact C-N 3.29Å; R14-R16 PolarHBondContact O-N 3.35Å
15G96.8Very high97.9Very high49 Ų4967.8 Ų67.851%0.50538%0.378SS..THydrogen-bonded Turntrans80.6-2.5179.400000115.2S8 L13S8-G15 PolarHBondContact O-N 3.24Å; L13-G15 PolarHBondContact O-N 3.4Å
16R98.3Very high97.9Very high155 Ų15568.3 Ų68.359%0.58538%0.376SS*.  trans-77.9146.2175.3-64.8-175.4-179.4-153.80.6111S8 L13 R14 F18S8-R16 PolarHBondContact N-O 3.3Å; L13-R16 VanDerWaalsContact O-CB 3.23Å; L13-R16 WeakPolarHBondContact O-CB 3.33Å; L13-R16 VanDerWaalsContact O-CG 3.31Å; L13-R16 WeakPolarHBondContact O-CG 3.39Å; L13-R16 PolarHBondContact O-N 2.84Å; R14-R16 VanDerWaalsContact C-N 3.29Å; R14-R16 PolarHBondContact O-N 3.35Å; R16-F18 PolarHBondContact O-N 3.03Å
17P98.3Very high97.8Very high115 Ų11568.2 Ų68.275%0.74738%0.376SS*.EExtended strand (participates in β ladder)trans-63.5130.8170.528-33.6000109.4
18F98.4Very high97.6Very high59 Ų5966.5 Ų66.526%0.25937%0.37SS..EExtended strand (participates in β ladder)trans-125.8134.3177-173.9-96.6000108.3A5 T6 R16 N20 I47 S48A5-F18 CarbonylContact C-O 3.38Å; A5-F18 WeakPolarHBondContact CA-O 3.37Å; T6-F18 PolarHBondContact N-O 3.49Å; T6-F18 PolarHBondContact O-N 2.62Å; R16-F18 PolarHBondContact O-N 3.03Å; F18-N20 HydrophobicContact CE1-CB 3.98Å; F18-I47 HydrophobicContact CE1-CG2 3.6Å; F18-I47 HydrophobicContact CZ-CG2 3.77Å; F18-S48 WeakPolarHBondContact CE1-OG 3.27Å
19A98.4Very high97.2Very high72 Ų7270.6 Ų70.660%0.59540%0.396SS*.EExtended strand (participates in β ladder)trans-124.4133.7-17900000110.1L4L4-A19 WeakPolarHBondContact O-CA 3.15Å
20N98.3Very high96.8Very high55 Ų5572.2 Ų72.229%0.29441%0.414SS..EExtended strand (participates in β ladder)trans-139.9164.8178-162.510.9000111.6A3 L4 F18 F22 E46A3-N20 WeakPolarHBondContact CA-O 3.17Å; L4-N20 PolarHBondContact N-O 3.1Å; L4-N20 PolarHBondContact O-N 3.29Å; F18-N20 HydrophobicContact CE1-CB 3.98Å; N20-F22 HydrophobicContact CB-CE2 3.83Å; N20-F22 HydrophobicContact CB-CZ 4.45Å; N20-E46 PolarHBondContact ND2-OE1 3.33Å
21I98.5Very high96.1Very high98 Ų9875.3 Ų75.350%0.50344%0.439SS..EExtended strand (participates in β ladder)trans-95.8127.4-176.7-58.9-54.2000110.6W1 A3W1-I21 HydrophobicContact CB-CG2 4.42Å; W1-I21 HydrophobicContact CD2-CG2 4.3Å; W1-I21 HydrophobicContact CE3-CD1 4.06Å; W1-I21 HydrophobicContact CE3-CG2 3.78Å; W1-I21 HydrophobicContact CZ3-CD1 3.74Å; W1-I21 HydrophobicContact CZ3-CG2 4.45Å; A3-I21 HydrophobicContact CB-CD1 4.32Å
22F98.6Very high95.6Very high17 Ų1773 Ų738%0.07543%0.428CS..EExtended strand (participates in β ladder)trans-125.1135.8177-70.2-90.4000112.5W1 G2 L4 N20 L40 L42 E46W1-F22 CarbonylContact C-O 3.51Å; W1-F22 WeakPolarHBondContact CA-O 3.24Å; W1-F22 VanDerWaalsContact CB-O 3.28Å; W1-F22 WeakPolarHBondContact CB-O 3.5Å; G2-F22 PolarHBondContact N-O 3.09Å; G2-F22 PolarHBondContact O-N 3Å; L4-F22 HydrophobicContact CB-CD2 3.43Å; L4-F22 VanDerWaalsContact CB-CD2 3.43Å; L4-F22 HydrophobicContact CB-CE2 3.78Å; L4-F22 HydrophobicContact CB-CG 4.42Å; L4-F22 HydrophobicContact CD2-CD2 3.87Å; L4-F22 HydrophobicContact CD2-CE2 3.77Å; L4-F22 HydrophobicContact CD2-CG 4.47Å; L4-F22 HydrophobicContact CD2-CZ 4.35Å; L4-F22 HydrophobicContact CG-CD2 4.31Å; L4-F22 HydrophobicContact CG-CE2 4.38Å; N20-F22 HydrophobicContact CB-CE2 3.83Å; N20-F22 HydrophobicContact CB-CZ 4.45Å; F22-L40 HydrophobicContact CB-CD2 3.77Å; F22-L40 HydrophobicContact CG-CD2 4.32Å; F22-L42 HydrophobicContact CD1-CD2 3.59Å; F22-L42 HydrophobicContact CE1-CD2 3.61Å; F22-E46 HydrophobicContact CE1-CG 4.13Å; F22-E46 VanDerWaalsContact CZ-CD 3.49Å; F22-E46 HydrophobicContact CZ-CG 4.26Å; F22-E46 WeakPolarHBondContact CZ-OE2 3.37Å
23S98.6Very high95.3Very high47 Ų4770.8 Ų70.833%0.32941%0.405SS..  trans-68.2135.5161.7-75.90000109.6M113S23-M113 VanDerWaalsContact CB-CE 3.42Å
24L98.6Very high95.2Very high29 Ų2968.1 Ų68.115%0.15240%0.395CS..EExtended strand (participates in β ladder)trans-144.6158.718066.895.2000110.2Y39 L40 L60 V62 H110L24-Y39 WeakPolarHBondContact CA-O 3.41Å; L24-Y39 WeakPolarHBondContact CB-O 3.37Å; L24-L40 HydrophobicContact CB-CD2 4.21Å; L24-L60 HydrophobicContact CD2-CD1 3.9Å; L24-L60 HydrophobicContact CD2-CD2 4.06Å; L24-V62 HydrophobicContact CD2-CG1 4.16Å; L24-H110 PolarHBondContact O-NE2 2.83Å
25S98.4Very high95.1Very high0 Ų061.4 Ų61.40%038%0.379CS..EExtended strand (participates in β ladder)trans-151141.2172.9-169.60000109.8G27 Y39 A105 R109S25-G27 PolarHBondContact OG-N 2.93Å; S25-G27 PolarHBondContact OG-O 3.2Å; S25-Y39 PolarHBondContact N-O 2.83Å; S25-Y39 VanDerWaalsContact N-O 3.17Å; S25-Y39 WeakPolarHBondContact O-CB 3.36Å; S25-Y39 PolarHBondContact O-N 3.45Å; S25-A105 WeakPolarHBondContact CB-O 3.29Å; S25-A105 PolarHBondContact OG-O 3.11Å; S25-R109 WeakPolarHBondContact OG-CB 3.38Å
26D97.8Very high95.1Very high47 Ų4759.3 Ų59.325%0.25136%0.358SS..SBendtrans-100.6-0.4172.772.1-37.6000113G34 S35 G36 V37 R109D26-G34 WeakPolarHBondContact OD2-CA 3.39Å; D26-S35 PolarHBondContact O-N 3.42Å; D26-S35 PolarHBondContact O-OG 3.48Å; D26-S35 VanDerWaalsContact O-OG 3.06Å; D26-G36 PolarHBondContact OD2-N 3.43Å; D26-V37 VanDerWaalsContact CA-O 3.24Å; D26-V37 WeakPolarHBondContact CA-O 3.5Å; D26-R109 IonicContact OD1-NH2 3.58Å
27G96.9Very high95Very high3 Ų353 Ų533%0.03134%0.336CS..SBendtrans160.3173.3179.600000114.4S25 G33 R109S25-G27 PolarHBondContact OG-N 2.93Å; S25-G27 PolarHBondContact OG-O 3.2Å; G27-G33 VanDerWaalsContact CA-O 3.3Å; G27-G33 WeakPolarHBondContact CA-O 3.48Å; G27-R109 PolarHBondContact O-NH2 3.42Å
28P94.5Very high95.1Very high40 Ų4047.8 Ų47.826%0.2630%0.302SS..  trans-60.5154.9174.926.5-36.2000112.7G33 S108P28-G33 WeakPolarHBondContact CD-O 3.49Å; P28-S108 WeakPolarHBondContact CA-OG 3.01Å
29P90.4Very high95.1Very high90 Ų9045.6 Ų45.658%0.58429%0.292SS*.SBendtrans-63.6142.4174.928-34.1000111.2
30G87.6Confident95.1Very high52 Ų5242.2 Ų42.254%0.53626%0.264SS..SBendtrans125.4169.3176.400000113.3G33G30-G33 PolarHBondContact O-N 2.9Å
31P84.1Confident95.1Very high116 Ų11641.4 Ų41.475%0.75326%0.257SS*.THydrogen-bonded Turntrans-58.9138.9176.2-1931.2000110.8G33P31-G33 PolarHBondContact O-N 3.46Å
32H84.4Confident95.1Very high146 Ų14637 Ų3768%0.67624%0.235SC*.THydrogen-bonded Turntrans58.214.8179.9-45.6-49.4000115P154H32-P154 VanDerWaalsContact CA-O 3.24Å; H32-P154 WeakPolarHBondContact CA-O 3.14Å; H32-P154 PolarHBondContact N-O 3.25Å; H32-P154 VanDerWaalsContact N-O 3.11Å; H32-P154 PolarHBondContact ND1-O 2.92Å
33G89.6Confident95.1Very high21 Ų2136.7 Ų36.722%0.21623%0.234CC..  trans-78.8-30.7177.800000113G27 P28 G30 P31G27-G33 VanDerWaalsContact CA-O 3.3Å; G27-G33 WeakPolarHBondContact CA-O 3.48Å; P28-G33 WeakPolarHBondContact CD-O 3.49Å; G30-G33 PolarHBondContact O-N 2.9Å; P31-G33 PolarHBondContact O-N 3.46Å
34G94.7Very high95.1Very high17 Ų1737.3 Ų37.318%0.17523%0.234CC..  trans-83134-179.100000113D26 P154D26-G34 WeakPolarHBondContact OD2-CA 3.39Å; G34-P154 WeakPolarHBondContact O-CG 3.12Å
35S95.3Very high95Very high61 Ų6141.5 Ų41.543%0.42726%0.256SS..  trans-96.4-11.1174.369.70000113.6D26 V37D26-S35 PolarHBondContact O-N 3.42Å; D26-S35 PolarHBondContact O-OG 3.48Å; D26-S35 VanDerWaalsContact O-OG 3.06Å; S35-V37 PolarHBondContact O-N 3.12Å; S35-V37 PolarHBondContact OG-N 2.93Å; S35-V37 VanDerWaalsContact OG-N 3.12Å
36G96.8Very high95Very high6 Ų643.2 Ų43.26%0.06226%0.264CS..SBendtrans78.8-9.3-167.500000115.3D26 P38 Y149D26-G36 PolarHBondContact OD2-N 3.43Å; G36-P38 VanDerWaalsContact O-CD 3.22Å; G36-P38 WeakPolarHBondContact O-CD 3.44Å; G36-Y149 WeakPolarHBondContact CA-OH 3.39Å; G36-Y149 WeakPolarHBondContact O-CE1 3.47Å; G36-Y149 PolarHBondContact O-OH 3.07Å
37V97.8Very high95Very high23 Ų2343.9 Ų43.914%0.13927%0.267CS..  trans-79.5115.6177.9179.50000110D26 S35 Y39 K126 Y150D26-V37 VanDerWaalsContact CA-O 3.24Å; D26-V37 WeakPolarHBondContact CA-O 3.5Å; S35-V37 PolarHBondContact O-N 3.12Å; S35-V37 PolarHBondContact OG-N 2.93Å; S35-V37 VanDerWaalsContact OG-N 3.12Å; V37-Y39 HydrophobicContact CB-CE2 4.04Å; V37-Y39 HydrophobicContact CG1-CD1 4.32Å; V37-Y39 HydrophobicContact CG1-CD2 4.48Å; V37-Y39 HydrophobicContact CG1-CE1 3.85Å; V37-Y39 HydrophobicContact CG1-CE2 4.05Å; V37-Y39 WeakPolarHBondContact O-CD2 3.19Å; V37-Y39 PolarHBondContact O-N 3.48Å; V37-K126 HydrophobicContact CG1-CB 3.99Å; V37-K126 HydrophobicContact CG1-CD 4.13Å; V37-Y150 HydrophobicContact CG2-CE1 3.83Å
38P98.4Very high95Very high5 Ų543.8 Ų43.83%0.03227%0.265CS..  trans-75.5101.3179.7-12.730.2000110.2G36 L60 K126 F127 I129G36-P38 VanDerWaalsContact O-CD 3.22Å; G36-P38 WeakPolarHBondContact O-CD 3.44Å; P38-L60 HydrophobicContact CB-CD2 3.85Å; P38-L60 HydrophobicContact CG-CD2 4.08Å; P38-K126 CarbonylContact O-C 3.45Å; P38-K126 WeakPolarHBondContact O-CA 3.38Å; P38-F127 HydrophobicContact CB-CB 3.94Å; P38-F127 HydrophobicContact CG-CB 3.98Å; P38-F127 PolarHBondContact O-N 3.24Å; P38-I129 HydrophobicContact CG-CD1 4.17Å
39Y98.8Very high95.2Very high13 Ų1342.1 Ų42.15%0.05125%0.254CS..EExtended strand (participates in β ladder)trans-82.5146.7171-63.7-70.8000111.1L24 S25 V37 V94 E98 A102 A105 L106 A125 K126L24-Y39 WeakPolarHBondContact CA-O 3.41Å; L24-Y39 WeakPolarHBondContact CB-O 3.37Å; S25-Y39 PolarHBondContact N-O 2.83Å; S25-Y39 VanDerWaalsContact N-O 3.17Å; S25-Y39 WeakPolarHBondContact O-CB 3.36Å; S25-Y39 PolarHBondContact O-N 3.45Å; V37-Y39 HydrophobicContact CB-CE2 4.04Å; V37-Y39 HydrophobicContact CG1-CD1 4.32Å; V37-Y39 HydrophobicContact CG1-CD2 4.48Å; V37-Y39 HydrophobicContact CG1-CE1 3.85Å; V37-Y39 HydrophobicContact CG1-CE2 4.05Å; V37-Y39 WeakPolarHBondContact O-CD2 3.19Å; V37-Y39 PolarHBondContact O-N 3.48Å; Y39-V94 HydrophobicContact CD1-CG2 4.1Å; Y39-V94 HydrophobicContact CE1-CG2 4.19Å; Y39-E98 HydrophobicContact CE1-CG 3.9Å; Y39-E98 VanDerWaalsContact CE1-OE1 3.28Å; Y39-E98 WeakPolarHBondContact CE1-OE1 3.49Å; Y39-E98 VanDerWaalsContact CZ-OE1 3.32Å; Y39-E98 WeakPolarHBondContact OH-CG 3.15Å; Y39-E98 PolarHBondContact OH-OE1 3.43Å; Y39-A102 HydrophobicContact CD1-CB 3.45Å; Y39-A102 VanDerWaalsContact CD1-CB 3.45Å; Y39-A102 HydrophobicContact CE1-CB 3.84Å; Y39-A102 HydrophobicContact CG-CB 3.85Å; Y39-A105 HydrophobicContact CD2-CB 3.87Å; Y39-A105 HydrophobicContact CE2-CB 4.47Å; Y39-L106 WeakPolarHBondContact O-CD2 3.38Å; Y39-A125 CarbonylContact C-O 3.5Å; Y39-A125 WeakPolarHBondContact CA-O 3.27Å; Y39-K126 HydrophobicContact CD1-CB 3.8Å; Y39-K126 HydrophobicContact CE1-CB 3.98Å; Y39-K126 HydrophobicContact CE1-CD 4.36Å
40L98.8Very high95.6Very high0 Ų041 Ų410%024%0.242CC..EExtended strand (participates in β ladder)trans-131.6147.9-177.7-63.3149.6000109.3F22 L24 L42 V91 L106 A125F22-L40 HydrophobicContact CB-CD2 3.77Å; F22-L40 HydrophobicContact CG-CD2 4.32Å; L24-L40 HydrophobicContact CB-CD2 4.21Å; L40-L42 HydrophobicContact CB-CD1 4.08Å; L40-L42 HydrophobicContact CB-CD2 4.03Å; L40-L42 HydrophobicContact CB-CG 3.87Å; L40-L42 HydrophobicContact CD1-CD1 4.46Å; L40-V91 HydrophobicContact CD1-CG1 4.03Å; L40-V91 HydrophobicContact CD1-CG2 4.26Å; L40-L106 WeakPolarHBondContact O-CD1 3.12Å; L40-A125 HydrophobicContact CB-CB 4.27Å; L40-A125 PolarHBondContact N-O 3.07Å; L40-A125 PolarHBondContact O-N 3.4Å
41Y98.7Very high96.1Very high39 Ų3938.5 Ų38.515%0.15322%0.216CC..EExtended strand (participates in β ladder)trans-116.2111.5171.4-162.2-136.7000108.7F107 M113 W116 W122 F123 F124Y41-F107 AromaticContact CD1-CE1 3.97Å; Y41-F107 HydrophobicContact CD1-CE1 3.97Å; Y41-F107 AromaticContact CE1-CE1 3.85Å; Y41-F107 HydrophobicContact CE1-CE1 3.85Å; Y41-F107 AromaticContact CE1-CZ 3.93Å; Y41-F107 HydrophobicContact CE1-CZ 3.93Å; Y41-F107 HydrophobicContact CE2-CE1 4.48Å; Y41-F107 HydrophobicContact CE2-CZ 4.47Å; Y41-F107 HydrophobicContact CG-CE1 4.33Å; Y41-F107 AromaticContact CZ-CZ 3.9Å; Y41-M113 HydrophobicContact CD1-CB 4.07Å; Y41-M113 HydrophobicContact CD1-CG 4.21Å; Y41-M113 HydrophobicContact CD1-SD 4.15Å; Y41-M113 HydrophobicContact CE1-CB 4.41Å; Y41-M113 HydrophobicContact CG-SD 4.37Å; Y41-W116 AromaticContact CD1-CE3 3.62Å; Y41-W116 HydrophobicContact CD1-CE3 3.62Å; Y41-W116 AromaticContact CD1-CZ3 3.77Å; Y41-W116 HydrophobicContact CD1-CZ3 3.77Å; Y41-W116 HydrophobicContact CE1-CE3 4.04Å; Y41-W122 HydrophobicContact CD1-CB 4.32Å; Y41-W122 HydrophobicContact CD1-CD2 4.29Å; Y41-W122 HydrophobicContact CD1-CE3 4.09Å; Y41-W122 HydrophobicContact CD1-CG 4.41Å; Y41-W122 HydrophobicContact CD2-CB 4.26Å; Y41-W122 HydrophobicContact CE1-CB 3.65Å; Y41-W122 HydrophobicContact CE1-CD2 4.07Å; Y41-W122 HydrophobicContact CE1-CE3 4.33Å; Y41-W122 AromaticContact CE1-CG 3.78Å; Y41-W122 HydrophobicContact CE1-CG 3.78Å; Y41-W122 HydrophobicContact CE2-CB 3.56Å; Y41-W122 HydrophobicContact CG-CE3 4.49Å; Y41-W122 AromaticContact CZ-CG 3.85Å; Y41-W122 VanDerWaalsContact OH-CB 3.29Å; Y41-W122 WeakPolarHBondContact OH-CB 3.2Å; Y41-F123 WeakPolarHBondContact CD2-O 3.49Å; Y41-F124 AromaticContact CD2-CD1 3.53Å; Y41-F124 HydrophobicContact CD2-CD1 3.53Å; Y41-F124 AromaticContact CD2-CE1 3.38Å; Y41-F124 HydrophobicContact CD2-CE1 3.38Å; Y41-F124 HydrophobicContact CD2-CE2 4.45Å; Y41-F124 HydrophobicContact CD2-CG 4.14Å; Y41-F124 AromaticContact CD2-CZ 3.88Å; Y41-F124 HydrophobicContact CD2-CZ 3.88Å; Y41-F124 HydrophobicContact CE2-CD1 4Å; Y41-F124 HydrophobicContact CE2-CD2 4.32Å; Y41-F124 AromaticContact CE2-CE1 3.57Å; Y41-F124 HydrophobicContact CE2-CE1 3.57Å; Y41-F124 AromaticContact CE2-CE2 3.93Å; Y41-F124 HydrophobicContact CE2-CE2 3.93Å; Y41-F124 HydrophobicContact CE2-CG 4.36Å; Y41-F124 AromaticContact CE2-CZ 3.53Å; Y41-F124 HydrophobicContact CE2-CZ 3.53Å; Y41-F124 HydrophobicContact CG-CD1 4.46Å; Y41-F124 HydrophobicContact CG-CE1 4.18Å
42L98.6Very high96.8Very high5 Ų533.8 Ų33.83%0.02618%0.184CC..EExtended strand (participates in β ladder)trans-126.8161.8-161.8-60.3-178.1000111.3F22 L40 V49 V91 W122 F123 A125F22-L42 HydrophobicContact CD1-CD2 3.59Å; F22-L42 HydrophobicContact CE1-CD2 3.61Å; L40-L42 HydrophobicContact CB-CD1 4.08Å; L40-L42 HydrophobicContact CB-CD2 4.03Å; L40-L42 HydrophobicContact CB-CG 3.87Å; L40-L42 HydrophobicContact CD1-CD1 4.46Å; L42-V49 HydrophobicContact CB-CG2 3.92Å; L42-V49 HydrophobicContact CD1-CG2 4.1Å; L42-V49 HydrophobicContact CD2-CG2 4.26Å; L42-V49 HydrophobicContact CG-CG2 4.32Å; L42-V91 HydrophobicContact CD1-CG1 4.07Å; L42-W122 CarbonylContact O-C 3.45Å; L42-W122 VanDerWaalsContact O-CA 3.22Å; L42-W122 WeakPolarHBondContact O-CA 3.47Å; L42-F123 HydrophobicContact CB-CD2 4.34Å; L42-F123 HydrophobicContact CB-CE1 4.04Å; L42-F123 HydrophobicContact CB-CE2 3.74Å; L42-F123 HydrophobicContact CB-CZ 3.58Å; L42-F123 HydrophobicContact CD1-CE2 4.21Å; L42-F123 HydrophobicContact CD1-CZ 4.42Å; L42-F123 PolarHBondContact N-O 3.19Å; L42-F123 WeakPolarHBondContact O-CD1 3.47Å; L42-F123 PolarHBondContact O-N 3.37Å; L42-A125 HydrophobicContact CD1-CB 3.62Å; L42-A125 HydrophobicContact CG-CB 4.26Å
43T98.4Very high97.4Very high10 Ų1032.4 Ų32.46%0.06118%0.178CC..  trans-138.5144.6175.5170.10000108.7L45 E46 V49 H120 W122T43-L45 HydrophobicContact CG2-CB 4.09Å; T43-L45 PolarHBondContact O-N 2.76Å; T43-L45 VanDerWaalsContact O-N 3.1Å; T43-L45 PolarHBondContact OG1-N 2.78Å; T43-E46 HydrophobicContact CG2-CB 4.19Å; T43-E46 WeakPolarHBondContact O-CB 3.37Å; T43-E46 PolarHBondContact O-N 3.06Å; T43-V49 WeakPolarHBondContact O-CB 3.47Å; T43-V49 WeakPolarHBondContact O-CG2 3.48Å; T43-H120 WeakPolarHBondContact CB-O 3.35Å; T43-H120 PolarHBondContact OG1-O 2.92Å; T43-W122 HydrophobicContact CG2-CE3 3.98Å; T43-W122 HydrophobicContact CG2-CH2 3.8Å; T43-W122 HydrophobicContact CG2-CZ2 4.36Å; T43-W122 HydrophobicContact CG2-CZ3 3.59Å
44D97.6Very high97.8Very high61 Ų6138 Ų3833%0.32620%0.201SC..THydrogen-bonded Turntrans-66.6-9.2177.9-54.9-32.8000112.2E46 Q50 K93 F123D44-E46 VanDerWaalsContact C-N 3.26Å; D44-E46 PolarHBondContact O-N 2.76Å; D44-Q50 PolarHBondContact O-NE2 3.25Å; D44-K93 IonicContact OD1-NZ 3.35Å; D44-F123 WeakPolarHBondContact OD1-CE1 3.13Å
45L97.8Very high98Very high116 Ų11639.6 Ų39.661%0.60721%0.206SC*.THydrogen-bonded Turntrans-71.5-19.6170.6-60.5178000113.3T43 H120T43-L45 HydrophobicContact CG2-CB 4.09Å; T43-L45 PolarHBondContact O-N 2.76Å; T43-L45 VanDerWaalsContact O-N 3.1Å; T43-L45 PolarHBondContact OG1-N 2.78Å; L45-H120 HydrophobicContact CD1-CB 4Å
46E97.4Very high98.1Very high36 Ų3638.9 Ų38.917%0.16820%0.201CC..SBendtrans-81.8134.6-176.4-160.7-69.4139.600110.5N20 F22 T43 D44 S48 V49 Q50N20-E46 PolarHBondContact ND2-OE1 3.33Å; F22-E46 HydrophobicContact CE1-CG 4.13Å; F22-E46 VanDerWaalsContact CZ-CD 3.49Å; F22-E46 HydrophobicContact CZ-CG 4.26Å; F22-E46 WeakPolarHBondContact CZ-OE2 3.37Å; T43-E46 HydrophobicContact CG2-CB 4.19Å; T43-E46 WeakPolarHBondContact O-CB 3.37Å; T43-E46 PolarHBondContact O-N 3.06Å; D44-E46 VanDerWaalsContact C-N 3.26Å; D44-E46 PolarHBondContact O-N 2.76Å; E46-S48 VanDerWaalsContact CD-N 3.31Å; E46-S48 PolarHBondContact O-N 3.09Å; E46-S48 PolarHBondContact OE1-N 3.39Å; E46-S48 PolarHBondContact OE1-OG 3.42Å; E46-S48 VanDerWaalsContact OE2-C 3.31Å; E46-S48 WeakPolarHBondContact OE2-CA 3.2Å; E46-S48 WeakPolarHBondContact OE2-CB 3.48Å; E46-S48 PolarHBondContact OE2-N 3.1Å; E46-V49 HydrophobicContact CB-CB 4.26Å; E46-V49 HydrophobicContact CB-CG2 3.89Å; E46-V49 WeakPolarHBondContact O-CA 3.37Å; E46-V49 WeakPolarHBondContact O-CB 3.39Å; E46-V49 PolarHBondContact O-N 2.9Å; E46-V49 PolarHBondContact OE2-N 2.77Å; E46-Q50 PolarHBondContact O-N 3.29Å; E46-Q50 VanDerWaalsContact O-N 3.09Å
47I97.5Very high98.2Very high62 Ų6243.2 Ų43.232%0.31822%0.223SC..Hα-helixtrans-66.8-36.6-169.2-160.8174.1000113Q10 F18 V49 Q50 D51Q10-I47 VanDerWaalsContact CD-CG1 3.48Å; Q10-I47 HydrophobicContact CG-CD1 3.74Å; Q10-I47 HydrophobicContact CG-CG1 3.74Å; Q10-I47 VanDerWaalsContact NE2-CG1 3.34Å; F18-I47 HydrophobicContact CE1-CG2 3.6Å; F18-I47 HydrophobicContact CZ-CG2 3.77Å; I47-V49 VanDerWaalsContact C-N 3.33Å; I47-Q50 WeakPolarHBondContact O-CB 3.44Å; I47-Q50 PolarHBondContact O-N 3.09Å; I47-D51 VanDerWaalsContact O-CG 3.29Å; I47-D51 PolarHBondContact O-N 3.48Å; I47-D51 VanDerWaalsContact O-N 3.1Å
48S98.3Very high98.2Very high0 Ų042.4 Ų42.40%022%0.219CC..Hα-helixtrans-71.9-26.7172.9-49.40000111.9F18 E46 D51 L52F18-S48 WeakPolarHBondContact CE1-OG 3.27Å; E46-S48 VanDerWaalsContact CD-N 3.31Å; E46-S48 PolarHBondContact O-N 3.09Å; E46-S48 PolarHBondContact OE1-N 3.39Å; E46-S48 PolarHBondContact OE1-OG 3.42Å; E46-S48 VanDerWaalsContact OE2-C 3.31Å; E46-S48 WeakPolarHBondContact OE2-CA 3.2Å; E46-S48 WeakPolarHBondContact OE2-CB 3.48Å; E46-S48 PolarHBondContact OE2-N 3.1Å; S48-D51 WeakPolarHBondContact O-CB 3.42Å; S48-D51 PolarHBondContact O-N 3.43Å; S48-L52 WeakPolarHBondContact O-CB 3.33Å; S48-L52 WeakPolarHBondContact O-CD1 3.4Å; S48-L52 WeakPolarHBondContact O-CG 3.37Å; S48-L52 PolarHBondContact O-N 3.48Å
49V98.4Very high98.2Very high5 Ų543.8 Ų43.83%0.0323%0.229CC..Hα-helixtrans-66-42.2170.9177.30000110.5L42 T43 E46 I47 D51 L52 E53 F123L42-V49 HydrophobicContact CB-CG2 3.92Å; L42-V49 HydrophobicContact CD1-CG2 4.1Å; L42-V49 HydrophobicContact CD2-CG2 4.26Å; L42-V49 HydrophobicContact CG-CG2 4.32Å; T43-V49 WeakPolarHBondContact O-CB 3.47Å; T43-V49 WeakPolarHBondContact O-CG2 3.48Å; E46-V49 HydrophobicContact CB-CB 4.26Å; E46-V49 HydrophobicContact CB-CG2 3.89Å; E46-V49 WeakPolarHBondContact O-CA 3.37Å; E46-V49 WeakPolarHBondContact O-CB 3.39Å; E46-V49 PolarHBondContact O-N 2.9Å; E46-V49 PolarHBondContact OE2-N 2.77Å; I47-V49 VanDerWaalsContact C-N 3.33Å; V49-D51 VanDerWaalsContact C-N 3.28Å; V49-D51 PolarHBondContact O-N 2.91Å; V49-L52 WeakPolarHBondContact O-CB 3.49Å; V49-L52 PolarHBondContact O-N 2.97Å; V49-L52 VanDerWaalsContact O-N 3.07Å; V49-E53 WeakPolarHBondContact O-CG 3.48Å; V49-E53 PolarHBondContact O-N 3.07Å; V49-F123 HydrophobicContact CG1-CE1 4.25Å; V49-F123 HydrophobicContact CG1-CZ 3.83Å
50Q98.4Very high98.2Very high67 Ų6743.2 Ų43.231%0.31323%0.226SC..Hα-helixtrans-61.3-38.2173.1-63.3167.413.600111.9D44 E46 I47 L52 E53D44-Q50 PolarHBondContact O-NE2 3.25Å; E46-Q50 PolarHBondContact O-N 3.29Å; E46-Q50 VanDerWaalsContact O-N 3.09Å; I47-Q50 WeakPolarHBondContact O-CB 3.44Å; I47-Q50 PolarHBondContact O-N 3.09Å; Q50-L52 VanDerWaalsContact C-N 3.35Å; Q50-E53 PolarHBondContact O-N 2.64Å
51D98.5Very high98.3Very high0 Ų045.4 Ų45.40%024%0.24CC..Hα-helixtrans-60.9-45.1171.9-63.3-19.3000111.3T6 L7 S8 A9 I47 S48 V49 E53 I54 N55T6-D51 HydrophobicContact CG2-CB 4.46Å; T6-D51 PolarHBondContact OG1-OD2 3.48Å; L7-D51 WeakPolarHBondContact O-CB 3.47Å; S8-D51 VanDerWaalsContact CA-CG 3.49Å; S8-D51 WeakPolarHBondContact CA-OD1 3.27Å; S8-D51 WeakPolarHBondContact CA-OD2 3.35Å; A9-D51 PolarHBondContact N-OD1 2.7Å; I47-D51 VanDerWaalsContact O-CG 3.29Å; I47-D51 PolarHBondContact O-N 3.48Å; I47-D51 VanDerWaalsContact O-N 3.1Å; S48-D51 WeakPolarHBondContact O-CB 3.42Å; S48-D51 PolarHBondContact O-N 3.43Å; V49-D51 VanDerWaalsContact C-N 3.28Å; V49-D51 PolarHBondContact O-N 2.91Å; D51-E53 VanDerWaalsContact C-N 3.31Å; D51-E53 PolarHBondContact O-N 2.9Å; D51-I54 PolarHBondContact O-N 2.71Å; D51-I54 VanDerWaalsContact O-N 3.16Å; D51-N55 PolarHBondContact O-N 2.84Å
52L98.4Very high98.2Very high17 Ų1745.2 Ų45.29%0.08924%0.243CC..Hα-helixtrans-66.5-27.9-178.6-71.8166.3000113.7L4 T6 S48 V49 Q50 I54 N55 S56 A58 V91L4-L52 HydrophobicContact CD2-CD1 4.24Å; T6-L52 HydrophobicContact CG2-CD1 4.34Å; T6-L52 HydrophobicContact CG2-CD2 3.83Å; T6-L52 HydrophobicContact CG2-CG 3.81Å; S48-L52 WeakPolarHBondContact O-CB 3.33Å; S48-L52 WeakPolarHBondContact O-CD1 3.4Å; S48-L52 WeakPolarHBondContact O-CG 3.37Å; S48-L52 PolarHBondContact O-N 3.48Å; V49-L52 WeakPolarHBondContact O-CB 3.49Å; V49-L52 PolarHBondContact O-N 2.97Å; V49-L52 VanDerWaalsContact O-N 3.07Å; Q50-L52 VanDerWaalsContact C-N 3.35Å; L52-I54 VanDerWaalsContact C-N 3.29Å; L52-N55 WeakPolarHBondContact CA-O 3.46Å; L52-N55 CarbonylContact O-C 3.57Å; L52-S56 WeakPolarHBondContact O-CA 3.45Å; L52-S56 PolarHBondContact O-N 2.89Å; L52-A58 HydrophobicContact CD2-CB 4.08Å; L52-V91 HydrophobicContact CD1-CB 3.91Å; L52-V91 HydrophobicContact CD1-CG1 4.11Å; L52-V91 HydrophobicContact CD1-CG2 4.01Å; L52-V91 HydrophobicContact CD2-CB 3.98Å; L52-V91 HydrophobicContact CD2-CG2 4.03Å
53E97.7Very high98.3Very high117 Ų11746.3 Ų46.355%0.54725%0.25SS..Hα-helixtrans-65.9-32.9173.4-72-174150.900112.3V49 Q50 D51V49-E53 WeakPolarHBondContact O-CG 3.48Å; V49-E53 PolarHBondContact O-N 3.07Å; Q50-E53 PolarHBondContact O-N 2.64Å; D51-E53 VanDerWaalsContact C-N 3.31Å; D51-E53 PolarHBondContact O-N 2.9Å
54I98.1Very high98.3Very high137 Ų13748.8 Ų48.870%0.70326%0.263SS*.Hα-helixtrans-84.9-40.6176.6-55.2-55.1000110.9A9 D51 L52A9-I54 HydrophobicContact CB-CB 4.19Å; A9-I54 HydrophobicContact CB-CG1 3.74Å; D51-I54 PolarHBondContact O-N 2.71Å; D51-I54 VanDerWaalsContact O-N 3.16Å; L52-I54 VanDerWaalsContact C-N 3.29Å
55N97.9Very high98.3Very high52 Ų5248 Ų4828%0.27827%0.265SS..  trans-145.1105.4178.1-171.2-19.6000110.8D51 L52 N57D51-N55 PolarHBondContact O-N 2.84Å; L52-N55 WeakPolarHBondContact CA-O 3.46Å; L52-N55 CarbonylContact O-C 3.57Å; N55-N57 PolarHBondContact O-N 3.3Å; N55-N57 VanDerWaalsContact O-N 3.16Å; N55-N57 VanDerWaalsContact OD1-CB 3.22Å; N55-N57 WeakPolarHBondContact OD1-CB 3.45Å; N55-N57 PolarHBondContact OD1-N 2.99Å
56S98.1Very high98.3Very high45 Ų4545.4 Ų45.432%0.31525%0.25SC..  trans-71.1-8-177.461.30000114.5L52 A58 N90 V91L52-S56 WeakPolarHBondContact O-CA 3.45Å; L52-S56 PolarHBondContact O-N 2.89Å; S56-A58 PolarHBondContact O-N 2.95Å; S56-N90 CarbonylContact O-C 3.59Å; S56-N90 WeakPolarHBondContact O-CA 3.33Å; S56-N90 VanDerWaalsContact O-CB 3.3Å; S56-N90 WeakPolarHBondContact O-CB 3.28Å; S56-V91 PolarHBondContact O-N 2.86Å
57N98.5Very high98.4Very high97 Ų9746.9 Ų46.952%0.51926%0.261SS..EExtended strand (participates in β ladder)trans-65.2131.3177.4-68-12.6000110.7N55 G89N55-N57 PolarHBondContact O-N 3.3Å; N55-N57 VanDerWaalsContact O-N 3.16Å; N55-N57 VanDerWaalsContact OD1-CB 3.22Å; N55-N57 WeakPolarHBondContact OD1-CB 3.45Å; N55-N57 PolarHBondContact OD1-N 2.99Å; N57-G89 WeakPolarHBondContact CA-O 3.02Å
58A98.7Very high98.4Very high7 Ų749 Ų496%0.05828%0.279CS..EExtended strand (participates in β ladder)trans-147.4162.1-179.300000111.8L4 A5 L52 S56 G89 V91 F127L4-A58 HydrophobicContact CD1-CB 3.88Å; L4-A58 HydrophobicContact CG-CB 4.36Å; A5-A58 WeakPolarHBondContact O-CA 3.22Å; A5-A58 WeakPolarHBondContact O-CB 3.38Å; L52-A58 HydrophobicContact CD2-CB 4.08Å; S56-A58 PolarHBondContact O-N 2.95Å; A58-G89 PolarHBondContact N-O 3.06Å; A58-G89 PolarHBondContact O-N 3.11Å; A58-G89 VanDerWaalsContact O-N 3.12Å; A58-V91 HydrophobicContact CB-CG2 4.17Å; A58-F127 HydrophobicContact CB-CE2 3.8Å; A58-F127 HydrophobicContact CB-CZ 4.46Å; A58-F127 WeakPolarHBondContact O-CZ 3.2Å
59S98.8Very high98.4Very high34 Ų3453.7 Ų53.724%0.23830%0.297CS..EExtended strand (participates in β ladder)trans-120.1135.8166.9175.70000109.6L4 A5 I86 F87L4-S59 CarbonylContact C-O 3.33Å; L4-S59 WeakPolarHBondContact CA-O 3.38Å; A5-S59 PolarHBondContact N-O 3.01Å; A5-S59 PolarHBondContact O-N 3.39Å; S59-I86 WeakPolarHBondContact OG-CG2 3.42Å; S59-F87 CarbonylContact C-O 3.46Å; S59-F87 WeakPolarHBondContact CA-O 3.39Å; S59-F87 PolarHBondContact OG-O 3.26Å
60L98.9Very high98.5Very high1 Ų153.6 Ų53.61%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-120.8124.1178.617265.6000109.4A3 L4 L24 P38 F87 F127A3-L60 WeakPolarHBondContact O-CA 3.29Å; L4-L60 HydrophobicContact CD1-CB 4Å; L4-L60 HydrophobicContact CD1-CD1 4.37Å; L24-L60 HydrophobicContact CD2-CD1 3.9Å; L24-L60 HydrophobicContact CD2-CD2 4.06Å; P38-L60 HydrophobicContact CB-CD2 3.85Å; P38-L60 HydrophobicContact CG-CD2 4.08Å; L60-F87 HydrophobicContact CB-CB 4.32Å; L60-F87 HydrophobicContact CB-CD2 4.45Å; L60-F87 HydrophobicContact CD2-CD2 4.18Å; L60-F87 HydrophobicContact CG-CD2 4.28Å; L60-F87 PolarHBondContact N-O 2.81Å; L60-F87 PolarHBondContact O-N 3.3Å; L60-F127 HydrophobicContact CB-CD2 3.87Å; L60-F127 HydrophobicContact CB-CE2 3.6Å; L60-F127 HydrophobicContact CB-CG 4.49Å; L60-F127 HydrophobicContact CB-CZ 4.03Å; L60-F127 HydrophobicContact CD2-CD2 4.28Å; L60-F127 HydrophobicContact CD2-CG 4.38Å
61T98.8Very high98.5Very high46 Ų4659.2 Ų59.228%0.28232%0.32SS..EExtended strand (participates in β ladder)trans-116.9134.9176.8-55.30000111.4G2 A3 I85 I86G2-T61 WeakPolarHBondContact CA-O 3.47Å; A3-T61 PolarHBondContact N-O 3.12Å; A3-T61 PolarHBondContact O-N 3.26Å; T61-I85 WeakPolarHBondContact CA-O 3.44Å; T61-I86 HydrophobicContact CG2-CG1 4.09Å
62V98.6Very high98.5Very high35 Ų3567.4 Ų67.421%0.21236%0.356CS..EExtended strand (participates in β ladder)trans-131.5151.3169.8-61.30000110L24 H84 I85L24-V62 HydrophobicContact CD2-CG1 4.16Å; V62-H84 VanDerWaalsContact O-CA 3.3Å; V62-H84 WeakPolarHBondContact O-CA 3.14Å; V62-H84 WeakPolarHBondContact O-CB 3.44Å; V62-I85 HydrophobicContact CG2-CG2 3.3Å; V62-I85 PolarHBondContact N-O 2.65Å; V62-I85 VanDerWaalsContact N-O 3.16Å; V62-I85 PolarHBondContact O-N 3.16Å
63S98.6Very high98.5Very high27 Ų2770.4 Ų70.419%0.18937%0.369CS..EExtended strand (participates in β ladder)trans-140.1145.2-172.9174.20000111.6A65 Q66S63-A65 PolarHBondContact O-N 3.4Å; S63-A65 VanDerWaalsContact O-N 3.1Å; S63-A65 WeakPolarHBondContact OG-CB 3.21Å; S63-A65 PolarHBondContact OG-N 2.92Å; S63-Q66 VanDerWaalsContact O-CB 3.25Å; S63-Q66 WeakPolarHBondContact O-CB 3.38Å; S63-Q66 WeakPolarHBondContact O-CG 3.39Å; S63-Q66 PolarHBondContact O-N 2.98Å; S63-Q66 PolarHBondContact O-OE1 2.87Å; S63-Q66 VanDerWaalsContact O-OE1 3.08Å
64L98.8Very high98.5Very high63 Ų6374.1 Ų74.133%0.3338%0.384SS..G310 helixtrans-61.4-16170.3-68.1-176.4000113.1Q66 T67 Y69 A83L64-Q66 PolarHBondContact O-N 3.4Å; L64-T67 PolarHBondContact O-N 2.96Å; L64-T67 PolarHBondContact O-OG1 2.92Å; L64-Y69 HydrophobicContact CB-CD1 3.9Å; L64-Y69 HydrophobicContact CB-CG 4.38Å; L64-Y69 HydrophobicContact CD1-CD1 3.57Å; L64-Y69 HydrophobicContact CD1-CE1 3.63Å; L64-Y69 HydrophobicContact CD1-CG 4.1Å; L64-Y69 HydrophobicContact CG-CD1 4.34Å; L64-A83 HydrophobicContact CD1-CB 3.79Å; L64-A83 HydrophobicContact CG-CB 4.25Å; L64-A83 PolarHBondContact N-O 3.1Å
65A98.5Very high98.5Very high43 Ų4370.8 Ų70.836%0.35536%0.363SS..G310 helixtrans-62-20.317100000112.9S63 T67 C70 P77S63-A65 PolarHBondContact O-N 3.4Å; S63-A65 VanDerWaalsContact O-N 3.1Å; S63-A65 WeakPolarHBondContact OG-CB 3.21Å; S63-A65 PolarHBondContact OG-N 2.92Å; A65-T67 PolarHBondContact O-N 3.35Å; A65-C70 PolarHBondContact N-SG 3.2Å; A65-C70 VanDerWaalsContact N-SG 3.35Å; A65-P77 HydrophobicContact CB-CB 3.99Å; A65-P77 HydrophobicContact CB-CG 4.37Å
66Q98.4Very high98.5Very high63 Ų6373 Ų7329%0.29438%0.375SS..G310 helixtrans-73.5-6.7173.7-54.7172.6-71.400112.2W1 S63 L64W1-Q66 HydrophobicContact CH2-CG 3.85Å; W1-Q66 VanDerWaalsContact CH2-NE2 3.34Å; W1-Q66 HydrophobicContact CZ2-CB 4.12Å; W1-Q66 HydrophobicContact CZ2-CG 3.56Å; W1-Q66 PolarHBondContact O-NE2 2.76Å; S63-Q66 VanDerWaalsContact O-CB 3.25Å; S63-Q66 WeakPolarHBondContact O-CB 3.38Å; S63-Q66 WeakPolarHBondContact O-CG 3.39Å; S63-Q66 PolarHBondContact O-N 2.98Å; S63-Q66 PolarHBondContact O-OE1 2.87Å; S63-Q66 VanDerWaalsContact O-OE1 3.08Å; L64-Q66 PolarHBondContact O-N 3.4Å
67T98.2Very high98.5Very high66 Ų6674.5 Ų74.541%0.40538%0.383SS..SBendtrans-118.6171.617579.90000110.3L64 A65 Y69L64-T67 PolarHBondContact O-N 2.96Å; L64-T67 PolarHBondContact O-OG1 2.92Å; A65-T67 PolarHBondContact O-N 3.35Å; T67-Y69 PolarHBondContact O-N 2.87Å; T67-Y69 VanDerWaalsContact O-N 3.11Å; T67-Y69 WeakPolarHBondContact OG1-CB 3.24Å; T67-Y69 PolarHBondContact OG1-N 3.33Å; T67-Y69 VanDerWaalsContact OG1-N 3.11Å
68P98.6Very high98.5Very high108 Ų10877.6 Ų77.670%0.70140%0.395SS*.SBendtrans-64.9-8.7172.4-23.635.5000115.3C70 K71 K72P68-C70 PolarHBondContact O-N 3.4Å; P68-K71 PolarHBondContact O-N 3.16Å; P68-K72 WeakPolarHBondContact O-CB 3.49Å; P68-K72 PolarHBondContact O-N 3.17Å
69Y98.6Very high98.5Very high97 Ų9779.4 Ų79.438%0.3840%0.403SS..Hα-helixtrans-54.4-56-170.4178.9-90.8000113.2L64 T67 K71 K72 H73 Y75L64-Y69 HydrophobicContact CB-CD1 3.9Å; L64-Y69 HydrophobicContact CB-CG 4.38Å; L64-Y69 HydrophobicContact CD1-CD1 3.57Å; L64-Y69 HydrophobicContact CD1-CE1 3.63Å; L64-Y69 HydrophobicContact CD1-CG 4.1Å; L64-Y69 HydrophobicContact CG-CD1 4.34Å; T67-Y69 PolarHBondContact O-N 2.87Å; T67-Y69 VanDerWaalsContact O-N 3.11Å; T67-Y69 WeakPolarHBondContact OG1-CB 3.24Å; T67-Y69 PolarHBondContact OG1-N 3.33Å; T67-Y69 VanDerWaalsContact OG1-N 3.11Å; Y69-K71 PolarHBondContact O-N 2.82Å; Y69-K72 PolarHBondContact O-N 2.92Å; Y69-H73 AromaticContact CD2-CE1 3.73Å; Y69-H73 AromaticContact CD2-ND1 3.88Å; Y69-H73 AromaticContact CE2-CE1 3.49Å; Y69-H73 VanDerWaalsContact CE2-CE1 3.49Å; Y69-H73 WeakPolarHBondContact CE2-CE1 3.28Å; Y69-H73 AromaticContact CE2-ND1 3.83Å; Y69-H73 AromaticContact CZ-CE1 3.96Å; Y69-H73 AromaticContact CZ-ND1 3.98Å; Y69-H73 PolarHBondContact O-N 3.4Å; Y69-H73 VanDerWaalsContact O-N 3.15Å; Y69-H73 PolarHBondContact O-ND1 2.91Å; Y69-Y75 HydrophobicContact CE1-CD2 4.4Å; Y69-Y75 HydrophobicContact CE1-CE2 4.37Å
70C98.6Very high98.4Very high3 Ų378.8 Ų78.82%0.0240%0.399CS..Hα-helixtrans-67-40.6-174.6-55.30000111.6A65 P68 K72 H73 K74 Y75 C82A65-C70 PolarHBondContact N-SG 3.2Å; A65-C70 VanDerWaalsContact N-SG 3.35Å; P68-C70 PolarHBondContact O-N 3.4Å; C70-K72 PolarHBondContact O-N 3.03Å; C70-H73 CarbonylContact O-C 3.09Å; C70-H73 PolarHBondContact O-N 2.9Å; C70-K74 PolarHBondContact O-N 2.97Å; C70-Y75 PolarHBondContact O-N 2.88Å; C70-C82 HydrophobicContact CB-CB 3.72Å; C70-C82 WeakPolarHBondContact CB-SG 3.46Å; C70-C82 WeakPolarHBondContact SG-CA 3.35Å; C70-C82 WeakPolarHBondContact SG-CB 3.3Å; C70-C82 CovalentContact SG-SG 2.02Å; C70-C82 PolarHBondContact SG-SG 2.91Å
71K98.4Very high98.4Very high186 Ų18680.4 Ų80.481%0.80941%0.407SS*.Hα-helixtrans-61.3-43.1175.8-171.7176.1-178.1177.30111.9P68 Y69 H73 K74P68-K71 PolarHBondContact O-N 3.16Å; Y69-K71 PolarHBondContact O-N 2.82Å; K71-H73 VanDerWaalsContact C-N 3.29Å; K71-H73 PolarHBondContact O-N 3.04Å; K71-K74 PolarHBondContact O-N 3.37Å
72K98.5Very high98.3Very high172 Ų17278.2 Ų78.275%0.74839%0.394SS*.Hα-helixtrans-62-37177.9-177.5177.9176.1-177.30112.1P68 Y69 C70P68-K72 WeakPolarHBondContact O-CB 3.49Å; P68-K72 PolarHBondContact O-N 3.17Å; Y69-K72 PolarHBondContact O-N 2.92Å; C70-K72 PolarHBondContact O-N 3.03Å
73H98.4Very high98.3Very high80 Ų8077.7 Ų77.737%0.3739%0.393SS..Hα-helixtrans-89.71.2178.7-64.289.9000113.9Y69 C70 K71 Y75Y69-H73 AromaticContact CD2-CE1 3.73Å; Y69-H73 AromaticContact CD2-ND1 3.88Å; Y69-H73 AromaticContact CE2-CE1 3.49Å; Y69-H73 VanDerWaalsContact CE2-CE1 3.49Å; Y69-H73 WeakPolarHBondContact CE2-CE1 3.28Å; Y69-H73 AromaticContact CE2-ND1 3.83Å; Y69-H73 AromaticContact CZ-CE1 3.96Å; Y69-H73 AromaticContact CZ-ND1 3.98Å; Y69-H73 PolarHBondContact O-N 3.4Å; Y69-H73 VanDerWaalsContact O-N 3.15Å; Y69-H73 PolarHBondContact O-ND1 2.91Å; C70-H73 CarbonylContact O-C 3.09Å; C70-H73 PolarHBondContact O-N 2.9Å; K71-H73 VanDerWaalsContact C-N 3.29Å; K71-H73 PolarHBondContact O-N 3.04Å; H73-Y75 HydrophobicContact CB-CD1 4.29Å; H73-Y75 HydrophobicContact CB-CD2 3.58Å; H73-Y75 HydrophobicContact CB-CE1 4.11Å; H73-Y75 HydrophobicContact CB-CE2 3.37Å; H73-Y75 HydrophobicContact CB-CG 4.04Å; H73-Y75 AromaticContact CG-CE2 3.95Å; H73-Y75 PolarHBondContact O-N 3.27Å
74K98.3Very high98.3Very high194 Ų19478.3 Ų78.384%0.84339%0.393SS*.THydrogen-bonded Turntrans57.334-176.4-53.5175.5178.9177.90113C70 K71C70-K74 PolarHBondContact O-N 2.97Å; K71-K74 PolarHBondContact O-N 3.37Å
75Y98.5Very high98.3Very high67 Ų6776.9 Ų76.926%0.26339%0.385SS..  trans-87.1128.6170.6-56.8-31.8000109.2Y69 C70 H73 L81Y69-Y75 HydrophobicContact CE1-CD2 4.4Å; Y69-Y75 HydrophobicContact CE1-CE2 4.37Å; C70-Y75 PolarHBondContact O-N 2.88Å; H73-Y75 HydrophobicContact CB-CD1 4.29Å; H73-Y75 HydrophobicContact CB-CD2 3.58Å; H73-Y75 HydrophobicContact CB-CE1 4.11Å; H73-Y75 HydrophobicContact CB-CE2 3.37Å; H73-Y75 HydrophobicContact CB-CG 4.04Å; H73-Y75 AromaticContact CG-CE2 3.95Å; H73-Y75 PolarHBondContact O-N 3.27Å; Y75-L81 HydrophobicContact CD1-CB 4.08Å; Y75-L81 HydrophobicContact CD1-CD1 4.28Å; Y75-L81 HydrophobicContact CD2-CB 3.62Å; Y75-L81 WeakPolarHBondContact CD2-O 3.49Å; Y75-L81 HydrophobicContact CE1-CB 3.98Å; Y75-L81 HydrophobicContact CE1-CD1 3.65Å; Y75-L81 HydrophobicContact CE1-CG 4.48Å; Y75-L81 HydrophobicContact CE2-CB 3.49Å; Y75-L81 VanDerWaalsContact CE2-CB 3.49Å; Y75-L81 HydrophobicContact CE2-CD1 4.43Å; Y75-L81 HydrophobicContact CG-CB 3.93Å
76D98.5Very high98.3Very high99 Ų9977.2 Ų77.253%0.52938%0.38SS..  trans-57.2142.7163.4-179.2-92.4000109.5Q78 N79 C82D76-Q78 PolarHBondContact O-N 3.02Å; D76-Q78 VanDerWaalsContact O-N 3.08Å; D76-Q78 VanDerWaalsContact OD1-CB 3.27Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.14Å; D76-Q78 PolarHBondContact OD1-N 3.12Å; D76-N79 HydrophobicContact CB-CB 4.3Å; D76-N79 WeakPolarHBondContact O-CB 3.47Å; D76-N79 PolarHBondContact O-N 3.06Å; D76-C82 WeakPolarHBondContact O-CB 3.21Å
77P98.3Very high98.3Very high77 Ų7774.7 Ų74.750%0.537%0.368SS..THydrogen-bonded Turntrans-55.3-25.3179.8-28.837.3000115.3A65A65-P77 HydrophobicContact CB-CB 3.99Å; A65-P77 HydrophobicContact CB-CG 4.37Å
78Q97.9Very high98.4Very high161 Ų16173.6 Ų73.675%0.75236%0.363SS*.THydrogen-bonded Turntrans-88.2-15176.9-165.5176.73.200112.9D76D76-Q78 PolarHBondContact O-N 3.02Å; D76-Q78 VanDerWaalsContact O-N 3.08Å; D76-Q78 VanDerWaalsContact OD1-CB 3.27Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.14Å; D76-Q78 PolarHBondContact OD1-N 3.12Å
79N97.9Very high98.4Very high46 Ų4668.7 Ų68.725%0.24633%0.332CS..SBendtrans-62.2131.1175.2-174.5-46.2000109.2D76 L81 C82D76-N79 HydrophobicContact CB-CB 4.3Å; D76-N79 WeakPolarHBondContact O-CB 3.47Å; D76-N79 PolarHBondContact O-N 3.06Å; N79-L81 PolarHBondContact O-N 2.89Å; N79-L81 WeakPolarHBondContact OD1-CB 3.34Å; N79-L81 WeakPolarHBondContact OD1-CG 3.16Å; N79-L81 PolarHBondContact OD1-N 2.7Å; N79-C82 WeakPolarHBondContact O-CA 3.31Å; N79-C82 VanDerWaalsContact O-CB 3.28Å; N79-C82 WeakPolarHBondContact O-CB 3.25Å; N79-C82 PolarHBondContact O-N 2.57Å
80P97.5Very high98.4Very high21 Ų2165.5 Ų65.514%0.13632%0.321CS..THydrogen-bonded Turntrans-60.5-22.6-177.225.5-36.7000113.8C82 L135 D136 Y137 F138P80-C82 PolarHBondContact O-N 3.35Å; P80-L135 HydrophobicContact CB-CD1 4.31Å; P80-L135 HydrophobicContact CB-CD2 4.07Å; P80-L135 HydrophobicContact CB-CG 3.83Å; P80-D136 CarbonylContact O-C 3.47Å; P80-D136 WeakPolarHBondContact O-CA 3.22Å; P80-Y137 WeakPolarHBondContact CB-O 3.23Å; P80-F138 HydrophobicContact CG-CD1 3.66Å; P80-F138 HydrophobicContact CG-CE1 3.73Å; P80-F138 HydrophobicContact CG-CG 4.28Å; P80-F138 HydrophobicContact CG-CZ 4.4Å
81L97.8Very high98.4Very high35 Ų3566 Ų6618%0.18332%0.324CS..THydrogen-bonded Turntrans-70.2-19.5173-57.1180000112.8Y75 N79 A83 Y137 F138Y75-L81 HydrophobicContact CD1-CB 4.08Å; Y75-L81 HydrophobicContact CD1-CD1 4.28Å; Y75-L81 HydrophobicContact CD2-CB 3.62Å; Y75-L81 WeakPolarHBondContact CD2-O 3.49Å; Y75-L81 HydrophobicContact CE1-CB 3.98Å; Y75-L81 HydrophobicContact CE1-CD1 3.65Å; Y75-L81 HydrophobicContact CE1-CG 4.48Å; Y75-L81 HydrophobicContact CE2-CB 3.49Å; Y75-L81 VanDerWaalsContact CE2-CB 3.49Å; Y75-L81 HydrophobicContact CE2-CD1 4.43Å; Y75-L81 HydrophobicContact CG-CB 3.93Å; N79-L81 PolarHBondContact O-N 2.89Å; N79-L81 WeakPolarHBondContact OD1-CB 3.34Å; N79-L81 WeakPolarHBondContact OD1-CG 3.16Å; N79-L81 PolarHBondContact OD1-N 2.7Å; L81-A83 VanDerWaalsContact C-N 3.29Å; L81-A83 PolarHBondContact O-N 3.11Å; L81-Y137 HydrophobicContact CD2-CD2 3.34Å; L81-Y137 HydrophobicContact CD2-CE2 3.5Å; L81-Y137 HydrophobicContact CD2-CG 4.36Å; L81-F138 HydrophobicContact CD1-CE2 4.04Å; L81-F138 HydrophobicContact CD1-CZ 4.26Å; L81-F138 HydrophobicContact CD2-CE2 4.33Å; L81-F138 HydrophobicContact CG-CE2 4.14Å; L81-F138 HydrophobicContact CG-CZ 4.33Å
82C98.4Very high98.4Very high0 Ų059.4 Ų59.40%030%0.299CS..SBendtrans-83.678.1160.3-174.20000108.9C70 D76 N79 P80 H84C70-C82 HydrophobicContact CB-CB 3.72Å; C70-C82 WeakPolarHBondContact CB-SG 3.46Å; C70-C82 WeakPolarHBondContact SG-CA 3.35Å; C70-C82 WeakPolarHBondContact SG-CB 3.3Å; C70-C82 CovalentContact SG-SG 2.02Å; C70-C82 PolarHBondContact SG-SG 2.91Å; D76-C82 WeakPolarHBondContact O-CB 3.21Å; N79-C82 WeakPolarHBondContact O-CA 3.31Å; N79-C82 VanDerWaalsContact O-CB 3.28Å; N79-C82 WeakPolarHBondContact O-CB 3.25Å; N79-C82 PolarHBondContact O-N 2.57Å; P80-C82 PolarHBondContact O-N 3.35Å; C82-H84 PolarHBondContact O-N 3.23Å
83A98.4Very high98.3Very high23 Ų2357 Ų5719%0.1929%0.289CS..  trans-57139.1-167.600000112.6L64 L81 L135 D136L64-A83 HydrophobicContact CD1-CB 3.79Å; L64-A83 HydrophobicContact CG-CB 4.25Å; L64-A83 PolarHBondContact N-O 3.1Å; L81-A83 VanDerWaalsContact C-N 3.29Å; L81-A83 PolarHBondContact O-N 3.11Å; A83-L135 WeakPolarHBondContact CA-O 3.34Å; A83-D136 HydrophobicContact CB-CB 3.98Å
84H98.4Very high98.3Very high41 Ų4154 Ų5419%0.1928%0.277CS..EExtended strand (participates in β ladder)trans-137.8153.3169.161.9-91.7000110.4V62 C82 L135V62-H84 VanDerWaalsContact O-CA 3.3Å; V62-H84 WeakPolarHBondContact O-CA 3.14Å; V62-H84 WeakPolarHBondContact O-CB 3.44Å; C82-H84 PolarHBondContact O-N 3.23Å; H84-L135 WeakPolarHBondContact CE1-CD2 3.42Å; H84-L135 PolarHBondContact N-O 2.88Å; H84-L135 PolarHBondContact O-N 2.99Å
85I98.4Very high98.2Very high32 Ų3249 Ų4916%0.16426%0.259CS..EExtended strand (participates in β ladder)trans-126.2139.9-177.3-172.8167.2000108.7T61 V62 F87 I132 W133 V134T61-I85 WeakPolarHBondContact CA-O 3.44Å; V62-I85 HydrophobicContact CG2-CG2 3.3Å; V62-I85 PolarHBondContact N-O 2.65Å; V62-I85 VanDerWaalsContact N-O 3.16Å; V62-I85 PolarHBondContact O-N 3.16Å; I85-F87 HydrophobicContact CD1-CD1 4.44Å; I85-F87 HydrophobicContact CD1-CE1 3.53Å; I85-F87 HydrophobicContact CD1-CE2 4.31Å; I85-F87 HydrophobicContact CD1-CZ 3.46Å; I85-F87 VanDerWaalsContact CD1-CZ 3.46Å; I85-F87 HydrophobicContact CG1-CD1 4.46Å; I85-F87 HydrophobicContact CG1-CE1 3.97Å; I85-F87 HydrophobicContact CG1-CE2 4.33Å; I85-F87 HydrophobicContact CG1-CZ 3.9Å; I85-F87 HydrophobicContact CG2-CE2 3.9Å; I85-F87 HydrophobicContact CG2-CZ 4.06Å; I85-I132 HydrophobicContact CD1-CG2 3.64Å; I85-I132 HydrophobicContact CG1-CG2 3.8Å; I85-W133 WeakPolarHBondContact CA-O 3.48Å; I85-V134 HydrophobicContact CD1-CG2 3.91Å; I85-V134 HydrophobicContact CG1-CG2 4.05Å
86I98.8Very high97.9Very high51 Ų5153.1 Ų53.126%0.26229%0.285SS..EExtended strand (participates in β ladder)trans-119.1117.5178.7-57.8157.5000106.7S59 T61 I132 W133S59-I86 WeakPolarHBondContact OG-CG2 3.42Å; T61-I86 HydrophobicContact CG2-CG1 4.09Å; I86-I132 WeakPolarHBondContact O-CA 3.37Å; I86-W133 HydrophobicContact CB-CB 4.38Å; I86-W133 HydrophobicContact CB-CE3 4.39Å; I86-W133 HydrophobicContact CG2-CE3 4.15Å; I86-W133 PolarHBondContact N-O 3.42Å; I86-W133 PolarHBondContact O-N 3.04Å
87F98.8Very high97.8Very high10 Ų1053.4 Ų53.44%0.04430%0.295CS..EExtended strand (participates in β ladder)trans-96.5137.1169.4-57-68.8000109S59 L60 I85 F127 I129 N131 I132 Y149S59-F87 CarbonylContact C-O 3.46Å; S59-F87 WeakPolarHBondContact CA-O 3.39Å; S59-F87 PolarHBondContact OG-O 3.26Å; L60-F87 HydrophobicContact CB-CB 4.32Å; L60-F87 HydrophobicContact CB-CD2 4.45Å; L60-F87 HydrophobicContact CD2-CD2 4.18Å; L60-F87 HydrophobicContact CG-CD2 4.28Å; L60-F87 PolarHBondContact N-O 2.81Å; L60-F87 PolarHBondContact O-N 3.3Å; I85-F87 HydrophobicContact CD1-CD1 4.44Å; I85-F87 HydrophobicContact CD1-CE1 3.53Å; I85-F87 HydrophobicContact CD1-CE2 4.31Å; I85-F87 HydrophobicContact CD1-CZ 3.46Å; I85-F87 VanDerWaalsContact CD1-CZ 3.46Å; I85-F87 HydrophobicContact CG1-CD1 4.46Å; I85-F87 HydrophobicContact CG1-CE1 3.97Å; I85-F87 HydrophobicContact CG1-CE2 4.33Å; I85-F87 HydrophobicContact CG1-CZ 3.9Å; I85-F87 HydrophobicContact CG2-CE2 3.9Å; I85-F87 HydrophobicContact CG2-CZ 4.06Å; F87-F127 HydrophobicContact CB-CD1 4.31Å; F87-F127 HydrophobicContact CB-CE1 3.77Å; F87-F127 HydrophobicContact CB-CZ 4.23Å; F87-I129 HydrophobicContact CB-CG1 4.31Å; F87-I129 HydrophobicContact CD1-CD1 3.6Å; F87-I129 HydrophobicContact CD1-CG1 3.98Å; F87-I129 HydrophobicContact CD1-CG2 3.93Å; F87-I129 HydrophobicContact CE1-CD1 3.75Å; F87-I129 HydrophobicContact CG-CD1 4.14Å; F87-I129 HydrophobicContact CG-CG1 4.26Å; F87-I129 HydrophobicContact CZ-CD1 4.4Å; F87-N131 WeakPolarHBondContact CA-O 3.42Å; F87-I132 HydrophobicContact CD1-CD1 4.44Å; F87-I132 HydrophobicContact CD1-CG1 4.04Å; F87-I132 HydrophobicContact CD1-CG2 4.04Å; F87-I132 HydrophobicContact CE1-CD1 4.32Å; F87-I132 HydrophobicContact CE1-CG1 4.35Å; F87-I132 HydrophobicContact CE1-CG2 3.95Å; F87-Y149 HydrophobicContact CE1-CE2 4.09Å; F87-Y149 HydrophobicContact CZ-CE2 4.21Å
88C98.7Very high97.7Very high42 Ų4251 Ų5128%0.28428%0.277SS..EExtended strand (participates in β ladder)trans-122.9147.7165.3-174.70000109.2T130 N131 W133C88-T130 PolarHBondContact O-N 3.08Å; C88-T130 PolarHBondContact O-OG1 3.25Å; C88-T130 VanDerWaalsContact O-OG1 3.12Å; C88-N131 HydrophobicContact CB-CB 4.25Å; C88-N131 PolarHBondContact N-O 2.91Å; C88-N131 PolarHBondContact O-N 3.38Å; C88-W133 HydrophobicContact CB-CH2 4.1Å; C88-W133 HydrophobicContact CB-CZ3 3.56Å
89G98.7Very high97.7Very high5 Ų545.4 Ų45.45%0.05225%0.254CS..EExtended strand (participates in β ladder)trans160.9-136.4-17600000109.6N57 A58 N128 T130N57-G89 WeakPolarHBondContact CA-O 3.02Å; A58-G89 PolarHBondContact N-O 3.06Å; A58-G89 PolarHBondContact O-N 3.11Å; A58-G89 VanDerWaalsContact O-N 3.12Å; G89-N128 VanDerWaalsContact CA-O 3.29Å; G89-N128 WeakPolarHBondContact CA-O 3.22Å; G89-T130 WeakPolarHBondContact CA-OG1 3.27Å
90N98.6Very high97.7Very high31 Ų3145.8 Ų45.817%0.16627%0.269CS..EExtended strand (participates in β ladder)trans-143.5148.9-175.163.8-63000113.5S56 V92 N128S56-N90 CarbonylContact O-C 3.59Å; S56-N90 WeakPolarHBondContact O-CA 3.33Å; S56-N90 VanDerWaalsContact O-CB 3.3Å; S56-N90 WeakPolarHBondContact O-CB 3.28Å; N90-V92 WeakPolarHBondContact ND2-CG1 3.32Å; N90-N128 PolarHBondContact N-O 2.96Å; N90-N128 WeakPolarHBondContact O-CB 3.2Å; N90-N128 PolarHBondContact O-N 2.92Å; N90-N128 WeakPolarHBondContact OD1-CB 3.49Å; N90-N128 PolarHBondContact OD1-ND2 2.92Å
91V98.6Very high97.6Very high13 Ų1349.9 Ų49.98%0.07929%0.289CS..EExtended strand (participates in β ladder)trans-91.4129.4174.4-1790000109.4L4 L40 L42 L52 S56 A58 A125 K126 F127L4-V91 HydrophobicContact CD1-CG2 4.33Å; L4-V91 HydrophobicContact CD2-CG2 4.3Å; L40-V91 HydrophobicContact CD1-CG1 4.03Å; L40-V91 HydrophobicContact CD1-CG2 4.26Å; L42-V91 HydrophobicContact CD1-CG1 4.07Å; L52-V91 HydrophobicContact CD1-CB 3.91Å; L52-V91 HydrophobicContact CD1-CG1 4.11Å; L52-V91 HydrophobicContact CD1-CG2 4.01Å; L52-V91 HydrophobicContact CD2-CB 3.98Å; L52-V91 HydrophobicContact CD2-CG2 4.03Å; S56-V91 PolarHBondContact O-N 2.86Å; A58-V91 HydrophobicContact CB-CG2 4.17Å; V91-A125 HydrophobicContact CG1-CB 3.92Å; V91-K126 WeakPolarHBondContact CA-O 3.43Å; V91-F127 HydrophobicContact CG2-CD2 3.89Å; V91-F127 HydrophobicContact CG2-CE2 4.41Å
92V98.1Very high97.7Very high47 Ų4748.2 Ų48.229%0.28528%0.28SS..EExtended strand (participates in β ladder)trans-130.2145.5179.6-61.50000111.2N90 A125 K126N90-V92 WeakPolarHBondContact ND2-CG1 3.32Å; V92-A125 CarbonylContact O-C 3.52Å; V92-A125 WeakPolarHBondContact O-CA 3.06Å; V92-A125 WeakPolarHBondContact O-CB 3.49Å; V92-K126 HydrophobicContact CG2-CD 4.45Å; V92-K126 HydrophobicContact CG2-CG 3.67Å; V92-K126 PolarHBondContact N-O 3.02Å; V92-K126 PolarHBondContact O-N 3.31Å
93K98.1Very high97.7Very high122 Ų12253.3 Ų53.353%0.5330%0.302SS..EExtended strand (participates in β ladder)trans-62136.7169.7-65.7-169.7176.2-178.10109D44 F123D44-K93 IonicContact OD1-NZ 3.35Å; K93-F123 HydrophobicContact CD-CD2 3.98Å; K93-F123 HydrophobicContact CD-CE2 4.1Å; K93-F123 HydrophobicContact CD-CG 4.42Å; K93-F123 HydrophobicContact CG-CD2 3.74Å; K93-F123 HydrophobicContact CG-CE2 3.74Å
94V97.8Very high97.6Very high18 Ų1858.7 Ų58.711%0.10932%0.321CS..PPolyproline II helixtrans-73.3143.5178171.20000109.1Y39 E98 A102 F124 K126Y39-V94 HydrophobicContact CD1-CG2 4.1Å; Y39-V94 HydrophobicContact CE1-CG2 4.19Å; V94-E98 VanDerWaalsContact CG1-C 3.45Å; V94-E98 HydrophobicContact CG1-CB 3.59Å; V94-E98 HydrophobicContact CG1-CG 3.71Å; V94-A102 HydrophobicContact CG1-CB 4.33Å; V94-A102 HydrophobicContact CG2-CB 4.28Å; V94-F124 HydrophobicContact CB-CB 4.1Å; V94-F124 WeakPolarHBondContact CB-O 3.43Å; V94-F124 HydrophobicContact CG2-CB 4.27Å; V94-F124 PolarHBondContact N-O 3.01Å; V94-K126 HydrophobicContact CG2-CB 4.08Å; V94-K126 HydrophobicContact CG2-CD 4.49Å; V94-K126 HydrophobicContact CG2-CG 4.25Å
95N95.4Very high97.6Very high87 Ų8756.9 Ų56.947%0.46531%0.314SS..PPolyproline II helixtrans-84.4166.8176.768.426.2000111.9S97 E98 T99N95-S97 PolarHBondContact O-N 2.95Å; N95-S97 VanDerWaalsContact O-N 3.12Å; N95-S97 PolarHBondContact OD1-N 3.26Å; N95-S97 PolarHBondContact OD1-OG 2.86Å; N95-E98 PolarHBondContact O-N 2.8Å; N95-E98 WeakPolarHBondContact OD1-CB 3.22Å; N95-E98 PolarHBondContact OD1-N 2.96Å; N95-E98 VanDerWaalsContact OD1-N 3.11Å; N95-T99 PolarHBondContact O-N 3.08Å; N95-T99 PolarHBondContact O-OG1 2.74Å; N95-T99 VanDerWaalsContact O-OG1 3.07Å
96D93.9Very high97.6Very high155 Ų15555.3 Ų55.383%0.82931%0.306SS*.Hα-helixtrans-56.5-34.4-176.4-66.2-21.1000113.9E98D96-E98 VanDerWaalsContact C-N 3.28Å; D96-E98 PolarHBondContact O-N 3.46Å
97S95.4Very high97.6Very high105 Ų10553.9 Ų53.973%0.73430%0.298SS*.Hα-helixtrans-68.2-25.1179.361.30000114.1N95N95-S97 PolarHBondContact O-N 2.95Å; N95-S97 VanDerWaalsContact O-N 3.12Å; N95-S97 PolarHBondContact OD1-N 3.26Å; N95-S97 PolarHBondContact OD1-OG 2.86Å
98E96.4Very high97.5Very high25 Ų2555.9 Ų55.912%0.11731%0.313CS..Hα-helixtrans-108.6-12.6-173.9179.8178.4-156.500112.4Y39 V94 N95 D96 G100 L101 A102 K126Y39-E98 HydrophobicContact CE1-CG 3.9Å; Y39-E98 VanDerWaalsContact CE1-OE1 3.28Å; Y39-E98 WeakPolarHBondContact CE1-OE1 3.49Å; Y39-E98 VanDerWaalsContact CZ-OE1 3.32Å; Y39-E98 WeakPolarHBondContact OH-CG 3.15Å; Y39-E98 PolarHBondContact OH-OE1 3.43Å; V94-E98 VanDerWaalsContact CG1-C 3.45Å; V94-E98 HydrophobicContact CG1-CB 3.59Å; V94-E98 HydrophobicContact CG1-CG 3.71Å; N95-E98 PolarHBondContact O-N 2.8Å; N95-E98 WeakPolarHBondContact OD1-CB 3.22Å; N95-E98 PolarHBondContact OD1-N 2.96Å; N95-E98 VanDerWaalsContact OD1-N 3.11Å; D96-E98 VanDerWaalsContact C-N 3.28Å; D96-E98 PolarHBondContact O-N 3.46Å; E98-G100 VanDerWaalsContact C-N 3.27Å; E98-G100 PolarHBondContact O-N 2.9Å; E98-L101 WeakPolarHBondContact O-CA 3.36Å; E98-L101 WeakPolarHBondContact O-CB 3.3Å; E98-L101 PolarHBondContact O-N 3Å; E98-A102 PolarHBondContact O-N 2.88Å; E98-K126 IonicContact OE1-NZ 2.7Å; E98-K126 PolarHBondContact OE1-NZ 2.91Å; E98-K126 WeakPolarHBondContact OE2-CE 3.28Å; E98-K126 IonicContact OE2-NZ 3.98Å; E98-K126 PolarHBondContact OE2-NZ 2.85Å
99T97.4Very high97.5Very high45 Ų4558.9 Ų58.928%0.27632%0.318SS..Hα-helixtrans-52.1-41.5178-69.10000113.2N95 L101 A102 K103 F124N95-T99 PolarHBondContact O-N 3.08Å; N95-T99 PolarHBondContact O-OG1 2.74Å; N95-T99 VanDerWaalsContact O-OG1 3.07Å; T99-L101 VanDerWaalsContact C-N 3.32Å; T99-L101 PolarHBondContact O-N 2.82Å; T99-A102 PolarHBondContact O-N 2.99Å; T99-K103 VanDerWaalsContact O-CB 3.27Å; T99-K103 WeakPolarHBondContact O-CB 3.1Å; T99-K103 PolarHBondContact O-N 3.45Å; T99-F124 HydrophobicContact CG2-CD2 3.87Å; T99-F124 HydrophobicContact CG2-CE2 4.21Å
100G97.8Very high97.5Very high53 Ų5360.5 Ų60.555%0.54632%0.324SS..Hα-helixtrans-63.3-36.8177.400000113.2E98 K104E98-G100 VanDerWaalsContact C-N 3.27Å; E98-G100 PolarHBondContact O-N 2.9Å; G100-K104 WeakPolarHBondContact O-CB 3.22Å; G100-K104 PolarHBondContact O-N 2.98Å; G100-K104 VanDerWaalsContact O-N 3.12Å
101L96.6Very high97.4Very high108 Ų10863.4 Ų63.457%0.56535%0.345SS*.Hα-helixtrans-71.4-48.7177.6-61.1174.5000110.7E98 T99 K103 K104 A105E98-L101 WeakPolarHBondContact O-CA 3.36Å; E98-L101 WeakPolarHBondContact O-CB 3.3Å; E98-L101 PolarHBondContact O-N 3Å; T99-L101 VanDerWaalsContact C-N 3.32Å; T99-L101 PolarHBondContact O-N 2.82Å; L101-K103 PolarHBondContact O-N 3.01Å; L101-K104 PolarHBondContact O-N 3.36Å; L101-A105 WeakPolarHBondContact O-CB 3.22Å; L101-A105 PolarHBondContact O-N 3.41Å
102A98.3Very high97.4Very high0 Ų069.3 Ų69.30%037%0.372CS..Hα-helixtrans-58.2-47.9178.100000111.4Y39 V94 E98 T99 K104 A105 L106 F124Y39-A102 HydrophobicContact CD1-CB 3.45Å; Y39-A102 VanDerWaalsContact CD1-CB 3.45Å; Y39-A102 HydrophobicContact CE1-CB 3.84Å; Y39-A102 HydrophobicContact CG-CB 3.85Å; V94-A102 HydrophobicContact CG1-CB 4.33Å; V94-A102 HydrophobicContact CG2-CB 4.28Å; E98-A102 PolarHBondContact O-N 2.88Å; T99-A102 PolarHBondContact O-N 2.99Å; A102-K104 PolarHBondContact O-N 2.78Å; A102-A105 PolarHBondContact O-N 3.05Å; A102-L106 WeakPolarHBondContact O-CB 3.43Å; A102-L106 WeakPolarHBondContact O-CD1 3.24Å; A102-L106 PolarHBondContact O-N 2.7Å; A102-F124 HydrophobicContact CB-CB 3.95Å; A102-F124 HydrophobicContact CB-CD1 4.08Å; A102-F124 HydrophobicContact CB-CG 4.12Å
103K98.3Very high97.4Very high106 Ų10667.2 Ų67.246%0.46136%0.359SS..Hα-helixtrans-57.4-49.6176.3-178.2173.9179.1177.50111.7T99 L101 A105 L106 F107 F124T99-K103 VanDerWaalsContact O-CB 3.27Å; T99-K103 WeakPolarHBondContact O-CB 3.1Å; T99-K103 PolarHBondContact O-N 3.45Å; L101-K103 PolarHBondContact O-N 3.01Å; K103-A105 PolarHBondContact O-N 3.16Å; K103-L106 PolarHBondContact O-N 3.43Å; K103-F107 HydrophobicContact CD-CD2 4.37Å; K103-F107 HydrophobicContact CD-CE2 4.26Å; K103-F107 HydrophobicContact CG-CD2 3.75Å; K103-F107 HydrophobicContact CG-CE2 3.94Å; K103-F107 HydrophobicContact CG-CG 4.2Å; K103-F107 HydrophobicContact CG-CZ 4.47Å; K103-F107 WeakPolarHBondContact O-CB 3.48Å; K103-F107 PolarHBondContact O-N 2.94Å; K103-F124 HydrophobicContact CB-CE1 3.9Å; K103-F124 HydrophobicContact CB-CE2 3.99Å; K103-F124 HydrophobicContact CB-CZ 3.53Å; K103-F124 HydrophobicContact CD-CZ 4.21Å; K103-F124 HydrophobicContact CG-CE1 4.33Å; K103-F124 HydrophobicContact CG-CE2 4.39Å; K103-F124 HydrophobicContact CG-CZ 3.72Å
104K97.8Very high97.4Very high136 Ų13667.9 Ų67.959%0.59136%0.364SS*.Hα-helixtrans-60.9-45.5178.9-176179.1178.9-1770111.3G100 L101 A102 S108G100-K104 WeakPolarHBondContact O-CB 3.22Å; G100-K104 PolarHBondContact O-N 2.98Å; G100-K104 VanDerWaalsContact O-N 3.12Å; L101-K104 PolarHBondContact O-N 3.36Å; A102-K104 PolarHBondContact O-N 2.78Å; K104-S108 WeakPolarHBondContact O-CB 3.37Å; K104-S108 PolarHBondContact O-N 2.92Å; K104-S108 PolarHBondContact O-OG 3.18Å
105A98Very high97.4Very high3 Ų371.4 Ų71.43%0.02539%0.389CS..Hα-helixtrans-60.3-48.3179.200000111.7S25 Y39 L101 A102 K103 S108S25-A105 WeakPolarHBondContact CB-O 3.29Å; S25-A105 PolarHBondContact OG-O 3.11Å; Y39-A105 HydrophobicContact CD2-CB 3.87Å; Y39-A105 HydrophobicContact CE2-CB 4.47Å; L101-A105 WeakPolarHBondContact O-CB 3.22Å; L101-A105 PolarHBondContact O-N 3.41Å; A102-A105 PolarHBondContact O-N 3.05Å; K103-A105 PolarHBondContact O-N 3.16Å; A105-S108 PolarHBondContact O-OG 3.41Å
106L98.6Very high97.5Very high0 Ų070.2 Ų70.20%038%0.378CS..Hα-helixtrans-71.9-52.3-176.4-78.1156.5000112.2Y39 L40 A102 K103 S108 R109 H110 M113 F124Y39-L106 WeakPolarHBondContact O-CD2 3.38Å; L40-L106 WeakPolarHBondContact O-CD1 3.12Å; A102-L106 WeakPolarHBondContact O-CB 3.43Å; A102-L106 WeakPolarHBondContact O-CD1 3.24Å; A102-L106 PolarHBondContact O-N 2.7Å; K103-L106 PolarHBondContact O-N 3.43Å; L106-S108 VanDerWaalsContact C-N 3.35Å; L106-S108 PolarHBondContact O-N 3.45Å; L106-R109 PolarHBondContact O-N 3.46Å; L106-R109 VanDerWaalsContact O-N 3.09Å; L106-H110 WeakPolarHBondContact O-CB 3Å; L106-H110 PolarHBondContact O-N 3.46Å; L106-M113 HydrophobicContact CB-SD 4.07Å; L106-M113 HydrophobicContact CD2-CE 4.15Å; L106-M113 HydrophobicContact CD2-SD 4.09Å; L106-F124 HydrophobicContact CD1-CD1 3.6Å; L106-F124 HydrophobicContact CD1-CE1 3.98Å
107F98.4Very high97.7Very high21 Ų2165.7 Ų65.79%0.09236%0.358CS..Hα-helixtrans-73.4-28.9-171.4-69.26.9000112.2Y41 K103 R109 H110 P111 M113 E114 F124Y41-F107 AromaticContact CD1-CE1 3.97Å; Y41-F107 HydrophobicContact CD1-CE1 3.97Å; Y41-F107 AromaticContact CE1-CE1 3.85Å; Y41-F107 HydrophobicContact CE1-CE1 3.85Å; Y41-F107 AromaticContact CE1-CZ 3.93Å; Y41-F107 HydrophobicContact CE1-CZ 3.93Å; Y41-F107 HydrophobicContact CE2-CE1 4.48Å; Y41-F107 HydrophobicContact CE2-CZ 4.47Å; Y41-F107 HydrophobicContact CG-CE1 4.33Å; Y41-F107 AromaticContact CZ-CZ 3.9Å; K103-F107 HydrophobicContact CD-CD2 4.37Å; K103-F107 HydrophobicContact CD-CE2 4.26Å; K103-F107 HydrophobicContact CG-CD2 3.75Å; K103-F107 HydrophobicContact CG-CE2 3.94Å; K103-F107 HydrophobicContact CG-CG 4.2Å; K103-F107 HydrophobicContact CG-CZ 4.47Å; K103-F107 WeakPolarHBondContact O-CB 3.48Å; K103-F107 PolarHBondContact O-N 2.94Å; F107-R109 VanDerWaalsContact C-N 3.26Å; F107-R109 PolarHBondContact O-N 3.29Å; F107-H110 CarbonylContact O-C 3.51Å; F107-P111 VanDerWaalsContact O-CA 3.27Å; F107-P111 WeakPolarHBondContact O-CA 3.22Å; F107-M113 HydrophobicContact CD1-CB 3.65Å; F107-M113 HydrophobicContact CD1-SD 4.29Å; F107-M113 HydrophobicContact CE1-CB 3.51Å; F107-M113 HydrophobicContact CE1-SD 4.39Å; F107-M113 HydrophobicContact CZ-CB 4.35Å; F107-E114 HydrophobicContact CB-CG 4.08Å; F107-E114 HydrophobicContact CD2-CB 4.45Å; F107-E114 HydrophobicContact CD2-CG 3.24Å; F107-E114 HydrophobicContact CE2-CB 4.5Å; F107-E114 HydrophobicContact CE2-CG 3.68Å; F107-E114 HydrophobicContact CG-CG 3.8Å; F107-F124 AromaticContact CE1-CE1 3.97Å; F107-F124 HydrophobicContact CE1-CE1 3.97Å; F107-F124 HydrophobicContact CE1-CZ 4.08Å; F107-F124 HydrophobicContact CZ-CE1 4.32Å; F107-F124 AromaticContact CZ-CZ 3.95Å; F107-F124 HydrophobicContact CZ-CZ 3.95Å
108S97.4Very high97.7Very high52 Ų5269.9 Ų69.936%0.36436%0.362SS..Hα-helixtrans-68.7-25.7171.363.50000113.3P28 K104 A105 L106P28-S108 WeakPolarHBondContact CA-OG 3.01Å; K104-S108 WeakPolarHBondContact O-CB 3.37Å; K104-S108 PolarHBondContact O-N 2.92Å; K104-S108 PolarHBondContact O-OG 3.18Å; A105-S108 PolarHBondContact O-OG 3.41Å; L106-S108 VanDerWaalsContact C-N 3.35Å; L106-S108 PolarHBondContact O-N 3.45Å
109R97.8Very high97.7Very high104 Ų10474.6 Ų74.639%0.39239%0.388SS..Hα-helixtrans-92.1-33.5177.8-170.563.959.8818.6112.6S25 D26 G27 L106 F107S25-R109 WeakPolarHBondContact OG-CB 3.38Å; D26-R109 IonicContact OD1-NH2 3.58Å; G27-R109 PolarHBondContact O-NH2 3.42Å; L106-R109 PolarHBondContact O-N 3.46Å; L106-R109 VanDerWaalsContact O-N 3.09Å; F107-R109 VanDerWaalsContact C-N 3.26Å; F107-R109 PolarHBondContact O-N 3.29Å
110H98.1Very high97.7Very high39 Ų3975.5 Ų75.518%0.18139%0.389CS..  trans-130.272.1-174.6-54.3-74.2000109L24 L106 F107 E112 M113L24-H110 PolarHBondContact O-NE2 2.83Å; L106-H110 WeakPolarHBondContact O-CB 3Å; L106-H110 PolarHBondContact O-N 3.46Å; F107-H110 CarbonylContact O-C 3.51Å; H110-E112 PolarHBondContact O-N 2.02Å; H110-E112 VanDerWaalsContact O-N 3.09Å; H110-M113 HydrophobicContact CB-CE 3.84Å; H110-M113 HydrophobicContact CB-CG 3.82Å; H110-M113 HydrophobicContact CB-SD 3.68Å; H110-M113 WeakPolarHBondContact O-CB 3.34Å; H110-M113 PolarHBondContact O-N 3.35Å
111P98.1Very high97.6Very high93 Ų9378.8 Ų78.860%0.60440%0.395SS*.G310 helixtrans-60.5-24.2-174.323.3-34.3000113.4F107 M113 E114F107-P111 VanDerWaalsContact O-CA 3.27Å; F107-P111 WeakPolarHBondContact O-CA 3.22Å; P111-M113 PolarHBondContact O-N 3.15Å; P111-E114 WeakPolarHBondContact O-CB 3.32Å; P111-E114 PolarHBondContact O-N 3.11Å
112E98.3Very high97.7Very high136 Ų13676.4 Ų76.464%0.63638%0.378SS*.G310 helixtrans-58.4-30.2174.5-167.9-173.3159.500112.9H110 E114 S115 W116H110-E112 PolarHBondContact O-N 2.02Å; H110-E112 VanDerWaalsContact O-N 3.09Å; E112-E114 PolarHBondContact O-N 2.79Å; E112-E114 VanDerWaalsContact O-N 3.13Å; E112-S115 PolarHBondContact O-N 3.06Å; E112-S115 PolarHBondContact O-OG 2.88Å; E112-W116 VanDerWaalsContact O-CD1 3.25Å
113M98.4Very high97.7Very high4 Ų478.1 Ų78.12%0.0239%0.385CS..G310 helixtrans-60-25.5180-69.6-180172.300113.1S23 Y41 L106 F107 H110 P111 S115 W116S23-M113 VanDerWaalsContact CB-CE 3.42Å; Y41-M113 HydrophobicContact CD1-CB 4.07Å; Y41-M113 HydrophobicContact CD1-CG 4.21Å; Y41-M113 HydrophobicContact CD1-SD 4.15Å; Y41-M113 HydrophobicContact CE1-CB 4.41Å; Y41-M113 HydrophobicContact CG-SD 4.37Å; L106-M113 HydrophobicContact CB-SD 4.07Å; L106-M113 HydrophobicContact CD2-CE 4.15Å; L106-M113 HydrophobicContact CD2-SD 4.09Å; F107-M113 HydrophobicContact CD1-CB 3.65Å; F107-M113 HydrophobicContact CD1-SD 4.29Å; F107-M113 HydrophobicContact CE1-CB 3.51Å; F107-M113 HydrophobicContact CE1-SD 4.39Å; F107-M113 HydrophobicContact CZ-CB 4.35Å; H110-M113 HydrophobicContact CB-CE 3.84Å; H110-M113 HydrophobicContact CB-CG 3.82Å; H110-M113 HydrophobicContact CB-SD 3.68Å; H110-M113 WeakPolarHBondContact O-CB 3.34Å; H110-M113 PolarHBondContact O-N 3.35Å; P111-M113 PolarHBondContact O-N 3.15Å; M113-S115 PolarHBondContact O-N 3.1Å; M113-W116 HydrophobicContact CB-CD2 4.29Å; M113-W116 HydrophobicContact CB-CE3 4.4Å; M113-W116 HydrophobicContact CE-CH2 3.68Å; M113-W116 HydrophobicContact CE-CZ2 4.29Å; M113-W116 HydrophobicContact CE-CZ3 4.17Å; M113-W116 HydrophobicContact CG-CD2 4.1Å; M113-W116 HydrophobicContact CG-CE3 4.08Å; M113-W116 HydrophobicContact CG-CH2 3.76Å; M113-W116 HydrophobicContact CG-CZ2 3.74Å; M113-W116 HydrophobicContact CG-CZ3 3.92Å; M113-W116 PolarHBondContact O-N 3Å; M113-W116 HydrophobicContact SD-CH2 4.44Å
114E97.5Very high97.7Very high135 Ų13574.4 Ų74.463%0.63137%0.37SS*.G310 helixtrans-64.2-26.3174.5-71.8-174.6-165.800112.9F107 P111 E112F107-E114 HydrophobicContact CB-CG 4.08Å; F107-E114 HydrophobicContact CD2-CB 4.45Å; F107-E114 HydrophobicContact CD2-CG 3.24Å; F107-E114 HydrophobicContact CE2-CB 4.5Å; F107-E114 HydrophobicContact CE2-CG 3.68Å; F107-E114 HydrophobicContact CG-CG 3.8Å; P111-E114 WeakPolarHBondContact O-CB 3.32Å; P111-E114 PolarHBondContact O-N 3.11Å; E112-E114 PolarHBondContact O-N 2.79Å; E112-E114 VanDerWaalsContact O-N 3.13Å
115S97.9Very high97.8Very high92 Ų9268 Ų6864%0.64334%0.341SS*.G310 helixtrans-98.9-1.8-176.471.70000113.9E112 M113E112-S115 PolarHBondContact O-N 3.06Å; E112-S115 PolarHBondContact O-OG 2.88Å; M113-S115 PolarHBondContact O-N 3.1Å
116W98Very high97.8Very high62 Ų6270.2 Ų70.224%0.23535%0.351CS..SBendtrans-62.5149.8-179.6-73.30.7000112.2Y41 E112 M113 K118 W122Y41-W116 AromaticContact CD1-CE3 3.62Å; Y41-W116 HydrophobicContact CD1-CE3 3.62Å; Y41-W116 AromaticContact CD1-CZ3 3.77Å; Y41-W116 HydrophobicContact CD1-CZ3 3.77Å; Y41-W116 HydrophobicContact CE1-CE3 4.04Å; E112-W116 VanDerWaalsContact O-CD1 3.25Å; M113-W116 HydrophobicContact CB-CD2 4.29Å; M113-W116 HydrophobicContact CB-CE3 4.4Å; M113-W116 HydrophobicContact CE-CH2 3.68Å; M113-W116 HydrophobicContact CE-CZ2 4.29Å; M113-W116 HydrophobicContact CE-CZ3 4.17Å; M113-W116 HydrophobicContact CG-CD2 4.1Å; M113-W116 HydrophobicContact CG-CE3 4.08Å; M113-W116 HydrophobicContact CG-CH2 3.76Å; M113-W116 HydrophobicContact CG-CZ2 3.74Å; M113-W116 HydrophobicContact CG-CZ3 3.92Å; M113-W116 PolarHBondContact O-N 3Å; M113-W116 HydrophobicContact SD-CH2 4.44Å; W116-K118 PolarHBondContact O-N 3.16Å; W116-W122 HydrophobicContact CB-CZ2 4.09Å; W116-W122 HydrophobicContact CD2-CH2 4.11Å; W116-W122 AromaticContact CD2-CZ2 3.99Å; W116-W122 HydrophobicContact CD2-CZ2 3.99Å; W116-W122 AromaticContact CE3-CD2 3.85Å; W116-W122 HydrophobicContact CE3-CD2 3.85Å; W116-W122 AromaticContact CE3-CE2 3.72Å; W116-W122 AromaticContact CE3-CE3 3.68Å; W116-W122 HydrophobicContact CE3-CE3 3.68Å; W116-W122 AromaticContact CE3-CH2 3.32Å; W116-W122 HydrophobicContact CE3-CH2 3.32Å; W116-W122 AromaticContact CE3-CZ2 3.48Å; W116-W122 HydrophobicContact CE3-CZ2 3.48Å; W116-W122 VanDerWaalsContact CE3-CZ2 3.48Å; W116-W122 AromaticContact CE3-CZ3 3.42Å; W116-W122 HydrophobicContact CE3-CZ3 3.42Å; W116-W122 VanDerWaalsContact CE3-CZ3 3.42Å; W116-W122 HydrophobicContact CG-CZ2 4.3Å; W116-W122 HydrophobicContact CH2-CH2 4.4Å; W116-W122 HydrophobicContact CH2-CZ3 4.39Å; W116-W122 HydrophobicContact CZ3-CD2 4.45Å; W116-W122 AromaticContact CZ3-CE3 3.81Å; W116-W122 HydrophobicContact CZ3-CE3 3.81Å; W116-W122 AromaticContact CZ3-CH2 3.5Å; W116-W122 HydrophobicContact CZ3-CH2 3.5Å; W116-W122 VanDerWaalsContact CZ3-CH2 3.5Å; W116-W122 HydrophobicContact CZ3-CZ2 4.16Å; W116-W122 AromaticContact CZ3-CZ3 3.29Å; W116-W122 HydrophobicContact CZ3-CZ3 3.29Å
117P97.8Very high97.8Very high61 Ų6170.3 Ų70.340%0.39635%0.351SS..  trans-59124.9-173.9-2433.7000112.3D119 H120 W122P117-D119 VanDerWaalsContact C-N 3.29Å; P117-D119 VanDerWaalsContact CB-OD1 3.24Å; P117-D119 WeakPolarHBondContact CB-OD1 3.3Å; P117-D119 PolarHBondContact O-N 2.82Å; P117-H120 PolarHBondContact O-N 3.29Å; P117-W122 PolarHBondContact O-NE1 2.9Å
118K94.6Very high97.8Very high192 Ų19272.7 Ų72.784%0.83537%0.365SS*.G310 helixtrans-70.7-25.6-173.8-65.9-178.4-179.3177.10113.3W116 H120 N121W116-K118 PolarHBondContact O-N 3.16Å; K118-H120 PolarHBondContact O-N 2.89Å; K118-N121 PolarHBondContact O-N 2.81Å
119D96.2Very high97.9Very high124 Ų12470.5 Ų70.566%0.66335%0.349SS*.G310 helixtrans-74.1-5.917959.2-30.9000113.6P117 N121P117-D119 VanDerWaalsContact C-N 3.29Å; P117-D119 VanDerWaalsContact CB-OD1 3.24Å; P117-D119 WeakPolarHBondContact CB-OD1 3.3Å; P117-D119 PolarHBondContact O-N 2.82Å; D119-N121 VanDerWaalsContact C-N 3.29Å; D119-N121 PolarHBondContact O-N 3.12Å
120H97.1Very high97.9Very high64 Ų6468.6 Ų68.630%0.29635%0.349SS..G310 helixtrans-84.24.5173.3-68.4-161.3000113.7T43 L45 P117 K118 W122T43-H120 WeakPolarHBondContact CB-O 3.35Å; T43-H120 PolarHBondContact OG1-O 2.92Å; L45-H120 HydrophobicContact CD1-CB 4Å; P117-H120 PolarHBondContact O-N 3.29Å; K118-H120 PolarHBondContact O-N 2.89Å; H120-W122 HydrophobicContact CB-CZ2 4.26Å; H120-W122 AromaticContact ND1-CZ2 3.96Å; H120-W122 PolarHBondContact O-N 3.12Å
121N96.8Very high97.9Very high123 Ų12370.3 Ų70.366%0.65836%0.36SS*.  trans52.347.9174.6-58.1-50.8000114.3K118 D119K118-N121 PolarHBondContact O-N 2.81Å; D119-N121 VanDerWaalsContact C-N 3.29Å; D119-N121 PolarHBondContact O-N 3.12Å
122W98.3Very high98Very high58 Ų5866 Ų6622%0.2233%0.331CS..  trans-62.9143.1-178.9-59.294.6000113.3Y41 L42 T43 W116 P117 H120Y41-W122 HydrophobicContact CD1-CB 4.32Å; Y41-W122 HydrophobicContact CD1-CD2 4.29Å; Y41-W122 HydrophobicContact CD1-CE3 4.09Å; Y41-W122 HydrophobicContact CD1-CG 4.41Å; Y41-W122 HydrophobicContact CD2-CB 4.26Å; Y41-W122 HydrophobicContact CE1-CB 3.65Å; Y41-W122 HydrophobicContact CE1-CD2 4.07Å; Y41-W122 HydrophobicContact CE1-CE3 4.33Å; Y41-W122 AromaticContact CE1-CG 3.78Å; Y41-W122 HydrophobicContact CE1-CG 3.78Å; Y41-W122 HydrophobicContact CE2-CB 3.56Å; Y41-W122 HydrophobicContact CG-CE3 4.49Å; Y41-W122 AromaticContact CZ-CG 3.85Å; Y41-W122 VanDerWaalsContact OH-CB 3.29Å; Y41-W122 WeakPolarHBondContact OH-CB 3.2Å; L42-W122 CarbonylContact O-C 3.45Å; L42-W122 VanDerWaalsContact O-CA 3.22Å; L42-W122 WeakPolarHBondContact O-CA 3.47Å; T43-W122 HydrophobicContact CG2-CE3 3.98Å; T43-W122 HydrophobicContact CG2-CH2 3.8Å; T43-W122 HydrophobicContact CG2-CZ2 4.36Å; T43-W122 HydrophobicContact CG2-CZ3 3.59Å; W116-W122 HydrophobicContact CB-CZ2 4.09Å; W116-W122 HydrophobicContact CD2-CH2 4.11Å; W116-W122 AromaticContact CD2-CZ2 3.99Å; W116-W122 HydrophobicContact CD2-CZ2 3.99Å; W116-W122 AromaticContact CE3-CD2 3.85Å; W116-W122 HydrophobicContact CE3-CD2 3.85Å; W116-W122 AromaticContact CE3-CE2 3.72Å; W116-W122 AromaticContact CE3-CE3 3.68Å; W116-W122 HydrophobicContact CE3-CE3 3.68Å; W116-W122 AromaticContact CE3-CH2 3.32Å; W116-W122 HydrophobicContact CE3-CH2 3.32Å; W116-W122 AromaticContact CE3-CZ2 3.48Å; W116-W122 HydrophobicContact CE3-CZ2 3.48Å; W116-W122 VanDerWaalsContact CE3-CZ2 3.48Å; W116-W122 AromaticContact CE3-CZ3 3.42Å; W116-W122 HydrophobicContact CE3-CZ3 3.42Å; W116-W122 VanDerWaalsContact CE3-CZ3 3.42Å; W116-W122 HydrophobicContact CG-CZ2 4.3Å; W116-W122 HydrophobicContact CH2-CH2 4.4Å; W116-W122 HydrophobicContact CH2-CZ3 4.39Å; W116-W122 HydrophobicContact CZ3-CD2 4.45Å; W116-W122 AromaticContact CZ3-CE3 3.81Å; W116-W122 HydrophobicContact CZ3-CE3 3.81Å; W116-W122 AromaticContact CZ3-CH2 3.5Å; W116-W122 HydrophobicContact CZ3-CH2 3.5Å; W116-W122 VanDerWaalsContact CZ3-CH2 3.5Å; W116-W122 HydrophobicContact CZ3-CZ2 4.16Å; W116-W122 AromaticContact CZ3-CZ3 3.29Å; W116-W122 HydrophobicContact CZ3-CZ3 3.29Å; P117-W122 PolarHBondContact O-NE1 2.9Å; H120-W122 HydrophobicContact CB-CZ2 4.26Å; H120-W122 AromaticContact ND1-CZ2 3.96Å; H120-W122 PolarHBondContact O-N 3.12Å
123F98.5Very high98Very high35 Ų3563 Ų6315%0.15431%0.314CS..EExtended strand (participates in β ladder)trans-135156.2176.262.7-88.9000111.8Y41 L42 D44 V49 K93 A125Y41-F123 WeakPolarHBondContact CD2-O 3.49Å; L42-F123 HydrophobicContact CB-CD2 4.34Å; L42-F123 HydrophobicContact CB-CE1 4.04Å; L42-F123 HydrophobicContact CB-CE2 3.74Å; L42-F123 HydrophobicContact CB-CZ 3.58Å; L42-F123 HydrophobicContact CD1-CE2 4.21Å; L42-F123 HydrophobicContact CD1-CZ 4.42Å; L42-F123 PolarHBondContact N-O 3.19Å; L42-F123 WeakPolarHBondContact O-CD1 3.47Å; L42-F123 PolarHBondContact O-N 3.37Å; D44-F123 WeakPolarHBondContact OD1-CE1 3.13Å; V49-F123 HydrophobicContact CG1-CE1 4.25Å; V49-F123 HydrophobicContact CG1-CZ 3.83Å; K93-F123 HydrophobicContact CD-CD2 3.98Å; K93-F123 HydrophobicContact CD-CE2 4.1Å; K93-F123 HydrophobicContact CD-CG 4.42Å; K93-F123 HydrophobicContact CG-CD2 3.74Å; K93-F123 HydrophobicContact CG-CE2 3.74Å; F123-A125 HydrophobicContact CD2-CB 4.37Å; F123-A125 HydrophobicContact CE2-CB 4.11Å
124F98.7Very high98Very high29 Ų2964.1 Ų64.113%0.12732%0.321CS..EExtended strand (participates in β ladder)trans-86.8133.5174.7-62.8-74.3000110.2Y41 V94 T99 A102 K103 L106 F107Y41-F124 AromaticContact CD2-CD1 3.53Å; Y41-F124 HydrophobicContact CD2-CD1 3.53Å; Y41-F124 AromaticContact CD2-CE1 3.38Å; Y41-F124 HydrophobicContact CD2-CE1 3.38Å; Y41-F124 HydrophobicContact CD2-CE2 4.45Å; Y41-F124 HydrophobicContact CD2-CG 4.14Å; Y41-F124 AromaticContact CD2-CZ 3.88Å; Y41-F124 HydrophobicContact CD2-CZ 3.88Å; Y41-F124 HydrophobicContact CE2-CD1 4Å; Y41-F124 HydrophobicContact CE2-CD2 4.32Å; Y41-F124 AromaticContact CE2-CE1 3.57Å; Y41-F124 HydrophobicContact CE2-CE1 3.57Å; Y41-F124 AromaticContact CE2-CE2 3.93Å; Y41-F124 HydrophobicContact CE2-CE2 3.93Å; Y41-F124 HydrophobicContact CE2-CG 4.36Å; Y41-F124 AromaticContact CE2-CZ 3.53Å; Y41-F124 HydrophobicContact CE2-CZ 3.53Å; Y41-F124 HydrophobicContact CG-CD1 4.46Å; Y41-F124 HydrophobicContact CG-CE1 4.18Å; V94-F124 HydrophobicContact CB-CB 4.1Å; V94-F124 WeakPolarHBondContact CB-O 3.43Å; V94-F124 HydrophobicContact CG2-CB 4.27Å; V94-F124 PolarHBondContact N-O 3.01Å; T99-F124 HydrophobicContact CG2-CD2 3.87Å; T99-F124 HydrophobicContact CG2-CE2 4.21Å; A102-F124 HydrophobicContact CB-CB 3.95Å; A102-F124 HydrophobicContact CB-CD1 4.08Å; A102-F124 HydrophobicContact CB-CG 4.12Å; K103-F124 HydrophobicContact CB-CE1 3.9Å; K103-F124 HydrophobicContact CB-CE2 3.99Å; K103-F124 HydrophobicContact CB-CZ 3.53Å; K103-F124 HydrophobicContact CD-CZ 4.21Å; K103-F124 HydrophobicContact CG-CE1 4.33Å; K103-F124 HydrophobicContact CG-CE2 4.39Å; K103-F124 HydrophobicContact CG-CZ 3.72Å; L106-F124 HydrophobicContact CD1-CD1 3.6Å; L106-F124 HydrophobicContact CD1-CE1 3.98Å; F107-F124 AromaticContact CE1-CE1 3.97Å; F107-F124 HydrophobicContact CE1-CE1 3.97Å; F107-F124 HydrophobicContact CE1-CZ 4.08Å; F107-F124 HydrophobicContact CZ-CE1 4.32Å; F107-F124 AromaticContact CZ-CZ 3.95Å; F107-F124 HydrophobicContact CZ-CZ 3.95Å
125A98.7Very high98Very high0 Ų059.6 Ų59.60%030%0.301CS..EExtended strand (participates in β ladder)trans-128.8164.7174.800000110.3Y39 L40 L42 V91 V92 F123Y39-A125 CarbonylContact C-O 3.5Å; Y39-A125 WeakPolarHBondContact CA-O 3.27Å; L40-A125 HydrophobicContact CB-CB 4.27Å; L40-A125 PolarHBondContact N-O 3.07Å; L40-A125 PolarHBondContact O-N 3.4Å; L42-A125 HydrophobicContact CD1-CB 3.62Å; L42-A125 HydrophobicContact CG-CB 4.26Å; V91-A125 HydrophobicContact CG1-CB 3.92Å; V92-A125 CarbonylContact O-C 3.52Å; V92-A125 WeakPolarHBondContact O-CA 3.06Å; V92-A125 WeakPolarHBondContact O-CB 3.49Å; F123-A125 HydrophobicContact CD2-CB 4.37Å; F123-A125 HydrophobicContact CE2-CB 4.11Å
126K98.6Very high98Very high51 Ų5157.9 Ų57.922%0.22229%0.285CS..EExtended strand (participates in β ladder)trans-134.4151.1171.268.9-178.1-177.8-173.40111.1V37 P38 Y39 V91 V92 V94 E98V37-K126 HydrophobicContact CG1-CB 3.99Å; V37-K126 HydrophobicContact CG1-CD 4.13Å; P38-K126 CarbonylContact O-C 3.45Å; P38-K126 WeakPolarHBondContact O-CA 3.38Å; Y39-K126 HydrophobicContact CD1-CB 3.8Å; Y39-K126 HydrophobicContact CE1-CB 3.98Å; Y39-K126 HydrophobicContact CE1-CD 4.36Å; V91-K126 WeakPolarHBondContact CA-O 3.43Å; V92-K126 HydrophobicContact CG2-CD 4.45Å; V92-K126 HydrophobicContact CG2-CG 3.67Å; V92-K126 PolarHBondContact N-O 3.02Å; V92-K126 PolarHBondContact O-N 3.31Å; V94-K126 HydrophobicContact CG2-CB 4.08Å; V94-K126 HydrophobicContact CG2-CD 4.49Å; V94-K126 HydrophobicContact CG2-CG 4.25Å; E98-K126 IonicContact OE1-NZ 2.7Å; E98-K126 PolarHBondContact OE1-NZ 2.91Å; E98-K126 WeakPolarHBondContact OE2-CE 3.28Å; E98-K126 IonicContact OE2-NZ 3.98Å; E98-K126 PolarHBondContact OE2-NZ 2.85Å
127F98.8Very high98Very high1 Ų161.7 Ų61.70%0.00430%0.3CS..EExtended strand (participates in β ladder)trans-86.3110.8169.1-163.1-75.9000109.1L4 P38 A58 L60 F87 V91 I129L4-F127 HydrophobicContact CD1-CD2 3.79Å; L4-F127 HydrophobicContact CD1-CE2 3.64Å; P38-F127 HydrophobicContact CB-CB 3.94Å; P38-F127 HydrophobicContact CG-CB 3.98Å; P38-F127 PolarHBondContact O-N 3.24Å; A58-F127 HydrophobicContact CB-CE2 3.8Å; A58-F127 HydrophobicContact CB-CZ 4.46Å; A58-F127 WeakPolarHBondContact O-CZ 3.2Å; L60-F127 HydrophobicContact CB-CD2 3.87Å; L60-F127 HydrophobicContact CB-CE2 3.6Å; L60-F127 HydrophobicContact CB-CG 4.49Å; L60-F127 HydrophobicContact CB-CZ 4.03Å; L60-F127 HydrophobicContact CD2-CD2 4.28Å; L60-F127 HydrophobicContact CD2-CG 4.38Å; F87-F127 HydrophobicContact CB-CD1 4.31Å; F87-F127 HydrophobicContact CB-CE1 3.77Å; F87-F127 HydrophobicContact CB-CZ 4.23Å; V91-F127 HydrophobicContact CG2-CD2 3.89Å; V91-F127 HydrophobicContact CG2-CE2 4.41Å; F127-I129 HydrophobicContact CD1-CG1 3.76Å; F127-I129 HydrophobicContact CE1-CG1 4.25Å; F127-I129 PolarHBondContact O-N 3.34Å
128N98.4Very high97.9Very high71 Ų7164.9 Ų64.938%0.3831%0.308SS..EExtended strand (participates in β ladder)trans-81.4108.1173.4-179.545.6000109.3G89 N90G89-N128 VanDerWaalsContact CA-O 3.29Å; G89-N128 WeakPolarHBondContact CA-O 3.22Å; N90-N128 PolarHBondContact N-O 2.96Å; N90-N128 WeakPolarHBondContact O-CB 3.2Å; N90-N128 PolarHBondContact O-N 2.92Å; N90-N128 WeakPolarHBondContact OD1-CB 3.49Å; N90-N128 PolarHBondContact OD1-ND2 2.92Å
129I98.8Very high98Very high7 Ų760 Ų604%0.03631%0.312CS..EExtended strand (participates in β ladder)trans-82.7124.5-173.5-60.3167000110.3P38 F87 F127 I132 Y149P38-I129 HydrophobicContact CG-CD1 4.17Å; F87-I129 HydrophobicContact CB-CG1 4.31Å; F87-I129 HydrophobicContact CD1-CD1 3.6Å; F87-I129 HydrophobicContact CD1-CG1 3.98Å; F87-I129 HydrophobicContact CD1-CG2 3.93Å; F87-I129 HydrophobicContact CE1-CD1 3.75Å; F87-I129 HydrophobicContact CG-CD1 4.14Å; F87-I129 HydrophobicContact CG-CG1 4.26Å; F87-I129 HydrophobicContact CZ-CD1 4.4Å; F127-I129 HydrophobicContact CD1-CG1 3.76Å; F127-I129 HydrophobicContact CE1-CG1 4.25Å; F127-I129 PolarHBondContact O-N 3.34Å; I129-I132 HydrophobicContact CG2-CD1 3.79Å; I129-I132 HydrophobicContact CG2-CG1 3.44Å; I129-I132 VanDerWaalsContact CG2-CG1 3.44Å; I129-Y149 HydrophobicContact CD1-CD1 4.39Å; I129-Y149 HydrophobicContact CD1-CE1 3.9Å
130T98.6Very high97.8Very high64 Ų6456.1 Ų56.139%0.39330%0.301SS..EExtended strand (participates in β ladder)trans-111.5-27.8173.162.50000112.7C88 G89C88-T130 PolarHBondContact O-N 3.08Å; C88-T130 PolarHBondContact O-OG1 3.25Å; C88-T130 VanDerWaalsContact O-OG1 3.12Å; G89-T130 WeakPolarHBondContact CA-OG1 3.27Å
131N98.7Very high97.7Very high75 Ų7557.7 Ų57.740%0.40131%0.312SS..EExtended strand (participates in β ladder)trans-141144.6179.9-58.486.1000110.6F87 C88 W133F87-N131 WeakPolarHBondContact CA-O 3.42Å; C88-N131 HydrophobicContact CB-CB 4.25Å; C88-N131 PolarHBondContact N-O 2.91Å; C88-N131 PolarHBondContact O-N 3.38Å; N131-W133 HydrophobicContact CB-CE3 4.45Å; N131-W133 HydrophobicContact CB-CH2 3.45Å; N131-W133 VanDerWaalsContact CB-CH2 3.45Å; N131-W133 HydrophobicContact CB-CZ2 4.1Å; N131-W133 HydrophobicContact CB-CZ3 3.65Å
132I98.8Very high97.7Very high1 Ų156.7 Ų56.71%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-135.4128.8-177.6-46.6178.7000108.9I85 I86 F87 I129 V134 V144 Y149I85-I132 HydrophobicContact CD1-CG2 3.64Å; I85-I132 HydrophobicContact CG1-CG2 3.8Å; I86-I132 WeakPolarHBondContact O-CA 3.37Å; F87-I132 HydrophobicContact CD1-CD1 4.44Å; F87-I132 HydrophobicContact CD1-CG1 4.04Å; F87-I132 HydrophobicContact CD1-CG2 4.04Å; F87-I132 HydrophobicContact CE1-CD1 4.32Å; F87-I132 HydrophobicContact CE1-CG1 4.35Å; F87-I132 HydrophobicContact CE1-CG2 3.95Å; I129-I132 HydrophobicContact CG2-CD1 3.79Å; I129-I132 HydrophobicContact CG2-CG1 3.44Å; I129-I132 VanDerWaalsContact CG2-CG1 3.44Å; I132-V134 HydrophobicContact CG2-CG2 4.26Å; I132-V144 HydrophobicContact CB-CB 4.08Å; I132-V144 WeakPolarHBondContact CB-O 3.38Å; I132-V144 HydrophobicContact CD1-CG1 4.41Å; I132-V144 HydrophobicContact CG2-CB 4.18Å; I132-V144 PolarHBondContact O-N 3.4Å; I132-V144 VanDerWaalsContact O-N 3.12Å; I132-Y149 VanDerWaalsContact CD1-CB 3.41Å; I132-Y149 HydrophobicContact CD1-CD1 4.18Å; I132-Y149 HydrophobicContact CD1-CD2 4.02Å; I132-Y149 HydrophobicContact CD1-CG 3.61Å
133W98.6Very high97.7Very high73 Ų7359.8 Ų59.828%0.27732%0.321SS..EExtended strand (participates in β ladder)trans-119.8128.6168.6-61.7-84.9000109.9I85 I86 C88 N131 L141 K142I85-W133 WeakPolarHBondContact CA-O 3.48Å; I86-W133 HydrophobicContact CB-CB 4.38Å; I86-W133 HydrophobicContact CB-CE3 4.39Å; I86-W133 HydrophobicContact CG2-CE3 4.15Å; I86-W133 PolarHBondContact N-O 3.42Å; I86-W133 PolarHBondContact O-N 3.04Å; C88-W133 HydrophobicContact CB-CH2 4.1Å; C88-W133 HydrophobicContact CB-CZ3 3.56Å; N131-W133 HydrophobicContact CB-CE3 4.45Å; N131-W133 HydrophobicContact CB-CH2 3.45Å; N131-W133 VanDerWaalsContact CB-CH2 3.45Å; N131-W133 HydrophobicContact CB-CZ2 4.1Å; N131-W133 HydrophobicContact CB-CZ3 3.65Å; W133-L141 HydrophobicContact CB-CB 4.46Å; W133-L141 HydrophobicContact CB-CD2 4.36Å; W133-L141 VanDerWaalsContact CD1-CD1 3.45Å; W133-L141 HydrophobicContact CG-CD1 4.5Å; W133-L141 HydrophobicContact CG-CD2 4.09Å; W133-K142 WeakPolarHBondContact CA-O 3.36Å
134V98.5Very high97.7Very high29 Ų2959.8 Ų59.818%0.17632%0.324CS..EExtended strand (participates in β ladder)trans-111.8124.6176.5-178.50000108.4I85 I132 D136 K142 V144I85-V134 HydrophobicContact CD1-CG2 3.91Å; I85-V134 HydrophobicContact CG1-CG2 4.05Å; I132-V134 HydrophobicContact CG2-CG2 4.26Å; V134-D136 HydrophobicContact CG1-CB 3.95Å; V134-K142 HydrophobicContact CB-CB 4.46Å; V134-K142 PolarHBondContact N-O 2.95Å; V134-K142 PolarHBondContact O-N 3.12Å; V134-V144 HydrophobicContact CG2-CG2 3.87Å
135L97.9Very high97.7Very high40 Ų4061 Ų6121%0.20933%0.333CS..EExtended strand (participates in β ladder)trans-111.1103.5167.2-165.873.8000108.4P80 A83 H84 L141P80-L135 HydrophobicContact CB-CD1 4.31Å; P80-L135 HydrophobicContact CB-CD2 4.07Å; P80-L135 HydrophobicContact CB-CG 3.83Å; A83-L135 WeakPolarHBondContact CA-O 3.34Å; H84-L135 WeakPolarHBondContact CE1-CD2 3.42Å; H84-L135 PolarHBondContact N-O 2.88Å; H84-L135 PolarHBondContact O-N 2.99Å; L135-L141 HydrophobicContact CD1-CB 4.49Å
136D97.4Very high97.7Very high56 Ų5662.3 Ų62.330%0.29934%0.342SS..  trans-131.1-7.7-175.568.8-16.6000113.6P80 A83 V134 K142P80-D136 CarbonylContact O-C 3.47Å; P80-D136 WeakPolarHBondContact O-CA 3.22Å; A83-D136 HydrophobicContact CB-CB 3.98Å; V134-D136 HydrophobicContact CG1-CB 3.95Å; D136-K142 WeakPolarHBondContact OD1-CE 3.29Å; D136-K142 IonicContact OD1-NZ 2.75Å; D136-K142 PolarHBondContact OD1-NZ 2.87Å; D136-K142 IonicContact OD2-NZ 2.81Å; D136-K142 PolarHBondContact OD2-NZ 2.91Å
137Y97.9Very high97.7Very high141 Ų14166.3 Ų66.355%0.55336%0.362SS*.SBendtrans-157.8170-179.1-148-107.8000112.3P80 L81P80-Y137 WeakPolarHBondContact CB-O 3.23Å; L81-Y137 HydrophobicContact CD2-CD2 3.34Å; L81-Y137 HydrophobicContact CD2-CE2 3.5Å; L81-Y137 HydrophobicContact CD2-CG 4.36Å
138F96.3Very high97.6Very high128 Ų12871.2 Ų71.256%0.56139%0.385SS*.THydrogen-bonded Turntrans-66.8150.6174.4-56.4-73.6000111.5P80 L81P80-F138 HydrophobicContact CG-CD1 3.66Å; P80-F138 HydrophobicContact CG-CE1 3.73Å; P80-F138 HydrophobicContact CG-CG 4.28Å; P80-F138 HydrophobicContact CG-CZ 4.4Å; L81-F138 HydrophobicContact CD1-CE2 4.04Å; L81-F138 HydrophobicContact CD1-CZ 4.26Å; L81-F138 HydrophobicContact CD2-CE2 4.33Å; L81-F138 HydrophobicContact CG-CE2 4.14Å; L81-F138 HydrophobicContact CG-CZ 4.33Å
139G95.6Very high97.6Very high90 Ų9070.7 Ų70.793%0.92838%0.378SS*.THydrogen-bonded Turntrans110.3-0179.900000115
140G92.9Very high97.5Very high42 Ų4274.7 Ų74.743%0.43339%0.393SS..SBendtrans105.3-177.517800000112.8
141L94.7Very high97.4Very high98 Ų9876 Ų7651%0.51341%0.405SS..PPolyproline II helixtrans-71.6148.4179.45872000111.9W133 L135 I143W133-L141 HydrophobicContact CB-CB 4.46Å; W133-L141 HydrophobicContact CB-CD2 4.36Å; W133-L141 VanDerWaalsContact CD1-CD1 3.45Å; W133-L141 HydrophobicContact CG-CD1 4.5Å; W133-L141 HydrophobicContact CG-CD2 4.09Å; L135-L141 HydrophobicContact CD1-CB 4.49Å; L141-I143 HydrophobicContact CD1-CG1 3.97Å
142K97.9Very high97.1Very high101 Ų10177.2 Ų77.244%0.43942%0.415SS..EExtended strand (participates in β ladder)trans-99.3137.3167.4-60.5173.3-175163.10108.7W133 V134 D136W133-K142 WeakPolarHBondContact CA-O 3.36Å; V134-K142 HydrophobicContact CB-CB 4.46Å; V134-K142 PolarHBondContact N-O 2.95Å; V134-K142 PolarHBondContact O-N 3.12Å; D136-K142 WeakPolarHBondContact OD1-CE 3.29Å; D136-K142 IonicContact OD1-NZ 2.75Å; D136-K142 PolarHBondContact OD1-NZ 2.87Å; D136-K142 IonicContact OD2-NZ 2.81Å; D136-K142 PolarHBondContact OD2-NZ 2.91Å
143I98.1Very high96.4Very high124 Ų12485.9 Ų85.964%0.63645%0.452SS*.EExtended strand (participates in β ladder)trans-93.4131.7173-59.1174.5000107.3L141L141-I143 HydrophobicContact CD1-CG1 3.97Å
144V98.4Very high95.4Very high35 Ų3587.4 Ų87.421%0.21247%0.472CS..EExtended strand (participates in β ladder)trans-122135.3175.8179.70000107.7I132 V134 E148I132-V144 HydrophobicContact CB-CB 4.08Å; I132-V144 WeakPolarHBondContact CB-O 3.38Å; I132-V144 HydrophobicContact CD1-CG1 4.41Å; I132-V144 HydrophobicContact CG2-CB 4.18Å; I132-V144 PolarHBondContact O-N 3.4Å; I132-V144 VanDerWaalsContact O-N 3.12Å; V134-V144 HydrophobicContact CG2-CG2 3.87Å; V144-E148 HydrophobicContact CG1-CB 3.89Å
145T98.3Very high95.3Very high53 Ų5390.4 Ų90.433%0.32549%0.487SS..  trans-81.1154175.586.30000110.9E147 E148 Y149T145-E147 WeakPolarHBondContact CB-OE2 3.44Å; T145-E147 PolarHBondContact O-N 2.99Å; T145-E147 PolarHBondContact OG1-N 3.35Å; T145-E147 PolarHBondContact OG1-OE2 3.21Å; T145-E148 PolarHBondContact N-OE2 2.71Å; T145-E148 PolarHBondContact O-N 3.49Å; T145-E148 PolarHBondContact OG1-N 3.25Å; T145-Y149 PolarHBondContact O-N 3.22Å
146P98.2Very high95.1Very high28 Ų2893 Ų9318%0.18250%0.501CS..Hα-helixtrans-54-37.2172.4-27.536.7000112.9Y149 Y150P146-Y149 PolarHBondContact O-N 2.68Å; P146-Y150 HydrophobicContact CB-CD2 4.3Å; P146-Y150 HydrophobicContact CB-CE2 4.28Å; P146-Y150 WeakPolarHBondContact O-CB 3.36Å; P146-Y150 WeakPolarHBondContact O-CD2 3.17Å; P146-Y150 PolarHBondContact O-N 2.81Å
147E98.1Very high95Very high136 Ų13695.1 Ų95.164%0.63651%0.512SS*.Hα-helixtrans-63.8-46.1178.2-56.774.9-163.100111.6T145 Y149 S151T145-E147 WeakPolarHBondContact CB-OE2 3.44Å; T145-E147 PolarHBondContact O-N 2.99Å; T145-E147 PolarHBondContact OG1-N 3.35Å; T145-E147 PolarHBondContact OG1-OE2 3.21Å; E147-Y149 VanDerWaalsContact C-N 3.33Å; E147-Y149 PolarHBondContact O-N 3.37Å; E147-S151 VanDerWaalsContact O-CB 3.29Å; E147-S151 WeakPolarHBondContact O-CB 3.38Å; E147-S151 PolarHBondContact O-N 2.81Å
148E98.1Very high94.8Very high103 Ų10392.4 Ų92.448%0.48151%0.51SS..Hα-helixtrans-59.7-46.6175-70.1173.3148.100110.6V144 T145 S151V144-E148 HydrophobicContact CG1-CB 3.89Å; T145-E148 PolarHBondContact N-OE2 2.71Å; T145-E148 PolarHBondContact O-N 3.49Å; T145-E148 PolarHBondContact OG1-N 3.25Å; E148-S151 PolarHBondContact O-N 2.75Å; E148-S151 PolarHBondContact O-OG 2.84Å
149Y97.9Very high94.8Very high61 Ų6190.1 Ų90.124%0.23951%0.507CS..Hα-helixtrans-59.4-50.8-180176.9-103000112.7G36 F87 I129 I132 T145 P146 E147 S151G36-Y149 WeakPolarHBondContact CA-OH 3.39Å; G36-Y149 WeakPolarHBondContact O-CE1 3.47Å; G36-Y149 PolarHBondContact O-OH 3.07Å; F87-Y149 HydrophobicContact CE1-CE2 4.09Å; F87-Y149 HydrophobicContact CZ-CE2 4.21Å; I129-Y149 HydrophobicContact CD1-CD1 4.39Å; I129-Y149 HydrophobicContact CD1-CE1 3.9Å; I132-Y149 VanDerWaalsContact CD1-CB 3.41Å; I132-Y149 HydrophobicContact CD1-CD1 4.18Å; I132-Y149 HydrophobicContact CD1-CD2 4.02Å; I132-Y149 HydrophobicContact CD1-CG 3.61Å; T145-Y149 PolarHBondContact O-N 3.22Å; P146-Y149 PolarHBondContact O-N 2.68Å; E147-Y149 VanDerWaalsContact C-N 3.33Å; E147-Y149 PolarHBondContact O-N 3.37Å; Y149-S151 VanDerWaalsContact C-N 3.28Å; Y149-S151 PolarHBondContact O-N 2.95Å
150Y96.9Very high94.7Very high90 Ų9090.1 Ų90.135%0.35348%0.479SS..Hα-helixtrans-78.6-8.3-178.2-67.5-60.8000113.9V37 P146 V152V37-Y150 HydrophobicContact CG2-CE1 3.83Å; P146-Y150 HydrophobicContact CB-CD2 4.3Å; P146-Y150 HydrophobicContact CB-CE2 4.28Å; P146-Y150 WeakPolarHBondContact O-CB 3.36Å; P146-Y150 WeakPolarHBondContact O-CD2 3.17Å; P146-Y150 PolarHBondContact O-N 2.81Å; Y150-V152 VanDerWaalsContact C-N 3.28Å
151S96.3Very high94.8Very high92 Ų9293.6 Ų93.664%0.64348%0.482SS*.THydrogen-bonded Turntrans-75.4-16.6174.475.70000113.6E147 E148 Y149E147-S151 VanDerWaalsContact O-CB 3.29Å; E147-S151 WeakPolarHBondContact O-CB 3.38Å; E147-S151 PolarHBondContact O-N 2.81Å; E148-S151 PolarHBondContact O-N 2.75Å; E148-S151 PolarHBondContact O-OG 2.84Å; Y149-S151 VanDerWaalsContact C-N 3.28Å; Y149-S151 PolarHBondContact O-N 2.95Å
152V93.1Very high94.8Very high100 Ų10093.2 Ų93.261%0.60648%0.48SS*.  trans-86.4143.9-176.3-175.80000111.1Y150Y150-V152 VanDerWaalsContact C-N 3.28Å
153K82.4Confident94.6Very high184 Ų18492.6 Ų92.680%0.848%0.483SS*.  trans-107.4109.5170.1-66.2-175.4-179.3-179.20109.4
154P79.3Confident94.3Very high105 Ų10589.7 Ų89.768%0.68247%0.469SS*.  trans-72.80-179.228.4-32.9000113.5H32 G34H32-P154 VanDerWaalsContact CA-O 3.24Å; H32-P154 WeakPolarHBondContact CA-O 3.14Å; H32-P154 PolarHBondContact N-O 3.25Å; H32-P154 VanDerWaalsContact N-O 3.11Å; H32-P154 PolarHBondContact ND1-O 2.92Å; G34-P154 WeakPolarHBondContact O-CG 3.12Å

Retrieved 154 of 154 residues in 261 ms (Link to these results)

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