A0A090KKC3_HUMAN Loading...

HLA class I antigen

AlphaFold DB , UniProt , Accession A0A090KKC3, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 340 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
1S93.3Very high97.9Very high109 Ų10938.5 Ų38.576%0.76221%0.214SC*.  0160.4039.20000107.2V102S1-V102 WeakPolarHBondContact CA-O 3.27Å; S1-V102 VanDerWaalsContact CB-O 3.31Å; S1-V102 WeakPolarHBondContact CB-O 3.25Å
2H97Very high97.8Very high42 Ų4236.8 Ų36.819%0.19421%0.207CC..EExtended strand (participates in β ladder)trans-136.1158.7-179.6-64.5-76.5000110.7D28 D101 V102 L167 L171H2-D28 WeakPolarHBondContact CA-OD1 3.38Å; H2-D28 IonicContact CE1-OD2 3.03Å; H2-D28 IonicContact CG-OD2 2.71Å; H2-D28 IonicContact ND1-OD1 3.02Å; H2-D28 IonicContact ND1-OD2 2.7Å; H2-D28 PolarHBondContact ND1-OD2 3.04Å; H2-D101 CarbonylContact O-C 3.56Å; H2-D101 WeakPolarHBondContact O-CA 3.38Å; H2-V102 HydrophobicContact CB-CG2 4Å; H2-V102 PolarHBondContact N-O 3.31Å; H2-V102 PolarHBondContact O-N 3.48Å; H2-L167 HydrophobicContact CB-CD1 4.39Å; H2-L171 HydrophobicContact CB-CD1 3.67Å; H2-L171 HydrophobicContact CB-CD2 4.01Å; H2-L171 HydrophobicContact CB-CG 4.41Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.29Å
3S97.9Very high97.6Very high22 Ų2239.5 Ų39.515%0.15421%0.212CC..EExtended strand (participates in β ladder)trans-136149.2179.764.20000111.3V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.59Å; S3-V27 WeakPolarHBondContact O-CA 3.44Å; S3-D28 PolarHBondContact N-OD1 2.89Å; S3-D28 PolarHBondContact O-N 2.87Å; S3-D28 PolarHBondContact OG-OD1 3.45Å; S3-C100 WeakPolarHBondContact CA-O 3.26Å; S3-D101 WeakPolarHBondContact CB-OD1 3.49Å
4M98.6Very high96.9Very high0 Ų040.4 Ų40.40%022%0.221CC..EExtended strand (participates in β ladder)trans-122.2123166.4-174.5171.664.100108Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.02Å; M4-Y6 HydrophobicContact CG-CE2 4Å; M4-Y6 HydrophobicContact SD-CE2 3.96Å; M4-Y26 CarbonylContact C-O 3.59Å; M4-Y26 WeakPolarHBondContact CA-O 3.33Å; M4-V27 HydrophobicContact CG-CG2 4.35Å; M4-F32 HydrophobicContact CG-CE1 4.36Å; M4-F32 HydrophobicContact CG-CZ 4.46Å; M4-F32 HydrophobicContact SD-CZ 4.27Å; M4-G99 CarbonylContact O-C 3.52Å; M4-G99 WeakPolarHBondContact O-CA 3.45Å; M4-C100 PolarHBondContact N-O 3.48Å; M4-C100 PolarHBondContact O-N 2.89Å; M4-C163 HydrophobicContact CE-CB 4.15Å; M4-C163 VanDerWaalsContact CE-O 3.27Å; M4-C163 WeakPolarHBondContact CE-O 3.36Å; M4-C163 WeakPolarHBondContact CE-SG 3.33Å; M4-W166 HydrophobicContact CE-CB 3.99Å; M4-W166 HydrophobicContact SD-CB 4.31Å; M4-L167 HydrophobicContact CB-CB 4.07Å; M4-L167 HydrophobicContact CB-CD1 4.02Å; M4-L167 HydrophobicContact CB-CD2 4.12Å; M4-L167 HydrophobicContact CB-CG 4.28Å; M4-Y170 HydrophobicContact SD-CD2 3.72Å; M4-Y170 HydrophobicContact SD-CE2 3.54Å; M4-Y170 VanDerWaalsContact SD-CE2 3.54Å
5R98.5Very high96Very high47 Ų4743.9 Ų43.918%0.17727%0.27CS..EExtended strand (participates in β ladder)trans-131.4132.5-176.7-56.4-63.4179.574.97.1110.6F7 G25 Y26 Y98 D101 Y112R5-F7 HydrophobicContact CB-CD2 4.49Å; R5-F7 HydrophobicContact CB-CE2 3.65Å; R5-F7 HydrophobicContact CB-CZ 4.04Å; R5-G25 CarbonylContact O-C 3.56Å; R5-G25 WeakPolarHBondContact O-CA 3.48Å; R5-Y26 PolarHBondContact N-O 3.02Å; R5-Y26 PolarHBondContact O-N 2.64Å; R5-Y98 CarbonylContact C-O 3.6Å; R5-Y98 WeakPolarHBondContact CA-O 3.35Å; R5-D101 IonicContact CZ-OD1 2.78Å; R5-D101 IonicContact NE-OD1 2.71Å; R5-D101 PolarHBondContact NE-OD1 3.36Å; R5-D101 VanDerWaalsContact NH2-CG 3.26Å; R5-D101 IonicContact NH2-OD1 3.38Å; R5-D101 PolarHBondContact NH2-OD1 3.42Å; R5-D101 IonicContact NH2-OD2 3.6Å; R5-D101 PolarHBondContact NH2-OD2 2.92Å; R5-Y112 VanDerWaalsContact CZ-CE2 3.41Å; R5-Y112 VanDerWaalsContact NH2-CZ 3.27Å; R5-Y112 PolarHBondContact NH2-OH 3.42Å
6Y98.6Very high95.3Very high15 Ų1547.2 Ų47.26%0.05930%0.295CS..EExtended strand (participates in β ladder)trans-110140.3169.9-68.1-91.7000109.3M4 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.02Å; M4-Y6 HydrophobicContact CG-CE2 4Å; M4-Y6 HydrophobicContact SD-CE2 3.96Å; Y6-V24 CarbonylContact C-O 3.54Å; Y6-V24 WeakPolarHBondContact CA-O 3.49Å; Y6-F32 AromaticContact CE1-CZ 3.86Å; Y6-F32 HydrophobicContact CE1-CZ 3.86Å; Y6-F32 HydrophobicContact CE2-CZ 4.41Å; Y6-F32 AromaticContact CZ-CZ 3.63Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.49Å; Y6-V33 HydrophobicContact CE1-CG2 3.96Å; Y6-M97 WeakPolarHBondContact O-CA 3.45Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.48Å; Y6-Y98 HydrophobicContact CD2-CD2 4.31Å; Y6-Y98 AromaticContact CD2-CE2 3.64Å; Y6-Y98 HydrophobicContact CD2-CE2 3.64Å; Y6-Y98 AromaticContact CD2-CZ 3.9Å; Y6-Y98 HydrophobicContact CE2-CE2 4.42Å; Y6-Y98 HydrophobicContact CG-CE1 4.34Å; Y6-Y98 HydrophobicContact CG-CE2 4.01Å; Y6-Y98 AromaticContact CG-CZ 3.77Å; Y6-Y98 PolarHBondContact N-O 3.44Å; Y6-Y98 PolarHBondContact O-N 2.96Å
7F98.8Very high94.7Very high84 Ų8447.9 Ų47.937%0.36831%0.314SS..EExtended strand (participates in β ladder)trans-126.1134175.4-56.5-98.8000108.5R5 A23 V24 Y26 I96 M97R5-F7 HydrophobicContact CB-CD2 4.49Å; R5-F7 HydrophobicContact CB-CE2 3.65Å; R5-F7 HydrophobicContact CB-CZ 4.04Å; F7-A23 CarbonylContact O-C 3.52Å; F7-A23 VanDerWaalsContact O-CA 3.24Å; F7-A23 WeakPolarHBondContact O-CA 3.09Å; F7-V24 HydrophobicContact CB-CG2 3.85Å; F7-V24 HydrophobicContact CD2-CG2 4.31Å; F7-V24 PolarHBondContact N-O 3.04Å; F7-V24 PolarHBondContact O-N 2.79Å; F7-Y26 HydrophobicContact CD2-CD2 4.24Å; F7-Y26 HydrophobicContact CE2-CD2 4.28Å; F7-I96 CarbonylContact C-O 3.57Å; F7-I96 VanDerWaalsContact CA-O 3.27Å; F7-I96 WeakPolarHBondContact CA-O 3.38Å; F7-M97 HydrophobicContact CD1-CB 3.83Å; F7-M97 HydrophobicContact CD1-CG 3.61Å; F7-M97 HydrophobicContact CE1-CB 3.96Å; F7-M97 HydrophobicContact CE1-CG 3.29Å; F7-M97 HydrophobicContact CG-CG 4.43Å; F7-M97 HydrophobicContact CZ-CG 3.87Å
8S98.6Very high94.6Very high7 Ų751.2 Ų51.25%0.04932%0.324CS..EExtended strand (participates in β ladder)trans-126.8146.3167.862.80000111.4I22 Q95 I96S8-I22 CarbonylContact C-O 3.52Å; S8-I22 VanDerWaalsContact CA-O 3.23Å; S8-I22 WeakPolarHBondContact CA-O 3.35Å; S8-Q95 CarbonylContact O-C 3.56Å; S8-Q95 VanDerWaalsContact O-CA 3.31Å; S8-Q95 WeakPolarHBondContact O-CA 3.29Å; S8-I96 PolarHBondContact N-O 2.7Å; S8-I96 PolarHBondContact O-N 2.87Å
9T98.8Very high94.6Very high47 Ų4749.8 Ų49.829%0.28832%0.316SS..EExtended strand (participates in β ladder)trans-132.8126176.7-56.20000109V11 F21 I22 T93 I94 Q95T9-V11 HydrophobicContact CG2-CG2 3.99Å; T9-F21 WeakPolarHBondContact O-CA 3.33Å; T9-I22 PolarHBondContact N-O 3.49Å; T9-I22 PolarHBondContact O-N 3.37Å; T9-T93 HydrophobicContact CG2-CG2 3.73Å; T9-I94 WeakPolarHBondContact CA-O 3.41Å; T9-Q95 HydrophobicContact CG2-CG 4.08Å
10S98.5Very high94.8Very high2 Ų251.8 Ų51.81%0.01432%0.317CS..EExtended strand (participates in β ladder)trans-118.1119.6177.5-70.30000109.9R20 F21 D73 T93 I94S10-R20 CarbonylContact C-O 3.56Å; S10-R20 WeakPolarHBondContact CA-O 3.42Å; S10-F21 WeakPolarHBondContact OG-CD2 3.36Å; S10-D73 WeakPolarHBondContact CB-OD2 3.41Å; S10-D73 WeakPolarHBondContact OG-CB 3.49Å; S10-D73 PolarHBondContact OG-OD2 2.69Å; S10-T93 CarbonylContact O-C 3.54Å; S10-T93 VanDerWaalsContact O-CA 3.27Å; S10-T93 WeakPolarHBondContact O-CA 3.27Å; S10-I94 PolarHBondContact N-O 3.35Å; S10-I94 PolarHBondContact O-N 3.36Å
11V98.2Very high95Very high48 Ų4849.4 Ų49.429%0.29130%0.302SS..EExtended strand (participates in β ladder)trans-116.7115.8-177.2-173.40000109.2T9 P19 R20 T93T9-V11 HydrophobicContact CG2-CG2 3.99Å; V11-P19 CarbonylContact O-C 3.47Å; V11-P19 WeakPolarHBondContact O-CA 3.48Å; V11-P19 WeakPolarHBondContact O-CB 3.33Å; V11-R20 PolarHBondContact N-O 2.82Å; V11-R20 PolarHBondContact O-N 2.84Å; V11-T93 HydrophobicContact CG2-CG2 4.17Å
12S96.9Very high95.2Very high18 Ų1846.2 Ų46.213%0.12628%0.276CS..  trans-68.7144.2175.874.90000111S91 H92S12-S91 PolarHBondContact O-OG 3.27Å; S12-S91 WeakPolarHBondContact OG-CA 3.39Å; S12-H92 PolarHBondContact N-O 2.98Å; S12-H92 PolarHBondContact OG-N 2.95Å; S12-H92 PolarHBondContact OG-O 3.26Å
13R94.7Very high95.3Very high72 Ų7244.8 Ų44.827%0.27227%0.271SS..  trans-126.673.2-176.7-66.8-173.1-76-159.7-9.3111.1G15 S16 E18 D38R13-G15 PolarHBondContact O-N 3.19Å; R13-S16 PolarHBondContact O-N 3.44Å; R13-E18 VanDerWaalsContact CZ-O 3.26Å; R13-E18 PolarHBondContact NE-O 3.05Å; R13-E18 PolarHBondContact NH2-O 2.86Å; R13-D38 IonicContact CZ-OD1 3.52Å; R13-D38 IonicContact CZ-OD2 3.64Å; R13-D38 IonicContact NH1-OD1 3.3Å; R13-D38 PolarHBondContact NH1-OD1 2.77Å; R13-D38 IonicContact NH1-OD2 2.73Å; R13-D38 PolarHBondContact NH1-OD2 2.95Å; R13-D38 IonicContact NH2-OD1 3.31Å; R13-D38 PolarHBondContact NH2-OD1 2.91Å; R13-D38 IonicContact NH2-OD2 3.96Å
14P87.8Confident95.3Very high53 Ų5345 Ų4534%0.34427%0.272SS..THydrogen-bonded Turntrans-50.4125.1-179.9-25.533.4000111.9S16 E88 G90P14-S16 PolarHBondContact O-N 2.86Å; P14-E88 WeakPolarHBondContact CB-O 3.44Å; P14-G90 WeakPolarHBondContact CG-O 3.42Å
15G83.6Confident95.3Very high92 Ų9245 Ų4595%0.94827%0.272SS*.THydrogen-bonded Turntrans71.80.9179.500000116.3R13R13-G15 PolarHBondContact O-N 3.19Å
16S84.9Confident95.3Very high97 Ų9746.1 Ų46.168%0.67828%0.276SS*.SBendtrans-124.119.7-177.8-60.60000113.5R13 P14R13-S16 PolarHBondContact O-N 3.44Å; P14-S16 PolarHBondContact O-N 2.86Å
17G85.8Confident95.3Very high59 Ų5945.4 Ų45.461%0.60827%0.274SS*.SBendtrans104.5-159174.200000114.4
18E91.9Very high95.2Very high107 Ų10742.9 Ų42.950%0.526%0.264SS..SBendtrans-66.3151.4-179.7-66.7-68.8162.600111.7R13 R20 R74R13-E18 VanDerWaalsContact CZ-O 3.26Å; R13-E18 PolarHBondContact NE-O 3.05Å; R13-E18 PolarHBondContact NH2-O 2.86Å; E18-R20 PolarHBondContact O-N 3.27Å; E18-R74 IonicContact OE1-NH1 3.78Å; E18-R74 PolarHBondContact OE1-NH1 2.86Å; E18-R74 WeakPolarHBondContact OE2-CD 3.37Å; E18-R74 IonicContact OE2-CZ 2.72Å; E18-R74 IonicContact OE2-NE 2.83Å; E18-R74 IonicContact OE2-NH1 3.18Å; E18-R74 PolarHBondContact OE2-NH1 3.25Å
19P95.6Very high95Very high25 Ų2545.7 Ų45.716%0.16228%0.278CS..PPolyproline II helixtrans-52.4139.7172.9-25.635.1000111.8V11 R74 L77V11-P19 CarbonylContact O-C 3.47Å; V11-P19 WeakPolarHBondContact O-CA 3.48Å; V11-P19 WeakPolarHBondContact O-CB 3.33Å; P19-R74 HydrophobicContact CG-CB 4.42Å; P19-R74 HydrophobicContact CG-CG 4.13Å; P19-L77 HydrophobicContact CB-CD1 3.63Å; P19-L77 HydrophobicContact CG-CD1 3.69Å
20R97.6Very high94.9Very high89 Ų8944.5 Ų44.534%0.33627%0.271SS..EExtended strand (participates in β ladder)trans-77.2129.1171.1-171.7175.9179.3-177.5-1.8108.3S10 V11 E18 I22 D36 D38S10-R20 CarbonylContact C-O 3.56Å; S10-R20 WeakPolarHBondContact CA-O 3.42Å; V11-R20 PolarHBondContact N-O 2.82Å; V11-R20 PolarHBondContact O-N 2.84Å; E18-R20 PolarHBondContact O-N 3.27Å; R20-I22 HydrophobicContact CG-CG1 4.35Å; R20-D36 IonicContact CZ-OD1 3.7Å; R20-D36 IonicContact CZ-OD2 3.69Å; R20-D36 IonicContact NE-OD1 3.73Å; R20-D36 PolarHBondContact NE-OD1 3.49Å; R20-D36 IonicContact NE-OD2 2.82Å; R20-D36 IonicContact NH2-OD1 2.88Å; R20-D36 IonicContact NH2-OD2 3.71Å; R20-D36 PolarHBondContact NH2-OD2 2.67Å; R20-D38 VanDerWaalsContact CD-OD2 3.29Å; R20-D38 WeakPolarHBondContact CD-OD2 3.04Å; R20-D38 IonicContact NE-OD2 3.62Å
21F98.4Very high94.8Very high2 Ų246.8 Ų46.81%0.00928%0.282CS..EExtended strand (participates in β ladder)trans-116.3126.8176.4179.7-79.4000109.6T9 S10 A23 F35 S37 V66 Q69 S70 D73T9-F21 WeakPolarHBondContact O-CA 3.33Å; S10-F21 WeakPolarHBondContact OG-CD2 3.36Å; F21-A23 HydrophobicContact CE1-CB 3.59Å; F21-A23 HydrophobicContact CZ-CB 4Å; F21-F35 AromaticContact CD1-CD1 3.7Å; F21-F35 HydrophobicContact CD1-CD1 3.7Å; F21-F35 AromaticContact CD1-CE1 3.85Å; F21-F35 HydrophobicContact CD1-CE1 3.85Å; F21-F35 HydrophobicContact CE1-CD1 4.02Å; F21-F35 HydrophobicContact CE1-CE1 4.45Å; F21-S37 PolarHBondContact N-OG 3.4Å; F21-S37 PolarHBondContact O-N 3.32Å; F21-S37 PolarHBondContact O-OG 2.92Å; F21-V66 HydrophobicContact CD1-CG2 4.32Å; F21-V66 HydrophobicContact CE1-CG2 3.36Å; F21-V66 HydrophobicContact CZ-CG2 3.96Å; F21-Q69 HydrophobicContact CE2-CB 4.41Å; F21-Q69 HydrophobicContact CE2-CG 4.01Å; F21-Q69 HydrophobicContact CZ-CB 4.24Å; F21-Q69 HydrophobicContact CZ-CG 4.06Å; F21-S70 WeakPolarHBondContact CB-OG 3.17Å; F21-S70 VanDerWaalsContact CD2-CA 3.4Å; F21-S70 VanDerWaalsContact CG-CB 3.48Å; F21-D73 HydrophobicContact CD2-CB 4.39Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.34Å
22I98.6Very high94.8Very high42 Ų4244.5 Ų44.522%0.21527%0.268CS..EExtended strand (participates in β ladder)trans-124.9133.7174.1-57.4173.9000107.6S8 T9 R20 V24 F35S8-I22 CarbonylContact C-O 3.52Å; S8-I22 VanDerWaalsContact CA-O 3.23Å; S8-I22 WeakPolarHBondContact CA-O 3.35Å; T9-I22 PolarHBondContact N-O 3.49Å; T9-I22 PolarHBondContact O-N 3.37Å; R20-I22 HydrophobicContact CG-CG1 4.35Å; I22-V24 HydrophobicContact CG2-CG1 4.47Å; I22-F35 WeakPolarHBondContact CA-O 3.49Å
23A98.6Very high94.9Very high12 Ų1243.6 Ų43.610%0.09926%0.262CS..EExtended strand (participates in β ladder)trans-129.1145.5168.800000111.1F7 F21 R34 F35 V66F7-A23 CarbonylContact O-C 3.52Å; F7-A23 VanDerWaalsContact O-CA 3.24Å; F7-A23 WeakPolarHBondContact O-CA 3.09Å; F21-A23 HydrophobicContact CE1-CB 3.59Å; F21-A23 HydrophobicContact CZ-CB 4Å; A23-R34 CarbonylContact O-C 3.59Å; A23-R34 WeakPolarHBondContact O-CA 3.36Å; A23-F35 HydrophobicContact CB-CB 4.44Å; A23-F35 PolarHBondContact N-O 3.04Å; A23-F35 PolarHBondContact O-N 3Å; A23-V66 HydrophobicContact CB-CG2 3.73Å
24V98.8Very high95Very high26 Ų2643.7 Ų43.716%0.15826%0.262CS..EExtended strand (participates in β ladder)trans-138.6144.3178.4-63.20000109.8Y6 F7 I22 Y26 V33 R34Y6-V24 CarbonylContact C-O 3.54Å; Y6-V24 WeakPolarHBondContact CA-O 3.49Å; F7-V24 HydrophobicContact CB-CG2 3.85Å; F7-V24 HydrophobicContact CD2-CG2 4.31Å; F7-V24 PolarHBondContact N-O 3.04Å; F7-V24 PolarHBondContact O-N 2.79Å; I22-V24 HydrophobicContact CG2-CG1 4.47Å; V24-Y26 HydrophobicContact CB-CE2 4.02Å; V24-Y26 HydrophobicContact CG2-CD2 4.31Å; V24-Y26 HydrophobicContact CG2-CE2 3.76Å; V24-V33 WeakPolarHBondContact CA-O 3.34Å; V24-R34 HydrophobicContact CG1-CB 4.44Å; V24-R34 HydrophobicContact CG1-CG 4.19Å
25G98.6Very high95.6Very high0 Ų041.4 Ų41.40%025%0.247CC..EExtended strand (participates in β ladder)trans-120.7138.4175.400000110.6R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.56Å; R5-G25 WeakPolarHBondContact O-CA 3.48Å; G25-Q31 WeakPolarHBondContact O-CA 3.33Å; G25-F32 WeakPolarHBondContact O-CD1 3.41Å; G25-F32 PolarHBondContact O-N 3.26Å; G25-V33 PolarHBondContact N-O 2.79Å; G25-V33 PolarHBondContact O-N 3.28Å
26Y98.4Very high96.3Very high71 Ų7138 Ų3828%0.27821%0.207SC..EExtended strand (participates in β ladder)trans-125.1140.5177.9-74.2-102.1000110.5M4 R5 F7 V24 T30 Q31M4-Y26 CarbonylContact C-O 3.59Å; M4-Y26 WeakPolarHBondContact CA-O 3.33Å; R5-Y26 PolarHBondContact N-O 3.02Å; R5-Y26 PolarHBondContact O-N 2.64Å; F7-Y26 HydrophobicContact CD2-CD2 4.24Å; F7-Y26 HydrophobicContact CE2-CD2 4.28Å; V24-Y26 HydrophobicContact CB-CE2 4.02Å; V24-Y26 HydrophobicContact CG2-CD2 4.31Å; V24-Y26 HydrophobicContact CG2-CE2 3.76Å; Y26-T30 WeakPolarHBondContact CA-O 3.44Å; Y26-T30 VanDerWaalsContact CD1-C 3.47Å; Y26-Q31 HydrophobicContact CD1-CB 4Å; Y26-Q31 VanDerWaalsContact CD1-N 3.29Å; Y26-Q31 HydrophobicContact CD2-CG 4.44Å; Y26-Q31 HydrophobicContact CE1-CB 3.51Å; Y26-Q31 HydrophobicContact CE1-CG 4.21Å; Y26-Q31 HydrophobicContact CE2-CB 4.16Å; Y26-Q31 HydrophobicContact CE2-CG 3.94Å
27V98.3Very high96.9Very high0 Ų034.1 Ų34.10%018%0.18CC..EExtended strand (participates in β ladder)trans-107.7119.3157.1177.10000106S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.59Å; S3-V27 WeakPolarHBondContact O-CA 3.44Å; M4-V27 HydrophobicContact CG-CG2 4.35Å; V27-D29 PolarHBondContact O-N 3.45Å; V27-T30 PolarHBondContact N-O 2.97Å; V27-T30 WeakPolarHBondContact O-CB 3.47Å; V27-T30 PolarHBondContact O-N 2.88Å; V27-F32 HydrophobicContact CG2-CD1 3.98Å; V27-F32 HydrophobicContact CG2-CE1 4.01Å; V27-W50 HydrophobicContact CB-CH2 4.48Å; V27-W50 HydrophobicContact CG2-CH2 3.95Å; V27-L167 HydrophobicContact CG1-CD1 3.62Å; V27-L167 HydrophobicContact CG2-CD1 4.31Å; V27-Y170 HydrophobicContact CG2-CD2 3.97Å; V27-L171 HydrophobicContact CG1-CD2 4.08Å; V27-L178 HydrophobicContact CB-CD1 4.26Å; V27-L178 HydrophobicContact CB-CD2 4.1Å; V27-L178 HydrophobicContact CG1-CD1 3.88Å; V27-L178 HydrophobicContact CG1-CD2 4.08Å
28D96.2Very high97.4Very high31 Ų3135 Ų3517%0.16617%0.171CC..THydrogen-bonded Turntrans47.8-123.2-166.3-55.1-41.7000110.6H2 S3 T30H2-D28 WeakPolarHBondContact CA-OD1 3.38Å; H2-D28 IonicContact CE1-OD2 3.03Å; H2-D28 IonicContact CG-OD2 2.71Å; H2-D28 IonicContact ND1-OD1 3.02Å; H2-D28 IonicContact ND1-OD2 2.7Å; H2-D28 PolarHBondContact ND1-OD2 3.04Å; S3-D28 PolarHBondContact N-OD1 2.89Å; S3-D28 PolarHBondContact O-N 2.87Å; S3-D28 PolarHBondContact OG-OD1 3.45Å; D28-T30 VanDerWaalsContact C-N 3.34Å
29D94.9Very high97.6Very high66 Ų6631.3 Ų31.335%0.35316%0.159SC..THydrogen-bonded Turntrans-93.211.5-179.6-54.3-57.3000113.4V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 3.45Å; D29-Y208 HydrophobicContact CB-CE2 4.5Å; D29-P209 WeakPolarHBondContact OD2-CB 3.33Å; D29-A210 HydrophobicContact CB-CB 4.15Å; D29-A210 VanDerWaalsContact CG-CB 3.47Å; D29-A210 WeakPolarHBondContact OD2-CB 3.3Å; D29-A210 PolarHBondContact OD2-N 2.95Å; D29-F240 HydrophobicContact CB-CE2 3.79Å; D29-F240 HydrophobicContact CB-CZ 3.56Å
30T96.1Very high97.6Very high23 Ų2335.6 Ų35.614%0.14120%0.196CC..EExtended strand (participates in β ladder)trans-111114.9-174.4-56.10000112.2Y26 V27 D28 F32 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.44Å; Y26-T30 VanDerWaalsContact CD1-C 3.47Å; V27-T30 PolarHBondContact N-O 2.97Å; V27-T30 WeakPolarHBondContact O-CB 3.47Å; V27-T30 PolarHBondContact O-N 2.88Å; D28-T30 VanDerWaalsContact C-N 3.34Å; T30-F32 PolarHBondContact O-N 2.81Å; T30-L178 HydrophobicContact CG2-CD2 4.08Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.4Å; T30-Y208 PolarHBondContact OG1-OH 2.79Å
31Q97.1Very high97.3Very high49 Ų4934 Ų3423%0.22920%0.198CC..EExtended strand (participates in β ladder)trans-67.8130.1175-166.61787.500110.5G25 Y26 V33 R47G25-Q31 WeakPolarHBondContact O-CA 3.33Å; Y26-Q31 HydrophobicContact CD1-CB 4Å; Y26-Q31 VanDerWaalsContact CD1-N 3.29Å; Y26-Q31 HydrophobicContact CD2-CG 4.44Å; Y26-Q31 HydrophobicContact CE1-CB 3.51Å; Y26-Q31 HydrophobicContact CE1-CG 4.21Å; Y26-Q31 HydrophobicContact CE2-CB 4.16Å; Y26-Q31 HydrophobicContact CE2-CG 3.94Å; Q31-V33 PolarHBondContact NE2-O 2.88Å; Q31-R47 HydrophobicContact CB-CB 4.45Å; Q31-R47 HydrophobicContact CG-CB 4.05Å; Q31-R47 HydrophobicContact CG-CG 4.28Å
32F97.9Very high97.2Very high0 Ų038.2 Ų38.20%022%0.218CC..EExtended strand (participates in β ladder)trans-119.7-23.5179.574.3-82.8000114.2M4 Y6 G25 V27 T30 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.36Å; M4-F32 HydrophobicContact CG-CZ 4.46Å; M4-F32 HydrophobicContact SD-CZ 4.27Å; Y6-F32 AromaticContact CE1-CZ 3.86Å; Y6-F32 HydrophobicContact CE1-CZ 3.86Å; Y6-F32 HydrophobicContact CE2-CZ 4.41Å; Y6-F32 AromaticContact CZ-CZ 3.63Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.49Å; G25-F32 WeakPolarHBondContact O-CD1 3.41Å; G25-F32 PolarHBondContact O-N 3.26Å; V27-F32 HydrophobicContact CG2-CD1 3.98Å; V27-F32 HydrophobicContact CG2-CE1 4.01Å; T30-F32 PolarHBondContact O-N 2.81Å; F32-R47 PolarHBondContact O-N 3.49Å; F32-A48 HydrophobicContact CB-CB 4.25Å; F32-W50 HydrophobicContact CB-CH2 3.15Å; F32-W50 HydrophobicContact CB-CZ2 3.38Å; F32-W50 HydrophobicContact CB-CZ3 4Å; F32-W50 HydrophobicContact CD1-CH2 4.17Å; F32-W50 AromaticContact CD2-CH2 3.91Å; F32-W50 HydrophobicContact CD2-CH2 3.91Å; F32-W50 HydrophobicContact CD2-CZ3 4.23Å; F32-W50 AromaticContact CG-CH2 3.52Å; F32-W50 HydrophobicContact CG-CH2 3.52Å; F32-W50 HydrophobicContact CG-CZ2 4.2Å; F32-W50 HydrophobicContact CG-CZ3 4.28Å; F32-I51 HydrophobicContact CD2-CD1 4.02Å; F32-I51 HydrophobicContact CD2-CG1 4.07Å; F32-I51 HydrophobicContact CE2-CD1 4.43Å; F32-I51 VanDerWaalsContact O-CG2 3.29Å; F32-I51 WeakPolarHBondContact O-CG2 3.33Å; F32-Y170 HydrophobicContact CD2-CE2 4.43Å; F32-Y170 HydrophobicContact CE2-CD2 4.22Å; F32-Y170 AromaticContact CE2-CE2 3.63Å; F32-Y170 HydrophobicContact CE2-CE2 3.63Å; F32-Y170 HydrophobicContact CZ-CD2 4.31Å; F32-Y170 AromaticContact CZ-CE2 3.83Å; F32-Y170 HydrophobicContact CZ-CE2 3.83Å
33V98.4Very high97.2Very high0 Ų043.3 Ų43.30%024%0.235CC..EExtended strand (participates in β ladder)trans-139.9154.6175.8-71.20000112.8Y6 V24 G25 Q31 M44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 3.96Å; V24-V33 WeakPolarHBondContact CA-O 3.34Å; G25-V33 PolarHBondContact N-O 2.79Å; G25-V33 PolarHBondContact O-N 3.28Å; Q31-V33 PolarHBondContact NE2-O 2.88Å; V33-M44 HydrophobicContact CB-CG 4.06Å; V33-M44 HydrophobicContact CB-SD 3.69Å; V33-M44 HydrophobicContact CG1-CG 4.13Å; V33-M44 HydrophobicContact CG1-SD 4.41Å; V33-M44 HydrophobicContact CG2-SD 4.09Å; V33-E45 WeakPolarHBondContact CA-O 2.95Å; V33-I51 HydrophobicContact CG1-CG1 4.45Å; V33-W59 HydrophobicContact CG1-CH2 4.16Å; V33-W59 HydrophobicContact CG1-CZ3 3.91Å
34R98.4Very high97.1Very high73 Ų7343.4 Ų43.428%0.27523%0.233SC..EExtended strand (participates in β ladder)trans-146.3143.9172.8178.8172.5170.3114.25.5111.3A23 V24 D36 M44 E45 R47A23-R34 CarbonylContact O-C 3.59Å; A23-R34 WeakPolarHBondContact O-CA 3.36Å; V24-R34 HydrophobicContact CG1-CB 4.44Å; V24-R34 HydrophobicContact CG1-CG 4.19Å; R34-D36 IonicContact NH2-OD2 2.95Å; R34-D36 PolarHBondContact NH2-OD2 3.2Å; R34-M44 VanDerWaalsContact C-SD 3.53Å; R34-E45 PolarHBondContact N-O 3.29Å; R34-E45 PolarHBondContact O-N 2.93Å; R34-R47 HydrophobicContact CB-CG 3.86Å
35F98.7Very high97.1Very high5 Ų545 Ų452%0.02224%0.239CC..EExtended strand (participates in β ladder)trans-129143.3166.3178.8-86.2000110F21 I22 A23 Q42 R43 M44 V66 K67F21-F35 AromaticContact CD1-CD1 3.7Å; F21-F35 HydrophobicContact CD1-CD1 3.7Å; F21-F35 AromaticContact CD1-CE1 3.85Å; F21-F35 HydrophobicContact CD1-CE1 3.85Å; F21-F35 HydrophobicContact CE1-CD1 4.02Å; F21-F35 HydrophobicContact CE1-CE1 4.45Å; I22-F35 WeakPolarHBondContact CA-O 3.49Å; A23-F35 HydrophobicContact CB-CB 4.44Å; A23-F35 PolarHBondContact N-O 3.04Å; A23-F35 PolarHBondContact O-N 3Å; F35-Q42 VanDerWaalsContact CE2-C 3.48Å; F35-Q42 HydrophobicContact CE2-CB 4.48Å; F35-Q42 WeakPolarHBondContact CE2-O 3.39Å; F35-Q42 HydrophobicContact CZ-CB 4.47Å; F35-R43 WeakPolarHBondContact CD2-O 3.36Å; F35-M44 HydrophobicContact CB-CE 4.17Å; F35-M44 HydrophobicContact CB-SD 3.98Å; F35-V66 HydrophobicContact CB-CG1 4.12Å; F35-V66 HydrophobicContact CB-CG2 3.84Å; F35-V66 HydrophobicContact CD1-CG1 4.21Å; F35-V66 HydrophobicContact CD1-CG2 3.88Å; F35-V66 HydrophobicContact CD2-CG1 3.34Å; F35-V66 HydrophobicContact CD2-CG2 4.37Å; F35-V66 HydrophobicContact CE2-CG1 3.69Å; F35-V66 HydrophobicContact CG-CB 4.38Å; F35-V66 HydrophobicContact CG-CG1 3.63Å; F35-V66 HydrophobicContact CG-CG2 3.77Å; F35-V66 HydrophobicContact CZ-CG1 4.27Å; F35-K67 HydrophobicContact CE2-CG 4.24Å; F35-K67 HydrophobicContact CZ-CG 4.1Å
36D98.4Very high97.1Very high20 Ų2047.1 Ų47.111%0.10725%0.253CS..EExtended strand (participates in β ladder)trans-139.1122.4173.3-162.9-32.8000109.1R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.7Å; R20-D36 IonicContact CZ-OD2 3.69Å; R20-D36 IonicContact NE-OD1 3.73Å; R20-D36 PolarHBondContact NE-OD1 3.49Å; R20-D36 IonicContact NE-OD2 2.82Å; R20-D36 IonicContact NH2-OD1 2.88Å; R20-D36 IonicContact NH2-OD2 3.71Å; R20-D36 PolarHBondContact NH2-OD2 2.67Å; R34-D36 IonicContact NH2-OD2 2.95Å; R34-D36 PolarHBondContact NH2-OD2 3.2Å; D36-D38 PolarHBondContact O-N 2.67Å; D36-D38 PolarHBondContact OD1-N 3.13Å; D36-A39 HydrophobicContact CB-CB 4.15Å; D36-A39 WeakPolarHBondContact O-CB 3.47Å; D36-A39 PolarHBondContact O-N 2.9Å; D36-A39 VanDerWaalsContact O-N 3.14Å
37S97.4Very high97Very high17 Ų1748.6 Ų48.612%0.11926%0.258CS..THydrogen-bonded Turntrans-64.1-24.5-178.7640000113.1F21 Q42F21-S37 PolarHBondContact N-OG 3.4Å; F21-S37 PolarHBondContact O-N 3.32Å; F21-S37 PolarHBondContact O-OG 2.92Å; S37-Q42 PolarHBondContact O-NE2 3.26Å
38D96.3Very high96.9Very high77 Ų7748.9 Ų48.941%0.41226%0.26SS..THydrogen-bonded Turntrans-87.3-8.2-179.9-68.9-0.6000112.2R13 R20 D36R13-D38 IonicContact CZ-OD1 3.52Å; R13-D38 IonicContact CZ-OD2 3.64Å; R13-D38 IonicContact NH1-OD1 3.3Å; R13-D38 PolarHBondContact NH1-OD1 2.77Å; R13-D38 IonicContact NH1-OD2 2.73Å; R13-D38 PolarHBondContact NH1-OD2 2.95Å; R13-D38 IonicContact NH2-OD1 3.31Å; R13-D38 PolarHBondContact NH2-OD1 2.91Å; R13-D38 IonicContact NH2-OD2 3.96Å; R20-D38 VanDerWaalsContact CD-OD2 3.29Å; R20-D38 WeakPolarHBondContact CD-OD2 3.04Å; R20-D38 IonicContact NE-OD2 3.62Å; D36-D38 PolarHBondContact O-N 2.67Å; D36-D38 PolarHBondContact OD1-N 3.13Å
39A96.4Very high96.9Very high30 Ų3052.2 Ų52.225%0.24828%0.284CS..SBendtrans-70.7144.2175.400000111.1D36 S41 Q42D36-A39 HydrophobicContact CB-CB 4.15Å; D36-A39 WeakPolarHBondContact O-CB 3.47Å; D36-A39 PolarHBondContact O-N 2.9Å; D36-A39 VanDerWaalsContact O-N 3.14Å; A39-S41 VanDerWaalsContact C-N 3.27Å; A39-S41 PolarHBondContact O-N 2.82Å; A39-Q42 WeakPolarHBondContact O-CG 3.41Å; A39-Q42 PolarHBondContact O-N 2.91Å
40A95.5Very high96.9Very high115 Ų11549.9 Ų49.995%0.9527%0.27SS*.SBendtrans-62.3-32.3-179.200000113.6
41S92.9Very high97Very high55 Ų5548.8 Ų48.839%0.38526%0.263SS..SBendtrans-71.3-35.1178.5610000112.1A39 R43 E45A39-S41 VanDerWaalsContact C-N 3.27Å; A39-S41 PolarHBondContact O-N 2.82Å; S41-R43 WeakPolarHBondContact O-CG 3.46Å; S41-R43 PolarHBondContact O-N 2.89Å; S41-E45 PolarHBondContact OG-OE1 3.17Å
42Q95.4Very high96.9Very high90 Ų9052.3 Ų52.342%0.42128%0.279SS..  trans39.550.5-167.3-59-172.8-19.600111.8F35 S37 A39 K67F35-Q42 VanDerWaalsContact CE2-C 3.48Å; F35-Q42 HydrophobicContact CE2-CB 4.48Å; F35-Q42 WeakPolarHBondContact CE2-O 3.39Å; F35-Q42 HydrophobicContact CZ-CB 4.47Å; S37-Q42 PolarHBondContact O-NE2 3.26Å; A39-Q42 WeakPolarHBondContact O-CG 3.41Å; A39-Q42 PolarHBondContact O-N 2.91Å; Q42-K67 WeakPolarHBondContact O-CE 3.48Å; Q42-K67 PolarHBondContact O-NZ 3.27Å
43R97.6Very high96.7Very high150 Ų15057.9 Ų57.957%0.56631%0.306SS*.SBendtrans-125.2157178.3-77.4179.6178.9-154.6-4.9110.3F35 S41 E45 T63F35-R43 WeakPolarHBondContact CD2-O 3.36Å; S41-R43 WeakPolarHBondContact O-CG 3.46Å; S41-R43 PolarHBondContact O-N 2.89Å; R43-E45 PolarHBondContact O-N 3.05Å; R43-T63 HydrophobicContact CB-CG2 4.46Å; R43-T63 HydrophobicContact CG-CG2 4.14Å
44M98.2Very high96.6Very high14 Ų1458.5 Ų58.57%0.06931%0.308CS..  trans-67.9127.7166.9-171.463.178.800108.2V33 R34 F35 W59 E62 T63 V66V33-M44 HydrophobicContact CB-CG 4.06Å; V33-M44 HydrophobicContact CB-SD 3.69Å; V33-M44 HydrophobicContact CG1-CG 4.13Å; V33-M44 HydrophobicContact CG1-SD 4.41Å; V33-M44 HydrophobicContact CG2-SD 4.09Å; R34-M44 VanDerWaalsContact C-SD 3.53Å; F35-M44 HydrophobicContact CB-CE 4.17Å; F35-M44 HydrophobicContact CB-SD 3.98Å; M44-W59 HydrophobicContact CB-CE3 4.34Å; M44-W59 HydrophobicContact CG-CE3 4.27Å; M44-W59 HydrophobicContact CG-CZ3 4.13Å; M44-E62 HydrophobicContact CB-CB 4.06Å; M44-E62 HydrophobicContact CE-CB 4.47Å; M44-E62 HydrophobicContact CG-CB 4.02Å; M44-T63 PolarHBondContact N-OG1 3.28Å; M44-V66 HydrophobicContact CE-CB 3.9Å; M44-V66 HydrophobicContact CE-CG1 4.06Å; M44-V66 HydrophobicContact CE-CG2 4.09Å
45E98Very high96.5Very high58 Ų5863.8 Ų63.827%0.27133%0.329SS..EExtended strand (participates in β ladder)trans-117141.5-175.3-62.8177.9173.900111.1V33 R34 S41 R43 R47V33-E45 WeakPolarHBondContact CA-O 2.95Å; R34-E45 PolarHBondContact N-O 3.29Å; R34-E45 PolarHBondContact O-N 2.93Å; S41-E45 PolarHBondContact OG-OE1 3.17Å; R43-E45 PolarHBondContact O-N 3.05Å; E45-R47 IonicContact OE2-CZ 3.52Å; E45-R47 IonicContact OE2-NH1 2.78Å; E45-R47 PolarHBondContact OE2-NH1 3.2Å; E45-R47 VanDerWaalsContact OE2-NH1 3.09Å; E45-R47 IonicContact OE2-NH2 3.54Å; E45-R47 PolarHBondContact OE2-NH2 2.72Å
46P97.9Very high96.4Very high45 Ų4567.9 Ų67.929%0.29236%0.355SS..EExtended strand (participates in β ladder)trans-66.7147.7174.428.1-34000111.2I51 E52 W59P46-I51 HydrophobicContact CB-CG2 3.7Å; P46-E52 HydrophobicContact CB-CG 3.74Å; P46-E52 HydrophobicContact CG-CG 3.99Å; P46-W59 HydrophobicContact CB-CH2 3.59Å; P46-W59 HydrophobicContact CB-CZ2 4.03Å; P46-W59 HydrophobicContact CB-CZ3 4.41Å; P46-W59 HydrophobicContact CG-CH2 4.21Å; P46-W59 HydrophobicContact CG-CZ2 4.45Å
47R97.1Very high96.4Very high102 Ų10273 Ų7339%0.38538%0.379SS..  trans-1290.5172.6-64.9-63.6-178.9-95.62.4113.4Q31 F32 R34 E45Q31-R47 HydrophobicContact CB-CB 4.45Å; Q31-R47 HydrophobicContact CG-CB 4.05Å; Q31-R47 HydrophobicContact CG-CG 4.28Å; F32-R47 PolarHBondContact O-N 3.49Å; R34-R47 HydrophobicContact CB-CG 3.86Å; E45-R47 IonicContact OE2-CZ 3.52Å; E45-R47 IonicContact OE2-NH1 2.78Å; E45-R47 PolarHBondContact OE2-NH1 3.2Å; E45-R47 VanDerWaalsContact OE2-NH1 3.09Å; E45-R47 IonicContact OE2-NH2 3.54Å; E45-R47 PolarHBondContact OE2-NH2 2.72Å
48A95.8Very high96.3Very high6 Ų673 Ų735%0.0538%0.376CS..SBendtrans-138.4143.7173.500000111F32 W50 I51F32-A48 HydrophobicContact CB-CB 4.25Å; A48-W50 VanDerWaalsContact C-N 3.28Å; A48-W50 HydrophobicContact CB-CD2 4.17Å; A48-W50 HydrophobicContact CB-CG 4.35Å; A48-W50 HydrophobicContact CB-CZ2 3.98Å; A48-W50 PolarHBondContact O-N 3.26Å; A48-I51 WeakPolarHBondContact O-CG2 3.47Å; A48-I51 PolarHBondContact O-N 2.97Å
49P95.9Very high96.4Very high102 Ų10271.1 Ų71.166%0.66236%0.363SS*.Hα-helixtrans-59-36.7-177.5-26.534.9000113.9I51 E52P49-I51 PolarHBondContact O-N 2.94Å; P49-E52 WeakPolarHBondContact O-CB 3.41Å; P49-E52 PolarHBondContact O-N 3.23Å; P49-E52 VanDerWaalsContact O-N 3.13Å
50W95.8Very high96.5Very high16 Ų1673.6 Ų73.66%0.06137%0.372CS..Hα-helixtrans-70.1-14.2-17654.1-105.4000114.4V27 F32 A48 Q53 Y170 G174 L178V27-W50 HydrophobicContact CB-CH2 4.48Å; V27-W50 HydrophobicContact CG2-CH2 3.95Å; F32-W50 HydrophobicContact CB-CH2 3.15Å; F32-W50 HydrophobicContact CB-CZ2 3.38Å; F32-W50 HydrophobicContact CB-CZ3 4Å; F32-W50 HydrophobicContact CD1-CH2 4.17Å; F32-W50 AromaticContact CD2-CH2 3.91Å; F32-W50 HydrophobicContact CD2-CH2 3.91Å; F32-W50 HydrophobicContact CD2-CZ3 4.23Å; F32-W50 AromaticContact CG-CH2 3.52Å; F32-W50 HydrophobicContact CG-CH2 3.52Å; F32-W50 HydrophobicContact CG-CZ2 4.2Å; F32-W50 HydrophobicContact CG-CZ3 4.28Å; A48-W50 VanDerWaalsContact C-N 3.28Å; A48-W50 HydrophobicContact CB-CD2 4.17Å; A48-W50 HydrophobicContact CB-CG 4.35Å; A48-W50 HydrophobicContact CB-CZ2 3.98Å; A48-W50 PolarHBondContact O-N 3.26Å; W50-Q53 WeakPolarHBondContact O-CG 3.44Å; W50-Q53 PolarHBondContact O-NE2 2.95Å; W50-Y170 HydrophobicContact CH2-CG 4.26Å; W50-Y170 AromaticContact CZ3-CD1 3.86Å; W50-Y170 HydrophobicContact CZ3-CD1 3.86Å; W50-Y170 HydrophobicContact CZ3-CD2 4.41Å; W50-Y170 AromaticContact CZ3-CG 3.72Å; W50-Y170 HydrophobicContact CZ3-CG 3.72Å; W50-G174 VanDerWaalsContact CG-CA 3.5Å; W50-L178 HydrophobicContact CD2-CD1 4.45Å; W50-L178 HydrophobicContact CH2-CD1 4.26Å; W50-L178 HydrophobicContact CZ2-CD1 3.82Å; W50-L178 HydrophobicContact CZ2-CD2 4.04Å; W50-L178 HydrophobicContact CZ2-CG 4.31Å
51I97.3Very high96.6Very high0 Ų071.7 Ų71.70%034%0.344CS..Hα-helixtrans-89.9-20.6173.5-163.171.8000111.8F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CD2-CD1 4.02Å; F32-I51 HydrophobicContact CD2-CG1 4.07Å; F32-I51 HydrophobicContact CE2-CD1 4.43Å; F32-I51 VanDerWaalsContact O-CG2 3.29Å; F32-I51 WeakPolarHBondContact O-CG2 3.33Å; V33-I51 HydrophobicContact CG1-CG1 4.45Å; P46-I51 HydrophobicContact CB-CG2 3.7Å; A48-I51 WeakPolarHBondContact O-CG2 3.47Å; A48-I51 PolarHBondContact O-N 2.97Å; P49-I51 PolarHBondContact O-N 2.94Å; I51-Q53 PolarHBondContact O-N 2.9Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; I51-E54 HydrophobicContact CD1-CG 3.69Å; I51-E54 HydrophobicContact CG1-CG 4.21Å; I51-E54 WeakPolarHBondContact O-CB 3.33Å; I51-E54 WeakPolarHBondContact O-CG 3.48Å; I51-E54 PolarHBondContact O-N 2.03Å; I51-Y58 HydrophobicContact CD1-CE1 4.13Å; I51-Y58 HydrophobicContact CG1-CE1 4.12Å; I51-W59 HydrophobicContact CB-CH2 4.46Å; I51-W59 HydrophobicContact CG1-CH2 3.8Å; I51-W59 HydrophobicContact CG1-CZ2 4.08Å; I51-W59 HydrophobicContact CG2-CH2 3.96Å; I51-W59 HydrophobicContact CG2-CZ2 4.38Å; I51-W59 WeakPolarHBondContact O-CZ2 3.49Å; I51-Y170 HydrophobicContact CD1-CD1 3.75Å; I51-Y170 HydrophobicContact CD1-CE1 3.29Å
52E95.9Very high96.8Very high123 Ų12370.2 Ų70.258%0.57533%0.331SS*.Hα-helixtrans-63.6-24.1-176.5-64.8-179.3-172.300113.3P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.74Å; P46-E52 HydrophobicContact CG-CG 3.99Å; P49-E52 WeakPolarHBondContact O-CB 3.41Å; P49-E52 PolarHBondContact O-N 3.23Å; P49-E52 VanDerWaalsContact O-N 3.13Å; E52-E54 PolarHBondContact O-N 3.31Å
53Q93.9Very high97Very high118 Ų11866.6 Ų66.655%0.55132%0.315SS*.THydrogen-bonded Turntrans-71.4-10.5175.366.4-176.4-22.300114.1W50 I51 N173W50-Q53 WeakPolarHBondContact O-CG 3.44Å; W50-Q53 PolarHBondContact O-NE2 2.95Å; I51-Q53 PolarHBondContact O-N 2.9Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; Q53-N173 PolarHBondContact NE2-ND2 2.62Å
54E96.2Very high97Very high12 Ų1267 Ų676%0.05632%0.316CS..SBendtrans-63.8143.3175.8-71.1-59.5153.500111.3I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.69Å; I51-E54 HydrophobicContact CG1-CG 4.21Å; I51-E54 WeakPolarHBondContact O-CB 3.33Å; I51-E54 WeakPolarHBondContact O-CG 3.48Å; I51-E54 PolarHBondContact O-N 2.03Å; E52-E54 PolarHBondContact O-N 3.31Å; E54-Y58 HydrophobicContact CB-CD1 3.53Å; E54-Y58 HydrophobicContact CB-CE1 4.19Å; E54-Y58 HydrophobicContact CB-CG 3.85Å; E54-Y58 HydrophobicContact CG-CD1 3.98Å; E54-Y58 HydrophobicContact CG-CE1 4.24Å; E54-Y58 HydrophobicContact CG-CG 4.18Å; E54-W59 PolarHBondContact O-NE1 2.81Å; E54-R169 VanDerWaalsContact CD-NH2 3.25Å; E54-R169 IonicContact OE1-CZ 3.35Å; E54-R169 VanDerWaalsContact OE1-CZ 3.29Å; E54-R169 IonicContact OE1-NE 2.71Å; E54-R169 PolarHBondContact OE1-NE 3.25Å; E54-R169 IonicContact OE1-NH2 2.78Å; E54-R169 PolarHBondContact OE1-NH2 3.4Å; E54-R169 IonicContact OE2-CZ 3.45Å; E54-R169 IonicContact OE2-NE 3.88Å; E54-R169 IonicContact OE2-NH2 3.26Å; E54-R169 PolarHBondContact OE2-NH2 3.04Å; E54-N173 PolarHBondContact OE1-ND2 3Å; E54-N173 VanDerWaalsContact OE1-ND2 3.13Å
55R95.9Very high96.9Very high185 Ų18569.8 Ų69.870%0.69833%0.332SS*.  trans-70.5158.6-173.7-59.5-173.5177.9-176.4-0.1111.7E57 Y58R55-E57 WeakPolarHBondContact CB-OE2 3.31Å; R55-E57 PolarHBondContact O-N 3.01Å; R55-Y58 WeakPolarHBondContact O-CB 3.19Å; R55-Y58 PolarHBondContact O-N 3.18Å
56P96.7Very high96.9Very high90 Ų9067.5 Ų67.558%0.58432%0.322SS*.Hα-helixtrans-51.4-34.5178.3-28.937000114.3Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.26Å; P56-Y58 PolarHBondContact O-N 2.87Å; P56-W59 PolarHBondContact O-N 2.8Å; P56-W59 VanDerWaalsContact O-N 3.16Å; P56-D60 PolarHBondContact O-N 2.67Å
57E97.4Very high96.9Very high129 Ų12969.2 Ų69.260%0.60333%0.325SS*.Hα-helixtrans-62.8-32.5179.5-59.978.2-167.400112.8R55 Q61R55-E57 WeakPolarHBondContact CB-OE2 3.31Å; R55-E57 PolarHBondContact O-N 3.01Å; E57-Q61 VanDerWaalsContact O-CB 3.27Å; E57-Q61 WeakPolarHBondContact O-CB 3.29Å; E57-Q61 PolarHBondContact O-N 2.83Å
58Y97.1Very high96.9Very high15 Ų1567 Ų676%0.05933%0.328CS..Hα-helixtrans-63.9-50.6173.9169.6-97.1000110.3I51 E54 R55 P56 D60 Q61 E62 W166 Y170I51-Y58 HydrophobicContact CD1-CE1 4.13Å; I51-Y58 HydrophobicContact CG1-CE1 4.12Å; E54-Y58 HydrophobicContact CB-CD1 3.53Å; E54-Y58 HydrophobicContact CB-CE1 4.19Å; E54-Y58 HydrophobicContact CB-CG 3.85Å; E54-Y58 HydrophobicContact CG-CD1 3.98Å; E54-Y58 HydrophobicContact CG-CE1 4.24Å; E54-Y58 HydrophobicContact CG-CG 4.18Å; R55-Y58 WeakPolarHBondContact O-CB 3.19Å; R55-Y58 PolarHBondContact O-N 3.18Å; P56-Y58 VanDerWaalsContact C-N 3.26Å; P56-Y58 PolarHBondContact O-N 2.87Å; Y58-D60 VanDerWaalsContact C-N 3.33Å; Y58-D60 PolarHBondContact O-N 2.88Å; Y58-Q61 PolarHBondContact O-N 2.77Å; Y58-E62 HydrophobicContact CD1-CG 4.42Å; Y58-E62 HydrophobicContact CD2-CG 4.09Å; Y58-E62 HydrophobicContact CE1-CG 4.02Å; Y58-E62 HydrophobicContact CE2-CG 3.66Å; Y58-E62 HydrophobicContact CG-CG 4.45Å; Y58-E62 WeakPolarHBondContact O-CB 3.29Å; Y58-E62 WeakPolarHBondContact O-CG 3.21Å; Y58-E62 PolarHBondContact O-N 3.37Å; Y58-W166 AromaticContact CD2-CH2 3.46Å; Y58-W166 HydrophobicContact CD2-CH2 3.46Å; Y58-W166 VanDerWaalsContact CD2-CH2 3.46Å; Y58-W166 HydrophobicContact CD2-CZ2 4.03Å; Y58-W166 AromaticContact CD2-CZ3 3.9Å; Y58-W166 HydrophobicContact CD2-CZ3 3.9Å; Y58-W166 HydrophobicContact CE2-CE3 4.43Å; Y58-W166 AromaticContact CE2-CH2 3.84Å; Y58-W166 HydrophobicContact CE2-CH2 3.84Å; Y58-W166 HydrophobicContact CE2-CZ2 4.28Å; Y58-W166 AromaticContact CE2-CZ3 3.92Å; Y58-W166 HydrophobicContact CE2-CZ3 3.92Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.49Å; Y58-Y170 PolarHBondContact OH-OH 3.46Å
59W98.1Very high97Very high39 Ų3969.8 Ų69.815%0.14834%0.34CS..Hα-helixtrans-63.5-38.3-179.3-62.5109.8000112.8V33 M44 P46 I51 E54 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.16Å; V33-W59 HydrophobicContact CG1-CZ3 3.91Å; M44-W59 HydrophobicContact CB-CE3 4.34Å; M44-W59 HydrophobicContact CG-CE3 4.27Å; M44-W59 HydrophobicContact CG-CZ3 4.13Å; P46-W59 HydrophobicContact CB-CH2 3.59Å; P46-W59 HydrophobicContact CB-CZ2 4.03Å; P46-W59 HydrophobicContact CB-CZ3 4.41Å; P46-W59 HydrophobicContact CG-CH2 4.21Å; P46-W59 HydrophobicContact CG-CZ2 4.45Å; I51-W59 HydrophobicContact CB-CH2 4.46Å; I51-W59 HydrophobicContact CG1-CH2 3.8Å; I51-W59 HydrophobicContact CG1-CZ2 4.08Å; I51-W59 HydrophobicContact CG2-CH2 3.96Å; I51-W59 HydrophobicContact CG2-CZ2 4.38Å; I51-W59 WeakPolarHBondContact O-CZ2 3.49Å; E54-W59 PolarHBondContact O-NE1 2.81Å; P56-W59 PolarHBondContact O-N 2.8Å; P56-W59 VanDerWaalsContact O-N 3.16Å; W59-T63 WeakPolarHBondContact O-CB 3.44Å; W59-T63 PolarHBondContact O-N 2.71Å; W59-T63 PolarHBondContact O-OG1 2.7Å
60D97.9Very high97.1Very high81 Ų8165.8 Ų65.843%0.43332%0.315SS..Hα-helixtrans-68.3-39.6175.2-75.1-21.3000111.8P56 Y58 R64P56-D60 PolarHBondContact O-N 2.67Å; Y58-D60 VanDerWaalsContact C-N 3.33Å; Y58-D60 PolarHBondContact O-N 2.88Å; D60-R64 WeakPolarHBondContact O-CB 3.16Å; D60-R64 VanDerWaalsContact O-CG 3.31Å; D60-R64 WeakPolarHBondContact O-CG 3.25Å; D60-R64 PolarHBondContact O-N 3.09Å
61Q97.4Very high97.2Very high75 Ų7569.5 Ų69.535%0.3533%0.333SS..Hα-helixtrans-65.4-49.9175.4-174.662.447.700111.5E57 Y58 T63 R64 N65E57-Q61 VanDerWaalsContact O-CB 3.27Å; E57-Q61 WeakPolarHBondContact O-CB 3.29Å; E57-Q61 PolarHBondContact O-N 2.83Å; Y58-Q61 PolarHBondContact O-N 2.77Å; Q61-T63 VanDerWaalsContact C-N 3.32Å; Q61-T63 PolarHBondContact O-N 3.31Å; Q61-R64 PolarHBondContact O-N 2.86Å; Q61-R64 VanDerWaalsContact O-N 3.12Å; Q61-N65 PolarHBondContact NE2-OD1 2.97Å; Q61-N65 PolarHBondContact O-N 2.94Å; Q61-N65 PolarHBondContact O-ND2 3.49Å; Q61-N65 PolarHBondContact O-OD1 3.32Å
62E97.6Very high97.2Very high25 Ų2572.7 Ų72.712%0.11735%0.352CS..Hα-helixtrans-63.3-39.6180-70.8-56.2101.700111.7M44 Y58 R64 N65 V66M44-E62 HydrophobicContact CB-CB 4.06Å; M44-E62 HydrophobicContact CE-CB 4.47Å; M44-E62 HydrophobicContact CG-CB 4.02Å; Y58-E62 HydrophobicContact CD1-CG 4.42Å; Y58-E62 HydrophobicContact CD2-CG 4.09Å; Y58-E62 HydrophobicContact CE1-CG 4.02Å; Y58-E62 HydrophobicContact CE2-CG 3.66Å; Y58-E62 HydrophobicContact CG-CG 4.45Å; Y58-E62 WeakPolarHBondContact O-CB 3.29Å; Y58-E62 WeakPolarHBondContact O-CG 3.21Å; Y58-E62 PolarHBondContact O-N 3.37Å; E62-R64 VanDerWaalsContact C-N 3.34Å; E62-R64 PolarHBondContact O-N 3.39Å; E62-N65 PolarHBondContact O-N 3.42Å; E62-N65 PolarHBondContact OE1-ND2 3.02Å; E62-V66 WeakPolarHBondContact O-CB 3.45Å; E62-V66 WeakPolarHBondContact O-CG1 3.48Å; E62-V66 PolarHBondContact O-N 3.36Å
63T98.4Very high97.3Very high14 Ų1466.9 Ų66.99%0.08633%0.325CS..Hα-helixtrans-62.9-39.8174-62.50000111.8R43 M44 W59 Q61 V66 K67R43-T63 HydrophobicContact CB-CG2 4.46Å; R43-T63 HydrophobicContact CG-CG2 4.14Å; M44-T63 PolarHBondContact N-OG1 3.28Å; W59-T63 WeakPolarHBondContact O-CB 3.44Å; W59-T63 PolarHBondContact O-N 2.71Å; W59-T63 PolarHBondContact O-OG1 2.7Å; Q61-T63 VanDerWaalsContact C-N 3.32Å; Q61-T63 PolarHBondContact O-N 3.31Å; T63-V66 WeakPolarHBondContact O-CG1 3.4Å; T63-K67 HydrophobicContact CG2-CD 4.22Å; T63-K67 WeakPolarHBondContact O-CB 3.37Å; T63-K67 VanDerWaalsContact O-CG 3.29Å; T63-K67 WeakPolarHBondContact O-CG 3.35Å; T63-K67 PolarHBondContact O-N 3.47Å; T63-K67 VanDerWaalsContact O-N 3.14Å
64R98.3Very high97.4Very high157 Ų15765.8 Ų65.859%0.59232%0.316SS*.Hα-helixtrans-67.2-44.9175.9-77.1-173.8-64.2163.7-1.6111.6D60 Q61 E62 K67 A68D60-R64 WeakPolarHBondContact O-CB 3.16Å; D60-R64 VanDerWaalsContact O-CG 3.31Å; D60-R64 WeakPolarHBondContact O-CG 3.25Å; D60-R64 PolarHBondContact O-N 3.09Å; Q61-R64 PolarHBondContact O-N 2.86Å; Q61-R64 VanDerWaalsContact O-N 3.12Å; E62-R64 VanDerWaalsContact C-N 3.34Å; E62-R64 PolarHBondContact O-N 3.39Å; R64-K67 PolarHBondContact O-N 2.96Å; R64-A68 WeakPolarHBondContact O-CB 3.19Å; R64-A68 PolarHBondContact O-N 3.45Å
65N96.9Very high97.4Very high74 Ų7469.5 Ų69.540%0.39634%0.339SS..Hα-helixtrans-58.5-50.6179-68.8-14.1000111Q61 E62 K67 A68 Q69Q61-N65 PolarHBondContact NE2-OD1 2.97Å; Q61-N65 PolarHBondContact O-N 2.94Å; Q61-N65 PolarHBondContact O-ND2 3.49Å; Q61-N65 PolarHBondContact O-OD1 3.32Å; E62-N65 PolarHBondContact O-N 3.42Å; E62-N65 PolarHBondContact OE1-ND2 3.02Å; N65-K67 PolarHBondContact O-N 3.45Å; N65-A68 WeakPolarHBondContact O-CB 3.46Å; N65-A68 PolarHBondContact O-N 3.03Å; N65-Q69 PolarHBondContact O-N 3.49Å
66V97.6Very high97.5Very high10 Ų1063 Ų636%0.06132%0.319CS..Hα-helixtrans-68.3-33.4-177.6760000112.7F21 A23 F35 M44 E62 T63 Q69 S70F21-V66 HydrophobicContact CD1-CG2 4.32Å; F21-V66 HydrophobicContact CE1-CG2 3.36Å; F21-V66 HydrophobicContact CZ-CG2 3.96Å; A23-V66 HydrophobicContact CB-CG2 3.73Å; F35-V66 HydrophobicContact CB-CG1 4.12Å; F35-V66 HydrophobicContact CB-CG2 3.84Å; F35-V66 HydrophobicContact CD1-CG1 4.21Å; F35-V66 HydrophobicContact CD1-CG2 3.88Å; F35-V66 HydrophobicContact CD2-CG1 3.34Å; F35-V66 HydrophobicContact CD2-CG2 4.37Å; F35-V66 HydrophobicContact CE2-CG1 3.69Å; F35-V66 HydrophobicContact CG-CB 4.38Å; F35-V66 HydrophobicContact CG-CG1 3.63Å; F35-V66 HydrophobicContact CG-CG2 3.77Å; F35-V66 HydrophobicContact CZ-CG1 4.27Å; M44-V66 HydrophobicContact CE-CB 3.9Å; M44-V66 HydrophobicContact CE-CG1 4.06Å; M44-V66 HydrophobicContact CE-CG2 4.09Å; E62-V66 WeakPolarHBondContact O-CB 3.45Å; E62-V66 WeakPolarHBondContact O-CG1 3.48Å; E62-V66 PolarHBondContact O-N 3.36Å; T63-V66 WeakPolarHBondContact O-CG1 3.4Å; V66-Q69 PolarHBondContact O-N 2.91Å; V66-S70 WeakPolarHBondContact O-CB 3.31Å; V66-S70 PolarHBondContact O-N 3.38Å
67K98Very high97.5Very high80 Ų8059.2 Ų59.235%0.34829%0.293SS..Hα-helixtrans-67.6-40.1172.3-77-176.2178.6-176.50112.1F35 Q42 T63 R64 N65 Q69 S70 Q71F35-K67 HydrophobicContact CE2-CG 4.24Å; F35-K67 HydrophobicContact CZ-CG 4.1Å; Q42-K67 WeakPolarHBondContact O-CE 3.48Å; Q42-K67 PolarHBondContact O-NZ 3.27Å; T63-K67 HydrophobicContact CG2-CD 4.22Å; T63-K67 WeakPolarHBondContact O-CB 3.37Å; T63-K67 VanDerWaalsContact O-CG 3.29Å; T63-K67 WeakPolarHBondContact O-CG 3.35Å; T63-K67 PolarHBondContact O-N 3.47Å; T63-K67 VanDerWaalsContact O-N 3.14Å; R64-K67 PolarHBondContact O-N 2.96Å; N65-K67 PolarHBondContact O-N 3.45Å; K67-Q69 VanDerWaalsContact C-N 3.35Å; K67-S70 PolarHBondContact O-N 3.46Å; K67-Q71 WeakPolarHBondContact O-CG 3.37Å; K67-Q71 PolarHBondContact O-N 2.8Å
68A98Very high97.5Very high56 Ų5654.7 Ų54.746%0.46328%0.282SS..Hα-helixtrans-63.4-41.7174.800000111.5R64 N65 Q71 T72R64-A68 WeakPolarHBondContact O-CB 3.19Å; R64-A68 PolarHBondContact O-N 3.45Å; N65-A68 WeakPolarHBondContact O-CB 3.46Å; N65-A68 PolarHBondContact O-N 3.03Å; A68-Q71 PolarHBondContact O-N 2.93Å; A68-T72 PolarHBondContact O-N 2.94Å; A68-T72 PolarHBondContact O-OG1 3.37Å
69Q97.4Very high97.5Very high64 Ų6456.3 Ų56.330%0.29929%0.293SS..Hα-helixtrans-61.4-46.6173.3-170.762.554.300111.2F21 N65 V66 K67 Q71 T72 D73F21-Q69 HydrophobicContact CE2-CB 4.41Å; F21-Q69 HydrophobicContact CE2-CG 4.01Å; F21-Q69 HydrophobicContact CZ-CB 4.24Å; F21-Q69 HydrophobicContact CZ-CG 4.06Å; N65-Q69 PolarHBondContact O-N 3.49Å; V66-Q69 PolarHBondContact O-N 2.91Å; K67-Q69 VanDerWaalsContact C-N 3.35Å; Q69-Q71 VanDerWaalsContact C-N 3.27Å; Q69-Q71 PolarHBondContact O-N 2.79Å; Q69-T72 WeakPolarHBondContact O-CA 3.38Å; Q69-T72 WeakPolarHBondContact O-CB 3.26Å; Q69-T72 PolarHBondContact O-N 2.97Å; Q69-D73 PolarHBondContact NE2-OD1 2.95Å; Q69-D73 PolarHBondContact O-N 2.94Å
70S97.6Very high97.4Very high19 Ų1955 Ų5513%0.13329%0.289CS..Hα-helixtrans-56.8-38.5177.2174.20000113.4F21 V66 K67 R74F21-S70 WeakPolarHBondContact CB-OG 3.17Å; F21-S70 VanDerWaalsContact CD2-CA 3.4Å; F21-S70 VanDerWaalsContact CG-CB 3.48Å; V66-S70 WeakPolarHBondContact O-CB 3.31Å; V66-S70 PolarHBondContact O-N 3.38Å; K67-S70 PolarHBondContact O-N 3.46Å; S70-R74 PolarHBondContact O-N 2.95Å; S70-R74 VanDerWaalsContact O-N 3.15Å
71Q97.4Very high97.4Very high94 Ų9454.5 Ų54.544%0.43928%0.281SS..Hα-helixtrans-70.4-35.4174.8-66.8-56.2-50.300112.6K67 A68 Q69 R74 V75K67-Q71 WeakPolarHBondContact O-CG 3.37Å; K67-Q71 PolarHBondContact O-N 2.8Å; A68-Q71 PolarHBondContact O-N 2.93Å; Q69-Q71 VanDerWaalsContact C-N 3.27Å; Q69-Q71 PolarHBondContact O-N 2.79Å; Q71-R74 PolarHBondContact O-N 3.4Å; Q71-V75 PolarHBondContact O-N 3.18Å
72T97.5Very high97.3Very high67 Ų6753 Ų5341%0.41129%0.286SS..Hα-helixtrans-65.7-50.9176-55.40000110.3A68 Q69 R74 V75 D76A68-T72 PolarHBondContact O-N 2.94Å; A68-T72 PolarHBondContact O-OG1 3.37Å; Q69-T72 WeakPolarHBondContact O-CA 3.38Å; Q69-T72 WeakPolarHBondContact O-CB 3.26Å; Q69-T72 PolarHBondContact O-N 2.97Å; T72-R74 PolarHBondContact O-N 2.88Å; T72-V75 WeakPolarHBondContact O-CA 3.23Å; T72-V75 WeakPolarHBondContact O-CB 3.12Å; T72-V75 PolarHBondContact O-N 2.85Å; T72-D76 PolarHBondContact O-N 3.18Å
73D97.4Very high97.3Very high0 Ų054.5 Ų54.50%029%0.291CS..Hα-helixtrans-57.8-35.3177.7-76.425.8000112.3S10 F21 Q69 D76 L77S10-D73 WeakPolarHBondContact CB-OD2 3.41Å; S10-D73 WeakPolarHBondContact OG-CB 3.49Å; S10-D73 PolarHBondContact OG-OD2 2.69Å; F21-D73 HydrophobicContact CD2-CB 4.39Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.34Å; Q69-D73 PolarHBondContact NE2-OD1 2.95Å; Q69-D73 PolarHBondContact O-N 2.94Å; D73-D76 PolarHBondContact O-N 2.67Å; D73-L77 WeakPolarHBondContact O-CB 3.45Å; D73-L77 WeakPolarHBondContact O-CG 3.27Å; D73-L77 PolarHBondContact O-N 3.1Å
74R96.6Very high97.3Very high95 Ų9557 Ų5736%0.35830%0.299SS..Hα-helixtrans-61-44.9174.3176.5176.772.5160.43.8112.1E18 P19 S70 Q71 T72 D76E18-R74 IonicContact OE1-NH1 3.78Å; E18-R74 PolarHBondContact OE1-NH1 2.86Å; E18-R74 WeakPolarHBondContact OE2-CD 3.37Å; E18-R74 IonicContact OE2-CZ 2.72Å; E18-R74 IonicContact OE2-NE 2.83Å; E18-R74 IonicContact OE2-NH1 3.18Å; E18-R74 PolarHBondContact OE2-NH1 3.25Å; P19-R74 HydrophobicContact CG-CB 4.42Å; P19-R74 HydrophobicContact CG-CG 4.13Å; S70-R74 PolarHBondContact O-N 2.95Å; S70-R74 VanDerWaalsContact O-N 3.15Å; Q71-R74 PolarHBondContact O-N 3.4Å; T72-R74 PolarHBondContact O-N 2.88Å; R74-D76 VanDerWaalsContact C-N 3.34Å
75V97.1Very high97.2Very high90 Ų9056.7 Ų56.755%0.54531%0.309SS..Hα-helixtrans-68.6-39.5177.6175.90000110.2Q71 T72 L77 G78 T79Q71-V75 PolarHBondContact O-N 3.18Å; T72-V75 WeakPolarHBondContact O-CA 3.23Å; T72-V75 WeakPolarHBondContact O-CB 3.12Å; T72-V75 PolarHBondContact O-N 2.85Å; V75-L77 PolarHBondContact O-N 2.89Å; V75-G78 PolarHBondContact O-N 3.34Å; V75-T79 PolarHBondContact O-N 2.7Å; V75-T79 PolarHBondContact O-OG1 3.18Å
76D97.6Very high97.2Very high50 Ų5056.1 Ų56.127%0.26730%0.304SS..Hα-helixtrans-66.1-37.6179.2-70.1-18.3000111.7T72 D73 R74 G78 T79 L80 I94T72-D76 PolarHBondContact O-N 3.18Å; D73-D76 PolarHBondContact O-N 2.67Å; R74-D76 VanDerWaalsContact C-N 3.34Å; D76-G78 VanDerWaalsContact C-N 3.29Å; D76-G78 PolarHBondContact O-N 2.83Å; D76-T79 PolarHBondContact O-N 3.36Å; D76-T79 VanDerWaalsContact O-N 3.09Å; D76-L80 WeakPolarHBondContact O-CB 3.29Å; D76-L80 VanDerWaalsContact O-CG 3.3Å; D76-L80 WeakPolarHBondContact O-CG 3.36Å; D76-L80 PolarHBondContact O-N 3.18Å; D76-I94 HydrophobicContact CB-CD1 3.65Å
77L97.4Very high97Very high9 Ų959.4 Ų59.45%0.04733%0.328CS..Hα-helixtrans-56.6-42.8173.6-82.2165.9000111.7P19 D73 V75 R81 H92 I94 Y117P19-L77 HydrophobicContact CB-CD1 3.63Å; P19-L77 HydrophobicContact CG-CD1 3.69Å; D73-L77 WeakPolarHBondContact O-CB 3.45Å; D73-L77 WeakPolarHBondContact O-CG 3.27Å; D73-L77 PolarHBondContact O-N 3.1Å; V75-L77 PolarHBondContact O-N 2.89Å; L77-R81 VanDerWaalsContact O-CB 3.28Å; L77-R81 WeakPolarHBondContact O-CB 3.46Å; L77-R81 PolarHBondContact O-N 3.09Å; L77-H92 HydrophobicContact CD2-CB 4.08Å; L77-I94 HydrophobicContact CB-CD1 4.38Å; L77-I94 HydrophobicContact CD2-CD1 3.99Å; L77-I94 HydrophobicContact CD2-CG1 3.79Å; L77-I94 HydrophobicContact CG-CD1 3.75Å; L77-I94 HydrophobicContact CG-CG1 4.09Å; L77-Y117 HydrophobicContact CD2-CE2 4.37Å
78G95.4Very high96.5Very high35 Ų3562.2 Ų62.236%0.36134%0.342SS..Hα-helixtrans-69-38.9175.500000112.8V75 D76 G82V75-G78 PolarHBondContact O-N 3.34Å; D76-G78 VanDerWaalsContact C-N 3.29Å; D76-G78 PolarHBondContact O-N 2.83Å; G78-G82 PolarHBondContact O-N 2.71Å
79T97.2Very high96.2Very high49 Ų4963.7 Ų63.730%0.30135%0.354SS..Hα-helixtrans-66.4-48.8179.5-60.30000111.7V75 D76 G82 Y83V75-T79 PolarHBondContact O-N 2.7Å; V75-T79 PolarHBondContact O-OG1 3.18Å; D76-T79 PolarHBondContact O-N 3.36Å; D76-T79 VanDerWaalsContact O-N 3.09Å; T79-G82 WeakPolarHBondContact O-CA 3.34Å; T79-G82 PolarHBondContact O-N 3Å; T79-G82 VanDerWaalsContact O-N 3.14Å; T79-Y83 HydrophobicContact CG2-CD1 4.4Å; T79-Y83 HydrophobicContact CG2-CD2 4.43Å; T79-Y83 HydrophobicContact CG2-CE1 3.8Å; T79-Y83 HydrophobicContact CG2-CE2 3.84Å; T79-Y83 VanDerWaalsContact CG2-CZ 3.48Å; T79-Y83 PolarHBondContact O-N 3.2Å
80L97.7Very high95.9Very high11 Ų1161.6 Ų61.66%0.05835%0.35CS..Hα-helixtrans-63.5-44.1179.2-67.8176.8000111.1D76 G82 Y83 Y84 I94 Y117 Y122D76-L80 WeakPolarHBondContact O-CB 3.29Å; D76-L80 VanDerWaalsContact O-CG 3.3Å; D76-L80 WeakPolarHBondContact O-CG 3.36Å; D76-L80 PolarHBondContact O-N 3.18Å; L80-G82 PolarHBondContact O-N 3.29Å; L80-Y83 HydrophobicContact CD2-CD2 4.19Å; L80-Y83 PolarHBondContact O-N 3.16Å; L80-Y84 HydrophobicContact CD2-CE2 4.47Å; L80-Y84 VanDerWaalsContact O-CD2 3.23Å; L80-Y84 WeakPolarHBondContact O-CD2 3.43Å; L80-Y84 PolarHBondContact O-N 3.37Å; L80-I94 HydrophobicContact CD1-CD1 3.59Å; L80-I94 HydrophobicContact CD1-CG1 3.72Å; L80-Y117 HydrophobicContact CB-CD1 4.41Å; L80-Y117 HydrophobicContact CB-CD2 4.17Å; L80-Y117 HydrophobicContact CB-CE1 4.07Å; L80-Y117 HydrophobicContact CB-CE2 3.81Å; L80-Y117 HydrophobicContact CB-CG 4.45Å; L80-Y117 HydrophobicContact CD1-CD2 3.45Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.45Å; L80-Y117 HydrophobicContact CD1-CE2 3.85Å; L80-Y117 HydrophobicContact CD1-CG 3.84Å; L80-Y117 HydrophobicContact CG-CD2 4.44Å; L80-Y122 HydrophobicContact CD2-CD2 4.36Å; L80-Y122 HydrophobicContact CD2-CE1 3.78Å; L80-Y122 HydrophobicContact CD2-CE2 3.61Å; L80-Y122 VanDerWaalsContact CD2-OH 3.28Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.39Å
81R96.3Very high95.9Very high70 Ų7064.1 Ų64.126%0.26437%0.368SS..Hα-helixtrans-53-41.6173.2-173.2-175.267.8177.310.8111.7L77 N85 Q86 E88L77-R81 VanDerWaalsContact O-CB 3.28Å; L77-R81 WeakPolarHBondContact O-CB 3.46Å; L77-R81 PolarHBondContact O-N 3.09Å; R81-N85 PolarHBondContact O-N 2.83Å; R81-N85 VanDerWaalsContact O-N 3.13Å; R81-Q86 HydrophobicContact CG-CB 3.82Å; R81-Q86 PolarHBondContact O-N 2.64Å; R81-E88 IonicContact CZ-OE1 3.71Å; R81-E88 IonicContact NH1-OE1 3.37Å; R81-E88 IonicContact NH2-OE1 3.01Å; R81-E88 PolarHBondContact NH2-OE1 3.45Å
82G96.4Very high95.9Very high44 Ų4460.3 Ų60.345%0.45435%0.35SS..Hα-helixtrans-65.5-46.5174.600000113.2G78 T79 L80 Y84 N85G78-G82 PolarHBondContact O-N 2.71Å; T79-G82 WeakPolarHBondContact O-CA 3.34Å; T79-G82 PolarHBondContact O-N 3Å; T79-G82 VanDerWaalsContact O-N 3.14Å; L80-G82 PolarHBondContact O-N 3.29Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 2.99Å; G82-N85 PolarHBondContact O-N 3.45Å; G82-N85 VanDerWaalsContact O-N 3.15Å
83Y97.8Very high95.9Very high56 Ų5658.7 Ų58.722%0.2234%0.34CS..Hα-helixtrans-60.2-36.4178.2-68.1-9.5000112.9T79 L80 I141 K145T79-Y83 HydrophobicContact CG2-CD1 4.4Å; T79-Y83 HydrophobicContact CG2-CD2 4.43Å; T79-Y83 HydrophobicContact CG2-CE1 3.8Å; T79-Y83 HydrophobicContact CG2-CE2 3.84Å; T79-Y83 VanDerWaalsContact CG2-CZ 3.48Å; T79-Y83 PolarHBondContact O-N 3.2Å; L80-Y83 HydrophobicContact CD2-CD2 4.19Å; L80-Y83 PolarHBondContact O-N 3.16Å; Y83-I141 HydrophobicContact CD1-CD1 4.24Å; Y83-I141 HydrophobicContact CD2-CD1 4.46Å; Y83-I141 HydrophobicContact CE1-CD1 4.42Å; Y83-I141 HydrophobicContact CE1-CG2 4.15Å; Y83-I141 HydrophobicContact CE2-CB 4.15Å; Y83-I141 HydrophobicContact CE2-CG2 4.06Å; Y83-I141 HydrophobicContact CG-CD1 4.27Å; Y83-K145 PolarHBondContact OH-NZ 3.37Å
84Y97.4Very high96Very high66 Ų6659 Ų5926%0.25934%0.342SS..THydrogen-bonded Turntrans-91.23179.5-69.6-72.2000113.9L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.47Å; L80-Y84 VanDerWaalsContact O-CD2 3.23Å; L80-Y84 WeakPolarHBondContact O-CD2 3.43Å; L80-Y84 PolarHBondContact O-N 3.37Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 2.99Å; Y84-Q86 PolarHBondContact O-N 2.85Å; Y84-Y117 AromaticContact CD2-CD1 3.74Å; Y84-Y117 HydrophobicContact CD2-CD1 3.74Å; Y84-Y117 AromaticContact CD2-CE1 3.53Å; Y84-Y117 HydrophobicContact CD2-CE1 3.53Å; Y84-Y117 AromaticContact CE2-CD1 3.55Å; Y84-Y117 HydrophobicContact CE2-CD1 3.55Å; Y84-Y117 AromaticContact CE2-CE1 3.86Å; Y84-Y117 HydrophobicContact CE2-CE1 3.86Å; Y84-Y117 HydrophobicContact CG-CE1 4.4Å; Y84-Y122 HydrophobicContact CE2-CD2 4.41Å; Y84-Y122 HydrophobicContact CE2-CE2 4.14Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.39Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.5Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.47Å; Y84-D136 VanDerWaalsContact OH-CG 3.23Å; Y84-D136 PolarHBondContact OH-OD1 2.95Å; Y84-D136 VanDerWaalsContact OH-OD1 3.12Å; Y84-D136 PolarHBondContact OH-OD2 2.99Å; Y84-A138 HydrophobicContact CD1-CB 4.16Å; Y84-A138 HydrophobicContact CD2-CB 4.47Å; Y84-A138 HydrophobicContact CE1-CB 3.59Å; Y84-A138 HydrophobicContact CE2-CB 3.94Å; Y84-A138 VanDerWaalsContact CZ-CB 3.47Å
85N96.3Very high96.1Very high151 Ų15158.3 Ų58.381%0.80734%0.342SS*.THydrogen-bonded Turntrans51.840.1-177.2-58.1-59.6000113.3R81 G82R81-N85 PolarHBondContact O-N 2.83Å; R81-N85 VanDerWaalsContact O-N 3.13Å; G82-N85 PolarHBondContact O-N 3.45Å; G82-N85 VanDerWaalsContact O-N 3.15Å
86Q96.3Very high96.2Very high62 Ų6254.3 Ų54.329%0.2932%0.318SS..  trans-87.2155.9-177.5-70.9165.2-38.200111.8R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.82Å; R81-Q86 PolarHBondContact O-N 2.64Å; Y84-Q86 PolarHBondContact O-N 2.85Å; Q86-H92 PolarHBondContact NE2-CE1 3.23Å; Q86-H92 PolarHBondContact OE1-CE1 2.75Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.31Å; Q86-Y117 PolarHBondContact OE1-OH 2.87Å; Q86-D118 PolarHBondContact NE2-OD2 2.89Å
87S93.5Very high96.2Very high80 Ų8053.2 Ų53.256%0.55931%0.312SS*.  trans-75.5154-177.374.90000112.4A89 G90S87-A89 PolarHBondContact O-N 3.26Å; S87-G90 PolarHBondContact O-N 2.88Å
88E88.9Confident96.3Very high138 Ų13855.9 Ų55.965%0.64532%0.322SS*.THydrogen-bonded Turntrans-71.4-18.9178.3-55.5-155.912500113.9P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.44Å; R81-E88 IonicContact CZ-OE1 3.71Å; R81-E88 IonicContact NH1-OE1 3.37Å; R81-E88 IonicContact NH2-OE1 3.01Å; R81-E88 PolarHBondContact NH2-OE1 3.45Å; E88-G90 VanDerWaalsContact C-N 3.31Å
89A90.4Very high96.4Very high87 Ų8754.2 Ų54.272%0.71930%0.304SS*.THydrogen-bonded Turntrans-79.4-15.1179.200000112.8S87S87-A89 PolarHBondContact O-N 3.26Å
90G92.3Very high96.5Very high21 Ų2151.9 Ų51.922%0.21629%0.29CS..SBendtrans-74.8133.9178.800000112.5P14 S87 E88 H92P14-G90 WeakPolarHBondContact CG-O 3.42Å; S87-G90 PolarHBondContact O-N 2.88Å; E88-G90 VanDerWaalsContact C-N 3.31Å; G90-H92 PolarHBondContact O-CD2 3.47Å
91S96.4Very high96.5Very high72 Ų7252.7 Ų52.750%0.50329%0.294SS..  trans-82.1135.1164.4-178.90000108.8S12S12-S91 PolarHBondContact O-OG 3.27Å; S12-S91 WeakPolarHBondContact OG-CA 3.39Å
92H97.8Very high96.6Very high13 Ų1349.4 Ų49.46%0.0628%0.282CS..  trans-131.8152.3-174.7-65-72.1000110.2S12 L77 Q86 G90 Y117 D118S12-H92 PolarHBondContact N-O 2.98Å; S12-H92 PolarHBondContact OG-N 2.95Å; S12-H92 PolarHBondContact OG-O 3.26Å; L77-H92 HydrophobicContact CD2-CB 4.08Å; Q86-H92 PolarHBondContact NE2-CE1 3.23Å; Q86-H92 PolarHBondContact OE1-CE1 2.75Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.31Å; G90-H92 PolarHBondContact O-CD2 3.47Å; H92-Y117 HydrophobicContact CB-CE2 3.87Å; H92-Y117 WeakPolarHBondContact CB-OH 3.46Å; H92-Y117 VanDerWaalsContact CG-OH 3.22Å; H92-Y117 AromaticContact ND1-CZ 3.92Å; H92-Y117 PolarHBondContact ND1-OH 3.35Å; H92-D118 WeakPolarHBondContact CA-OD1 3.29Å; H92-D118 WeakPolarHBondContact CB-OD1 3.47Å; H92-D118 IonicContact CE1-OD2 3.71Å; H92-D118 IonicContact CG-OD1 3.84Å; H92-D118 IonicContact CG-OD2 3.03Å; H92-D118 IonicContact ND1-OD1 2.76Å; H92-D118 IonicContact ND1-OD2 3.5Å; H92-D118 PolarHBondContact ND1-OD2 2.78Å
93T98.5Very high96.6Very high34 Ų3447.7 Ų47.721%0.20927%0.265CS..EExtended strand (participates in β ladder)trans-126.5130.2-175.5-53.70000111.2T9 S10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 3.73Å; S10-T93 CarbonylContact O-C 3.54Å; S10-T93 VanDerWaalsContact O-CA 3.27Å; S10-T93 WeakPolarHBondContact O-CA 3.27Å; V11-T93 HydrophobicContact CG2-CG2 4.17Å; T93-Q95 HydrophobicContact CG2-CG 3.95Å; T93-Y117 CarbonylContact O-C 3.53Å; T93-Y117 WeakPolarHBondContact O-CA 3.4Å; T93-Y117 VanDerWaalsContact O-CD2 3.25Å; T93-Y117 WeakPolarHBondContact O-CD2 3.46Å; T93-D118 PolarHBondContact N-OD1 3.42Å; T93-D118 PolarHBondContact O-N 3Å
94I98.6Very high96.3Very high6 Ų650.9 Ų50.93%0.03130%0.295CS..EExtended strand (participates in β ladder)trans-105.3134.8163.5-66.1174.5000108T9 S10 D76 L77 L80 I96 A116 Y117T9-I94 WeakPolarHBondContact CA-O 3.41Å; S10-I94 PolarHBondContact N-O 3.35Å; S10-I94 PolarHBondContact O-N 3.36Å; D76-I94 HydrophobicContact CB-CD1 3.65Å; L77-I94 HydrophobicContact CB-CD1 4.38Å; L77-I94 HydrophobicContact CD2-CD1 3.99Å; L77-I94 HydrophobicContact CD2-CG1 3.79Å; L77-I94 HydrophobicContact CG-CD1 3.75Å; L77-I94 HydrophobicContact CG-CG1 4.09Å; L80-I94 HydrophobicContact CD1-CD1 3.59Å; L80-I94 HydrophobicContact CD1-CG1 3.72Å; I94-I96 HydrophobicContact CG2-CD1 4.32Å; I94-I96 HydrophobicContact CG2-CG1 4.01Å; I94-A116 WeakPolarHBondContact CA-O 3.25Å; I94-Y117 HydrophobicContact CG1-CD2 3.84Å; I94-Y117 HydrophobicContact CG1-CE2 4.26Å
95Q98.8Very high96.2Very high80 Ų8051.8 Ų51.837%0.37430%0.304SS..EExtended strand (participates in β ladder)trans-125135172.2-63172.2-97.300109.3S8 T9 T93 H115 A116S8-Q95 CarbonylContact O-C 3.56Å; S8-Q95 VanDerWaalsContact O-CA 3.31Å; S8-Q95 WeakPolarHBondContact O-CA 3.29Å; T9-Q95 HydrophobicContact CG2-CG 4.08Å; T93-Q95 HydrophobicContact CG2-CG 3.95Å; Q95-H115 CarbonylContact O-C 3.55Å; Q95-H115 WeakPolarHBondContact O-CA 3.46Å; Q95-A116 HydrophobicContact CB-CB 4.29Å; Q95-A116 PolarHBondContact N-O 3.29Å; Q95-A116 PolarHBondContact O-N 2.71Å
96I98.5Very high96Very high7 Ų745.3 Ų45.34%0.03627%0.273CS..EExtended strand (participates in β ladder)trans-127135178.4-54.5173.8000108.3F7 S8 I94 Y98 Q114 H115F7-I96 CarbonylContact C-O 3.57Å; F7-I96 VanDerWaalsContact CA-O 3.27Å; F7-I96 WeakPolarHBondContact CA-O 3.38Å; S8-I96 PolarHBondContact N-O 2.7Å; S8-I96 PolarHBondContact O-N 2.87Å; I94-I96 HydrophobicContact CG2-CD1 4.32Å; I94-I96 HydrophobicContact CG2-CG1 4.01Å; I96-Y98 HydrophobicContact CG2-CD1 4.27Å; I96-Q114 CarbonylContact C-O 3.5Å; I96-Q114 WeakPolarHBondContact CA-O 3.09Å; I96-H115 VanDerWaalsContact CD1-CE1 3.44Å; I96-H115 WeakPolarHBondContact CD1-CE1 3.25Å
97M98.6Very high96Very high27 Ų2750.4 Ų50.413%0.13329%0.29CS..EExtended strand (participates in β ladder)trans-126130.8168.9-178.1-80.5-66.900109.6Y6 F7 Y112 Q113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.45Å; F7-M97 HydrophobicContact CD1-CB 3.83Å; F7-M97 HydrophobicContact CD1-CG 3.61Å; F7-M97 HydrophobicContact CE1-CB 3.96Å; F7-M97 HydrophobicContact CE1-CG 3.29Å; F7-M97 HydrophobicContact CG-CG 4.43Å; F7-M97 HydrophobicContact CZ-CG 3.87Å; M97-Y112 HydrophobicContact CE-CD1 4.17Å; M97-Y112 HydrophobicContact CE-CG 4.28Å; M97-Y112 HydrophobicContact SD-CG 4.38Å; M97-Q113 CarbonylContact O-C 3.52Å; M97-Q113 WeakPolarHBondContact O-CA 3.43Å; M97-Q114 HydrophobicContact CE-CB 4.37Å; M97-Q114 HydrophobicContact CE-CG 4.09Å; M97-Q114 PolarHBondContact N-O 3.36Å; M97-Q114 PolarHBondContact O-N 2.91Å
98Y98.4Very high96.3Very high65 Ų6549.4 Ų49.426%0.25528%0.275SS..EExtended strand (participates in β ladder)trans-147.8158.3175.472.9-91.7000112.2R5 Y6 I96 Y112 Y158R5-Y98 CarbonylContact C-O 3.6Å; R5-Y98 WeakPolarHBondContact CA-O 3.35Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.48Å; Y6-Y98 HydrophobicContact CD2-CD2 4.31Å; Y6-Y98 AromaticContact CD2-CE2 3.64Å; Y6-Y98 HydrophobicContact CD2-CE2 3.64Å; Y6-Y98 AromaticContact CD2-CZ 3.9Å; Y6-Y98 HydrophobicContact CE2-CE2 4.42Å; Y6-Y98 HydrophobicContact CG-CE1 4.34Å; Y6-Y98 HydrophobicContact CG-CE2 4.01Å; Y6-Y98 AromaticContact CG-CZ 3.77Å; Y6-Y98 PolarHBondContact N-O 3.44Å; Y6-Y98 PolarHBondContact O-N 2.96Å; I96-Y98 HydrophobicContact CG2-CD1 4.27Å; Y98-Y112 WeakPolarHBondContact CA-O 3.45Å; Y98-Y112 WeakPolarHBondContact CB-O 3.35Å; Y98-Y158 HydrophobicContact CD2-CE1 4.05Å; Y98-Y158 HydrophobicContact CE2-CE1 4.01Å
99G98.4Very high96.7Very high0 Ų048 Ų480%027%0.272CS..EExtended strand (participates in β ladder)trans156.6-174.2-179.100000113.9M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.52Å; M4-G99 WeakPolarHBondContact O-CA 3.45Å; G99-G111 CarbonylContact O-C 3.57Å; G99-G111 WeakPolarHBondContact O-CA 3.21Å; G99-Y112 PolarHBondContact N-O 2.9Å; G99-Y112 VanDerWaalsContact N-O 3.11Å; G99-Y112 PolarHBondContact O-N 3.49Å; G99-L159 VanDerWaalsContact O-CD2 3.23Å; G99-L159 WeakPolarHBondContact O-CD2 3.22Å
100C98.6Very high97Very high0 Ų048.1 Ų48.10%025%0.254CS..EExtended strand (participates in β ladder)trans-138.4153.5-175.158.10000111.8S3 M4 F108 R110 C163S3-C100 WeakPolarHBondContact CA-O 3.26Å; M4-C100 PolarHBondContact N-O 3.48Å; M4-C100 PolarHBondContact O-N 2.89Å; C100-F108 HydrophobicContact CB-CD2 4.4Å; C100-F108 HydrophobicContact CB-CE2 4.1Å; C100-R110 CarbonylContact C-O 3.52Å; C100-R110 VanDerWaalsContact CA-O 3.28Å; C100-R110 WeakPolarHBondContact CA-O 3.49Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.45Å; C100-C163 PolarHBondContact N-SG 2.85Å; C100-C163 VanDerWaalsContact N-SG 3.36Å; C100-C163 WeakPolarHBondContact SG-CB 3.44Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.44Å
101D98.4Very high97.3Very high28 Ų2847.4 Ų47.415%0.1525%0.246CC..EExtended strand (participates in β ladder)trans-115.1143.6174.5-64.7-1.2000109.9H2 S3 R5 L109 R110 Y112H2-D101 CarbonylContact O-C 3.56Å; H2-D101 WeakPolarHBondContact O-CA 3.38Å; S3-D101 WeakPolarHBondContact CB-OD1 3.49Å; R5-D101 IonicContact CZ-OD1 2.78Å; R5-D101 IonicContact NE-OD1 2.71Å; R5-D101 PolarHBondContact NE-OD1 3.36Å; R5-D101 VanDerWaalsContact NH2-CG 3.26Å; R5-D101 IonicContact NH2-OD1 3.38Å; R5-D101 PolarHBondContact NH2-OD1 3.42Å; R5-D101 IonicContact NH2-OD2 3.6Å; R5-D101 PolarHBondContact NH2-OD2 2.92Å; D101-L109 HydrophobicContact CB-CB 4.36Å; D101-L109 PolarHBondContact O-N 3.49Å; D101-R110 HydrophobicContact CB-CB 4.36Å; D101-R110 PolarHBondContact N-O 2.96Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.46Å; D101-Y112 PolarHBondContact OD2-OH 2.97Å
102V98.3Very high97.3Very high0 Ų045.5 Ų45.50%023%0.228CC..EExtended strand (participates in β ladder)trans-126.2146.9176-61.30000111.8S1 H2 R107 V164 L167 L171S1-V102 WeakPolarHBondContact CA-O 3.27Å; S1-V102 VanDerWaalsContact CB-O 3.31Å; S1-V102 WeakPolarHBondContact CB-O 3.25Å; H2-V102 HydrophobicContact CB-CG2 4Å; H2-V102 PolarHBondContact N-O 3.31Å; H2-V102 PolarHBondContact O-N 3.48Å; V102-R107 CarbonylContact C-O 3.58Å; V102-R107 WeakPolarHBondContact CA-O 3.39Å; V102-R107 WeakPolarHBondContact CB-O 3.29Å; V102-V164 HydrophobicContact CG1-CB 4.38Å; V102-V164 HydrophobicContact CG1-CG1 3.88Å; V102-V164 HydrophobicContact CG1-CG2 4.04Å; V102-L167 HydrophobicContact CB-CD2 4.33Å; V102-L167 HydrophobicContact CG1-CD2 3.93Å; V102-L167 HydrophobicContact CG2-CD2 3.61Å; V102-L167 HydrophobicContact CG2-CG 4.15Å; V102-L171 HydrophobicContact CG2-CD1 4.48Å
103G96.7Very high97.4Very high9 Ų945.7 Ų45.79%0.09323%0.229CC..  trans-67.7173.8173.600000112.1D105 G106 R107G103-D105 PolarHBondContact O-N 2.89Å; G103-G106 WeakPolarHBondContact O-CA 3.18Å; G103-G106 PolarHBondContact O-N 3.45Å; G103-R107 PolarHBondContact N-O 3.42Å
104S92.4Very high97.4Very high122 Ų12247.7 Ų47.785%0.85324%0.236SC*.THydrogen-bonded Turntrans-61.7-23.5171.5480000112.9
105D93.3Very high97.4Very high86 Ų8648.3 Ų48.346%0.4624%0.239SC..THydrogen-bonded Turntrans-83.94171.862.27.6000113.4G103 R107G103-D105 PolarHBondContact O-N 2.89Å; D105-R107 PolarHBondContact O-N 3.41Å; D105-R107 WeakPolarHBondContact OD1-CB 3.41Å; D105-R107 PolarHBondContact OD1-N 3.13Å; D105-R107 IonicContact OD1-NE 3.62Å; D105-R107 IonicContact OD2-CZ 2.7Å; D105-R107 IonicContact OD2-NE 3.99Å; D105-R107 PolarHBondContact OD2-NE 2.65Å; D105-R107 IonicContact OD2-NH2 3.6Å; D105-R107 PolarHBondContact OD2-NH2 2.95Å
106G93.4Very high97.3Very high15 Ų1545.3 Ų45.316%0.15523%0.228CC..  trans72.74.6-178.700000114.5G103 R168G103-G106 WeakPolarHBondContact O-CA 3.18Å; G103-G106 PolarHBondContact O-N 3.45Å; G106-R168 PolarHBondContact O-NE 2.89Å; G106-R168 PolarHBondContact O-NH2 2.87Å
107R96.8Very high97.4Very high168 Ų16845.5 Ų45.563%0.63423%0.228SC*.  trans-77.1147.7178.1-68.4-170.7-69.7171.2-3.5111.4V102 G103 D105 L109V102-R107 CarbonylContact C-O 3.58Å; V102-R107 WeakPolarHBondContact CA-O 3.39Å; V102-R107 WeakPolarHBondContact CB-O 3.29Å; G103-R107 PolarHBondContact N-O 3.42Å; D105-R107 PolarHBondContact O-N 3.41Å; D105-R107 WeakPolarHBondContact OD1-CB 3.41Å; D105-R107 PolarHBondContact OD1-N 3.13Å; D105-R107 IonicContact OD1-NE 3.62Å; D105-R107 IonicContact OD2-CZ 2.7Å; D105-R107 IonicContact OD2-NE 3.99Å; D105-R107 PolarHBondContact OD2-NE 2.65Å; D105-R107 IonicContact OD2-NH2 3.6Å; D105-R107 PolarHBondContact OD2-NH2 2.95Å; R107-L109 PolarHBondContact O-N 2.88Å
108F98.2Very high97.3Very high59 Ų5947.1 Ų47.126%0.25924%0.237SC..EExtended strand (participates in β ladder)trans-54.8131.9175.4-179.5-102000111.2C100 R110 G111 L129 L159 E160 V164C100-F108 HydrophobicContact CB-CD2 4.4Å; C100-F108 HydrophobicContact CB-CE2 4.1Å; F108-R110 VanDerWaalsContact CE2-C 3.46Å; F108-R110 VanDerWaalsContact CE2-O 3.29Å; F108-R110 WeakPolarHBondContact CE2-O 3.4Å; F108-G111 VanDerWaalsContact CZ-N 3.33Å; F108-L129 HydrophobicContact CE1-CD1 4Å; F108-L129 HydrophobicContact CZ-CD1 3.72Å; F108-L159 WeakPolarHBondContact CD2-O 3.28Å; F108-L159 WeakPolarHBondContact CE2-O 3.35Å; F108-E160 HydrophobicContact CD1-CG 4.1Å; F108-E160 HydrophobicContact CE1-CG 3.87Å; F108-E160 HydrophobicContact CE2-CG 4.39Å; F108-E160 HydrophobicContact CG-CG 4.45Å; F108-E160 HydrophobicContact CZ-CG 4.02Å; F108-V164 HydrophobicContact CB-CG2 4.01Å; F108-V164 HydrophobicContact CD2-CG2 3.64Å; F108-V164 HydrophobicContact CG-CG2 4.3Å
109L97.6Very high97.3Very high108 Ų10846.7 Ų46.757%0.56525%0.253SS*.EExtended strand (participates in β ladder)trans-112.7-48.3174.3-67.1-178.5000111.8D101 R107D101-L109 HydrophobicContact CB-CB 4.36Å; D101-L109 PolarHBondContact O-N 3.49Å; R107-L109 PolarHBondContact O-N 2.88Å
110R97.4Very high97.3Very high91 Ų9154.3 Ų54.334%0.34329%0.286SS..EExtended strand (participates in β ladder)trans-155.7148.8-171.6-172.7163.2170.7145.89111.4C100 D101 F108 Y112 E127C100-R110 CarbonylContact C-O 3.52Å; C100-R110 VanDerWaalsContact CA-O 3.28Å; C100-R110 WeakPolarHBondContact CA-O 3.49Å; D101-R110 HydrophobicContact CB-CB 4.36Å; D101-R110 PolarHBondContact N-O 2.96Å; F108-R110 VanDerWaalsContact CE2-C 3.46Å; F108-R110 VanDerWaalsContact CE2-O 3.29Å; F108-R110 WeakPolarHBondContact CE2-O 3.4Å; R110-Y112 HydrophobicContact CB-CE2 4.17Å; R110-Y112 WeakPolarHBondContact CD-OH 3.49Å; R110-Y112 HydrophobicContact CG-CE1 4.21Å; R110-Y112 HydrophobicContact CG-CE2 3.79Å; R110-Y112 VanDerWaalsContact NE-CE1 3.32Å; R110-Y112 PolarHBondContact NE-OH 3.35Å; R110-E127 IonicContact CZ-OE1 3.96Å; R110-E127 VanDerWaalsContact NH1-CD 3.28Å; R110-E127 IonicContact NH1-OE1 2.72Å; R110-E127 PolarHBondContact NH1-OE1 2.88Å; R110-E127 IonicContact NH1-OE2 3.91Å; R110-E127 IonicContact NH2-OE1 3.35Å; R110-E127 PolarHBondContact NH2-OE1 2.72Å
111G97.9Very high97.3Very high5 Ų560.6 Ų60.65%0.05232%0.32CS..EExtended strand (participates in β ladder)trans-123.4153.9174.700000110.9G99 F108G99-G111 CarbonylContact O-C 3.57Å; G99-G111 WeakPolarHBondContact O-CA 3.21Å; F108-G111 VanDerWaalsContact CZ-N 3.33Å
112Y97.7Very high97.3Very high32 Ų3259.8 Ų59.813%0.12531%0.314CS..EExtended strand (participates in β ladder)trans-134.9139.6-176.8-55.8-93.9000110.2R5 M97 Y98 G99 D101 R110R5-Y112 VanDerWaalsContact CZ-CE2 3.41Å; R5-Y112 VanDerWaalsContact NH2-CZ 3.27Å; R5-Y112 PolarHBondContact NH2-OH 3.42Å; M97-Y112 HydrophobicContact CE-CD1 4.17Å; M97-Y112 HydrophobicContact CE-CG 4.28Å; M97-Y112 HydrophobicContact SD-CG 4.38Å; Y98-Y112 WeakPolarHBondContact CA-O 3.45Å; Y98-Y112 WeakPolarHBondContact CB-O 3.35Å; G99-Y112 PolarHBondContact N-O 2.9Å; G99-Y112 VanDerWaalsContact N-O 3.11Å; G99-Y112 PolarHBondContact O-N 3.49Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.46Å; D101-Y112 PolarHBondContact OD2-OH 2.97Å; R110-Y112 HydrophobicContact CB-CE2 4.17Å; R110-Y112 WeakPolarHBondContact CD-OH 3.49Å; R110-Y112 HydrophobicContact CG-CE1 4.21Å; R110-Y112 HydrophobicContact CG-CE2 3.79Å; R110-Y112 VanDerWaalsContact NE-CE1 3.32Å; R110-Y112 PolarHBondContact NE-OH 3.35Å
113Q98.2Very high97.3Very high18 Ų1860 Ų608%0.08432%0.315CS..EExtended strand (participates in β ladder)trans-151.6110.2164.2173.878.1-14.200106.7M97 H115 L125 W132 L155M97-Q113 CarbonylContact O-C 3.52Å; M97-Q113 WeakPolarHBondContact O-CA 3.43Å; Q113-H115 PolarHBondContact NE2-NE2 3.03Å; Q113-L125 HydrophobicContact CB-CB 3.85Å; Q113-L125 HydrophobicContact CB-CD2 4.15Å; Q113-L125 PolarHBondContact O-N 2.98Å; Q113-W132 HydrophobicContact CG-CH2 4.09Å; Q113-W132 HydrophobicContact CG-CZ3 4.12Å; Q113-L155 HydrophobicContact CB-CD1 4.29Å; Q113-L155 HydrophobicContact CG-CD1 3.82Å; Q113-L155 HydrophobicContact CG-CD2 4.5Å
114Q98.3Very high97.4Very high75 Ų7560.9 Ų60.935%0.3532%0.322SS..EExtended strand (participates in β ladder)trans-136.6136.6-174.7-59.5179.85.800109.7I96 M97 A124I96-Q114 CarbonylContact C-O 3.5Å; I96-Q114 WeakPolarHBondContact CA-O 3.09Å; M97-Q114 HydrophobicContact CE-CB 4.37Å; M97-Q114 HydrophobicContact CE-CG 4.09Å; M97-Q114 PolarHBondContact N-O 3.36Å; M97-Q114 PolarHBondContact O-N 2.91Å; Q114-A124 HydrophobicContact CG-CB 4Å
115H98.6Very high97.7Very high20 Ų2055.7 Ų55.79%0.09328%0.284CS..EExtended strand (participates in β ladder)trans-123.5137.4-179.1-70-126.6000108.4Q95 I96 Q113 Y122 I123 W146Q95-H115 CarbonylContact O-C 3.55Å; Q95-H115 WeakPolarHBondContact O-CA 3.46Å; I96-H115 VanDerWaalsContact CD1-CE1 3.44Å; I96-H115 WeakPolarHBondContact CD1-CE1 3.25Å; Q113-H115 PolarHBondContact NE2-NE2 3.03Å; H115-Y122 HydrophobicContact CB-CD1 4.32Å; H115-Y122 WeakPolarHBondContact O-CA 3.33Å; H115-Y122 WeakPolarHBondContact O-CB 3.4Å; H115-Y122 PolarHBondContact O-N 3.43Å; H115-I123 HydrophobicContact CB-CG2 3.93Å; H115-I123 PolarHBondContact N-O 2.71Å; H115-I123 PolarHBondContact O-N 2.74Å; H115-W146 AromaticContact CE1-CH2 3.7Å; H115-W146 AromaticContact NE2-CH2 3.73Å
116A98.8Very high98Very high17 Ų1753.7 Ų53.714%0.1427%0.274CS..EExtended strand (participates in β ladder)trans-127.9147.3173.900000110.3I94 Q95 K120I94-A116 WeakPolarHBondContact CA-O 3.25Å; Q95-A116 HydrophobicContact CB-CB 4.29Å; Q95-A116 PolarHBondContact N-O 3.29Å; Q95-A116 PolarHBondContact O-N 2.71Å; A116-K120 CarbonylContact C-O 3.54Å; A116-K120 WeakPolarHBondContact CA-O 3.37Å; A116-K120 VanDerWaalsContact CB-O 3.23Å; A116-K120 WeakPolarHBondContact CB-O 3.3Å
117Y98.7Very high98.1Very high11 Ų1159.4 Ų59.44%0.04330%0.297CS..EExtended strand (participates in β ladder)trans-128128.2178.5-174.5-119.4000110.2L77 L80 Y84 Q86 H92 T93 I94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.37Å; L80-Y117 HydrophobicContact CB-CD1 4.41Å; L80-Y117 HydrophobicContact CB-CD2 4.17Å; L80-Y117 HydrophobicContact CB-CE1 4.07Å; L80-Y117 HydrophobicContact CB-CE2 3.81Å; L80-Y117 HydrophobicContact CB-CG 4.45Å; L80-Y117 HydrophobicContact CD1-CD2 3.45Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.45Å; L80-Y117 HydrophobicContact CD1-CE2 3.85Å; L80-Y117 HydrophobicContact CD1-CG 3.84Å; L80-Y117 HydrophobicContact CG-CD2 4.44Å; Y84-Y117 AromaticContact CD2-CD1 3.74Å; Y84-Y117 HydrophobicContact CD2-CD1 3.74Å; Y84-Y117 AromaticContact CD2-CE1 3.53Å; Y84-Y117 HydrophobicContact CD2-CE1 3.53Å; Y84-Y117 AromaticContact CE2-CD1 3.55Å; Y84-Y117 HydrophobicContact CE2-CD1 3.55Å; Y84-Y117 AromaticContact CE2-CE1 3.86Å; Y84-Y117 HydrophobicContact CE2-CE1 3.86Å; Y84-Y117 HydrophobicContact CG-CE1 4.4Å; Q86-Y117 PolarHBondContact OE1-OH 2.87Å; H92-Y117 HydrophobicContact CB-CE2 3.87Å; H92-Y117 WeakPolarHBondContact CB-OH 3.46Å; H92-Y117 VanDerWaalsContact CG-OH 3.22Å; H92-Y117 AromaticContact ND1-CZ 3.92Å; H92-Y117 PolarHBondContact ND1-OH 3.35Å; T93-Y117 CarbonylContact O-C 3.53Å; T93-Y117 WeakPolarHBondContact O-CA 3.4Å; T93-Y117 VanDerWaalsContact O-CD2 3.25Å; T93-Y117 WeakPolarHBondContact O-CD2 3.46Å; I94-Y117 HydrophobicContact CG1-CD2 3.84Å; I94-Y117 HydrophobicContact CG1-CE2 4.26Å; Y117-G119 PolarHBondContact O-N 2.87Å; Y117-K120 PolarHBondContact N-O 2.98Å; Y117-K120 PolarHBondContact O-N 3Å
118D98.1Very high98.1Very high60 Ų6055.1 Ų55.132%0.32129%0.286SS..THydrogen-bonded Turntrans49.740.1-175.6-66.5-19.8000113.2Q86 H92 T93 K120Q86-D118 PolarHBondContact NE2-OD2 2.89Å; H92-D118 WeakPolarHBondContact CA-OD1 3.29Å; H92-D118 WeakPolarHBondContact CB-OD1 3.47Å; H92-D118 IonicContact CE1-OD2 3.71Å; H92-D118 IonicContact CG-OD1 3.84Å; H92-D118 IonicContact CG-OD2 3.03Å; H92-D118 IonicContact ND1-OD1 2.76Å; H92-D118 IonicContact ND1-OD2 3.5Å; H92-D118 PolarHBondContact ND1-OD2 2.78Å; T93-D118 PolarHBondContact N-OD1 3.42Å; T93-D118 PolarHBondContact O-N 3Å; D118-K120 VanDerWaalsContact C-N 3.3Å; D118-K120 PolarHBondContact O-N 2.82Å
119G97.3Very high98.1Very high57 Ų5752.6 Ų52.659%0.58828%0.275SS*.THydrogen-bonded Turntrans76.49.6178.300000115.2Y117Y117-G119 PolarHBondContact O-N 2.87Å
120K98.4Very high98.1Very high160 Ų16055.4 Ų55.470%0.69628%0.278SS*.EExtended strand (participates in β ladder)trans-116.3145.6176.5-61.4-179.7-176176.90110.8A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.54Å; A116-K120 WeakPolarHBondContact CA-O 3.37Å; A116-K120 VanDerWaalsContact CB-O 3.23Å; A116-K120 WeakPolarHBondContact CB-O 3.3Å; Y117-K120 PolarHBondContact N-O 2.98Å; Y117-K120 PolarHBondContact O-N 3Å; D118-K120 VanDerWaalsContact C-N 3.3Å; D118-K120 PolarHBondContact O-N 2.82Å; K120-Y122 PolarHBondContact O-N 2.81Å
121D98.6Very high98.1Very high132 Ų13252.9 Ų52.971%0.70628%0.275SS*.EExtended strand (participates in β ladder)trans-53.4135.4173.6-66.2-26.7000110.6A135D121-A135 HydrophobicContact CB-CB 4.36Å; D121-A135 WeakPolarHBondContact O-CB 3.48Å
122Y98.8Very high98.1Very high11 Ų1153 Ų534%0.04327%0.274CS..EExtended strand (participates in β ladder)trans-114.3-63.4179.8178.8-112.1000110.5L80 Y84 H115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD2 4.36Å; L80-Y122 HydrophobicContact CD2-CE1 3.78Å; L80-Y122 HydrophobicContact CD2-CE2 3.61Å; L80-Y122 VanDerWaalsContact CD2-OH 3.28Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.39Å; Y84-Y122 HydrophobicContact CE2-CD2 4.41Å; Y84-Y122 HydrophobicContact CE2-CE2 4.14Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.39Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.5Å; H115-Y122 HydrophobicContact CB-CD1 4.32Å; H115-Y122 WeakPolarHBondContact O-CA 3.33Å; H115-Y122 WeakPolarHBondContact O-CB 3.4Å; H115-Y122 PolarHBondContact O-N 3.43Å; K120-Y122 PolarHBondContact O-N 2.81Å; Y122-A135 WeakPolarHBondContact O-CB 3.31Å; Y122-A135 PolarHBondContact O-N 2.83Å; Y122-A138 PolarHBondContact OH-O 2.93Å; Y122-A139 HydrophobicContact CD2-CB 3.79Å; Y122-A139 VanDerWaalsContact CE2-CA 3.45Å; Y122-A139 HydrophobicContact CE2-CB 3.62Å; Y122-A139 HydrophobicContact CG-CB 4.34Å; Y122-A139 WeakPolarHBondContact O-CB 3.46Å; Y122-T142 HydrophobicContact CE1-CG2 4.21Å; Y122-T142 WeakPolarHBondContact OH-CB 3.19Å; Y122-T142 PolarHBondContact OH-OG1 2.89Å
123I98.7Very high98.1Very high3 Ų355.3 Ų55.32%0.01529%0.291CS..EExtended strand (participates in β ladder)trans-149.3140.3177.5-164.5171.6000110.9H115 W132 T133 T142 Q143 W146H115-I123 HydrophobicContact CB-CG2 3.93Å; H115-I123 PolarHBondContact N-O 2.71Å; H115-I123 PolarHBondContact O-N 2.74Å; I123-W132 HydrophobicContact CD1-CB 4.17Å; I123-W132 HydrophobicContact CD1-CD2 4.41Å; I123-W132 HydrophobicContact CD1-CE3 4.2Å; I123-W132 HydrophobicContact CD1-CG 4.42Å; I123-W132 HydrophobicContact CG1-CB 4.29Å; I123-W132 HydrophobicContact CG1-CE3 4.03Å; I123-T133 WeakPolarHBondContact CA-O 3.37Å; I123-T142 HydrophobicContact CD1-CG2 4.33Å; I123-Q143 HydrophobicContact CD1-CB 3.86Å; I123-W146 HydrophobicContact CD1-CE3 4.2Å; I123-W146 HydrophobicContact CD1-CZ3 4.41Å; I123-W146 HydrophobicContact CG2-CH2 4.04Å; I123-W146 HydrophobicContact CG2-CZ3 3.8Å
124A98.7Very high98.2Very high28 Ų2855.5 Ų55.523%0.23130%0.296CS..EExtended strand (participates in β ladder)trans-132.4139.2-179.900000111.7Q114 W132 T133Q114-A124 HydrophobicContact CG-CB 4Å; A124-W132 CarbonylContact O-C 3.54Å; A124-W132 WeakPolarHBondContact O-CA 3.01Å; A124-T133 PolarHBondContact N-O 2.85Å; A124-T133 PolarHBondContact O-N 2.92Å
125L98.6Very high98.2Very high13 Ų1354.8 Ų54.87%0.06830%0.303CS..EExtended strand (participates in β ladder)trans-72.9129.6169-175.667.9000108.9Q113 L129 W132 A152 L155 L159Q113-L125 HydrophobicContact CB-CB 3.85Å; Q113-L125 HydrophobicContact CB-CD2 4.15Å; Q113-L125 PolarHBondContact O-N 2.98Å; L125-L129 HydrophobicContact CD2-CB 4.45Å; L125-L129 HydrophobicContact CD2-CD2 3.7Å; L125-L129 HydrophobicContact CG-CD2 4.28Å; L125-W132 HydrophobicContact CB-CE3 4.02Å; L125-W132 HydrophobicContact CB-CH2 4.13Å; L125-W132 HydrophobicContact CB-CZ3 3.67Å; L125-W132 HydrophobicContact CD1-CD2 4.16Å; L125-W132 HydrophobicContact CD1-CE3 4.26Å; L125-W132 HydrophobicContact CD1-CH2 4.03Å; L125-W132 HydrophobicContact CD1-CZ2 3.9Å; L125-W132 HydrophobicContact CD1-CZ3 4.19Å; L125-A152 HydrophobicContact CD1-CB 4.03Å; L125-L155 HydrophobicContact CD2-CB 4.43Å; L125-L159 HydrophobicContact CD2-CD1 3.92Å
126N98.4Very high98.1Very high44 Ų4456.6 Ų56.624%0.23531%0.313CS..  trans-73.5163.7179.5-67.6-28.8000111.5D128 L129 S131 T133N126-D128 PolarHBondContact O-N 3.18Å; N126-D128 VanDerWaalsContact O-N 3.09Å; N126-L129 PolarHBondContact O-N 2.88Å; N126-S131 WeakPolarHBondContact CB-O 3.41Å; N126-S131 WeakPolarHBondContact CB-OG 3.36Å; N126-S131 PolarHBondContact N-O 3.22Å; N126-S131 PolarHBondContact ND2-OG 2.9Å; N126-T133 PolarHBondContact ND2-OG1 3.3Å; N126-T133 PolarHBondContact OD1-OG1 2.82Å
127E97Very high98.1Very high136 Ų13662.1 Ų62.164%0.63634%0.337SS*.THydrogen-bonded Turntrans-60.5-21.6-179.1-64.3-176.5-174.700113.5R110 L129R110-E127 IonicContact CZ-OE1 3.96Å; R110-E127 VanDerWaalsContact NH1-CD 3.28Å; R110-E127 IonicContact NH1-OE1 2.72Å; R110-E127 PolarHBondContact NH1-OE1 2.88Å; R110-E127 IonicContact NH1-OE2 3.91Å; R110-E127 IonicContact NH2-OE1 3.35Å; R110-E127 PolarHBondContact NH2-OE1 2.72Å; E127-L129 PolarHBondContact O-N 3.01Å
128D97.1Very high98Very high78 Ų7862.1 Ų62.142%0.41734%0.34SS..THydrogen-bonded Turntrans-72.6-9174.6704.9000113.9N126 R130 S131N126-D128 PolarHBondContact O-N 3.18Å; N126-D128 VanDerWaalsContact O-N 3.09Å; D128-R130 WeakPolarHBondContact O-CG 3.29Å; D128-R130 PolarHBondContact O-N 3.33Å; D128-R130 PolarHBondContact OD1-N 2.87Å; D128-S131 VanDerWaalsContact CG-OG 3.24Å; D128-S131 PolarHBondContact OD1-N 2.95Å; D128-S131 PolarHBondContact OD1-OG 3.15Å; D128-S131 VanDerWaalsContact OD1-OG 3.1Å; D128-S131 WeakPolarHBondContact OD2-CB 3.45Å; D128-S131 PolarHBondContact OD2-OG 3.44Å
129L97.7Very high98Very high5 Ų559.2 Ų59.23%0.02632%0.324CS..SBendtrans53.927.5-175.5-52177.5000113.9F108 L125 N126 E127 R156 L159 E160F108-L129 HydrophobicContact CE1-CD1 4Å; F108-L129 HydrophobicContact CZ-CD1 3.72Å; L125-L129 HydrophobicContact CD2-CB 4.45Å; L125-L129 HydrophobicContact CD2-CD2 3.7Å; L125-L129 HydrophobicContact CG-CD2 4.28Å; N126-L129 PolarHBondContact O-N 2.88Å; E127-L129 PolarHBondContact O-N 3.01Å; L129-R156 HydrophobicContact CB-CB 4.1Å; L129-R156 HydrophobicContact CB-CG 3.89Å; L129-R156 HydrophobicContact CD1-CG 4.05Å; L129-L159 HydrophobicContact CD2-CD1 4.12Å; L129-E160 HydrophobicContact CD1-CG 3.98Å
130R96.8Very high98.1Very high167 Ų16759.4 Ų59.463%0.6331%0.31SS*.SBendtrans-133-33.3-174.7-70.7169.2-174.8-102.49.3112.4D128D128-R130 WeakPolarHBondContact O-CG 3.29Å; D128-R130 PolarHBondContact O-N 3.33Å; D128-R130 PolarHBondContact OD1-N 2.87Å
131S97.4Very high98.1Very high38 Ų3854.6 Ų54.627%0.26629%0.291SS..  trans-113.9162.6-177.563.80000112N126 D128N126-S131 WeakPolarHBondContact CB-O 3.41Å; N126-S131 WeakPolarHBondContact CB-OG 3.36Å; N126-S131 PolarHBondContact N-O 3.22Å; N126-S131 PolarHBondContact ND2-OG 2.9Å; D128-S131 VanDerWaalsContact CG-OG 3.24Å; D128-S131 PolarHBondContact OD1-N 2.95Å; D128-S131 PolarHBondContact OD1-OG 3.15Å; D128-S131 VanDerWaalsContact OD1-OG 3.1Å; D128-S131 WeakPolarHBondContact OD2-CB 3.45Å; D128-S131 PolarHBondContact OD2-OG 3.44Å
132W98.5Very high98.1Very high9 Ų949 Ų493%0.03426%0.262CS..EExtended strand (participates in β ladder)trans-120.4145.9-177.3-61.392.4000110.9Q113 I123 A124 L125 Q143 W146 W151 A152 L155Q113-W132 HydrophobicContact CG-CH2 4.09Å; Q113-W132 HydrophobicContact CG-CZ3 4.12Å; I123-W132 HydrophobicContact CD1-CB 4.17Å; I123-W132 HydrophobicContact CD1-CD2 4.41Å; I123-W132 HydrophobicContact CD1-CE3 4.2Å; I123-W132 HydrophobicContact CD1-CG 4.42Å; I123-W132 HydrophobicContact CG1-CB 4.29Å; I123-W132 HydrophobicContact CG1-CE3 4.03Å; A124-W132 CarbonylContact O-C 3.54Å; A124-W132 WeakPolarHBondContact O-CA 3.01Å; L125-W132 HydrophobicContact CB-CE3 4.02Å; L125-W132 HydrophobicContact CB-CH2 4.13Å; L125-W132 HydrophobicContact CB-CZ3 3.67Å; L125-W132 HydrophobicContact CD1-CD2 4.16Å; L125-W132 HydrophobicContact CD1-CE3 4.26Å; L125-W132 HydrophobicContact CD1-CH2 4.03Å; L125-W132 HydrophobicContact CD1-CZ2 3.9Å; L125-W132 HydrophobicContact CD1-CZ3 4.19Å; W132-Q143 HydrophobicContact CB-CG 4.1Å; W132-Q143 PolarHBondContact O-NE2 2.85Å; W132-W146 AromaticContact CD2-CE3 4Å; W132-W146 HydrophobicContact CD2-CE3 4Å; W132-W146 AromaticContact CE2-CE3 3.82Å; W132-W146 AromaticContact CE3-CE3 3.86Å; W132-W146 HydrophobicContact CE3-CE3 3.86Å; W132-W146 AromaticContact CE3-CZ3 3.93Å; W132-W146 HydrophobicContact CE3-CZ3 3.93Å; W132-W146 AromaticContact CH2-CE3 3.33Å; W132-W146 HydrophobicContact CH2-CE3 3.33Å; W132-W146 AromaticContact CH2-CZ3 3.36Å; W132-W146 HydrophobicContact CH2-CZ3 3.36Å; W132-W146 HydrophobicContact CZ2-CD2 4.43Å; W132-W146 AromaticContact CZ2-CE3 3.5Å; W132-W146 HydrophobicContact CZ2-CE3 3.5Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.5Å; W132-W146 HydrophobicContact CZ2-CZ3 4.05Å; W132-W146 AromaticContact CZ3-CE3 3.55Å; W132-W146 HydrophobicContact CZ3-CE3 3.55Å; W132-W146 AromaticContact CZ3-CZ3 3.32Å; W132-W146 HydrophobicContact CZ3-CZ3 3.32Å; W132-W151 AromaticContact CZ2-CD1 3.97Å; W132-A152 HydrophobicContact CZ2-CB 4.27Å; W132-L155 HydrophobicContact CH2-CD1 3.38Å; W132-L155 HydrophobicContact CZ2-CD1 3.76Å
133T98.6Very high98Very high79 Ų7950.4 Ų50.449%0.48527%0.269SS..EExtended strand (participates in β ladder)trans-108.1115.6167-66.10000108.8I123 A124 N126I123-T133 WeakPolarHBondContact CA-O 3.37Å; A124-T133 PolarHBondContact N-O 2.85Å; A124-T133 PolarHBondContact O-N 2.92Å; N126-T133 PolarHBondContact ND2-OG1 3.3Å; N126-T133 PolarHBondContact OD1-OG1 2.82Å
134A98.6Very high98Very high23 Ų2357.5 Ų57.519%0.1930%0.296CS..EExtended strand (participates in β ladder)trans-93.7133.5174.800000110.3A139 Q140 Q143A134-A139 HydrophobicContact CB-CB 3.71Å; A134-Q140 HydrophobicContact CB-CG 4.01Å; A134-Q143 HydrophobicContact CB-CB 4.41Å
135A98.4Very high98Very high60 Ų6061.8 Ų61.850%0.49631%0.309SS..SBendtrans-75.9-30.1-176.700000113.5D121 Y122D121-A135 HydrophobicContact CB-CB 4.36Å; D121-A135 WeakPolarHBondContact O-CB 3.48Å; Y122-A135 WeakPolarHBondContact O-CB 3.31Å; Y122-A135 PolarHBondContact O-N 2.83Å
136D98Very high98Very high58 Ų5863.6 Ų63.631%0.3132%0.315SS..SBendtrans-151.3-175.5-178.567.429.6000113.4Y84 A138 A139 Q140Y84-D136 WeakPolarHBondContact CE1-OD2 3.47Å; Y84-D136 VanDerWaalsContact OH-CG 3.23Å; Y84-D136 PolarHBondContact OH-OD1 2.95Å; Y84-D136 VanDerWaalsContact OH-OD1 3.12Å; Y84-D136 PolarHBondContact OH-OD2 2.99Å; D136-A138 VanDerWaalsContact C-N 3.3Å; D136-A138 PolarHBondContact O-N 3.32Å; D136-A138 WeakPolarHBondContact OD1-CA 3.47Å; D136-A138 WeakPolarHBondContact OD1-CB 3.26Å; D136-A138 PolarHBondContact OD1-N 3.44Å; D136-A139 PolarHBondContact O-N 2.91Å; D136-A139 PolarHBondContact OD1-N 2.93Å; D136-Q140 WeakPolarHBondContact O-CG 3.23Å; D136-Q140 PolarHBondContact O-N 3.43Å
137M97.6Very high97.9Very high132 Ų13265.7 Ų65.765%0.6532%0.323SS*.Hα-helixtrans-64.2-30.1-179.3-66.4-57.8-59.300113.8
138A97.6Very high98Very high11 Ų1163.3 Ų63.39%0.09133%0.327CS..Hα-helixtrans-74.4-39.8176.500000110.5Y84 Y122 D136 Q140 I141Y84-A138 HydrophobicContact CD1-CB 4.16Å; Y84-A138 HydrophobicContact CD2-CB 4.47Å; Y84-A138 HydrophobicContact CE1-CB 3.59Å; Y84-A138 HydrophobicContact CE2-CB 3.94Å; Y84-A138 VanDerWaalsContact CZ-CB 3.47Å; Y122-A138 PolarHBondContact OH-O 2.93Å; D136-A138 VanDerWaalsContact C-N 3.3Å; D136-A138 PolarHBondContact O-N 3.32Å; D136-A138 WeakPolarHBondContact OD1-CA 3.47Å; D136-A138 WeakPolarHBondContact OD1-CB 3.26Å; D136-A138 PolarHBondContact OD1-N 3.44Å; A138-Q140 VanDerWaalsContact C-N 3.29Å; A138-Q140 PolarHBondContact O-N 3.29Å; A138-I141 WeakPolarHBondContact O-CB 3.48Å; A138-I141 PolarHBondContact O-N 3.38Å; A138-I141 VanDerWaalsContact O-N 3.14Å
139A98.3Very high98Very high0 Ų062.5 Ų62.50%033%0.331CS..Hα-helixtrans-62.3-33.9173.100000113Y122 A134 D136 I141 T142 Q143Y122-A139 HydrophobicContact CD2-CB 3.79Å; Y122-A139 VanDerWaalsContact CE2-CA 3.45Å; Y122-A139 HydrophobicContact CE2-CB 3.62Å; Y122-A139 HydrophobicContact CG-CB 4.34Å; Y122-A139 WeakPolarHBondContact O-CB 3.46Å; A134-A139 HydrophobicContact CB-CB 3.71Å; D136-A139 PolarHBondContact O-N 2.91Å; D136-A139 PolarHBondContact OD1-N 2.93Å; A139-I141 PolarHBondContact O-N 3.06Å; A139-T142 PolarHBondContact O-N 2.91Å; A139-T142 VanDerWaalsContact O-N 3.07Å; A139-Q143 PolarHBondContact O-N 3.32Å
140Q98.5Very high98Very high60 Ų6069.9 Ų69.928%0.2836%0.359SS..Hα-helixtrans-60.4-27.8174.3-73.217717.800113.1A134 D136 A138 R144A134-Q140 HydrophobicContact CB-CG 4.01Å; D136-Q140 WeakPolarHBondContact O-CG 3.23Å; D136-Q140 PolarHBondContact O-N 3.43Å; A138-Q140 VanDerWaalsContact C-N 3.29Å; A138-Q140 PolarHBondContact O-N 3.29Å; Q140-R144 VanDerWaalsContact O-CG 3.31Å; Q140-R144 WeakPolarHBondContact O-CG 3.19Å; Q140-R144 PolarHBondContact O-N 3.21Å; Q140-R144 VanDerWaalsContact O-N 3.12Å
141I98.1Very high97.9Very high59 Ų5966.3 Ų66.330%0.30335%0.345SS..Hα-helixtrans-65.2-46.1175-57.2172.1000109.5Y83 A138 A139 K145Y83-I141 HydrophobicContact CD1-CD1 4.24Å; Y83-I141 HydrophobicContact CD2-CD1 4.46Å; Y83-I141 HydrophobicContact CE1-CD1 4.42Å; Y83-I141 HydrophobicContact CE1-CG2 4.15Å; Y83-I141 HydrophobicContact CE2-CB 4.15Å; Y83-I141 HydrophobicContact CE2-CG2 4.06Å; Y83-I141 HydrophobicContact CG-CD1 4.27Å; A138-I141 WeakPolarHBondContact O-CB 3.48Å; A138-I141 PolarHBondContact O-N 3.38Å; A138-I141 VanDerWaalsContact O-N 3.14Å; A139-I141 PolarHBondContact O-N 3.06Å; I141-K145 WeakPolarHBondContact O-CG 3.48Å; I141-K145 PolarHBondContact O-N 2.85Å
142T98.1Very high97.9Very high16 Ų1665 Ų6510%0.09834%0.336CS..Hα-helixtrans-66.5-43.1177.2-65.10000111.5Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.21Å; Y122-T142 WeakPolarHBondContact OH-CB 3.19Å; Y122-T142 PolarHBondContact OH-OG1 2.89Å; I123-T142 HydrophobicContact CD1-CG2 4.33Å; A139-T142 PolarHBondContact O-N 2.91Å; A139-T142 VanDerWaalsContact O-N 3.07Å; T142-R144 PolarHBondContact O-N 2.92Å; T142-K145 WeakPolarHBondContact O-CB 3.35Å; T142-K145 PolarHBondContact O-N 3.21Å; T142-K145 VanDerWaalsContact O-N 3.12Å; T142-W146 HydrophobicContact CG2-CD2 3.87Å; T142-W146 HydrophobicContact CG2-CE3 4.4Å; T142-W146 HydrophobicContact CG2-CG 4.21Å; T142-W146 HydrophobicContact CG2-CH2 4.43Å; T142-W146 HydrophobicContact CG2-CZ2 3.9Å; T142-W146 PolarHBondContact O-N 3.37Å
143Q98.5Very high97.8Very high40 Ų4069.9 Ų69.919%0.18736%0.36CS..Hα-helixtrans-51.2-53.3174.7176.1173.915.500111.7I123 W132 A134 A139 K145 W146 E147I123-Q143 HydrophobicContact CD1-CB 3.86Å; W132-Q143 HydrophobicContact CB-CG 4.1Å; W132-Q143 PolarHBondContact O-NE2 2.85Å; A134-Q143 HydrophobicContact CB-CB 4.41Å; A139-Q143 PolarHBondContact O-N 3.32Å; Q143-K145 VanDerWaalsContact C-N 3.29Å; Q143-K145 PolarHBondContact O-N 3.44Å; Q143-W146 PolarHBondContact O-N 3.14Å; Q143-E147 HydrophobicContact CG-CG 4.29Å; Q143-E147 VanDerWaalsContact CG-OE1 3.25Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.05Å; Q143-E147 PolarHBondContact NE2-OE1 3.17Å; Q143-E147 WeakPolarHBondContact O-CB 3.02Å; Q143-E147 WeakPolarHBondContact O-CG 3.41Å; Q143-E147 PolarHBondContact O-N 3.04Å
144R98.5Very high97.7Very high152 Ų15271.6 Ų71.657%0.57436%0.362SS*.Hα-helixtrans-60.2-38.6-179.7-68.6170.6-165.21558.9112.3Q140 T142 A148Q140-R144 VanDerWaalsContact O-CG 3.31Å; Q140-R144 WeakPolarHBondContact O-CG 3.19Å; Q140-R144 PolarHBondContact O-N 3.21Å; Q140-R144 VanDerWaalsContact O-N 3.12Å; T142-R144 PolarHBondContact O-N 2.92Å; R144-A148 VanDerWaalsContact O-CB 3.29Å; R144-A148 WeakPolarHBondContact O-CB 3.4Å; R144-A148 PolarHBondContact O-N 3.47Å
145K97.8Very high97.6Very high118 Ų11871.5 Ų71.551%0.51336%0.358SS..Hα-helixtrans-65.2-46176.5-71.7179.6177-1760111.3Y83 I141 T142 Q143 A148 A149Y83-K145 PolarHBondContact OH-NZ 3.37Å; I141-K145 WeakPolarHBondContact O-CG 3.48Å; I141-K145 PolarHBondContact O-N 2.85Å; T142-K145 WeakPolarHBondContact O-CB 3.35Å; T142-K145 PolarHBondContact O-N 3.21Å; T142-K145 VanDerWaalsContact O-N 3.12Å; Q143-K145 VanDerWaalsContact C-N 3.29Å; Q143-K145 PolarHBondContact O-N 3.44Å; K145-A148 PolarHBondContact O-N 3.02Å; K145-A149 WeakPolarHBondContact O-CB 3.38Å; K145-A149 PolarHBondContact O-N 3.37Å
146W97.9Very high97.6Very high50 Ų5072 Ų7219%0.18935%0.347CS..Hα-helixtrans-69.8-36.8-178.8-73.98.7000112.6H115 I123 W132 T142 Q143 A149 R150 W151H115-W146 AromaticContact CE1-CH2 3.7Å; H115-W146 AromaticContact NE2-CH2 3.73Å; I123-W146 HydrophobicContact CD1-CE3 4.2Å; I123-W146 HydrophobicContact CD1-CZ3 4.41Å; I123-W146 HydrophobicContact CG2-CH2 4.04Å; I123-W146 HydrophobicContact CG2-CZ3 3.8Å; W132-W146 AromaticContact CD2-CE3 4Å; W132-W146 HydrophobicContact CD2-CE3 4Å; W132-W146 AromaticContact CE2-CE3 3.82Å; W132-W146 AromaticContact CE3-CE3 3.86Å; W132-W146 HydrophobicContact CE3-CE3 3.86Å; W132-W146 AromaticContact CE3-CZ3 3.93Å; W132-W146 HydrophobicContact CE3-CZ3 3.93Å; W132-W146 AromaticContact CH2-CE3 3.33Å; W132-W146 HydrophobicContact CH2-CE3 3.33Å; W132-W146 AromaticContact CH2-CZ3 3.36Å; W132-W146 HydrophobicContact CH2-CZ3 3.36Å; W132-W146 HydrophobicContact CZ2-CD2 4.43Å; W132-W146 AromaticContact CZ2-CE3 3.5Å; W132-W146 HydrophobicContact CZ2-CE3 3.5Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.5Å; W132-W146 HydrophobicContact CZ2-CZ3 4.05Å; W132-W146 AromaticContact CZ3-CE3 3.55Å; W132-W146 HydrophobicContact CZ3-CE3 3.55Å; W132-W146 AromaticContact CZ3-CZ3 3.32Å; W132-W146 HydrophobicContact CZ3-CZ3 3.32Å; T142-W146 HydrophobicContact CG2-CD2 3.87Å; T142-W146 HydrophobicContact CG2-CE3 4.4Å; T142-W146 HydrophobicContact CG2-CG 4.21Å; T142-W146 HydrophobicContact CG2-CH2 4.43Å; T142-W146 HydrophobicContact CG2-CZ2 3.9Å; T142-W146 PolarHBondContact O-N 3.37Å; Q143-W146 PolarHBondContact O-N 3.14Å; W146-A149 CarbonylContact O-C 3.57Å; W146-A149 PolarHBondContact O-N 3.05Å; W146-R150 PolarHBondContact O-N 3.48Å; W146-W151 HydrophobicContact CB-CB 4.01Å; W146-W151 HydrophobicContact CG-CB 4.27Å; W146-W151 PolarHBondContact O-N 3Å
147E98.1Very high97.6Very high88 Ų8872.4 Ų72.441%0.41136%0.359SS..Hα-helixtrans-64.7-46.6172.7-73.5172174.800111.4Q143 A149 R150Q143-E147 HydrophobicContact CG-CG 4.29Å; Q143-E147 VanDerWaalsContact CG-OE1 3.25Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.05Å; Q143-E147 PolarHBondContact NE2-OE1 3.17Å; Q143-E147 WeakPolarHBondContact O-CB 3.02Å; Q143-E147 WeakPolarHBondContact O-CG 3.41Å; Q143-E147 PolarHBondContact O-N 3.04Å; E147-A149 VanDerWaalsContact C-N 3.26Å; E147-A149 PolarHBondContact O-N 2.88Å; E147-R150 PolarHBondContact O-N 3.23Å
148A98Very high97.6Very high87 Ų8769.1 Ų69.172%0.71934%0.34SS*.Hα-helixtrans-61.2-35.8175.800000112.4R144 K145 R150R144-A148 VanDerWaalsContact O-CB 3.29Å; R144-A148 WeakPolarHBondContact O-CB 3.4Å; R144-A148 PolarHBondContact O-N 3.47Å; K145-A148 PolarHBondContact O-N 3.02Å; A148-R150 VanDerWaalsContact C-N 3.3Å
149A97.3Very high97.6Very high61 Ų6168.7 Ų68.750%0.50434%0.336SS..THydrogen-bonded Turntrans-82.8-2.117600000114K145 W146 E147 W151K145-A149 WeakPolarHBondContact O-CB 3.38Å; K145-A149 PolarHBondContact O-N 3.37Å; W146-A149 CarbonylContact O-C 3.57Å; W146-A149 PolarHBondContact O-N 3.05Å; E147-A149 VanDerWaalsContact C-N 3.26Å; E147-A149 PolarHBondContact O-N 2.88Å; A149-W151 PolarHBondContact O-N 3.38Å
150R96.8Very high97.6Very high159 Ų15972.4 Ų72.460%0.635%0.353SS*.THydrogen-bonded Turntrans52.337.2-175.3-61.2177.3173.6-120.84.9113.6W146 E147 A148 A152 E153W146-R150 PolarHBondContact O-N 3.48Å; E147-R150 PolarHBondContact O-N 3.23Å; A148-R150 VanDerWaalsContact C-N 3.3Å; R150-A152 PolarHBondContact O-N 3.47Å; R150-E153 HydrophobicContact CB-CG 4.28Å; R150-E153 WeakPolarHBondContact CD-OE1 3.38Å; R150-E153 IonicContact CZ-OE1 3.09Å; R150-E153 IonicContact NH1-OE1 3.21Å; R150-E153 PolarHBondContact NH1-OE1 3.31Å; R150-E153 IonicContact NH1-OE2 2.87Å; R150-E153 WeakPolarHBondContact O-CB 3.27Å; R150-E153 PolarHBondContact O-N 3.47Å
151W96.2Very high97.6Very high93 Ų9370.7 Ų70.735%0.35235%0.351SS..Hα-helixtrans-59.6-33.2-175.2-166.5-119.3000113.2W132 W146 A149 E153 Q154 L155W132-W151 AromaticContact CZ2-CD1 3.97Å; W146-W151 HydrophobicContact CB-CB 4.01Å; W146-W151 HydrophobicContact CG-CB 4.27Å; W146-W151 PolarHBondContact O-N 3Å; A149-W151 PolarHBondContact O-N 3.38Å; W151-E153 VanDerWaalsContact C-N 3.27Å; W151-E153 PolarHBondContact O-N 3.07Å; W151-Q154 PolarHBondContact O-N 3.43Å; W151-L155 HydrophobicContact CG-CD1 4.4Å; W151-L155 PolarHBondContact O-N 2.92Å; W151-L155 VanDerWaalsContact O-N 3.13Å
152A97.5Very high97.5Very high9 Ų970.6 Ų70.67%0.07435%0.354CS..Hα-helixtrans-59.5-34.5176.700000112.9L125 W132 R150 Q154 L155 R156L125-A152 HydrophobicContact CD1-CB 4.03Å; W132-A152 HydrophobicContact CZ2-CB 4.27Å; R150-A152 PolarHBondContact O-N 3.47Å; A152-Q154 VanDerWaalsContact C-N 3.35Å; A152-Q154 PolarHBondContact O-N 3.41Å; A152-L155 PolarHBondContact O-N 3.28Å; A152-R156 WeakPolarHBondContact O-CB 3.46Å; A152-R156 PolarHBondContact O-N 3.43Å
153E96.6Very high97.5Very high112 Ų11269.8 Ų69.852%0.52335%0.349SS..Hα-helixtrans-65.2-39.7179-63.8178.4-169.800111.4R150 W151 A157R150-E153 HydrophobicContact CB-CG 4.28Å; R150-E153 WeakPolarHBondContact CD-OE1 3.38Å; R150-E153 IonicContact CZ-OE1 3.09Å; R150-E153 IonicContact NH1-OE1 3.21Å; R150-E153 PolarHBondContact NH1-OE1 3.31Å; R150-E153 IonicContact NH1-OE2 2.87Å; R150-E153 WeakPolarHBondContact O-CB 3.27Å; R150-E153 PolarHBondContact O-N 3.47Å; W151-E153 VanDerWaalsContact C-N 3.27Å; W151-E153 PolarHBondContact O-N 3.07Å; E153-A157 PolarHBondContact O-N 3.13Å; E153-A157 VanDerWaalsContact O-N 3.13Å
154Q94.9Very high97.5Very high115 Ų11568.1 Ų68.154%0.53734%0.341SS..Hα-helixtrans-69.4-45.5178-61.5-174.111.400111.6W151 A152 R156 A157 Y158W151-Q154 PolarHBondContact O-N 3.43Å; A152-Q154 VanDerWaalsContact C-N 3.35Å; A152-Q154 PolarHBondContact O-N 3.41Å; Q154-R156 VanDerWaalsContact C-N 3.32Å; Q154-R156 PolarHBondContact O-N 3.07Å; Q154-A157 PolarHBondContact O-N 2.83Å; Q154-Y158 PolarHBondContact O-N 3.3Å; Q154-Y158 VanDerWaalsContact O-N 3.13Å
155L96.8Very high97.5Very high21 Ų2167 Ų6711%0.1134%0.343CS..Hα-helixtrans-61.6-42.8176.4-72.1171.4000111.4Q113 L125 W132 W151 A152 A157 Y158 L159Q113-L155 HydrophobicContact CB-CD1 4.29Å; Q113-L155 HydrophobicContact CG-CD1 3.82Å; Q113-L155 HydrophobicContact CG-CD2 4.5Å; L125-L155 HydrophobicContact CD2-CB 4.43Å; W132-L155 HydrophobicContact CH2-CD1 3.38Å; W132-L155 HydrophobicContact CZ2-CD1 3.76Å; W151-L155 HydrophobicContact CG-CD1 4.4Å; W151-L155 PolarHBondContact O-N 2.92Å; W151-L155 VanDerWaalsContact O-N 3.13Å; A152-L155 PolarHBondContact O-N 3.28Å; L155-A157 VanDerWaalsContact C-N 3.33Å; L155-A157 PolarHBondContact O-N 3.05Å; L155-Y158 PolarHBondContact O-N 3.13Å; L155-L159 WeakPolarHBondContact O-CB 3.37Å; L155-L159 WeakPolarHBondContact O-CG 3.28Å; L155-L159 PolarHBondContact O-N 3.46Å
156R97.9Very high97.5Very high71 Ų7164.7 Ų64.727%0.26833%0.331SS..Hα-helixtrans-58.9-44.6176.7-176.3172.4-177.5-127.6-18.4112.1L129 A152 Q154 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.1Å; L129-R156 HydrophobicContact CB-CG 3.89Å; L129-R156 HydrophobicContact CD1-CG 4.05Å; A152-R156 WeakPolarHBondContact O-CB 3.46Å; A152-R156 PolarHBondContact O-N 3.43Å; Q154-R156 VanDerWaalsContact C-N 3.32Å; Q154-R156 PolarHBondContact O-N 3.07Å; R156-Y158 VanDerWaalsContact C-N 3.32Å; R156-Y158 PolarHBondContact O-N 3.29Å; R156-L159 PolarHBondContact O-N 2.87Å; R156-E160 HydrophobicContact CG-CG 4.13Å; R156-E160 IonicContact CZ-OE1 3.83Å; R156-E160 VanDerWaalsContact CZ-OE1 3.26Å; R156-E160 IonicContact CZ-OE2 3.29Å; R156-E160 VanDerWaalsContact NE-CD 3.33Å; R156-E160 IonicContact NE-OE1 2.69Å; R156-E160 PolarHBondContact NE-OE1 3.16Å; R156-E160 IonicContact NE-OE2 2.68Å; R156-E160 PolarHBondContact NE-OE2 3.13Å; R156-E160 IonicContact NH2-OE1 3.86Å; R156-E160 PolarHBondContact NH2-OE1 3.15Å; R156-E160 IonicContact NH2-OE2 3.13Å; R156-E160 PolarHBondContact NH2-OE2 3.27Å; R156-E160 WeakPolarHBondContact O-CB 3.08Å; R156-E160 PolarHBondContact O-N 3.47Å
157A97.8Very high97.5Very high66 Ų6662.3 Ų62.355%0.54532%0.322SS..Hα-helixtrans-60.9-40.9177.100000112.3E153 Q154 L155 G161E153-A157 PolarHBondContact O-N 3.13Å; E153-A157 VanDerWaalsContact O-N 3.13Å; Q154-A157 PolarHBondContact O-N 2.83Å; L155-A157 VanDerWaalsContact C-N 3.33Å; L155-A157 PolarHBondContact O-N 3.05Å; A157-G161 PolarHBondContact O-N 3.47Å; A157-G161 VanDerWaalsContact O-N 3.17Å
158Y97.6Very high97.5Very high64 Ų6463.9 Ų63.925%0.25132%0.324SS..Iπ-helixtrans-66-48.4174.2170.6-97.2000112.2Y98 Q154 L155 R156 G161 T162 C163Y98-Y158 HydrophobicContact CD2-CE1 4.05Å; Y98-Y158 HydrophobicContact CE2-CE1 4.01Å; Q154-Y158 PolarHBondContact O-N 3.3Å; Q154-Y158 VanDerWaalsContact O-N 3.13Å; L155-Y158 PolarHBondContact O-N 3.13Å; R156-Y158 VanDerWaalsContact C-N 3.32Å; R156-Y158 PolarHBondContact O-N 3.29Å; Y158-G161 CarbonylContact O-C 3.44Å; Y158-G161 PolarHBondContact O-N 3.21Å; Y158-T162 HydrophobicContact CD2-CG2 4.05Å; Y158-T162 HydrophobicContact CE2-CG2 3.99Å; Y158-T162 PolarHBondContact O-N 3.33Å; Y158-T162 VanDerWaalsContact O-N 3.11Å; Y158-C163 HydrophobicContact CD1-CB 4.36Å; Y158-C163 HydrophobicContact CE1-CB 3.94Å; Y158-C163 WeakPolarHBondContact O-CB 3.23Å; Y158-C163 PolarHBondContact O-N 3.42Å
159L98.4Very high97.5Very high2 Ų265.2 Ų65.21%0.0131%0.31CS..Iπ-helixtrans-68.4-42.8-174.1-69.7172.5000112.7G99 F108 L125 L129 L155 R156G99-L159 VanDerWaalsContact O-CD2 3.23Å; G99-L159 WeakPolarHBondContact O-CD2 3.22Å; F108-L159 WeakPolarHBondContact CD2-O 3.28Å; F108-L159 WeakPolarHBondContact CE2-O 3.35Å; L125-L159 HydrophobicContact CD2-CD1 3.92Å; L129-L159 HydrophobicContact CD2-CD1 4.12Å; L155-L159 WeakPolarHBondContact O-CB 3.37Å; L155-L159 WeakPolarHBondContact O-CG 3.28Å; L155-L159 PolarHBondContact O-N 3.46Å; R156-L159 PolarHBondContact O-N 2.87Å
160E98.2Very high97.5Very high77 Ų7762.3 Ų62.336%0.3629%0.286SS..Iπ-helixtrans-78.4-23.2178.6-68-177172.400112.6F108 L129 R156F108-E160 HydrophobicContact CD1-CG 4.1Å; F108-E160 HydrophobicContact CE1-CG 3.87Å; F108-E160 HydrophobicContact CE2-CG 4.39Å; F108-E160 HydrophobicContact CG-CG 4.45Å; F108-E160 HydrophobicContact CZ-CG 4.02Å; L129-E160 HydrophobicContact CD1-CG 3.98Å; R156-E160 HydrophobicContact CG-CG 4.13Å; R156-E160 IonicContact CZ-OE1 3.83Å; R156-E160 VanDerWaalsContact CZ-OE1 3.26Å; R156-E160 IonicContact CZ-OE2 3.29Å; R156-E160 VanDerWaalsContact NE-CD 3.33Å; R156-E160 IonicContact NE-OE1 2.69Å; R156-E160 PolarHBondContact NE-OE1 3.16Å; R156-E160 IonicContact NE-OE2 2.68Å; R156-E160 PolarHBondContact NE-OE2 3.13Å; R156-E160 IonicContact NH2-OE1 3.86Å; R156-E160 PolarHBondContact NH2-OE1 3.15Å; R156-E160 IonicContact NH2-OE2 3.13Å; R156-E160 PolarHBondContact NH2-OE2 3.27Å; R156-E160 WeakPolarHBondContact O-CB 3.08Å; R156-E160 PolarHBondContact O-N 3.47Å
161G97.9Very high97.5Very high24 Ų2455.4 Ų55.425%0.24726%0.261CS..Iπ-helixtrans-110.4-90.9-175.900000113A157 Y158 C163 V164 E165A157-G161 PolarHBondContact O-N 3.47Å; A157-G161 VanDerWaalsContact O-N 3.17Å; Y158-G161 CarbonylContact O-C 3.44Å; Y158-G161 PolarHBondContact O-N 3.21Å; G161-C163 VanDerWaalsContact C-N 3.31Å; G161-C163 PolarHBondContact O-N 2.89Å; G161-V164 WeakPolarHBondContact O-CB 3.49Å; G161-V164 PolarHBondContact O-N 3.21Å; G161-E165 PolarHBondContact O-N 3.36Å
162T97.6Very high97.5Very high57 Ų5757 Ų5735%0.3527%0.273SS..Iπ-helixtrans-55.3-40.9-170.6-56.30000113.6Y158 V164 E165 W166Y158-T162 HydrophobicContact CD2-CG2 4.05Å; Y158-T162 HydrophobicContact CE2-CG2 3.99Å; Y158-T162 PolarHBondContact O-N 3.33Å; Y158-T162 VanDerWaalsContact O-N 3.11Å; T162-V164 PolarHBondContact O-N 3.13Å; T162-E165 PolarHBondContact O-N 2.9Å; T162-W166 PolarHBondContact O-N 2.83Å
163C98.3Very high97.4Very high0 Ų059 Ų590%028%0.282CS..Hα-helixtrans-60.8-45.4177.6-176.60000111.6M4 C100 Y158 G161 W166 L167M4-C163 HydrophobicContact CE-CB 4.15Å; M4-C163 VanDerWaalsContact CE-O 3.27Å; M4-C163 WeakPolarHBondContact CE-O 3.36Å; M4-C163 WeakPolarHBondContact CE-SG 3.33Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.45Å; C100-C163 PolarHBondContact N-SG 2.85Å; C100-C163 VanDerWaalsContact N-SG 3.36Å; C100-C163 WeakPolarHBondContact SG-CB 3.44Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.44Å; Y158-C163 HydrophobicContact CD1-CB 4.36Å; Y158-C163 HydrophobicContact CE1-CB 3.94Å; Y158-C163 WeakPolarHBondContact O-CB 3.23Å; Y158-C163 PolarHBondContact O-N 3.42Å; G161-C163 VanDerWaalsContact C-N 3.31Å; G161-C163 PolarHBondContact O-N 2.89Å; C163-W166 PolarHBondContact O-N 3.02Å; C163-L167 WeakPolarHBondContact O-CB 3.29Å; C163-L167 PolarHBondContact O-N 3.19Å
164V98.5Very high97.4Very high5 Ų553.8 Ų53.83%0.0326%0.258CS..Hα-helixtrans-66-40.8178.9173.70000111.3V102 F108 G161 T162 L167 R168V102-V164 HydrophobicContact CG1-CB 4.38Å; V102-V164 HydrophobicContact CG1-CG1 3.88Å; V102-V164 HydrophobicContact CG1-CG2 4.04Å; F108-V164 HydrophobicContact CB-CG2 4.01Å; F108-V164 HydrophobicContact CD2-CG2 3.64Å; F108-V164 HydrophobicContact CG-CG2 4.3Å; G161-V164 WeakPolarHBondContact O-CB 3.49Å; G161-V164 PolarHBondContact O-N 3.21Å; T162-V164 PolarHBondContact O-N 3.13Å; V164-L167 PolarHBondContact O-N 2.04Å; V164-R168 VanDerWaalsContact O-CG 3.31Å; V164-R168 WeakPolarHBondContact O-CG 3.34Å; V164-R168 PolarHBondContact O-N 3.11Å
165E98.1Very high97.4Very high129 Ų12953.6 Ų53.660%0.60326%0.256SS*.Hα-helixtrans-61.7-46.6177-70.5176.6171.100111.8G161 T162 R168 R169G161-E165 PolarHBondContact O-N 3.36Å; T162-E165 PolarHBondContact O-N 2.9Å; E165-R168 PolarHBondContact O-N 3Å; E165-R169 PolarHBondContact O-N 3.31Å; E165-R169 VanDerWaalsContact O-N 3.08Å
166W97.8Very high97.2Very high69 Ų6961.2 Ų61.226%0.26129%0.291SS..Hα-helixtrans-64.7-45.3176.2-81.4116.2000112.4M4 Y58 T162 C163 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 3.99Å; M4-W166 HydrophobicContact SD-CB 4.31Å; Y58-W166 AromaticContact CD2-CH2 3.46Å; Y58-W166 HydrophobicContact CD2-CH2 3.46Å; Y58-W166 VanDerWaalsContact CD2-CH2 3.46Å; Y58-W166 HydrophobicContact CD2-CZ2 4.03Å; Y58-W166 AromaticContact CD2-CZ3 3.9Å; Y58-W166 HydrophobicContact CD2-CZ3 3.9Å; Y58-W166 HydrophobicContact CE2-CE3 4.43Å; Y58-W166 AromaticContact CE2-CH2 3.84Å; Y58-W166 HydrophobicContact CE2-CH2 3.84Å; Y58-W166 HydrophobicContact CE2-CZ2 4.28Å; Y58-W166 AromaticContact CE2-CZ3 3.92Å; Y58-W166 HydrophobicContact CE2-CZ3 3.92Å; T162-W166 PolarHBondContact O-N 2.83Å; C163-W166 PolarHBondContact O-N 3.02Å; W166-R168 VanDerWaalsContact C-N 3.33Å; W166-R168 PolarHBondContact O-N 2.81Å; W166-R169 WeakPolarHBondContact O-CB 3.4Å; W166-R169 PolarHBondContact O-N 2.99Å; W166-R169 VanDerWaalsContact O-N 3.13Å; W166-Y170 HydrophobicContact CB-CE2 4.01Å; W166-Y170 HydrophobicContact CE3-CD1 4.4Å; W166-Y170 AromaticContact CE3-CE1 3.47Å; W166-Y170 HydrophobicContact CE3-CE1 3.47Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.47Å; W166-Y170 HydrophobicContact CE3-CE2 4.35Å; W166-Y170 AromaticContact CE3-CZ 3.43Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.43Å; W166-Y170 AromaticContact CZ3-CE1 3.87Å; W166-Y170 HydrophobicContact CZ3-CE1 3.87Å; W166-Y170 WeakPolarHBondContact O-CD2 3.43Å; W166-Y170 VanDerWaalsContact O-CG 3.25Å; W166-Y170 PolarHBondContact O-N 3.34Å
167L98.3Very high96.9Very high0 Ų060 Ų600%029%0.291CS..Hα-helixtrans-58.2-45177.6175.552000111.3H2 M4 V27 V102 C163 V164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.39Å; M4-L167 HydrophobicContact CB-CB 4.07Å; M4-L167 HydrophobicContact CB-CD1 4.02Å; M4-L167 HydrophobicContact CB-CD2 4.12Å; M4-L167 HydrophobicContact CB-CG 4.28Å; V27-L167 HydrophobicContact CG1-CD1 3.62Å; V27-L167 HydrophobicContact CG2-CD1 4.31Å; V102-L167 HydrophobicContact CB-CD2 4.33Å; V102-L167 HydrophobicContact CG1-CD2 3.93Å; V102-L167 HydrophobicContact CG2-CD2 3.61Å; V102-L167 HydrophobicContact CG2-CG 4.15Å; C163-L167 WeakPolarHBondContact O-CB 3.29Å; C163-L167 PolarHBondContact O-N 3.19Å; V164-L167 PolarHBondContact O-N 2.04Å; L167-R169 VanDerWaalsContact C-N 3.35Å; L167-R169 PolarHBondContact O-N 3.25Å; L167-Y170 PolarHBondContact O-N 2.91Å; L167-L171 HydrophobicContact CD1-CD1 3.85Å; L167-L171 HydrophobicContact CD1-CD2 4.47Å; L167-L171 HydrophobicContact CD1-CG 3.9Å; L167-L171 HydrophobicContact CG-CD1 4.01Å; L167-L171 WeakPolarHBondContact O-CB 3.38Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.31Å; L167-L171 PolarHBondContact O-N 2.86Å
168R97.4Very high96.7Very high120 Ų12057.1 Ų57.145%0.45327%0.266SS..Hα-helixtrans-60.1-43.6175.3-73.1174.5-176.2169.51.4112.3G106 V164 E165 W166 L171 E172G106-R168 PolarHBondContact O-NE 2.89Å; G106-R168 PolarHBondContact O-NH2 2.87Å; V164-R168 VanDerWaalsContact O-CG 3.31Å; V164-R168 WeakPolarHBondContact O-CG 3.34Å; V164-R168 PolarHBondContact O-N 3.11Å; E165-R168 PolarHBondContact O-N 3Å; W166-R168 VanDerWaalsContact C-N 3.33Å; W166-R168 PolarHBondContact O-N 2.81Å; R168-L171 PolarHBondContact O-N 3.18Å; R168-E172 PolarHBondContact O-N 2.81Å; R168-E172 VanDerWaalsContact O-N 3.07Å
169R96.8Very high96.4Very high116 Ų11658.3 Ų58.344%0.43828%0.275SS..Hα-helixtrans-61.8-44.2176.9177.1175.8173.9139.22.7111.5E54 E165 W166 L167 E172 N173E54-R169 VanDerWaalsContact CD-NH2 3.25Å; E54-R169 IonicContact OE1-CZ 3.35Å; E54-R169 VanDerWaalsContact OE1-CZ 3.29Å; E54-R169 IonicContact OE1-NE 2.71Å; E54-R169 PolarHBondContact OE1-NE 3.25Å; E54-R169 IonicContact OE1-NH2 2.78Å; E54-R169 PolarHBondContact OE1-NH2 3.4Å; E54-R169 IonicContact OE2-CZ 3.45Å; E54-R169 IonicContact OE2-NE 3.88Å; E54-R169 IonicContact OE2-NH2 3.26Å; E54-R169 PolarHBondContact OE2-NH2 3.04Å; E165-R169 PolarHBondContact O-N 3.31Å; E165-R169 VanDerWaalsContact O-N 3.08Å; W166-R169 WeakPolarHBondContact O-CB 3.4Å; W166-R169 PolarHBondContact O-N 2.99Å; W166-R169 VanDerWaalsContact O-N 3.13Å; L167-R169 VanDerWaalsContact C-N 3.35Å; L167-R169 PolarHBondContact O-N 3.25Å; R169-E172 PolarHBondContact O-N 3Å; R169-N173 VanDerWaalsContact O-CB 3.31Å; R169-N173 WeakPolarHBondContact O-CB 3.44Å; R169-N173 PolarHBondContact O-N 3Å; R169-N173 PolarHBondContact O-OD1 2.93Å
170Y97.4Very high96.2Very high0 Ų062 Ų620%029%0.288CS..Hα-helixtrans-66.6-38.7178.5-61.7-25.5000112.5M4 V27 F32 W50 I51 Y58 W166 L167 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.72Å; M4-Y170 HydrophobicContact SD-CE2 3.54Å; M4-Y170 VanDerWaalsContact SD-CE2 3.54Å; V27-Y170 HydrophobicContact CG2-CD2 3.97Å; F32-Y170 HydrophobicContact CD2-CE2 4.43Å; F32-Y170 HydrophobicContact CE2-CD2 4.22Å; F32-Y170 AromaticContact CE2-CE2 3.63Å; F32-Y170 HydrophobicContact CE2-CE2 3.63Å; F32-Y170 HydrophobicContact CZ-CD2 4.31Å; F32-Y170 AromaticContact CZ-CE2 3.83Å; F32-Y170 HydrophobicContact CZ-CE2 3.83Å; W50-Y170 HydrophobicContact CH2-CG 4.26Å; W50-Y170 AromaticContact CZ3-CD1 3.86Å; W50-Y170 HydrophobicContact CZ3-CD1 3.86Å; W50-Y170 HydrophobicContact CZ3-CD2 4.41Å; W50-Y170 AromaticContact CZ3-CG 3.72Å; W50-Y170 HydrophobicContact CZ3-CG 3.72Å; I51-Y170 HydrophobicContact CD1-CD1 3.75Å; I51-Y170 HydrophobicContact CD1-CE1 3.29Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.49Å; Y58-Y170 PolarHBondContact OH-OH 3.46Å; W166-Y170 HydrophobicContact CB-CE2 4.01Å; W166-Y170 HydrophobicContact CE3-CD1 4.4Å; W166-Y170 AromaticContact CE3-CE1 3.47Å; W166-Y170 HydrophobicContact CE3-CE1 3.47Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.47Å; W166-Y170 HydrophobicContact CE3-CE2 4.35Å; W166-Y170 AromaticContact CE3-CZ 3.43Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.43Å; W166-Y170 AromaticContact CZ3-CE1 3.87Å; W166-Y170 HydrophobicContact CZ3-CE1 3.87Å; W166-Y170 WeakPolarHBondContact O-CD2 3.43Å; W166-Y170 VanDerWaalsContact O-CG 3.25Å; W166-Y170 PolarHBondContact O-N 3.34Å; L167-Y170 PolarHBondContact O-N 2.91Å; Y170-E172 VanDerWaalsContact C-N 3.3Å; Y170-E172 PolarHBondContact O-N 2.88Å; Y170-N173 PolarHBondContact O-N 2.86Å; Y170-G174 WeakPolarHBondContact O-CA 3.46Å; Y170-G174 PolarHBondContact O-N 3.28Å; Y170-L178 WeakPolarHBondContact O-CD1 3.36Å
171L96.9Very high96.1Very high14 Ų1461.1 Ų61.17%0.07329%0.288CS..Hα-helixtrans-64-33.7174.6-71.7168.4000112.9H2 V27 V102 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.67Å; H2-L171 HydrophobicContact CB-CD2 4.01Å; H2-L171 HydrophobicContact CB-CG 4.41Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.29Å; V27-L171 HydrophobicContact CG1-CD2 4.08Å; V102-L171 HydrophobicContact CG2-CD1 4.48Å; L167-L171 HydrophobicContact CD1-CD1 3.85Å; L167-L171 HydrophobicContact CD1-CD2 4.47Å; L167-L171 HydrophobicContact CD1-CG 3.9Å; L167-L171 HydrophobicContact CG-CD1 4.01Å; L167-L171 WeakPolarHBondContact O-CB 3.38Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.31Å; L167-L171 PolarHBondContact O-N 2.86Å; R168-L171 PolarHBondContact O-N 3.18Å; L171-K175 VanDerWaalsContact O-CA 3.23Å; L171-K175 WeakPolarHBondContact O-CA 3.47Å; L171-K175 WeakPolarHBondContact O-CB 3.35Å; L171-K175 PolarHBondContact O-N 3.31Å; L171-K175 VanDerWaalsContact O-N 3.16Å; L171-L178 HydrophobicContact CD2-CB 4.13Å; L171-L178 HydrophobicContact CD2-CD1 4.31Å; L171-Q179 PolarHBondContact O-NE2 2.87Å; L171-Q179 VanDerWaalsContact O-NE2 3.07Å
172E96.2Very high96Very high126 Ų12662.3 Ų62.359%0.58929%0.289SS*.Hα-helixtrans-73.2-49.1174-171.160.3-149.500110.9R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 2.81Å; R168-E172 VanDerWaalsContact O-N 3.07Å; R169-E172 PolarHBondContact O-N 3Å; Y170-E172 VanDerWaalsContact C-N 3.3Å; Y170-E172 PolarHBondContact O-N 2.88Å; E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 3.12Å; E172-K175 WeakPolarHBondContact O-CB 3.47Å; E172-K175 PolarHBondContact O-N 2.89Å
173N96.4Very high96Very high52 Ų5262.7 Ų62.728%0.27829%0.293SS..Hα-helixtrans-58.5-41.7178.6-77.70.9000112.8Q53 E54 R169 Y170Q53-N173 PolarHBondContact NE2-ND2 2.62Å; E54-N173 PolarHBondContact OE1-ND2 3Å; E54-N173 VanDerWaalsContact OE1-ND2 3.13Å; R169-N173 VanDerWaalsContact O-CB 3.31Å; R169-N173 WeakPolarHBondContact O-CB 3.44Å; R169-N173 PolarHBondContact O-N 3Å; R169-N173 PolarHBondContact O-OD1 2.93Å; Y170-N173 PolarHBondContact O-N 2.86Å
174G95.6Very high96Very high2 Ų263.1 Ų63.12%0.02130%0.295CS..THydrogen-bonded Turntrans-103.719.4-175.500000113.7W50 Y170 E172 E176 T177 L178W50-G174 VanDerWaalsContact CG-CA 3.5Å; Y170-G174 WeakPolarHBondContact O-CA 3.46Å; Y170-G174 PolarHBondContact O-N 3.28Å; E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 3.12Å; G174-E176 VanDerWaalsContact C-N 3.28Å; G174-E176 PolarHBondContact O-N 3.2Å; G174-E176 VanDerWaalsContact O-N 3.15Å; G174-T177 PolarHBondContact O-N 3.12Å; G174-L178 PolarHBondContact O-N 3.37Å
175K94.6Very high96Very high110 Ų11070.5 Ų70.548%0.47833%0.327SS..Hα-helixtrans-48.7-45.3-171.5-176.8174-176.2173.90114.1L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.23Å; L171-K175 WeakPolarHBondContact O-CA 3.47Å; L171-K175 WeakPolarHBondContact O-CB 3.35Å; L171-K175 PolarHBondContact O-N 3.31Å; L171-K175 VanDerWaalsContact O-N 3.16Å; E172-K175 WeakPolarHBondContact O-CB 3.47Å; E172-K175 PolarHBondContact O-N 2.89Å; K175-T177 PolarHBondContact O-N 3.07Å; K175-Q179 WeakPolarHBondContact O-CB 3.33Å; K175-Q179 PolarHBondContact O-N 3.22Å; K175-Q179 VanDerWaalsContact O-N 3.13Å
176E92.6Very high95.9Very high182 Ų18266.1 Ų66.185%0.8531%0.309SS*.Hα-helixtrans-65.2-24-179.7-63.3-175.416800113.5G174G174-E176 VanDerWaalsContact C-N 3.28Å; G174-E176 PolarHBondContact O-N 3.2Å; G174-E176 VanDerWaalsContact O-N 3.15Å
177T92.4Very high95.8Very high46 Ų4666.6 Ų66.628%0.28231%0.314SS..Hα-helixtrans-102.2-43.1-178.4-52.90000112.4G174 K175 R180G174-T177 PolarHBondContact O-N 3.12Å; K175-T177 PolarHBondContact O-N 3.07Å; T177-R180 WeakPolarHBondContact O-CD 3.35Å; T177-R180 VanDerWaalsContact O-CG 3.28Å; T177-R180 WeakPolarHBondContact O-CG 3.41Å
178L93.6Very high95.6Very high4 Ų468 Ų682%0.02132%0.321CS..Hα-helixtrans-86-25.9-172.3-62.7172000113.2V27 T30 W50 Y170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.26Å; V27-L178 HydrophobicContact CB-CD2 4.1Å; V27-L178 HydrophobicContact CG1-CD1 3.88Å; V27-L178 HydrophobicContact CG1-CD2 4.08Å; T30-L178 HydrophobicContact CG2-CD2 4.08Å; W50-L178 HydrophobicContact CD2-CD1 4.45Å; W50-L178 HydrophobicContact CH2-CD1 4.26Å; W50-L178 HydrophobicContact CZ2-CD1 3.82Å; W50-L178 HydrophobicContact CZ2-CD2 4.04Å; W50-L178 HydrophobicContact CZ2-CG 4.31Å; Y170-L178 WeakPolarHBondContact O-CD1 3.36Å; L171-L178 HydrophobicContact CD2-CB 4.13Å; L171-L178 HydrophobicContact CD2-CD1 4.31Å; G174-L178 PolarHBondContact O-N 3.37Å
179Q92.1Very high95.5Very high90 Ų9063.8 Ų63.842%0.42131%0.309SS..SBendtrans-106.514.4178.2-56179.834.700111.9L171 K175L171-Q179 PolarHBondContact O-NE2 2.87Å; L171-Q179 VanDerWaalsContact O-NE2 3.07Å; K175-Q179 WeakPolarHBondContact O-CB 3.33Å; K175-Q179 PolarHBondContact O-N 3.22Å; K175-Q179 VanDerWaalsContact O-N 3.13Å
180R94.4Very high95.4Very high78 Ų7861 Ų6129%0.29430%0.3SS..  trans-77.9156.6172.281-171.9173178.44.4110.1T177 D182 Y208 G238T177-R180 WeakPolarHBondContact O-CD 3.35Å; T177-R180 VanDerWaalsContact O-CG 3.28Å; T177-R180 WeakPolarHBondContact O-CG 3.41Å; R180-D182 IonicContact CZ-OD2 3.79Å; R180-D182 IonicContact NE-OD2 3Å; R180-D182 PolarHBondContact NE-OD2 2.81Å; R180-Y208 HydrophobicContact CG-CD1 3.76Å; R180-Y208 HydrophobicContact CG-CE1 4.16Å; R180-Y208 HydrophobicContact CG-CG 4.48Å; R180-Y208 WeakPolarHBondContact O-CD1 3.33Å; R180-G238 PolarHBondContact NH2-O 3.31Å
181T95.1Very high95.2Very high59 Ų5964.6 Ų64.636%0.36232%0.317SS..  trans-134.7111.9171.8-4.90000107.9Y208 E263T181-Y208 WeakPolarHBondContact CA-O 3.01Å; T181-E263 HydrophobicContact CG2-CB 3.99Å; T181-E263 HydrophobicContact CG2-CG 3.98Å
182D96.5Very high95Very high50 Ų5068.6 Ų68.627%0.26734%0.344SS..BIsolated β-bridgetrans-101.1113.9-179.9-64.3-36.5000107.9R180 F207 Y208 H262R180-D182 IonicContact CZ-OD2 3.79Å; R180-D182 IonicContact NE-OD2 3Å; R180-D182 PolarHBondContact NE-OD2 2.81Å; D182-F207 VanDerWaalsContact O-CA 3.25Å; D182-F207 WeakPolarHBondContact O-CA 3.38Å; D182-F207 WeakPolarHBondContact O-CB 3.43Å; D182-Y208 PolarHBondContact N-O 3.36Å; D182-Y208 PolarHBondContact O-N 2.87Å; D182-Y208 VanDerWaalsContact O-N 3.15Å; D182-H262 PolarHBondContact O-CE1 2.94Å
183P97.7Very high94.7Very high65 Ų6567.3 Ų67.342%0.42234%0.34SS..  trans-67.8145-179.325.7-32.8000111.6K185 L265P183-K185 PolarHBondContact O-N 2.88Å; P183-L265 HydrophobicContact CB-CD2 3.91Å
184P98.1Very high94.5Very high9 Ų967.4 Ų67.46%0.05835%0.345CS..  trans-65.1133.3178.627.2-34.9000111.9T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 4.13Å; P184-T186 HydrophobicContact CG-CG2 4.3Å; P184-T186 PolarHBondContact O-N 2.84Å; P184-A204 HydrophobicContact CB-CB 3.86Å; P184-F207 HydrophobicContact CB-CB 3.85Å; P184-F207 HydrophobicContact CB-CD1 3.93Å; P184-F207 HydrophobicContact CB-CG 4.15Å; P184-I212 HydrophobicContact CB-CD1 4.04Å; P184-I212 HydrophobicContact CG-CD1 4.08Å; P184-V260 HydrophobicContact CG-CG1 3.99Å; P184-H262 HydrophobicContact CG-CB 4.15Å; P184-L265 HydrophobicContact CG-CD1 3.84Å; P184-L265 HydrophobicContact CG-CD2 4.4Å; P184-L265 HydrophobicContact CG-CG 4.19Å
185K97.9Very high94.2Very high159 Ų15974.4 Ų74.469%0.69138%0.382SS*.EExtended strand (participates in β ladder)trans-79.6108.8164.4-65.1173.8-173.8168.30108P183 L205P183-K185 PolarHBondContact O-N 2.88Å; K185-L205 PolarHBondContact N-O 3.14Å; K185-L205 PolarHBondContact O-N 3.41Å
186T97.1Very high94.1Very high38 Ų3876.1 Ų76.123%0.23339%0.391CS..EExtended strand (participates in β ladder)trans-104.5140.6-174.757.60000112.6P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 4.13Å; P184-T186 HydrophobicContact CG-CG2 4.3Å; P184-T186 PolarHBondContact O-N 2.84Å; T186-W203 WeakPolarHBondContact CA-O 3.33Å; T186-A204 HydrophobicContact CG2-CB 4.41Å; T186-V260 HydrophobicContact CG2-CG1 4.3Å; T186-V260 HydrophobicContact CG2-CG2 4.09Å; T186-L269 HydrophobicContact CG2-CD1 4.37Å; T186-L271 HydrophobicContact CG2-CD1 4.07Å
187H94.7Very high94.1Very high79 Ų7971.9 Ų71.937%0.36637%0.371SS..EExtended strand (participates in β ladder)trans-152.3163.3170.467.1-76.8000110.5W203H187-W203 AromaticContact CD2-CD1 3.96Å; H187-W203 WeakPolarHBondContact CE1-CB 3.42Å; H187-W203 AromaticContact CE1-CD1 3.87Å; H187-W203 AromaticContact CE1-CG 3.54Å; H187-W203 PolarHBondContact N-O 3.43Å; H187-W203 AromaticContact NE2-CD1 3.47Å; H187-W203 AromaticContact NE2-CG 3.62Å; H187-W203 PolarHBondContact O-N 3.08Å
188M95.3Very high94.2Very high28 Ų2869.8 Ų69.814%0.13836%0.359CS..EExtended strand (participates in β ladder)trans-113146176.4-74.6-177.655.400111.1L200 R201 W216 L271 W273M188-L200 HydrophobicContact CE-CB 4.33Å; M188-L200 HydrophobicContact CE-CD1 4.11Å; M188-L200 HydrophobicContact CE-CD2 4.15Å; M188-L200 HydrophobicContact CE-CG 4.45Å; M188-R201 CarbonylContact C-O 3.55Å; M188-R201 WeakPolarHBondContact CA-O 3.49Å; M188-W216 HydrophobicContact CE-CH2 3.51Å; M188-W216 HydrophobicContact CE-CZ2 4.48Å; M188-W216 HydrophobicContact CE-CZ3 4.22Å; M188-W216 HydrophobicContact SD-CH2 4.28Å; M188-L271 HydrophobicContact CG-CB 4.31Å; M188-L271 HydrophobicContact SD-CB 3.83Å; M188-W273 HydrophobicContact CB-CE3 3.98Å; M188-W273 HydrophobicContact CB-CZ3 4.36Å; M188-W273 HydrophobicContact CE-CB 3.65Å; M188-W273 HydrophobicContact CE-CE3 4.34Å; M188-W273 PolarHBondContact SD-N 3.21Å
189T94.5Very high94.3Very high32 Ų3270.6 Ų70.620%0.19636%0.364CS..EExtended strand (participates in β ladder)trans-127.6142175.948.90000109H191 R201 W203T189-H191 VanDerWaalsContact CB-CE1 3.46Å; T189-H191 WeakPolarHBondContact CB-CE1 3.14Å; T189-H191 PolarHBondContact OG1-CE1 3.33Å; T189-H191 VanDerWaalsContact OG1-CE1 3.26Å; T189-R201 PolarHBondContact N-O 2.93Å; T189-R201 PolarHBondContact O-N 3.11Å; T189-R201 WeakPolarHBondContact OG1-CB 3.31Å; T189-R201 PolarHBondContact OG1-O 2.86Å; T189-W203 PolarHBondContact OG1-NE1 2.91Å
190H93.9Very high94.5Very high58 Ų5866.3 Ų66.327%0.26934%0.344SS..EExtended strand (participates in β ladder)trans-120.5124.9-177.6172.7-92.2000109.1A198 T199 L200 E253 W273H190-A198 WeakPolarHBondContact NE2-CB 3.23Å; H190-T199 WeakPolarHBondContact CA-O 3.38Å; H190-L200 HydrophobicContact CB-CD2 4.1Å; H190-E253 IonicContact NE2-OE1 3.5Å; H190-W273 HydrophobicContact CB-CD2 4.19Å; H190-W273 HydrophobicContact CB-CE3 4.13Å; H190-W273 HydrophobicContact CB-CH2 3.3Å; H190-W273 HydrophobicContact CB-CZ2 3.32Å; H190-W273 HydrophobicContact CB-CZ3 3.71Å; H190-W273 AromaticContact CG-CZ2 3.87Å
191H93.2Very high94.7Very high75 Ų7565.1 Ų65.135%0.34734%0.339SS..EExtended strand (participates in β ladder)trans-125.7103.4-178.1-50.183.8000108.5T189 I193 A198 T199 R201T189-H191 VanDerWaalsContact CB-CE1 3.46Å; T189-H191 WeakPolarHBondContact CB-CE1 3.14Å; T189-H191 PolarHBondContact OG1-CE1 3.33Å; T189-H191 VanDerWaalsContact OG1-CE1 3.26Å; H191-I193 PolarHBondContact O-N 2.86Å; H191-A198 CarbonylContact O-C 3.6Å; H191-A198 WeakPolarHBondContact O-CA 3.21Å; H191-T199 PolarHBondContact N-O 3Å; H191-T199 PolarHBondContact O-N 3.43Å; H191-R201 PolarHBondContact CE1-NH1 3.13Å; H191-R201 PolarHBondContact NE2-NH1 3.44Å
192P92.7Very high94.8Very high99 Ų9962.3 Ų62.364%0.64332%0.322SS*.EExtended strand (participates in β ladder)trans-57.3131.2173.5-20.630.9000110.5
193I91.5Very high94.9Very high99 Ų9962.1 Ų62.151%0.50832%0.318SS..  trans-99-46173.1-61.5162.2000109.2H191 E197 T199 V247H191-I193 PolarHBondContact O-N 2.86Å; I193-E197 PolarHBondContact N-O 3.03Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.46Å; I193-V247 HydrophobicContact CD1-CG1 4.04Å; I193-V247 HydrophobicContact CD1-CG2 4.11Å
194S92Very high94.9Very high54 Ų5459 Ų5938%0.37830%0.298SS..SBendtrans-147.6-17817872.20000110.2H196 E197S194-H196 PolarHBondContact O-N 3.12Å; S194-H196 PolarHBondContact OG-N 3.39Å; S194-H196 VanDerWaalsContact OG-N 3.17Å; S194-E197 PolarHBondContact N-O 3.19Å; S194-E197 VanDerWaalsContact O-O 3.1Å; S194-E197 PolarHBondContact OG-N 2.62Å
195D88.7Confident94.9Very high149 Ų14961.1 Ų61.180%0.79731%0.308SS*.SBendtrans-63.1-20.1172.7-65.5-22.6000112.6S250D195-S250 WeakPolarHBondContact O-CB 3.28Å; D195-S250 PolarHBondContact O-OG 2.82Å
196H91.8Very high94.9Very high146 Ų14654.7 Ų54.768%0.67629%0.287SS*.SBendtrans-104.3-16.8-174.3-56.2-50.4000114S194 P249 S250S194-H196 PolarHBondContact O-N 3.12Å; S194-H196 PolarHBondContact OG-N 3.39Å; S194-H196 VanDerWaalsContact OG-N 3.17Å; H196-P249 CarbonylContact O-C 3.56Å; H196-P249 WeakPolarHBondContact O-CA 3.47Å; H196-S250 PolarHBondContact O-N 2.72Å; H196-S250 PolarHBondContact O-OG 2.83Å
197E94.2Very high94.9Very high92 Ų9252.9 Ų52.943%0.4328%0.276SS..EExtended strand (participates in β ladder)trans-146.5146.5-171-66.3178.5176.900112.5I193 S194 V247 V248 S250I193-E197 PolarHBondContact N-O 3.03Å; S194-E197 PolarHBondContact N-O 3.19Å; S194-E197 VanDerWaalsContact O-O 3.1Å; S194-E197 PolarHBondContact OG-N 2.62Å; E197-V247 HydrophobicContact CB-CG1 4.12Å; E197-V247 HydrophobicContact CG-CG1 4.35Å; E197-V248 WeakPolarHBondContact CA-O 3.38Å; E197-S250 PolarHBondContact N-OG 3.02Å
198A94.3Very high95Very high2 Ų249.3 Ų49.32%0.01726%0.259CS..EExtended strand (participates in β ladder)trans-136.9155.7172.600000111.3H190 H191 V247 V248H190-A198 WeakPolarHBondContact NE2-CB 3.23Å; H191-A198 CarbonylContact O-C 3.6Å; H191-A198 WeakPolarHBondContact O-CA 3.21Å; A198-V247 WeakPolarHBondContact O-CA 3.48Å; A198-V248 PolarHBondContact N-O 2.79Å; A198-V248 WeakPolarHBondContact O-CG2 3.23Å; A198-V248 PolarHBondContact O-N 3.13Å
199T95.8Very high95Very high22 Ų2249 Ų4914%0.13526%0.259CS..EExtended strand (participates in β ladder)trans-93.8120.1168.9-52.80000110H190 H191 I193 A245 V246H190-T199 WeakPolarHBondContact CA-O 3.38Å; H191-T199 PolarHBondContact N-O 3Å; H191-T199 PolarHBondContact O-N 3.43Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.46Å; T199-A245 HydrophobicContact CG2-CB 3.83Å; T199-V246 WeakPolarHBondContact CA-O 3.07Å
200L96.3Very high95.1Very high0 Ų048.1 Ų48.10%026%0.255CS..EExtended strand (participates in β ladder)trans-91.1126.3162.9-67.9179.9000109.1M188 H190 W216 A245 V246 V248 E253 W273M188-L200 HydrophobicContact CE-CB 4.33Å; M188-L200 HydrophobicContact CE-CD1 4.11Å; M188-L200 HydrophobicContact CE-CD2 4.15Å; M188-L200 HydrophobicContact CE-CG 4.45Å; H190-L200 HydrophobicContact CB-CD2 4.1Å; L200-W216 HydrophobicContact CB-CH2 3.68Å; L200-W216 HydrophobicContact CB-CZ2 4Å; L200-W216 HydrophobicContact CD1-CH2 4.17Å; L200-W216 HydrophobicContact CD1-CZ3 4.38Å; L200-A245 CarbonylContact O-C 3.49Å; L200-A245 WeakPolarHBondContact O-CA 3.16Å; L200-V246 HydrophobicContact CB-CG1 4.2Å; L200-V246 PolarHBondContact N-O 3.24Å; L200-V246 PolarHBondContact O-N 3.23Å; L200-V248 HydrophobicContact CD1-CG1 3.98Å; L200-V248 HydrophobicContact CD1-CG2 3.96Å; L200-V248 HydrophobicContact CG-CG1 4.26Å; L200-V248 HydrophobicContact CG-CG2 3.83Å; L200-E253 HydrophobicContact CD1-CB 4Å; L200-E253 HydrophobicContact CD1-CG 4.37Å; L200-E253 HydrophobicContact CD2-CG 4.4Å; L200-W273 HydrophobicContact CD1-CB 4.31Å; L200-W273 HydrophobicContact CD2-CB 4.1Å; L200-W273 HydrophobicContact CD2-CD2 4.02Å; L200-W273 HydrophobicContact CD2-CE3 4.23Å; L200-W273 HydrophobicContact CD2-CG 3.95Å
201R97.1Very high95.3Very high52 Ų5252.2 Ų52.220%0.19628%0.275CS..EExtended strand (participates in β ladder)trans-121.7122175.5-178.7-175.4-611243.5110.4M188 T189 H191 W203 W243 A244 A245M188-R201 CarbonylContact C-O 3.55Å; M188-R201 WeakPolarHBondContact CA-O 3.49Å; T189-R201 PolarHBondContact N-O 2.93Å; T189-R201 PolarHBondContact O-N 3.11Å; T189-R201 WeakPolarHBondContact OG1-CB 3.31Å; T189-R201 PolarHBondContact OG1-O 2.86Å; H191-R201 PolarHBondContact CE1-NH1 3.13Å; H191-R201 PolarHBondContact NE2-NH1 3.44Å; R201-W203 HydrophobicContact CG-CZ2 4.44Å; R201-W243 HydrophobicContact CG-CB 4.05Å; R201-W243 HydrophobicContact CG-CD2 4.15Å; R201-W243 HydrophobicContact CG-CE3 3.93Å; R201-W243 HydrophobicContact CG-CG 4.25Å; R201-A244 WeakPolarHBondContact CA-O 3.4Å; R201-A245 HydrophobicContact CB-CB 3.97Å; R201-A245 HydrophobicContact CG-CB 4.09Å
202C97.4Very high95.5Very high0 Ų049.1 Ų49.10%026%0.261CS..EExtended strand (participates in β ladder)trans-94.7122.5176.1-1770000109.4W216 W243 A244 C258C202-W216 HydrophobicContact CB-CH2 4.47Å; C202-W216 HydrophobicContact CB-CZ2 3.67Å; C202-W243 CarbonylContact O-C 3.58Å; C202-W243 WeakPolarHBondContact O-CA 3.42Å; C202-W243 VanDerWaalsContact O-CB 3.23Å; C202-W243 WeakPolarHBondContact O-CB 3.33Å; C202-A244 PolarHBondContact N-O 2.9Å; C202-A244 PolarHBondContact O-N 3.29Å; C202-C258 HydrophobicContact CB-CB 3.51Å; C202-C258 WeakPolarHBondContact CB-SG 3.13Å; C202-C258 WeakPolarHBondContact SG-CB 3.32Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 2.79Å
203W97.9Very high95.7Very high47 Ų4747.2 Ų47.218%0.17825%0.247CC..EExtended strand (participates in β ladder)trans-106.5142.2-179.2-68.187.6000110.6T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.33Å; H187-W203 AromaticContact CD2-CD1 3.96Å; H187-W203 WeakPolarHBondContact CE1-CB 3.42Å; H187-W203 AromaticContact CE1-CD1 3.87Å; H187-W203 AromaticContact CE1-CG 3.54Å; H187-W203 PolarHBondContact N-O 3.43Å; H187-W203 AromaticContact NE2-CD1 3.47Å; H187-W203 AromaticContact NE2-CG 3.62Å; H187-W203 PolarHBondContact O-N 3.08Å; T189-W203 PolarHBondContact OG1-NE1 2.91Å; R201-W203 HydrophobicContact CG-CZ2 4.44Å; W203-L205 HydrophobicContact CE3-CD2 3.92Å; W203-L205 HydrophobicContact CZ3-CD2 4.48Å; W203-W243 HydrophobicContact CD2-CB 3.95Å; W203-W243 HydrophobicContact CD2-CG 4.43Å; W203-W243 HydrophobicContact CE3-CB 3.91Å; W203-W243 AromaticContact CE3-CD1 3.8Å; W203-W243 HydrophobicContact CE3-CG 4.19Å; W203-W243 HydrophobicContact CG-CB 4.34Å; W203-W243 AromaticContact CH2-CD1 3.64Å; W203-W243 HydrophobicContact CH2-CG 4.37Å; W203-W243 HydrophobicContact CZ3-CB 4.4Å; W203-W243 AromaticContact CZ3-CD1 3.41Å; W203-W243 VanDerWaalsContact CZ3-CD1 3.41Å; W203-W243 HydrophobicContact CZ3-CG 4.18Å
204A98.3Very high96Very high0 Ų042.8 Ų42.80%022%0.224CC..EExtended strand (participates in β ladder)trans-125.4122.2163.500000107.8P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.86Å; T186-A204 HydrophobicContact CG2-CB 4.41Å; A204-F207 HydrophobicContact CB-CD1 4.09Å; A204-F207 HydrophobicContact CB-CE1 3.87Å; A204-F207 WeakPolarHBondContact O-CE1 3.15Å; A204-I212 HydrophobicContact CB-CD1 3.72Å; A204-L214 HydrophobicContact CB-CD1 4.04Å; A204-L214 HydrophobicContact CB-CD2 4.25Å; A204-Q241 CarbonylContact O-C 3.58Å; A204-Q241 VanDerWaalsContact O-CA 3.29Å; A204-Q241 WeakPolarHBondContact O-CA 3.4Å; A204-K242 PolarHBondContact N-O 3.13Å; A204-K242 PolarHBondContact O-N 3.03Å; A204-K242 VanDerWaalsContact O-O 3.08Å
205L98.1Very high96.2Very high53 Ų5341.9 Ų41.928%0.27722%0.217SC..EExtended strand (participates in β ladder)trans-129149.2-175-58.8179.9000111.3K185 W203 F207 Q241K185-L205 PolarHBondContact N-O 3.14Å; K185-L205 PolarHBondContact O-N 3.41Å; W203-L205 HydrophobicContact CE3-CD2 3.92Å; W203-L205 HydrophobicContact CZ3-CD2 4.48Å; L205-F207 VanDerWaalsContact C-N 3.35Å; L205-F207 PolarHBondContact O-N 3.39Å; L205-Q241 HydrophobicContact CD2-CB 3.54Å
206G97.5Very high96.6Very high24 Ų2435 Ų3525%0.24718%0.179CC..EExtended strand (participates in β ladder)trans67.532.7167.500000113.9T239 F240G206-T239 WeakPolarHBondContact CA-OG1 3.33Å; G206-F240 PolarHBondContact N-O 2.83Å
207F97.8Very high96.8Very high0 Ų030 Ų300%016%0.157CC..EExtended strand (participates in β ladder)trans-103.3157.618059.7-90000112.4D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262D182-F207 VanDerWaalsContact O-CA 3.25Å; D182-F207 WeakPolarHBondContact O-CA 3.38Å; D182-F207 WeakPolarHBondContact O-CB 3.43Å; P184-F207 HydrophobicContact CB-CB 3.85Å; P184-F207 HydrophobicContact CB-CD1 3.93Å; P184-F207 HydrophobicContact CB-CG 4.15Å; A204-F207 HydrophobicContact CB-CD1 4.09Å; A204-F207 HydrophobicContact CB-CE1 3.87Å; A204-F207 WeakPolarHBondContact O-CE1 3.15Å; L205-F207 VanDerWaalsContact C-N 3.35Å; L205-F207 PolarHBondContact O-N 3.39Å; F207-P209 VanDerWaalsContact CD2-O 3.29Å; F207-P209 WeakPolarHBondContact CD2-O 3.43Å; F207-I212 HydrophobicContact CD1-CD1 3.91Å; F207-I212 HydrophobicContact CD2-CB 4.26Å; F207-I212 HydrophobicContact CD2-CD1 4Å; F207-I212 HydrophobicContact CE1-CD1 3.82Å; F207-I212 HydrophobicContact CE1-CG2 4.39Å; F207-I212 HydrophobicContact CE2-CB 3.72Å; F207-I212 HydrophobicContact CE2-CD1 3.93Å; F207-I212 HydrophobicContact CE2-CG1 4.42Å; F207-I212 HydrophobicContact CE2-CG2 3.56Å; F207-I212 HydrophobicContact CG-CD1 4.01Å; F207-I212 HydrophobicContact CZ-CB 4.1Å; F207-I212 HydrophobicContact CZ-CD1 3.87Å; F207-I212 HydrophobicContact CZ-CG2 3.5Å; F207-I212 VanDerWaalsContact CZ-CG2 3.5Å; F207-T232 HydrophobicContact CE2-CG2 4.06Å; F207-T232 HydrophobicContact CZ-CG2 3.87Å; F207-T239 WeakPolarHBondContact O-CA 3.46Å; F207-F240 VanDerWaalsContact CD1-O 3.3Å; F207-F240 WeakPolarHBondContact CD1-O 3.37Å; F207-F240 HydrophobicContact CD2-CB 3.94Å; F207-F240 HydrophobicContact CE1-CB 4.26Å; F207-F240 WeakPolarHBondContact CE1-O 3.14Å; F207-F240 HydrophobicContact CE2-CB 3.47Å; F207-F240 VanDerWaalsContact CE2-CB 3.47Å; F207-F240 HydrophobicContact CE2-CG 4.48Å; F207-F240 HydrophobicContact CG-CB 4.47Å; F207-F240 HydrophobicContact CZ-CB 3.64Å; F207-F240 PolarHBondContact N-O 3.28Å; F207-F240 PolarHBondContact O-N 2.81Å; F207-K242 HydrophobicContact CE1-CB 4.34Å; F207-K242 HydrophobicContact CZ-CB 4.1Å; F207-H262 AromaticContact CD2-CD2 3.81Å; F207-H262 AromaticContact CD2-NE2 3.62Å
208Y96.7Very high96.8Very high3 Ų329.4 Ų29.41%0.01215%0.15CC..BIsolated β-bridgetrans-152135.6173.7-179.3-84.9000109D29 T30 R180 T181 D182 G238 F240 H262D29-Y208 HydrophobicContact CB-CE2 4.5Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.4Å; T30-Y208 PolarHBondContact OG1-OH 2.79Å; R180-Y208 HydrophobicContact CG-CD1 3.76Å; R180-Y208 HydrophobicContact CG-CE1 4.16Å; R180-Y208 HydrophobicContact CG-CG 4.48Å; R180-Y208 WeakPolarHBondContact O-CD1 3.33Å; T181-Y208 WeakPolarHBondContact CA-O 3.01Å; D182-Y208 PolarHBondContact N-O 3.36Å; D182-Y208 PolarHBondContact O-N 2.87Å; D182-Y208 VanDerWaalsContact O-N 3.15Å; Y208-G238 WeakPolarHBondContact CD2-O 3.23Å; Y208-F240 HydrophobicContact CD2-CD2 4.39Å; Y208-F240 AromaticContact CD2-CE2 3.94Å; Y208-F240 HydrophobicContact CD2-CE2 3.94Å; Y208-F240 HydrophobicContact CE2-CE2 4.37Å; Y208-H262 PolarHBondContact O-CE1 3.13Å
209P95.9Very high96.8Very high21 Ų2134.1 Ų34.114%0.13618%0.176CC..SBendcis-73.9-176.75.131.6-37.4000114.2D29 F207 E211 H262D29-P209 WeakPolarHBondContact OD2-CB 3.33Å; F207-P209 VanDerWaalsContact CD2-O 3.29Å; F207-P209 WeakPolarHBondContact CD2-O 3.43Å; P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 3.39Å; P209-H262 PolarHBondContact O-NE2 3.2Å
210A96.8Very high96.5Very high14 Ų1435.5 Ų35.512%0.11619%0.194CC..SBendtrans-71.2-23.8-177.400000113.6D29 I212 T232 F240D29-A210 HydrophobicContact CB-CB 4.15Å; D29-A210 VanDerWaalsContact CG-CB 3.47Å; D29-A210 WeakPolarHBondContact OD2-CB 3.3Å; D29-A210 PolarHBondContact OD2-N 2.95Å; A210-I212 PolarHBondContact O-N 2.99Å; A210-I212 VanDerWaalsContact O-N 3.16Å; A210-T232 HydrophobicContact CB-CG2 4.27Å; A210-T232 WeakPolarHBondContact O-CG2 3.44Å; A210-F240 HydrophobicContact CB-CD1 3.73Å; A210-F240 HydrophobicContact CB-CD2 3.75Å; A210-F240 HydrophobicContact CB-CE1 3.7Å; A210-F240 HydrophobicContact CB-CE2 3.73Å; A210-F240 HydrophobicContact CB-CG 3.77Å; A210-F240 HydrophobicContact CB-CZ 3.74Å
211E96.6Very high96.3Very high145 Ų14541.7 Ų41.768%0.67822%0.223SC*.  trans-66.6112.7-179.2-17260-146.600110.7P209 H262P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 3.39Å; E211-H262 PolarHBondContact O-CD2 3.29Å; E211-H262 VanDerWaalsContact O-CD2 3.29Å
212I97.6Very high96.2Very high10 Ų1043.9 Ų43.95%0.05124%0.239CC..EExtended strand (participates in β ladder)trans-148.7142.4-179.9-163.7171.2000109.6P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 4.04Å; P184-I212 HydrophobicContact CG-CD1 4.08Å; A204-I212 HydrophobicContact CB-CD1 3.72Å; F207-I212 HydrophobicContact CD1-CD1 3.91Å; F207-I212 HydrophobicContact CD2-CB 4.26Å; F207-I212 HydrophobicContact CD2-CD1 4Å; F207-I212 HydrophobicContact CE1-CD1 3.82Å; F207-I212 HydrophobicContact CE1-CG2 4.39Å; F207-I212 HydrophobicContact CE2-CB 3.72Å; F207-I212 HydrophobicContact CE2-CD1 3.93Å; F207-I212 HydrophobicContact CE2-CG1 4.42Å; F207-I212 HydrophobicContact CE2-CG2 3.56Å; F207-I212 HydrophobicContact CG-CD1 4.01Å; F207-I212 HydrophobicContact CZ-CB 4.1Å; F207-I212 HydrophobicContact CZ-CD1 3.87Å; F207-I212 HydrophobicContact CZ-CG2 3.5Å; F207-I212 VanDerWaalsContact CZ-CG2 3.5Å; A210-I212 PolarHBondContact O-N 2.99Å; A210-I212 VanDerWaalsContact O-N 3.16Å; I212-L214 HydrophobicContact CD1-CD1 3.69Å; I212-L214 HydrophobicContact CG1-CD1 3.7Å; I212-L214 HydrophobicContact CG2-CD1 4.13Å; I212-K242 HydrophobicContact CG2-CB 4.18Å; I212-K242 HydrophobicContact CG2-CD 3.54Å; I212-V260 HydrophobicContact CD1-CG1 3.91Å; I212-V260 HydrophobicContact CG1-CG1 4.25Å; I212-Q261 VanDerWaalsContact CG1-O 3.3Å; I212-Q261 WeakPolarHBondContact CG1-O 3.39Å; I212-H262 HydrophobicContact CD1-CB 4.28Å; I212-H262 HydrophobicContact CG1-CB 4.04Å
213T97.3Very high95.9Very high58 Ų5844.6 Ų44.636%0.35624%0.242SC..EExtended strand (participates in β ladder)trans-112.9122.9174.1-59.50000110.1T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 4.02Å; T213-V260 WeakPolarHBondContact O-CA 3.35Å; T213-Q261 PolarHBondContact N-O 2.86Å; T213-Q261 PolarHBondContact O-N 2.9Å
214L97.3Very high95.2Very high6 Ų647.3 Ų47.33%0.03126%0.264CS..EExtended strand (participates in β ladder)trans-116.1124.5172.2-89.265000108.3A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 4.04Å; A204-L214 HydrophobicContact CB-CD2 4.25Å; I212-L214 HydrophobicContact CD1-CD1 3.69Å; I212-L214 HydrophobicContact CG1-CD1 3.7Å; I212-L214 HydrophobicContact CG2-CD1 4.13Å; L214-L229 HydrophobicContact CB-CD1 4.07Å; L214-K242 HydrophobicContact CD1-CD 4.27Å; L214-K242 HydrophobicContact CD2-CB 4.44Å; L214-K242 HydrophobicContact CD2-CG 4.47Å; L214-A244 HydrophobicContact CB-CB 4.05Å; L214-A244 HydrophobicContact CD2-CB 4.24Å; L214-H259 WeakPolarHBondContact CA-O 3.24Å; L214-V260 HydrophobicContact CD1-CG1 3.99Å; L214-V260 HydrophobicContact CD1-CG2 4.48Å; L214-V260 HydrophobicContact CG-CG2 4.29Å
215T96.3Very high94.4Very high36 Ų3656.1 Ų56.122%0.22131%0.305CS..EExtended strand (participates in β ladder)trans-134.8148.7179.546.50000110.8T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 4.02Å; T215-C258 CarbonylContact O-C 3.6Å; T215-C258 WeakPolarHBondContact O-CA 3.14Å; T215-H259 PolarHBondContact N-O 3.4Å; T215-H259 PolarHBondContact O-N 3.09Å; T215-H259 WeakPolarHBondContact OG1-CB 3.33Å; T215-H259 PolarHBondContact OG1-O 2.79Å
216W96.7Very high93.6Very high3 Ų358.8 Ų58.81%0.01132%0.319CS..EExtended strand (participates in β ladder)trans-107.8136.8173-82.8104.6000110.2M188 L200 C202 Q223 A244 V246 T257 C258M188-W216 HydrophobicContact CE-CH2 3.51Å; M188-W216 HydrophobicContact CE-CZ2 4.48Å; M188-W216 HydrophobicContact CE-CZ3 4.22Å; M188-W216 HydrophobicContact SD-CH2 4.28Å; L200-W216 HydrophobicContact CB-CH2 3.68Å; L200-W216 HydrophobicContact CB-CZ2 4Å; L200-W216 HydrophobicContact CD1-CH2 4.17Å; L200-W216 HydrophobicContact CD1-CZ3 4.38Å; C202-W216 HydrophobicContact CB-CH2 4.47Å; C202-W216 HydrophobicContact CB-CZ2 3.67Å; W216-Q223 HydrophobicContact CB-CB 4.17Å; W216-Q223 PolarHBondContact O-N 2.84Å; W216-A244 VanDerWaalsContact NE1-C 3.33Å; W216-A244 PolarHBondContact NE1-O 3.22Å; W216-V246 HydrophobicContact CD2-CB 4.35Å; W216-V246 HydrophobicContact CD2-CG1 3.45Å; W216-V246 VanDerWaalsContact CD2-CG1 3.45Å; W216-V246 HydrophobicContact CE3-CG1 3.75Å; W216-V246 HydrophobicContact CG-CB 4.24Å; W216-V246 HydrophobicContact CG-CG1 3.84Å; W216-V246 HydrophobicContact CH2-CG1 4.07Å; W216-V246 HydrophobicContact CZ2-CG1 3.83Å; W216-V246 HydrophobicContact CZ3-CG1 4.06Å; W216-T257 WeakPolarHBondContact CA-O 3.45Å; W216-T257 VanDerWaalsContact CE3-C 3.48Å; W216-C258 HydrophobicContact CD2-CB 4.19Å; W216-C258 HydrophobicContact CE3-CB 4.13Å; W216-C258 HydrophobicContact CH2-CB 4.07Å; W216-C258 HydrophobicContact CZ2-CB 4.1Å; W216-C258 HydrophobicContact CZ3-CB 4.07Å
217Q96.3Very high93.3Very high43 Ų4358.8 Ų58.820%0.20132%0.315CS..EExtended strand (participates in β ladder)trans-123.9146172.2-67.8-173.1-11.200110.2E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.52Å; Q217-E221 VanDerWaalsContact CA-O 3.25Å; Q217-E221 WeakPolarHBondContact CA-O 3.31Å; Q217-D222 VanDerWaalsContact CG-OD1 3.27Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.28Å; Q217-D222 PolarHBondContact NE2-OD1 2.86Å; Q217-Y256 CarbonylContact O-C 3.54Å; Q217-Y256 VanDerWaalsContact O-CA 3.29Å; Q217-Y256 WeakPolarHBondContact O-CA 3.27Å; Q217-T257 PolarHBondContact N-O 2.95Å; Q217-T257 PolarHBondContact O-N 2.88Å; Q217-H259 PolarHBondContact OE1-CE1 3.18Å; Q217-H259 PolarHBondContact OE1-NE2 2.84Å
218R95.4Very high93.2Very high78 Ų7864.3 Ų64.329%0.29434%0.341SS..EExtended strand (participates in β ladder)trans-117.9117.3168.1-178.1-178.266.6-167.2-5.4108.2G220 E221 Q223 R255 Y256R218-G220 PolarHBondContact O-N 2.9Å; R218-E221 PolarHBondContact N-O 2.9Å; R218-E221 PolarHBondContact O-N 3.06Å; R218-Q223 HydrophobicContact CB-CG 3.95Å; R218-R255 WeakPolarHBondContact CA-O 3.41Å; R218-R255 HydrophobicContact CG-CB 4.29Å; R218-Y256 HydrophobicContact CB-CD1 4.15Å; R218-Y256 HydrophobicContact CB-CE1 4Å; R218-Y256 WeakPolarHBondContact CD-OH 3.32Å; R218-Y256 HydrophobicContact CG-CD2 4.44Å; R218-Y256 HydrophobicContact CG-CE1 4.23Å; R218-Y256 HydrophobicContact CG-CE2 4.11Å
219D93.1Very high93.1Very high102 Ų10268.4 Ų68.455%0.54536%0.362SS..THydrogen-bonded Turntrans50.129.5-175.4-56.1-43.7000114.3R255D219-R255 PolarHBondContact N-O 3.45Å; D219-R255 IonicContact OD1-NE 3.68Å; D219-R255 IonicContact OD2-CZ 3.63Å; D219-R255 IonicContact OD2-NE 3.9Å; D219-R255 PolarHBondContact OD2-NE 2.99Å; D219-R255 IonicContact OD2-NH2 2.83Å; D219-R255 PolarHBondContact OD2-NH2 3.49Å
220G89.7Confident93.1Very high51 Ų5169 Ų6953%0.52637%0.365SS..THydrogen-bonded Turntrans91.5-1.7-177.700000115.6R218R218-G220 PolarHBondContact O-N 2.9Å
221E93.4Very high93Very high130 Ų13076.3 Ų76.361%0.60740%0.397SS*.EExtended strand (participates in β ladder)trans-97.1128.4175.3-63.9-175.316700111.9Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.52Å; Q217-E221 VanDerWaalsContact CA-O 3.25Å; Q217-E221 WeakPolarHBondContact CA-O 3.31Å; R218-E221 PolarHBondContact N-O 2.9Å; R218-E221 PolarHBondContact O-N 3.06Å; E221-Q223 PolarHBondContact O-NE2 2.84Å
222D93.4Very high93Very high98 Ų9871.6 Ų71.652%0.52438%0.378SS..EExtended strand (participates in β ladder)trans-62.2136-179.4-67.8-25.5000112.6Q217Q217-D222 VanDerWaalsContact CG-OD1 3.27Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.28Å; Q217-D222 PolarHBondContact NE2-OD1 2.86Å
223Q92.1Very high93Very high14 Ų1475 Ų757%0.06539%0.391CS..  trans-109.339.8-177.5-58.4-59.9-68.100112.2W216 R218 E221 Q225 D226 T227 Y256W216-Q223 HydrophobicContact CB-CB 4.17Å; W216-Q223 PolarHBondContact O-N 2.84Å; R218-Q223 HydrophobicContact CB-CG 3.95Å; E221-Q223 PolarHBondContact O-NE2 2.84Å; Q223-Q225 VanDerWaalsContact C-N 3.32Å; Q223-Q225 PolarHBondContact O-N 2.69Å; Q223-D226 PolarHBondContact O-N 2.89Å; Q223-T227 WeakPolarHBondContact O-CB 3.41Å; Q223-T227 PolarHBondContact O-N 2.88Å; Q223-T227 PolarHBondContact O-OG1 2.85Å; Q223-Y256 HydrophobicContact CG-CE1 4.37Å
224T83.1Confident93Very high104 Ų10476.7 Ų76.764%0.63840%0.402SS*.SBendtrans-62.1-31.4-170.546.20000114.9
225Q81.1Confident92.9Very high185 Ų18578.8 Ų78.886%0.86442%0.421SS*.SBendtrans-78.9-31.7-179.3-67.4-17410.500113Q223 T227Q223-Q225 VanDerWaalsContact C-N 3.32Å; Q223-Q225 PolarHBondContact O-N 2.69Å; Q225-T227 VanDerWaalsContact C-N 3.32Å
226D82.4Confident92.8Very high109 Ų10980.8 Ų80.858%0.58345%0.448SS*.SBendtrans-93.74.1-178-57.4-45.4000112.4Q223Q223-D226 PolarHBondContact O-N 2.89Å
227T90.6Very high92.5Very high25 Ų2585.9 Ų85.915%0.15348%0.476CS..EExtended strand (participates in β ladder)trans-97.5121.3-179.8-65.30000110.9Q223 Q225 L229 A244 A245Q223-T227 WeakPolarHBondContact O-CB 3.41Å; Q223-T227 PolarHBondContact O-N 2.88Å; Q223-T227 PolarHBondContact O-OG1 2.85Å; Q225-T227 VanDerWaalsContact C-N 3.32Å; T227-L229 HydrophobicContact CG2-CB 4.28Å; T227-L229 PolarHBondContact O-N 3.03Å; T227-A244 HydrophobicContact CG2-CB 4.01Å; T227-A245 CarbonylContact C-O 3.58Å; T227-A245 VanDerWaalsContact CA-O 3.29Å; T227-A245 WeakPolarHBondContact CA-O 3.3Å
228E94.6Very high92.3Very high115 Ų11585.8 Ų85.854%0.53749%0.486SS..EExtended strand (participates in β ladder)trans-78.1104.8162.6-173-174.2-171.600109W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.21Å; E228-W243 HydrophobicContact CG-CH2 3.88Å; E228-W243 HydrophobicContact CG-CZ3 3.81Å; E228-W243 WeakPolarHBondContact O-CZ3 3.25Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.44Å; E228-A244 CarbonylContact O-C 3.56Å; E228-A244 WeakPolarHBondContact O-CA 3.36Å; E228-A245 HydrophobicContact CB-CB 4.36Å; E228-A245 PolarHBondContact N-O 3.33Å; E228-A245 PolarHBondContact O-N 2.96Å
229L95Very high92.4Very high89 Ų8982.8 Ų82.847%0.46648%0.476SS..EExtended strand (participates in β ladder)trans-109.8118.8178.2-175.567.7000110L214 T227 A244L214-L229 HydrophobicContact CB-CD1 4.07Å; T227-L229 HydrophobicContact CG2-CB 4.28Å; T227-L229 PolarHBondContact O-N 3.03Å; L229-A244 HydrophobicContact CD1-CB 3.65Å
230V95.6Very high92.6Very high33 Ų3379 Ų7920%0.246%0.455CS..PPolyproline II helixtrans-83.8151.9174.4-63.90000112K242 W243V230-K242 HydrophobicContact CG2-CG 4.44Å; V230-K242 VanDerWaalsContact O-CE 3.26Å; V230-K242 WeakPolarHBondContact O-CE 3.34Å; V230-K242 WeakPolarHBondContact O-CG 3.29Å; V230-K242 PolarHBondContact O-NZ 3.41Å; V230-W243 HydrophobicContact CB-CD2 4.45Å; V230-W243 HydrophobicContact CB-CZ2 4.43Å; V230-W243 HydrophobicContact CG1-CD2 3.93Å; V230-W243 VanDerWaalsContact CG1-CE2 3.4Å; V230-W243 HydrophobicContact CG1-CE3 4.19Å; V230-W243 HydrophobicContact CG1-CH2 3.53Å; V230-W243 HydrophobicContact CG1-CZ2 3.21Å; V230-W243 HydrophobicContact CG1-CZ3 4Å; V230-W243 HydrophobicContact CG2-CD2 3.69Å; V230-W243 HydrophobicContact CG2-CE3 4.37Å; V230-W243 HydrophobicContact CG2-CG 3.71Å; V230-W243 HydrophobicContact CG2-CZ2 4.41Å; V230-W243 WeakPolarHBondContact CG2-O 3.49Å; V230-W243 PolarHBondContact N-O 2.94Å
231E95.8Very high93Very high169 Ų16978.7 Ų78.779%0.7944%0.44SS*.PPolyproline II helixtrans-57.9150.9167.5-67.3-174.2165.800111.2R233E231-R233 PolarHBondContact O-N 2.82Å
232T97.3Very high93.2Very high45 Ų4573.5 Ų73.528%0.27642%0.415SS..PPolyproline II helixtrans-68.7130.4175.1-56.60000108.5F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.06Å; F207-T232 HydrophobicContact CZ-CG2 3.87Å; A210-T232 HydrophobicContact CB-CG2 4.27Å; A210-T232 WeakPolarHBondContact O-CG2 3.44Å; T232-F240 HydrophobicContact CG2-CB 3.75Å; T232-F240 HydrophobicContact CG2-CD1 3.91Å; T232-F240 HydrophobicContact CG2-CG 4.09Å; T232-K242 WeakPolarHBondContact OG1-CD 3.42Å; T232-K242 PolarHBondContact OG1-NZ 2.78Å
233R96.6Very high93.5Very high83 Ų8370 Ų7031%0.31340%0.395SS..EExtended strand (participates in β ladder)trans-125.3146.3-176.267.8-174.3-177.3-124.8-6.7111.6E231 F240 Q241E231-R233 PolarHBondContact O-N 2.82Å; R233-F240 WeakPolarHBondContact O-CA 3.43Å; R233-Q241 HydrophobicContact CG-CG 3.5Å; R233-Q241 VanDerWaalsContact CG-CG 3.5Å; R233-Q241 PolarHBondContact N-O 2.68Å; R233-Q241 WeakPolarHBondContact O-CG 3.07Å; R233-Q241 PolarHBondContact O-N 3.41Å
234P96.7Very high93.7Very high93 Ų9369.3 Ų69.360%0.60439%0.392SS*.EExtended strand (participates in β ladder)trans-68.3145.3177.128.3-34.3000111.1F240P234-F240 HydrophobicContact CB-CE1 4.3Å
235A96.1Very high94.4Very high50 Ų5064.5 Ų64.541%0.41336%0.362SS..  trans-88.8-17.217300000113T239A235-T239 WeakPolarHBondContact CB-O 3.17Å; A235-T239 PolarHBondContact N-O 2.83Å
236G93.1Very high95.1Very high77 Ų7755.8 Ų55.879%0.79432%0.322SS*.SBendtrans97.5-8.517900000114.9
237D92.3Very high95.7Very high111 Ų11154 Ų5459%0.59431%0.314SS*.SBendtrans-105.613.8176.962-0.9000113T239D237-T239 WeakPolarHBondContact OD1-CB 3.48Å; D237-T239 PolarHBondContact OD1-N 3.2Å; D237-T239 PolarHBondContact OD1-OG1 3.3Å
238G91.4Very high95.9Very high40 Ų4052.8 Ų52.841%0.41231%0.307SS..SBendtrans84.16.9-174.200000114.4R180 Y208R180-G238 PolarHBondContact NH2-O 3.31Å; Y208-G238 WeakPolarHBondContact CD2-O 3.23Å
239T96.7Very high95.9Very high15 Ų1549.5 Ų49.59%0.09230%0.295CS..  trans-109.4172.8170.673.30000112.1G206 F207 A235 D237G206-T239 WeakPolarHBondContact CA-OG1 3.33Å; F207-T239 WeakPolarHBondContact O-CA 3.46Å; A235-T239 WeakPolarHBondContact CB-O 3.17Å; A235-T239 PolarHBondContact N-O 2.83Å; D237-T239 WeakPolarHBondContact OD1-CB 3.48Å; D237-T239 PolarHBondContact OD1-N 3.2Å; D237-T239 PolarHBondContact OD1-OG1 3.3Å
240F98Very high95.7Very high23 Ų2347.9 Ų47.910%0.10129%0.292CS..EExtended strand (participates in β ladder)trans-120.4162.1-177.3-63.8-84.8000112.3D29 G206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.79Å; D29-F240 HydrophobicContact CB-CZ 3.56Å; G206-F240 PolarHBondContact N-O 2.83Å; F207-F240 VanDerWaalsContact CD1-O 3.3Å; F207-F240 WeakPolarHBondContact CD1-O 3.37Å; F207-F240 HydrophobicContact CD2-CB 3.94Å; F207-F240 HydrophobicContact CE1-CB 4.26Å; F207-F240 WeakPolarHBondContact CE1-O 3.14Å; F207-F240 HydrophobicContact CE2-CB 3.47Å; F207-F240 VanDerWaalsContact CE2-CB 3.47Å; F207-F240 HydrophobicContact CE2-CG 4.48Å; F207-F240 HydrophobicContact CG-CB 4.47Å; F207-F240 HydrophobicContact CZ-CB 3.64Å; F207-F240 PolarHBondContact N-O 3.28Å; F207-F240 PolarHBondContact O-N 2.81Å; Y208-F240 HydrophobicContact CD2-CD2 4.39Å; Y208-F240 AromaticContact CD2-CE2 3.94Å; Y208-F240 HydrophobicContact CD2-CE2 3.94Å; Y208-F240 HydrophobicContact CE2-CE2 4.37Å; A210-F240 HydrophobicContact CB-CD1 3.73Å; A210-F240 HydrophobicContact CB-CD2 3.75Å; A210-F240 HydrophobicContact CB-CE1 3.7Å; A210-F240 HydrophobicContact CB-CE2 3.73Å; A210-F240 HydrophobicContact CB-CG 3.77Å; A210-F240 HydrophobicContact CB-CZ 3.74Å; T232-F240 HydrophobicContact CG2-CB 3.75Å; T232-F240 HydrophobicContact CG2-CD1 3.91Å; T232-F240 HydrophobicContact CG2-CG 4.09Å; R233-F240 WeakPolarHBondContact O-CA 3.43Å; P234-F240 HydrophobicContact CB-CE1 4.3Å
241Q98Very high95.4Very high44 Ų4449.4 Ų49.421%0.20631%0.314CS..EExtended strand (participates in β ladder)trans-140.5146.6173.949.9171.4-29.200110.1A204 L205 R233A204-Q241 CarbonylContact O-C 3.58Å; A204-Q241 VanDerWaalsContact O-CA 3.29Å; A204-Q241 WeakPolarHBondContact O-CA 3.4Å; L205-Q241 HydrophobicContact CD2-CB 3.54Å; R233-Q241 HydrophobicContact CG-CG 3.5Å; R233-Q241 VanDerWaalsContact CG-CG 3.5Å; R233-Q241 PolarHBondContact N-O 2.68Å; R233-Q241 WeakPolarHBondContact O-CG 3.07Å; R233-Q241 PolarHBondContact O-N 3.41Å
242K98.4Very high95.2Very high21 Ų2144.3 Ų44.39%0.09129%0.29CS..EExtended strand (participates in β ladder)trans-150.4154176.7-162.3-177.2-171.971.10108.9A204 F207 I212 L214 V230 T232A204-K242 PolarHBondContact N-O 3.13Å; A204-K242 PolarHBondContact O-N 3.03Å; A204-K242 VanDerWaalsContact O-O 3.08Å; F207-K242 HydrophobicContact CE1-CB 4.34Å; F207-K242 HydrophobicContact CZ-CB 4.1Å; I212-K242 HydrophobicContact CG2-CB 4.18Å; I212-K242 HydrophobicContact CG2-CD 3.54Å; L214-K242 HydrophobicContact CD1-CD 4.27Å; L214-K242 HydrophobicContact CD2-CB 4.44Å; L214-K242 HydrophobicContact CD2-CG 4.47Å; V230-K242 HydrophobicContact CG2-CG 4.44Å; V230-K242 VanDerWaalsContact O-CE 3.26Å; V230-K242 WeakPolarHBondContact O-CE 3.34Å; V230-K242 WeakPolarHBondContact O-CG 3.29Å; V230-K242 PolarHBondContact O-NZ 3.41Å; T232-K242 WeakPolarHBondContact OG1-CD 3.42Å; T232-K242 PolarHBondContact OG1-NZ 2.78Å
243W97.8Very high95Very high25 Ų2543.3 Ų43.310%0.09528%0.282CS..EExtended strand (participates in β ladder)trans-143157.3169.659.5-106.1000111.4R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 4.05Å; R201-W243 HydrophobicContact CG-CD2 4.15Å; R201-W243 HydrophobicContact CG-CE3 3.93Å; R201-W243 HydrophobicContact CG-CG 4.25Å; C202-W243 CarbonylContact O-C 3.58Å; C202-W243 WeakPolarHBondContact O-CA 3.42Å; C202-W243 VanDerWaalsContact O-CB 3.23Å; C202-W243 WeakPolarHBondContact O-CB 3.33Å; W203-W243 HydrophobicContact CD2-CB 3.95Å; W203-W243 HydrophobicContact CD2-CG 4.43Å; W203-W243 HydrophobicContact CE3-CB 3.91Å; W203-W243 AromaticContact CE3-CD1 3.8Å; W203-W243 HydrophobicContact CE3-CG 4.19Å; W203-W243 HydrophobicContact CG-CB 4.34Å; W203-W243 AromaticContact CH2-CD1 3.64Å; W203-W243 HydrophobicContact CH2-CG 4.37Å; W203-W243 HydrophobicContact CZ3-CB 4.4Å; W203-W243 AromaticContact CZ3-CD1 3.41Å; W203-W243 VanDerWaalsContact CZ3-CD1 3.41Å; W203-W243 HydrophobicContact CZ3-CG 4.18Å; E228-W243 HydrophobicContact CB-CZ3 4.21Å; E228-W243 HydrophobicContact CG-CH2 3.88Å; E228-W243 HydrophobicContact CG-CZ3 3.81Å; E228-W243 WeakPolarHBondContact O-CZ3 3.25Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.44Å; V230-W243 HydrophobicContact CB-CD2 4.45Å; V230-W243 HydrophobicContact CB-CZ2 4.43Å; V230-W243 HydrophobicContact CG1-CD2 3.93Å; V230-W243 VanDerWaalsContact CG1-CE2 3.4Å; V230-W243 HydrophobicContact CG1-CE3 4.19Å; V230-W243 HydrophobicContact CG1-CH2 3.53Å; V230-W243 HydrophobicContact CG1-CZ2 3.21Å; V230-W243 HydrophobicContact CG1-CZ3 4Å; V230-W243 HydrophobicContact CG2-CD2 3.69Å; V230-W243 HydrophobicContact CG2-CE3 4.37Å; V230-W243 HydrophobicContact CG2-CG 3.71Å; V230-W243 HydrophobicContact CG2-CZ2 4.41Å; V230-W243 WeakPolarHBondContact CG2-O 3.49Å; V230-W243 PolarHBondContact N-O 2.94Å; W243-A245 HydrophobicContact CE3-CB 4.02Å; W243-A245 HydrophobicContact CZ3-CB 3.7Å
244A97.4Very high94.8Very high0 Ų043.4 Ų43.40%029%0.287CS..EExtended strand (participates in β ladder)trans-131.1133.1173.600000108.7R201 C202 L214 W216 T227 E228 L229R201-A244 WeakPolarHBondContact CA-O 3.4Å; C202-A244 PolarHBondContact N-O 2.9Å; C202-A244 PolarHBondContact O-N 3.29Å; L214-A244 HydrophobicContact CB-CB 4.05Å; L214-A244 HydrophobicContact CD2-CB 4.24Å; W216-A244 VanDerWaalsContact NE1-C 3.33Å; W216-A244 PolarHBondContact NE1-O 3.22Å; T227-A244 HydrophobicContact CG2-CB 4.01Å; E228-A244 CarbonylContact O-C 3.56Å; E228-A244 WeakPolarHBondContact O-CA 3.36Å; L229-A244 HydrophobicContact CD1-CB 3.65Å
245A96.8Very high94.6Very high2 Ų243.8 Ų43.82%0.01728%0.276CS..EExtended strand (participates in β ladder)trans-124.7147.7-179.700000112T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.83Å; L200-A245 CarbonylContact O-C 3.49Å; L200-A245 WeakPolarHBondContact O-CA 3.16Å; R201-A245 HydrophobicContact CB-CB 3.97Å; R201-A245 HydrophobicContact CG-CB 4.09Å; T227-A245 CarbonylContact C-O 3.58Å; T227-A245 VanDerWaalsContact CA-O 3.29Å; T227-A245 WeakPolarHBondContact CA-O 3.3Å; E228-A245 HydrophobicContact CB-CB 4.36Å; E228-A245 PolarHBondContact N-O 3.33Å; E228-A245 PolarHBondContact O-N 2.96Å; W243-A245 HydrophobicContact CE3-CB 4.02Å; W243-A245 HydrophobicContact CZ3-CB 3.7Å
246V96.7Very high94.6Very high3 Ų341.8 Ų41.82%0.01826%0.258CS..EExtended strand (participates in β ladder)trans-137.8140.9178.153.30000108.8T199 L200 W216 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.07Å; L200-V246 HydrophobicContact CB-CG1 4.2Å; L200-V246 PolarHBondContact N-O 3.24Å; L200-V246 PolarHBondContact O-N 3.23Å; W216-V246 HydrophobicContact CD2-CB 4.35Å; W216-V246 HydrophobicContact CD2-CG1 3.45Å; W216-V246 VanDerWaalsContact CD2-CG1 3.45Å; W216-V246 HydrophobicContact CE3-CG1 3.75Å; W216-V246 HydrophobicContact CG-CB 4.24Å; W216-V246 HydrophobicContact CG-CG1 3.84Å; W216-V246 HydrophobicContact CH2-CG1 4.07Å; W216-V246 HydrophobicContact CZ2-CG1 3.83Å; W216-V246 HydrophobicContact CZ3-CG1 4.06Å; V246-V248 HydrophobicContact CG1-CG1 3.94Å; V246-V248 HydrophobicContact CG2-CG1 4.07Å; V246-Y256 HydrophobicContact CG1-CD1 4.15Å; V246-Y256 HydrophobicContact CG2-CD1 4.04Å; V246-Y256 HydrophobicContact CG2-CE1 3.74Å
247V95.9Very high94.8Very high70 Ų7038.7 Ų38.742%0.42422%0.223SC..EExtended strand (participates in β ladder)trans-84126.9170.2-179.10000108.2I193 E197 A198I193-V247 HydrophobicContact CD1-CG1 4.04Å; I193-V247 HydrophobicContact CD1-CG2 4.11Å; E197-V247 HydrophobicContact CB-CG1 4.12Å; E197-V247 HydrophobicContact CG-CG1 4.35Å; A198-V247 WeakPolarHBondContact O-CA 3.48Å
248V94.8Very high95Very high0 Ų033.4 Ų33.40%020%0.195CC..EExtended strand (participates in β ladder)trans-125.6144-176.5-54.10000110.3E197 A198 L200 V246 E253 Y256E197-V248 WeakPolarHBondContact CA-O 3.38Å; A198-V248 PolarHBondContact N-O 2.79Å; A198-V248 WeakPolarHBondContact O-CG2 3.23Å; A198-V248 PolarHBondContact O-N 3.13Å; L200-V248 HydrophobicContact CD1-CG1 3.98Å; L200-V248 HydrophobicContact CD1-CG2 3.96Å; L200-V248 HydrophobicContact CG-CG1 4.26Å; L200-V248 HydrophobicContact CG-CG2 3.83Å; V246-V248 HydrophobicContact CG1-CG1 3.94Å; V246-V248 HydrophobicContact CG2-CG1 4.07Å; V248-E253 HydrophobicContact CG2-CG 3.93Å; V248-Y256 HydrophobicContact CB-CD2 4Å; V248-Y256 HydrophobicContact CB-CE2 3.76Å; V248-Y256 HydrophobicContact CG1-CD1 3.65Å; V248-Y256 HydrophobicContact CG1-CD2 3.56Å; V248-Y256 HydrophobicContact CG1-CE1 3.65Å; V248-Y256 HydrophobicContact CG1-CE2 3.59Å; V248-Y256 HydrophobicContact CG1-CG 3.6Å
249P94.7Very high95.3Very high46 Ų4633.1 Ų33.130%0.29918%0.183SC..EExtended strand (participates in β ladder)trans-62.8141.1170.1-2032.2000111.3H196 G251 E252H196-P249 CarbonylContact O-C 3.56Å; H196-P249 WeakPolarHBondContact O-CA 3.47Å; P249-G251 PolarHBondContact O-N 3.25Å; P249-E252 HydrophobicContact CB-CB 4.29Å; P249-E252 HydrophobicContact CB-CG 4.11Å; P249-E252 HydrophobicContact CG-CG 4.49Å; P249-E252 PolarHBondContact O-N 2.84Å
250S90.1Very high95.3Very high56 Ų5632.4 Ų32.439%0.39218%0.178SC..THydrogen-bonded Turntrans-55.6126.2174.9-64.70000110.7D195 H196 E197D195-S250 WeakPolarHBondContact O-CB 3.28Å; D195-S250 PolarHBondContact O-OG 2.82Å; H196-S250 PolarHBondContact O-N 2.72Å; H196-S250 PolarHBondContact O-OG 2.83Å; E197-S250 PolarHBondContact N-OG 3.02Å
251G88.4Confident95.3Very high65 Ų6536 Ų3667%0.6720%0.196SC*.THydrogen-bonded Turntrans89.9-7.1-178.900000114.9P249 E253P249-G251 PolarHBondContact O-N 3.25Å; G251-E253 WeakPolarHBondContact CA-OE2 3.32Å; G251-E253 VanDerWaalsContact N-CD 3.3Å; G251-E253 PolarHBondContact N-OE1 3.06Å; G251-E253 PolarHBondContact N-OE2 2.88Å
252E92.8Very high95.3Very high62 Ų6234.7 Ų34.729%0.2919%0.189SC..  trans-98.94175.6-65.1-162.5-163.800113.4P249 Q254 R255 Y256P249-E252 HydrophobicContact CB-CB 4.29Å; P249-E252 HydrophobicContact CB-CG 4.11Å; P249-E252 HydrophobicContact CG-CG 4.49Å; P249-E252 PolarHBondContact O-N 2.84Å; E252-Q254 PolarHBondContact O-N 3.35Å; E252-R255 VanDerWaalsContact CD-NH1 3.32Å; E252-R255 WeakPolarHBondContact O-CB 3.45Å; E252-R255 PolarHBondContact O-N 2.92Å; E252-R255 IonicContact OE1-NH1 2.79Å; E252-R255 IonicContact OE2-CZ 3.12Å; E252-R255 IonicContact OE2-NE 3.59Å; E252-R255 IonicContact OE2-NH1 2.64Å; E252-R255 PolarHBondContact OE2-NH1 2.98Å; E252-Y256 HydrophobicContact CB-CE2 4.37Å; E252-Y256 WeakPolarHBondContact O-CD2 3.27Å
253E92.3Very high95.1Very high23 Ų2340.9 Ų40.911%0.10722%0.219CC..G310 helixtrans-56.6-32.2-171.7-58.181.2-179.500112.9H190 L200 V248 G251 R255 Y256 W273H190-E253 IonicContact NE2-OE1 3.5Å; L200-E253 HydrophobicContact CD1-CB 4Å; L200-E253 HydrophobicContact CD1-CG 4.37Å; L200-E253 HydrophobicContact CD2-CG 4.4Å; V248-E253 HydrophobicContact CG2-CG 3.93Å; G251-E253 WeakPolarHBondContact CA-OE2 3.32Å; G251-E253 VanDerWaalsContact N-CD 3.3Å; G251-E253 PolarHBondContact N-OE1 3.06Å; G251-E253 PolarHBondContact N-OE2 2.88Å; E253-R255 VanDerWaalsContact C-N 3.28Å; E253-R255 PolarHBondContact O-N 2.83Å; E253-Y256 PolarHBondContact O-N 3.14Å; E253-W273 HydrophobicContact CB-CB 4.18Å; E253-W273 HydrophobicContact CB-CG 4.17Å
254Q91.6Very high95Very high86 Ų8640.7 Ų40.740%0.40222%0.224SC..G310 helixtrans-69.7-21.6179.3-66.2-60-41.400114E252 W273E252-Q254 PolarHBondContact O-N 3.35Å; Q254-W273 PolarHBondContact NE2-O 3Å; Q254-W273 PolarHBondContact OE1-O 2.61Å
255R94.3Very high94.9Very high101 Ų10141.9 Ų41.938%0.38123%0.23SC..G310 helixtrans-75.6-18.9177.1-62174.866.7-175.15.5111.8R218 D219 E252 E253R218-R255 WeakPolarHBondContact CA-O 3.41Å; R218-R255 HydrophobicContact CG-CB 4.29Å; D219-R255 PolarHBondContact N-O 3.45Å; D219-R255 IonicContact OD1-NE 3.68Å; D219-R255 IonicContact OD2-CZ 3.63Å; D219-R255 IonicContact OD2-NE 3.9Å; D219-R255 PolarHBondContact OD2-NE 2.99Å; D219-R255 IonicContact OD2-NH2 2.83Å; D219-R255 PolarHBondContact OD2-NH2 3.49Å; E252-R255 VanDerWaalsContact CD-NH1 3.32Å; E252-R255 WeakPolarHBondContact O-CB 3.45Å; E252-R255 PolarHBondContact O-N 2.92Å; E252-R255 IonicContact OE1-NH1 2.79Å; E252-R255 IonicContact OE2-CZ 3.12Å; E252-R255 IonicContact OE2-NE 3.59Å; E252-R255 IonicContact OE2-NH1 2.64Å; E252-R255 PolarHBondContact OE2-NH1 2.98Å; E253-R255 VanDerWaalsContact C-N 3.28Å; E253-R255 PolarHBondContact O-N 2.83Å
256Y95.1Very high94.9Very high8 Ų848.1 Ų48.13%0.03127%0.271CS..EExtended strand (participates in β ladder)trans-95130.4-178-69.8-100.6000111.1Q217 R218 Q223 V246 V248 E252 E253Q217-Y256 CarbonylContact O-C 3.54Å; Q217-Y256 VanDerWaalsContact O-CA 3.29Å; Q217-Y256 WeakPolarHBondContact O-CA 3.27Å; R218-Y256 HydrophobicContact CB-CD1 4.15Å; R218-Y256 HydrophobicContact CB-CE1 4Å; R218-Y256 WeakPolarHBondContact CD-OH 3.32Å; R218-Y256 HydrophobicContact CG-CD2 4.44Å; R218-Y256 HydrophobicContact CG-CE1 4.23Å; R218-Y256 HydrophobicContact CG-CE2 4.11Å; Q223-Y256 HydrophobicContact CG-CE1 4.37Å; V246-Y256 HydrophobicContact CG1-CD1 4.15Å; V246-Y256 HydrophobicContact CG2-CD1 4.04Å; V246-Y256 HydrophobicContact CG2-CE1 3.74Å; V248-Y256 HydrophobicContact CB-CD2 4Å; V248-Y256 HydrophobicContact CB-CE2 3.76Å; V248-Y256 HydrophobicContact CG1-CD1 3.65Å; V248-Y256 HydrophobicContact CG1-CD2 3.56Å; V248-Y256 HydrophobicContact CG1-CE1 3.65Å; V248-Y256 HydrophobicContact CG1-CE2 3.59Å; V248-Y256 HydrophobicContact CG1-CG 3.6Å; E252-Y256 HydrophobicContact CB-CE2 4.37Å; E252-Y256 WeakPolarHBondContact O-CD2 3.27Å; E253-Y256 PolarHBondContact O-N 3.14Å
257T96.6Very high94.8Very high11 Ų1155.8 Ų55.87%0.06730%0.304CS..EExtended strand (participates in β ladder)trans-127133.5178.760.70000110.7W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 3.45Å; W216-T257 VanDerWaalsContact CE3-C 3.48Å; Q217-T257 PolarHBondContact N-O 2.95Å; Q217-T257 PolarHBondContact O-N 2.88Å; T257-H259 PolarHBondContact OG1-NE2 3.32Å; T257-T270 HydrophobicContact CG2-CG2 4.33Å; T257-L271 CarbonylContact C-O 3.59Å; T257-L271 WeakPolarHBondContact CA-O 3.48Å; T257-R272 HydrophobicContact CG2-CG 3.8Å; T257-R272 VanDerWaalsContact CG2-NE 3.35Å
258C97Very high94.8Very high0 Ų056.3 Ų56.30%031%0.309CS..EExtended strand (participates in β ladder)trans-95.9127.6172.7173.80000109.7C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.51Å; C202-C258 WeakPolarHBondContact CB-SG 3.13Å; C202-C258 WeakPolarHBondContact SG-CB 3.32Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 2.79Å; T215-C258 CarbonylContact O-C 3.6Å; T215-C258 WeakPolarHBondContact O-CA 3.14Å; W216-C258 HydrophobicContact CD2-CB 4.19Å; W216-C258 HydrophobicContact CE3-CB 4.13Å; W216-C258 HydrophobicContact CH2-CB 4.07Å; W216-C258 HydrophobicContact CZ2-CB 4.1Å; W216-C258 HydrophobicContact CZ3-CB 4.07Å; C258-T270 CarbonylContact O-C 3.6Å; C258-T270 WeakPolarHBondContact O-CA 3.34Å; C258-L271 HydrophobicContact CB-CB 4.24Å; C258-L271 PolarHBondContact N-O 3.3Å; C258-L271 PolarHBondContact O-N 2.97Å
259H96.9Very high94.9Very high34 Ų3459.3 Ų59.316%0.15733%0.325CS..EExtended strand (participates in β ladder)trans-108.4126.5178.4-65.2-109000109.9L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.24Å; T215-H259 PolarHBondContact N-O 3.4Å; T215-H259 PolarHBondContact O-N 3.09Å; T215-H259 WeakPolarHBondContact OG1-CB 3.33Å; T215-H259 PolarHBondContact OG1-O 2.79Å; Q217-H259 PolarHBondContact OE1-CE1 3.18Å; Q217-H259 PolarHBondContact OE1-NE2 2.84Å; T257-H259 PolarHBondContact OG1-NE2 3.32Å; H259-L269 CarbonylContact C-O 3.58Å; H259-L269 WeakPolarHBondContact CA-O 3.46Å; H259-T270 PolarHBondContact CE1-OG1 3.5Å; H259-T270 PolarHBondContact ND1-OG1 2.98Å
260V97.8Very high95Very high0 Ų060.8 Ų60.80%033%0.333CS..EExtended strand (participates in β ladder)trans-119.3120.3-177.9-173.50000109.1P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.99Å; T186-V260 HydrophobicContact CG2-CG1 4.3Å; T186-V260 HydrophobicContact CG2-CG2 4.09Å; I212-V260 HydrophobicContact CD1-CG1 3.91Å; I212-V260 HydrophobicContact CG1-CG1 4.25Å; T213-V260 WeakPolarHBondContact O-CA 3.35Å; L214-V260 HydrophobicContact CD1-CG1 3.99Å; L214-V260 HydrophobicContact CD1-CG2 4.48Å; L214-V260 HydrophobicContact CG-CG2 4.29Å; V260-L265 HydrophobicContact CG1-CD1 4.24Å; V260-P268 WeakPolarHBondContact O-CA 3.5Å; V260-L269 HydrophobicContact CB-CB 4.35Å; V260-L269 PolarHBondContact N-O 3.34Å; V260-L269 PolarHBondContact O-N 2.69Å; V260-L271 HydrophobicContact CG2-CD1 3.89Å
261Q98.1Very high95.2Very high100 Ų10059.7 Ų59.747%0.46732%0.323SS..EExtended strand (participates in β ladder)trans-115.9129173.7-51.6-177.523.200109.2I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.3Å; I212-Q261 WeakPolarHBondContact CG1-O 3.39Å; T213-Q261 PolarHBondContact N-O 2.86Å; T213-Q261 PolarHBondContact O-N 2.9Å; Q261-P268 HydrophobicContact CG-CB 4.1Å; Q261-P268 HydrophobicContact CG-CG 4.18Å
262H97.6Very high95.4Very high15 Ų1564 Ų647%0.06932%0.319CS..EExtended strand (participates in β ladder)trans-155.2145-178.7-175.6-100.9000108.6D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 2.94Å; P184-H262 HydrophobicContact CG-CB 4.15Å; F207-H262 AromaticContact CD2-CD2 3.81Å; F207-H262 AromaticContact CD2-NE2 3.62Å; Y208-H262 PolarHBondContact O-CE1 3.13Å; P209-H262 PolarHBondContact O-NE2 3.2Å; E211-H262 PolarHBondContact O-CD2 3.29Å; E211-H262 VanDerWaalsContact O-CD2 3.29Å; I212-H262 HydrophobicContact CD1-CB 4.28Å; I212-H262 HydrophobicContact CG1-CB 4.04Å; H262-G264 PolarHBondContact ND1-N 2.86Å; H262-G264 PolarHBondContact O-N 3.15Å; H262-L265 HydrophobicContact CB-CD1 3.96Å; H262-L265 HydrophobicContact CB-CG 4.14Å; H262-L265 WeakPolarHBondContact O-CB 3.48Å; H262-L265 PolarHBondContact O-N 3.18Å
263E94.9Very high95.2Very high152 Ų15263.3 Ų63.371%0.7131%0.313SS*.THydrogen-bonded Turntrans-59.5-35.1-178.6-173.2178.3169.100112.7T181 L265T181-E263 HydrophobicContact CG2-CB 3.99Å; T181-E263 HydrophobicContact CG2-CG 3.98Å; E263-L265 PolarHBondContact O-N 2.83Å
264G94.4Very high94.6Very high20 Ų2069.8 Ų69.821%0.20634%0.344CS..THydrogen-bonded Turntrans-69.2-6.817600000114.8H262H262-G264 PolarHBondContact ND1-N 2.86Å; H262-G264 PolarHBondContact O-N 3.15Å
265L96.8Very high93.4Very high25 Ų2571.7 Ų71.713%0.13136%0.356CS..  trans-98.5127.6176.4-65.6170.7000110.4P183 P184 V260 H262 E263 K267 L269P183-L265 HydrophobicContact CB-CD2 3.91Å; P184-L265 HydrophobicContact CG-CD1 3.84Å; P184-L265 HydrophobicContact CG-CD2 4.4Å; P184-L265 HydrophobicContact CG-CG 4.19Å; V260-L265 HydrophobicContact CG1-CD1 4.24Å; H262-L265 HydrophobicContact CB-CD1 3.96Å; H262-L265 HydrophobicContact CB-CG 4.14Å; H262-L265 WeakPolarHBondContact O-CB 3.48Å; H262-L265 PolarHBondContact O-N 3.18Å; E263-L265 PolarHBondContact O-N 2.83Å; L265-K267 WeakPolarHBondContact CB-O 3.35Å; L265-K267 PolarHBondContact O-N 3.43Å; L265-L269 HydrophobicContact CD1-CB 4.44Å; L265-L269 HydrophobicContact CD1-CD1 3.84Å; L265-L269 HydrophobicContact CD1-CG 3.83Å; L265-L269 HydrophobicContact CD2-CD1 3.6Å; L265-L269 HydrophobicContact CD2-CG 3.94Å; L265-L269 HydrophobicContact CG-CD1 4.38Å; L265-L269 HydrophobicContact CG-CG 4.47Å
266P95.3Very high91.4Very high133 Ų13371.6 Ų71.686%0.86437%0.371SS*.SBendtrans-66.5-24.7178.627.5-34.9000112.7
267K95.9Very high88.9Confident164 Ų16476.1 Ų76.171%0.71340%0.403SS*.SBendtrans-145.6151.1173.3-65-175.5-178178.80108.9L265 L269L265-K267 WeakPolarHBondContact CB-O 3.35Å; L265-K267 PolarHBondContact O-N 3.43Å; K267-L269 PolarHBondContact O-N 3.36Å
268P96.3Very high86.3Confident81 Ų8183.5 Ų83.553%0.52644%0.437SS..  trans-51138.1171.1-27.636.1000111.8V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.5Å; Q261-P268 HydrophobicContact CG-CB 4.1Å; Q261-P268 HydrophobicContact CG-CG 4.18Å
269L96.4Very high83.5Confident64 Ų6488.9 Ų88.934%0.33547%0.472SS..EExtended strand (participates in β ladder)trans-90.7140.9173.9-67.7176.5000109.9T186 H259 V260 L265 K267T186-L269 HydrophobicContact CG2-CD1 4.37Å; H259-L269 CarbonylContact C-O 3.58Å; H259-L269 WeakPolarHBondContact CA-O 3.46Å; V260-L269 HydrophobicContact CB-CB 4.35Å; V260-L269 PolarHBondContact N-O 3.34Å; V260-L269 PolarHBondContact O-N 2.69Å; L265-L269 HydrophobicContact CD1-CB 4.44Å; L265-L269 HydrophobicContact CD1-CD1 3.84Å; L265-L269 HydrophobicContact CD1-CG 3.83Å; L265-L269 HydrophobicContact CD2-CD1 3.6Å; L265-L269 HydrophobicContact CD2-CG 3.94Å; L265-L269 HydrophobicContact CG-CD1 4.38Å; L265-L269 HydrophobicContact CG-CG 4.47Å; K267-L269 PolarHBondContact O-N 3.36Å
270T96.3Very high81.2Confident76 Ų7693.7 Ų93.747%0.46650%0.504SS..EExtended strand (participates in β ladder)trans-120.1116.8171-60.20000108.5T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 4.33Å; C258-T270 CarbonylContact O-C 3.6Å; C258-T270 WeakPolarHBondContact O-CA 3.34Å; H259-T270 PolarHBondContact CE1-OG1 3.5Å; H259-T270 PolarHBondContact ND1-OG1 2.98Å
271L94.6Very high79.1Confident34 Ų3498.9 Ų98.918%0.17853%0.53CS..EExtended strand (participates in β ladder)trans-103139.1179.5-63.5145.9000109T186 M188 T257 C258 V260T186-L271 HydrophobicContact CG2-CD1 4.07Å; M188-L271 HydrophobicContact CG-CB 4.31Å; M188-L271 HydrophobicContact SD-CB 3.83Å; T257-L271 CarbonylContact C-O 3.59Å; T257-L271 WeakPolarHBondContact CA-O 3.48Å; C258-L271 HydrophobicContact CB-CB 4.24Å; C258-L271 PolarHBondContact N-O 3.3Å; C258-L271 PolarHBondContact O-N 2.97Å; V260-L271 HydrophobicContact CG2-CD1 3.89Å
272R92.5Very high77Confident156 Ų15698.3 Ų98.359%0.58954%0.535SS*.EExtended strand (participates in β ladder)trans-119.2151.7169.3-61.2-161.4169.4159.2-4.8108.6T257 E274T257-R272 HydrophobicContact CG2-CG 3.8Å; T257-R272 VanDerWaalsContact CG2-NE 3.35Å; R272-E274 PolarHBondContact O-N 3.07Å; R272-E274 VanDerWaalsContact O-N 3.13Å
273W89.6Confident75.1Confident46 Ų46103.2 Ų103.217%0.17456%0.561CS.*  trans-62.3118.4169.1178.3-122.4000107.8M188 H190 L200 E253 Q254M188-W273 HydrophobicContact CB-CE3 3.98Å; M188-W273 HydrophobicContact CB-CZ3 4.36Å; M188-W273 HydrophobicContact CE-CB 3.65Å; M188-W273 HydrophobicContact CE-CE3 4.34Å; M188-W273 PolarHBondContact SD-N 3.21Å; H190-W273 HydrophobicContact CB-CD2 4.19Å; H190-W273 HydrophobicContact CB-CE3 4.13Å; H190-W273 HydrophobicContact CB-CH2 3.3Å; H190-W273 HydrophobicContact CB-CZ2 3.32Å; H190-W273 HydrophobicContact CB-CZ3 3.71Å; H190-W273 AromaticContact CG-CZ2 3.87Å; L200-W273 HydrophobicContact CD1-CB 4.31Å; L200-W273 HydrophobicContact CD2-CB 4.1Å; L200-W273 HydrophobicContact CD2-CD2 4.02Å; L200-W273 HydrophobicContact CD2-CE3 4.23Å; L200-W273 HydrophobicContact CD2-CG 3.95Å; E253-W273 HydrophobicContact CB-CB 4.18Å; E253-W273 HydrophobicContact CB-CG 4.17Å; Q254-W273 PolarHBondContact NE2-O 3Å; Q254-W273 PolarHBondContact OE1-O 2.61Å
274E79.8Confident73.3Confident160 Ų160101.7 Ų101.775%0.74856%0.562SS**  trans-90.5122.3165.6-71.7-178175.800106.4R272 S276R272-E274 PolarHBondContact O-N 3.07Å; R272-E274 VanDerWaalsContact O-N 3.13Å; E274-S276 PolarHBondContact O-N 3.15Å
275L64.7Low71.7Confident126 Ų126102.9 Ų102.966%0.6657%0.574SS**  trans-60.698.8162.7-87.4103.3000105.5S277L275-S277 VanDerWaalsContact C-N 3.28Å; L275-S277 PolarHBondContact O-N 3.33Å
276S52.3Low70.3Confident99 Ų99106.1 Ų106.169%0.69259%0.591SS**  trans-54.7104.2169.1-178.50000105.9E274 Q278E274-S276 PolarHBondContact O-N 3.15Å; S276-Q278 PolarHBondContact O-N 2.84Å
277S42.6Very low69.1Low102 Ų102104.4 Ų104.471%0.71357%0.573SS**  trans-58.494.2162.248.40000104.7L275 P279L275-S277 VanDerWaalsContact C-N 3.28Å; L275-S277 PolarHBondContact O-N 3.33Å; S277-P279 WeakPolarHBondContact O-CD 3.38Å
278Q41.8Very low67.9Low166 Ų16699 Ų9978%0.77656%0.559SS**  trans-43.8122.5151.4-77.8-174.2-14.100104.4S276 T280S276-Q278 PolarHBondContact O-N 2.84Å; Q278-T280 PolarHBondContact O-N 3.48Å
279P39.5Very low66.8Low113 Ų11396.6 Ų96.673%0.73455%0.549SS*.  trans-58.8105.117322.6-28.9000104.4S277 I281S277-P279 WeakPolarHBondContact O-CD 3.38Å; P279-I281 PolarHBondContact O-N 3.44Å
280T48.4Very low66.1Low136 Ų13698.8 Ų98.883%0.83456%0.56SS**  trans-61.588.7163.5-8.10000103.1Q278 P282Q278-T280 PolarHBondContact O-N 3.48Å; T280-P282 WeakPolarHBondContact O-CD 3.46Å
281I53.7Low65.2Low108 Ų10899.9 Ų99.955%0.55457%0.567SS**  trans-46.3120.6164.9-63.2174.3000102.9P279 I283 I286P279-I281 PolarHBondContact O-N 3.44Å; I281-I283 WeakPolarHBondContact O-CG1 3.4Å; I281-I283 PolarHBondContact O-N 2.86Å; I281-I286 HydrophobicContact CG2-CD1 3.72Å
282P53.2Low64.3Low88 Ų88103.9 Ų103.957%0.57159%0.588SS**  trans-71.286.6-174.427.7-32.1000106.6T280 V284 G285 I286T280-P282 WeakPolarHBondContact O-CD 3.46Å; P282-V284 PolarHBondContact O-N 3.12Å; P282-V284 VanDerWaalsContact O-N 3.09Å; P282-G285 PolarHBondContact O-N 2.9Å; P282-I286 PolarHBondContact O-N 3.42Å
283I58.9Low63.6Low118 Ų118101.5 Ų101.561%0.60559%0.586SS**Hα-helixtrans-54.4-32.2178.8-64.9174.3000108.6I281 G285 I286 I287I281-I283 WeakPolarHBondContact O-CG1 3.4Å; I281-I283 PolarHBondContact O-N 2.86Å; I283-G285 PolarHBondContact O-N 3.39Å; I283-I286 PolarHBondContact O-N 2.94Å; I283-I287 HydrophobicContact CG2-CD1 3.7Å; I283-I287 HydrophobicContact CG2-CG1 4.29Å; I283-I287 VanDerWaalsContact O-CG1 3.25Å; I283-I287 WeakPolarHBondContact O-CG1 3.49Å; I283-I287 PolarHBondContact O-N 2.95Å
284V56.2Low63Low120 Ų120101 Ų10173%0.72760%0.595SS**Hα-helixtrans-61.6-40.3174.2-175.20000112.9P282 A288P282-V284 PolarHBondContact O-N 3.12Å; P282-V284 VanDerWaalsContact O-N 3.09Å; V284-A288 WeakPolarHBondContact O-CB 3.42Å; V284-A288 PolarHBondContact O-N 3.16Å
285G61.3Low62.8Low45 Ų4596.3 Ų96.346%0.46458%0.584SS.*Hα-helixtrans-69.5-37179.200000112.7P282 I283 G289P282-G285 PolarHBondContact O-N 2.9Å; I283-G285 PolarHBondContact O-N 3.39Å; G285-G289 PolarHBondContact O-N 3.19Å
286I68.1Low63.5Low94 Ų9495 Ų9548%0.48258%0.581SS.*Hα-helixtrans-69.8-43.4176.1-61.5175000110.5I281 P282 I283 G289 L290I281-I286 HydrophobicContact CG2-CD1 3.72Å; P282-I286 PolarHBondContact O-N 3.42Å; I283-I286 PolarHBondContact O-N 2.94Å; I286-G289 PolarHBondContact O-N 3.21Å; I286-L290 HydrophobicContact CG2-CD1 3.99Å; I286-L290 HydrophobicContact CG2-CG 4.47Å; I286-L290 WeakPolarHBondContact O-CB 3.44Å; I286-L290 WeakPolarHBondContact O-CG 3.4Å; I286-L290 PolarHBondContact O-N 3.43Å
287I69.5Low64.7Low97 Ų9795.4 Ų95.450%0.49757%0.574SS.*Hα-helixtrans-63.5-46.4177-67.7170000110.8I283 G289 L290 V291I283-I287 HydrophobicContact CG2-CD1 3.7Å; I283-I287 HydrophobicContact CG2-CG1 4.29Å; I283-I287 VanDerWaalsContact O-CG1 3.25Å; I283-I287 WeakPolarHBondContact O-CG1 3.49Å; I283-I287 PolarHBondContact O-N 2.95Å; I287-G289 VanDerWaalsContact C-N 3.33Å; I287-G289 PolarHBondContact O-N 3.36Å; I287-L290 PolarHBondContact O-N 2.85Å; I287-V291 HydrophobicContact CG2-CG2 4.35Å; I287-V291 VanDerWaalsContact O-CG2 3.29Å; I287-V291 WeakPolarHBondContact O-CG2 3.29Å; I287-V291 PolarHBondContact O-N 2.91Å
288A69.9Low66.2Low50 Ų5094.7 Ų94.741%0.41357%0.566SS.*Hα-helixtrans-60.9-41.9177.400000112V284 V291 L292V284-A288 WeakPolarHBondContact O-CB 3.42Å; V284-A288 PolarHBondContact O-N 3.16Å; A288-V291 PolarHBondContact O-N 3.39Å; A288-L292 WeakPolarHBondContact O-CB 3.5Å; A288-L292 WeakPolarHBondContact O-CG 3.38Å; A288-L292 PolarHBondContact O-N 2.95Å
289G73.9Confident67.7Low30 Ų3088.8 Ų88.831%0.30955%0.549SS..Hα-helixtrans-62.4-43.2175.500000113.1G285 I286 I287 L292 L293G285-G289 PolarHBondContact O-N 3.19Å; I286-G289 PolarHBondContact O-N 3.21Å; I287-G289 VanDerWaalsContact C-N 3.33Å; I287-G289 PolarHBondContact O-N 3.36Å; G289-L292 PolarHBondContact O-N 3.46Å; G289-L293 WeakPolarHBondContact O-CB 3.44Å; G289-L293 PolarHBondContact O-N 2.98Å
290L80.2Confident69.4Low111 Ų11186.1 Ų86.158%0.58154%0.536SS*.Hα-helixtrans-67.5-38.7177.6-73.8171.4000112.6I286 I287 L293 G294I286-L290 HydrophobicContact CG2-CD1 3.99Å; I286-L290 HydrophobicContact CG2-CG 4.47Å; I286-L290 WeakPolarHBondContact O-CB 3.44Å; I286-L290 WeakPolarHBondContact O-CG 3.4Å; I286-L290 PolarHBondContact O-N 3.43Å; I287-L290 PolarHBondContact O-N 2.85Å; L290-L293 PolarHBondContact O-N 2.84Å; L290-G294 PolarHBondContact O-N 3.46Å
291V79.2Confident70.8Confident99 Ų9983.6 Ų83.660%0.652%0.521SS*.Hα-helixtrans-65-43.1175.8171.50000110.9I287 A288 G294 A295I287-V291 HydrophobicContact CG2-CG2 4.35Å; I287-V291 VanDerWaalsContact O-CG2 3.29Å; I287-V291 WeakPolarHBondContact O-CG2 3.29Å; I287-V291 PolarHBondContact O-N 2.91Å; A288-V291 PolarHBondContact O-N 3.39Å; V291-G294 PolarHBondContact O-N 3.34Å; V291-A295 WeakPolarHBondContact O-CB 3.17Å; V291-A295 PolarHBondContact O-N 3.33Å
292L75.7Confident71.8Confident118 Ų11882.5 Ų82.562%0.61852%0.519SS*.Hα-helixtrans-64.3-44.9176.7-74.3169.5000111.9A288 G289 G294 A295 V296A288-L292 WeakPolarHBondContact O-CB 3.5Å; A288-L292 WeakPolarHBondContact O-CG 3.38Å; A288-L292 PolarHBondContact O-N 2.95Å; G289-L292 PolarHBondContact O-N 3.46Å; L292-G294 VanDerWaalsContact C-N 3.35Å; L292-G294 PolarHBondContact O-N 2.91Å; L292-A295 PolarHBondContact O-N 2.99Å; L292-V296 VanDerWaalsContact O-CG2 3.31Å; L292-V296 WeakPolarHBondContact O-CG2 3.48Å; L292-V296 PolarHBondContact O-N 3.26Å
293L76.4Confident72.7Confident106 Ų10681.1 Ų81.156%0.55552%0.515SS*.Hα-helixtrans-61.1-43.8175-84.7160.5000111.7G289 L290 A295 V296 I297G289-L293 WeakPolarHBondContact O-CB 3.44Å; G289-L293 PolarHBondContact O-N 2.98Å; L290-L293 PolarHBondContact O-N 2.84Å; L293-A295 PolarHBondContact O-N 3.44Å; L293-V296 PolarHBondContact O-N 2.96Å; L293-I297 VanDerWaalsContact O-CG1 3.27Å; L293-I297 WeakPolarHBondContact O-CG1 3.42Å; L293-I297 PolarHBondContact O-N 3.04Å
294G77.2Confident73.4Confident36 Ų3678.2 Ų78.237%0.37151%0.509SS..Hα-helixtrans-56.3-49.3174.900000111.9L290 V291 L292 I297 T298L290-G294 PolarHBondContact O-N 3.46Å; V291-G294 PolarHBondContact O-N 3.34Å; L292-G294 VanDerWaalsContact C-N 3.35Å; L292-G294 PolarHBondContact O-N 2.91Å; G294-I297 PolarHBondContact O-N 3.5Å; G294-T298 PolarHBondContact O-N 2.91Å; G294-T298 PolarHBondContact O-OG1 2.87Å
295A76.9Confident74.2Confident60 Ų6076.4 Ų76.450%0.49650%0.497SS..Hα-helixtrans-63.8-40.6179.400000113.1V291 L292 L293 T298 G299V291-A295 WeakPolarHBondContact O-CB 3.17Å; V291-A295 PolarHBondContact O-N 3.33Å; L292-A295 PolarHBondContact O-N 2.99Å; L293-A295 PolarHBondContact O-N 3.44Å; A295-T298 WeakPolarHBondContact CA-OG1 3.27Å; A295-T298 PolarHBondContact O-N 3.06Å; A295-T298 PolarHBondContact O-OG1 2.71Å; A295-G299 PolarHBondContact O-N 3.09Å
296V79.5Confident74.7Confident99 Ų9980.5 Ų80.560%0.651%0.506SS*.Hα-helixtrans-64.5-44176.7171.30000110.9L292 L293 G299 A300L292-V296 VanDerWaalsContact O-CG2 3.31Å; L292-V296 WeakPolarHBondContact O-CG2 3.48Å; L292-V296 PolarHBondContact O-N 3.26Å; L293-V296 PolarHBondContact O-N 2.96Å; V296-G299 PolarHBondContact O-N 3.33Å; V296-A300 WeakPolarHBondContact O-CB 3.31Å; V296-A300 PolarHBondContact O-N 3.19Å
297I76.4Confident74.8Confident107 Ų10785.8 Ų85.855%0.54952%0.52SS..Hα-helixtrans-63.8-43.8177.6-66.6168.7000110.2L293 G294 G299 A300 V301L293-I297 VanDerWaalsContact O-CG1 3.27Å; L293-I297 WeakPolarHBondContact O-CG1 3.42Å; L293-I297 PolarHBondContact O-N 3.04Å; G294-I297 PolarHBondContact O-N 3.5Å; I297-G299 PolarHBondContact O-N 3.15Å; I297-A300 PolarHBondContact O-N 3.4Å; I297-V301 HydrophobicContact CG2-CG2 4.4Å; I297-V301 VanDerWaalsContact O-CG2 3.27Å; I297-V301 WeakPolarHBondContact O-CG2 3.48Å; I297-V301 PolarHBondContact O-N 2.89Å
298T73.1Confident74.6Confident88 Ų8890.7 Ų90.754%0.5453%0.532SS..Hα-helixtrans-63.3-44.1177.22.60000111.4G294 A295 A300 V301 V302G294-T298 PolarHBondContact O-N 2.91Å; G294-T298 PolarHBondContact O-OG1 2.87Å; A295-T298 WeakPolarHBondContact CA-OG1 3.27Å; A295-T298 PolarHBondContact O-N 3.06Å; A295-T298 PolarHBondContact O-OG1 2.71Å; T298-A300 PolarHBondContact O-N 3.03Å; T298-V301 PolarHBondContact O-N 3.45Å; T298-V302 VanDerWaalsContact O-CG2 3.29Å; T298-V302 WeakPolarHBondContact O-CG2 2.91Å; T298-V302 PolarHBondContact O-N 2.78Å
299G75Confident74.1Confident41 Ų4197.8 Ų97.842%0.42355%0.549SS..Hα-helixtrans-60.1-44176.100000112.8A295 V296 I297 V302 A303A295-G299 PolarHBondContact O-N 3.09Å; V296-G299 PolarHBondContact O-N 3.33Å; I297-G299 PolarHBondContact O-N 3.15Å; G299-V302 PolarHBondContact O-N 3.17Å; G299-A303 WeakPolarHBondContact O-CB 3.19Å; G299-A303 PolarHBondContact O-N 3.21Å
300A75.4Confident73.1Confident57 Ų57104.9 Ų104.947%0.47157%0.571SS.*Hα-helixtrans-65.1-41.2177.800000112.4V296 I297 T298 A303 A304V296-A300 WeakPolarHBondContact O-CB 3.31Å; V296-A300 PolarHBondContact O-N 3.19Å; I297-A300 PolarHBondContact O-N 3.4Å; T298-A300 PolarHBondContact O-N 3.03Å; A300-A303 PolarHBondContact O-N 2.76Å; A300-A304 VanDerWaalsContact O-CB 3.29Å; A300-A304 WeakPolarHBondContact O-CB 3.29Å; A300-A304 PolarHBondContact O-N 3.25Å
301V77.1Confident71.8Confident84 Ų84102.9 Ų102.951%0.50957%0.566SS.*Hα-helixtrans-64.9-44.8176.2172.20000110.8I297 T298 A303 A304 V305I297-V301 HydrophobicContact CG2-CG2 4.4Å; I297-V301 VanDerWaalsContact O-CG2 3.27Å; I297-V301 WeakPolarHBondContact O-CG2 3.48Å; I297-V301 PolarHBondContact O-N 2.89Å; T298-V301 PolarHBondContact O-N 3.45Å; V301-A303 PolarHBondContact O-N 3.05Å; V301-A304 PolarHBondContact O-N 2.94Å; V301-V305 HydrophobicContact CG1-CG2 4.34Å; V301-V305 WeakPolarHBondContact O-CB 3.46Å; V301-V305 VanDerWaalsContact O-CG2 3.26Å; V301-V305 WeakPolarHBondContact O-CG2 3.39Å; V301-V305 PolarHBondContact O-N 3.22Å
302V75.5Confident70.4Confident85 Ų85102.4 Ų102.452%0.51557%0.567SS.*Hα-helixtrans-62.1-44.7177172.90000110.8T298 G299 A304 V305 M306T298-V302 VanDerWaalsContact O-CG2 3.29Å; T298-V302 WeakPolarHBondContact O-CG2 2.91Å; T298-V302 PolarHBondContact O-N 2.78Å; G299-V302 PolarHBondContact O-N 3.17Å; V302-A304 PolarHBondContact O-N 3.14Å; V302-V305 PolarHBondContact O-N 2.99Å; V302-M306 HydrophobicContact CG1-SD 4.21Å; V302-M306 WeakPolarHBondContact O-CB 3.4Å; V302-M306 WeakPolarHBondContact O-CG 3.47Å; V302-M306 PolarHBondContact O-N 2.96Å
303A71.8Confident69Low58 Ų58104.1 Ų104.148%0.47958%0.577SS.*Hα-helixtrans-62-42.8176.300000112.2G299 A300 V301 M306 W307G299-A303 WeakPolarHBondContact O-CB 3.19Å; G299-A303 PolarHBondContact O-N 3.21Å; A300-A303 PolarHBondContact O-N 2.76Å; V301-A303 PolarHBondContact O-N 3.05Å; A303-M306 PolarHBondContact O-N 2.96Å; A303-W307 WeakPolarHBondContact O-CB 3.05Å; A303-W307 PolarHBondContact O-N 2.73Å
304A73.1Confident67.6Low58 Ų58109.5 Ų109.548%0.47959%0.59SS.*Hα-helixtrans-66.1-39.3177.100000112.5A300 V301 V302 W307 R308A300-A304 VanDerWaalsContact O-CB 3.29Å; A300-A304 WeakPolarHBondContact O-CB 3.29Å; A300-A304 PolarHBondContact O-N 3.25Å; V301-A304 PolarHBondContact O-N 2.94Å; V302-A304 PolarHBondContact O-N 3.14Å; A304-W307 PolarHBondContact O-N 2.95Å; A304-R308 PolarHBondContact O-N 2.99Å
305V72.4Confident65.6Low81 Ų81117.7 Ų117.749%0.49162%0.615SS.*Hα-helixtrans-67.2-41.9175.6170.40000111V301 V302 R308 R309V301-V305 HydrophobicContact CG1-CG2 4.34Å; V301-V305 WeakPolarHBondContact O-CB 3.46Å; V301-V305 VanDerWaalsContact O-CG2 3.26Å; V301-V305 WeakPolarHBondContact O-CG2 3.39Å; V301-V305 PolarHBondContact O-N 3.22Å; V302-V305 PolarHBondContact O-N 2.99Å; V305-R308 PolarHBondContact O-N 2.85Å; V305-R309 PolarHBondContact O-N 3.19Å
306M71.9Confident63.6Low132 Ų132118.7 Ų118.765%0.6563%0.631SS**Hα-helixtrans-63.7-40.1174.3-74.4-176.166.900111.9V302 A303 R309 K310V302-M306 HydrophobicContact CG1-SD 4.21Å; V302-M306 WeakPolarHBondContact O-CB 3.4Å; V302-M306 WeakPolarHBondContact O-CG 3.47Å; V302-M306 PolarHBondContact O-N 2.96Å; A303-M306 PolarHBondContact O-N 2.96Å; M306-R309 PolarHBondContact O-N 2.9Å; M306-K310 WeakPolarHBondContact O-CB 2.82Å; M306-K310 PolarHBondContact O-N 2.88Å
307W70.3Confident61.4Low204 Ų204117.8 Ų117.877%0.77364%0.642SS**Hα-helixtrans-62.8-46173.9-165.4-52.8000111.1A303 A304 R309 K310 S311A303-W307 WeakPolarHBondContact O-CB 3.05Å; A303-W307 PolarHBondContact O-N 2.73Å; A304-W307 PolarHBondContact O-N 2.95Å; W307-R309 PolarHBondContact O-N 3.25Å; W307-K310 PolarHBondContact O-N 2.86Å; W307-K310 VanDerWaalsContact O-N 3.14Å; W307-S311 PolarHBondContact O-N 3.14Å; W307-S311 PolarHBondContact O-OG 2.89Å
308R65.2Low59.2Low201 Ų201118.1 Ų118.176%0.75865%0.654SS**Hα-helixtrans-59.5-44.3176.3-93.1-172.7177.9174.30.9112.1A304 V305 K310 S311 S312A304-R308 PolarHBondContact O-N 2.99Å; V305-R308 PolarHBondContact O-N 2.85Å; R308-K310 VanDerWaalsContact C-N 3.31Å; R308-K310 PolarHBondContact O-N 2.73Å; R308-S311 WeakPolarHBondContact CA-OG 3.38Å; R308-S311 PolarHBondContact O-N 3.3Å; R308-S311 PolarHBondContact O-OG 2.96Å; R308-S312 PolarHBondContact O-N 3.18Å; R308-S312 PolarHBondContact O-OG 3.18Å
309R59.3Low57.4Low199 Ų199124.1 Ų124.175%0.75167%0.668SS**Hα-helixtrans-61.8-36.3174.7-99.8-174.4169.1178.3-2.3112.8V305 M306 W307 S312V305-R309 PolarHBondContact O-N 3.19Å; M306-R309 PolarHBondContact O-N 2.9Å; W307-R309 PolarHBondContact O-N 3.25Å; R309-S312 PolarHBondContact O-OG 2.82Å
310K53.7Low55.4Low179 Ų179129 Ų12978%0.77869%0.69SS**Hα-helixtrans-74.2-27.1176.6-165173.2-178.61790112.9M306 W307 R308M306-K310 WeakPolarHBondContact O-CB 2.82Å; M306-K310 PolarHBondContact O-N 2.88Å; W307-K310 PolarHBondContact O-N 2.86Å; W307-K310 VanDerWaalsContact O-N 3.14Å; R308-K310 VanDerWaalsContact C-N 3.31Å; R308-K310 PolarHBondContact O-N 2.73Å
311S51.8Low53.5Low68 Ų68135.4 Ų135.448%0.47671%0.71SS.*Hα-helixtrans-84.8-21.1176.660.20000114.6W307 R308 D313W307-S311 PolarHBondContact O-N 3.14Å; W307-S311 PolarHBondContact O-OG 2.89Å; R308-S311 WeakPolarHBondContact CA-OG 3.38Å; R308-S311 PolarHBondContact O-N 3.3Å; R308-S311 PolarHBondContact O-OG 2.96Å; S311-D313 VanDerWaalsContact C-N 3.34Å
312S50.8Low51.5Low89 Ų89135.3 Ų135.362%0.62272%0.718SS**Hα-helixtrans-78.3-15.6177.755.60000114R308 R309 R314R308-S312 PolarHBondContact O-N 3.18Å; R308-S312 PolarHBondContact O-OG 3.18Å; R309-S312 PolarHBondContact O-OG 2.82Å; S312-R314 PolarHBondContact O-N 3.27Å
313D45.9Very low49.5Very low155 Ų155136.1 Ų136.183%0.82973%0.734SS**THydrogen-bonded Turntrans-83.75.9179.1-122.17.5000113.6S311S311-D313 VanDerWaalsContact C-N 3.34Å
314R46.3Very low47.6Very low218 Ų218138.1 Ų138.182%0.82374%0.744SS**SBendtrans-143.664.6-175.7-152.8178.1-169.9171.33.1112.9S312S312-R314 PolarHBondContact O-N 3.27Å
315K36.9Very low45.8Very low209 Ų209140.8 Ų140.891%0.90976%0.76SS**  trans178.4102.2142.3-102.6166.2179.8-175.90111.3
316G34.8Very low44.1Very low80 Ų80144.3 Ų144.383%0.82578%0.775SS**  trans-86.5149.1154.300000111
317G32.2Very low42.7Very low81 Ų81143.3 Ų143.384%0.83578%0.782SS**  trans99.9106.7143.700000119.9
318S31Very low41.2Very low113 Ų113138.2 Ų138.279%0.7978%0.783SS**  101.4111.7128.9-155.70000121.8
319Y34.6Very low40Very low214 Ų214138.2 Ų138.284%0.83979%0.792SS**  trans10.1137.5142.9-68-88.5000122.6
320T34.2Very low38.8Very low144 Ų144131.7 Ų131.788%0.88379%0.786SS**  -168.7145111.419.20000113.7
321Q35Very low38.2Very low191 Ų191128.6 Ų128.689%0.89379%0.787SS**  trans-71.3163.1171.2-153.3175.4-17.800109.4
322A33.9Very low37.6Very low82 Ų82131.8 Ų131.868%0.67880%0.799SS**  cis-171.4160.537.100000111.8
323A33.9Very low37Very low103 Ų103133.1 Ų133.185%0.85180%0.803SS**  trans50155.8136.800000121.3
324S33.5Very low36.6Very low100 Ų100130.4 Ų130.470%0.69980%0.796SS**  cis174.6140.4-14.1166.50000105.4
325S34.5Very low36.2Very low114 Ų114126.8 Ų126.880%0.79779%0.792SS**  trans169110.5143.237.90000108.3
326D36.9Very low36.3Very low154 Ų154123 Ų12382%0.82479%0.787SS**  74.7113.768.8-101.6-4.6000116.6
327S41.4Very low36.4Very low112 Ų112123.7 Ų123.778%0.78378%0.784SS**  trans167.9103.6132.631.90000108.6
328A38.7Very low36.9Very low96 Ų96125.9 Ų125.979%0.79379%0.786SS**  62.2120.589.700000111.9
329Q40.7Very low37.4Very low202 Ų202130.2 Ų130.294%0.94479%0.79SS**  -177.8154.755.4-112165.2-18.800105
330G34.3Very low37.9Very low62 Ų62129.7 Ų129.764%0.63981%0.809SS**  cis163136.36.500000108.5
331S40.9Very low38.1Very low113 Ų113129 Ų12979%0.7981%0.805SS**  trans69.1148.2140.5-46.10000119.2
332D40Very low38.3Very low136 Ų136125.7 Ų125.773%0.72780%0.8SS**  cis-168.5127.9-10.9-107.4-34000104.4
333V36.5Very low38.5Very low116 Ų116128.1 Ų128.170%0.70381%0.807SS**  76.8123.196.6172.80000116.5
334S37.8Very low38.8Very low98 Ų98129.6 Ų129.669%0.68581%0.805SS**  trans75.2149.1149.1-68.30000119.6
335L38.2Very low39.1Very low142 Ų142131.4 Ų131.474%0.74381%0.811SS**  cis-174.6156.5-1.2-111.4164.6000107.1
336T38.3Very low39.4Very low130 Ų130132.6 Ų132.680%0.79881%0.812SS**  trans66.8149.5153.330.90000118.8
337A38Very low39.6Very low94 Ų94131.1 Ų131.178%0.77781%0.811SS**  cis-158.3158.522.900000112
338C42.3Very low39.4Very low128 Ų128132.5 Ų132.587%0.86581%0.814SS**  trans-85.2144.8155.8-79.20000111.4
339K42Very low39.5Very low204 Ų204135.6 Ų135.689%0.88782%0.815SS**  trans171.7139.4149.7-111.6-178.1174.9172.40106.9
340V44.9Very low39.4Very low202 Ų202129.5 Ų129.5100%1.22480%0.804SS**  cis-141.906.51600000105.9

Retrieved 340 of 340 residues in 121.2 ms (Link to these results)

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