A0A078BRA4_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A078BRA4, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 273 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
1S94.8Very high98.4Very high96 Ų9636.9 Ų36.967%0.67120%0.204SC*.  0162.5038.40000107.3V102S1-V102 WeakPolarHBondContact CA-O 3.49Å; S1-V102 VanDerWaalsContact CB-O 3.3Å; S1-V102 WeakPolarHBondContact CB-O 3.38Å
2H98.2Very high98.4Very high45 Ų4535.3 Ų35.321%0.20820%0.197CC..EExtended strand (participates in β ladder)trans-138.3159.1-179-65.1-76.6000110.9D28 D101 V102 L167 L171H2-D28 VanDerWaalsContact CA-OD1 3.23Å; H2-D28 WeakPolarHBondContact CA-OD1 3.22Å; H2-D28 IonicContact CE1-OD2 3.94Å; H2-D28 IonicContact CG-OD2 3.82Å; H2-D28 IonicContact ND1-OD1 3.87Å; H2-D28 IonicContact ND1-OD2 3.5Å; H2-D28 PolarHBondContact ND1-OD2 2.86Å; H2-D101 CarbonylContact O-C 3.58Å; H2-D101 WeakPolarHBondContact O-CA 3.37Å; H2-V102 HydrophobicContact CB-CG2 4.11Å; H2-V102 PolarHBondContact N-O 2.82Å; H2-V102 PolarHBondContact O-N 3.42Å; H2-L167 HydrophobicContact CB-CD1 4.4Å; H2-L171 HydrophobicContact CB-CD1 3.69Å; H2-L171 HydrophobicContact CB-CD2 3.94Å; H2-L171 HydrophobicContact CB-CG 4.38Å; H2-L171 VanDerWaalsContact CG-CD2 3.45Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.49Å
3S98.6Very high98.2Very high25 Ų2538.1 Ų38.118%0.17520%0.203CC..EExtended strand (participates in β ladder)trans-133.9147.9178.563.70000111V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.54Å; S3-V27 VanDerWaalsContact O-CA 3.3Å; S3-V27 WeakPolarHBondContact O-CA 3.46Å; S3-D28 PolarHBondContact N-OD1 3.18Å; S3-D28 PolarHBondContact O-N 3.48Å; S3-D28 PolarHBondContact OG-OD1 2.71Å; S3-C100 WeakPolarHBondContact CA-O 3.41Å; S3-D101 WeakPolarHBondContact CB-OD1 3.47Å
4M98.9Very high97.9Very high0 Ų039.5 Ų39.50%022%0.215CC..EExtended strand (participates in β ladder)trans-121.3125.8164.9-174.9169.565.900108Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.31Å; M4-Y6 HydrophobicContact CG-CE2 4.27Å; M4-Y6 HydrophobicContact SD-CE2 4.22Å; M4-Y26 CarbonylContact C-O 3.58Å; M4-Y26 WeakPolarHBondContact CA-O 3.17Å; M4-V27 HydrophobicContact CG-CG2 4.35Å; M4-F32 HydrophobicContact CG-CE1 4.44Å; M4-F32 HydrophobicContact SD-CZ 4.37Å; M4-G99 CarbonylContact O-C 3.58Å; M4-G99 WeakPolarHBondContact O-CA 3.21Å; M4-C100 PolarHBondContact N-O 2.88Å; M4-C100 PolarHBondContact O-N 2.99Å; M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 WeakPolarHBondContact CE-O 3.37Å; M4-C163 VanDerWaalsContact CE-SG 3.52Å; M4-W166 HydrophobicContact CE-CB 4.14Å; M4-W166 HydrophobicContact SD-CB 4.5Å; M4-L167 HydrophobicContact CB-CB 4.03Å; M4-L167 HydrophobicContact CB-CD1 3.99Å; M4-L167 HydrophobicContact CB-CD2 4.08Å; M4-L167 HydrophobicContact CB-CG 4.24Å; M4-L167 HydrophobicContact CE-CB 4.43Å; M4-L167 HydrophobicContact SD-CB 4.42Å; M4-Y170 HydrophobicContact SD-CD2 3.71Å; M4-Y170 HydrophobicContact SD-CE2 3.52Å; M4-Y170 VanDerWaalsContact SD-CE2 3.52Å
5R98.8Very high97.7Very high46 Ų4642.7 Ų42.717%0.17426%0.261CS..EExtended strand (participates in β ladder)trans-132.4137.7-177.9-57.6-62.5-179.281.76.1110.9F7 G25 Y26 Y98 D101R5-F7 HydrophobicContact CB-CD2 4.36Å; R5-F7 HydrophobicContact CB-CE2 3.54Å; R5-F7 HydrophobicContact CB-CZ 3.8Å; R5-F7 HydrophobicContact CG-CZ 4.41Å; R5-G25 CarbonylContact O-C 3.59Å; R5-G25 WeakPolarHBondContact O-CA 3.34Å; R5-Y26 PolarHBondContact N-O 2.82Å; R5-Y26 PolarHBondContact O-N 3.38Å; R5-Y98 WeakPolarHBondContact CA-O 3.42Å; R5-D101 IonicContact CZ-OD1 3.98Å; R5-D101 IonicContact NE-OD1 3.36Å; R5-D101 PolarHBondContact NE-OD1 2.65Å; R5-D101 VanDerWaalsContact NH2-CG 3.32Å; R5-D101 IonicContact NH2-OD1 3.6Å; R5-D101 PolarHBondContact NH2-OD1 2.85Å; R5-D101 IonicContact NH2-OD2 3.1Å; R5-D101 PolarHBondContact NH2-OD2 3.38Å; R5-D101 VanDerWaalsContact NH2-OD2 3.08Å
6Y98.9Very high97.5Very high8 Ų853.3 Ų53.33%0.03130%0.295CS..EExtended strand (participates in β ladder)trans-111.4136.9167.5-72.7-92.5000109M4 F8 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.31Å; M4-Y6 HydrophobicContact CG-CE2 4.27Å; M4-Y6 HydrophobicContact SD-CE2 4.22Å; Y6-F8 HydrophobicContact CD1-CE1 4.22Å; Y6-V24 WeakPolarHBondContact CA-O 3.29Å; Y6-F32 HydrophobicContact CE1-CZ 4.17Å; Y6-F32 HydrophobicContact CE2-CZ 4.43Å; Y6-F32 AromaticContact CZ-CZ 3.8Å; Y6-V33 HydrophobicContact CE1-CG2 4.05Å; Y6-M97 WeakPolarHBondContact O-CA 3.22Å; Y6-Y98 AromaticContact CD2-CE2 3.9Å; Y6-Y98 HydrophobicContact CD2-CE2 3.9Å; Y6-Y98 AromaticContact CD2-CZ 3.87Å; Y6-Y98 HydrophobicContact CG-CE1 4.13Å; Y6-Y98 HydrophobicContact CG-CE2 4.28Å; Y6-Y98 AromaticContact CG-CZ 3.78Å; Y6-Y98 PolarHBondContact N-O 2.96Å; Y6-Y98 PolarHBondContact O-N 3.29Å; Y6-Y98 VanDerWaalsContact O-N 3.16Å
7F98.9Very high97.2Very high81 Ų8153.5 Ų53.536%0.35531%0.312SS..EExtended strand (participates in β ladder)trans-123.6118.8178.3-56.9-94.3000108.9R5 A23 V24 Y26 M96 M97R5-F7 HydrophobicContact CB-CD2 4.36Å; R5-F7 HydrophobicContact CB-CE2 3.54Å; R5-F7 HydrophobicContact CB-CZ 3.8Å; R5-F7 HydrophobicContact CG-CZ 4.41Å; F7-A23 WeakPolarHBondContact O-CA 3.31Å; F7-V24 HydrophobicContact CB-CG2 3.86Å; F7-V24 HydrophobicContact CD2-CG2 4.29Å; F7-V24 PolarHBondContact N-O 2.96Å; F7-V24 PolarHBondContact O-N 2.94Å; F7-Y26 HydrophobicContact CD2-CD2 4.04Å; F7-Y26 HydrophobicContact CE2-CD2 4.03Å; F7-Y26 HydrophobicContact CE2-CG 4.49Å; F7-M96 WeakPolarHBondContact CA-O 3.47Å; F7-M97 HydrophobicContact CD1-CB 4.04Å; F7-M97 HydrophobicContact CD1-CG 3.65Å; F7-M97 HydrophobicContact CE1-CB 4.23Å; F7-M97 HydrophobicContact CE1-CG 3.41Å; F7-M97 VanDerWaalsContact CE1-CG 3.41Å; F7-M97 HydrophobicContact CZ-CG 4.11Å
8F98.8Very high97.1Very high7 Ų755.7 Ų55.73%0.03132%0.319CS..EExtended strand (participates in β ladder)trans-112140.2178.2-60.6-10.9000109.7Y6 F21 I22 A23 V66 H69 Q95 M96 Y98Y6-F8 HydrophobicContact CD1-CE1 4.22Å; F8-F21 HydrophobicContact CB-CE2 3.83Å; F8-F21 HydrophobicContact CB-CZ 4.01Å; F8-F21 HydrophobicContact CD1-CZ 4.11Å; F8-F21 HydrophobicContact CD2-CE2 4.11Å; F8-F21 AromaticContact CD2-CZ 3.85Å; F8-F21 HydrophobicContact CD2-CZ 3.85Å; F8-F21 HydrophobicContact CE2-CZ 4.28Å; F8-F21 HydrophobicContact CG-CE2 4.03Å; F8-F21 AromaticContact CG-CZ 3.74Å; F8-F21 HydrophobicContact CG-CZ 3.74Å; F8-I22 CarbonylContact C-O 3.53Å; F8-I22 WeakPolarHBondContact CA-O 3.35Å; F8-A23 HydrophobicContact CD1-CB 3.29Å; F8-A23 HydrophobicContact CE1-CB 3.39Å; F8-A23 HydrophobicContact CG-CB 4.25Å; F8-A23 HydrophobicContact CZ-CB 4.37Å; F8-V66 HydrophobicContact CZ-CG1 4.41Å; F8-H69 AromaticContact CD2-CD2 3.41Å; F8-H69 VanDerWaalsContact CD2-CD2 3.41Å; F8-H69 WeakPolarHBondContact CD2-CD2 3.3Å; F8-H69 AromaticContact CD2-CE1 3.96Å; F8-H69 AromaticContact CD2-CG 3.94Å; F8-H69 AromaticContact CD2-NE2 3.38Å; F8-H69 WeakPolarHBondContact CD2-NE2 3.48Å; F8-H69 HydrophobicContact CE2-CB 4.41Å; F8-H69 AromaticContact CE2-CD2 3.75Å; F8-H69 AromaticContact CE2-CG 3.78Å; F8-H69 AromaticContact CE2-ND1 4Å; F8-H69 AromaticContact CE2-NE2 3.9Å; F8-Q95 CarbonylContact O-C 3.58Å; F8-Q95 VanDerWaalsContact O-CA 3.29Å; F8-Q95 WeakPolarHBondContact O-CA 3.41Å; F8-M96 HydrophobicContact CB-CB 4.29Å; F8-M96 HydrophobicContact CD2-CE 3.29Å; F8-M96 HydrophobicContact CD2-SD 4.48Å; F8-M96 HydrophobicContact CE2-CE 3.46Å; F8-M96 VanDerWaalsContact CE2-CE 3.46Å; F8-M96 HydrophobicContact CG-CE 4.24Å; F8-M96 HydrophobicContact CZ-CE 4.49Å; F8-M96 PolarHBondContact N-O 3.17Å; F8-M96 PolarHBondContact O-N 2.75Å; F8-Y98 HydrophobicContact CD2-CE1 4.27Å; F8-Y98 HydrophobicContact CE1-CE1 4.09Å; F8-Y98 AromaticContact CE2-CE1 3.71Å; F8-Y98 HydrophobicContact CE2-CE1 3.71Å; F8-Y98 AromaticContact CZ-CE1 3.62Å; F8-Y98 HydrophobicContact CZ-CE1 3.62Å; F8-Y98 AromaticContact CZ-CZ 3.94Å; F8-Y98 VanDerWaalsContact CZ-OH 3.31Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.5Å
9T98.9Very high97.1Very high45 Ų4554.2 Ų54.228%0.27631%0.312SS..EExtended strand (participates in β ladder)trans-136.1121.7176.6-56.40000109.4V11 F21 I22 T93 I94 Q95T9-V11 HydrophobicContact CG2-CG2 3.95Å; T9-F21 WeakPolarHBondContact O-CA 3.42Å; T9-I22 PolarHBondContact N-O 2.96Å; T9-I22 PolarHBondContact O-N 3.19Å; T9-T93 HydrophobicContact CG2-CG2 4.01Å; T9-I94 WeakPolarHBondContact CA-O 3.44Å; T9-Q95 HydrophobicContact CG2-CG 4.27Å
10S98.8Very high97.2Very high1 Ų155.9 Ų55.91%0.00731%0.313CS..EExtended strand (participates in β ladder)trans-114.1122.4173.9-85.90000110.7R20 F21 D73 T93 I94S10-R20 CarbonylContact C-O 3.59Å; S10-R20 WeakPolarHBondContact CA-O 3.46Å; S10-F21 VanDerWaalsContact OG-CD2 3.31Å; S10-F21 WeakPolarHBondContact OG-CD2 3.48Å; S10-D73 WeakPolarHBondContact CB-OD2 3.43Å; S10-D73 WeakPolarHBondContact OG-CB 3.42Å; S10-D73 VanDerWaalsContact OG-CG 3.29Å; S10-D73 PolarHBondContact OG-OD2 2.94Å; S10-T93 CarbonylContact O-C 3.59Å; S10-T93 VanDerWaalsContact O-CA 3.27Å; S10-T93 WeakPolarHBondContact O-CA 3.31Å; S10-I94 PolarHBondContact N-O 2.85Å; S10-I94 PolarHBondContact O-N 2.88Å
11V98.6Very high97.2Very high52 Ų5253.3 Ų53.332%0.31530%0.298SS..EExtended strand (participates in β ladder)trans-119.8113.5-179.5-171.60000109.5T9 P19 R20 T93T9-V11 HydrophobicContact CG2-CG2 3.95Å; V11-P19 CarbonylContact O-C 3.51Å; V11-P19 WeakPolarHBondContact O-CA 3.42Å; V11-R20 PolarHBondContact N-O 3.02Å; V11-R20 PolarHBondContact O-N 3.41Å; V11-T93 HydrophobicContact CG2-CG2 4.2Å
12S98.2Very high97.4Very high17 Ų1751 Ų5112%0.11928%0.278CS..  trans-69146.8172.677.60000110.4S91 H92S12-S91 PolarHBondContact O-OG 3.4Å; S12-H92 PolarHBondContact N-O 3.08Å; S12-H92 PolarHBondContact OG-N 3.49Å; S12-H92 PolarHBondContact OG-O 2.77Å
13R96.7Very high97.5Very high72 Ų7249 Ų4927%0.27227%0.268SS..  trans-141.772.4-178.352175.9175.3-162.4-8.7111.3G15 R16 E18 D38R13-G15 PolarHBondContact O-N 3.04Å; R13-R16 HydrophobicContact CB-CB 4.15Å; R13-R16 WeakPolarHBondContact CD-O 3.19Å; R13-R16 HydrophobicContact CG-CB 4.18Å; R13-R16 PolarHBondContact NE-O 2.81Å; R13-R16 WeakPolarHBondContact O-CA 3.38Å; R13-R16 PolarHBondContact O-N 2.96Å; R13-E18 PolarHBondContact NE-O 2.6Å; R13-E18 PolarHBondContact NH2-O 2.86Å; R13-D38 IonicContact CZ-OD1 2.92Å; R13-D38 IonicContact CZ-OD2 2.87Å; R13-D38 IonicContact NH1-OD1 3.06Å; R13-D38 PolarHBondContact NH1-OD1 2.87Å; R13-D38 IonicContact NH1-OD2 3.41Å; R13-D38 PolarHBondContact NH1-OD2 3.4Å; R13-D38 IonicContact NH2-OD1 3.96Å; R13-D38 PolarHBondContact NH2-OD1 3.26Å; R13-D38 IonicContact NH2-OD2 3.13Å
14P94.2Very high97.5Very high58 Ų5849.1 Ų49.138%0.37727%0.269SS..THydrogen-bonded Turntrans-49.6130.9-176.1-26.834.4000112.5R16 E88 G90P14-R16 VanDerWaalsContact C-N 3.26Å; P14-R16 PolarHBondContact O-N 2.92Å; P14-E88 WeakPolarHBondContact CB-O 3.23Å; P14-E88 WeakPolarHBondContact CG-O 3.2Å; P14-G90 VanDerWaalsContact CG-O 3.23Å; P14-G90 WeakPolarHBondContact CG-O 3.42Å
15G93.7Very high97.5Very high88 Ų8849.1 Ų49.191%0.90727%0.269SS*.THydrogen-bonded Turntrans76.21.7-177.100000115.7R13R13-G15 PolarHBondContact O-N 3.04Å
16R94.7Very high97.5Very high211 Ų21150.3 Ų50.380%0.79627%0.273SS*.SBendtrans-12524.9179.1-58.7-174.2-179.1179.31113.5R13 P14R13-R16 HydrophobicContact CB-CB 4.15Å; R13-R16 WeakPolarHBondContact CD-O 3.19Å; R13-R16 HydrophobicContact CG-CB 4.18Å; R13-R16 PolarHBondContact NE-O 2.81Å; R13-R16 WeakPolarHBondContact O-CA 3.38Å; R13-R16 PolarHBondContact O-N 2.96Å; P14-R16 VanDerWaalsContact C-N 3.26Å; P14-R16 PolarHBondContact O-N 2.92Å
17G93.1Very high97.5Very high58 Ų5849.9 Ų49.960%0.59827%0.272SS*.SBendtrans94.9-164.3179.800000113.6
18E94.9Very high97.4Very high93 Ų9347.6 Ų47.644%0.43526%0.263SS..SBendtrans-68.8156.5-179-63.3-57.4160.500112.5R13 R20 R74R13-E18 PolarHBondContact NE-O 2.6Å; R13-E18 PolarHBondContact NH2-O 2.86Å; E18-R20 PolarHBondContact O-N 3.12Å; E18-R74 VanDerWaalsContact CD-NH1 3.34Å; E18-R74 IonicContact OE1-CZ 3.88Å; E18-R74 IonicContact OE1-NE 3.65Å; E18-R74 IonicContact OE1-NH1 3.84Å; E18-R74 PolarHBondContact OE1-NH1 3.12Å; E18-R74 IonicContact OE1-NH2 3.85Å; E18-R74 PolarHBondContact OE1-NH2 2.9Å; E18-R74 WeakPolarHBondContact OE2-CD 3.43Å; E18-R74 IonicContact OE2-CZ 3.62Å; E18-R74 IonicContact OE2-NE 2.82Å; E18-R74 PolarHBondContact OE2-NE 2.7Å; E18-R74 IonicContact OE2-NH1 3.6Å; E18-R74 PolarHBondContact OE2-NH1 2.82Å; E18-R74 IonicContact OE2-NH2 3.53Å; E18-R74 PolarHBondContact OE2-NH2 3.29Å
19P97.5Very high97.4Very high27 Ų2750.4 Ų50.418%0.17528%0.278CS..PPolyproline II helixtrans-51137172.8-25.734.7000112V11 R74 L77V11-P19 CarbonylContact O-C 3.51Å; V11-P19 WeakPolarHBondContact O-CA 3.42Å; P19-R74 HydrophobicContact CG-CB 4.49Å; P19-R74 HydrophobicContact CG-CG 4.28Å; P19-L77 HydrophobicContact CB-CD1 3.53Å; P19-L77 HydrophobicContact CG-CD1 3.6Å
20R98.4Very high97.3Very high87 Ų8749.6 Ų49.633%0.32827%0.273SS..EExtended strand (participates in β ladder)trans-81.8127.9173.5-176.1-177.7-176.4-179.1-1108.7S10 V11 E18 I22 D36 S37 D38S10-R20 CarbonylContact C-O 3.59Å; S10-R20 WeakPolarHBondContact CA-O 3.46Å; V11-R20 PolarHBondContact N-O 3.02Å; V11-R20 PolarHBondContact O-N 3.41Å; E18-R20 PolarHBondContact O-N 3.12Å; R20-I22 HydrophobicContact CG-CG1 4.33Å; R20-D36 IonicContact CZ-OD1 3.56Å; R20-D36 IonicContact CZ-OD2 3.52Å; R20-D36 IonicContact NE-OD1 2.73Å; R20-D36 PolarHBondContact NE-OD1 3.01Å; R20-D36 IonicContact NE-OD2 3.45Å; R20-D36 IonicContact NH2-OD1 3.57Å; R20-D36 PolarHBondContact NH2-OD1 3.33Å; R20-D36 IonicContact NH2-OD2 2.74Å; R20-D36 PolarHBondContact NH2-OD2 2.9Å; R20-S37 WeakPolarHBondContact CA-OG 3.48Å; R20-D38 VanDerWaalsContact CD-OD2 3.26Å; R20-D38 WeakPolarHBondContact CD-OD2 3.42Å; R20-D38 HydrophobicContact CG-CB 4.43Å; R20-D38 IonicContact NE-OD2 3.35Å
21F98.8Very high97.3Very high3 Ų352 Ų521%0.01329%0.285CS..EExtended strand (participates in β ladder)trans-109.9128175.7176.8-91.8000110.1F8 T9 S10 A23 F35 S37 V66 H69 D73F8-F21 HydrophobicContact CB-CE2 3.83Å; F8-F21 HydrophobicContact CB-CZ 4.01Å; F8-F21 HydrophobicContact CD1-CZ 4.11Å; F8-F21 HydrophobicContact CD2-CE2 4.11Å; F8-F21 AromaticContact CD2-CZ 3.85Å; F8-F21 HydrophobicContact CD2-CZ 3.85Å; F8-F21 HydrophobicContact CE2-CZ 4.28Å; F8-F21 HydrophobicContact CG-CE2 4.03Å; F8-F21 AromaticContact CG-CZ 3.74Å; F8-F21 HydrophobicContact CG-CZ 3.74Å; T9-F21 WeakPolarHBondContact O-CA 3.42Å; S10-F21 VanDerWaalsContact OG-CD2 3.31Å; S10-F21 WeakPolarHBondContact OG-CD2 3.48Å; F21-A23 HydrophobicContact CE1-CB 3.62Å; F21-A23 HydrophobicContact CZ-CB 3.85Å; F21-F35 AromaticContact CD1-CD1 3.63Å; F21-F35 HydrophobicContact CD1-CD1 3.63Å; F21-F35 AromaticContact CD1-CE1 3.74Å; F21-F35 HydrophobicContact CD1-CE1 3.74Å; F21-F35 AromaticContact CE1-CD1 3.91Å; F21-F35 HydrophobicContact CE1-CD1 3.91Å; F21-F35 HydrophobicContact CE1-CE1 4.32Å; F21-S37 PolarHBondContact N-OG 3.21Å; F21-S37 PolarHBondContact O-N 2.96Å; F21-S37 PolarHBondContact O-OG 3.25Å; F21-V66 HydrophobicContact CE1-CB 4.02Å; F21-H69 AromaticContact CE2-CD2 3.59Å; F21-H69 HydrophobicContact CZ-CB 4.48Å; F21-H69 AromaticContact CZ-CD2 3.94Å; F21-D73 WeakPolarHBondContact CD2-OD2 3.38Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.39Å
22I98.8Very high97.3Very high48 Ų4849.6 Ų49.625%0.24627%0.27CS..EExtended strand (participates in β ladder)trans-124.8132.5174.2-58.5174.6000107.8F8 T9 R20 V24 F35F8-I22 CarbonylContact C-O 3.53Å; F8-I22 WeakPolarHBondContact CA-O 3.35Å; T9-I22 PolarHBondContact N-O 2.96Å; T9-I22 PolarHBondContact O-N 3.19Å; R20-I22 HydrophobicContact CG-CG1 4.33Å; I22-V24 HydrophobicContact CG2-CG1 4.45Å; I22-F35 WeakPolarHBondContact CA-O 3.2Å
23A98.8Very high97.4Very high1 Ų148.8 Ų48.81%0.00826%0.264CS..EExtended strand (participates in β ladder)trans-124.8138.2171.700000110.3F7 F8 F21 R34 F35 V66F7-A23 WeakPolarHBondContact O-CA 3.31Å; F8-A23 HydrophobicContact CD1-CB 3.29Å; F8-A23 HydrophobicContact CE1-CB 3.39Å; F8-A23 HydrophobicContact CG-CB 4.25Å; F8-A23 HydrophobicContact CZ-CB 4.37Å; F21-A23 HydrophobicContact CE1-CB 3.62Å; F21-A23 HydrophobicContact CZ-CB 3.85Å; A23-R34 CarbonylContact O-C 3.57Å; A23-R34 VanDerWaalsContact O-CA 3.31Å; A23-R34 WeakPolarHBondContact O-CA 3.4Å; A23-F35 HydrophobicContact CB-CB 4.26Å; A23-F35 PolarHBondContact N-O 3.02Å; A23-F35 PolarHBondContact O-N 3.15Å; A23-V66 HydrophobicContact CB-CG1 4.21Å
24V98.9Very high97.4Very high29 Ų2949.5 Ų49.518%0.17627%0.267CS..EExtended strand (participates in β ladder)trans-134.3143.1172.5-62.90000110.1Y6 F7 I22 Y26 Q31 V33 R34Y6-V24 WeakPolarHBondContact CA-O 3.29Å; F7-V24 HydrophobicContact CB-CG2 3.86Å; F7-V24 HydrophobicContact CD2-CG2 4.29Å; F7-V24 PolarHBondContact N-O 2.96Å; F7-V24 PolarHBondContact O-N 2.94Å; I22-V24 HydrophobicContact CG2-CG1 4.45Å; V24-Y26 HydrophobicContact CB-CE2 4.12Å; V24-Y26 HydrophobicContact CG2-CD2 4.3Å; V24-Y26 HydrophobicContact CG2-CE2 3.81Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.27Å; V24-V33 WeakPolarHBondContact CA-O 3.37Å; V24-R34 HydrophobicContact CG1-CB 4.41Å; V24-R34 HydrophobicContact CG1-CG 4.21Å
25G98.8Very high97.7Very high0 Ų046.8 Ų46.80%025%0.249CC..EExtended strand (participates in β ladder)trans-117.1138.5176.200000110.7R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.59Å; R5-G25 WeakPolarHBondContact O-CA 3.34Å; G25-Q31 WeakPolarHBondContact O-CA 3.46Å; G25-F32 WeakPolarHBondContact O-CD1 3.43Å; G25-F32 PolarHBondContact O-N 2.88Å; G25-V33 PolarHBondContact N-O 2.95Å; G25-V33 VanDerWaalsContact N-O 3.15Å
26Y98.9Very high97.9Very high70 Ų7043.3 Ų43.328%0.27521%0.21SC..EExtended strand (participates in β ladder)trans-125.7141.4178.3-78.1-102.3000110.7M4 R5 F7 V24 T30 Q31M4-Y26 CarbonylContact C-O 3.58Å; M4-Y26 WeakPolarHBondContact CA-O 3.17Å; R5-Y26 PolarHBondContact N-O 2.82Å; R5-Y26 PolarHBondContact O-N 3.38Å; F7-Y26 HydrophobicContact CD2-CD2 4.04Å; F7-Y26 HydrophobicContact CE2-CD2 4.03Å; F7-Y26 HydrophobicContact CE2-CG 4.49Å; V24-Y26 HydrophobicContact CB-CE2 4.12Å; V24-Y26 HydrophobicContact CG2-CD2 4.3Å; V24-Y26 HydrophobicContact CG2-CE2 3.81Å; Y26-T30 WeakPolarHBondContact CA-O 3.06Å; Y26-T30 VanDerWaalsContact CD1-C 3.47Å; Y26-Q31 HydrophobicContact CD1-CB 4.09Å; Y26-Q31 VanDerWaalsContact CD1-N 3.33Å; Y26-Q31 HydrophobicContact CD2-CB 4.49Å; Y26-Q31 HydrophobicContact CD2-CG 4.39Å; Y26-Q31 HydrophobicContact CE1-CB 3.59Å; Y26-Q31 HydrophobicContact CE1-CG 4.37Å; Y26-Q31 HydrophobicContact CE2-CB 4.03Å; Y26-Q31 HydrophobicContact CE2-CG 3.89Å
27V98.8Very high98.1Very high0 Ų034 Ų340%018%0.178CC..EExtended strand (participates in β ladder)trans-109.8118.7155.81770000106.1S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.54Å; S3-V27 VanDerWaalsContact O-CA 3.3Å; S3-V27 WeakPolarHBondContact O-CA 3.46Å; M4-V27 HydrophobicContact CG-CG2 4.35Å; V27-D29 PolarHBondContact O-N 3Å; V27-T30 PolarHBondContact N-O 2.85Å; V27-T30 WeakPolarHBondContact O-CB 3.33Å; V27-T30 PolarHBondContact O-N 2.8Å; V27-F32 HydrophobicContact CG2-CD1 4.07Å; V27-F32 HydrophobicContact CG2-CE1 4.11Å; V27-W50 HydrophobicContact CB-CH2 4.49Å; V27-W50 HydrophobicContact CB-CZ2 4.5Å; V27-W50 HydrophobicContact CG2-CH2 3.9Å; V27-W50 HydrophobicContact CG2-CZ2 4.38Å; V27-L167 HydrophobicContact CG1-CD1 3.61Å; V27-L167 HydrophobicContact CG2-CD1 4.21Å; V27-Y170 HydrophobicContact CG2-CD2 3.95Å; V27-Y170 HydrophobicContact CG2-CG 4.5Å; V27-L171 HydrophobicContact CG1-CD2 4.07Å; V27-L178 HydrophobicContact CB-CD1 4.28Å; V27-L178 HydrophobicContact CB-CD2 4.07Å; V27-L178 HydrophobicContact CG1-CD1 3.94Å; V27-L178 HydrophobicContact CG1-CD2 4.04Å; V27-L178 HydrophobicContact CG1-CG 4.48Å
28D98Very high98.3Very high32 Ų3234.8 Ų34.817%0.17117%0.168CC..THydrogen-bonded Turntrans47.4-126.3-167.2-54-42.8000110.9H2 S3 T30H2-D28 VanDerWaalsContact CA-OD1 3.23Å; H2-D28 WeakPolarHBondContact CA-OD1 3.22Å; H2-D28 IonicContact CE1-OD2 3.94Å; H2-D28 IonicContact CG-OD2 3.82Å; H2-D28 IonicContact ND1-OD1 3.87Å; H2-D28 IonicContact ND1-OD2 3.5Å; H2-D28 PolarHBondContact ND1-OD2 2.86Å; S3-D28 PolarHBondContact N-OD1 3.18Å; S3-D28 PolarHBondContact O-N 3.48Å; S3-D28 PolarHBondContact OG-OD1 2.71Å; D28-T30 VanDerWaalsContact C-N 3.29Å; D28-T30 PolarHBondContact O-N 2.9Å
29D97.8Very high98.4Very high66 Ų6631.8 Ų31.835%0.35316%0.159SC..THydrogen-bonded Turntrans-89.914.7179.2-64.8-51.1000113.6V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 3Å; D29-Y208 HydrophobicContact CB-CE2 3.84Å; D29-P209 WeakPolarHBondContact OD2-CB 3.41Å; D29-A210 WeakPolarHBondContact OD2-CB 3.23Å; D29-A210 PolarHBondContact OD2-N 2.88Å; D29-F240 HydrophobicContact CB-CE2 3.78Å; D29-F240 HydrophobicContact CB-CZ 3.77Å
30T98.1Very high98.3Very high28 Ų2836 Ų3617%0.17220%0.196CC..EExtended strand (participates in β ladder)trans-112.7112.6-176.9-61.50000112.1Y26 V27 D28 F32 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.06Å; Y26-T30 VanDerWaalsContact CD1-C 3.47Å; V27-T30 PolarHBondContact N-O 2.85Å; V27-T30 WeakPolarHBondContact O-CB 3.33Å; V27-T30 PolarHBondContact O-N 2.8Å; D28-T30 VanDerWaalsContact C-N 3.29Å; D28-T30 PolarHBondContact O-N 2.9Å; T30-F32 PolarHBondContact O-N 3.05Å; T30-L178 HydrophobicContact CG2-CD2 4.02Å; T30-Y208 PolarHBondContact OG1-OH 3.44Å; T30-Y208 VanDerWaalsContact OG1-OH 3.12Å
31Q98.4Very high98Very high53 Ų5334.9 Ų34.925%0.24820%0.201CC..EExtended strand (participates in β ladder)trans-67.2129.9172.5-167.9178.8-2.100110.3V24 G25 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.27Å; G25-Q31 WeakPolarHBondContact O-CA 3.46Å; Y26-Q31 HydrophobicContact CD1-CB 4.09Å; Y26-Q31 VanDerWaalsContact CD1-N 3.33Å; Y26-Q31 HydrophobicContact CD2-CB 4.49Å; Y26-Q31 HydrophobicContact CD2-CG 4.39Å; Y26-Q31 HydrophobicContact CE1-CB 3.59Å; Y26-Q31 HydrophobicContact CE1-CG 4.37Å; Y26-Q31 HydrophobicContact CE2-CB 4.03Å; Y26-Q31 HydrophobicContact CE2-CG 3.89Å; Q31-V33 PolarHBondContact NE2-O 2.98Å; Q31-V33 VanDerWaalsContact NE2-O 3.15Å; Q31-R47 HydrophobicContact CG-CB 4.14Å; Q31-R47 HydrophobicContact CG-CG 4.38Å
32F98.6Very high97.9Very high0 Ų038.6 Ų38.60%022%0.219CC..EExtended strand (participates in β ladder)trans-119.5-22.6-179.874.7-84000114.4M4 Y6 G25 V27 T30 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.44Å; M4-F32 HydrophobicContact SD-CZ 4.37Å; Y6-F32 HydrophobicContact CE1-CZ 4.17Å; Y6-F32 HydrophobicContact CE2-CZ 4.43Å; Y6-F32 AromaticContact CZ-CZ 3.8Å; G25-F32 WeakPolarHBondContact O-CD1 3.43Å; G25-F32 PolarHBondContact O-N 2.88Å; V27-F32 HydrophobicContact CG2-CD1 4.07Å; V27-F32 HydrophobicContact CG2-CE1 4.11Å; T30-F32 PolarHBondContact O-N 3.05Å; F32-R47 PolarHBondContact O-N 3.23Å; F32-A48 HydrophobicContact CB-CB 4.07Å; F32-W50 HydrophobicContact CB-CH2 3.15Å; F32-W50 HydrophobicContact CB-CZ2 3.31Å; F32-W50 HydrophobicContact CB-CZ3 4.01Å; F32-W50 HydrophobicContact CD1-CH2 4.01Å; F32-W50 AromaticContact CD2-CH2 3.75Å; F32-W50 HydrophobicContact CD2-CH2 3.75Å; F32-W50 HydrophobicContact CD2-CZ3 4.06Å; F32-W50 AromaticContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CZ2 4.03Å; F32-W50 HydrophobicContact CG-CZ3 4.17Å; F32-I51 HydrophobicContact CD2-CB 4.41Å; F32-I51 HydrophobicContact CD2-CD1 4Å; F32-I51 HydrophobicContact CD2-CG1 4.03Å; F32-I51 HydrophobicContact CE2-CD1 4.31Å; F32-I51 VanDerWaalsContact O-CG2 3.3Å; F32-I51 WeakPolarHBondContact O-CG2 3.32Å; F32-Y170 HydrophobicContact CD2-CE2 4.49Å; F32-Y170 HydrophobicContact CE2-CD2 4.37Å; F32-Y170 AromaticContact CE2-CE2 3.71Å; F32-Y170 HydrophobicContact CE2-CE2 3.71Å; F32-Y170 HydrophobicContact CZ-CD2 4.4Å; F32-Y170 AromaticContact CZ-CE2 3.85Å; F32-Y170 HydrophobicContact CZ-CE2 3.85Å
33V98.8Very high97.8Very high0 Ų043.4 Ų43.40%023%0.234CC..EExtended strand (participates in β ladder)trans-141.1156.9176.7-71.80000113.2Y6 V24 G25 Q31 M44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 4.05Å; V24-V33 WeakPolarHBondContact CA-O 3.37Å; G25-V33 PolarHBondContact N-O 2.95Å; G25-V33 VanDerWaalsContact N-O 3.15Å; Q31-V33 PolarHBondContact NE2-O 2.98Å; Q31-V33 VanDerWaalsContact NE2-O 3.15Å; V33-M44 HydrophobicContact CB-CG 4.09Å; V33-M44 HydrophobicContact CB-SD 3.66Å; V33-M44 HydrophobicContact CG1-CG 4.17Å; V33-M44 HydrophobicContact CG1-SD 4.39Å; V33-M44 HydrophobicContact CG2-SD 4.04Å; V33-E45 VanDerWaalsContact CA-O 3.3Å; V33-E45 WeakPolarHBondContact CA-O 3.32Å; V33-I51 HydrophobicContact CG1-CG1 4.36Å; V33-W59 HydrophobicContact CG1-CH2 4.01Å; V33-W59 HydrophobicContact CG1-CZ3 3.83Å
34R98.6Very high97.8Very high87 Ų8743.8 Ų43.833%0.32824%0.236SC..EExtended strand (participates in β ladder)trans-145.9142.7171.7178.4173.8169.7-178.4-4.1111.7A23 V24 D36 E45 R47A23-R34 CarbonylContact O-C 3.57Å; A23-R34 VanDerWaalsContact O-CA 3.31Å; A23-R34 WeakPolarHBondContact O-CA 3.4Å; V24-R34 HydrophobicContact CG1-CB 4.41Å; V24-R34 HydrophobicContact CG1-CG 4.21Å; R34-D36 IonicContact CZ-OD2 2.7Å; R34-D36 IonicContact NH2-OD2 3.56Å; R34-D36 PolarHBondContact NH2-OD2 3.26Å; R34-E45 PolarHBondContact N-O 3.19Å; R34-E45 PolarHBondContact O-N 2.81Å; R34-R47 HydrophobicContact CB-CG 3.97Å
35F98.8Very high97.8Very high2 Ų245.1 Ų45.11%0.00924%0.24CC..EExtended strand (participates in β ladder)trans-127.9146.1163.1176.3-84.7000109.9F21 I22 A23 Q42 R43 M44 V66 K67F21-F35 AromaticContact CD1-CD1 3.63Å; F21-F35 HydrophobicContact CD1-CD1 3.63Å; F21-F35 AromaticContact CD1-CE1 3.74Å; F21-F35 HydrophobicContact CD1-CE1 3.74Å; F21-F35 AromaticContact CE1-CD1 3.91Å; F21-F35 HydrophobicContact CE1-CD1 3.91Å; F21-F35 HydrophobicContact CE1-CE1 4.32Å; I22-F35 WeakPolarHBondContact CA-O 3.2Å; A23-F35 HydrophobicContact CB-CB 4.26Å; A23-F35 PolarHBondContact N-O 3.02Å; A23-F35 PolarHBondContact O-N 3.15Å; F35-Q42 VanDerWaalsContact CE2-C 3.48Å; F35-Q42 HydrophobicContact CE2-CB 4.2Å; F35-Q42 WeakPolarHBondContact CE2-O 3.41Å; F35-Q42 HydrophobicContact CZ-CB 4.21Å; F35-R43 WeakPolarHBondContact CD2-O 3.48Å; F35-M44 HydrophobicContact CB-CE 4.24Å; F35-M44 HydrophobicContact CB-SD 3.98Å; F35-V66 HydrophobicContact CB-CB 4.47Å; F35-V66 HydrophobicContact CB-CG2 3.94Å; F35-V66 HydrophobicContact CD1-CB 4.38Å; F35-V66 HydrophobicContact CD1-CG2 4.02Å; F35-V66 HydrophobicContact CD2-CB 4.44Å; F35-V66 HydrophobicContact CD2-CG2 3.3Å; F35-V66 HydrophobicContact CE1-CG2 4.37Å; F35-V66 HydrophobicContact CE2-CG2 3.7Å; F35-V66 HydrophobicContact CG-CB 4.19Å; F35-V66 HydrophobicContact CG-CG2 3.48Å; F35-V66 VanDerWaalsContact CG-CG2 3.48Å; F35-V66 HydrophobicContact CZ-CG2 4.22Å; F35-K67 HydrophobicContact CE2-CG 4.05Å; F35-K67 HydrophobicContact CZ-CG 3.91Å
36D98.6Very high97.8Very high14 Ų1447.2 Ų47.28%0.07525%0.254CS..EExtended strand (participates in β ladder)trans-142120175.5-165.7-26.2000109.2R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.56Å; R20-D36 IonicContact CZ-OD2 3.52Å; R20-D36 IonicContact NE-OD1 2.73Å; R20-D36 PolarHBondContact NE-OD1 3.01Å; R20-D36 IonicContact NE-OD2 3.45Å; R20-D36 IonicContact NH2-OD1 3.57Å; R20-D36 PolarHBondContact NH2-OD1 3.33Å; R20-D36 IonicContact NH2-OD2 2.74Å; R20-D36 PolarHBondContact NH2-OD2 2.9Å; R34-D36 IonicContact CZ-OD2 2.7Å; R34-D36 IonicContact NH2-OD2 3.56Å; R34-D36 PolarHBondContact NH2-OD2 3.26Å; D36-D38 PolarHBondContact O-N 2.98Å; D36-D38 PolarHBondContact OD1-N 2.7Å; D36-D38 VanDerWaalsContact OD1-N 3.12Å; D36-A39 HydrophobicContact CB-CB 4.19Å; D36-A39 WeakPolarHBondContact O-CB 3.38Å; D36-A39 PolarHBondContact O-N 2.85Å; D36-A39 VanDerWaalsContact O-N 3.09Å
37S98.3Very high97.7Very high17 Ų1748.8 Ų48.812%0.11926%0.259CS..THydrogen-bonded Turntrans-65.6-20.8-179.367.90000112.9R20 F21 Q42R20-S37 WeakPolarHBondContact CA-OG 3.48Å; F21-S37 PolarHBondContact N-OG 3.21Å; F21-S37 PolarHBondContact O-N 2.96Å; F21-S37 PolarHBondContact O-OG 3.25Å; S37-Q42 PolarHBondContact O-NE2 3.44Å
38D97.7Very high97.7Very high73 Ų7349.1 Ų49.139%0.3926%0.262SS..THydrogen-bonded Turntrans-87.6-5.2177.4-76.13.3000112.6R13 R20 D36R13-D38 IonicContact CZ-OD1 2.92Å; R13-D38 IonicContact CZ-OD2 2.87Å; R13-D38 IonicContact NH1-OD1 3.06Å; R13-D38 PolarHBondContact NH1-OD1 2.87Å; R13-D38 IonicContact NH1-OD2 3.41Å; R13-D38 PolarHBondContact NH1-OD2 3.4Å; R13-D38 IonicContact NH2-OD1 3.96Å; R13-D38 PolarHBondContact NH2-OD1 3.26Å; R13-D38 IonicContact NH2-OD2 3.13Å; R20-D38 VanDerWaalsContact CD-OD2 3.26Å; R20-D38 WeakPolarHBondContact CD-OD2 3.42Å; R20-D38 HydrophobicContact CG-CB 4.43Å; R20-D38 IonicContact NE-OD2 3.35Å; D36-D38 PolarHBondContact O-N 2.98Å; D36-D38 PolarHBondContact OD1-N 2.7Å; D36-D38 VanDerWaalsContact OD1-N 3.12Å
39A96.9Very high97.6Very high31 Ų3152.5 Ų52.526%0.25629%0.286SS..SBendtrans-70.5148.4175.100000111.4D36 S41 Q42D36-A39 HydrophobicContact CB-CB 4.19Å; D36-A39 WeakPolarHBondContact O-CB 3.38Å; D36-A39 PolarHBondContact O-N 2.85Å; D36-A39 VanDerWaalsContact O-N 3.09Å; A39-S41 VanDerWaalsContact C-N 3.33Å; A39-S41 PolarHBondContact O-N 2.8Å; A39-Q42 WeakPolarHBondContact O-CG 3.49Å; A39-Q42 PolarHBondContact O-N 2.8Å
40A95.7Very high97.6Very high116 Ų11650.1 Ų50.196%0.95927%0.272SS*.SBendtrans-62.7-35.8-177.600000113.9
41S91.6Very high97.6Very high62 Ų6248.8 Ų48.843%0.43426%0.264SS..SBendtrans-89.1-21.6-178.657.10000113.3A39 R43A39-S41 VanDerWaalsContact C-N 3.33Å; A39-S41 PolarHBondContact O-N 2.8Å; S41-R43 PolarHBondContact O-N 3.05Å
42Q96.3Very high97.6Very high82 Ų8252.2 Ų52.238%0.38328%0.28SS..  trans39.861.8-173.2-59.3-178-16.100112.2F35 S37 A39 K67F35-Q42 VanDerWaalsContact CE2-C 3.48Å; F35-Q42 HydrophobicContact CE2-CB 4.2Å; F35-Q42 WeakPolarHBondContact CE2-O 3.41Å; F35-Q42 HydrophobicContact CZ-CB 4.21Å; S37-Q42 PolarHBondContact O-NE2 3.44Å; A39-Q42 WeakPolarHBondContact O-CG 3.49Å; A39-Q42 PolarHBondContact O-N 2.8Å; Q42-K67 WeakPolarHBondContact O-CE 3.41Å; Q42-K67 PolarHBondContact O-NZ 3.18Å
43R98.1Very high97.5Very high149 Ų14957.8 Ų57.856%0.56231%0.306SS*.  trans-124.5156.4177.1-72-173.1174.2-169.3-7.5110.7F35 S41 E45 T63F35-R43 WeakPolarHBondContact CD2-O 3.48Å; S41-R43 PolarHBondContact O-N 3.05Å; R43-E45 PolarHBondContact O-N 2.98Å; R43-T63 HydrophobicContact CB-CG2 4.47Å; R43-T63 HydrophobicContact CG-CG2 4.26Å
44M98.4Very high97.4Very high8 Ų858.5 Ų58.54%0.03931%0.309CS..  trans-68.6126.6164.5-17263.983.100107.9V33 F35 W59 E62 T63 V66V33-M44 HydrophobicContact CB-CG 4.09Å; V33-M44 HydrophobicContact CB-SD 3.66Å; V33-M44 HydrophobicContact CG1-CG 4.17Å; V33-M44 HydrophobicContact CG1-SD 4.39Å; V33-M44 HydrophobicContact CG2-SD 4.04Å; F35-M44 HydrophobicContact CB-CE 4.24Å; F35-M44 HydrophobicContact CB-SD 3.98Å; M44-W59 HydrophobicContact CB-CE3 4.24Å; M44-W59 HydrophobicContact CG-CE3 4.14Å; M44-W59 HydrophobicContact CG-CZ3 3.96Å; M44-E62 HydrophobicContact CB-CB 4.1Å; M44-E62 HydrophobicContact CE-CB 4.45Å; M44-E62 HydrophobicContact CG-CB 4.09Å; M44-T63 PolarHBondContact N-OG1 2.89Å; M44-V66 HydrophobicContact CE-CB 4.4Å; M44-V66 HydrophobicContact CE-CG1 3.37Å; M44-V66 HydrophobicContact CE-CG2 4.24Å
45E98.4Very high97.4Very high57 Ų5755.7 Ų55.727%0.26631%0.307SS..EExtended strand (participates in β ladder)trans-116.2141.3-174.6-64.4179.4170.400110.9V33 R34 R43 R47V33-E45 VanDerWaalsContact CA-O 3.3Å; V33-E45 WeakPolarHBondContact CA-O 3.32Å; R34-E45 PolarHBondContact N-O 3.19Å; R34-E45 PolarHBondContact O-N 2.81Å; R43-E45 PolarHBondContact O-N 2.98Å; E45-R47 IonicContact OE2-CZ 2.81Å; E45-R47 VanDerWaalsContact OE2-CZ 3.28Å; E45-R47 IonicContact OE2-NH1 3.69Å; E45-R47 PolarHBondContact OE2-NH1 3.19Å; E45-R47 VanDerWaalsContact OE2-NH1 3.1Å; E45-R47 IonicContact OE2-NH2 2.64Å; E45-R47 PolarHBondContact OE2-NH2 3.08Å
46P98.4Very high97.3Very high45 Ų4559.9 Ų59.929%0.29233%0.334SS..EExtended strand (participates in β ladder)trans-66.5147.1172.628.6-34.2000111.3I51 E52 W59P46-I51 HydrophobicContact CB-CG2 3.76Å; P46-E52 HydrophobicContact CB-CG 3.83Å; P46-E52 HydrophobicContact CG-CG 4.14Å; P46-W59 HydrophobicContact CB-CH2 3.65Å; P46-W59 HydrophobicContact CB-CZ2 4Å; P46-W59 HydrophobicContact CG-CH2 4.27Å; P46-W59 HydrophobicContact CG-CZ2 4.42Å
47R98.1Very high97.3Very high103 Ų10366.1 Ų66.139%0.38936%0.363SS..  trans-131.7-2.4173.7-63.5-64.1-179-113.55.3113.5Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.14Å; Q31-R47 HydrophobicContact CG-CG 4.38Å; F32-R47 PolarHBondContact O-N 3.23Å; R34-R47 HydrophobicContact CB-CG 3.97Å; E45-R47 IonicContact OE2-CZ 2.81Å; E45-R47 VanDerWaalsContact OE2-CZ 3.28Å; E45-R47 IonicContact OE2-NH1 3.69Å; E45-R47 PolarHBondContact OE2-NH1 3.19Å; E45-R47 VanDerWaalsContact OE2-NH1 3.1Å; E45-R47 IonicContact OE2-NH2 2.64Å; E45-R47 PolarHBondContact OE2-NH2 3.08Å
48A97.3Very high97.3Very high6 Ų666.1 Ų66.15%0.0536%0.361CS..SBendtrans-135.6144.8172.700000110.9F32 W50 I51F32-A48 HydrophobicContact CB-CB 4.07Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.21Å; A48-W50 HydrophobicContact CB-CG 4.39Å; A48-W50 HydrophobicContact CB-CZ2 4.05Å; A48-W50 PolarHBondContact O-N 2.89Å; A48-I51 WeakPolarHBondContact O-CG2 3.19Å; A48-I51 PolarHBondContact O-N 3.29Å
49P97.4Very high97.3Very high104 Ų10464.6 Ų64.668%0.67535%0.35SS*.G310 helixtrans-59.5-37-176.9-26.334.9000113.9I51 E52P49-I51 PolarHBondContact O-N 3.27Å; P49-E52 WeakPolarHBondContact O-CB 3.3Å; P49-E52 PolarHBondContact O-N 3.32Å; P49-E52 VanDerWaalsContact O-N 3.13Å
50W97.4Very high97.4Very high16 Ų1667.1 Ų67.16%0.06136%0.359CS..G310 helixtrans-70.3-14.6-175.153.7-105.8000114.4V27 F32 A48 Q53 Y170 L178V27-W50 HydrophobicContact CB-CH2 4.49Å; V27-W50 HydrophobicContact CB-CZ2 4.5Å; V27-W50 HydrophobicContact CG2-CH2 3.9Å; V27-W50 HydrophobicContact CG2-CZ2 4.38Å; F32-W50 HydrophobicContact CB-CH2 3.15Å; F32-W50 HydrophobicContact CB-CZ2 3.31Å; F32-W50 HydrophobicContact CB-CZ3 4.01Å; F32-W50 HydrophobicContact CD1-CH2 4.01Å; F32-W50 AromaticContact CD2-CH2 3.75Å; F32-W50 HydrophobicContact CD2-CH2 3.75Å; F32-W50 HydrophobicContact CD2-CZ3 4.06Å; F32-W50 AromaticContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CZ2 4.03Å; F32-W50 HydrophobicContact CG-CZ3 4.17Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.21Å; A48-W50 HydrophobicContact CB-CG 4.39Å; A48-W50 HydrophobicContact CB-CZ2 4.05Å; A48-W50 PolarHBondContact O-N 2.89Å; W50-Q53 WeakPolarHBondContact O-CG 3.28Å; W50-Q53 PolarHBondContact O-NE2 2.98Å; W50-Y170 HydrophobicContact CE3-CD1 4.32Å; W50-Y170 HydrophobicContact CE3-CG 4.46Å; W50-Y170 HydrophobicContact CH2-CD2 4.36Å; W50-Y170 HydrophobicContact CH2-CG 4.07Å; W50-Y170 AromaticContact CZ3-CD1 3.64Å; W50-Y170 HydrophobicContact CZ3-CD1 3.64Å; W50-Y170 HydrophobicContact CZ3-CD2 4.18Å; W50-Y170 HydrophobicContact CZ3-CE1 4.36Å; W50-Y170 AromaticContact CZ3-CG 3.54Å; W50-Y170 HydrophobicContact CZ3-CG 3.54Å; W50-L178 HydrophobicContact CD2-CD1 4.35Å; W50-L178 HydrophobicContact CH2-CD1 4.34Å; W50-L178 HydrophobicContact CZ2-CD1 3.79Å; W50-L178 HydrophobicContact CZ2-CD2 4.09Å; W50-L178 HydrophobicContact CZ2-CG 4.37Å
51I98.3Very high97.5Very high0 Ų065.1 Ų65.10%033%0.33CS..G310 helixtrans-89.2-18.6174-162.972000111.9F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CD2-CB 4.41Å; F32-I51 HydrophobicContact CD2-CD1 4Å; F32-I51 HydrophobicContact CD2-CG1 4.03Å; F32-I51 HydrophobicContact CE2-CD1 4.31Å; F32-I51 VanDerWaalsContact O-CG2 3.3Å; F32-I51 WeakPolarHBondContact O-CG2 3.32Å; V33-I51 HydrophobicContact CG1-CG1 4.36Å; P46-I51 HydrophobicContact CB-CG2 3.76Å; A48-I51 WeakPolarHBondContact O-CG2 3.19Å; A48-I51 PolarHBondContact O-N 3.29Å; P49-I51 PolarHBondContact O-N 3.27Å; I51-Q53 PolarHBondContact O-N 3.2Å; I51-Q53 VanDerWaalsContact O-N 3.14Å; I51-E54 HydrophobicContact CD1-CG 3.65Å; I51-E54 HydrophobicContact CG1-CG 4.17Å; I51-E54 WeakPolarHBondContact O-CB 3.18Å; I51-E54 WeakPolarHBondContact O-CG 3.46Å; I51-E54 PolarHBondContact O-N 3.22Å; I51-Y58 HydrophobicContact CD1-CE1 4.16Å; I51-Y58 HydrophobicContact CG1-CE1 4.15Å; I51-W59 HydrophobicContact CB-CH2 4.47Å; I51-W59 HydrophobicContact CG1-CH2 3.79Å; I51-W59 HydrophobicContact CG1-CZ2 4.02Å; I51-W59 HydrophobicContact CG2-CH2 3.95Å; I51-W59 HydrophobicContact CG2-CZ2 4.31Å; I51-W59 WeakPolarHBondContact O-CZ2 3.4Å; I51-Y170 HydrophobicContact CD1-CD1 3.88Å; I51-Y170 HydrophobicContact CD1-CE1 3.28Å
52E97.3Very high97.8Very high125 Ų12563.6 Ų63.658%0.58432%0.315SS*.THydrogen-bonded Turntrans-64.6-21.8-176.8-64.9-178.4-173.900113.5P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.83Å; P46-E52 HydrophobicContact CG-CG 4.14Å; P49-E52 WeakPolarHBondContact O-CB 3.3Å; P49-E52 PolarHBondContact O-N 3.32Å; P49-E52 VanDerWaalsContact O-N 3.13Å; E52-E54 PolarHBondContact O-N 2.66Å
53Q96.6Very high98Very high117 Ų11760.3 Ų60.355%0.54730%0.301SS..THydrogen-bonded Turntrans-72.3-12.9175.670.2-172.6-34.400113.9W50 I51 N173W50-Q53 WeakPolarHBondContact O-CG 3.28Å; W50-Q53 PolarHBondContact O-NE2 2.98Å; I51-Q53 PolarHBondContact O-N 3.2Å; I51-Q53 VanDerWaalsContact O-N 3.14Å; Q53-N173 PolarHBondContact NE2-ND2 2.96Å; Q53-N173 VanDerWaalsContact NE2-ND2 3.19Å
54E98Very high98Very high14 Ų1460.3 Ų60.37%0.06530%0.301CS..SBendtrans-65.8137.8176.4-64.4-58.2159.200110.9I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.65Å; I51-E54 HydrophobicContact CG1-CG 4.17Å; I51-E54 WeakPolarHBondContact O-CB 3.18Å; I51-E54 WeakPolarHBondContact O-CG 3.46Å; I51-E54 PolarHBondContact O-N 3.22Å; E52-E54 PolarHBondContact O-N 2.66Å; E54-Y58 HydrophobicContact CB-CD1 3.59Å; E54-Y58 HydrophobicContact CB-CE1 4.25Å; E54-Y58 HydrophobicContact CB-CG 3.77Å; E54-Y58 HydrophobicContact CG-CD1 4.08Å; E54-Y58 HydrophobicContact CG-CD2 4.48Å; E54-Y58 HydrophobicContact CG-CE1 4.33Å; E54-Y58 HydrophobicContact CG-CG 4.17Å; E54-W59 PolarHBondContact O-NE1 2.87Å; E54-R169 VanDerWaalsContact CD-NH2 3.34Å; E54-R169 IonicContact OE1-CZ 3.66Å; E54-R169 IonicContact OE1-NE 3.26Å; E54-R169 PolarHBondContact OE1-NE 2.83Å; E54-R169 IonicContact OE1-NH2 3.23Å; E54-R169 PolarHBondContact OE1-NH2 3.45Å; E54-R169 VanDerWaalsContact OE1-NH2 3.1Å; E54-R169 IonicContact OE2-CZ 3.57Å; E54-R169 IonicContact OE2-NE 3.5Å; E54-R169 IonicContact OE2-NH2 3.4Å; E54-R169 PolarHBondContact OE2-NH2 3.49Å; E54-N173 PolarHBondContact OE1-ND2 3.15Å
55G97.6Very high97.9Very high29 Ų2963.4 Ų63.430%0.29932%0.318SS..  trans-69168.6-174.800000113.9E57 Y58 W59G55-E57 PolarHBondContact O-N 2.02Å; G55-Y58 WeakPolarHBondContact O-CB 2.92Å; G55-Y58 PolarHBondContact O-N 2.82Å; G55-Y58 VanDerWaalsContact O-N 3.11Å; G55-W59 VanDerWaalsContact O-CD1 3.26Å; G55-W59 PolarHBondContact O-N 3.14Å
56P97.8Very high97.9Very high89 Ų8960.9 Ų60.958%0.57831%0.306SS*.Hα-helixtrans-58.2-32.1179.424.9-34.1000113Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.29Å; P56-Y58 PolarHBondContact O-N 3.05Å; P56-W59 PolarHBondContact O-N 2.81Å; P56-D60 WeakPolarHBondContact O-CB 3.02Å; P56-D60 PolarHBondContact O-N 2.64Å
57E98.1Very high97.9Very high146 Ų14662.4 Ų62.468%0.68231%0.309SS*.Hα-helixtrans-62.9-35.8178.4-59.893.9173.300112.6G55 Q61G55-E57 PolarHBondContact O-N 2.02Å; E57-Q61 VanDerWaalsContact O-CB 3.23Å; E57-Q61 WeakPolarHBondContact O-CB 3.5Å; E57-Q61 PolarHBondContact O-N 2.68Å
58Y98.3Very high97.9Very high17 Ų1760.4 Ų60.47%0.06731%0.314CS..Hα-helixtrans-62.5-53.3175.4171.9-94000110.2I51 E54 G55 P56 D60 Q61 E62 W166 Y170I51-Y58 HydrophobicContact CD1-CE1 4.16Å; I51-Y58 HydrophobicContact CG1-CE1 4.15Å; E54-Y58 HydrophobicContact CB-CD1 3.59Å; E54-Y58 HydrophobicContact CB-CE1 4.25Å; E54-Y58 HydrophobicContact CB-CG 3.77Å; E54-Y58 HydrophobicContact CG-CD1 4.08Å; E54-Y58 HydrophobicContact CG-CD2 4.48Å; E54-Y58 HydrophobicContact CG-CE1 4.33Å; E54-Y58 HydrophobicContact CG-CG 4.17Å; G55-Y58 WeakPolarHBondContact O-CB 2.92Å; G55-Y58 PolarHBondContact O-N 2.82Å; G55-Y58 VanDerWaalsContact O-N 3.11Å; P56-Y58 VanDerWaalsContact C-N 3.29Å; P56-Y58 PolarHBondContact O-N 3.05Å; Y58-D60 VanDerWaalsContact C-N 3.33Å; Y58-D60 PolarHBondContact O-N 2.84Å; Y58-Q61 PolarHBondContact O-N 3.01Å; Y58-E62 HydrophobicContact CD1-CG 4.35Å; Y58-E62 HydrophobicContact CD2-CG 4.18Å; Y58-E62 HydrophobicContact CE1-CG 3.98Å; Y58-E62 HydrophobicContact CE2-CG 3.8Å; Y58-E62 HydrophobicContact CG-CG 4.44Å; Y58-E62 WeakPolarHBondContact O-CB 3.29Å; Y58-E62 WeakPolarHBondContact O-CG 3.48Å; Y58-E62 PolarHBondContact O-N 2.93Å; Y58-W166 AromaticContact CD2-CH2 3.52Å; Y58-W166 HydrophobicContact CD2-CH2 3.52Å; Y58-W166 HydrophobicContact CD2-CZ2 4.1Å; Y58-W166 AromaticContact CD2-CZ3 3.92Å; Y58-W166 HydrophobicContact CD2-CZ3 3.92Å; Y58-W166 HydrophobicContact CE2-CE3 4.4Å; Y58-W166 AromaticContact CE2-CH2 3.91Å; Y58-W166 HydrophobicContact CE2-CH2 3.91Å; Y58-W166 HydrophobicContact CE2-CZ2 4.38Å; Y58-W166 AromaticContact CE2-CZ3 3.91Å; Y58-W166 HydrophobicContact CE2-CZ3 3.91Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.24Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.37Å; Y58-Y170 PolarHBondContact OH-OH 3.27Å
59W98.5Very high97.9Very high41 Ų4162.2 Ų62.216%0.15532%0.321CS..Hα-helixtrans-63.1-38.5-178-64110.9000113V33 M44 P46 I51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.01Å; V33-W59 HydrophobicContact CG1-CZ3 3.83Å; M44-W59 HydrophobicContact CB-CE3 4.24Å; M44-W59 HydrophobicContact CG-CE3 4.14Å; M44-W59 HydrophobicContact CG-CZ3 3.96Å; P46-W59 HydrophobicContact CB-CH2 3.65Å; P46-W59 HydrophobicContact CB-CZ2 4Å; P46-W59 HydrophobicContact CG-CH2 4.27Å; P46-W59 HydrophobicContact CG-CZ2 4.42Å; I51-W59 HydrophobicContact CB-CH2 4.47Å; I51-W59 HydrophobicContact CG1-CH2 3.79Å; I51-W59 HydrophobicContact CG1-CZ2 4.02Å; I51-W59 HydrophobicContact CG2-CH2 3.95Å; I51-W59 HydrophobicContact CG2-CZ2 4.31Å; I51-W59 WeakPolarHBondContact O-CZ2 3.4Å; E54-W59 PolarHBondContact O-NE1 2.87Å; G55-W59 VanDerWaalsContact O-CD1 3.26Å; G55-W59 PolarHBondContact O-N 3.14Å; P56-W59 PolarHBondContact O-N 2.81Å; W59-T63 WeakPolarHBondContact O-CB 3.22Å; W59-T63 PolarHBondContact O-N 3.02Å; W59-T63 PolarHBondContact O-OG1 2.91Å
60D98.4Very high97.9Very high83 Ų8358.1 Ų58.144%0.44430%0.295SS..Hα-helixtrans-69.9-37.6176.7-77.3-18.4000112.1P56 Y58 R64P56-D60 WeakPolarHBondContact O-CB 3.02Å; P56-D60 PolarHBondContact O-N 2.64Å; Y58-D60 VanDerWaalsContact C-N 3.33Å; Y58-D60 PolarHBondContact O-N 2.84Å; D60-R64 WeakPolarHBondContact O-CB 3.39Å; D60-R64 VanDerWaalsContact O-CG 3.29Å; D60-R64 WeakPolarHBondContact O-CG 3.35Å; D60-R64 PolarHBondContact O-N 3.23Å; D60-R64 VanDerWaalsContact O-N 3.11Å; D60-R64 PolarHBondContact O-NE 3.37Å
61Q98.1Very high97.9Very high75 Ų7562.3 Ų62.335%0.3532%0.315SS..Hα-helixtrans-68.3-49.1175.1-175.162.153.200111.2E57 Y58 T63 R64 N65E57-Q61 VanDerWaalsContact O-CB 3.23Å; E57-Q61 WeakPolarHBondContact O-CB 3.5Å; E57-Q61 PolarHBondContact O-N 2.68Å; Y58-Q61 PolarHBondContact O-N 3.01Å; Q61-T63 VanDerWaalsContact C-N 3.34Å; Q61-T63 PolarHBondContact O-N 3.17Å; Q61-R64 PolarHBondContact O-N 2.8Å; Q61-R64 VanDerWaalsContact O-N 3.14Å; Q61-N65 PolarHBondContact NE2-OD1 2.9Å; Q61-N65 PolarHBondContact O-N 3.36Å; Q61-N65 PolarHBondContact O-ND2 3.39Å; Q61-N65 PolarHBondContact O-OD1 3.4Å
62E98.3Very high97.9Very high29 Ų2965.7 Ų65.714%0.13634%0.336CS..Hα-helixtrans-62.2-42179.6-71.6-55.7101.700111.6M44 Y58 R64 N65 V66M44-E62 HydrophobicContact CB-CB 4.1Å; M44-E62 HydrophobicContact CE-CB 4.45Å; M44-E62 HydrophobicContact CG-CB 4.09Å; Y58-E62 HydrophobicContact CD1-CG 4.35Å; Y58-E62 HydrophobicContact CD2-CG 4.18Å; Y58-E62 HydrophobicContact CE1-CG 3.98Å; Y58-E62 HydrophobicContact CE2-CG 3.8Å; Y58-E62 HydrophobicContact CG-CG 4.44Å; Y58-E62 WeakPolarHBondContact O-CB 3.29Å; Y58-E62 WeakPolarHBondContact O-CG 3.48Å; Y58-E62 PolarHBondContact O-N 2.93Å; E62-R64 VanDerWaalsContact C-N 3.34Å; E62-R64 PolarHBondContact O-N 2.91Å; E62-N65 PolarHBondContact O-N 3.08Å; E62-N65 PolarHBondContact OE1-ND2 3.43Å; E62-V66 WeakPolarHBondContact O-CG2 3.34Å; E62-V66 PolarHBondContact O-N 3.25Å
63T98.6Very high97.9Very high14 Ų1460 Ų609%0.08631%0.309CS..Hα-helixtrans-61.1-42174.6-63.20000111.9R43 M44 W59 Q61 V66 K67R43-T63 HydrophobicContact CB-CG2 4.47Å; R43-T63 HydrophobicContact CG-CG2 4.26Å; M44-T63 PolarHBondContact N-OG1 2.89Å; W59-T63 WeakPolarHBondContact O-CB 3.22Å; W59-T63 PolarHBondContact O-N 3.02Å; W59-T63 PolarHBondContact O-OG1 2.91Å; Q61-T63 VanDerWaalsContact C-N 3.34Å; Q61-T63 PolarHBondContact O-N 3.17Å; T63-V66 WeakPolarHBondContact O-CG2 3.5Å; T63-K67 HydrophobicContact CG2-CD 4.2Å; T63-K67 WeakPolarHBondContact O-CB 3.34Å; T63-K67 WeakPolarHBondContact O-CG 3.39Å; T63-K67 PolarHBondContact O-N 3.1Å; T63-K67 VanDerWaalsContact O-N 3.11Å
64R98.4Very high98Very high149 Ų14959.3 Ų59.356%0.56230%0.302SS*.Hα-helixtrans-65.5-42.8176.4-79.2-175.4-67.6143.9-0.1111.5D60 Q61 E62 K67 A68D60-R64 WeakPolarHBondContact O-CB 3.39Å; D60-R64 VanDerWaalsContact O-CG 3.29Å; D60-R64 WeakPolarHBondContact O-CG 3.35Å; D60-R64 PolarHBondContact O-N 3.23Å; D60-R64 VanDerWaalsContact O-N 3.11Å; D60-R64 PolarHBondContact O-NE 3.37Å; Q61-R64 PolarHBondContact O-N 2.8Å; Q61-R64 VanDerWaalsContact O-N 3.14Å; E62-R64 VanDerWaalsContact C-N 3.34Å; E62-R64 PolarHBondContact O-N 2.91Å; R64-K67 PolarHBondContact O-N 3.37Å; R64-A68 WeakPolarHBondContact O-CB 3.45Å; R64-A68 PolarHBondContact O-N 2.8Å
65N97.6Very high97.9Very high73 Ų7362.9 Ų62.939%0.3932%0.324SS..Hα-helixtrans-58.9-52.1179.2-70.5-14000111.2Q61 E62 K67 A68 H69Q61-N65 PolarHBondContact NE2-OD1 2.9Å; Q61-N65 PolarHBondContact O-N 3.36Å; Q61-N65 PolarHBondContact O-ND2 3.39Å; Q61-N65 PolarHBondContact O-OD1 3.4Å; E62-N65 PolarHBondContact O-N 3.08Å; E62-N65 PolarHBondContact OE1-ND2 3.43Å; N65-K67 PolarHBondContact O-N 3.43Å; N65-A68 PolarHBondContact O-N 3.09Å; N65-H69 PolarHBondContact O-N 3.29Å
66V97.9Very high98Very high4 Ų464.4 Ų64.42%0.02433%0.326CS..Hα-helixtrans-68.9-31.3-179.3-64.60000113.4F8 F21 A23 F35 M44 E62 T63 H69 S70F8-V66 HydrophobicContact CZ-CG1 4.41Å; F21-V66 HydrophobicContact CE1-CB 4.02Å; A23-V66 HydrophobicContact CB-CG1 4.21Å; F35-V66 HydrophobicContact CB-CB 4.47Å; F35-V66 HydrophobicContact CB-CG2 3.94Å; F35-V66 HydrophobicContact CD1-CB 4.38Å; F35-V66 HydrophobicContact CD1-CG2 4.02Å; F35-V66 HydrophobicContact CD2-CB 4.44Å; F35-V66 HydrophobicContact CD2-CG2 3.3Å; F35-V66 HydrophobicContact CE1-CG2 4.37Å; F35-V66 HydrophobicContact CE2-CG2 3.7Å; F35-V66 HydrophobicContact CG-CB 4.19Å; F35-V66 HydrophobicContact CG-CG2 3.48Å; F35-V66 VanDerWaalsContact CG-CG2 3.48Å; F35-V66 HydrophobicContact CZ-CG2 4.22Å; M44-V66 HydrophobicContact CE-CB 4.4Å; M44-V66 HydrophobicContact CE-CG1 3.37Å; M44-V66 HydrophobicContact CE-CG2 4.24Å; E62-V66 WeakPolarHBondContact O-CG2 3.34Å; E62-V66 PolarHBondContact O-N 3.25Å; T63-V66 WeakPolarHBondContact O-CG2 3.5Å; V66-H69 PolarHBondContact O-N 3.44Å; V66-S70 WeakPolarHBondContact O-CB 3.46Å; V66-S70 PolarHBondContact O-N 3.13Å
67K98.2Very high98Very high77 Ų7760.6 Ų60.634%0.33530%0.3SS..Hα-helixtrans-66.3-43.6171.8-78.1-177.1177.1178.90111.8F35 Q42 T63 R64 N65 H69 S70 Q71F35-K67 HydrophobicContact CE2-CG 4.05Å; F35-K67 HydrophobicContact CZ-CG 3.91Å; Q42-K67 WeakPolarHBondContact O-CE 3.41Å; Q42-K67 PolarHBondContact O-NZ 3.18Å; T63-K67 HydrophobicContact CG2-CD 4.2Å; T63-K67 WeakPolarHBondContact O-CB 3.34Å; T63-K67 WeakPolarHBondContact O-CG 3.39Å; T63-K67 PolarHBondContact O-N 3.1Å; T63-K67 VanDerWaalsContact O-N 3.11Å; R64-K67 PolarHBondContact O-N 3.37Å; N65-K67 PolarHBondContact O-N 3.43Å; K67-H69 VanDerWaalsContact C-N 3.31Å; K67-H69 PolarHBondContact O-N 3.02Å; K67-S70 PolarHBondContact O-N 3.26Å; K67-S70 PolarHBondContact O-OG 2.94Å; K67-Q71 PolarHBondContact O-N 3.23Å
68A98.2Very high97.9Very high60 Ų6056 Ų5650%0.49629%0.287SS..Hα-helixtrans-61.8-42.4175.300000111.2R64 N65 Q71 T72R64-A68 WeakPolarHBondContact O-CB 3.45Å; R64-A68 PolarHBondContact O-N 2.8Å; N65-A68 PolarHBondContact O-N 3.09Å; A68-Q71 PolarHBondContact O-N 3.16Å; A68-T72 PolarHBondContact O-N 3.05Å; A68-T72 VanDerWaalsContact O-N 3.13Å; A68-T72 PolarHBondContact O-OG1 3.39Å; A68-T72 VanDerWaalsContact O-OG1 3.05Å
69H97.6Very high97.9Very high45 Ų4557.3 Ų57.321%0.20830%0.297CS..Hα-helixtrans-63.6-42.8176.3-161.289.2000112F8 F21 N65 V66 K67 Q71 T72 D73 M96F8-H69 AromaticContact CD2-CD2 3.41Å; F8-H69 VanDerWaalsContact CD2-CD2 3.41Å; F8-H69 WeakPolarHBondContact CD2-CD2 3.3Å; F8-H69 AromaticContact CD2-CE1 3.96Å; F8-H69 AromaticContact CD2-CG 3.94Å; F8-H69 AromaticContact CD2-NE2 3.38Å; F8-H69 WeakPolarHBondContact CD2-NE2 3.48Å; F8-H69 HydrophobicContact CE2-CB 4.41Å; F8-H69 AromaticContact CE2-CD2 3.75Å; F8-H69 AromaticContact CE2-CG 3.78Å; F8-H69 AromaticContact CE2-ND1 4Å; F8-H69 AromaticContact CE2-NE2 3.9Å; F21-H69 AromaticContact CE2-CD2 3.59Å; F21-H69 HydrophobicContact CZ-CB 4.48Å; F21-H69 AromaticContact CZ-CD2 3.94Å; N65-H69 PolarHBondContact O-N 3.29Å; V66-H69 PolarHBondContact O-N 3.44Å; K67-H69 VanDerWaalsContact C-N 3.31Å; K67-H69 PolarHBondContact O-N 3.02Å; H69-Q71 PolarHBondContact O-N 2.96Å; H69-T72 WeakPolarHBondContact O-CA 3.25Å; H69-T72 VanDerWaalsContact O-CB 3.29Å; H69-T72 WeakPolarHBondContact O-CB 3.26Å; H69-T72 PolarHBondContact O-N 3.47Å; H69-D73 IonicContact CD2-OD1 3.7Å; H69-D73 IonicContact CD2-OD2 3Å; H69-D73 IonicContact NE2-OD1 2.85Å; H69-D73 PolarHBondContact NE2-OD1 3.26Å; H69-D73 IonicContact NE2-OD2 2.8Å; H69-D73 PolarHBondContact O-N 3.13Å; H69-M96 VanDerWaalsContact CE1-SD 3.6Å
70S97.5Very high97.9Very high17 Ų1755.9 Ų55.912%0.11929%0.292CS..Hα-helixtrans-58.7-32.6176.275.30000113.7V66 K67 R74V66-S70 WeakPolarHBondContact O-CB 3.46Å; V66-S70 PolarHBondContact O-N 3.13Å; K67-S70 PolarHBondContact O-N 3.26Å; K67-S70 PolarHBondContact O-OG 2.94Å; S70-R74 PolarHBondContact O-N 3.09Å
71Q97.8Very high97.8Very high105 Ų10555.1 Ų55.149%0.49128%0.283SS..Hα-helixtrans-75.4-32.4174.9-63.7-51.7-50.800111.8K67 A68 H69 V75K67-Q71 PolarHBondContact O-N 3.23Å; A68-Q71 PolarHBondContact O-N 3.16Å; H69-Q71 PolarHBondContact O-N 2.96Å; Q71-V75 WeakPolarHBondContact O-CG2 3.34Å; Q71-V75 PolarHBondContact O-N 3.09Å
72T97.9Very high97.8Very high70 Ų7053.7 Ų53.743%0.42929%0.288SS..Hα-helixtrans-64.7-52174.4-54.50000109.8A68 H69 R74 V75 D76A68-T72 PolarHBondContact O-N 3.05Å; A68-T72 VanDerWaalsContact O-N 3.13Å; A68-T72 PolarHBondContact O-OG1 3.39Å; A68-T72 VanDerWaalsContact O-OG1 3.05Å; H69-T72 WeakPolarHBondContact O-CA 3.25Å; H69-T72 VanDerWaalsContact O-CB 3.29Å; H69-T72 WeakPolarHBondContact O-CB 3.26Å; H69-T72 PolarHBondContact O-N 3.47Å; T72-R74 PolarHBondContact O-N 3.46Å; T72-V75 WeakPolarHBondContact O-CA 3.32Å; T72-V75 WeakPolarHBondContact O-CB 3.45Å; T72-V75 PolarHBondContact O-N 3.28Å; T72-D76 WeakPolarHBondContact CG2-OD2 3.4Å; T72-D76 PolarHBondContact O-N 2.87Å
73D97.4Very high97.8Very high5 Ų555 Ų553%0.02729%0.292CS..Hα-helixtrans-57.9-35.7177.2-80.58.6000113.2S10 F21 H69 V75 D76 L77S10-D73 WeakPolarHBondContact CB-OD2 3.43Å; S10-D73 WeakPolarHBondContact OG-CB 3.42Å; S10-D73 VanDerWaalsContact OG-CG 3.29Å; S10-D73 PolarHBondContact OG-OD2 2.94Å; F21-D73 WeakPolarHBondContact CD2-OD2 3.38Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.39Å; H69-D73 IonicContact CD2-OD1 3.7Å; H69-D73 IonicContact CD2-OD2 3Å; H69-D73 IonicContact NE2-OD1 2.85Å; H69-D73 PolarHBondContact NE2-OD1 3.26Å; H69-D73 IonicContact NE2-OD2 2.8Å; H69-D73 PolarHBondContact O-N 3.13Å; D73-V75 VanDerWaalsContact C-N 3.32Å; D73-V75 PolarHBondContact O-N 3.43Å; D73-D76 PolarHBondContact O-N 3.3Å; D73-L77 WeakPolarHBondContact O-CB 3.17Å; D73-L77 WeakPolarHBondContact O-CG 3.31Å; D73-L77 PolarHBondContact O-N 3.46Å
74R97Very high97.8Very high103 Ų10357.4 Ų57.439%0.38930%0.3SS..Hα-helixtrans-60.3-44.1174.8175.2-171.8167.9166.112.4111.4E18 P19 S70 T72E18-R74 VanDerWaalsContact CD-NH1 3.34Å; E18-R74 IonicContact OE1-CZ 3.88Å; E18-R74 IonicContact OE1-NE 3.65Å; E18-R74 IonicContact OE1-NH1 3.84Å; E18-R74 PolarHBondContact OE1-NH1 3.12Å; E18-R74 IonicContact OE1-NH2 3.85Å; E18-R74 PolarHBondContact OE1-NH2 2.9Å; E18-R74 WeakPolarHBondContact OE2-CD 3.43Å; E18-R74 IonicContact OE2-CZ 3.62Å; E18-R74 IonicContact OE2-NE 2.82Å; E18-R74 PolarHBondContact OE2-NE 2.7Å; E18-R74 IonicContact OE2-NH1 3.6Å; E18-R74 PolarHBondContact OE2-NH1 2.82Å; E18-R74 IonicContact OE2-NH2 3.53Å; E18-R74 PolarHBondContact OE2-NH2 3.29Å; P19-R74 HydrophobicContact CG-CB 4.49Å; P19-R74 HydrophobicContact CG-CG 4.28Å; S70-R74 PolarHBondContact O-N 3.09Å; T72-R74 PolarHBondContact O-N 3.46Å
75V97.8Very high97.7Very high89 Ų8957.5 Ų57.554%0.53931%0.312SS..Hα-helixtrans-70.2-38.5177.2175.60000110.4Q71 T72 D73 A78 T79Q71-V75 WeakPolarHBondContact O-CG2 3.34Å; Q71-V75 PolarHBondContact O-N 3.09Å; T72-V75 WeakPolarHBondContact O-CA 3.32Å; T72-V75 WeakPolarHBondContact O-CB 3.45Å; T72-V75 PolarHBondContact O-N 3.28Å; D73-V75 VanDerWaalsContact C-N 3.32Å; D73-V75 PolarHBondContact O-N 3.43Å; V75-A78 PolarHBondContact O-N 3.43Å; V75-T79 PolarHBondContact O-N 3.3Å; V75-T79 PolarHBondContact O-OG1 2.9Å
76D98.1Very high97.7Very high62 Ų6256.8 Ų56.833%0.33231%0.307SS..Hα-helixtrans-68-38.1-180-69-21.7000111.8T72 D73 A78 T79 L80 I94T72-D76 WeakPolarHBondContact CG2-OD2 3.4Å; T72-D76 PolarHBondContact O-N 2.87Å; D73-D76 PolarHBondContact O-N 3.3Å; D76-A78 VanDerWaalsContact C-N 3.28Å; D76-A78 PolarHBondContact O-N 2.04Å; D76-T79 CarbonylContact O-C 3.56Å; D76-T79 WeakPolarHBondContact O-CB 3.07Å; D76-T79 PolarHBondContact O-N 3.04Å; D76-L80 WeakPolarHBondContact O-CB 3.2Å; D76-L80 VanDerWaalsContact O-CG 3.3Å; D76-L80 WeakPolarHBondContact O-CG 3.04Å; D76-L80 PolarHBondContact O-N 2.82Å; D76-I94 HydrophobicContact CB-CD1 3.73Å
77L98.3Very high97.6Very high9 Ų960.4 Ų60.45%0.04733%0.332CS..Hα-helixtrans-57-41.7172.4-81.8165.1000111.9P19 D73 R81 H92 I94 Y117P19-L77 HydrophobicContact CB-CD1 3.53Å; P19-L77 HydrophobicContact CG-CD1 3.6Å; D73-L77 WeakPolarHBondContact O-CB 3.17Å; D73-L77 WeakPolarHBondContact O-CG 3.31Å; D73-L77 PolarHBondContact O-N 3.46Å; L77-R81 WeakPolarHBondContact O-CB 3.35Å; L77-R81 PolarHBondContact O-N 2.84Å; L77-R81 VanDerWaalsContact O-N 3.16Å; L77-H92 HydrophobicContact CD2-CB 4.07Å; L77-I94 HydrophobicContact CB-CD1 4.43Å; L77-I94 HydrophobicContact CD2-CD1 4.01Å; L77-I94 HydrophobicContact CD2-CG1 3.78Å; L77-I94 HydrophobicContact CG-CD1 3.73Å; L77-I94 HydrophobicContact CG-CG1 4.05Å; L77-Y117 HydrophobicContact CD2-CE2 4.34Å
78A96.4Very high97.3Very high49 Ų4963 Ų6341%0.40535%0.345SS..Hα-helixtrans-69.6-37.8175.800000112.1V75 D76 G82V75-A78 PolarHBondContact O-N 3.43Å; D76-A78 VanDerWaalsContact C-N 3.28Å; D76-A78 PolarHBondContact O-N 2.04Å; A78-G82 PolarHBondContact O-N 2.79Å
79T98.1Very high97.1Very high44 Ų4464 Ų6427%0.2735%0.354SS..Hα-helixtrans-66.7-48.9178.7-60.90000111.6V75 D76 R81 G82 Y83V75-T79 PolarHBondContact O-N 3.3Å; V75-T79 PolarHBondContact O-OG1 2.9Å; D76-T79 CarbonylContact O-C 3.56Å; D76-T79 WeakPolarHBondContact O-CB 3.07Å; D76-T79 PolarHBondContact O-N 3.04Å; T79-R81 PolarHBondContact O-N 2.94Å; T79-G82 WeakPolarHBondContact O-CA 3.35Å; T79-G82 PolarHBondContact O-N 3.43Å; T79-Y83 HydrophobicContact CG2-CD1 4.48Å; T79-Y83 HydrophobicContact CG2-CD2 4.4Å; T79-Y83 HydrophobicContact CG2-CE1 3.9Å; T79-Y83 HydrophobicContact CG2-CE2 3.81Å; T79-Y83 PolarHBondContact O-N 2.81Å
80L98.3Very high97Very high12 Ų1263.1 Ų63.16%0.06336%0.357CS..Hα-helixtrans-62.9-42.1179.2-68.9176.1000111.3D76 G82 Y83 Y84 I94 Y117 Y122D76-L80 WeakPolarHBondContact O-CB 3.2Å; D76-L80 VanDerWaalsContact O-CG 3.3Å; D76-L80 WeakPolarHBondContact O-CG 3.04Å; D76-L80 PolarHBondContact O-N 2.82Å; L80-G82 PolarHBondContact O-N 2.75Å; L80-Y83 HydrophobicContact CD2-CD2 4.16Å; L80-Y83 PolarHBondContact O-N 3.31Å; L80-Y84 HydrophobicContact CD2-CE2 4.47Å; L80-Y84 VanDerWaalsContact O-CD2 3.27Å; L80-Y84 WeakPolarHBondContact O-CD2 3.15Å; L80-Y84 PolarHBondContact O-N 3.3Å; L80-I94 HydrophobicContact CD1-CD1 3.55Å; L80-I94 HydrophobicContact CD1-CG1 3.66Å; L80-Y117 HydrophobicContact CB-CD2 4.12Å; L80-Y117 HydrophobicContact CB-CE1 4.2Å; L80-Y117 HydrophobicContact CB-CE2 3.74Å; L80-Y117 HydrophobicContact CB-CG 4.49Å; L80-Y117 HydrophobicContact CD1-CD2 3.4Å; L80-Y117 HydrophobicContact CD1-CE2 3.78Å; L80-Y117 HydrophobicContact CD1-CG 3.9Å; L80-Y117 HydrophobicContact CG-CD2 4.36Å; L80-Y117 HydrophobicContact CG-CE2 4.42Å; L80-Y122 HydrophobicContact CD2-CD2 4.35Å; L80-Y122 HydrophobicContact CD2-CE1 3.87Å; L80-Y122 HydrophobicContact CD2-CE2 3.57Å; L80-Y122 VanDerWaalsContact CD2-OH 3.27Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.4Å
81R97.3Very high97Very high67 Ų6765.9 Ų65.925%0.25338%0.376SS..Hα-helixtrans-53.5-41.6172-172.3-17666.9-162.88.7111.8L77 T79 N85 Q86 E88L77-R81 WeakPolarHBondContact O-CB 3.35Å; L77-R81 PolarHBondContact O-N 2.84Å; L77-R81 VanDerWaalsContact O-N 3.16Å; T79-R81 PolarHBondContact O-N 2.94Å; R81-N85 PolarHBondContact O-N 3.04Å; R81-N85 VanDerWaalsContact O-N 3.12Å; R81-Q86 HydrophobicContact CG-CB 3.71Å; R81-Q86 WeakPolarHBondContact CG-O 3.43Å; R81-Q86 PolarHBondContact O-N 3.15Å; R81-E88 IonicContact CZ-OE1 2.75Å; R81-E88 IonicContact NH1-OE1 2.67Å; R81-E88 IonicContact NH2-OE1 3.92Å; R81-E88 PolarHBondContact NH2-OE1 3.47Å
82G97.4Very high97Very high44 Ų4461.7 Ų61.745%0.45436%0.356SS..Hα-helixtrans-64.6-45.1174.100000113.1A78 T79 L80 Y84 N85A78-G82 PolarHBondContact O-N 2.79Å; T79-G82 WeakPolarHBondContact O-CA 3.35Å; T79-G82 PolarHBondContact O-N 3.43Å; L80-G82 PolarHBondContact O-N 2.75Å; G82-Y84 VanDerWaalsContact C-N 3.28Å; G82-Y84 PolarHBondContact O-N 3.32Å; G82-N85 PolarHBondContact O-N 3.12Å
83Y98.1Very high97.1Very high56 Ų5660 Ų6022%0.2235%0.346CS..Hα-helixtrans-61.1-36.8178.7-67.5-9.8000113.1T79 L80 I141 K145T79-Y83 HydrophobicContact CG2-CD1 4.48Å; T79-Y83 HydrophobicContact CG2-CD2 4.4Å; T79-Y83 HydrophobicContact CG2-CE1 3.9Å; T79-Y83 HydrophobicContact CG2-CE2 3.81Å; T79-Y83 PolarHBondContact O-N 2.81Å; L80-Y83 HydrophobicContact CD2-CD2 4.16Å; L80-Y83 PolarHBondContact O-N 3.31Å; Y83-I141 HydrophobicContact CD1-CD1 4.09Å; Y83-I141 HydrophobicContact CD2-CD1 4.46Å; Y83-I141 HydrophobicContact CE1-CD1 4.2Å; Y83-I141 HydrophobicContact CE1-CG2 4.09Å; Y83-I141 HydrophobicContact CE2-CB 4.06Å; Y83-I141 HydrophobicContact CE2-CG2 4.02Å; Y83-I141 HydrophobicContact CG-CD1 4.22Å; Y83-I141 VanDerWaalsContact OH-CG2 3.3Å; Y83-I141 WeakPolarHBondContact OH-CG2 3.37Å; Y83-K145 WeakPolarHBondContact OH-CE 3.44Å; Y83-K145 PolarHBondContact OH-NZ 3.29Å
84Y98.1Very high97.1Very high65 Ų6560.1 Ų60.126%0.25535%0.347SS..THydrogen-bonded Turntrans-93.15179.7-68.9-72000113.9L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.47Å; L80-Y84 VanDerWaalsContact O-CD2 3.27Å; L80-Y84 WeakPolarHBondContact O-CD2 3.15Å; L80-Y84 PolarHBondContact O-N 3.3Å; G82-Y84 VanDerWaalsContact C-N 3.28Å; G82-Y84 PolarHBondContact O-N 3.32Å; Y84-Q86 PolarHBondContact O-N 3.39Å; Y84-Y117 AromaticContact CD2-CD1 3.69Å; Y84-Y117 HydrophobicContact CD2-CD1 3.69Å; Y84-Y117 AromaticContact CD2-CE1 3.49Å; Y84-Y117 HydrophobicContact CD2-CE1 3.49Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.49Å; Y84-Y117 AromaticContact CE2-CD1 3.5Å; Y84-Y117 HydrophobicContact CE2-CD1 3.5Å; Y84-Y117 AromaticContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CG 4.41Å; Y84-Y117 HydrophobicContact CG-CE1 4.34Å; Y84-Y122 HydrophobicContact CE2-CD2 4.43Å; Y84-Y122 HydrophobicContact CE2-CE2 4.14Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.3Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.46Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.47Å; Y84-D136 VanDerWaalsContact OH-CG 3.27Å; Y84-D136 PolarHBondContact OH-OD1 2.93Å; Y84-D136 PolarHBondContact OH-OD2 2.84Å; Y84-A138 HydrophobicContact CD1-CB 4.25Å; Y84-A138 HydrophobicContact CD2-CB 4.49Å; Y84-A138 HydrophobicContact CE1-CB 3.67Å; Y84-A138 HydrophobicContact CE2-CB 3.94Å; Y84-A138 VanDerWaalsContact CZ-CB 3.49Å
85N97.1Very high97.2Very high151 Ų15159.1 Ų59.181%0.80735%0.346SS*.THydrogen-bonded Turntrans51.440.4-177.3-57.4-62.6000113.1R81 G82R81-N85 PolarHBondContact O-N 3.04Å; R81-N85 VanDerWaalsContact O-N 3.12Å; G82-N85 PolarHBondContact O-N 3.12Å
86Q97.6Very high97.2Very high59 Ų5955.7 Ų55.728%0.27632%0.324SS..  trans-88.4154.3-175.6-72.8169.3-31.800112.1R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.71Å; R81-Q86 WeakPolarHBondContact CG-O 3.43Å; R81-Q86 PolarHBondContact O-N 3.15Å; Y84-Q86 PolarHBondContact O-N 3.39Å; Q86-H92 PolarHBondContact NE2-CE1 2.94Å; Q86-H92 PolarHBondContact OE1-CE1 3.3Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.25Å; Q86-H92 PolarHBondContact OE1-ND1 3.1Å; Q86-Y117 PolarHBondContact OE1-OH 2.88Å; Q86-D118 PolarHBondContact NE2-OD2 3.02Å
87S95.7Very high97.3Very high80 Ų8053.7 Ų53.756%0.55931%0.313SS*.  trans-71.9147179.1172.90000112.4A89 G90S87-A89 PolarHBondContact O-N 3.46Å; S87-A89 PolarHBondContact OG-N 2.82Å; S87-G90 PolarHBondContact O-N 3.03Å
88E92.8Very high97.3Very high131 Ų13155 Ų5561%0.61232%0.318SS*.THydrogen-bonded Turntrans-67.2-18.2174.1-54.1-157.2129.300113.9P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.23Å; P14-E88 WeakPolarHBondContact CG-O 3.2Å; R81-E88 IonicContact CZ-OE1 2.75Å; R81-E88 IonicContact NH1-OE1 2.67Å; R81-E88 IonicContact NH2-OE1 3.92Å; R81-E88 PolarHBondContact NH2-OE1 3.47Å; E88-G90 VanDerWaalsContact C-N 3.28Å
89A93.7Very high97.4Very high82 Ų8252.6 Ų52.668%0.67830%0.298SS*.THydrogen-bonded Turntrans-77.8-15.2178.900000113S87S87-A89 PolarHBondContact O-N 3.46Å; S87-A89 PolarHBondContact OG-N 2.82Å
90G94.3Very high97.4Very high26 Ų2650.5 Ų50.527%0.26829%0.286SS..SBendtrans-76.5136.4-17900000113P14 S87 E88 H92P14-G90 VanDerWaalsContact CG-O 3.23Å; P14-G90 WeakPolarHBondContact CG-O 3.42Å; S87-G90 PolarHBondContact O-N 3.03Å; E88-G90 VanDerWaalsContact C-N 3.28Å; G90-H92 PolarHBondContact O-CD2 3.25Å; G90-H92 VanDerWaalsContact O-CD2 3.26Å
91S97.7Very high97.5Very high74 Ų7451.4 Ų51.452%0.51729%0.291SS..  trans-80.1132.4163.4-176.40000108.4S12S12-S91 PolarHBondContact O-OG 3.4Å
92H98.5Very high97.5Very high17 Ų1748.3 Ų48.38%0.07928%0.279CS..  trans-132154.7-177.1-65.2-71.3000110.4S12 L77 Q86 G90 Y117 D118S12-H92 PolarHBondContact N-O 3.08Å; S12-H92 PolarHBondContact OG-N 3.49Å; S12-H92 PolarHBondContact OG-O 2.77Å; L77-H92 HydrophobicContact CD2-CB 4.07Å; Q86-H92 PolarHBondContact NE2-CE1 2.94Å; Q86-H92 PolarHBondContact OE1-CE1 3.3Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.25Å; Q86-H92 PolarHBondContact OE1-ND1 3.1Å; G90-H92 PolarHBondContact O-CD2 3.25Å; G90-H92 VanDerWaalsContact O-CD2 3.26Å; H92-Y117 HydrophobicContact CB-CE2 3.91Å; H92-Y117 WeakPolarHBondContact CB-OH 3.36Å; H92-Y117 AromaticContact ND1-CZ 3.94Å; H92-Y117 PolarHBondContact ND1-OH 2.78Å; H92-D118 WeakPolarHBondContact CA-OD1 3.49Å; H92-D118 IonicContact CE1-OD2 2.99Å; H92-D118 IonicContact CG-OD1 3.78Å; H92-D118 IonicContact CG-OD2 3.64Å; H92-D118 IonicContact ND1-OD1 2.7Å; H92-D118 IonicContact ND1-OD2 2.95Å; H92-D118 PolarHBondContact ND1-OD2 2.92Å
93T98.8Very high97.5Very high34 Ų3446.4 Ų46.421%0.20926%0.259CS..EExtended strand (participates in β ladder)trans-127131.1-176-51.20000111.2T9 S10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 4.01Å; S10-T93 CarbonylContact O-C 3.59Å; S10-T93 VanDerWaalsContact O-CA 3.27Å; S10-T93 WeakPolarHBondContact O-CA 3.31Å; V11-T93 HydrophobicContact CG2-CG2 4.2Å; T93-Q95 HydrophobicContact CG2-CG 3.88Å; T93-Y117 CarbonylContact O-C 3.52Å; T93-Y117 WeakPolarHBondContact O-CA 3.46Å; T93-Y117 VanDerWaalsContact O-CD2 3.27Å; T93-Y117 WeakPolarHBondContact O-CD2 3.36Å; T93-D118 PolarHBondContact N-OD1 2.89Å; T93-D118 PolarHBondContact O-N 3.28Å
94I98.8Very high97.4Very high9 Ų949.8 Ų49.85%0.04629%0.288CS..EExtended strand (participates in β ladder)trans-105.4135.1161.5-64.6174.1000107.6T9 S10 D76 L77 L80 A116 Y117T9-I94 WeakPolarHBondContact CA-O 3.44Å; S10-I94 PolarHBondContact N-O 2.85Å; S10-I94 PolarHBondContact O-N 2.88Å; D76-I94 HydrophobicContact CB-CD1 3.73Å; L77-I94 HydrophobicContact CB-CD1 4.43Å; L77-I94 HydrophobicContact CD2-CD1 4.01Å; L77-I94 HydrophobicContact CD2-CG1 3.78Å; L77-I94 HydrophobicContact CG-CD1 3.73Å; L77-I94 HydrophobicContact CG-CG1 4.05Å; L80-I94 HydrophobicContact CD1-CD1 3.55Å; L80-I94 HydrophobicContact CD1-CG1 3.66Å; I94-A116 WeakPolarHBondContact CA-O 3.27Å; I94-Y117 HydrophobicContact CG1-CD2 3.94Å; I94-Y117 HydrophobicContact CG1-CE2 4.38Å
95Q98.8Very high97.3Very high82 Ų8251.1 Ų51.138%0.38330%0.3SS..EExtended strand (participates in β ladder)trans-125.2139.1170.3-60.6174.6-101.400108.8F8 T9 T93 D115 A116F8-Q95 CarbonylContact O-C 3.58Å; F8-Q95 VanDerWaalsContact O-CA 3.29Å; F8-Q95 WeakPolarHBondContact O-CA 3.41Å; T9-Q95 HydrophobicContact CG2-CG 4.27Å; T93-Q95 HydrophobicContact CG2-CG 3.88Å; Q95-D115 CarbonylContact O-C 3.59Å; Q95-D115 VanDerWaalsContact O-CA 3.27Å; Q95-D115 WeakPolarHBondContact O-CA 3.16Å; Q95-A116 HydrophobicContact CB-CB 4.34Å; Q95-A116 PolarHBondContact N-O 2.9Å; Q95-A116 PolarHBondContact O-N 3.13Å
96M98.5Very high97.2Very high16 Ų1644.5 Ų44.58%0.07927%0.267CS..EExtended strand (participates in β ladder)trans-131137.4176.2-177.1178.99500109.6F7 F8 H69 Y98 Q113 Q114 D115F7-M96 WeakPolarHBondContact CA-O 3.47Å; F8-M96 HydrophobicContact CB-CB 4.29Å; F8-M96 HydrophobicContact CD2-CE 3.29Å; F8-M96 HydrophobicContact CD2-SD 4.48Å; F8-M96 HydrophobicContact CE2-CE 3.46Å; F8-M96 VanDerWaalsContact CE2-CE 3.46Å; F8-M96 HydrophobicContact CG-CE 4.24Å; F8-M96 HydrophobicContact CZ-CE 4.49Å; F8-M96 PolarHBondContact N-O 3.17Å; F8-M96 PolarHBondContact O-N 2.75Å; H69-M96 VanDerWaalsContact CE1-SD 3.6Å; M96-Y98 HydrophobicContact CE-CD1 3.27Å; M96-Y98 HydrophobicContact CE-CE1 3.28Å; M96-Y98 HydrophobicContact CE-CG 4.31Å; M96-Y98 HydrophobicContact CG-CD1 4.5Å; M96-Q113 PolarHBondContact SD-NE2 3.48Å; M96-Q114 WeakPolarHBondContact CA-O 3.33Å; M96-D115 WeakPolarHBondContact CG-OD1 3.45Å
97M98.8Very high97.2Very high21 Ų2149.8 Ų49.810%0.10329%0.285CS..EExtended strand (participates in β ladder)trans-128.6129.4170.7-175.3-78.9-69.900109.9Y6 F7 Y112 Q113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.22Å; F7-M97 HydrophobicContact CD1-CB 4.04Å; F7-M97 HydrophobicContact CD1-CG 3.65Å; F7-M97 HydrophobicContact CE1-CB 4.23Å; F7-M97 HydrophobicContact CE1-CG 3.41Å; F7-M97 VanDerWaalsContact CE1-CG 3.41Å; F7-M97 HydrophobicContact CZ-CG 4.11Å; M97-Y112 HydrophobicContact CE-CD1 4.11Å; M97-Y112 HydrophobicContact CE-CG 4.22Å; M97-Q113 CarbonylContact O-C 3.52Å; M97-Q113 WeakPolarHBondContact O-CA 3.39Å; M97-Q114 HydrophobicContact CB-CG 4.16Å; M97-Q114 VanDerWaalsContact CE-CD 3.45Å; M97-Q114 HydrophobicContact CE-CG 3.85Å; M97-Q114 PolarHBondContact N-O 3.19Å; M97-Q114 PolarHBondContact O-N 3.37Å
98Y98.8Very high97.3Very high35 Ų3548.5 Ų48.514%0.13727%0.271CS..EExtended strand (participates in β ladder)trans-145.1160173.969.4-77.2000112.4R5 Y6 F8 M96 Y112 Y158R5-Y98 WeakPolarHBondContact CA-O 3.42Å; Y6-Y98 AromaticContact CD2-CE2 3.9Å; Y6-Y98 HydrophobicContact CD2-CE2 3.9Å; Y6-Y98 AromaticContact CD2-CZ 3.87Å; Y6-Y98 HydrophobicContact CG-CE1 4.13Å; Y6-Y98 HydrophobicContact CG-CE2 4.28Å; Y6-Y98 AromaticContact CG-CZ 3.78Å; Y6-Y98 PolarHBondContact N-O 2.96Å; Y6-Y98 PolarHBondContact O-N 3.29Å; Y6-Y98 VanDerWaalsContact O-N 3.16Å; F8-Y98 HydrophobicContact CD2-CE1 4.27Å; F8-Y98 HydrophobicContact CE1-CE1 4.09Å; F8-Y98 AromaticContact CE2-CE1 3.71Å; F8-Y98 HydrophobicContact CE2-CE1 3.71Å; F8-Y98 AromaticContact CZ-CE1 3.62Å; F8-Y98 HydrophobicContact CZ-CE1 3.62Å; F8-Y98 AromaticContact CZ-CZ 3.94Å; F8-Y98 VanDerWaalsContact CZ-OH 3.31Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.5Å; M96-Y98 HydrophobicContact CE-CD1 3.27Å; M96-Y98 HydrophobicContact CE-CE1 3.28Å; M96-Y98 HydrophobicContact CE-CG 4.31Å; M96-Y98 HydrophobicContact CG-CD1 4.5Å; Y98-Y112 WeakPolarHBondContact CA-O 3.38Å; Y98-Y112 VanDerWaalsContact CB-O 3.23Å; Y98-Y112 WeakPolarHBondContact CB-O 3.47Å; Y98-Y158 AromaticContact CD2-CE1 3.76Å; Y98-Y158 HydrophobicContact CD2-CE1 3.76Å; Y98-Y158 AromaticContact CE2-CE1 3.75Å; Y98-Y158 HydrophobicContact CE2-CE1 3.75Å; Y98-Y158 AromaticContact CE2-CZ 3.89Å
99G98.7Very high97.6Very high0 Ų047.9 Ų47.90%027%0.271CS..EExtended strand (participates in β ladder)trans155.1-171.5-18000000113.5M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.58Å; M4-G99 WeakPolarHBondContact O-CA 3.21Å; G99-G111 CarbonylContact O-C 3.58Å; G99-G111 WeakPolarHBondContact O-CA 3.3Å; G99-Y112 PolarHBondContact N-O 3.22Å; G99-Y112 VanDerWaalsContact N-O 3.1Å; G99-Y112 PolarHBondContact O-N 3.16Å; G99-L159 WeakPolarHBondContact O-CD2 3.3Å
100C98.8Very high97.8Very high0 Ų048.3 Ų48.30%026%0.255CS..EExtended strand (participates in β ladder)trans-136145.2-17350.80000110.8S3 M4 L108 R110 C163 V164S3-C100 WeakPolarHBondContact CA-O 3.41Å; M4-C100 PolarHBondContact N-O 2.88Å; M4-C100 PolarHBondContact O-N 2.99Å; C100-L108 HydrophobicContact CB-CD1 3.61Å; C100-R110 WeakPolarHBondContact CA-O 3.36Å; C100-C163 HydrophobicContact CB-CB 3.92Å; C100-C163 WeakPolarHBondContact CB-SG 3.45Å; C100-C163 PolarHBondContact N-SG 2.82Å; C100-C163 WeakPolarHBondContact SG-CB 3.31Å; C100-C163 PolarHBondContact SG-O 3.18Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.97Å; C100-V164 HydrophobicContact CB-CG2 4.33Å
101D98.8Very high98Very high31 Ų3147.2 Ų47.217%0.16624%0.244CC..EExtended strand (participates in β ladder)trans-109.2137170.7-64.2-3.7000108.8H2 S3 R5 L109 R110 Y112H2-D101 CarbonylContact O-C 3.58Å; H2-D101 WeakPolarHBondContact O-CA 3.37Å; S3-D101 WeakPolarHBondContact CB-OD1 3.47Å; R5-D101 IonicContact CZ-OD1 3.98Å; R5-D101 IonicContact NE-OD1 3.36Å; R5-D101 PolarHBondContact NE-OD1 2.65Å; R5-D101 VanDerWaalsContact NH2-CG 3.32Å; R5-D101 IonicContact NH2-OD1 3.6Å; R5-D101 PolarHBondContact NH2-OD1 2.85Å; R5-D101 IonicContact NH2-OD2 3.1Å; R5-D101 PolarHBondContact NH2-OD2 3.38Å; R5-D101 VanDerWaalsContact NH2-OD2 3.08Å; D101-L109 PolarHBondContact O-N 3.44Å; D101-R110 PolarHBondContact N-O 2.9Å; D101-R110 PolarHBondContact O-N 2.87Å; D101-Y112 HydrophobicContact CB-CE2 4.49Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.14Å; D101-Y112 PolarHBondContact OD2-OH 3.18Å
102V98.6Very high98Very high1 Ų145.6 Ų45.61%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-124.5145.4179.6-60.30000112.3S1 H2 R107 V164 L167S1-V102 WeakPolarHBondContact CA-O 3.49Å; S1-V102 VanDerWaalsContact CB-O 3.3Å; S1-V102 WeakPolarHBondContact CB-O 3.38Å; H2-V102 HydrophobicContact CB-CG2 4.11Å; H2-V102 PolarHBondContact N-O 2.82Å; H2-V102 PolarHBondContact O-N 3.42Å; V102-R107 CarbonylContact C-O 3.56Å; V102-R107 WeakPolarHBondContact CA-O 3.42Å; V102-R107 WeakPolarHBondContact CB-O 3.34Å; V102-V164 HydrophobicContact CG1-CB 4.44Å; V102-V164 HydrophobicContact CG1-CG1 4.03Å; V102-V164 HydrophobicContact CG1-CG2 3.98Å; V102-L167 HydrophobicContact CB-CD2 4.37Å; V102-L167 HydrophobicContact CG1-CD2 3.96Å; V102-L167 HydrophobicContact CG2-CD2 3.59Å; V102-L167 HydrophobicContact CG2-CG 4.24Å
103G97.6Very high98Very high4 Ų445.5 Ų45.54%0.04123%0.227CC..  trans-73175.1173.600000112.2D105 G106 R107G103-D105 PolarHBondContact O-N 2.97Å; G103-G106 WeakPolarHBondContact O-CA 3.47Å; G103-G106 PolarHBondContact O-N 3.35Å; G103-R107 PolarHBondContact N-O 3.06Å
104P95.4Very high98Very high127 Ų12747.7 Ų47.783%0.82524%0.235SC*.THydrogen-bonded Turntrans-59.1-25.1173-2334.1000113.8G106P104-G106 PolarHBondContact O-N 2.83Å
105D95.7Very high98Very high94 Ų9448.4 Ų48.450%0.50324%0.239SC..THydrogen-bonded Turntrans-80.82.7173.369.4-12.2000113.1G103 R107G103-D105 PolarHBondContact O-N 2.97Å; D105-R107 PolarHBondContact O-N 2.94Å; D105-R107 WeakPolarHBondContact OD1-CB 3.46Å; D105-R107 PolarHBondContact OD1-N 2.78Å; D105-R107 WeakPolarHBondContact OD2-CD 3.26Å; D105-R107 WeakPolarHBondContact OD2-CG 3.49Å; D105-R107 IonicContact OD2-CZ 3.1Å; D105-R107 IonicContact OD2-NE 3.12Å; D105-R107 IonicContact OD2-NH1 2.86Å
106G94.9Very high98Very high12 Ų1245.3 Ų45.312%0.12423%0.227CC..  trans72.43.8-178.300000114.3G103 P104 V164 R168G103-G106 WeakPolarHBondContact O-CA 3.47Å; G103-G106 PolarHBondContact O-N 3.35Å; P104-G106 PolarHBondContact O-N 2.83Å; G106-V164 WeakPolarHBondContact O-CG1 3.48Å; G106-R168 VanDerWaalsContact C-NH2 3.3Å; G106-R168 PolarHBondContact O-NE 2.96Å; G106-R168 PolarHBondContact O-NH2 3.21Å
107R97.4Very high98Very high170 Ų17045 Ų4564%0.64223%0.225SC*.  trans-78.6148.6179.7-65.4-173.7-178.8150.3-6111.2V102 G103 D105 L109V102-R107 CarbonylContact C-O 3.56Å; V102-R107 WeakPolarHBondContact CA-O 3.42Å; V102-R107 WeakPolarHBondContact CB-O 3.34Å; G103-R107 PolarHBondContact N-O 3.06Å; D105-R107 PolarHBondContact O-N 2.94Å; D105-R107 WeakPolarHBondContact OD1-CB 3.46Å; D105-R107 PolarHBondContact OD1-N 2.78Å; D105-R107 WeakPolarHBondContact OD2-CD 3.26Å; D105-R107 WeakPolarHBondContact OD2-CG 3.49Å; D105-R107 IonicContact OD2-CZ 3.1Å; D105-R107 IonicContact OD2-NE 3.12Å; D105-R107 IonicContact OD2-NH1 2.86Å; R107-L109 PolarHBondContact O-N 2.91Å
108L98.4Very high98Very high53 Ų5347 Ų4728%0.27724%0.236SC..EExtended strand (participates in β ladder)trans-58124.2175.5-174.571.3000109.9C100 R110 L129 E160 V164C100-L108 HydrophobicContact CB-CD1 3.61Å; L108-R110 WeakPolarHBondContact CD1-O 3.13Å; L108-L129 HydrophobicContact CD2-CD1 4.14Å; L108-E160 HydrophobicContact CD2-CB 4.41Å; L108-E160 HydrophobicContact CD2-CG 3.68Å; L108-V164 HydrophobicContact CB-CG2 4.03Å; L108-V164 HydrophobicContact CD1-CG2 3.82Å; L108-V164 HydrophobicContact CG-CG2 4.49Å
109L98.3Very high98Very high117 Ų11748.1 Ų48.161%0.61326%0.258SS*.EExtended strand (participates in β ladder)trans-93.8-43.6167.7-64.6178.1000110.4D101 R107D101-L109 PolarHBondContact O-N 3.44Å; R107-L109 PolarHBondContact O-N 2.91Å
110R98.1Very high98Very high91 Ų9155.7 Ų55.734%0.34329%0.291SS..EExtended strand (participates in β ladder)trans-157.3143.3-177-174.1162.1169.3150.811.1111.7C100 D101 L108 Y112 E127C100-R110 WeakPolarHBondContact CA-O 3.36Å; D101-R110 PolarHBondContact N-O 2.9Å; D101-R110 PolarHBondContact O-N 2.87Å; L108-R110 WeakPolarHBondContact CD1-O 3.13Å; R110-Y112 HydrophobicContact CB-CE2 4.02Å; R110-Y112 VanDerWaalsContact CD-CZ 3.46Å; R110-Y112 WeakPolarHBondContact CD-OH 3.5Å; R110-Y112 HydrophobicContact CG-CD2 4.36Å; R110-Y112 HydrophobicContact CG-CE1 4.15Å; R110-Y112 HydrophobicContact CG-CE2 3.69Å; R110-Y112 PolarHBondContact NE-OH 2.77Å; R110-E127 IonicContact CZ-OE1 2.79Å; R110-E127 IonicContact NH1-OE1 3.2Å; R110-E127 PolarHBondContact NH1-OE1 2.9Å; R110-E127 IonicContact NH1-OE2 2.77Å; R110-E127 IonicContact NH2-OE1 3.1Å; R110-E127 PolarHBondContact NH2-OE1 2.87Å
111G98.5Very high98Very high4 Ų461.9 Ų61.94%0.04132%0.324CS..EExtended strand (participates in β ladder)trans-111.2155.3169.400000111.3G99G99-G111 CarbonylContact O-C 3.58Å; G99-G111 WeakPolarHBondContact O-CA 3.3Å
112Y98.6Very high98Very high39 Ų3960.8 Ų60.815%0.15332%0.318CS..EExtended strand (participates in β ladder)trans-135.1140-177.7-58.3-94.4000110.4M97 Y98 G99 D101 R110M97-Y112 HydrophobicContact CE-CD1 4.11Å; M97-Y112 HydrophobicContact CE-CG 4.22Å; Y98-Y112 WeakPolarHBondContact CA-O 3.38Å; Y98-Y112 VanDerWaalsContact CB-O 3.23Å; Y98-Y112 WeakPolarHBondContact CB-O 3.47Å; G99-Y112 PolarHBondContact N-O 3.22Å; G99-Y112 VanDerWaalsContact N-O 3.1Å; G99-Y112 PolarHBondContact O-N 3.16Å; D101-Y112 HydrophobicContact CB-CE2 4.49Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.14Å; D101-Y112 PolarHBondContact OD2-OH 3.18Å; R110-Y112 HydrophobicContact CB-CE2 4.02Å; R110-Y112 VanDerWaalsContact CD-CZ 3.46Å; R110-Y112 WeakPolarHBondContact CD-OH 3.5Å; R110-Y112 HydrophobicContact CG-CD2 4.36Å; R110-Y112 HydrophobicContact CG-CE1 4.15Å; R110-Y112 HydrophobicContact CG-CE2 3.69Å; R110-Y112 PolarHBondContact NE-OH 2.77Å
113Q98.5Very high98Very high16 Ų1660.9 Ų60.98%0.07532%0.318CS..EExtended strand (participates in β ladder)trans-151.3117.4159.2167.170.5-26.300106.1M96 M97 L125 W132 L155M96-Q113 PolarHBondContact SD-NE2 3.48Å; M97-Q113 CarbonylContact O-C 3.52Å; M97-Q113 WeakPolarHBondContact O-CA 3.39Å; Q113-L125 HydrophobicContact CB-CB 3.99Å; Q113-L125 HydrophobicContact CB-CD2 4.29Å; Q113-L125 WeakPolarHBondContact O-CB 3.17Å; Q113-L125 PolarHBondContact O-N 3.5Å; Q113-W132 HydrophobicContact CG-CH2 4.29Å; Q113-W132 HydrophobicContact CG-CZ3 4.3Å; Q113-L155 HydrophobicContact CB-CD1 4.18Å; Q113-L155 HydrophobicContact CG-CD1 3.78Å; Q113-L155 HydrophobicContact CG-CD2 4.29Å
114Q98.5Very high98Very high79 Ų7962.1 Ų62.137%0.36933%0.328SS..EExtended strand (participates in β ladder)trans-148.7139.2-179.960-17357.400111.2M96 M97 I123 A124M96-Q114 WeakPolarHBondContact CA-O 3.33Å; M97-Q114 HydrophobicContact CB-CG 4.16Å; M97-Q114 VanDerWaalsContact CE-CD 3.45Å; M97-Q114 HydrophobicContact CE-CG 3.85Å; M97-Q114 PolarHBondContact N-O 3.19Å; M97-Q114 PolarHBondContact O-N 3.37Å; Q114-I123 WeakPolarHBondContact CA-O 3.11Å; Q114-A124 HydrophobicContact CB-CB 3.89Å
115D98.7Very high98.2Very high25 Ų2556.7 Ų56.713%0.13429%0.292CS..EExtended strand (participates in β ladder)trans-119.9144.3-175.9-55.96.3000108.9Q95 M96 Y122 I123 W146Q95-D115 CarbonylContact O-C 3.59Å; Q95-D115 VanDerWaalsContact O-CA 3.27Å; Q95-D115 WeakPolarHBondContact O-CA 3.16Å; M96-D115 WeakPolarHBondContact CG-OD1 3.45Å; D115-Y122 HydrophobicContact CB-CD1 4.44Å; D115-Y122 WeakPolarHBondContact O-CA 3.48Å; D115-Y122 WeakPolarHBondContact O-CB 3.47Å; D115-Y122 PolarHBondContact O-N 3.12Å; D115-I123 HydrophobicContact CB-CG2 4.15Å; D115-I123 PolarHBondContact N-O 3.36Å; D115-I123 PolarHBondContact O-N 3.21Å; D115-W146 WeakPolarHBondContact OD2-CH2 3.43Å
116A98.9Very high98.4Very high17 Ų1754.3 Ų54.314%0.1428%0.279CS..EExtended strand (participates in β ladder)trans-127.7145.6173.900000110.4I94 Q95 K120I94-A116 WeakPolarHBondContact CA-O 3.27Å; Q95-A116 HydrophobicContact CB-CB 4.34Å; Q95-A116 PolarHBondContact N-O 2.9Å; Q95-A116 PolarHBondContact O-N 3.13Å; A116-K120 CarbonylContact C-O 3.59Å; A116-K120 WeakPolarHBondContact CA-O 3.29Å; A116-K120 VanDerWaalsContact CB-O 3.24Å; A116-K120 WeakPolarHBondContact CB-O 3.33Å
117Y98.8Very high98.5Very high10 Ų1060 Ų604%0.03930%0.303CS..EExtended strand (participates in β ladder)trans-123.1127.2176-174.4-117000110.3L77 L80 Y84 Q86 H92 T93 I94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.34Å; L80-Y117 HydrophobicContact CB-CD2 4.12Å; L80-Y117 HydrophobicContact CB-CE1 4.2Å; L80-Y117 HydrophobicContact CB-CE2 3.74Å; L80-Y117 HydrophobicContact CB-CG 4.49Å; L80-Y117 HydrophobicContact CD1-CD2 3.4Å; L80-Y117 HydrophobicContact CD1-CE2 3.78Å; L80-Y117 HydrophobicContact CD1-CG 3.9Å; L80-Y117 HydrophobicContact CG-CD2 4.36Å; L80-Y117 HydrophobicContact CG-CE2 4.42Å; Y84-Y117 AromaticContact CD2-CD1 3.69Å; Y84-Y117 HydrophobicContact CD2-CD1 3.69Å; Y84-Y117 AromaticContact CD2-CE1 3.49Å; Y84-Y117 HydrophobicContact CD2-CE1 3.49Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.49Å; Y84-Y117 AromaticContact CE2-CD1 3.5Å; Y84-Y117 HydrophobicContact CE2-CD1 3.5Å; Y84-Y117 AromaticContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CG 4.41Å; Y84-Y117 HydrophobicContact CG-CE1 4.34Å; Q86-Y117 PolarHBondContact OE1-OH 2.88Å; H92-Y117 HydrophobicContact CB-CE2 3.91Å; H92-Y117 WeakPolarHBondContact CB-OH 3.36Å; H92-Y117 AromaticContact ND1-CZ 3.94Å; H92-Y117 PolarHBondContact ND1-OH 2.78Å; T93-Y117 CarbonylContact O-C 3.52Å; T93-Y117 WeakPolarHBondContact O-CA 3.46Å; T93-Y117 VanDerWaalsContact O-CD2 3.27Å; T93-Y117 WeakPolarHBondContact O-CD2 3.36Å; I94-Y117 HydrophobicContact CG1-CD2 3.94Å; I94-Y117 HydrophobicContact CG1-CE2 4.38Å; Y117-G119 PolarHBondContact O-N 2.96Å; Y117-K120 PolarHBondContact N-O 2.87Å; Y117-K120 PolarHBondContact O-N 2.86Å; Y117-K120 VanDerWaalsContact O-N 3.07Å
118D98.4Very high98.5Very high62 Ų6255.6 Ų55.633%0.33229%0.292SS..THydrogen-bonded Turntrans49.539.5-175.5-67.4-22.9000113.2Q86 H92 T93 K120Q86-D118 PolarHBondContact NE2-OD2 3.02Å; H92-D118 WeakPolarHBondContact CA-OD1 3.49Å; H92-D118 IonicContact CE1-OD2 2.99Å; H92-D118 IonicContact CG-OD1 3.78Å; H92-D118 IonicContact CG-OD2 3.64Å; H92-D118 IonicContact ND1-OD1 2.7Å; H92-D118 IonicContact ND1-OD2 2.95Å; H92-D118 PolarHBondContact ND1-OD2 2.92Å; T93-D118 PolarHBondContact N-OD1 2.89Å; T93-D118 PolarHBondContact O-N 3.28Å; D118-K120 VanDerWaalsContact C-N 3.33Å; D118-K120 PolarHBondContact O-N 2.84Å
119G97.9Very high98.5Very high58 Ų5853.4 Ų53.460%0.59828%0.28SS*.THydrogen-bonded Turntrans78.19.6177.300000115.3Y117Y117-G119 PolarHBondContact O-N 2.96Å
120K98.6Very high98.5Very high159 Ų15955.4 Ų55.469%0.69128%0.28SS*.EExtended strand (participates in β ladder)trans-115.9144.1175.6-62.7-179.9-177.8177.80110.6A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.59Å; A116-K120 WeakPolarHBondContact CA-O 3.29Å; A116-K120 VanDerWaalsContact CB-O 3.24Å; A116-K120 WeakPolarHBondContact CB-O 3.33Å; Y117-K120 PolarHBondContact N-O 2.87Å; Y117-K120 PolarHBondContact O-N 2.86Å; Y117-K120 VanDerWaalsContact O-N 3.07Å; D118-K120 VanDerWaalsContact C-N 3.33Å; D118-K120 PolarHBondContact O-N 2.84Å; K120-Y122 PolarHBondContact O-N 3.09Å
121D98.8Very high98.5Very high130 Ų13053 Ų5370%0.69528%0.277SS*.EExtended strand (participates in β ladder)trans-51134.5173.4-65.3-21.2000110.5A135D121-A135 HydrophobicContact CB-CB 4.42Å; D121-A135 WeakPolarHBondContact O-CB 3.37Å
122Y98.8Very high98.5Very high9 Ų953.4 Ų53.44%0.03528%0.277CS..EExtended strand (participates in β ladder)trans-113.5-64180179.7-110.2000110.3L80 Y84 D115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD2 4.35Å; L80-Y122 HydrophobicContact CD2-CE1 3.87Å; L80-Y122 HydrophobicContact CD2-CE2 3.57Å; L80-Y122 VanDerWaalsContact CD2-OH 3.27Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.4Å; Y84-Y122 HydrophobicContact CE2-CD2 4.43Å; Y84-Y122 HydrophobicContact CE2-CE2 4.14Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.3Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.46Å; D115-Y122 HydrophobicContact CB-CD1 4.44Å; D115-Y122 WeakPolarHBondContact O-CA 3.48Å; D115-Y122 WeakPolarHBondContact O-CB 3.47Å; D115-Y122 PolarHBondContact O-N 3.12Å; K120-Y122 PolarHBondContact O-N 3.09Å; Y122-A135 WeakPolarHBondContact O-CB 3.28Å; Y122-A135 PolarHBondContact O-N 3.08Å; Y122-A138 PolarHBondContact OH-O 2.96Å; Y122-A139 HydrophobicContact CD2-CB 3.81Å; Y122-A139 HydrophobicContact CE1-CB 4.46Å; Y122-A139 VanDerWaalsContact CE2-CA 3.48Å; Y122-A139 HydrophobicContact CE2-CB 3.65Å; Y122-A139 HydrophobicContact CG-CB 4.27Å; Y122-A139 WeakPolarHBondContact O-CB 3.46Å; Y122-T142 HydrophobicContact CE1-CG2 4.18Å; Y122-T142 WeakPolarHBondContact OH-CB 3.47Å; Y122-T142 PolarHBondContact OH-OG1 2.82Å
123I98.8Very high98.6Very high3 Ų355.4 Ų55.42%0.01529%0.293CS..EExtended strand (participates in β ladder)trans-147.9141.6178-162.8171.8000110.3Q114 D115 W132 T133 T142 Q143 W146Q114-I123 WeakPolarHBondContact CA-O 3.11Å; D115-I123 HydrophobicContact CB-CG2 4.15Å; D115-I123 PolarHBondContact N-O 3.36Å; D115-I123 PolarHBondContact O-N 3.21Å; I123-W132 HydrophobicContact CD1-CB 4.28Å; I123-W132 HydrophobicContact CD1-CD2 4.37Å; I123-W132 HydrophobicContact CD1-CE3 4.17Å; I123-W132 HydrophobicContact CD1-CG 4.44Å; I123-W132 HydrophobicContact CG1-CB 4.34Å; I123-W132 HydrophobicContact CG1-CE3 4Å; I123-T133 WeakPolarHBondContact CA-O 3.34Å; I123-T142 HydrophobicContact CD1-CG2 4.28Å; I123-Q143 HydrophobicContact CD1-CB 3.87Å; I123-W146 HydrophobicContact CD1-CE3 4.1Å; I123-W146 HydrophobicContact CD1-CZ3 4.38Å; I123-W146 HydrophobicContact CG2-CE3 4.5Å; I123-W146 HydrophobicContact CG2-CH2 4.08Å; I123-W146 HydrophobicContact CG2-CZ3 3.77Å
124A98.9Very high98.6Very high29 Ų2955.7 Ų55.724%0.2430%0.299CS..EExtended strand (participates in β ladder)trans-134.7138.8178.900000111.7Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.89Å; A124-W132 CarbonylContact O-C 3.59Å; A124-W132 WeakPolarHBondContact O-CA 3.35Å; A124-T133 PolarHBondContact N-O 2.92Å; A124-T133 PolarHBondContact O-N 3.29Å
125L98.9Very high98.6Very high14 Ų1454.8 Ų54.87%0.07331%0.305CS..EExtended strand (participates in β ladder)trans-71.8125.8168.9-175.267.3000108.4Q113 L129 W132 A152 L155 L159Q113-L125 HydrophobicContact CB-CB 3.99Å; Q113-L125 HydrophobicContact CB-CD2 4.29Å; Q113-L125 WeakPolarHBondContact O-CB 3.17Å; Q113-L125 PolarHBondContact O-N 3.5Å; L125-L129 HydrophobicContact CD2-CB 4.42Å; L125-L129 HydrophobicContact CD2-CD2 3.75Å; L125-L129 HydrophobicContact CG-CD2 4.31Å; L125-W132 HydrophobicContact CB-CE3 4.04Å; L125-W132 HydrophobicContact CB-CH2 4.12Å; L125-W132 HydrophobicContact CB-CZ3 3.65Å; L125-W132 HydrophobicContact CD1-CD2 4.22Å; L125-W132 HydrophobicContact CD1-CE3 4.28Å; L125-W132 HydrophobicContact CD1-CH2 4.03Å; L125-W132 HydrophobicContact CD1-CZ2 3.95Å; L125-W132 HydrophobicContact CD1-CZ3 4.17Å; L125-W132 HydrophobicContact CG-CZ3 4.5Å; L125-A152 HydrophobicContact CD1-CB 3.9Å; L125-L155 HydrophobicContact CD2-CB 4.17Å; L125-L155 HydrophobicContact CD2-CD1 4.4Å; L125-L159 HydrophobicContact CD2-CD1 3.92Å
126N98.7Very high98.5Very high44 Ų4456.2 Ų56.224%0.23531%0.312CS..  trans-69.8162.9179.7-67.8-29.4000111.2D128 L129 S131 T133N126-D128 PolarHBondContact O-N 2.8Å; N126-L129 PolarHBondContact O-N 2.98Å; N126-S131 WeakPolarHBondContact CB-O 3.38Å; N126-S131 WeakPolarHBondContact CB-OG 3.44Å; N126-S131 PolarHBondContact N-O 2.62Å; N126-S131 PolarHBondContact ND2-OG 3.15Å; N126-T133 WeakPolarHBondContact OD1-CB 3.48Å; N126-T133 PolarHBondContact OD1-OG1 3.24Å
127E98.1Very high98.5Very high131 Ų13161.5 Ų61.561%0.61234%0.336SS*.THydrogen-bonded Turntrans-58.5-22.1-179.5-67.3-179.9-159.500113.8R110 L129R110-E127 IonicContact CZ-OE1 2.79Å; R110-E127 IonicContact NH1-OE1 3.2Å; R110-E127 PolarHBondContact NH1-OE1 2.9Å; R110-E127 IonicContact NH1-OE2 2.77Å; R110-E127 IonicContact NH2-OE1 3.1Å; R110-E127 PolarHBondContact NH2-OE1 2.87Å; E127-L129 PolarHBondContact O-N 3Å
128D98.1Very high98.5Very high77 Ų7761.5 Ų61.541%0.41234%0.338SS..THydrogen-bonded Turntrans-71.4-8.5174.969.65000113.8N126 R130 S131N126-D128 PolarHBondContact O-N 2.8Å; D128-R130 WeakPolarHBondContact O-CG 3.42Å; D128-R130 PolarHBondContact O-N 2.99Å; D128-R130 PolarHBondContact OD1-N 3.44Å; D128-S131 VanDerWaalsContact CG-OG 3.25Å; D128-S131 PolarHBondContact OD1-N 2.92Å; D128-S131 PolarHBondContact OD1-OG 3.3Å; D128-S131 VanDerWaalsContact OD1-OG 3.14Å; D128-S131 WeakPolarHBondContact OD2-CB 3.08Å; D128-S131 PolarHBondContact OD2-OG 2.85Å
129L98.4Very high98.5Very high8 Ų858.6 Ų58.64%0.04232%0.322CS..SBendtrans54.128.4-175.3-53.3-178.5000113.6L108 L125 N126 E127 R156 L159 E160L108-L129 HydrophobicContact CD2-CD1 4.14Å; L125-L129 HydrophobicContact CD2-CB 4.42Å; L125-L129 HydrophobicContact CD2-CD2 3.75Å; L125-L129 HydrophobicContact CG-CD2 4.31Å; N126-L129 PolarHBondContact O-N 2.98Å; E127-L129 PolarHBondContact O-N 3Å; L129-R156 HydrophobicContact CB-CB 4.06Å; L129-R156 HydrophobicContact CB-CG 3.83Å; L129-R156 HydrophobicContact CD1-CG 4.19Å; L129-L159 HydrophobicContact CD1-CB 4.48Å; L129-L159 HydrophobicContact CD2-CD1 3.93Å; L129-E160 HydrophobicContact CD1-CG 4.21Å
130R98Very high98.5Very high158 Ų15858.7 Ų58.760%0.59631%0.307SS*.SBendtrans-136.1-31.8-173.5-70.7169.3-175.1-91.313.4112.9D128 A152 R156D128-R130 WeakPolarHBondContact O-CG 3.42Å; D128-R130 PolarHBondContact O-N 2.99Å; D128-R130 PolarHBondContact OD1-N 3.44Å; R130-A152 WeakPolarHBondContact O-CB 3.34Å; R130-R156 VanDerWaalsContact CZ-NH1 3.26Å
131S98.3Very high98.5Very high41 Ų4154 Ų5429%0.28729%0.289SS..  trans-116.8164.3-177.2650000111.8N126 D128N126-S131 WeakPolarHBondContact CB-O 3.38Å; N126-S131 WeakPolarHBondContact CB-OG 3.44Å; N126-S131 PolarHBondContact N-O 2.62Å; N126-S131 PolarHBondContact ND2-OG 3.15Å; D128-S131 VanDerWaalsContact CG-OG 3.25Å; D128-S131 PolarHBondContact OD1-N 2.92Å; D128-S131 PolarHBondContact OD1-OG 3.3Å; D128-S131 VanDerWaalsContact OD1-OG 3.14Å; D128-S131 WeakPolarHBondContact OD2-CB 3.08Å; D128-S131 PolarHBondContact OD2-OG 2.85Å
132W98.8Very high98.5Very high13 Ų1348.6 Ų48.65%0.04926%0.26CS..EExtended strand (participates in β ladder)trans-119.6145.9-176.1-61.195.6000110.9Q113 I123 A124 L125 Q143 W146 V151 A152 L155Q113-W132 HydrophobicContact CG-CH2 4.29Å; Q113-W132 HydrophobicContact CG-CZ3 4.3Å; I123-W132 HydrophobicContact CD1-CB 4.28Å; I123-W132 HydrophobicContact CD1-CD2 4.37Å; I123-W132 HydrophobicContact CD1-CE3 4.17Å; I123-W132 HydrophobicContact CD1-CG 4.44Å; I123-W132 HydrophobicContact CG1-CB 4.34Å; I123-W132 HydrophobicContact CG1-CE3 4Å; A124-W132 CarbonylContact O-C 3.59Å; A124-W132 WeakPolarHBondContact O-CA 3.35Å; L125-W132 HydrophobicContact CB-CE3 4.04Å; L125-W132 HydrophobicContact CB-CH2 4.12Å; L125-W132 HydrophobicContact CB-CZ3 3.65Å; L125-W132 HydrophobicContact CD1-CD2 4.22Å; L125-W132 HydrophobicContact CD1-CE3 4.28Å; L125-W132 HydrophobicContact CD1-CH2 4.03Å; L125-W132 HydrophobicContact CD1-CZ2 3.95Å; L125-W132 HydrophobicContact CD1-CZ3 4.17Å; L125-W132 HydrophobicContact CG-CZ3 4.5Å; W132-Q143 HydrophobicContact CB-CG 4.04Å; W132-W146 HydrophobicContact CD2-CE3 4.01Å; W132-W146 AromaticContact CE2-CE3 3.78Å; W132-W146 AromaticContact CE3-CE3 3.85Å; W132-W146 HydrophobicContact CE3-CE3 3.85Å; W132-W146 AromaticContact CE3-CZ3 3.95Å; W132-W146 HydrophobicContact CE3-CZ3 3.95Å; W132-W146 HydrophobicContact CH2-CD2 4.39Å; W132-W146 AromaticContact CH2-CE3 3.21Å; W132-W146 HydrophobicContact CH2-CE3 3.21Å; W132-W146 HydrophobicContact CH2-CH2 4.42Å; W132-W146 AromaticContact CH2-CZ3 3.24Å; W132-W146 HydrophobicContact CH2-CZ3 3.24Å; W132-W146 HydrophobicContact CZ2-CD2 4.31Å; W132-W146 AromaticContact CZ2-CE3 3.4Å; W132-W146 HydrophobicContact CZ2-CE3 3.4Å; W132-W146 AromaticContact CZ2-CZ3 3.95Å; W132-W146 HydrophobicContact CZ2-CZ3 3.95Å; W132-W146 AromaticContact CZ3-CE3 3.49Å; W132-W146 HydrophobicContact CZ3-CE3 3.49Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.49Å; W132-W146 AromaticContact CZ3-CZ3 3.26Å; W132-W146 HydrophobicContact CZ3-CZ3 3.26Å; W132-V151 HydrophobicContact CH2-CG1 4.48Å; W132-V151 HydrophobicContact CZ2-CB 4.29Å; W132-V151 HydrophobicContact CZ2-CG1 4.09Å; W132-A152 HydrophobicContact CZ2-CB 4.16Å; W132-L155 HydrophobicContact CH2-CD1 3.35Å; W132-L155 HydrophobicContact CZ2-CD1 3.82Å; W132-L155 HydrophobicContact CZ3-CD1 4.47Å
133T98.8Very high98.5Very high80 Ų8050 Ų5049%0.49127%0.267SS..EExtended strand (participates in β ladder)trans-107.9116.1163.6-66.60000108.6I123 A124 N126I123-T133 WeakPolarHBondContact CA-O 3.34Å; A124-T133 PolarHBondContact N-O 2.92Å; A124-T133 PolarHBondContact O-N 3.29Å; N126-T133 WeakPolarHBondContact OD1-CB 3.48Å; N126-T133 PolarHBondContact OD1-OG1 3.24Å
134A98.7Very high98.5Very high23 Ų2356.9 Ų56.919%0.1929%0.293CS..EExtended strand (participates in β ladder)trans-96132.5174.600000110.3A139 Q140 Q143A134-A139 HydrophobicContact CB-CB 3.74Å; A134-Q140 HydrophobicContact CB-CG 3.96Å; A134-Q143 HydrophobicContact CB-CB 4.41Å
135A98.5Very high98.5Very high59 Ų5960.9 Ų60.949%0.48831%0.305SS..SBendtrans-74.1-30.8-175.400000113.4D121 Y122D121-A135 HydrophobicContact CB-CB 4.42Å; D121-A135 WeakPolarHBondContact O-CB 3.37Å; Y122-A135 WeakPolarHBondContact O-CB 3.28Å; Y122-A135 PolarHBondContact O-N 3.08Å
136D98.3Very high98.4Very high55 Ų5562.8 Ų62.829%0.29431%0.312SS..SBendtrans-151.9-176.1-178.56728.4000113.2Y84 A138 A139 Q140Y84-D136 WeakPolarHBondContact CE1-OD2 3.47Å; Y84-D136 VanDerWaalsContact OH-CG 3.27Å; Y84-D136 PolarHBondContact OH-OD1 2.93Å; Y84-D136 PolarHBondContact OH-OD2 2.84Å; D136-A138 VanDerWaalsContact C-N 3.27Å; D136-A138 PolarHBondContact O-N 3.1Å; D136-A138 WeakPolarHBondContact OD1-CA 3.37Å; D136-A138 WeakPolarHBondContact OD1-CB 3.49Å; D136-A138 PolarHBondContact OD1-N 3.34Å; D136-A139 PolarHBondContact O-N 3.16Å; D136-A139 PolarHBondContact OD1-N 3.47Å; D136-Q140 WeakPolarHBondContact O-CG 3.23Å; D136-Q140 PolarHBondContact O-N 3Å
137M98.1Very high98.4Very high129 Ų12965.3 Ų65.364%0.63532%0.322SS*.Hα-helixtrans-63.9-28.3-179.8-66.5-58.1-57.800113.7Q140M137-Q140 PolarHBondContact SD-OE1 3.05Å; M137-Q140 VanDerWaalsContact SD-OE1 3.39Å
138A98Very high98.5Very high10 Ų1063.2 Ų63.28%0.08333%0.327CS..Hα-helixtrans-73.8-43.217600000110.3Y84 Y122 D136 Q140 I141Y84-A138 HydrophobicContact CD1-CB 4.25Å; Y84-A138 HydrophobicContact CD2-CB 4.49Å; Y84-A138 HydrophobicContact CE1-CB 3.67Å; Y84-A138 HydrophobicContact CE2-CB 3.94Å; Y84-A138 VanDerWaalsContact CZ-CB 3.49Å; Y122-A138 PolarHBondContact OH-O 2.96Å; D136-A138 VanDerWaalsContact C-N 3.27Å; D136-A138 PolarHBondContact O-N 3.1Å; D136-A138 WeakPolarHBondContact OD1-CA 3.37Å; D136-A138 WeakPolarHBondContact OD1-CB 3.49Å; D136-A138 PolarHBondContact OD1-N 3.34Å; A138-Q140 VanDerWaalsContact C-N 3.28Å; A138-Q140 PolarHBondContact O-N 3.4Å; A138-I141 WeakPolarHBondContact O-CB 3.2Å; A138-I141 PolarHBondContact O-N 3.08Å; A138-I141 VanDerWaalsContact O-N 3.08Å
139A98.5Very high98.5Very high0 Ų062.4 Ų62.40%033%0.331CS..Hα-helixtrans-61.6-33.6173.400000113.1Y122 A134 D136 I141 T142 Q143Y122-A139 HydrophobicContact CD2-CB 3.81Å; Y122-A139 HydrophobicContact CE1-CB 4.46Å; Y122-A139 VanDerWaalsContact CE2-CA 3.48Å; Y122-A139 HydrophobicContact CE2-CB 3.65Å; Y122-A139 HydrophobicContact CG-CB 4.27Å; Y122-A139 WeakPolarHBondContact O-CB 3.46Å; A134-A139 HydrophobicContact CB-CB 3.74Å; D136-A139 PolarHBondContact O-N 3.16Å; D136-A139 PolarHBondContact OD1-N 3.47Å; A139-I141 PolarHBondContact O-N 2.93Å; A139-T142 WeakPolarHBondContact O-CB 3.49Å; A139-T142 PolarHBondContact O-N 2.84Å; A139-T142 VanDerWaalsContact O-N 3.08Å; A139-Q143 PolarHBondContact O-N 2.9Å
140Q98.7Very high98.5Very high60 Ų6069.4 Ų69.428%0.2836%0.356SS..Hα-helixtrans-61-26.9173.7-74176.418.900113.2A134 D136 M137 A138 R144A134-Q140 HydrophobicContact CB-CG 3.96Å; D136-Q140 WeakPolarHBondContact O-CG 3.23Å; D136-Q140 PolarHBondContact O-N 3Å; M137-Q140 PolarHBondContact SD-OE1 3.05Å; M137-Q140 VanDerWaalsContact SD-OE1 3.39Å; A138-Q140 VanDerWaalsContact C-N 3.28Å; A138-Q140 PolarHBondContact O-N 3.4Å; Q140-R144 VanDerWaalsContact O-CG 3.3Å; Q140-R144 WeakPolarHBondContact O-CG 3.42Å; Q140-R144 PolarHBondContact O-N 3.33Å; Q140-R144 VanDerWaalsContact O-N 3.1Å
141I98.5Very high98.5Very high61 Ų6163.2 Ų63.231%0.31334%0.336SS..Hα-helixtrans-66.6-45174.8-56.5171.2000109.5Y83 A138 A139 R144 K145Y83-I141 HydrophobicContact CD1-CD1 4.09Å; Y83-I141 HydrophobicContact CD2-CD1 4.46Å; Y83-I141 HydrophobicContact CE1-CD1 4.2Å; Y83-I141 HydrophobicContact CE1-CG2 4.09Å; Y83-I141 HydrophobicContact CE2-CB 4.06Å; Y83-I141 HydrophobicContact CE2-CG2 4.02Å; Y83-I141 HydrophobicContact CG-CD1 4.22Å; Y83-I141 VanDerWaalsContact OH-CG2 3.3Å; Y83-I141 WeakPolarHBondContact OH-CG2 3.37Å; A138-I141 WeakPolarHBondContact O-CB 3.2Å; A138-I141 PolarHBondContact O-N 3.08Å; A138-I141 VanDerWaalsContact O-N 3.08Å; A139-I141 PolarHBondContact O-N 2.93Å; I141-R144 PolarHBondContact O-N 3.49Å; I141-K145 WeakPolarHBondContact O-CG 3.33Å; I141-K145 PolarHBondContact O-N 3.33Å
142T98.5Very high98.5Very high16 Ų1661.7 Ų61.710%0.09833%0.326CS..Hα-helixtrans-65.4-44.1175.8-64.50000111.3Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.18Å; Y122-T142 WeakPolarHBondContact OH-CB 3.47Å; Y122-T142 PolarHBondContact OH-OG1 2.82Å; I123-T142 HydrophobicContact CD1-CG2 4.28Å; A139-T142 WeakPolarHBondContact O-CB 3.49Å; A139-T142 PolarHBondContact O-N 2.84Å; A139-T142 VanDerWaalsContact O-N 3.08Å; T142-R144 VanDerWaalsContact C-N 3.34Å; T142-R144 PolarHBondContact O-N 3.1Å; T142-K145 WeakPolarHBondContact O-CB 3.45Å; T142-K145 PolarHBondContact O-N 2.94Å; T142-K145 VanDerWaalsContact O-N 3.09Å; T142-W146 HydrophobicContact CG2-CD2 3.89Å; T142-W146 HydrophobicContact CG2-CE3 4.43Å; T142-W146 HydrophobicContact CG2-CG 4.19Å; T142-W146 HydrophobicContact CG2-CZ2 4.05Å; T142-W146 WeakPolarHBondContact O-CB 3.4Å; T142-W146 PolarHBondContact O-N 3.02Å
143Q98.7Very high98.5Very high38 Ų3866.4 Ų66.418%0.17835%0.349CS..Hα-helixtrans-51.4-51.5174.7178175.88.400111.8I123 W132 A134 A139 K145 W146 E147I123-Q143 HydrophobicContact CD1-CB 3.87Å; W132-Q143 HydrophobicContact CB-CG 4.04Å; A134-Q143 HydrophobicContact CB-CB 4.41Å; A139-Q143 PolarHBondContact O-N 2.9Å; Q143-K145 VanDerWaalsContact C-N 3.3Å; Q143-K145 PolarHBondContact O-N 3.39Å; Q143-W146 PolarHBondContact O-N 3.29Å; Q143-W146 VanDerWaalsContact O-N 3.15Å; Q143-E147 HydrophobicContact CG-CG 4.28Å; Q143-E147 VanDerWaalsContact CG-OE1 3.3Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.33Å; Q143-E147 PolarHBondContact NE2-OE1 3.39Å; Q143-E147 WeakPolarHBondContact O-CB 3.3Å; Q143-E147 WeakPolarHBondContact O-CG 3.42Å; Q143-E147 PolarHBondContact O-N 3.34Å
144R98.7Very high98.4Very high148 Ų14869 Ų6956%0.55836%0.355SS*.Hα-helixtrans-60.3-39.2179.7-69.8170.2-165.31528.9112.5Q140 I141 T142 A148Q140-R144 VanDerWaalsContact O-CG 3.3Å; Q140-R144 WeakPolarHBondContact O-CG 3.42Å; Q140-R144 PolarHBondContact O-N 3.33Å; Q140-R144 VanDerWaalsContact O-N 3.1Å; I141-R144 PolarHBondContact O-N 3.49Å; T142-R144 VanDerWaalsContact C-N 3.34Å; T142-R144 PolarHBondContact O-N 3.1Å; R144-A148 WeakPolarHBondContact O-CB 3.02Å; R144-A148 PolarHBondContact O-N 2.79Å
145K98.4Very high98.4Very high114 Ų11469.3 Ų69.350%0.49635%0.354SS..Hα-helixtrans-64.8-45.3175.9-71.6175170.1-174.70111.1Y83 I141 T142 Q143 A148 A149Y83-K145 WeakPolarHBondContact OH-CE 3.44Å; Y83-K145 PolarHBondContact OH-NZ 3.29Å; I141-K145 WeakPolarHBondContact O-CG 3.33Å; I141-K145 PolarHBondContact O-N 3.33Å; T142-K145 WeakPolarHBondContact O-CB 3.45Å; T142-K145 PolarHBondContact O-N 2.94Å; T142-K145 VanDerWaalsContact O-N 3.09Å; Q143-K145 VanDerWaalsContact C-N 3.3Å; Q143-K145 PolarHBondContact O-N 3.39Å; K145-A148 PolarHBondContact O-N 3.1Å; K145-A149 WeakPolarHBondContact O-CB 2.98Å; K145-A149 PolarHBondContact O-N 3.03Å
146W98.5Very high98.4Very high54 Ų5469.7 Ų69.721%0.20534%0.342CS..Hα-helixtrans-69.8-36-178.1-76.512000112.6D115 I123 W132 T142 Q143 A149 R150 V151D115-W146 WeakPolarHBondContact OD2-CH2 3.43Å; I123-W146 HydrophobicContact CD1-CE3 4.1Å; I123-W146 HydrophobicContact CD1-CZ3 4.38Å; I123-W146 HydrophobicContact CG2-CE3 4.5Å; I123-W146 HydrophobicContact CG2-CH2 4.08Å; I123-W146 HydrophobicContact CG2-CZ3 3.77Å; W132-W146 HydrophobicContact CD2-CE3 4.01Å; W132-W146 AromaticContact CE2-CE3 3.78Å; W132-W146 AromaticContact CE3-CE3 3.85Å; W132-W146 HydrophobicContact CE3-CE3 3.85Å; W132-W146 AromaticContact CE3-CZ3 3.95Å; W132-W146 HydrophobicContact CE3-CZ3 3.95Å; W132-W146 HydrophobicContact CH2-CD2 4.39Å; W132-W146 AromaticContact CH2-CE3 3.21Å; W132-W146 HydrophobicContact CH2-CE3 3.21Å; W132-W146 HydrophobicContact CH2-CH2 4.42Å; W132-W146 AromaticContact CH2-CZ3 3.24Å; W132-W146 HydrophobicContact CH2-CZ3 3.24Å; W132-W146 HydrophobicContact CZ2-CD2 4.31Å; W132-W146 AromaticContact CZ2-CE3 3.4Å; W132-W146 HydrophobicContact CZ2-CE3 3.4Å; W132-W146 AromaticContact CZ2-CZ3 3.95Å; W132-W146 HydrophobicContact CZ2-CZ3 3.95Å; W132-W146 AromaticContact CZ3-CE3 3.49Å; W132-W146 HydrophobicContact CZ3-CE3 3.49Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.49Å; W132-W146 AromaticContact CZ3-CZ3 3.26Å; W132-W146 HydrophobicContact CZ3-CZ3 3.26Å; T142-W146 HydrophobicContact CG2-CD2 3.89Å; T142-W146 HydrophobicContact CG2-CE3 4.43Å; T142-W146 HydrophobicContact CG2-CG 4.19Å; T142-W146 HydrophobicContact CG2-CZ2 4.05Å; T142-W146 WeakPolarHBondContact O-CB 3.4Å; T142-W146 PolarHBondContact O-N 3.02Å; Q143-W146 PolarHBondContact O-N 3.29Å; Q143-W146 VanDerWaalsContact O-N 3.15Å; W146-A149 CarbonylContact O-C 3.45Å; W146-A149 PolarHBondContact O-N 3.38Å; W146-R150 WeakPolarHBondContact O-CA 3.41Å; W146-R150 PolarHBondContact O-N 3.13Å; W146-V151 HydrophobicContact CB-CB 3.98Å; W146-V151 HydrophobicContact CB-CG2 3.91Å; W146-V151 HydrophobicContact CD2-CB 4.45Å; W146-V151 HydrophobicContact CD2-CG1 4.25Å; W146-V151 HydrophobicContact CE3-CG1 4.47Å; W146-V151 HydrophobicContact CG-CB 4.11Å; W146-V151 HydrophobicContact CG-CG1 4.39Å; W146-V151 HydrophobicContact CG-CG2 3.86Å; W146-V151 PolarHBondContact O-N 2.96Å
147E98.6Very high98.4Very high97 Ų9770.1 Ų70.145%0.45335%0.354SS..Hα-helixtrans-64.3-47.7171.3-73.9171.4174.600111.3Q143 A149 R150Q143-E147 HydrophobicContact CG-CG 4.28Å; Q143-E147 VanDerWaalsContact CG-OE1 3.3Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.33Å; Q143-E147 PolarHBondContact NE2-OE1 3.39Å; Q143-E147 WeakPolarHBondContact O-CB 3.3Å; Q143-E147 WeakPolarHBondContact O-CG 3.42Å; Q143-E147 PolarHBondContact O-N 3.34Å; E147-A149 VanDerWaalsContact C-N 3.27Å; E147-A149 PolarHBondContact O-N 3.14Å; E147-R150 PolarHBondContact O-N 2.89Å; E147-R150 VanDerWaalsContact O-N 3.08Å
148A98.5Very high98.5Very high87 Ų8766.9 Ų66.972%0.71934%0.335SS*.Hα-helixtrans-61.2-36.2177.200000112.6R144 K145R144-A148 WeakPolarHBondContact O-CB 3.02Å; R144-A148 PolarHBondContact O-N 2.79Å; K145-A148 PolarHBondContact O-N 3.1Å
149A98.4Very high98.5Very high59 Ų5966.4 Ų66.449%0.48833%0.331SS..THydrogen-bonded Turntrans-87.70.4177.200000114.1K145 W146 E147 V151K145-A149 WeakPolarHBondContact O-CB 2.98Å; K145-A149 PolarHBondContact O-N 3.03Å; W146-A149 CarbonylContact O-C 3.45Å; W146-A149 PolarHBondContact O-N 3.38Å; E147-A149 VanDerWaalsContact C-N 3.27Å; E147-A149 PolarHBondContact O-N 3.14Å; A149-V151 VanDerWaalsContact C-N 3.27Å; A149-V151 HydrophobicContact CB-CG2 4.03Å; A149-V151 PolarHBondContact O-N 3.29Å
150R98.2Very high98.5Very high155 Ų15570.7 Ų70.759%0.58535%0.351SS*.THydrogen-bonded Turntrans52.639.6-178.2-58.7178.8172.3-143.45.7113.9W146 E147 A152 E153W146-R150 WeakPolarHBondContact O-CA 3.41Å; W146-R150 PolarHBondContact O-N 3.13Å; E147-R150 PolarHBondContact O-N 2.89Å; E147-R150 VanDerWaalsContact O-N 3.08Å; R150-A152 PolarHBondContact O-N 3.23Å; R150-E153 HydrophobicContact CB-CG 4.29Å; R150-E153 WeakPolarHBondContact CD-OE1 3.45Å; R150-E153 IonicContact CZ-OE1 3.93Å; R150-E153 IonicContact NE-OE1 2.67Å; R150-E153 IonicContact NH1-OE1 3.28Å; R150-E153 PolarHBondContact NH1-OE1 3.45Å; R150-E153 VanDerWaalsContact NH1-OE1 3.15Å; R150-E153 IonicContact NH1-OE2 3.51Å; R150-E153 PolarHBondContact O-N 2.79Å; R150-E153 VanDerWaalsContact O-N 3.1Å
151V98.6Very high98.5Very high29 Ų2968.8 Ų68.818%0.17635%0.347CS..Hα-helixtrans-58.9-35.6-177.4176.60000111.9W132 W146 A149 E153 Q154 L155W132-V151 HydrophobicContact CH2-CG1 4.48Å; W132-V151 HydrophobicContact CZ2-CB 4.29Å; W132-V151 HydrophobicContact CZ2-CG1 4.09Å; W146-V151 HydrophobicContact CB-CB 3.98Å; W146-V151 HydrophobicContact CB-CG2 3.91Å; W146-V151 HydrophobicContact CD2-CB 4.45Å; W146-V151 HydrophobicContact CD2-CG1 4.25Å; W146-V151 HydrophobicContact CE3-CG1 4.47Å; W146-V151 HydrophobicContact CG-CB 4.11Å; W146-V151 HydrophobicContact CG-CG1 4.39Å; W146-V151 HydrophobicContact CG-CG2 3.86Å; W146-V151 PolarHBondContact O-N 2.96Å; A149-V151 VanDerWaalsContact C-N 3.27Å; A149-V151 HydrophobicContact CB-CG2 4.03Å; A149-V151 PolarHBondContact O-N 3.29Å; V151-E153 VanDerWaalsContact C-N 3.28Å; V151-E153 PolarHBondContact O-N 2.89Å; V151-Q154 PolarHBondContact O-N 3.15Å; V151-Q154 VanDerWaalsContact O-N 3.15Å; V151-L155 HydrophobicContact CG1-CD1 3.86Å; V151-L155 HydrophobicContact CG1-CG 4.29Å; V151-L155 PolarHBondContact O-N 3.31Å; V151-L155 VanDerWaalsContact O-N 3.08Å
152A98.6Very high98.5Very high8 Ų868.7 Ų68.77%0.06635%0.349CS..Hα-helixtrans-59.4-35.7177.800000113L125 R130 W132 R150 Q154 L155 R156L125-A152 HydrophobicContact CD1-CB 3.9Å; R130-A152 WeakPolarHBondContact O-CB 3.34Å; W132-A152 HydrophobicContact CZ2-CB 4.16Å; R150-A152 PolarHBondContact O-N 3.23Å; A152-Q154 VanDerWaalsContact C-N 3.33Å; A152-Q154 PolarHBondContact O-N 3.26Å; A152-L155 PolarHBondContact O-N 3.31Å; A152-R156 WeakPolarHBondContact O-CB 3.42Å; A152-R156 PolarHBondContact O-N 2.88Å
153E98.3Very high98.5Very high113 Ų11367.9 Ų67.953%0.52835%0.345SS..Hα-helixtrans-65.2-38.5178.2-64.8178.1-168.100111.4R150 V151 A157R150-E153 HydrophobicContact CB-CG 4.29Å; R150-E153 WeakPolarHBondContact CD-OE1 3.45Å; R150-E153 IonicContact CZ-OE1 3.93Å; R150-E153 IonicContact NE-OE1 2.67Å; R150-E153 IonicContact NH1-OE1 3.28Å; R150-E153 PolarHBondContact NH1-OE1 3.45Å; R150-E153 VanDerWaalsContact NH1-OE1 3.15Å; R150-E153 IonicContact NH1-OE2 3.51Å; R150-E153 PolarHBondContact O-N 2.79Å; R150-E153 VanDerWaalsContact O-N 3.1Å; V151-E153 VanDerWaalsContact C-N 3.28Å; V151-E153 PolarHBondContact O-N 2.89Å; E153-A157 PolarHBondContact O-N 2.88Å; E153-A157 VanDerWaalsContact O-N 3.09Å
154Q97.8Very high98.5Very high134 Ų13466.4 Ų66.463%0.62634%0.338SS*.Hα-helixtrans-69.4-45.6178.3-58.8179.125.300111.4V151 A152 R156 A157 Y158V151-Q154 PolarHBondContact O-N 3.15Å; V151-Q154 VanDerWaalsContact O-N 3.15Å; A152-Q154 VanDerWaalsContact C-N 3.33Å; A152-Q154 PolarHBondContact O-N 3.26Å; Q154-R156 VanDerWaalsContact C-N 3.34Å; Q154-R156 PolarHBondContact O-N 2.86Å; Q154-A157 PolarHBondContact O-N 2.93Å; Q154-Y158 PolarHBondContact O-N 3.27Å; Q154-Y158 VanDerWaalsContact O-N 3.09Å
155L98.4Very high98.5Very high30 Ų3065.5 Ų65.516%0.15734%0.34CS..Hα-helixtrans-63.4-42.1177.2-71.4168000111.3Q113 L125 W132 V151 A152 A157 Y158 L159Q113-L155 HydrophobicContact CB-CD1 4.18Å; Q113-L155 HydrophobicContact CG-CD1 3.78Å; Q113-L155 HydrophobicContact CG-CD2 4.29Å; L125-L155 HydrophobicContact CD2-CB 4.17Å; L125-L155 HydrophobicContact CD2-CD1 4.4Å; W132-L155 HydrophobicContact CH2-CD1 3.35Å; W132-L155 HydrophobicContact CZ2-CD1 3.82Å; W132-L155 HydrophobicContact CZ3-CD1 4.47Å; V151-L155 HydrophobicContact CG1-CD1 3.86Å; V151-L155 HydrophobicContact CG1-CG 4.29Å; V151-L155 PolarHBondContact O-N 3.31Å; V151-L155 VanDerWaalsContact O-N 3.08Å; A152-L155 PolarHBondContact O-N 3.31Å; L155-A157 VanDerWaalsContact C-N 3.33Å; L155-A157 PolarHBondContact O-N 2.79Å; L155-Y158 PolarHBondContact O-N 2.87Å; L155-L159 WeakPolarHBondContact O-CB 3.39Å; L155-L159 WeakPolarHBondContact O-CG 3.12Å; L155-L159 PolarHBondContact O-N 2.7Å
156R98.6Very high98.5Very high67 Ų6763.8 Ų63.825%0.25333%0.331SS..Hα-helixtrans-59.4-44.3175.5-175.8171.4178.4-123.9-11.7112L129 R130 A152 Q154 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.06Å; L129-R156 HydrophobicContact CB-CG 3.83Å; L129-R156 HydrophobicContact CD1-CG 4.19Å; R130-R156 VanDerWaalsContact CZ-NH1 3.26Å; A152-R156 WeakPolarHBondContact O-CB 3.42Å; A152-R156 PolarHBondContact O-N 2.88Å; Q154-R156 VanDerWaalsContact C-N 3.34Å; Q154-R156 PolarHBondContact O-N 2.86Å; R156-Y158 VanDerWaalsContact C-N 3.32Å; R156-Y158 PolarHBondContact O-N 2.88Å; R156-L159 PolarHBondContact O-N 3.15Å; R156-E160 HydrophobicContact CG-CG 4.11Å; R156-E160 IonicContact CZ-OE1 3.55Å; R156-E160 VanDerWaalsContact CZ-OE1 3.23Å; R156-E160 IonicContact CZ-OE2 3.44Å; R156-E160 VanDerWaalsContact NE-CD 3.35Å; R156-E160 IonicContact NE-OE1 3.53Å; R156-E160 PolarHBondContact NE-OE1 3.08Å; R156-E160 IonicContact NE-OE2 3.25Å; R156-E160 PolarHBondContact NE-OE2 3.37Å; R156-E160 IonicContact NH2-OE1 3.37Å; R156-E160 PolarHBondContact NH2-OE1 2.87Å; R156-E160 IonicContact NH2-OE2 2.77Å; R156-E160 PolarHBondContact NH2-OE2 2.85Å; R156-E160 WeakPolarHBondContact O-CB 3.24Å; R156-E160 WeakPolarHBondContact O-CG 3.16Å; R156-E160 PolarHBondContact O-N 2.87Å
157A98.6Very high98.5Very high64 Ų6461.2 Ų61.253%0.52932%0.321SS..Hα-helixtrans-60.4-41.2176.600000112.3E153 Q154 L155 G161E153-A157 PolarHBondContact O-N 2.88Å; E153-A157 VanDerWaalsContact O-N 3.09Å; Q154-A157 PolarHBondContact O-N 2.93Å; L155-A157 VanDerWaalsContact C-N 3.33Å; L155-A157 PolarHBondContact O-N 2.79Å; A157-G161 PolarHBondContact O-N 3.09Å; A157-G161 VanDerWaalsContact O-N 3.09Å
158Y98.5Very high98.5Very high60 Ų6062.2 Ų62.224%0.23532%0.32CS..Iπ-helixtrans-65.2-48.2174.1171.5-94.8000112.3Y98 Q154 L155 R156 G161 T162 C163Y98-Y158 AromaticContact CD2-CE1 3.76Å; Y98-Y158 HydrophobicContact CD2-CE1 3.76Å; Y98-Y158 AromaticContact CE2-CE1 3.75Å; Y98-Y158 HydrophobicContact CE2-CE1 3.75Å; Y98-Y158 AromaticContact CE2-CZ 3.89Å; Q154-Y158 PolarHBondContact O-N 3.27Å; Q154-Y158 VanDerWaalsContact O-N 3.09Å; L155-Y158 PolarHBondContact O-N 2.87Å; R156-Y158 VanDerWaalsContact C-N 3.32Å; R156-Y158 PolarHBondContact O-N 2.88Å; Y158-G161 CarbonylContact O-C 3.5Å; Y158-G161 PolarHBondContact O-N 2.89Å; Y158-T162 HydrophobicContact CD2-CG2 3.86Å; Y158-T162 HydrophobicContact CE2-CG2 3.69Å; Y158-T162 PolarHBondContact O-N 2.85Å; Y158-T162 VanDerWaalsContact O-N 3.12Å; Y158-C163 HydrophobicContact CD1-CB 4.25Å; Y158-C163 HydrophobicContact CE1-CB 3.79Å; Y158-C163 WeakPolarHBondContact O-CB 3.44Å; Y158-C163 PolarHBondContact O-N 3.31Å
159L98.8Very high98.5Very high1 Ų163.6 Ų63.61%0.00531%0.307CS..Iπ-helixtrans-69.2-38.1-174.6-69.9171.4000112.7G99 L125 L129 L155 R156 V164G99-L159 WeakPolarHBondContact O-CD2 3.3Å; L125-L159 HydrophobicContact CD2-CD1 3.92Å; L129-L159 HydrophobicContact CD1-CB 4.48Å; L129-L159 HydrophobicContact CD2-CD1 3.93Å; L155-L159 WeakPolarHBondContact O-CB 3.39Å; L155-L159 WeakPolarHBondContact O-CG 3.12Å; L155-L159 PolarHBondContact O-N 2.7Å; R156-L159 PolarHBondContact O-N 3.15Å; L159-V164 WeakPolarHBondContact O-CG2 3.49Å
160E98.5Very high98.5Very high90 Ų9060.8 Ų60.842%0.42128%0.284SS..Iπ-helixtrans-80.2-26177.1-69.1-178.7166.400113L108 L129 R156L108-E160 HydrophobicContact CD2-CB 4.41Å; L108-E160 HydrophobicContact CD2-CG 3.68Å; L129-E160 HydrophobicContact CD1-CG 4.21Å; R156-E160 HydrophobicContact CG-CG 4.11Å; R156-E160 IonicContact CZ-OE1 3.55Å; R156-E160 VanDerWaalsContact CZ-OE1 3.23Å; R156-E160 IonicContact CZ-OE2 3.44Å; R156-E160 VanDerWaalsContact NE-CD 3.35Å; R156-E160 IonicContact NE-OE1 3.53Å; R156-E160 PolarHBondContact NE-OE1 3.08Å; R156-E160 IonicContact NE-OE2 3.25Å; R156-E160 PolarHBondContact NE-OE2 3.37Å; R156-E160 IonicContact NH2-OE1 3.37Å; R156-E160 PolarHBondContact NH2-OE1 2.87Å; R156-E160 IonicContact NH2-OE2 2.77Å; R156-E160 PolarHBondContact NH2-OE2 2.85Å; R156-E160 WeakPolarHBondContact O-CB 3.24Å; R156-E160 WeakPolarHBondContact O-CG 3.16Å; R156-E160 PolarHBondContact O-N 2.87Å
161G98.5Very high98.5Very high20 Ų2054.1 Ų54.121%0.20626%0.26CS..Iπ-helixtrans-107.4-94.3-178.600000112.4A157 Y158 C163 V164 E165A157-G161 PolarHBondContact O-N 3.09Å; A157-G161 VanDerWaalsContact O-N 3.09Å; Y158-G161 CarbonylContact O-C 3.5Å; Y158-G161 PolarHBondContact O-N 2.89Å; G161-C163 VanDerWaalsContact C-N 3.3Å; G161-C163 PolarHBondContact O-N 3.22Å; G161-C163 VanDerWaalsContact O-N 3.16Å; G161-V164 PolarHBondContact O-N 3.08Å; G161-E165 WeakPolarHBondContact O-CG 3.37Å; G161-E165 PolarHBondContact O-N 3.39Å
162T98.4Very high98.5Very high58 Ų5858.5 Ų58.536%0.35628%0.278SS..Iπ-helixtrans-47.1-47.8-171.9-530000113.4Y158 V164 E165 W166Y158-T162 HydrophobicContact CD2-CG2 3.86Å; Y158-T162 HydrophobicContact CE2-CG2 3.69Å; Y158-T162 PolarHBondContact O-N 2.85Å; Y158-T162 VanDerWaalsContact O-N 3.12Å; T162-V164 PolarHBondContact O-N 2.63Å; T162-E165 PolarHBondContact O-N 3.18Å; T162-W166 WeakPolarHBondContact O-CB 3.31Å; T162-W166 PolarHBondContact O-N 3.2Å
163C98.8Very high98.4Very high0 Ų060.6 Ų60.60%029%0.289CS..Hα-helixtrans-59.8-48.6-178.6-172.30000111.7M4 C100 Y158 G161 L167M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 WeakPolarHBondContact CE-O 3.37Å; M4-C163 VanDerWaalsContact CE-SG 3.52Å; C100-C163 HydrophobicContact CB-CB 3.92Å; C100-C163 WeakPolarHBondContact CB-SG 3.45Å; C100-C163 PolarHBondContact N-SG 2.82Å; C100-C163 WeakPolarHBondContact SG-CB 3.31Å; C100-C163 PolarHBondContact SG-O 3.18Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.97Å; Y158-C163 HydrophobicContact CD1-CB 4.25Å; Y158-C163 HydrophobicContact CE1-CB 3.79Å; Y158-C163 WeakPolarHBondContact O-CB 3.44Å; Y158-C163 PolarHBondContact O-N 3.31Å; G161-C163 VanDerWaalsContact C-N 3.3Å; G161-C163 PolarHBondContact O-N 3.22Å; G161-C163 VanDerWaalsContact O-N 3.16Å; C163-L167 VanDerWaalsContact O-CB 3.31Å; C163-L167 WeakPolarHBondContact O-CB 3.43Å; C163-L167 PolarHBondContact O-N 2.86Å
164V98.8Very high98.4Very high6 Ų655.4 Ų55.44%0.03627%0.265CS..Hα-helixtrans-67.5-41-179.3172.60000111.1C100 V102 G106 L108 L159 G161 T162 R168C100-V164 HydrophobicContact CB-CG2 4.33Å; V102-V164 HydrophobicContact CG1-CB 4.44Å; V102-V164 HydrophobicContact CG1-CG1 4.03Å; V102-V164 HydrophobicContact CG1-CG2 3.98Å; G106-V164 WeakPolarHBondContact O-CG1 3.48Å; L108-V164 HydrophobicContact CB-CG2 4.03Å; L108-V164 HydrophobicContact CD1-CG2 3.82Å; L108-V164 HydrophobicContact CG-CG2 4.49Å; L159-V164 WeakPolarHBondContact O-CG2 3.49Å; G161-V164 PolarHBondContact O-N 3.08Å; T162-V164 PolarHBondContact O-N 2.63Å; V164-R168 VanDerWaalsContact O-CG 3.3Å; V164-R168 WeakPolarHBondContact O-CG 3.34Å; V164-R168 PolarHBondContact O-N 3.11Å
165E98.6Very high98.3Very high129 Ų12954.1 Ų54.160%0.60326%0.258SS*.Hα-helixtrans-62.4-47.4178.4-71.4176.1177.300111.8G161 T162 R168 R169G161-E165 WeakPolarHBondContact O-CG 3.37Å; G161-E165 PolarHBondContact O-N 3.39Å; T162-E165 PolarHBondContact O-N 3.18Å; E165-R168 PolarHBondContact O-N 3.07Å; E165-R169 PolarHBondContact O-N 3.47Å; E165-R169 VanDerWaalsContact O-N 3.08Å
166W98.6Very high98Very high79 Ų7961.3 Ų61.330%0.29929%0.29SS..Hα-helixtrans-67.7-41.8177.3-81.5105.3000112.5M4 Y58 T162 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.14Å; M4-W166 HydrophobicContact SD-CB 4.5Å; Y58-W166 AromaticContact CD2-CH2 3.52Å; Y58-W166 HydrophobicContact CD2-CH2 3.52Å; Y58-W166 HydrophobicContact CD2-CZ2 4.1Å; Y58-W166 AromaticContact CD2-CZ3 3.92Å; Y58-W166 HydrophobicContact CD2-CZ3 3.92Å; Y58-W166 HydrophobicContact CE2-CE3 4.4Å; Y58-W166 AromaticContact CE2-CH2 3.91Å; Y58-W166 HydrophobicContact CE2-CH2 3.91Å; Y58-W166 HydrophobicContact CE2-CZ2 4.38Å; Y58-W166 AromaticContact CE2-CZ3 3.91Å; Y58-W166 HydrophobicContact CE2-CZ3 3.91Å; T162-W166 WeakPolarHBondContact O-CB 3.31Å; T162-W166 PolarHBondContact O-N 3.2Å; W166-R168 VanDerWaalsContact C-N 3.31Å; W166-R168 PolarHBondContact O-N 3.03Å; W166-R169 WeakPolarHBondContact O-CB 3.45Å; W166-R169 PolarHBondContact O-N 3.37Å; W166-R169 VanDerWaalsContact O-N 3.13Å; W166-Y170 HydrophobicContact CB-CE2 4.08Å; W166-Y170 HydrophobicContact CE3-CD1 4.35Å; W166-Y170 AromaticContact CE3-CE1 3.42Å; W166-Y170 HydrophobicContact CE3-CE1 3.42Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.42Å; W166-Y170 HydrophobicContact CE3-CE2 4.42Å; W166-Y170 AromaticContact CE3-CZ 3.45Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.45Å; W166-Y170 AromaticContact CZ3-CE1 3.85Å; W166-Y170 HydrophobicContact CZ3-CE1 3.85Å; W166-Y170 WeakPolarHBondContact O-CD2 3.42Å; W166-Y170 PolarHBondContact O-N 2.89Å
167L98.8Very high97.7Very high0 Ų060.2 Ų60.20%029%0.291CS..Hα-helixtrans-57.9-44.8175.5174.353.3000111.2H2 M4 V27 V102 C163 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.4Å; M4-L167 HydrophobicContact CB-CB 4.03Å; M4-L167 HydrophobicContact CB-CD1 3.99Å; M4-L167 HydrophobicContact CB-CD2 4.08Å; M4-L167 HydrophobicContact CB-CG 4.24Å; M4-L167 HydrophobicContact CE-CB 4.43Å; M4-L167 HydrophobicContact SD-CB 4.42Å; V27-L167 HydrophobicContact CG1-CD1 3.61Å; V27-L167 HydrophobicContact CG2-CD1 4.21Å; V102-L167 HydrophobicContact CB-CD2 4.37Å; V102-L167 HydrophobicContact CG1-CD2 3.96Å; V102-L167 HydrophobicContact CG2-CD2 3.59Å; V102-L167 HydrophobicContact CG2-CG 4.24Å; C163-L167 VanDerWaalsContact O-CB 3.31Å; C163-L167 WeakPolarHBondContact O-CB 3.43Å; C163-L167 PolarHBondContact O-N 2.86Å; L167-R169 PolarHBondContact O-N 2.85Å; L167-Y170 PolarHBondContact O-N 3.49Å; L167-L171 HydrophobicContact CD1-CD1 3.89Å; L167-L171 HydrophobicContact CD1-CD2 4.4Å; L167-L171 HydrophobicContact CD1-CG 3.88Å; L167-L171 HydrophobicContact CG-CD1 4Å; L167-L171 HydrophobicContact CG-CG 4.45Å; L167-L171 WeakPolarHBondContact O-CB 3.27Å; L167-L171 VanDerWaalsContact O-CG 3.25Å; L167-L171 WeakPolarHBondContact O-CG 3.33Å; L167-L171 PolarHBondContact O-N 3.14Å
168R98.4Very high97.6Very high117 Ų11757.3 Ų57.344%0.44227%0.267SS..Hα-helixtrans-61-42.9175.5-72.2174.2-174173.33.2112.4G106 V164 E165 W166 L171 E172G106-R168 VanDerWaalsContact C-NH2 3.3Å; G106-R168 PolarHBondContact O-NE 2.96Å; G106-R168 PolarHBondContact O-NH2 3.21Å; V164-R168 VanDerWaalsContact O-CG 3.3Å; V164-R168 WeakPolarHBondContact O-CG 3.34Å; V164-R168 PolarHBondContact O-N 3.11Å; E165-R168 PolarHBondContact O-N 3.07Å; W166-R168 VanDerWaalsContact C-N 3.31Å; W166-R168 PolarHBondContact O-N 3.03Å; R168-L171 PolarHBondContact O-N 3.42Å; R168-E172 PolarHBondContact O-N 3.44Å; R168-E172 VanDerWaalsContact O-N 3.09Å
169R98.3Very high97.3Very high116 Ų11658.6 Ų58.644%0.43828%0.275SS..Hα-helixtrans-60.3-45.5175.7177.9179.3172.9100.8-6.7111.2E54 E165 W166 L167 E172 N173E54-R169 VanDerWaalsContact CD-NH2 3.34Å; E54-R169 IonicContact OE1-CZ 3.66Å; E54-R169 IonicContact OE1-NE 3.26Å; E54-R169 PolarHBondContact OE1-NE 2.83Å; E54-R169 IonicContact OE1-NH2 3.23Å; E54-R169 PolarHBondContact OE1-NH2 3.45Å; E54-R169 VanDerWaalsContact OE1-NH2 3.1Å; E54-R169 IonicContact OE2-CZ 3.57Å; E54-R169 IonicContact OE2-NE 3.5Å; E54-R169 IonicContact OE2-NH2 3.4Å; E54-R169 PolarHBondContact OE2-NH2 3.49Å; E165-R169 PolarHBondContact O-N 3.47Å; E165-R169 VanDerWaalsContact O-N 3.08Å; W166-R169 WeakPolarHBondContact O-CB 3.45Å; W166-R169 PolarHBondContact O-N 3.37Å; W166-R169 VanDerWaalsContact O-N 3.13Å; L167-R169 PolarHBondContact O-N 2.85Å; R169-E172 PolarHBondContact O-N 3.02Å; R169-N173 VanDerWaalsContact O-CB 3.27Å; R169-N173 WeakPolarHBondContact O-CB 3.42Å; R169-N173 PolarHBondContact O-N 2.91Å; R169-N173 PolarHBondContact O-OD1 3.05Å
170Y98.5Very high97.1Very high1 Ų162.2 Ų62.20%0.00429%0.289CS..Hα-helixtrans-65.2-40.4178.8-61.4-25.4000112.4M4 V27 F32 W50 I51 Y58 W166 L167 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.71Å; M4-Y170 HydrophobicContact SD-CE2 3.52Å; M4-Y170 VanDerWaalsContact SD-CE2 3.52Å; V27-Y170 HydrophobicContact CG2-CD2 3.95Å; V27-Y170 HydrophobicContact CG2-CG 4.5Å; F32-Y170 HydrophobicContact CD2-CE2 4.49Å; F32-Y170 HydrophobicContact CE2-CD2 4.37Å; F32-Y170 AromaticContact CE2-CE2 3.71Å; F32-Y170 HydrophobicContact CE2-CE2 3.71Å; F32-Y170 HydrophobicContact CZ-CD2 4.4Å; F32-Y170 AromaticContact CZ-CE2 3.85Å; F32-Y170 HydrophobicContact CZ-CE2 3.85Å; W50-Y170 HydrophobicContact CE3-CD1 4.32Å; W50-Y170 HydrophobicContact CE3-CG 4.46Å; W50-Y170 HydrophobicContact CH2-CD2 4.36Å; W50-Y170 HydrophobicContact CH2-CG 4.07Å; W50-Y170 AromaticContact CZ3-CD1 3.64Å; W50-Y170 HydrophobicContact CZ3-CD1 3.64Å; W50-Y170 HydrophobicContact CZ3-CD2 4.18Å; W50-Y170 HydrophobicContact CZ3-CE1 4.36Å; W50-Y170 AromaticContact CZ3-CG 3.54Å; W50-Y170 HydrophobicContact CZ3-CG 3.54Å; I51-Y170 HydrophobicContact CD1-CD1 3.88Å; I51-Y170 HydrophobicContact CD1-CE1 3.28Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.24Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.37Å; Y58-Y170 PolarHBondContact OH-OH 3.27Å; W166-Y170 HydrophobicContact CB-CE2 4.08Å; W166-Y170 HydrophobicContact CE3-CD1 4.35Å; W166-Y170 AromaticContact CE3-CE1 3.42Å; W166-Y170 HydrophobicContact CE3-CE1 3.42Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.42Å; W166-Y170 HydrophobicContact CE3-CE2 4.42Å; W166-Y170 AromaticContact CE3-CZ 3.45Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.45Å; W166-Y170 AromaticContact CZ3-CE1 3.85Å; W166-Y170 HydrophobicContact CZ3-CE1 3.85Å; W166-Y170 WeakPolarHBondContact O-CD2 3.42Å; W166-Y170 PolarHBondContact O-N 2.89Å; L167-Y170 PolarHBondContact O-N 3.49Å; Y170-E172 VanDerWaalsContact C-N 3.28Å; Y170-E172 PolarHBondContact O-N 2.98Å; Y170-N173 PolarHBondContact O-N 2.83Å; Y170-G174 WeakPolarHBondContact O-CA 3.49Å; Y170-G174 PolarHBondContact O-N 3.2Å; Y170-L178 WeakPolarHBondContact O-CD1 3.13Å
171L98.2Very high96.9Very high14 Ų1460.9 Ų60.97%0.07329%0.286CS..Hα-helixtrans-63.1-33.7175.6-71.3169.5000112.9H2 V27 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.69Å; H2-L171 HydrophobicContact CB-CD2 3.94Å; H2-L171 HydrophobicContact CB-CG 4.38Å; H2-L171 VanDerWaalsContact CG-CD2 3.45Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.49Å; V27-L171 HydrophobicContact CG1-CD2 4.07Å; L167-L171 HydrophobicContact CD1-CD1 3.89Å; L167-L171 HydrophobicContact CD1-CD2 4.4Å; L167-L171 HydrophobicContact CD1-CG 3.88Å; L167-L171 HydrophobicContact CG-CD1 4Å; L167-L171 HydrophobicContact CG-CG 4.45Å; L167-L171 WeakPolarHBondContact O-CB 3.27Å; L167-L171 VanDerWaalsContact O-CG 3.25Å; L167-L171 WeakPolarHBondContact O-CG 3.33Å; L167-L171 PolarHBondContact O-N 3.14Å; R168-L171 PolarHBondContact O-N 3.42Å; L171-K175 VanDerWaalsContact O-CA 3.26Å; L171-K175 WeakPolarHBondContact O-CA 3.39Å; L171-K175 WeakPolarHBondContact O-CB 3.35Å; L171-K175 PolarHBondContact O-N 2.86Å; L171-L178 HydrophobicContact CD2-CB 4.12Å; L171-L178 HydrophobicContact CD2-CD1 4.42Å; L171-Q179 PolarHBondContact O-NE2 3.03Å
172E97.9Very high96.9Very high122 Ų12262.5 Ų62.557%0.5729%0.29SS*.Hα-helixtrans-74.4-49174.1-172.559.5-153.300111R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 3.44Å; R168-E172 VanDerWaalsContact O-N 3.09Å; R169-E172 PolarHBondContact O-N 3.02Å; Y170-E172 VanDerWaalsContact C-N 3.28Å; Y170-E172 PolarHBondContact O-N 2.98Å; E172-G174 VanDerWaalsContact C-N 3.33Å; E172-G174 PolarHBondContact O-N 3.25Å; E172-K175 WeakPolarHBondContact O-CB 3.42Å; E172-K175 PolarHBondContact O-N 3.43Å
173N97.8Very high96.9Very high52 Ų5261.9 Ų61.928%0.27829%0.291SS..Hα-helixtrans-59.6-40.5179.5-78.10.3000113.1Q53 E54 R169 Y170Q53-N173 PolarHBondContact NE2-ND2 2.96Å; Q53-N173 VanDerWaalsContact NE2-ND2 3.19Å; E54-N173 PolarHBondContact OE1-ND2 3.15Å; R169-N173 VanDerWaalsContact O-CB 3.27Å; R169-N173 WeakPolarHBondContact O-CB 3.42Å; R169-N173 PolarHBondContact O-N 2.91Å; R169-N173 PolarHBondContact O-OD1 3.05Å; Y170-N173 PolarHBondContact O-N 2.83Å
174G97.2Very high96.8Very high4 Ų462.3 Ų62.34%0.04129%0.294CS..THydrogen-bonded Turntrans-104.620.5-176.900000113.6Y170 E172 E176 T177 L178Y170-G174 WeakPolarHBondContact O-CA 3.49Å; Y170-G174 PolarHBondContact O-N 3.2Å; E172-G174 VanDerWaalsContact C-N 3.33Å; E172-G174 PolarHBondContact O-N 3.25Å; G174-E176 VanDerWaalsContact C-N 3.25Å; G174-E176 PolarHBondContact O-N 2.59Å; G174-E176 VanDerWaalsContact O-N 3.13Å; G174-T177 PolarHBondContact O-N 2.79Å; G174-T177 PolarHBondContact O-OG1 2.91Å; G174-L178 WeakPolarHBondContact O-CB 3.45Å; G174-L178 PolarHBondContact O-N 2.85Å
175K95.8Very high96.8Very high107 Ų10768.8 Ų68.847%0.46532%0.322SS..Hα-helixtrans-49.8-41.5-172-178.8171.6-174.4174.90114.2L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.26Å; L171-K175 WeakPolarHBondContact O-CA 3.39Å; L171-K175 WeakPolarHBondContact O-CB 3.35Å; L171-K175 PolarHBondContact O-N 2.86Å; E172-K175 WeakPolarHBondContact O-CB 3.42Å; E172-K175 PolarHBondContact O-N 3.43Å; K175-T177 PolarHBondContact O-N 2.86Å; K175-Q179 HydrophobicContact CG-CB 4.44Å; K175-Q179 HydrophobicContact CG-CG 4.38Å; K175-Q179 WeakPolarHBondContact O-CB 3.48Å; K175-Q179 PolarHBondContact O-N 2.98Å
176E92.9Very high96.8Very high180 Ų18064.3 Ų64.384%0.84130%0.303SS*.Hα-helixtrans-63.4-26.8-179.7-63.9-174167.400113.4G174G174-E176 VanDerWaalsContact C-N 3.25Å; G174-E176 PolarHBondContact O-N 2.59Å; G174-E176 VanDerWaalsContact O-N 3.13Å
177T92.9Very high96.7Very high45 Ų4564.4 Ų64.428%0.27631%0.307SS..Hα-helixtrans-106.7-39.2-178.354.50000113.5G174 K175 R180G174-T177 PolarHBondContact O-N 2.79Å; G174-T177 PolarHBondContact O-OG1 2.91Å; K175-T177 PolarHBondContact O-N 2.86Å; T177-R180 VanDerWaalsContact O-CG 3.32Å; T177-R180 WeakPolarHBondContact O-CG 3.24Å
178L94.7Very high96.6Very high3 Ų366 Ų662%0.01631%0.314CS..Hα-helixtrans-86.7-25.5-172.5-63.5174000112.7V27 T30 W50 Y170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.28Å; V27-L178 HydrophobicContact CB-CD2 4.07Å; V27-L178 HydrophobicContact CG1-CD1 3.94Å; V27-L178 HydrophobicContact CG1-CD2 4.04Å; V27-L178 HydrophobicContact CG1-CG 4.48Å; T30-L178 HydrophobicContact CG2-CD2 4.02Å; W50-L178 HydrophobicContact CD2-CD1 4.35Å; W50-L178 HydrophobicContact CH2-CD1 4.34Å; W50-L178 HydrophobicContact CZ2-CD1 3.79Å; W50-L178 HydrophobicContact CZ2-CD2 4.09Å; W50-L178 HydrophobicContact CZ2-CG 4.37Å; Y170-L178 WeakPolarHBondContact O-CD1 3.13Å; L171-L178 HydrophobicContact CD2-CB 4.12Å; L171-L178 HydrophobicContact CD2-CD1 4.42Å; G174-L178 WeakPolarHBondContact O-CB 3.45Å; G174-L178 PolarHBondContact O-N 2.85Å
179Q93.4Very high96.5Very high86 Ų8662 Ų6240%0.40230%0.303SS..SBendtrans-103.414.2175.5-55.7-17828.600111.6L171 K175L171-Q179 PolarHBondContact O-NE2 3.03Å; K175-Q179 HydrophobicContact CG-CB 4.44Å; K175-Q179 HydrophobicContact CG-CG 4.38Å; K175-Q179 WeakPolarHBondContact O-CB 3.48Å; K175-Q179 PolarHBondContact O-N 2.98Å
180R93.9Very high96.5Very high78 Ų7859.4 Ų59.429%0.29430%0.296SS..  trans-82.2152.7172.590.3-175.9179.5-147.5-7.9109.7T177 D182 Y208T177-R180 VanDerWaalsContact O-CG 3.32Å; T177-R180 WeakPolarHBondContact O-CG 3.24Å; R180-D182 WeakPolarHBondContact CD-OD2 3.38Å; R180-D182 IonicContact CZ-OD2 3.67Å; R180-D182 IonicContact NE-OD2 3.87Å; R180-D182 PolarHBondContact NE-OD2 3.23Å; R180-D182 IonicContact NH2-OD2 2.82Å; R180-Y208 HydrophobicContact CG-CD1 4.05Å; R180-Y208 HydrophobicContact CG-CE1 4.48Å; R180-Y208 WeakPolarHBondContact O-CD1 3.3Å
181T95.5Very high96.3Very high61 Ų6163.6 Ų63.637%0.37432%0.316SS..  trans-135.1113.4170.5-39.90000108.1Y208 E263T181-Y208 CarbonylContact C-O 3.57Å; T181-Y208 WeakPolarHBondContact CA-O 3.32Å; T181-Y208 WeakPolarHBondContact CG2-O 3.32Å; T181-E263 HydrophobicContact CG2-CB 4.1Å; T181-E263 HydrophobicContact CG2-CG 4.26Å
182D97.3Very high96.1Very high54 Ų5466.8 Ų66.829%0.28934%0.344SS..BIsolated β-bridgetrans-97.4113-178-60.8-42.5000108.1R180 F207 Y208 H262R180-D182 WeakPolarHBondContact CD-OD2 3.38Å; R180-D182 IonicContact CZ-OD2 3.67Å; R180-D182 IonicContact NE-OD2 3.87Å; R180-D182 PolarHBondContact NE-OD2 3.23Å; R180-D182 IonicContact NH2-OD2 2.82Å; D182-F207 VanDerWaalsContact O-CA 3.22Å; D182-F207 WeakPolarHBondContact O-CA 3.31Å; D182-F207 WeakPolarHBondContact O-CB 3.5Å; D182-Y208 PolarHBondContact N-O 2.97Å; D182-Y208 PolarHBondContact O-N 2.87Å; D182-Y208 VanDerWaalsContact O-N 3.12Å; D182-H262 PolarHBondContact O-CE1 2.92Å
183A98.1Very high95.8Very high45 Ų4565.3 Ų65.337%0.37234%0.343SS..  trans-66.9142179.600000111.5K185 G264 L265A183-K185 PolarHBondContact O-N 2.82Å; A183-G264 WeakPolarHBondContact CB-O 3.17Å; A183-L265 HydrophobicContact CB-CD2 4.02Å
184P98.4Very high95.6Very high9 Ų965.3 Ų65.36%0.05835%0.347CS..  trans-63.5132.3179.226.5-35.1000111.7T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 4.1Å; P184-T186 HydrophobicContact CG-CG2 4.28Å; P184-T186 PolarHBondContact O-N 3.26Å; P184-A204 HydrophobicContact CB-CB 3.87Å; P184-F207 HydrophobicContact CB-CB 3.86Å; P184-F207 HydrophobicContact CB-CD1 4.03Å; P184-F207 HydrophobicContact CB-CG 4.21Å; P184-I212 HydrophobicContact CB-CD1 3.98Å; P184-I212 HydrophobicContact CG-CD1 4.06Å; P184-V260 HydrophobicContact CG-CG1 3.95Å; P184-H262 HydrophobicContact CG-CB 3.99Å; P184-L265 HydrophobicContact CG-CD1 3.87Å; P184-L265 HydrophobicContact CG-CD2 4.42Å; P184-L265 HydrophobicContact CG-CG 4.18Å
185K98.4Very high95.3Very high143 Ų14372.3 Ų72.362%0.62238%0.383SS*.EExtended strand (participates in β ladder)trans-79106.5164.2-66.4175.9-174.3167.60108A183 L205A183-K185 PolarHBondContact O-N 2.82Å; K185-L205 PolarHBondContact N-O 2.69Å; K185-L205 PolarHBondContact O-N 3.37Å
186T98.2Very high95.2Very high35 Ų3574.1 Ų74.122%0.21539%0.393CS..EExtended strand (participates in β ladder)trans-101.8138.4-175.258.80000112.3P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 4.1Å; P184-T186 HydrophobicContact CG-CG2 4.28Å; P184-T186 PolarHBondContact O-N 3.26Å; T186-W203 WeakPolarHBondContact CA-O 3.48Å; T186-A204 HydrophobicContact CG2-CB 4.49Å; T186-V260 HydrophobicContact CG2-CB 4.32Å; T186-V260 HydrophobicContact CG2-CG1 4.09Å; T186-V260 HydrophobicContact CG2-CG2 3.98Å; T186-L269 HydrophobicContact CG2-CD1 4.14Å; T186-L271 HydrophobicContact CG2-CD1 4.17Å
187H96.5Very high95.3Very high81 Ų8170 Ų7038%0.37537%0.374SS..EExtended strand (participates in β ladder)trans-150.7166.4169.368.8-78000110.2W203H187-W203 WeakPolarHBondContact CE1-CB 3.3Å; H187-W203 AromaticContact CE1-CD1 3.85Å; H187-W203 AromaticContact CE1-CG 3.55Å; H187-W203 PolarHBondContact N-O 2.93Å; H187-W203 AromaticContact NE2-CD1 3.48Å; H187-W203 AromaticContact NE2-CG 3.67Å; H187-W203 PolarHBondContact O-N 3.35Å
188M96.8Very high95.5Very high32 Ų3267.9 Ų67.916%0.15836%0.361CS..EExtended strand (participates in β ladder)trans-116.7142176.8-76.8-179.24700111.1L200 R201 C202 W216 C258 L271 W273M188-L200 HydrophobicContact CE-CD1 4.39Å; M188-R201 CarbonylContact C-O 3.52Å; M188-R201 VanDerWaalsContact CA-O 3.29Å; M188-R201 WeakPolarHBondContact CA-O 3.39Å; M188-C202 HydrophobicContact CG-CB 4.49Å; M188-W216 HydrophobicContact CE-CH2 3.5Å; M188-W216 VanDerWaalsContact CE-CH2 3.5Å; M188-W216 HydrophobicContact CE-CZ2 4.4Å; M188-W216 HydrophobicContact CE-CZ3 4.28Å; M188-W216 HydrophobicContact SD-CH2 4.03Å; M188-C258 HydrophobicContact SD-CB 4.5Å; M188-L271 HydrophobicContact CG-CB 4.34Å; M188-L271 HydrophobicContact SD-CB 3.74Å; M188-W273 HydrophobicContact CE-CB 3.54Å
189T97Very high95.7Very high34 Ų3468.7 Ų68.721%0.20937%0.366CS..EExtended strand (participates in β ladder)trans-117.9146169.368.40000110.1H191 R201T189-H191 WeakPolarHBondContact CB-NE2 3.21Å; T189-H191 PolarHBondContact OG1-NE2 3.3Å; T189-R201 PolarHBondContact N-O 2.67Å; T189-R201 PolarHBondContact O-N 2.94Å
190H96.9Very high95.9Very high62 Ų6264.6 Ų64.629%0.28735%0.347SS..EExtended strand (participates in β ladder)trans-120.1127.4178.1167.1-79.5000108.5A198 T199 L200 W273H190-A198 WeakPolarHBondContact NE2-CB 3.41Å; H190-T199 WeakPolarHBondContact CA-O 3.45Å; H190-L200 HydrophobicContact CB-CD2 4.1Å; H190-W273 HydrophobicContact CB-CD2 4.32Å; H190-W273 HydrophobicContact CB-CG 4.36Å; H190-W273 HydrophobicContact CB-CZ2 4.21Å; H190-W273 AromaticContact CG-CE2 3.87Å; H190-W273 AromaticContact CG-CZ2 3.92Å
191H95.3Very high96.1Very high89 Ų8963.5 Ų63.541%0.41234%0.343SS..EExtended strand (participates in β ladder)trans-128.9112.7178.8-58.2-74.7000109.4T189 V193 A198 T199T189-H191 WeakPolarHBondContact CB-NE2 3.21Å; T189-H191 PolarHBondContact OG1-NE2 3.3Å; H191-V193 PolarHBondContact O-N 3.36Å; H191-A198 CarbonylContact O-C 3.6Å; H191-A198 VanDerWaalsContact O-CA 3.29Å; H191-A198 WeakPolarHBondContact O-CA 3.23Å; H191-T199 PolarHBondContact N-O 2.81Å; H191-T199 PolarHBondContact O-N 3.29Å
192A93.2Very high96.3Very high80 Ų8060.6 Ų60.666%0.66133%0.325SS*.EExtended strand (participates in β ladder)trans-65.1126.4173.100000109.6
193V91.5Very high96.3Very high91 Ų9160.2 Ų60.255%0.55232%0.32SS*.  trans-98.7-40.9177.6-179.10000109.8H191 E197 T199H191-V193 PolarHBondContact O-N 3.36Å; V193-E197 PolarHBondContact N-O 3.11Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.34Å
194S92.9Very high96.3Very high52 Ų5258 Ų5836%0.36430%0.302SS..SBendtrans-148.7-179.9174.172.40000110.3H196 E197S194-H196 PolarHBondContact O-N 3.11Å; S194-H196 VanDerWaalsContact O-N 3.16Å; S194-H196 PolarHBondContact OG-N 2.95Å; S194-E197 PolarHBondContact N-O 3.47Å; S194-E197 PolarHBondContact O-N 2.73Å; S194-E197 VanDerWaalsContact O-O 3.05Å; S194-E197 PolarHBondContact OG-N 2.97Å
195D91Very high96.3Very high151 Ų15159.9 Ų59.981%0.80731%0.311SS*.SBendtrans-61.8-20172.9-65.8-20.3000112.6S250D195-S250 PolarHBondContact O-OG 2.8Å; D195-S250 VanDerWaalsContact O-OG 3.1Å
196H94.1Very high96.3Very high145 Ų14555 Ų5567%0.67130%0.295SS*.SBendtrans-106-14.8-175.1-55.2-47.9000113.9S194 P249 S250S194-H196 PolarHBondContact O-N 3.11Å; S194-H196 VanDerWaalsContact O-N 3.16Å; S194-H196 PolarHBondContact OG-N 2.95Å; H196-P249 CarbonylContact O-C 3.52Å; H196-P249 WeakPolarHBondContact O-CA 3.46Å; H196-S250 PolarHBondContact O-N 2.84Å; H196-S250 PolarHBondContact O-OG 3.06Å
197E95.9Very high96.3Very high93 Ų9353.3 Ų53.344%0.43529%0.285SS..EExtended strand (participates in β ladder)trans-143.4144.5-170.8-65.9-178.6161.700112.9V193 S194 V247 V248 S250V193-E197 PolarHBondContact N-O 3.11Å; S194-E197 PolarHBondContact N-O 3.47Å; S194-E197 PolarHBondContact O-N 2.73Å; S194-E197 VanDerWaalsContact O-O 3.05Å; S194-E197 PolarHBondContact OG-N 2.97Å; E197-V247 HydrophobicContact CB-CG1 4.03Å; E197-V247 HydrophobicContact CG-CG1 4.26Å; E197-V248 WeakPolarHBondContact CA-O 3.45Å; E197-S250 PolarHBondContact N-OG 3.26Å
198A96.8Very high96.4Very high1 Ų149.7 Ų49.71%0.00827%0.268CS..EExtended strand (participates in β ladder)trans-132.5152.817100000110.8H190 H191 V247 V248H190-A198 WeakPolarHBondContact NE2-CB 3.41Å; H191-A198 CarbonylContact O-C 3.6Å; H191-A198 VanDerWaalsContact O-CA 3.29Å; H191-A198 WeakPolarHBondContact O-CA 3.23Å; A198-V247 WeakPolarHBondContact O-CA 3.47Å; A198-V248 HydrophobicContact CB-CG2 4.44Å; A198-V248 PolarHBondContact N-O 2.88Å; A198-V248 WeakPolarHBondContact O-CG2 3.49Å; A198-V248 PolarHBondContact O-N 3.41Å
199T97.9Very high96.4Very high21 Ų2149.2 Ų49.213%0.12927%0.267CS..EExtended strand (participates in β ladder)trans-94.2122.3168.4-55.50000109.2H190 H191 V193 V246H190-T199 WeakPolarHBondContact CA-O 3.45Å; H191-T199 PolarHBondContact N-O 2.81Å; H191-T199 PolarHBondContact O-N 3.29Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.34Å; T199-V246 WeakPolarHBondContact CA-O 3.38Å
200L98.3Very high96.5Very high0 Ų048.5 Ų48.50%026%0.264CS..EExtended strand (participates in β ladder)trans-94.3126.1164.5-62.5-177.5000108.6M188 H190 W216 S245 V246 V248 E253 W273M188-L200 HydrophobicContact CE-CD1 4.39Å; H190-L200 HydrophobicContact CB-CD2 4.1Å; L200-W216 HydrophobicContact CB-CH2 3.61Å; L200-W216 HydrophobicContact CB-CZ2 3.83Å; L200-W216 HydrophobicContact CB-CZ3 4.45Å; L200-W216 HydrophobicContact CD1-CH2 4.04Å; L200-W216 HydrophobicContact CD1-CZ3 4.23Å; L200-W216 HydrophobicContact CG-CH2 4.48Å; L200-S245 CarbonylContact O-C 3.5Å; L200-S245 WeakPolarHBondContact O-CA 3.43Å; L200-S245 WeakPolarHBondContact O-CB 3.47Å; L200-V246 HydrophobicContact CB-CG2 4.28Å; L200-V246 PolarHBondContact N-O 3.38Å; L200-V246 PolarHBondContact O-N 2.83Å; L200-V248 HydrophobicContact CD1-CG1 4Å; L200-V248 HydrophobicContact CD1-CG2 4.01Å; L200-V248 HydrophobicContact CG-CG1 4.18Å; L200-V248 HydrophobicContact CG-CG2 3.83Å; L200-E253 HydrophobicContact CD1-CB 4.12Å; L200-E253 HydrophobicContact CD1-CG 4.48Å; L200-E253 HydrophobicContact CD2-CB 4.49Å; L200-E253 HydrophobicContact CD2-CG 4.27Å; L200-W273 HydrophobicContact CD2-CB 4.07Å; L200-W273 HydrophobicContact CD2-CG 4.16Å
201R98.4Very high96.5Very high54 Ų5452.4 Ų52.420%0.20428%0.283CS..EExtended strand (participates in β ladder)trans-120.2123.3176.1-174.1175.6-68.7123.6-0.4110.3M188 T189 W203 W243M188-R201 CarbonylContact C-O 3.52Å; M188-R201 VanDerWaalsContact CA-O 3.29Å; M188-R201 WeakPolarHBondContact CA-O 3.39Å; T189-R201 PolarHBondContact N-O 2.67Å; T189-R201 PolarHBondContact O-N 2.94Å; R201-W203 VanDerWaalsContact CD-CE2 3.41Å; R201-W203 VanDerWaalsContact CD-CZ2 3.43Å; R201-W203 HydrophobicContact CG-CZ2 4.45Å; R201-W243 HydrophobicContact CG-CB 3.97Å; R201-W243 HydrophobicContact CG-CD2 4.17Å; R201-W243 HydrophobicContact CG-CE3 3.99Å; R201-W243 HydrophobicContact CG-CG 4.22Å
202C98.4Very high96.7Very high0 Ų048.7 Ų48.70%027%0.266CS..EExtended strand (participates in β ladder)trans-96.4122.6174.4-1740000109.3M188 W216 W243 A244 C258M188-C202 HydrophobicContact CG-CB 4.49Å; C202-W216 HydrophobicContact CB-CZ2 3.72Å; C202-W243 CarbonylContact O-C 3.53Å; C202-W243 WeakPolarHBondContact O-CA 3.18Å; C202-W243 VanDerWaalsContact O-CB 3.26Å; C202-W243 WeakPolarHBondContact O-CB 3.33Å; C202-A244 PolarHBondContact N-O 3.1Å; C202-A244 PolarHBondContact O-N 3.25Å; C202-C258 HydrophobicContact CB-CB 3.46Å; C202-C258 VanDerWaalsContact CB-CB 3.46Å; C202-C258 WeakPolarHBondContact CB-SG 3.43Å; C202-C258 WeakPolarHBondContact SG-CB 2.91Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 2.76Å
203W98.6Very high96.9Very high46 Ų4647.4 Ų47.417%0.17425%0.25CS..EExtended strand (participates in β ladder)trans-105.4141.1-179.6-70.789.3000110.6T186 H187 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.48Å; H187-W203 WeakPolarHBondContact CE1-CB 3.3Å; H187-W203 AromaticContact CE1-CD1 3.85Å; H187-W203 AromaticContact CE1-CG 3.55Å; H187-W203 PolarHBondContact N-O 2.93Å; H187-W203 AromaticContact NE2-CD1 3.48Å; H187-W203 AromaticContact NE2-CG 3.67Å; H187-W203 PolarHBondContact O-N 3.35Å; R201-W203 VanDerWaalsContact CD-CE2 3.41Å; R201-W203 VanDerWaalsContact CD-CZ2 3.43Å; R201-W203 HydrophobicContact CG-CZ2 4.45Å; W203-L205 HydrophobicContact CE3-CD2 3.89Å; W203-L205 HydrophobicContact CZ3-CD2 4.43Å; W203-W243 HydrophobicContact CD2-CB 3.9Å; W203-W243 HydrophobicContact CD2-CG 4.43Å; W203-W243 HydrophobicContact CE3-CB 3.84Å; W203-W243 AromaticContact CE3-CD1 3.88Å; W203-W243 HydrophobicContact CE3-CG 4.19Å; W203-W243 HydrophobicContact CG-CB 4.35Å; W203-W243 AromaticContact CH2-CD1 3.52Å; W203-W243 HydrophobicContact CH2-CG 4.19Å; W203-W243 AromaticContact CH2-NE1 3.99Å; W203-W243 HydrophobicContact CZ2-CG 4.42Å; W203-W243 HydrophobicContact CZ3-CB 4.24Å; W203-W243 AromaticContact CZ3-CD1 3.38Å; W203-W243 HydrophobicContact CZ3-CG 4.08Å
204A98.7Very high97.3Very high0 Ų043.4 Ų43.40%023%0.226CC..EExtended strand (participates in β ladder)trans-124122.4162.300000107.9P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.87Å; T186-A204 HydrophobicContact CG2-CB 4.49Å; A204-F207 HydrophobicContact CB-CD1 4.08Å; A204-F207 HydrophobicContact CB-CE1 3.89Å; A204-F207 WeakPolarHBondContact O-CE1 3.38Å; A204-I212 HydrophobicContact CB-CD1 3.59Å; A204-L214 HydrophobicContact CB-CD1 3.96Å; A204-L214 HydrophobicContact CB-CD2 4.15Å; A204-Q241 VanDerWaalsContact O-CA 3.31Å; A204-Q241 WeakPolarHBondContact O-CA 3.46Å; A204-K242 PolarHBondContact N-O 3.24Å; A204-K242 PolarHBondContact O-N 2.9Å; A204-K242 VanDerWaalsContact O-O 3.09Å
205L98.6Very high97.5Very high47 Ų4742.8 Ų42.825%0.24622%0.22CC..EExtended strand (participates in β ladder)trans-127.4155.1-176-59.8178.8000111.1K185 W203 F207 Q241K185-L205 PolarHBondContact N-O 2.69Å; K185-L205 PolarHBondContact O-N 3.37Å; W203-L205 HydrophobicContact CE3-CD2 3.89Å; W203-L205 HydrophobicContact CZ3-CD2 4.43Å; L205-F207 VanDerWaalsContact C-N 3.31Å; L205-F207 PolarHBondContact O-N 3.33Å; L205-Q241 HydrophobicContact CD2-CB 3.58Å
206S97.8Very high97.9Very high41 Ų4135.7 Ų35.729%0.28718%0.182SC..EExtended strand (participates in β ladder)trans5640.6170.7-54.40000113.9T239 F240S206-T239 WeakPolarHBondContact CA-OG1 3.38Å; S206-F240 PolarHBondContact N-O 3.31Å
207F98.4Very high98.1Very high0 Ų030.8 Ų30.80%016%0.159CC..EExtended strand (participates in β ladder)trans-105.6154.6177.461-89.7000112.4D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262D182-F207 VanDerWaalsContact O-CA 3.22Å; D182-F207 WeakPolarHBondContact O-CA 3.31Å; D182-F207 WeakPolarHBondContact O-CB 3.5Å; P184-F207 HydrophobicContact CB-CB 3.86Å; P184-F207 HydrophobicContact CB-CD1 4.03Å; P184-F207 HydrophobicContact CB-CG 4.21Å; A204-F207 HydrophobicContact CB-CD1 4.08Å; A204-F207 HydrophobicContact CB-CE1 3.89Å; A204-F207 WeakPolarHBondContact O-CE1 3.38Å; L205-F207 VanDerWaalsContact C-N 3.31Å; L205-F207 PolarHBondContact O-N 3.33Å; F207-P209 VanDerWaalsContact CD2-O 3.31Å; F207-P209 WeakPolarHBondContact CD2-O 3.45Å; F207-I212 HydrophobicContact CD1-CD1 3.86Å; F207-I212 HydrophobicContact CD2-CB 4.23Å; F207-I212 HydrophobicContact CD2-CD1 3.98Å; F207-I212 HydrophobicContact CE1-CD1 3.79Å; F207-I212 HydrophobicContact CE1-CG2 4.4Å; F207-I212 HydrophobicContact CE2-CB 3.73Å; F207-I212 HydrophobicContact CE2-CD1 3.94Å; F207-I212 HydrophobicContact CE2-CG1 4.42Å; F207-I212 HydrophobicContact CE2-CG2 3.57Å; F207-I212 HydrophobicContact CG-CD1 3.96Å; F207-I212 HydrophobicContact CZ-CB 4.1Å; F207-I212 HydrophobicContact CZ-CD1 3.87Å; F207-I212 HydrophobicContact CZ-CG2 3.52Å; F207-T232 HydrophobicContact CE2-CG2 4.04Å; F207-T232 HydrophobicContact CZ-CG2 3.83Å; F207-T239 CarbonylContact O-C 3.57Å; F207-T239 WeakPolarHBondContact O-CA 3.29Å; F207-F240 VanDerWaalsContact CD1-O 3.28Å; F207-F240 WeakPolarHBondContact CD1-O 3.27Å; F207-F240 HydrophobicContact CD2-CB 3.91Å; F207-F240 HydrophobicContact CE1-CB 4.19Å; F207-F240 WeakPolarHBondContact CE1-O 3.18Å; F207-F240 HydrophobicContact CE2-CB 3.45Å; F207-F240 VanDerWaalsContact CE2-CB 3.45Å; F207-F240 HydrophobicContact CE2-CG 4.42Å; F207-F240 HydrophobicContact CG-CB 4.42Å; F207-F240 HydrophobicContact CZ-CB 3.59Å; F207-F240 PolarHBondContact N-O 3.49Å; F207-F240 PolarHBondContact O-N 3.39Å; F207-K242 HydrophobicContact CE1-CB 4.32Å; F207-K242 HydrophobicContact CZ-CB 4.12Å; F207-H262 AromaticContact CD2-CD2 3.82Å; F207-H262 AromaticContact CD2-NE2 3.72Å
208Y98Very high98.2Very high4 Ų429.7 Ų29.72%0.01615%0.151CC..BIsolated β-bridgetrans-152.3135174.1178.6-85.6000108.6D29 T30 R180 T181 D182 G238 F240 H262D29-Y208 HydrophobicContact CB-CE2 3.84Å; T30-Y208 PolarHBondContact OG1-OH 3.44Å; T30-Y208 VanDerWaalsContact OG1-OH 3.12Å; R180-Y208 HydrophobicContact CG-CD1 4.05Å; R180-Y208 HydrophobicContact CG-CE1 4.48Å; R180-Y208 WeakPolarHBondContact O-CD1 3.3Å; T181-Y208 CarbonylContact C-O 3.57Å; T181-Y208 WeakPolarHBondContact CA-O 3.32Å; T181-Y208 WeakPolarHBondContact CG2-O 3.32Å; D182-Y208 PolarHBondContact N-O 2.97Å; D182-Y208 PolarHBondContact O-N 2.87Å; D182-Y208 VanDerWaalsContact O-N 3.12Å; Y208-G238 WeakPolarHBondContact CD2-O 3.27Å; Y208-F240 HydrophobicContact CD2-CD2 4.46Å; Y208-F240 HydrophobicContact CD2-CE2 4.01Å; Y208-F240 HydrophobicContact CE2-CE2 4.49Å; Y208-H262 PolarHBondContact O-CE1 3.29Å
209P97.6Very high98.2Very high22 Ų2234.2 Ų34.214%0.14318%0.175CC..SBendcis-72.1-177.33.230.9-36.6000114D29 F207 E211 H262D29-P209 WeakPolarHBondContact OD2-CB 3.41Å; F207-P209 VanDerWaalsContact CD2-O 3.31Å; F207-P209 WeakPolarHBondContact CD2-O 3.45Å; P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 3.01Å; P209-H262 PolarHBondContact O-NE2 2.75Å
210A97.9Very high98Very high19 Ų1935.6 Ų35.616%0.15719%0.193CC..SBendtrans-70.5-23.7-176.300000113.9D29 I212 T232 F240D29-A210 WeakPolarHBondContact OD2-CB 3.23Å; D29-A210 PolarHBondContact OD2-N 2.88Å; A210-I212 PolarHBondContact O-N 2.93Å; A210-T232 HydrophobicContact CB-CG2 4.35Å; A210-F240 HydrophobicContact CB-CD1 3.79Å; A210-F240 HydrophobicContact CB-CD2 3.75Å; A210-F240 HydrophobicContact CB-CE1 3.69Å; A210-F240 HydrophobicContact CB-CE2 3.66Å; A210-F240 HydrophobicContact CB-CG 3.83Å; A210-F240 HydrophobicContact CB-CZ 3.65Å
211E98.1Very high98Very high144 Ų14442.4 Ų42.467%0.67323%0.225SC*.  trans-66.9116.8-178.3-173.856.8-143.700110.7P209 H262P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 3.01Å; E211-H262 PolarHBondContact O-CD2 2.76Å; E211-H262 VanDerWaalsContact O-CD2 3.27Å
212I98.5Very high97.9Very high11 Ų1144.3 Ų44.36%0.05624%0.239CC..  trans-152.2143.4-178.7-163.2171.2000109.8P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 3.98Å; P184-I212 HydrophobicContact CG-CD1 4.06Å; A204-I212 HydrophobicContact CB-CD1 3.59Å; F207-I212 HydrophobicContact CD1-CD1 3.86Å; F207-I212 HydrophobicContact CD2-CB 4.23Å; F207-I212 HydrophobicContact CD2-CD1 3.98Å; F207-I212 HydrophobicContact CE1-CD1 3.79Å; F207-I212 HydrophobicContact CE1-CG2 4.4Å; F207-I212 HydrophobicContact CE2-CB 3.73Å; F207-I212 HydrophobicContact CE2-CD1 3.94Å; F207-I212 HydrophobicContact CE2-CG1 4.42Å; F207-I212 HydrophobicContact CE2-CG2 3.57Å; F207-I212 HydrophobicContact CG-CD1 3.96Å; F207-I212 HydrophobicContact CZ-CB 4.1Å; F207-I212 HydrophobicContact CZ-CD1 3.87Å; F207-I212 HydrophobicContact CZ-CG2 3.52Å; A210-I212 PolarHBondContact O-N 2.93Å; I212-L214 HydrophobicContact CB-CD1 4.47Å; I212-L214 HydrophobicContact CD1-CD1 3.64Å; I212-L214 HydrophobicContact CG1-CD1 3.64Å; I212-L214 HydrophobicContact CG2-CD1 4.08Å; I212-K242 HydrophobicContact CG2-CB 4.29Å; I212-K242 HydrophobicContact CG2-CD 3.62Å; I212-V260 HydrophobicContact CD1-CG1 4.05Å; I212-V260 HydrophobicContact CG1-CG1 4.36Å; I212-Q261 VanDerWaalsContact CG1-O 3.28Å; I212-Q261 WeakPolarHBondContact CG1-O 3.48Å; I212-H262 HydrophobicContact CD1-CB 4.39Å; I212-H262 HydrophobicContact CG1-CB 4.13Å
213T98.4Very high97.9Very high54 Ų5445.6 Ų45.633%0.33125%0.245SC..EExtended strand (participates in β ladder)trans-113.8123.5173.1-62.70000110.1T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 3.93Å; T213-V260 WeakPolarHBondContact O-CA 3.26Å; T213-Q261 PolarHBondContact N-O 3.06Å; T213-Q261 PolarHBondContact O-N 2.92Å
214L98.4Very high97.7Very high7 Ų748.8 Ų48.84%0.03727%0.269CS..EExtended strand (participates in β ladder)trans-118.2120.5171.3-8663.4000108.2A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 3.96Å; A204-L214 HydrophobicContact CB-CD2 4.15Å; I212-L214 HydrophobicContact CB-CD1 4.47Å; I212-L214 HydrophobicContact CD1-CD1 3.64Å; I212-L214 HydrophobicContact CG1-CD1 3.64Å; I212-L214 HydrophobicContact CG2-CD1 4.08Å; L214-L229 HydrophobicContact CB-CD1 4.23Å; L214-K242 HydrophobicContact CD1-CD 4.27Å; L214-K242 HydrophobicContact CD2-CB 4.36Å; L214-K242 HydrophobicContact CD2-CG 4.43Å; L214-A244 HydrophobicContact CB-CB 4.03Å; L214-A244 HydrophobicContact CD2-CB 4.31Å; L214-H259 WeakPolarHBondContact CA-O 3.13Å; L214-V260 HydrophobicContact CD1-CG1 4.13Å; L214-V260 HydrophobicContact CG-CG2 4.34Å
215T98.3Very high97.5Very high39 Ų3957.9 Ų57.924%0.23931%0.312CS..EExtended strand (participates in β ladder)trans-130149175.958.30000111.5T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 3.93Å; T215-C258 CarbonylContact O-C 3.56Å; T215-C258 WeakPolarHBondContact O-CA 3.45Å; T215-H259 PolarHBondContact N-O 3.23Å; T215-H259 PolarHBondContact O-N 3.09Å
216W98.4Very high97.3Very high2 Ų261 Ų611%0.00833%0.329CS..EExtended strand (participates in β ladder)trans-104.7136170.1-83.3103.4000110M188 L200 C202 Q223 A244 V246 T257 C258M188-W216 HydrophobicContact CE-CH2 3.5Å; M188-W216 VanDerWaalsContact CE-CH2 3.5Å; M188-W216 HydrophobicContact CE-CZ2 4.4Å; M188-W216 HydrophobicContact CE-CZ3 4.28Å; M188-W216 HydrophobicContact SD-CH2 4.03Å; L200-W216 HydrophobicContact CB-CH2 3.61Å; L200-W216 HydrophobicContact CB-CZ2 3.83Å; L200-W216 HydrophobicContact CB-CZ3 4.45Å; L200-W216 HydrophobicContact CD1-CH2 4.04Å; L200-W216 HydrophobicContact CD1-CZ3 4.23Å; L200-W216 HydrophobicContact CG-CH2 4.48Å; C202-W216 HydrophobicContact CB-CZ2 3.72Å; W216-Q223 HydrophobicContact CB-CB 4.3Å; W216-Q223 PolarHBondContact O-N 3.13Å; W216-A244 PolarHBondContact NE1-O 3.19Å; W216-V246 HydrophobicContact CB-CG1 3.68Å; W216-V246 HydrophobicContact CB-CG2 4.46Å; W216-V246 HydrophobicContact CD2-CG1 4.28Å; W216-V246 HydrophobicContact CD2-CG2 3.61Å; W216-V246 HydrophobicContact CE3-CG2 3.92Å; W216-V246 HydrophobicContact CG-CB 4.4Å; W216-V246 HydrophobicContact CG-CG1 3.62Å; W216-V246 HydrophobicContact CG-CG2 3.87Å; W216-V246 HydrophobicContact CH2-CG2 4.47Å; W216-V246 HydrophobicContact CZ2-CG2 4.24Å; W216-V246 HydrophobicContact CZ3-CG2 4.35Å; W216-T257 WeakPolarHBondContact CA-O 3.37Å; W216-T257 VanDerWaalsContact CE3-C 3.41Å; W216-C258 HydrophobicContact CD2-CB 4.2Å; W216-C258 HydrophobicContact CE3-CB 4.18Å; W216-C258 HydrophobicContact CH2-CB 4.07Å; W216-C258 HydrophobicContact CZ2-CB 4.07Å; W216-C258 HydrophobicContact CZ3-CB 4.11Å
217Q98.4Very high97.3Very high41 Ų4160.3 Ų60.319%0.19232%0.323CS..EExtended strand (participates in β ladder)trans-119.9145.4171.3-70.5-174.6-7.500110.3E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.56Å; Q217-E221 WeakPolarHBondContact CA-O 3.44Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.29Å; Q217-D222 PolarHBondContact NE2-OD1 3.26Å; Q217-Y256 CarbonylContact O-C 3.59Å; Q217-Y256 VanDerWaalsContact O-CA 3.23Å; Q217-Y256 WeakPolarHBondContact O-CA 3.41Å; Q217-T257 PolarHBondContact N-O 3.36Å; Q217-T257 PolarHBondContact O-N 2.97Å; Q217-H259 PolarHBondContact OE1-CE1 2.73Å; Q217-H259 PolarHBondContact OE1-NE2 2.74Å
218R98Very high97.3Very high71 Ų7165.8 Ų65.827%0.26835%0.349SS..EExtended strand (participates in β ladder)trans-117.5118.4168.3-176.4-171.2-176.6172.42.8108.1G220 E221 Q223 R255 Y256R218-G220 PolarHBondContact O-N 3.12Å; R218-E221 PolarHBondContact N-O 3.19Å; R218-E221 PolarHBondContact O-N 3.36Å; R218-Q223 HydrophobicContact CB-CG 3.93Å; R218-R255 WeakPolarHBondContact CA-O 3.33Å; R218-R255 HydrophobicContact CG-CB 4.44Å; R218-Y256 HydrophobicContact CB-CD1 4.03Å; R218-Y256 HydrophobicContact CB-CE1 3.82Å; R218-Y256 WeakPolarHBondContact CD-OH 3.41Å; R218-Y256 HydrophobicContact CG-CD1 4.37Å; R218-Y256 HydrophobicContact CG-CD2 4.49Å; R218-Y256 HydrophobicContact CG-CE1 3.97Å; R218-Y256 HydrophobicContact CG-CE2 4.08Å
219D96.8Very high97.3Very high96 Ų9669.8 Ų69.851%0.51337%0.37SS..THydrogen-bonded Turntrans5128.8-174.7-50-58.2000113.9R255D219-R255 PolarHBondContact N-O 3.19Å; D219-R255 WeakPolarHBondContact OD1-CB 3.34Å; D219-R255 WeakPolarHBondContact OD1-CG 3.37Å; D219-R255 IonicContact OD1-NE 3.08Å; D219-R255 PolarHBondContact OD1-NE 2.9Å; D219-R255 VanDerWaalsContact OD1-NE 3.12Å; D219-R255 IonicContact OD2-CZ 3.15Å; D219-R255 IonicContact OD2-NE 3.96Å; D219-R255 PolarHBondContact OD2-NE 2.88Å; D219-R255 IonicContact OD2-NH2 2.6Å; D219-R255 PolarHBondContact OD2-NH2 2.91Å
220G94.3Very high97.3Very high49 Ų4970.3 Ų70.351%0.50537%0.373SS..THydrogen-bonded Turntrans92.4-2.1-177.900000115.7R218R218-G220 PolarHBondContact O-N 3.12Å
221E97.4Very high97.3Very high144 Ų14477.6 Ų77.667%0.67340%0.404SS*.EExtended strand (participates in β ladder)trans-99.2128.9177.6-63.7-173.7173.100112Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.56Å; Q217-E221 WeakPolarHBondContact CA-O 3.44Å; R218-E221 PolarHBondContact N-O 3.19Å; R218-E221 PolarHBondContact O-N 3.36Å; E221-Q223 PolarHBondContact O-NE2 2.99Å
222D97.4Very high97.3Very high94 Ų9473 Ų7350%0.50339%0.385SS..EExtended strand (participates in β ladder)trans-61.7134.8-179.4-70.8-19.2000112.3Q217Q217-D222 WeakPolarHBondContact CG-OD1 3.29Å; Q217-D222 PolarHBondContact NE2-OD1 3.26Å
223Q97.3Very high97.3Very high27 Ų2777 Ų7713%0.12640%0.4CS..  trans-105.641.5-176.8-57.6-61.7-75.400111.9W216 R218 E221 Q225 D226 T227 V246 Y256W216-Q223 HydrophobicContact CB-CB 4.3Å; W216-Q223 PolarHBondContact O-N 3.13Å; R218-Q223 HydrophobicContact CB-CG 3.93Å; E221-Q223 PolarHBondContact O-NE2 2.99Å; Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 2.89Å; Q223-D226 PolarHBondContact O-N 3.43Å; Q223-D226 VanDerWaalsContact O-N 3.17Å; Q223-T227 WeakPolarHBondContact O-CB 3.47Å; Q223-T227 PolarHBondContact O-N 2.9Å; Q223-T227 PolarHBondContact O-OG1 2.95Å; Q223-V246 HydrophobicContact CB-CG1 4.41Å; Q223-Y256 HydrophobicContact CG-CE1 4.45Å
224T94.9Very high97.2Very high112 Ų11279 Ų7969%0.68741%0.413SS*.THydrogen-bonded Turntrans-58.6-36.4-170.3-48.60000113.7
225Q95.3Very high97.2Very high191 Ų19181 Ų8189%0.89343%0.431SS*.THydrogen-bonded Turntrans-75.5-30.4-179.5-66.6-175-2.200113Q223Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 2.89Å
226D94.3Very high97Very high113 Ų11382.9 Ų82.960%0.60446%0.458SS*.THydrogen-bonded Turntrans-95.5-2.2-177-56.7-55.7000112.7Q223Q223-D226 PolarHBondContact O-N 3.43Å; Q223-D226 VanDerWaalsContact O-N 3.17Å
227T97.5Very high96.8Very high26 Ų2687.6 Ų87.616%0.1648%0.484CS..EExtended strand (participates in β ladder)trans-91119.5179.5-62.20000110.6Q223 L229 A244 S245 V246Q223-T227 WeakPolarHBondContact O-CB 3.47Å; Q223-T227 PolarHBondContact O-N 2.9Å; Q223-T227 PolarHBondContact O-OG1 2.95Å; T227-L229 HydrophobicContact CG2-CB 4.35Å; T227-L229 PolarHBondContact O-N 2.7Å; T227-A244 HydrophobicContact CG2-CB 3.9Å; T227-S245 CarbonylContact C-O 3.54Å; T227-S245 WeakPolarHBondContact CA-O 3.43Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.31Å
228E97.8Very high96.6Very high115 Ų11587.6 Ų87.654%0.53749%0.494SS..EExtended strand (participates in β ladder)trans-76.9111.9161.9-173.2-175.1-174.500108.7W243 A244 S245E228-W243 HydrophobicContact CB-CZ3 4.2Å; E228-W243 VanDerWaalsContact CD-CH2 3.42Å; E228-W243 HydrophobicContact CG-CH2 3.87Å; E228-W243 HydrophobicContact CG-CZ3 3.82Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.41Å; E228-A244 CarbonylContact O-C 3.58Å; E228-A244 WeakPolarHBondContact O-CA 3.45Å; E228-S245 PolarHBondContact N-O 3.16Å; E228-S245 PolarHBondContact O-N 3.32Å; E228-S245 PolarHBondContact OE2-OG 2.77Å
229L97.8Very high96.6Very high88 Ų8884.8 Ų84.846%0.46149%0.485SS..EExtended strand (participates in β ladder)trans-118.1119.7-179.4-173.668.6000109.7L214 T227 K242 A244L214-L229 HydrophobicContact CB-CD1 4.23Å; T227-L229 HydrophobicContact CG2-CB 4.35Å; T227-L229 PolarHBondContact O-N 2.7Å; L229-K242 HydrophobicContact CD1-CD 4.44Å; L229-A244 HydrophobicContact CD1-CB 3.58Å
230V97.7Very high96.7Very high34 Ų3481.5 Ų81.521%0.20647%0.466CS..PPolyproline II helixtrans-82.6153.4174.7-65.60000112K242 W243V230-K242 HydrophobicContact CG2-CG 4.43Å; V230-K242 WeakPolarHBondContact O-CE 3.43Å; V230-K242 WeakPolarHBondContact O-CG 3.29Å; V230-K242 PolarHBondContact O-NZ 2.96Å; V230-W243 HydrophobicContact CB-CZ2 4.4Å; V230-W243 HydrophobicContact CG1-CD2 3.97Å; V230-W243 HydrophobicContact CG1-CE3 4.31Å; V230-W243 HydrophobicContact CG1-CH2 3.57Å; V230-W243 HydrophobicContact CG1-CZ2 3.15Å; V230-W243 HydrophobicContact CG1-CZ3 4.1Å; V230-W243 HydrophobicContact CG2-CD2 3.77Å; V230-W243 HydrophobicContact CG2-CE3 4.49Å; V230-W243 HydrophobicContact CG2-CG 3.75Å; V230-W243 HydrophobicContact CG2-CZ2 4.42Å; V230-W243 WeakPolarHBondContact CG2-O 3.41Å; V230-W243 PolarHBondContact N-O 3.06Å
231E97.6Very high96.9Very high172 Ų17281.3 Ų81.380%0.80445%0.452SS*.PPolyproline II helixtrans-55.9146.6166.7-68.5-175.2173.600111R233E231-R233 PolarHBondContact O-N 3.31Å
232T98.4Very high96.9Very high46 Ų4675.5 Ų75.528%0.28242%0.424SS..PPolyproline II helixtrans-66.6129.1172.5-57.90000108F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.04Å; F207-T232 HydrophobicContact CZ-CG2 3.83Å; A210-T232 HydrophobicContact CB-CG2 4.35Å; T232-F240 HydrophobicContact CG2-CB 3.8Å; T232-F240 HydrophobicContact CG2-CD1 3.9Å; T232-F240 HydrophobicContact CG2-CG 4.12Å; T232-K242 WeakPolarHBondContact OG1-CD 3.34Å; T232-K242 PolarHBondContact OG1-NZ 2.96Å; T232-K242 VanDerWaalsContact OG1-NZ 3.13Å
233R98.1Very high97Very high96 Ų9672.1 Ų72.136%0.36241%0.405SS..EExtended strand (participates in β ladder)trans-127.2145-173.568.4-168.6-178.3-170.92.4111.4E231 F240 Q241E231-R233 PolarHBondContact O-N 3.31Å; R233-F240 WeakPolarHBondContact O-CA 3.27Å; R233-Q241 HydrophobicContact CG-CG 3.59Å; R233-Q241 PolarHBondContact N-O 2.81Å; R233-Q241 WeakPolarHBondContact O-CG 3.41Å; R233-Q241 PolarHBondContact O-N 3.2Å
234P97.8Very high97Very high96 Ų9670.9 Ų70.962%0.62340%0.399SS*.EExtended strand (participates in β ladder)trans-68.5145.217928.7-34.7000111.1F240P234-F240 HydrophobicContact CB-CE1 4.39Å
235A97.3Very high97.2Very high49 Ų4965.7 Ų65.741%0.40537%0.367SS..  trans-88.7-16.5172.900000112.9D237 T239A235-D237 WeakPolarHBondContact CB-OD1 3.38Å; A235-T239 WeakPolarHBondContact CB-O 3.27Å; A235-T239 PolarHBondContact N-O 3.48Å
236G95.1Very high97.3Very high78 Ų7856.8 Ų56.880%0.80433%0.326SS*.SBendtrans94.4-6.1179.400000114.9
237D94.1Very high97.5Very high102 Ų10255.2 Ų55.255%0.54532%0.32SS..SBendtrans-106.714.3176.862.10.3000113A235 T239A235-D237 WeakPolarHBondContact CB-OD1 3.38Å; D237-T239 WeakPolarHBondContact OD1-CB 3.3Å; D237-T239 PolarHBondContact OD1-N 2.87Å; D237-T239 PolarHBondContact OD1-OG1 2.95Å
238G93.4Very high97.5Very high40 Ų4054 Ų5441%0.41231%0.313SS..SBendtrans84.64.5-173.700000114.4Y208Y208-G238 WeakPolarHBondContact CD2-O 3.27Å
239T97.8Very high97.4Very high12 Ų1250.6 Ų50.67%0.07430%0.301CS..  trans-108.9172.7171.9730000112.3S206 F207 A235 D237S206-T239 WeakPolarHBondContact CA-OG1 3.38Å; F207-T239 CarbonylContact O-C 3.57Å; F207-T239 WeakPolarHBondContact O-CA 3.29Å; A235-T239 WeakPolarHBondContact CB-O 3.27Å; A235-T239 PolarHBondContact N-O 3.48Å; D237-T239 WeakPolarHBondContact OD1-CB 3.3Å; D237-T239 PolarHBondContact OD1-N 2.87Å; D237-T239 PolarHBondContact OD1-OG1 2.95Å
240F98.6Very high97.3Very high28 Ų2849.1 Ų49.112%0.12330%0.297CS..EExtended strand (participates in β ladder)trans-119.9162.3-178.3-64-86.3000112.2D29 S206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.78Å; D29-F240 HydrophobicContact CB-CZ 3.77Å; S206-F240 PolarHBondContact N-O 3.31Å; F207-F240 VanDerWaalsContact CD1-O 3.28Å; F207-F240 WeakPolarHBondContact CD1-O 3.27Å; F207-F240 HydrophobicContact CD2-CB 3.91Å; F207-F240 HydrophobicContact CE1-CB 4.19Å; F207-F240 WeakPolarHBondContact CE1-O 3.18Å; F207-F240 HydrophobicContact CE2-CB 3.45Å; F207-F240 VanDerWaalsContact CE2-CB 3.45Å; F207-F240 HydrophobicContact CE2-CG 4.42Å; F207-F240 HydrophobicContact CG-CB 4.42Å; F207-F240 HydrophobicContact CZ-CB 3.59Å; F207-F240 PolarHBondContact N-O 3.49Å; F207-F240 PolarHBondContact O-N 3.39Å; Y208-F240 HydrophobicContact CD2-CD2 4.46Å; Y208-F240 HydrophobicContact CD2-CE2 4.01Å; Y208-F240 HydrophobicContact CE2-CE2 4.49Å; A210-F240 HydrophobicContact CB-CD1 3.79Å; A210-F240 HydrophobicContact CB-CD2 3.75Å; A210-F240 HydrophobicContact CB-CE1 3.69Å; A210-F240 HydrophobicContact CB-CE2 3.66Å; A210-F240 HydrophobicContact CB-CG 3.83Å; A210-F240 HydrophobicContact CB-CZ 3.65Å; T232-F240 HydrophobicContact CG2-CB 3.8Å; T232-F240 HydrophobicContact CG2-CD1 3.9Å; T232-F240 HydrophobicContact CG2-CG 4.12Å; R233-F240 WeakPolarHBondContact O-CA 3.27Å; P234-F240 HydrophobicContact CB-CE1 4.39Å
241Q98.6Very high97.1Very high44 Ų4450.8 Ų50.821%0.20632%0.322CS..EExtended strand (participates in β ladder)trans-140.3147173.644.9167-21.300110.1A204 L205 R233A204-Q241 VanDerWaalsContact O-CA 3.31Å; A204-Q241 WeakPolarHBondContact O-CA 3.46Å; L205-Q241 HydrophobicContact CD2-CB 3.58Å; R233-Q241 HydrophobicContact CG-CG 3.59Å; R233-Q241 PolarHBondContact N-O 2.81Å; R233-Q241 WeakPolarHBondContact O-CG 3.41Å; R233-Q241 PolarHBondContact O-N 3.2Å
242K98.8Very high97Very high22 Ų2245.2 Ų45.210%0.09630%0.296CS..EExtended strand (participates in β ladder)trans-150.9154176.6-162.2-176.6-170.869.10109A204 F207 I212 L214 L229 V230 T232A204-K242 PolarHBondContact N-O 3.24Å; A204-K242 PolarHBondContact O-N 2.9Å; A204-K242 VanDerWaalsContact O-O 3.09Å; F207-K242 HydrophobicContact CE1-CB 4.32Å; F207-K242 HydrophobicContact CZ-CB 4.12Å; I212-K242 HydrophobicContact CG2-CB 4.29Å; I212-K242 HydrophobicContact CG2-CD 3.62Å; L214-K242 HydrophobicContact CD1-CD 4.27Å; L214-K242 HydrophobicContact CD2-CB 4.36Å; L214-K242 HydrophobicContact CD2-CG 4.43Å; L229-K242 HydrophobicContact CD1-CD 4.44Å; V230-K242 HydrophobicContact CG2-CG 4.43Å; V230-K242 WeakPolarHBondContact O-CE 3.43Å; V230-K242 WeakPolarHBondContact O-CG 3.29Å; V230-K242 PolarHBondContact O-NZ 2.96Å; T232-K242 WeakPolarHBondContact OG1-CD 3.34Å; T232-K242 PolarHBondContact OG1-NZ 2.96Å; T232-K242 VanDerWaalsContact OG1-NZ 3.13Å
243W98.5Very high96.9Very high24 Ų2444 Ų449%0.09129%0.287CS..EExtended strand (participates in β ladder)trans-142.1156.5167.759.8-99.3000111.4R201 C202 W203 E228 V230 S245R201-W243 HydrophobicContact CG-CB 3.97Å; R201-W243 HydrophobicContact CG-CD2 4.17Å; R201-W243 HydrophobicContact CG-CE3 3.99Å; R201-W243 HydrophobicContact CG-CG 4.22Å; C202-W243 CarbonylContact O-C 3.53Å; C202-W243 WeakPolarHBondContact O-CA 3.18Å; C202-W243 VanDerWaalsContact O-CB 3.26Å; C202-W243 WeakPolarHBondContact O-CB 3.33Å; W203-W243 HydrophobicContact CD2-CB 3.9Å; W203-W243 HydrophobicContact CD2-CG 4.43Å; W203-W243 HydrophobicContact CE3-CB 3.84Å; W203-W243 AromaticContact CE3-CD1 3.88Å; W203-W243 HydrophobicContact CE3-CG 4.19Å; W203-W243 HydrophobicContact CG-CB 4.35Å; W203-W243 AromaticContact CH2-CD1 3.52Å; W203-W243 HydrophobicContact CH2-CG 4.19Å; W203-W243 AromaticContact CH2-NE1 3.99Å; W203-W243 HydrophobicContact CZ2-CG 4.42Å; W203-W243 HydrophobicContact CZ3-CB 4.24Å; W203-W243 AromaticContact CZ3-CD1 3.38Å; W203-W243 HydrophobicContact CZ3-CG 4.08Å; E228-W243 HydrophobicContact CB-CZ3 4.2Å; E228-W243 VanDerWaalsContact CD-CH2 3.42Å; E228-W243 HydrophobicContact CG-CH2 3.87Å; E228-W243 HydrophobicContact CG-CZ3 3.82Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.41Å; V230-W243 HydrophobicContact CB-CZ2 4.4Å; V230-W243 HydrophobicContact CG1-CD2 3.97Å; V230-W243 HydrophobicContact CG1-CE3 4.31Å; V230-W243 HydrophobicContact CG1-CH2 3.57Å; V230-W243 HydrophobicContact CG1-CZ2 3.15Å; V230-W243 HydrophobicContact CG1-CZ3 4.1Å; V230-W243 HydrophobicContact CG2-CD2 3.77Å; V230-W243 HydrophobicContact CG2-CE3 4.49Å; V230-W243 HydrophobicContact CG2-CG 3.75Å; V230-W243 HydrophobicContact CG2-CZ2 4.42Å; V230-W243 WeakPolarHBondContact CG2-O 3.41Å; V230-W243 PolarHBondContact N-O 3.06Å; W243-S245 WeakPolarHBondContact CZ3-OG 3.4Å
244A98.4Very high96.8Very high0 Ų044.6 Ų44.60%029%0.294CS..EExtended strand (participates in β ladder)trans-129.9134.2172.800000108.4C202 L214 W216 T227 E228 L229C202-A244 PolarHBondContact N-O 3.1Å; C202-A244 PolarHBondContact O-N 3.25Å; L214-A244 HydrophobicContact CB-CB 4.03Å; L214-A244 HydrophobicContact CD2-CB 4.31Å; W216-A244 PolarHBondContact NE1-O 3.19Å; T227-A244 HydrophobicContact CG2-CB 3.9Å; E228-A244 CarbonylContact O-C 3.58Å; E228-A244 WeakPolarHBondContact O-CA 3.45Å; L229-A244 HydrophobicContact CD1-CB 3.58Å
245S98.1Very high96.8Very high4 Ų444.9 Ų44.93%0.02828%0.282CS..EExtended strand (participates in β ladder)trans-130151.5174.352.60000113.9L200 T227 E228 W243L200-S245 CarbonylContact O-C 3.5Å; L200-S245 WeakPolarHBondContact O-CA 3.43Å; L200-S245 WeakPolarHBondContact O-CB 3.47Å; T227-S245 CarbonylContact C-O 3.54Å; T227-S245 WeakPolarHBondContact CA-O 3.43Å; E228-S245 PolarHBondContact N-O 3.16Å; E228-S245 PolarHBondContact O-N 3.32Å; E228-S245 PolarHBondContact OE2-OG 2.77Å; W243-S245 WeakPolarHBondContact CZ3-OG 3.4Å
246V98.1Very high96.9Very high4 Ų443 Ų432%0.02427%0.265CS..EExtended strand (participates in β ladder)trans-129.9145174.5-730000109T199 L200 W216 Q223 T227 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.38Å; L200-V246 HydrophobicContact CB-CG2 4.28Å; L200-V246 PolarHBondContact N-O 3.38Å; L200-V246 PolarHBondContact O-N 2.83Å; W216-V246 HydrophobicContact CB-CG1 3.68Å; W216-V246 HydrophobicContact CB-CG2 4.46Å; W216-V246 HydrophobicContact CD2-CG1 4.28Å; W216-V246 HydrophobicContact CD2-CG2 3.61Å; W216-V246 HydrophobicContact CE3-CG2 3.92Å; W216-V246 HydrophobicContact CG-CB 4.4Å; W216-V246 HydrophobicContact CG-CG1 3.62Å; W216-V246 HydrophobicContact CG-CG2 3.87Å; W216-V246 HydrophobicContact CH2-CG2 4.47Å; W216-V246 HydrophobicContact CZ2-CG2 4.24Å; W216-V246 HydrophobicContact CZ3-CG2 4.35Å; Q223-V246 HydrophobicContact CB-CG1 4.41Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.31Å; V246-V248 HydrophobicContact CB-CG1 4.37Å; V246-V248 HydrophobicContact CG2-CG1 3.75Å; V246-Y256 HydrophobicContact CG2-CD1 4.01Å; V246-Y256 HydrophobicContact CG2-CE1 4.43Å
247V97.8Very high97Very high80 Ų8039.7 Ų39.749%0.48523%0.229SC..EExtended strand (participates in β ladder)trans-86127.9167.5-178.10000107.7E197 A198E197-V247 HydrophobicContact CB-CG1 4.03Å; E197-V247 HydrophobicContact CG-CG1 4.26Å; A198-V247 WeakPolarHBondContact O-CA 3.47Å
248V97.2Very high97.2Very high1 Ų134.8 Ų34.81%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-126.2146-175.7-520000110.3E197 A198 L200 V246 E253 Y256E197-V248 WeakPolarHBondContact CA-O 3.45Å; A198-V248 HydrophobicContact CB-CG2 4.44Å; A198-V248 PolarHBondContact N-O 2.88Å; A198-V248 WeakPolarHBondContact O-CG2 3.49Å; A198-V248 PolarHBondContact O-N 3.41Å; L200-V248 HydrophobicContact CD1-CG1 4Å; L200-V248 HydrophobicContact CD1-CG2 4.01Å; L200-V248 HydrophobicContact CG-CG1 4.18Å; L200-V248 HydrophobicContact CG-CG2 3.83Å; V246-V248 HydrophobicContact CB-CG1 4.37Å; V246-V248 HydrophobicContact CG2-CG1 3.75Å; V248-E253 HydrophobicContact CG2-CG 4.05Å; V248-Y256 HydrophobicContact CB-CD2 4.03Å; V248-Y256 HydrophobicContact CB-CE2 3.71Å; V248-Y256 HydrophobicContact CG1-CD1 3.76Å; V248-Y256 HydrophobicContact CG1-CD2 3.61Å; V248-Y256 HydrophobicContact CG1-CE1 3.68Å; V248-Y256 HydrophobicContact CG1-CE2 3.55Å; V248-Y256 HydrophobicContact CG1-CG 3.71Å
249P97Very high97.5Very high43 Ų4334.5 Ų34.528%0.27919%0.191SC..EExtended strand (participates in β ladder)trans-65.2138.7171.4-19.532000111.3H196 G251 Q252H196-P249 CarbonylContact O-C 3.52Å; H196-P249 WeakPolarHBondContact O-CA 3.46Å; P249-G251 PolarHBondContact O-N 3.49Å; P249-Q252 HydrophobicContact CB-CB 4.4Å; P249-Q252 HydrophobicContact CB-CG 4.14Å; P249-Q252 WeakPolarHBondContact O-CB 3.48Å; P249-Q252 PolarHBondContact O-N 2.61Å
250S94.2Very high97.5Very high56 Ų5634 Ų3439%0.39219%0.187SC..THydrogen-bonded Turntrans-53.2129.8175.3-60.60000111D195 H196 E197 Q252 E253D195-S250 PolarHBondContact O-OG 2.8Å; D195-S250 VanDerWaalsContact O-OG 3.1Å; H196-S250 PolarHBondContact O-N 2.84Å; H196-S250 PolarHBondContact O-OG 3.06Å; E197-S250 PolarHBondContact N-OG 3.26Å; S250-Q252 VanDerWaalsContact C-N 3.34Å; S250-E253 WeakPolarHBondContact CA-OE1 3.32Å
251G94.1Very high97.5Very high69 Ų6937.6 Ų37.671%0.71121%0.205SC*.THydrogen-bonded Turntrans85.2-0.4-178.200000115P249 E253P249-G251 PolarHBondContact O-N 3.49Å; G251-E253 WeakPolarHBondContact CA-OE2 3.11Å; G251-E253 VanDerWaalsContact N-CD 3.31Å; G251-E253 PolarHBondContact N-OE1 3.25Å; G251-E253 PolarHBondContact N-OE2 3.5Å
252Q96.6Very high97.5Very high56 Ų5636.2 Ų36.226%0.26220%0.198SC..  trans-106.17175.1-60.8-167.73600113.4P249 S250 Q254 R255 Y256P249-Q252 HydrophobicContact CB-CB 4.4Å; P249-Q252 HydrophobicContact CB-CG 4.14Å; P249-Q252 WeakPolarHBondContact O-CB 3.48Å; P249-Q252 PolarHBondContact O-N 2.61Å; S250-Q252 VanDerWaalsContact C-N 3.34Å; Q252-Q254 PolarHBondContact O-N 3.31Å; Q252-Q254 VanDerWaalsContact O-N 3.15Å; Q252-R255 WeakPolarHBondContact O-CB 3.48Å; Q252-R255 PolarHBondContact O-N 3.4Å; Q252-Y256 HydrophobicContact CB-CE2 4.44Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.39Å
253E96.1Very high97.4Very high19 Ų1942 Ų429%0.08923%0.226CC..G310 helixtrans-56.5-37.4-172.8-58.180.3-17600112.1L200 V248 S250 G251 R255 Y256 W273L200-E253 HydrophobicContact CD1-CB 4.12Å; L200-E253 HydrophobicContact CD1-CG 4.48Å; L200-E253 HydrophobicContact CD2-CB 4.49Å; L200-E253 HydrophobicContact CD2-CG 4.27Å; V248-E253 HydrophobicContact CG2-CG 4.05Å; S250-E253 WeakPolarHBondContact CA-OE1 3.32Å; G251-E253 WeakPolarHBondContact CA-OE2 3.11Å; G251-E253 VanDerWaalsContact N-CD 3.31Å; G251-E253 PolarHBondContact N-OE1 3.25Å; G251-E253 PolarHBondContact N-OE2 3.5Å; E253-R255 PolarHBondContact O-N 3.26Å; E253-Y256 PolarHBondContact O-N 3.12Å; E253-W273 HydrophobicContact CB-CD2 4.45Å; E253-W273 HydrophobicContact CB-CE3 3.53Å; E253-W273 HydrophobicContact CB-CZ3 4.09Å; E253-W273 HydrophobicContact CG-CE3 3.7Å; E253-W273 HydrophobicContact CG-CZ3 3.88Å
254Q96.4Very high97.3Very high109 Ų10942 Ų4251%0.50923%0.232SC..G310 helixtrans-67.8-17.1-179.6-64.6-58.1-44.300114.4Q252 W273Q252-Q254 PolarHBondContact O-N 3.31Å; Q252-Q254 VanDerWaalsContact O-N 3.15Å; Q254-W273 PolarHBondContact NE2-O 2.88Å
255R97.6Very high97.3Very high103 Ų10343.2 Ų43.239%0.38924%0.239SC..G310 helixtrans-76.4-16.6174-64.5175.467.2179.86.1112.1R218 D219 Q252 E253R218-R255 WeakPolarHBondContact CA-O 3.33Å; R218-R255 HydrophobicContact CG-CB 4.44Å; D219-R255 PolarHBondContact N-O 3.19Å; D219-R255 WeakPolarHBondContact OD1-CB 3.34Å; D219-R255 WeakPolarHBondContact OD1-CG 3.37Å; D219-R255 IonicContact OD1-NE 3.08Å; D219-R255 PolarHBondContact OD1-NE 2.9Å; D219-R255 VanDerWaalsContact OD1-NE 3.12Å; D219-R255 IonicContact OD2-CZ 3.15Å; D219-R255 IonicContact OD2-NE 3.96Å; D219-R255 PolarHBondContact OD2-NE 2.88Å; D219-R255 IonicContact OD2-NH2 2.6Å; D219-R255 PolarHBondContact OD2-NH2 2.91Å; Q252-R255 WeakPolarHBondContact O-CB 3.48Å; Q252-R255 PolarHBondContact O-N 3.4Å; E253-R255 PolarHBondContact O-N 3.26Å
256Y98.2Very high97.2Very high10 Ų1049.4 Ų49.44%0.03928%0.279CS..EExtended strand (participates in β ladder)trans-98.6132.6-177-68-99.7000111Q217 R218 Q223 V246 V248 Q252 E253Q217-Y256 CarbonylContact O-C 3.59Å; Q217-Y256 VanDerWaalsContact O-CA 3.23Å; Q217-Y256 WeakPolarHBondContact O-CA 3.41Å; R218-Y256 HydrophobicContact CB-CD1 4.03Å; R218-Y256 HydrophobicContact CB-CE1 3.82Å; R218-Y256 WeakPolarHBondContact CD-OH 3.41Å; R218-Y256 HydrophobicContact CG-CD1 4.37Å; R218-Y256 HydrophobicContact CG-CD2 4.49Å; R218-Y256 HydrophobicContact CG-CE1 3.97Å; R218-Y256 HydrophobicContact CG-CE2 4.08Å; Q223-Y256 HydrophobicContact CG-CE1 4.45Å; V246-Y256 HydrophobicContact CG2-CD1 4.01Å; V246-Y256 HydrophobicContact CG2-CE1 4.43Å; V248-Y256 HydrophobicContact CB-CD2 4.03Å; V248-Y256 HydrophobicContact CB-CE2 3.71Å; V248-Y256 HydrophobicContact CG1-CD1 3.76Å; V248-Y256 HydrophobicContact CG1-CD2 3.61Å; V248-Y256 HydrophobicContact CG1-CE1 3.68Å; V248-Y256 HydrophobicContact CG1-CE2 3.55Å; V248-Y256 HydrophobicContact CG1-CG 3.71Å; Q252-Y256 HydrophobicContact CB-CE2 4.44Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.39Å; E253-Y256 PolarHBondContact O-N 3.12Å
257T98.3Very high97.2Very high7 Ų756.4 Ų56.44%0.04331%0.309CS..EExtended strand (participates in β ladder)trans-124.9133.2174.843.50000110.5W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 3.37Å; W216-T257 VanDerWaalsContact CE3-C 3.41Å; Q217-T257 PolarHBondContact N-O 3.36Å; Q217-T257 PolarHBondContact O-N 2.97Å; T257-H259 WeakPolarHBondContact CB-NE2 3.33Å; T257-H259 PolarHBondContact OG1-NE2 3.45Å; T257-T270 HydrophobicContact CG2-CG2 3.79Å; T257-L271 CarbonylContact C-O 3.57Å; T257-L271 VanDerWaalsContact CA-O 3.29Å; T257-L271 WeakPolarHBondContact CA-O 3.5Å; T257-R272 HydrophobicContact CG2-CG 3.5Å
258C98.4Very high97.2Very high0 Ų056.3 Ų56.30%031%0.31CS..EExtended strand (participates in β ladder)trans-90.8132.6166.7174.50000109.7M188 C202 T215 W216 T270 L271M188-C258 HydrophobicContact SD-CB 4.5Å; C202-C258 HydrophobicContact CB-CB 3.46Å; C202-C258 VanDerWaalsContact CB-CB 3.46Å; C202-C258 WeakPolarHBondContact CB-SG 3.43Å; C202-C258 WeakPolarHBondContact SG-CB 2.91Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 2.76Å; T215-C258 CarbonylContact O-C 3.56Å; T215-C258 WeakPolarHBondContact O-CA 3.45Å; W216-C258 HydrophobicContact CD2-CB 4.2Å; W216-C258 HydrophobicContact CE3-CB 4.18Å; W216-C258 HydrophobicContact CH2-CB 4.07Å; W216-C258 HydrophobicContact CZ2-CB 4.07Å; W216-C258 HydrophobicContact CZ3-CB 4.11Å; C258-T270 CarbonylContact O-C 3.58Å; C258-T270 WeakPolarHBondContact O-CA 3.33Å; C258-L271 HydrophobicContact CB-CB 4.25Å; C258-L271 PolarHBondContact N-O 3.33Å; C258-L271 PolarHBondContact O-N 3.35Å
259H98.4Very high97.2Very high34 Ų3458.7 Ų58.716%0.15732%0.322CS..EExtended strand (participates in β ladder)trans-112.3130.6176.5-64.2-108.9000109.6L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.13Å; T215-H259 PolarHBondContact N-O 3.23Å; T215-H259 PolarHBondContact O-N 3.09Å; Q217-H259 PolarHBondContact OE1-CE1 2.73Å; Q217-H259 PolarHBondContact OE1-NE2 2.74Å; T257-H259 WeakPolarHBondContact CB-NE2 3.33Å; T257-H259 PolarHBondContact OG1-NE2 3.45Å; H259-L269 VanDerWaalsContact CA-O 3.31Å; H259-L269 WeakPolarHBondContact CA-O 3.15Å; H259-T270 PolarHBondContact CE1-OG1 3.3Å; H259-T270 PolarHBondContact ND1-OG1 2.67Å
260V98.6Very high97.3Very high0 Ų060.5 Ų60.50%033%0.333CS..EExtended strand (participates in β ladder)trans-123.8123.6-178-173.80000109.5P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.95Å; T186-V260 HydrophobicContact CG2-CB 4.32Å; T186-V260 HydrophobicContact CG2-CG1 4.09Å; T186-V260 HydrophobicContact CG2-CG2 3.98Å; I212-V260 HydrophobicContact CD1-CG1 4.05Å; I212-V260 HydrophobicContact CG1-CG1 4.36Å; T213-V260 WeakPolarHBondContact O-CA 3.26Å; L214-V260 HydrophobicContact CD1-CG1 4.13Å; L214-V260 HydrophobicContact CG-CG2 4.34Å; V260-L265 HydrophobicContact CG1-CD1 4.2Å; V260-P268 WeakPolarHBondContact O-CA 3.23Å; V260-L269 HydrophobicContact CB-CB 4.33Å; V260-L269 PolarHBondContact N-O 3.41Å; V260-L269 PolarHBondContact O-N 3.35Å; V260-L271 HydrophobicContact CG2-CD1 3.84Å
261Q98.6Very high97.4Very high105 Ų10559.5 Ų59.549%0.49132%0.323SS..EExtended strand (participates in β ladder)trans-120.1131.7173.5-53.4-1776.800109.6I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.28Å; I212-Q261 WeakPolarHBondContact CG1-O 3.48Å; T213-Q261 PolarHBondContact N-O 3.06Å; T213-Q261 PolarHBondContact O-N 2.92Å; Q261-P268 HydrophobicContact CG-CB 4.08Å; Q261-P268 HydrophobicContact CG-CG 4.13Å
262H98.5Very high97.4Very high14 Ų1463.5 Ų63.57%0.06532%0.317CS..  trans-157145.9179.9-176.8-98.3000108.4D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 2.92Å; P184-H262 HydrophobicContact CG-CB 3.99Å; F207-H262 AromaticContact CD2-CD2 3.82Å; F207-H262 AromaticContact CD2-NE2 3.72Å; Y208-H262 PolarHBondContact O-CE1 3.29Å; P209-H262 PolarHBondContact O-NE2 2.75Å; E211-H262 PolarHBondContact O-CD2 2.76Å; E211-H262 VanDerWaalsContact O-CD2 3.27Å; I212-H262 HydrophobicContact CD1-CB 4.39Å; I212-H262 HydrophobicContact CG1-CB 4.13Å; H262-G264 PolarHBondContact ND1-N 3.19Å; H262-G264 PolarHBondContact O-N 3.42Å; H262-L265 HydrophobicContact CB-CD1 3.99Å; H262-L265 HydrophobicContact CB-CG 4.17Å; H262-L265 WeakPolarHBondContact O-CB 3.41Å; H262-L265 PolarHBondContact O-N 3.07Å
263E96.6Very high97.1Very high145 Ų14567.9 Ų67.968%0.67833%0.331SS*.THydrogen-bonded Turntrans-58.8-32.4-178.1-176.1172.6176.100112.7T181 L265T181-E263 HydrophobicContact CG2-CB 4.1Å; T181-E263 HydrophobicContact CG2-CG 4.26Å; E263-L265 PolarHBondContact O-N 3.29Å
264G96.3Very high97.2Very high22 Ų2270.3 Ų70.323%0.22734%0.343CS..THydrogen-bonded Turntrans-72.4-7.5177.200000114.7A183 H262A183-G264 WeakPolarHBondContact CB-O 3.17Å; H262-G264 PolarHBondContact ND1-N 3.19Å; H262-G264 PolarHBondContact O-N 3.42Å
265L97.9Very high97.2Very high26 Ų2668.3 Ų68.314%0.13633%0.334CS..  trans-94.8126176.8-67.1170.4000110.1A183 P184 V260 H262 E263 K267 L269A183-L265 HydrophobicContact CB-CD2 4.02Å; P184-L265 HydrophobicContact CG-CD1 3.87Å; P184-L265 HydrophobicContact CG-CD2 4.42Å; P184-L265 HydrophobicContact CG-CG 4.18Å; V260-L265 HydrophobicContact CG1-CD1 4.2Å; H262-L265 HydrophobicContact CB-CD1 3.99Å; H262-L265 HydrophobicContact CB-CG 4.17Å; H262-L265 WeakPolarHBondContact O-CB 3.41Å; H262-L265 PolarHBondContact O-N 3.07Å; E263-L265 PolarHBondContact O-N 3.29Å; L265-K267 WeakPolarHBondContact CB-O 3.44Å; L265-K267 PolarHBondContact O-N 3.27Å; L265-L269 HydrophobicContact CD1-CD1 4.04Å; L265-L269 HydrophobicContact CD1-CG 3.91Å; L265-L269 HydrophobicContact CD2-CD1 3.73Å; L265-L269 HydrophobicContact CD2-CD2 4.44Å; L265-L269 HydrophobicContact CD2-CG 3.96Å
266P96.9Very high97.2Very high135 Ų13566.3 Ų66.388%0.87733%0.331SS*.SBendtrans-65.9-21.3177.127.3-35000112.8
267K97.1Very high97.2Very high151 Ų15169.6 Ų69.666%0.65735%0.348SS*.SBendtrans-151.5151.3171.960.3-179.1179.5178.30109.4L265L265-K267 WeakPolarHBondContact CB-O 3.44Å; L265-K267 PolarHBondContact O-N 3.27Å
268P97.8Very high97.1Very high78 Ų7873.6 Ų73.651%0.50637%0.367SS..  trans-52.2143.8172.8-27.736.2000112.3V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.23Å; Q261-P268 HydrophobicContact CG-CB 4.08Å; Q261-P268 HydrophobicContact CG-CG 4.13Å
269L98.1Very high97Very high50 Ų5078.5 Ų78.526%0.26239%0.392SS..EExtended strand (participates in β ladder)trans-94144.2173.9-61.2178.2000110.2T186 H259 V260 L265T186-L269 HydrophobicContact CG2-CD1 4.14Å; H259-L269 VanDerWaalsContact CA-O 3.31Å; H259-L269 WeakPolarHBondContact CA-O 3.15Å; V260-L269 HydrophobicContact CB-CB 4.33Å; V260-L269 PolarHBondContact N-O 3.41Å; V260-L269 PolarHBondContact O-N 3.35Å; L265-L269 HydrophobicContact CD1-CD1 4.04Å; L265-L269 HydrophobicContact CD1-CG 3.91Å; L265-L269 HydrophobicContact CD2-CD1 3.73Å; L265-L269 HydrophobicContact CD2-CD2 4.44Å; L265-L269 HydrophobicContact CD2-CG 3.96Å
270T98Very high96.9Very high82 Ų8281.6 Ų81.650%0.50341%0.408SS..EExtended strand (participates in β ladder)trans-123.1121.2169.9-59.20000108.1T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.79Å; C258-T270 CarbonylContact O-C 3.58Å; C258-T270 WeakPolarHBondContact O-CA 3.33Å; H259-T270 PolarHBondContact CE1-OG1 3.3Å; H259-T270 PolarHBondContact ND1-OG1 2.67Å
271L96.8Very high96.8Very high34 Ų3487.9 Ų87.918%0.17844%0.44CS..EExtended strand (participates in β ladder)trans-116.2143.3-174.8-60.5147.1000109.2T186 M188 T257 C258 V260T186-L271 HydrophobicContact CG2-CD1 4.17Å; M188-L271 HydrophobicContact CG-CB 4.34Å; M188-L271 HydrophobicContact SD-CB 3.74Å; T257-L271 CarbonylContact C-O 3.57Å; T257-L271 VanDerWaalsContact CA-O 3.29Å; T257-L271 WeakPolarHBondContact CA-O 3.5Å; C258-L271 HydrophobicContact CB-CB 4.25Å; C258-L271 PolarHBondContact N-O 3.33Å; C258-L271 PolarHBondContact O-N 3.35Å; V260-L271 HydrophobicContact CG2-CD1 3.84Å
272R94.8Very high96.6Very high154 Ų15486.5 Ų86.558%0.58144%0.435SS*.  trans-129.5158.8169-68.9-171.9177.7125.74.8108.5T257T257-R272 HydrophobicContact CG2-CG 3.5Å
273W90.7Very high96.4Very high147 Ų14793.1 Ų93.156%0.55747%0.469SS*.  trans-71.40172.8-179.856.5000110.6M188 H190 L200 E253 Q254M188-W273 HydrophobicContact CE-CB 3.54Å; H190-W273 HydrophobicContact CB-CD2 4.32Å; H190-W273 HydrophobicContact CB-CG 4.36Å; H190-W273 HydrophobicContact CB-CZ2 4.21Å; H190-W273 AromaticContact CG-CE2 3.87Å; H190-W273 AromaticContact CG-CZ2 3.92Å; L200-W273 HydrophobicContact CD2-CB 4.07Å; L200-W273 HydrophobicContact CD2-CG 4.16Å; E253-W273 HydrophobicContact CB-CD2 4.45Å; E253-W273 HydrophobicContact CB-CE3 3.53Å; E253-W273 HydrophobicContact CB-CZ3 4.09Å; E253-W273 HydrophobicContact CG-CE3 3.7Å; E253-W273 HydrophobicContact CG-CZ3 3.88Å; Q254-W273 PolarHBondContact NE2-O 2.88Å

Retrieved 273 of 273 residues in 362.2 ms (Link to these results)

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