A0A060VHF3_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VHF3, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 339 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1S93.3Very high98Very high108 Ų10836.7 Ų36.776%0.75520%0.204SC*.  0159.2040.80000107.5V102S1-V102 WeakPolarHBondContact CA-O 3.46Å; S1-V102 VanDerWaalsContact CB-O 3.28Å; S1-V102 WeakPolarHBondContact CB-O 3.36Å
2H96.9Very high97.9Very high36 Ų3635.1 Ų35.117%0.16720%0.197CC..EExtended strand (participates in β ladder)trans-136.4161.1179.5-63.6-78.4000111.2D28 D101 V102 L171H2-D28 WeakPolarHBondContact CA-OD1 3.38Å; H2-D28 IonicContact CE1-OD2 2.78Å; H2-D28 IonicContact CG-OD2 3.5Å; H2-D28 IonicContact ND1-OD1 3.26Å; H2-D28 IonicContact ND1-OD2 3.84Å; H2-D28 PolarHBondContact ND1-OD2 2.87Å; H2-D101 CarbonylContact O-C 3.52Å; H2-D101 WeakPolarHBondContact O-CA 3.28Å; H2-V102 HydrophobicContact CB-CG2 4Å; H2-V102 PolarHBondContact N-O 2.9Å; H2-V102 PolarHBondContact O-N 3.23Å; H2-L171 HydrophobicContact CB-CD1 3.44Å; H2-L171 VanDerWaalsContact CB-CD1 3.44Å; H2-L171 HydrophobicContact CB-CD2 4.29Å
3S98Very high97.8Very high22 Ų2237.5 Ų37.515%0.15420%0.201CC..EExtended strand (participates in β ladder)trans-138.5150.1179.766.40000112V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.6Å; S3-V27 WeakPolarHBondContact O-CA 3.44Å; S3-D28 PolarHBondContact N-OD1 3.36Å; S3-D28 PolarHBondContact O-N 2.94Å; S3-D28 PolarHBondContact OG-OD1 3.48Å; S3-C100 WeakPolarHBondContact CA-O 3.34Å; S3-D101 WeakPolarHBondContact CB-OD1 3.26Å
4M98.6Very high97.4Very high0 Ų038.8 Ų38.80%021%0.212CC..EExtended strand (participates in β ladder)trans-122.2123.7166.1-176.5172.561.900108.6Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.12Å; M4-Y6 HydrophobicContact CG-CE2 4Å; M4-Y6 HydrophobicContact SD-CE2 3.9Å; M4-Y26 CarbonylContact C-O 3.59Å; M4-Y26 WeakPolarHBondContact CA-O 3.31Å; M4-V27 HydrophobicContact CG-CG2 4.43Å; M4-F32 HydrophobicContact CG-CE1 4.41Å; M4-F32 HydrophobicContact SD-CZ 4.32Å; M4-G99 CarbonylContact O-C 3.58Å; M4-G99 WeakPolarHBondContact O-CA 3.3Å; M4-C100 PolarHBondContact N-O 3.33Å; M4-C100 PolarHBondContact O-N 3.48Å; M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 VanDerWaalsContact CE-O 3.27Å; M4-C163 WeakPolarHBondContact CE-O 3.41Å; M4-C163 WeakPolarHBondContact CE-SG 3.32Å; M4-W166 HydrophobicContact CE-CB 4.03Å; M4-W166 HydrophobicContact SD-CB 4.35Å; M4-L167 HydrophobicContact CB-CB 4.1Å; M4-L167 HydrophobicContact CB-CD1 3.89Å; M4-L167 HydrophobicContact CB-CD2 4.28Å; M4-L167 HydrophobicContact CB-CG 4.29Å; M4-Y170 HydrophobicContact SD-CD2 3.75Å; M4-Y170 HydrophobicContact SD-CE2 3.49Å; M4-Y170 WeakPolarHBondContact SD-CE2 3.37Å
5R98.6Very high96.9Very high49 Ų4942.3 Ų42.319%0.18526%0.261CS..EExtended strand (participates in β ladder)trans-131.1135.8-177.1-55.6-62.5-179.775.25.3111.2F7 G25 Y26 D101 Y112R5-F7 HydrophobicContact CB-CD2 4.47Å; R5-F7 HydrophobicContact CB-CE2 3.63Å; R5-F7 HydrophobicContact CB-CZ 3.98Å; R5-G25 CarbonylContact O-C 3.59Å; R5-G25 WeakPolarHBondContact O-CA 3.5Å; R5-Y26 PolarHBondContact N-O 3.3Å; R5-Y26 PolarHBondContact O-N 2.96Å; R5-D101 IonicContact CZ-OD1 2.72Å; R5-D101 IonicContact NE-OD1 3.71Å; R5-D101 PolarHBondContact NE-OD1 3.41Å; R5-D101 VanDerWaalsContact NH2-CG 3.26Å; R5-D101 IonicContact NH2-OD1 3.43Å; R5-D101 PolarHBondContact NH2-OD1 3.29Å; R5-D101 IonicContact NH2-OD2 3.3Å; R5-D101 PolarHBondContact NH2-OD2 3.42Å; R5-Y112 VanDerWaalsContact CZ-CE2 3.46Å; R5-Y112 VanDerWaalsContact NH2-CZ 3.28Å; R5-Y112 PolarHBondContact NH2-OH 2.87Å
6Y98.8Very high96.6Very high7 Ų753.3 Ų53.33%0.02730%0.296CS..EExtended strand (participates in β ladder)trans-114.4136.5171.5-70.2-89.2000109.9M4 F8 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.12Å; M4-Y6 HydrophobicContact CG-CE2 4Å; M4-Y6 HydrophobicContact SD-CE2 3.9Å; Y6-F8 HydrophobicContact CD1-CE1 4.28Å; Y6-V24 CarbonylContact C-O 3.57Å; Y6-V24 WeakPolarHBondContact CA-O 3.33Å; Y6-F32 AromaticContact CE1-CZ 3.94Å; Y6-F32 HydrophobicContact CE1-CZ 3.94Å; Y6-F32 HydrophobicContact CE2-CZ 4.47Å; Y6-F32 AromaticContact CZ-CZ 3.68Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.32Å; Y6-V33 HydrophobicContact CE1-CG2 3.93Å; Y6-M97 WeakPolarHBondContact O-CA 3.5Å; Y6-Y98 AromaticContact CD2-CE2 3.72Å; Y6-Y98 HydrophobicContact CD2-CE2 3.72Å; Y6-Y98 AromaticContact CD2-CZ 3.77Å; Y6-Y98 HydrophobicContact CE2-CE2 4.48Å; Y6-Y98 HydrophobicContact CG-CE1 4.27Å; Y6-Y98 HydrophobicContact CG-CE2 4.21Å; Y6-Y98 AromaticContact CG-CZ 3.78Å; Y6-Y98 PolarHBondContact N-O 3.37Å; Y6-Y98 PolarHBondContact O-N 3.27Å; Y6-Y98 VanDerWaalsContact O-N 3.1Å
7F98.8Very high96.3Very high85 Ų8553.7 Ų53.737%0.37332%0.315SS..EExtended strand (participates in β ladder)trans-124.3118.5178.9-56.9-97.7000109.5R5 A23 V24 Y26 R96 M97R5-F7 HydrophobicContact CB-CD2 4.47Å; R5-F7 HydrophobicContact CB-CE2 3.63Å; R5-F7 HydrophobicContact CB-CZ 3.98Å; F7-A23 WeakPolarHBondContact O-CA 3.31Å; F7-V24 HydrophobicContact CB-CG2 3.83Å; F7-V24 HydrophobicContact CD2-CG2 4.31Å; F7-V24 PolarHBondContact N-O 2.89Å; F7-V24 PolarHBondContact O-N 3.41Å; F7-Y26 HydrophobicContact CD2-CD2 4.15Å; F7-Y26 HydrophobicContact CE2-CD2 4.17Å; F7-R96 WeakPolarHBondContact CA-O 3.46Å; F7-M97 HydrophobicContact CD1-CB 3.97Å; F7-M97 HydrophobicContact CD1-CG 3.58Å; F7-M97 HydrophobicContact CE1-CB 4.13Å; F7-M97 HydrophobicContact CE1-CG 3.33Å; F7-M97 HydrophobicContact CG-CG 4.38Å; F7-M97 HydrophobicContact CZ-CG 3.94Å
8F98.8Very high96.2Very high6 Ų655.9 Ų55.93%0.02632%0.322CS..EExtended strand (participates in β ladder)trans-113.2133.2177.8-57.4-14.3000109.3Y6 F21 I22 A23 H69 Q95 R96 Y98Y6-F8 HydrophobicContact CD1-CE1 4.28Å; F8-F21 HydrophobicContact CB-CE2 3.9Å; F8-F21 HydrophobicContact CB-CZ 3.76Å; F8-F21 HydrophobicContact CD1-CZ 4.35Å; F8-F21 AromaticContact CD2-CZ 3.92Å; F8-F21 HydrophobicContact CD2-CZ 3.92Å; F8-F21 HydrophobicContact CG-CE2 4.36Å; F8-F21 AromaticContact CG-CZ 3.76Å; F8-F21 HydrophobicContact CG-CZ 3.76Å; F8-I22 CarbonylContact C-O 3.6Å; F8-I22 WeakPolarHBondContact CA-O 3.42Å; F8-A23 HydrophobicContact CD1-CB 3.26Å; F8-A23 HydrophobicContact CE1-CB 3.49Å; F8-A23 VanDerWaalsContact CE1-CB 3.49Å; F8-A23 HydrophobicContact CG-CB 4.17Å; F8-A23 HydrophobicContact CZ-CB 4.5Å; F8-H69 HydrophobicContact CD2-CB 4.15Å; F8-H69 HydrophobicContact CE2-CB 3.91Å; F8-H69 AromaticContact CE2-CD2 3.47Å; F8-H69 VanDerWaalsContact CE2-CD2 3.47Å; F8-H69 WeakPolarHBondContact CE2-CD2 3.33Å; F8-H69 AromaticContact CE2-CG 3.66Å; F8-Q95 CarbonylContact O-C 3.58Å; F8-Q95 VanDerWaalsContact O-CA 3.28Å; F8-Q95 WeakPolarHBondContact O-CA 3.34Å; F8-R96 HydrophobicContact CB-CB 4.35Å; F8-R96 PolarHBondContact N-O 2.84Å; F8-R96 PolarHBondContact O-N 3.32Å; F8-Y98 HydrophobicContact CD2-CE1 4.26Å; F8-Y98 HydrophobicContact CE1-CE1 4.18Å; F8-Y98 AromaticContact CE2-CE1 3.57Å; F8-Y98 HydrophobicContact CE2-CE1 3.57Å; F8-Y98 AromaticContact CZ-CE1 3.53Å; F8-Y98 HydrophobicContact CZ-CE1 3.53Å; F8-Y98 AromaticContact CZ-CZ 3.91Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.4Å
9T98.8Very high96.2Very high42 Ų4254.2 Ų54.226%0.25831%0.313SS..EExtended strand (participates in β ladder)trans-130125.7176.8-55.60000108.8V11 F21 I22 T93 V94 Q95T9-V11 HydrophobicContact CG2-CG2 4.14Å; T9-F21 WeakPolarHBondContact O-CA 3.43Å; T9-I22 PolarHBondContact N-O 2.97Å; T9-I22 PolarHBondContact O-N 3.05Å; T9-T93 HydrophobicContact CG2-CG2 3.88Å; T9-V94 WeakPolarHBondContact CA-O 3.37Å; T9-Q95 HydrophobicContact CG2-CG 3.97Å
10S98.6Very high96.3Very high1 Ų156.1 Ų56.11%0.00732%0.315CS..EExtended strand (participates in β ladder)trans-116.9130.5170.8-163.60000110.5R20 L77 T93 V94S10-R20 CarbonylContact C-O 3.6Å; S10-R20 WeakPolarHBondContact CA-O 3.38Å; S10-R20 PolarHBondContact OG-O 3.3Å; S10-L77 WeakPolarHBondContact OG-CD1 3.36Å; S10-T93 CarbonylContact O-C 3.58Å; S10-T93 VanDerWaalsContact O-CA 3.29Å; S10-T93 WeakPolarHBondContact O-CA 3.29Å; S10-V94 PolarHBondContact N-O 2.61Å; S10-V94 PolarHBondContact O-N 2.98Å
11V98.4Very high96.4Very high48 Ų4853.4 Ų53.429%0.29130%0.3SS..EExtended strand (participates in β ladder)trans-121116.6179.8-174.90000108.4T9 P19 R20 H92 T93T9-V11 HydrophobicContact CG2-CG2 4.14Å; V11-P19 CarbonylContact O-C 3.55Å; V11-P19 WeakPolarHBondContact O-CA 3.32Å; V11-P19 WeakPolarHBondContact O-CB 3.27Å; V11-R20 PolarHBondContact N-O 2.98Å; V11-R20 PolarHBondContact O-N 3.48Å; V11-H92 WeakPolarHBondContact CA-O 3.47Å; V11-T93 HydrophobicContact CG2-CG2 4.16Å
12S97.6Very high96.7Very high17 Ų1750.2 Ų50.212%0.11927%0.274CS..  trans-67.2150.4175.771.90000110.8S91 H92S12-S91 PolarHBondContact O-OG 2.93Å; S12-H92 PolarHBondContact N-O 3Å; S12-H92 PolarHBondContact OG-N 3.32Å; S12-H92 PolarHBondContact OG-O 2.79Å
13R96.3Very high96.8Very high67 Ų6748.6 Ų48.625%0.25327%0.266SS..  trans-135.271.2-176.1-64.1-175.3-78-163.3-8.5110.6G15 R16 E18 R20 D38R13-G15 PolarHBondContact O-N 2.91Å; R13-R16 HydrophobicContact CB-CB 4.09Å; R13-R16 PolarHBondContact O-N 3.42Å; R13-E18 VanDerWaalsContact CZ-O 3.3Å; R13-E18 PolarHBondContact NE-O 3.12Å; R13-E18 PolarHBondContact NH2-O 3.31Å; R13-R20 VanDerWaalsContact CZ-CB 3.45Å; R13-D38 IonicContact CZ-OD1 3.59Å; R13-D38 IonicContact CZ-OD2 2.69Å; R13-D38 IonicContact NH1-OD1 2.69Å; R13-D38 PolarHBondContact NH1-OD1 3.48Å; R13-D38 IonicContact NH1-OD2 2.82Å; R13-D38 PolarHBondContact NH1-OD2 3.49Å; R13-D38 IonicContact NH2-OD1 3.61Å; R13-D38 PolarHBondContact NH2-OD1 2.89Å; R13-D38 IonicContact NH2-OD2 3Å
14P92.1Very high96.8Very high55 Ų5548.7 Ų48.736%0.35727%0.266SS..THydrogen-bonded Turntrans-50.3127.2-177.4-26.434.1000112.2R16 E88 G90P14-R16 PolarHBondContact O-N 3.49Å; P14-E88 WeakPolarHBondContact CB-O 3.27Å; P14-E88 WeakPolarHBondContact CG-O 3.36Å; P14-G90 WeakPolarHBondContact CG-O 3.18Å
15G90.3Very high96.8Very high92 Ų9248.7 Ų48.795%0.94827%0.266SS*.THydrogen-bonded Turntrans715-178.600000115.9R13R13-G15 PolarHBondContact O-N 2.91Å
16R92.4Very high96.8Very high218 Ų21849.7 Ų49.782%0.82327%0.27SS*.SBendtrans-12725.1-178.2-59.8-178-179.1-175.20.1113.2R13 P14R13-R16 HydrophobicContact CB-CB 4.09Å; R13-R16 PolarHBondContact O-N 3.42Å; P14-R16 PolarHBondContact O-N 3.49Å
17G91.4Very high96.8Very high60 Ų6049.3 Ų49.362%0.61927%0.269SS*.SBendtrans93.5-156.5177.200000113.9
18E94.1Very high96.7Very high94 Ų9446.7 Ų46.744%0.43926%0.259SS..SBendtrans-70153.1-176.8-66.4-63.3165.300112.4R13 R20 R74R13-E18 VanDerWaalsContact CZ-O 3.3Å; R13-E18 PolarHBondContact NE-O 3.12Å; R13-E18 PolarHBondContact NH2-O 3.31Å; E18-R20 PolarHBondContact O-N 3.45Å; E18-R74 IonicContact OE1-CZ 3.54Å; E18-R74 IonicContact OE1-NH1 3.45Å; E18-R74 PolarHBondContact OE1-NH1 2.89Å; E18-R74 IonicContact OE1-NH2 2.97Å; E18-R74 PolarHBondContact OE1-NH2 3.02Å; E18-R74 WeakPolarHBondContact OE2-CD 3.46Å; E18-R74 IonicContact OE2-CZ 2.74Å; E18-R74 IonicContact OE2-NE 3.42Å; E18-R74 PolarHBondContact OE2-NE 3.24Å; E18-R74 IonicContact OE2-NH1 3.48Å; E18-R74 PolarHBondContact OE2-NH1 3.24Å; E18-R74 IonicContact OE2-NH2 3.56Å; E18-R74 PolarHBondContact OE2-NH2 2.86Å
19P96.9Very high96.5Very high23 Ų2349.5 Ų49.515%0.14927%0.274CS..PPolyproline II helixtrans-52.1138.6172.2-25.634.9000111.9V11 R74 L77V11-P19 CarbonylContact O-C 3.55Å; V11-P19 WeakPolarHBondContact O-CA 3.32Å; V11-P19 WeakPolarHBondContact O-CB 3.27Å; P19-R74 HydrophobicContact CG-CG 4.33Å; P19-L77 HydrophobicContact CB-CD1 3.56Å; P19-L77 HydrophobicContact CG-CD1 3.65Å
20R98.1Very high96.4Very high91 Ų9148.5 Ų48.534%0.34327%0.268SS..EExtended strand (participates in β ladder)trans-73.4131.8170.9-167.2172.8176.7-177.1-2.4107.8S10 V11 R13 E18 I22 D36 D38S10-R20 CarbonylContact C-O 3.6Å; S10-R20 WeakPolarHBondContact CA-O 3.38Å; S10-R20 PolarHBondContact OG-O 3.3Å; V11-R20 PolarHBondContact N-O 2.98Å; V11-R20 PolarHBondContact O-N 3.48Å; R13-R20 VanDerWaalsContact CZ-CB 3.45Å; E18-R20 PolarHBondContact O-N 3.45Å; R20-I22 HydrophobicContact CG-CG1 4.32Å; R20-D36 IonicContact CZ-OD1 3.53Å; R20-D36 IonicContact CZ-OD2 3.51Å; R20-D36 IonicContact NE-OD1 3.36Å; R20-D36 PolarHBondContact NE-OD1 3.34Å; R20-D36 VanDerWaalsContact NE-OD1 3.13Å; R20-D36 IonicContact NE-OD2 2.78Å; R20-D36 IonicContact NH2-OD1 3.7Å; R20-D36 IonicContact NH2-OD2 3.03Å; R20-D36 PolarHBondContact NH2-OD2 3.4Å; R20-D38 VanDerWaalsContact CD-OD2 3.3Å; R20-D38 WeakPolarHBondContact CD-OD2 3.37Å; R20-D38 IonicContact NE-OD2 2.9Å
21F98.6Very high96.4Very high0 Ų050.8 Ų50.80%028%0.279CS..EExtended strand (participates in β ladder)trans-120.1123.7175.2-178.4-89.7000109.8F8 T9 A23 F35 S37 V66 H69 S70 H73F8-F21 HydrophobicContact CB-CE2 3.9Å; F8-F21 HydrophobicContact CB-CZ 3.76Å; F8-F21 HydrophobicContact CD1-CZ 4.35Å; F8-F21 AromaticContact CD2-CZ 3.92Å; F8-F21 HydrophobicContact CD2-CZ 3.92Å; F8-F21 HydrophobicContact CG-CE2 4.36Å; F8-F21 AromaticContact CG-CZ 3.76Å; F8-F21 HydrophobicContact CG-CZ 3.76Å; T9-F21 WeakPolarHBondContact O-CA 3.43Å; F21-A23 HydrophobicContact CE1-CB 3.75Å; F21-A23 HydrophobicContact CZ-CB 4.24Å; F21-F35 AromaticContact CD1-CD1 3.82Å; F21-F35 HydrophobicContact CD1-CD1 3.82Å; F21-F35 AromaticContact CD1-CE1 3.88Å; F21-F35 HydrophobicContact CD1-CE1 3.88Å; F21-F35 HydrophobicContact CE1-CD1 4.21Å; F21-S37 PolarHBondContact N-OG 3.01Å; F21-S37 PolarHBondContact O-N 3.29Å; F21-S37 PolarHBondContact O-OG 3.35Å; F21-V66 HydrophobicContact CE1-CG2 3.66Å; F21-V66 HydrophobicContact CZ-CG2 4.45Å; F21-H69 HydrophobicContact CZ-CB 4.14Å; F21-S70 WeakPolarHBondContact CB-OG 3.27Å; F21-H73 HydrophobicContact CD2-CB 4.05Å; F21-H73 HydrophobicContact CE2-CB 4.07Å; F21-H73 AromaticContact CE2-CD2 3.88Å; F21-H73 AromaticContact CE2-CG 3.66Å; F21-H73 AromaticContact CE2-ND1 3.79Å
22I98.8Very high96.3Very high42 Ų4248.5 Ų48.522%0.21527%0.265CS..EExtended strand (participates in β ladder)trans-121.1132176-57.8174.2000107.8F8 T9 R20 V24 F35F8-I22 CarbonylContact C-O 3.6Å; F8-I22 WeakPolarHBondContact CA-O 3.42Å; T9-I22 PolarHBondContact N-O 2.97Å; T9-I22 PolarHBondContact O-N 3.05Å; R20-I22 HydrophobicContact CG-CG1 4.32Å; I22-V24 HydrophobicContact CG2-CG1 4.38Å; I22-F35 WeakPolarHBondContact CA-O 3.45Å
23A98.8Very high96.4Very high1 Ų147.8 Ų47.81%0.00826%0.26CS..EExtended strand (participates in β ladder)trans-125.2138.2171.600000110.2F7 F8 F21 R34 F35 V66F7-A23 WeakPolarHBondContact O-CA 3.31Å; F8-A23 HydrophobicContact CD1-CB 3.26Å; F8-A23 HydrophobicContact CE1-CB 3.49Å; F8-A23 VanDerWaalsContact CE1-CB 3.49Å; F8-A23 HydrophobicContact CG-CB 4.17Å; F8-A23 HydrophobicContact CZ-CB 4.5Å; F21-A23 HydrophobicContact CE1-CB 3.75Å; F21-A23 HydrophobicContact CZ-CB 4.24Å; A23-R34 CarbonylContact O-C 3.59Å; A23-R34 VanDerWaalsContact O-CA 3.32Å; A23-R34 WeakPolarHBondContact O-CA 3.43Å; A23-F35 HydrophobicContact CB-CB 4.25Å; A23-F35 PolarHBondContact N-O 2.91Å; A23-F35 PolarHBondContact O-N 3.46Å; A23-V66 HydrophobicContact CB-CG2 3.63Å
24V98.8Very high96.5Very high24 Ų2447.8 Ų47.815%0.14526%0.26CS..EExtended strand (participates in β ladder)trans-134.7144.8174.5-62.60000109.8Y6 F7 I22 Y26 Q31 V33 R34Y6-V24 CarbonylContact C-O 3.57Å; Y6-V24 WeakPolarHBondContact CA-O 3.33Å; F7-V24 HydrophobicContact CB-CG2 3.83Å; F7-V24 HydrophobicContact CD2-CG2 4.31Å; F7-V24 PolarHBondContact N-O 2.89Å; F7-V24 PolarHBondContact O-N 3.41Å; I22-V24 HydrophobicContact CG2-CG1 4.38Å; V24-Y26 HydrophobicContact CB-CE2 4.04Å; V24-Y26 HydrophobicContact CG2-CD2 4.35Å; V24-Y26 HydrophobicContact CG2-CE2 3.78Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.25Å; V24-V33 WeakPolarHBondContact CA-O 3.28Å; V24-R34 HydrophobicContact CG1-CG 4.22Å
25G98.6Very high96.8Very high0 Ų045.5 Ų45.50%024%0.244CC..EExtended strand (participates in β ladder)trans-122.7138.6176.100000110.7R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.59Å; R5-G25 WeakPolarHBondContact O-CA 3.5Å; G25-Q31 WeakPolarHBondContact O-CA 3.44Å; G25-Q31 WeakPolarHBondContact O-CG 3.24Å; G25-F32 WeakPolarHBondContact O-CD1 3.41Å; G25-F32 PolarHBondContact O-N 2.66Å; G25-V33 PolarHBondContact N-O 3.5Å; G25-V33 VanDerWaalsContact N-O 3.08Å; G25-V33 PolarHBondContact O-N 2.87Å
26Y98.6Very high97.2Very high70 Ų7042 Ų4228%0.27520%0.204SC..EExtended strand (participates in β ladder)trans-125.5141.1178.8-74-101.9000110.6M4 R5 F7 V24 T30 Q31M4-Y26 CarbonylContact C-O 3.59Å; M4-Y26 WeakPolarHBondContact CA-O 3.31Å; R5-Y26 PolarHBondContact N-O 3.3Å; R5-Y26 PolarHBondContact O-N 2.96Å; F7-Y26 HydrophobicContact CD2-CD2 4.15Å; F7-Y26 HydrophobicContact CE2-CD2 4.17Å; V24-Y26 HydrophobicContact CB-CE2 4.04Å; V24-Y26 HydrophobicContact CG2-CD2 4.35Å; V24-Y26 HydrophobicContact CG2-CE2 3.78Å; Y26-T30 WeakPolarHBondContact CA-O 3.45Å; Y26-T30 VanDerWaalsContact CD1-C 3.48Å; Y26-Q31 HydrophobicContact CD1-CB 3.98Å; Y26-Q31 VanDerWaalsContact CD1-N 3.3Å; Y26-Q31 HydrophobicContact CD2-CG 4.42Å; Y26-Q31 HydrophobicContact CE1-CB 3.49Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.49Å; Y26-Q31 HydrophobicContact CE1-CG 4.19Å; Y26-Q31 HydrophobicContact CE2-CB 4.17Å; Y26-Q31 HydrophobicContact CE2-CG 3.93Å; Y26-Q31 HydrophobicContact CG-CB 4.49Å
27V98.3Very high97.5Very high0 Ų032.5 Ų32.50%017%0.17CC..EExtended strand (participates in β ladder)trans-108.6119.2157.1176.30000106.1S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.6Å; S3-V27 WeakPolarHBondContact O-CA 3.44Å; M4-V27 HydrophobicContact CG-CG2 4.43Å; V27-D29 PolarHBondContact O-N 3.34Å; V27-T30 PolarHBondContact N-O 2.94Å; V27-T30 PolarHBondContact O-N 3.44Å; V27-F32 HydrophobicContact CG2-CD1 3.98Å; V27-F32 HydrophobicContact CG2-CE1 4Å; V27-W50 HydrophobicContact CB-CH2 4.5Å; V27-W50 HydrophobicContact CG2-CH2 3.99Å; V27-L167 HydrophobicContact CB-CD1 4.47Å; V27-L167 HydrophobicContact CG1-CD1 3.59Å; V27-L167 HydrophobicContact CG2-CD1 4.18Å; V27-Y170 HydrophobicContact CG2-CD2 3.98Å; V27-L171 HydrophobicContact CG1-CD2 3.98Å; V27-L171 HydrophobicContact CG1-CG 4.24Å; V27-L178 HydrophobicContact CB-CD1 4.26Å; V27-L178 HydrophobicContact CB-CD2 4.13Å; V27-L178 HydrophobicContact CG1-CD1 3.88Å; V27-L178 HydrophobicContact CG1-CD2 4.1Å
28D96.3Very high97.7Very high29 Ų2933.4 Ų33.416%0.15516%0.161CC..THydrogen-bonded Turntrans48.5-122.6-166.1-54.2-39.8000110.6H2 S3H2-D28 WeakPolarHBondContact CA-OD1 3.38Å; H2-D28 IonicContact CE1-OD2 2.78Å; H2-D28 IonicContact CG-OD2 3.5Å; H2-D28 IonicContact ND1-OD1 3.26Å; H2-D28 IonicContact ND1-OD2 3.84Å; H2-D28 PolarHBondContact ND1-OD2 2.87Å; S3-D28 PolarHBondContact N-OD1 3.36Å; S3-D28 PolarHBondContact O-N 2.94Å; S3-D28 PolarHBondContact OG-OD1 3.48Å
29D95.3Very high97.9Very high65 Ų6530.4 Ų30.435%0.34815%0.152SC..THydrogen-bonded Turntrans-93.86.8-179.9-54.1-55.9000113.4V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 3.34Å; D29-Y208 HydrophobicContact CB-CE2 4.42Å; D29-P209 WeakPolarHBondContact OD2-CB 3.32Å; D29-A210 HydrophobicContact CB-CB 4.13Å; D29-A210 VanDerWaalsContact CG-CB 3.47Å; D29-A210 WeakPolarHBondContact OD2-CB 3.34Å; D29-A210 PolarHBondContact OD2-N 3.16Å; D29-F240 HydrophobicContact CB-CE2 3.8Å; D29-F240 HydrophobicContact CB-CZ 3.56Å
30T96.4Very high97.9Very high21 Ų2134.7 Ų34.713%0.12919%0.19CC..EExtended strand (participates in β ladder)trans-104.8115.8-175.7-60.30000111.8Y26 V27 F32 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.45Å; Y26-T30 VanDerWaalsContact CD1-C 3.48Å; V27-T30 PolarHBondContact N-O 2.94Å; V27-T30 PolarHBondContact O-N 3.44Å; T30-F32 PolarHBondContact O-N 3.4Å; T30-L178 HydrophobicContact CG2-CD2 4.06Å; T30-Y208 PolarHBondContact OG1-OH 3.43Å
31Q97.4Very high97.7Very high50 Ų5032.9 Ų32.923%0.23419%0.191CC..EExtended strand (participates in β ladder)trans-68.7130.2173.6-166.5-179.81.600110.3V24 G25 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.25Å; G25-Q31 WeakPolarHBondContact O-CA 3.44Å; G25-Q31 WeakPolarHBondContact O-CG 3.24Å; Y26-Q31 HydrophobicContact CD1-CB 3.98Å; Y26-Q31 VanDerWaalsContact CD1-N 3.3Å; Y26-Q31 HydrophobicContact CD2-CG 4.42Å; Y26-Q31 HydrophobicContact CE1-CB 3.49Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.49Å; Y26-Q31 HydrophobicContact CE1-CG 4.19Å; Y26-Q31 HydrophobicContact CE2-CB 4.17Å; Y26-Q31 HydrophobicContact CE2-CG 3.93Å; Y26-Q31 HydrophobicContact CG-CB 4.49Å; Q31-V33 PolarHBondContact NE2-O 2.87Å; Q31-V33 VanDerWaalsContact NE2-O 3.16Å; Q31-R47 HydrophobicContact CB-CB 4.49Å; Q31-R47 HydrophobicContact CG-CB 4.11Å; Q31-R47 HydrophobicContact CG-CG 4.37Å; Q31-R47 CarbonylContact O-C 3.59Å
32F98.2Very high97.5Very high0 Ų037.2 Ų37.20%021%0.211CC..EExtended strand (participates in β ladder)trans-119.8-22.3179.774.6-82.9000114.4M4 Y6 G25 V27 T30 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.41Å; M4-F32 HydrophobicContact SD-CZ 4.32Å; Y6-F32 AromaticContact CE1-CZ 3.94Å; Y6-F32 HydrophobicContact CE1-CZ 3.94Å; Y6-F32 HydrophobicContact CE2-CZ 4.47Å; Y6-F32 AromaticContact CZ-CZ 3.68Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.32Å; G25-F32 WeakPolarHBondContact O-CD1 3.41Å; G25-F32 PolarHBondContact O-N 2.66Å; V27-F32 HydrophobicContact CG2-CD1 3.98Å; V27-F32 HydrophobicContact CG2-CE1 4Å; T30-F32 PolarHBondContact O-N 3.4Å; F32-R47 PolarHBondContact O-N 3.43Å; F32-A48 HydrophobicContact CB-CB 4.24Å; F32-W50 HydrophobicContact CB-CH2 3.15Å; F32-W50 HydrophobicContact CB-CZ2 3.34Å; F32-W50 HydrophobicContact CB-CZ3 4.02Å; F32-W50 HydrophobicContact CD1-CH2 4.15Å; F32-W50 AromaticContact CD2-CH2 3.87Å; F32-W50 HydrophobicContact CD2-CH2 3.87Å; F32-W50 HydrophobicContact CD2-CZ3 4.21Å; F32-W50 AromaticContact CG-CH2 3.49Å; F32-W50 HydrophobicContact CG-CH2 3.49Å; F32-W50 VanDerWaalsContact CG-CH2 3.49Å; F32-W50 HydrophobicContact CG-CZ2 4.15Å; F32-W50 HydrophobicContact CG-CZ3 4.28Å; F32-I51 HydrophobicContact CD2-CD1 4.01Å; F32-I51 HydrophobicContact CD2-CG1 4.05Å; F32-I51 HydrophobicContact CE2-CD1 4.41Å; F32-I51 VanDerWaalsContact O-CG2 3.28Å; F32-I51 WeakPolarHBondContact O-CG2 3.49Å; F32-Y170 HydrophobicContact CE2-CD2 4.24Å; F32-Y170 AromaticContact CE2-CE2 3.67Å; F32-Y170 HydrophobicContact CE2-CE2 3.67Å; F32-Y170 AromaticContact CE2-CZ 3.96Å; F32-Y170 HydrophobicContact CZ-CD2 4.26Å; F32-Y170 AromaticContact CZ-CE2 3.78Å; F32-Y170 HydrophobicContact CZ-CE2 3.78Å
33V98.5Very high97.5Very high2 Ų242.2 Ų42.21%0.01223%0.227CC..EExtended strand (participates in β ladder)trans-140.2153.4176.5-72.50000112.9Y6 V24 G25 Q31 M44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 3.93Å; V24-V33 WeakPolarHBondContact CA-O 3.28Å; G25-V33 PolarHBondContact N-O 3.5Å; G25-V33 VanDerWaalsContact N-O 3.08Å; G25-V33 PolarHBondContact O-N 2.87Å; Q31-V33 PolarHBondContact NE2-O 2.87Å; Q31-V33 VanDerWaalsContact NE2-O 3.16Å; V33-M44 HydrophobicContact CB-CG 4.1Å; V33-M44 HydrophobicContact CB-SD 3.72Å; V33-M44 HydrophobicContact CG1-CG 4.13Å; V33-M44 HydrophobicContact CG1-SD 4.41Å; V33-M44 HydrophobicContact CG2-SD 4.15Å; V33-E45 WeakPolarHBondContact CA-O 3.36Å; V33-I51 HydrophobicContact CG1-CG1 4.46Å; V33-W59 HydrophobicContact CG1-CH2 4.14Å; V33-W59 HydrophobicContact CG1-CZ3 3.94Å
34R98.6Very high97.5Very high67 Ų6742.7 Ų42.725%0.25323%0.23SC..EExtended strand (participates in β ladder)trans-144.4143.9172.4-179.4174.2169.9100.74.5111.4A23 V24 D36 M44 E45 R47A23-R34 CarbonylContact O-C 3.59Å; A23-R34 VanDerWaalsContact O-CA 3.32Å; A23-R34 WeakPolarHBondContact O-CA 3.43Å; V24-R34 HydrophobicContact CG1-CG 4.22Å; R34-D36 IonicContact NH2-OD2 3.81Å; R34-D36 PolarHBondContact NH2-OD2 2.86Å; R34-M44 VanDerWaalsContact C-SD 3.55Å; R34-E45 PolarHBondContact N-O 2.94Å; R34-E45 PolarHBondContact O-N 2.94Å; R34-R47 HydrophobicContact CB-CG 3.86Å
35F98.8Very high97.4Very high6 Ų644.3 Ų44.33%0.02624%0.236CC..EExtended strand (participates in β ladder)trans-130.8142.8165174.8-84.4000109.6F21 I22 A23 Q42 R43 M44 V66 K67F21-F35 AromaticContact CD1-CD1 3.82Å; F21-F35 HydrophobicContact CD1-CD1 3.82Å; F21-F35 AromaticContact CD1-CE1 3.88Å; F21-F35 HydrophobicContact CD1-CE1 3.88Å; F21-F35 HydrophobicContact CE1-CD1 4.21Å; I22-F35 WeakPolarHBondContact CA-O 3.45Å; A23-F35 HydrophobicContact CB-CB 4.25Å; A23-F35 PolarHBondContact N-O 2.91Å; A23-F35 PolarHBondContact O-N 3.46Å; F35-Q42 VanDerWaalsContact CE2-C 3.5Å; F35-Q42 HydrophobicContact CE2-CB 4.45Å; F35-Q42 WeakPolarHBondContact CE2-O 3.05Å; F35-R43 WeakPolarHBondContact CD2-O 3.28Å; F35-M44 HydrophobicContact CB-CE 4.25Å; F35-M44 HydrophobicContact CB-SD 3.96Å; F35-V66 HydrophobicContact CB-CG1 4.15Å; F35-V66 HydrophobicContact CB-CG2 3.82Å; F35-V66 HydrophobicContact CD1-CG1 4.34Å; F35-V66 HydrophobicContact CD1-CG2 3.94Å; F35-V66 HydrophobicContact CD2-CG1 3.4Å; F35-V66 HydrophobicContact CD2-CG2 4.35Å; F35-V66 HydrophobicContact CE2-CG1 3.79Å; F35-V66 HydrophobicContact CG-CB 4.44Å; F35-V66 HydrophobicContact CG-CG1 3.71Å; F35-V66 HydrophobicContact CG-CG2 3.78Å; F35-V66 HydrophobicContact CZ-CG1 4.43Å; F35-K67 HydrophobicContact CE2-CG 4.24Å; F35-K67 HydrophobicContact CZ-CG 4.22Å
36D98.5Very high97.4Very high20 Ų2046.5 Ų46.511%0.10725%0.25CC..EExtended strand (participates in β ladder)trans-136.7122.6173.6-162.4-31.4000109.1R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.53Å; R20-D36 IonicContact CZ-OD2 3.51Å; R20-D36 IonicContact NE-OD1 3.36Å; R20-D36 PolarHBondContact NE-OD1 3.34Å; R20-D36 VanDerWaalsContact NE-OD1 3.13Å; R20-D36 IonicContact NE-OD2 2.78Å; R20-D36 IonicContact NH2-OD1 3.7Å; R20-D36 IonicContact NH2-OD2 3.03Å; R20-D36 PolarHBondContact NH2-OD2 3.4Å; R34-D36 IonicContact NH2-OD2 3.81Å; R34-D36 PolarHBondContact NH2-OD2 2.86Å; D36-D38 PolarHBondContact O-N 2.94Å; D36-D38 PolarHBondContact OD1-N 3.35Å; D36-A39 HydrophobicContact CB-CB 4.13Å; D36-A39 WeakPolarHBondContact O-CB 3.34Å; D36-A39 PolarHBondContact O-N 3.46Å; D36-A39 VanDerWaalsContact O-N 3.12Å
37S98Very high97.4Very high17 Ų1748 Ų4812%0.11926%0.255CS..THydrogen-bonded Turntrans-63-24-179.563.30000113.3F21 Q42F21-S37 PolarHBondContact N-OG 3.01Å; F21-S37 PolarHBondContact O-N 3.29Å; F21-S37 PolarHBondContact O-OG 3.35Å; S37-Q42 PolarHBondContact O-NE2 2.96Å
38D97.2Very high97.2Very high79 Ų7948.2 Ų48.242%0.42226%0.257SS..THydrogen-bonded Turntrans-88-9-179.5-67.71.2000112.3R13 R20 D36R13-D38 IonicContact CZ-OD1 3.59Å; R13-D38 IonicContact CZ-OD2 2.69Å; R13-D38 IonicContact NH1-OD1 2.69Å; R13-D38 PolarHBondContact NH1-OD1 3.48Å; R13-D38 IonicContact NH1-OD2 2.82Å; R13-D38 PolarHBondContact NH1-OD2 3.49Å; R13-D38 IonicContact NH2-OD1 3.61Å; R13-D38 PolarHBondContact NH2-OD1 2.89Å; R13-D38 IonicContact NH2-OD2 3Å; R20-D38 VanDerWaalsContact CD-OD2 3.3Å; R20-D38 WeakPolarHBondContact CD-OD2 3.37Å; R20-D38 IonicContact NE-OD2 2.9Å; D36-D38 PolarHBondContact O-N 2.94Å; D36-D38 PolarHBondContact OD1-N 3.35Å
39A97.1Very high97.2Very high31 Ų3151.8 Ų51.826%0.25628%0.281SS..SBendtrans-70.5143.317600000110.9D36 S41 Q42D36-A39 HydrophobicContact CB-CB 4.13Å; D36-A39 WeakPolarHBondContact O-CB 3.34Å; D36-A39 PolarHBondContact O-N 3.46Å; D36-A39 VanDerWaalsContact O-N 3.12Å; A39-S41 VanDerWaalsContact C-N 3.26Å; A39-S41 PolarHBondContact O-N 2.96Å; A39-Q42 WeakPolarHBondContact O-CG 3.43Å; A39-Q42 PolarHBondContact O-N 3.02Å; A39-Q42 VanDerWaalsContact O-N 3.15Å
40A96.6Very high97.3Very high114 Ų11449.4 Ų49.494%0.94227%0.268SS*.THydrogen-bonded Turntrans-61.7-33-179.500000113.4
41S93.8Very high97.3Very high52 Ų5248.4 Ų48.436%0.36426%0.262SS..THydrogen-bonded Turntrans-69.3-33.8178.562.10000112.2A39 R43 E45A39-S41 VanDerWaalsContact C-N 3.26Å; A39-S41 PolarHBondContact O-N 2.96Å; S41-R43 WeakPolarHBondContact O-CG 3.41Å; S41-R43 PolarHBondContact O-N 3.43Å; S41-R43 VanDerWaalsContact O-N 3.13Å; S41-E45 PolarHBondContact OG-OE1 3.3Å
42Q95.6Very high97.3Very high91 Ų9152 Ų5243%0.42528%0.278SS..  trans37.748.4-167.1-60.3-171.2-22.800111.9F35 S37 A39 K67F35-Q42 VanDerWaalsContact CE2-C 3.5Å; F35-Q42 HydrophobicContact CE2-CB 4.45Å; F35-Q42 WeakPolarHBondContact CE2-O 3.05Å; S37-Q42 PolarHBondContact O-NE2 2.96Å; A39-Q42 WeakPolarHBondContact O-CG 3.43Å; A39-Q42 PolarHBondContact O-N 3.02Å; A39-Q42 VanDerWaalsContact O-N 3.15Å; Q42-K67 WeakPolarHBondContact O-CE 3.38Å; Q42-K67 PolarHBondContact O-NZ 3.1Å; Q42-K67 VanDerWaalsContact O-NZ 3.11Å
43R97.9Very high97.2Very high147 Ų14757.8 Ų57.856%0.55531%0.305SS*.SBendtrans-123.2156.5179.7-84.6178.6162.8136.5-3.1110.3F35 S41 E45 T63F35-R43 WeakPolarHBondContact CD2-O 3.28Å; S41-R43 WeakPolarHBondContact O-CG 3.41Å; S41-R43 PolarHBondContact O-N 3.43Å; S41-R43 VanDerWaalsContact O-N 3.13Å; R43-E45 PolarHBondContact O-N 2.93Å; R43-T63 HydrophobicContact CB-CG2 4.5Å; R43-T63 HydrophobicContact CG-CG2 4.05Å
44M98.4Very high97.1Very high12 Ų1258.2 Ų58.26%0.05931%0.307CS..  trans-69128.2166.5-171.564.380.300108V33 R34 F35 W59 E62 T63 V66V33-M44 HydrophobicContact CB-CG 4.1Å; V33-M44 HydrophobicContact CB-SD 3.72Å; V33-M44 HydrophobicContact CG1-CG 4.13Å; V33-M44 HydrophobicContact CG1-SD 4.41Å; V33-M44 HydrophobicContact CG2-SD 4.15Å; R34-M44 VanDerWaalsContact C-SD 3.55Å; F35-M44 HydrophobicContact CB-CE 4.25Å; F35-M44 HydrophobicContact CB-SD 3.96Å; M44-W59 HydrophobicContact CB-CE3 4.35Å; M44-W59 HydrophobicContact CG-CE3 4.29Å; M44-W59 HydrophobicContact CG-CZ3 4.07Å; M44-E62 HydrophobicContact CB-CB 4.16Å; M44-E62 HydrophobicContact CG-CB 4.13Å; M44-T63 PolarHBondContact N-OG1 3Å; M44-V66 HydrophobicContact CE-CB 3.76Å; M44-V66 HydrophobicContact CE-CG1 3.99Å; M44-V66 HydrophobicContact CE-CG2 3.87Å
45E98.2Very high97Very high58 Ų5856.7 Ų56.727%0.27131%0.312SS..EExtended strand (participates in β ladder)trans-117.5141.6-175.1-62.5176.7173.400110.8V33 R34 S41 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.36Å; R34-E45 PolarHBondContact N-O 2.94Å; R34-E45 PolarHBondContact O-N 2.94Å; S41-E45 PolarHBondContact OG-OE1 3.3Å; R43-E45 PolarHBondContact O-N 2.93Å; E45-R47 IonicContact OE2-CZ 3.63Å; E45-R47 IonicContact OE2-NH1 2.72Å; E45-R47 PolarHBondContact OE2-NH1 3Å; E45-R47 VanDerWaalsContact OE2-NH1 3.15Å; E45-R47 IonicContact OE2-NH2 3.78Å; E45-R47 PolarHBondContact OE2-NH2 3.39Å
46P98.1Very high96.9Very high45 Ų4561.3 Ų61.329%0.29234%0.343SS..EExtended strand (participates in β ladder)trans-67.2148.1174.928.6-34.5000111.2I51 E52 W59P46-I51 HydrophobicContact CB-CG2 3.63Å; P46-E52 HydrophobicContact CB-CG 3.76Å; P46-E52 HydrophobicContact CG-CG 3.99Å; P46-W59 HydrophobicContact CB-CH2 3.63Å; P46-W59 HydrophobicContact CB-CZ2 4Å; P46-W59 HydrophobicContact CG-CH2 4.26Å; P46-W59 HydrophobicContact CG-CZ2 4.42Å
47R97.3Very high96.9Very high102 Ų10268.8 Ų68.839%0.38538%0.377SS..  trans-129.91.9173.3-65.9-63.6-178.8-91.92.7113.4Q31 F32 R34 E45Q31-R47 HydrophobicContact CB-CB 4.49Å; Q31-R47 HydrophobicContact CG-CB 4.11Å; Q31-R47 HydrophobicContact CG-CG 4.37Å; Q31-R47 CarbonylContact O-C 3.59Å; F32-R47 PolarHBondContact O-N 3.43Å; R34-R47 HydrophobicContact CB-CG 3.86Å; E45-R47 IonicContact OE2-CZ 3.63Å; E45-R47 IonicContact OE2-NH1 2.72Å; E45-R47 PolarHBondContact OE2-NH1 3Å; E45-R47 VanDerWaalsContact OE2-NH1 3.15Å; E45-R47 IonicContact OE2-NH2 3.78Å; E45-R47 PolarHBondContact OE2-NH2 3.39Å
48A96.1Very high96.9Very high5 Ų568.8 Ų68.84%0.04138%0.375CS..SBendtrans-139.1143.9173.100000110.7F32 W50 I51F32-A48 HydrophobicContact CB-CB 4.24Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.18Å; A48-W50 HydrophobicContact CB-CG 4.35Å; A48-W50 HydrophobicContact CB-CZ2 4Å; A48-W50 PolarHBondContact O-N 3.03Å; A48-I51 WeakPolarHBondContact O-CG2 3.46Å; A48-I51 PolarHBondContact O-N 3.49Å
49P96.1Very high96.9Very high103 Ų10367 Ų6767%0.66936%0.362SS*.G310 helixtrans-58.5-38-177.3-26.634.9000113.8I51 E52P49-I51 PolarHBondContact O-N 3.49Å; P49-E52 WeakPolarHBondContact O-CB 3.06Å; P49-E52 PolarHBondContact O-N 2.99Å; P49-E52 VanDerWaalsContact O-N 3.1Å
50W96.1Very high97Very high16 Ų1669.3 Ų69.36%0.06137%0.37CS..G310 helixtrans-69.1-14.6-176.554.8-105.2000114.4V27 F32 A48 Q53 Y170 G174 L178V27-W50 HydrophobicContact CB-CH2 4.5Å; V27-W50 HydrophobicContact CG2-CH2 3.99Å; F32-W50 HydrophobicContact CB-CH2 3.15Å; F32-W50 HydrophobicContact CB-CZ2 3.34Å; F32-W50 HydrophobicContact CB-CZ3 4.02Å; F32-W50 HydrophobicContact CD1-CH2 4.15Å; F32-W50 AromaticContact CD2-CH2 3.87Å; F32-W50 HydrophobicContact CD2-CH2 3.87Å; F32-W50 HydrophobicContact CD2-CZ3 4.21Å; F32-W50 AromaticContact CG-CH2 3.49Å; F32-W50 HydrophobicContact CG-CH2 3.49Å; F32-W50 VanDerWaalsContact CG-CH2 3.49Å; F32-W50 HydrophobicContact CG-CZ2 4.15Å; F32-W50 HydrophobicContact CG-CZ3 4.28Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.18Å; A48-W50 HydrophobicContact CB-CG 4.35Å; A48-W50 HydrophobicContact CB-CZ2 4Å; A48-W50 PolarHBondContact O-N 3.03Å; W50-Q53 WeakPolarHBondContact O-CG 3.24Å; W50-Y170 HydrophobicContact CH2-CG 4.31Å; W50-Y170 AromaticContact CZ3-CD1 3.93Å; W50-Y170 HydrophobicContact CZ3-CD1 3.93Å; W50-Y170 AromaticContact CZ3-CG 3.81Å; W50-Y170 HydrophobicContact CZ3-CG 3.81Å; W50-G174 VanDerWaalsContact CG-CA 3.49Å; W50-L178 HydrophobicContact CD2-CD1 4.41Å; W50-L178 HydrophobicContact CH2-CD1 4.25Å; W50-L178 HydrophobicContact CZ2-CD1 3.8Å; W50-L178 HydrophobicContact CZ2-CD2 4.03Å; W50-L178 HydrophobicContact CZ2-CG 4.3Å
51I97.7Very high97.1Very high0 Ų064.6 Ų64.60%033%0.332CS..G310 helixtrans-88.8-19.6173.8-163.371.1000111.7F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CD2-CD1 4.01Å; F32-I51 HydrophobicContact CD2-CG1 4.05Å; F32-I51 HydrophobicContact CE2-CD1 4.41Å; F32-I51 VanDerWaalsContact O-CG2 3.28Å; F32-I51 WeakPolarHBondContact O-CG2 3.49Å; V33-I51 HydrophobicContact CG1-CG1 4.46Å; P46-I51 HydrophobicContact CB-CG2 3.63Å; A48-I51 WeakPolarHBondContact O-CG2 3.46Å; A48-I51 PolarHBondContact O-N 3.49Å; P49-I51 PolarHBondContact O-N 3.49Å; I51-Q53 PolarHBondContact O-N 2.84Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; I51-E54 HydrophobicContact CD1-CG 3.7Å; I51-E54 HydrophobicContact CG1-CG 4.24Å; I51-E54 WeakPolarHBondContact O-CB 3.3Å; I51-E54 WeakPolarHBondContact O-CG 3.5Å; I51-E54 PolarHBondContact O-N 3.09Å; I51-Y58 HydrophobicContact CD1-CE1 4.22Å; I51-Y58 HydrophobicContact CG1-CE1 4.23Å; I51-W59 HydrophobicContact CB-CH2 4.48Å; I51-W59 HydrophobicContact CG1-CH2 3.79Å; I51-W59 HydrophobicContact CG1-CZ2 4.04Å; I51-W59 HydrophobicContact CG2-CH2 4.01Å; I51-W59 HydrophobicContact CG2-CZ2 4.38Å; I51-W59 WeakPolarHBondContact O-CZ2 3.36Å; I51-Y170 HydrophobicContact CD1-CD1 3.74Å; I51-Y170 HydrophobicContact CD1-CE1 3.38Å
52E96.6Very high97.3Very high125 Ų12563 Ų6358%0.58432%0.319SS*.THydrogen-bonded Turntrans-64.7-21.6-176.9-63.8-178.1-175.300113.2P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.76Å; P46-E52 HydrophobicContact CG-CG 3.99Å; P49-E52 WeakPolarHBondContact O-CB 3.06Å; P49-E52 PolarHBondContact O-N 2.99Å; P49-E52 VanDerWaalsContact O-N 3.1Å; E52-E54 PolarHBondContact O-N 2.69Å
53Q95.2Very high97.4Very high121 Ų12159.2 Ų59.257%0.56530%0.302SS*.THydrogen-bonded Turntrans-71.9-12175.369.9-176.21600114.1W50 I51 N173W50-Q53 WeakPolarHBondContact O-CG 3.24Å; I51-Q53 PolarHBondContact O-N 2.84Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; Q53-N173 PolarHBondContact NE2-ND2 2.74Å; Q53-N173 PolarHBondContact NE2-OD1 3.41Å; Q53-N173 VanDerWaalsContact NE2-OD1 3.09Å
54E97.1Very high97.4Very high12 Ų1260.5 Ų60.56%0.05631%0.307CS..SBendtrans-65.7138.3174.9-68-62.6162.900111.1I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.7Å; I51-E54 HydrophobicContact CG1-CG 4.24Å; I51-E54 WeakPolarHBondContact O-CB 3.3Å; I51-E54 WeakPolarHBondContact O-CG 3.5Å; I51-E54 PolarHBondContact O-N 3.09Å; E52-E54 PolarHBondContact O-N 2.69Å; E54-Y58 HydrophobicContact CB-CD1 3.54Å; E54-Y58 HydrophobicContact CB-CD2 4.44Å; E54-Y58 HydrophobicContact CB-CE1 4.16Å; E54-Y58 HydrophobicContact CB-CG 3.71Å; E54-Y58 HydrophobicContact CG-CD1 4.01Å; E54-Y58 HydrophobicContact CG-CD2 4.33Å; E54-Y58 HydrophobicContact CG-CE1 4.22Å; E54-Y58 HydrophobicContact CG-CE2 4.5Å; E54-Y58 HydrophobicContact CG-CG 4.07Å; E54-W59 PolarHBondContact O-NE1 3.22Å; E54-R169 IonicContact OE1-CZ 3.67Å; E54-R169 IonicContact OE1-NE 3.3Å; E54-R169 PolarHBondContact OE1-NE 3.29Å; E54-R169 IonicContact OE1-NH2 3.39Å; E54-R169 PolarHBondContact OE1-NH2 2.92Å; E54-R169 IonicContact OE2-CZ 3.88Å; E54-R169 IonicContact OE2-NE 3.7Å; E54-R169 IonicContact OE2-NH2 2.89Å; E54-R169 PolarHBondContact OE2-NH2 3.18Å; E54-N173 PolarHBondContact OE1-ND2 3.49Å; E54-N173 VanDerWaalsContact OE1-ND2 3.14Å
55G96.8Very high97.4Very high35 Ų3564.9 Ų64.936%0.36133%0.326SS..  trans-73.2169.6-17400000114.1E57 Y58 W59G55-E57 PolarHBondContact O-N 3.17Å; G55-E57 VanDerWaalsContact O-N 3.15Å; G55-Y58 WeakPolarHBondContact O-CB 3.48Å; G55-Y58 PolarHBondContact O-N 3.21Å; G55-W59 VanDerWaalsContact O-CD1 3.3Å; G55-W59 PolarHBondContact O-N 2.89Å
56P97.3Very high97.4Very high103 Ų10362.3 Ų62.367%0.66931%0.314SS*.Hα-helixtrans-55-35.5-179.7-26.334.7000114.2Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.29Å; P56-Y58 PolarHBondContact O-N 3.05Å; P56-W59 PolarHBondContact O-N 2.93Å; P56-D60 WeakPolarHBondContact O-CB 3.35Å; P56-D60 PolarHBondContact O-N 3.46Å
57E97.8Very high97.4Very high176 Ų17664.1 Ų64.182%0.82232%0.317SS*.Hα-helixtrans-61.2-36.6178.6-63.9-175.517500112.8G55 G61G55-E57 PolarHBondContact O-N 3.17Å; G55-E57 VanDerWaalsContact O-N 3.15Å; E57-G61 PolarHBondContact O-N 2.88Å
58Y97.8Very high97.4Very high18 Ų1861.9 Ų61.97%0.07132%0.321CS..Hα-helixtrans-63.1-53.1174.1172.7-92.9000110.2I51 E54 G55 P56 D60 G61 E62 W166 Y170I51-Y58 HydrophobicContact CD1-CE1 4.22Å; I51-Y58 HydrophobicContact CG1-CE1 4.23Å; E54-Y58 HydrophobicContact CB-CD1 3.54Å; E54-Y58 HydrophobicContact CB-CD2 4.44Å; E54-Y58 HydrophobicContact CB-CE1 4.16Å; E54-Y58 HydrophobicContact CB-CG 3.71Å; E54-Y58 HydrophobicContact CG-CD1 4.01Å; E54-Y58 HydrophobicContact CG-CD2 4.33Å; E54-Y58 HydrophobicContact CG-CE1 4.22Å; E54-Y58 HydrophobicContact CG-CE2 4.5Å; E54-Y58 HydrophobicContact CG-CG 4.07Å; G55-Y58 WeakPolarHBondContact O-CB 3.48Å; G55-Y58 PolarHBondContact O-N 3.21Å; P56-Y58 VanDerWaalsContact C-N 3.29Å; P56-Y58 PolarHBondContact O-N 3.05Å; Y58-D60 PolarHBondContact O-N 2.93Å; Y58-G61 PolarHBondContact O-N 2.71Å; Y58-G61 VanDerWaalsContact O-N 3.16Å; Y58-E62 HydrophobicContact CD1-CG 4.29Å; Y58-E62 HydrophobicContact CD2-CG 4.24Å; Y58-E62 HydrophobicContact CE1-CG 3.9Å; Y58-E62 HydrophobicContact CE2-CG 3.87Å; Y58-E62 HydrophobicContact CG-CG 4.45Å; Y58-E62 WeakPolarHBondContact O-CG 3.43Å; Y58-E62 PolarHBondContact O-N 3.03Å; Y58-W166 AromaticContact CD2-CH2 3.56Å; Y58-W166 HydrophobicContact CD2-CH2 3.56Å; Y58-W166 HydrophobicContact CD2-CZ2 4.35Å; Y58-W166 AromaticContact CD2-CZ3 3.78Å; Y58-W166 HydrophobicContact CD2-CZ3 3.78Å; Y58-W166 HydrophobicContact CE2-CE3 4.23Å; Y58-W166 AromaticContact CE2-CH2 3.82Å; Y58-W166 HydrophobicContact CE2-CH2 3.82Å; Y58-W166 HydrophobicContact CE2-CZ2 4.47Å; Y58-W166 AromaticContact CE2-CZ3 3.66Å; Y58-W166 HydrophobicContact CE2-CZ3 3.66Å; Y58-Y170 HydrophobicContact CE2-CE1 4.36Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.23Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.42Å; Y58-Y170 PolarHBondContact OH-OH 2.88Å
59W98.4Very high97.5Very high41 Ų4164 Ų6416%0.15533%0.33CS..Hα-helixtrans-64.1-40.2-176.6-65.6112.1000113.1V33 M44 P46 I51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.14Å; V33-W59 HydrophobicContact CG1-CZ3 3.94Å; M44-W59 HydrophobicContact CB-CE3 4.35Å; M44-W59 HydrophobicContact CG-CE3 4.29Å; M44-W59 HydrophobicContact CG-CZ3 4.07Å; P46-W59 HydrophobicContact CB-CH2 3.63Å; P46-W59 HydrophobicContact CB-CZ2 4Å; P46-W59 HydrophobicContact CG-CH2 4.26Å; P46-W59 HydrophobicContact CG-CZ2 4.42Å; I51-W59 HydrophobicContact CB-CH2 4.48Å; I51-W59 HydrophobicContact CG1-CH2 3.79Å; I51-W59 HydrophobicContact CG1-CZ2 4.04Å; I51-W59 HydrophobicContact CG2-CH2 4.01Å; I51-W59 HydrophobicContact CG2-CZ2 4.38Å; I51-W59 WeakPolarHBondContact O-CZ2 3.36Å; E54-W59 PolarHBondContact O-NE1 3.22Å; G55-W59 VanDerWaalsContact O-CD1 3.3Å; G55-W59 PolarHBondContact O-N 2.89Å; P56-W59 PolarHBondContact O-N 2.93Å; W59-T63 WeakPolarHBondContact O-CB 3.48Å; W59-T63 PolarHBondContact O-N 2.93Å; W59-T63 PolarHBondContact O-OG1 3.37Å
60D98.2Very high97.6Very high80 Ų8060 Ų6043%0.42830%0.304SS..Hα-helixtrans-67.6-39.4174.5-77.2-21.3000111.4P56 Y58 R64P56-D60 WeakPolarHBondContact O-CB 3.35Å; P56-D60 PolarHBondContact O-N 3.46Å; Y58-D60 PolarHBondContact O-N 2.93Å; D60-R64 WeakPolarHBondContact O-CB 3.5Å; D60-R64 PolarHBondContact O-N 2.77Å
61G98.1Very high97.6Very high14 Ų1464.2 Ų64.214%0.14432%0.324CS..Hα-helixtrans-60.7-53.1174.200000112.5E57 Y58 R64 K65E57-G61 PolarHBondContact O-N 2.88Å; Y58-G61 PolarHBondContact O-N 2.71Å; Y58-G61 VanDerWaalsContact O-N 3.16Å; G61-R64 PolarHBondContact O-N 2.95Å; G61-K65 WeakPolarHBondContact O-CG 3.48Å; G61-K65 PolarHBondContact O-N 2.93Å
62E98.1Very high97.6Very high18 Ų1867.2 Ų67.28%0.08434%0.343CS..Hα-helixtrans-64.9-39.5179.1-68.4-51.8111.800111.8M44 Y58 R64 K65 V66M44-E62 HydrophobicContact CB-CB 4.16Å; M44-E62 HydrophobicContact CG-CB 4.13Å; Y58-E62 HydrophobicContact CD1-CG 4.29Å; Y58-E62 HydrophobicContact CD2-CG 4.24Å; Y58-E62 HydrophobicContact CE1-CG 3.9Å; Y58-E62 HydrophobicContact CE2-CG 3.87Å; Y58-E62 HydrophobicContact CG-CG 4.45Å; Y58-E62 WeakPolarHBondContact O-CG 3.43Å; Y58-E62 PolarHBondContact O-N 3.03Å; E62-R64 VanDerWaalsContact C-N 3.33Å; E62-R64 PolarHBondContact O-N 3.38Å; E62-K65 PolarHBondContact O-N 3.24Å; E62-K65 WeakPolarHBondContact OE1-CD 3.31Å; E62-K65 IonicContact OE1-NZ 3.88Å; E62-K65 PolarHBondContact OE1-NZ 2.78Å; E62-V66 WeakPolarHBondContact O-CB 3.4Å; E62-V66 WeakPolarHBondContact O-CG1 3.5Å; E62-V66 PolarHBondContact O-N 3.48Å
63T98.5Very high97.7Very high12 Ų1261.2 Ų61.27%0.07432%0.315CS..Hα-helixtrans-60.7-42.1173.5-64.10000111.6R43 M44 W59 V66 K67R43-T63 HydrophobicContact CB-CG2 4.5Å; R43-T63 HydrophobicContact CG-CG2 4.05Å; M44-T63 PolarHBondContact N-OG1 3Å; W59-T63 WeakPolarHBondContact O-CB 3.48Å; W59-T63 PolarHBondContact O-N 2.93Å; W59-T63 PolarHBondContact O-OG1 3.37Å; T63-V66 WeakPolarHBondContact O-CG1 3.44Å; T63-K67 HydrophobicContact CG2-CD 4.25Å; T63-K67 WeakPolarHBondContact O-CB 3.18Å; T63-K67 VanDerWaalsContact O-CG 3.31Å; T63-K67 WeakPolarHBondContact O-CG 3.47Å; T63-K67 PolarHBondContact O-N 2.79Å; T63-K67 VanDerWaalsContact O-N 3.1Å
64R98.4Very high97.8Very high174 Ų17460.6 Ų60.666%0.65731%0.307SS*.Hα-helixtrans-65.4-46.1177.5-169.6-174.6-58.91102.5111.3D60 G61 E62 K67 A68D60-R64 WeakPolarHBondContact O-CB 3.5Å; D60-R64 PolarHBondContact O-N 2.77Å; G61-R64 PolarHBondContact O-N 2.95Å; E62-R64 VanDerWaalsContact C-N 3.33Å; E62-R64 PolarHBondContact O-N 3.38Å; R64-K67 PolarHBondContact O-N 2.96Å; R64-A68 PolarHBondContact O-N 2.93Å
65K97.6Very high97.8Very high105 Ų10564.4 Ų64.446%0.45733%0.331SS..Hα-helixtrans-61-47.5178.7-69.8173.3-166.7165.50111.6G61 E62 K67 A68 H69G61-K65 WeakPolarHBondContact O-CG 3.48Å; G61-K65 PolarHBondContact O-N 2.93Å; E62-K65 PolarHBondContact O-N 3.24Å; E62-K65 WeakPolarHBondContact OE1-CD 3.31Å; E62-K65 IonicContact OE1-NZ 3.88Å; E62-K65 PolarHBondContact OE1-NZ 2.78Å; K65-K67 VanDerWaalsContact C-N 3.34Å; K65-K67 PolarHBondContact O-N 2.96Å; K65-A68 WeakPolarHBondContact O-CB 3.12Å; K65-A68 PolarHBondContact O-N 3.02Å; K65-H69 PolarHBondContact O-CD2 2.86Å; K65-H69 VanDerWaalsContact O-CD2 3.31Å; K65-H69 PolarHBondContact O-N 3.32Å
66V98.1Very high97.8Very high3 Ų364.7 Ų64.72%0.01832%0.324CS..Hα-helixtrans-67.6-34.3-178.376.30000112.1F21 A23 F35 M44 E62 T63 H69 S70F21-V66 HydrophobicContact CE1-CG2 3.66Å; F21-V66 HydrophobicContact CZ-CG2 4.45Å; A23-V66 HydrophobicContact CB-CG2 3.63Å; F35-V66 HydrophobicContact CB-CG1 4.15Å; F35-V66 HydrophobicContact CB-CG2 3.82Å; F35-V66 HydrophobicContact CD1-CG1 4.34Å; F35-V66 HydrophobicContact CD1-CG2 3.94Å; F35-V66 HydrophobicContact CD2-CG1 3.4Å; F35-V66 HydrophobicContact CD2-CG2 4.35Å; F35-V66 HydrophobicContact CE2-CG1 3.79Å; F35-V66 HydrophobicContact CG-CB 4.44Å; F35-V66 HydrophobicContact CG-CG1 3.71Å; F35-V66 HydrophobicContact CG-CG2 3.78Å; F35-V66 HydrophobicContact CZ-CG1 4.43Å; M44-V66 HydrophobicContact CE-CB 3.76Å; M44-V66 HydrophobicContact CE-CG1 3.99Å; M44-V66 HydrophobicContact CE-CG2 3.87Å; E62-V66 WeakPolarHBondContact O-CB 3.4Å; E62-V66 WeakPolarHBondContact O-CG1 3.5Å; E62-V66 PolarHBondContact O-N 3.48Å; T63-V66 WeakPolarHBondContact O-CG1 3.44Å; V66-H69 PolarHBondContact O-N 3.03Å; V66-S70 PolarHBondContact O-N 3.4Å
67K98.1Very high97.8Very high83 Ų8360.1 Ų60.136%0.36129%0.294SS..Hα-helixtrans-65.8-40171.5-76.2-176179.7-175.50112.3F35 Q42 T63 R64 K65 S70 Q71F35-K67 HydrophobicContact CE2-CG 4.24Å; F35-K67 HydrophobicContact CZ-CG 4.22Å; Q42-K67 WeakPolarHBondContact O-CE 3.38Å; Q42-K67 PolarHBondContact O-NZ 3.1Å; Q42-K67 VanDerWaalsContact O-NZ 3.11Å; T63-K67 HydrophobicContact CG2-CD 4.25Å; T63-K67 WeakPolarHBondContact O-CB 3.18Å; T63-K67 VanDerWaalsContact O-CG 3.31Å; T63-K67 WeakPolarHBondContact O-CG 3.47Å; T63-K67 PolarHBondContact O-N 2.79Å; T63-K67 VanDerWaalsContact O-N 3.1Å; R64-K67 PolarHBondContact O-N 2.96Å; K65-K67 VanDerWaalsContact C-N 3.34Å; K65-K67 PolarHBondContact O-N 2.96Å; K67-S70 WeakPolarHBondContact O-CB 3.24Å; K67-S70 PolarHBondContact O-N 3.29Å; K67-Q71 PolarHBondContact O-N 2.72Å; K67-Q71 VanDerWaalsContact O-N 3.14Å
68A98.1Very high97.8Very high55 Ų5553.5 Ų53.546%0.45527%0.273SS..Hα-helixtrans-61.3-45.3173.500000111.1R64 K65 S70 Q71 T72R64-A68 PolarHBondContact O-N 2.93Å; K65-A68 WeakPolarHBondContact O-CB 3.12Å; K65-A68 PolarHBondContact O-N 3.02Å; A68-S70 VanDerWaalsContact C-N 3.34Å; A68-S70 PolarHBondContact O-N 3.3Å; A68-Q71 PolarHBondContact O-N 2.62Å; A68-T72 PolarHBondContact O-N 3.16Å; A68-T72 PolarHBondContact O-OG1 2.81Å
69H97.5Very high97.7Very high51 Ų5155 Ų5524%0.23628%0.284CS..Hα-helixtrans-61.9-38.2175.1-74.2-48.2000113.4F8 F21 K65 V66 Q71 T72 H73 R96F8-H69 HydrophobicContact CD2-CB 4.15Å; F8-H69 HydrophobicContact CE2-CB 3.91Å; F8-H69 AromaticContact CE2-CD2 3.47Å; F8-H69 VanDerWaalsContact CE2-CD2 3.47Å; F8-H69 WeakPolarHBondContact CE2-CD2 3.33Å; F8-H69 AromaticContact CE2-CG 3.66Å; F21-H69 HydrophobicContact CZ-CB 4.14Å; K65-H69 PolarHBondContact O-CD2 2.86Å; K65-H69 VanDerWaalsContact O-CD2 3.31Å; K65-H69 PolarHBondContact O-N 3.32Å; V66-H69 PolarHBondContact O-N 3.03Å; H69-Q71 VanDerWaalsContact C-N 3.32Å; H69-Q71 PolarHBondContact O-N 2.8Å; H69-T72 PolarHBondContact O-N 3.03Å; H69-H73 PolarHBondContact O-CD2 2.83Å; H69-H73 VanDerWaalsContact O-CD2 3.22Å; H69-H73 PolarHBondContact O-N 2.92Å; H69-R96 PolarHBondContact CE1-NH1 3.33Å; H69-R96 PolarHBondContact ND1-NH1 3.39Å
70S97.7Very high97.7Very high18 Ų1853.6 Ų53.613%0.12628%0.28CS..Hα-helixtrans-58.4-43.2173.5178.30000112.1F21 V66 K67 A68 H73 R74F21-S70 WeakPolarHBondContact CB-OG 3.27Å; V66-S70 PolarHBondContact O-N 3.4Å; K67-S70 WeakPolarHBondContact O-CB 3.24Å; K67-S70 PolarHBondContact O-N 3.29Å; A68-S70 VanDerWaalsContact C-N 3.34Å; A68-S70 PolarHBondContact O-N 3.3Å; S70-H73 PolarHBondContact O-N 2.97Å; S70-R74 PolarHBondContact O-N 2.89Å
71Q97.6Very high97.7Very high104 Ų10453.2 Ų53.249%0.48627%0.272SS..Hα-helixtrans-67.4-39.7175.1-62.2-53.3-41.800112.6K67 A68 H69 R74 V75K67-Q71 PolarHBondContact O-N 2.72Å; K67-Q71 VanDerWaalsContact O-N 3.14Å; A68-Q71 PolarHBondContact O-N 2.62Å; H69-Q71 VanDerWaalsContact C-N 3.32Å; H69-Q71 PolarHBondContact O-N 2.8Å; Q71-R74 WeakPolarHBondContact O-CB 3.39Å; Q71-R74 PolarHBondContact O-N 3.25Å; Q71-V75 WeakPolarHBondContact O-CG2 3.28Å; Q71-V75 PolarHBondContact O-N 2.9Å; Q71-V75 VanDerWaalsContact O-N 3.12Å
72T97.3Very high97.6Very high63 Ų6354.7 Ų54.739%0.38729%0.287SS..Hα-helixtrans-58.5-49.5173.5-55.10000111.1A68 H69 R74 V75 D76A68-T72 PolarHBondContact O-N 3.16Å; A68-T72 PolarHBondContact O-OG1 2.81Å; H69-T72 PolarHBondContact O-N 3.03Å; T72-R74 VanDerWaalsContact C-N 3.29Å; T72-R74 PolarHBondContact O-N 3.29Å; T72-V75 WeakPolarHBondContact O-CB 3.28Å; T72-V75 PolarHBondContact O-N 3.05Å; T72-D76 VanDerWaalsContact O-CG 3.25Å; T72-D76 PolarHBondContact O-N 3.31Å
73H97.6Very high97.6Very high0 Ų056.5 Ų56.50%029%0.294CS..Hα-helixtrans-62.5-34.6179.1-82.8-126000112.8F21 H69 S70 D76 L77F21-H73 HydrophobicContact CD2-CB 4.05Å; F21-H73 HydrophobicContact CE2-CB 4.07Å; F21-H73 AromaticContact CE2-CD2 3.88Å; F21-H73 AromaticContact CE2-CG 3.66Å; F21-H73 AromaticContact CE2-ND1 3.79Å; H69-H73 PolarHBondContact O-CD2 2.83Å; H69-H73 VanDerWaalsContact O-CD2 3.22Å; H69-H73 PolarHBondContact O-N 2.92Å; S70-H73 PolarHBondContact O-N 2.97Å; H73-D76 PolarHBondContact O-N 2.69Å; H73-L77 WeakPolarHBondContact O-CG 3.35Å; H73-L77 PolarHBondContact O-N 2.88Å
74R97.1Very high97.6Very high108 Ų10859.1 Ų59.141%0.40830%0.303SS..Hα-helixtrans-60.3-45.3172.4174.7-169.4166.7152.917.6111.5E18 P19 S70 Q71 T72 G78E18-R74 IonicContact OE1-CZ 3.54Å; E18-R74 IonicContact OE1-NH1 3.45Å; E18-R74 PolarHBondContact OE1-NH1 2.89Å; E18-R74 IonicContact OE1-NH2 2.97Å; E18-R74 PolarHBondContact OE1-NH2 3.02Å; E18-R74 WeakPolarHBondContact OE2-CD 3.46Å; E18-R74 IonicContact OE2-CZ 2.74Å; E18-R74 IonicContact OE2-NE 3.42Å; E18-R74 PolarHBondContact OE2-NE 3.24Å; E18-R74 IonicContact OE2-NH1 3.48Å; E18-R74 PolarHBondContact OE2-NH1 3.24Å; E18-R74 IonicContact OE2-NH2 3.56Å; E18-R74 PolarHBondContact OE2-NH2 2.86Å; P19-R74 HydrophobicContact CG-CG 4.33Å; S70-R74 PolarHBondContact O-N 2.89Å; Q71-R74 WeakPolarHBondContact O-CB 3.39Å; Q71-R74 PolarHBondContact O-N 3.25Å; T72-R74 VanDerWaalsContact C-N 3.29Å; T72-R74 PolarHBondContact O-N 3.29Å; R74-G78 PolarHBondContact O-N 2.87Å
75V97.3Very high97.5Very high91 Ų9158.1 Ų58.155%0.55231%0.311SS*.Hα-helixtrans-67-40176.71750000110.9Q71 T72 L77 G78 T79Q71-V75 WeakPolarHBondContact O-CG2 3.28Å; Q71-V75 PolarHBondContact O-N 2.9Å; Q71-V75 VanDerWaalsContact O-N 3.12Å; T72-V75 WeakPolarHBondContact O-CB 3.28Å; T72-V75 PolarHBondContact O-N 3.05Å; V75-L77 PolarHBondContact O-N 2.88Å; V75-G78 PolarHBondContact O-N 2.98Å; V75-T79 WeakPolarHBondContact O-CB 3.39Å; V75-T79 PolarHBondContact O-N 2.79Å; V75-T79 PolarHBondContact O-OG1 2.91Å
76D97.6Very high97.4Very high41 Ų4156.1 Ų56.122%0.21930%0.303CS..Hα-helixtrans-62.4-42.7178-67.2-24.2000111.4T72 H73 G78 T79 L80T72-D76 VanDerWaalsContact O-CG 3.25Å; T72-D76 PolarHBondContact O-N 3.31Å; H73-D76 PolarHBondContact O-N 2.69Å; D76-G78 VanDerWaalsContact C-N 3.3Å; D76-G78 PolarHBondContact O-N 3.27Å; D76-T79 PolarHBondContact O-N 3.15Å; D76-T79 VanDerWaalsContact O-N 3.16Å; D76-L80 HydrophobicContact CB-CD1 4.42Å; D76-L80 WeakPolarHBondContact O-CB 3.35Å; D76-L80 VanDerWaalsContact O-CG 3.23Å; D76-L80 WeakPolarHBondContact O-CG 3.23Å; D76-L80 PolarHBondContact O-N 2.95Å
77L97.8Very high97.3Very high8 Ų859.7 Ų59.74%0.04233%0.328CS..Hα-helixtrans-55.5-44175.2-81.3165.1000112.1S10 P19 H73 V75 R81 H92 V94 Y117S10-L77 WeakPolarHBondContact OG-CD1 3.36Å; P19-L77 HydrophobicContact CB-CD1 3.56Å; P19-L77 HydrophobicContact CG-CD1 3.65Å; H73-L77 WeakPolarHBondContact O-CG 3.35Å; H73-L77 PolarHBondContact O-N 2.88Å; V75-L77 PolarHBondContact O-N 2.88Å; L77-R81 VanDerWaalsContact O-CB 3.25Å; L77-R81 WeakPolarHBondContact O-CB 3.03Å; L77-R81 PolarHBondContact O-N 2.87Å; L77-H92 HydrophobicContact CD2-CB 3.99Å; L77-H92 WeakPolarHBondContact CD2-O 3.42Å; L77-V94 HydrophobicContact CD2-CB 4.34Å; L77-V94 HydrophobicContact CD2-CG2 3.65Å; L77-V94 HydrophobicContact CG-CB 4.43Å; L77-V94 HydrophobicContact CG-CG2 3.84Å; L77-Y117 HydrophobicContact CD2-CE2 4.41Å
78G96.1Very high96.9Very high37 Ų3762.3 Ų62.338%0.38134%0.341SS..Hα-helixtrans-68.8-40.9176.800000112.8R74 V75 D76 G82R74-G78 PolarHBondContact O-N 2.87Å; V75-G78 PolarHBondContact O-N 2.98Å; D76-G78 VanDerWaalsContact C-N 3.3Å; D76-G78 PolarHBondContact O-N 3.27Å; G78-G82 PolarHBondContact O-N 2.9Å; G78-G82 VanDerWaalsContact O-N 3.17Å
79T97.4Very high96.6Very high49 Ų4963.9 Ų63.930%0.30135%0.354SS..Hα-helixtrans-66-48.1-179.8-590000111.6V75 D76 G82 Y83V75-T79 WeakPolarHBondContact O-CB 3.39Å; V75-T79 PolarHBondContact O-N 2.79Å; V75-T79 PolarHBondContact O-OG1 2.91Å; D76-T79 PolarHBondContact O-N 3.15Å; D76-T79 VanDerWaalsContact O-N 3.16Å; T79-G82 WeakPolarHBondContact O-CA 2.94Å; T79-G82 PolarHBondContact O-N 2.03Å; T79-G82 VanDerWaalsContact O-N 3.17Å; T79-Y83 HydrophobicContact CG2-CD1 4.4Å; T79-Y83 HydrophobicContact CG2-CD2 4.39Å; T79-Y83 HydrophobicContact CG2-CE1 3.83Å; T79-Y83 HydrophobicContact CG2-CE2 3.81Å; T79-Y83 VanDerWaalsContact CG2-CZ 3.49Å; T79-Y83 PolarHBondContact O-N 2.94Å
80L97.9Very high96.4Very high11 Ų1162.4 Ų62.46%0.05835%0.353CS..Hα-helixtrans-64.9-44.9-179.6-68.5167.3000110.9D76 G82 Y83 Y84 V94 Y117 Y122D76-L80 HydrophobicContact CB-CD1 4.42Å; D76-L80 WeakPolarHBondContact O-CB 3.35Å; D76-L80 VanDerWaalsContact O-CG 3.23Å; D76-L80 WeakPolarHBondContact O-CG 3.23Å; D76-L80 PolarHBondContact O-N 2.95Å; L80-G82 PolarHBondContact O-N 2.81Å; L80-Y83 HydrophobicContact CD2-CD2 4.45Å; L80-Y83 PolarHBondContact O-N 3.31Å; L80-Y84 HydrophobicContact CD2-CE2 4.32Å; L80-Y84 WeakPolarHBondContact O-CD2 3.39Å; L80-Y84 PolarHBondContact O-N 2.83Å; L80-V94 HydrophobicContact CD1-CG2 3.52Å; L80-Y117 HydrophobicContact CB-CD1 4.28Å; L80-Y117 HydrophobicContact CB-CD2 4.07Å; L80-Y117 HydrophobicContact CB-CE1 3.98Å; L80-Y117 HydrophobicContact CB-CE2 3.77Å; L80-Y117 HydrophobicContact CB-CG 4.31Å; L80-Y117 HydrophobicContact CD1-CD2 3.6Å; L80-Y117 HydrophobicContact CD1-CE2 4.01Å; L80-Y117 HydrophobicContact CD1-CG 3.98Å; L80-Y117 HydrophobicContact CG-CD2 4.42Å; L80-Y122 HydrophobicContact CD2-CD1 4.32Å; L80-Y122 HydrophobicContact CD2-CD2 4.06Å; L80-Y122 HydrophobicContact CD2-CE1 3.73Å; L80-Y122 HydrophobicContact CD2-CE2 3.41Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.41Å; L80-Y122 HydrophobicContact CD2-CG 4.47Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.12Å
81R96.8Very high96.4Very high72 Ų7265.1 Ų65.127%0.27237%0.372SS..Hα-helixtrans-52.4-42.4172.8-174.7-17368.5176.211111.6L77 N85 Q86 E88 Y117L77-R81 VanDerWaalsContact O-CB 3.25Å; L77-R81 WeakPolarHBondContact O-CB 3.03Å; L77-R81 PolarHBondContact O-N 2.87Å; R81-N85 PolarHBondContact O-N 3.2Å; R81-N85 VanDerWaalsContact O-N 3.15Å; R81-Q86 HydrophobicContact CG-CB 3.83Å; R81-Q86 WeakPolarHBondContact CG-O 3.41Å; R81-Q86 PolarHBondContact O-N 2.97Å; R81-E88 IonicContact CZ-OE1 2.72Å; R81-E88 IonicContact NH1-OE1 3.04Å; R81-E88 PolarHBondContact NH1-OE1 3Å; R81-E88 IonicContact NH2-OE1 2.7Å; R81-E88 PolarHBondContact NH2-OE1 2.89Å; R81-Y117 PolarHBondContact N-OH 3.2Å
82G96.9Very high96.4Very high45 Ų4560.8 Ų60.846%0.46435%0.352SS..Hα-helixtrans-64.7-47.1174.900000113.3G78 T79 L80 Y84 N85G78-G82 PolarHBondContact O-N 2.9Å; G78-G82 VanDerWaalsContact O-N 3.17Å; T79-G82 WeakPolarHBondContact O-CA 2.94Å; T79-G82 PolarHBondContact O-N 2.03Å; T79-G82 VanDerWaalsContact O-N 3.17Å; L80-G82 PolarHBondContact O-N 2.81Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 2.92Å; G82-N85 PolarHBondContact O-N 2.75Å; G82-N85 VanDerWaalsContact O-N 3.13Å; G82-N85 PolarHBondContact O-OD1 3.21Å
83Y97.9Very high96.5Very high57 Ų5759.5 Ų59.522%0.22434%0.344CS..Hα-helixtrans-60.8-35.1178.6-68.7-8.2000113.1T79 L80 I141 K145T79-Y83 HydrophobicContact CG2-CD1 4.4Å; T79-Y83 HydrophobicContact CG2-CD2 4.39Å; T79-Y83 HydrophobicContact CG2-CE1 3.83Å; T79-Y83 HydrophobicContact CG2-CE2 3.81Å; T79-Y83 VanDerWaalsContact CG2-CZ 3.49Å; T79-Y83 PolarHBondContact O-N 2.94Å; L80-Y83 HydrophobicContact CD2-CD2 4.45Å; L80-Y83 PolarHBondContact O-N 3.31Å; Y83-I141 HydrophobicContact CD1-CD1 4.24Å; Y83-I141 HydrophobicContact CD2-CD1 4.39Å; Y83-I141 HydrophobicContact CE1-CD1 4.39Å; Y83-I141 HydrophobicContact CE1-CG2 4.19Å; Y83-I141 HydrophobicContact CE2-CB 4.07Å; Y83-I141 HydrophobicContact CE2-CG2 4.01Å; Y83-I141 HydrophobicContact CG-CD1 4.24Å; Y83-K145 PolarHBondContact OH-NZ 2.84Å
84Y97.6Very high96.5Very high66 Ų6659.5 Ų59.526%0.25934%0.344SS..THydrogen-bonded Turntrans-91.34.1178.9-68.9-72.8000113.9L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.32Å; L80-Y84 WeakPolarHBondContact O-CD2 3.39Å; L80-Y84 PolarHBondContact O-N 2.83Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 2.92Å; Y84-Q86 PolarHBondContact O-N 3.36Å; Y84-Y117 AromaticContact CD2-CD1 3.68Å; Y84-Y117 HydrophobicContact CD2-CD1 3.68Å; 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 3.49Å; Y84-Y117 HydrophobicContact CE2-CD1 3.49Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.49Å; Y84-Y117 AromaticContact CE2-CE1 3.83Å; Y84-Y117 HydrophobicContact CE2-CE1 3.83Å; Y84-Y117 HydrophobicContact CE2-CG 4.48Å; Y84-Y117 HydrophobicContact CG-CE1 4.37Å; Y84-Y122 HydrophobicContact CE2-CD2 4.4Å; Y84-Y122 HydrophobicContact CE2-CE2 4.15Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.39Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.28Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.22Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.04Å; Y84-D136 VanDerWaalsContact CZ-OD2 3.32Å; Y84-D136 VanDerWaalsContact OH-CG 3.23Å; Y84-D136 PolarHBondContact OH-OD1 2.84Å; Y84-D136 PolarHBondContact OH-OD2 3.48Å; Y84-A138 HydrophobicContact CD1-CB 4.19Å; Y84-A138 HydrophobicContact CD2-CB 4.47Å; Y84-A138 HydrophobicContact CE1-CB 3.62Å; Y84-A138 HydrophobicContact CE2-CB 3.92Å; Y84-A138 VanDerWaalsContact CZ-CB 3.47Å
85N96.6Very high96.6Very high153 Ų15358 Ų5882%0.81834%0.342SS*.THydrogen-bonded Turntrans51.740.4-177.5-58.6-54000113.3R81 G82R81-N85 PolarHBondContact O-N 3.2Å; R81-N85 VanDerWaalsContact O-N 3.15Å; G82-N85 PolarHBondContact O-N 2.75Å; G82-N85 VanDerWaalsContact O-N 3.13Å; G82-N85 PolarHBondContact O-OD1 3.21Å
86Q96.9Very high96.7Very high63 Ų6354.6 Ų54.629%0.29432%0.319SS..  trans-89.5151.3-176.6-70.6166.2-34.400112R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.83Å; R81-Q86 WeakPolarHBondContact CG-O 3.41Å; R81-Q86 PolarHBondContact O-N 2.97Å; Y84-Q86 PolarHBondContact O-N 3.36Å; Q86-H92 PolarHBondContact OE1-CE1 2.85Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.23Å; Q86-Y117 PolarHBondContact OE1-OH 2.92Å; Q86-D118 PolarHBondContact NE2-OD2 3.43Å
87S94.4Very high96.7Very high78 Ų7853.7 Ų53.755%0.54531%0.313SS..  trans-70.4153.1-178.575.50000113A89 G90S87-A89 PolarHBondContact O-N 2.93Å; S87-G90 PolarHBondContact O-N 2.88Å
88E91.1Very high96.8Very high138 Ų13854.2 Ų54.265%0.64532%0.315SS*.THydrogen-bonded Turntrans-70.3-20176.7-54.8-153.8125.600114.4P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.27Å; P14-E88 WeakPolarHBondContact CG-O 3.36Å; R81-E88 IonicContact CZ-OE1 2.72Å; R81-E88 IonicContact NH1-OE1 3.04Å; R81-E88 PolarHBondContact NH1-OE1 3Å; R81-E88 IonicContact NH2-OE1 2.7Å; R81-E88 PolarHBondContact NH2-OE1 2.89Å; E88-G90 VanDerWaalsContact C-N 3.27Å; E88-G90 PolarHBondContact O-N 3.4Å
89A92.2Very high96.9Very high88 Ų8852.4 Ų52.473%0.72730%0.297SS*.THydrogen-bonded Turntrans-76.2-16.1179.600000113S87S87-A89 PolarHBondContact O-N 2.93Å
90G93.1Very high96.9Very high21 Ų2150.1 Ų50.122%0.21628%0.283CS..SBendtrans-75.6134.8-179.400000112.7P14 S87 E88 H92P14-G90 WeakPolarHBondContact CG-O 3.18Å; S87-G90 PolarHBondContact O-N 2.88Å; E88-G90 VanDerWaalsContact C-N 3.27Å; E88-G90 PolarHBondContact O-N 3.4Å; G90-H92 PolarHBondContact O-CD2 2.83Å
91S97.1Very high96.9Very high74 Ų7450.8 Ų50.852%0.51729%0.286SS..  trans-80.6132.5164.9-1770000109S12S12-S91 PolarHBondContact O-OG 2.93Å
92H98.1Very high97Very high14 Ų1447.3 Ų47.37%0.06527%0.273CS..  trans-130.7152.4-176-64.9-72.9000110.6V11 S12 L77 Q86 G90 Y117 D118V11-H92 WeakPolarHBondContact CA-O 3.47Å; S12-H92 PolarHBondContact N-O 3Å; S12-H92 PolarHBondContact OG-N 3.32Å; S12-H92 PolarHBondContact OG-O 2.79Å; L77-H92 HydrophobicContact CD2-CB 3.99Å; L77-H92 WeakPolarHBondContact CD2-O 3.42Å; Q86-H92 PolarHBondContact OE1-CE1 2.85Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.23Å; G90-H92 PolarHBondContact O-CD2 2.83Å; H92-Y117 HydrophobicContact CB-CE2 3.88Å; H92-Y117 WeakPolarHBondContact CB-OH 3.11Å; H92-Y117 VanDerWaalsContact CG-OH 3.25Å; H92-Y117 AromaticContact ND1-CZ 3.92Å; H92-Y117 PolarHBondContact ND1-OH 2.72Å; H92-D118 WeakPolarHBondContact CA-OD1 3.43Å; H92-D118 IonicContact CE1-OD2 3.74Å; H92-D118 IonicContact CG-OD1 3.13Å; H92-D118 IonicContact CG-OD2 2.72Å; H92-D118 IonicContact ND1-OD1 3.71Å; H92-D118 IonicContact ND1-OD2 3.5Å; H92-D118 PolarHBondContact ND1-OD2 3.45Å
93T98.6Very high96.9Very high35 Ų3545.5 Ų45.522%0.21525%0.254CS..EExtended strand (participates in β ladder)trans-125.1129-176.7-54.50000111.1T9 S10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 3.88Å; S10-T93 CarbonylContact O-C 3.58Å; S10-T93 VanDerWaalsContact O-CA 3.29Å; S10-T93 WeakPolarHBondContact O-CA 3.29Å; V11-T93 HydrophobicContact CG2-CG2 4.16Å; T93-Q95 HydrophobicContact CG2-CG 3.93Å; T93-Y117 CarbonylContact O-C 3.52Å; T93-Y117 WeakPolarHBondContact O-CA 3.38Å; T93-Y117 VanDerWaalsContact O-CD2 3.23Å; T93-Y117 WeakPolarHBondContact O-CD2 3.22Å; T93-D118 PolarHBondContact N-OD1 2.94Å; T93-D118 PolarHBondContact O-N 3.3Å
94V98.6Very high96.6Very high1 Ų147.7 Ų47.71%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-111.8124.8168.1173.60000108.6T9 S10 L77 L80 Y115 Y117T9-V94 WeakPolarHBondContact CA-O 3.37Å; S10-V94 PolarHBondContact N-O 2.61Å; S10-V94 PolarHBondContact O-N 2.98Å; L77-V94 HydrophobicContact CD2-CB 4.34Å; L77-V94 HydrophobicContact CD2-CG2 3.65Å; L77-V94 HydrophobicContact CG-CB 4.43Å; L77-V94 HydrophobicContact CG-CG2 3.84Å; L80-V94 HydrophobicContact CD1-CG2 3.52Å; V94-Y115 HydrophobicContact CG1-CD1 4.04Å; V94-Y115 HydrophobicContact CG1-CE1 4.42Å; V94-Y117 HydrophobicContact CG2-CD2 3.68Å; V94-Y117 HydrophobicContact CG2-CE2 4.02Å
95Q98.8Very high96.3Very high76 Ų7648.5 Ų48.536%0.35529%0.287SS..EExtended strand (participates in β ladder)trans-116.8143.7175.3-62.8173.1-85.500109.9F8 T9 T93 Y115 A116F8-Q95 CarbonylContact O-C 3.58Å; F8-Q95 VanDerWaalsContact O-CA 3.28Å; F8-Q95 WeakPolarHBondContact O-CA 3.34Å; T9-Q95 HydrophobicContact CG2-CG 3.97Å; T93-Q95 HydrophobicContact CG2-CG 3.93Å; Q95-Y115 CarbonylContact O-C 3.57Å; Q95-Y115 VanDerWaalsContact O-CA 3.22Å; Q95-Y115 WeakPolarHBondContact O-CA 3.42Å; Q95-A116 HydrophobicContact CB-CB 4.32Å; Q95-A116 PolarHBondContact N-O 2.97Å; Q95-A116 PolarHBondContact O-N 2.72Å
96R98.5Very high96Very high20 Ų2045.5 Ų45.58%0.07526%0.264CS..EExtended strand (participates in β ladder)trans-133.3134.8173.7-177.8-168.6-175.3-158.4-4.5109.2F7 F8 H69 Y98 H113 Q114 Y115F7-R96 WeakPolarHBondContact CA-O 3.46Å; F8-R96 HydrophobicContact CB-CB 4.35Å; F8-R96 PolarHBondContact N-O 2.84Å; F8-R96 PolarHBondContact O-N 3.32Å; H69-R96 PolarHBondContact CE1-NH1 3.33Å; H69-R96 PolarHBondContact ND1-NH1 3.39Å; R96-Y98 HydrophobicContact CG-CD1 4.37Å; R96-H113 PolarHBondContact NE-NE2 3.18Å; R96-H113 VanDerWaalsContact NE-NE2 3.15Å; R96-H113 PolarHBondContact NH2-CD2 3.2Å; R96-H113 VanDerWaalsContact NH2-CD2 3.31Å; R96-H113 PolarHBondContact NH2-NE2 3.13Å; R96-Q114 CarbonylContact C-O 3.56Å; R96-Q114 VanDerWaalsContact CA-O 3.32Å; R96-Q114 WeakPolarHBondContact CA-O 3.48Å; R96-Y115 HydrophobicContact CB-CD1 4.02Å; R96-Y115 HydrophobicContact CB-CE1 3.86Å; R96-Y115 HydrophobicContact CB-CE2 4.34Å; R96-Y115 HydrophobicContact CB-CG 4.37Å; R96-Y115 VanDerWaalsContact CD-OH 3.24Å; R96-Y115 WeakPolarHBondContact CD-OH 3.19Å; R96-Y115 HydrophobicContact CG-CD1 4.32Å; R96-Y115 HydrophobicContact CG-CD2 4.03Å; R96-Y115 HydrophobicContact CG-CE1 3.97Å; R96-Y115 HydrophobicContact CG-CE2 3.61Å; R96-Y115 HydrophobicContact CG-CG 4.37Å; R96-Y115 PolarHBondContact NE-OH 3.12Å
97M98.6Very high96Very high21 Ų2150.8 Ų50.810%0.10328%0.281CS..EExtended strand (participates in β ladder)trans-122.5132166.9-173.3-79.8-69.100109.2Y6 F7 Y112 H113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.5Å; F7-M97 HydrophobicContact CD1-CB 3.97Å; F7-M97 HydrophobicContact CD1-CG 3.58Å; F7-M97 HydrophobicContact CE1-CB 4.13Å; F7-M97 HydrophobicContact CE1-CG 3.33Å; F7-M97 HydrophobicContact CG-CG 4.38Å; F7-M97 HydrophobicContact CZ-CG 3.94Å; M97-Y112 HydrophobicContact CE-CD1 4.17Å; M97-Y112 HydrophobicContact CE-CG 4.1Å; M97-H113 WeakPolarHBondContact O-CA 3.5Å; M97-Q114 HydrophobicContact CB-CG 4.02Å; M97-Q114 VanDerWaalsContact CE-CD 3.42Å; M97-Q114 HydrophobicContact CE-CG 3.91Å; M97-Q114 PolarHBondContact N-O 2.97Å; M97-Q114 PolarHBondContact O-N 3.21Å
98Y98.6Very high96.1Very high19 Ų1949.9 Ų49.98%0.07527%0.268CS..EExtended strand (participates in β ladder)trans-146.4158.8170.371.6-83.9000111.3Y6 F8 R96 Y112 Y158Y6-Y98 AromaticContact CD2-CE2 3.72Å; Y6-Y98 HydrophobicContact CD2-CE2 3.72Å; Y6-Y98 AromaticContact CD2-CZ 3.77Å; Y6-Y98 HydrophobicContact CE2-CE2 4.48Å; Y6-Y98 HydrophobicContact CG-CE1 4.27Å; Y6-Y98 HydrophobicContact CG-CE2 4.21Å; Y6-Y98 AromaticContact CG-CZ 3.78Å; Y6-Y98 PolarHBondContact N-O 3.37Å; Y6-Y98 PolarHBondContact O-N 3.27Å; Y6-Y98 VanDerWaalsContact O-N 3.1Å; F8-Y98 HydrophobicContact CD2-CE1 4.26Å; F8-Y98 HydrophobicContact CE1-CE1 4.18Å; F8-Y98 AromaticContact CE2-CE1 3.57Å; F8-Y98 HydrophobicContact CE2-CE1 3.57Å; F8-Y98 AromaticContact CZ-CE1 3.53Å; F8-Y98 HydrophobicContact CZ-CE1 3.53Å; F8-Y98 AromaticContact CZ-CZ 3.91Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.4Å; R96-Y98 HydrophobicContact CG-CD1 4.37Å; Y98-Y112 WeakPolarHBondContact CA-O 3.48Å; Y98-Y112 VanDerWaalsContact CB-O 3.28Å; Y98-Y112 WeakPolarHBondContact CB-O 3.43Å; Y98-Y158 AromaticContact CD2-CE1 3.9Å; Y98-Y158 HydrophobicContact CD2-CE1 3.9Å; Y98-Y158 AromaticContact CE2-CE1 3.83Å; Y98-Y158 HydrophobicContact CE2-CE1 3.83Å
99G98.6Very high96.4Very high0 Ų048.3 Ų48.30%026%0.263CS..EExtended strand (participates in β ladder)trans160.4-177.2-179.200000113.4M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.58Å; M4-G99 WeakPolarHBondContact O-CA 3.3Å; G99-G111 CarbonylContact O-C 3.49Å; G99-G111 WeakPolarHBondContact O-CA 3.41Å; G99-Y112 PolarHBondContact N-O 3.13Å; G99-Y112 VanDerWaalsContact N-O 3.08Å; G99-Y112 PolarHBondContact O-N 3.36Å; G99-L159 VanDerWaalsContact O-CD2 3.23Å; G99-L159 WeakPolarHBondContact O-CD2 3.46Å
100C98.6Very high96.7Very high0 Ų048.5 Ų48.50%025%0.245CC..EExtended strand (participates in β ladder)trans-135.8153.1-176.256.10000111.5S3 M4 F108 R110 C163S3-C100 WeakPolarHBondContact CA-O 3.34Å; M4-C100 PolarHBondContact N-O 3.33Å; M4-C100 PolarHBondContact O-N 3.48Å; C100-F108 HydrophobicContact CB-CD2 4.4Å; C100-F108 HydrophobicContact CB-CE2 4.11Å; C100-R110 CarbonylContact C-O 3.55Å; C100-R110 VanDerWaalsContact CA-O 3.29Å; C100-R110 WeakPolarHBondContact CA-O 3.38Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.28Å; C100-C163 PolarHBondContact N-SG 3.41Å; C100-C163 VanDerWaalsContact N-SG 3.37Å; C100-C163 WeakPolarHBondContact SG-CB 3.39Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.74Å
101D98.4Very high96.9Very high25 Ų2547.8 Ų47.813%0.13424%0.237CC..EExtended strand (participates in β ladder)trans-114.5143173.6-60-12000109.6H2 S3 R5 L109 R110 Y112H2-D101 CarbonylContact O-C 3.52Å; H2-D101 WeakPolarHBondContact O-CA 3.28Å; S3-D101 WeakPolarHBondContact CB-OD1 3.26Å; R5-D101 IonicContact CZ-OD1 2.72Å; R5-D101 IonicContact NE-OD1 3.71Å; R5-D101 PolarHBondContact NE-OD1 3.41Å; R5-D101 VanDerWaalsContact NH2-CG 3.26Å; R5-D101 IonicContact NH2-OD1 3.43Å; R5-D101 PolarHBondContact NH2-OD1 3.29Å; R5-D101 IonicContact NH2-OD2 3.3Å; R5-D101 PolarHBondContact NH2-OD2 3.42Å; D101-L109 HydrophobicContact CB-CB 4.33Å; D101-L109 PolarHBondContact O-N 2.95Å; D101-R110 HydrophobicContact CB-CB 4.36Å; D101-R110 PolarHBondContact N-O 2.83Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.45Å; D101-Y112 PolarHBondContact OD2-OH 3.21Å
102V97.8Very high97Very high0 Ų046.1 Ų46.10%022%0.22CC..EExtended strand (participates in β ladder)trans-124.6145.3175.1-61.10000111.6S1 H2 W106 R107 V164 L167S1-V102 WeakPolarHBondContact CA-O 3.46Å; S1-V102 VanDerWaalsContact CB-O 3.28Å; S1-V102 WeakPolarHBondContact CB-O 3.36Å; H2-V102 HydrophobicContact CB-CG2 4Å; H2-V102 PolarHBondContact N-O 2.9Å; H2-V102 PolarHBondContact O-N 3.23Å; V102-W106 HydrophobicContact CG2-CE3 4.46Å; V102-R107 CarbonylContact C-O 3.58Å; V102-R107 WeakPolarHBondContact CA-O 3.39Å; V102-V164 HydrophobicContact CG1-CB 4.37Å; V102-V164 HydrophobicContact CG1-CG1 3.86Å; V102-V164 HydrophobicContact CG1-CG2 4Å; V102-L167 HydrophobicContact CB-CD2 4.36Å; V102-L167 HydrophobicContact CG1-CD2 3.94Å; V102-L167 HydrophobicContact CG2-CD2 3.62Å; V102-L167 HydrophobicContact CG2-CG 4.36Å
103G95.7Very high97Very high6 Ų645.7 Ų45.76%0.06222%0.218CC..  trans-70.8173.6175.700000112.1D105 W106 R107 L109G103-D105 PolarHBondContact O-N 3.24Å; G103-W106 WeakPolarHBondContact O-CA 3.31Å; G103-W106 PolarHBondContact O-N 3.19Å; G103-R107 PolarHBondContact N-O 2.78Å; G103-L109 VanDerWaalsContact CA-CD1 3.47Å
104S90.9Very high97Very high104 Ų10447.6 Ų47.673%0.72722%0.224SC*.THydrogen-bonded Turntrans-62.4-21.3170.3480000112.7W106S104-W106 VanDerWaalsContact C-N 3.26Å
105D92Very high97Very high83 Ų8348.6 Ų48.644%0.44423%0.228SC..THydrogen-bonded Turntrans-88.19.9172.971-18.5000113.3G103 R107G103-D105 PolarHBondContact O-N 3.24Å; D105-R107 PolarHBondContact O-N 2.91Å; D105-R107 VanDerWaalsContact O-N 3.17Å; D105-R107 WeakPolarHBondContact OD1-CB 3.48Å; D105-R107 PolarHBondContact OD1-N 2.69Å; D105-R107 VanDerWaalsContact OD1-N 3.14Å; D105-R107 WeakPolarHBondContact OD2-CD 3.18Å; D105-R107 VanDerWaalsContact OD2-CG 3.28Å; D105-R107 WeakPolarHBondContact OD2-CG 3.34Å; D105-R107 IonicContact OD2-NE 3.09Å; D105-R107 PolarHBondContact OD2-NE 3.46Å
106W90.1Very high97Very high90 Ų9045.8 Ų45.834%0.34122%0.218SC..SBendtrans66.17.3-179.7-50.997.5000115.1V102 G103 S104 R168 L171V102-W106 HydrophobicContact CG2-CE3 4.46Å; G103-W106 WeakPolarHBondContact O-CA 3.31Å; G103-W106 PolarHBondContact O-N 3.19Å; S104-W106 VanDerWaalsContact C-N 3.26Å; W106-R168 HydrophobicContact CE3-CG 4.09Å; W106-R168 PolarHBondContact O-NE 2.94Å; W106-R168 PolarHBondContact O-NH2 3.27Å; W106-L171 HydrophobicContact CE3-CD1 4.41Å; W106-L171 HydrophobicContact CH2-CB 4.22Å; W106-L171 HydrophobicContact CH2-CD1 4.15Å; W106-L171 HydrophobicContact CZ3-CB 4Å; W106-L171 HydrophobicContact CZ3-CD1 3.45Å; W106-L171 VanDerWaalsContact CZ3-CD1 3.45Å; W106-L171 HydrophobicContact CZ3-CG 4.32Å
107R95.5Very high97Very high174 Ų17445.3 Ų45.366%0.65722%0.216SC*.  trans-81.4148.5179.2-63.4-171.9-175.2-177.2-2110.9V102 G103 D105 L109V102-R107 CarbonylContact C-O 3.58Å; V102-R107 WeakPolarHBondContact CA-O 3.39Å; G103-R107 PolarHBondContact N-O 2.78Å; D105-R107 PolarHBondContact O-N 2.91Å; D105-R107 VanDerWaalsContact O-N 3.17Å; D105-R107 WeakPolarHBondContact OD1-CB 3.48Å; D105-R107 PolarHBondContact OD1-N 2.69Å; D105-R107 VanDerWaalsContact OD1-N 3.14Å; D105-R107 WeakPolarHBondContact OD2-CD 3.18Å; D105-R107 VanDerWaalsContact OD2-CG 3.28Å; D105-R107 WeakPolarHBondContact OD2-CG 3.34Å; D105-R107 IonicContact OD2-NE 3.09Å; D105-R107 PolarHBondContact OD2-NE 3.46Å; R107-L109 PolarHBondContact O-N 2.93Å
108F97.9Very high97Very high58 Ų5847.3 Ų47.325%0.25423%0.227SC..EExtended strand (participates in β ladder)trans-55.2129173178.2-99.5000110.4C100 R110 G111 L129 L159 E160 V164C100-F108 HydrophobicContact CB-CD2 4.4Å; C100-F108 HydrophobicContact CB-CE2 4.11Å; F108-R110 VanDerWaalsContact CE2-C 3.46Å; F108-R110 WeakPolarHBondContact CE2-O 3.35Å; F108-G111 VanDerWaalsContact CZ-N 3.27Å; F108-L129 HydrophobicContact CE1-CD1 3.91Å; F108-L129 HydrophobicContact CZ-CD1 3.66Å; F108-L159 WeakPolarHBondContact CD2-O 3.32Å; F108-L159 HydrophobicContact CE2-CB 4.43Å; F108-L159 WeakPolarHBondContact CE2-O 3.3Å; F108-E160 HydrophobicContact CD1-CG 4.07Å; F108-E160 HydrophobicContact CE1-CG 3.92Å; F108-E160 HydrophobicContact CE2-CG 4.38Å; F108-E160 HydrophobicContact CG-CG 4.36Å; F108-E160 HydrophobicContact CZ-CG 4.07Å; F108-V164 HydrophobicContact CB-CG2 4.09Å; F108-V164 HydrophobicContact CD2-CG2 3.76Å; F108-V164 HydrophobicContact CG-CG2 4.42Å
109L97.5Very high97Very high105 Ų10549.3 Ų49.355%0.5525%0.254SS..EExtended strand (participates in β ladder)trans-108.4-48.9174.9-68.5-178.9000111.8D101 G103 R107D101-L109 HydrophobicContact CB-CB 4.33Å; D101-L109 PolarHBondContact O-N 2.95Å; G103-L109 VanDerWaalsContact CA-CD1 3.47Å; R107-L109 PolarHBondContact O-N 2.93Å
110R97.8Very high97Very high93 Ų9356.9 Ų56.935%0.35129%0.287SS..EExtended strand (participates in β ladder)trans-155.6147.2-171.6-171.8162.4169.9143.77.9111.5C100 D101 F108 Y112 E127C100-R110 CarbonylContact C-O 3.55Å; C100-R110 VanDerWaalsContact CA-O 3.29Å; C100-R110 WeakPolarHBondContact CA-O 3.38Å; D101-R110 HydrophobicContact CB-CB 4.36Å; D101-R110 PolarHBondContact N-O 2.83Å; F108-R110 VanDerWaalsContact CE2-C 3.46Å; F108-R110 WeakPolarHBondContact CE2-O 3.35Å; R110-Y112 HydrophobicContact CB-CE2 4.13Å; R110-Y112 VanDerWaalsContact CD-CZ 3.5Å; R110-Y112 WeakPolarHBondContact CD-OH 3.44Å; R110-Y112 HydrophobicContact CG-CD2 4.49Å; R110-Y112 HydrophobicContact CG-CE1 4.12Å; R110-Y112 HydrophobicContact CG-CE2 3.77Å; R110-Y112 PolarHBondContact NE-OH 2.98Å; R110-E127 VanDerWaalsContact CZ-CD 3.46Å; R110-E127 IonicContact CZ-OE1 2.78Å; R110-E127 IonicContact NH1-OE1 3.37Å; R110-E127 PolarHBondContact NH1-OE1 3.23Å; R110-E127 IonicContact NH1-OE2 3.69Å; R110-E127 VanDerWaalsContact NH2-CG 3.33Å; R110-E127 IonicContact NH2-OE1 2.7Å; R110-E127 PolarHBondContact NH2-OE1 2.8Å
111G98.3Very high97Very high5 Ų562.7 Ų62.75%0.05232%0.318CS..EExtended strand (participates in β ladder)trans-122.9149.1175.100000110.4G99 F108G99-G111 CarbonylContact O-C 3.49Å; G99-G111 WeakPolarHBondContact O-CA 3.41Å; F108-G111 VanDerWaalsContact CZ-N 3.27Å
112Y98.5Very high97Very high40 Ų4062 Ų6216%0.15731%0.314CS..EExtended strand (participates in β ladder)trans-131.2140.9-178.8-53-97.6000109.5R5 M97 Y98 G99 D101 R110R5-Y112 VanDerWaalsContact CZ-CE2 3.46Å; R5-Y112 VanDerWaalsContact NH2-CZ 3.28Å; R5-Y112 PolarHBondContact NH2-OH 2.87Å; M97-Y112 HydrophobicContact CE-CD1 4.17Å; M97-Y112 HydrophobicContact CE-CG 4.1Å; Y98-Y112 WeakPolarHBondContact CA-O 3.48Å; Y98-Y112 VanDerWaalsContact CB-O 3.28Å; Y98-Y112 WeakPolarHBondContact CB-O 3.43Å; G99-Y112 PolarHBondContact N-O 3.13Å; G99-Y112 VanDerWaalsContact N-O 3.08Å; G99-Y112 PolarHBondContact O-N 3.36Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.45Å; D101-Y112 PolarHBondContact OD2-OH 3.21Å; R110-Y112 HydrophobicContact CB-CE2 4.13Å; R110-Y112 VanDerWaalsContact CD-CZ 3.5Å; R110-Y112 WeakPolarHBondContact CD-OH 3.44Å; R110-Y112 HydrophobicContact CG-CD2 4.49Å; R110-Y112 HydrophobicContact CG-CE1 4.12Å; R110-Y112 HydrophobicContact CG-CE2 3.77Å; R110-Y112 PolarHBondContact NE-OH 2.98Å
113H98.6Very high97Very high5 Ų562.2 Ų62.22%0.02332%0.315CS..EExtended strand (participates in β ladder)trans-158.6102.9169.1-175.5-88.8000109.3R96 M97 Y115 L125 W132 W146 L155R96-H113 PolarHBondContact NE-NE2 3.18Å; R96-H113 VanDerWaalsContact NE-NE2 3.15Å; R96-H113 PolarHBondContact NH2-CD2 3.2Å; R96-H113 VanDerWaalsContact NH2-CD2 3.31Å; R96-H113 PolarHBondContact NH2-NE2 3.13Å; M97-H113 WeakPolarHBondContact O-CA 3.5Å; H113-Y115 AromaticContact CE1-CE2 3.44Å; H113-Y115 VanDerWaalsContact CE1-CE2 3.44Å; H113-Y115 WeakPolarHBondContact CE1-CE2 3.5Å; H113-Y115 AromaticContact NE2-CE2 3.88Å; H113-L125 HydrophobicContact CB-CB 3.99Å; H113-L125 HydrophobicContact CB-CD2 4.14Å; H113-L125 WeakPolarHBondContact O-CB 3.44Å; H113-L125 PolarHBondContact O-N 3.3Å; H113-W132 AromaticContact ND1-CH2 3.7Å; H113-W132 AromaticContact ND1-CZ3 3.78Å; H113-W146 AromaticContact CE1-CH2 3.93Å; H113-W146 AromaticContact CE1-CZ3 3.97Å; H113-L155 HydrophobicContact CB-CD1 4.31Å
114Q98.5Very high97.2Very high74 Ų7463.4 Ų63.435%0.34632%0.323SS..EExtended strand (participates in β ladder)trans-139.2147.1-17363.2-166.359.700111.8R96 M97 I123 A124R96-Q114 CarbonylContact C-O 3.56Å; R96-Q114 VanDerWaalsContact CA-O 3.32Å; R96-Q114 WeakPolarHBondContact CA-O 3.48Å; M97-Q114 HydrophobicContact CB-CG 4.02Å; M97-Q114 VanDerWaalsContact CE-CD 3.42Å; M97-Q114 HydrophobicContact CE-CG 3.91Å; M97-Q114 PolarHBondContact N-O 2.97Å; M97-Q114 PolarHBondContact O-N 3.21Å; Q114-I123 WeakPolarHBondContact CA-O 3.15Å; Q114-A124 HydrophobicContact CB-CB 3.88Å
115Y98.6Very high97.5Very high22 Ų2259.2 Ų59.29%0.08629%0.293CS..EExtended strand (participates in β ladder)trans-120.3145.8175.6-76.5-108.8000110.5V94 Q95 R96 H113 Y122 I123 W146V94-Y115 HydrophobicContact CG1-CD1 4.04Å; V94-Y115 HydrophobicContact CG1-CE1 4.42Å; Q95-Y115 CarbonylContact O-C 3.57Å; Q95-Y115 VanDerWaalsContact O-CA 3.22Å; Q95-Y115 WeakPolarHBondContact O-CA 3.42Å; R96-Y115 HydrophobicContact CB-CD1 4.02Å; R96-Y115 HydrophobicContact CB-CE1 3.86Å; R96-Y115 HydrophobicContact CB-CE2 4.34Å; R96-Y115 HydrophobicContact CB-CG 4.37Å; R96-Y115 VanDerWaalsContact CD-OH 3.24Å; R96-Y115 WeakPolarHBondContact CD-OH 3.19Å; R96-Y115 HydrophobicContact CG-CD1 4.32Å; R96-Y115 HydrophobicContact CG-CD2 4.03Å; R96-Y115 HydrophobicContact CG-CE1 3.97Å; R96-Y115 HydrophobicContact CG-CE2 3.61Å; R96-Y115 HydrophobicContact CG-CG 4.37Å; R96-Y115 PolarHBondContact NE-OH 3.12Å; H113-Y115 AromaticContact CE1-CE2 3.44Å; H113-Y115 VanDerWaalsContact CE1-CE2 3.44Å; H113-Y115 WeakPolarHBondContact CE1-CE2 3.5Å; H113-Y115 AromaticContact NE2-CE2 3.88Å; Y115-Y122 WeakPolarHBondContact O-CB 3.35Å; Y115-Y122 PolarHBondContact O-N 3.2Å; Y115-I123 HydrophobicContact CD2-CG2 4.45Å; Y115-I123 PolarHBondContact N-O 2.83Å; Y115-I123 PolarHBondContact O-N 3.2Å; Y115-W146 AromaticContact CD2-CH2 3.87Å; Y115-W146 HydrophobicContact CD2-CH2 3.87Å; Y115-W146 AromaticContact CE2-CH2 3.58Å; Y115-W146 HydrophobicContact CE2-CH2 3.58Å; Y115-W146 HydrophobicContact CE2-CZ2 4.42Å; Y115-W146 HydrophobicContact CE2-CZ3 4.47Å
116A98.8Very high97.8Very high17 Ų1759.5 Ų59.514%0.1429%0.29CS..EExtended strand (participates in β ladder)trans-125.7147.9168.300000110.1Q95 K120Q95-A116 HydrophobicContact CB-CB 4.32Å; Q95-A116 PolarHBondContact N-O 2.97Å; Q95-A116 PolarHBondContact O-N 2.72Å; A116-K120 CarbonylContact C-O 3.56Å; A116-K120 WeakPolarHBondContact CA-O 3.46Å; A116-K120 VanDerWaalsContact CB-O 3.22Å; A116-K120 WeakPolarHBondContact CB-O 3.29Å
117Y98.7Very high98.2Very high10 Ų1061.7 Ų61.74%0.03930%0.304CS..EExtended strand (participates in β ladder)trans-127128176.7-174.5-121.4000109.9L77 L80 R81 Y84 Q86 H92 T93 V94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.41Å; L80-Y117 HydrophobicContact CB-CD1 4.28Å; L80-Y117 HydrophobicContact CB-CD2 4.07Å; L80-Y117 HydrophobicContact CB-CE1 3.98Å; L80-Y117 HydrophobicContact CB-CE2 3.77Å; L80-Y117 HydrophobicContact CB-CG 4.31Å; L80-Y117 HydrophobicContact CD1-CD2 3.6Å; L80-Y117 HydrophobicContact CD1-CE2 4.01Å; L80-Y117 HydrophobicContact CD1-CG 3.98Å; L80-Y117 HydrophobicContact CG-CD2 4.42Å; R81-Y117 PolarHBondContact N-OH 3.2Å; Y84-Y117 AromaticContact CD2-CD1 3.68Å; Y84-Y117 HydrophobicContact CD2-CD1 3.68Å; 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 3.49Å; Y84-Y117 HydrophobicContact CE2-CD1 3.49Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.49Å; Y84-Y117 AromaticContact CE2-CE1 3.83Å; Y84-Y117 HydrophobicContact CE2-CE1 3.83Å; Y84-Y117 HydrophobicContact CE2-CG 4.48Å; Y84-Y117 HydrophobicContact CG-CE1 4.37Å; Q86-Y117 PolarHBondContact OE1-OH 2.92Å; H92-Y117 HydrophobicContact CB-CE2 3.88Å; H92-Y117 WeakPolarHBondContact CB-OH 3.11Å; H92-Y117 VanDerWaalsContact CG-OH 3.25Å; H92-Y117 AromaticContact ND1-CZ 3.92Å; H92-Y117 PolarHBondContact ND1-OH 2.72Å; T93-Y117 CarbonylContact O-C 3.52Å; T93-Y117 WeakPolarHBondContact O-CA 3.38Å; T93-Y117 VanDerWaalsContact O-CD2 3.23Å; T93-Y117 WeakPolarHBondContact O-CD2 3.22Å; V94-Y117 HydrophobicContact CG2-CD2 3.68Å; V94-Y117 HydrophobicContact CG2-CE2 4.02Å; Y117-G119 PolarHBondContact O-N 3.19Å; Y117-K120 PolarHBondContact N-O 2.74Å; Y117-K120 PolarHBondContact O-N 3.5Å
118D98.2Very high98.3Very high63 Ų6357.1 Ų57.134%0.33729%0.293SS..THydrogen-bonded Turntrans49.140.4-175.5-66.6-20.2000113.2Q86 H92 T93 K120Q86-D118 PolarHBondContact NE2-OD2 3.43Å; H92-D118 WeakPolarHBondContact CA-OD1 3.43Å; H92-D118 IonicContact CE1-OD2 3.74Å; H92-D118 IonicContact CG-OD1 3.13Å; H92-D118 IonicContact CG-OD2 2.72Å; H92-D118 IonicContact ND1-OD1 3.71Å; H92-D118 IonicContact ND1-OD2 3.5Å; H92-D118 PolarHBondContact ND1-OD2 3.45Å; T93-D118 PolarHBondContact N-OD1 2.94Å; T93-D118 PolarHBondContact O-N 3.3Å; D118-K120 VanDerWaalsContact C-N 3.3Å; D118-K120 PolarHBondContact O-N 3.27Å
119G97.4Very high98.3Very high61 Ų6154.5 Ų54.563%0.62928%0.282SS*.THydrogen-bonded Turntrans77.36.7178.300000115.2Y117Y117-G119 PolarHBondContact O-N 3.19Å
120K98.4Very high98.3Very high159 Ų15957.5 Ų57.569%0.69129%0.286SS*.EExtended strand (participates in β ladder)trans-113.8145.6177.3-62.4179.4-177.7176.80110.9A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.56Å; A116-K120 WeakPolarHBondContact CA-O 3.46Å; A116-K120 VanDerWaalsContact CB-O 3.22Å; A116-K120 WeakPolarHBondContact CB-O 3.29Å; Y117-K120 PolarHBondContact N-O 2.74Å; Y117-K120 PolarHBondContact O-N 3.5Å; D118-K120 VanDerWaalsContact C-N 3.3Å; D118-K120 PolarHBondContact O-N 3.27Å; K120-Y122 PolarHBondContact O-N 3.48Å
121D98.7Very high98.3Very high123 Ų12354.4 Ų54.466%0.65828%0.278SS*.EExtended strand (participates in β ladder)trans-53.5136.7173.6-70.6-27.5000110.8A135D121-A135 HydrophobicContact CB-CB 4.28Å; D121-A135 WeakPolarHBondContact O-CB 3.48Å
122Y98.8Very high98.3Very high11 Ų1154.2 Ų54.24%0.04328%0.276CS..EExtended strand (participates in β ladder)trans-114.4-65.2178.4179.8-110.1000110.6L80 Y84 Y115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD1 4.32Å; L80-Y122 HydrophobicContact CD2-CD2 4.06Å; L80-Y122 HydrophobicContact CD2-CE1 3.73Å; L80-Y122 HydrophobicContact CD2-CE2 3.41Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.41Å; L80-Y122 HydrophobicContact CD2-CG 4.47Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.12Å; Y84-Y122 HydrophobicContact CE2-CD2 4.4Å; Y84-Y122 HydrophobicContact CE2-CE2 4.15Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.39Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.28Å; Y115-Y122 WeakPolarHBondContact O-CB 3.35Å; Y115-Y122 PolarHBondContact O-N 3.2Å; K120-Y122 PolarHBondContact O-N 3.48Å; Y122-A135 WeakPolarHBondContact O-CB 3.17Å; Y122-A135 PolarHBondContact O-N 2.89Å; Y122-A138 HydrophobicContact CE2-CB 4.41Å; Y122-A138 PolarHBondContact OH-O 2.95Å; Y122-A139 HydrophobicContact CD2-CB 3.8Å; Y122-A139 HydrophobicContact CE1-CB 4.48Å; Y122-A139 VanDerWaalsContact CE2-CA 3.48Å; Y122-A139 HydrophobicContact CE2-CB 3.65Å; Y122-A139 HydrophobicContact CG-CB 4.28Å; Y122-A139 WeakPolarHBondContact O-CB 3.29Å; Y122-T142 HydrophobicContact CE1-CG2 4.16Å; Y122-T142 WeakPolarHBondContact OH-CB 3.43Å; Y122-T142 PolarHBondContact OH-OG1 3.49Å
123I98.8Very high98.3Very high4 Ų455.9 Ų55.92%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-147.5139.7178.8-161.6176.2000110.6Q114 Y115 W132 T133 T142 K143 W146Q114-I123 WeakPolarHBondContact CA-O 3.15Å; Y115-I123 HydrophobicContact CD2-CG2 4.45Å; Y115-I123 PolarHBondContact N-O 2.83Å; Y115-I123 PolarHBondContact O-N 3.2Å; I123-W132 HydrophobicContact CD1-CB 4.27Å; I123-W132 HydrophobicContact CD1-CD2 4.36Å; I123-W132 HydrophobicContact CD1-CE3 4.11Å; I123-W132 HydrophobicContact CD1-CG 4.45Å; I123-W132 HydrophobicContact CG1-CB 4.39Å; I123-W132 HydrophobicContact CG1-CE3 4.04Å; I123-T133 CarbonylContact C-O 3.58Å; I123-T133 WeakPolarHBondContact CA-O 3.44Å; I123-T133 WeakPolarHBondContact CG1-O 3.43Å; I123-T142 HydrophobicContact CD1-CG2 4.03Å; I123-K143 HydrophobicContact CD1-CB 3.87Å; I123-W146 HydrophobicContact CD1-CE3 4.11Å; I123-W146 HydrophobicContact CD1-CZ3 4.39Å; I123-W146 HydrophobicContact CG2-CH2 4.12Å; I123-W146 HydrophobicContact CG2-CZ3 3.83Å
124A98.8Very high98.3Very high30 Ų3056.5 Ų56.525%0.24830%0.296CS..EExtended strand (participates in β ladder)trans-134.8137.4179.600000111.5Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.88Å; A124-W132 WeakPolarHBondContact O-CA 3.5Å; A124-T133 PolarHBondContact N-O 2.88Å; A124-T133 PolarHBondContact O-N 2.89Å
125L98.8Very high98.3Very high16 Ų1655.7 Ų55.78%0.08430%0.302CS..EExtended strand (participates in β ladder)trans-69.6130.2168.3-174.465.3000108.6H113 L129 W132 A152 L155 L159H113-L125 HydrophobicContact CB-CB 3.99Å; H113-L125 HydrophobicContact CB-CD2 4.14Å; H113-L125 WeakPolarHBondContact O-CB 3.44Å; H113-L125 PolarHBondContact O-N 3.3Å; L125-L129 HydrophobicContact CD2-CB 4.44Å; L125-L129 HydrophobicContact CD2-CD2 3.74Å; L125-L129 HydrophobicContact CG-CD2 4.29Å; L125-W132 HydrophobicContact CB-CE3 4.06Å; L125-W132 HydrophobicContact CB-CH2 4.13Å; L125-W132 HydrophobicContact CB-CZ3 3.68Å; L125-W132 HydrophobicContact CD1-CD2 4.18Å; L125-W132 HydrophobicContact CD1-CE3 4.27Å; L125-W132 HydrophobicContact CD1-CH2 4.04Å; L125-W132 HydrophobicContact CD1-CZ2 3.93Å; L125-W132 HydrophobicContact CD1-CZ3 4.18Å; L125-A152 HydrophobicContact CD1-CB 4.04Å; L125-L155 HydrophobicContact CD2-CB 4.36Å; L125-L159 HydrophobicContact CD2-CD1 3.96Å
126K98.4Very high98.3Very high89 Ų8957.4 Ų57.439%0.38731%0.313SS..  trans-73.9166177.6-63.3-161.1-156.9167.30111.4D128 L129 S131 T133K126-D128 PolarHBondContact O-N 2.85Å; K126-D128 VanDerWaalsContact O-N 3.13Å; K126-L129 PolarHBondContact O-N 2.8Å; K126-S131 WeakPolarHBondContact CB-O 3.39Å; K126-S131 VanDerWaalsContact CD-OG 3.22Å; K126-S131 WeakPolarHBondContact CD-OG 3.2Å; K126-S131 WeakPolarHBondContact CG-O 3.41Å; K126-S131 PolarHBondContact N-O 2.83Å; K126-T133 VanDerWaalsContact CE-OG1 3.27Å; K126-T133 WeakPolarHBondContact CE-OG1 3.32Å; K126-T133 WeakPolarHBondContact CG-OG1 3.4Å
127E97.5Very high98.3Very high136 Ų13663.6 Ų63.664%0.63634%0.341SS*.THydrogen-bonded Turntrans-58.7-24.4178.6-63.6-179-170.900113.6R110 L129R110-E127 VanDerWaalsContact CZ-CD 3.46Å; R110-E127 IonicContact CZ-OE1 2.78Å; R110-E127 IonicContact NH1-OE1 3.37Å; R110-E127 PolarHBondContact NH1-OE1 3.23Å; R110-E127 IonicContact NH1-OE2 3.69Å; R110-E127 VanDerWaalsContact NH2-CG 3.33Å; R110-E127 IonicContact NH2-OE1 2.7Å; R110-E127 PolarHBondContact NH2-OE1 2.8Å; E127-L129 PolarHBondContact O-N 3.44Å
128D97.5Very high98.2Very high78 Ų7863.6 Ų63.642%0.41734%0.343SS..THydrogen-bonded Turntrans-70.6-9.6174.767.212.9000114K126 R130 S131K126-D128 PolarHBondContact O-N 2.85Å; K126-D128 VanDerWaalsContact O-N 3.13Å; D128-R130 WeakPolarHBondContact O-CG 3.44Å; D128-R130 PolarHBondContact O-N 3.01Å; D128-R130 VanDerWaalsContact O-N 3.13Å; D128-R130 PolarHBondContact OD1-N 3.17Å; D128-S131 PolarHBondContact OD1-N 3.41Å; D128-S131 PolarHBondContact OD1-OG 3.43Å; D128-S131 WeakPolarHBondContact OD2-CB 3.4Å; D128-S131 PolarHBondContact OD2-OG 2.85Å
129L98.1Very high98.2Very high4 Ų460.6 Ų60.62%0.02133%0.327CS..SBendtrans53.624.9-175.2-51.7178.4000114.3F108 L125 K126 E127 R156 L159 E160F108-L129 HydrophobicContact CE1-CD1 3.91Å; F108-L129 HydrophobicContact CZ-CD1 3.66Å; L125-L129 HydrophobicContact CD2-CB 4.44Å; L125-L129 HydrophobicContact CD2-CD2 3.74Å; L125-L129 HydrophobicContact CG-CD2 4.29Å; K126-L129 PolarHBondContact O-N 2.8Å; E127-L129 PolarHBondContact O-N 3.44Å; L129-R156 HydrophobicContact CB-CB 4.1Å; L129-R156 HydrophobicContact CB-CG 3.91Å; L129-R156 HydrophobicContact CD1-CG 4.06Å; L129-L159 HydrophobicContact CD2-CD1 4.11Å; L129-E160 HydrophobicContact CD1-CG 3.97Å
130R97.5Very high98.3Very high168 Ų16860.3 Ų60.363%0.63431%0.309SS*.SBendtrans-129.8-31.4-176-69.8174.6-171.1-153.73.4112.3D128 R156D128-R130 WeakPolarHBondContact O-CG 3.44Å; D128-R130 PolarHBondContact O-N 3.01Å; D128-R130 VanDerWaalsContact O-N 3.13Å; D128-R130 PolarHBondContact OD1-N 3.17Å; R130-R156 VanDerWaalsContact NH2-NH1 3.2Å
131S97.6Very high98.3Very high28 Ų2855.7 Ų55.720%0.19629%0.291CS..  trans-119.1161.1-17572.70000112.5K126 D128K126-S131 WeakPolarHBondContact CB-O 3.39Å; K126-S131 VanDerWaalsContact CD-OG 3.22Å; K126-S131 WeakPolarHBondContact CD-OG 3.2Å; K126-S131 WeakPolarHBondContact CG-O 3.41Å; K126-S131 PolarHBondContact N-O 2.83Å; D128-S131 PolarHBondContact OD1-N 3.41Å; D128-S131 PolarHBondContact OD1-OG 3.43Å; D128-S131 WeakPolarHBondContact OD2-CB 3.4Å; D128-S131 PolarHBondContact OD2-OG 2.85Å
132W98.7Very high98.3Very high1 Ų150.7 Ų50.70%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-117.6140.3-174.6-6193.5000112H113 I123 A124 L125 K143 W146 V151 A152 L155H113-W132 AromaticContact ND1-CH2 3.7Å; H113-W132 AromaticContact ND1-CZ3 3.78Å; I123-W132 HydrophobicContact CD1-CB 4.27Å; I123-W132 HydrophobicContact CD1-CD2 4.36Å; I123-W132 HydrophobicContact CD1-CE3 4.11Å; I123-W132 HydrophobicContact CD1-CG 4.45Å; I123-W132 HydrophobicContact CG1-CB 4.39Å; I123-W132 HydrophobicContact CG1-CE3 4.04Å; A124-W132 WeakPolarHBondContact O-CA 3.5Å; L125-W132 HydrophobicContact CB-CE3 4.06Å; L125-W132 HydrophobicContact CB-CH2 4.13Å; L125-W132 HydrophobicContact CB-CZ3 3.68Å; L125-W132 HydrophobicContact CD1-CD2 4.18Å; L125-W132 HydrophobicContact CD1-CE3 4.27Å; L125-W132 HydrophobicContact CD1-CH2 4.04Å; L125-W132 HydrophobicContact CD1-CZ2 3.93Å; L125-W132 HydrophobicContact CD1-CZ3 4.18Å; W132-K143 HydrophobicContact CB-CD 4.12Å; W132-K143 HydrophobicContact CB-CG 4.02Å; W132-K143 WeakPolarHBondContact O-CE 3.01Å; W132-K143 PolarHBondContact O-NZ 3.46Å; W132-W146 HydrophobicContact CD2-CE3 4.03Å; W132-W146 AromaticContact CE2-CE3 3.84Å; W132-W146 AromaticContact CE3-CE3 3.83Å; W132-W146 HydrophobicContact CE3-CE3 3.83Å; W132-W146 AromaticContact CE3-CZ3 3.98Å; W132-W146 HydrophobicContact CE3-CZ3 3.98Å; W132-W146 HydrophobicContact CH2-CD2 4.42Å; W132-W146 AromaticContact CH2-CE3 3.24Å; W132-W146 HydrophobicContact CH2-CE3 3.24Å; W132-W146 AromaticContact CH2-CZ3 3.31Å; W132-W146 HydrophobicContact CH2-CZ3 3.31Å; W132-W146 HydrophobicContact CZ2-CD2 4.38Å; W132-W146 AromaticContact CZ2-CE3 3.46Å; W132-W146 HydrophobicContact CZ2-CE3 3.46Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.46Å; W132-W146 HydrophobicContact CZ2-CZ3 4.05Å; W132-W146 AromaticContact CZ3-CE3 3.46Å; W132-W146 HydrophobicContact CZ3-CE3 3.46Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.46Å; W132-W146 AromaticContact CZ3-CZ3 3.29Å; W132-W146 HydrophobicContact CZ3-CZ3 3.29Å; W132-V151 HydrophobicContact CZ2-CB 4.33Å; W132-V151 HydrophobicContact CZ2-CG1 4.12Å; W132-A152 HydrophobicContact CZ2-CB 4.25Å; W132-L155 HydrophobicContact CH2-CD1 3.41Å; W132-L155 VanDerWaalsContact CH2-CD1 3.41Å; W132-L155 HydrophobicContact CZ2-CD1 3.85Å
133T98.6Very high98.3Very high74 Ų7452.1 Ų52.145%0.45427%0.271SS..EExtended strand (participates in β ladder)trans-99.6121.4164.8-60.90000108.4I123 A124 K126I123-T133 CarbonylContact C-O 3.58Å; I123-T133 WeakPolarHBondContact CA-O 3.44Å; I123-T133 WeakPolarHBondContact CG1-O 3.43Å; A124-T133 PolarHBondContact N-O 2.88Å; A124-T133 PolarHBondContact O-N 2.89Å; K126-T133 VanDerWaalsContact CE-OG1 3.27Å; K126-T133 WeakPolarHBondContact CE-OG1 3.32Å; K126-T133 WeakPolarHBondContact CG-OG1 3.4Å
134A98.6Very high98.2Very high18 Ų1859.3 Ų59.315%0.14930%0.298CS..EExtended strand (participates in β ladder)trans-106.6132.8175.100000108.7A139 Q140 K143A134-A139 HydrophobicContact CB-CB 3.69Å; A134-Q140 HydrophobicContact CB-CG 4.33Å; A134-K143 HydrophobicContact CB-CB 4.29Å; A134-K143 HydrophobicContact CB-CD 4.16Å
135A98.4Very high98.2Very high58 Ų5863.6 Ų63.648%0.47931%0.311SS..SBendtrans-76.3-31.9-173.200000113.3D121 Y122D121-A135 HydrophobicContact CB-CB 4.28Å; D121-A135 WeakPolarHBondContact O-CB 3.48Å; Y122-A135 WeakPolarHBondContact O-CB 3.17Å; Y122-A135 PolarHBondContact O-N 2.89Å
136D98.1Very high98.2Very high58 Ų5865.4 Ų65.431%0.3132%0.317SS..SBendtrans-149.6-174.5-178.466.628.2000112.7Y84 A138 A139 Q140Y84-D136 VanDerWaalsContact CE1-OD2 3.22Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.04Å; Y84-D136 VanDerWaalsContact CZ-OD2 3.32Å; Y84-D136 VanDerWaalsContact OH-CG 3.23Å; Y84-D136 PolarHBondContact OH-OD1 2.84Å; Y84-D136 PolarHBondContact OH-OD2 3.48Å; D136-A138 VanDerWaalsContact C-N 3.33Å; D136-A138 PolarHBondContact O-N 3.47Å; D136-A138 WeakPolarHBondContact OD1-CA 3.33Å; D136-A138 WeakPolarHBondContact OD1-CB 3.39Å; D136-A138 PolarHBondContact OD1-N 3.43Å; D136-A139 PolarHBondContact O-N 2.82Å; D136-A139 PolarHBondContact OD1-N 2.88Å; D136-Q140 WeakPolarHBondContact O-CG 3.45Å; D136-Q140 PolarHBondContact O-N 2.88Å; D136-Q140 VanDerWaalsContact O-N 3.09Å
137M97.8Very high98.2Very high147 Ų14765.2 Ų65.272%0.72432%0.318SS*.Hα-helixtrans-65.3-30.4-178.7-69.1-58.8-64.600114Q140M137-Q140 WeakPolarHBondContact O-CB 3.35Å; M137-Q140 PolarHBondContact O-N 2.88Å
138A97.8Very high98.2Very high9 Ų962.5 Ų62.57%0.07432%0.319CS..Hα-helixtrans-70.9-43.5175.300000110Y84 Y122 D136 Q140 I141Y84-A138 HydrophobicContact CD1-CB 4.19Å; Y84-A138 HydrophobicContact CD2-CB 4.47Å; Y84-A138 HydrophobicContact CE1-CB 3.62Å; Y84-A138 HydrophobicContact CE2-CB 3.92Å; Y84-A138 VanDerWaalsContact CZ-CB 3.47Å; Y122-A138 HydrophobicContact CE2-CB 4.41Å; Y122-A138 PolarHBondContact OH-O 2.95Å; D136-A138 VanDerWaalsContact C-N 3.33Å; D136-A138 PolarHBondContact O-N 3.47Å; D136-A138 WeakPolarHBondContact OD1-CA 3.33Å; D136-A138 WeakPolarHBondContact OD1-CB 3.39Å; D136-A138 PolarHBondContact OD1-N 3.43Å; A138-Q140 PolarHBondContact O-N 2.84Å; A138-I141 VanDerWaalsContact O-CB 3.26Å; A138-I141 WeakPolarHBondContact O-CB 3.28Å; A138-I141 PolarHBondContact O-N 2.98Å
139A98.4Very high98.3Very high0 Ų061.6 Ų61.60%032%0.322CS..Hα-helixtrans-60.9-30.1174.800000113.4Y122 A134 D136 I141 T142 K143Y122-A139 HydrophobicContact CD2-CB 3.8Å; Y122-A139 HydrophobicContact CE1-CB 4.48Å; Y122-A139 VanDerWaalsContact CE2-CA 3.48Å; Y122-A139 HydrophobicContact CE2-CB 3.65Å; Y122-A139 HydrophobicContact CG-CB 4.28Å; Y122-A139 WeakPolarHBondContact O-CB 3.29Å; A134-A139 HydrophobicContact CB-CB 3.69Å; D136-A139 PolarHBondContact O-N 2.82Å; D136-A139 PolarHBondContact OD1-N 2.88Å; A139-I141 PolarHBondContact O-N 3.25Å; A139-T142 PolarHBondContact O-N 2.85Å; A139-K143 WeakPolarHBondContact O-CB 3.2Å; A139-K143 PolarHBondContact O-N 3.21Å
140Q98.6Very high98.3Very high56 Ų5666.6 Ų66.626%0.26235%0.345SS..Hα-helixtrans-60.2-30.2172.7-66.8-66.4-20.300112.5A134 D136 M137 A138 R144A134-Q140 HydrophobicContact CB-CG 4.33Å; D136-Q140 WeakPolarHBondContact O-CG 3.45Å; D136-Q140 PolarHBondContact O-N 2.88Å; D136-Q140 VanDerWaalsContact O-N 3.09Å; M137-Q140 WeakPolarHBondContact O-CB 3.35Å; M137-Q140 PolarHBondContact O-N 2.88Å; A138-Q140 PolarHBondContact O-N 2.84Å; Q140-R144 VanDerWaalsContact O-CG 3.31Å; Q140-R144 WeakPolarHBondContact O-CG 3.22Å; Q140-R144 PolarHBondContact O-N 2.99Å; Q140-R144 VanDerWaalsContact O-N 3.08Å
141I98.3Very high98.3Very high62 Ų6259.9 Ų59.932%0.31832%0.323SS..Hα-helixtrans-66.2-48.3176.3-55.4171.9000109.7Y83 A138 A139 R144 K145Y83-I141 HydrophobicContact CD1-CD1 4.24Å; Y83-I141 HydrophobicContact CD2-CD1 4.39Å; Y83-I141 HydrophobicContact CE1-CD1 4.39Å; Y83-I141 HydrophobicContact CE1-CG2 4.19Å; Y83-I141 HydrophobicContact CE2-CB 4.07Å; Y83-I141 HydrophobicContact CE2-CG2 4.01Å; Y83-I141 HydrophobicContact CG-CD1 4.24Å; A138-I141 VanDerWaalsContact O-CB 3.26Å; A138-I141 WeakPolarHBondContact O-CB 3.28Å; A138-I141 PolarHBondContact O-N 2.98Å; A139-I141 PolarHBondContact O-N 3.25Å; I141-R144 PolarHBondContact O-N 3.16Å; I141-K145 WeakPolarHBondContact O-CG 3.46Å; I141-K145 PolarHBondContact O-N 2.96Å
142T98.4Very high98.3Very high17 Ų1759 Ų5910%0.10432%0.316CS..Hα-helixtrans-62.4-44175.6-68.40000111.3Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.16Å; Y122-T142 WeakPolarHBondContact OH-CB 3.43Å; Y122-T142 PolarHBondContact OH-OG1 3.49Å; I123-T142 HydrophobicContact CD1-CG2 4.03Å; A139-T142 PolarHBondContact O-N 2.85Å; T142-R144 PolarHBondContact O-N 2.94Å; T142-K145 WeakPolarHBondContact O-CB 3.4Å; T142-K145 PolarHBondContact O-N 3.16Å; T142-K145 VanDerWaalsContact O-N 3.16Å; T142-W146 HydrophobicContact CG2-CD2 3.81Å; T142-W146 HydrophobicContact CG2-CE3 4.32Å; T142-W146 HydrophobicContact CG2-CG 4.12Å; T142-W146 HydrophobicContact CG2-CH2 4.47Å; T142-W146 HydrophobicContact CG2-CZ2 3.99Å; T142-W146 PolarHBondContact O-N 3.08Å
143K98.7Very high98.3Very high41 Ų4164.9 Ų64.918%0.17834%0.344CS..Hα-helixtrans-52.9-52.5177.3174.2171.4175.6174.80111.9I123 W132 A134 A139 K145 W146 E147I123-K143 HydrophobicContact CD1-CB 3.87Å; W132-K143 HydrophobicContact CB-CD 4.12Å; W132-K143 HydrophobicContact CB-CG 4.02Å; W132-K143 WeakPolarHBondContact O-CE 3.01Å; W132-K143 PolarHBondContact O-NZ 3.46Å; A134-K143 HydrophobicContact CB-CB 4.29Å; A134-K143 HydrophobicContact CB-CD 4.16Å; A139-K143 WeakPolarHBondContact O-CB 3.2Å; A139-K143 PolarHBondContact O-N 3.21Å; K143-K145 VanDerWaalsContact C-N 3.32Å; K143-K145 PolarHBondContact O-N 3.15Å; K143-W146 PolarHBondContact O-N 3.15Å; K143-E147 WeakPolarHBondContact CE-OE1 3.37Å; K143-E147 HydrophobicContact CG-CG 4.34Å; K143-E147 IonicContact NZ-OE1 2.83Å; K143-E147 WeakPolarHBondContact O-CB 3.48Å; K143-E147 WeakPolarHBondContact O-CG 3.34Å; K143-E147 PolarHBondContact O-N 2.9Å
144R98.6Very high98.2Very high155 Ų15568 Ų6859%0.58535%0.354SS*.Hα-helixtrans-59.7-41.1179.2-69169.6-168.4158.93.7112.3Q140 I141 T142 A148Q140-R144 VanDerWaalsContact O-CG 3.31Å; Q140-R144 WeakPolarHBondContact O-CG 3.22Å; Q140-R144 PolarHBondContact O-N 2.99Å; Q140-R144 VanDerWaalsContact O-N 3.08Å; I141-R144 PolarHBondContact O-N 3.16Å; T142-R144 PolarHBondContact O-N 2.94Å; R144-A148 WeakPolarHBondContact O-CB 3.49Å; R144-A148 PolarHBondContact O-N 2.89Å
145K98.3Very high98.2Very high120 Ų12068.2 Ų68.252%0.52235%0.352SS..Hα-helixtrans-63.2-44.4176.5-72.5178175-175.90111.6Y83 I141 T142 K143 A149Y83-K145 PolarHBondContact OH-NZ 2.84Å; I141-K145 WeakPolarHBondContact O-CG 3.46Å; I141-K145 PolarHBondContact O-N 2.96Å; T142-K145 WeakPolarHBondContact O-CB 3.4Å; T142-K145 PolarHBondContact O-N 3.16Å; T142-K145 VanDerWaalsContact O-N 3.16Å; K143-K145 VanDerWaalsContact C-N 3.32Å; K143-K145 PolarHBondContact O-N 3.15Å; K145-A149 VanDerWaalsContact O-CB 3.31Å; K145-A149 WeakPolarHBondContact O-CB 3.25Å; K145-A149 PolarHBondContact O-N 3.27Å
146W98.4Very high98.2Very high54 Ų5469.1 Ų69.121%0.20534%0.343CS..Hα-helixtrans-72.3-34.9-178.7-7610.6000113.1H113 Y115 I123 W132 T142 K143 A149 H150 V151H113-W146 AromaticContact CE1-CH2 3.93Å; H113-W146 AromaticContact CE1-CZ3 3.97Å; Y115-W146 AromaticContact CD2-CH2 3.87Å; Y115-W146 HydrophobicContact CD2-CH2 3.87Å; Y115-W146 AromaticContact CE2-CH2 3.58Å; Y115-W146 HydrophobicContact CE2-CH2 3.58Å; Y115-W146 HydrophobicContact CE2-CZ2 4.42Å; Y115-W146 HydrophobicContact CE2-CZ3 4.47Å; I123-W146 HydrophobicContact CD1-CE3 4.11Å; I123-W146 HydrophobicContact CD1-CZ3 4.39Å; I123-W146 HydrophobicContact CG2-CH2 4.12Å; I123-W146 HydrophobicContact CG2-CZ3 3.83Å; W132-W146 HydrophobicContact CD2-CE3 4.03Å; W132-W146 AromaticContact CE2-CE3 3.84Å; W132-W146 AromaticContact CE3-CE3 3.83Å; W132-W146 HydrophobicContact CE3-CE3 3.83Å; W132-W146 AromaticContact CE3-CZ3 3.98Å; W132-W146 HydrophobicContact CE3-CZ3 3.98Å; W132-W146 HydrophobicContact CH2-CD2 4.42Å; W132-W146 AromaticContact CH2-CE3 3.24Å; W132-W146 HydrophobicContact CH2-CE3 3.24Å; W132-W146 AromaticContact CH2-CZ3 3.31Å; W132-W146 HydrophobicContact CH2-CZ3 3.31Å; W132-W146 HydrophobicContact CZ2-CD2 4.38Å; W132-W146 AromaticContact CZ2-CE3 3.46Å; W132-W146 HydrophobicContact CZ2-CE3 3.46Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.46Å; W132-W146 HydrophobicContact CZ2-CZ3 4.05Å; W132-W146 AromaticContact CZ3-CE3 3.46Å; W132-W146 HydrophobicContact CZ3-CE3 3.46Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.46Å; W132-W146 AromaticContact CZ3-CZ3 3.29Å; W132-W146 HydrophobicContact CZ3-CZ3 3.29Å; T142-W146 HydrophobicContact CG2-CD2 3.81Å; T142-W146 HydrophobicContact CG2-CE3 4.32Å; T142-W146 HydrophobicContact CG2-CG 4.12Å; T142-W146 HydrophobicContact CG2-CH2 4.47Å; T142-W146 HydrophobicContact CG2-CZ2 3.99Å; T142-W146 PolarHBondContact O-N 3.08Å; K143-W146 PolarHBondContact O-N 3.15Å; W146-A149 CarbonylContact O-C 3.43Å; W146-A149 PolarHBondContact O-N 2.84Å; W146-H150 PolarHBondContact O-N 2.79Å; W146-H150 VanDerWaalsContact O-N 3.11Å; W146-V151 HydrophobicContact CB-CB 4.02Å; W146-V151 HydrophobicContact CB-CG2 3.93Å; W146-V151 HydrophobicContact CD2-CG1 4.31Å; W146-V151 HydrophobicContact CG-CB 4.18Å; W146-V151 HydrophobicContact CG-CG1 4.42Å; W146-V151 HydrophobicContact CG-CG2 3.91Å; W146-V151 PolarHBondContact O-N 2.79Å
147E98.4Very high98.2Very high86 Ų8669.6 Ų69.640%0.40236%0.355SS..Hα-helixtrans-65.5-47.5172-73.3174160.700111K143 A149 H150K143-E147 WeakPolarHBondContact CE-OE1 3.37Å; K143-E147 HydrophobicContact CG-CG 4.34Å; K143-E147 IonicContact NZ-OE1 2.83Å; K143-E147 WeakPolarHBondContact O-CB 3.48Å; K143-E147 WeakPolarHBondContact O-CG 3.34Å; K143-E147 PolarHBondContact O-N 2.9Å; E147-A149 PolarHBondContact O-N 3.22Å; E147-H150 PolarHBondContact O-N 3.29Å; E147-H150 VanDerWaalsContact O-N 3.1Å
148A98.4Very high98.2Very high79 Ų7965.7 Ų65.765%0.65333%0.333SS*.Hα-helixtrans-63.2-29.8177.100000113.3R144R144-A148 WeakPolarHBondContact O-CB 3.49Å; R144-A148 PolarHBondContact O-N 2.89Å
149A98.2Very high98.2Very high59 Ų5965.3 Ų65.349%0.48833%0.33SS..THydrogen-bonded Turntrans-92.96.8177.300000113.8K145 W146 E147 V151K145-A149 VanDerWaalsContact O-CB 3.31Å; K145-A149 WeakPolarHBondContact O-CB 3.25Å; K145-A149 PolarHBondContact O-N 3.27Å; W146-A149 CarbonylContact O-C 3.43Å; W146-A149 PolarHBondContact O-N 2.84Å; E147-A149 PolarHBondContact O-N 3.22Å; A149-V151 HydrophobicContact CB-CG2 4.01Å; A149-V151 PolarHBondContact O-N 3.13Å; A149-V151 VanDerWaalsContact O-N 3.14Å
150H97.6Very high98.2Very high108 Ų10869 Ų6950%0.535%0.347SS..THydrogen-bonded Turntrans5333.9179.4-63.1-91.9000114.2W146 E147 A152 E153W146-H150 PolarHBondContact O-N 2.79Å; W146-H150 VanDerWaalsContact O-N 3.11Å; E147-H150 PolarHBondContact O-N 3.29Å; E147-H150 VanDerWaalsContact O-N 3.1Å; H150-A152 PolarHBondContact O-N 3.32Å; H150-E153 HydrophobicContact CB-CG 4.46Å; H150-E153 IonicContact CE1-OE1 3.15Å; H150-E153 IonicContact CG-OE1 3.24Å; H150-E153 IonicContact ND1-OE1 2.74Å; H150-E153 PolarHBondContact ND1-OE1 3.46Å; H150-E153 PolarHBondContact O-N 3.26Å; H150-E153 VanDerWaalsContact O-N 3.09Å
151V98.3Very high98.2Very high28 Ų2867.5 Ų67.517%0.1735%0.346CS..Hα-helixtrans-60.4-33-175177.30000111.9W132 W146 A149 E153 Q154 L155W132-V151 HydrophobicContact CZ2-CB 4.33Å; W132-V151 HydrophobicContact CZ2-CG1 4.12Å; W146-V151 HydrophobicContact CB-CB 4.02Å; W146-V151 HydrophobicContact CB-CG2 3.93Å; W146-V151 HydrophobicContact CD2-CG1 4.31Å; W146-V151 HydrophobicContact CG-CB 4.18Å; W146-V151 HydrophobicContact CG-CG1 4.42Å; W146-V151 HydrophobicContact CG-CG2 3.91Å; W146-V151 PolarHBondContact O-N 2.79Å; A149-V151 HydrophobicContact CB-CG2 4.01Å; A149-V151 PolarHBondContact O-N 3.13Å; A149-V151 VanDerWaalsContact O-N 3.14Å; V151-E153 VanDerWaalsContact C-N 3.28Å; V151-E153 PolarHBondContact O-N 3.15Å; V151-Q154 PolarHBondContact O-N 2.94Å; V151-L155 HydrophobicContact CG1-CD1 3.87Å; V151-L155 HydrophobicContact CG1-CG 4.22Å; V151-L155 WeakPolarHBondContact O-CG 3.38Å; V151-L155 PolarHBondContact O-N 3.03Å; V151-L155 VanDerWaalsContact O-N 3.11Å
152A98.3Very high98.1Very high8 Ų867.3 Ų67.37%0.06635%0.348CS..Hα-helixtrans-60.4-36.2178.500000112.5L125 W132 H150 L155 R156L125-A152 HydrophobicContact CD1-CB 4.04Å; W132-A152 HydrophobicContact CZ2-CB 4.25Å; H150-A152 PolarHBondContact O-N 3.32Å; A152-L155 PolarHBondContact O-N 2.96Å; A152-R156 WeakPolarHBondContact O-CB 3.23Å; A152-R156 PolarHBondContact O-N 2.59Å
153E97.7Very high98.2Very high125 Ų12566.5 Ų66.558%0.58434%0.343SS*.Hα-helixtrans-66.8-42.2-179.4-64.6174.2-156.300111.6H150 V151 R156 A157H150-E153 HydrophobicContact CB-CG 4.46Å; H150-E153 IonicContact CE1-OE1 3.15Å; H150-E153 IonicContact CG-OE1 3.24Å; H150-E153 IonicContact ND1-OE1 2.74Å; H150-E153 PolarHBondContact ND1-OE1 3.46Å; H150-E153 PolarHBondContact O-N 3.26Å; H150-E153 VanDerWaalsContact O-N 3.09Å; V151-E153 VanDerWaalsContact C-N 3.28Å; V151-E153 PolarHBondContact O-N 3.15Å; E153-R156 PolarHBondContact O-N 2.9Å; E153-A157 PolarHBondContact O-N 2.92Å
154Q96.9Very high98.1Very high141 Ų14164.9 Ų64.966%0.65934%0.337SS*.Hα-helixtrans-64.6-44.3176.2-63.6-179.5-5.200111.6V151 A157 Y158V151-Q154 PolarHBondContact O-N 2.94Å; Q154-A157 PolarHBondContact O-N 3.33Å; Q154-Y158 PolarHBondContact O-N 3.15Å; Q154-Y158 VanDerWaalsContact O-N 3.14Å
155L98.1Very high98.1Very high22 Ų2263.4 Ų63.412%0.11534%0.337CS..Hα-helixtrans-65.5-41.5177.9-69.3173.8000111.4H113 L125 W132 V151 A152 A157 Y158 L159H113-L155 HydrophobicContact CB-CD1 4.31Å; L125-L155 HydrophobicContact CD2-CB 4.36Å; W132-L155 HydrophobicContact CH2-CD1 3.41Å; W132-L155 VanDerWaalsContact CH2-CD1 3.41Å; W132-L155 HydrophobicContact CZ2-CD1 3.85Å; V151-L155 HydrophobicContact CG1-CD1 3.87Å; V151-L155 HydrophobicContact CG1-CG 4.22Å; V151-L155 WeakPolarHBondContact O-CG 3.38Å; V151-L155 PolarHBondContact O-N 3.03Å; V151-L155 VanDerWaalsContact O-N 3.11Å; A152-L155 PolarHBondContact O-N 2.96Å; L155-A157 PolarHBondContact O-N 3.26Å; L155-Y158 PolarHBondContact O-N 2.86Å; L155-L159 WeakPolarHBondContact O-CB 3.33Å; L155-L159 WeakPolarHBondContact O-CG 3.23Å; L155-L159 PolarHBondContact O-N 3.33Å
156R98.3Very high98.1Very high76 Ų7660.8 Ų60.829%0.28732%0.323SS..Hα-helixtrans-59.2-46.7175.9-176.9174.1-178.5-139.1-16111.6L129 R130 A152 E153 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.1Å; L129-R156 HydrophobicContact CB-CG 3.91Å; L129-R156 HydrophobicContact CD1-CG 4.06Å; R130-R156 VanDerWaalsContact NH2-NH1 3.2Å; A152-R156 WeakPolarHBondContact O-CB 3.23Å; A152-R156 PolarHBondContact O-N 2.59Å; E153-R156 PolarHBondContact O-N 2.9Å; R156-Y158 VanDerWaalsContact C-N 3.31Å; R156-Y158 PolarHBondContact O-N 3.17Å; R156-L159 PolarHBondContact O-N 2.91Å; R156-E160 HydrophobicContact CG-CG 4.14Å; R156-E160 IonicContact CZ-OE1 3.36Å; R156-E160 IonicContact CZ-OE2 3.19Å; R156-E160 IonicContact NE-OE1 3.95Å; R156-E160 PolarHBondContact NE-OE1 3.17Å; R156-E160 IonicContact NE-OE2 3.56Å; R156-E160 PolarHBondContact NE-OE2 3.2Å; R156-E160 IonicContact NH2-OE1 3.02Å; R156-E160 PolarHBondContact NH2-OE1 3.17Å; R156-E160 VanDerWaalsContact NH2-OE1 3.09Å; R156-E160 IonicContact NH2-OE2 3.2Å; R156-E160 PolarHBondContact NH2-OE2 2.81Å; R156-E160 WeakPolarHBondContact O-CB 3.44Å; R156-E160 PolarHBondContact O-N 3.49Å
157A98.3Very high98.1Very high68 Ų6858.2 Ų58.256%0.56231%0.314SS*.Hα-helixtrans-59-42.117700000112.3E153 Q154 L155 G161E153-A157 PolarHBondContact O-N 2.92Å; Q154-A157 PolarHBondContact O-N 3.33Å; L155-A157 PolarHBondContact O-N 3.26Å; A157-G161 PolarHBondContact O-N 3.16Å; A157-G161 VanDerWaalsContact O-N 3.16Å
158Y98.1Very high98Very high65 Ų6559.5 Ų59.526%0.25532%0.315SS..Iπ-helixtrans-65.7-47.1174.5170.6-97.5000112.4Y98 Q154 L155 R156 T162 C163Y98-Y158 AromaticContact CD2-CE1 3.9Å; Y98-Y158 HydrophobicContact CD2-CE1 3.9Å; Y98-Y158 AromaticContact CE2-CE1 3.83Å; Y98-Y158 HydrophobicContact CE2-CE1 3.83Å; Q154-Y158 PolarHBondContact O-N 3.15Å; Q154-Y158 VanDerWaalsContact O-N 3.14Å; L155-Y158 PolarHBondContact O-N 2.86Å; R156-Y158 VanDerWaalsContact C-N 3.31Å; R156-Y158 PolarHBondContact O-N 3.17Å; Y158-T162 HydrophobicContact CD2-CG2 4.03Å; Y158-T162 HydrophobicContact CE2-CG2 3.96Å; Y158-T162 PolarHBondContact O-N 3.46Å; Y158-T162 VanDerWaalsContact O-N 3.17Å; Y158-C163 HydrophobicContact CD1-CB 4.35Å; Y158-C163 HydrophobicContact CE1-CB 3.93Å; Y158-C163 WeakPolarHBondContact O-CB 3.22Å; Y158-C163 PolarHBondContact O-N 2.88Å
159L98.5Very high97.9Very high2 Ų261.7 Ų61.71%0.0131%0.306CS..Iπ-helixtrans-69.7-42.2-173.6-70.8171000112.6G99 F108 L125 L129 L155 R156G99-L159 VanDerWaalsContact O-CD2 3.23Å; G99-L159 WeakPolarHBondContact O-CD2 3.46Å; F108-L159 WeakPolarHBondContact CD2-O 3.32Å; F108-L159 HydrophobicContact CE2-CB 4.43Å; F108-L159 WeakPolarHBondContact CE2-O 3.3Å; L125-L159 HydrophobicContact CD2-CD1 3.96Å; L129-L159 HydrophobicContact CD2-CD1 4.11Å; L155-L159 WeakPolarHBondContact O-CB 3.33Å; L155-L159 WeakPolarHBondContact O-CG 3.23Å; L155-L159 PolarHBondContact O-N 3.33Å; R156-L159 PolarHBondContact O-N 2.91Å
160E98.2Very high97.9Very high76 Ų7658.9 Ų58.936%0.35528%0.283SS..Iπ-helixtrans-78.5-25.7179.1-67.7-178.5174.200112.5F108 L129 R156F108-E160 HydrophobicContact CD1-CG 4.07Å; F108-E160 HydrophobicContact CE1-CG 3.92Å; F108-E160 HydrophobicContact CE2-CG 4.38Å; F108-E160 HydrophobicContact CG-CG 4.36Å; F108-E160 HydrophobicContact CZ-CG 4.07Å; L129-E160 HydrophobicContact CD1-CG 3.97Å; R156-E160 HydrophobicContact CG-CG 4.14Å; R156-E160 IonicContact CZ-OE1 3.36Å; R156-E160 IonicContact CZ-OE2 3.19Å; R156-E160 IonicContact NE-OE1 3.95Å; R156-E160 PolarHBondContact NE-OE1 3.17Å; R156-E160 IonicContact NE-OE2 3.56Å; R156-E160 PolarHBondContact NE-OE2 3.2Å; R156-E160 IonicContact NH2-OE1 3.02Å; R156-E160 PolarHBondContact NH2-OE1 3.17Å; R156-E160 VanDerWaalsContact NH2-OE1 3.09Å; R156-E160 IonicContact NH2-OE2 3.2Å; R156-E160 PolarHBondContact NH2-OE2 2.81Å; R156-E160 WeakPolarHBondContact O-CB 3.44Å; R156-E160 PolarHBondContact O-N 3.49Å
161G97.9Very high97.8Very high25 Ų2553.8 Ų53.826%0.25826%0.26SS..Iπ-helixtrans-108.1-92-177.400000112.9A157 C163 V164 E165A157-G161 PolarHBondContact O-N 3.16Å; A157-G161 VanDerWaalsContact O-N 3.16Å; G161-C163 VanDerWaalsContact C-N 3.28Å; G161-C163 PolarHBondContact O-N 2.9Å; G161-C163 VanDerWaalsContact O-N 3.15Å; G161-V164 WeakPolarHBondContact O-CB 3.39Å; G161-V164 PolarHBondContact O-N 3.24Å; G161-E165 PolarHBondContact O-N 2.87Å
162T97.8Very high97.7Very high58 Ų5858.4 Ų58.436%0.35628%0.279SS..Iπ-helixtrans-53.8-39.7-170.2-55.80000113.7Y158 E165 W166Y158-T162 HydrophobicContact CD2-CG2 4.03Å; Y158-T162 HydrophobicContact CE2-CG2 3.96Å; Y158-T162 PolarHBondContact O-N 3.46Å; Y158-T162 VanDerWaalsContact O-N 3.17Å; T162-E165 PolarHBondContact O-N 3.19Å; T162-W166 PolarHBondContact O-N 3.32Å
163C98.4Very high97.6Very high0 Ų060.2 Ų60.20%029%0.288CS..Hα-helixtrans-61.2-45.7177.4-175.50000111.7M4 C100 Y158 G161 W166 L167M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 VanDerWaalsContact CE-O 3.27Å; M4-C163 WeakPolarHBondContact CE-O 3.41Å; M4-C163 WeakPolarHBondContact CE-SG 3.32Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.28Å; C100-C163 PolarHBondContact N-SG 3.41Å; C100-C163 VanDerWaalsContact N-SG 3.37Å; C100-C163 WeakPolarHBondContact SG-CB 3.39Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.74Å; Y158-C163 HydrophobicContact CD1-CB 4.35Å; Y158-C163 HydrophobicContact CE1-CB 3.93Å; Y158-C163 WeakPolarHBondContact O-CB 3.22Å; Y158-C163 PolarHBondContact O-N 2.88Å; G161-C163 VanDerWaalsContact C-N 3.28Å; G161-C163 PolarHBondContact O-N 2.9Å; G161-C163 VanDerWaalsContact O-N 3.15Å; C163-W166 PolarHBondContact O-N 3.03Å; C163-L167 WeakPolarHBondContact O-CB 3.45Å; C163-L167 PolarHBondContact O-N 2.85Å
164V98.4Very high97.5Very high7 Ų754.4 Ų54.44%0.04226%0.261CS..Hα-helixtrans-66-41178.6174.10000111V102 F108 G161 L167 R168V102-V164 HydrophobicContact CG1-CB 4.37Å; V102-V164 HydrophobicContact CG1-CG1 3.86Å; V102-V164 HydrophobicContact CG1-CG2 4Å; F108-V164 HydrophobicContact CB-CG2 4.09Å; F108-V164 HydrophobicContact CD2-CG2 3.76Å; F108-V164 HydrophobicContact CG-CG2 4.42Å; G161-V164 WeakPolarHBondContact O-CB 3.39Å; G161-V164 PolarHBondContact O-N 3.24Å; V164-L167 PolarHBondContact O-N 3.1Å; V164-R168 VanDerWaalsContact O-CG 3.31Å; V164-R168 WeakPolarHBondContact O-CG 3.41Å; V164-R168 PolarHBondContact O-N 2.69Å
165E97.9Very high97.4Very high125 Ų12553 Ų5358%0.58425%0.253SS*.Hα-helixtrans-61.1-47.6176.8-69.5174.2170.400112G161 T162 R168 R169G161-E165 PolarHBondContact O-N 2.87Å; T162-E165 PolarHBondContact O-N 3.19Å; E165-R168 PolarHBondContact O-N 2.82Å; E165-R169 PolarHBondContact O-N 3.31Å
166W97.9Very high97.2Very high64 Ų6460.5 Ų60.524%0.24229%0.287CS..Hα-helixtrans-64.4-44.1176.1-81.2111.7000112.3M4 Y58 T162 C163 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.03Å; M4-W166 HydrophobicContact SD-CB 4.35Å; Y58-W166 AromaticContact CD2-CH2 3.56Å; Y58-W166 HydrophobicContact CD2-CH2 3.56Å; Y58-W166 HydrophobicContact CD2-CZ2 4.35Å; Y58-W166 AromaticContact CD2-CZ3 3.78Å; Y58-W166 HydrophobicContact CD2-CZ3 3.78Å; Y58-W166 HydrophobicContact CE2-CE3 4.23Å; Y58-W166 AromaticContact CE2-CH2 3.82Å; Y58-W166 HydrophobicContact CE2-CH2 3.82Å; Y58-W166 HydrophobicContact CE2-CZ2 4.47Å; Y58-W166 AromaticContact CE2-CZ3 3.66Å; Y58-W166 HydrophobicContact CE2-CZ3 3.66Å; T162-W166 PolarHBondContact O-N 3.32Å; C163-W166 PolarHBondContact O-N 3.03Å; W166-R168 VanDerWaalsContact C-N 3.3Å; W166-R168 PolarHBondContact O-N 3.03Å; W166-R169 PolarHBondContact O-N 3.22Å; W166-R169 VanDerWaalsContact O-N 3.16Å; W166-Y170 HydrophobicContact CB-CE2 4.01Å; W166-Y170 HydrophobicContact CE3-CD1 4.43Å; W166-Y170 AromaticContact CE3-CE1 3.51Å; W166-Y170 HydrophobicContact CE3-CE1 3.51Å; W166-Y170 HydrophobicContact CE3-CE2 4.41Å; W166-Y170 AromaticContact CE3-CZ 3.49Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.49Å; W166-Y170 VanDerWaalsContact CE3-OH 3.29Å; W166-Y170 AromaticContact CZ3-CE1 3.97Å; W166-Y170 HydrophobicContact CZ3-CE1 3.97Å; W166-Y170 WeakPolarHBondContact O-CD2 3.45Å; W166-Y170 VanDerWaalsContact O-CG 3.23Å; W166-Y170 PolarHBondContact O-N 2.86Å
167L98.3Very high96.9Very high0 Ų059 Ų590%029%0.287CS..Hα-helixtrans-59.2-42.8178.217657.6000111.4M4 V27 V102 C163 V164 Y170 L171M4-L167 HydrophobicContact CB-CB 4.1Å; M4-L167 HydrophobicContact CB-CD1 3.89Å; M4-L167 HydrophobicContact CB-CD2 4.28Å; M4-L167 HydrophobicContact CB-CG 4.29Å; V27-L167 HydrophobicContact CB-CD1 4.47Å; V27-L167 HydrophobicContact CG1-CD1 3.59Å; V27-L167 HydrophobicContact CG2-CD1 4.18Å; V102-L167 HydrophobicContact CB-CD2 4.36Å; V102-L167 HydrophobicContact CG1-CD2 3.94Å; V102-L167 HydrophobicContact CG2-CD2 3.62Å; V102-L167 HydrophobicContact CG2-CG 4.36Å; C163-L167 WeakPolarHBondContact O-CB 3.45Å; C163-L167 PolarHBondContact O-N 2.85Å; V164-L167 PolarHBondContact O-N 3.1Å; L167-Y170 PolarHBondContact O-N 3.2Å; L167-L171 HydrophobicContact CD1-CD1 3.62Å; L167-L171 HydrophobicContact CD1-CG 4.01Å; L167-L171 HydrophobicContact CG-CD1 3.79Å; L167-L171 WeakPolarHBondContact O-CB 3.41Å; L167-L171 WeakPolarHBondContact O-CG 3.19Å; L167-L171 PolarHBondContact O-N 3.02Å
168R96.8Very high96.7Very high114 Ų11455.9 Ų55.943%0.4326%0.261SS..Hα-helixtrans-61.2-45.5174.7-72.9173.7-176.7-177.82112.1W106 V164 E165 W166 Y170 L171 E172W106-R168 HydrophobicContact CE3-CG 4.09Å; W106-R168 PolarHBondContact O-NE 2.94Å; W106-R168 PolarHBondContact O-NH2 3.27Å; V164-R168 VanDerWaalsContact O-CG 3.31Å; V164-R168 WeakPolarHBondContact O-CG 3.41Å; V164-R168 PolarHBondContact O-N 2.69Å; E165-R168 PolarHBondContact O-N 2.82Å; W166-R168 VanDerWaalsContact C-N 3.3Å; W166-R168 PolarHBondContact O-N 3.03Å; R168-Y170 VanDerWaalsContact C-N 3.35Å; R168-Y170 PolarHBondContact O-N 2.9Å; R168-L171 PolarHBondContact O-N 2.72Å; R168-E172 PolarHBondContact O-N 3.11Å
169R96.8Very high96.4Very high124 Ų12456 Ų5647%0.46826%0.263SS..Hα-helixtrans-59.4-45.6176.6179.3178.7174.4118.7-4.6111.4E54 E165 W166 E172 N173E54-R169 IonicContact OE1-CZ 3.67Å; E54-R169 IonicContact OE1-NE 3.3Å; E54-R169 PolarHBondContact OE1-NE 3.29Å; E54-R169 IonicContact OE1-NH2 3.39Å; E54-R169 PolarHBondContact OE1-NH2 2.92Å; E54-R169 IonicContact OE2-CZ 3.88Å; E54-R169 IonicContact OE2-NE 3.7Å; E54-R169 IonicContact OE2-NH2 2.89Å; E54-R169 PolarHBondContact OE2-NH2 3.18Å; E165-R169 PolarHBondContact O-N 3.31Å; W166-R169 PolarHBondContact O-N 3.22Å; W166-R169 VanDerWaalsContact O-N 3.16Å; R169-E172 PolarHBondContact O-N 3.13Å; R169-N173 WeakPolarHBondContact O-CB 3.35Å; R169-N173 PolarHBondContact O-N 2.86Å; R169-N173 PolarHBondContact O-OD1 2.81Å
170Y97.6Very high96.2Very high1 Ų159.6 Ų59.60%0.00428%0.277CS..Hα-helixtrans-66.3-38179-61-27.6000112.6M4 V27 F32 W50 I51 Y58 W166 L167 R168 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.75Å; M4-Y170 HydrophobicContact SD-CE2 3.49Å; M4-Y170 WeakPolarHBondContact SD-CE2 3.37Å; V27-Y170 HydrophobicContact CG2-CD2 3.98Å; F32-Y170 HydrophobicContact CE2-CD2 4.24Å; F32-Y170 AromaticContact CE2-CE2 3.67Å; F32-Y170 HydrophobicContact CE2-CE2 3.67Å; F32-Y170 AromaticContact CE2-CZ 3.96Å; F32-Y170 HydrophobicContact CZ-CD2 4.26Å; F32-Y170 AromaticContact CZ-CE2 3.78Å; F32-Y170 HydrophobicContact CZ-CE2 3.78Å; W50-Y170 HydrophobicContact CH2-CG 4.31Å; W50-Y170 AromaticContact CZ3-CD1 3.93Å; W50-Y170 HydrophobicContact CZ3-CD1 3.93Å; W50-Y170 AromaticContact CZ3-CG 3.81Å; W50-Y170 HydrophobicContact CZ3-CG 3.81Å; I51-Y170 HydrophobicContact CD1-CD1 3.74Å; I51-Y170 HydrophobicContact CD1-CE1 3.38Å; Y58-Y170 HydrophobicContact CE2-CE1 4.36Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.23Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.42Å; Y58-Y170 PolarHBondContact OH-OH 2.88Å; W166-Y170 HydrophobicContact CB-CE2 4.01Å; W166-Y170 HydrophobicContact CE3-CD1 4.43Å; W166-Y170 AromaticContact CE3-CE1 3.51Å; W166-Y170 HydrophobicContact CE3-CE1 3.51Å; W166-Y170 HydrophobicContact CE3-CE2 4.41Å; W166-Y170 AromaticContact CE3-CZ 3.49Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.49Å; W166-Y170 VanDerWaalsContact CE3-OH 3.29Å; W166-Y170 AromaticContact CZ3-CE1 3.97Å; W166-Y170 HydrophobicContact CZ3-CE1 3.97Å; W166-Y170 WeakPolarHBondContact O-CD2 3.45Å; W166-Y170 VanDerWaalsContact O-CG 3.23Å; W166-Y170 PolarHBondContact O-N 2.86Å; L167-Y170 PolarHBondContact O-N 3.2Å; R168-Y170 VanDerWaalsContact C-N 3.35Å; R168-Y170 PolarHBondContact O-N 2.9Å; Y170-E172 VanDerWaalsContact C-N 3.32Å; Y170-E172 PolarHBondContact O-N 3.03Å; Y170-N173 PolarHBondContact O-N 3.45Å; Y170-G174 PolarHBondContact O-N 2.74Å; Y170-L178 WeakPolarHBondContact O-CD1 3.35Å
171L96.3Very high96.1Very high1 Ų158.8 Ų58.81%0.00528%0.277CS..Hα-helixtrans-68.5-30176.3-75.5165.5000113.1H2 V27 W106 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.44Å; H2-L171 VanDerWaalsContact CB-CD1 3.44Å; H2-L171 HydrophobicContact CB-CD2 4.29Å; V27-L171 HydrophobicContact CG1-CD2 3.98Å; V27-L171 HydrophobicContact CG1-CG 4.24Å; W106-L171 HydrophobicContact CE3-CD1 4.41Å; W106-L171 HydrophobicContact CH2-CB 4.22Å; W106-L171 HydrophobicContact CH2-CD1 4.15Å; W106-L171 HydrophobicContact CZ3-CB 4Å; W106-L171 HydrophobicContact CZ3-CD1 3.45Å; W106-L171 VanDerWaalsContact CZ3-CD1 3.45Å; W106-L171 HydrophobicContact CZ3-CG 4.32Å; L167-L171 HydrophobicContact CD1-CD1 3.62Å; L167-L171 HydrophobicContact CD1-CG 4.01Å; L167-L171 HydrophobicContact CG-CD1 3.79Å; L167-L171 WeakPolarHBondContact O-CB 3.41Å; L167-L171 WeakPolarHBondContact O-CG 3.19Å; L167-L171 PolarHBondContact O-N 3.02Å; R168-L171 PolarHBondContact O-N 2.72Å; L171-K175 VanDerWaalsContact O-CA 3.23Å; L171-K175 WeakPolarHBondContact O-CA 3.32Å; L171-K175 WeakPolarHBondContact O-CB 3.36Å; L171-K175 PolarHBondContact O-N 3.36Å; L171-L178 HydrophobicContact CD2-CB 3.79Å; L171-L178 HydrophobicContact CD2-CD1 4.02Å; L171-Q179 HydrophobicContact CD2-CG 4.38Å; L171-Q179 PolarHBondContact O-NE2 3.2Å
172E95.8Very high96Very high124 Ų12460.2 Ų60.258%0.57928%0.279SS*.Hα-helixtrans-72.8-48.7171-170.560.7-151.300110.8R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 3.11Å; R169-E172 PolarHBondContact O-N 3.13Å; Y170-E172 VanDerWaalsContact C-N 3.32Å; Y170-E172 PolarHBondContact O-N 3.03Å; E172-G174 VanDerWaalsContact C-N 3.32Å; E172-G174 PolarHBondContact O-N 3.12Å; E172-K175 WeakPolarHBondContact O-CB 3.34Å; E172-K175 PolarHBondContact O-N 3.16Å
173N96.3Very high96Very high47 Ų4759.8 Ų59.825%0.25128%0.282SS..Hα-helixtrans-58.8-42.9178.6-70.1-2.3000112.5Q53 E54 R169 Y170Q53-N173 PolarHBondContact NE2-ND2 2.74Å; Q53-N173 PolarHBondContact NE2-OD1 3.41Å; Q53-N173 VanDerWaalsContact NE2-OD1 3.09Å; E54-N173 PolarHBondContact OE1-ND2 3.49Å; E54-N173 VanDerWaalsContact OE1-ND2 3.14Å; R169-N173 WeakPolarHBondContact O-CB 3.35Å; R169-N173 PolarHBondContact O-N 2.86Å; R169-N173 PolarHBondContact O-OD1 2.81Å; Y170-N173 PolarHBondContact O-N 3.45Å
174G95.9Very high96Very high2 Ų260.2 Ų60.22%0.02128%0.284CS..THydrogen-bonded Turntrans-101.119.6-176.300000113.9W50 Y170 E172 E176 T177 L178W50-G174 VanDerWaalsContact CG-CA 3.49Å; Y170-G174 PolarHBondContact O-N 2.74Å; E172-G174 VanDerWaalsContact C-N 3.32Å; E172-G174 PolarHBondContact O-N 3.12Å; G174-E176 VanDerWaalsContact C-N 3.29Å; G174-E176 PolarHBondContact O-N 3.17Å; G174-E176 VanDerWaalsContact O-N 3.16Å; G174-T177 PolarHBondContact O-N 2.97Å; G174-L178 WeakPolarHBondContact O-CB 3.31Å; G174-L178 PolarHBondContact O-N 3.15Å
175K94.5Very high96Very high111 Ų11166.7 Ų66.748%0.48331%0.312SS..Hα-helixtrans-48.5-46.3-171.1-177.1173.9-175.7174.20114L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.23Å; L171-K175 WeakPolarHBondContact O-CA 3.32Å; L171-K175 WeakPolarHBondContact O-CB 3.36Å; L171-K175 PolarHBondContact O-N 3.36Å; E172-K175 WeakPolarHBondContact O-CB 3.34Å; E172-K175 PolarHBondContact O-N 3.16Å; K175-T177 PolarHBondContact O-N 3.03Å; K175-Q179 WeakPolarHBondContact O-CB 3.36Å; K175-Q179 PolarHBondContact O-N 3.1Å; K175-Q179 VanDerWaalsContact O-N 3.12Å
176E92.7Very high96Very high180 Ų18062.6 Ų62.684%0.84130%0.295SS*.Hα-helixtrans-65.4-25.3-179.6-63-175168.100113.7G174G174-E176 VanDerWaalsContact C-N 3.29Å; G174-E176 PolarHBondContact O-N 3.17Å; G174-E176 VanDerWaalsContact O-N 3.16Å
177T92.6Very high95.9Very high44 Ų4463.3 Ų63.327%0.2730%0.301SS..Hα-helixtrans-100.7-42.4-178.2-54.10000112.3G174 K175 R180G174-T177 PolarHBondContact O-N 2.97Å; K175-T177 PolarHBondContact O-N 3.03Å; T177-R180 WeakPolarHBondContact O-CD 3.45Å; T177-R180 VanDerWaalsContact O-CG 3.29Å; T177-R180 WeakPolarHBondContact O-CG 3.45Å
178L93.7Very high95.7Very high3 Ų365 Ų652%0.01631%0.31CS..Hα-helixtrans-85.4-28.7-172.1-63172.1000112.8V27 T30 W50 Y170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.26Å; V27-L178 HydrophobicContact CB-CD2 4.13Å; V27-L178 HydrophobicContact CG1-CD1 3.88Å; V27-L178 HydrophobicContact CG1-CD2 4.1Å; T30-L178 HydrophobicContact CG2-CD2 4.06Å; W50-L178 HydrophobicContact CD2-CD1 4.41Å; W50-L178 HydrophobicContact CH2-CD1 4.25Å; W50-L178 HydrophobicContact CZ2-CD1 3.8Å; W50-L178 HydrophobicContact CZ2-CD2 4.03Å; W50-L178 HydrophobicContact CZ2-CG 4.3Å; Y170-L178 WeakPolarHBondContact O-CD1 3.35Å; L171-L178 HydrophobicContact CD2-CB 3.79Å; L171-L178 HydrophobicContact CD2-CD1 4.02Å; G174-L178 WeakPolarHBondContact O-CB 3.31Å; G174-L178 PolarHBondContact O-N 3.15Å
179Q92.5Very high95.6Very high67 Ų6761.2 Ų61.231%0.31330%0.299SS..SBendtrans-104.114.3178.7-54-179.935.500112.1L171 K175L171-Q179 HydrophobicContact CD2-CG 4.38Å; L171-Q179 PolarHBondContact O-NE2 3.2Å; K175-Q179 WeakPolarHBondContact O-CB 3.36Å; K175-Q179 PolarHBondContact O-N 3.1Å; K175-Q179 VanDerWaalsContact O-N 3.12Å
180R94.6Very high95.5Very high78 Ų7858.4 Ų58.429%0.29429%0.291SS..  trans-77.9158.8171.480.5-171.6173.3-176.73.3110.2T177 D182 Y208 G238T177-R180 WeakPolarHBondContact O-CD 3.45Å; T177-R180 VanDerWaalsContact O-CG 3.29Å; T177-R180 WeakPolarHBondContact O-CG 3.45Å; R180-D182 IonicContact CZ-OD2 2.72Å; R180-D182 IonicContact NE-OD2 3.65Å; R180-D182 PolarHBondContact NE-OD2 3.38Å; R180-Y208 HydrophobicContact CG-CD1 3.81Å; R180-Y208 HydrophobicContact CG-CE1 4.27Å; R180-Y208 WeakPolarHBondContact O-CD1 3.37Å; R180-G238 PolarHBondContact NH2-O 2.81Å
181T95.5Very high95.3Very high60 Ų6062.4 Ų62.437%0.36831%0.31SS..  trans-138.1114.5171-34.90000108.8Y208 E263T181-Y208 WeakPolarHBondContact CA-O 3.27Å; T181-Y208 WeakPolarHBondContact CG2-O 3.42Å; T181-E263 HydrophobicContact CG2-CB 4.03Å; T181-E263 HydrophobicContact CG2-CG 4.12Å
182D96.8Very high95Very high55 Ų5566.1 Ų66.129%0.29434%0.341SS..BIsolated β-bridgetrans-103.4115.9-177.6-62-37.2000108.4R180 F207 Y208 H262R180-D182 IonicContact CZ-OD2 2.72Å; R180-D182 IonicContact NE-OD2 3.65Å; R180-D182 PolarHBondContact NE-OD2 3.38Å; D182-F207 VanDerWaalsContact O-CA 3.31Å; D182-F207 WeakPolarHBondContact O-CA 3.48Å; D182-F207 WeakPolarHBondContact O-CB 3Å; D182-Y208 PolarHBondContact N-O 3.12Å; D182-Y208 PolarHBondContact O-N 3.06Å; D182-H262 PolarHBondContact O-CE1 3.04Å
183A97.9Very high94.7Very high49 Ų4964.7 Ų64.741%0.40534%0.34SS..  trans-66140.5-18000000111.5K185 G264 L265A183-K185 PolarHBondContact O-N 3.48Å; A183-G264 WeakPolarHBondContact CB-O 3.43Å; A183-L265 HydrophobicContact CB-CD2 4Å
184P98.3Very high94.4Very high9 Ų965 Ų656%0.05835%0.346CS..  trans-64.8130.917927-34.8000112T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 4.09Å; P184-T186 HydrophobicContact CG-CG2 4.29Å; P184-T186 PolarHBondContact O-N 3.09Å; P184-A204 HydrophobicContact CB-CB 3.9Å; P184-F207 HydrophobicContact CB-CB 3.84Å; P184-F207 HydrophobicContact CB-CD1 3.98Å; P184-F207 HydrophobicContact CB-CG 4.16Å; P184-I212 HydrophobicContact CB-CD1 4.07Å; P184-I212 HydrophobicContact CG-CD1 4.11Å; P184-V260 HydrophobicContact CG-CG1 3.99Å; P184-H262 HydrophobicContact CG-CB 4.13Å; P184-L265 HydrophobicContact CG-CD1 3.87Å; P184-L265 HydrophobicContact CG-CD2 4.39Å; P184-L265 HydrophobicContact CG-CG 4.19Å
185K97.9Very high94Very high143 Ų14372.1 Ų72.162%0.62238%0.383SS*.EExtended strand (participates in β ladder)trans-76.3110.1164.6-65177.1-173.9168.80107.8A183 L205A183-K185 PolarHBondContact O-N 3.48Å; K185-L205 HydrophobicContact CB-CB 4.49Å; K185-L205 PolarHBondContact N-O 2.65Å; K185-L205 PolarHBondContact O-N 3.41Å
186T97.4Very high93.9Very high39 Ų3973.7 Ų73.724%0.23939%0.392CS..EExtended strand (participates in β ladder)trans-106.9144.5-174.6570000112.1P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 4.09Å; P184-T186 HydrophobicContact CG-CG2 4.29Å; P184-T186 PolarHBondContact O-N 3.09Å; T186-W203 WeakPolarHBondContact CA-O 3.39Å; T186-W203 WeakPolarHBondContact CB-O 3.43Å; T186-A204 HydrophobicContact CG2-CB 4.37Å; T186-V260 HydrophobicContact CG2-CG1 4.31Å; T186-V260 HydrophobicContact CG2-CG2 4.15Å; T186-L269 HydrophobicContact CG2-CD1 4.43Å; T186-L271 HydrophobicContact CG2-CD1 4.05Å
187H95.1Very high93.9Very high79 Ų7969.6 Ų69.637%0.36637%0.373SS..EExtended strand (participates in β ladder)trans-156.1163.917168.4-78.1000110.2W203H187-W203 AromaticContact CD2-CD1 3.91Å; H187-W203 WeakPolarHBondContact CE1-CB 3.37Å; H187-W203 AromaticContact CE1-CD1 3.76Å; H187-W203 AromaticContact CE1-CG 3.48Å; H187-W203 VanDerWaalsContact CE1-CG 3.48Å; H187-W203 PolarHBondContact N-O 3.3Å; H187-W203 AromaticContact NE2-CD1 3.38Å; H187-W203 AromaticContact NE2-CG 3.6Å; H187-W203 AromaticContact NE2-NE1 3.95Å; H187-W203 PolarHBondContact O-N 2.87Å
188M95.4Very high94Very high36 Ų3667.5 Ų67.518%0.17736%0.36CS..EExtended strand (participates in β ladder)trans-110.7144.3172.9-77.9-164.6-173.300111.7R201 W216 C258 L271 W273M188-R201 WeakPolarHBondContact CA-O 3.34Å; M188-W216 HydrophobicContact CE-CH2 3.48Å; M188-W216 VanDerWaalsContact CE-CH2 3.48Å; M188-W216 HydrophobicContact CE-CZ2 4.35Å; M188-W216 HydrophobicContact CE-CZ3 3.87Å; M188-W216 HydrophobicContact SD-CH2 3.88Å; M188-C258 HydrophobicContact CE-CB 3.59Å; M188-L271 HydrophobicContact CE-CB 3.54Å; M188-L271 WeakPolarHBondContact CE-O 3.39Å; M188-W273 WeakPolarHBondContact SD-CA 3.49Å; M188-W273 HydrophobicContact SD-CB 3.74Å; M188-W273 PolarHBondContact SD-N 3.42Å
189T94.7Very high94.1Very high33 Ų3368.4 Ų68.420%0.20237%0.366CS..EExtended strand (participates in β ladder)trans-118.7141.7168.850.60000109.1R201 W203T189-R201 PolarHBondContact N-O 3.26Å; T189-R201 PolarHBondContact O-N 2.91Å; T189-R201 WeakPolarHBondContact OG1-CB 2.88Å; T189-R201 PolarHBondContact OG1-O 3.2Å; T189-W203 PolarHBondContact OG1-NE1 3.28Å
190H94.3Very high94.3Very high66 Ų6665.2 Ų65.231%0.30635%0.351SS..EExtended strand (participates in β ladder)trans-119.7128.1177.5164.7-79.1000108.6A198 T199 L200 W273H190-A198 WeakPolarHBondContact NE2-CB 3.48Å; H190-T199 WeakPolarHBondContact CA-O 3.23Å; H190-L200 HydrophobicContact CB-CD2 4.01Å; H190-W273 HydrophobicContact CB-CZ2 4.23Å; H190-W273 VanDerWaalsContact CB-NE1 3.26Å; H190-W273 AromaticContact CG-NE1 3.97Å
191H92.8Very high94.5Very high85 Ų8564 Ų6439%0.39435%0.347SS..EExtended strand (participates in β ladder)trans-126.8113178.1-60.3-74000109.1V193 A198 T199 R201H191-V193 PolarHBondContact O-N 2.97Å; H191-A198 CarbonylContact O-C 3.59Å; H191-A198 VanDerWaalsContact O-CA 3.3Å; H191-A198 WeakPolarHBondContact O-CA 3.43Å; H191-T199 PolarHBondContact N-O 2.7Å; H191-T199 PolarHBondContact O-N 2.88Å; H191-R201 PolarHBondContact CD2-NH1 2.95Å; H191-R201 VanDerWaalsContact CD2-NH1 3.3Å; H191-R201 PolarHBondContact NE2-NH1 2.85Å
192A91.1Very high94.6Very high79 Ų7961.1 Ų61.165%0.65333%0.329SS*.EExtended strand (participates in β ladder)trans-65.7127.1172.300000109.3
193V88.4Confident94.7Very high93 Ų9360.8 Ų60.856%0.56432%0.323SS*.  trans-98.3-41.2176.8-179.90000109.6H191 E197 T199H191-V193 PolarHBondContact O-N 2.97Å; V193-E197 PolarHBondContact N-O 2.88Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.49Å
194S90.1Very high94.7Very high53 Ų5358.4 Ų58.437%0.37130%0.304SS..SBendtrans-149.5-178174.571.20000110.5H196 E197S194-H196 PolarHBondContact O-N 2.89Å; S194-H196 PolarHBondContact OG-N 2.7Å; S194-E197 PolarHBondContact N-O 3.37Å; S194-E197 VanDerWaalsContact O-O 3.08Å; S194-E197 PolarHBondContact OG-N 2.89Å
195D87.3Confident94.7Very high152 Ų15260.3 Ų60.381%0.81331%0.313SS*.SBendtrans-66.3-10172.6-64.9-23.1000113.4
196H91.8Very high94.7Very high144 Ų14455.5 Ų55.567%0.66730%0.298SS*.SBendtrans-116.1-14.6-176.2-56.7-42.3000113.4S194 P249 S250S194-H196 PolarHBondContact O-N 2.89Å; S194-H196 PolarHBondContact OG-N 2.7Å; H196-P249 CarbonylContact O-C 3.56Å; H196-P249 WeakPolarHBondContact O-CA 3.27Å; H196-S250 PolarHBondContact O-N 2.82Å; H196-S250 PolarHBondContact O-OG 3.16Å
197E94.3Very high94.7Very high94 Ų9453.6 Ų53.644%0.43929%0.286SS..EExtended strand (participates in β ladder)trans-143.6143.1-171.6-66.4-179.1171.700112.3V193 S194 V247 V248 S250V193-E197 PolarHBondContact N-O 2.88Å; S194-E197 PolarHBondContact N-O 3.37Å; S194-E197 VanDerWaalsContact O-O 3.08Å; S194-E197 PolarHBondContact OG-N 2.89Å; E197-V247 HydrophobicContact CB-CG1 4.19Å; E197-V247 HydrophobicContact CG-CG1 4.37Å; E197-V248 WeakPolarHBondContact CA-O 3.07Å; E197-S250 PolarHBondContact N-OG 2.84Å
198A94.4Very high94.8Very high1 Ų150 Ų501%0.00827%0.269CS..EExtended strand (participates in β ladder)trans-131.4155.3170.800000110.6H190 H191 V247 V248H190-A198 WeakPolarHBondContact NE2-CB 3.48Å; H191-A198 CarbonylContact O-C 3.59Å; H191-A198 VanDerWaalsContact O-CA 3.3Å; H191-A198 WeakPolarHBondContact O-CA 3.43Å; A198-V247 WeakPolarHBondContact O-CA 3.33Å; A198-V248 HydrophobicContact CB-CG2 4.31Å; A198-V248 PolarHBondContact N-O 2.72Å; A198-V248 WeakPolarHBondContact O-CG2 3.37Å; A198-V248 PolarHBondContact O-N 2.96Å
199T96.3Very high94.8Very high22 Ų2249.3 Ų49.314%0.13527%0.268CS..EExtended strand (participates in β ladder)trans-98.3121.8167.9-54.60000109H190 H191 V193 A245 V246H190-T199 WeakPolarHBondContact CA-O 3.23Å; H191-T199 PolarHBondContact N-O 2.7Å; H191-T199 PolarHBondContact O-N 2.88Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.49Å; T199-A245 HydrophobicContact CG2-CB 3.92Å; T199-V246 WeakPolarHBondContact CA-O 3.49Å
200L96.9Very high94.9Very high0 Ų048.5 Ų48.50%026%0.264CS..EExtended strand (participates in β ladder)trans-93.9128.4165.1-64.4-178000108.7H190 W216 A245 V246 V248 E253 W273H190-L200 HydrophobicContact CB-CD2 4.01Å; L200-W216 HydrophobicContact CB-CH2 3.67Å; L200-W216 HydrophobicContact CB-CZ2 3.95Å; L200-W216 HydrophobicContact CB-CZ3 4.49Å; L200-W216 HydrophobicContact CD1-CH2 4.14Å; L200-W216 HydrophobicContact CD1-CZ3 4.31Å; L200-A245 CarbonylContact O-C 3.45Å; L200-A245 WeakPolarHBondContact O-CA 3.21Å; L200-V246 HydrophobicContact CB-CG1 4.33Å; L200-V246 PolarHBondContact N-O 3.36Å; L200-V246 PolarHBondContact O-N 2.93Å; L200-V248 HydrophobicContact CD1-CG1 4Å; L200-V248 HydrophobicContact CD1-CG2 4.04Å; L200-V248 HydrophobicContact CG-CG1 4.19Å; L200-V248 HydrophobicContact CG-CG2 3.85Å; L200-E253 HydrophobicContact CD1-CB 4.04Å; L200-E253 HydrophobicContact CD1-CG 4.41Å; L200-E253 HydrophobicContact CD2-CG 4.31Å; L200-W273 HydrophobicContact CD1-CB 4.22Å; L200-W273 HydrophobicContact CD2-CB 3.95Å; L200-W273 HydrophobicContact CD2-CD2 4.33Å; L200-W273 HydrophobicContact CD2-CG 3.78Å
201R97.5Very high95.1Very high52 Ų5252.4 Ų52.420%0.19628%0.282CS..EExtended strand (participates in β ladder)trans-123.9122.9175.4-179.7-175.1-57.4112.7-0.6110.4M188 T189 H191 W203 W243 A244 A245M188-R201 WeakPolarHBondContact CA-O 3.34Å; T189-R201 PolarHBondContact N-O 3.26Å; T189-R201 PolarHBondContact O-N 2.91Å; T189-R201 WeakPolarHBondContact OG1-CB 2.88Å; T189-R201 PolarHBondContact OG1-O 3.2Å; H191-R201 PolarHBondContact CD2-NH1 2.95Å; H191-R201 VanDerWaalsContact CD2-NH1 3.3Å; H191-R201 PolarHBondContact NE2-NH1 2.85Å; R201-W203 HydrophobicContact CG-CZ2 4.42Å; R201-W243 HydrophobicContact CG-CB 4.03Å; R201-W243 HydrophobicContact CG-CD2 4.14Å; R201-W243 HydrophobicContact CG-CE3 3.86Å; R201-W243 HydrophobicContact CG-CG 4.26Å; R201-A244 WeakPolarHBondContact CA-O 3.34Å; R201-A245 HydrophobicContact CB-CB 3.93Å; R201-A245 HydrophobicContact CG-CB 4.08Å
202C97.8Very high95.3Very high0 Ų048.8 Ų48.80%027%0.266CS..EExtended strand (participates in β ladder)trans-95.3122.3176.8-176.90000109.3W216 W243 A244 C258C202-W216 HydrophobicContact CB-CH2 4.47Å; C202-W216 HydrophobicContact CB-CZ2 3.67Å; C202-W243 CarbonylContact O-C 3.59Å; C202-W243 WeakPolarHBondContact O-CA 3.4Å; C202-W243 VanDerWaalsContact O-CB 3.23Å; C202-W243 WeakPolarHBondContact O-CB 3.47Å; C202-A244 PolarHBondContact N-O 3.43Å; C202-A244 PolarHBondContact O-N 2.99Å; C202-C258 HydrophobicContact CB-CB 3.51Å; C202-C258 WeakPolarHBondContact CB-SG 3.46Å; C202-C258 WeakPolarHBondContact SG-CB 3.37Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.35Å
203W98.2Very high95.7Very high47 Ų4747.9 Ų47.918%0.17825%0.252CS..EExtended strand (participates in β ladder)trans-105.9141-179.4-68.689.3000110.7T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.39Å; T186-W203 WeakPolarHBondContact CB-O 3.43Å; H187-W203 AromaticContact CD2-CD1 3.91Å; H187-W203 WeakPolarHBondContact CE1-CB 3.37Å; H187-W203 AromaticContact CE1-CD1 3.76Å; H187-W203 AromaticContact CE1-CG 3.48Å; H187-W203 VanDerWaalsContact CE1-CG 3.48Å; H187-W203 PolarHBondContact N-O 3.3Å; H187-W203 AromaticContact NE2-CD1 3.38Å; H187-W203 AromaticContact NE2-CG 3.6Å; H187-W203 AromaticContact NE2-NE1 3.95Å; H187-W203 PolarHBondContact O-N 2.87Å; T189-W203 PolarHBondContact OG1-NE1 3.28Å; R201-W203 HydrophobicContact CG-CZ2 4.42Å; W203-L205 HydrophobicContact CE3-CD2 3.95Å; W203-W243 HydrophobicContact CD2-CB 3.91Å; W203-W243 HydrophobicContact CD2-CG 4.42Å; W203-W243 HydrophobicContact CE3-CB 3.81Å; W203-W243 AromaticContact CE3-CD1 3.82Å; W203-W243 HydrophobicContact CE3-CG 4.1Å; W203-W243 HydrophobicContact CG-CB 4.35Å; W203-W243 AromaticContact CH2-CD1 3.63Å; W203-W243 HydrophobicContact CH2-CG 4.21Å; W203-W243 HydrophobicContact CZ3-CB 4.23Å; W203-W243 AromaticContact CZ3-CD1 3.35Å; W203-W243 HydrophobicContact CZ3-CG 4.01Å
204A98.4Very high96.1Very high0 Ų043.7 Ų43.70%023%0.227CC..EExtended strand (participates in β ladder)trans-123.9120.9163.300000107.8P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.9Å; T186-A204 HydrophobicContact CG2-CB 4.37Å; A204-F207 HydrophobicContact CB-CD1 4.12Å; A204-F207 HydrophobicContact CB-CE1 3.91Å; A204-F207 WeakPolarHBondContact O-CE1 3.48Å; A204-I212 HydrophobicContact CB-CD1 3.71Å; A204-L214 HydrophobicContact CB-CD1 4.11Å; A204-L214 HydrophobicContact CB-CD2 4.26Å; A204-Q241 CarbonylContact O-C 3.53Å; A204-Q241 VanDerWaalsContact O-CA 3.28Å; A204-Q241 WeakPolarHBondContact O-CA 3.4Å; A204-K242 PolarHBondContact N-O 3.1Å; A204-K242 PolarHBondContact O-N 3.43Å; A204-K242 VanDerWaalsContact O-O 3.08Å
205L98.3Very high96.4Very high48 Ų4843.1 Ų43.125%0.25122%0.221SC..EExtended strand (participates in β ladder)trans-127.2155.5-175.3-59.1179.3000111.2K185 W203 F207 Q241K185-L205 HydrophobicContact CB-CB 4.49Å; K185-L205 PolarHBondContact N-O 2.65Å; K185-L205 PolarHBondContact O-N 3.41Å; W203-L205 HydrophobicContact CE3-CD2 3.95Å; L205-F207 VanDerWaalsContact C-N 3.32Å; L205-F207 PolarHBondContact O-N 3.3Å; L205-Q241 HydrophobicContact CD2-CB 3.56Å
206S97.6Very high96.9Very high42 Ų4236 Ų3629%0.29418%0.183SC..EExtended strand (participates in β ladder)trans54.143.4171.1-55.50000113.9F240S206-F240 PolarHBondContact N-O 3.01Å
207F97.9Very high97.2Very high0 Ų031.1 Ų31.10%016%0.161CC..EExtended strand (participates in β ladder)trans-109158.317761.3-90.4000112.5D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262D182-F207 VanDerWaalsContact O-CA 3.31Å; D182-F207 WeakPolarHBondContact O-CA 3.48Å; D182-F207 WeakPolarHBondContact O-CB 3Å; P184-F207 HydrophobicContact CB-CB 3.84Å; P184-F207 HydrophobicContact CB-CD1 3.98Å; P184-F207 HydrophobicContact CB-CG 4.16Å; A204-F207 HydrophobicContact CB-CD1 4.12Å; A204-F207 HydrophobicContact CB-CE1 3.91Å; A204-F207 WeakPolarHBondContact O-CE1 3.48Å; L205-F207 VanDerWaalsContact C-N 3.32Å; L205-F207 PolarHBondContact O-N 3.3Å; F207-P209 VanDerWaalsContact CD2-O 3.26Å; F207-P209 WeakPolarHBondContact CD2-O 3.26Å; F207-I212 HydrophobicContact CD1-CD1 3.96Å; F207-I212 HydrophobicContact CD2-CB 4.32Å; F207-I212 HydrophobicContact CD2-CD1 4.02Å; F207-I212 HydrophobicContact CE1-CD1 3.85Å; F207-I212 HydrophobicContact CE1-CG2 4.4Å; F207-I212 HydrophobicContact CE2-CB 3.74Å; F207-I212 HydrophobicContact CE2-CD1 3.94Å; F207-I212 HydrophobicContact CE2-CG1 4.42Å; F207-I212 HydrophobicContact CE2-CG2 3.58Å; F207-I212 HydrophobicContact CG-CD1 4.06Å; F207-I212 HydrophobicContact CZ-CB 4.09Å; F207-I212 HydrophobicContact CZ-CD1 3.87Å; F207-I212 HydrophobicContact CZ-CG2 3.49Å; F207-I212 VanDerWaalsContact CZ-CG2 3.49Å; F207-T232 HydrophobicContact CE2-CG2 4.1Å; F207-T232 HydrophobicContact CZ-CG2 3.83Å; F207-T239 CarbonylContact O-C 3.59Å; F207-T239 WeakPolarHBondContact O-CA 3.15Å; F207-F240 VanDerWaalsContact CD1-O 3.28Å; F207-F240 WeakPolarHBondContact CD1-O 3.23Å; F207-F240 HydrophobicContact CD2-CB 3.96Å; F207-F240 HydrophobicContact CE1-CB 4.21Å; F207-F240 WeakPolarHBondContact CE1-O 3.46Å; F207-F240 HydrophobicContact CE2-CB 3.49Å; F207-F240 VanDerWaalsContact CE2-CB 3.49Å; F207-F240 HydrophobicContact CE2-CG 4.47Å; F207-F240 HydrophobicContact CG-CB 4.46Å; F207-F240 HydrophobicContact CZ-CB 3.61Å; F207-F240 PolarHBondContact N-O 3.44Å; F207-F240 PolarHBondContact O-N 3.19Å; F207-K242 HydrophobicContact CE1-CB 4.36Å; F207-K242 HydrophobicContact CZ-CB 4.16Å; F207-H262 AromaticContact CD2-CD2 3.79Å; F207-H262 AromaticContact CD2-NE2 3.58Å
208Y97.1Very high97.3Very high3 Ų330.5 Ų30.51%0.01215%0.154CC..BIsolated β-bridgetrans-152.1135.8173.8-178.9-85.8000109D29 T30 R180 T181 D182 G238 F240 H262D29-Y208 HydrophobicContact CB-CE2 4.42Å; T30-Y208 PolarHBondContact OG1-OH 3.43Å; R180-Y208 HydrophobicContact CG-CD1 3.81Å; R180-Y208 HydrophobicContact CG-CE1 4.27Å; R180-Y208 WeakPolarHBondContact O-CD1 3.37Å; T181-Y208 WeakPolarHBondContact CA-O 3.27Å; T181-Y208 WeakPolarHBondContact CG2-O 3.42Å; D182-Y208 PolarHBondContact N-O 3.12Å; D182-Y208 PolarHBondContact O-N 3.06Å; Y208-G238 WeakPolarHBondContact CD2-O 3.28Å; Y208-F240 HydrophobicContact CD2-CD2 4.36Å; Y208-F240 AromaticContact CD2-CE2 3.91Å; Y208-F240 HydrophobicContact CD2-CE2 3.91Å; Y208-F240 HydrophobicContact CE2-CE2 4.3Å; Y208-H262 PolarHBondContact O-CE1 3.15Å
209P96.3Very high97.3Very high22 Ų2235.1 Ų35.114%0.14318%0.179CC..SBendcis-74.9-175.9532.1-37.5000114.2D29 F207 E211 H262D29-P209 WeakPolarHBondContact OD2-CB 3.32Å; F207-P209 VanDerWaalsContact CD2-O 3.26Å; F207-P209 WeakPolarHBondContact CD2-O 3.26Å; P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 2.98Å; P209-H262 PolarHBondContact O-NE2 2.88Å
210A97.3Very high97.1Very high15 Ų1536.4 Ų36.412%0.12420%0.196CC..SBendtrans-71.7-23.6-177.200000113.8D29 I212 T232 F240D29-A210 HydrophobicContact CB-CB 4.13Å; D29-A210 VanDerWaalsContact CG-CB 3.47Å; D29-A210 WeakPolarHBondContact OD2-CB 3.34Å; D29-A210 PolarHBondContact OD2-N 3.16Å; A210-I212 PolarHBondContact O-N 3.24Å; A210-T232 HydrophobicContact CB-CG2 4.29Å; A210-T232 WeakPolarHBondContact O-CG2 3.24Å; A210-F240 HydrophobicContact CB-CD1 3.72Å; A210-F240 HydrophobicContact CB-CD2 3.77Å; A210-F240 HydrophobicContact CB-CE1 3.69Å; A210-F240 HydrophobicContact CB-CE2 3.74Å; A210-F240 HydrophobicContact CB-CG 3.79Å; A210-F240 HydrophobicContact CB-CZ 3.73Å
211E97.1Very high97.1Very high148 Ų14842.7 Ų42.769%0.69223%0.226SC*.  trans-67.3114.1-179.1-171.561.5-154.500110.6P209 H262P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 2.98Å; E211-H262 PolarHBondContact O-CD2 3.23Å; E211-H262 VanDerWaalsContact O-CD2 3.27Å
212I98Very high97Very high10 Ų1045 Ų455%0.05124%0.242CC..  trans-150.8143.4-179.5-164.1171000109.8P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 4.07Å; P184-I212 HydrophobicContact CG-CD1 4.11Å; A204-I212 HydrophobicContact CB-CD1 3.71Å; F207-I212 HydrophobicContact CD1-CD1 3.96Å; F207-I212 HydrophobicContact CD2-CB 4.32Å; F207-I212 HydrophobicContact CD2-CD1 4.02Å; F207-I212 HydrophobicContact CE1-CD1 3.85Å; F207-I212 HydrophobicContact CE1-CG2 4.4Å; F207-I212 HydrophobicContact CE2-CB 3.74Å; F207-I212 HydrophobicContact CE2-CD1 3.94Å; F207-I212 HydrophobicContact CE2-CG1 4.42Å; F207-I212 HydrophobicContact CE2-CG2 3.58Å; F207-I212 HydrophobicContact CG-CD1 4.06Å; F207-I212 HydrophobicContact CZ-CB 4.09Å; F207-I212 HydrophobicContact CZ-CD1 3.87Å; F207-I212 HydrophobicContact CZ-CG2 3.49Å; F207-I212 VanDerWaalsContact CZ-CG2 3.49Å; A210-I212 PolarHBondContact O-N 3.24Å; I212-L214 HydrophobicContact CD1-CD1 3.72Å; I212-L214 HydrophobicContact CG1-CD1 3.67Å; I212-L214 HydrophobicContact CG2-CD1 4.14Å; I212-K242 HydrophobicContact CG2-CB 4.21Å; I212-K242 HydrophobicContact CG2-CD 3.55Å; I212-V260 HydrophobicContact CD1-CG1 3.95Å; I212-V260 HydrophobicContact CG1-CG1 4.3Å; I212-Q261 VanDerWaalsContact CG1-O 3.3Å; I212-Q261 WeakPolarHBondContact CG1-O 3.48Å; I212-H262 HydrophobicContact CD1-CB 4.25Å; I212-H262 HydrophobicContact CG1-CB 4.03Å
213T97.9Very high96.8Very high59 Ų5945.6 Ų45.636%0.36225%0.245SC..EExtended strand (participates in β ladder)trans-115.3122.4176.1-58.30000109.9T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 4.04Å; T213-V260 WeakPolarHBondContact O-CA 3.46Å; T213-Q261 PolarHBondContact N-O 3.36Å; T213-Q261 PolarHBondContact O-N 2.83Å
214L97.9Very high96.3Very high6 Ų648.5 Ų48.53%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-116.7122.6172.7-86.661.1000108.4A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 4.11Å; A204-L214 HydrophobicContact CB-CD2 4.26Å; I212-L214 HydrophobicContact CD1-CD1 3.72Å; I212-L214 HydrophobicContact CG1-CD1 3.67Å; I212-L214 HydrophobicContact CG2-CD1 4.14Å; L214-L229 HydrophobicContact CB-CD1 4.1Å; L214-K242 HydrophobicContact CD1-CD 4.23Å; L214-K242 HydrophobicContact CD2-CB 4.34Å; L214-K242 HydrophobicContact CD2-CD 4.47Å; L214-K242 HydrophobicContact CD2-CG 4.36Å; L214-A244 HydrophobicContact CB-CB 4.05Å; L214-A244 HydrophobicContact CD2-CB 4.26Å; L214-H259 WeakPolarHBondContact CA-O 3.39Å; L214-V260 HydrophobicContact CD1-CG1 4.05Å; L214-V260 HydrophobicContact CD1-CG2 4.5Å; L214-V260 HydrophobicContact CG-CG2 4.31Å
215T97.3Very high95.8Very high41 Ų4157.8 Ų57.825%0.25231%0.311SS..EExtended strand (participates in β ladder)trans-131.4149.4175.558.80000111.5T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 4.04Å; T215-C258 CarbonylContact O-C 3.53Å; T215-C258 WeakPolarHBondContact O-CA 3.45Å; T215-H259 PolarHBondContact N-O 3.15Å; T215-H259 PolarHBondContact O-N 2.92Å
216W97.7Very high95.3Very high2 Ų260.9 Ų60.91%0.00833%0.328CS..EExtended strand (participates in β ladder)trans-104.5137.6170.5-82102.6000110.2M188 L200 C202 Q223 A244 V246 T257 C258M188-W216 HydrophobicContact CE-CH2 3.48Å; M188-W216 VanDerWaalsContact CE-CH2 3.48Å; M188-W216 HydrophobicContact CE-CZ2 4.35Å; M188-W216 HydrophobicContact CE-CZ3 3.87Å; M188-W216 HydrophobicContact SD-CH2 3.88Å; L200-W216 HydrophobicContact CB-CH2 3.67Å; L200-W216 HydrophobicContact CB-CZ2 3.95Å; L200-W216 HydrophobicContact CB-CZ3 4.49Å; L200-W216 HydrophobicContact CD1-CH2 4.14Å; L200-W216 HydrophobicContact CD1-CZ3 4.31Å; C202-W216 HydrophobicContact CB-CH2 4.47Å; C202-W216 HydrophobicContact CB-CZ2 3.67Å; W216-Q223 HydrophobicContact CB-CB 4.21Å; W216-Q223 PolarHBondContact O-N 3.04Å; W216-A244 VanDerWaalsContact NE1-C 3.35Å; W216-A244 PolarHBondContact NE1-O 2.94Å; W216-V246 HydrophobicContact CD2-CB 4.36Å; W216-V246 HydrophobicContact CD2-CG1 3.59Å; W216-V246 HydrophobicContact CE3-CG1 3.88Å; W216-V246 HydrophobicContact CG-CB 4.18Å; W216-V246 HydrophobicContact CG-CG1 3.92Å; W216-V246 HydrophobicContact CH2-CG1 4.4Å; W216-V246 HydrophobicContact CZ2-CG1 4.15Å; W216-V246 HydrophobicContact CZ3-CG1 4.28Å; W216-T257 WeakPolarHBondContact CA-O 3.48Å; W216-T257 VanDerWaalsContact CE3-C 3.46Å; W216-C258 HydrophobicContact CD2-CB 4.22Å; W216-C258 HydrophobicContact CE3-CB 4.17Å; W216-C258 HydrophobicContact CH2-CB 4.06Å; W216-C258 HydrophobicContact CZ2-CB 4.1Å; W216-C258 HydrophobicContact CZ3-CB 4.09Å
217Q97.5Very high95.1Very high42 Ų4260 Ų6020%0.19632%0.321CS..EExtended strand (participates in β ladder)trans-123.4147.3171-68.6-172.6-1100110.4E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.51Å; Q217-E221 VanDerWaalsContact CA-O 3.24Å; Q217-E221 WeakPolarHBondContact CA-O 3.43Å; Q217-D222 VanDerWaalsContact CG-OD1 3.28Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.46Å; Q217-D222 PolarHBondContact NE2-OD1 3.37Å; Q217-Y256 CarbonylContact O-C 3.54Å; Q217-Y256 VanDerWaalsContact O-CA 3.28Å; Q217-Y256 WeakPolarHBondContact O-CA 3.44Å; Q217-T257 PolarHBondContact N-O 3.31Å; Q217-T257 PolarHBondContact O-N 3.16Å; Q217-H259 PolarHBondContact OE1-NE2 3.35Å
218R96.7Very high95Very high81 Ų8165.5 Ų65.531%0.30635%0.346SS..EExtended strand (participates in β ladder)trans-118.4116.3168.2-178.2-179.167.5-163.6-5108.4G220 E221 Q223 R255 Y256R218-G220 PolarHBondContact O-N 3.08Å; R218-E221 PolarHBondContact N-O 2.83Å; R218-E221 PolarHBondContact O-N 2.86Å; R218-Q223 HydrophobicContact CB-CG 3.97Å; R218-R255 WeakPolarHBondContact CA-O 3.23Å; R218-R255 HydrophobicContact CG-CB 4.33Å; R218-Y256 HydrophobicContact CB-CD1 4.15Å; R218-Y256 HydrophobicContact CB-CE1 3.99Å; R218-Y256 WeakPolarHBondContact CD-OH 3.36Å; R218-Y256 HydrophobicContact CG-CD2 4.46Å; R218-Y256 HydrophobicContact CG-CE1 4.24Å; R218-Y256 HydrophobicContact CG-CE2 4.12Å
219D94.4Very high95Very high98 Ų9869.6 Ų69.652%0.52437%0.368SS..THydrogen-bonded Turntrans49.730.8-175-52.9-48.9000114.1R255D219-R255 PolarHBondContact N-O 3.32Å; D219-R255 WeakPolarHBondContact OD1-CB 3.43Å; D219-R255 IonicContact OD1-NE 3.48Å; D219-R255 PolarHBondContact OD1-NE 3.01Å; D219-R255 IonicContact OD2-CZ 3.08Å; D219-R255 IonicContact OD2-NE 2.78Å; D219-R255 PolarHBondContact OD2-NE 3.33Å; D219-R255 IonicContact OD2-NH2 2.62Å; D219-R255 PolarHBondContact OD2-NH2 3.39Å
220G91.9Very high95Very high49 Ų4970.1 Ų70.151%0.50537%0.371SS..THydrogen-bonded Turntrans92-3.2-178.100000115.6R218R218-G220 PolarHBondContact O-N 3.08Å
221E95.4Very high95Very high132 Ų13277.6 Ų77.662%0.61740%0.403SS*.EExtended strand (participates in β ladder)trans-95.8128.4176-63.6-175.2166.100111.8Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.51Å; Q217-E221 VanDerWaalsContact CA-O 3.24Å; Q217-E221 WeakPolarHBondContact CA-O 3.43Å; R218-E221 PolarHBondContact N-O 2.83Å; R218-E221 PolarHBondContact O-N 2.86Å; E221-Q223 PolarHBondContact O-NE2 2.82Å
222D95.5Very high95Very high99 Ų9972.7 Ų72.753%0.52938%0.384SS..EExtended strand (participates in β ladder)trans-62.2136.3-179.8-69.4-26.1000112.6Q217Q217-D222 VanDerWaalsContact CG-OD1 3.28Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.46Å; Q217-D222 PolarHBondContact NE2-OD1 3.37Å
223Q95Very high95Very high13 Ų1376.7 Ų76.76%0.06140%0.398CS..  trans-109.537.3-177.4-57.6-60.1-7300112.4W216 R218 E221 Q225 D226 T227 Y256W216-Q223 HydrophobicContact CB-CB 4.21Å; W216-Q223 PolarHBondContact O-N 3.04Å; R218-Q223 HydrophobicContact CB-CG 3.97Å; E221-Q223 PolarHBondContact O-NE2 2.82Å; Q223-Q225 VanDerWaalsContact C-N 3.32Å; Q223-Q225 PolarHBondContact O-N 3.17Å; Q223-D226 PolarHBondContact O-N 3.14Å; Q223-T227 WeakPolarHBondContact O-CB 3.2Å; Q223-T227 PolarHBondContact O-N 3.44Å; Q223-T227 VanDerWaalsContact O-N 3.15Å; Q223-T227 PolarHBondContact O-OG1 3.32Å; Q223-Y256 HydrophobicContact CG-CE1 4.36Å
224T87.8Confident94.9Very high108 Ų10878.2 Ų78.266%0.66341%0.409SS*.THydrogen-bonded Turntrans-59.2-36.3-169.2-44.90000114.1
225Q88Confident94.8Very high195 Ų19580.3 Ų80.391%0.91143%0.427SS*.THydrogen-bonded Turntrans-75-31.2-178.2-66.7-174.1500113.1Q223 T227Q223-Q225 VanDerWaalsContact C-N 3.32Å; Q223-Q225 PolarHBondContact O-N 3.17Å; Q225-T227 VanDerWaalsContact C-N 3.34Å
226D86.1Confident94.7Very high114 Ų11482 Ų8261%0.6145%0.453SS*.THydrogen-bonded Turntrans-93.81.6-178.1-57.1-47000112.4Q223Q223-D226 PolarHBondContact O-N 3.14Å
227T93.8Very high94.4Very high24 Ų2487 Ų8715%0.14748%0.48CS..EExtended strand (participates in β ladder)trans-95.3121.1-179.3-64.30000110.7Q223 Q225 L229 A244 A245Q223-T227 WeakPolarHBondContact O-CB 3.2Å; Q223-T227 PolarHBondContact O-N 3.44Å; Q223-T227 VanDerWaalsContact O-N 3.15Å; Q223-T227 PolarHBondContact O-OG1 3.32Å; Q225-T227 VanDerWaalsContact C-N 3.34Å; T227-L229 HydrophobicContact CG2-CB 4.34Å; T227-L229 PolarHBondContact O-N 3.42Å; T227-A244 HydrophobicContact CG2-CB 3.99Å; T227-A245 CarbonylContact C-O 3.5Å; T227-A245 VanDerWaalsContact CA-O 3.31Å; T227-A245 WeakPolarHBondContact CA-O 3.41Å
228E96.2Very high94.1Very high114 Ų11486.9 Ų86.953%0.53349%0.49SS..EExtended strand (participates in β ladder)trans-77.7105.5163.3-172.5-174.5-171.800108.9W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.22Å; E228-W243 HydrophobicContact CG-CH2 3.87Å; E228-W243 HydrophobicContact CG-CZ3 3.83Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.49Å; E228-A244 CarbonylContact O-C 3.52Å; E228-A244 WeakPolarHBondContact O-CA 3.28Å; E228-A245 HydrophobicContact CB-CB 4.38Å; E228-A245 PolarHBondContact N-O 2.91Å; E228-A245 PolarHBondContact O-N 3.43Å
229L96.6Very high94.1Very high90 Ų9083.6 Ų83.647%0.47148%0.479SS..EExtended strand (participates in β ladder)trans-111.1122178.6-175.168.5000110L214 T227 A244L214-L229 HydrophobicContact CB-CD1 4.1Å; T227-L229 HydrophobicContact CG2-CB 4.34Å; T227-L229 PolarHBondContact O-N 3.42Å; L229-A244 HydrophobicContact CD1-CB 3.64Å
230V96.8Very high94.3Very high33 Ų3380.1 Ų80.120%0.246%0.459CS..PPolyproline II helixtrans-86.1152.4173.6-65.90000112.3K242 W243V230-K242 HydrophobicContact CG2-CG 4.42Å; V230-K242 VanDerWaalsContact O-CE 3.29Å; V230-K242 WeakPolarHBondContact O-CE 3.5Å; V230-K242 WeakPolarHBondContact O-CG 3.49Å; V230-K242 PolarHBondContact O-NZ 3.31Å; V230-W243 HydrophobicContact CB-CZ2 4.38Å; V230-W243 HydrophobicContact CG1-CD2 4.01Å; V230-W243 HydrophobicContact CG1-CE3 4.35Å; V230-W243 HydrophobicContact CG1-CH2 3.6Å; V230-W243 HydrophobicContact CG1-CZ2 3.17Å; V230-W243 HydrophobicContact CG1-CZ3 4.15Å; V230-W243 HydrophobicContact CG2-CD2 3.73Å; V230-W243 HydrophobicContact CG2-CE3 4.47Å; V230-W243 HydrophobicContact CG2-CG 3.71Å; V230-W243 HydrophobicContact CG2-CZ2 4.36Å; V230-W243 WeakPolarHBondContact CG2-O 3.35Å; V230-W243 PolarHBondContact N-O 3.34Å
231E96.8Very high94.6Very high171 Ų17179.8 Ų79.880%0.79945%0.445SS*.PPolyproline II helixtrans-57.9150.1167-67.6-173166.300111.1R233E231-R233 PolarHBondContact O-N 3.37Å
232T97.9Very high94.8Very high46 Ų4674.6 Ų74.628%0.28242%0.42SS..PPolyproline II helixtrans-68.4130.1174.8-55.80000108.6F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.1Å; F207-T232 HydrophobicContact CZ-CG2 3.83Å; A210-T232 HydrophobicContact CB-CG2 4.29Å; A210-T232 WeakPolarHBondContact O-CG2 3.24Å; T232-F240 HydrophobicContact CG2-CB 3.77Å; T232-F240 HydrophobicContact CG2-CD1 3.93Å; T232-F240 HydrophobicContact CG2-CG 4.11Å; T232-K242 WeakPolarHBondContact OG1-CD 3.11Å; T232-K242 PolarHBondContact OG1-NZ 2.89Å
233R97.1Very high94.9Very high93 Ų9371 Ų7135%0.35140%0.399SS..EExtended strand (participates in β ladder)trans-125.5145.1-17568.5-167.5-179-168.63.3111.4E231 F240 Q241E231-R233 PolarHBondContact O-N 3.37Å; R233-F240 WeakPolarHBondContact O-CA 3.29Å; R233-Q241 HydrophobicContact CG-CG 3.57Å; R233-Q241 PolarHBondContact N-O 2.95Å; R233-Q241 VanDerWaalsContact NE-OE1 3.17Å; R233-Q241 WeakPolarHBondContact O-CG 3.05Å; R233-Q241 PolarHBondContact O-N 2.93Å
234P97.1Very high95Very high92 Ų9270.3 Ų70.360%0.59740%0.396SS*.EExtended strand (participates in β ladder)trans-68.3144.9177.428.5-34.4000111.1F240P234-F240 HydrophobicContact CB-CE1 4.3Å
235A96.4Very high95.5Very high50 Ų5065.3 Ų65.341%0.41337%0.366SS..  trans-88.3-16.7173.100000113T239A235-T239 PolarHBondContact N-O 3.26Å
236G93.1Very high95.9Very high77 Ų7756.2 Ų56.279%0.79432%0.323SS*.SBendtrans97.3-9178.700000114.9
237D92.4Very high96.4Very high105 Ų10554.3 Ų54.356%0.56132%0.316SS*.SBendtrans-104.613.7176.962.1-1.9000112.9T239D237-T239 WeakPolarHBondContact OD1-CB 3.17Å; D237-T239 PolarHBondContact OD1-N 2.98Å; D237-T239 PolarHBondContact OD1-OG1 2.99Å
238G91.8Very high96.5Very high40 Ų4053.2 Ų53.241%0.41231%0.309SS..SBendtrans84.26.2-173.800000114.4R180 Y208R180-G238 PolarHBondContact NH2-O 2.81Å; Y208-G238 WeakPolarHBondContact CD2-O 3.28Å
239T96.8Very high96.4Very high13 Ų1350 Ų508%0.0830%0.298CS..  trans-108.7172.6171.273.40000112.1F207 A235 D237F207-T239 CarbonylContact O-C 3.59Å; F207-T239 WeakPolarHBondContact O-CA 3.15Å; A235-T239 PolarHBondContact N-O 3.26Å; D237-T239 WeakPolarHBondContact OD1-CB 3.17Å; D237-T239 PolarHBondContact OD1-N 2.98Å; D237-T239 PolarHBondContact OD1-OG1 2.99Å
240F98.1Very high96.1Very high24 Ų2448.4 Ų48.411%0.10529%0.294CS..EExtended strand (participates in β ladder)trans-120.3162.8-177.8-63.6-84.9000112.4D29 S206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.8Å; D29-F240 HydrophobicContact CB-CZ 3.56Å; S206-F240 PolarHBondContact N-O 3.01Å; F207-F240 VanDerWaalsContact CD1-O 3.28Å; F207-F240 WeakPolarHBondContact CD1-O 3.23Å; F207-F240 HydrophobicContact CD2-CB 3.96Å; F207-F240 HydrophobicContact CE1-CB 4.21Å; F207-F240 WeakPolarHBondContact CE1-O 3.46Å; F207-F240 HydrophobicContact CE2-CB 3.49Å; F207-F240 VanDerWaalsContact CE2-CB 3.49Å; F207-F240 HydrophobicContact CE2-CG 4.47Å; F207-F240 HydrophobicContact CG-CB 4.46Å; F207-F240 HydrophobicContact CZ-CB 3.61Å; F207-F240 PolarHBondContact N-O 3.44Å; F207-F240 PolarHBondContact O-N 3.19Å; Y208-F240 HydrophobicContact CD2-CD2 4.36Å; Y208-F240 AromaticContact CD2-CE2 3.91Å; Y208-F240 HydrophobicContact CD2-CE2 3.91Å; Y208-F240 HydrophobicContact CE2-CE2 4.3Å; A210-F240 HydrophobicContact CB-CD1 3.72Å; A210-F240 HydrophobicContact CB-CD2 3.77Å; A210-F240 HydrophobicContact CB-CE1 3.69Å; A210-F240 HydrophobicContact CB-CE2 3.74Å; A210-F240 HydrophobicContact CB-CG 3.79Å; A210-F240 HydrophobicContact CB-CZ 3.73Å; T232-F240 HydrophobicContact CG2-CB 3.77Å; T232-F240 HydrophobicContact CG2-CD1 3.93Å; T232-F240 HydrophobicContact CG2-CG 4.11Å; R233-F240 WeakPolarHBondContact O-CA 3.29Å; P234-F240 HydrophobicContact CB-CE1 4.3Å
241Q98.3Very high95.8Very high43 Ų4350 Ų5020%0.20132%0.317CS..EExtended strand (participates in β ladder)trans-141.6147.3174.143.9166.5-25.200110.1A204 L205 R233A204-Q241 CarbonylContact O-C 3.53Å; A204-Q241 VanDerWaalsContact O-CA 3.28Å; A204-Q241 WeakPolarHBondContact O-CA 3.4Å; L205-Q241 HydrophobicContact CD2-CB 3.56Å; R233-Q241 HydrophobicContact CG-CG 3.57Å; R233-Q241 PolarHBondContact N-O 2.95Å; R233-Q241 VanDerWaalsContact NE-OE1 3.17Å; R233-Q241 WeakPolarHBondContact O-CG 3.05Å; R233-Q241 PolarHBondContact O-N 2.93Å
242K98.5Very high95.6Very high22 Ų2244.9 Ų44.910%0.09629%0.294CS..EExtended strand (participates in β ladder)trans-151.3154176.8-161.8-176.4-172.570.30108.9A204 F207 I212 L214 V230 T232A204-K242 PolarHBondContact N-O 3.1Å; A204-K242 PolarHBondContact O-N 3.43Å; A204-K242 VanDerWaalsContact O-O 3.08Å; F207-K242 HydrophobicContact CE1-CB 4.36Å; F207-K242 HydrophobicContact CZ-CB 4.16Å; I212-K242 HydrophobicContact CG2-CB 4.21Å; I212-K242 HydrophobicContact CG2-CD 3.55Å; L214-K242 HydrophobicContact CD1-CD 4.23Å; L214-K242 HydrophobicContact CD2-CB 4.34Å; L214-K242 HydrophobicContact CD2-CD 4.47Å; L214-K242 HydrophobicContact CD2-CG 4.36Å; V230-K242 HydrophobicContact CG2-CG 4.42Å; V230-K242 VanDerWaalsContact O-CE 3.29Å; V230-K242 WeakPolarHBondContact O-CE 3.5Å; V230-K242 WeakPolarHBondContact O-CG 3.49Å; V230-K242 PolarHBondContact O-NZ 3.31Å; T232-K242 WeakPolarHBondContact OG1-CD 3.11Å; T232-K242 PolarHBondContact OG1-NZ 2.89Å
243W98.1Very high95.4Very high23 Ų2343.6 Ų43.69%0.08728%0.284CS..EExtended strand (participates in β ladder)trans-143.5157.4169.559.2-97.8000111.4R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 4.03Å; R201-W243 HydrophobicContact CG-CD2 4.14Å; R201-W243 HydrophobicContact CG-CE3 3.86Å; R201-W243 HydrophobicContact CG-CG 4.26Å; C202-W243 CarbonylContact O-C 3.59Å; C202-W243 WeakPolarHBondContact O-CA 3.4Å; C202-W243 VanDerWaalsContact O-CB 3.23Å; C202-W243 WeakPolarHBondContact O-CB 3.47Å; W203-W243 HydrophobicContact CD2-CB 3.91Å; W203-W243 HydrophobicContact CD2-CG 4.42Å; W203-W243 HydrophobicContact CE3-CB 3.81Å; W203-W243 AromaticContact CE3-CD1 3.82Å; W203-W243 HydrophobicContact CE3-CG 4.1Å; W203-W243 HydrophobicContact CG-CB 4.35Å; W203-W243 AromaticContact CH2-CD1 3.63Å; W203-W243 HydrophobicContact CH2-CG 4.21Å; W203-W243 HydrophobicContact CZ3-CB 4.23Å; W203-W243 AromaticContact CZ3-CD1 3.35Å; W203-W243 HydrophobicContact CZ3-CG 4.01Å; E228-W243 HydrophobicContact CB-CZ3 4.22Å; E228-W243 HydrophobicContact CG-CH2 3.87Å; E228-W243 HydrophobicContact CG-CZ3 3.83Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.49Å; V230-W243 HydrophobicContact CB-CZ2 4.38Å; V230-W243 HydrophobicContact CG1-CD2 4.01Å; V230-W243 HydrophobicContact CG1-CE3 4.35Å; V230-W243 HydrophobicContact CG1-CH2 3.6Å; V230-W243 HydrophobicContact CG1-CZ2 3.17Å; V230-W243 HydrophobicContact CG1-CZ3 4.15Å; V230-W243 HydrophobicContact CG2-CD2 3.73Å; V230-W243 HydrophobicContact CG2-CE3 4.47Å; V230-W243 HydrophobicContact CG2-CG 3.71Å; V230-W243 HydrophobicContact CG2-CZ2 4.36Å; V230-W243 WeakPolarHBondContact CG2-O 3.35Å; V230-W243 PolarHBondContact N-O 3.34Å; W243-A245 HydrophobicContact CE3-CB 4Å; W243-A245 HydrophobicContact CZ3-CB 3.7Å
244A98Very high95.2Very high0 Ų043.7 Ų43.70%029%0.289CS..EExtended strand (participates in β ladder)trans-131.5132173.800000108.7R201 C202 L214 W216 T227 E228 L229R201-A244 WeakPolarHBondContact CA-O 3.34Å; C202-A244 PolarHBondContact N-O 3.43Å; C202-A244 PolarHBondContact O-N 2.99Å; L214-A244 HydrophobicContact CB-CB 4.05Å; L214-A244 HydrophobicContact CD2-CB 4.26Å; W216-A244 VanDerWaalsContact NE1-C 3.35Å; W216-A244 PolarHBondContact NE1-O 2.94Å; T227-A244 HydrophobicContact CG2-CB 3.99Å; E228-A244 CarbonylContact O-C 3.52Å; E228-A244 WeakPolarHBondContact O-CA 3.28Å; L229-A244 HydrophobicContact CD1-CB 3.64Å
245A97.4Very high95.1Very high3 Ų344.5 Ų44.53%0.02528%0.28CS..EExtended strand (participates in β ladder)trans-123.3147.6179.500000112T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.92Å; L200-A245 CarbonylContact O-C 3.45Å; L200-A245 WeakPolarHBondContact O-CA 3.21Å; R201-A245 HydrophobicContact CB-CB 3.93Å; R201-A245 HydrophobicContact CG-CB 4.08Å; T227-A245 CarbonylContact C-O 3.5Å; T227-A245 VanDerWaalsContact CA-O 3.31Å; T227-A245 WeakPolarHBondContact CA-O 3.41Å; E228-A245 HydrophobicContact CB-CB 4.38Å; E228-A245 PolarHBondContact N-O 2.91Å; E228-A245 PolarHBondContact O-N 3.43Å; W243-A245 HydrophobicContact CE3-CB 4Å; W243-A245 HydrophobicContact CZ3-CB 3.7Å
246V97.1Very high95.1Very high3 Ų342.5 Ų42.52%0.01826%0.261CS..EExtended strand (participates in β ladder)trans-137.5141.9176.264.80000109.1T199 L200 W216 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.49Å; L200-V246 HydrophobicContact CB-CG1 4.33Å; L200-V246 PolarHBondContact N-O 3.36Å; L200-V246 PolarHBondContact O-N 2.93Å; W216-V246 HydrophobicContact CD2-CB 4.36Å; W216-V246 HydrophobicContact CD2-CG1 3.59Å; W216-V246 HydrophobicContact CE3-CG1 3.88Å; W216-V246 HydrophobicContact CG-CB 4.18Å; W216-V246 HydrophobicContact CG-CG1 3.92Å; W216-V246 HydrophobicContact CH2-CG1 4.4Å; W216-V246 HydrophobicContact CZ2-CG1 4.15Å; W216-V246 HydrophobicContact CZ3-CG1 4.28Å; V246-V248 HydrophobicContact CG1-CG1 3.77Å; V246-Y256 HydrophobicContact CG1-CD1 3.97Å; V246-Y256 HydrophobicContact CG1-CE1 4.41Å; V246-Y256 HydrophobicContact CG2-CD1 4.32Å; V246-Y256 HydrophobicContact CG2-CE1 4Å
247V96.4Very high95.3Very high75 Ų7539.4 Ų39.446%0.45523%0.227SC..EExtended strand (participates in β ladder)trans-83.7128.1171.1-178.80000108.2E197 A198E197-V247 HydrophobicContact CB-CG1 4.19Å; E197-V247 HydrophobicContact CG-CG1 4.37Å; A198-V247 WeakPolarHBondContact O-CA 3.33Å
248V95.5Very high95.6Very high0 Ų034.4 Ų34.40%020%0.2CC..EExtended strand (participates in β ladder)trans-126.1142.3-176.7-530000110.4E197 A198 L200 V246 E253 Y256E197-V248 WeakPolarHBondContact CA-O 3.07Å; A198-V248 HydrophobicContact CB-CG2 4.31Å; A198-V248 PolarHBondContact N-O 2.72Å; A198-V248 WeakPolarHBondContact O-CG2 3.37Å; A198-V248 PolarHBondContact O-N 2.96Å; L200-V248 HydrophobicContact CD1-CG1 4Å; L200-V248 HydrophobicContact CD1-CG2 4.04Å; L200-V248 HydrophobicContact CG-CG1 4.19Å; L200-V248 HydrophobicContact CG-CG2 3.85Å; V246-V248 HydrophobicContact CG1-CG1 3.77Å; V248-E253 HydrophobicContact CG2-CG 3.92Å; V248-Y256 HydrophobicContact CB-CD2 4.04Å; V248-Y256 HydrophobicContact CB-CE2 3.79Å; V248-Y256 HydrophobicContact CG1-CD1 3.72Å; V248-Y256 HydrophobicContact CG1-CD2 3.59Å; V248-Y256 HydrophobicContact CG1-CE1 3.71Å; V248-Y256 HydrophobicContact CG1-CE2 3.61Å; V248-Y256 HydrophobicContact CG1-CG 3.65Å
249P95Very high95.8Very high48 Ų4834 Ų3431%0.31219%0.188SC..EExtended strand (participates in β ladder)trans-63.5140169.9-20.432.4000111H196 G251 Q252H196-P249 CarbonylContact O-C 3.56Å; H196-P249 WeakPolarHBondContact O-CA 3.27Å; P249-G251 PolarHBondContact O-N 3.22Å; P249-Q252 HydrophobicContact CB-CB 4.4Å; P249-Q252 HydrophobicContact CB-CG 4.15Å; P249-Q252 WeakPolarHBondContact O-CB 3.33Å; P249-Q252 PolarHBondContact O-N 2.9Å
250S90.1Very high95.9Very high55 Ų5533.4 Ų33.439%0.38518%0.184SC..THydrogen-bonded Turntrans-56.8132.4177.2-61.90000111.4H196 E197 Q252 E253H196-S250 PolarHBondContact O-N 2.82Å; H196-S250 PolarHBondContact O-OG 3.16Å; E197-S250 PolarHBondContact N-OG 2.84Å; S250-Q252 VanDerWaalsContact C-N 3.31Å; S250-E253 WeakPolarHBondContact CA-OE1 3.41Å
251G89.1Confident95.9Very high67 Ų6737 Ų3769%0.69120%0.201SC*.THydrogen-bonded Turntrans84.7-3.8-176.800000114.7P249 E253P249-G251 PolarHBondContact O-N 3.22Å; G251-E253 WeakPolarHBondContact CA-OE2 3.37Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 3.43Å; G251-E253 PolarHBondContact N-OE2 2.75Å
252Q93.6Very high95.9Very high64 Ų6435.7 Ų35.730%0.29920%0.195SC..  trans-104.24.8175.7-59.6-167.338.400113.4P249 S250 Q254 R255 Y256P249-Q252 HydrophobicContact CB-CB 4.4Å; P249-Q252 HydrophobicContact CB-CG 4.15Å; P249-Q252 WeakPolarHBondContact O-CB 3.33Å; P249-Q252 PolarHBondContact O-N 2.9Å; S250-Q252 VanDerWaalsContact C-N 3.31Å; Q252-Q254 PolarHBondContact O-N 3.16Å; Q252-Q254 VanDerWaalsContact O-N 3.1Å; Q252-R255 WeakPolarHBondContact O-CB 3.17Å; Q252-R255 PolarHBondContact O-N 2.88Å; Q252-Y256 HydrophobicContact CB-CE2 4.43Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.38Å
253E93.4Very high95.8Very high19 Ų1941.7 Ų41.79%0.08922%0.223CC..G310 helixtrans-54.6-36.3-174.3-59.379.5-176.500112.2L200 V248 S250 G251 R255 Y256 W273L200-E253 HydrophobicContact CD1-CB 4.04Å; L200-E253 HydrophobicContact CD1-CG 4.41Å; L200-E253 HydrophobicContact CD2-CG 4.31Å; V248-E253 HydrophobicContact CG2-CG 3.92Å; S250-E253 WeakPolarHBondContact CA-OE1 3.41Å; G251-E253 WeakPolarHBondContact CA-OE2 3.37Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 3.43Å; G251-E253 PolarHBondContact N-OE2 2.75Å; E253-R255 PolarHBondContact O-N 3.48Å; E253-Y256 PolarHBondContact O-N 2.8Å; E253-Y256 VanDerWaalsContact O-N 3.16Å; E253-W273 HydrophobicContact CB-CD2 4.19Å; E253-W273 HydrophobicContact CB-CE3 3.44Å; E253-W273 VanDerWaalsContact CB-CE3 3.44Å; E253-W273 HydrophobicContact CB-CZ3 3.91Å; E253-W273 HydrophobicContact CG-CD2 4.49Å; E253-W273 HydrophobicContact CG-CE3 3.89Å; E253-W273 HydrophobicContact CG-CZ3 3.99Å
254Q92.8Very high95.6Very high94 Ų9441.5 Ų41.544%0.43923%0.229SC..G310 helixtrans-67.9-19.7-179.5-65.4-58.4-40.900114.4Q252 Y256 W273Q252-Q254 PolarHBondContact O-N 3.16Å; Q252-Q254 VanDerWaalsContact O-N 3.1Å; Q254-Y256 VanDerWaalsContact C-N 3.25Å; Q254-W273 PolarHBondContact NE2-O 3.09Å
255R95.3Very high95.6Very high110 Ų11042.6 Ų42.642%0.41524%0.235SC..G310 helixtrans-77.1-16.9176.2-63.1175.167.2-175.47.9112.1R218 D219 Q252 E253R218-R255 WeakPolarHBondContact CA-O 3.23Å; R218-R255 HydrophobicContact CG-CB 4.33Å; D219-R255 PolarHBondContact N-O 3.32Å; D219-R255 WeakPolarHBondContact OD1-CB 3.43Å; D219-R255 IonicContact OD1-NE 3.48Å; D219-R255 PolarHBondContact OD1-NE 3.01Å; D219-R255 IonicContact OD2-CZ 3.08Å; D219-R255 IonicContact OD2-NE 2.78Å; D219-R255 PolarHBondContact OD2-NE 3.33Å; D219-R255 IonicContact OD2-NH2 2.62Å; D219-R255 PolarHBondContact OD2-NH2 3.39Å; Q252-R255 WeakPolarHBondContact O-CB 3.17Å; Q252-R255 PolarHBondContact O-N 2.88Å; E253-R255 PolarHBondContact O-N 3.48Å
256Y96.4Very high95.5Very high7 Ų748.9 Ų48.93%0.02728%0.275CS..EExtended strand (participates in β ladder)trans-96.7130.4-177.5-69.6-101.7000110.9Q217 R218 Q223 V246 V248 Q252 E253 Q254Q217-Y256 CarbonylContact O-C 3.54Å; Q217-Y256 VanDerWaalsContact O-CA 3.28Å; Q217-Y256 WeakPolarHBondContact O-CA 3.44Å; R218-Y256 HydrophobicContact CB-CD1 4.15Å; R218-Y256 HydrophobicContact CB-CE1 3.99Å; R218-Y256 WeakPolarHBondContact CD-OH 3.36Å; R218-Y256 HydrophobicContact CG-CD2 4.46Å; R218-Y256 HydrophobicContact CG-CE1 4.24Å; R218-Y256 HydrophobicContact CG-CE2 4.12Å; Q223-Y256 HydrophobicContact CG-CE1 4.36Å; V246-Y256 HydrophobicContact CG1-CD1 3.97Å; V246-Y256 HydrophobicContact CG1-CE1 4.41Å; V246-Y256 HydrophobicContact CG2-CD1 4.32Å; V246-Y256 HydrophobicContact CG2-CE1 4Å; V248-Y256 HydrophobicContact CB-CD2 4.04Å; V248-Y256 HydrophobicContact CB-CE2 3.79Å; V248-Y256 HydrophobicContact CG1-CD1 3.72Å; V248-Y256 HydrophobicContact CG1-CD2 3.59Å; V248-Y256 HydrophobicContact CG1-CE1 3.71Å; V248-Y256 HydrophobicContact CG1-CE2 3.61Å; V248-Y256 HydrophobicContact CG1-CG 3.65Å; Q252-Y256 HydrophobicContact CB-CE2 4.43Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.38Å; E253-Y256 PolarHBondContact O-N 2.8Å; E253-Y256 VanDerWaalsContact O-N 3.16Å; Q254-Y256 VanDerWaalsContact C-N 3.25Å
257T97.4Very high95.5Very high12 Ų1256.5 Ų56.57%0.07431%0.308CS..EExtended strand (participates in β ladder)trans-124.7135176.952.50000110.5W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 3.48Å; W216-T257 VanDerWaalsContact CE3-C 3.46Å; Q217-T257 PolarHBondContact N-O 3.31Å; Q217-T257 PolarHBondContact O-N 3.16Å; T257-H259 PolarHBondContact OG1-NE2 2.89Å; T257-T270 HydrophobicContact CG2-CG2 4.05Å; T257-L271 WeakPolarHBondContact CA-O 3.49Å; T257-R272 HydrophobicContact CG2-CG 3.48Å; T257-R272 VanDerWaalsContact CG2-CG 3.48Å
258C97.9Very high95.5Very high0 Ų056.8 Ų56.80%031%0.312CS..EExtended strand (participates in β ladder)trans-95.5128.2170.5174.80000109.4M188 C202 T215 W216 T270 L271M188-C258 HydrophobicContact CE-CB 3.59Å; C202-C258 HydrophobicContact CB-CB 3.51Å; C202-C258 WeakPolarHBondContact CB-SG 3.46Å; C202-C258 WeakPolarHBondContact SG-CB 3.37Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.35Å; T215-C258 CarbonylContact O-C 3.53Å; T215-C258 WeakPolarHBondContact O-CA 3.45Å; W216-C258 HydrophobicContact CD2-CB 4.22Å; W216-C258 HydrophobicContact CE3-CB 4.17Å; W216-C258 HydrophobicContact CH2-CB 4.06Å; W216-C258 HydrophobicContact CZ2-CB 4.1Å; W216-C258 HydrophobicContact CZ3-CB 4.09Å; C258-T270 CarbonylContact O-C 3.53Å; C258-T270 WeakPolarHBondContact O-CA 3.33Å; C258-L271 HydrophobicContact CB-CB 4.31Å; C258-L271 PolarHBondContact N-O 3.47Å; C258-L271 PolarHBondContact O-N 3.21Å
259H97.8Very high95.6Very high32 Ų3259.8 Ų59.815%0.14833%0.327CS..EExtended strand (participates in β ladder)trans-106.8128.8176.8-62.6-101.8000109.6L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.39Å; T215-H259 PolarHBondContact N-O 3.15Å; T215-H259 PolarHBondContact O-N 2.92Å; Q217-H259 PolarHBondContact OE1-NE2 3.35Å; T257-H259 PolarHBondContact OG1-NE2 2.89Å; H259-L269 CarbonylContact C-O 3.54Å; H259-L269 WeakPolarHBondContact CA-O 3.46Å; H259-T270 PolarHBondContact ND1-OG1 3.03Å
260V98.2Very high95.7Very high0 Ų061.3 Ų61.30%034%0.336CS..EExtended strand (participates in β ladder)trans-121.3119.6-179-1750000108.8P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.99Å; T186-V260 HydrophobicContact CG2-CG1 4.31Å; T186-V260 HydrophobicContact CG2-CG2 4.15Å; I212-V260 HydrophobicContact CD1-CG1 3.95Å; I212-V260 HydrophobicContact CG1-CG1 4.3Å; T213-V260 WeakPolarHBondContact O-CA 3.46Å; L214-V260 HydrophobicContact CD1-CG1 4.05Å; L214-V260 HydrophobicContact CD1-CG2 4.5Å; L214-V260 HydrophobicContact CG-CG2 4.31Å; V260-L265 HydrophobicContact CG1-CD1 4.17Å; V260-P268 WeakPolarHBondContact O-CA 3.31Å; V260-L269 HydrophobicContact CB-CB 4.32Å; V260-L269 PolarHBondContact N-O 3.21Å; V260-L269 PolarHBondContact O-N 3.44Å; V260-L271 HydrophobicContact CG2-CD1 3.95Å
261Q98.3Very high95.9Very high100 Ų10060.4 Ų60.447%0.46733%0.326SS..EExtended strand (participates in β ladder)trans-115.2128.1173.7-51.3-179.316.100109.1I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.3Å; I212-Q261 WeakPolarHBondContact CG1-O 3.48Å; T213-Q261 PolarHBondContact N-O 3.36Å; T213-Q261 PolarHBondContact O-N 2.83Å; Q261-P268 HydrophobicContact CG-CB 4.07Å; Q261-P268 HydrophobicContact CG-CG 4.15Å
262H98Very high96.2Very high15 Ų1564.8 Ų64.87%0.06932%0.322CS..  trans-154.5145.3-179.4-175.5-101.5000108.2D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 3.04Å; P184-H262 HydrophobicContact CG-CB 4.13Å; F207-H262 AromaticContact CD2-CD2 3.79Å; F207-H262 AromaticContact CD2-NE2 3.58Å; Y208-H262 PolarHBondContact O-CE1 3.15Å; P209-H262 PolarHBondContact O-NE2 2.88Å; E211-H262 PolarHBondContact O-CD2 3.23Å; E211-H262 VanDerWaalsContact O-CD2 3.27Å; I212-H262 HydrophobicContact CD1-CB 4.25Å; I212-H262 HydrophobicContact CG1-CB 4.03Å; H262-G264 WeakPolarHBondContact ND1-CA 2.85Å; H262-G264 PolarHBondContact ND1-N 3.36Å; H262-G264 PolarHBondContact O-N 2.72Å; H262-L265 HydrophobicContact CB-CD1 3.96Å; H262-L265 HydrophobicContact CB-CG 4.15Å; H262-L265 WeakPolarHBondContact O-CB 3.46Å; H262-L265 PolarHBondContact O-N 3.14Å
263E95.4Very high96.1Very high148 Ų14863.9 Ų63.969%0.69232%0.316SS*.THydrogen-bonded Turntrans-59.2-32-179.4-175.3174.3175.900112.6T181 L265T181-E263 HydrophobicContact CG2-CB 4.03Å; T181-E263 HydrophobicContact CG2-CG 4.12Å; E263-L265 PolarHBondContact O-N 3.09Å
264G95.1Very high95.6Very high20 Ų2070.7 Ų70.721%0.20635%0.348CS..THydrogen-bonded Turntrans-71.9-5.4177.200000114.5A183 H262A183-G264 WeakPolarHBondContact CB-O 3.43Å; H262-G264 WeakPolarHBondContact ND1-CA 2.85Å; H262-G264 PolarHBondContact ND1-N 3.36Å; H262-G264 PolarHBondContact O-N 2.72Å
265L97.3Very high94.8Very high23 Ų2370 Ų7012%0.1235%0.351CS..SBendtrans-100.6126.9176.2-64.7170.4000109.7A183 P184 V260 H262 E263 K267 L269A183-L265 HydrophobicContact CB-CD2 4Å; P184-L265 HydrophobicContact CG-CD1 3.87Å; P184-L265 HydrophobicContact CG-CD2 4.39Å; P184-L265 HydrophobicContact CG-CG 4.19Å; V260-L265 HydrophobicContact CG1-CD1 4.17Å; H262-L265 HydrophobicContact CB-CD1 3.96Å; H262-L265 HydrophobicContact CB-CG 4.15Å; H262-L265 WeakPolarHBondContact O-CB 3.46Å; H262-L265 PolarHBondContact O-N 3.14Å; E263-L265 PolarHBondContact O-N 3.09Å; L265-K267 WeakPolarHBondContact CB-O 3.22Å; L265-K267 PolarHBondContact O-N 3.26Å; L265-L269 HydrophobicContact CD1-CB 4.39Å; L265-L269 HydrophobicContact CD1-CD1 3.85Å; L265-L269 HydrophobicContact CD1-CG 3.8Å; L265-L269 HydrophobicContact CD2-CD1 3.55Å; L265-L269 HydrophobicContact CD2-CG 3.86Å; L265-L269 HydrophobicContact CG-CD1 4.35Å; L265-L269 HydrophobicContact CG-CG 4.41Å
266P95.8Very high93.2Very high134 Ų13469.8 Ų69.887%0.8737%0.367SS*.SBendtrans-65.2-24.9177.826.9-34.7000112.4
267K96.4Very high90.9Very high163 Ų16374.9 Ų74.971%0.70940%0.404SS*.SBendtrans-146151.5173.5-64.1-175.8-177.4178.60109.2L265 L269L265-K267 WeakPolarHBondContact CB-O 3.22Å; L265-K267 PolarHBondContact O-N 3.26Å; K267-L269 PolarHBondContact O-N 2.78Å
268P96.8Very high88.3Confident82 Ų8282 Ų8253%0.53244%0.436SS..  trans-51135.4172.1-28.236.4000112V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.31Å; Q261-P268 HydrophobicContact CG-CB 4.07Å; Q261-P268 HydrophobicContact CG-CG 4.15Å
269L97.1Very high85.7Confident63 Ų6387.1 Ų87.133%0.3347%0.469SS..EExtended strand (participates in β ladder)trans-86.8140.2173.5-68.5176.9000109.6T186 H259 V260 L265 K267T186-L269 HydrophobicContact CG2-CD1 4.43Å; H259-L269 CarbonylContact C-O 3.54Å; H259-L269 WeakPolarHBondContact CA-O 3.46Å; V260-L269 HydrophobicContact CB-CB 4.32Å; V260-L269 PolarHBondContact N-O 3.21Å; V260-L269 PolarHBondContact O-N 3.44Å; L265-L269 HydrophobicContact CD1-CB 4.39Å; L265-L269 HydrophobicContact CD1-CD1 3.85Å; L265-L269 HydrophobicContact CD1-CG 3.8Å; L265-L269 HydrophobicContact CD2-CD1 3.55Å; L265-L269 HydrophobicContact CD2-CG 3.86Å; L265-L269 HydrophobicContact CG-CD1 4.35Å; L265-L269 HydrophobicContact CG-CG 4.41Å; K267-L269 PolarHBondContact O-N 2.78Å
270T97.1Very high83.4Confident79 Ų7992 Ų9249%0.48550%0.502SS..EExtended strand (participates in β ladder)trans-119.3117.5170.5-56.40000107.7T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 4.05Å; C258-T270 CarbonylContact O-C 3.53Å; C258-T270 WeakPolarHBondContact O-CA 3.33Å; H259-T270 PolarHBondContact ND1-OG1 3.03Å
271L95.8Very high81.2Confident36 Ų3697 Ų9719%0.18853%0.527CS..EExtended strand (participates in β ladder)trans-106.4140.8-179.1-62.1152.4000108.4T186 M188 T257 C258 V260T186-L271 HydrophobicContact CG2-CD1 4.05Å; M188-L271 HydrophobicContact CE-CB 3.54Å; M188-L271 WeakPolarHBondContact CE-O 3.39Å; T257-L271 WeakPolarHBondContact CA-O 3.49Å; C258-L271 HydrophobicContact CB-CB 4.31Å; C258-L271 PolarHBondContact N-O 3.47Å; C258-L271 PolarHBondContact O-N 3.21Å; V260-L271 HydrophobicContact CG2-CD1 3.95Å
272R93.9Very high78.9Confident160 Ų16096.5 Ų96.560%0.60453%0.532SS*.EExtended strand (participates in β ladder)trans-119.8153.1167.8-77.4-179.9179.7160.91.5108.7T257 E274T257-R272 HydrophobicContact CG2-CG 3.48Å; T257-R272 VanDerWaalsContact CG2-CG 3.48Å; R272-E274 PolarHBondContact O-N 3.49Å
273W91.7Very high77Confident45 Ų45101.2 Ų101.217%0.1756%0.557CS.*  trans-71.7126.4174.1175.170.7000108.8M188 H190 L200 E253 Q254 P275M188-W273 WeakPolarHBondContact SD-CA 3.49Å; M188-W273 HydrophobicContact SD-CB 3.74Å; M188-W273 PolarHBondContact SD-N 3.42Å; H190-W273 HydrophobicContact CB-CZ2 4.23Å; H190-W273 VanDerWaalsContact CB-NE1 3.26Å; H190-W273 AromaticContact CG-NE1 3.97Å; L200-W273 HydrophobicContact CD1-CB 4.22Å; L200-W273 HydrophobicContact CD2-CB 3.95Å; L200-W273 HydrophobicContact CD2-CD2 4.33Å; L200-W273 HydrophobicContact CD2-CG 3.78Å; E253-W273 HydrophobicContact CB-CD2 4.19Å; E253-W273 HydrophobicContact CB-CE3 3.44Å; E253-W273 VanDerWaalsContact CB-CE3 3.44Å; E253-W273 HydrophobicContact CB-CZ3 3.91Å; E253-W273 HydrophobicContact CG-CD2 4.49Å; E253-W273 HydrophobicContact CG-CE3 3.89Å; E253-W273 HydrophobicContact CG-CZ3 3.99Å; Q254-W273 PolarHBondContact NE2-O 3.09Å; W273-P275 HydrophobicContact CE3-CG 4.3Å; W273-P275 HydrophobicContact CH2-CB 3.86Å; W273-P275 HydrophobicContact CH2-CG 3.66Å; W273-P275 HydrophobicContact CZ2-CB 4.04Å; W273-P275 HydrophobicContact CZ2-CG 4.21Å; W273-P275 HydrophobicContact CZ3-CB 4.41Å; W273-P275 HydrophobicContact CZ3-CG 3.7Å
274E83.6Confident75.1Confident162 Ų16299.9 Ų99.976%0.75756%0.558SS**  trans-110.4125.6169.5-73.5-178.6177.500108.1R272 S276R272-E274 PolarHBondContact O-N 3.49Å; E274-S276 PolarHBondContact O-N 3.08Å
275P76.9Confident73.3Confident78 Ų78101.1 Ų101.151%0.50657%0.571SS.*  trans-56.7127.2170.9-13.422.5000108.3W273 S277W273-P275 HydrophobicContact CE3-CG 4.3Å; W273-P275 HydrophobicContact CH2-CB 3.86Å; W273-P275 HydrophobicContact CH2-CG 3.66Å; W273-P275 HydrophobicContact CZ2-CB 4.04Å; W273-P275 HydrophobicContact CZ2-CG 4.21Å; W273-P275 HydrophobicContact CZ3-CB 4.41Å; W273-P275 HydrophobicContact CZ3-CG 3.7Å; P275-S277 PolarHBondContact O-N 3.23Å
276S61.6Low71.8Confident106 Ų106104.5 Ų104.574%0.74159%0.588SS**  trans-60.4114.2178.968.80000109E274 Q278E274-S276 PolarHBondContact O-N 3.08Å; S276-Q278 PolarHBondContact O-N 3.4Å
277S46.5Very low70.4Confident115 Ų115102.7 Ų102.780%0.80457%0.571SS**  trans-77.565167.447.60000108P275 P279P275-S277 PolarHBondContact O-N 3.23Å; S277-P279 WeakPolarHBondContact O-CD 3.47Å
278Q44.3Very low69Low162 Ų16297.3 Ų97.376%0.75756%0.557SS**  trans-66.6111.6156.2-81.9-169.6-21.900105.6S276 T280S276-Q278 PolarHBondContact O-N 3.4Å; Q278-T280 PolarHBondContact O-N 2.85Å
279P41.9Very low67.8Low106 Ų10695 Ų9569%0.68855%0.547SS*.  trans-58.4117.2167.825-30.1000105S277 I281S277-P279 WeakPolarHBondContact O-CD 3.47Å; P279-I281 PolarHBondContact O-N 2.99Å
280T49.7Very low66.9Low136 Ų13697.6 Ų97.683%0.83456%0.561SS**  trans-63.586.1161.6-33.60000104.3Q278 P282Q278-T280 PolarHBondContact O-N 2.85Å; T280-P282 VanDerWaalsContact O-CD 3.28Å; T280-P282 WeakPolarHBondContact O-CD 3.44Å
281I51.5Low65.8Low104 Ų10498.4 Ų98.453%0.53357%0.566SS.*  trans-51.2118.9167.6-64.1175.4000103.1P279 I283 I286P279-I281 PolarHBondContact O-N 2.99Å; I281-I283 PolarHBondContact O-N 2.89Å; I281-I286 HydrophobicContact CG2-CD1 3.84Å
282P51Low64.7Low89 Ų89102.4 Ų102.458%0.57859%0.586SS**  trans-7383.2-176.829.2-31.9000106.3T280 V284 G285 I286T280-P282 VanDerWaalsContact O-CD 3.28Å; T280-P282 WeakPolarHBondContact O-CD 3.44Å; P282-V284 PolarHBondContact O-N 3.13Å; P282-V284 VanDerWaalsContact O-N 3.09Å; P282-G285 WeakPolarHBondContact O-CA 3.17Å; P282-G285 PolarHBondContact O-N 3.28Å; P282-I286 PolarHBondContact O-N 2.86Å
283I58.2Low63.6Low114 Ų114102 Ų10259%0.58559%0.589SS**Hα-helixtrans-53.5-31.9177-68.1167.1000108.8I281 G285 I286 I287I281-I283 PolarHBondContact O-N 2.89Å; I283-G285 PolarHBondContact O-N 3.24Å; I283-I286 PolarHBondContact O-N 3.16Å; I283-I287 HydrophobicContact CG2-CD1 3.69Å; I283-I287 HydrophobicContact CG2-CG1 4.33Å; I283-I287 VanDerWaalsContact O-CG1 3.24Å; I283-I287 WeakPolarHBondContact O-CG1 3.33Å; I283-I287 PolarHBondContact O-N 2.88Å
284V55.1Low62.6Low120 Ų120101.6 Ų101.673%0.72760%0.6SS**Hα-helixtrans-61.4-40.7173.4-174.70000112.9P282 A288P282-V284 PolarHBondContact O-N 3.13Å; P282-V284 VanDerWaalsContact O-N 3.09Å; V284-A288 WeakPolarHBondContact O-CB 3.47Å; V284-A288 PolarHBondContact O-N 2.94Å
285G57.8Low62.1Low46 Ų4696.7 Ų96.747%0.47459%0.586SS.*Hα-helixtrans-69.8-36.6179.100000112.9P282 I283 G289P282-G285 WeakPolarHBondContact O-CA 3.17Å; P282-G285 PolarHBondContact O-N 3.28Å; I283-G285 PolarHBondContact O-N 3.24Å; G285-G289 PolarHBondContact O-N 3.15Å
286I65.2Low62.1Low94 Ų9497.8 Ų97.848%0.48259%0.592SS.*Hα-helixtrans-70.5-42.6176.4-61175.1000110.5I281 P282 I283 G289 L290I281-I286 HydrophobicContact CG2-CD1 3.84Å; P282-I286 PolarHBondContact O-N 2.86Å; I283-I286 PolarHBondContact O-N 3.16Å; I286-G289 PolarHBondContact O-N 3.17Å; I286-L290 HydrophobicContact CG2-CD1 3.93Å; I286-L290 HydrophobicContact CG2-CG 4.45Å; I286-L290 WeakPolarHBondContact O-CB 3.33Å; I286-L290 WeakPolarHBondContact O-CG 3.38Å; I286-L290 PolarHBondContact O-N 2.84Å
287I66.6Low62.6Low97 Ų9797.7 Ų97.750%0.49758%0.582SS.*Hα-helixtrans-64.7-46.1177-67.3169.8000110.7I283 G289 L290 V291I283-I287 HydrophobicContact CG2-CD1 3.69Å; I283-I287 HydrophobicContact CG2-CG1 4.33Å; I283-I287 VanDerWaalsContact O-CG1 3.24Å; I283-I287 WeakPolarHBondContact O-CG1 3.33Å; I283-I287 PolarHBondContact O-N 2.88Å; I287-G289 VanDerWaalsContact C-N 3.32Å; I287-G289 PolarHBondContact O-N 2.86Å; I287-L290 PolarHBondContact O-N 3.35Å; I287-V291 HydrophobicContact CG2-CG2 4.31Å; I287-V291 VanDerWaalsContact O-CG2 3.28Å; I287-V291 WeakPolarHBondContact O-CG2 3.44Å; I287-V291 PolarHBondContact O-N 2.98Å
288A67.3Low63.8Low50 Ų5096.4 Ų96.441%0.41357%0.569SS.*Hα-helixtrans-60.8-42.4176.800000111.8V284 V291 L292V284-A288 WeakPolarHBondContact O-CB 3.47Å; V284-A288 PolarHBondContact O-N 2.94Å; A288-V291 PolarHBondContact O-N 2.04Å; A288-L292 WeakPolarHBondContact O-CB 3.03Å; A288-L292 WeakPolarHBondContact O-CG 3.42Å; A288-L292 PolarHBondContact O-N 2.82Å
289G71.4Confident65.1Low32 Ų3290.7 Ų90.733%0.3355%0.554SS.*Hα-helixtrans-61.5-44.9175.400000113.1G285 I286 I287 L292 F293G285-G289 PolarHBondContact O-N 3.15Å; I286-G289 PolarHBondContact O-N 3.17Å; I287-G289 VanDerWaalsContact C-N 3.32Å; I287-G289 PolarHBondContact O-N 2.86Å; G289-L292 PolarHBondContact O-N 2.89Å; G289-F293 WeakPolarHBondContact O-CB 3.34Å; G289-F293 PolarHBondContact O-N 3.14Å
290L77Confident66.6Low118 Ų11888.5 Ų88.562%0.61854%0.544SS*.Hα-helixtrans-67.6-39178.6-74.8170000112.8I286 I287 F293 G294I286-L290 HydrophobicContact CG2-CD1 3.93Å; I286-L290 HydrophobicContact CG2-CG 4.45Å; I286-L290 WeakPolarHBondContact O-CB 3.33Å; I286-L290 WeakPolarHBondContact O-CG 3.38Å; I286-L290 PolarHBondContact O-N 2.84Å; I287-L290 PolarHBondContact O-N 3.35Å; L290-F293 PolarHBondContact O-N 3.17Å; L290-G294 PolarHBondContact O-N 2.71Å
291V74.9Confident67.8Low97 Ų9786 Ų8659%0.58853%0.529SS*.Hα-helixtrans-65.4-43.5176.2171.80000110.7I287 A288 G294 A295I287-V291 HydrophobicContact CG2-CG2 4.31Å; I287-V291 VanDerWaalsContact O-CG2 3.28Å; I287-V291 WeakPolarHBondContact O-CG2 3.44Å; I287-V291 PolarHBondContact O-N 2.98Å; A288-V291 PolarHBondContact O-N 2.04Å; V291-G294 PolarHBondContact O-N 3.21Å; V291-A295 WeakPolarHBondContact O-CB 3.46Å; V291-A295 PolarHBondContact O-N 2.7Å
292L71.9Confident68.8Low119 Ų11985 Ų8562%0.62353%0.527SS*.Hα-helixtrans-64.4-44.5176.4-75.3168.7000111.9A288 G289 A295 V296A288-L292 WeakPolarHBondContact O-CB 3.03Å; A288-L292 WeakPolarHBondContact O-CG 3.42Å; A288-L292 PolarHBondContact O-N 2.82Å; G289-L292 PolarHBondContact O-N 2.89Å; L292-A295 PolarHBondContact O-N 3.46Å; L292-V296 VanDerWaalsContact O-CG2 3.31Å; L292-V296 WeakPolarHBondContact O-CG2 3.28Å; L292-V296 PolarHBondContact O-N 3.4Å
293F71.5Confident69.7Low151 Ų15183.5 Ų83.566%0.66252%0.522SS*.Hα-helixtrans-62.2-43.8175.6-108.1-87.9000112G289 L290 A295 V296 I297G289-F293 WeakPolarHBondContact O-CB 3.34Å; G289-F293 PolarHBondContact O-N 3.14Å; L290-F293 PolarHBondContact O-N 3.17Å; F293-A295 PolarHBondContact O-N 2.99Å; F293-V296 PolarHBondContact O-N 3.43Å; F293-I297 WeakPolarHBondContact O-CG1 3.47Å; F293-I297 PolarHBondContact O-N 2.99Å
294G71.1Confident70.4Confident38 Ų3880.8 Ų80.839%0.39252%0.517SS..Hα-helixtrans-59.4-44.2176.200000112.4L290 V291 I297 T298L290-G294 PolarHBondContact O-N 2.71Å; V291-G294 PolarHBondContact O-N 3.21Å; G294-I297 PolarHBondContact O-N 3.5Å; G294-T298 PolarHBondContact O-N 3.38Å; G294-T298 PolarHBondContact O-OG1 3.26Å
295A73.9Confident71.2Confident58 Ų5878.9 Ų78.948%0.47951%0.506SS..Hα-helixtrans-65.6-39.8178.100000112.8V291 L292 F293 T298 G299V291-A295 WeakPolarHBondContact O-CB 3.46Å; V291-A295 PolarHBondContact O-N 2.7Å; L292-A295 PolarHBondContact O-N 3.46Å; F293-A295 PolarHBondContact O-N 2.99Å; A295-T298 WeakPolarHBondContact CA-OG1 3.04Å; A295-T298 PolarHBondContact O-OG1 3.01Å; A295-G299 PolarHBondContact O-N 3.18Å
296V76.1Confident71.8Confident102 Ų10282.9 Ų82.962%0.61851%0.514SS*.Hα-helixtrans-65.9-43.3176.4172.70000110.8L292 F293 G299 A300L292-V296 VanDerWaalsContact O-CG2 3.31Å; L292-V296 WeakPolarHBondContact O-CG2 3.28Å; L292-V296 PolarHBondContact O-N 3.4Å; F293-V296 PolarHBondContact O-N 3.43Å; V296-G299 PolarHBondContact O-N 3.04Å; V296-A300 VanDerWaalsContact O-CB 3.32Å; V296-A300 WeakPolarHBondContact O-CB 3.11Å; V296-A300 PolarHBondContact O-N 2.97Å
297I72.9Confident72Confident103 Ų10388.3 Ų88.353%0.52853%0.528SS..Hα-helixtrans-65.2-45.2178.3-68-179.7000110.8F293 G294 G299 A300 V301F293-I297 WeakPolarHBondContact O-CG1 3.47Å; F293-I297 PolarHBondContact O-N 2.99Å; G294-I297 PolarHBondContact O-N 3.5Å; I297-G299 PolarHBondContact O-N 3.36Å; I297-A300 PolarHBondContact O-N 3.48Å; I297-V301 HydrophobicContact CG2-CG2 4.41Å; I297-V301 VanDerWaalsContact O-CG2 3.27Å; I297-V301 WeakPolarHBondContact O-CG2 3.32Å; I297-V301 PolarHBondContact O-N 2.86Å
298T70.6Confident71.9Confident89 Ų8993.2 Ų93.255%0.54654%0.54SS..Hα-helixtrans-63.8-42.2176.325.50000111.8G294 A295 A300 V301 V302G294-T298 PolarHBondContact O-N 3.38Å; G294-T298 PolarHBondContact O-OG1 3.26Å; A295-T298 WeakPolarHBondContact CA-OG1 3.04Å; A295-T298 PolarHBondContact O-OG1 3.01Å; T298-A300 PolarHBondContact O-N 3.06Å; T298-V301 PolarHBondContact O-N 2.95Å; T298-V302 VanDerWaalsContact O-CG2 3.27Å; T298-V302 WeakPolarHBondContact O-CG2 3.5Å; T298-V302 PolarHBondContact O-N 2.67Å
299G71.4Confident71.5Confident42 Ų42100.1 Ų100.143%0.43356%0.556SS.*Hα-helixtrans-59.1-44.9174.300000112.9A295 V296 I297 V302 A303A295-G299 PolarHBondContact O-N 3.18Å; V296-G299 PolarHBondContact O-N 3.04Å; I297-G299 PolarHBondContact O-N 3.36Å; G299-V302 PolarHBondContact O-N 2.87Å; G299-A303 WeakPolarHBondContact O-CB 3.37Å; G299-A303 PolarHBondContact O-N 3.11Å
300A73.3Confident70.6Confident59 Ų59107.3 Ų107.349%0.48858%0.578SS.*Hα-helixtrans-65.2-41.3177.900000112.4V296 I297 T298 A303 A304V296-A300 VanDerWaalsContact O-CB 3.32Å; V296-A300 WeakPolarHBondContact O-CB 3.11Å; V296-A300 PolarHBondContact O-N 2.97Å; I297-A300 PolarHBondContact O-N 3.48Å; T298-A300 PolarHBondContact O-N 3.06Å; A300-A303 PolarHBondContact O-N 3.11Å; A300-A304 VanDerWaalsContact O-CB 3.31Å; A300-A304 WeakPolarHBondContact O-CB 3.31Å; A300-A304 PolarHBondContact O-N 3.09Å
301V74.3Confident69.5Low84 Ų84105 Ų10551%0.50957%0.572SS.*Hα-helixtrans-65.1-44.9176.61720000110.8I297 T298 A303 A304 V305I297-V301 HydrophobicContact CG2-CG2 4.41Å; I297-V301 VanDerWaalsContact O-CG2 3.27Å; I297-V301 WeakPolarHBondContact O-CG2 3.32Å; I297-V301 PolarHBondContact O-N 2.86Å; T298-V301 PolarHBondContact O-N 2.95Å; V301-A303 PolarHBondContact O-N 3.34Å; V301-A304 PolarHBondContact O-N 2.84Å; V301-V305 HydrophobicContact CG1-CG2 4.33Å; V301-V305 WeakPolarHBondContact O-CB 3.48Å; V301-V305 VanDerWaalsContact O-CG2 3.27Å; V301-V305 WeakPolarHBondContact O-CG2 3.31Å; V301-V305 PolarHBondContact O-N 2.83Å
302V73.7Confident68.5Low83 Ų83104.4 Ų104.450%0.50357%0.572SS.*Hα-helixtrans-62.3-44.4177.1172.90000110.7T298 G299 A304 V305 M306T298-V302 VanDerWaalsContact O-CG2 3.27Å; T298-V302 WeakPolarHBondContact O-CG2 3.5Å; T298-V302 PolarHBondContact O-N 2.67Å; G299-V302 PolarHBondContact O-N 2.87Å; V302-A304 PolarHBondContact O-N 3.41Å; V302-V305 PolarHBondContact O-N 3.13Å; V302-M306 HydrophobicContact CG1-CG 4.46Å; V302-M306 HydrophobicContact CG1-SD 4.14Å; V302-M306 WeakPolarHBondContact O-CB 3.46Å; V302-M306 WeakPolarHBondContact O-CG 3.41Å; V302-M306 PolarHBondContact O-N 3.18Å
303A70.7Confident67.3Low57 Ų57106.1 Ų106.147%0.47158%0.581SS.*Hα-helixtrans-61.4-43.6176.100000112.2G299 A300 V301 M306 W307G299-A303 WeakPolarHBondContact O-CB 3.37Å; G299-A303 PolarHBondContact O-N 3.11Å; A300-A303 PolarHBondContact O-N 3.11Å; V301-A303 PolarHBondContact O-N 3.34Å; A303-M306 PolarHBondContact O-N 3.34Å; A303-W307 WeakPolarHBondContact O-CB 3.36Å; A303-W307 PolarHBondContact O-N 3.14Å
304A71.4Confident66.1Low58 Ų58109.7 Ų109.748%0.47959%0.591SS.*Hα-helixtrans-65.3-40.1177.100000112.5A300 V301 V302 W307 R308A300-A304 VanDerWaalsContact O-CB 3.31Å; A300-A304 WeakPolarHBondContact O-CB 3.31Å; A300-A304 PolarHBondContact O-N 3.09Å; V301-A304 PolarHBondContact O-N 2.84Å; V302-A304 PolarHBondContact O-N 3.41Å; A304-W307 PolarHBondContact O-N 3.48Å; A304-R308 PolarHBondContact O-N 3.43Å
305V71.5Confident64.6Low80 Ų80117.5 Ų117.549%0.48561%0.614SS.*Hα-helixtrans-67-42.5176.1170.60000111V301 V302 W307 R308 R309V301-V305 HydrophobicContact CG1-CG2 4.33Å; V301-V305 WeakPolarHBondContact O-CB 3.48Å; V301-V305 VanDerWaalsContact O-CG2 3.27Å; V301-V305 WeakPolarHBondContact O-CG2 3.31Å; V301-V305 PolarHBondContact O-N 2.83Å; V302-V305 PolarHBondContact O-N 3.13Å; V305-W307 VanDerWaalsContact C-N 3.34Å; V305-R308 PolarHBondContact O-N 3.26Å; V305-R309 PolarHBondContact O-N 3.37Å
306M71.7Confident62.8Low130 Ų130118.6 Ų118.664%0.6463%0.631SS**Hα-helixtrans-63.6-39.5174.7-73.9-176.668.500112V302 A303 R309 K310V302-M306 HydrophobicContact CG1-CG 4.46Å; V302-M306 HydrophobicContact CG1-SD 4.14Å; V302-M306 WeakPolarHBondContact O-CB 3.46Å; V302-M306 WeakPolarHBondContact O-CG 3.41Å; V302-M306 PolarHBondContact O-N 3.18Å; A303-M306 PolarHBondContact O-N 3.34Å; M306-R309 PolarHBondContact O-N 2.78Å; M306-K310 WeakPolarHBondContact O-CB 3.37Å; M306-K310 PolarHBondContact O-N 3.02Å
307W69.6Low60.7Low208 Ų208117.6 Ų117.679%0.78864%0.641SS**Hα-helixtrans-63.7-44174-160.7-57.1000111.4A303 A304 V305 K310 S311A303-W307 WeakPolarHBondContact O-CB 3.36Å; A303-W307 PolarHBondContact O-N 3.14Å; A304-W307 PolarHBondContact O-N 3.48Å; V305-W307 VanDerWaalsContact C-N 3.34Å; W307-K310 PolarHBondContact O-N 3.16Å; W307-S311 WeakPolarHBondContact O-CB 3.22Å; W307-S311 PolarHBondContact O-N 3.42Å; W307-S311 PolarHBondContact O-OG 3.02Å
308R64.9Low58.8Low199 Ų199118.5 Ų118.575%0.75166%0.657SS**Hα-helixtrans-60.1-46.8174.9-99.3-174.9177.7173.90.5111.9A304 V305 K310 S311 S312A304-R308 PolarHBondContact O-N 3.43Å; V305-R308 PolarHBondContact O-N 3.26Å; R308-K310 VanDerWaalsContact C-N 3.32Å; R308-K310 PolarHBondContact O-N 3.29Å; R308-S311 WeakPolarHBondContact CA-OG 3.41Å; R308-S311 PolarHBondContact O-N 3.14Å; R308-S311 VanDerWaalsContact O-N 3.12Å; R308-S311 PolarHBondContact O-OG 2.88Å; R308-S312 PolarHBondContact O-N 2.89Å; R308-S312 PolarHBondContact O-OG 3.1Å
309R57.8Low57Low196 Ų196124.5 Ų124.574%0.7467%0.671SS**Hα-helixtrans-60.5-39.1176.4-106.7-177.1167177.8-3.5112.7V305 M306 S311 S312V305-R309 PolarHBondContact O-N 3.37Å; M306-R309 PolarHBondContact O-N 2.78Å; R309-S311 VanDerWaalsContact C-N 3.31Å; R309-S311 PolarHBondContact O-N 3.39Å; R309-S312 PolarHBondContact O-OG 3.3Å; R309-S312 VanDerWaalsContact O-OG 3.05Å
310K53.6Low55.3Low182 Ų182127.4 Ų127.479%0.79169%0.685SS**Hα-helixtrans-71.6-25.4176.8-163.8173-178.8179.30112.9M306 W307 R308M306-K310 WeakPolarHBondContact O-CB 3.37Å; M306-K310 PolarHBondContact O-N 3.02Å; W307-K310 PolarHBondContact O-N 3.16Å; R308-K310 VanDerWaalsContact C-N 3.32Å; R308-K310 PolarHBondContact O-N 3.29Å
311S53.7Low53.4Low70 Ų70133.7 Ų133.749%0.4970%0.704SS.*Hα-helixtrans-86.2-23.9176.566.90000114.3W307 R308 R309W307-S311 WeakPolarHBondContact O-CB 3.22Å; W307-S311 PolarHBondContact O-N 3.42Å; W307-S311 PolarHBondContact O-OG 3.02Å; R308-S311 WeakPolarHBondContact CA-OG 3.41Å; R308-S311 PolarHBondContact O-N 3.14Å; R308-S311 VanDerWaalsContact O-N 3.12Å; R308-S311 PolarHBondContact O-OG 2.88Å; R309-S311 VanDerWaalsContact C-N 3.31Å; R309-S311 PolarHBondContact O-N 3.39Å
312S52.9Low51.3Low84 Ų84134.3 Ų134.359%0.58772%0.718SS**Hα-helixtrans-80-19177.956.50000114.1R308 R309 R314R308-S312 PolarHBondContact O-N 2.89Å; R308-S312 PolarHBondContact O-OG 3.1Å; R309-S312 PolarHBondContact O-OG 3.3Å; R309-S312 VanDerWaalsContact O-OG 3.05Å; S312-R314 PolarHBondContact O-N 3.09Å
313D47.2Very low49.5Very low155 Ų155135.1 Ų135.183%0.82973%0.733SS**THydrogen-bonded Turntrans-805.4176.4-104.6-3.9000114.1
314R46.9Very low47.8Very low227 Ų227137.8 Ų137.886%0.85775%0.748SS**THydrogen-bonded Turntrans-126.217.9-173.1-145.5-178.5175.6161.20.2116.6S312S312-R314 PolarHBondContact O-N 3.09Å
315K38.8Very low46.2Very low201 Ų201140.6 Ų140.687%0.87477%0.765SS**  trans-15586.4170.7-110.3165.6-172.1-173.80112.6
316G35Very low44.5Very low82 Ų82144.3 Ų144.385%0.84578%0.782SS**  trans-87.7135.5159.700000111.2
317G32.8Very low43.2Very low81 Ų81144.1 Ų144.184%0.83579%0.793SS**  trans83.2110147.100000119.6
318S33.9Very low41.7Very low122 Ų122138.6 Ų138.685%0.85379%0.792SS**  -176.7133.4119.2-173.60000111.9
319Y32.4Very low40.4Very low215 Ų215138.8 Ų138.884%0.84380%0.801SS**  trans-57.9162.7160.9-81.1-108.4000110.4
320S34.5Very low39.4Very low103 Ų103132.6 Ų132.672%0.7280%0.798SS**  cis-175.2149.132.98.90000111.8
321Q33.6Very low38.8Very low191 Ų191130.1 Ų130.189%0.89380%0.804SS**  trans69.3136.7132.2-147.9171.18.100125.8
322A31.5Very low38.1Very low97 Ų97134 Ų13480%0.80282%0.819SS**  trans76.8141.7159.800000117.7
323A36Very low37.3Very low100 Ų100135.4 Ų135.483%0.82682%0.824SS**  cis-151.6169.227.800000112.9
324S34.6Very low37Very low113 Ų113132.8 Ų132.879%0.7982%0.818SS**  trans-69.8154.8-178.863.40000115.3
325S37.4Very low36.7Very low117 Ų117129.5 Ų129.582%0.81882%0.816SS**  -172.9129.1124.454.20000111.8
326D36.6Very low36.9Very low157 Ų157126.5 Ų126.584%0.8482%0.815SS**  trans-56148.7169.7-74-52.6000114.2
327S43.7Very low37.2Very low126 Ų126126.8 Ų126.888%0.88181%0.809SS**  -157.9121.8128.1-29.10000110.1
328A37.8Very low37.5Very low92 Ų92128.8 Ų128.876%0.7681%0.809SS**  trans-88.3150.7169.300000111.1
329Q38.4Very low37.9Very low204 Ų204136.4 Ų136.495%0.95383%0.827SS**  trans145.1139.9135.3-87.2-176.7-29.500112.9
330G35.2Very low38.2Very low65 Ų65132.5 Ų132.567%0.6783%0.826SS**  trans128.863.616200000113.2
331S42.3Very low38.4Very low130 Ų130134 Ų13491%0.90983%0.832SS**  93.113689.8-62.50000113.4
332D38.6Very low38.7Very low153 Ų153130.8 Ų130.882%0.81883%0.828SS**  trans-95.8161-161.7-110-36.3000113.9
333V35.5Very low39.1Very low112 Ų112132.8 Ų132.868%0.67983%0.83SS**  trans72.1120.4136.2171.70000120.6
334S41.5Very low39.3Very low101 Ų101134.9 Ų134.971%0.70683%0.83SS**  168.5115.3114.9-68.50000109.2
335L41.3Very low39.6Very low158 Ų158136.3 Ų136.383%0.82783%0.833SS**  45.112798.2-70.4166.6000112.9
336T41.7Very low39.8Very low137 Ų137137.7 Ų137.784%0.8483%0.834SS**  -168.4145.177.2-36.40000110.9
337A41.2Very low40Very low88 Ų88136.2 Ų136.273%0.72783%0.833SS**  trans-91.7151.916200000110.5
338C40.1Very low39.7Very low124 Ų124137.1 Ų137.184%0.83883%0.829SS**  trans-163.1127.5143.8-122.60000112.5
339K42.7Very low39.9Very low281 Ų281141.2 Ų141.2100%1.22284%0.835SS**  trans42.50151-79.9178.3175.9172.70120.7

Retrieved 339 of 339 residues in 1486.1 ms (Link to these results)

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