A0A060A472_HUMAN Loading...

Truncated MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060A472, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 72 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
1S92.7Very high95.9Very high164 Ų16498.2 Ų98.2100%1.14752%0.521SS*.  0138.80-1720000106.8
2H96.6Very high95.4Very high154 Ų15497.7 Ų97.771%0.71353%0.531SS*.  trans-118.4151.9177.8-64.8-81.5000108.9D28H2-D28 WeakPolarHBondContact CA-OD1 3.14Å; H2-D28 WeakPolarHBondContact CB-OD1 3.5Å; H2-D28 IonicContact CE1-OD2 2.9Å; H2-D28 IonicContact CG-OD1 2.79Å; H2-D28 IonicContact CG-OD2 3.13Å; H2-D28 IonicContact ND1-OD1 3.77Å; H2-D28 IonicContact ND1-OD2 3.86Å; H2-D28 PolarHBondContact ND1-OD2 2.96Å
3S97.8Very high94.9Very high42 Ų4296.4 Ų96.429%0.29451%0.514SS..  trans-139.2142.5179.666.50000112.5R5 V27 D28S3-R5 PolarHBondContact OG-NH2 3.27Å; S3-V27 WeakPolarHBondContact O-CA 3.39Å; S3-D28 PolarHBondContact N-OD1 2.91Å; S3-D28 PolarHBondContact O-N 3.24Å
4M97.6Very high94.1Very high119 Ų11998.4 Ų98.459%0.58654%0.535SS*.EExtended strand (participates in β ladder)trans-116.2133.5170.9-175.9179.6-75.900108.6Y6 Y26 V27 F32M4-Y6 HydrophobicContact CG-CD2 4.42Å; M4-Y6 HydrophobicContact CG-CE2 3.98Å; M4-Y6 HydrophobicContact SD-CE2 3.82Å; M4-Y26 CarbonylContact C-O 3.57Å; M4-Y26 VanDerWaalsContact CA-O 3.27Å; M4-Y26 WeakPolarHBondContact CA-O 3.18Å; M4-V27 HydrophobicContact CE-CG2 3.68Å; M4-V27 HydrophobicContact CG-CG2 4.27Å; M4-F32 HydrophobicContact CE-CZ 4.41Å
5R98.1Very high93.4Very high99 Ų9997.6 Ų97.637%0.37456%0.559SS.*EExtended strand (participates in β ladder)trans-137.4137-178.6-55.9-174.8-152.9116.18.7110.4S3 F7 G25 Y26 D29S3-R5 PolarHBondContact OG-NH2 3.27Å; R5-F7 HydrophobicContact CB-CE2 3.91Å; R5-F7 HydrophobicContact CB-CZ 4.31Å; R5-G25 CarbonylContact O-C 3.58Å; R5-G25 WeakPolarHBondContact O-CA 3.46Å; R5-Y26 PolarHBondContact N-O 2.85Å; R5-Y26 PolarHBondContact O-N 2.67Å; R5-D29 IonicContact CZ-OD1 3.59Å; R5-D29 IonicContact NH1-OD1 3.73Å; R5-D29 PolarHBondContact NH1-OD1 2.85Å; R5-D29 IonicContact NH2-OD1 3.63Å
6Y97.3Very high92.3Very high82 Ų82105.5 Ų105.532%0.32258%0.577SS.*EExtended strand (participates in β ladder)trans-116.5130.6170.1-74.9-98000109.5M4 T23 V24 F32 V33M4-Y6 HydrophobicContact CG-CD2 4.42Å; M4-Y6 HydrophobicContact CG-CE2 3.98Å; M4-Y6 HydrophobicContact SD-CE2 3.82Å; Y6-T23 HydrophobicContact CD1-CG2 4.06Å; Y6-V24 WeakPolarHBondContact CA-O 3.27Å; Y6-F32 HydrophobicContact CE1-CZ 4.5Å; Y6-F32 HydrophobicContact CE2-CZ 4.46Å; Y6-F32 AromaticContact CZ-CZ 3.88Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.44Å; Y6-V33 HydrophobicContact CE1-CG2 3.97Å
7F96.8Very high91.7Very high106 Ų106102.9 Ų102.947%0.46558%0.58SS.*EExtended strand (participates in β ladder)trans-110.9126.9172.8-58.8-91.8000108.8R5 T23 V24 Y26R5-F7 HydrophobicContact CB-CE2 3.91Å; R5-F7 HydrophobicContact CB-CZ 4.31Å; F7-T23 WeakPolarHBondContact O-CA 3.5Å; F7-V24 HydrophobicContact CB-CG2 3.81Å; F7-V24 HydrophobicContact CD2-CG2 4.28Å; F7-V24 HydrophobicContact CG-CG2 4.49Å; F7-V24 PolarHBondContact N-O 2.68Å; F7-V24 PolarHBondContact O-N 3.01Å; F7-Y26 AromaticContact CD2-CD2 3.86Å; F7-Y26 HydrophobicContact CD2-CD2 3.86Å; F7-Y26 HydrophobicContact CD2-CE2 4Å; F7-Y26 AromaticContact CE2-CD2 3.87Å; F7-Y26 HydrophobicContact CE2-CD2 3.87Å; F7-Y26 HydrophobicContact CE2-CE2 4.21Å
8H95.5Very high91.4Very high100 Ų100106 Ų10646%0.46359%0.589SS.*EExtended strand (participates in β ladder)trans-112.9127.9178.4-54.988000107.5F21 T23H8-F21 HydrophobicContact CB-CE2 4.18Å; H8-F21 HydrophobicContact CB-CZ 4.2Å; H8-F21 AromaticContact CD2-CZ 3.87Å; H8-T23 VanDerWaalsContact CD2-CG2 3.48Å; H8-T23 WeakPolarHBondContact CD2-CG2 3.24Å; H8-T23 PolarHBondContact CD2-OG1 2.88Å; H8-T23 VanDerWaalsContact CD2-OG1 3.24Å
9T95.6Very high91.3Very high70 Ų70102.8 Ų102.843%0.42957%0.574SS.*EExtended strand (participates in β ladder)trans-129.5120.4-180-54.60000108.4V11 F21 I22T9-V11 HydrophobicContact CG2-CG2 3.98Å; T9-F21 WeakPolarHBondContact O-CA 3.46Å; T9-I22 PolarHBondContact N-O 2.78Å; T9-I22 PolarHBondContact O-N 2.91Å
10S93.5Very high91.4Very high72 Ų72101.3 Ų101.350%0.50356%0.558SS.*EExtended strand (participates in β ladder)trans-109.5130169.7-171.90000109R20S10-R20 CarbonylContact C-O 3.5Å; S10-R20 WeakPolarHBondContact CA-O 3.26Å
11V92.9Very high91.6Very high72 Ų7297 Ų9744%0.43653%0.534SS..EExtended strand (participates in β ladder)trans-121.3108.7-179.8-174.40000108.8T9 P19 R20T9-V11 HydrophobicContact CG2-CG2 3.98Å; V11-P19 WeakPolarHBondContact O-CA 3.32Å; V11-R20 PolarHBondContact N-O 3.47Å; V11-R20 PolarHBondContact O-N 2.87Å
12S90.6Very high91.8Very high92 Ų9290.8 Ų90.864%0.64349%0.488SS*.  trans-63.2145.7175.661.30000111.7
13R88.7Confident91.8Very high81 Ų8183.5 Ų83.531%0.30645%0.454SS..  trans-131.580.6-178.9-69.6177.3169.3174-6.9112G15 R16 D38R13-G15 PolarHBondContact O-N 2.79Å; R13-G15 VanDerWaalsContact O-N 3.1Å; R13-R16 HydrophobicContact CB-CB 4.19Å; R13-R16 PolarHBondContact O-N 2.94Å; R13-R16 VanDerWaalsContact O-N 3.07Å; R13-D38 IonicContact CZ-OD1 2.7Å; R13-D38 IonicContact CZ-OD2 3.54Å; R13-D38 IonicContact NH1-OD1 3.67Å; R13-D38 PolarHBondContact NH1-OD1 3.32Å; R13-D38 IonicContact NH1-OD2 3.35Å; R13-D38 PolarHBondContact NH1-OD2 2.98Å; R13-D38 IonicContact NH2-OD1 3.81Å; R13-D38 IonicContact NH2-OD2 3.98Å; R13-D38 PolarHBondContact NH2-OD2 2.91Å
14P83.3Confident91.8Very high124 Ų12482.7 Ų82.781%0.80545%0.448SS*.THydrogen-bonded Turntrans-54.1120.9178.1-23.132.9000110.9R16P14-R16 PolarHBondContact O-N 2.91Å
15G83.6Confident91.9Very high87 Ų8777 Ų7790%0.89742%0.42SS*.THydrogen-bonded Turntrans77.86.6177.800000116.7R13R13-G15 PolarHBondContact O-N 2.79Å; R13-G15 VanDerWaalsContact O-N 3.1Å
16R76.7Confident91.9Very high224 Ų22475.7 Ų75.785%0.84542%0.415SS*.SBendtrans-127.119.5-179.3-68.7-172.2178.6-169.40.3115R13 P14R13-R16 HydrophobicContact CB-CB 4.19Å; R13-R16 PolarHBondContact O-N 2.94Å; R13-R16 VanDerWaalsContact O-N 3.07Å; P14-R16 PolarHBondContact O-N 2.91Å
17G81.4Confident91.9Very high61 Ų6173.5 Ų73.563%0.62941%0.41SS*.SBendtrans96.1-154.2175.400000113.8
18E86.2Confident91.9Very high159 Ų15971.3 Ų71.374%0.74340%0.403SS*.SBendtrans-58.3148-177.8-68.5-62.7144.700112.6
19P90Very high92Very high46 Ų4672 Ų7230%0.29941%0.41SS..PPolyproline II helixtrans-56.7145.7171.8-22.233.4000111.8V11V11-P19 WeakPolarHBondContact O-CA 3.32Å
20R93.4Very high92.1Very high71 Ų7172.1 Ų72.127%0.26841%0.411SS..EExtended strand (participates in β ladder)trans-81.2126.4169.1-178.8-176.8-173.4178.11.8109.4S10 V11 I22 D36 S37 D38S10-R20 CarbonylContact C-O 3.5Å; S10-R20 WeakPolarHBondContact CA-O 3.26Å; V11-R20 PolarHBondContact N-O 3.47Å; V11-R20 PolarHBondContact O-N 2.87Å; R20-I22 HydrophobicContact CG-CG1 4.18Å; R20-D36 IonicContact CZ-OD1 3.95Å; R20-D36 IonicContact CZ-OD2 2.83Å; R20-D36 IonicContact NE-OD1 3.62Å; R20-D36 PolarHBondContact NE-OD1 2.88Å; R20-D36 IonicContact NE-OD2 3.94Å; R20-D36 IonicContact NH2-OD1 2.67Å; R20-D36 PolarHBondContact NH2-OD1 2.83Å; R20-D36 IonicContact NH2-OD2 3.62Å; R20-D36 PolarHBondContact NH2-OD2 2.79Å; R20-S37 WeakPolarHBondContact CA-OG 3.34Å; R20-D38 WeakPolarHBondContact CD-OD2 3.43Å; R20-D38 HydrophobicContact CG-CB 4.3Å; R20-D38 IonicContact NE-OD2 2.64Å
21F94.8Very high92.3Very high12 Ų1271 Ų715%0.05340%0.4CS..EExtended strand (participates in β ladder)trans-112129.3174.9-174.8-105.8000111.1H8 T9 T23 F35 S37 N69 T70H8-F21 HydrophobicContact CB-CE2 4.18Å; H8-F21 HydrophobicContact CB-CZ 4.2Å; H8-F21 AromaticContact CD2-CZ 3.87Å; T9-F21 WeakPolarHBondContact O-CA 3.46Å; F21-T23 WeakPolarHBondContact CE1-OG1 3.31Å; F21-T23 WeakPolarHBondContact CZ-OG1 3.47Å; F21-F35 HydrophobicContact CD1-CD1 4.04Å; F21-F35 HydrophobicContact CD1-CE1 4.05Å; F21-F35 HydrophobicContact CE1-CD1 4.49Å; F21-S37 PolarHBondContact N-OG 3.26Å; F21-S37 PolarHBondContact O-N 3.21Å; F21-S37 PolarHBondContact O-OG 3.2Å; F21-N69 HydrophobicContact CE1-CB 3.87Å; F21-N69 HydrophobicContact CZ-CB 3.64Å; F21-T70 HydrophobicContact CB-CG2 3.75Å; F21-T70 WeakPolarHBondContact CD1-OG1 3.47Å; F21-T70 HydrophobicContact CG-CG2 4.42Å
22I96.5Very high92.5Very high33 Ų3367.9 Ų67.917%0.16938%0.38CS..EExtended strand (participates in β ladder)trans-126.6135.2176.8-56.7169.1000108.3T9 R20 V24 F35T9-I22 PolarHBondContact N-O 2.78Å; T9-I22 PolarHBondContact O-N 2.91Å; R20-I22 HydrophobicContact CG-CG1 4.18Å; I22-V24 HydrophobicContact CG2-CG1 4.3Å; I22-F35 WeakPolarHBondContact CA-O 3.47Å; I22-F35 WeakPolarHBondContact CG2-O 3.08Å
23T97.8Very high92.9Very high1 Ų163.5 Ų63.51%0.00635%0.349CS..EExtended strand (participates in β ladder)trans-124.7134.2168-57.20000109.9Y6 F7 H8 F21 R34 F35Y6-T23 HydrophobicContact CD1-CG2 4.06Å; F7-T23 WeakPolarHBondContact O-CA 3.5Å; H8-T23 VanDerWaalsContact CD2-CG2 3.48Å; H8-T23 WeakPolarHBondContact CD2-CG2 3.24Å; H8-T23 PolarHBondContact CD2-OG1 2.88Å; H8-T23 VanDerWaalsContact CD2-OG1 3.24Å; F21-T23 WeakPolarHBondContact CE1-OG1 3.31Å; F21-T23 WeakPolarHBondContact CZ-OG1 3.47Å; T23-R34 CarbonylContact O-C 3.57Å; T23-R34 VanDerWaalsContact O-CA 3.3Å; T23-R34 WeakPolarHBondContact O-CA 3.31Å; T23-F35 PolarHBondContact N-O 3.31Å; T23-F35 PolarHBondContact O-N 3.21Å
24V98.1Very high93.3Very high26 Ų2663.3 Ų63.316%0.15835%0.349CS..EExtended strand (participates in β ladder)trans-127.7136.7173.4-69.90000110.5Y6 F7 I22 Y26 L31 V33 R34Y6-V24 WeakPolarHBondContact CA-O 3.27Å; F7-V24 HydrophobicContact CB-CG2 3.81Å; F7-V24 HydrophobicContact CD2-CG2 4.28Å; F7-V24 HydrophobicContact CG-CG2 4.49Å; F7-V24 PolarHBondContact N-O 2.68Å; F7-V24 PolarHBondContact O-N 3.01Å; I22-V24 HydrophobicContact CG2-CG1 4.3Å; V24-Y26 HydrophobicContact CB-CE2 4.07Å; V24-Y26 HydrophobicContact CG2-CD2 4.49Å; V24-Y26 HydrophobicContact CG2-CE2 3.76Å; V24-L31 HydrophobicContact CB-CD1 3.64Å; V24-L31 HydrophobicContact CG1-CD1 3.97Å; V24-V33 WeakPolarHBondContact CA-O 3.1Å; V24-R34 HydrophobicContact CG1-CB 4.32Å; V24-R34 HydrophobicContact CG1-CG 4.04Å
25G98.2Very high94Very high0 Ų057.6 Ų57.60%031%0.311CS..EExtended strand (participates in β ladder)trans-114.5133.5178.900000111.2R5 L31 F32 V33R5-G25 CarbonylContact O-C 3.58Å; R5-G25 WeakPolarHBondContact O-CA 3.46Å; G25-L31 WeakPolarHBondContact O-CA 3.42Å; G25-L31 WeakPolarHBondContact O-CD1 3.49Å; G25-F32 VanDerWaalsContact C-CE1 3.41Å; G25-F32 WeakPolarHBondContact O-CD1 3.1Å; G25-F32 PolarHBondContact O-N 3.09Å; G25-V33 PolarHBondContact N-O 2.67Å; G25-V33 PolarHBondContact O-N 2.64Å
26Y98.4Very high94.7Very high70 Ų7054.4 Ų54.428%0.27527%0.274SS..EExtended strand (participates in β ladder)trans-120.3140.6178.1-69.1-96.1000111M4 R5 F7 V24 D29 T30 L31M4-Y26 CarbonylContact C-O 3.57Å; M4-Y26 VanDerWaalsContact CA-O 3.27Å; M4-Y26 WeakPolarHBondContact CA-O 3.18Å; R5-Y26 PolarHBondContact N-O 2.85Å; R5-Y26 PolarHBondContact O-N 2.67Å; F7-Y26 AromaticContact CD2-CD2 3.86Å; F7-Y26 HydrophobicContact CD2-CD2 3.86Å; F7-Y26 HydrophobicContact CD2-CE2 4Å; F7-Y26 AromaticContact CE2-CD2 3.87Å; F7-Y26 HydrophobicContact CE2-CD2 3.87Å; F7-Y26 HydrophobicContact CE2-CE2 4.21Å; V24-Y26 HydrophobicContact CB-CE2 4.07Å; V24-Y26 HydrophobicContact CG2-CD2 4.49Å; V24-Y26 HydrophobicContact CG2-CE2 3.76Å; Y26-D29 WeakPolarHBondContact CD1-O 3.41Å; Y26-T30 CarbonylContact C-O 3.56Å; Y26-T30 VanDerWaalsContact CA-O 3.24Å; Y26-T30 WeakPolarHBondContact CA-O 3.36Å; Y26-L31 HydrophobicContact CD1-CB 4.07Å; Y26-L31 HydrophobicContact CD2-CD1 4.34Å; Y26-L31 HydrophobicContact CE1-CB 3.67Å; Y26-L31 HydrophobicContact CE1-CD1 4.2Å; Y26-L31 HydrophobicContact CE2-CD1 3.88Å
27V98.3Very high95.5Very high37 Ų3745.1 Ų45.122%0.22424%0.243CC..EExtended strand (participates in β ladder)trans-119.7121162.7174.70000106.8S3 M4 D29 T30 F32 W50S3-V27 WeakPolarHBondContact O-CA 3.39Å; M4-V27 HydrophobicContact CE-CG2 3.68Å; M4-V27 HydrophobicContact CG-CG2 4.27Å; V27-D29 VanDerWaalsContact C-N 3.31Å; V27-D29 PolarHBondContact O-N 2.82Å; V27-T30 PolarHBondContact N-O 3.38Å; V27-T30 WeakPolarHBondContact O-CA 3.48Å; V27-T30 VanDerWaalsContact O-CB 3.26Å; V27-T30 WeakPolarHBondContact O-CB 3.36Å; V27-T30 PolarHBondContact O-N 3Å; V27-F32 HydrophobicContact CB-CD1 4.49Å; V27-F32 HydrophobicContact CG2-CD1 3.79Å; V27-F32 HydrophobicContact CG2-CE1 3.8Å; V27-F32 HydrophobicContact CG2-CG 4.39Å; V27-F32 HydrophobicContact CG2-CZ 4.38Å; V27-W50 HydrophobicContact CB-CH2 4.37Å; V27-W50 HydrophobicContact CB-CZ2 4.36Å; V27-W50 HydrophobicContact CG2-CH2 4Å; V27-W50 HydrophobicContact CG2-CZ2 4.46Å
28D97.2Very high96.1Very high59 Ų5945.6 Ų45.632%0.31623%0.231SC..THydrogen-bonded Turntrans46.852-178-58.7-35000113.2H2 S3 T30H2-D28 WeakPolarHBondContact CA-OD1 3.14Å; H2-D28 WeakPolarHBondContact CB-OD1 3.5Å; H2-D28 IonicContact CE1-OD2 2.9Å; H2-D28 IonicContact CG-OD1 2.79Å; H2-D28 IonicContact CG-OD2 3.13Å; H2-D28 IonicContact ND1-OD1 3.77Å; H2-D28 IonicContact ND1-OD2 3.86Å; H2-D28 PolarHBondContact ND1-OD2 2.96Å; S3-D28 PolarHBondContact N-OD1 2.91Å; S3-D28 PolarHBondContact O-N 3.24Å; D28-T30 PolarHBondContact O-N 2.87Å
29D96.3Very high96.5Very high114 Ų11439.9 Ų39.961%0.6121%0.211SC*.THydrogen-bonded Turntrans63.75.9-178.9-53.4-51000115.1R5 Y26 V27R5-D29 IonicContact CZ-OD1 3.59Å; R5-D29 IonicContact NH1-OD1 3.73Å; R5-D29 PolarHBondContact NH1-OD1 2.85Å; R5-D29 IonicContact NH2-OD1 3.63Å; Y26-D29 WeakPolarHBondContact CD1-O 3.41Å; V27-D29 VanDerWaalsContact C-N 3.31Å; V27-D29 PolarHBondContact O-N 2.82Å
30T97.8Very high96.6Very high73 Ų7345.2 Ų45.245%0.44824%0.243SC..EExtended strand (participates in β ladder)trans-95119.2172.9-56.70000110.9Y26 V27 D28 F32Y26-T30 CarbonylContact C-O 3.56Å; Y26-T30 VanDerWaalsContact CA-O 3.24Å; Y26-T30 WeakPolarHBondContact CA-O 3.36Å; V27-T30 PolarHBondContact N-O 3.38Å; V27-T30 WeakPolarHBondContact O-CA 3.48Å; V27-T30 VanDerWaalsContact O-CB 3.26Å; V27-T30 WeakPolarHBondContact O-CB 3.36Å; V27-T30 PolarHBondContact O-N 3Å; D28-T30 PolarHBondContact O-N 2.87Å; T30-F32 PolarHBondContact O-N 2.82Å
31L98.1Very high96.6Very high50 Ų5045.9 Ų45.926%0.26226%0.258SS..EExtended strand (participates in β ladder)trans-65.5121.8174.5-179.272.4000109.6V24 G25 Y26 R47V24-L31 HydrophobicContact CB-CD1 3.64Å; V24-L31 HydrophobicContact CG1-CD1 3.97Å; G25-L31 WeakPolarHBondContact O-CA 3.42Å; G25-L31 WeakPolarHBondContact O-CD1 3.49Å; Y26-L31 HydrophobicContact CD1-CB 4.07Å; Y26-L31 HydrophobicContact CD2-CD1 4.34Å; Y26-L31 HydrophobicContact CE1-CB 3.67Å; Y26-L31 HydrophobicContact CE1-CD1 4.2Å; Y26-L31 HydrophobicContact CE2-CD1 3.88Å; L31-R47 HydrophobicContact CD2-CB 3.95Å; L31-R47 HydrophobicContact CD2-CG 3.88Å; L31-R47 HydrophobicContact CG-CB 3.8Å; L31-R47 HydrophobicContact CG-CG 4.02Å; L31-R47 CarbonylContact O-C 3.56Å
32F98.1Very high96.6Very high5 Ų547.1 Ų47.12%0.02227%0.268CS..EExtended strand (participates in β ladder)trans-118.8-24.7-178.481.3-81.7000114M4 Y6 G25 V27 T30 R47 A48 W50 I51M4-F32 HydrophobicContact CE-CZ 4.41Å; Y6-F32 HydrophobicContact CE1-CZ 4.5Å; Y6-F32 HydrophobicContact CE2-CZ 4.46Å; Y6-F32 AromaticContact CZ-CZ 3.88Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.44Å; G25-F32 VanDerWaalsContact C-CE1 3.41Å; G25-F32 WeakPolarHBondContact O-CD1 3.1Å; G25-F32 PolarHBondContact O-N 3.09Å; V27-F32 HydrophobicContact CB-CD1 4.49Å; V27-F32 HydrophobicContact CG2-CD1 3.79Å; V27-F32 HydrophobicContact CG2-CE1 3.8Å; V27-F32 HydrophobicContact CG2-CG 4.39Å; V27-F32 HydrophobicContact CG2-CZ 4.38Å; T30-F32 PolarHBondContact O-N 2.82Å; F32-R47 PolarHBondContact O-N 3.2Å; F32-A48 HydrophobicContact CB-CB 4.3Å; F32-W50 HydrophobicContact CB-CH2 3.28Å; F32-W50 HydrophobicContact CB-CZ2 3.2Å; F32-W50 HydrophobicContact CB-CZ3 4.27Å; F32-W50 HydrophobicContact CD1-CH2 4.21Å; F32-W50 AromaticContact CD2-CH2 3.44Å; F32-W50 HydrophobicContact CD2-CH2 3.44Å; F32-W50 VanDerWaalsContact CD2-CH2 3.44Å; F32-W50 HydrophobicContact CD2-CZ2 4.29Å; F32-W50 AromaticContact CD2-CZ3 3.91Å; F32-W50 HydrophobicContact CD2-CZ3 3.91Å; F32-W50 HydrophobicContact CE2-CH2 4.29Å; F32-W50 AromaticContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CH2 3.4Å; F32-W50 AromaticContact CG-CZ2 3.86Å; F32-W50 HydrophobicContact CG-CZ2 3.86Å; F32-W50 HydrophobicContact CG-CZ3 4.31Å; F32-I51 HydrophobicContact CD2-CB 4.34Å; F32-I51 HydrophobicContact CD2-CD1 3.95Å; F32-I51 HydrophobicContact CD2-CG1 3.98Å; F32-I51 HydrophobicContact CE2-CD1 4.12Å; F32-I51 HydrophobicContact CE2-CG1 4.48Å; F32-I51 VanDerWaalsContact O-CG2 3.31Å; F32-I51 WeakPolarHBondContact O-CG2 3.37Å
33V98.2Very high96.7Very high0 Ų052.5 Ų52.50%029%0.286CS..EExtended strand (participates in β ladder)trans-140.5149.5175-72.10000112.6Y6 V24 G25 K44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 3.97Å; V24-V33 WeakPolarHBondContact CA-O 3.1Å; G25-V33 PolarHBondContact N-O 2.67Å; G25-V33 PolarHBondContact O-N 2.64Å; V33-K44 HydrophobicContact CB-CD 4.45Å; V33-K44 HydrophobicContact CB-CG 4.25Å; V33-K44 HydrophobicContact CG1-CG 4.43Å; V33-E45 VanDerWaalsContact CA-O 3.31Å; V33-E45 WeakPolarHBondContact CA-O 3.3Å; V33-I51 HydrophobicContact CG1-CG1 4.24Å; V33-W59 HydrophobicContact CG1-CH2 4.03Å; V33-W59 HydrophobicContact CG1-CZ3 3.88Å
34R97.9Very high96.7Very high78 Ų7852.8 Ų52.829%0.29429%0.287SS..EExtended strand (participates in β ladder)trans-139.6146.1171.9178.6173.4170.3168-3.2111.5T23 V24 D36 K44 E45 R47T23-R34 CarbonylContact O-C 3.57Å; T23-R34 VanDerWaalsContact O-CA 3.3Å; T23-R34 WeakPolarHBondContact O-CA 3.31Å; V24-R34 HydrophobicContact CG1-CB 4.32Å; V24-R34 HydrophobicContact CG1-CG 4.04Å; R34-D36 IonicContact CZ-OD2 2.67Å; R34-D36 IonicContact NE-OD2 2.68Å; R34-D36 IonicContact NH2-OD2 3.69Å; R34-D36 PolarHBondContact NH2-OD2 3.35Å; R34-K44 WeakPolarHBondContact O-CA 3.49Å; R34-E45 PolarHBondContact N-O 3.13Å; R34-E45 PolarHBondContact O-N 2.7Å; R34-R47 HydrophobicContact CB-CG 3.95Å
35F97.9Very high96.6Very high3 Ų354.1 Ų54.11%0.01329%0.291CS..EExtended strand (participates in β ladder)trans-127.8141.7164.4177.3-92.7000108.8F21 I22 T23 P42 R43 K44 S66 K67F21-F35 HydrophobicContact CD1-CD1 4.04Å; F21-F35 HydrophobicContact CD1-CE1 4.05Å; F21-F35 HydrophobicContact CE1-CD1 4.49Å; I22-F35 WeakPolarHBondContact CA-O 3.47Å; I22-F35 WeakPolarHBondContact CG2-O 3.08Å; T23-F35 PolarHBondContact N-O 3.31Å; T23-F35 PolarHBondContact O-N 3.21Å; F35-P42 HydrophobicContact CE2-CB 3.85Å; F35-P42 HydrophobicContact CZ-CB 3.8Å; F35-R43 WeakPolarHBondContact CD2-O 3.38Å; F35-K44 HydrophobicContact CB-CD 3.82Å; F35-S66 VanDerWaalsContact CG-CB 3.42Å; F35-K67 HydrophobicContact CE2-CG 4.22Å; F35-K67 HydrophobicContact CZ-CG 4.03Å
36D97Very high96.6Very high21 Ų2156.4 Ų56.411%0.11231%0.306CS..EExtended strand (participates in β ladder)trans-139.5116.8176.4-160.4-27000108.8R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.95Å; R20-D36 IonicContact CZ-OD2 2.83Å; R20-D36 IonicContact NE-OD1 3.62Å; R20-D36 PolarHBondContact NE-OD1 2.88Å; R20-D36 IonicContact NE-OD2 3.94Å; R20-D36 IonicContact NH2-OD1 2.67Å; R20-D36 PolarHBondContact NH2-OD1 2.83Å; R20-D36 IonicContact NH2-OD2 3.62Å; R20-D36 PolarHBondContact NH2-OD2 2.79Å; R34-D36 IonicContact CZ-OD2 2.67Å; R34-D36 IonicContact NE-OD2 2.68Å; R34-D36 IonicContact NH2-OD2 3.69Å; R34-D36 PolarHBondContact NH2-OD2 3.35Å; D36-D38 PolarHBondContact O-N 2.83Å; D36-D38 PolarHBondContact OD1-N 3.35Å; D36-A39 HydrophobicContact CB-CB 4.49Å; D36-A39 WeakPolarHBondContact O-CB 3.35Å; D36-A39 PolarHBondContact O-N 2.9Å
37S94.4Very high96.6Very high28 Ų2858.4 Ų58.420%0.19631%0.313CS..THydrogen-bonded Turntrans-66.3-20.5-177.969.70000113R20 F21 P42R20-S37 WeakPolarHBondContact CA-OG 3.34Å; F21-S37 PolarHBondContact N-OG 3.26Å; F21-S37 PolarHBondContact O-N 3.21Å; F21-S37 PolarHBondContact O-OG 3.2Å; S37-P42 WeakPolarHBondContact O-CG 3.49Å
38D93.8Very high96.5Very high72 Ų7257 Ų5739%0.38531%0.305SS..THydrogen-bonded Turntrans-85.5-7179.4-86.415.7000113.5R13 R20 D36R13-D38 IonicContact CZ-OD1 2.7Å; R13-D38 IonicContact CZ-OD2 3.54Å; R13-D38 IonicContact NH1-OD1 3.67Å; R13-D38 PolarHBondContact NH1-OD1 3.32Å; R13-D38 IonicContact NH1-OD2 3.35Å; R13-D38 PolarHBondContact NH1-OD2 2.98Å; R13-D38 IonicContact NH2-OD1 3.81Å; R13-D38 IonicContact NH2-OD2 3.98Å; R13-D38 PolarHBondContact NH2-OD2 2.91Å; R20-D38 WeakPolarHBondContact CD-OD2 3.43Å; R20-D38 HydrophobicContact CG-CB 4.3Å; R20-D38 IonicContact NE-OD2 2.64Å; D36-D38 PolarHBondContact O-N 2.83Å; D36-D38 PolarHBondContact OD1-N 3.35Å
39A94Very high96.5Very high38 Ų3859.4 Ų59.431%0.31432%0.324SS..SBendtrans-63.8147.5177.600000110.5D36 S41 P42D36-A39 HydrophobicContact CB-CB 4.49Å; D36-A39 WeakPolarHBondContact O-CB 3.35Å; D36-A39 PolarHBondContact O-N 2.9Å; A39-S41 PolarHBondContact O-N 3.03Å; A39-S41 VanDerWaalsContact O-N 3.08Å; A39-P42 WeakPolarHBondContact O-CD 3.34Å; A39-P42 VanDerWaalsContact O-CG 3.26Å; A39-P42 WeakPolarHBondContact O-CG 3.38Å
40T92.8Very high96.5Very high159 Ų15959.3 Ų59.398%0.97532%0.315SS*.SBendtrans-55-31.7178.2-51.80000112.9
41S94.1Very high96.5Very high84 Ų8456.2 Ų56.259%0.58730%0.296SS*.SBendtrans-132.390.8171-174.80000108.6A39 R43A39-S41 PolarHBondContact O-N 3.03Å; A39-S41 VanDerWaalsContact O-N 3.08Å; S41-R43 PolarHBondContact O-N 3.07Å; S41-R43 VanDerWaalsContact O-N 3.1Å
42P94.8Very high96.4Very high39 Ų3960 Ų6025%0.25331%0.312SS..  trans-64.7112.3-176.7-22.534.1000111.4F35 S37 A39 K67F35-P42 HydrophobicContact CE2-CB 3.85Å; F35-P42 HydrophobicContact CZ-CB 3.8Å; S37-P42 WeakPolarHBondContact O-CG 3.49Å; A39-P42 WeakPolarHBondContact O-CD 3.34Å; A39-P42 VanDerWaalsContact O-CG 3.26Å; A39-P42 WeakPolarHBondContact O-CG 3.38Å; P42-K67 VanDerWaalsContact O-CE 3.26Å; P42-K67 WeakPolarHBondContact O-CE 3.26Å
43R97Very high96.3Very high146 Ų14667.3 Ų67.355%0.55135%0.347SS*.  trans-145.3161.3176.266.2179.6179.2160-0.4111.1F35 S41 E45 T63F35-R43 WeakPolarHBondContact CD2-O 3.38Å; S41-R43 PolarHBondContact O-N 3.07Å; S41-R43 VanDerWaalsContact O-N 3.1Å; R43-E45 HydrophobicContact CG-CG 3.94Å; R43-E45 IonicContact NE-OE1 2.92Å; R43-T63 HydrophobicContact CB-CG2 4.16Å
44K97.6Very high96.3Very high7 Ų771 Ų713%0.0336%0.364CS..  trans-73130.2169.1-155.972.4153.3-163.60108.3V33 R34 F35 W59 E62 T63 S66V33-K44 HydrophobicContact CB-CD 4.45Å; V33-K44 HydrophobicContact CB-CG 4.25Å; V33-K44 HydrophobicContact CG1-CG 4.43Å; R34-K44 WeakPolarHBondContact O-CA 3.49Å; F35-K44 HydrophobicContact CB-CD 3.82Å; K44-W59 HydrophobicContact CB-CE3 4.12Å; K44-W59 HydrophobicContact CB-CZ3 4.43Å; K44-W59 HydrophobicContact CG-CE3 4.37Å; K44-W59 HydrophobicContact CG-CZ3 4.23Å; K44-E62 HydrophobicContact CB-CB 3.94Å; K44-E62 HydrophobicContact CD-CB 4.45Å; K44-E62 HydrophobicContact CG-CB 3.83Å; K44-T63 PolarHBondContact N-OG1 2.92Å; K44-S66 PolarHBondContact NZ-OG 3.35Å; K44-S66 VanDerWaalsContact NZ-OG 3.09Å
45E97.4Very high96.2Very high54 Ų5468.6 Ų68.625%0.25236%0.363SS..EExtended strand (participates in β ladder)trans-121.8140.7-175-63.8-177.6146.600111.4V33 R34 R43 R47V33-E45 VanDerWaalsContact CA-O 3.31Å; V33-E45 WeakPolarHBondContact CA-O 3.3Å; R34-E45 PolarHBondContact N-O 3.13Å; R34-E45 PolarHBondContact O-N 2.7Å; R43-E45 HydrophobicContact CG-CG 3.94Å; R43-E45 IonicContact NE-OE1 2.92Å; E45-R47 IonicContact OE2-CZ 3.57Å; E45-R47 IonicContact OE2-NH2 3.66Å; E45-R47 PolarHBondContact OE2-NH2 3.09Å
46P97.8Very high96.1Very high48 Ų4872.5 Ų72.531%0.31239%0.389SS..EExtended strand (participates in β ladder)trans-65.9143171.828.9-34.4000110.6I51 E52 W59P46-I51 HydrophobicContact CB-CG2 3.52Å; P46-E52 HydrophobicContact CB-CG 3.87Å; P46-E52 HydrophobicContact CG-CG 4.07Å; P46-W59 HydrophobicContact CB-CH2 3.59Å; P46-W59 HydrophobicContact CB-CZ2 3.89Å; P46-W59 HydrophobicContact CB-CZ3 4.48Å; P46-W59 HydrophobicContact CG-CH2 4.17Å; P46-W59 HydrophobicContact CG-CZ2 4.26Å
47R98Very high96.2Very high112 Ų11278.4 Ų78.442%0.42342%0.416SS..  trans-126.6-1.2175.1-60.6-64.1173174.4-1.7113.1L31 F32 R34 E45L31-R47 HydrophobicContact CD2-CB 3.95Å; L31-R47 HydrophobicContact CD2-CG 3.88Å; L31-R47 HydrophobicContact CG-CB 3.8Å; L31-R47 HydrophobicContact CG-CG 4.02Å; L31-R47 CarbonylContact O-C 3.56Å; F32-R47 PolarHBondContact O-N 3.2Å; R34-R47 HydrophobicContact CB-CG 3.95Å; E45-R47 IonicContact OE2-CZ 3.57Å; E45-R47 IonicContact OE2-NH2 3.66Å; E45-R47 PolarHBondContact OE2-NH2 3.09Å
48A97.1Very high96.3Very high7 Ų778.7 Ų78.76%0.05841%0.413CS..SBendtrans-138.2146.6171.600000110.2F32 W50 I51F32-A48 HydrophobicContact CB-CB 4.3Å; A48-W50 VanDerWaalsContact C-N 3.26Å; A48-W50 HydrophobicContact CB-CD2 4.36Å; A48-W50 HydrophobicContact CB-CG 4.38Å; A48-W50 HydrophobicContact CB-CZ2 4.26Å; A48-W50 VanDerWaalsContact CB-NE1 3.27Å; A48-W50 PolarHBondContact O-N 3.22Å; A48-I51 WeakPolarHBondContact O-CG2 3.41Å; A48-I51 PolarHBondContact O-N 2.99Å
49P97.1Very high96.5Very high109 Ų10977.1 Ų77.171%0.70840%0.401SS*.G310 helixtrans-61-32.8-173.8-25.634.5000114.2I51 E52P49-I51 VanDerWaalsContact C-N 3.27Å; P49-I51 PolarHBondContact O-N 3.42Å; P49-E52 WeakPolarHBondContact O-CB 3.49Å; P49-E52 PolarHBondContact O-N 3.1Å
50W96.3Very high96.6Very high112 Ų11280.3 Ų80.342%0.42441%0.414SS..G310 helixtrans-69.9-20.1-17655-102.3000113.8V27 F32 A48 Q53V27-W50 HydrophobicContact CB-CH2 4.37Å; V27-W50 HydrophobicContact CB-CZ2 4.36Å; V27-W50 HydrophobicContact CG2-CH2 4Å; V27-W50 HydrophobicContact CG2-CZ2 4.46Å; F32-W50 HydrophobicContact CB-CH2 3.28Å; F32-W50 HydrophobicContact CB-CZ2 3.2Å; F32-W50 HydrophobicContact CB-CZ3 4.27Å; F32-W50 HydrophobicContact CD1-CH2 4.21Å; F32-W50 AromaticContact CD2-CH2 3.44Å; F32-W50 HydrophobicContact CD2-CH2 3.44Å; F32-W50 VanDerWaalsContact CD2-CH2 3.44Å; F32-W50 HydrophobicContact CD2-CZ2 4.29Å; F32-W50 AromaticContact CD2-CZ3 3.91Å; F32-W50 HydrophobicContact CD2-CZ3 3.91Å; F32-W50 HydrophobicContact CE2-CH2 4.29Å; F32-W50 AromaticContact CG-CH2 3.4Å; F32-W50 HydrophobicContact CG-CH2 3.4Å; F32-W50 AromaticContact CG-CZ2 3.86Å; F32-W50 HydrophobicContact CG-CZ2 3.86Å; F32-W50 HydrophobicContact CG-CZ3 4.31Å; A48-W50 VanDerWaalsContact C-N 3.26Å; A48-W50 HydrophobicContact CB-CD2 4.36Å; A48-W50 HydrophobicContact CB-CG 4.38Å; A48-W50 HydrophobicContact CB-CZ2 4.26Å; A48-W50 VanDerWaalsContact CB-NE1 3.27Å; A48-W50 PolarHBondContact O-N 3.22Å; W50-Q53 VanDerWaalsContact O-CD 3.22Å; W50-Q53 WeakPolarHBondContact O-CG 3.18Å; W50-Q53 PolarHBondContact O-OE1 3.3Å
51I97.3Very high96.9Very high8 Ų879.8 Ų79.84%0.04139%0.393CS..G310 helixtrans-84.1-15.3176.9-165.570.4000111.5F32 V33 P46 A48 P49 Q53 E54 Y58 W59F32-I51 HydrophobicContact CD2-CB 4.34Å; F32-I51 HydrophobicContact CD2-CD1 3.95Å; F32-I51 HydrophobicContact CD2-CG1 3.98Å; F32-I51 HydrophobicContact CE2-CD1 4.12Å; F32-I51 HydrophobicContact CE2-CG1 4.48Å; F32-I51 VanDerWaalsContact O-CG2 3.31Å; F32-I51 WeakPolarHBondContact O-CG2 3.37Å; V33-I51 HydrophobicContact CG1-CG1 4.24Å; P46-I51 HydrophobicContact CB-CG2 3.52Å; A48-I51 WeakPolarHBondContact O-CG2 3.41Å; A48-I51 PolarHBondContact O-N 2.99Å; P49-I51 VanDerWaalsContact C-N 3.27Å; P49-I51 PolarHBondContact O-N 3.42Å; I51-Q53 PolarHBondContact O-N 3.07Å; I51-Q53 VanDerWaalsContact O-N 3.13Å; I51-E54 HydrophobicContact CD1-CG 3.64Å; I51-E54 HydrophobicContact CG1-CG 4.19Å; I51-E54 WeakPolarHBondContact O-CB 3.46Å; I51-E54 WeakPolarHBondContact O-CG 3.35Å; I51-E54 PolarHBondContact O-N 2.84Å; I51-Y58 HydrophobicContact CD1-CE1 4.27Å; I51-Y58 HydrophobicContact CG1-CE1 4.33Å; I51-W59 HydrophobicContact CB-CH2 4.4Å; I51-W59 HydrophobicContact CG1-CH2 3.7Å; I51-W59 HydrophobicContact CG1-CZ2 3.96Å; I51-W59 HydrophobicContact CG2-CH2 3.96Å; I51-W59 HydrophobicContact CG2-CZ2 4.33Å; I51-W59 WeakPolarHBondContact O-CZ2 3.42Å
52E95.2Very high97Very high130 Ų13077 Ų7761%0.60737%0.371SS*.G310 helixtrans-65.4-15.4177.7-61.6-179.5-167.800113P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.87Å; P46-E52 HydrophobicContact CG-CG 4.07Å; P49-E52 WeakPolarHBondContact O-CB 3.49Å; P49-E52 PolarHBondContact O-N 3.1Å; E52-E54 PolarHBondContact O-N 2.9Å
53Q96.9Very high97.1Very high159 Ų15975.5 Ų75.574%0.74336%0.362SS*.G310 helixtrans-68-17.9173.476.8-172.93700113.3W50 I51W50-Q53 VanDerWaalsContact O-CD 3.22Å; W50-Q53 WeakPolarHBondContact O-CG 3.18Å; W50-Q53 PolarHBondContact O-OE1 3.3Å; I51-Q53 PolarHBondContact O-N 3.07Å; I51-Q53 VanDerWaalsContact O-N 3.13Å
54E97.7Very high97.1Very high77 Ų7774 Ų7436%0.3636%0.361SS..SBendtrans-69.2138.2177.3-68-62.1151.100111.2I51 E52 Y58 W59I51-E54 HydrophobicContact CD1-CG 3.64Å; I51-E54 HydrophobicContact CG1-CG 4.19Å; I51-E54 WeakPolarHBondContact O-CB 3.46Å; I51-E54 WeakPolarHBondContact O-CG 3.35Å; I51-E54 PolarHBondContact O-N 2.84Å; E52-E54 PolarHBondContact O-N 2.9Å; E54-Y58 HydrophobicContact CB-CD1 3.58Å; E54-Y58 HydrophobicContact CB-CE1 4.25Å; E54-Y58 HydrophobicContact CB-CG 3.81Å; E54-Y58 HydrophobicContact CG-CD1 3.89Å; E54-Y58 HydrophobicContact CG-CD2 4.39Å; E54-Y58 HydrophobicContact CG-CE1 4.14Å; E54-Y58 HydrophobicContact CG-CG 4.02Å; E54-W59 HydrophobicContact CB-CZ2 4.42Å; E54-W59 PolarHBondContact O-NE1 2.91Å; E54-W59 VanDerWaalsContact O-NE1 3.07Å
55G96.8Very high96.9Very high27 Ų2777.1 Ų77.128%0.27838%0.377SS..  trans-71.1166.6-17800000113.9E57 Y58 W59G55-E57 PolarHBondContact O-N 2.77Å; G55-E57 VanDerWaalsContact O-N 3.15Å; G55-Y58 WeakPolarHBondContact O-CB 3.42Å; G55-Y58 PolarHBondContact O-N 3.39Å; G55-Y58 VanDerWaalsContact O-N 3.08Å; G55-W59 PolarHBondContact O-N 3.33Å
56P96.2Very high96.8Very high86 Ų8674.6 Ų74.656%0.55837%0.365SS*.Hα-helixtrans-52.8-34.8176.8-2534.6000113.6Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.29Å; P56-Y58 PolarHBondContact O-N 3.28Å; P56-W59 PolarHBondContact O-N 2.96Å; P56-W59 VanDerWaalsContact O-N 3.17Å; P56-D60 WeakPolarHBondContact O-CB 3.48Å; P56-D60 PolarHBondContact O-N 3.31Å
57E97.6Very high96.6Very high145 Ų14576.4 Ų76.468%0.67837%0.368SS*.Hα-helixtrans-62.7-36.4-179.2-59.178-170.900112.2G55 R61G55-E57 PolarHBondContact O-N 2.77Å; G55-E57 VanDerWaalsContact O-N 3.15Å; E57-R61 VanDerWaalsContact O-CB 3.26Å; E57-R61 WeakPolarHBondContact O-CB 3.17Å; E57-R61 PolarHBondContact O-N 3.44Å
58Y97.1Very high96.3Very high33 Ų3374.8 Ų74.813%0.12937%0.371CS..Hα-helixtrans-64.5-49.8174.5171.7-93.7000110.3I51 E54 G55 P56 D60 R61 E62I51-Y58 HydrophobicContact CD1-CE1 4.27Å; I51-Y58 HydrophobicContact CG1-CE1 4.33Å; E54-Y58 HydrophobicContact CB-CD1 3.58Å; E54-Y58 HydrophobicContact CB-CE1 4.25Å; E54-Y58 HydrophobicContact CB-CG 3.81Å; E54-Y58 HydrophobicContact CG-CD1 3.89Å; E54-Y58 HydrophobicContact CG-CD2 4.39Å; E54-Y58 HydrophobicContact CG-CE1 4.14Å; E54-Y58 HydrophobicContact CG-CG 4.02Å; G55-Y58 WeakPolarHBondContact O-CB 3.42Å; G55-Y58 PolarHBondContact O-N 3.39Å; G55-Y58 VanDerWaalsContact O-N 3.08Å; P56-Y58 VanDerWaalsContact C-N 3.29Å; P56-Y58 PolarHBondContact O-N 3.28Å; Y58-D60 PolarHBondContact O-N 3.02Å; Y58-R61 PolarHBondContact O-N 3.34Å; Y58-E62 HydrophobicContact CD1-CG 4.32Å; Y58-E62 HydrophobicContact CD2-CG 4.18Å; Y58-E62 HydrophobicContact CE1-CG 3.95Å; Y58-E62 HydrophobicContact CE2-CG 3.79Å; Y58-E62 HydrophobicContact CG-CG 4.43Å; Y58-E62 WeakPolarHBondContact O-CB 3.37Å; Y58-E62 WeakPolarHBondContact O-CG 3.26Å; Y58-E62 PolarHBondContact O-N 3.08Å
59W97.6Very high95.8Very high39 Ų3977.2 Ų77.215%0.14838%0.383CS..Hα-helixtrans-63.7-40.2-178.3-64.1111.7000112.6V33 K44 P46 I51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.03Å; V33-W59 HydrophobicContact CG1-CZ3 3.88Å; K44-W59 HydrophobicContact CB-CE3 4.12Å; K44-W59 HydrophobicContact CB-CZ3 4.43Å; K44-W59 HydrophobicContact CG-CE3 4.37Å; K44-W59 HydrophobicContact CG-CZ3 4.23Å; P46-W59 HydrophobicContact CB-CH2 3.59Å; P46-W59 HydrophobicContact CB-CZ2 3.89Å; P46-W59 HydrophobicContact CB-CZ3 4.48Å; P46-W59 HydrophobicContact CG-CH2 4.17Å; P46-W59 HydrophobicContact CG-CZ2 4.26Å; I51-W59 HydrophobicContact CB-CH2 4.4Å; I51-W59 HydrophobicContact CG1-CH2 3.7Å; I51-W59 HydrophobicContact CG1-CZ2 3.96Å; I51-W59 HydrophobicContact CG2-CH2 3.96Å; I51-W59 HydrophobicContact CG2-CZ2 4.33Å; I51-W59 WeakPolarHBondContact O-CZ2 3.42Å; E54-W59 HydrophobicContact CB-CZ2 4.42Å; E54-W59 PolarHBondContact O-NE1 2.91Å; E54-W59 VanDerWaalsContact O-NE1 3.07Å; G55-W59 PolarHBondContact O-N 3.33Å; P56-W59 PolarHBondContact O-N 2.96Å; P56-W59 VanDerWaalsContact O-N 3.17Å; W59-T63 WeakPolarHBondContact O-CB 3.44Å; W59-T63 PolarHBondContact O-N 3.35Å; W59-T63 PolarHBondContact O-OG1 3.25Å
60D97.4Very high95.1Very high106 Ų10673.9 Ų73.957%0.56736%0.361SS*.Hα-helixtrans-65-46.8176.3-76-17.6000110.9P56 Y58 T63 Q64P56-D60 WeakPolarHBondContact O-CB 3.48Å; P56-D60 PolarHBondContact O-N 3.31Å; Y58-D60 PolarHBondContact O-N 3.02Å; D60-T63 WeakPolarHBondContact O-CB 3.18Å; D60-T63 PolarHBondContact O-N 3.45Å; D60-Q64 WeakPolarHBondContact O-CG 3.35Å; D60-Q64 PolarHBondContact O-N 3.22Å
61R97.6Very high93.6Very high147 Ų14776.8 Ų76.856%0.55538%0.379SS*.Hα-helixtrans-61.1-50.7177.9-173.6-177.172.1-166.4-1.3112E57 Y58 T63 Q64 I65E57-R61 VanDerWaalsContact O-CB 3.26Å; E57-R61 WeakPolarHBondContact O-CB 3.17Å; E57-R61 PolarHBondContact O-N 3.44Å; Y58-R61 PolarHBondContact O-N 3.34Å; R61-T63 PolarHBondContact O-N 2.79Å; R61-Q64 PolarHBondContact O-N 3.1Å; R61-Q64 VanDerWaalsContact O-N 3.15Å; R61-I65 HydrophobicContact CG-CD1 4.06Å; R61-I65 WeakPolarHBondContact O-CG1 3.39Å; R61-I65 PolarHBondContact O-N 2.69Å
62E97.1Very high91.8Very high25 Ų2584.2 Ų84.212%0.11743%0.425CS..Hα-helixtrans-64.8-31.4-179.8-69.6-59.1122.700112.3K44 Y58 S66K44-E62 HydrophobicContact CB-CB 3.94Å; K44-E62 HydrophobicContact CD-CB 4.45Å; K44-E62 HydrophobicContact CG-CB 3.83Å; Y58-E62 HydrophobicContact CD1-CG 4.32Å; Y58-E62 HydrophobicContact CD2-CG 4.18Å; Y58-E62 HydrophobicContact CE1-CG 3.95Å; Y58-E62 HydrophobicContact CE2-CG 3.79Å; Y58-E62 HydrophobicContact CG-CG 4.43Å; Y58-E62 WeakPolarHBondContact O-CB 3.37Å; Y58-E62 WeakPolarHBondContact O-CG 3.26Å; Y58-E62 PolarHBondContact O-N 3.08Å; E62-S66 WeakPolarHBondContact O-CB 3.47Å; E62-S66 PolarHBondContact O-N 3.47Å; E62-S66 PolarHBondContact O-OG 3.02Å
63T96.8Very high91.6Very high9 Ų982 Ų826%0.05542%0.416CS..Hα-helixtrans-65.7-46.9172.1-65.20000111.1R43 K44 W59 D60 R61 S66 K67R43-T63 HydrophobicContact CB-CG2 4.16Å; K44-T63 PolarHBondContact N-OG1 2.92Å; W59-T63 WeakPolarHBondContact O-CB 3.44Å; W59-T63 PolarHBondContact O-N 3.35Å; W59-T63 PolarHBondContact O-OG1 3.25Å; D60-T63 WeakPolarHBondContact O-CB 3.18Å; D60-T63 PolarHBondContact O-N 3.45Å; R61-T63 PolarHBondContact O-N 2.79Å; T63-S66 PolarHBondContact O-N 3.15Å; T63-K67 HydrophobicContact CG2-CD 4.08Å; T63-K67 WeakPolarHBondContact O-CG 3.26Å; T63-K67 PolarHBondContact O-N 3.45Å
64Q96.1Very high91.3Very high113 Ų11377.9 Ų77.953%0.52840%0.399SS..Hα-helixtrans-61.8-44.1177.2-68.5-55.3-41.300111.7D60 R61 S66 K67 T68D60-Q64 WeakPolarHBondContact O-CG 3.35Å; D60-Q64 PolarHBondContact O-N 3.22Å; R61-Q64 PolarHBondContact O-N 3.1Å; R61-Q64 VanDerWaalsContact O-N 3.15Å; Q64-S66 VanDerWaalsContact C-N 3.32Å; Q64-S66 PolarHBondContact O-N 3.08Å; Q64-K67 PolarHBondContact O-N 3.12Å; Q64-T68 PolarHBondContact O-N 2.91Å; Q64-T68 PolarHBondContact O-OG1 3.2Å; Q64-T68 VanDerWaalsContact O-OG1 3.12Å
65I94.9Very high90.9Very high73 Ų7377.9 Ų77.937%0.37440%0.401SS..Hα-helixtrans-57.8-46.7175.6-67.4166.2000110.7R61 K67 T68 N69R61-I65 HydrophobicContact CG-CD1 4.06Å; R61-I65 WeakPolarHBondContact O-CG1 3.39Å; R61-I65 PolarHBondContact O-N 2.69Å; I65-K67 VanDerWaalsContact C-N 3.32Å; I65-K67 PolarHBondContact O-N 2.89Å; I65-T68 PolarHBondContact O-N 3.07Å; I65-N69 VanDerWaalsContact O-CG 3.31Å; I65-N69 PolarHBondContact O-N 3.17Å
66S94.4Very high90.6Very high1 Ų180.9 Ų80.91%0.00741%0.408CS..Hα-helixtrans-65.8-35-179.7-54.60000112.3F35 K44 E62 T63 Q64 T70F35-S66 VanDerWaalsContact CG-CB 3.42Å; K44-S66 PolarHBondContact NZ-OG 3.35Å; K44-S66 VanDerWaalsContact NZ-OG 3.09Å; E62-S66 WeakPolarHBondContact O-CB 3.47Å; E62-S66 PolarHBondContact O-N 3.47Å; E62-S66 PolarHBondContact O-OG 3.02Å; T63-S66 PolarHBondContact O-N 3.15Å; Q64-S66 VanDerWaalsContact C-N 3.32Å; Q64-S66 PolarHBondContact O-N 3.08Å; S66-T70 PolarHBondContact O-N 2.96Å; S66-T70 PolarHBondContact O-OG1 3.04Å
67K92.4Very high90.2Very high86 Ų8680.6 Ų80.637%0.37440%0.399SS..Hα-helixtrans-67.1-43.6173.7-74.3175.7178177.90112.1F35 P42 T63 Q64 I65 N69 T70F35-K67 HydrophobicContact CE2-CG 4.22Å; F35-K67 HydrophobicContact CZ-CG 4.03Å; P42-K67 VanDerWaalsContact O-CE 3.26Å; P42-K67 WeakPolarHBondContact O-CE 3.26Å; T63-K67 HydrophobicContact CG2-CD 4.08Å; T63-K67 WeakPolarHBondContact O-CG 3.26Å; T63-K67 PolarHBondContact O-N 3.45Å; Q64-K67 PolarHBondContact O-N 3.12Å; I65-K67 VanDerWaalsContact C-N 3.32Å; I65-K67 PolarHBondContact O-N 2.89Å; K67-N69 VanDerWaalsContact C-N 3.32Å; K67-N69 PolarHBondContact O-N 2.94Å; K67-T70 VanDerWaalsContact O-CB 3.26Å; K67-T70 WeakPolarHBondContact O-CB 3.26Å; K67-T70 PolarHBondContact O-N 3.15Å; K67-T70 VanDerWaalsContact O-N 3.09Å
68T91.8Very high89.8Confident78 Ų7876.3 Ų76.348%0.47938%0.38SS..Hα-helixtrans-60.7-42.8175-57.90000111.3Q64 I65 T70 Q71Q64-T68 PolarHBondContact O-N 2.91Å; Q64-T68 PolarHBondContact O-OG1 3.2Å; Q64-T68 VanDerWaalsContact O-OG1 3.12Å; I65-T68 PolarHBondContact O-N 3.07Å; T68-T70 PolarHBondContact O-N 2.94Å; T68-Q71 PolarHBondContact O-N 2.88Å
69N87.4Confident89.2Confident59 Ų5979.4 Ų79.432%0.31640%0.398SS..Hα-helixtrans-67-16.4176.9-68.7-13.1000113.7F21 I65 K67 Q71F21-N69 HydrophobicContact CE1-CB 3.87Å; F21-N69 HydrophobicContact CZ-CB 3.64Å; I65-N69 VanDerWaalsContact O-CG 3.31Å; I65-N69 PolarHBondContact O-N 3.17Å; K67-N69 VanDerWaalsContact C-N 3.32Å; K67-N69 PolarHBondContact O-N 2.94Å; N69-Q71 VanDerWaalsContact C-N 3.29Å
70T81.8Confident88.6Confident39 Ų3982.5 Ų82.524%0.23942%0.417CS..Hα-helixtrans-74.5-23.3173-54.40000111.5F21 S66 K67 T68F21-T70 HydrophobicContact CB-CG2 3.75Å; F21-T70 WeakPolarHBondContact CD1-OG1 3.47Å; F21-T70 HydrophobicContact CG-CG2 4.42Å; S66-T70 PolarHBondContact O-N 2.96Å; S66-T70 PolarHBondContact O-OG1 3.04Å; K67-T70 VanDerWaalsContact O-CB 3.26Å; K67-T70 WeakPolarHBondContact O-CB 3.26Å; K67-T70 PolarHBondContact O-N 3.15Å; K67-T70 VanDerWaalsContact O-N 3.09Å; T68-T70 PolarHBondContact O-N 2.94Å
71Q65.4Low87.9Confident172 Ų17280.6 Ų80.680%0.80441%0.405SS*.  trans-950.1-174.9-64.2179.8-23.200114.3T68 N69T68-Q71 PolarHBondContact O-N 2.88Å; N69-Q71 VanDerWaalsContact C-N 3.29Å
72T58.4Low87Confident165 Ų16574.5 Ų74.5100%1.01239%0.391SS*.  trans-104.70178.8-46.90000110.3

Retrieved 72 of 72 residues in 21.1 ms (Link to these results)

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