A0A060VCY6_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VCY6, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 340 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1S94.3Very high98.2Very high105 Ų10537.2 Ų37.273%0.73421%0.206SC*.  0161.6040.30000107.2V102S1-V102 WeakPolarHBondContact CA-O 3.43Å; S1-V102 VanDerWaalsContact CB-O 3.25Å; S1-V102 WeakPolarHBondContact CB-O 3.48Å
2H97.6Very high98.1Very high39 Ų3935.6 Ų35.618%0.18120%0.2CC..EExtended strand (participates in β ladder)trans-134.9158.9179.7-64.8-76.6000110.5D28 D101 V102 L167 L171H2-D28 VanDerWaalsContact CA-OD1 3.23Å; H2-D28 WeakPolarHBondContact CA-OD1 3.49Å; H2-D28 IonicContact CE1-OD2 3.87Å; H2-D28 IonicContact CG-OD2 2.84Å; H2-D28 IonicContact ND1-OD1 3.65Å; H2-D28 IonicContact ND1-OD2 3.69Å; H2-D28 PolarHBondContact ND1-OD2 2.81Å; H2-D101 CarbonylContact O-C 3.6Å; H2-D101 WeakPolarHBondContact O-CA 3.46Å; H2-V102 HydrophobicContact CB-CG2 4.01Å; H2-V102 PolarHBondContact N-O 3.41Å; H2-V102 PolarHBondContact O-N 2.64Å; H2-L167 HydrophobicContact CB-CD1 4.44Å; H2-L171 HydrophobicContact CB-CD1 3.65Å; H2-L171 HydrophobicContact CB-CD2 3.96Å; H2-L171 HydrophobicContact CB-CG 4.38Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.37Å
3S98.1Very high98Very high23 Ų2338.5 Ų38.516%0.16121%0.206CC..EExtended strand (participates in β ladder)trans-136.5148.3-179.8640000111.3V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.6Å; S3-V27 WeakPolarHBondContact O-CA 3.24Å; S3-D28 PolarHBondContact N-OD1 3.26Å; S3-D28 PolarHBondContact O-N 2.62Å; S3-D28 PolarHBondContact OG-OD1 2.79Å; S3-C100 CarbonylContact C-O 3.55Å; S3-C100 WeakPolarHBondContact CA-O 3.18Å; S3-D101 WeakPolarHBondContact CB-OD1 2.84Å
4M98.7Very high97.6Very high0 Ų039.8 Ų39.80%022%0.217CC..EExtended strand (participates in β ladder)trans-120.4127.4166.3-173.3168.56300108.2Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.12Å; M4-Y6 HydrophobicContact CG-CE2 4.08Å; M4-Y6 HydrophobicContact SD-CE2 4.04Å; M4-Y26 CarbonylContact C-O 3.58Å; M4-Y26 WeakPolarHBondContact CA-O 3.4Å; M4-V27 HydrophobicContact CG-CG2 4.36Å; M4-F32 HydrophobicContact CG-CE1 4.37Å; M4-F32 HydrophobicContact CG-CZ 4.49Å; M4-F32 HydrophobicContact SD-CZ 4.21Å; M4-G99 CarbonylContact O-C 3.59Å; M4-G99 WeakPolarHBondContact O-CA 3.31Å; M4-C100 PolarHBondContact N-O 2.66Å; M4-C100 PolarHBondContact O-N 2.83Å; M4-C163 HydrophobicContact CE-CB 4.14Å; M4-C163 VanDerWaalsContact CE-O 3.25Å; M4-C163 WeakPolarHBondContact CE-O 3.32Å; M4-C163 WeakPolarHBondContact CE-SG 3.4Å; M4-W166 HydrophobicContact CE-CB 4.03Å; M4-W166 HydrophobicContact SD-CB 4.48Å; M4-L167 HydrophobicContact CB-CB 4.11Å; M4-L167 HydrophobicContact CB-CD1 4.03Å; M4-L167 HydrophobicContact CB-CD2 4.11Å; M4-L167 HydrophobicContact CB-CG 4.3Å; M4-L167 HydrophobicContact CE-CB 4.45Å; M4-Y170 HydrophobicContact SD-CD2 3.68Å; M4-Y170 HydrophobicContact SD-CE2 3.52Å; M4-Y170 VanDerWaalsContact SD-CE2 3.52Å
5R98.6Very high97.2Very high50 Ų5043.1 Ų43.119%0.18926%0.264CS..EExtended strand (participates in β ladder)trans-133.7134.5-178-58.6-65.3176.880.77.6110.7F7 G25 Y26 Y98 D101 Y112R5-F7 HydrophobicContact CB-CD2 4.39Å; R5-F7 HydrophobicContact CB-CE2 3.57Å; R5-F7 HydrophobicContact CB-CZ 3.89Å; R5-G25 CarbonylContact O-C 3.58Å; R5-G25 WeakPolarHBondContact O-CA 3.35Å; R5-Y26 PolarHBondContact N-O 2.67Å; R5-Y26 PolarHBondContact O-N 2.9Å; R5-Y98 WeakPolarHBondContact CA-O 3.39Å; R5-D101 IonicContact CZ-OD1 3.95Å; R5-D101 IonicContact NE-OD1 2.71Å; R5-D101 PolarHBondContact NE-OD1 2.7Å; R5-D101 IonicContact NH2-OD1 3.24Å; R5-D101 PolarHBondContact NH2-OD1 3.07Å; R5-D101 IonicContact NH2-OD2 3.45Å; R5-D101 PolarHBondContact NH2-OD2 2.81Å; R5-Y112 PolarHBondContact NH2-OH 2.88Å
6Y98.8Very high97Very high7 Ų753.4 Ų53.43%0.02730%0.297CS..EExtended strand (participates in β ladder)trans-110.7137.3168.8-69.8-91.3000109.3M4 F8 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.12Å; M4-Y6 HydrophobicContact CG-CE2 4.08Å; M4-Y6 HydrophobicContact SD-CE2 4.04Å; Y6-F8 HydrophobicContact CD1-CE1 4.34Å; Y6-V24 CarbonylContact C-O 3.54Å; Y6-V24 WeakPolarHBondContact CA-O 3.34Å; Y6-F32 HydrophobicContact CE1-CZ 4.03Å; Y6-F32 HydrophobicContact CE2-CZ 4.48Å; Y6-F32 AromaticContact CZ-CZ 3.74Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.47Å; Y6-V33 HydrophobicContact CE1-CG2 3.97Å; Y6-M97 WeakPolarHBondContact O-CA 3.49Å; Y6-Y98 AromaticContact CD2-CE2 3.81Å; Y6-Y98 HydrophobicContact CD2-CE2 3.81Å; Y6-Y98 AromaticContact CD2-CZ 3.89Å; Y6-Y98 HydrophobicContact CG-CE1 4.33Å; Y6-Y98 HydrophobicContact CG-CE2 4.22Å; Y6-Y98 AromaticContact CG-CZ 3.82Å; Y6-Y98 PolarHBondContact N-O 3.14Å; Y6-Y98 PolarHBondContact O-N 3.03Å; Y6-Y98 VanDerWaalsContact O-N 3.09Å
7F98.8Very high96.7Very high82 Ų8253.6 Ų53.636%0.3631%0.314SS..EExtended strand (participates in β ladder)trans-124.8120.8177.5-56.5-95.9000109R5 A23 V24 Y26 V96 M97R5-F7 HydrophobicContact CB-CD2 4.39Å; R5-F7 HydrophobicContact CB-CE2 3.57Å; R5-F7 HydrophobicContact CB-CZ 3.89Å; F7-A23 WeakPolarHBondContact O-CA 3.36Å; F7-V24 HydrophobicContact CB-CG2 3.84Å; F7-V24 HydrophobicContact CD2-CG2 4.3Å; F7-V24 PolarHBondContact N-O 3.44Å; F7-V24 PolarHBondContact O-N 3.2Å; F7-Y26 HydrophobicContact CD2-CD2 4.19Å; F7-Y26 HydrophobicContact CE2-CD2 4.21Å; F7-V96 CarbonylContact C-O 3.49Å; F7-V96 WeakPolarHBondContact CA-O 3.24Å; F7-M97 HydrophobicContact CD1-CB 3.92Å; F7-M97 HydrophobicContact CD1-CG 3.61Å; F7-M97 HydrophobicContact CE1-CB 4.11Å; F7-M97 HydrophobicContact CE1-CG 3.35Å; F7-M97 HydrophobicContact CG-CG 4.47Å; F7-M97 HydrophobicContact CZ-CG 4.04Å
8F98.8Very high96.6Very high6 Ų656.4 Ų56.43%0.02632%0.324CS..EExtended strand (participates in β ladder)trans-111.2143.2175.4-51.5-25.2000109.6Y6 F21 I22 A23 Q69 Q95 V96 Y98Y6-F8 HydrophobicContact CD1-CE1 4.34Å; F8-F21 HydrophobicContact CB-CE2 3.93Å; F8-F21 HydrophobicContact CB-CZ 3.95Å; F8-F21 HydrophobicContact CD1-CZ 4.19Å; F8-F21 HydrophobicContact CD2-CE2 4.42Å; F8-F21 HydrophobicContact CD2-CZ 4.09Å; F8-F21 HydrophobicContact CG-CE2 4.24Å; F8-F21 AromaticContact CG-CZ 3.83Å; F8-F21 HydrophobicContact CG-CZ 3.83Å; F8-I22 CarbonylContact C-O 3.51Å; F8-I22 WeakPolarHBondContact CA-O 3.5Å; F8-A23 HydrophobicContact CD1-CB 3.25Å; F8-A23 HydrophobicContact CE1-CB 3.44Å; F8-A23 VanDerWaalsContact CE1-CB 3.44Å; F8-A23 HydrophobicContact CG-CB 4.25Å; F8-Q69 HydrophobicContact CD2-CG 3.59Å; F8-Q69 HydrophobicContact CE2-CB 4.32Å; F8-Q69 HydrophobicContact CE2-CG 3.62Å; F8-Q95 WeakPolarHBondContact O-CA 3.02Å; F8-V96 HydrophobicContact CB-CB 4.21Å; F8-V96 HydrophobicContact CD2-CB 4.43Å; F8-V96 HydrophobicContact CD2-CG1 4.43Å; F8-V96 PolarHBondContact N-O 2.88Å; F8-V96 PolarHBondContact O-N 3.01Å; F8-Y98 HydrophobicContact CD2-CE1 4.11Å; F8-Y98 HydrophobicContact CE1-CE1 4.18Å; F8-Y98 HydrophobicContact CE2-CD1 4.45Å; F8-Y98 AromaticContact CE2-CE1 3.42Å; F8-Y98 HydrophobicContact CE2-CE1 3.42Å; F8-Y98 VanDerWaalsContact CE2-CE1 3.42Å; F8-Y98 AromaticContact CZ-CE1 3.48Å; F8-Y98 HydrophobicContact CZ-CE1 3.48Å; F8-Y98 VanDerWaalsContact CZ-CE1 3.48Å; F8-Y98 AromaticContact CZ-CZ 3.8Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.36Å
9T98.8Very high96.7Very high43 Ų4354.8 Ų54.826%0.26432%0.316SS..EExtended strand (participates in β ladder)trans-139.8122.3177.2-59.70000109.4V11 F21 I22 T93 M94 Q95T9-V11 HydrophobicContact CG2-CG2 4.06Å; T9-F21 WeakPolarHBondContact O-CA 3.33Å; T9-I22 PolarHBondContact N-O 3.16Å; T9-I22 PolarHBondContact O-N 2.97Å; T9-T93 HydrophobicContact CG2-CG2 4.06Å; T9-M94 WeakPolarHBondContact CA-O 3.37Å; T9-Q95 HydrophobicContact CG2-CG 4.11Å
10S98.7Very high96.7Very high2 Ų256.7 Ų56.71%0.01432%0.317CS..EExtended strand (participates in β ladder)trans-118.8118.4-178-69.70000109.7R20 F21 D73 T93 M94S10-R20 CarbonylContact C-O 3.59Å; S10-R20 WeakPolarHBondContact CA-O 3.26Å; S10-F21 WeakPolarHBondContact OG-CD2 3.33Å; S10-D73 WeakPolarHBondContact OG-CB 3.48Å; S10-D73 PolarHBondContact OG-OD2 2.97Å; S10-T93 CarbonylContact O-C 3.55Å; S10-T93 WeakPolarHBondContact O-CA 3.49Å; S10-M94 PolarHBondContact N-O 2.95Å; S10-M94 PolarHBondContact O-N 3.21Å
11V98.6Very high96.8Very high52 Ų5254.1 Ų54.132%0.31530%0.302SS..EExtended strand (participates in β ladder)trans-118.3111.5-177-173.20000109.2T9 P19 R20 T93T9-V11 HydrophobicContact CG2-CG2 4.06Å; V11-P19 CarbonylContact O-C 3.53Å; V11-P19 VanDerWaalsContact O-CA 3.22Å; V11-P19 WeakPolarHBondContact O-CA 3.09Å; V11-R20 PolarHBondContact N-O 2.86Å; V11-R20 PolarHBondContact O-N 2.88Å; V11-T93 HydrophobicContact CG2-CG2 4.16Å
12S97.9Very high97Very high18 Ų1851.3 Ų51.313%0.12628%0.279CS..  trans-68.9142.2173.857.30000111.1S91 H92S12-S91 WeakPolarHBondContact O-CB 3.46Å; S12-S91 PolarHBondContact O-OG 3.04Å; S12-H92 PolarHBondContact N-O 3.18Å; S12-H92 WeakPolarHBondContact OG-CA 3.31Å; S12-H92 PolarHBondContact OG-N 2.95Å; S12-H92 PolarHBondContact OG-O 3.35Å
13R96.3Very high97.1Very high74 Ų7449.5 Ų49.528%0.27927%0.271SS..  trans-134.974.3-176.853.9174.9176.2-159.4-10.7111.2G15 R16 E18 D38R13-G15 PolarHBondContact O-N 3.44Å; R13-R16 HydrophobicContact CB-CB 4.11Å; R13-R16 WeakPolarHBondContact CD-O 3.23Å; R13-R16 HydrophobicContact CG-CB 4.16Å; R13-R16 PolarHBondContact NE-O 2.93Å; R13-R16 PolarHBondContact O-N 3.02Å; R13-E18 VanDerWaalsContact CZ-O 3.27Å; R13-E18 PolarHBondContact NE-O 3.04Å; R13-E18 PolarHBondContact NH2-O 3.37Å; R13-D38 IonicContact CZ-OD1 3.72Å; R13-D38 IonicContact CZ-OD2 3.56Å; R13-D38 IonicContact NH1-OD1 3.9Å; R13-D38 PolarHBondContact NH1-OD1 3.49Å; R13-D38 IonicContact NH1-OD2 3.45Å; R13-D38 PolarHBondContact NH1-OD2 3.01Å; R13-D38 IonicContact NH2-OD1 3.11Å; R13-D38 PolarHBondContact NH2-OD1 2.87Å; R13-D38 IonicContact NH2-OD2 3.97Å
14P92.9Very high97.1Very high56 Ų5649.8 Ų49.836%0.36427%0.271SS..THydrogen-bonded Turntrans-49.2130.1-176.8-26.733.7000112.5R16 E88 G90P14-R16 PolarHBondContact O-N 2.99Å; P14-E88 WeakPolarHBondContact CB-O 3.29Å; P14-E88 VanDerWaalsContact CG-O 3.23Å; P14-E88 WeakPolarHBondContact CG-O 3.47Å; P14-G90 WeakPolarHBondContact CG-O 3.34Å
15G91.8Very high97.1Very high90 Ų9049.8 Ų49.893%0.92827%0.271SS*.THydrogen-bonded Turntrans73.63.3-178.200000115.8R13R13-G15 PolarHBondContact O-N 3.44Å
16R93.7Very high97.1Very high207 Ų20750.8 Ų50.878%0.78128%0.276SS*.SBendtrans-12423.3179.7-59.1-175.3-1791760.9113.4R13 P14R13-R16 HydrophobicContact CB-CB 4.11Å; R13-R16 WeakPolarHBondContact CD-O 3.23Å; R13-R16 HydrophobicContact CG-CB 4.16Å; R13-R16 PolarHBondContact NE-O 2.93Å; R13-R16 PolarHBondContact O-N 3.02Å; P14-R16 PolarHBondContact O-N 2.99Å
17G92.3Very high97.1Very high57 Ų5750.4 Ų50.459%0.58827%0.274SS*.SBendtrans95.4-163.9179.100000113.8
18E94.7Very high97Very high105 Ų10548.1 Ų48.149%0.49127%0.266SS..SBendtrans-64.9152.5-179-63.4-62.9162.300112R13 R20 R74R13-E18 VanDerWaalsContact CZ-O 3.27Å; R13-E18 PolarHBondContact NE-O 3.04Å; R13-E18 PolarHBondContact NH2-O 3.37Å; E18-R20 PolarHBondContact O-N 2.82Å; E18-R74 IonicContact OE1-NH1 3.93Å; E18-R74 PolarHBondContact OE1-NH1 3.26Å; E18-R74 WeakPolarHBondContact OE2-CD 3.4Å; E18-R74 IonicContact OE2-CZ 2.79Å; E18-R74 IonicContact OE2-NE 3.31Å; E18-R74 IonicContact OE2-NH1 3.37Å; E18-R74 PolarHBondContact OE2-NH1 3.28Å
19P97.3Very high96.9Very high26 Ų2651 Ų5117%0.16928%0.281CS..PPolyproline II helixtrans-50.7137.4173.3-2635.1000112.1V11 R74 L77V11-P19 CarbonylContact O-C 3.53Å; V11-P19 VanDerWaalsContact O-CA 3.22Å; V11-P19 WeakPolarHBondContact O-CA 3.09Å; P19-R74 HydrophobicContact CG-CB 4.44Å; P19-R74 HydrophobicContact CG-CG 4.14Å; P19-L77 HydrophobicContact CB-CD1 3.69Å; P19-L77 HydrophobicContact CG-CD1 3.84Å
20R98.3Very high96.8Very high92 Ų9250 Ų5035%0.34728%0.275SS..EExtended strand (participates in β ladder)trans-77.6127.3172.9-175.7-179.4-178.2-176-0.3108.5S10 V11 E18 I22 D36 S37 D38S10-R20 CarbonylContact C-O 3.59Å; S10-R20 WeakPolarHBondContact CA-O 3.26Å; V11-R20 PolarHBondContact N-O 2.86Å; V11-R20 PolarHBondContact O-N 2.88Å; E18-R20 PolarHBondContact O-N 2.82Å; R20-I22 HydrophobicContact CG-CG1 4.39Å; R20-D36 IonicContact CZ-OD1 3.23Å; R20-D36 IonicContact CZ-OD2 3.45Å; R20-D36 IonicContact NE-OD1 3.3Å; R20-D36 PolarHBondContact NE-OD1 3.03Å; R20-D36 VanDerWaalsContact NE-OD1 3.08Å; R20-D36 IonicContact NE-OD2 2.69Å; R20-D36 IonicContact NH2-OD1 3.59Å; R20-D36 PolarHBondContact NH2-OD1 2.93Å; R20-D36 IonicContact NH2-OD2 3.44Å; R20-D36 PolarHBondContact NH2-OD2 2.93Å; R20-S37 WeakPolarHBondContact CA-OG 3.47Å; R20-D38 WeakPolarHBondContact CD-OD2 3.33Å; R20-D38 IonicContact NE-OD2 2.69Å
21F98.7Very high96.8Very high2 Ų252.4 Ų52.41%0.00929%0.286CS..EExtended strand (participates in β ladder)trans-112126177.2177.9-85.9000109.7F8 T9 S10 A23 F35 S37 V66 Q69 S70 D73F8-F21 HydrophobicContact CB-CE2 3.93Å; F8-F21 HydrophobicContact CB-CZ 3.95Å; F8-F21 HydrophobicContact CD1-CZ 4.19Å; F8-F21 HydrophobicContact CD2-CE2 4.42Å; F8-F21 HydrophobicContact CD2-CZ 4.09Å; F8-F21 HydrophobicContact CG-CE2 4.24Å; F8-F21 AromaticContact CG-CZ 3.83Å; F8-F21 HydrophobicContact CG-CZ 3.83Å; T9-F21 WeakPolarHBondContact O-CA 3.33Å; S10-F21 WeakPolarHBondContact OG-CD2 3.33Å; F21-A23 HydrophobicContact CE1-CB 3.61Å; F21-A23 HydrophobicContact CZ-CB 4Å; F21-F35 AromaticContact CD1-CD1 3.68Å; F21-F35 HydrophobicContact CD1-CD1 3.68Å; F21-F35 AromaticContact CD1-CE1 3.79Å; F21-F35 HydrophobicContact CD1-CE1 3.79Å; F21-F35 AromaticContact CE1-CD1 3.98Å; F21-F35 HydrophobicContact CE1-CD1 3.98Å; F21-F35 HydrophobicContact CE1-CE1 4.37Å; F21-S37 PolarHBondContact N-OG 3.3Å; F21-S37 PolarHBondContact O-N 2.84Å; F21-S37 PolarHBondContact O-OG 2.92Å; F21-V66 HydrophobicContact CE1-CB 4.18Å; F21-Q69 HydrophobicContact CE2-CB 4.42Å; F21-Q69 HydrophobicContact CE2-CG 3.96Å; F21-Q69 HydrophobicContact CZ-CB 4.2Å; F21-Q69 HydrophobicContact CZ-CG 4.03Å; F21-S70 WeakPolarHBondContact CB-OG 3.36Å; F21-D73 HydrophobicContact CD2-CB 4.36Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.46Å
22I98.8Very high96.8Very high47 Ų4749.9 Ų49.924%0.24127%0.271CS..EExtended strand (participates in β ladder)trans-122.3132173.8-59.3174.2000107.7F8 T9 R20 V24 F35F8-I22 CarbonylContact C-O 3.51Å; F8-I22 WeakPolarHBondContact CA-O 3.5Å; T9-I22 PolarHBondContact N-O 3.16Å; T9-I22 PolarHBondContact O-N 2.97Å; R20-I22 HydrophobicContact CG-CG1 4.39Å; I22-V24 HydrophobicContact CG2-CG1 4.38Å; I22-F35 WeakPolarHBondContact CA-O 3.31Å
23A98.8Very high96.8Very high1 Ų149 Ų491%0.00827%0.265CS..EExtended strand (participates in β ladder)trans-123.8138.2171.500000110.3F7 F8 F21 R34 F35 V66F7-A23 WeakPolarHBondContact O-CA 3.36Å; F8-A23 HydrophobicContact CD1-CB 3.25Å; F8-A23 HydrophobicContact CE1-CB 3.44Å; F8-A23 VanDerWaalsContact CE1-CB 3.44Å; F8-A23 HydrophobicContact CG-CB 4.25Å; F21-A23 HydrophobicContact CE1-CB 3.61Å; F21-A23 HydrophobicContact CZ-CB 4Å; A23-R34 CarbonylContact O-C 3.51Å; A23-R34 VanDerWaalsContact O-CA 3.27Å; A23-R34 WeakPolarHBondContact O-CA 3.47Å; A23-F35 HydrophobicContact CB-CB 4.24Å; A23-F35 PolarHBondContact N-O 3.23Å; A23-F35 PolarHBondContact O-N 3.01Å; A23-V66 HydrophobicContact CB-CG1 4.22Å
24V98.8Very high96.9Very high29 Ų2949.6 Ų49.618%0.17627%0.267CS..EExtended strand (participates in β ladder)trans-134.7143.4173.7-62.10000110Y6 F7 I22 Y26 V33 R34Y6-V24 CarbonylContact C-O 3.54Å; Y6-V24 WeakPolarHBondContact CA-O 3.34Å; F7-V24 HydrophobicContact CB-CG2 3.84Å; F7-V24 HydrophobicContact CD2-CG2 4.3Å; F7-V24 PolarHBondContact N-O 3.44Å; F7-V24 PolarHBondContact O-N 3.2Å; I22-V24 HydrophobicContact CG2-CG1 4.38Å; V24-Y26 HydrophobicContact CB-CE2 4.1Å; V24-Y26 HydrophobicContact CG2-CD2 4.34Å; V24-Y26 HydrophobicContact CG2-CE2 3.84Å; V24-V33 WeakPolarHBondContact CA-O 3.16Å; V24-R34 HydrophobicContact CG1-CB 4.46Å; V24-R34 HydrophobicContact CG1-CG 4.21Å
25G98.7Very high97.2Very high0 Ų047.2 Ų47.20%025%0.251CS..EExtended strand (participates in β ladder)trans-120.6138.5176.100000110.6R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.58Å; R5-G25 WeakPolarHBondContact O-CA 3.35Å; G25-Q31 WeakPolarHBondContact O-CA 3.45Å; G25-F32 WeakPolarHBondContact O-CD1 3.18Å; G25-F32 PolarHBondContact O-N 2.96Å; G25-V33 PolarHBondContact N-O 2.67Å; G25-V33 VanDerWaalsContact N-O 3.1Å; G25-V33 PolarHBondContact O-N 3.25Å
26Y98.6Very high97.5Very high70 Ų7043.7 Ų43.728%0.27521%0.211SC..EExtended strand (participates in β ladder)trans-125.4140.9178.6-76.5-103.1000110.6M4 R5 F7 V24 T30 Q31M4-Y26 CarbonylContact C-O 3.58Å; M4-Y26 WeakPolarHBondContact CA-O 3.4Å; R5-Y26 PolarHBondContact N-O 2.67Å; R5-Y26 PolarHBondContact O-N 2.9Å; F7-Y26 HydrophobicContact CD2-CD2 4.19Å; F7-Y26 HydrophobicContact CE2-CD2 4.21Å; V24-Y26 HydrophobicContact CB-CE2 4.1Å; V24-Y26 HydrophobicContact CG2-CD2 4.34Å; V24-Y26 HydrophobicContact CG2-CE2 3.84Å; Y26-T30 WeakPolarHBondContact CA-O 3.38Å; Y26-T30 VanDerWaalsContact CD1-C 3.45Å; Y26-Q31 HydrophobicContact CD1-CB 4.03Å; Y26-Q31 VanDerWaalsContact CD1-N 3.29Å; Y26-Q31 HydrophobicContact CD2-CB 4.49Å; Y26-Q31 HydrophobicContact CD2-CG 4.34Å; Y26-Q31 HydrophobicContact CE1-CB 3.53Å; Y26-Q31 HydrophobicContact CE1-CG 4.27Å; Y26-Q31 HydrophobicContact CE2-CB 4.04Å; Y26-Q31 HydrophobicContact CE2-CG 3.83Å; Y26-Q31 HydrophobicContact CG-CB 4.47Å
27V98.5Very high97.7Very high0 Ų034.6 Ų34.60%018%0.179CC..EExtended strand (participates in β ladder)trans-108119.1156.4177.40000106.1S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.6Å; S3-V27 WeakPolarHBondContact O-CA 3.24Å; M4-V27 HydrophobicContact CG-CG2 4.36Å; V27-D29 PolarHBondContact O-N 3.2Å; V27-T30 PolarHBondContact N-O 2.88Å; V27-T30 WeakPolarHBondContact O-CB 3.32Å; V27-T30 PolarHBondContact O-N 2.86Å; V27-F32 HydrophobicContact CG2-CD1 4Å; V27-F32 HydrophobicContact CG2-CE1 4.01Å; V27-W50 HydrophobicContact CG2-CH2 3.97Å; V27-W50 HydrophobicContact CG2-CZ2 4.5Å; V27-L167 HydrophobicContact CG1-CD1 3.6Å; V27-L167 HydrophobicContact CG2-CD1 4.24Å; V27-Y170 HydrophobicContact CG2-CD2 4.01Å; V27-L171 HydrophobicContact CG1-CD2 4.05Å; V27-L178 HydrophobicContact CB-CD1 4.25Å; V27-L178 HydrophobicContact CB-CD2 4.08Å; V27-L178 HydrophobicContact CG1-CD1 3.9Å; V27-L178 HydrophobicContact CG1-CD2 4.08Å; V27-L178 HydrophobicContact CG1-CG 4.49Å
28D96.9Very high98Very high34 Ų3435.3 Ų35.318%0.18217%0.17CC..THydrogen-bonded Turntrans47.5-123.3-167.1-55.1-42.7000110.8H2 S3 T30H2-D28 VanDerWaalsContact CA-OD1 3.23Å; H2-D28 WeakPolarHBondContact CA-OD1 3.49Å; H2-D28 IonicContact CE1-OD2 3.87Å; H2-D28 IonicContact CG-OD2 2.84Å; H2-D28 IonicContact ND1-OD1 3.65Å; H2-D28 IonicContact ND1-OD2 3.69Å; H2-D28 PolarHBondContact ND1-OD2 2.81Å; S3-D28 PolarHBondContact N-OD1 3.26Å; S3-D28 PolarHBondContact O-N 2.62Å; S3-D28 PolarHBondContact OG-OD1 2.79Å; D28-T30 VanDerWaalsContact C-N 3.32Å; D28-T30 PolarHBondContact O-N 3.07Å
29D96.4Very high98.1Very high66 Ų6631.8 Ų31.835%0.35316%0.158SC..THydrogen-bonded Turntrans-91.611.7-179.9-61.2-52.8000113.4V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 3.2Å; D29-Y208 HydrophobicContact CB-CE2 4.21Å; D29-P209 VanDerWaalsContact OD2-CB 3.32Å; D29-P209 WeakPolarHBondContact OD2-CB 3.5Å; D29-A210 HydrophobicContact CB-CB 4.3Å; D29-A210 WeakPolarHBondContact OD2-CB 3.45Å; D29-A210 PolarHBondContact OD2-N 3.27Å; D29-F240 HydrophobicContact CB-CE2 3.8Å; D29-F240 HydrophobicContact CB-CZ 3.68Å
30T97.1Very high98.1Very high22 Ų2236 Ų3614%0.13520%0.195CC..EExtended strand (participates in β ladder)trans-112.5113.8-174.5-57.30000112.3Y26 V27 D28 F32 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.38Å; Y26-T30 VanDerWaalsContact CD1-C 3.45Å; V27-T30 PolarHBondContact N-O 2.88Å; V27-T30 WeakPolarHBondContact O-CB 3.32Å; V27-T30 PolarHBondContact O-N 2.86Å; D28-T30 VanDerWaalsContact C-N 3.32Å; D28-T30 PolarHBondContact O-N 3.07Å; T30-F32 PolarHBondContact O-N 2.86Å; T30-L178 HydrophobicContact CG2-CD2 4.02Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.43Å; T30-Y208 PolarHBondContact OG1-OH 2.83Å
31Q97.8Very high97.8Very high52 Ų5234.3 Ų34.324%0.24320%0.197CC..EExtended strand (participates in β ladder)trans-67.6130.7174.1-166.2178.94.200110.2G25 Y26 V33 R47G25-Q31 WeakPolarHBondContact O-CA 3.45Å; Y26-Q31 HydrophobicContact CD1-CB 4.03Å; Y26-Q31 VanDerWaalsContact CD1-N 3.29Å; Y26-Q31 HydrophobicContact CD2-CB 4.49Å; Y26-Q31 HydrophobicContact CD2-CG 4.34Å; Y26-Q31 HydrophobicContact CE1-CB 3.53Å; Y26-Q31 HydrophobicContact CE1-CG 4.27Å; Y26-Q31 HydrophobicContact CE2-CB 4.04Å; Y26-Q31 HydrophobicContact CE2-CG 3.83Å; Y26-Q31 HydrophobicContact CG-CB 4.47Å; Q31-V33 PolarHBondContact NE2-O 3.27Å; Q31-R47 HydrophobicContact CG-CB 4.12Å; Q31-R47 HydrophobicContact CG-CG 4.32Å
32F98.3Very high97.7Very high0 Ų038.5 Ų38.50%022%0.217CC..EExtended strand (participates in β ladder)trans-121-23-18074.2-82.9000114.3M4 Y6 G25 V27 T30 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.37Å; M4-F32 HydrophobicContact CG-CZ 4.49Å; M4-F32 HydrophobicContact SD-CZ 4.21Å; Y6-F32 HydrophobicContact CE1-CZ 4.03Å; Y6-F32 HydrophobicContact CE2-CZ 4.48Å; Y6-F32 AromaticContact CZ-CZ 3.74Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.47Å; G25-F32 WeakPolarHBondContact O-CD1 3.18Å; G25-F32 PolarHBondContact O-N 2.96Å; V27-F32 HydrophobicContact CG2-CD1 4Å; V27-F32 HydrophobicContact CG2-CE1 4.01Å; T30-F32 PolarHBondContact O-N 2.86Å; F32-R47 PolarHBondContact O-N 3.25Å; F32-A48 HydrophobicContact CB-CB 4.17Å; F32-W50 HydrophobicContact CB-CH2 3.15Å; F32-W50 HydrophobicContact CB-CZ2 3.32Å; F32-W50 HydrophobicContact CB-CZ3 4.03Å; F32-W50 HydrophobicContact CD1-CH2 4.11Å; F32-W50 AromaticContact CD2-CH2 3.8Å; F32-W50 HydrophobicContact CD2-CH2 3.8Å; F32-W50 HydrophobicContact CD2-CZ3 4.15Å; F32-W50 AromaticContact CG-CH2 3.46Å; F32-W50 HydrophobicContact CG-CH2 3.46Å; F32-W50 VanDerWaalsContact CG-CH2 3.46Å; F32-W50 HydrophobicContact CG-CZ2 4.09Å; F32-W50 HydrophobicContact CG-CZ3 4.25Å; F32-I51 HydrophobicContact CD2-CD1 4Å; F32-I51 HydrophobicContact CD2-CG1 4.06Å; F32-I51 HydrophobicContact CE2-CD1 4.37Å; F32-I51 VanDerWaalsContact O-CG2 3.29Å; F32-I51 WeakPolarHBondContact O-CG2 3.19Å; F32-Y170 HydrophobicContact CD2-CE2 4.46Å; F32-Y170 HydrophobicContact CE2-CD2 4.22Å; F32-Y170 AromaticContact CE2-CE2 3.64Å; F32-Y170 HydrophobicContact CE2-CE2 3.64Å; F32-Y170 HydrophobicContact CZ-CD2 4.29Å; F32-Y170 AromaticContact CZ-CE2 3.82Å; F32-Y170 HydrophobicContact CZ-CE2 3.82Å
33V98.6Very high97.6Very high0 Ų043.3 Ų43.30%023%0.232CC..EExtended strand (participates in β ladder)trans-140154.7177.2-72.50000112.7Y6 V24 G25 Q31 M44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 3.97Å; V24-V33 WeakPolarHBondContact CA-O 3.16Å; G25-V33 PolarHBondContact N-O 2.67Å; G25-V33 VanDerWaalsContact N-O 3.1Å; G25-V33 PolarHBondContact O-N 3.25Å; Q31-V33 PolarHBondContact NE2-O 3.27Å; V33-M44 HydrophobicContact CB-CG 4.13Å; V33-M44 HydrophobicContact CB-SD 3.67Å; V33-M44 HydrophobicContact CG1-CG 4.16Å; V33-M44 HydrophobicContact CG1-SD 4.36Å; V33-M44 HydrophobicContact CG2-CE 4.45Å; V33-M44 HydrophobicContact CG2-SD 4.15Å; V33-E45 WeakPolarHBondContact CA-O 3.32Å; V33-I51 HydrophobicContact CG1-CG1 4.41Å; V33-W59 HydrophobicContact CG1-CH2 4.14Å; V33-W59 HydrophobicContact CG1-CZ3 3.92Å
34R98.6Very high97.6Very high86 Ų8643.7 Ų43.733%0.32523%0.234SC..EExtended strand (participates in β ladder)trans-147.2142.7172.6178.8172.9168.4170.1-1.6111.5A23 V24 D36 M44 E45 R47A23-R34 CarbonylContact O-C 3.51Å; A23-R34 VanDerWaalsContact O-CA 3.27Å; A23-R34 WeakPolarHBondContact O-CA 3.47Å; V24-R34 HydrophobicContact CG1-CB 4.46Å; V24-R34 HydrophobicContact CG1-CG 4.21Å; R34-D36 IonicContact NH2-OD2 2.69Å; R34-D36 PolarHBondContact NH2-OD2 3.36Å; R34-M44 VanDerWaalsContact C-SD 3.5Å; R34-E45 PolarHBondContact N-O 3.11Å; R34-E45 PolarHBondContact O-N 2.88Å; R34-R47 HydrophobicContact CB-CG 3.89Å
35F98.8Very high97.6Very high5 Ų545.1 Ų45.12%0.02224%0.239CC..EExtended strand (participates in β ladder)trans-128.3144.6164.7176.2-83.2000109.8F21 I22 A23 Q42 R43 M44 V66 K67F21-F35 AromaticContact CD1-CD1 3.68Å; F21-F35 HydrophobicContact CD1-CD1 3.68Å; F21-F35 AromaticContact CD1-CE1 3.79Å; F21-F35 HydrophobicContact CD1-CE1 3.79Å; F21-F35 AromaticContact CE1-CD1 3.98Å; F21-F35 HydrophobicContact CE1-CD1 3.98Å; F21-F35 HydrophobicContact CE1-CE1 4.37Å; I22-F35 WeakPolarHBondContact CA-O 3.31Å; A23-F35 HydrophobicContact CB-CB 4.24Å; A23-F35 PolarHBondContact N-O 3.23Å; A23-F35 PolarHBondContact O-N 3.01Å; F35-Q42 VanDerWaalsContact CE2-C 3.47Å; F35-Q42 HydrophobicContact CE2-CB 4.46Å; F35-Q42 WeakPolarHBondContact CE2-O 3.45Å; F35-Q42 HydrophobicContact CZ-CB 4.48Å; F35-R43 WeakPolarHBondContact CD2-O 3.38Å; F35-M44 HydrophobicContact CB-CE 4.4Å; F35-M44 HydrophobicContact CB-SD 4Å; F35-V66 HydrophobicContact CB-CG2 4.01Å; F35-V66 HydrophobicContact CD1-CG2 4.19Å; F35-V66 HydrophobicContact CD2-CG2 3.39Å; F35-V66 HydrophobicContact CE2-CG2 3.81Å; F35-V66 HydrophobicContact CG-CB 4.31Å; F35-V66 HydrophobicContact CG-CG2 3.61Å; F35-V66 HydrophobicContact CZ-CG2 4.39Å; F35-K67 HydrophobicContact CE2-CG 4.18Å; F35-K67 HydrophobicContact CZ-CG 4.07Å
36D98.6Very high97.6Very high17 Ų1747.3 Ų47.39%0.09125%0.253CS..EExtended strand (participates in β ladder)trans-139.3120.6174.7-166.3-26.3000108.9R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.23Å; R20-D36 IonicContact CZ-OD2 3.45Å; R20-D36 IonicContact NE-OD1 3.3Å; R20-D36 PolarHBondContact NE-OD1 3.03Å; R20-D36 VanDerWaalsContact NE-OD1 3.08Å; R20-D36 IonicContact NE-OD2 2.69Å; R20-D36 IonicContact NH2-OD1 3.59Å; R20-D36 PolarHBondContact NH2-OD1 2.93Å; R20-D36 IonicContact NH2-OD2 3.44Å; R20-D36 PolarHBondContact NH2-OD2 2.93Å; R34-D36 IonicContact NH2-OD2 2.69Å; R34-D36 PolarHBondContact NH2-OD2 3.36Å; D36-D38 PolarHBondContact O-N 2.71Å; D36-D38 PolarHBondContact OD1-N 2.79Å; D36-D38 VanDerWaalsContact OD1-N 3.16Å; D36-A39 HydrophobicContact CB-CB 4.13Å; D36-A39 WeakPolarHBondContact O-CB 3.44Å; D36-A39 PolarHBondContact O-N 2.94Å; D36-A39 VanDerWaalsContact O-N 3.09Å
37S98.1Very high97.5Very high15 Ų1549.2 Ų49.211%0.10526%0.26CS..THydrogen-bonded Turntrans-64.6-23-178.366.30000113.1R20 F21 Q42R20-S37 WeakPolarHBondContact CA-OG 3.47Å; F21-S37 PolarHBondContact N-OG 3.3Å; F21-S37 PolarHBondContact O-N 2.84Å; F21-S37 PolarHBondContact O-OG 2.92Å; S37-Q42 PolarHBondContact O-NE2 3.02Å
38D97.4Very high97.4Very high73 Ų7349.4 Ų49.439%0.3926%0.261SS..THydrogen-bonded Turntrans-87.5-7178.4-74.7-0000112.4R13 R20 D36R13-D38 IonicContact CZ-OD1 3.72Å; R13-D38 IonicContact CZ-OD2 3.56Å; R13-D38 IonicContact NH1-OD1 3.9Å; R13-D38 PolarHBondContact NH1-OD1 3.49Å; R13-D38 IonicContact NH1-OD2 3.45Å; R13-D38 PolarHBondContact NH1-OD2 3.01Å; R13-D38 IonicContact NH2-OD1 3.11Å; R13-D38 PolarHBondContact NH2-OD1 2.87Å; R13-D38 IonicContact NH2-OD2 3.97Å; R20-D38 WeakPolarHBondContact CD-OD2 3.33Å; R20-D38 IonicContact NE-OD2 2.69Å; D36-D38 PolarHBondContact O-N 2.71Å; D36-D38 PolarHBondContact OD1-N 2.79Å; D36-D38 VanDerWaalsContact OD1-N 3.16Å
39A97.2Very high97.4Very high30 Ų3052.9 Ų52.925%0.24829%0.286CS..SBendtrans-71.3145174.800000111.3D36 S41 Q42D36-A39 HydrophobicContact CB-CB 4.13Å; D36-A39 WeakPolarHBondContact O-CB 3.44Å; D36-A39 PolarHBondContact O-N 2.94Å; D36-A39 VanDerWaalsContact O-N 3.09Å; A39-S41 VanDerWaalsContact C-N 3.28Å; A39-S41 PolarHBondContact O-N 2.94Å; A39-Q42 WeakPolarHBondContact O-CG 3.34Å; A39-Q42 PolarHBondContact O-N 3.42Å
40A96.4Very high97.4Very high115 Ų11550.5 Ų50.595%0.9527%0.272SS*.SBendtrans-63.5-32.3-179.300000113.5
41S93.2Very high97.5Very high56 Ų5649.5 Ų49.539%0.39227%0.265SS..SBendtrans-71.8-33.2178.658.60000112.2A39 R43 E45A39-S41 VanDerWaalsContact C-N 3.28Å; A39-S41 PolarHBondContact O-N 2.94Å; S41-R43 WeakPolarHBondContact O-CG 3.39Å; S41-R43 PolarHBondContact O-N 2.79Å; S41-E45 PolarHBondContact OG-OE1 3.3Å
42Q96.1Very high97.4Very high91 Ų9153 Ų5343%0.42528%0.282SS..  trans38.951-168.8-59.6-172.2-2900111.8F35 S37 A39 K67F35-Q42 VanDerWaalsContact CE2-C 3.47Å; F35-Q42 HydrophobicContact CE2-CB 4.46Å; F35-Q42 WeakPolarHBondContact CE2-O 3.45Å; F35-Q42 HydrophobicContact CZ-CB 4.48Å; S37-Q42 PolarHBondContact O-NE2 3.02Å; A39-Q42 WeakPolarHBondContact O-CG 3.34Å; A39-Q42 PolarHBondContact O-N 3.42Å; Q42-K67 WeakPolarHBondContact O-CE 3.32Å; Q42-K67 PolarHBondContact O-NZ 3.39Å
43R98Very high97.3Very high147 Ų14758.8 Ų58.856%0.55531%0.309SS*.SBendtrans-127155.6-179.7-84.1178.1162.4167.6-4.8110.4F35 S41 E45 T63F35-R43 WeakPolarHBondContact CD2-O 3.38Å; S41-R43 WeakPolarHBondContact O-CG 3.39Å; S41-R43 PolarHBondContact O-N 2.79Å; R43-E45 PolarHBondContact O-N 2.82Å; R43-T63 HydrophobicContact CG-CG2 4.08Å
44M98.3Very high97.3Very high9 Ų959.3 Ų59.34%0.04431%0.312CS..  trans-67.9126.7167.4-1736486.700108.4V33 R34 F35 W59 E62 T63 V66V33-M44 HydrophobicContact CB-CG 4.13Å; V33-M44 HydrophobicContact CB-SD 3.67Å; V33-M44 HydrophobicContact CG1-CG 4.16Å; V33-M44 HydrophobicContact CG1-SD 4.36Å; V33-M44 HydrophobicContact CG2-CE 4.45Å; V33-M44 HydrophobicContact CG2-SD 4.15Å; R34-M44 VanDerWaalsContact C-SD 3.5Å; F35-M44 HydrophobicContact CB-CE 4.4Å; F35-M44 HydrophobicContact CB-SD 4Å; M44-W59 HydrophobicContact CB-CE3 4.25Å; M44-W59 HydrophobicContact CG-CE3 4.13Å; M44-W59 HydrophobicContact CG-CZ3 3.96Å; M44-E62 HydrophobicContact CB-CB 4.13Å; M44-E62 HydrophobicContact CE-CB 4.42Å; M44-E62 HydrophobicContact CG-CB 4.1Å; M44-T63 PolarHBondContact N-OG1 2.97Å; M44-V66 HydrophobicContact CE-CB 4.39Å; M44-V66 HydrophobicContact CE-CG1 3.36Å; M44-V66 HydrophobicContact CE-CG2 4.21Å
45E98.2Very high97.2Very high60 Ų6056.9 Ų56.928%0.2831%0.313SS..EExtended strand (participates in β ladder)trans-114.9139.2-175.4-67.1177.5175.100110.7V33 R34 S41 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.32Å; R34-E45 PolarHBondContact N-O 3.11Å; R34-E45 PolarHBondContact O-N 2.88Å; S41-E45 PolarHBondContact OG-OE1 3.3Å; R43-E45 PolarHBondContact O-N 2.82Å; E45-R47 IonicContact OE2-CZ 3.72Å; E45-R47 IonicContact OE2-NH1 2.81Å; E45-R47 IonicContact OE2-NH2 3.58Å; E45-R47 PolarHBondContact OE2-NH2 2.03Å
46P98.2Very high97.1Very high46 Ų4661.4 Ų61.430%0.29934%0.343SS..EExtended strand (participates in β ladder)trans-66.8146.2173.628.4-34.1000111.3I51 E52 W59P46-I51 HydrophobicContact CB-CG2 3.67Å; P46-E52 HydrophobicContact CB-CG 3.82Å; P46-E52 HydrophobicContact CG-CG 4.06Å; P46-W59 HydrophobicContact CB-CH2 3.62Å; P46-W59 HydrophobicContact CB-CZ2 4Å; P46-W59 HydrophobicContact CB-CZ3 4.48Å; P46-W59 HydrophobicContact CG-CH2 4.25Å; P46-W59 HydrophobicContact CG-CZ2 4.42Å
47R97.6Very high97.1Very high109 Ų10968.6 Ų68.641%0.41138%0.376SS..  trans-127.8-0.3173.4-61.8-63.3175.1-146.3-8.7113.6Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.12Å; Q31-R47 HydrophobicContact CG-CG 4.32Å; F32-R47 PolarHBondContact O-N 3.25Å; R34-R47 HydrophobicContact CB-CG 3.89Å; E45-R47 IonicContact OE2-CZ 3.72Å; E45-R47 IonicContact OE2-NH1 2.81Å; E45-R47 IonicContact OE2-NH2 3.58Å; E45-R47 PolarHBondContact OE2-NH2 2.03Å
48A96.5Very high97.1Very high5 Ų568.7 Ų68.74%0.04137%0.374CS..SBendtrans-137.2143.5173.900000110.9F32 W50 I51F32-A48 HydrophobicContact CB-CB 4.17Å; A48-W50 VanDerWaalsContact C-N 3.28Å; A48-W50 HydrophobicContact CB-CD2 4.17Å; A48-W50 HydrophobicContact CB-CG 4.34Å; A48-W50 HydrophobicContact CB-CZ2 4.01Å; A48-W50 PolarHBondContact O-N 2.97Å; A48-I51 WeakPolarHBondContact O-CG2 3.48Å; A48-I51 PolarHBondContact O-N 3.48Å
49P96.7Very high97.2Very high106 Ų10667.1 Ų67.169%0.68836%0.363SS*.G310 helixtrans-58.6-36.8-177.8-26.835.2000113.9I51 E52P49-I51 PolarHBondContact O-N 3.08Å; P49-E52 WeakPolarHBondContact O-CB 3.36Å; P49-E52 PolarHBondContact O-N 2.8Å; P49-E52 VanDerWaalsContact O-N 3.14Å
50W96.8Very high97.2Very high17 Ų1769.4 Ų69.46%0.06437%0.371CS..G310 helixtrans-70.2-14.4-176.154.5-105.5000114.4V27 F32 A48 Q53 Y170 L178V27-W50 HydrophobicContact CG2-CH2 3.97Å; V27-W50 HydrophobicContact CG2-CZ2 4.5Å; F32-W50 HydrophobicContact CB-CH2 3.15Å; F32-W50 HydrophobicContact CB-CZ2 3.32Å; F32-W50 HydrophobicContact CB-CZ3 4.03Å; F32-W50 HydrophobicContact CD1-CH2 4.11Å; F32-W50 AromaticContact CD2-CH2 3.8Å; F32-W50 HydrophobicContact CD2-CH2 3.8Å; F32-W50 HydrophobicContact CD2-CZ3 4.15Å; F32-W50 AromaticContact CG-CH2 3.46Å; F32-W50 HydrophobicContact CG-CH2 3.46Å; F32-W50 VanDerWaalsContact CG-CH2 3.46Å; F32-W50 HydrophobicContact CG-CZ2 4.09Å; F32-W50 HydrophobicContact CG-CZ3 4.25Å; A48-W50 VanDerWaalsContact C-N 3.28Å; A48-W50 HydrophobicContact CB-CD2 4.17Å; A48-W50 HydrophobicContact CB-CG 4.34Å; A48-W50 HydrophobicContact CB-CZ2 4.01Å; A48-W50 PolarHBondContact O-N 2.97Å; W50-Q53 WeakPolarHBondContact O-CG 2.95Å; W50-Q53 PolarHBondContact O-NE2 2.83Å; W50-Y170 HydrophobicContact CH2-CG 4.21Å; W50-Y170 AromaticContact CZ3-CD1 3.8Å; W50-Y170 HydrophobicContact CZ3-CD1 3.8Å; W50-Y170 HydrophobicContact CZ3-CD2 4.39Å; W50-Y170 AromaticContact CZ3-CG 3.69Å; W50-Y170 HydrophobicContact CZ3-CG 3.69Å; W50-L178 HydrophobicContact CD2-CD1 4.42Å; W50-L178 HydrophobicContact CH2-CD1 4.27Å; W50-L178 HydrophobicContact CZ2-CD1 3.8Å; W50-L178 HydrophobicContact CZ2-CD2 4.06Å; W50-L178 HydrophobicContact CZ2-CG 4.33Å
51I97.9Very high97.3Very high0 Ų067.6 Ų67.60%034%0.343CS..G310 helixtrans-89.8-19.3173.9-162.872000111.8F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CD2-CD1 4Å; F32-I51 HydrophobicContact CD2-CG1 4.06Å; F32-I51 HydrophobicContact CE2-CD1 4.37Å; F32-I51 VanDerWaalsContact O-CG2 3.29Å; F32-I51 WeakPolarHBondContact O-CG2 3.19Å; V33-I51 HydrophobicContact CG1-CG1 4.41Å; P46-I51 HydrophobicContact CB-CG2 3.67Å; A48-I51 WeakPolarHBondContact O-CG2 3.48Å; A48-I51 PolarHBondContact O-N 3.48Å; P49-I51 PolarHBondContact O-N 3.08Å; I51-Q53 PolarHBondContact O-N 2.81Å; I51-Q53 VanDerWaalsContact O-N 3.14Å; I51-E54 HydrophobicContact CD1-CG 3.67Å; I51-E54 HydrophobicContact CG1-CG 4.17Å; I51-E54 WeakPolarHBondContact O-CB 3.47Å; I51-E54 WeakPolarHBondContact O-CG 3.38Å; I51-E54 PolarHBondContact O-N 2.88Å; I51-Y58 HydrophobicContact CD1-CE1 4.17Å; I51-Y58 HydrophobicContact CG1-CE1 4.15Å; I51-W59 HydrophobicContact CB-CH2 4.46Å; I51-W59 HydrophobicContact CG1-CH2 3.78Å; I51-W59 HydrophobicContact CG1-CZ2 4.06Å; I51-W59 HydrophobicContact CG2-CH2 3.98Å; I51-W59 HydrophobicContact CG2-CZ2 4.38Å; I51-W59 WeakPolarHBondContact O-CZ2 3.05Å; I51-Y170 HydrophobicContact CD1-CD1 3.78Å; I51-Y170 HydrophobicContact CD1-CE1 3.31Å
52E96.9Very high97.5Very high126 Ų12666.2 Ų66.259%0.58933%0.33SS*.THydrogen-bonded Turntrans-64.1-22.2-176.8-64.7-178.5-175.600113.4P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.82Å; P46-E52 HydrophobicContact CG-CG 4.06Å; P49-E52 WeakPolarHBondContact O-CB 3.36Å; P49-E52 PolarHBondContact O-N 2.8Å; P49-E52 VanDerWaalsContact O-N 3.14Å; E52-E54 PolarHBondContact O-N 3.39Å
53Q95.9Very high97.6Very high122 Ų12262.4 Ų62.457%0.5731%0.313SS*.THydrogen-bonded Turntrans-71.2-13.3175.167.8-174.7-25.700114W50 I51 N173W50-Q53 WeakPolarHBondContact O-CG 2.95Å; W50-Q53 PolarHBondContact O-NE2 2.83Å; I51-Q53 PolarHBondContact O-N 2.81Å; I51-Q53 VanDerWaalsContact O-N 3.14Å; Q53-N173 PolarHBondContact NE2-ND2 3.28Å; Q53-N173 PolarHBondContact NE2-OD1 3.18Å
54E97.5Very high97.6Very high11 Ų1162.7 Ų62.75%0.05131%0.314CS..SBendtrans-64.7137.8176.3-67.1-61.2161.800111I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.67Å; I51-E54 HydrophobicContact CG1-CG 4.17Å; I51-E54 WeakPolarHBondContact O-CB 3.47Å; I51-E54 WeakPolarHBondContact O-CG 3.38Å; I51-E54 PolarHBondContact O-N 2.88Å; E52-E54 PolarHBondContact O-N 3.39Å; E54-Y58 HydrophobicContact CB-CD1 3.47Å; E54-Y58 VanDerWaalsContact CB-CD1 3.47Å; E54-Y58 HydrophobicContact CB-CE1 4.1Å; E54-Y58 HydrophobicContact CB-CG 3.79Å; E54-Y58 HydrophobicContact CG-CD1 3.96Å; E54-Y58 HydrophobicContact CG-CE1 4.18Å; E54-Y58 HydrophobicContact CG-CG 4.16Å; E54-W59 HydrophobicContact CB-CZ2 4.46Å; E54-W59 PolarHBondContact O-NE1 2.79Å; E54-R169 IonicContact OE1-CZ 3.66Å; E54-R169 IonicContact OE1-NE 2.98Å; E54-R169 PolarHBondContact OE1-NE 3.19Å; E54-R169 IonicContact OE1-NH2 3.85Å; E54-R169 PolarHBondContact OE1-NH2 3.04Å; E54-R169 IonicContact OE2-CZ 2.72Å; E54-R169 IonicContact OE2-NE 3.97Å; E54-R169 IonicContact OE2-NH2 3.12Å; E54-R169 PolarHBondContact OE2-NH2 3.36Å; E54-N173 PolarHBondContact OE1-ND2 3.02Å
55G97.1Very high97.6Very high35 Ų3565.7 Ų65.736%0.36133%0.33SS..  trans-70.6168.2-174.700000113.9E57 Y58 W59G55-E57 PolarHBondContact O-N 2.88Å; G55-Y58 WeakPolarHBondContact O-CB 3.14Å; G55-Y58 PolarHBondContact O-N 2.86Å; G55-Y58 VanDerWaalsContact O-N 3.08Å; G55-W59 VanDerWaalsContact O-CD1 3.26Å; G55-W59 PolarHBondContact O-N 3.34Å
56P97.5Very high97.6Very high100 Ų10063 Ų6365%0.64932%0.318SS*.Hα-helixtrans-58-33.3-17923.4-33.8000113.2Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.3Å; P56-Y58 PolarHBondContact O-N 2.71Å; P56-W59 PolarHBondContact O-N 2.81Å; P56-D60 WeakPolarHBondContact O-CB 3.47Å; P56-D60 PolarHBondContact O-N 2.69Å
57E97.9Very high97.6Very high168 Ų16864.9 Ų64.979%0.78532%0.322SS*.Hα-helixtrans-60.1-38.3177.6-64.9179179.200112.7G55 Q61G55-E57 PolarHBondContact O-N 2.88Å; E57-Q61 VanDerWaalsContact O-CB 3.25Å; E57-Q61 WeakPolarHBondContact O-CB 3.38Å; E57-Q61 PolarHBondContact O-N 3.42Å
58Y98Very high97.6Very high16 Ų1662.4 Ų62.46%0.06332%0.324CS..Hα-helixtrans-63.3-51.7175.1170-96.4000110.4I51 E54 G55 P56 D60 Q61 E62 W166 Y170I51-Y58 HydrophobicContact CD1-CE1 4.17Å; I51-Y58 HydrophobicContact CG1-CE1 4.15Å; E54-Y58 HydrophobicContact CB-CD1 3.47Å; E54-Y58 VanDerWaalsContact CB-CD1 3.47Å; E54-Y58 HydrophobicContact CB-CE1 4.1Å; E54-Y58 HydrophobicContact CB-CG 3.79Å; E54-Y58 HydrophobicContact CG-CD1 3.96Å; E54-Y58 HydrophobicContact CG-CE1 4.18Å; E54-Y58 HydrophobicContact CG-CG 4.16Å; G55-Y58 WeakPolarHBondContact O-CB 3.14Å; G55-Y58 PolarHBondContact O-N 2.86Å; G55-Y58 VanDerWaalsContact O-N 3.08Å; P56-Y58 VanDerWaalsContact C-N 3.3Å; P56-Y58 PolarHBondContact O-N 2.71Å; Y58-D60 VanDerWaalsContact C-N 3.33Å; Y58-D60 PolarHBondContact O-N 2.67Å; Y58-Q61 PolarHBondContact O-N 2.99Å; Y58-E62 HydrophobicContact CD1-CG 4.4Å; Y58-E62 HydrophobicContact CD2-CG 4.07Å; Y58-E62 HydrophobicContact CE1-CG 4.03Å; Y58-E62 HydrophobicContact CE2-CG 3.65Å; Y58-E62 HydrophobicContact CG-CG 4.43Å; Y58-E62 WeakPolarHBondContact O-CB 3.48Å; Y58-E62 WeakPolarHBondContact O-CG 3.47Å; Y58-E62 PolarHBondContact O-N 3.43Å; Y58-W166 AromaticContact CD2-CH2 3.45Å; Y58-W166 HydrophobicContact CD2-CH2 3.45Å; Y58-W166 VanDerWaalsContact CD2-CH2 3.45Å; Y58-W166 HydrophobicContact CD2-CZ2 4.05Å; Y58-W166 AromaticContact CD2-CZ3 3.86Å; Y58-W166 HydrophobicContact CD2-CZ3 3.86Å; Y58-W166 HydrophobicContact CE2-CE3 4.38Å; Y58-W166 AromaticContact CE2-CH2 3.83Å; Y58-W166 HydrophobicContact CE2-CH2 3.83Å; Y58-W166 HydrophobicContact CE2-CZ2 4.31Å; Y58-W166 AromaticContact CE2-CZ3 3.86Å; Y58-W166 HydrophobicContact CE2-CZ3 3.86Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.19Å; Y58-Y170 PolarHBondContact OH-OH 2.99Å
59W98.4Very high97.7Very high40 Ų4064.1 Ų64.115%0.15233%0.332CS..Hα-helixtrans-63.5-37.9-178.7-63.7111.8000113V33 M44 P46 I51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.14Å; V33-W59 HydrophobicContact CG1-CZ3 3.92Å; M44-W59 HydrophobicContact CB-CE3 4.25Å; M44-W59 HydrophobicContact CG-CE3 4.13Å; M44-W59 HydrophobicContact CG-CZ3 3.96Å; P46-W59 HydrophobicContact CB-CH2 3.62Å; P46-W59 HydrophobicContact CB-CZ2 4Å; P46-W59 HydrophobicContact CB-CZ3 4.48Å; P46-W59 HydrophobicContact CG-CH2 4.25Å; P46-W59 HydrophobicContact CG-CZ2 4.42Å; I51-W59 HydrophobicContact CB-CH2 4.46Å; I51-W59 HydrophobicContact CG1-CH2 3.78Å; I51-W59 HydrophobicContact CG1-CZ2 4.06Å; I51-W59 HydrophobicContact CG2-CH2 3.98Å; I51-W59 HydrophobicContact CG2-CZ2 4.38Å; I51-W59 WeakPolarHBondContact O-CZ2 3.05Å; E54-W59 HydrophobicContact CB-CZ2 4.46Å; E54-W59 PolarHBondContact O-NE1 2.79Å; G55-W59 VanDerWaalsContact O-CD1 3.26Å; G55-W59 PolarHBondContact O-N 3.34Å; P56-W59 PolarHBondContact O-N 2.81Å; W59-T63 WeakPolarHBondContact O-CB 3.27Å; W59-T63 PolarHBondContact O-N 3.46Å; W59-T63 PolarHBondContact O-OG1 3.01Å
60D98.3Very high97.7Very high79 Ų7959.9 Ų59.942%0.42231%0.305SS..Hα-helixtrans-70.2-38.4176-77.2-23.1000111.9P56 Y58 R64P56-D60 WeakPolarHBondContact O-CB 3.47Å; P56-D60 PolarHBondContact O-N 2.69Å; Y58-D60 VanDerWaalsContact C-N 3.33Å; Y58-D60 PolarHBondContact O-N 2.67Å; D60-R64 WeakPolarHBondContact O-CB 3.49Å; D60-R64 VanDerWaalsContact O-CG 3.31Å; D60-R64 WeakPolarHBondContact O-CG 3.32Å; D60-R64 PolarHBondContact O-N 3.09Å; D60-R64 PolarHBondContact O-NE 3.25Å
61Q97.9Very high97.8Very high76 Ų7663.6 Ų63.636%0.35532%0.323SS..Hα-helixtrans-66.7-49.7174.6-175.562.652.900111.3E57 Y58 T63 R64 N65E57-Q61 VanDerWaalsContact O-CB 3.25Å; E57-Q61 WeakPolarHBondContact O-CB 3.38Å; E57-Q61 PolarHBondContact O-N 3.42Å; Y58-Q61 PolarHBondContact O-N 2.99Å; Q61-T63 VanDerWaalsContact C-N 3.33Å; Q61-T63 PolarHBondContact O-N 2.97Å; Q61-R64 PolarHBondContact O-N 2.93Å; Q61-R64 VanDerWaalsContact O-N 3.13Å; Q61-N65 PolarHBondContact NE2-OD1 3.3Å; Q61-N65 PolarHBondContact O-N 3.45Å; Q61-N65 PolarHBondContact O-ND2 3.03Å; Q61-N65 PolarHBondContact O-OD1 3.31Å
62E98Very high97.8Very high27 Ų2766.8 Ų66.813%0.12634%0.342CS..Hα-helixtrans-62.1-41.7179.5-72.2-55.8101.600111.6M44 Y58 R64 N65 V66M44-E62 HydrophobicContact CB-CB 4.13Å; M44-E62 HydrophobicContact CE-CB 4.42Å; M44-E62 HydrophobicContact CG-CB 4.1Å; Y58-E62 HydrophobicContact CD1-CG 4.4Å; Y58-E62 HydrophobicContact CD2-CG 4.07Å; Y58-E62 HydrophobicContact CE1-CG 4.03Å; Y58-E62 HydrophobicContact CE2-CG 3.65Å; Y58-E62 HydrophobicContact CG-CG 4.43Å; Y58-E62 WeakPolarHBondContact O-CB 3.48Å; Y58-E62 WeakPolarHBondContact O-CG 3.47Å; Y58-E62 PolarHBondContact O-N 3.43Å; E62-R64 VanDerWaalsContact C-N 3.34Å; E62-R64 PolarHBondContact O-N 2.93Å; E62-N65 PolarHBondContact O-N 2.86Å; E62-N65 PolarHBondContact OE1-ND2 3.39Å; E62-V66 WeakPolarHBondContact O-CG2 3.23Å; E62-V66 PolarHBondContact O-N 3.38Å
63T98.6Very high97.8Very high11 Ų1160.8 Ų60.87%0.06731%0.314CS..Hα-helixtrans-61.1-42.1174.3-62.90000111.8R43 M44 W59 Q61 V66 K67R43-T63 HydrophobicContact CG-CG2 4.08Å; M44-T63 PolarHBondContact N-OG1 2.97Å; W59-T63 WeakPolarHBondContact O-CB 3.27Å; W59-T63 PolarHBondContact O-N 3.46Å; W59-T63 PolarHBondContact O-OG1 3.01Å; Q61-T63 VanDerWaalsContact C-N 3.33Å; Q61-T63 PolarHBondContact O-N 2.97Å; T63-V66 WeakPolarHBondContact O-CG2 3.41Å; T63-K67 HydrophobicContact CG2-CD 4.2Å; T63-K67 WeakPolarHBondContact O-CB 3.48Å; T63-K67 VanDerWaalsContact O-CG 3.31Å; T63-K67 WeakPolarHBondContact O-CG 3.27Å; T63-K67 PolarHBondContact O-N 2.99Å; T63-K67 VanDerWaalsContact O-N 3.1Å
64R98.4Very high97.9Very high153 Ų15359.5 Ų59.558%0.57730%0.304SS*.Hα-helixtrans-64.4-43.7176.2-79-174.7-67.4150.5-0.6111.6D60 Q61 E62 K67 A68D60-R64 WeakPolarHBondContact O-CB 3.49Å; D60-R64 VanDerWaalsContact O-CG 3.31Å; D60-R64 WeakPolarHBondContact O-CG 3.32Å; D60-R64 PolarHBondContact O-N 3.09Å; D60-R64 PolarHBondContact O-NE 3.25Å; Q61-R64 PolarHBondContact O-N 2.93Å; Q61-R64 VanDerWaalsContact O-N 3.13Å; E62-R64 VanDerWaalsContact C-N 3.34Å; E62-R64 PolarHBondContact O-N 2.93Å; R64-K67 PolarHBondContact O-N 2.93Å; R64-A68 WeakPolarHBondContact O-CB 3.46Å; R64-A68 PolarHBondContact O-N 2.91Å
65N97.4Very high97.9Very high72 Ų7263.2 Ų63.239%0.38533%0.327SS..Hα-helixtrans-58.9-51.8179.2-68.4-14.8000111.2Q61 E62 K67 A68 Q69Q61-N65 PolarHBondContact NE2-OD1 3.3Å; Q61-N65 PolarHBondContact O-N 3.45Å; Q61-N65 PolarHBondContact O-ND2 3.03Å; Q61-N65 PolarHBondContact O-OD1 3.31Å; E62-N65 PolarHBondContact O-N 2.86Å; E62-N65 PolarHBondContact OE1-ND2 3.39Å; N65-K67 VanDerWaalsContact C-N 3.34Å; N65-K67 PolarHBondContact O-N 2.95Å; N65-A68 PolarHBondContact O-N 3.48Å; N65-Q69 PolarHBondContact O-N 3.4Å
66V98Very high98Very high4 Ų463.8 Ų63.82%0.02432%0.322CS..Hα-helixtrans-69.3-29.4-179.6-65.10000113.6F21 A23 F35 M44 E62 T63 Q69 S70F21-V66 HydrophobicContact CE1-CB 4.18Å; A23-V66 HydrophobicContact CB-CG1 4.22Å; F35-V66 HydrophobicContact CB-CG2 4.01Å; F35-V66 HydrophobicContact CD1-CG2 4.19Å; F35-V66 HydrophobicContact CD2-CG2 3.39Å; F35-V66 HydrophobicContact CE2-CG2 3.81Å; F35-V66 HydrophobicContact CG-CB 4.31Å; F35-V66 HydrophobicContact CG-CG2 3.61Å; F35-V66 HydrophobicContact CZ-CG2 4.39Å; M44-V66 HydrophobicContact CE-CB 4.39Å; M44-V66 HydrophobicContact CE-CG1 3.36Å; M44-V66 HydrophobicContact CE-CG2 4.21Å; E62-V66 WeakPolarHBondContact O-CG2 3.23Å; E62-V66 PolarHBondContact O-N 3.38Å; T63-V66 WeakPolarHBondContact O-CG2 3.41Å; V66-Q69 PolarHBondContact O-N 3.43Å; V66-S70 WeakPolarHBondContact O-CB 3.45Å; V66-S70 PolarHBondContact O-N 3.35Å
67K98.3Very high98Very high85 Ų8559.4 Ų59.437%0.3729%0.293SS..Hα-helixtrans-67.5-41.2171.4-77-175.6-179.9-175.60111.9F35 Q42 T63 R64 N65 S70 Q71F35-K67 HydrophobicContact CE2-CG 4.18Å; F35-K67 HydrophobicContact CZ-CG 4.07Å; Q42-K67 WeakPolarHBondContact O-CE 3.32Å; Q42-K67 PolarHBondContact O-NZ 3.39Å; T63-K67 HydrophobicContact CG2-CD 4.2Å; T63-K67 WeakPolarHBondContact O-CB 3.48Å; T63-K67 VanDerWaalsContact O-CG 3.31Å; T63-K67 WeakPolarHBondContact O-CG 3.27Å; T63-K67 PolarHBondContact O-N 2.99Å; T63-K67 VanDerWaalsContact O-N 3.1Å; R64-K67 PolarHBondContact O-N 2.93Å; N65-K67 VanDerWaalsContact C-N 3.34Å; N65-K67 PolarHBondContact O-N 2.95Å; K67-S70 PolarHBondContact O-N 3.3Å; K67-Q71 WeakPolarHBondContact O-CG 3.38Å; K67-Q71 PolarHBondContact O-N 3.42Å; K67-Q71 VanDerWaalsContact O-N 3.15Å
68A98.2Very high97.9Very high57 Ų5753.1 Ų53.147%0.47127%0.274SS..Hα-helixtrans-63.9-42.5174.900000111.3R64 N65 Q71 T72R64-A68 WeakPolarHBondContact O-CB 3.46Å; R64-A68 PolarHBondContact O-N 2.91Å; N65-A68 PolarHBondContact O-N 3.48Å; A68-Q71 PolarHBondContact O-N 2.95Å; A68-T72 PolarHBondContact O-N 3.39Å; A68-T72 PolarHBondContact O-OG1 2.94Å
69Q97.9Very high97.9Very high42 Ų4254.7 Ų54.720%0.19629%0.285CS..Hα-helixtrans-61.9-45.1174.2-172.166.854.400111.7F8 F21 N65 V66 Q71 T72 D73F8-Q69 HydrophobicContact CD2-CG 3.59Å; F8-Q69 HydrophobicContact CE2-CB 4.32Å; F8-Q69 HydrophobicContact CE2-CG 3.62Å; F21-Q69 HydrophobicContact CE2-CB 4.42Å; F21-Q69 HydrophobicContact CE2-CG 3.96Å; F21-Q69 HydrophobicContact CZ-CB 4.2Å; F21-Q69 HydrophobicContact CZ-CG 4.03Å; N65-Q69 PolarHBondContact O-N 3.4Å; V66-Q69 PolarHBondContact O-N 3.43Å; Q69-Q71 PolarHBondContact O-N 3.16Å; Q69-T72 CarbonylContact O-C 3.58Å; Q69-T72 WeakPolarHBondContact O-CA 3.27Å; Q69-T72 WeakPolarHBondContact O-CB 3.36Å; Q69-T72 PolarHBondContact O-N 2.92Å; Q69-D73 PolarHBondContact NE2-OD1 2.89Å; Q69-D73 PolarHBondContact O-N 2.74Å
70S97.9Very high97.9Very high17 Ų1753.1 Ų53.112%0.11928%0.279CS..Hα-helixtrans-56.5-37.2176.9172.40000113F21 V66 K67 R74F21-S70 WeakPolarHBondContact CB-OG 3.36Å; V66-S70 WeakPolarHBondContact O-CB 3.45Å; V66-S70 PolarHBondContact O-N 3.35Å; K67-S70 PolarHBondContact O-N 3.3Å; S70-R74 PolarHBondContact O-N 2.89Å; S70-R74 VanDerWaalsContact O-N 3.15Å
71Q97.9Very high97.8Very high94 Ų9452.9 Ų52.944%0.43927%0.273SS..Hα-helixtrans-71-36174.2-65.5-54.7-54.100112.6K67 A68 Q69 R74 V75K67-Q71 WeakPolarHBondContact O-CG 3.38Å; K67-Q71 PolarHBondContact O-N 3.42Å; K67-Q71 VanDerWaalsContact O-N 3.15Å; A68-Q71 PolarHBondContact O-N 2.95Å; Q69-Q71 PolarHBondContact O-N 3.16Å; Q71-R74 PolarHBondContact O-N 3.49Å; Q71-R74 VanDerWaalsContact OE1-CZ 3.27Å; Q71-V75 WeakPolarHBondContact O-CG2 3.42Å; Q71-V75 PolarHBondContact O-N 2.91Å
72T97.8Very high97.8Very high67 Ų6751.3 Ų51.341%0.41128%0.277SS..Hα-helixtrans-64-52.3175.6-55.30000110.2A68 Q69 R74 V75 D76A68-T72 PolarHBondContact O-N 3.39Å; A68-T72 PolarHBondContact O-OG1 2.94Å; Q69-T72 CarbonylContact O-C 3.58Å; Q69-T72 WeakPolarHBondContact O-CA 3.27Å; Q69-T72 WeakPolarHBondContact O-CB 3.36Å; Q69-T72 PolarHBondContact O-N 2.92Å; T72-R74 PolarHBondContact O-N 2.95Å; T72-V75 WeakPolarHBondContact O-CA 3.43Å; T72-V75 WeakPolarHBondContact O-CB 3.42Å; T72-V75 PolarHBondContact O-N 3.46Å; T72-D76 PolarHBondContact O-N 2.74Å
73D97.6Very high97.8Very high0 Ų052.6 Ų52.60%028%0.281CS..Hα-helixtrans-57.6-35.3177.4-77.329.9000112.6S10 F21 Q69 D76 L77S10-D73 WeakPolarHBondContact OG-CB 3.48Å; S10-D73 PolarHBondContact OG-OD2 2.97Å; F21-D73 HydrophobicContact CD2-CB 4.36Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.46Å; Q69-D73 PolarHBondContact NE2-OD1 2.89Å; Q69-D73 PolarHBondContact O-N 2.74Å; D73-D76 PolarHBondContact O-N 2.95Å; D73-L77 WeakPolarHBondContact O-CB 3.28Å; D73-L77 VanDerWaalsContact O-CG 3.28Å; D73-L77 WeakPolarHBondContact O-CG 3.24Å; D73-L77 PolarHBondContact O-N 3.45Å
74R97.3Very high97.8Very high95 Ų9555.3 Ų55.336%0.35829%0.29SS..Hα-helixtrans-60.9-46.7174175.217873160.63.7111.7E18 P19 S70 Q71 T72 D76 G78E18-R74 IonicContact OE1-NH1 3.93Å; E18-R74 PolarHBondContact OE1-NH1 3.26Å; E18-R74 WeakPolarHBondContact OE2-CD 3.4Å; E18-R74 IonicContact OE2-CZ 2.79Å; E18-R74 IonicContact OE2-NE 3.31Å; E18-R74 IonicContact OE2-NH1 3.37Å; E18-R74 PolarHBondContact OE2-NH1 3.28Å; P19-R74 HydrophobicContact CG-CB 4.44Å; P19-R74 HydrophobicContact CG-CG 4.14Å; S70-R74 PolarHBondContact O-N 2.89Å; S70-R74 VanDerWaalsContact O-N 3.15Å; Q71-R74 PolarHBondContact O-N 3.49Å; Q71-R74 VanDerWaalsContact OE1-CZ 3.27Å; T72-R74 PolarHBondContact O-N 2.95Å; R74-D76 VanDerWaalsContact C-N 3.32Å; R74-G78 PolarHBondContact O-N 2.9Å
75V97.8Very high97.7Very high89 Ų8955.2 Ų55.254%0.53930%0.302SS..Hα-helixtrans-66.9-39.7178.7174.90000110.2Q71 T72 G78 T79Q71-V75 WeakPolarHBondContact O-CG2 3.42Å; Q71-V75 PolarHBondContact O-N 2.91Å; T72-V75 WeakPolarHBondContact O-CA 3.43Å; T72-V75 WeakPolarHBondContact O-CB 3.42Å; T72-V75 PolarHBondContact O-N 3.46Å; V75-G78 PolarHBondContact O-N 3.22Å; V75-T79 PolarHBondContact O-N 3.35Å; V75-T79 PolarHBondContact O-OG1 3.31Å
76D97.9Very high97.7Very high47 Ų4754.7 Ų54.725%0.25130%0.297SS..Hα-helixtrans-65.5-42.3178.9-70.5-19.7000111.8T72 D73 R74 G78 T79 L80 M94T72-D76 PolarHBondContact O-N 2.74Å; D73-D76 PolarHBondContact O-N 2.95Å; R74-D76 VanDerWaalsContact C-N 3.32Å; D76-G78 VanDerWaalsContact C-N 3.27Å; D76-G78 PolarHBondContact O-N 2.94Å; D76-T79 CarbonylContact O-C 3.56Å; D76-T79 WeakPolarHBondContact O-CB 3.12Å; D76-T79 PolarHBondContact O-N 3.38Å; D76-L80 WeakPolarHBondContact O-CB 3.43Å; D76-L80 VanDerWaalsContact O-CG 3.25Å; D76-L80 WeakPolarHBondContact O-CG 3.4Å; D76-L80 PolarHBondContact O-N 2.95Å; D76-M94 HydrophobicContact CB-CE 4Å; D76-M94 HydrophobicContact CB-SD 3.61Å
77L98Very high97.6Very high8 Ų858.3 Ų58.34%0.04232%0.322CS..Hα-helixtrans-55.6-42.1173.3-80.1168.6000112.2P19 D73 R81 H92 M94 Y117P19-L77 HydrophobicContact CB-CD1 3.69Å; P19-L77 HydrophobicContact CG-CD1 3.84Å; D73-L77 WeakPolarHBondContact O-CB 3.28Å; D73-L77 VanDerWaalsContact O-CG 3.28Å; D73-L77 WeakPolarHBondContact O-CG 3.24Å; D73-L77 PolarHBondContact O-N 3.45Å; L77-R81 VanDerWaalsContact O-CB 3.32Å; L77-R81 WeakPolarHBondContact O-CB 3.31Å; L77-R81 PolarHBondContact O-N 2.9Å; L77-R81 VanDerWaalsContact O-N 3.14Å; L77-H92 HydrophobicContact CD2-CB 4.29Å; L77-M94 HydrophobicContact CD2-CB 3.77Å; L77-M94 HydrophobicContact CG-CB 4.2Å; L77-Y117 HydrophobicContact CD2-CE2 4.1Å
78G96.6Very high97.3Very high37 Ų3760.7 Ų60.738%0.38134%0.335SS..Hα-helixtrans-67.7-38.8175.400000112.9R74 V75 D76 G82R74-G78 PolarHBondContact O-N 2.9Å; V75-G78 PolarHBondContact O-N 3.22Å; D76-G78 VanDerWaalsContact C-N 3.27Å; D76-G78 PolarHBondContact O-N 2.94Å; G78-G82 PolarHBondContact O-N 2.89Å
79T97.8Very high97.1Very high48 Ų4862 Ų6229%0.29435%0.345SS..Hα-helixtrans-67.5-48.2178.6-60.50000111.7V75 D76 G82 Y83V75-T79 PolarHBondContact O-N 3.35Å; V75-T79 PolarHBondContact O-OG1 3.31Å; D76-T79 CarbonylContact O-C 3.56Å; D76-T79 WeakPolarHBondContact O-CB 3.12Å; D76-T79 PolarHBondContact O-N 3.38Å; T79-G82 WeakPolarHBondContact O-CA 3.48Å; T79-G82 PolarHBondContact O-N 3.47Å; T79-G82 VanDerWaalsContact O-N 3.09Å; T79-Y83 HydrophobicContact CG2-CD1 4.37Å; T79-Y83 HydrophobicContact CG2-CD2 4.39Å; T79-Y83 HydrophobicContact CG2-CE1 3.75Å; T79-Y83 HydrophobicContact CG2-CE2 3.79Å; T79-Y83 VanDerWaalsContact CG2-CZ 3.42Å; T79-Y83 PolarHBondContact O-N 2.9Å
80L98Very high96.9Very high7 Ų761.2 Ų61.24%0.03735%0.349CS..Hα-helixtrans-60.9-46.2178.6-69.5169.6000110.9D76 G82 Y83 Y84 M94 Y117 Y122D76-L80 WeakPolarHBondContact O-CB 3.43Å; D76-L80 VanDerWaalsContact O-CG 3.25Å; D76-L80 WeakPolarHBondContact O-CG 3.4Å; D76-L80 PolarHBondContact O-N 2.95Å; L80-G82 PolarHBondContact O-N 3.4Å; L80-Y83 HydrophobicContact CD2-CD2 4.45Å; L80-Y83 PolarHBondContact O-N 3.33Å; L80-Y84 HydrophobicContact CD2-CE2 4.42Å; L80-Y84 VanDerWaalsContact O-CD2 3.23Å; L80-Y84 WeakPolarHBondContact O-CD2 3.29Å; L80-Y84 PolarHBondContact O-N 2.83Å; L80-M94 HydrophobicContact CD1-CG 4.42Å; L80-M94 HydrophobicContact CD1-SD 3.89Å; L80-Y117 HydrophobicContact CB-CD1 4.44Å; L80-Y117 HydrophobicContact CB-CD2 4.13Å; L80-Y117 HydrophobicContact CB-CE1 4.1Å; L80-Y117 HydrophobicContact CB-CE2 3.77Å; L80-Y117 HydrophobicContact CB-CG 4.43Å; L80-Y117 HydrophobicContact CD1-CD2 3.54Å; L80-Y117 HydrophobicContact CD1-CE2 3.9Å; L80-Y117 HydrophobicContact CD1-CG 4.02Å; L80-Y117 HydrophobicContact CG-CD2 4.4Å; L80-Y117 HydrophobicContact CG-CE2 4.47Å; L80-Y122 HydrophobicContact CD2-CD1 4.37Å; L80-Y122 HydrophobicContact CD2-CD2 4.15Å; L80-Y122 HydrophobicContact CD2-CE1 3.74Å; L80-Y122 HydrophobicContact CD2-CE2 3.46Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.46Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.49Å
81R97.3Very high96.9Very high74 Ų7464 Ų6428%0.27937%0.368SS..Hα-helixtrans-52.4-42.3173.4-175.1-170.268.2174.311.7111.8L77 N85 Q86 E88 Y117L77-R81 VanDerWaalsContact O-CB 3.32Å; L77-R81 WeakPolarHBondContact O-CB 3.31Å; L77-R81 PolarHBondContact O-N 2.9Å; L77-R81 VanDerWaalsContact O-N 3.14Å; R81-N85 PolarHBondContact O-N 3.26Å; R81-N85 VanDerWaalsContact O-N 3.16Å; R81-Q86 HydrophobicContact CG-CB 3.83Å; R81-Q86 PolarHBondContact O-N 3.5Å; R81-E88 IonicContact CZ-OE1 3Å; R81-E88 IonicContact NH1-OE1 2.9Å; R81-E88 PolarHBondContact NH1-OE1 2.7Å; R81-E88 IonicContact NH2-OE1 3.73Å; R81-E88 PolarHBondContact NH2-OE1 3.22Å; R81-Y117 PolarHBondContact N-OH 3.33Å
82G97.4Very high96.9Very high43 Ų4360.2 Ų60.244%0.44335%0.35SS..Hα-helixtrans-65.2-46.7175.400000113.1G78 T79 L80 Y84 N85G78-G82 PolarHBondContact O-N 2.89Å; T79-G82 WeakPolarHBondContact O-CA 3.48Å; T79-G82 PolarHBondContact O-N 3.47Å; T79-G82 VanDerWaalsContact O-N 3.09Å; L80-G82 PolarHBondContact O-N 3.4Å; G82-Y84 VanDerWaalsContact C-N 3.25Å; G82-Y84 PolarHBondContact O-N 3.18Å; G82-N85 PolarHBondContact O-N 2.98Å; G82-N85 VanDerWaalsContact O-N 3.11Å
83Y98Very high97Very high55 Ų5558.8 Ų58.822%0.21634%0.342CS..Hα-helixtrans-59.7-36.5178.3-67.4-10.7000112.9T79 L80 A138 I141 K145T79-Y83 HydrophobicContact CG2-CD1 4.37Å; T79-Y83 HydrophobicContact CG2-CD2 4.39Å; T79-Y83 HydrophobicContact CG2-CE1 3.75Å; T79-Y83 HydrophobicContact CG2-CE2 3.79Å; T79-Y83 VanDerWaalsContact CG2-CZ 3.42Å; T79-Y83 PolarHBondContact O-N 2.9Å; L80-Y83 HydrophobicContact CD2-CD2 4.45Å; L80-Y83 PolarHBondContact O-N 3.33Å; Y83-A138 HydrophobicContact CD2-CB 4.47Å; Y83-I141 HydrophobicContact CD1-CD1 4.17Å; Y83-I141 HydrophobicContact CD2-CD1 4.43Å; Y83-I141 HydrophobicContact CE1-CD1 4.33Å; Y83-I141 HydrophobicContact CE1-CG2 4.14Å; Y83-I141 HydrophobicContact CE2-CB 4.1Å; Y83-I141 HydrophobicContact CE2-CG2 4.05Å; Y83-I141 HydrophobicContact CG-CD1 4.23Å; Y83-I141 WeakPolarHBondContact OH-CG2 3.4Å; Y83-K145 PolarHBondContact OH-NZ 2.92Å
84Y97.9Very high97Very high67 Ų6759.1 Ų59.126%0.26334%0.344SS..THydrogen-bonded Turntrans-90.13.5179-69.1-71.3000114L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.42Å; L80-Y84 VanDerWaalsContact O-CD2 3.23Å; L80-Y84 WeakPolarHBondContact O-CD2 3.29Å; L80-Y84 PolarHBondContact O-N 2.83Å; G82-Y84 VanDerWaalsContact C-N 3.25Å; G82-Y84 PolarHBondContact O-N 3.18Å; Y84-Q86 PolarHBondContact O-N 3.38Å; Y84-Y117 AromaticContact CD2-CD1 3.75Å; Y84-Y117 HydrophobicContact CD2-CD1 3.75Å; Y84-Y117 AromaticContact CD2-CE1 3.53Å; Y84-Y117 HydrophobicContact CD2-CE1 3.53Å; Y84-Y117 AromaticContact CE2-CD1 3.54Å; Y84-Y117 HydrophobicContact CE2-CD1 3.54Å; Y84-Y117 AromaticContact CE2-CE1 3.85Å; Y84-Y117 HydrophobicContact CE2-CE1 3.85Å; Y84-Y117 HydrophobicContact CG-CE1 4.44Å; Y84-Y122 HydrophobicContact CE2-CD2 4.38Å; Y84-Y122 HydrophobicContact CE2-CE2 4.09Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.32Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.33Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.31Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.24Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.34Å; Y84-D136 VanDerWaalsContact OH-CG 3.25Å; Y84-D136 PolarHBondContact OH-OD1 2.84Å; Y84-D136 PolarHBondContact OH-OD2 2.81Å; Y84-A138 HydrophobicContact CD1-CB 4.2Å; Y84-A138 HydrophobicContact CD2-CB 4.47Å; Y84-A138 HydrophobicContact CE1-CB 3.62Å; Y84-A138 HydrophobicContact CE2-CB 3.91Å; Y84-A138 VanDerWaalsContact CZ-CB 3.46Å
85N97.1Very high97.1Very high152 Ų15258.3 Ų58.381%0.81334%0.344SS*.THydrogen-bonded Turntrans5240.1-177.1-57.8-61.2000113.3R81 G82R81-N85 PolarHBondContact O-N 3.26Å; R81-N85 VanDerWaalsContact O-N 3.16Å; G82-N85 PolarHBondContact O-N 2.98Å; G82-N85 VanDerWaalsContact O-N 3.11Å
86Q97.3Very high97.1Very high61 Ų6154.3 Ų54.329%0.28532%0.32SS..  trans-87.6153.9-176.8-70.6166.2-34.200112R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.83Å; R81-Q86 PolarHBondContact O-N 3.5Å; Y84-Q86 PolarHBondContact O-N 3.38Å; Q86-H92 PolarHBondContact NE2-CE1 3.22Å; Q86-H92 PolarHBondContact OE1-CE1 3.21Å; Q86-H92 PolarHBondContact OE1-ND1 3.13Å; Q86-Y117 PolarHBondContact OE1-OH 2.98Å; Q86-D118 PolarHBondContact NE2-OD2 3.42Å
87S95.7Very high97.1Very high80 Ų8053.4 Ų53.456%0.55931%0.314SS*.  trans-69.6145.9-180176.20000112.3A89 G90S87-A89 PolarHBondContact O-N 3.48Å; S87-A89 PolarHBondContact OG-N 3.29Å; S87-G90 PolarHBondContact O-N 2.71Å
88E92.7Very high97.2Very high134 Ų13454.5 Ų54.563%0.62632%0.318SS*.THydrogen-bonded Turntrans-67.2-19.1174.9-52.3-155.9126.400113.9P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.29Å; P14-E88 VanDerWaalsContact CG-O 3.23Å; P14-E88 WeakPolarHBondContact CG-O 3.47Å; R81-E88 IonicContact CZ-OE1 3Å; R81-E88 IonicContact NH1-OE1 2.9Å; R81-E88 PolarHBondContact NH1-OE1 2.7Å; R81-E88 IonicContact NH2-OE1 3.73Å; R81-E88 PolarHBondContact NH2-OE1 3.22Å; E88-G90 VanDerWaalsContact C-N 3.29Å
89A93.6Very high97.2Very high84 Ų8452.8 Ų52.869%0.69430%0.3SS*.THydrogen-bonded Turntrans-79.1-14.4177.900000113S87S87-A89 PolarHBondContact O-N 3.48Å; S87-A89 PolarHBondContact OG-N 3.29Å
90G94.1Very high97.3Very high27 Ų2750.5 Ų50.528%0.27829%0.286SS..SBendtrans-75.6137.8179.800000112.4P14 S87 E88 H92P14-G90 WeakPolarHBondContact CG-O 3.34Å; S87-G90 PolarHBondContact O-N 2.71Å; E88-G90 VanDerWaalsContact C-N 3.29Å; G90-H92 PolarHBondContact O-CD2 2.61Å
91S97.4Very high97.3Very high74 Ų7451.4 Ų51.452%0.51729%0.291SS..  trans-86.5130.1165179.10000108.7S12S12-S91 WeakPolarHBondContact O-CB 3.46Å; S12-S91 PolarHBondContact O-OG 3.04Å
92H98.3Very high97.4Very high15 Ų1547.9 Ų47.97%0.06928%0.278CS..  trans-125.6149.6-178.5-61.8-74.4000111.2S12 L77 Q86 G90 Y117 D118S12-H92 PolarHBondContact N-O 3.18Å; S12-H92 WeakPolarHBondContact OG-CA 3.31Å; S12-H92 PolarHBondContact OG-N 2.95Å; S12-H92 PolarHBondContact OG-O 3.35Å; L77-H92 HydrophobicContact CD2-CB 4.29Å; Q86-H92 PolarHBondContact NE2-CE1 3.22Å; Q86-H92 PolarHBondContact OE1-CE1 3.21Å; Q86-H92 PolarHBondContact OE1-ND1 3.13Å; G90-H92 PolarHBondContact O-CD2 2.61Å; H92-Y117 HydrophobicContact CB-CE2 3.83Å; H92-Y117 WeakPolarHBondContact CB-OH 3.22Å; H92-Y117 AromaticContact CG-CZ 3.97Å; H92-Y117 AromaticContact ND1-CZ 3.93Å; H92-Y117 PolarHBondContact ND1-OH 3.45Å; H92-D118 WeakPolarHBondContact CA-OD1 3.32Å; H92-D118 WeakPolarHBondContact CB-OD1 3.23Å; H92-D118 IonicContact CE1-OD2 3.62Å; H92-D118 IonicContact CG-OD1 3.82Å; H92-D118 IonicContact CG-OD2 3.48Å; H92-D118 IonicContact ND1-OD1 2.68Å; H92-D118 IonicContact ND1-OD2 3.43Å; H92-D118 PolarHBondContact ND1-OD2 3.28Å
93T98.6Very high97.3Very high38 Ų3846.3 Ų46.323%0.23326%0.261CS..EExtended strand (participates in β ladder)trans-120.6130-177.4-55.50000110.7T9 S10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 4.06Å; S10-T93 CarbonylContact O-C 3.55Å; S10-T93 WeakPolarHBondContact O-CA 3.49Å; V11-T93 HydrophobicContact CG2-CG2 4.16Å; T93-Q95 HydrophobicContact CG2-CG 3.98Å; T93-Y117 CarbonylContact O-C 3.59Å; T93-Y117 WeakPolarHBondContact O-CA 3.36Å; T93-Y117 VanDerWaalsContact O-CD2 3.31Å; T93-Y117 WeakPolarHBondContact O-CD2 3.39Å; T93-D118 PolarHBondContact N-OD1 2.99Å; T93-D118 PolarHBondContact O-N 2.82Å
94M98.3Very high97.1Very high7 Ų749.5 Ų49.53%0.03429%0.292CS..EExtended strand (participates in β ladder)trans-114134.3168.6-178.3173.9175.100108.6T9 S10 D76 L77 L80 V96 A116T9-M94 WeakPolarHBondContact CA-O 3.37Å; S10-M94 PolarHBondContact N-O 2.95Å; S10-M94 PolarHBondContact O-N 3.21Å; D76-M94 HydrophobicContact CB-CE 4Å; D76-M94 HydrophobicContact CB-SD 3.61Å; L77-M94 HydrophobicContact CD2-CB 3.77Å; L77-M94 HydrophobicContact CG-CB 4.2Å; L80-M94 HydrophobicContact CD1-CG 4.42Å; L80-M94 HydrophobicContact CD1-SD 3.89Å; M94-V96 HydrophobicContact CE-CG2 4.07Å; M94-A116 WeakPolarHBondContact CA-O 3.48Å
95Q98.8Very high96.9Very high78 Ų7850.5 Ų50.536%0.36430%0.301SS..EExtended strand (participates in β ladder)trans-127140.6178.9-64.4173.2-89.600109.1F8 T9 T93 D115 A116F8-Q95 WeakPolarHBondContact O-CA 3.02Å; T9-Q95 HydrophobicContact CG2-CG 4.11Å; T93-Q95 HydrophobicContact CG2-CG 3.98Å; Q95-D115 CarbonylContact O-C 3.59Å; Q95-D115 VanDerWaalsContact O-CA 3.3Å; Q95-D115 WeakPolarHBondContact O-CA 3.33Å; Q95-A116 HydrophobicContact CB-CB 4.34Å; Q95-A116 PolarHBondContact N-O 3.37Å; Q95-A116 PolarHBondContact O-N 2.92Å
96V98.5Very high96.8Very high5 Ų544 Ų443%0.0327%0.271CS..EExtended strand (participates in β ladder)trans-131.9132.9179.4174.70000108.3F7 F8 M94 Y98 R113 Q114 D115F7-V96 CarbonylContact C-O 3.49Å; F7-V96 WeakPolarHBondContact CA-O 3.24Å; F8-V96 HydrophobicContact CB-CB 4.21Å; F8-V96 HydrophobicContact CD2-CB 4.43Å; F8-V96 HydrophobicContact CD2-CG1 4.43Å; F8-V96 PolarHBondContact N-O 2.88Å; F8-V96 PolarHBondContact O-N 3.01Å; M94-V96 HydrophobicContact CE-CG2 4.07Å; V96-Y98 HydrophobicContact CG1-CD1 4.14Å; V96-R113 VanDerWaalsContact CG1-NH1 3.31Å; V96-Q114 WeakPolarHBondContact CA-O 3.46Å; V96-D115 HydrophobicContact CG2-CB 4.46Å
97M98.6Very high96.7Very high27 Ų2749 Ų4913%0.13329%0.287CS..EExtended strand (participates in β ladder)trans-125.6130.4169.7-177.4-80.9-67.400109.3Y6 F7 Y112 R113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.49Å; F7-M97 HydrophobicContact CD1-CB 3.92Å; F7-M97 HydrophobicContact CD1-CG 3.61Å; F7-M97 HydrophobicContact CE1-CB 4.11Å; F7-M97 HydrophobicContact CE1-CG 3.35Å; F7-M97 HydrophobicContact CG-CG 4.47Å; F7-M97 HydrophobicContact CZ-CG 4.04Å; M97-Y112 HydrophobicContact CE-CD1 4.49Å; M97-Y112 HydrophobicContact CE-CG 4.5Å; M97-R113 CarbonylContact O-C 3.48Å; M97-R113 WeakPolarHBondContact O-CA 3.31Å; M97-Q114 HydrophobicContact CE-CB 4.32Å; M97-Q114 HydrophobicContact CE-CG 4.13Å; M97-Q114 PolarHBondContact N-O 3.39Å; M97-Q114 PolarHBondContact O-N 2.87Å
98Y98.5Very high96.9Very high32 Ų3247.7 Ų47.713%0.12527%0.271CS..EExtended strand (participates in β ladder)trans-147.5160.517169.3-81.5000111.4R5 Y6 F8 V96 Y112 Y158R5-Y98 WeakPolarHBondContact CA-O 3.39Å; Y6-Y98 AromaticContact CD2-CE2 3.81Å; Y6-Y98 HydrophobicContact CD2-CE2 3.81Å; Y6-Y98 AromaticContact CD2-CZ 3.89Å; Y6-Y98 HydrophobicContact CG-CE1 4.33Å; Y6-Y98 HydrophobicContact CG-CE2 4.22Å; Y6-Y98 AromaticContact CG-CZ 3.82Å; Y6-Y98 PolarHBondContact N-O 3.14Å; Y6-Y98 PolarHBondContact O-N 3.03Å; Y6-Y98 VanDerWaalsContact O-N 3.09Å; F8-Y98 HydrophobicContact CD2-CE1 4.11Å; F8-Y98 HydrophobicContact CE1-CE1 4.18Å; F8-Y98 HydrophobicContact CE2-CD1 4.45Å; F8-Y98 AromaticContact CE2-CE1 3.42Å; F8-Y98 HydrophobicContact CE2-CE1 3.42Å; F8-Y98 VanDerWaalsContact CE2-CE1 3.42Å; F8-Y98 AromaticContact CZ-CE1 3.48Å; F8-Y98 HydrophobicContact CZ-CE1 3.48Å; F8-Y98 VanDerWaalsContact CZ-CE1 3.48Å; F8-Y98 AromaticContact CZ-CZ 3.8Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.36Å; V96-Y98 HydrophobicContact CG1-CD1 4.14Å; Y98-Y112 WeakPolarHBondContact CA-O 3.25Å; Y98-Y112 VanDerWaalsContact CB-O 3.23Å; Y98-Y112 WeakPolarHBondContact CB-O 3.43Å; Y98-Y158 AromaticContact CD2-CE1 3.86Å; Y98-Y158 HydrophobicContact CD2-CE1 3.86Å; Y98-Y158 AromaticContact CE2-CE1 3.71Å; Y98-Y158 HydrophobicContact CE2-CE1 3.71Å
99G98.4Very high97.1Very high0 Ų046.3 Ų46.30%027%0.268CS..EExtended strand (participates in β ladder)trans158.8-174-179.800000113.7M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.59Å; M4-G99 WeakPolarHBondContact O-CA 3.31Å; G99-G111 CarbonylContact O-C 3.58Å; G99-G111 WeakPolarHBondContact O-CA 3.49Å; G99-Y112 PolarHBondContact N-O 3.17Å; G99-Y112 VanDerWaalsContact N-O 3.08Å; G99-Y112 WeakPolarHBondContact O-CD2 3.38Å; G99-Y112 PolarHBondContact O-N 3.04Å; G99-L159 VanDerWaalsContact O-CD2 3.27Å; G99-L159 WeakPolarHBondContact O-CD2 3.38Å
100C98.6Very high97.2Very high0 Ų046.5 Ų46.50%025%0.25CS..EExtended strand (participates in β ladder)trans-136.3151.6-174.256.70000111.5S3 M4 F108 R110 L159 C163 V164S3-C100 CarbonylContact C-O 3.55Å; S3-C100 WeakPolarHBondContact CA-O 3.18Å; M4-C100 PolarHBondContact N-O 2.66Å; M4-C100 PolarHBondContact O-N 2.83Å; C100-F108 HydrophobicContact CB-CD2 4.4Å; C100-F108 HydrophobicContact CB-CE2 4.11Å; C100-R110 CarbonylContact C-O 3.54Å; C100-R110 WeakPolarHBondContact CA-O 3.38Å; C100-L159 WeakPolarHBondContact CB-O 3.37Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.31Å; C100-C163 PolarHBondContact N-SG 2.86Å; C100-C163 VanDerWaalsContact N-SG 3.35Å; C100-C163 WeakPolarHBondContact SG-CB 3.48Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.22Å; C100-V164 HydrophobicContact CB-CG2 4.46Å
101D98.4Very high97.4Very high27 Ų2745.5 Ų45.514%0.14424%0.24CC..EExtended strand (participates in β ladder)trans-113142.5171.8-60.7-10.2000109.7H2 S3 R5 L109 R110 Y112H2-D101 CarbonylContact O-C 3.6Å; H2-D101 WeakPolarHBondContact O-CA 3.46Å; S3-D101 WeakPolarHBondContact CB-OD1 2.84Å; R5-D101 IonicContact CZ-OD1 3.95Å; R5-D101 IonicContact NE-OD1 2.71Å; R5-D101 PolarHBondContact NE-OD1 2.7Å; R5-D101 IonicContact NH2-OD1 3.24Å; R5-D101 PolarHBondContact NH2-OD1 3.07Å; R5-D101 IonicContact NH2-OD2 3.45Å; R5-D101 PolarHBondContact NH2-OD2 2.81Å; D101-L109 HydrophobicContact CB-CB 4.39Å; D101-L109 PolarHBondContact O-N 3.26Å; D101-R110 HydrophobicContact CB-CB 4.47Å; D101-R110 PolarHBondContact N-O 3.26Å; D101-R110 PolarHBondContact O-N 2.94Å; D101-Y112 HydrophobicContact CB-CE2 4.47Å; D101-Y112 VanDerWaalsContact CG-CE2 3.46Å; D101-Y112 WeakPolarHBondContact OD1-CE2 3Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.33Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.28Å; D101-Y112 PolarHBondContact OD2-OH 3.3Å
102V98.3Very high97.4Very high0 Ų043.5 Ų43.50%022%0.221CC..EExtended strand (participates in β ladder)trans-124.8147.2175.6-61.70000111.8S1 H2 R107 V164 L167 L171S1-V102 WeakPolarHBondContact CA-O 3.43Å; S1-V102 VanDerWaalsContact CB-O 3.25Å; S1-V102 WeakPolarHBondContact CB-O 3.48Å; H2-V102 HydrophobicContact CB-CG2 4.01Å; H2-V102 PolarHBondContact N-O 3.41Å; H2-V102 PolarHBondContact O-N 2.64Å; V102-R107 CarbonylContact C-O 3.58Å; V102-R107 WeakPolarHBondContact CA-O 3.33Å; V102-V164 HydrophobicContact CG1-CB 4.39Å; V102-V164 HydrophobicContact CG1-CG1 3.92Å; V102-V164 HydrophobicContact CG1-CG2 4.06Å; V102-L167 HydrophobicContact CB-CD2 4.35Å; V102-L167 HydrophobicContact CG1-CD2 3.95Å; V102-L167 HydrophobicContact CG2-CD2 3.62Å; V102-L167 HydrophobicContact CG2-CG 4.16Å; V102-L171 HydrophobicContact CG2-CD1 4.42Å
103G97Very high97.4Very high10 Ų1043.9 Ų43.910%0.10322%0.222CC..  trans-68173.8174.100000112.2D105 G106 R107G103-D105 PolarHBondContact O-N 2.87Å; G103-G106 WeakPolarHBondContact O-CA 3.31Å; G103-G106 PolarHBondContact O-N 2.55Å; G103-R107 PolarHBondContact N-O 3.44Å
104S93.1Very high97.3Very high122 Ų12245.9 Ų45.985%0.85323%0.228SC*.THydrogen-bonded Turntrans-62.7-22.8171.948.40000113
105D93.9Very high97.4Very high87 Ų8745.9 Ų45.947%0.46523%0.229SC..THydrogen-bonded Turntrans-84.44.4171.460.98.4000113.3G103 R107G103-D105 PolarHBondContact O-N 2.87Å; D105-R107 PolarHBondContact O-N 2.89Å; D105-R107 WeakPolarHBondContact OD1-CB 3.25Å; D105-R107 PolarHBondContact OD1-N 2.85Å; D105-R107 IonicContact OD1-NE 3Å; D105-R107 IonicContact OD2-CZ 3.8Å; D105-R107 IonicContact OD2-NE 2.8Å; D105-R107 PolarHBondContact OD2-NE 3.49Å; D105-R107 IonicContact OD2-NH2 3.44Å; D105-R107 PolarHBondContact OD2-NH2 2.97Å
106G93.9Very high97.4Very high16 Ų1643 Ų4317%0.16522%0.218CC..  trans73.22.6-178.400000114.6G103 R168G103-G106 WeakPolarHBondContact O-CA 3.31Å; G103-G106 PolarHBondContact O-N 2.55Å; G106-R168 PolarHBondContact O-NE 3.4Å; G106-R168 PolarHBondContact O-NH2 3.16Å
107R96.9Very high97.4Very high165 Ų16543.3 Ų43.362%0.62322%0.219SC*.  trans-75.4147.6179.3-69.1-171-73172.7-4.5111.4V102 G103 D105 L109V102-R107 CarbonylContact C-O 3.58Å; V102-R107 WeakPolarHBondContact CA-O 3.33Å; G103-R107 PolarHBondContact N-O 3.44Å; D105-R107 PolarHBondContact O-N 2.89Å; D105-R107 WeakPolarHBondContact OD1-CB 3.25Å; D105-R107 PolarHBondContact OD1-N 2.85Å; D105-R107 IonicContact OD1-NE 3Å; D105-R107 IonicContact OD2-CZ 3.8Å; D105-R107 IonicContact OD2-NE 2.8Å; D105-R107 PolarHBondContact OD2-NE 3.49Å; D105-R107 IonicContact OD2-NH2 3.44Å; D105-R107 PolarHBondContact OD2-NH2 2.97Å; R107-L109 PolarHBondContact O-N 3.26Å
108F98Very high97.4Very high53 Ų5345 Ų4523%0.23223%0.228CC..EExtended strand (participates in β ladder)trans-55.7131.1175.6-179.7-105000111C100 R110 G111 L129 L159 D160 V164C100-F108 HydrophobicContact CB-CD2 4.4Å; C100-F108 HydrophobicContact CB-CE2 4.11Å; F108-R110 VanDerWaalsContact CE2-O 3.29Å; F108-R110 WeakPolarHBondContact CE2-O 3.33Å; F108-G111 VanDerWaalsContact CZ-N 3.27Å; F108-L129 HydrophobicContact CE1-CD1 3.91Å; F108-L129 HydrophobicContact CZ-CD1 3.65Å; F108-L159 WeakPolarHBondContact CE2-O 3.43Å; F108-D160 WeakPolarHBondContact CB-OD1 3.25Å; F108-D160 HydrophobicContact CD1-CB 4.46Å; F108-D160 WeakPolarHBondContact CD1-OD1 3.33Å; F108-D160 HydrophobicContact CE1-CB 4.47Å; F108-D160 HydrophobicContact CG-CB 4.47Å; F108-D160 WeakPolarHBondContact CG-OD1 3.43Å; F108-D160 HydrophobicContact CZ-CB 4.48Å; F108-V164 HydrophobicContact CB-CG2 3.99Å; F108-V164 HydrophobicContact CD2-CG2 3.58Å; F108-V164 HydrophobicContact CG-CG2 4.24Å
109L97.4Very high97.3Very high106 Ų10646.3 Ų46.356%0.55525%0.252SS*.EExtended strand (participates in β ladder)trans-110.2-48.7174.2-67.2-179.5000111.5D101 R107D101-L109 HydrophobicContact CB-CB 4.39Å; D101-L109 PolarHBondContact O-N 3.26Å; R107-L109 PolarHBondContact O-N 3.26Å
110R96.9Very high97.3Very high88 Ų8853.8 Ų53.833%0.33229%0.285SS..EExtended strand (participates in β ladder)trans-157.9147.8-171.3-174165169152.17.2111.5C100 D101 F108 Y112 E127C100-R110 CarbonylContact C-O 3.54Å; C100-R110 WeakPolarHBondContact CA-O 3.38Å; D101-R110 HydrophobicContact CB-CB 4.47Å; D101-R110 PolarHBondContact N-O 3.26Å; D101-R110 PolarHBondContact O-N 2.94Å; F108-R110 VanDerWaalsContact CE2-O 3.29Å; F108-R110 WeakPolarHBondContact CE2-O 3.33Å; R110-Y112 HydrophobicContact CB-CE2 4.18Å; R110-Y112 VanDerWaalsContact CD-OH 3.25Å; R110-Y112 WeakPolarHBondContact CD-OH 3.43Å; R110-Y112 HydrophobicContact CG-CE1 4.13Å; R110-Y112 HydrophobicContact CG-CE2 3.85Å; R110-Y112 PolarHBondContact NE-OH 3.37Å; R110-E127 VanDerWaalsContact CZ-CD 3.41Å; R110-E127 IonicContact CZ-OE1 2.88Å; R110-E127 IonicContact NH1-OE1 3.66Å; R110-E127 PolarHBondContact NH1-OE1 3.34Å; R110-E127 IonicContact NH1-OE2 2.75Å; R110-E127 VanDerWaalsContact NH2-CD 3.32Å; R110-E127 VanDerWaalsContact NH2-CG 3.29Å; R110-E127 IonicContact NH2-OE1 3.7Å; R110-E127 PolarHBondContact NH2-OE1 2.93Å
111G97.8Very high97.3Very high5 Ų559.9 Ų59.95%0.05232%0.317CS..EExtended strand (participates in β ladder)trans-120.3154173.700000110.7G99 F108G99-G111 CarbonylContact O-C 3.58Å; G99-G111 WeakPolarHBondContact O-CA 3.49Å; F108-G111 VanDerWaalsContact CZ-N 3.27Å
112Y96.8Very high97.3Very high32 Ų3259 Ų5913%0.12531%0.312CS..EExtended strand (participates in β ladder)trans-133.9140.1-177.5-53.9-95.4000110R5 M97 Y98 G99 D101 R110R5-Y112 PolarHBondContact NH2-OH 2.88Å; M97-Y112 HydrophobicContact CE-CD1 4.49Å; M97-Y112 HydrophobicContact CE-CG 4.5Å; Y98-Y112 WeakPolarHBondContact CA-O 3.25Å; Y98-Y112 VanDerWaalsContact CB-O 3.23Å; Y98-Y112 WeakPolarHBondContact CB-O 3.43Å; G99-Y112 PolarHBondContact N-O 3.17Å; G99-Y112 VanDerWaalsContact N-O 3.08Å; G99-Y112 WeakPolarHBondContact O-CD2 3.38Å; G99-Y112 PolarHBondContact O-N 3.04Å; D101-Y112 HydrophobicContact CB-CE2 4.47Å; D101-Y112 VanDerWaalsContact CG-CE2 3.46Å; D101-Y112 WeakPolarHBondContact OD1-CE2 3Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.33Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.28Å; D101-Y112 PolarHBondContact OD2-OH 3.3Å; R110-Y112 HydrophobicContact CB-CE2 4.18Å; R110-Y112 VanDerWaalsContact CD-OH 3.25Å; R110-Y112 WeakPolarHBondContact CD-OH 3.43Å; R110-Y112 HydrophobicContact CG-CE1 4.13Å; R110-Y112 HydrophobicContact CG-CE2 3.85Å; R110-Y112 PolarHBondContact NE-OH 3.37Å
113R98Very high97.3Very high23 Ų2359.3 Ų59.39%0.08731%0.313CS..EExtended strand (participates in β ladder)trans-148.7119159.4173.665.5-173.8-145.21.3107.4V96 M97 D115 A124 L125 W132 L155V96-R113 VanDerWaalsContact CG1-NH1 3.31Å; M97-R113 CarbonylContact O-C 3.48Å; M97-R113 WeakPolarHBondContact O-CA 3.31Å; R113-D115 IonicContact CZ-OD1 3.81Å; R113-D115 IonicContact CZ-OD2 3.44Å; R113-D115 IonicContact NE-OD1 3.67Å; R113-D115 PolarHBondContact NE-OD1 3.17Å; R113-D115 IonicContact NE-OD2 2.78Å; R113-D115 IonicContact NH2-OD1 3.08Å; R113-D115 PolarHBondContact NH2-OD1 2.91Å; R113-D115 IonicContact NH2-OD2 3.72Å; R113-D115 PolarHBondContact NH2-OD2 3.15Å; R113-A124 WeakPolarHBondContact O-CA 3.5Å; R113-L125 HydrophobicContact CB-CB 3.89Å; R113-L125 HydrophobicContact CB-CD2 4.26Å; R113-L125 PolarHBondContact O-N 2.94Å; R113-W132 HydrophobicContact CG-CH2 4.3Å; R113-W132 HydrophobicContact CG-CZ3 4.26Å; R113-L155 HydrophobicContact CG-CD1 4.13Å
114Q98.2Very high97.4Very high80 Ų8060 Ų6037%0.37432%0.319SS..EExtended strand (participates in β ladder)trans-141131.6-178.8-60.4178.76.600109.3V96 M97 A124V96-Q114 WeakPolarHBondContact CA-O 3.46Å; M97-Q114 HydrophobicContact CE-CB 4.32Å; M97-Q114 HydrophobicContact CE-CG 4.13Å; M97-Q114 PolarHBondContact N-O 3.39Å; M97-Q114 PolarHBondContact O-N 2.87Å; Q114-A124 HydrophobicContact CG-CB 3.96Å
115D98.6Very high97.7Very high7 Ų754.8 Ų54.84%0.03728%0.281CS..EExtended strand (participates in β ladder)trans-121.4137.7-179.2-59.221.9000108Q95 V96 R113 Y122 I123Q95-D115 CarbonylContact O-C 3.59Å; Q95-D115 VanDerWaalsContact O-CA 3.3Å; Q95-D115 WeakPolarHBondContact O-CA 3.33Å; V96-D115 HydrophobicContact CG2-CB 4.46Å; R113-D115 IonicContact CZ-OD1 3.81Å; R113-D115 IonicContact CZ-OD2 3.44Å; R113-D115 IonicContact NE-OD1 3.67Å; R113-D115 PolarHBondContact NE-OD1 3.17Å; R113-D115 IonicContact NE-OD2 2.78Å; R113-D115 IonicContact NH2-OD1 3.08Å; R113-D115 PolarHBondContact NH2-OD1 2.91Å; R113-D115 IonicContact NH2-OD2 3.72Å; R113-D115 PolarHBondContact NH2-OD2 3.15Å; D115-Y122 WeakPolarHBondContact O-CA 3.42Å; D115-Y122 VanDerWaalsContact O-CB 3.31Å; D115-Y122 WeakPolarHBondContact O-CB 3.47Å; D115-Y122 PolarHBondContact O-N 2.85Å; D115-I123 HydrophobicContact CB-CG2 4.06Å; D115-I123 PolarHBondContact N-O 3.18Å; D115-I123 PolarHBondContact O-N 3.46Å; D115-I123 VanDerWaalsContact O-N 3.15Å
116A98.8Very high97.9Very high18 Ų1852.7 Ų52.715%0.14927%0.27CS..EExtended strand (participates in β ladder)trans-128.1147.8179.800000110.7M94 Q95 K120M94-A116 WeakPolarHBondContact CA-O 3.48Å; Q95-A116 HydrophobicContact CB-CB 4.34Å; Q95-A116 PolarHBondContact N-O 3.37Å; Q95-A116 PolarHBondContact O-N 2.92Å; A116-K120 CarbonylContact C-O 3.53Å; A116-K120 WeakPolarHBondContact CA-O 3.27Å; A116-K120 VanDerWaalsContact CB-O 3.27Å; A116-K120 WeakPolarHBondContact CB-O 3.19Å
117Y98.8Very high98Very high11 Ų1158.4 Ų58.44%0.04329%0.292CS..EExtended strand (participates in β ladder)trans-129.7128.7179.3-173.5-117.3000110.6L77 L80 R81 Y84 Q86 H92 T93 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.1Å; L80-Y117 HydrophobicContact CB-CD1 4.44Å; L80-Y117 HydrophobicContact CB-CD2 4.13Å; L80-Y117 HydrophobicContact CB-CE1 4.1Å; L80-Y117 HydrophobicContact CB-CE2 3.77Å; L80-Y117 HydrophobicContact CB-CG 4.43Å; L80-Y117 HydrophobicContact CD1-CD2 3.54Å; L80-Y117 HydrophobicContact CD1-CE2 3.9Å; L80-Y117 HydrophobicContact CD1-CG 4.02Å; L80-Y117 HydrophobicContact CG-CD2 4.4Å; L80-Y117 HydrophobicContact CG-CE2 4.47Å; R81-Y117 PolarHBondContact N-OH 3.33Å; Y84-Y117 AromaticContact CD2-CD1 3.75Å; Y84-Y117 HydrophobicContact CD2-CD1 3.75Å; Y84-Y117 AromaticContact CD2-CE1 3.53Å; Y84-Y117 HydrophobicContact CD2-CE1 3.53Å; Y84-Y117 AromaticContact CE2-CD1 3.54Å; Y84-Y117 HydrophobicContact CE2-CD1 3.54Å; Y84-Y117 AromaticContact CE2-CE1 3.85Å; Y84-Y117 HydrophobicContact CE2-CE1 3.85Å; Y84-Y117 HydrophobicContact CG-CE1 4.44Å; Q86-Y117 PolarHBondContact OE1-OH 2.98Å; H92-Y117 HydrophobicContact CB-CE2 3.83Å; H92-Y117 WeakPolarHBondContact CB-OH 3.22Å; H92-Y117 AromaticContact CG-CZ 3.97Å; H92-Y117 AromaticContact ND1-CZ 3.93Å; H92-Y117 PolarHBondContact ND1-OH 3.45Å; T93-Y117 CarbonylContact O-C 3.59Å; T93-Y117 WeakPolarHBondContact O-CA 3.36Å; T93-Y117 VanDerWaalsContact O-CD2 3.31Å; T93-Y117 WeakPolarHBondContact O-CD2 3.39Å; Y117-G119 PolarHBondContact O-N 3.18Å; Y117-K120 PolarHBondContact N-O 3.43Å; Y117-K120 PolarHBondContact O-N 3.23Å
118D98.3Very high98Very high62 Ų6254.3 Ų54.333%0.33228%0.282SS..THydrogen-bonded Turntrans48.939.9-174.9-67.9-21.2000113.2Q86 H92 T93 K120Q86-D118 PolarHBondContact NE2-OD2 3.42Å; H92-D118 WeakPolarHBondContact CA-OD1 3.32Å; H92-D118 WeakPolarHBondContact CB-OD1 3.23Å; H92-D118 IonicContact CE1-OD2 3.62Å; H92-D118 IonicContact CG-OD1 3.82Å; H92-D118 IonicContact CG-OD2 3.48Å; H92-D118 IonicContact ND1-OD1 2.68Å; H92-D118 IonicContact ND1-OD2 3.43Å; H92-D118 PolarHBondContact ND1-OD2 3.28Å; T93-D118 PolarHBondContact N-OD1 2.99Å; T93-D118 PolarHBondContact O-N 2.82Å; D118-K120 VanDerWaalsContact C-N 3.32Å; D118-K120 PolarHBondContact O-N 3.09Å
119G97.4Very high98Very high60 Ų6052.1 Ų52.162%0.61927%0.273SS*.THydrogen-bonded Turntrans76.910.6177.800000115.1Y117Y117-G119 PolarHBondContact O-N 3.18Å
120K98.4Very high98Very high158 Ų15855.2 Ų55.269%0.68728%0.277SS*.EExtended strand (participates in β ladder)trans-117145.4176.6-62179-176.8176.10110.7A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.53Å; A116-K120 WeakPolarHBondContact CA-O 3.27Å; A116-K120 VanDerWaalsContact CB-O 3.27Å; A116-K120 WeakPolarHBondContact CB-O 3.19Å; Y117-K120 PolarHBondContact N-O 3.43Å; Y117-K120 PolarHBondContact O-N 3.23Å; D118-K120 VanDerWaalsContact C-N 3.32Å; D118-K120 PolarHBondContact O-N 3.09Å; K120-Y122 PolarHBondContact O-N 3.04Å
121D98.6Very high98Very high128 Ų12852.8 Ų52.868%0.68427%0.274SS*.EExtended strand (participates in β ladder)trans-53.3133.7173.4-64.4-26.7000110.4A135D121-A135 HydrophobicContact CB-CB 4.38Å; D121-A135 WeakPolarHBondContact O-CB 3.21Å
122Y98.8Very high98.1Very high8 Ų852.7 Ų52.73%0.03127%0.272CS..EExtended strand (participates in β ladder)trans-112.6-62.8178.8179.3-107.9000110.4L80 Y84 D115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD1 4.37Å; L80-Y122 HydrophobicContact CD2-CD2 4.15Å; L80-Y122 HydrophobicContact CD2-CE1 3.74Å; L80-Y122 HydrophobicContact CD2-CE2 3.46Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.46Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.49Å; Y84-Y122 HydrophobicContact CE2-CD2 4.38Å; Y84-Y122 HydrophobicContact CE2-CE2 4.09Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.32Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.33Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.31Å; D115-Y122 WeakPolarHBondContact O-CA 3.42Å; D115-Y122 VanDerWaalsContact O-CB 3.31Å; D115-Y122 WeakPolarHBondContact O-CB 3.47Å; D115-Y122 PolarHBondContact O-N 2.85Å; K120-Y122 PolarHBondContact O-N 3.04Å; Y122-A135 WeakPolarHBondContact O-CB 3.38Å; Y122-A135 PolarHBondContact O-N 2.84Å; Y122-A138 HydrophobicContact CE2-CB 4.36Å; Y122-A138 PolarHBondContact OH-O 2.88Å; Y122-A139 HydrophobicContact CD2-CB 3.81Å; Y122-A139 HydrophobicContact CE1-CB 4.39Å; Y122-A139 HydrophobicContact CE2-CB 3.67Å; Y122-A139 HydrophobicContact CG-CB 4.24Å; Y122-A139 WeakPolarHBondContact O-CB 3.46Å; Y122-T142 HydrophobicContact CE1-CG2 4.19Å; Y122-T142 PolarHBondContact OH-OG1 2.81Å
123I98.8Very high98.2Very high6 Ų654.8 Ų54.83%0.03129%0.289CS..EExtended strand (participates in β ladder)trans-147.7142.8178.6-162.5172.6000110.9D115 W132 T133 T142 K143 W146D115-I123 HydrophobicContact CB-CG2 4.06Å; D115-I123 PolarHBondContact N-O 3.18Å; D115-I123 PolarHBondContact O-N 3.46Å; D115-I123 VanDerWaalsContact O-N 3.15Å; I123-W132 HydrophobicContact CD1-CB 4.27Å; I123-W132 HydrophobicContact CD1-CD2 4.45Å; I123-W132 HydrophobicContact CD1-CE3 4.2Å; I123-W132 HydrophobicContact CG1-CB 4.39Å; I123-W132 HydrophobicContact CG1-CE3 4.08Å; I123-T133 CarbonylContact C-O 3.51Å; I123-T133 WeakPolarHBondContact CA-O 3.43Å; I123-T133 WeakPolarHBondContact CG1-O 3.33Å; I123-T142 HydrophobicContact CD1-CG2 4.09Å; I123-K143 HydrophobicContact CD1-CB 3.89Å; I123-W146 HydrophobicContact CD1-CE3 4.12Å; I123-W146 HydrophobicContact CD1-CZ3 4.4Å; I123-W146 HydrophobicContact CG2-CH2 4.18Å; I123-W146 HydrophobicContact CG2-CZ3 3.85Å
124A98.7Very high98.2Very high26 Ų2654.5 Ų54.522%0.21529%0.291CS..EExtended strand (participates in β ladder)trans-134.7138.4179.800000111.7R113 Q114 W132 T133R113-A124 WeakPolarHBondContact O-CA 3.5Å; Q114-A124 HydrophobicContact CG-CB 3.96Å; A124-W132 WeakPolarHBondContact O-CA 3.42Å; A124-T133 PolarHBondContact N-O 3.21Å; A124-T133 PolarHBondContact O-N 3.46Å
125L98.7Very high98.2Very high11 Ų1153.7 Ų53.76%0.05830%0.298CS..EExtended strand (participates in β ladder)trans-73.5128.5168.4-175.366.1000108.6R113 L129 W132 A152 L155 L159R113-L125 HydrophobicContact CB-CB 3.89Å; R113-L125 HydrophobicContact CB-CD2 4.26Å; R113-L125 PolarHBondContact O-N 2.94Å; L125-L129 HydrophobicContact CD2-CB 4.46Å; L125-L129 HydrophobicContact CD2-CD2 3.77Å; L125-L129 HydrophobicContact CG-CD2 4.33Å; L125-W132 HydrophobicContact CB-CE3 4.01Å; L125-W132 HydrophobicContact CB-CH2 4.13Å; L125-W132 HydrophobicContact CB-CZ3 3.65Å; L125-W132 HydrophobicContact CD1-CD2 4.14Å; L125-W132 HydrophobicContact CD1-CE3 4.23Å; L125-W132 HydrophobicContact CD1-CH2 4.06Å; L125-W132 HydrophobicContact CD1-CZ2 3.94Å; L125-W132 HydrophobicContact CD1-CZ3 4.18Å; L125-W132 HydrophobicContact CG-CZ3 4.49Å; L125-A152 HydrophobicContact CD1-CB 4.03Å; L125-L155 HydrophobicContact CD2-CB 4.42Å; L125-L159 HydrophobicContact CD2-CD1 3.92Å
126N98.4Very high98.2Very high44 Ų4456.1 Ų56.124%0.23531%0.311CS..  trans-72.7163.3179.5-67.9-29.1000111.4D128 L129 S131 T133N126-D128 PolarHBondContact O-N 3.45Å; N126-D128 VanDerWaalsContact O-N 3.07Å; N126-L129 PolarHBondContact O-N 2.85Å; N126-S131 VanDerWaalsContact CB-O 3.31Å; N126-S131 WeakPolarHBondContact CB-O 3.2Å; N126-S131 WeakPolarHBondContact CB-OG 3.32Å; N126-S131 PolarHBondContact N-O 2.84Å; N126-S131 PolarHBondContact ND2-O 3.44Å; N126-S131 PolarHBondContact ND2-OG 3.31Å; N126-T133 PolarHBondContact ND2-OG1 3.44Å; N126-T133 WeakPolarHBondContact OD1-CB 3.4Å; N126-T133 PolarHBondContact OD1-OG1 3.4Å
127E96.8Very high98.1Very high136 Ų13662.2 Ų62.264%0.63634%0.338SS*.THydrogen-bonded Turntrans-59.6-21.8-179.2-63.7-176.6-173.700113.6R110 L129R110-E127 VanDerWaalsContact CZ-CD 3.41Å; R110-E127 IonicContact CZ-OE1 2.88Å; R110-E127 IonicContact NH1-OE1 3.66Å; R110-E127 PolarHBondContact NH1-OE1 3.34Å; R110-E127 IonicContact NH1-OE2 2.75Å; R110-E127 VanDerWaalsContact NH2-CD 3.32Å; R110-E127 VanDerWaalsContact NH2-CG 3.29Å; R110-E127 IonicContact NH2-OE1 3.7Å; R110-E127 PolarHBondContact NH2-OE1 2.93Å; E127-L129 PolarHBondContact O-N 3.28Å
128D96.9Very high98.1Very high78 Ų7862.1 Ų62.142%0.41734%0.34SS..THydrogen-bonded Turntrans-72.1-9.7174.868.96.5000113.9N126 R130 S131N126-D128 PolarHBondContact O-N 3.45Å; N126-D128 VanDerWaalsContact O-N 3.07Å; D128-R130 WeakPolarHBondContact O-CG 3.4Å; D128-R130 PolarHBondContact O-N 2.94Å; D128-R130 PolarHBondContact OD1-N 3.11Å; D128-S131 VanDerWaalsContact CG-OG 3.26Å; D128-S131 PolarHBondContact OD1-N 3.16Å; D128-S131 PolarHBondContact OD1-OG 2.99Å; D128-S131 VanDerWaalsContact OD1-OG 3.14Å; D128-S131 WeakPolarHBondContact OD2-CB 3.34Å; D128-S131 PolarHBondContact OD2-OG 2.82Å
129L97.6Very high98.1Very high8 Ų859.2 Ų59.24%0.04232%0.324CS..SBendtrans53.829.1-175.2-51.2175.7000113.7F108 L125 N126 E127 R156 L159F108-L129 HydrophobicContact CE1-CD1 3.91Å; F108-L129 HydrophobicContact CZ-CD1 3.65Å; L125-L129 HydrophobicContact CD2-CB 4.46Å; L125-L129 HydrophobicContact CD2-CD2 3.77Å; L125-L129 HydrophobicContact CG-CD2 4.33Å; N126-L129 PolarHBondContact O-N 2.85Å; E127-L129 PolarHBondContact O-N 3.28Å; L129-R156 HydrophobicContact CB-CB 4.1Å; L129-R156 HydrophobicContact CB-CG 3.94Å; L129-R156 HydrophobicContact CD1-CG 4.08Å; L129-L159 HydrophobicContact CD2-CD1 4.16Å
130R97Very high98.2Very high170 Ų17059 Ų5964%0.64231%0.307SS*.SBendtrans-134.3-32.2-175.8-70.6172.8-176.2-10012.2112.3D128D128-R130 WeakPolarHBondContact O-CG 3.4Å; D128-R130 PolarHBondContact O-N 2.94Å; D128-R130 PolarHBondContact OD1-N 3.11Å
131S97.6Very high98.2Very high37 Ų3754.5 Ų54.526%0.25929%0.29SS..  trans-116.1159.2-175.765.60000112.2N126 D128N126-S131 VanDerWaalsContact CB-O 3.31Å; N126-S131 WeakPolarHBondContact CB-O 3.2Å; N126-S131 WeakPolarHBondContact CB-OG 3.32Å; N126-S131 PolarHBondContact N-O 2.84Å; N126-S131 PolarHBondContact ND2-O 3.44Å; N126-S131 PolarHBondContact ND2-OG 3.31Å; D128-S131 VanDerWaalsContact CG-OG 3.26Å; D128-S131 PolarHBondContact OD1-N 3.16Å; D128-S131 PolarHBondContact OD1-OG 2.99Å; D128-S131 VanDerWaalsContact OD1-OG 3.14Å; D128-S131 WeakPolarHBondContact OD2-CB 3.34Å; D128-S131 PolarHBondContact OD2-OG 2.82Å
132W98.6Very high98.1Very high3 Ų349.3 Ų49.31%0.01126%0.262CS..EExtended strand (participates in β ladder)trans-118140-176.5-61.395.3000111.8R113 I123 A124 L125 K143 W146 E151 A152 L155R113-W132 HydrophobicContact CG-CH2 4.3Å; R113-W132 HydrophobicContact CG-CZ3 4.26Å; I123-W132 HydrophobicContact CD1-CB 4.27Å; I123-W132 HydrophobicContact CD1-CD2 4.45Å; I123-W132 HydrophobicContact CD1-CE3 4.2Å; I123-W132 HydrophobicContact CG1-CB 4.39Å; I123-W132 HydrophobicContact CG1-CE3 4.08Å; A124-W132 WeakPolarHBondContact O-CA 3.42Å; L125-W132 HydrophobicContact CB-CE3 4.01Å; L125-W132 HydrophobicContact CB-CH2 4.13Å; L125-W132 HydrophobicContact CB-CZ3 3.65Å; L125-W132 HydrophobicContact CD1-CD2 4.14Å; L125-W132 HydrophobicContact CD1-CE3 4.23Å; L125-W132 HydrophobicContact CD1-CH2 4.06Å; L125-W132 HydrophobicContact CD1-CZ2 3.94Å; L125-W132 HydrophobicContact CD1-CZ3 4.18Å; L125-W132 HydrophobicContact CG-CZ3 4.49Å; W132-K143 HydrophobicContact CB-CD 4.15Å; W132-K143 HydrophobicContact CB-CG 4.05Å; W132-K143 WeakPolarHBondContact O-CE 3.1Å; W132-K143 PolarHBondContact O-NZ 3.24Å; W132-W146 HydrophobicContact CD2-CE3 4.01Å; W132-W146 AromaticContact CE2-CE3 3.82Å; W132-W146 AromaticContact CE3-CE3 3.86Å; W132-W146 HydrophobicContact CE3-CE3 3.86Å; W132-W146 AromaticContact CE3-CZ3 3.97Å; W132-W146 HydrophobicContact CE3-CZ3 3.97Å; W132-W146 HydrophobicContact CH2-CD2 4.48Å; W132-W146 AromaticContact CH2-CE3 3.3Å; W132-W146 HydrophobicContact CH2-CE3 3.3Å; W132-W146 HydrophobicContact CH2-CH2 4.47Å; W132-W146 AromaticContact CH2-CZ3 3.3Å; W132-W146 HydrophobicContact CH2-CZ3 3.3Å; W132-W146 HydrophobicContact CZ2-CD2 4.4Å; W132-W146 AromaticContact CZ2-CE3 3.48Å; W132-W146 HydrophobicContact CZ2-CE3 3.48Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.48Å; W132-W146 HydrophobicContact CZ2-CZ3 4Å; W132-W146 AromaticContact CZ3-CE3 3.53Å; W132-W146 HydrophobicContact CZ3-CE3 3.53Å; W132-W146 AromaticContact CZ3-CZ3 3.31Å; W132-W146 HydrophobicContact CZ3-CZ3 3.31Å; W132-E151 HydrophobicContact CZ2-CB 4.29Å; W132-A152 HydrophobicContact CZ2-CB 4.26Å; W132-L155 HydrophobicContact CH2-CD1 3.37Å; W132-L155 HydrophobicContact CZ2-CD1 3.76Å
133T98.6Very high98.1Very high77 Ų7751 Ų5147%0.47227%0.27SS..EExtended strand (participates in β ladder)trans-103.7121.6167.1-65.80000109.1I123 A124 N126I123-T133 CarbonylContact C-O 3.51Å; I123-T133 WeakPolarHBondContact CA-O 3.43Å; I123-T133 WeakPolarHBondContact CG1-O 3.33Å; A124-T133 PolarHBondContact N-O 3.21Å; A124-T133 PolarHBondContact O-N 3.46Å; N126-T133 PolarHBondContact ND2-OG1 3.44Å; N126-T133 WeakPolarHBondContact OD1-CB 3.4Å; N126-T133 PolarHBondContact OD1-OG1 3.4Å
134A98.6Very high98.1Very high17 Ų1758.1 Ų58.114%0.1430%0.297CS..EExtended strand (participates in β ladder)trans-105.6132.3178.200000109.5A139 Q140 K143A134-A139 HydrophobicContact CB-CB 3.69Å; A134-Q140 HydrophobicContact CB-CG 4.22Å; A134-K143 HydrophobicContact CB-CB 4.3Å; A134-K143 HydrophobicContact CB-CD 4.21Å
135A98.4Very high98.1Very high62 Ų6262.7 Ų62.751%0.51231%0.311SS..SBendtrans-75-31.9-173.600000113.3D121 Y122D121-A135 HydrophobicContact CB-CB 4.38Å; D121-A135 WeakPolarHBondContact O-CB 3.21Å; Y122-A135 WeakPolarHBondContact O-CB 3.38Å; Y122-A135 PolarHBondContact O-N 2.84Å
136D98.1Very high98.1Very high59 Ų5964.5 Ų64.532%0.31632%0.318SS..SBendtrans-149.6-175.3-177.968.527.4000113.2Y84 A138 A139 Q140Y84-D136 VanDerWaalsContact CE1-OD2 3.24Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.34Å; Y84-D136 VanDerWaalsContact OH-CG 3.25Å; Y84-D136 PolarHBondContact OH-OD1 2.84Å; Y84-D136 PolarHBondContact OH-OD2 2.81Å; D136-A138 VanDerWaalsContact C-N 3.31Å; D136-A138 PolarHBondContact O-N 2.69Å; D136-A138 WeakPolarHBondContact OD1-CA 3.23Å; D136-A138 WeakPolarHBondContact OD1-CB 3.25Å; D136-A138 PolarHBondContact OD1-N 2.69Å; D136-A139 PolarHBondContact O-N 2.83Å; D136-A139 PolarHBondContact OD1-N 3.21Å; D136-Q140 WeakPolarHBondContact O-CG 3.23Å; D136-Q140 PolarHBondContact O-N 3.33Å
137M97.8Very high98.1Very high146 Ų14666.6 Ų66.672%0.71933%0.326SS*.Hα-helixtrans-65.3-28.5-178.6-68.9-59.2-63.100114.2
138A97.9Very high98.1Very high9 Ų964 Ų647%0.07433%0.327CS..Hα-helixtrans-72.7-44.7175.100000109.8Y83 Y84 Y122 D136 Q140 I141Y83-A138 HydrophobicContact CD2-CB 4.47Å; Y84-A138 HydrophobicContact CD1-CB 4.2Å; Y84-A138 HydrophobicContact CD2-CB 4.47Å; Y84-A138 HydrophobicContact CE1-CB 3.62Å; Y84-A138 HydrophobicContact CE2-CB 3.91Å; Y84-A138 VanDerWaalsContact CZ-CB 3.46Å; Y122-A138 HydrophobicContact CE2-CB 4.36Å; Y122-A138 PolarHBondContact OH-O 2.88Å; D136-A138 VanDerWaalsContact C-N 3.31Å; D136-A138 PolarHBondContact O-N 2.69Å; D136-A138 WeakPolarHBondContact OD1-CA 3.23Å; D136-A138 WeakPolarHBondContact OD1-CB 3.25Å; D136-A138 PolarHBondContact OD1-N 2.69Å; A138-Q140 PolarHBondContact O-N 3.49Å; A138-I141 VanDerWaalsContact O-CB 3.25Å; A138-I141 WeakPolarHBondContact O-CB 3.49Å; A138-I141 PolarHBondContact O-N 2.87Å
139A98.5Very high98.2Very high0 Ų062.5 Ų62.50%033%0.326CS..Hα-helixtrans-60.3-31.2174.600000113.3Y122 A134 D136 I141 T142 K143Y122-A139 HydrophobicContact CD2-CB 3.81Å; Y122-A139 HydrophobicContact CE1-CB 4.39Å; Y122-A139 HydrophobicContact CE2-CB 3.67Å; Y122-A139 HydrophobicContact CG-CB 4.24Å; Y122-A139 WeakPolarHBondContact O-CB 3.46Å; A134-A139 HydrophobicContact CB-CB 3.69Å; D136-A139 PolarHBondContact O-N 2.83Å; D136-A139 PolarHBondContact OD1-N 3.21Å; A139-I141 PolarHBondContact O-N 2.86Å; A139-T142 PolarHBondContact O-N 2.91Å; A139-K143 PolarHBondContact O-N 3.3Å
140Q98.6Very high98.2Very high57 Ų5767.3 Ų67.327%0.26635%0.348SS..Hα-helixtrans-60.2-28.8172.5-68.9-70.4-1900112.8A134 D136 A138 R144A134-Q140 HydrophobicContact CB-CG 4.22Å; D136-Q140 WeakPolarHBondContact O-CG 3.23Å; D136-Q140 PolarHBondContact O-N 3.33Å; A138-Q140 PolarHBondContact O-N 3.49Å; Q140-R144 WeakPolarHBondContact O-CG 3.33Å; Q140-R144 PolarHBondContact O-N 3.4Å; Q140-R144 VanDerWaalsContact O-N 3.16Å
141I98.4Very high98.2Very high63 Ų6362 Ų6232%0.32333%0.331SS..Hα-helixtrans-68-47.8175.3-55.3171.7000109.7Y83 A138 A139 R144 K145Y83-I141 HydrophobicContact CD1-CD1 4.17Å; Y83-I141 HydrophobicContact CD2-CD1 4.43Å; Y83-I141 HydrophobicContact CE1-CD1 4.33Å; Y83-I141 HydrophobicContact CE1-CG2 4.14Å; Y83-I141 HydrophobicContact CE2-CB 4.1Å; Y83-I141 HydrophobicContact CE2-CG2 4.05Å; Y83-I141 HydrophobicContact CG-CD1 4.23Å; Y83-I141 WeakPolarHBondContact OH-CG2 3.4Å; A138-I141 VanDerWaalsContact O-CB 3.25Å; A138-I141 WeakPolarHBondContact O-CB 3.49Å; A138-I141 PolarHBondContact O-N 2.87Å; A139-I141 PolarHBondContact O-N 2.86Å; I141-R144 PolarHBondContact O-N 3.05Å; I141-K145 WeakPolarHBondContact O-CG 3.15Å; I141-K145 PolarHBondContact O-N 2.82Å
142T98.3Very high98.2Very high18 Ų1860.7 Ų60.711%0.1132%0.322CS..Hα-helixtrans-61.3-46.1175.3-67.50000111.1Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.19Å; Y122-T142 PolarHBondContact OH-OG1 2.81Å; I123-T142 HydrophobicContact CD1-CG2 4.09Å; A139-T142 PolarHBondContact O-N 2.91Å; T142-R144 VanDerWaalsContact C-N 3.35Å; T142-R144 PolarHBondContact O-N 3.46Å; T142-K145 WeakPolarHBondContact O-CB 3.49Å; T142-K145 PolarHBondContact O-N 3.07Å; T142-W146 HydrophobicContact CG2-CD2 3.77Å; T142-W146 HydrophobicContact CG2-CE3 4.26Å; T142-W146 HydrophobicContact CG2-CG 4.1Å; T142-W146 HydrophobicContact CG2-CH2 4.5Å; T142-W146 HydrophobicContact CG2-CZ2 4.02Å; T142-W146 PolarHBondContact O-N 2.81Å
143K98.6Very high98.1Very high45 Ų4566.6 Ų66.620%0.19635%0.35CS..Hα-helixtrans-50.9-51.7177.1174.9170.7176.5171.40112.2I123 W132 A134 A139 K145 W146 E147I123-K143 HydrophobicContact CD1-CB 3.89Å; W132-K143 HydrophobicContact CB-CD 4.15Å; W132-K143 HydrophobicContact CB-CG 4.05Å; W132-K143 WeakPolarHBondContact O-CE 3.1Å; W132-K143 PolarHBondContact O-NZ 3.24Å; A134-K143 HydrophobicContact CB-CB 4.3Å; A134-K143 HydrophobicContact CB-CD 4.21Å; A139-K143 PolarHBondContact O-N 3.3Å; K143-K145 VanDerWaalsContact C-N 3.32Å; K143-K145 PolarHBondContact O-N 3.32Å; K143-W146 PolarHBondContact O-N 2.98Å; K143-E147 WeakPolarHBondContact CE-OE1 3.43Å; K143-E147 HydrophobicContact CG-CG 4.34Å; K143-E147 IonicContact NZ-OE1 3.76Å; K143-E147 WeakPolarHBondContact O-CB 3.49Å; K143-E147 WeakPolarHBondContact O-CG 3.34Å; K143-E147 PolarHBondContact O-N 2.87Å
144R98.6Very high97.9Very high155 Ų15569.1 Ų69.159%0.58536%0.356SS*.Hα-helixtrans-61.4-38.6179.5-69.4170.4-168.2153.54.3112.7Q140 I141 T142 A148Q140-R144 WeakPolarHBondContact O-CG 3.33Å; Q140-R144 PolarHBondContact O-N 3.4Å; Q140-R144 VanDerWaalsContact O-N 3.16Å; I141-R144 PolarHBondContact O-N 3.05Å; T142-R144 VanDerWaalsContact C-N 3.35Å; T142-R144 PolarHBondContact O-N 3.46Å; R144-A148 WeakPolarHBondContact O-CB 3.31Å; R144-A148 PolarHBondContact O-N 3.37Å
145K98.1Very high97.8Very high121 Ų12170 Ų7053%0.52636%0.358SS..Hα-helixtrans-65.2-46.9176.9-72.2179.4174.1-175.70111.1Y83 I141 T142 K143 A148 A149Y83-K145 PolarHBondContact OH-NZ 2.92Å; I141-K145 WeakPolarHBondContact O-CG 3.15Å; I141-K145 PolarHBondContact O-N 2.82Å; T142-K145 WeakPolarHBondContact O-CB 3.49Å; T142-K145 PolarHBondContact O-N 3.07Å; K143-K145 VanDerWaalsContact C-N 3.32Å; K143-K145 PolarHBondContact O-N 3.32Å; K145-A148 PolarHBondContact O-N 2.9Å; K145-A149 WeakPolarHBondContact O-CB 3.3Å; K145-A149 PolarHBondContact O-N 2.85Å
146W98.1Very high97.8Very high50 Ų5071.1 Ų71.119%0.18935%0.349CS..Hα-helixtrans-68.5-36.5-179.3-74.46.1000112.8I123 W132 T142 K143 A149 H150 E151I123-W146 HydrophobicContact CD1-CE3 4.12Å; I123-W146 HydrophobicContact CD1-CZ3 4.4Å; I123-W146 HydrophobicContact CG2-CH2 4.18Å; I123-W146 HydrophobicContact CG2-CZ3 3.85Å; W132-W146 HydrophobicContact CD2-CE3 4.01Å; W132-W146 AromaticContact CE2-CE3 3.82Å; W132-W146 AromaticContact CE3-CE3 3.86Å; W132-W146 HydrophobicContact CE3-CE3 3.86Å; W132-W146 AromaticContact CE3-CZ3 3.97Å; W132-W146 HydrophobicContact CE3-CZ3 3.97Å; W132-W146 HydrophobicContact CH2-CD2 4.48Å; W132-W146 AromaticContact CH2-CE3 3.3Å; W132-W146 HydrophobicContact CH2-CE3 3.3Å; W132-W146 HydrophobicContact CH2-CH2 4.47Å; W132-W146 AromaticContact CH2-CZ3 3.3Å; W132-W146 HydrophobicContact CH2-CZ3 3.3Å; W132-W146 HydrophobicContact CZ2-CD2 4.4Å; W132-W146 AromaticContact CZ2-CE3 3.48Å; W132-W146 HydrophobicContact CZ2-CE3 3.48Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.48Å; W132-W146 HydrophobicContact CZ2-CZ3 4Å; W132-W146 AromaticContact CZ3-CE3 3.53Å; W132-W146 HydrophobicContact CZ3-CE3 3.53Å; W132-W146 AromaticContact CZ3-CZ3 3.31Å; W132-W146 HydrophobicContact CZ3-CZ3 3.31Å; T142-W146 HydrophobicContact CG2-CD2 3.77Å; T142-W146 HydrophobicContact CG2-CE3 4.26Å; T142-W146 HydrophobicContact CG2-CG 4.1Å; T142-W146 HydrophobicContact CG2-CH2 4.5Å; T142-W146 HydrophobicContact CG2-CZ2 4.02Å; T142-W146 PolarHBondContact O-N 2.81Å; K143-W146 PolarHBondContact O-N 2.98Å; W146-A149 CarbonylContact O-C 3.59Å; W146-A149 PolarHBondContact O-N 2.81Å; W146-H150 PolarHBondContact O-N 3.45Å; W146-E151 HydrophobicContact CB-CB 3.99Å; W146-E151 HydrophobicContact CB-CG 3.84Å; W146-E151 HydrophobicContact CD2-CG 4.48Å; W146-E151 HydrophobicContact CG-CB 4.21Å; W146-E151 HydrophobicContact CG-CG 3.83Å; W146-E151 PolarHBondContact O-N 3.27Å
147E98.4Very high97.8Very high87 Ų8771.5 Ų71.541%0.40736%0.361SS..Hα-helixtrans-64.2-45.3172.1-74.1174161.700111.4K143 A149 H150K143-E147 WeakPolarHBondContact CE-OE1 3.43Å; K143-E147 HydrophobicContact CG-CG 4.34Å; K143-E147 IonicContact NZ-OE1 3.76Å; K143-E147 WeakPolarHBondContact O-CB 3.49Å; K143-E147 WeakPolarHBondContact O-CG 3.34Å; K143-E147 PolarHBondContact O-N 2.87Å; E147-A149 VanDerWaalsContact C-N 3.26Å; E147-A149 PolarHBondContact O-N 3.08Å; E147-H150 PolarHBondContact O-N 2.79Å
148A98.2Very high97.8Very high81 Ų8167.5 Ų67.567%0.66934%0.338SS*.Hα-helixtrans-65.5-28.8177.100000113.2R144 K145R144-A148 WeakPolarHBondContact O-CB 3.31Å; R144-A148 PolarHBondContact O-N 3.37Å; K145-A148 PolarHBondContact O-N 2.9Å
149A97.7Very high97.8Very high48 Ų4867.1 Ų67.140%0.39734%0.335SS..THydrogen-bonded Turntrans-90.70.2177.200000113.7K145 W146 E147 E151K145-A149 WeakPolarHBondContact O-CB 3.3Å; K145-A149 PolarHBondContact O-N 2.85Å; W146-A149 CarbonylContact O-C 3.59Å; W146-A149 PolarHBondContact O-N 2.81Å; E147-A149 VanDerWaalsContact C-N 3.26Å; E147-A149 PolarHBondContact O-N 3.08Å; A149-E151 HydrophobicContact CB-CG 4.04Å; A149-E151 PolarHBondContact O-N 2.74Å
150H97Very high97.7Very high108 Ų10870.7 Ų70.750%0.535%0.354SS..THydrogen-bonded Turntrans5633.3-177.9-62.1-93000114.1W146 E147 A152 E153W146-H150 PolarHBondContact O-N 3.45Å; E147-H150 PolarHBondContact O-N 2.79Å; H150-A152 PolarHBondContact O-N 2.87Å; H150-E153 HydrophobicContact CB-CG 4.38Å; H150-E153 IonicContact CE1-OE1 2.7Å; H150-E153 IonicContact CG-OE1 3.84Å; H150-E153 IonicContact ND1-OE1 3.78Å; H150-E153 PolarHBondContact ND1-OE1 3.29Å; H150-E153 WeakPolarHBondContact O-CB 3.48Å; H150-E153 PolarHBondContact O-N 3.31Å
151E97.1Very high97.6Very high60 Ų6069.1 Ų69.128%0.2835%0.353SS..Hα-helixtrans-58.6-33.8-175.7-68-68.2173.600113W132 W146 A149 E153 Q154 L155W132-E151 HydrophobicContact CZ2-CB 4.29Å; W146-E151 HydrophobicContact CB-CB 3.99Å; W146-E151 HydrophobicContact CB-CG 3.84Å; W146-E151 HydrophobicContact CD2-CG 4.48Å; W146-E151 HydrophobicContact CG-CB 4.21Å; W146-E151 HydrophobicContact CG-CG 3.83Å; W146-E151 PolarHBondContact O-N 3.27Å; A149-E151 HydrophobicContact CB-CG 4.04Å; A149-E151 PolarHBondContact O-N 2.74Å; E151-E153 PolarHBondContact O-N 2.72Å; E151-Q154 PolarHBondContact O-N 2.86Å; E151-L155 PolarHBondContact O-N 2.71Å
152A97.8Very high97.6Very high9 Ų968.8 Ų68.87%0.07435%0.354CS..Hα-helixtrans-61.2-32.1178.200000112.5L125 W132 H150 R156L125-A152 HydrophobicContact CD1-CB 4.03Å; W132-A152 HydrophobicContact CZ2-CB 4.26Å; H150-A152 PolarHBondContact O-N 2.87Å; A152-R156 WeakPolarHBondContact O-CB 3.35Å; A152-R156 PolarHBondContact O-N 3.04Å
153E96.8Very high97.6Very high127 Ų12768 Ų6859%0.59335%0.349SS*.Hα-helixtrans-69.3-41.8179.7-63.3177.9-159.500111.3H150 E151 R156 A157H150-E153 HydrophobicContact CB-CG 4.38Å; H150-E153 IonicContact CE1-OE1 2.7Å; H150-E153 IonicContact CG-OE1 3.84Å; H150-E153 IonicContact ND1-OE1 3.78Å; H150-E153 PolarHBondContact ND1-OE1 3.29Å; H150-E153 WeakPolarHBondContact O-CB 3.48Å; H150-E153 PolarHBondContact O-N 3.31Å; E151-E153 PolarHBondContact O-N 2.72Å; E153-R156 PolarHBondContact O-N 2.83Å; E153-A157 PolarHBondContact O-N 3.26Å
154Q95.1Very high97.6Very high130 Ų13066.1 Ų66.161%0.60734%0.341SS*.Hα-helixtrans-66.6-46.1176.7-61.1-173.521.100111.2E151 R156 A157 Y158E151-Q154 PolarHBondContact O-N 2.86Å; Q154-R156 VanDerWaalsContact C-N 3.33Å; Q154-R156 PolarHBondContact O-N 2.95Å; Q154-A157 PolarHBondContact O-N 2.87Å; Q154-Y158 PolarHBondContact O-N 3.5Å; Q154-Y158 VanDerWaalsContact O-N 3.11Å
155L97Very high97.6Very high34 Ų3464.9 Ų64.918%0.17834%0.342CS..Hα-helixtrans-61.6-42.6176.9-75.2169.1000111.5R113 L125 W132 E151 A157 Y158 L159R113-L155 HydrophobicContact CG-CD1 4.13Å; L125-L155 HydrophobicContact CD2-CB 4.42Å; W132-L155 HydrophobicContact CH2-CD1 3.37Å; W132-L155 HydrophobicContact CZ2-CD1 3.76Å; E151-L155 PolarHBondContact O-N 2.71Å; L155-A157 VanDerWaalsContact C-N 3.34Å; L155-A157 PolarHBondContact O-N 2.82Å; L155-Y158 PolarHBondContact O-N 2.92Å; L155-L159 WeakPolarHBondContact O-CB 3.43Å; L155-L159 WeakPolarHBondContact O-CG 3.46Å; L155-L159 PolarHBondContact O-N 3.12Å
156R97.7Very high97.6Very high86 Ų8662.4 Ų62.433%0.32533%0.33SS..Hα-helixtrans-60.2-44.3176.2-178.3176.3175.9-158-3.6112L129 A152 E153 Q154 Y158 L159 D160L129-R156 HydrophobicContact CB-CB 4.1Å; L129-R156 HydrophobicContact CB-CG 3.94Å; L129-R156 HydrophobicContact CD1-CG 4.08Å; A152-R156 WeakPolarHBondContact O-CB 3.35Å; A152-R156 PolarHBondContact O-N 3.04Å; E153-R156 PolarHBondContact O-N 2.83Å; Q154-R156 VanDerWaalsContact C-N 3.33Å; Q154-R156 PolarHBondContact O-N 2.95Å; R156-Y158 VanDerWaalsContact C-N 3.27Å; R156-Y158 PolarHBondContact O-N 2.77Å; R156-L159 PolarHBondContact O-N 3.09Å; R156-D160 WeakPolarHBondContact O-CB 3.44Å; R156-D160 PolarHBondContact O-N 2.86Å
157A97.6Very high97.6Very high67 Ų6760 Ų6055%0.55432%0.32SS*.Hα-helixtrans-60.1-38.9177.900000112.1E153 Q154 L155 G161E153-A157 PolarHBondContact O-N 3.26Å; Q154-A157 PolarHBondContact O-N 2.87Å; L155-A157 VanDerWaalsContact C-N 3.34Å; L155-A157 PolarHBondContact O-N 2.82Å; A157-G161 WeakPolarHBondContact O-CA 3.32Å; A157-G161 PolarHBondContact O-N 2.96Å
158Y97.7Very high97.6Very high63 Ų6361.4 Ų61.425%0.24732%0.322CS..Iπ-helixtrans-68.5-48.8173.4173-96000112.4Y98 Q154 L155 R156 G161 T162 C163Y98-Y158 AromaticContact CD2-CE1 3.86Å; Y98-Y158 HydrophobicContact CD2-CE1 3.86Å; Y98-Y158 AromaticContact CE2-CE1 3.71Å; Y98-Y158 HydrophobicContact CE2-CE1 3.71Å; Q154-Y158 PolarHBondContact O-N 3.5Å; Q154-Y158 VanDerWaalsContact O-N 3.11Å; L155-Y158 PolarHBondContact O-N 2.92Å; R156-Y158 VanDerWaalsContact C-N 3.27Å; R156-Y158 PolarHBondContact O-N 2.77Å; Y158-G161 CarbonylContact O-C 3.59Å; Y158-G161 PolarHBondContact O-N 2.62Å; Y158-T162 HydrophobicContact CD2-CG2 3.99Å; Y158-T162 HydrophobicContact CE2-CG2 3.9Å; Y158-T162 PolarHBondContact O-N 3.24Å; Y158-T162 VanDerWaalsContact O-N 3.12Å; Y158-C163 HydrophobicContact CD1-CB 4.34Å; Y158-C163 HydrophobicContact CE1-CB 3.94Å; Y158-C163 WeakPolarHBondContact O-CB 3.36Å; Y158-C163 PolarHBondContact O-N 3.49Å
159L98.3Very high97.6Very high1 Ų163.5 Ų63.51%0.00531%0.313CS..Iπ-helixtrans-68.7-39.9-171.9-70173.2000113.3G99 C100 F108 L125 L129 L155 R156G99-L159 VanDerWaalsContact O-CD2 3.27Å; G99-L159 WeakPolarHBondContact O-CD2 3.38Å; C100-L159 WeakPolarHBondContact CB-O 3.37Å; F108-L159 WeakPolarHBondContact CE2-O 3.43Å; L125-L159 HydrophobicContact CD2-CD1 3.92Å; L129-L159 HydrophobicContact CD2-CD1 4.16Å; L155-L159 WeakPolarHBondContact O-CB 3.43Å; L155-L159 WeakPolarHBondContact O-CG 3.46Å; L155-L159 PolarHBondContact O-N 3.12Å; R156-L159 PolarHBondContact O-N 3.09Å
160D96.4Very high97.6Very high74 Ų7461.3 Ų61.340%0.39629%0.294SS..Iπ-helixtrans-88.9-15.7179.7-168.49.6000112.4F108 R156F108-D160 WeakPolarHBondContact CB-OD1 3.25Å; F108-D160 HydrophobicContact CD1-CB 4.46Å; F108-D160 WeakPolarHBondContact CD1-OD1 3.33Å; F108-D160 HydrophobicContact CE1-CB 4.47Å; F108-D160 HydrophobicContact CG-CB 4.47Å; F108-D160 WeakPolarHBondContact CG-OD1 3.43Å; F108-D160 HydrophobicContact CZ-CB 4.48Å; R156-D160 WeakPolarHBondContact O-CB 3.44Å; R156-D160 PolarHBondContact O-N 2.86Å
161G97.5Very high97.6Very high24 Ų2456.8 Ų56.825%0.24727%0.273CS..Iπ-helixtrans-109.2-93.3178.600000112.3A157 Y158 C163 V164 E165A157-G161 WeakPolarHBondContact O-CA 3.32Å; A157-G161 PolarHBondContact O-N 2.96Å; Y158-G161 CarbonylContact O-C 3.59Å; Y158-G161 PolarHBondContact O-N 2.62Å; G161-C163 VanDerWaalsContact C-N 3.32Å; G161-C163 PolarHBondContact O-N 3.32Å; G161-V164 WeakPolarHBondContact O-CB 3.47Å; G161-V164 PolarHBondContact O-N 3.26Å; G161-E165 PolarHBondContact O-N 2.97Å
162T97.8Very high97.6Very high57 Ų5759.8 Ų59.835%0.3529%0.287SS..Iπ-helixtrans-54-42.4-171.2-55.70000113.5Y158 V164 E165 W166Y158-T162 HydrophobicContact CD2-CG2 3.99Å; Y158-T162 HydrophobicContact CE2-CG2 3.9Å; Y158-T162 PolarHBondContact O-N 3.24Å; Y158-T162 VanDerWaalsContact O-N 3.12Å; T162-V164 PolarHBondContact O-N 3.33Å; T162-E165 PolarHBondContact O-N 3.2Å; T162-W166 PolarHBondContact O-N 3.14Å
163C98.4Very high97.6Very high0 Ų061.8 Ų61.80%030%0.297CS..Hα-helixtrans-60.5-45.1178.5-176.60000111.6M4 C100 Y158 G161 W166 L167M4-C163 HydrophobicContact CE-CB 4.14Å; M4-C163 VanDerWaalsContact CE-O 3.25Å; M4-C163 WeakPolarHBondContact CE-O 3.32Å; M4-C163 WeakPolarHBondContact CE-SG 3.4Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.31Å; C100-C163 PolarHBondContact N-SG 2.86Å; C100-C163 VanDerWaalsContact N-SG 3.35Å; C100-C163 WeakPolarHBondContact SG-CB 3.48Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.22Å; Y158-C163 HydrophobicContact CD1-CB 4.34Å; Y158-C163 HydrophobicContact CE1-CB 3.94Å; Y158-C163 WeakPolarHBondContact O-CB 3.36Å; Y158-C163 PolarHBondContact O-N 3.49Å; G161-C163 VanDerWaalsContact C-N 3.32Å; G161-C163 PolarHBondContact O-N 3.32Å; C163-W166 PolarHBondContact O-N 2.83Å; C163-L167 VanDerWaalsContact O-CB 3.32Å; C163-L167 WeakPolarHBondContact O-CB 3.35Å; C163-L167 PolarHBondContact O-N 2.61Å
164V98.4Very high97.6Very high6 Ų655.9 Ų55.94%0.03627%0.27CS..Hα-helixtrans-66.1-42179.2172.60000111.2C100 V102 F108 G161 T162 L167 R168C100-V164 HydrophobicContact CB-CG2 4.46Å; V102-V164 HydrophobicContact CG1-CB 4.39Å; V102-V164 HydrophobicContact CG1-CG1 3.92Å; V102-V164 HydrophobicContact CG1-CG2 4.06Å; F108-V164 HydrophobicContact CB-CG2 3.99Å; F108-V164 HydrophobicContact CD2-CG2 3.58Å; F108-V164 HydrophobicContact CG-CG2 4.24Å; G161-V164 WeakPolarHBondContact O-CB 3.47Å; G161-V164 PolarHBondContact O-N 3.26Å; T162-V164 PolarHBondContact O-N 3.33Å; V164-L167 PolarHBondContact O-N 3.26Å; V164-R168 VanDerWaalsContact O-CG 3.32Å; V164-R168 WeakPolarHBondContact O-CG 3.46Å; V164-R168 PolarHBondContact O-N 2.8Å
165E98.3Very high97.6Very high129 Ų12954.8 Ų54.860%0.60326%0.264SS*.Hα-helixtrans-61.3-47.5177.3-70.2177.2169.700111.8G161 T162 R168 R169G161-E165 PolarHBondContact O-N 2.97Å; T162-E165 PolarHBondContact O-N 3.2Å; E165-R168 PolarHBondContact O-N 3.39Å; E165-R169 PolarHBondContact O-N 2.89Å; E165-R169 VanDerWaalsContact O-N 3.09Å
166W98.2Very high97.4Very high69 Ų6961.8 Ų61.826%0.26130%0.295SS..Hα-helixtrans-65.5-43.8176.9-81.7111.7000112.5M4 Y58 T162 C163 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.03Å; M4-W166 HydrophobicContact SD-CB 4.48Å; Y58-W166 AromaticContact CD2-CH2 3.45Å; Y58-W166 HydrophobicContact CD2-CH2 3.45Å; Y58-W166 VanDerWaalsContact CD2-CH2 3.45Å; Y58-W166 HydrophobicContact CD2-CZ2 4.05Å; Y58-W166 AromaticContact CD2-CZ3 3.86Å; Y58-W166 HydrophobicContact CD2-CZ3 3.86Å; Y58-W166 HydrophobicContact CE2-CE3 4.38Å; Y58-W166 AromaticContact CE2-CH2 3.83Å; Y58-W166 HydrophobicContact CE2-CH2 3.83Å; Y58-W166 HydrophobicContact CE2-CZ2 4.31Å; Y58-W166 AromaticContact CE2-CZ3 3.86Å; Y58-W166 HydrophobicContact CE2-CZ3 3.86Å; T162-W166 PolarHBondContact O-N 3.14Å; C163-W166 PolarHBondContact O-N 2.83Å; W166-R168 VanDerWaalsContact C-N 3.32Å; W166-R168 PolarHBondContact O-N 2.7Å; W166-R169 WeakPolarHBondContact O-CB 3.4Å; W166-R169 PolarHBondContact O-N 3.29Å; W166-R169 VanDerWaalsContact O-N 3.14Å; W166-Y170 HydrophobicContact CB-CE2 4.02Å; W166-Y170 HydrophobicContact CD2-CE1 4.5Å; W166-Y170 HydrophobicContact CE3-CD1 4.37Å; W166-Y170 AromaticContact CE3-CE1 3.43Å; W166-Y170 HydrophobicContact CE3-CE1 3.43Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.43Å; W166-Y170 HydrophobicContact CE3-CE2 4.35Å; W166-Y170 AromaticContact CE3-CZ 3.41Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.41Å; W166-Y170 AromaticContact CZ3-CE1 3.85Å; W166-Y170 HydrophobicContact CZ3-CE1 3.85Å; W166-Y170 WeakPolarHBondContact O-CD2 3.38Å; W166-Y170 VanDerWaalsContact O-CG 3.23Å; W166-Y170 PolarHBondContact O-N 2.91Å
167L98.5Very high97.2Very high0 Ų059.9 Ų59.90%029%0.293CS..Hα-helixtrans-58.6-44.3177.1175.152.8000111.2H2 M4 V27 V102 C163 V164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.44Å; M4-L167 HydrophobicContact CB-CB 4.11Å; M4-L167 HydrophobicContact CB-CD1 4.03Å; M4-L167 HydrophobicContact CB-CD2 4.11Å; M4-L167 HydrophobicContact CB-CG 4.3Å; M4-L167 HydrophobicContact CE-CB 4.45Å; V27-L167 HydrophobicContact CG1-CD1 3.6Å; V27-L167 HydrophobicContact CG2-CD1 4.24Å; V102-L167 HydrophobicContact CB-CD2 4.35Å; V102-L167 HydrophobicContact CG1-CD2 3.95Å; V102-L167 HydrophobicContact CG2-CD2 3.62Å; V102-L167 HydrophobicContact CG2-CG 4.16Å; C163-L167 VanDerWaalsContact O-CB 3.32Å; C163-L167 WeakPolarHBondContact O-CB 3.35Å; C163-L167 PolarHBondContact O-N 2.61Å; V164-L167 PolarHBondContact O-N 3.26Å; L167-R169 PolarHBondContact O-N 2.98Å; L167-Y170 PolarHBondContact O-N 2.97Å; L167-L171 HydrophobicContact CD1-CD1 3.86Å; L167-L171 HydrophobicContact CD1-CD2 4.44Å; L167-L171 HydrophobicContact CD1-CG 3.88Å; L167-L171 HydrophobicContact CG-CD1 3.99Å; L167-L171 HydrophobicContact CG-CG 4.46Å; L167-L171 WeakPolarHBondContact O-CB 3.4Å; L167-L171 VanDerWaalsContact O-CG 3.25Å; L167-L171 WeakPolarHBondContact O-CG 3.42Å; L167-L171 PolarHBondContact O-N 3.28Å
168R98.1Very high97.1Very high117 Ų11756.9 Ų56.944%0.44227%0.268SS..Hα-helixtrans-60.7-43.6175.2-72.5174.2-175.3166.93.4112.3G106 V164 E165 W166 L171 E172G106-R168 PolarHBondContact O-NE 3.4Å; G106-R168 PolarHBondContact O-NH2 3.16Å; V164-R168 VanDerWaalsContact O-CG 3.32Å; V164-R168 WeakPolarHBondContact O-CG 3.46Å; V164-R168 PolarHBondContact O-N 2.8Å; E165-R168 PolarHBondContact O-N 3.39Å; W166-R168 VanDerWaalsContact C-N 3.32Å; W166-R168 PolarHBondContact O-N 2.7Å; R168-L171 PolarHBondContact O-N 2.84Å; R168-E172 PolarHBondContact O-N 2.95Å; R168-E172 VanDerWaalsContact O-N 3.08Å
169R97.8Very high96.8Very high124 Ų12458.1 Ų58.147%0.46828%0.276SS..Hα-helixtrans-60.6-45.3176.1177.5177.6175131.1-2.3111.3E54 E165 W166 L167 E172 N173E54-R169 IonicContact OE1-CZ 3.66Å; E54-R169 IonicContact OE1-NE 2.98Å; E54-R169 PolarHBondContact OE1-NE 3.19Å; E54-R169 IonicContact OE1-NH2 3.85Å; E54-R169 PolarHBondContact OE1-NH2 3.04Å; E54-R169 IonicContact OE2-CZ 2.72Å; E54-R169 IonicContact OE2-NE 3.97Å; E54-R169 IonicContact OE2-NH2 3.12Å; E54-R169 PolarHBondContact OE2-NH2 3.36Å; E165-R169 PolarHBondContact O-N 2.89Å; E165-R169 VanDerWaalsContact O-N 3.09Å; W166-R169 WeakPolarHBondContact O-CB 3.4Å; W166-R169 PolarHBondContact O-N 3.29Å; W166-R169 VanDerWaalsContact O-N 3.14Å; L167-R169 PolarHBondContact O-N 2.98Å; R169-E172 PolarHBondContact O-N 2.87Å; R169-N173 VanDerWaalsContact O-CB 3.27Å; R169-N173 WeakPolarHBondContact O-CB 3.15Å; R169-N173 PolarHBondContact O-N 2.9Å; R169-N173 PolarHBondContact O-OD1 3.27Å
170Y98.1Very high96.7Very high2 Ų261.6 Ų61.61%0.00829%0.289CS..Hα-helixtrans-66-39.3178.7-61.4-25.7000112.6M4 V27 F32 W50 I51 Y58 W166 L167 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.68Å; M4-Y170 HydrophobicContact SD-CE2 3.52Å; M4-Y170 VanDerWaalsContact SD-CE2 3.52Å; V27-Y170 HydrophobicContact CG2-CD2 4.01Å; F32-Y170 HydrophobicContact CD2-CE2 4.46Å; F32-Y170 HydrophobicContact CE2-CD2 4.22Å; F32-Y170 AromaticContact CE2-CE2 3.64Å; F32-Y170 HydrophobicContact CE2-CE2 3.64Å; F32-Y170 HydrophobicContact CZ-CD2 4.29Å; F32-Y170 AromaticContact CZ-CE2 3.82Å; F32-Y170 HydrophobicContact CZ-CE2 3.82Å; W50-Y170 HydrophobicContact CH2-CG 4.21Å; W50-Y170 AromaticContact CZ3-CD1 3.8Å; W50-Y170 HydrophobicContact CZ3-CD1 3.8Å; W50-Y170 HydrophobicContact CZ3-CD2 4.39Å; W50-Y170 AromaticContact CZ3-CG 3.69Å; W50-Y170 HydrophobicContact CZ3-CG 3.69Å; I51-Y170 HydrophobicContact CD1-CD1 3.78Å; I51-Y170 HydrophobicContact CD1-CE1 3.31Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.19Å; Y58-Y170 PolarHBondContact OH-OH 2.99Å; W166-Y170 HydrophobicContact CB-CE2 4.02Å; W166-Y170 HydrophobicContact CD2-CE1 4.5Å; W166-Y170 HydrophobicContact CE3-CD1 4.37Å; W166-Y170 AromaticContact CE3-CE1 3.43Å; W166-Y170 HydrophobicContact CE3-CE1 3.43Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.43Å; W166-Y170 HydrophobicContact CE3-CE2 4.35Å; W166-Y170 AromaticContact CE3-CZ 3.41Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.41Å; W166-Y170 AromaticContact CZ3-CE1 3.85Å; W166-Y170 HydrophobicContact CZ3-CE1 3.85Å; W166-Y170 WeakPolarHBondContact O-CD2 3.38Å; W166-Y170 VanDerWaalsContact O-CG 3.23Å; W166-Y170 PolarHBondContact O-N 2.91Å; L167-Y170 PolarHBondContact O-N 2.97Å; Y170-E172 VanDerWaalsContact C-N 3.3Å; Y170-E172 PolarHBondContact O-N 3.01Å; Y170-N173 PolarHBondContact O-N 3.39Å; Y170-G174 WeakPolarHBondContact O-CA 3.29Å; Y170-G174 PolarHBondContact O-N 3.05Å; Y170-L178 WeakPolarHBondContact O-CD1 3.41Å
171L97.8Very high96.6Very high13 Ų1361 Ų617%0.06829%0.289CS..Hα-helixtrans-63.9-34.5175.2-72168.6000112.8H2 V27 V102 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.65Å; H2-L171 HydrophobicContact CB-CD2 3.96Å; H2-L171 HydrophobicContact CB-CG 4.38Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.37Å; V27-L171 HydrophobicContact CG1-CD2 4.05Å; V102-L171 HydrophobicContact CG2-CD1 4.42Å; L167-L171 HydrophobicContact CD1-CD1 3.86Å; L167-L171 HydrophobicContact CD1-CD2 4.44Å; L167-L171 HydrophobicContact CD1-CG 3.88Å; L167-L171 HydrophobicContact CG-CD1 3.99Å; L167-L171 HydrophobicContact CG-CG 4.46Å; L167-L171 WeakPolarHBondContact O-CB 3.4Å; L167-L171 VanDerWaalsContact O-CG 3.25Å; L167-L171 WeakPolarHBondContact O-CG 3.42Å; L167-L171 PolarHBondContact O-N 3.28Å; R168-L171 PolarHBondContact O-N 2.84Å; L171-K175 WeakPolarHBondContact O-CA 3.48Å; L171-K175 WeakPolarHBondContact O-CB 3.37Å; L171-K175 PolarHBondContact O-N 3.36Å; L171-K175 VanDerWaalsContact O-N 3.14Å; L171-L178 HydrophobicContact CD2-CB 4.12Å; L171-L178 HydrophobicContact CD2-CD1 4.35Å; L171-Q179 HydrophobicContact CD2-CG 4.45Å; L171-Q179 PolarHBondContact O-NE2 3.35Å
172E97.2Very high96.6Very high123 Ų12362.4 Ų62.458%0.57529%0.29SS*.Hα-helixtrans-73.2-48.3174.3-171.759.3-150.900110.9R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 2.95Å; R168-E172 VanDerWaalsContact O-N 3.08Å; R169-E172 PolarHBondContact O-N 2.87Å; Y170-E172 VanDerWaalsContact C-N 3.3Å; Y170-E172 PolarHBondContact O-N 3.01Å; E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 3.28Å; E172-K175 WeakPolarHBondContact O-CB 3.2Å; E172-K175 PolarHBondContact O-N 3.45Å
173N97.3Very high96.6Very high52 Ų5262.8 Ų62.828%0.27829%0.294SS..Hα-helixtrans-58.6-41.3178.4-780.2000112.9Q53 E54 R169 Y170Q53-N173 PolarHBondContact NE2-ND2 3.28Å; Q53-N173 PolarHBondContact NE2-OD1 3.18Å; E54-N173 PolarHBondContact OE1-ND2 3.02Å; R169-N173 VanDerWaalsContact O-CB 3.27Å; R169-N173 WeakPolarHBondContact O-CB 3.15Å; R169-N173 PolarHBondContact O-N 2.9Å; R169-N173 PolarHBondContact O-OD1 3.27Å; Y170-N173 PolarHBondContact O-N 3.39Å
174G96.6Very high96.6Very high3 Ų363.2 Ų63.23%0.03130%0.297CS..THydrogen-bonded Turntrans-103.318.9-176.700000113.7Y170 E172 E176 T177 L178Y170-G174 WeakPolarHBondContact O-CA 3.29Å; Y170-G174 PolarHBondContact O-N 3.05Å; E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 3.28Å; G174-E176 VanDerWaalsContact C-N 3.28Å; G174-E176 PolarHBondContact O-N 3.28Å; G174-E176 VanDerWaalsContact O-N 3.13Å; G174-T177 PolarHBondContact O-N 2.89Å; G174-L178 PolarHBondContact O-N 3.24Å
175K95.4Very high96.6Very high107 Ų10770.6 Ų70.647%0.46533%0.328SS..Hα-helixtrans-49-44.1-170.8-177.1173.2-174.5171.60114.3L171 E172 T177 Q179L171-K175 WeakPolarHBondContact O-CA 3.48Å; L171-K175 WeakPolarHBondContact O-CB 3.37Å; L171-K175 PolarHBondContact O-N 3.36Å; L171-K175 VanDerWaalsContact O-N 3.14Å; E172-K175 WeakPolarHBondContact O-CB 3.2Å; E172-K175 PolarHBondContact O-N 3.45Å; K175-T177 PolarHBondContact O-N 2.84Å; K175-Q179 WeakPolarHBondContact O-CB 3.27Å; K175-Q179 PolarHBondContact O-N 2.04Å; K175-Q179 VanDerWaalsContact O-N 3.16Å
176E93.3Very high96.5Very high180 Ų18066.3 Ų66.384%0.84131%0.311SS*.Hα-helixtrans-65.3-23.4179.9-62.3-175.1165.900113.6G174G174-E176 VanDerWaalsContact C-N 3.28Å; G174-E176 PolarHBondContact O-N 3.28Å; G174-E176 VanDerWaalsContact O-N 3.13Å
177T92.8Very high96.4Very high47 Ų4766.8 Ų66.829%0.28832%0.316SS..Hα-helixtrans-104.7-43.2-178.2-53.30000112.5G174 K175 R180G174-T177 PolarHBondContact O-N 2.89Å; K175-T177 PolarHBondContact O-N 2.84Å; T177-R180 VanDerWaalsContact O-CG 3.3Å; T177-R180 WeakPolarHBondContact O-CG 3.36Å
178L94.5Very high96.2Very high4 Ų468 Ų682%0.02132%0.322CS..Hα-helixtrans-85.3-27.3-172.7-62.6172.9000113.1V27 T30 W50 Y170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.25Å; V27-L178 HydrophobicContact CB-CD2 4.08Å; V27-L178 HydrophobicContact CG1-CD1 3.9Å; V27-L178 HydrophobicContact CG1-CD2 4.08Å; V27-L178 HydrophobicContact CG1-CG 4.49Å; T30-L178 HydrophobicContact CG2-CD2 4.02Å; W50-L178 HydrophobicContact CD2-CD1 4.42Å; W50-L178 HydrophobicContact CH2-CD1 4.27Å; W50-L178 HydrophobicContact CZ2-CD1 3.8Å; W50-L178 HydrophobicContact CZ2-CD2 4.06Å; W50-L178 HydrophobicContact CZ2-CG 4.33Å; Y170-L178 WeakPolarHBondContact O-CD1 3.41Å; L171-L178 HydrophobicContact CD2-CB 4.12Å; L171-L178 HydrophobicContact CD2-CD1 4.35Å; G174-L178 PolarHBondContact O-N 3.24Å
179Q93.3Very high96Very high88 Ų8864 Ų6441%0.41131%0.311SS..SBendtrans-10515.7178.1-56.2-179.540.100111.8L171 K175L171-Q179 HydrophobicContact CD2-CG 4.45Å; L171-Q179 PolarHBondContact O-NE2 3.35Å; K175-Q179 WeakPolarHBondContact O-CB 3.27Å; K175-Q179 PolarHBondContact O-N 2.04Å; K175-Q179 VanDerWaalsContact O-N 3.16Å
180R94.5Very high95.9Very high74 Ų7460.8 Ų60.828%0.27930%0.301SS..  trans-82.2152.4172.283.7-172.5174.3-168.21.9109.9T177 D182 Y208T177-R180 VanDerWaalsContact O-CG 3.3Å; T177-R180 WeakPolarHBondContact O-CG 3.36Å; R180-D182 WeakPolarHBondContact CD-OD2 3.44Å; R180-D182 IonicContact CZ-OD2 2.72Å; R180-D182 IonicContact NE-OD2 3.23Å; R180-D182 PolarHBondContact NE-OD2 2.9Å; R180-D182 VanDerWaalsContact NE-OD2 3.12Å; R180-Y208 HydrophobicContact CG-CD1 3.87Å; R180-Y208 HydrophobicContact CG-CE1 4.28Å; R180-Y208 VanDerWaalsContact O-CD1 3.31Å; R180-Y208 WeakPolarHBondContact O-CD1 3.18Å
181T95.4Very high95.6Very high63 Ų6364.7 Ų64.739%0.38732%0.319SS..  trans-129.4110.9170.251.90000108Y208 E263T181-Y208 WeakPolarHBondContact CA-O 3.04Å; T181-E263 HydrophobicContact CG2-CG 4.07Å
182D97.1Very high95.4Very high52 Ų5268.7 Ų68.728%0.27835%0.345SS..BIsolated β-bridgetrans-98.7114178.7-62.9-38.4000108.1R180 F207 Y208 H262R180-D182 WeakPolarHBondContact CD-OD2 3.44Å; R180-D182 IonicContact CZ-OD2 2.72Å; R180-D182 IonicContact NE-OD2 3.23Å; R180-D182 PolarHBondContact NE-OD2 2.9Å; R180-D182 VanDerWaalsContact NE-OD2 3.12Å; D182-F207 WeakPolarHBondContact O-CA 3.15Å; D182-F207 WeakPolarHBondContact O-CB 3.44Å; D182-Y208 PolarHBondContact N-O 2.63Å; D182-Y208 PolarHBondContact O-N 3.39Å; D182-Y208 VanDerWaalsContact O-N 3.09Å; D182-H262 PolarHBondContact O-CE1 3.43Å; D182-H262 VanDerWaalsContact O-CE1 3.28Å
183P97.9Very high95.2Very high66 Ų6667.5 Ų67.543%0.42934%0.342SS..  trans-68.9147.4-17926.2-33000111.7K185 L265P183-K185 PolarHBondContact O-N 3.02Å; P183-L265 HydrophobicContact CB-CD2 3.89Å; P183-L265 HydrophobicContact CB-CG 4.46Å
184P98.3Very high94.9Very high9 Ų967.5 Ų67.56%0.05835%0.346CS..  trans-65.3132.7178.427.3-34.8000111.9T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 4.15Å; P184-T186 HydrophobicContact CG-CG2 4.31Å; P184-T186 PolarHBondContact O-N 2.86Å; P184-A204 HydrophobicContact CB-CB 3.85Å; P184-F207 HydrophobicContact CB-CB 3.88Å; P184-F207 HydrophobicContact CB-CD1 3.91Å; P184-F207 HydrophobicContact CB-CG 4.16Å; P184-I212 HydrophobicContact CB-CD1 4.02Å; P184-I212 HydrophobicContact CG-CD1 4.06Å; P184-V260 HydrophobicContact CG-CG1 3.93Å; P184-H262 HydrophobicContact CG-CB 4.08Å; P184-L265 HydrophobicContact CG-CD1 3.89Å; P184-L265 HydrophobicContact CG-CD2 4.45Å; P184-L265 HydrophobicContact CG-CG 4.23Å
185K98.1Very high94.6Very high161 Ų16174.4 Ų74.470%0.738%0.382SS*.EExtended strand (participates in β ladder)trans-79.3108.8164.2-63176.7-171170.20107.9P183 L205P183-K185 PolarHBondContact O-N 3.02Å; K185-L205 PolarHBondContact N-O 3.26Å; K185-L205 PolarHBondContact O-N 2.95Å
186T97.2Very high94.4Very high38 Ų3876.3 Ų76.323%0.23339%0.392CS..EExtended strand (participates in β ladder)trans-102.9140.1-174.959.50000112.5P184 W203 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 4.15Å; P184-T186 HydrophobicContact CG-CG2 4.31Å; P184-T186 PolarHBondContact O-N 2.86Å; T186-W203 WeakPolarHBondContact CA-O 3.37Å; T186-V260 HydrophobicContact CG2-CB 4.48Å; T186-V260 HydrophobicContact CG2-CG1 4.25Å; T186-V260 HydrophobicContact CG2-CG2 4.08Å; T186-L269 HydrophobicContact CG2-CD1 4.29Å; T186-L271 HydrophobicContact CG2-CD1 4.06Å
187H94.4Very high94.5Very high79 Ų7972 Ų7237%0.36637%0.372SS..EExtended strand (participates in β ladder)trans-150.8163.9169.368.1-77.1000110.3W203H187-W203 AromaticContact CD2-CD1 3.94Å; H187-W203 WeakPolarHBondContact CE1-CB 3.34Å; H187-W203 AromaticContact CE1-CD1 3.8Å; H187-W203 AromaticContact CE1-CG 3.5Å; H187-W203 PolarHBondContact N-O 2.89Å; H187-W203 AromaticContact NE2-CD1 3.4Å; H187-W203 AromaticContact NE2-CG 3.6Å; H187-W203 AromaticContact NE2-NE1 4Å; H187-W203 PolarHBondContact O-N 3.05Å
188M95.3Very high94.6Very high26 Ų2669.8 Ų69.813%0.12836%0.359CS..EExtended strand (participates in β ladder)trans-113.1148.1176.1-72.9-177.255.100111L200 R201 W216 L271 R272 W273M188-L200 HydrophobicContact CE-CB 4.41Å; M188-L200 HydrophobicContact CE-CD1 4.27Å; M188-L200 HydrophobicContact CE-CD2 4.27Å; M188-R201 CarbonylContact C-O 3.58Å; M188-R201 WeakPolarHBondContact CA-O 3.35Å; M188-W216 HydrophobicContact CE-CH2 3.48Å; M188-W216 VanDerWaalsContact CE-CH2 3.48Å; M188-W216 HydrophobicContact CE-CZ2 4.41Å; M188-W216 HydrophobicContact CE-CZ3 4.23Å; M188-W216 HydrophobicContact SD-CH2 4.34Å; M188-L271 HydrophobicContact CG-CB 4.36Å; M188-L271 HydrophobicContact SD-CB 3.83Å; M188-R272 VanDerWaalsContact SD-O 3.4Å; M188-W273 HydrophobicContact CB-CE3 3.87Å; M188-W273 HydrophobicContact CB-CZ3 4.27Å; M188-W273 HydrophobicContact CE-CB 3.62Å; M188-W273 HydrophobicContact CE-CE3 4.38Å; M188-W273 VanDerWaalsContact CE-N 3.33Å; M188-W273 PolarHBondContact SD-N 2.87Å
189T94.5Very high94.7Very high34 Ų3470.6 Ų70.621%0.20936%0.364CS..EExtended strand (participates in β ladder)trans-128.4143.3172.353.60000109.3H191 R201 W203T189-H191 VanDerWaalsContact CB-CE1 3.47Å; T189-H191 WeakPolarHBondContact CB-CE1 3.5Å; T189-H191 PolarHBondContact OG1-CE1 2.71Å; T189-R201 PolarHBondContact N-O 2.99Å; T189-R201 PolarHBondContact O-N 2.91Å; T189-R201 WeakPolarHBondContact OG1-CB 3.48Å; T189-R201 PolarHBondContact OG1-O 2.94Å; T189-W203 PolarHBondContact OG1-NE1 3.29Å
190H94.3Very high94.9Very high56 Ų5666.4 Ų66.426%0.25934%0.344SS..EExtended strand (participates in β ladder)trans-121.5124.8-178.9170.7-94.6000108.8A198 T199 L200 E253 W273H190-A198 WeakPolarHBondContact NE2-CB 3.25Å; H190-T199 WeakPolarHBondContact CA-O 3.41Å; H190-L200 HydrophobicContact CB-CD2 4.06Å; H190-E253 IonicContact NE2-OE1 2.71Å; H190-W273 HydrophobicContact CB-CD2 3.94Å; H190-W273 HydrophobicContact CB-CE3 4.05Å; H190-W273 HydrophobicContact CB-CH2 3.42Å; H190-W273 VanDerWaalsContact CB-CH2 3.42Å; H190-W273 HydrophobicContact CB-CZ2 3.25Å; H190-W273 HydrophobicContact CB-CZ3 3.81Å; H190-W273 AromaticContact CG-CE2 3.95Å; H190-W273 AromaticContact CG-CZ2 3.89Å
191H93.6Very high95.1Very high84 Ų8465.4 Ų65.439%0.38934%0.341SS..EExtended strand (participates in β ladder)trans-126.4104.9-178.7-59.484000108.7T189 I193 A198 T199 R201T189-H191 VanDerWaalsContact CB-CE1 3.47Å; T189-H191 WeakPolarHBondContact CB-CE1 3.5Å; T189-H191 PolarHBondContact OG1-CE1 2.71Å; H191-I193 PolarHBondContact O-N 3.16Å; H191-A198 CarbonylContact O-C 3.54Å; H191-A198 WeakPolarHBondContact O-CA 3.34Å; H191-T199 PolarHBondContact N-O 3.46Å; H191-T199 PolarHBondContact O-N 2.98Å; H191-R201 PolarHBondContact CE1-NH1 2.8Å; H191-R201 VanDerWaalsContact CE1-NH1 3.34Å
192P93.1Very high95.2Very high96 Ų9662.4 Ų62.462%0.62332%0.322SS*.EExtended strand (participates in β ladder)trans-57.8130.1172.4-20.631.2000110.5
193I91.8Very high95.2Very high98 Ų9862.1 Ų62.150%0.50332%0.317SS..  trans-97.4-44.3173.6-61.1162.1000109.4H191 E197 T199 V247H191-I193 PolarHBondContact O-N 3.16Å; I193-E197 PolarHBondContact N-O 3.5Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.09Å; I193-V247 HydrophobicContact CD1-CG1 4.05Å; I193-V247 HydrophobicContact CD1-CG2 4.1Å
194S92.3Very high95.2Very high52 Ų5259 Ų5936%0.36430%0.297SS..SBendtrans-147.5-178.1178.272.30000110.2H196 E197S194-H196 PolarHBondContact O-N 3.09Å; S194-H196 PolarHBondContact OG-N 2.82Å; S194-H196 VanDerWaalsContact OG-N 3.16Å; S194-E197 PolarHBondContact N-O 2.89Å; S194-E197 VanDerWaalsContact O-O 3.11Å; S194-E197 PolarHBondContact OG-N 2.8Å
195D89.2Confident95.2Very high149 Ų14961.2 Ų61.280%0.79731%0.308SS*.SBendtrans-63-19.8172.6-65.3-22.2000112.5S250D195-S250 WeakPolarHBondContact O-CB 3.06Å; D195-S250 PolarHBondContact O-OG 2.88Å
196H92.6Very high95.2Very high146 Ų14654.8 Ų54.868%0.67629%0.287SS*.SBendtrans-105.6-16.6-174.2-56.6-49.7000114.1S194 P249 S250S194-H196 PolarHBondContact O-N 3.09Å; S194-H196 PolarHBondContact OG-N 2.82Å; S194-H196 VanDerWaalsContact OG-N 3.16Å; H196-P249 CarbonylContact O-C 3.56Å; H196-P249 WeakPolarHBondContact O-CA 3.48Å; H196-S250 PolarHBondContact O-N 3.36Å; H196-S250 PolarHBondContact O-OG 2.85Å
197E94.9Very high95.3Very high90 Ų9053 Ų5342%0.42128%0.276SS..EExtended strand (participates in β ladder)trans-145146.6-171.4-66.4-179.8166.600112.6I193 S194 V247 V248 S250I193-E197 PolarHBondContact N-O 3.5Å; S194-E197 PolarHBondContact N-O 2.89Å; S194-E197 VanDerWaalsContact O-O 3.11Å; S194-E197 PolarHBondContact OG-N 2.8Å; E197-V247 HydrophobicContact CB-CG1 4.11Å; E197-V247 HydrophobicContact CG-CG1 4.33Å; E197-V248 WeakPolarHBondContact CA-O 3.21Å; E197-S250 PolarHBondContact N-OG 3.39Å
198A95.1Very high95.4Very high1 Ų149.4 Ų49.41%0.00826%0.259CS..EExtended strand (participates in β ladder)trans-136155.1171.700000111.2H190 H191 V248H190-A198 WeakPolarHBondContact NE2-CB 3.25Å; H191-A198 CarbonylContact O-C 3.54Å; H191-A198 WeakPolarHBondContact O-CA 3.34Å; A198-V248 PolarHBondContact N-O 2.86Å; A198-V248 WeakPolarHBondContact O-CG2 3.46Å; A198-V248 PolarHBondContact O-N 3.34Å
199T96.8Very high95.5Very high21 Ų2149.2 Ų49.213%0.12926%0.26CS..EExtended strand (participates in β ladder)trans-93.2122.4168.6-52.70000109.8H190 H191 I193 A245 V246H190-T199 WeakPolarHBondContact CA-O 3.41Å; H191-T199 PolarHBondContact N-O 3.46Å; H191-T199 PolarHBondContact O-N 2.98Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.09Å; T199-A245 HydrophobicContact CG2-CB 3.86Å; T199-V246 WeakPolarHBondContact CA-O 3.4Å
200L97.1Very high95.6Very high0 Ų048.3 Ų48.30%026%0.256CS..EExtended strand (participates in β ladder)trans-93.7126.1163.3-66.5-179.6000109.1M188 H190 W216 A245 V246 V248 E253 W273M188-L200 HydrophobicContact CE-CB 4.41Å; M188-L200 HydrophobicContact CE-CD1 4.27Å; M188-L200 HydrophobicContact CE-CD2 4.27Å; H190-L200 HydrophobicContact CB-CD2 4.06Å; L200-W216 HydrophobicContact CB-CH2 3.64Å; L200-W216 HydrophobicContact CB-CZ2 3.9Å; L200-W216 HydrophobicContact CB-CZ3 4.5Å; L200-W216 HydrophobicContact CD1-CH2 4.12Å; L200-W216 HydrophobicContact CD1-CZ3 4.33Å; L200-A245 CarbonylContact O-C 3.54Å; L200-A245 WeakPolarHBondContact O-CA 3.49Å; L200-V246 HydrophobicContact CB-CG1 4.29Å; L200-V246 PolarHBondContact N-O 2.85Å; L200-V246 PolarHBondContact O-N 3.14Å; L200-V248 HydrophobicContact CD1-CG1 3.96Å; L200-V248 HydrophobicContact CD1-CG2 3.98Å; L200-V248 HydrophobicContact CG-CG1 4.23Å; L200-V248 HydrophobicContact CG-CG2 3.85Å; L200-E253 HydrophobicContact CD1-CB 4.04Å; L200-E253 HydrophobicContact CD1-CG 4.38Å; L200-E253 HydrophobicContact CD2-CG 4.36Å; L200-W273 HydrophobicContact CD1-CB 4.36Å; L200-W273 HydrophobicContact CD2-CB 3.99Å; L200-W273 HydrophobicContact CD2-CD2 4.14Å; L200-W273 HydrophobicContact CD2-CE3 4.48Å; L200-W273 HydrophobicContact CD2-CG 3.89Å
201R97.5Very high95.8Very high52 Ų5252.4 Ų52.420%0.19628%0.275CS..EExtended strand (participates in β ladder)trans-121.7121.7175.9-176.9-177.3-61.1116.41.9110.4M188 T189 H191 W203 W243 A244 A245M188-R201 CarbonylContact C-O 3.58Å; M188-R201 WeakPolarHBondContact CA-O 3.35Å; T189-R201 PolarHBondContact N-O 2.99Å; T189-R201 PolarHBondContact O-N 2.91Å; T189-R201 WeakPolarHBondContact OG1-CB 3.48Å; T189-R201 PolarHBondContact OG1-O 2.94Å; H191-R201 PolarHBondContact CE1-NH1 2.8Å; H191-R201 VanDerWaalsContact CE1-NH1 3.34Å; R201-W203 VanDerWaalsContact CD-CE2 3.4Å; R201-W203 VanDerWaalsContact CD-CZ2 3.41Å; R201-W203 HydrophobicContact CG-CZ2 4.48Å; R201-W243 HydrophobicContact CG-CB 4.04Å; R201-W243 HydrophobicContact CG-CD2 4.12Å; R201-W243 HydrophobicContact CG-CE3 3.85Å; R201-W243 HydrophobicContact CG-CG 4.25Å; R201-A244 WeakPolarHBondContact CA-O 3.39Å; R201-A245 HydrophobicContact CB-CB 4Å; R201-A245 HydrophobicContact CG-CB 4.09Å
202C97.8Very high96Very high0 Ų048.9 Ų48.90%026%0.259CS..EExtended strand (participates in β ladder)trans-94.5121.4175.6-175.30000109.4W216 W243 A244 C258C202-W216 HydrophobicContact CB-CZ2 3.71Å; C202-W243 CarbonylContact O-C 3.58Å; C202-W243 WeakPolarHBondContact O-CA 3.32Å; C202-W243 VanDerWaalsContact O-CB 3.24Å; C202-W243 WeakPolarHBondContact O-CB 3.49Å; C202-A244 PolarHBondContact N-O 2.94Å; C202-A244 PolarHBondContact O-N 2.89Å; C202-C258 HydrophobicContact CB-CB 3.52Å; C202-C258 WeakPolarHBondContact CB-SG 3.37Å; C202-C258 WeakPolarHBondContact SG-CB 3.27Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.38Å
203W98.1Very high96.2Very high47 Ų4747 Ų4718%0.17825%0.246CC..EExtended strand (participates in β ladder)trans-105.4141.2-179.6-69.990.3000110.7T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.37Å; H187-W203 AromaticContact CD2-CD1 3.94Å; H187-W203 WeakPolarHBondContact CE1-CB 3.34Å; H187-W203 AromaticContact CE1-CD1 3.8Å; H187-W203 AromaticContact CE1-CG 3.5Å; H187-W203 PolarHBondContact N-O 2.89Å; H187-W203 AromaticContact NE2-CD1 3.4Å; H187-W203 AromaticContact NE2-CG 3.6Å; H187-W203 AromaticContact NE2-NE1 4Å; H187-W203 PolarHBondContact O-N 3.05Å; T189-W203 PolarHBondContact OG1-NE1 3.29Å; R201-W203 VanDerWaalsContact CD-CE2 3.4Å; R201-W203 VanDerWaalsContact CD-CZ2 3.41Å; R201-W203 HydrophobicContact CG-CZ2 4.48Å; W203-L205 HydrophobicContact CE3-CD2 3.93Å; W203-L205 HydrophobicContact CZ3-CD2 4.47Å; W203-W243 HydrophobicContact CD2-CB 3.92Å; W203-W243 HydrophobicContact CD2-CG 4.42Å; W203-W243 HydrophobicContact CE3-CB 3.85Å; W203-W243 AromaticContact CE3-CD1 3.85Å; W203-W243 HydrophobicContact CE3-CG 4.15Å; W203-W243 HydrophobicContact CG-CB 4.34Å; W203-W243 AromaticContact CH2-CD1 3.63Å; W203-W243 HydrophobicContact CH2-CG 4.25Å; W203-W243 HydrophobicContact CZ3-CB 4.29Å; W203-W243 AromaticContact CZ3-CD1 3.4Å; W203-W243 HydrophobicContact CZ3-CG 4.08Å
204A98.4Very high96.5Very high0 Ų042.6 Ų42.60%022%0.223CC..EExtended strand (participates in β ladder)trans-124.5122.7163.900000107.9P184 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.85Å; A204-F207 HydrophobicContact CB-CD1 4.1Å; A204-F207 HydrophobicContact CB-CE1 3.85Å; A204-F207 WeakPolarHBondContact O-CE1 3.47Å; A204-I212 HydrophobicContact CB-CD1 3.7Å; A204-L214 HydrophobicContact CB-CD1 4.06Å; A204-L214 HydrophobicContact CB-CD2 4.2Å; A204-Q241 VanDerWaalsContact O-CA 3.31Å; A204-Q241 WeakPolarHBondContact O-CA 3.34Å; A204-K242 PolarHBondContact N-O 3.38Å; A204-K242 PolarHBondContact O-N 3.44Å; A204-K242 VanDerWaalsContact O-O 3.08Å
205L98.3Very high96.8Very high56 Ų5642 Ų4229%0.29322%0.217SC..EExtended strand (participates in β ladder)trans-130.1148.8-174.9-59.3179.1000111.2K185 W203 F207 Q241K185-L205 PolarHBondContact N-O 3.26Å; K185-L205 PolarHBondContact O-N 2.95Å; W203-L205 HydrophobicContact CE3-CD2 3.93Å; W203-L205 HydrophobicContact CZ3-CD2 4.47Å; L205-F207 PolarHBondContact O-N 2.87Å; L205-Q241 HydrophobicContact CD2-CB 3.53Å
206G97.8Very high97.2Very high25 Ų2535 Ų3526%0.25818%0.18SC..EExtended strand (participates in β ladder)trans68.632167.600000114F240G206-F240 PolarHBondContact N-O 3.01Å
207F98.2Very high97.4Very high0 Ų030 Ų300%016%0.157CC..EExtended strand (participates in β ladder)trans-102.9155.8-179.859-90.2000112.6D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262D182-F207 WeakPolarHBondContact O-CA 3.15Å; D182-F207 WeakPolarHBondContact O-CB 3.44Å; P184-F207 HydrophobicContact CB-CB 3.88Å; P184-F207 HydrophobicContact CB-CD1 3.91Å; P184-F207 HydrophobicContact CB-CG 4.16Å; A204-F207 HydrophobicContact CB-CD1 4.1Å; A204-F207 HydrophobicContact CB-CE1 3.85Å; A204-F207 WeakPolarHBondContact O-CE1 3.47Å; L205-F207 PolarHBondContact O-N 2.87Å; F207-P209 WeakPolarHBondContact CD2-O 3.34Å; F207-I212 HydrophobicContact CD1-CD1 3.9Å; F207-I212 HydrophobicContact CD2-CB 4.29Å; F207-I212 HydrophobicContact CD2-CD1 4.02Å; F207-I212 HydrophobicContact CE1-CD1 3.8Å; F207-I212 HydrophobicContact CE1-CG2 4.45Å; F207-I212 HydrophobicContact CE2-CB 3.76Å; F207-I212 HydrophobicContact CE2-CD1 3.94Å; F207-I212 HydrophobicContact CE2-CG1 4.44Å; F207-I212 HydrophobicContact CE2-CG2 3.58Å; F207-I212 HydrophobicContact CG-CD1 4.02Å; F207-I212 HydrophobicContact CZ-CB 4.13Å; F207-I212 HydrophobicContact CZ-CD1 3.85Å; F207-I212 HydrophobicContact CZ-CG2 3.54Å; F207-T232 HydrophobicContact CE2-CG2 4.06Å; F207-T232 HydrophobicContact CZ-CG2 3.91Å; F207-T239 WeakPolarHBondContact O-CA 3.42Å; F207-F240 VanDerWaalsContact CD1-O 3.31Å; F207-F240 WeakPolarHBondContact CD1-O 3.38Å; F207-F240 HydrophobicContact CD2-CB 3.9Å; F207-F240 HydrophobicContact CE1-CB 4.28Å; F207-F240 WeakPolarHBondContact CE1-O 3.3Å; F207-F240 HydrophobicContact CE2-CB 3.45Å; F207-F240 VanDerWaalsContact CE2-CB 3.45Å; F207-F240 HydrophobicContact CE2-CG 4.46Å; F207-F240 HydrophobicContact CG-CB 4.47Å; F207-F240 HydrophobicContact CZ-CB 3.65Å; F207-F240 PolarHBondContact N-O 3.48Å; F207-F240 PolarHBondContact O-N 2.91Å; F207-K242 HydrophobicContact CE1-CB 4.37Å; F207-K242 HydrophobicContact CZ-CB 4.11Å; F207-H262 AromaticContact CD2-CD2 3.86Å; F207-H262 AromaticContact CD2-NE2 3.7Å
208Y97.5Very high97.5Very high4 Ų429.1 Ų29.12%0.01615%0.15CC..BIsolated β-bridgetrans-151.8135.5173.5179-84.5000109.1D29 T30 R180 T181 D182 G238 F240 H262D29-Y208 HydrophobicContact CB-CE2 4.21Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.43Å; T30-Y208 PolarHBondContact OG1-OH 2.83Å; R180-Y208 HydrophobicContact CG-CD1 3.87Å; R180-Y208 HydrophobicContact CG-CE1 4.28Å; R180-Y208 VanDerWaalsContact O-CD1 3.31Å; R180-Y208 WeakPolarHBondContact O-CD1 3.18Å; T181-Y208 WeakPolarHBondContact CA-O 3.04Å; D182-Y208 PolarHBondContact N-O 2.63Å; D182-Y208 PolarHBondContact O-N 3.39Å; D182-Y208 VanDerWaalsContact O-N 3.09Å; Y208-G238 WeakPolarHBondContact CD2-O 3.48Å; Y208-F240 HydrophobicContact CD2-CD2 4.44Å; Y208-F240 AromaticContact CD2-CE2 3.98Å; Y208-F240 HydrophobicContact CD2-CE2 3.98Å; Y208-F240 HydrophobicContact CE2-CE2 4.46Å; Y208-H262 PolarHBondContact O-CE1 2.91Å; Y208-H262 VanDerWaalsContact O-CE1 3.23Å
209P96.8Very high97.5Very high22 Ų2233.9 Ų33.914%0.14318%0.175CC..SBendcis-73179.23.431-37.1000113.4D29 F207 E211 H262D29-P209 VanDerWaalsContact OD2-CB 3.32Å; D29-P209 WeakPolarHBondContact OD2-CB 3.5Å; F207-P209 WeakPolarHBondContact CD2-O 3.34Å; P209-E211 VanDerWaalsContact C-N 3.31Å; P209-E211 PolarHBondContact O-N 3.38Å; P209-H262 PolarHBondContact O-NE2 2.92Å
210A97.4Very high97.2Very high15 Ų1535.2 Ų35.212%0.12419%0.193CC..SBendtrans-69.8-25.4-175.500000113.8D29 I212 T232 F240D29-A210 HydrophobicContact CB-CB 4.3Å; D29-A210 WeakPolarHBondContact OD2-CB 3.45Å; D29-A210 PolarHBondContact OD2-N 3.27Å; A210-I212 PolarHBondContact O-N 2.88Å; A210-T232 HydrophobicContact CB-CG2 4.28Å; A210-T232 WeakPolarHBondContact O-CG2 3.43Å; A210-F240 HydrophobicContact CB-CD1 3.71Å; A210-F240 HydrophobicContact CB-CD2 3.7Å; A210-F240 HydrophobicContact CB-CE1 3.69Å; A210-F240 HydrophobicContact CB-CE2 3.69Å; A210-F240 HydrophobicContact CB-CG 3.74Å; A210-F240 HydrophobicContact CB-CZ 3.71Å
211E97.4Very high97.1Very high143 Ų14342.1 Ų42.167%0.66823%0.226SC*.  trans-63.8116.3179-172.758.8-144.500110.3P209 H262P209-E211 VanDerWaalsContact C-N 3.31Å; P209-E211 PolarHBondContact O-N 3.38Å; E211-H262 PolarHBondContact O-CD2 2.85Å
212I98.1Very high97.1Very high10 Ų1044.3 Ų44.35%0.05124%0.241CC..  trans-152.1142.2-179-164.2171.2000109.5P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 4.02Å; P184-I212 HydrophobicContact CG-CD1 4.06Å; A204-I212 HydrophobicContact CB-CD1 3.7Å; F207-I212 HydrophobicContact CD1-CD1 3.9Å; F207-I212 HydrophobicContact CD2-CB 4.29Å; F207-I212 HydrophobicContact CD2-CD1 4.02Å; F207-I212 HydrophobicContact CE1-CD1 3.8Å; F207-I212 HydrophobicContact CE1-CG2 4.45Å; F207-I212 HydrophobicContact CE2-CB 3.76Å; F207-I212 HydrophobicContact CE2-CD1 3.94Å; F207-I212 HydrophobicContact CE2-CG1 4.44Å; F207-I212 HydrophobicContact CE2-CG2 3.58Å; F207-I212 HydrophobicContact CG-CD1 4.02Å; F207-I212 HydrophobicContact CZ-CB 4.13Å; F207-I212 HydrophobicContact CZ-CD1 3.85Å; F207-I212 HydrophobicContact CZ-CG2 3.54Å; A210-I212 PolarHBondContact O-N 2.88Å; I212-L214 HydrophobicContact CB-CD1 4.48Å; I212-L214 HydrophobicContact CD1-CD1 3.64Å; I212-L214 HydrophobicContact CG1-CD1 3.64Å; I212-L214 HydrophobicContact CG2-CD1 4.12Å; I212-K242 HydrophobicContact CG2-CB 4.25Å; I212-K242 HydrophobicContact CG2-CD 3.59Å; I212-V260 HydrophobicContact CD1-CG1 4.02Å; I212-V260 HydrophobicContact CG1-CG1 4.35Å; I212-Q261 VanDerWaalsContact CG1-O 3.31Å; I212-Q261 WeakPolarHBondContact CG1-O 3.33Å; I212-H262 HydrophobicContact CD1-CB 4.33Å; I212-H262 HydrophobicContact CG1-CB 4.08Å
213T98Very high96.9Very high55 Ų5545.5 Ų45.534%0.33725%0.247SC..EExtended strand (participates in β ladder)trans-113.4122.4174-61.20000110.2T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 4.01Å; T213-V260 WeakPolarHBondContact O-CA 3.42Å; T213-Q261 PolarHBondContact N-O 2.78Å; T213-Q261 PolarHBondContact O-N 3.1Å
214L97.9Very high96.5Very high6 Ų648.3 Ų48.33%0.03127%0.269CS..EExtended strand (participates in β ladder)trans-116.4124.1172.2-87.462.7000108.3A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 4.06Å; A204-L214 HydrophobicContact CB-CD2 4.2Å; I212-L214 HydrophobicContact CB-CD1 4.48Å; I212-L214 HydrophobicContact CD1-CD1 3.64Å; I212-L214 HydrophobicContact CG1-CD1 3.64Å; I212-L214 HydrophobicContact CG2-CD1 4.12Å; L214-L229 HydrophobicContact CB-CD1 4.12Å; L214-K242 HydrophobicContact CD1-CD 4.28Å; L214-K242 HydrophobicContact CD2-CB 4.37Å; L214-K242 HydrophobicContact CD2-CG 4.4Å; L214-A244 HydrophobicContact CB-CB 4.06Å; L214-A244 HydrophobicContact CD2-CB 4.29Å; L214-H259 WeakPolarHBondContact CA-O 3.28Å; L214-V260 HydrophobicContact CD1-CG1 4.08Å; L214-V260 HydrophobicContact CG-CG2 4.35Å
215T97.3Very high96.1Very high39 Ų3957.4 Ų57.424%0.23931%0.312CS..EExtended strand (participates in β ladder)trans-134.8147.9179.247.20000110.9T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 4.01Å; T215-C258 CarbonylContact O-C 3.55Å; T215-C258 WeakPolarHBondContact O-CA 3.39Å; T215-H259 PolarHBondContact N-O 2.88Å; T215-H259 PolarHBondContact O-N 2.88Å; T215-H259 WeakPolarHBondContact OG1-CB 3.42Å
216W97.7Very high95.6Very high3 Ų360 Ų601%0.01133%0.326CS..EExtended strand (participates in β ladder)trans-106.4136.7172.1-83.1105.8000110M188 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 4.41Å; M188-W216 HydrophobicContact CE-CZ3 4.23Å; M188-W216 HydrophobicContact SD-CH2 4.34Å; L200-W216 HydrophobicContact CB-CH2 3.64Å; L200-W216 HydrophobicContact CB-CZ2 3.9Å; L200-W216 HydrophobicContact CB-CZ3 4.5Å; L200-W216 HydrophobicContact CD1-CH2 4.12Å; L200-W216 HydrophobicContact CD1-CZ3 4.33Å; C202-W216 HydrophobicContact CB-CZ2 3.71Å; W216-Q223 HydrophobicContact CB-CB 4.19Å; W216-Q223 PolarHBondContact O-N 3.25Å; W216-A244 VanDerWaalsContact NE1-C 3.33Å; W216-A244 PolarHBondContact NE1-O 2.75Å; W216-V246 HydrophobicContact CD2-CB 4.39Å; W216-V246 HydrophobicContact CD2-CG1 3.6Å; W216-V246 HydrophobicContact CE3-CG1 3.9Å; W216-V246 HydrophobicContact CG-CB 4.21Å; W216-V246 HydrophobicContact CG-CG1 3.91Å; W216-V246 HydrophobicContact CH2-CG1 4.33Å; W216-V246 HydrophobicContact CZ2-CG1 4.11Å; W216-V246 HydrophobicContact CZ3-CG1 4.27Å; W216-T257 WeakPolarHBondContact CA-O 3.15Å; W216-T257 VanDerWaalsContact CE3-C 3.46Å; W216-C258 HydrophobicContact CD2-CB 4.22Å; W216-C258 HydrophobicContact CE3-CB 4.14Å; W216-C258 HydrophobicContact CH2-CB 4.08Å; W216-C258 HydrophobicContact CZ2-CB 4.12Å; W216-C258 HydrophobicContact CZ3-CB 4.06Å
217Q97.6Very high95.4Very high41 Ų4160 Ų6019%0.19232%0.321CS..EExtended strand (participates in β ladder)trans-123.5145172.2-69.2-174.2-8.700110.3E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.53Å; Q217-E221 VanDerWaalsContact CA-O 3.24Å; Q217-E221 WeakPolarHBondContact CA-O 3.22Å; Q217-D222 VanDerWaalsContact CG-OD1 3.23Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.23Å; Q217-D222 PolarHBondContact NE2-OD1 3.45Å; Q217-Y256 CarbonylContact O-C 3.58Å; Q217-Y256 VanDerWaalsContact O-CA 3.26Å; Q217-Y256 WeakPolarHBondContact O-CA 3.33Å; Q217-T257 PolarHBondContact N-O 3.46Å; Q217-T257 PolarHBondContact O-N 3.48Å; Q217-H259 PolarHBondContact OE1-NE2 2.91Å
218R96.7Very high95.4Very high71 Ų7165.4 Ų65.427%0.26835%0.346SS..EExtended strand (participates in β ladder)trans-116.6117.4168.3-176.6-172.6-176.4179.30.5108G220 E221 Q223 E252 R255 Y256R218-G220 PolarHBondContact O-N 3.49Å; R218-E221 PolarHBondContact N-O 3.19Å; R218-E221 PolarHBondContact O-N 3.06Å; R218-Q223 HydrophobicContact CB-CG 3.95Å; R218-E252 IonicContact CZ-OE2 3.1Å; R218-E252 IonicContact NE-OE2 2.67Å; R218-E252 IonicContact NH2-OE1 3.52Å; R218-E252 IonicContact NH2-OE2 2.79Å; R218-E252 PolarHBondContact NH2-OE2 3.29Å; R218-R255 WeakPolarHBondContact CA-O 3.48Å; R218-R255 HydrophobicContact CG-CB 4.38Å; R218-Y256 HydrophobicContact CB-CD1 4.11Å; R218-Y256 HydrophobicContact CB-CE1 3.92Å; R218-Y256 HydrophobicContact CG-CD1 4.47Å; R218-Y256 HydrophobicContact CG-CD2 4.49Å; R218-Y256 HydrophobicContact CG-CE1 4.11Å; R218-Y256 HydrophobicContact CG-CE2 4.1Å
219D94.4Very high95.3Very high101 Ų10169.5 Ų69.554%0.5437%0.368SS..THydrogen-bonded Turntrans50.428.8-175.2-54-50.3000114.3R255D219-R255 PolarHBondContact N-O 3.19Å; D219-R255 IonicContact OD1-NE 3.73Å; D219-R255 PolarHBondContact OD1-NE 3.29Å; D219-R255 IonicContact OD2-CZ 3.77Å; D219-R255 IonicContact OD2-NE 3.6Å; D219-R255 PolarHBondContact OD2-NE 2.9Å; D219-R255 IonicContact OD2-NH2 2.62Å; D219-R255 PolarHBondContact OD2-NH2 2.96Å
220G91.4Very high95.3Very high50 Ų5070 Ų7052%0.51537%0.37SS..THydrogen-bonded Turntrans92.2-2.1-177.700000115.5R218R218-G220 PolarHBondContact O-N 3.49Å
221E95.8Very high95.3Very high145 Ų14577.5 Ų77.568%0.67840%0.403SS*.EExtended strand (participates in β ladder)trans-97.1128.3176-63.4-174.217200111.9Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.53Å; Q217-E221 VanDerWaalsContact CA-O 3.24Å; Q217-E221 WeakPolarHBondContact CA-O 3.22Å; R218-E221 PolarHBondContact N-O 3.19Å; R218-E221 PolarHBondContact O-N 3.06Å; E221-Q223 PolarHBondContact O-NE2 3.49Å
222D95.7Very high95.3Very high97 Ų9772.9 Ų72.952%0.51939%0.385SS..EExtended strand (participates in β ladder)trans-62.6134.5-179-69-23.5000112.5Q217Q217-D222 VanDerWaalsContact CG-OD1 3.23Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.23Å; Q217-D222 PolarHBondContact NE2-OD1 3.45Å
223Q95.1Very high95.2Very high25 Ų2576.9 Ų76.912%0.11740%0.399CS..  trans-106.139.3-177-57.6-61.2-69.900112.2W216 R218 E221 Q225 D226 T227 Y256W216-Q223 HydrophobicContact CB-CB 4.19Å; W216-Q223 PolarHBondContact O-N 3.25Å; R218-Q223 HydrophobicContact CB-CG 3.95Å; E221-Q223 PolarHBondContact O-NE2 3.49Å; Q223-Q225 VanDerWaalsContact C-N 3.32Å; Q223-Q225 PolarHBondContact O-N 3.11Å; Q223-D226 PolarHBondContact O-N 3.46Å; Q223-T227 WeakPolarHBondContact O-CB 3.45Å; Q223-T227 PolarHBondContact O-N 3.05Å; Q223-T227 VanDerWaalsContact O-N 3.11Å; Q223-T227 PolarHBondContact O-OG1 2.83Å; Q223-Y256 HydrophobicContact CG-CE1 4.39Å
224T89.9Confident95.2Very high107 Ų10778.8 Ų78.866%0.65641%0.412SS*.THydrogen-bonded Turntrans-59.7-36.4-168.9-46.70000114
225Q89.9Confident95.1Very high190 Ų19080.8 Ų80.889%0.88843%0.43SS*.THydrogen-bonded Turntrans-75.9-32.6-178.3-67-174.47.100113Q223 T227Q223-Q225 VanDerWaalsContact C-N 3.32Å; Q223-Q225 PolarHBondContact O-N 3.11Å; Q225-T227 VanDerWaalsContact C-N 3.33Å
226D87.1Confident95Very high112 Ų11282.7 Ų82.760%0.59946%0.457SS*.THydrogen-bonded Turntrans-92.40.4-177.8-56.4-52.9000112.5Q223Q223-D226 PolarHBondContact O-N 3.46Å
227T94.5Very high94.7Very high24 Ų2488 Ų8815%0.14749%0.485CS..EExtended strand (participates in β ladder)trans-94.3120.5179.7-64.80000110.8Q223 Q225 L229 A244 A245Q223-T227 WeakPolarHBondContact O-CB 3.45Å; Q223-T227 PolarHBondContact O-N 3.05Å; Q223-T227 VanDerWaalsContact O-N 3.11Å; Q223-T227 PolarHBondContact O-OG1 2.83Å; Q225-T227 VanDerWaalsContact C-N 3.33Å; T227-L229 HydrophobicContact CG2-CB 4.33Å; T227-L229 PolarHBondContact O-N 3.22Å; T227-A244 HydrophobicContact CG2-CB 3.98Å; T227-A245 CarbonylContact C-O 3.52Å; T227-A245 VanDerWaalsContact CA-O 3.31Å; T227-A245 WeakPolarHBondContact CA-O 3.33Å
228E96.3Very high94.5Very high114 Ų11488 Ų8853%0.53350%0.496SS..EExtended strand (participates in β ladder)trans-77.1106.1163-173.2-174.2-171.900109W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.23Å; E228-W243 HydrophobicContact CG-CH2 3.88Å; E228-W243 HydrophobicContact CG-CZ3 3.85Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.45Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.2Å; E228-A244 CarbonylContact O-C 3.55Å; E228-A244 WeakPolarHBondContact O-CA 3.37Å; E228-A245 HydrophobicContact CB-CB 4.41Å; E228-A245 PolarHBondContact N-O 3.31Å; E228-A245 PolarHBondContact O-N 3.43Å
229L96.6Very high94.5Very high90 Ų9085.3 Ų85.347%0.47149%0.488SS..EExtended strand (participates in β ladder)trans-111.2119.3178.5-174.968.2000110L214 T227 K242 A244L214-L229 HydrophobicContact CB-CD1 4.12Å; T227-L229 HydrophobicContact CG2-CB 4.33Å; T227-L229 PolarHBondContact O-N 3.22Å; L229-K242 HydrophobicContact CD1-CD 4.46Å; L229-A244 HydrophobicContact CD1-CB 3.64Å
230V96.6Very high94.7Very high32 Ų3281.6 Ų81.619%0.19447%0.467CS..PPolyproline II helixtrans-84.1153174.7-64.10000112.1K242 W243V230-K242 HydrophobicContact CG2-CG 4.42Å; V230-K242 VanDerWaalsContact O-CE 3.28Å; V230-K242 WeakPolarHBondContact O-CE 3.48Å; V230-K242 WeakPolarHBondContact O-CG 3.47Å; V230-K242 PolarHBondContact O-NZ 2.99Å; V230-W243 HydrophobicContact CB-CZ2 4.39Å; V230-W243 HydrophobicContact CG1-CD2 3.98Å; V230-W243 HydrophobicContact CG1-CE3 4.3Å; V230-W243 HydrophobicContact CG1-CH2 3.58Å; V230-W243 HydrophobicContact CG1-CZ2 3.17Å; V230-W243 HydrophobicContact CG1-CZ3 4.11Å; V230-W243 HydrophobicContact CG2-CD2 3.76Å; V230-W243 HydrophobicContact CG2-CE3 4.5Å; V230-W243 HydrophobicContact CG2-CG 3.73Å; V230-W243 HydrophobicContact CG2-CZ2 4.39Å; V230-W243 WeakPolarHBondContact CG2-O 3.46Å; V230-W243 PolarHBondContact N-O 3.28Å
231E96.6Very high95Very high172 Ų17281.4 Ų81.480%0.80445%0.453SS*.PPolyproline II helixtrans-57.6149.4168-67.7-176.1174.100111.3R233E231-R233 PolarHBondContact O-N 3.37Å
232T97.8Very high95.2Very high47 Ų4775.5 Ų75.529%0.28843%0.425SS..PPolyproline II helixtrans-68.9129.7174.3-56.60000108.5F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.06Å; F207-T232 HydrophobicContact CZ-CG2 3.91Å; A210-T232 HydrophobicContact CB-CG2 4.28Å; A210-T232 WeakPolarHBondContact O-CG2 3.43Å; T232-F240 HydrophobicContact CG2-CB 3.79Å; T232-F240 HydrophobicContact CG2-CD1 3.92Å; T232-F240 HydrophobicContact CG2-CG 4.13Å; T232-K242 WeakPolarHBondContact OG1-CD 3.25Å; T232-K242 PolarHBondContact OG1-NZ 3.45Å
233R97.2Very high95.3Very high93 Ų9372 Ų7235%0.35141%0.405SS..EExtended strand (participates in β ladder)trans-126.5145.5-174.968.5-167.9-178.2-160.60.2111.5E231 F240 Q241E231-R233 PolarHBondContact O-N 3.37Å; R233-F240 WeakPolarHBondContact O-CA 3.36Å; R233-Q241 HydrophobicContact CG-CG 3.59Å; R233-Q241 PolarHBondContact N-O 3.08Å; R233-Q241 WeakPolarHBondContact O-CG 3.32Å; R233-Q241 PolarHBondContact O-N 3.4Å
234P97.1Very high95.4Very high95 Ų9570.9 Ų70.962%0.61740%0.399SS*.EExtended strand (participates in β ladder)trans-68.6144.8177.828.6-34.4000111.1F240P234-F240 HydrophobicContact CB-CE1 4.29Å
235A96.6Very high95.8Very high49 Ų4965.9 Ų65.941%0.40537%0.369SS..  trans-88.4-16.717300000113T239A235-T239 PolarHBondContact N-O 3.04Å
236G93.6Very high96.1Very high78 Ų7857 Ų5780%0.80433%0.327SS*.SBendtrans96.3-7.1179.100000114.9
237D93.1Very high96.6Very high114 Ų11455 Ų5561%0.6132%0.319SS*.SBendtrans-10613.2176.961.8-0.6000113T239D237-T239 WeakPolarHBondContact OD1-CB 3.32Å; D237-T239 PolarHBondContact OD1-N 3.12Å; D237-T239 PolarHBondContact OD1-OG1 3.48Å
238G92.3Very high96.7Very high41 Ų4153.9 Ų53.942%0.42331%0.312SS..SBendtrans85.44.8-173.700000114.4Y208Y208-G238 WeakPolarHBondContact CD2-O 3.48Å
239T97.1Very high96.6Very high15 Ų1550.6 Ų50.69%0.09230%0.301CS..  trans-108.5172.5171.873.70000112.3F207 A235 D237F207-T239 WeakPolarHBondContact O-CA 3.42Å; A235-T239 PolarHBondContact N-O 3.04Å; D237-T239 WeakPolarHBondContact OD1-CB 3.32Å; D237-T239 PolarHBondContact OD1-N 3.12Å; D237-T239 PolarHBondContact OD1-OG1 3.48Å
240F98.3Very high96.4Very high24 Ų2449 Ų4911%0.10530%0.297CS..EExtended strand (participates in β ladder)trans-120.6162.3-177.8-63.8-85.9000112.3D29 G206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.8Å; D29-F240 HydrophobicContact CB-CZ 3.68Å; G206-F240 PolarHBondContact N-O 3.01Å; F207-F240 VanDerWaalsContact CD1-O 3.31Å; F207-F240 WeakPolarHBondContact CD1-O 3.38Å; F207-F240 HydrophobicContact CD2-CB 3.9Å; F207-F240 HydrophobicContact CE1-CB 4.28Å; F207-F240 WeakPolarHBondContact CE1-O 3.3Å; F207-F240 HydrophobicContact CE2-CB 3.45Å; F207-F240 VanDerWaalsContact CE2-CB 3.45Å; F207-F240 HydrophobicContact CE2-CG 4.46Å; F207-F240 HydrophobicContact CG-CB 4.47Å; F207-F240 HydrophobicContact CZ-CB 3.65Å; F207-F240 PolarHBondContact N-O 3.48Å; F207-F240 PolarHBondContact O-N 2.91Å; Y208-F240 HydrophobicContact CD2-CD2 4.44Å; Y208-F240 AromaticContact CD2-CE2 3.98Å; Y208-F240 HydrophobicContact CD2-CE2 3.98Å; Y208-F240 HydrophobicContact CE2-CE2 4.46Å; A210-F240 HydrophobicContact CB-CD1 3.71Å; A210-F240 HydrophobicContact CB-CD2 3.7Å; A210-F240 HydrophobicContact CB-CE1 3.69Å; A210-F240 HydrophobicContact CB-CE2 3.69Å; A210-F240 HydrophobicContact CB-CG 3.74Å; A210-F240 HydrophobicContact CB-CZ 3.71Å; T232-F240 HydrophobicContact CG2-CB 3.79Å; T232-F240 HydrophobicContact CG2-CD1 3.92Å; T232-F240 HydrophobicContact CG2-CG 4.13Å; R233-F240 WeakPolarHBondContact O-CA 3.36Å; P234-F240 HydrophobicContact CB-CE1 4.29Å
241Q98.3Very high96.1Very high45 Ų4550.6 Ų50.621%0.2132%0.321CS..EExtended strand (participates in β ladder)trans-140.7146.3174.443.8166.8-2200110.1A204 L205 R233A204-Q241 VanDerWaalsContact O-CA 3.31Å; A204-Q241 WeakPolarHBondContact O-CA 3.34Å; L205-Q241 HydrophobicContact CD2-CB 3.53Å; R233-Q241 HydrophobicContact CG-CG 3.59Å; R233-Q241 PolarHBondContact N-O 3.08Å; R233-Q241 WeakPolarHBondContact O-CG 3.32Å; R233-Q241 PolarHBondContact O-N 3.4Å
242K98.5Very high96Very high21 Ų2145 Ų459%0.09129%0.294CS..EExtended strand (participates in β ladder)trans-151.3153.9176.8-162.4-176-17270.50109A204 F207 I212 L214 L229 V230 T232A204-K242 PolarHBondContact N-O 3.38Å; A204-K242 PolarHBondContact O-N 3.44Å; A204-K242 VanDerWaalsContact O-O 3.08Å; F207-K242 HydrophobicContact CE1-CB 4.37Å; F207-K242 HydrophobicContact CZ-CB 4.11Å; I212-K242 HydrophobicContact CG2-CB 4.25Å; I212-K242 HydrophobicContact CG2-CD 3.59Å; L214-K242 HydrophobicContact CD1-CD 4.28Å; L214-K242 HydrophobicContact CD2-CB 4.37Å; L214-K242 HydrophobicContact CD2-CG 4.4Å; L229-K242 HydrophobicContact CD1-CD 4.46Å; V230-K242 HydrophobicContact CG2-CG 4.42Å; V230-K242 VanDerWaalsContact O-CE 3.28Å; V230-K242 WeakPolarHBondContact O-CE 3.48Å; V230-K242 WeakPolarHBondContact O-CG 3.47Å; V230-K242 PolarHBondContact O-NZ 2.99Å; T232-K242 WeakPolarHBondContact OG1-CD 3.25Å; T232-K242 PolarHBondContact OG1-NZ 3.45Å
243W98.1Very high95.7Very high25 Ų2543.7 Ų43.710%0.09529%0.285CS..EExtended strand (participates in β ladder)trans-142.9157.2169.259.4-98.2000111.4R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 4.04Å; R201-W243 HydrophobicContact CG-CD2 4.12Å; R201-W243 HydrophobicContact CG-CE3 3.85Å; R201-W243 HydrophobicContact CG-CG 4.25Å; C202-W243 CarbonylContact O-C 3.58Å; C202-W243 WeakPolarHBondContact O-CA 3.32Å; C202-W243 VanDerWaalsContact O-CB 3.24Å; C202-W243 WeakPolarHBondContact O-CB 3.49Å; W203-W243 HydrophobicContact CD2-CB 3.92Å; W203-W243 HydrophobicContact CD2-CG 4.42Å; W203-W243 HydrophobicContact CE3-CB 3.85Å; W203-W243 AromaticContact CE3-CD1 3.85Å; W203-W243 HydrophobicContact CE3-CG 4.15Å; W203-W243 HydrophobicContact CG-CB 4.34Å; W203-W243 AromaticContact CH2-CD1 3.63Å; W203-W243 HydrophobicContact CH2-CG 4.25Å; W203-W243 HydrophobicContact CZ3-CB 4.29Å; W203-W243 AromaticContact CZ3-CD1 3.4Å; W203-W243 HydrophobicContact CZ3-CG 4.08Å; E228-W243 HydrophobicContact CB-CZ3 4.23Å; E228-W243 HydrophobicContact CG-CH2 3.88Å; E228-W243 HydrophobicContact CG-CZ3 3.85Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.45Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.2Å; V230-W243 HydrophobicContact CB-CZ2 4.39Å; V230-W243 HydrophobicContact CG1-CD2 3.98Å; V230-W243 HydrophobicContact CG1-CE3 4.3Å; V230-W243 HydrophobicContact CG1-CH2 3.58Å; V230-W243 HydrophobicContact CG1-CZ2 3.17Å; V230-W243 HydrophobicContact CG1-CZ3 4.11Å; V230-W243 HydrophobicContact CG2-CD2 3.76Å; V230-W243 HydrophobicContact CG2-CE3 4.5Å; V230-W243 HydrophobicContact CG2-CG 3.73Å; V230-W243 HydrophobicContact CG2-CZ2 4.39Å; V230-W243 WeakPolarHBondContact CG2-O 3.46Å; V230-W243 PolarHBondContact N-O 3.28Å; W243-A245 HydrophobicContact CE3-CB 3.96Å; W243-A245 HydrophobicContact CZ3-CB 3.64Å
244A98Very high95.5Very high0 Ų044 Ų440%029%0.29CS..EExtended strand (participates in β ladder)trans-130.3132.4173.700000108.6R201 C202 L214 W216 T227 E228 L229R201-A244 WeakPolarHBondContact CA-O 3.39Å; C202-A244 PolarHBondContact N-O 2.94Å; C202-A244 PolarHBondContact O-N 2.89Å; L214-A244 HydrophobicContact CB-CB 4.06Å; L214-A244 HydrophobicContact CD2-CB 4.29Å; W216-A244 VanDerWaalsContact NE1-C 3.33Å; W216-A244 PolarHBondContact NE1-O 2.75Å; T227-A244 HydrophobicContact CG2-CB 3.98Å; E228-A244 CarbonylContact O-C 3.55Å; E228-A244 WeakPolarHBondContact O-CA 3.37Å; L229-A244 HydrophobicContact CD1-CB 3.64Å
245A97.5Very high95.4Very high3 Ų344.2 Ų44.23%0.02528%0.279CS..EExtended strand (participates in β ladder)trans-124.3146.9179.600000111.9T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.86Å; L200-A245 CarbonylContact O-C 3.54Å; L200-A245 WeakPolarHBondContact O-CA 3.49Å; R201-A245 HydrophobicContact CB-CB 4Å; R201-A245 HydrophobicContact CG-CB 4.09Å; T227-A245 CarbonylContact C-O 3.52Å; T227-A245 VanDerWaalsContact CA-O 3.31Å; T227-A245 WeakPolarHBondContact CA-O 3.33Å; E228-A245 HydrophobicContact CB-CB 4.41Å; E228-A245 PolarHBondContact N-O 3.31Å; E228-A245 PolarHBondContact O-N 3.43Å; W243-A245 HydrophobicContact CE3-CB 3.96Å; W243-A245 HydrophobicContact CZ3-CB 3.64Å
246V97.5Very high95.4Very high2 Ų242.3 Ų42.31%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-136.5142.5175.8630000108.9T199 L200 W216 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.4Å; L200-V246 HydrophobicContact CB-CG1 4.29Å; L200-V246 PolarHBondContact N-O 2.85Å; L200-V246 PolarHBondContact O-N 3.14Å; W216-V246 HydrophobicContact CD2-CB 4.39Å; W216-V246 HydrophobicContact CD2-CG1 3.6Å; W216-V246 HydrophobicContact CE3-CG1 3.9Å; W216-V246 HydrophobicContact CG-CB 4.21Å; W216-V246 HydrophobicContact CG-CG1 3.91Å; W216-V246 HydrophobicContact CH2-CG1 4.33Å; W216-V246 HydrophobicContact CZ2-CG1 4.11Å; W216-V246 HydrophobicContact CZ3-CG1 4.27Å; V246-V248 HydrophobicContact CG1-CG1 3.78Å; V246-V248 HydrophobicContact CG2-CG1 4.44Å; V246-Y256 HydrophobicContact CG1-CD1 4.03Å; V246-Y256 HydrophobicContact CG1-CE1 4.45Å; V246-Y256 HydrophobicContact CG2-CD1 4.38Å; V246-Y256 HydrophobicContact CG2-CE1 4.04Å
247V97Very high95.6Very high70 Ų7039 Ų3942%0.42423%0.226SC..EExtended strand (participates in β ladder)trans-84.8128.2170.9-179.50000108.1I193 E197I193-V247 HydrophobicContact CD1-CG1 4.05Å; I193-V247 HydrophobicContact CD1-CG2 4.1Å; E197-V247 HydrophobicContact CB-CG1 4.11Å; E197-V247 HydrophobicContact CG-CG1 4.33Å
248V96.1Very high95.8Very high1 Ų133.6 Ų33.61%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-126.5144.9-176.5-52.90000110.5E197 A198 L200 V246 E253 Y256E197-V248 WeakPolarHBondContact CA-O 3.21Å; A198-V248 PolarHBondContact N-O 2.86Å; A198-V248 WeakPolarHBondContact O-CG2 3.46Å; A198-V248 PolarHBondContact O-N 3.34Å; L200-V248 HydrophobicContact CD1-CG1 3.96Å; L200-V248 HydrophobicContact CD1-CG2 3.98Å; L200-V248 HydrophobicContact CG-CG1 4.23Å; L200-V248 HydrophobicContact CG-CG2 3.85Å; V246-V248 HydrophobicContact CG1-CG1 3.78Å; V246-V248 HydrophobicContact CG2-CG1 4.44Å; V248-E253 HydrophobicContact CG2-CG 3.94Å; V248-Y256 HydrophobicContact CB-CD2 4.02Å; V248-Y256 HydrophobicContact CB-CE2 3.73Å; V248-Y256 HydrophobicContact CG1-CD1 3.7Å; V248-Y256 HydrophobicContact CG1-CD2 3.6Å; V248-Y256 HydrophobicContact CG1-CE1 3.65Å; V248-Y256 HydrophobicContact CG1-CE2 3.57Å; V248-Y256 HydrophobicContact CG1-CG 3.66Å
249P95.8Very high96.1Very high45 Ų4533.3 Ų33.329%0.29218%0.184SC..EExtended strand (participates in β ladder)trans-62.7140.1169.8-2032.2000111.5H196 G251 E252H196-P249 CarbonylContact O-C 3.56Å; H196-P249 WeakPolarHBondContact O-CA 3.48Å; P249-G251 PolarHBondContact O-N 3.13Å; P249-E252 HydrophobicContact CB-CB 4.29Å; P249-E252 HydrophobicContact CB-CG 4.09Å; P249-E252 HydrophobicContact CG-CG 4.5Å; P249-E252 WeakPolarHBondContact O-CB 3.48Å; P249-E252 PolarHBondContact O-N 2.79Å
250S91.4Very high96.1Very high57 Ų5732.6 Ų32.640%0.39918%0.18SC..THydrogen-bonded Turntrans-55.4126.9175.5-64.80000110.8D195 H196 E197 E252D195-S250 WeakPolarHBondContact O-CB 3.06Å; D195-S250 PolarHBondContact O-OG 2.88Å; H196-S250 PolarHBondContact O-N 3.36Å; H196-S250 PolarHBondContact O-OG 2.85Å; E197-S250 PolarHBondContact N-OG 3.39Å; S250-E252 VanDerWaalsContact C-N 3.34Å
251G89.7Confident96.1Very high66 Ų6636.3 Ų36.368%0.6820%0.197SC*.THydrogen-bonded Turntrans89-6.5-178.800000114.7P249 E253P249-G251 PolarHBondContact O-N 3.13Å; G251-E253 WeakPolarHBondContact CA-OE2 3.49Å; G251-E253 VanDerWaalsContact N-CD 3.31Å; G251-E253 PolarHBondContact N-OE1 2.73Å; G251-E253 PolarHBondContact N-OE2 2.83Å
252E94.1Very high96.1Very high53 Ų5334.9 Ų34.925%0.24819%0.191CC..  trans-98.74175.2-65.3-159.9-154.300113.6R218 P249 S250 Q254 R255 Y256R218-E252 IonicContact CZ-OE2 3.1Å; R218-E252 IonicContact NE-OE2 2.67Å; R218-E252 IonicContact NH2-OE1 3.52Å; R218-E252 IonicContact NH2-OE2 2.79Å; R218-E252 PolarHBondContact NH2-OE2 3.29Å; P249-E252 HydrophobicContact CB-CB 4.29Å; P249-E252 HydrophobicContact CB-CG 4.09Å; P249-E252 HydrophobicContact CG-CG 4.5Å; P249-E252 WeakPolarHBondContact O-CB 3.48Å; P249-E252 PolarHBondContact O-N 2.79Å; S250-E252 VanDerWaalsContact C-N 3.34Å; E252-Q254 PolarHBondContact O-N 3.27Å; E252-R255 WeakPolarHBondContact O-CB 3.34Å; E252-R255 PolarHBondContact O-N 2.99Å; E252-R255 IonicContact OE1-NH1 3.49Å; E252-R255 IonicContact OE2-CZ 3.76Å; E252-R255 IonicContact OE2-NE 2.7Å; E252-R255 IonicContact OE2-NH1 3.73Å; E252-R255 PolarHBondContact OE2-NH1 3.07Å; E252-Y256 HydrophobicContact CB-CE2 4.36Å; E252-Y256 WeakPolarHBondContact O-CD2 3.42Å
253E93.4Very high96Very high21 Ų2140.8 Ų40.810%0.09822%0.219CC..G310 helixtrans-56.6-32.3-171.8-57.780-17800112.7H190 L200 V248 G251 R255 Y256 W273H190-E253 IonicContact NE2-OE1 2.71Å; L200-E253 HydrophobicContact CD1-CB 4.04Å; L200-E253 HydrophobicContact CD1-CG 4.38Å; L200-E253 HydrophobicContact CD2-CG 4.36Å; V248-E253 HydrophobicContact CG2-CG 3.94Å; G251-E253 WeakPolarHBondContact CA-OE2 3.49Å; G251-E253 VanDerWaalsContact N-CD 3.31Å; G251-E253 PolarHBondContact N-OE1 2.73Å; G251-E253 PolarHBondContact N-OE2 2.83Å; E253-R255 VanDerWaalsContact C-N 3.26Å; E253-R255 PolarHBondContact O-N 2.95Å; E253-Y256 PolarHBondContact O-N 3.26Å; E253-W273 HydrophobicContact CB-CB 4.27Å; E253-W273 HydrophobicContact CB-CG 4.37Å
254Q92.6Very high95.8Very high99 Ų9940.4 Ų40.446%0.46322%0.223SC..G310 helixtrans-70.1-19.9179.7-63.7-56.6-46.500114.1E252 W273E252-Q254 PolarHBondContact O-N 3.27Å; Q254-W273 PolarHBondContact NE2-O 3.08Å
255R95.2Very high95.8Very high100 Ų10041.6 Ų41.638%0.37723%0.229SC..G310 helixtrans-76.1-16.8175.9-63174.867.4179.45.6111.9R218 D219 E252 E253R218-R255 WeakPolarHBondContact CA-O 3.48Å; R218-R255 HydrophobicContact CG-CB 4.38Å; D219-R255 PolarHBondContact N-O 3.19Å; D219-R255 IonicContact OD1-NE 3.73Å; D219-R255 PolarHBondContact OD1-NE 3.29Å; D219-R255 IonicContact OD2-CZ 3.77Å; D219-R255 IonicContact OD2-NE 3.6Å; D219-R255 PolarHBondContact OD2-NE 2.9Å; D219-R255 IonicContact OD2-NH2 2.62Å; D219-R255 PolarHBondContact OD2-NH2 2.96Å; E252-R255 WeakPolarHBondContact O-CB 3.34Å; E252-R255 PolarHBondContact O-N 2.99Å; E252-R255 IonicContact OE1-NH1 3.49Å; E252-R255 IonicContact OE2-CZ 3.76Å; E252-R255 IonicContact OE2-NE 2.7Å; E252-R255 IonicContact OE2-NH1 3.73Å; E252-R255 PolarHBondContact OE2-NH1 3.07Å; E253-R255 VanDerWaalsContact C-N 3.26Å; E253-R255 PolarHBondContact O-N 2.95Å
256Y96.3Very high95.7Very high8 Ų847.7 Ų47.73%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-97130.6-177.6-68.5-100.4000111.3Q217 R218 Q223 V246 V248 E252 E253Q217-Y256 CarbonylContact O-C 3.58Å; Q217-Y256 VanDerWaalsContact O-CA 3.26Å; Q217-Y256 WeakPolarHBondContact O-CA 3.33Å; R218-Y256 HydrophobicContact CB-CD1 4.11Å; R218-Y256 HydrophobicContact CB-CE1 3.92Å; R218-Y256 HydrophobicContact CG-CD1 4.47Å; R218-Y256 HydrophobicContact CG-CD2 4.49Å; R218-Y256 HydrophobicContact CG-CE1 4.11Å; R218-Y256 HydrophobicContact CG-CE2 4.1Å; Q223-Y256 HydrophobicContact CG-CE1 4.39Å; V246-Y256 HydrophobicContact CG1-CD1 4.03Å; V246-Y256 HydrophobicContact CG1-CE1 4.45Å; V246-Y256 HydrophobicContact CG2-CD1 4.38Å; V246-Y256 HydrophobicContact CG2-CE1 4.04Å; V248-Y256 HydrophobicContact CB-CD2 4.02Å; V248-Y256 HydrophobicContact CB-CE2 3.73Å; V248-Y256 HydrophobicContact CG1-CD1 3.7Å; V248-Y256 HydrophobicContact CG1-CD2 3.6Å; V248-Y256 HydrophobicContact CG1-CE1 3.65Å; V248-Y256 HydrophobicContact CG1-CE2 3.57Å; V248-Y256 HydrophobicContact CG1-CG 3.66Å; E252-Y256 HydrophobicContact CB-CE2 4.36Å; E252-Y256 WeakPolarHBondContact O-CD2 3.42Å; E253-Y256 PolarHBondContact O-N 3.26Å
257T97.2Very high95.7Very high10 Ų1055.3 Ų55.36%0.06130%0.301CS..EExtended strand (participates in β ladder)trans-123.7133.6175.745.70000110.7W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 3.15Å; W216-T257 VanDerWaalsContact CE3-C 3.46Å; Q217-T257 PolarHBondContact N-O 3.46Å; Q217-T257 PolarHBondContact O-N 3.48Å; T257-H259 PolarHBondContact OG1-NE2 3.23Å; T257-T270 HydrophobicContact CG2-CG2 3.87Å; T257-L271 CarbonylContact C-O 3.55Å; T257-L271 WeakPolarHBondContact CA-O 3.21Å; T257-R272 HydrophobicContact CG2-CG 3.49Å; T257-R272 VanDerWaalsContact CG2-CG 3.49Å
258C97.7Very high95.6Very high0 Ų055.8 Ų55.80%031%0.306CS..EExtended strand (participates in β ladder)trans-93.7127.7168.6174.60000109.6C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.52Å; C202-C258 WeakPolarHBondContact CB-SG 3.37Å; C202-C258 WeakPolarHBondContact SG-CB 3.27Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.38Å; T215-C258 CarbonylContact O-C 3.55Å; T215-C258 WeakPolarHBondContact O-CA 3.39Å; W216-C258 HydrophobicContact CD2-CB 4.22Å; W216-C258 HydrophobicContact CE3-CB 4.14Å; W216-C258 HydrophobicContact CH2-CB 4.08Å; W216-C258 HydrophobicContact CZ2-CB 4.12Å; W216-C258 HydrophobicContact CZ3-CB 4.06Å; C258-T270 CarbonylContact O-C 3.57Å; C258-T270 WeakPolarHBondContact O-CA 3.18Å; C258-L271 HydrophobicContact CB-CB 4.26Å; C258-L271 PolarHBondContact N-O 3.24Å; C258-L271 PolarHBondContact O-N 2.8Å
259H97.6Very high95.7Very high35 Ų3558.6 Ų58.616%0.16232%0.321CS..EExtended strand (participates in β ladder)trans-107.8127.5177.1-65.3-108.8000109.8L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.28Å; T215-H259 PolarHBondContact N-O 2.88Å; T215-H259 PolarHBondContact O-N 2.88Å; T215-H259 WeakPolarHBondContact OG1-CB 3.42Å; Q217-H259 PolarHBondContact OE1-NE2 2.91Å; T257-H259 PolarHBondContact OG1-NE2 3.23Å; H259-L269 WeakPolarHBondContact CA-O 2.83Å; H259-T270 PolarHBondContact ND1-OG1 2.71Å
260V98.2Very high95.7Very high0 Ų060.3 Ų60.30%033%0.33CS..EExtended strand (participates in β ladder)trans-120.5120.6-178.1-174.30000109.1P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.93Å; T186-V260 HydrophobicContact CG2-CB 4.48Å; T186-V260 HydrophobicContact CG2-CG1 4.25Å; T186-V260 HydrophobicContact CG2-CG2 4.08Å; I212-V260 HydrophobicContact CD1-CG1 4.02Å; I212-V260 HydrophobicContact CG1-CG1 4.35Å; T213-V260 WeakPolarHBondContact O-CA 3.42Å; L214-V260 HydrophobicContact CD1-CG1 4.08Å; L214-V260 HydrophobicContact CG-CG2 4.35Å; V260-L265 HydrophobicContact CG1-CD1 4.2Å; V260-P268 WeakPolarHBondContact O-CA 3.48Å; V260-L269 HydrophobicContact CB-CB 4.34Å; V260-L269 PolarHBondContact N-O 2.83Å; V260-L269 PolarHBondContact O-N 2.97Å; V260-L271 HydrophobicContact CG2-CD1 4.02Å
261Q98.3Very high95.9Very high101 Ų10159.3 Ų59.347%0.47232%0.32SS..EExtended strand (participates in β ladder)trans-116.6129173.7-51.3-177.517.600109.2I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.31Å; I212-Q261 WeakPolarHBondContact CG1-O 3.33Å; T213-Q261 PolarHBondContact N-O 2.78Å; T213-Q261 PolarHBondContact O-N 3.1Å; Q261-P268 HydrophobicContact CG-CB 4.1Å; Q261-P268 HydrophobicContact CG-CG 4.18Å
262H98.1Very high96Very high16 Ų1663.6 Ų63.67%0.07432%0.316CS..  trans-155146.8-179.5-173.9-98.5000108.8D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 3.43Å; D182-H262 VanDerWaalsContact O-CE1 3.28Å; P184-H262 HydrophobicContact CG-CB 4.08Å; F207-H262 AromaticContact CD2-CD2 3.86Å; F207-H262 AromaticContact CD2-NE2 3.7Å; Y208-H262 PolarHBondContact O-CE1 2.91Å; Y208-H262 VanDerWaalsContact O-CE1 3.23Å; P209-H262 PolarHBondContact O-NE2 2.92Å; E211-H262 PolarHBondContact O-CD2 2.85Å; I212-H262 HydrophobicContact CD1-CB 4.33Å; I212-H262 HydrophobicContact CG1-CB 4.08Å; H262-G264 PolarHBondContact ND1-N 2.68Å; H262-G264 PolarHBondContact O-N 3.15Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.16Å; H262-L265 WeakPolarHBondContact O-CB 3.36Å; H262-L265 PolarHBondContact O-N 2.88Å
263E95.4Very high95.8Very high144 Ų14463.1 Ų63.167%0.67331%0.312SS*.THydrogen-bonded Turntrans-60.8-32.8-178.6-175.1176.6168.100112.9T181 L265T181-E263 HydrophobicContact CG2-CG 4.07Å; E263-L265 PolarHBondContact O-N 2.98Å
264G95Very high95.2Very high17 Ų1769.9 Ų69.918%0.17534%0.343CS..THydrogen-bonded Turntrans-71.7-8.9176.800000114.3H262H262-G264 PolarHBondContact ND1-N 2.68Å; H262-G264 PolarHBondContact O-N 3.15Å
265L97.3Very high93.8Very high26 Ų2671.2 Ų71.214%0.13635%0.353CS..  trans-94.3127.6177.6-66.2170.6000110.8P183 P184 V260 H262 E263 K267 L269P183-L265 HydrophobicContact CB-CD2 3.89Å; P183-L265 HydrophobicContact CB-CG 4.46Å; P184-L265 HydrophobicContact CG-CD1 3.89Å; P184-L265 HydrophobicContact CG-CD2 4.45Å; P184-L265 HydrophobicContact CG-CG 4.23Å; V260-L265 HydrophobicContact CG1-CD1 4.2Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.16Å; H262-L265 WeakPolarHBondContact O-CB 3.36Å; H262-L265 PolarHBondContact O-N 2.88Å; E263-L265 PolarHBondContact O-N 2.98Å; L265-K267 WeakPolarHBondContact CB-O 3.46Å; L265-K267 PolarHBondContact O-N 3.43Å; L265-L269 HydrophobicContact CD1-CD1 3.94Å; L265-L269 HydrophobicContact CD1-CG 3.87Å; L265-L269 HydrophobicContact CD2-CD1 3.65Å; L265-L269 HydrophobicContact CD2-CG 3.94Å; L265-L269 HydrophobicContact CG-CD1 4.46Å; L265-L269 HydrophobicContact CG-CG 4.5Å
266P96Very high91.8Very high131 Ų13171 Ų7185%0.85137%0.367SS*.SBendtrans-65.8-25.2177.827.2-34.9000112.6
267K96.5Very high89.2Confident161 Ų16175.6 Ų75.670%0.740%0.4SS*.SBendtrans-147150.2172.9-64.1-174.6-178179.20109L265 L269L265-K267 WeakPolarHBondContact CB-O 3.46Å; L265-K267 PolarHBondContact O-N 3.43Å; K267-L269 PolarHBondContact O-N 3.04Å
268P96.9Very high86.5Confident81 Ų8182.8 Ų82.853%0.52643%0.433SS..  trans-50.8138.8171.3-28.436.6000112.1V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.48Å; Q261-P268 HydrophobicContact CG-CB 4.1Å; Q261-P268 HydrophobicContact CG-CG 4.18Å
269L96.9Very high83.7Confident60 Ų6087.8 Ų87.831%0.31447%0.465SS..EExtended strand (participates in β ladder)trans-90.2144.6174.5-65.1177.1000110.1T186 H259 V260 L265 K267T186-L269 HydrophobicContact CG2-CD1 4.29Å; H259-L269 WeakPolarHBondContact CA-O 2.83Å; V260-L269 HydrophobicContact CB-CB 4.34Å; V260-L269 PolarHBondContact N-O 2.83Å; V260-L269 PolarHBondContact O-N 2.97Å; L265-L269 HydrophobicContact CD1-CD1 3.94Å; L265-L269 HydrophobicContact CD1-CG 3.87Å; L265-L269 HydrophobicContact CD2-CD1 3.65Å; L265-L269 HydrophobicContact CD2-CG 3.94Å; L265-L269 HydrophobicContact CG-CD1 4.46Å; L265-L269 HydrophobicContact CG-CG 4.5Å; K267-L269 PolarHBondContact O-N 3.04Å
270T96.6Very high81.4Confident80 Ų8092.5 Ų92.549%0.49150%0.497SS..EExtended strand (participates in β ladder)trans-124.3116.5171.8-56.10000108.2T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.87Å; C258-T270 CarbonylContact O-C 3.57Å; C258-T270 WeakPolarHBondContact O-CA 3.18Å; H259-T270 PolarHBondContact ND1-OG1 2.71Å
271L94.8Very high79.2Confident36 Ų3697.4 Ų97.419%0.18852%0.522CS..EExtended strand (participates in β ladder)trans-108.2138-176.8-60.1157.4000108.9T186 M188 T257 C258 V260T186-L271 HydrophobicContact CG2-CD1 4.06Å; M188-L271 HydrophobicContact CG-CB 4.36Å; M188-L271 HydrophobicContact SD-CB 3.83Å; T257-L271 CarbonylContact C-O 3.55Å; T257-L271 WeakPolarHBondContact CA-O 3.21Å; C258-L271 HydrophobicContact CB-CB 4.26Å; C258-L271 PolarHBondContact N-O 3.24Å; C258-L271 PolarHBondContact O-N 2.8Å; V260-L271 HydrophobicContact CG2-CD1 4.02Å
272R92.8Very high77.2Confident156 Ų15696.7 Ų96.759%0.58953%0.526SS*.EExtended strand (participates in β ladder)trans-118.8153.7169.2-73-176.7178156.40.1108.8M188 T257 E274M188-R272 VanDerWaalsContact SD-O 3.4Å; T257-R272 HydrophobicContact CG2-CG 3.49Å; T257-R272 VanDerWaalsContact CG2-CG 3.49Å; R272-E274 PolarHBondContact O-N 2.72Å; R272-E274 VanDerWaalsContact O-N 3.08Å
273W89.7Confident75.3Confident44 Ų44101.4 Ų101.417%0.16755%0.551CS.*  trans-64.5112.6171177.7-123.3000108.5M188 H190 L200 E253 Q254M188-W273 HydrophobicContact CB-CE3 3.87Å; M188-W273 HydrophobicContact CB-CZ3 4.27Å; M188-W273 HydrophobicContact CE-CB 3.62Å; M188-W273 HydrophobicContact CE-CE3 4.38Å; M188-W273 VanDerWaalsContact CE-N 3.33Å; M188-W273 PolarHBondContact SD-N 2.87Å; H190-W273 HydrophobicContact CB-CD2 3.94Å; H190-W273 HydrophobicContact CB-CE3 4.05Å; H190-W273 HydrophobicContact CB-CH2 3.42Å; H190-W273 VanDerWaalsContact CB-CH2 3.42Å; H190-W273 HydrophobicContact CB-CZ2 3.25Å; H190-W273 HydrophobicContact CB-CZ3 3.81Å; H190-W273 AromaticContact CG-CE2 3.95Å; H190-W273 AromaticContact CG-CZ2 3.89Å; L200-W273 HydrophobicContact CD1-CB 4.36Å; L200-W273 HydrophobicContact CD2-CB 3.99Å; L200-W273 HydrophobicContact CD2-CD2 4.14Å; L200-W273 HydrophobicContact CD2-CE3 4.48Å; L200-W273 HydrophobicContact CD2-CG 3.89Å; E253-W273 HydrophobicContact CB-CB 4.27Å; E253-W273 HydrophobicContact CB-CG 4.37Å; Q254-W273 PolarHBondContact NE2-O 3.08Å
274E80.2Confident73.5Confident162 Ų162100.3 Ų100.376%0.75755%0.554SS**  trans-86.1122166.8-70.5-177.2174.400107.3R272 S276R272-E274 PolarHBondContact O-N 2.72Å; R272-E274 VanDerWaalsContact O-N 3.08Å; E274-S276 VanDerWaalsContact C-N 3.33Å; E274-S276 PolarHBondContact O-N 3.44Å
275L63.9Low72Confident127 Ų127101.6 Ų101.667%0.66557%0.567SS**  trans-57.6107.9162.7-107.985.2000105.3S277L275-S277 PolarHBondContact O-N 3.23Å
276S51.5Low70.7Confident96 Ų96105 Ų10567%0.67158%0.584SS**  trans-5698.3168.6-179.10000106.6E274 Q278E274-S276 VanDerWaalsContact C-N 3.33Å; E274-S276 PolarHBondContact O-N 3.44Å; S276-Q278 PolarHBondContact O-N 3.16Å
277S42.5Very low69.4Low105 Ų105103.3 Ų103.373%0.73457%0.567SS**  trans-66.381.3158.955.80000104.6L275 P279L275-S277 PolarHBondContact O-N 3.23Å; S277-P279 WeakPolarHBondContact O-CD 3.27Å
278Q40.6Very low68.2Low161 Ų16198 Ų9875%0.75255%0.553SS**  trans-49.8116.3147.1-85-173.7-17.400103.9S276 T280S276-Q278 PolarHBondContact O-N 3.16Å; Q278-T280 PolarHBondContact O-N 3.19Å
279P39.6Very low67.2Low104 Ų10495.6 Ų95.668%0.67554%0.543SS*.  trans-60.6107.1166.624.9-27.8000103.7S277 I281S277-P279 WeakPolarHBondContact O-CD 3.27Å; P279-I281 HydrophobicContact CB-CG1 4.38Å; P279-I281 PolarHBondContact O-N 2.78Å
280T49.5Very low66.5Low134 Ų13498.1 Ų98.182%0.82256%0.556SS**  trans-59.679.9150.814.50000104.6Q278 P282Q278-T280 PolarHBondContact O-N 3.19Å; T280-P282 WeakPolarHBondContact O-CD 3.49Å
281I52.1Low65.7Low103 Ų10398.9 Ų98.953%0.52856%0.561SS.*  trans-47.5120.3156.6-62.4174.9000102.4P279 I283 I286P279-I281 HydrophobicContact CB-CG1 4.38Å; P279-I281 PolarHBondContact O-N 2.78Å; I281-I283 WeakPolarHBondContact O-CG1 3.44Å; I281-I283 PolarHBondContact O-N 2.92Å; I281-I286 HydrophobicContact CG2-CD1 3.74Å
282P54.6Low64.9Low87 Ų87102.8 Ų102.857%0.56558%0.581SS**  trans-71.982.8-177.229-32.1000106.2T280 V284 G285 I286T280-P282 WeakPolarHBondContact O-CD 3.49Å; P282-V284 PolarHBondContact O-N 3.09Å; P282-V284 VanDerWaalsContact O-N 3.09Å; P282-G285 WeakPolarHBondContact O-CA 3.08Å; P282-G285 PolarHBondContact O-N 3.45Å; P282-I286 PolarHBondContact O-N 3.14Å
283I59.4Low64.3Low114 Ų114100.5 Ų100.559%0.58558%0.58SS**Hα-helixtrans-53.7-32.9178.2-65.6175000108.4I281 G285 I286 I287I281-I283 WeakPolarHBondContact O-CG1 3.44Å; I281-I283 PolarHBondContact O-N 2.92Å; I283-G285 PolarHBondContact O-N 2.91Å; I283-I286 PolarHBondContact O-N 2.9Å; I283-I287 HydrophobicContact CG2-CD1 3.7Å; I283-I287 HydrophobicContact CG2-CG1 4.32Å; I283-I287 WeakPolarHBondContact O-CB 3.34Å; I283-I287 VanDerWaalsContact O-CG1 3.23Å; I283-I287 WeakPolarHBondContact O-CG1 3.39Å; I283-I287 PolarHBondContact O-N 3.27Å
284V57.1Low63.7Low121 Ų121100 Ų10073%0.73359%0.588SS**Hα-helixtrans-61.4-40.9173.9-174.10000112.9P282 A288P282-V284 PolarHBondContact O-N 3.09Å; P282-V284 VanDerWaalsContact O-N 3.09Å; V284-A288 VanDerWaalsContact O-CB 3.32Å; V284-A288 WeakPolarHBondContact O-CB 3.45Å; V284-A288 PolarHBondContact O-N 3.26Å
285G63.5Low63.6Low44 Ų4495.1 Ų95.145%0.45458%0.576SS.*Hα-helixtrans-70.3-37179.500000112.9P282 I283 G289P282-G285 WeakPolarHBondContact O-CA 3.08Å; P282-G285 PolarHBondContact O-N 3.45Å; I283-G285 PolarHBondContact O-N 2.91Å; G285-G289 PolarHBondContact O-N 3.46Å
286I69.3Low64.5Low97 Ų9793.9 Ų93.950%0.49757%0.573SS.*Hα-helixtrans-69.8-43.2175.7-61.6174.7000110.4I281 P282 I283 G289 L290I281-I286 HydrophobicContact CG2-CD1 3.74Å; P282-I286 PolarHBondContact O-N 3.14Å; I283-I286 PolarHBondContact O-N 2.9Å; I286-G289 PolarHBondContact O-N 3.42Å; I286-L290 HydrophobicContact CG2-CD1 3.97Å; I286-L290 HydrophobicContact CG2-CG 4.45Å; I286-L290 WeakPolarHBondContact O-CB 3.29Å; I286-L290 WeakPolarHBondContact O-CG 3.4Å; I286-L290 PolarHBondContact O-N 3.46Å
287I70.3Confident65.7Low97 Ų9794.4 Ų94.450%0.49757%0.567SS.*Hα-helixtrans-63.2-46.4176.4-68.1170.4000110.7I283 G289 L290 V291I283-I287 HydrophobicContact CG2-CD1 3.7Å; I283-I287 HydrophobicContact CG2-CG1 4.32Å; I283-I287 WeakPolarHBondContact O-CB 3.34Å; I283-I287 VanDerWaalsContact O-CG1 3.23Å; I283-I287 WeakPolarHBondContact O-CG1 3.39Å; I283-I287 PolarHBondContact O-N 3.27Å; I287-G289 VanDerWaalsContact C-N 3.33Å; I287-G289 PolarHBondContact O-N 3.25Å; I287-L290 PolarHBondContact O-N 3.41Å; I287-V291 HydrophobicContact CG2-CG2 4.3Å; I287-V291 WeakPolarHBondContact O-CB 3.43Å; I287-V291 VanDerWaalsContact O-CG2 3.27Å; I287-V291 WeakPolarHBondContact O-CG2 3.46Å; I287-V291 PolarHBondContact O-N 2.93Å
288A71.1Confident67.2Low48 Ų4893.6 Ų93.640%0.39756%0.558SS.*Hα-helixtrans-60.8-42.5177.300000111.9V284 V291 L292V284-A288 VanDerWaalsContact O-CB 3.32Å; V284-A288 WeakPolarHBondContact O-CB 3.45Å; V284-A288 PolarHBondContact O-N 3.26Å; A288-V291 PolarHBondContact O-N 2.89Å; A288-L292 WeakPolarHBondContact O-CB 3.48Å; A288-L292 VanDerWaalsContact O-CG 3.32Å; A288-L292 WeakPolarHBondContact O-CG 3.02Å; A288-L292 PolarHBondContact O-N 3.45Å
289G75.9Confident68.9Low31 Ų3188 Ų8832%0.3254%0.543SS..Hα-helixtrans-62.2-43.8175.700000113.2G285 I286 I287 L292 L293G285-G289 PolarHBondContact O-N 3.46Å; I286-G289 PolarHBondContact O-N 3.42Å; I287-G289 VanDerWaalsContact C-N 3.33Å; I287-G289 PolarHBondContact O-N 3.25Å; G289-L292 PolarHBondContact O-N 3Å; G289-L293 WeakPolarHBondContact O-CB 3.34Å; G289-L293 WeakPolarHBondContact O-CG 3.43Å; G289-L293 PolarHBondContact O-N 3.22Å
290L82.2Confident70.7Confident113 Ų11385.8 Ų85.859%0.59253%0.534SS*.Hα-helixtrans-67.6-38.6177.8-73.6171.8000112.6I286 I287 G294I286-L290 HydrophobicContact CG2-CD1 3.97Å; I286-L290 HydrophobicContact CG2-CG 4.45Å; I286-L290 WeakPolarHBondContact O-CB 3.29Å; I286-L290 WeakPolarHBondContact O-CG 3.4Å; I286-L290 PolarHBondContact O-N 3.46Å; I287-L290 PolarHBondContact O-N 3.41Å; L290-G294 PolarHBondContact O-N 3.28Å
291V80.2Confident72.1Confident97 Ų9783.3 Ų83.359%0.58852%0.519SS*.Hα-helixtrans-65.7-42.8176170.90000110.9I287 A288 G294 A295I287-V291 HydrophobicContact CG2-CG2 4.3Å; I287-V291 WeakPolarHBondContact O-CB 3.43Å; I287-V291 VanDerWaalsContact O-CG2 3.27Å; I287-V291 WeakPolarHBondContact O-CG2 3.46Å; I287-V291 PolarHBondContact O-N 2.93Å; A288-V291 PolarHBondContact O-N 2.89Å; V291-G294 PolarHBondContact O-N 3.29Å; V291-A295 WeakPolarHBondContact O-CB 3.45Å; V291-A295 PolarHBondContact O-N 2.95Å
292L78.1Confident73.2Confident118 Ų11882.4 Ų82.462%0.61852%0.518SS*.Hα-helixtrans-64.5-45.8176.4-74.7168.9000111.9A288 G289 G294 A295 V296A288-L292 WeakPolarHBondContact O-CB 3.48Å; A288-L292 VanDerWaalsContact O-CG 3.32Å; A288-L292 WeakPolarHBondContact O-CG 3.02Å; A288-L292 PolarHBondContact O-N 3.45Å; G289-L292 PolarHBondContact O-N 3Å; L292-G294 VanDerWaalsContact C-N 3.33Å; L292-G294 PolarHBondContact O-N 3.15Å; L292-A295 PolarHBondContact O-N 3.14Å; L292-V296 VanDerWaalsContact O-CG2 3.32Å; L292-V296 WeakPolarHBondContact O-CG2 3.35Å; L292-V296 PolarHBondContact O-N 3.23Å
293L78.4Confident74.1Confident107 Ų10780.9 Ų80.956%0.5651%0.513SS*.Hα-helixtrans-60.4-44175-84.1161.1000111.6G289 V296 I297G289-L293 WeakPolarHBondContact O-CB 3.34Å; G289-L293 WeakPolarHBondContact O-CG 3.43Å; G289-L293 PolarHBondContact O-N 3.22Å; L293-V296 PolarHBondContact O-N 3.23Å; L293-I297 VanDerWaalsContact O-CG1 3.27Å; L293-I297 WeakPolarHBondContact O-CG1 3.31Å; L293-I297 PolarHBondContact O-N 3.24Å
294G78.8Confident74.8Confident33 Ų3378.2 Ų78.234%0.3451%0.508SS..Hα-helixtrans-54.3-55.2173.600000111.2L290 V291 L292 V296 I297 T298L290-G294 PolarHBondContact O-N 3.28Å; V291-G294 PolarHBondContact O-N 3.29Å; L292-G294 VanDerWaalsContact C-N 3.33Å; L292-G294 PolarHBondContact O-N 3.15Å; G294-V296 VanDerWaalsContact C-N 3.34Å; G294-V296 PolarHBondContact O-N 3.36Å; G294-I297 PolarHBondContact O-N 2.99Å; G294-I297 VanDerWaalsContact O-N 3.16Å; G294-T298 PolarHBondContact O-N 3.5Å; G294-T298 PolarHBondContact O-OG1 3Å
295A77.9Confident75.6Confident60 Ų6076.2 Ų76.250%0.49650%0.496SS..Hα-helixtrans-59.8-39.2-178.800000113.5V291 L292 G299V291-A295 WeakPolarHBondContact O-CB 3.45Å; V291-A295 PolarHBondContact O-N 2.95Å; L292-A295 PolarHBondContact O-N 3.14Å; A295-G299 PolarHBondContact O-N 2.9Å
296V81.1Confident76Confident101 Ų10180.3 Ų80.361%0.61250%0.504SS*.Hα-helixtrans-65-43.5176.4171.70000110.9L292 L293 G294 G299 A300L292-V296 VanDerWaalsContact O-CG2 3.32Å; L292-V296 WeakPolarHBondContact O-CG2 3.35Å; L292-V296 PolarHBondContact O-N 3.23Å; L293-V296 PolarHBondContact O-N 3.23Å; G294-V296 VanDerWaalsContact C-N 3.34Å; G294-V296 PolarHBondContact O-N 3.36Å; V296-G299 PolarHBondContact O-N 3.09Å; V296-A300 WeakPolarHBondContact O-CB 3.25Å; V296-A300 PolarHBondContact O-N 3.1Å
297I77.9Confident76.1Confident107 Ų10785.5 Ų85.555%0.54952%0.518SS..Hα-helixtrans-64.7-46.1178.3-66.6168.9000110.2L293 G294 G299 A300 V301L293-I297 VanDerWaalsContact O-CG1 3.27Å; L293-I297 WeakPolarHBondContact O-CG1 3.31Å; L293-I297 PolarHBondContact O-N 3.24Å; G294-I297 PolarHBondContact O-N 2.99Å; G294-I297 VanDerWaalsContact O-N 3.16Å; I297-G299 VanDerWaalsContact C-N 3.33Å; I297-G299 PolarHBondContact O-N 3.23Å; I297-A300 PolarHBondContact O-N 3.22Å; I297-V301 HydrophobicContact CG2-CG2 4.39Å; I297-V301 VanDerWaalsContact O-CG2 3.29Å; I297-V301 WeakPolarHBondContact O-CG2 3.42Å; I297-V301 PolarHBondContact O-N 2.84Å
298T74.9Confident75.9Confident89 Ų8990.2 Ų90.255%0.54653%0.529SS..Hα-helixtrans-62-42.6177.2-110000111.3G294 V301 V302G294-T298 PolarHBondContact O-N 3.5Å; G294-T298 PolarHBondContact O-OG1 3Å; T298-V301 PolarHBondContact O-N 2.69Å; T298-V302 VanDerWaalsContact O-CG2 3.27Å; T298-V302 WeakPolarHBondContact O-CG2 3.36Å; T298-V302 PolarHBondContact O-N 3.44Å
299G76.3Confident75.4Confident42 Ų4297.2 Ų97.243%0.43355%0.546SS..Hα-helixtrans-60.4-45.217600000112.8A295 V296 I297 V302 A303A295-G299 PolarHBondContact O-N 2.9Å; V296-G299 PolarHBondContact O-N 3.09Å; I297-G299 VanDerWaalsContact C-N 3.33Å; I297-G299 PolarHBondContact O-N 3.23Å; G299-V302 PolarHBondContact O-N 2.84Å; G299-A303 WeakPolarHBondContact O-CB 3.35Å; G299-A303 PolarHBondContact O-N 2.82Å
300A76.8Confident74.2Confident59 Ų59103.9 Ų103.949%0.48857%0.566SS.*Hα-helixtrans-64.5-41.1177.600000112.4V296 I297 A303 A304V296-A300 WeakPolarHBondContact O-CB 3.25Å; V296-A300 PolarHBondContact O-N 3.1Å; I297-A300 PolarHBondContact O-N 3.22Å; A300-A303 PolarHBondContact O-N 3.31Å; A300-A304 WeakPolarHBondContact O-CB 3.4Å; A300-A304 PolarHBondContact O-N 2.82Å
301V78.4Confident72.8Confident82 Ų82101.8 Ų101.850%0.49756%0.56SS.*Hα-helixtrans-65.2-44.9176.8172.50000111I297 T298 A303 A304 V305I297-V301 HydrophobicContact CG2-CG2 4.39Å; I297-V301 VanDerWaalsContact O-CG2 3.29Å; I297-V301 WeakPolarHBondContact O-CG2 3.42Å; I297-V301 PolarHBondContact O-N 2.84Å; T298-V301 PolarHBondContact O-N 2.69Å; V301-A303 PolarHBondContact O-N 3.41Å; V301-A304 PolarHBondContact O-N 2.84Å; V301-V305 HydrophobicContact CG1-CG2 4.37Å; V301-V305 WeakPolarHBondContact O-CB 3.31Å; V301-V305 VanDerWaalsContact O-CG2 3.29Å; V301-V305 WeakPolarHBondContact O-CG2 3.18Å; V301-V305 PolarHBondContact O-N 3.23Å
302V76.3Confident71.4Confident83 Ų83102 Ų10250%0.50357%0.566SS.*Hα-helixtrans-61.9-44.7177172.10000110.7T298 G299 A304 V305 M306T298-V302 VanDerWaalsContact O-CG2 3.27Å; T298-V302 WeakPolarHBondContact O-CG2 3.36Å; T298-V302 PolarHBondContact O-N 3.44Å; G299-V302 PolarHBondContact O-N 2.84Å; V302-A304 PolarHBondContact O-N 3.22Å; V302-V305 PolarHBondContact O-N 2.81Å; V302-M306 HydrophobicContact CG1-SD 4.2Å; V302-M306 WeakPolarHBondContact O-CB 2.9Å; V302-M306 WeakPolarHBondContact O-CG 3.49Å; V302-M306 PolarHBondContact O-N 3.13Å
303A72.6Confident69.9Low56 Ų56102.6 Ų102.646%0.46358%0.575SS.*Hα-helixtrans-61.1-43.6176.200000112.2G299 A300 V301 M306 W307G299-A303 WeakPolarHBondContact O-CB 3.35Å; G299-A303 PolarHBondContact O-N 2.82Å; A300-A303 PolarHBondContact O-N 3.31Å; V301-A303 PolarHBondContact O-N 3.41Å; A303-M306 PolarHBondContact O-N 3.41Å; A303-W307 WeakPolarHBondContact O-CB 3.41Å; A303-W307 PolarHBondContact O-N 3.06Å
304A74.1Confident68.3Low58 Ų58105.6 Ų105.648%0.47959%0.585SS.*Hα-helixtrans-65.4-39.2177.200000112.7A300 V301 V302 W307 R308A300-A304 WeakPolarHBondContact O-CB 3.4Å; A300-A304 PolarHBondContact O-N 2.82Å; V301-A304 PolarHBondContact O-N 2.84Å; V302-A304 PolarHBondContact O-N 3.22Å; A304-W307 PolarHBondContact O-N 3.24Å; A304-R308 PolarHBondContact O-N 2.94Å
305V73.2Confident66.5Low79 Ų79113.4 Ų113.448%0.47961%0.61SS.*Hα-helixtrans-67.2-41.5175.7170.30000111.1V301 V302 W307 R308 R309V301-V305 HydrophobicContact CG1-CG2 4.37Å; V301-V305 WeakPolarHBondContact O-CB 3.31Å; V301-V305 VanDerWaalsContact O-CG2 3.29Å; V301-V305 WeakPolarHBondContact O-CG2 3.18Å; V301-V305 PolarHBondContact O-N 3.23Å; V302-V305 PolarHBondContact O-N 2.81Å; V305-W307 VanDerWaalsContact C-N 3.34Å; V305-R308 PolarHBondContact O-N 3.38Å; V305-R309 PolarHBondContact O-N 2.89Å
306M72.4Confident64.5Low129 Ų129120.3 Ų120.364%0.63563%0.632SS**Hα-helixtrans-63.6-40174.3-73.9-176.666.900111.8V302 A303 R309 K310V302-M306 HydrophobicContact CG1-SD 4.2Å; V302-M306 WeakPolarHBondContact O-CB 2.9Å; V302-M306 WeakPolarHBondContact O-CG 3.49Å; V302-M306 PolarHBondContact O-N 3.13Å; A303-M306 PolarHBondContact O-N 3.41Å; M306-R309 PolarHBondContact O-N 3.02Å; M306-K310 PolarHBondContact O-N 2.98Å
307W71.4Confident62.2Low207 Ų207118.8 Ų118.878%0.78464%0.637SS**Hα-helixtrans-63.1-44.5174.7-157.5-55.1000111.5A303 A304 V305 R309 K310 S311A303-W307 WeakPolarHBondContact O-CB 3.41Å; A303-W307 PolarHBondContact O-N 3.06Å; A304-W307 PolarHBondContact O-N 3.24Å; V305-W307 VanDerWaalsContact C-N 3.34Å; W307-R309 PolarHBondContact O-N 3.14Å; W307-K310 PolarHBondContact O-N 3.46Å; W307-S311 PolarHBondContact O-N 2.72Å; W307-S311 PolarHBondContact O-OG 3.03Å
308R66.4Low60.1Low196 Ų196120 Ų12074%0.7465%0.649SS**Hα-helixtrans-61.3-43.8175.3-92-172175.91780.5112.4A304 V305 K310 S311 S312A304-R308 PolarHBondContact O-N 2.94Å; V305-R308 PolarHBondContact O-N 3.38Å; R308-K310 VanDerWaalsContact C-N 3.3Å; R308-K310 PolarHBondContact O-N 3.37Å; R308-S311 WeakPolarHBondContact CA-OG 3.43Å; R308-S311 PolarHBondContact O-N 2.94Å; R308-S311 PolarHBondContact O-OG 3.19Å; R308-S312 PolarHBondContact O-N 3.08Å; R308-S312 VanDerWaalsContact O-N 3.13Å; R308-S312 PolarHBondContact O-OG 3.37Å
309R59.3Low58.1Low195 Ų195121.1 Ų121.174%0.73666%0.656SS**Hα-helixtrans-61.5-37.5175.4-86-171.6165.9-169.2-3.1112.2V305 M306 W307V305-R309 PolarHBondContact O-N 2.89Å; M306-R309 PolarHBondContact O-N 3.02Å; W307-R309 PolarHBondContact O-N 3.14Å
310K52Low56Low171 Ų171126 Ų12674%0.74367%0.672SS**Hα-helixtrans-69.3-37176.4-163.4173.7-179.4-179.20112.4M306 W307 R308 S312M306-K310 PolarHBondContact O-N 2.98Å; W307-K310 PolarHBondContact O-N 3.46Å; R308-K310 VanDerWaalsContact C-N 3.3Å; R308-K310 PolarHBondContact O-N 3.37Å; K310-S312 VanDerWaalsContact C-N 3.34Å; K310-S312 PolarHBondContact O-N 3.18Å
311S53.3Low53.9Low68 Ų68133.9 Ų133.948%0.47669%0.689SS.*Hα-helixtrans-74.8-17.3177.554.90000115.1W307 R308W307-S311 PolarHBondContact O-N 2.72Å; W307-S311 PolarHBondContact O-OG 3.03Å; R308-S311 WeakPolarHBondContact CA-OG 3.43Å; R308-S311 PolarHBondContact O-N 2.94Å; R308-S311 PolarHBondContact O-OG 3.19Å
312S50.4Low51.8Low101 Ų101136.8 Ų136.871%0.70670%0.701SS**THydrogen-bonded Turntrans-88.4-7.7177.9-64.60000114R308 K310R308-S312 PolarHBondContact O-N 3.08Å; R308-S312 VanDerWaalsContact O-N 3.13Å; R308-S312 PolarHBondContact O-OG 3.37Å; K310-S312 VanDerWaalsContact C-N 3.34Å; K310-S312 PolarHBondContact O-N 3.18Å
313V45.9Very low49.6Very low132 Ų132142.5 Ų142.580%0.872%0.722SS**SBendtrans-88.4-10.2177.41760000112.4
314E45.1Very low47.8Very low169 Ų169143.7 Ų143.779%0.7973%0.731SS**SBendtrans-114.516.2-168.9-150.8172.1177.100115.7
315K39.9Very low45.9Very low198 Ų198148 Ų14886%0.86175%0.752SS**  trans-143.974.4175.2-68.2-168.1179.3-1790114
316E37.3Very low44.2Very low204 Ų204150.1 Ų150.195%0.95377%0.765SS**  trans-107113.2146.3-82.2-167152.200108.4
317G32Very low42.5Very low69 Ų69149.4 Ų149.471%0.71177%0.768SS**  trans166.598.217600000115.4
318V34.8Very low41.3Very low134 Ų134145.9 Ų145.981%0.81277%0.771SS**  trans84.394.1146.6-1650000120.6
319T31.7Very low40Very low112 Ų112148 Ų14869%0.68778%0.779SS**  55121.3110.9-35.30000124.6
320L33.3Very low38.9Very low145 Ų145142.9 Ų142.976%0.75978%0.779SS**  trans58.3147.8145.8-67.3164.4000119.3
321R31.6Very low38.3Very low224 Ų224142.4 Ų142.485%0.84578%0.784SS**  cis-165.8162.730.7-144173.9-165.8-171.23.8111.7
322L33.9Very low37.3Very low143 Ų143147.6 Ų147.675%0.74980%0.802SS**  trans-50.9154.9-179.8-71.385.4000117.2
323Q31.8Very low36.5Very low202 Ų202148.3 Ų148.394%0.94481%0.806SS**  -149.1137.2125.1-111.1175.9-800112
324A34.5Very low36.6Very low81 Ų81147.3 Ų147.367%0.66980%0.802SS**  trans-103.1147-176.900000110.8
325V34.4Very low36.2Very low150 Ų150144.1 Ų144.191%0.90980%0.798SS**  trans-144.5139.9152.7-178.90000109.5
326T36.5Very low36.2Very low123 Ų123142.6 Ų142.676%0.75579%0.794SS**  trans-100.4152.8-163.8-46.10000112.7
327V38Very low36.4Very low114 Ų114139.7 Ų139.769%0.69179%0.785SS**  trans-28.7165.5167.6-148.60000117.9
328P45Very low36.8Very low133 Ų133142.3 Ų142.386%0.86479%0.787SS**  -142.7158.892.930.8-10.8000117.4
329R40Very low37Very low240 Ų240145.1 Ų145.191%0.90679%0.788SS**  trans-86.3146.7179.4-131.6176.5178.9170.9-1.7110
330A35.8Very low37.3Very low87 Ų87149.7 Ų149.772%0.71982%0.822SS**  trans-155.8126.8155.900000114
331L38.7Very low37.5Very low162 Ų162149.9 Ų149.985%0.84883%0.825SS**  trans65.2104.8146.2-65.4150.9000118.5
332M32.4Very low37.8Very low177 Ų177146 Ų14687%0.87282%0.824SS**  60.9121.367.4-99.8-176.8172.700116.8
333C33.7Very low38Very low116 Ų116146.2 Ų146.278%0.78483%0.828SS**  trans102.7148141.4-82.70000120.6
334P48.8Very low38.3Very low111 Ų111142.9 Ų142.972%0.72182%0.821SS**  trans-120.9-166-140.438.4-20.2000112
335S36.4Very low38.6Very low101 Ų101146.8 Ų146.871%0.70683%0.831SS**  trans108.8124.3147.6780000118.1
336Q40.5Very low38.9Very low166 Ų166146.5 Ų146.578%0.77683%0.826SS**  trans93.7111.2132.8-80.3-169.6-7.400121.8
337L40.6Very low39Very low143 Ų143148.2 Ų148.275%0.74983%0.831SS**  67.2117.2115.6-100.6144.9000118.2
338V39.8Very low39.1Very low125 Ų125150.8 Ų150.876%0.75884%0.842SS**  166.5141.899.4168.60000110
339K40Very low38.6Very low192 Ų192152.3 Ų152.384%0.83584%0.84SS**  trans-43.4146.8168.9-64.3162.7171176.20115.9
340C36.8Very low38.5Very low208 Ų208144.4 Ų144.4100%1.40583%0.834SS**  -1480117-94.90000107.9

Retrieved 340 of 340 residues in 1584.8 ms (Link to these results)

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