A0A060VCY9_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VCY9, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 340 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1S93.9Very high98.1Very high110 Ų11038.8 Ų38.877%0.76921%0.213SC*.  0165.1038.30000107.4V102S1-V102 WeakPolarHBondContact CA-O 3.49Å; S1-V102 VanDerWaalsContact CB-O 3.29Å; S1-V102 WeakPolarHBondContact CB-O 3.41Å
2H97.5Very high98.1Very high43 Ų4337 Ų3720%0.19921%0.205CC..EExtended strand (participates in β ladder)trans-137.2158.2178.1-65.8-75.7000110.8D28 D101 V102 L167 L171H2-D28 WeakPolarHBondContact CA-OD1 3.38Å; H2-D28 IonicContact CE1-OD2 3.91Å; H2-D28 IonicContact CG-OD2 2.59Å; H2-D28 IonicContact ND1-OD1 3.26Å; H2-D28 IonicContact ND1-OD2 3.12Å; H2-D28 PolarHBondContact ND1-OD2 3.49Å; H2-D101 CarbonylContact O-C 3.53Å; H2-D101 WeakPolarHBondContact O-CA 3.44Å; H2-V102 HydrophobicContact CB-CG2 4.02Å; H2-V102 PolarHBondContact N-O 2.84Å; H2-V102 PolarHBondContact O-N 3.31Å; H2-L167 HydrophobicContact CB-CD1 4.41Å; H2-L171 HydrophobicContact CB-CD1 3.67Å; H2-L171 HydrophobicContact CB-CD2 4Å; H2-L171 HydrophobicContact CB-CG 4.41Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.42Å
3S98.3Very high97.9Very high23 Ų2339.2 Ų39.216%0.16121%0.208CC..EExtended strand (participates in β ladder)trans-135.3151.4179.266.70000111.7V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.57Å; S3-V27 WeakPolarHBondContact O-CA 3.44Å; S3-D28 PolarHBondContact N-OD1 3.3Å; S3-D28 PolarHBondContact O-N 3.39Å; S3-D28 PolarHBondContact OG-OD1 2.9Å; S3-C100 WeakPolarHBondContact CA-O 3.42Å; S3-D101 WeakPolarHBondContact CB-OD1 3.34Å
4M98.7Very high97.5Very high0 Ų040.1 Ų40.10%022%0.218CC..EExtended strand (participates in β ladder)trans-124.3123.4166.4-175.4172.963.300108.4Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.07Å; M4-Y6 HydrophobicContact CG-CE2 4.08Å; M4-Y6 HydrophobicContact SD-CE2 3.99Å; M4-Y26 CarbonylContact C-O 3.59Å; M4-Y26 WeakPolarHBondContact CA-O 3.43Å; M4-V27 HydrophobicContact CG-CG2 4.33Å; M4-F32 HydrophobicContact CG-CE1 4.36Å; M4-F32 HydrophobicContact CG-CZ 4.46Å; M4-F32 HydrophobicContact SD-CZ 4.24Å; M4-G99 CarbonylContact O-C 3.58Å; M4-G99 WeakPolarHBondContact O-CA 3.27Å; M4-C100 PolarHBondContact N-O 3.5Å; M4-C100 PolarHBondContact O-N 2.82Å; M4-C163 HydrophobicContact CE-CB 4.17Å; M4-C163 VanDerWaalsContact CE-O 3.27Å; M4-C163 WeakPolarHBondContact CE-O 3.42Å; M4-C163 WeakPolarHBondContact CE-SG 3.39Å; M4-W166 HydrophobicContact CE-CB 4.02Å; M4-W166 HydrophobicContact SD-CB 4.34Å; M4-L167 HydrophobicContact CB-CB 4.09Å; M4-L167 HydrophobicContact CB-CD1 4.03Å; M4-L167 HydrophobicContact CB-CD2 4.13Å; M4-L167 HydrophobicContact CB-CG 4.3Å; M4-Y170 HydrophobicContact SD-CD2 3.7Å; M4-Y170 HydrophobicContact SD-CE2 3.52Å; M4-Y170 VanDerWaalsContact SD-CE2 3.52Å
5R98.7Very high97Very high49 Ų4943.5 Ų43.519%0.18527%0.265CS..EExtended strand (participates in β ladder)trans-130.3136.4-177.1-56.3-62178.178.26.2110.8F7 G25 Y26 Y98 D101 Y112R5-F7 HydrophobicContact CB-CD2 4.47Å; R5-F7 HydrophobicContact CB-CE2 3.64Å; R5-F7 HydrophobicContact CB-CZ 3.98Å; R5-G25 CarbonylContact O-C 3.58Å; R5-G25 WeakPolarHBondContact O-CA 3.28Å; R5-Y26 PolarHBondContact N-O 3.49Å; R5-Y26 PolarHBondContact O-N 3.44Å; R5-Y98 WeakPolarHBondContact CA-O 3.3Å; R5-D101 IonicContact CZ-OD1 3.64Å; R5-D101 IonicContact NE-OD1 3.33Å; R5-D101 PolarHBondContact NE-OD1 3.07Å; R5-D101 VanDerWaalsContact NH2-CG 3.32Å; R5-D101 IonicContact NH2-OD1 2.82Å; R5-D101 PolarHBondContact NH2-OD1 3.4Å; R5-D101 IonicContact NH2-OD2 3.69Å; R5-D101 PolarHBondContact NH2-OD2 2.9Å; R5-D101 VanDerWaalsContact NH2-OD2 3.12Å; R5-Y112 VanDerWaalsContact CZ-CE2 3.46Å; R5-Y112 VanDerWaalsContact NH2-CZ 3.25Å; R5-Y112 PolarHBondContact NH2-OH 2.87Å
6Y98.8Very high96.7Very high11 Ų1154.3 Ų54.34%0.04330%0.3CS..EExtended strand (participates in β ladder)trans-113.9138.9170.4-68.9-87.6000109.5M4 Y8 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.07Å; M4-Y6 HydrophobicContact CG-CE2 4.08Å; M4-Y6 HydrophobicContact SD-CE2 3.99Å; Y6-Y8 HydrophobicContact CD1-CE1 4.4Å; Y6-V24 CarbonylContact C-O 3.56Å; Y6-V24 WeakPolarHBondContact CA-O 3.29Å; Y6-F32 AromaticContact CE1-CZ 3.87Å; Y6-F32 HydrophobicContact CE1-CZ 3.87Å; Y6-F32 AromaticContact CZ-CZ 3.67Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.35Å; Y6-V33 HydrophobicContact CE1-CG2 3.92Å; Y6-M97 WeakPolarHBondContact O-CA 3.46Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.47Å; Y6-Y98 HydrophobicContact CD2-CD2 4.25Å; Y6-Y98 AromaticContact CD2-CE2 3.41Å; Y6-Y98 HydrophobicContact CD2-CE2 3.41Å; Y6-Y98 VanDerWaalsContact CD2-CE2 3.41Å; Y6-Y98 AromaticContact CD2-CZ 3.58Å; Y6-Y98 WeakPolarHBondContact CD2-OH 3.38Å; Y6-Y98 HydrophobicContact CE2-CE2 4.18Å; Y6-Y98 HydrophobicContact CG-CE1 4.29Å; Y6-Y98 AromaticContact CG-CE2 3.96Å; Y6-Y98 HydrophobicContact CG-CE2 3.96Å; Y6-Y98 AromaticContact CG-CZ 3.65Å; Y6-Y98 PolarHBondContact N-O 3Å; Y6-Y98 PolarHBondContact O-N 3.43Å; Y6-Y98 VanDerWaalsContact O-N 3.09Å
7F98.8Very high96.4Very high84 Ų8454.6 Ų54.637%0.36832%0.318SS..EExtended strand (participates in β ladder)trans-126.4120.6178.1-56.6-97.5000109.1R5 A23 V24 Y26 M96 M97R5-F7 HydrophobicContact CB-CD2 4.47Å; R5-F7 HydrophobicContact CB-CE2 3.64Å; R5-F7 HydrophobicContact CB-CZ 3.98Å; F7-A23 WeakPolarHBondContact O-CA 3.28Å; F7-V24 HydrophobicContact CB-CG2 3.82Å; F7-V24 HydrophobicContact CD2-CG2 4.29Å; F7-V24 HydrophobicContact CG-CG2 4.5Å; F7-V24 PolarHBondContact N-O 2.88Å; F7-V24 PolarHBondContact O-N 3.32Å; F7-Y26 HydrophobicContact CD2-CD2 4.18Å; F7-Y26 HydrophobicContact CE2-CD2 4.2Å; F7-M96 CarbonylContact C-O 3.58Å; F7-M96 WeakPolarHBondContact CA-O 3.48Å; F7-M97 HydrophobicContact CD1-CB 3.95Å; F7-M97 HydrophobicContact CD1-CG 3.59Å; F7-M97 HydrophobicContact CE1-CB 4.11Å; F7-M97 HydrophobicContact CE1-CG 3.33Å; F7-M97 HydrophobicContact CG-CG 4.38Å; F7-M97 HydrophobicContact CZ-CG 3.94Å
8Y98.8Very high96.3Very high15 Ų1557.2 Ų57.26%0.05933%0.327CS..EExtended strand (participates in β ladder)trans-112.1143177-57.4-14.8000109.3Y6 F21 I22 A23 Q69 Q95 M96 Y98Y6-Y8 HydrophobicContact CD1-CE1 4.4Å; Y8-F21 HydrophobicContact CD1-CZ 4.28Å; Y8-F21 HydrophobicContact CD2-CE2 4.36Å; Y8-F21 AromaticContact CD2-CZ 3.99Å; Y8-F21 HydrophobicContact CD2-CZ 3.99Å; Y8-F21 HydrophobicContact CE2-CZ 4.47Å; Y8-F21 HydrophobicContact CG-CE2 4.27Å; Y8-F21 AromaticContact CG-CZ 3.84Å; Y8-F21 HydrophobicContact CG-CZ 3.84Å; Y8-I22 CarbonylContact C-O 3.51Å; Y8-I22 WeakPolarHBondContact CA-O 3.35Å; Y8-A23 HydrophobicContact CD1-CB 3.25Å; Y8-A23 HydrophobicContact CE1-CB 3.43Å; Y8-A23 VanDerWaalsContact CE1-CB 3.43Å; Y8-A23 HydrophobicContact CG-CB 4.18Å; Y8-Q69 HydrophobicContact CD2-CG 3.62Å; Y8-Q69 HydrophobicContact CE2-CB 4.29Å; Y8-Q69 HydrophobicContact CE2-CG 3.76Å; Y8-Q95 WeakPolarHBondContact O-CA 3.36Å; Y8-M96 HydrophobicContact CD2-CG 4.14Å; Y8-M96 HydrophobicContact CD2-SD 3.71Å; Y8-M96 HydrophobicContact CE2-SD 4.2Å; Y8-M96 HydrophobicContact CG-CG 4.49Å; Y8-M96 PolarHBondContact N-O 3.3Å; Y8-M96 PolarHBondContact O-N 2.94Å; Y8-Y98 HydrophobicContact CD2-CE1 4.31Å; Y8-Y98 HydrophobicContact CE1-CE1 4.23Å; Y8-Y98 AromaticContact CE2-CE1 3.67Å; Y8-Y98 HydrophobicContact CE2-CE1 3.67Å; Y8-Y98 AromaticContact CZ-CE1 3.63Å; Y8-Y98 PolarHBondContact OH-OH 3.48Å
9T98.8Very high96.3Very high43 Ų4355.4 Ų55.426%0.26432%0.318SS..EExtended strand (participates in β ladder)trans-141.7124.9178.6-58.10000109.6V11 F21 I22 T93 I94 Q95T9-V11 HydrophobicContact CG2-CG2 4.13Å; T9-F21 WeakPolarHBondContact O-CA 3.43Å; T9-I22 PolarHBondContact N-O 3.35Å; T9-I22 PolarHBondContact O-N 3.36Å; T9-T93 HydrophobicContact CG2-CG2 3.89Å; T9-I94 WeakPolarHBondContact CA-O 3.15Å; T9-Q95 HydrophobicContact CG2-CG 4.15Å
10S98.7Very high96.4Very high1 Ų157.1 Ų57.11%0.00732%0.319CS..EExtended strand (participates in β ladder)trans-119121.2178.2-74.50000110.3R20 F21 D73 T93 I94S10-R20 CarbonylContact C-O 3.59Å; S10-R20 VanDerWaalsContact CA-O 3.27Å; S10-R20 WeakPolarHBondContact CA-O 3.27Å; S10-F21 WeakPolarHBondContact OG-CD2 3.45Å; S10-D73 WeakPolarHBondContact CB-OD2 3.41Å; S10-D73 WeakPolarHBondContact OG-CB 3.38Å; S10-D73 VanDerWaalsContact OG-CG 3.3Å; S10-D73 PolarHBondContact OG-OD2 3.05Å; S10-T93 CarbonylContact O-C 3.6Å; S10-T93 VanDerWaalsContact O-CA 3.26Å; S10-T93 WeakPolarHBondContact O-CA 3.31Å; S10-I94 PolarHBondContact N-O 3.46Å; S10-I94 PolarHBondContact O-N 2.94Å
11V98.4Very high96.5Very high48 Ų4854.4 Ų54.429%0.29130%0.304SS..EExtended strand (participates in β ladder)trans-116.7116-179.1-174.60000109.2T9 P19 R20 T93T9-V11 HydrophobicContact CG2-CG2 4.13Å; V11-P19 CarbonylContact O-C 3.58Å; V11-P19 WeakPolarHBondContact O-CA 3.3Å; V11-P19 WeakPolarHBondContact O-CB 3.42Å; V11-R20 PolarHBondContact N-O 2.9Å; V11-R20 PolarHBondContact O-N 3.3Å; V11-T93 HydrophobicContact CG2-CG2 4.12Å
12S97.6Very high96.8Very high17 Ų1751.1 Ų51.112%0.11928%0.277CS..  trans-69.6145.6175.275.10000111S91 H92S12-S91 WeakPolarHBondContact O-CB 3.36Å; S12-S91 PolarHBondContact O-OG 3.47Å; S12-H92 PolarHBondContact N-O 2.99Å; S12-H92 PolarHBondContact OG-N 3.41Å; S12-H92 PolarHBondContact OG-O 2.9Å
13R96.1Very high96.8Very high65 Ų6549.1 Ų49.125%0.24527%0.268CS..  trans-131.571.5-174.9-61.2-176.3-78.2-163-9.5111G15 R16 E18 R20 D38R13-G15 PolarHBondContact O-N 3.39Å; R13-R16 HydrophobicContact CB-CB 4.08Å; R13-R16 PolarHBondContact O-N 3.4Å; R13-E18 VanDerWaalsContact CZ-O 3.26Å; R13-E18 PolarHBondContact NE-O 2.97Å; R13-E18 PolarHBondContact NH2-O 3.27Å; R13-R20 VanDerWaalsContact CZ-CB 3.5Å; R13-D38 IonicContact CZ-OD1 3.51Å; R13-D38 IonicContact CZ-OD2 3.65Å; R13-D38 IonicContact NH1-OD1 3.27Å; R13-D38 PolarHBondContact NH1-OD1 3.43Å; R13-D38 IonicContact NH1-OD2 2.71Å; R13-D38 PolarHBondContact NH1-OD2 2.88Å; R13-D38 IonicContact NH2-OD1 3.97Å; R13-D38 PolarHBondContact NH2-OD1 3.3Å; R13-D38 IonicContact NH2-OD2 2.9Å
14P92.1Very high96.9Very high53 Ų5349.1 Ų49.134%0.34427%0.267SS..THydrogen-bonded Turntrans-49.9126.6-177.5-26.133.4000112.2R16 E88 G90P14-R16 PolarHBondContact O-N 2.99Å; P14-E88 WeakPolarHBondContact CB-O 3.49Å; P14-E88 WeakPolarHBondContact CG-O 3.29Å; P14-G90 WeakPolarHBondContact CG-O 3.5Å
15G90.3Very high96.9Very high90 Ų9049.1 Ų49.193%0.92827%0.267SS*.THydrogen-bonded Turntrans71.24.7-178.800000116R13R13-G15 PolarHBondContact O-N 3.39Å
16R92.2Very high96.9Very high217 Ų21750.1 Ų50.182%0.81927%0.271SS*.SBendtrans-126.123.5-178.7-58.8-177.8-178.1-178.10.7113.3R13 P14R13-R16 HydrophobicContact CB-CB 4.08Å; R13-R16 PolarHBondContact O-N 3.4Å; P14-R16 PolarHBondContact O-N 2.99Å
17G91.5Very high96.8Very high59 Ų5949.6 Ų49.661%0.60827%0.269SS*.SBendtrans95.4-158.4177.200000114
18E94.3Very high96.7Very high102 Ų10247 Ų4748%0.47726%0.259SS..SBendtrans-67.8153.8-177.1-65.2-64.9159.800112.3R13 R20 R74R13-E18 VanDerWaalsContact CZ-O 3.26Å; R13-E18 PolarHBondContact NE-O 2.97Å; R13-E18 PolarHBondContact NH2-O 3.27Å; E18-R20 PolarHBondContact O-N 2.79Å; E18-R74 IonicContact OE1-CZ 3.69Å; E18-R74 IonicContact OE1-NH1 3.57Å; E18-R74 PolarHBondContact OE1-NH1 3.12Å; E18-R74 WeakPolarHBondContact OE2-CD 3.49Å; E18-R74 IonicContact OE2-CZ 2.75Å; E18-R74 IonicContact OE2-NE 3.67Å; E18-R74 IonicContact OE2-NH1 3.87Å; E18-R74 PolarHBondContact OE2-NH1 3Å
19P97.1Very high96.6Very high23 Ų2349.4 Ų49.415%0.14927%0.273CS..PPolyproline II helixtrans-52.7140.4172-25.234.9000112V11 R74 L77V11-P19 CarbonylContact O-C 3.58Å; V11-P19 WeakPolarHBondContact O-CA 3.3Å; V11-P19 WeakPolarHBondContact O-CB 3.42Å; P19-R74 HydrophobicContact CG-CB 4.34Å; P19-R74 HydrophobicContact CG-CG 4.3Å; P19-L77 HydrophobicContact CB-CD1 3.58Å; P19-L77 HydrophobicContact CG-CD1 3.62Å
20R98.2Very high96.4Very high89 Ų8948.3 Ų48.334%0.33627%0.266SS..EExtended strand (participates in β ladder)trans-78.7126.5171.6-169.1175.3177.9-178.1-2.3108.5S10 V11 R13 E18 I22 D36 S37 D38S10-R20 CarbonylContact C-O 3.59Å; S10-R20 VanDerWaalsContact CA-O 3.27Å; S10-R20 WeakPolarHBondContact CA-O 3.27Å; V11-R20 PolarHBondContact N-O 2.9Å; V11-R20 PolarHBondContact O-N 3.3Å; R13-R20 VanDerWaalsContact CZ-CB 3.5Å; E18-R20 PolarHBondContact O-N 2.79Å; R20-I22 HydrophobicContact CG-CG1 4.32Å; R20-D36 IonicContact CZ-OD1 3.5Å; R20-D36 IonicContact CZ-OD2 3.12Å; R20-D36 IonicContact NE-OD1 2.72Å; R20-D36 PolarHBondContact NE-OD1 3.25Å; R20-D36 VanDerWaalsContact NE-OD1 3.11Å; R20-D36 IonicContact NE-OD2 3.61Å; R20-D36 IonicContact NH2-OD1 3.66Å; R20-D36 PolarHBondContact NH2-OD1 2.97Å; R20-D36 IonicContact NH2-OD2 2.73Å; R20-D36 PolarHBondContact NH2-OD2 3.4Å; R20-S37 WeakPolarHBondContact CA-OG 3.35Å; R20-D38 VanDerWaalsContact CD-OD2 3.3Å; R20-D38 WeakPolarHBondContact CD-OD2 3.46Å; R20-D38 IonicContact NE-OD2 3.32Å; R20-D38 PolarHBondContact NE-OD2 2.94Å
21F98.7Very high96.4Very high1 Ų150.7 Ų50.70%0.00428%0.277CS..EExtended strand (participates in β ladder)trans-111.4126174.5178.1-85.8000109.9Y8 T9 S10 A23 F35 S37 V66 Q69 S70 D73Y8-F21 HydrophobicContact CD1-CZ 4.28Å; Y8-F21 HydrophobicContact CD2-CE2 4.36Å; Y8-F21 AromaticContact CD2-CZ 3.99Å; Y8-F21 HydrophobicContact CD2-CZ 3.99Å; Y8-F21 HydrophobicContact CE2-CZ 4.47Å; Y8-F21 HydrophobicContact CG-CE2 4.27Å; Y8-F21 AromaticContact CG-CZ 3.84Å; Y8-F21 HydrophobicContact CG-CZ 3.84Å; T9-F21 WeakPolarHBondContact O-CA 3.43Å; S10-F21 WeakPolarHBondContact OG-CD2 3.45Å; F21-A23 HydrophobicContact CE1-CB 3.59Å; F21-A23 HydrophobicContact CZ-CB 3.95Å; F21-F35 AromaticContact CD1-CD1 3.65Å; F21-F35 HydrophobicContact CD1-CD1 3.65Å; F21-F35 AromaticContact CD1-CE1 3.75Å; F21-F35 HydrophobicContact CD1-CE1 3.75Å; F21-F35 AromaticContact CE1-CD1 3.95Å; F21-F35 HydrophobicContact CE1-CD1 3.95Å; F21-F35 HydrophobicContact CE1-CE1 4.33Å; F21-S37 PolarHBondContact N-OG 2.95Å; F21-S37 PolarHBondContact O-N 3.37Å; F21-S37 PolarHBondContact O-OG 3.35Å; F21-V66 HydrophobicContact CE1-CB 4.04Å; F21-Q69 HydrophobicContact CE2-CB 4.36Å; F21-Q69 HydrophobicContact CE2-CG 3.97Å; F21-Q69 HydrophobicContact CZ-CB 4.24Å; F21-Q69 HydrophobicContact CZ-CG 4.14Å; F21-S70 WeakPolarHBondContact CB-OG 3.33Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.28Å
22I98.8Very high96.4Very high41 Ų4148.4 Ų48.421%0.2126%0.263CS..EExtended strand (participates in β ladder)trans-123132.4173.9-58.4173.6000107.9Y8 T9 R20 V24 F35Y8-I22 CarbonylContact C-O 3.51Å; Y8-I22 WeakPolarHBondContact CA-O 3.35Å; T9-I22 PolarHBondContact N-O 3.35Å; T9-I22 PolarHBondContact O-N 3.36Å; R20-I22 HydrophobicContact CG-CG1 4.32Å; I22-V24 HydrophobicContact CG2-CG1 4.38Å; I22-F35 WeakPolarHBondContact CA-O 3.33Å
23A98.8Very high96.4Very high1 Ų147.7 Ų47.71%0.00826%0.258CS..EExtended strand (participates in β ladder)trans-125137.5171.400000110.5F7 Y8 F21 R34 F35 V66F7-A23 WeakPolarHBondContact O-CA 3.28Å; Y8-A23 HydrophobicContact CD1-CB 3.25Å; Y8-A23 HydrophobicContact CE1-CB 3.43Å; Y8-A23 VanDerWaalsContact CE1-CB 3.43Å; Y8-A23 HydrophobicContact CG-CB 4.18Å; F21-A23 HydrophobicContact CE1-CB 3.59Å; F21-A23 HydrophobicContact CZ-CB 3.95Å; A23-R34 CarbonylContact O-C 3.58Å; A23-R34 VanDerWaalsContact O-CA 3.3Å; A23-R34 WeakPolarHBondContact O-CA 3.43Å; A23-F35 HydrophobicContact CB-CB 4.24Å; A23-F35 PolarHBondContact N-O 3.47Å; A23-F35 PolarHBondContact O-N 2.65Å; A23-V66 HydrophobicContact CB-CG1 4.15Å
24V98.9Very high96.5Very high22 Ų2247.7 Ų47.713%0.13326%0.258CS..EExtended strand (participates in β ladder)trans-133.6146174.4-62.50000110.2Y6 F7 I22 Y26 Q31 V33 R34Y6-V24 CarbonylContact C-O 3.56Å; Y6-V24 WeakPolarHBondContact CA-O 3.29Å; F7-V24 HydrophobicContact CB-CG2 3.82Å; F7-V24 HydrophobicContact CD2-CG2 4.29Å; F7-V24 HydrophobicContact CG-CG2 4.5Å; F7-V24 PolarHBondContact N-O 2.88Å; F7-V24 PolarHBondContact O-N 3.32Å; I22-V24 HydrophobicContact CG2-CG1 4.38Å; V24-Y26 HydrophobicContact CB-CE2 4.08Å; V24-Y26 HydrophobicContact CG2-CD2 4.37Å; V24-Y26 HydrophobicContact CG2-CE2 3.81Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.27Å; V24-V33 WeakPolarHBondContact CA-O 3.42Å; V24-R34 HydrophobicContact CG1-CG 4.22Å
25G98.7Very high96.9Very high0 Ų045.4 Ų45.40%024%0.243CC..EExtended strand (participates in β ladder)trans-124.7138.4176.100000110.8R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.58Å; R5-G25 WeakPolarHBondContact O-CA 3.28Å; G25-Q31 WeakPolarHBondContact O-CA 3.3Å; G25-Q31 WeakPolarHBondContact O-CG 3.34Å; G25-F32 WeakPolarHBondContact O-CD1 3.35Å; G25-F32 PolarHBondContact O-N 2.94Å; G25-V33 PolarHBondContact N-O 3.48Å; G25-V33 VanDerWaalsContact N-O 3.08Å; G25-V33 PolarHBondContact O-N 2.95Å
26Y98.6Very high97.3Very high71 Ų7142.1 Ų42.128%0.27820%0.204SC..EExtended strand (participates in β ladder)trans-125.2142178.8-73.8-101.3000110.6M4 R5 F7 V24 T30 Q31M4-Y26 CarbonylContact C-O 3.59Å; M4-Y26 WeakPolarHBondContact CA-O 3.43Å; R5-Y26 PolarHBondContact N-O 3.49Å; R5-Y26 PolarHBondContact O-N 3.44Å; F7-Y26 HydrophobicContact CD2-CD2 4.18Å; F7-Y26 HydrophobicContact CE2-CD2 4.2Å; V24-Y26 HydrophobicContact CB-CE2 4.08Å; V24-Y26 HydrophobicContact CG2-CD2 4.37Å; V24-Y26 HydrophobicContact CG2-CE2 3.81Å; Y26-T30 WeakPolarHBondContact CA-O 3.44Å; Y26-T30 VanDerWaalsContact CD1-C 3.45Å; Y26-Q31 HydrophobicContact CD1-CB 3.96Å; Y26-Q31 VanDerWaalsContact CD1-N 3.26Å; Y26-Q31 HydrophobicContact CD2-CG 4.42Å; Y26-Q31 HydrophobicContact CE1-CB 3.47Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.47Å; Y26-Q31 HydrophobicContact CE1-CG 4.16Å; Y26-Q31 HydrophobicContact CE2-CB 4.18Å; Y26-Q31 HydrophobicContact CE2-CG 3.94Å; Y26-Q31 HydrophobicContact CG-CB 4.49Å
27V98.4Very high97.5Very high0 Ų032.5 Ų32.50%017%0.17CC..EExtended strand (participates in β ladder)trans-109.4119.3157.2176.70000106S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.57Å; S3-V27 WeakPolarHBondContact O-CA 3.44Å; M4-V27 HydrophobicContact CG-CG2 4.33Å; V27-D29 PolarHBondContact O-N 3.46Å; V27-T30 PolarHBondContact N-O 3.04Å; V27-T30 PolarHBondContact O-N 2.87Å; V27-F32 HydrophobicContact CG2-CD1 3.98Å; V27-F32 HydrophobicContact CG2-CE1 3.97Å; V27-W50 HydrophobicContact CB-CH2 4.46Å; V27-W50 HydrophobicContact CG2-CH2 3.96Å; V27-L167 HydrophobicContact CG1-CD1 3.62Å; V27-L167 HydrophobicContact CG2-CD1 4.3Å; V27-Y170 HydrophobicContact CG2-CD2 3.94Å; V27-Y170 HydrophobicContact CG2-CG 4.46Å; V27-L171 HydrophobicContact CG1-CD2 4.09Å; V27-L178 HydrophobicContact CB-CD1 4.26Å; V27-L178 HydrophobicContact CB-CD2 4.07Å; V27-L178 HydrophobicContact CG1-CD1 3.89Å; V27-L178 HydrophobicContact CG1-CD2 4.06Å; V27-L178 HydrophobicContact CG1-CG 4.49Å
28D96.5Very high97.8Very high30 Ų3033.6 Ų33.616%0.1616%0.162CC..THydrogen-bonded Turntrans48.4-123.4-165.8-53.2-41000110.3H2 S3H2-D28 WeakPolarHBondContact CA-OD1 3.38Å; H2-D28 IonicContact CE1-OD2 3.91Å; H2-D28 IonicContact CG-OD2 2.59Å; H2-D28 IonicContact ND1-OD1 3.26Å; H2-D28 IonicContact ND1-OD2 3.12Å; H2-D28 PolarHBondContact ND1-OD2 3.49Å; S3-D28 PolarHBondContact N-OD1 3.3Å; S3-D28 PolarHBondContact O-N 3.39Å; S3-D28 PolarHBondContact OG-OD1 2.9Å
29D95.3Very high97.9Very high64 Ų6430.2 Ų30.234%0.34215%0.151SC..THydrogen-bonded Turntrans-948.9-179.5-51.7-57.7000113.4V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 3.46Å; D29-Y208 HydrophobicContact CB-CE2 4.44Å; D29-P209 WeakPolarHBondContact OD2-CB 3.32Å; D29-A210 HydrophobicContact CB-CB 4.15Å; D29-A210 VanDerWaalsContact CG-CB 3.48Å; D29-A210 WeakPolarHBondContact OD2-CB 3.17Å; D29-A210 PolarHBondContact OD2-N 2.85Å; D29-F240 HydrophobicContact CB-CE2 3.78Å; D29-F240 HydrophobicContact CB-CZ 3.53Å
30T96.4Very high97.9Very high21 Ų2134.6 Ų34.613%0.12919%0.19CC..EExtended strand (participates in β ladder)trans-106114.9-176.2-59.80000111.8Y26 V27 F32 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.44Å; Y26-T30 VanDerWaalsContact CD1-C 3.45Å; V27-T30 PolarHBondContact N-O 3.04Å; V27-T30 PolarHBondContact O-N 2.87Å; T30-F32 PolarHBondContact O-N 3.47Å; T30-L178 HydrophobicContact CG2-CD2 4.12Å; T30-Y208 PolarHBondContact OG1-OH 3Å
31Q97.4Very high97.7Very high51 Ų5132.9 Ų32.924%0.23819%0.191CC..EExtended strand (participates in β ladder)trans-67.5130.6173.5-165.6179.71.300110.5V24 G25 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.27Å; G25-Q31 WeakPolarHBondContact O-CA 3.3Å; G25-Q31 WeakPolarHBondContact O-CG 3.34Å; Y26-Q31 HydrophobicContact CD1-CB 3.96Å; Y26-Q31 VanDerWaalsContact CD1-N 3.26Å; Y26-Q31 HydrophobicContact CD2-CG 4.42Å; Y26-Q31 HydrophobicContact CE1-CB 3.47Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.47Å; Y26-Q31 HydrophobicContact CE1-CG 4.16Å; Y26-Q31 HydrophobicContact CE2-CB 4.18Å; Y26-Q31 HydrophobicContact CE2-CG 3.94Å; Y26-Q31 HydrophobicContact CG-CB 4.49Å; Q31-V33 PolarHBondContact NE2-O 3.4Å; Q31-V33 VanDerWaalsContact NE2-O 3.17Å; Q31-R47 HydrophobicContact CG-CB 4.16Å; Q31-R47 HydrophobicContact CG-CG 4.4Å
32F98.2Very high97.6Very high0 Ų037 Ų370%021%0.21CC..EExtended strand (participates in β ladder)trans-120.5-22.5179.774.1-83.4000114.4M4 Y6 G25 V27 T30 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.36Å; M4-F32 HydrophobicContact CG-CZ 4.46Å; M4-F32 HydrophobicContact SD-CZ 4.24Å; Y6-F32 AromaticContact CE1-CZ 3.87Å; Y6-F32 HydrophobicContact CE1-CZ 3.87Å; Y6-F32 AromaticContact CZ-CZ 3.67Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.35Å; G25-F32 WeakPolarHBondContact O-CD1 3.35Å; G25-F32 PolarHBondContact O-N 2.94Å; V27-F32 HydrophobicContact CG2-CD1 3.98Å; V27-F32 HydrophobicContact CG2-CE1 3.97Å; T30-F32 PolarHBondContact O-N 3.47Å; F32-R47 PolarHBondContact O-N 2.84Å; F32-A48 HydrophobicContact CB-CB 4.21Å; F32-W50 HydrophobicContact CB-CH2 3.14Å; F32-W50 HydrophobicContact CB-CZ2 3.37Å; F32-W50 HydrophobicContact CB-CZ3 3.99Å; F32-W50 HydrophobicContact CD1-CH2 4.11Å; F32-W50 AromaticContact CD2-CH2 3.89Å; F32-W50 HydrophobicContact CD2-CH2 3.89Å; F32-W50 HydrophobicContact CD2-CZ3 4.19Å; F32-W50 AromaticContact CG-CH2 3.48Å; F32-W50 HydrophobicContact CG-CH2 3.48Å; F32-W50 VanDerWaalsContact CG-CH2 3.48Å; F32-W50 HydrophobicContact CG-CZ2 4.17Å; F32-W50 HydrophobicContact CG-CZ3 4.23Å; F32-I51 HydrophobicContact CD2-CD1 3.9Å; F32-I51 HydrophobicContact CD2-CG1 4.03Å; F32-I51 HydrophobicContact CE2-CD1 4.28Å; F32-I51 WeakPolarHBondContact O-CG2 3.37Å; F32-Y170 HydrophobicContact CD2-CE2 4.44Å; F32-Y170 HydrophobicContact CE2-CD2 4.21Å; F32-Y170 AromaticContact CE2-CE2 3.62Å; F32-Y170 HydrophobicContact CE2-CE2 3.62Å; F32-Y170 AromaticContact CE2-CZ 3.98Å; F32-Y170 HydrophobicContact CZ-CD2 4.25Å; F32-Y170 AromaticContact CZ-CE2 3.76Å; F32-Y170 HydrophobicContact CZ-CE2 3.76Å
33V98.6Very high97.5Very high1 Ų142.4 Ų42.41%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-140.5153.9176.3-72.50000112.7Y6 V24 G25 Q31 M44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 3.92Å; V24-V33 WeakPolarHBondContact CA-O 3.42Å; G25-V33 PolarHBondContact N-O 3.48Å; G25-V33 VanDerWaalsContact N-O 3.08Å; G25-V33 PolarHBondContact O-N 2.95Å; Q31-V33 PolarHBondContact NE2-O 3.4Å; Q31-V33 VanDerWaalsContact NE2-O 3.17Å; V33-M44 HydrophobicContact CB-CG 4.13Å; V33-M44 HydrophobicContact CB-SD 3.69Å; V33-M44 HydrophobicContact CG1-CG 4.17Å; V33-M44 HydrophobicContact CG1-SD 4.37Å; V33-M44 HydrophobicContact CG2-SD 4.11Å; V33-E45 WeakPolarHBondContact CA-O 3.35Å; V33-I51 HydrophobicContact CG1-CG1 4.41Å; V33-W59 HydrophobicContact CG1-CH2 4.13Å; V33-W59 HydrophobicContact CG1-CZ3 3.96Å
34R98.6Very high97.5Very high66 Ų6642.9 Ų42.925%0.24923%0.23CC..EExtended strand (participates in β ladder)trans-144.4144.6172.5-179.3174.1170.698.15.7111.2A23 V24 D36 M44 E45 R47A23-R34 CarbonylContact O-C 3.58Å; A23-R34 VanDerWaalsContact O-CA 3.3Å; A23-R34 WeakPolarHBondContact O-CA 3.43Å; V24-R34 HydrophobicContact CG1-CG 4.22Å; R34-D36 IonicContact CZ-OD2 2.74Å; R34-D36 IonicContact NH2-OD2 2.76Å; R34-D36 PolarHBondContact NH2-OD2 3Å; R34-M44 VanDerWaalsContact C-SD 3.58Å; R34-E45 PolarHBondContact N-O 3.34Å; R34-E45 PolarHBondContact O-N 3.39Å; R34-R47 HydrophobicContact CB-CG 3.89Å
35F98.8Very high97.5Very high5 Ų544.7 Ų44.72%0.02224%0.237CC..EExtended strand (participates in β ladder)trans-130.8144.7164.3175.7-83000109.5F21 I22 A23 Q42 R43 M44 V66 K67F21-F35 AromaticContact CD1-CD1 3.65Å; F21-F35 HydrophobicContact CD1-CD1 3.65Å; F21-F35 AromaticContact CD1-CE1 3.75Å; F21-F35 HydrophobicContact CD1-CE1 3.75Å; F21-F35 AromaticContact CE1-CD1 3.95Å; F21-F35 HydrophobicContact CE1-CD1 3.95Å; F21-F35 HydrophobicContact CE1-CE1 4.33Å; I22-F35 WeakPolarHBondContact CA-O 3.33Å; A23-F35 HydrophobicContact CB-CB 4.24Å; A23-F35 PolarHBondContact N-O 3.47Å; A23-F35 PolarHBondContact O-N 2.65Å; F35-Q42 VanDerWaalsContact CE2-C 3.46Å; F35-Q42 HydrophobicContact CE2-CB 4.43Å; F35-Q42 WeakPolarHBondContact CE2-O 3.31Å; F35-Q42 HydrophobicContact CZ-CB 4.43Å; F35-R43 WeakPolarHBondContact CD2-O 3.07Å; F35-M44 HydrophobicContact CB-CE 4.42Å; F35-M44 HydrophobicContact CB-SD 4.01Å; F35-V66 HydrophobicContact CB-CG2 4.02Å; F35-V66 HydrophobicContact CD1-CG2 4.13Å; F35-V66 HydrophobicContact CD2-CG2 3.38Å; F35-V66 HydrophobicContact CE1-CG2 4.47Å; F35-V66 HydrophobicContact CE2-CG2 3.77Å; F35-V66 HydrophobicContact CG-CB 4.3Å; F35-V66 HydrophobicContact CG-CG2 3.58Å; F35-V66 HydrophobicContact CZ-CG2 4.31Å; F35-K67 HydrophobicContact CE2-CG 4.16Å; F35-K67 HydrophobicContact CZ-CG 4.03Å
36D98.6Very high97.4Very high21 Ų2146.9 Ų46.911%0.11225%0.251CS..EExtended strand (participates in β ladder)trans-139122.6174.4-162.3-32.6000109R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.5Å; R20-D36 IonicContact CZ-OD2 3.12Å; R20-D36 IonicContact NE-OD1 2.72Å; R20-D36 PolarHBondContact NE-OD1 3.25Å; R20-D36 VanDerWaalsContact NE-OD1 3.11Å; R20-D36 IonicContact NE-OD2 3.61Å; R20-D36 IonicContact NH2-OD1 3.66Å; R20-D36 PolarHBondContact NH2-OD1 2.97Å; R20-D36 IonicContact NH2-OD2 2.73Å; R20-D36 PolarHBondContact NH2-OD2 3.4Å; R34-D36 IonicContact CZ-OD2 2.74Å; R34-D36 IonicContact NH2-OD2 2.76Å; R34-D36 PolarHBondContact NH2-OD2 3Å; D36-D38 PolarHBondContact O-N 3.49Å; D36-D38 PolarHBondContact OD1-N 3.48Å; D36-A39 HydrophobicContact CB-CB 4.13Å; D36-A39 WeakPolarHBondContact O-CB 3.32Å; D36-A39 PolarHBondContact O-N 2.95Å; D36-A39 VanDerWaalsContact O-N 3.14Å
37S98.1Very high97.4Very high15 Ų1548.3 Ų48.311%0.10526%0.256CS..THydrogen-bonded Turntrans-64.2-23.7-179.564.20000113.1R20 F21 Q42R20-S37 WeakPolarHBondContact CA-OG 3.35Å; F21-S37 PolarHBondContact N-OG 2.95Å; F21-S37 PolarHBondContact O-N 3.37Å; F21-S37 PolarHBondContact O-OG 3.35Å; S37-Q42 PolarHBondContact O-NE2 2.89Å
38D97.2Very high97.3Very high82 Ų8248.6 Ų48.644%0.43926%0.259SS..THydrogen-bonded Turntrans-87.1-8.6179.6-69.30.9000112.4R13 R20 D36R13-D38 IonicContact CZ-OD1 3.51Å; R13-D38 IonicContact CZ-OD2 3.65Å; R13-D38 IonicContact NH1-OD1 3.27Å; R13-D38 PolarHBondContact NH1-OD1 3.43Å; R13-D38 IonicContact NH1-OD2 2.71Å; R13-D38 PolarHBondContact NH1-OD2 2.88Å; R13-D38 IonicContact NH2-OD1 3.97Å; R13-D38 PolarHBondContact NH2-OD1 3.3Å; R13-D38 IonicContact NH2-OD2 2.9Å; R20-D38 VanDerWaalsContact CD-OD2 3.3Å; R20-D38 WeakPolarHBondContact CD-OD2 3.46Å; R20-D38 IonicContact NE-OD2 3.32Å; R20-D38 PolarHBondContact NE-OD2 2.94Å; D36-D38 PolarHBondContact O-N 3.49Å; D36-D38 PolarHBondContact OD1-N 3.48Å
39A97.1Very high97.3Very high31 Ų3152.2 Ų52.226%0.25628%0.284SS..SBendtrans-71.1143176.100000111.2D36 S41 Q42D36-A39 HydrophobicContact CB-CB 4.13Å; D36-A39 WeakPolarHBondContact O-CB 3.32Å; D36-A39 PolarHBondContact O-N 2.95Å; D36-A39 VanDerWaalsContact O-N 3.14Å; A39-S41 VanDerWaalsContact C-N 3.27Å; A39-S41 PolarHBondContact O-N 2.96Å; A39-Q42 WeakPolarHBondContact O-CG 3.27Å; A39-Q42 PolarHBondContact O-N 3.48Å; A39-Q42 VanDerWaalsContact O-N 3.13Å
40A96.4Very high97.3Very high115 Ų11549.9 Ų49.995%0.9527%0.27SS*.THydrogen-bonded Turntrans-60.8-33.5-17900000113.7
41S93.6Very high97.4Very high53 Ų5348.9 Ų48.937%0.37126%0.264SS..THydrogen-bonded Turntrans-72.3-31.8178.862.50000112.3A39 R43 E45A39-S41 VanDerWaalsContact C-N 3.27Å; A39-S41 PolarHBondContact O-N 2.96Å; S41-R43 WeakPolarHBondContact O-CG 3.49Å; S41-R43 PolarHBondContact O-N 2.93Å; S41-E45 PolarHBondContact OG-OE1 2.94Å
42Q96.1Very high97.4Very high86 Ų8652.4 Ų52.440%0.40228%0.28SS..  trans37.850.9-167.5-59.9-172.6-23.800111.9F35 S37 A39 K67F35-Q42 VanDerWaalsContact CE2-C 3.46Å; F35-Q42 HydrophobicContact CE2-CB 4.43Å; F35-Q42 WeakPolarHBondContact CE2-O 3.31Å; F35-Q42 HydrophobicContact CZ-CB 4.43Å; S37-Q42 PolarHBondContact O-NE2 2.89Å; A39-Q42 WeakPolarHBondContact O-CG 3.27Å; A39-Q42 PolarHBondContact O-N 3.48Å; A39-Q42 VanDerWaalsContact O-N 3.13Å; Q42-K67 WeakPolarHBondContact O-CE 3.13Å; Q42-K67 PolarHBondContact O-NZ 3.28Å; Q42-K67 VanDerWaalsContact O-NZ 3.12Å
43R97.9Very high97.2Very high155 Ų15558.2 Ų58.259%0.58531%0.308SS*.SBendtrans-124.4155.8179.4-82.1176.5173.8158.20.1110.3F35 S41 E45 T63F35-R43 WeakPolarHBondContact CD2-O 3.07Å; S41-R43 WeakPolarHBondContact O-CG 3.49Å; S41-R43 PolarHBondContact O-N 2.93Å; R43-E45 PolarHBondContact O-N 3.42Å; R43-T63 HydrophobicContact CB-CG2 4.5Å; R43-T63 HydrophobicContact CG-CG2 4.12Å
44M98.3Very high97.2Very high11 Ų1158.7 Ų58.75%0.05431%0.31CS..  trans-68.3127.6167-173.46783.300108.1V33 R34 F35 W59 N62 T63 V66V33-M44 HydrophobicContact CB-CG 4.13Å; V33-M44 HydrophobicContact CB-SD 3.69Å; V33-M44 HydrophobicContact CG1-CG 4.17Å; V33-M44 HydrophobicContact CG1-SD 4.37Å; V33-M44 HydrophobicContact CG2-SD 4.11Å; R34-M44 VanDerWaalsContact C-SD 3.58Å; F35-M44 HydrophobicContact CB-CE 4.42Å; F35-M44 HydrophobicContact CB-SD 4.01Å; M44-W59 HydrophobicContact CB-CE3 4.24Å; M44-W59 HydrophobicContact CG-CE3 4.15Å; M44-W59 HydrophobicContact CG-CZ3 3.96Å; M44-N62 HydrophobicContact CB-CB 4.27Å; M44-N62 HydrophobicContact CE-CB 4.32Å; M44-N62 HydrophobicContact CG-CB 4.2Å; M44-T63 PolarHBondContact N-OG1 2.93Å; M44-V66 HydrophobicContact CE-CB 4.39Å; M44-V66 HydrophobicContact CE-CG1 3.35Å; M44-V66 HydrophobicContact CE-CG2 4.21Å
45E98.1Very high97.1Very high61 Ų6157.2 Ų57.229%0.28532%0.315SS..EExtended strand (participates in β ladder)trans-117143.1-175.2-63177.517300111.1V33 R34 S41 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.35Å; R34-E45 PolarHBondContact N-O 3.34Å; R34-E45 PolarHBondContact O-N 3.39Å; S41-E45 PolarHBondContact OG-OE1 2.94Å; R43-E45 PolarHBondContact O-N 3.42Å; E45-R47 IonicContact OE2-CZ 3.73Å; E45-R47 IonicContact OE2-NH1 3.11Å; E45-R47 PolarHBondContact OE2-NH1 3.5Å; E45-R47 VanDerWaalsContact OE2-NH1 3.09Å; E45-R47 IonicContact OE2-NH2 3.48Å; E45-R47 PolarHBondContact OE2-NH2 3.01Å
46P98.2Very high97.1Very high45 Ų4561.7 Ų61.729%0.29234%0.344SS..EExtended strand (participates in β ladder)trans-67.6147.9174.329.5-35.2000111.3I51 E52 W59P46-I51 HydrophobicContact CB-CG2 3.53Å; P46-E52 HydrophobicContact CB-CG 3.76Å; P46-E52 HydrophobicContact CG-CG 4.04Å; P46-W59 HydrophobicContact CB-CH2 3.67Å; P46-W59 HydrophobicContact CB-CZ2 4.07Å; P46-W59 HydrophobicContact CG-CH2 4.29Å
47R97.4Very high97Very high102 Ų10268.8 Ų68.839%0.38538%0.377SS..  trans-130.11.4172.8-65.3-63.8-178.8-93.52.5113.5Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.16Å; Q31-R47 HydrophobicContact CG-CG 4.4Å; F32-R47 PolarHBondContact O-N 2.84Å; R34-R47 HydrophobicContact CB-CG 3.89Å; E45-R47 IonicContact OE2-CZ 3.73Å; E45-R47 IonicContact OE2-NH1 3.11Å; E45-R47 PolarHBondContact OE2-NH1 3.5Å; E45-R47 VanDerWaalsContact OE2-NH1 3.09Å; E45-R47 IonicContact OE2-NH2 3.48Å; E45-R47 PolarHBondContact OE2-NH2 3.01Å
48A96.2Very high97Very high6 Ų668.5 Ų68.55%0.0537%0.374CS..SBendtrans-140.7142.617400000110.9F32 W50 I51F32-A48 HydrophobicContact CB-CB 4.21Å; A48-W50 VanDerWaalsContact C-N 3.27Å; A48-W50 HydrophobicContact CB-CD2 4.2Å; A48-W50 HydrophobicContact CB-CG 4.4Å; A48-W50 HydrophobicContact CB-CZ2 3.98Å; A48-W50 PolarHBondContact O-N 3.06Å; A48-I51 VanDerWaalsContact O-CG2 3.32Å; A48-I51 WeakPolarHBondContact O-CG2 3.37Å; A48-I51 PolarHBondContact O-N 3.02Å
49P96.3Very high97.1Very high105 Ų10566.5 Ų66.568%0.68236%0.36SS*.G310 helixtrans-57.8-36.2-175.8-27.235.1000114.1I51 E52P49-I51 PolarHBondContact O-N 3.38Å; P49-E52 WeakPolarHBondContact O-CB 3.48Å; P49-E52 PolarHBondContact O-N 3.43Å; P49-E52 VanDerWaalsContact O-N 3.14Å
50W96.5Very high97.1Very high16 Ų1669.1 Ų69.16%0.06137%0.37CS..G310 helixtrans-70.8-13-175.654-104.8000114.6V27 F32 A48 Q53 Y170 G174 L178V27-W50 HydrophobicContact CB-CH2 4.46Å; V27-W50 HydrophobicContact CG2-CH2 3.96Å; F32-W50 HydrophobicContact CB-CH2 3.14Å; F32-W50 HydrophobicContact CB-CZ2 3.37Å; F32-W50 HydrophobicContact CB-CZ3 3.99Å; F32-W50 HydrophobicContact CD1-CH2 4.11Å; F32-W50 AromaticContact CD2-CH2 3.89Å; F32-W50 HydrophobicContact CD2-CH2 3.89Å; F32-W50 HydrophobicContact CD2-CZ3 4.19Å; F32-W50 AromaticContact CG-CH2 3.48Å; F32-W50 HydrophobicContact CG-CH2 3.48Å; F32-W50 VanDerWaalsContact CG-CH2 3.48Å; F32-W50 HydrophobicContact CG-CZ2 4.17Å; F32-W50 HydrophobicContact CG-CZ3 4.23Å; A48-W50 VanDerWaalsContact C-N 3.27Å; A48-W50 HydrophobicContact CB-CD2 4.2Å; A48-W50 HydrophobicContact CB-CG 4.4Å; A48-W50 HydrophobicContact CB-CZ2 3.98Å; A48-W50 PolarHBondContact O-N 3.06Å; W50-Q53 WeakPolarHBondContact O-CG 3.45Å; W50-Q53 PolarHBondContact O-NE2 2.7Å; W50-Y170 HydrophobicContact CH2-CG 4.29Å; W50-Y170 AromaticContact CZ3-CD1 3.85Å; W50-Y170 HydrophobicContact CZ3-CD1 3.85Å; W50-Y170 HydrophobicContact CZ3-CD2 4.41Å; W50-Y170 AromaticContact CZ3-CG 3.72Å; W50-Y170 HydrophobicContact CZ3-CG 3.72Å; W50-G174 VanDerWaalsContact CG-CA 3.48Å; W50-L178 HydrophobicContact CD2-CD1 4.44Å; W50-L178 HydrophobicContact CH2-CD1 4.24Å; W50-L178 HydrophobicContact CZ2-CD1 3.83Å; W50-L178 HydrophobicContact CZ2-CD2 4.02Å; W50-L178 HydrophobicContact CZ2-CG 4.29Å
51I97.9Very high97.2Very high0 Ų068.2 Ų68.20%034%0.342CS..G310 helixtrans-89.2-20.2173.1-15870.7000112F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CD2-CD1 3.9Å; F32-I51 HydrophobicContact CD2-CG1 4.03Å; F32-I51 HydrophobicContact CE2-CD1 4.28Å; F32-I51 WeakPolarHBondContact O-CG2 3.37Å; V33-I51 HydrophobicContact CG1-CG1 4.41Å; P46-I51 HydrophobicContact CB-CG2 3.53Å; A48-I51 VanDerWaalsContact O-CG2 3.32Å; A48-I51 WeakPolarHBondContact O-CG2 3.37Å; A48-I51 PolarHBondContact O-N 3.02Å; P49-I51 PolarHBondContact O-N 3.38Å; I51-Q53 PolarHBondContact O-N 3.46Å; I51-Q53 VanDerWaalsContact O-N 3.17Å; I51-E54 HydrophobicContact CD1-CG 3.78Å; I51-E54 HydrophobicContact CG1-CG 4.17Å; I51-E54 WeakPolarHBondContact O-CB 3.42Å; I51-E54 WeakPolarHBondContact O-CG 3.49Å; I51-E54 PolarHBondContact O-N 2.83Å; I51-Y58 HydrophobicContact CD1-CE1 4.31Å; I51-Y58 HydrophobicContact CG1-CE1 4.18Å; I51-W59 HydrophobicContact CG1-CH2 3.95Å; I51-W59 HydrophobicContact CG1-CZ2 4.17Å; I51-W59 HydrophobicContact CG2-CH2 3.73Å; I51-W59 HydrophobicContact CG2-CZ2 4.07Å; I51-W59 WeakPolarHBondContact O-CZ2 3.28Å; I51-Y170 HydrophobicContact CD1-CD1 3.71Å; I51-Y170 HydrophobicContact CD1-CE1 3.25Å
52E96.9Very high97.4Very high124 Ų12466.5 Ų66.558%0.57933%0.328SS*.THydrogen-bonded Turntrans-64.6-23.7-174.8-65.1-178.8-171.600113.1P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.76Å; P46-E52 HydrophobicContact CG-CG 4.04Å; P49-E52 WeakPolarHBondContact O-CB 3.48Å; P49-E52 PolarHBondContact O-N 3.43Å; P49-E52 VanDerWaalsContact O-N 3.14Å; E52-E54 PolarHBondContact O-N 3.01Å
53Q95.6Very high97.5Very high123 Ų12363 Ų6358%0.57531%0.313SS*.THydrogen-bonded Turntrans-70.1-11.6174.465.4-178.7-25.200114.2W50 I51 N173W50-Q53 WeakPolarHBondContact O-CG 3.45Å; W50-Q53 PolarHBondContact O-NE2 2.7Å; I51-Q53 PolarHBondContact O-N 3.46Å; I51-Q53 VanDerWaalsContact O-N 3.17Å; Q53-N173 PolarHBondContact NE2-ND2 3.24Å
54E97.5Very high97.6Very high10 Ų1063.3 Ų63.35%0.04731%0.314CS..SBendtrans-66.6136.8175.3-66.5-62.9163.800110.7I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.78Å; I51-E54 HydrophobicContact CG1-CG 4.17Å; I51-E54 WeakPolarHBondContact O-CB 3.42Å; I51-E54 WeakPolarHBondContact O-CG 3.49Å; I51-E54 PolarHBondContact O-N 2.83Å; E52-E54 PolarHBondContact O-N 3.01Å; E54-Y58 HydrophobicContact CB-CD1 3.62Å; E54-Y58 HydrophobicContact CB-CD2 4.45Å; E54-Y58 HydrophobicContact CB-CE1 4.27Å; E54-Y58 HydrophobicContact CB-CG 3.73Å; E54-Y58 HydrophobicContact CG-CD1 4.11Å; E54-Y58 HydrophobicContact CG-CD2 4.39Å; E54-Y58 HydrophobicContact CG-CE1 4.36Å; E54-Y58 HydrophobicContact CG-CG 4.13Å; E54-W59 PolarHBondContact O-NE1 2.88Å; E54-R169 IonicContact OE1-CZ 2.82Å; E54-R169 IonicContact OE1-NE 2.75Å; E54-R169 PolarHBondContact OE1-NE 3.16Å; E54-R169 IonicContact OE1-NH2 3.38Å; E54-R169 PolarHBondContact OE1-NH2 3.18Å; E54-R169 IonicContact OE2-CZ 3.93Å; E54-R169 IonicContact OE2-NE 3.46Å; E54-R169 PolarHBondContact OE2-NE 3.46Å; E54-R169 IonicContact OE2-NH2 3.73Å; E54-R169 PolarHBondContact OE2-NH2 3.12Å; E54-N173 PolarHBondContact OE1-ND2 3.14Å
55G97.2Very high97.5Very high35 Ų3566.8 Ų66.836%0.36133%0.333SS..  trans-72.7168.5-174.300000114.2E57 Y58G55-E57 PolarHBondContact O-N 3.19Å; G55-E57 VanDerWaalsContact O-N 3.13Å; G55-Y58 VanDerWaalsContact O-CB 3.31Å; G55-Y58 WeakPolarHBondContact O-CB 3.2Å; G55-Y58 PolarHBondContact O-N 3.17Å
56P97.5Very high97.5Very high99 Ų9964 Ų6464%0.64332%0.32SS*.Hα-helixtrans-52.1-37.4-179.4-28.835.2000114.7Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.26Å; P56-Y58 PolarHBondContact O-N 2.71Å; P56-W59 PolarHBondContact O-N 3.46Å; P56-W59 VanDerWaalsContact O-N 3.12Å; P56-D60 WeakPolarHBondContact O-CB 3.39Å; P56-D60 PolarHBondContact O-N 3.16Å
57E97.9Very high97.5Very high171 Ų17165.8 Ų65.880%0.79932%0.323SS*.Hα-helixtrans-59.4-35.9178.1-64.5-176.9176.900112.9G55 R61G55-E57 PolarHBondContact O-N 3.19Å; G55-E57 VanDerWaalsContact O-N 3.13Å; E57-R61 WeakPolarHBondContact O-CB 3.18Å; E57-R61 PolarHBondContact O-N 3.38Å
58Y97.9Very high97.6Very high9 Ų963.5 Ų63.54%0.03533%0.326CS..Hα-helixtrans-63.5-50.2174.9173.3-92.9000110.3I51 E54 G55 P56 R61 N62 W166 Y170I51-Y58 HydrophobicContact CD1-CE1 4.31Å; I51-Y58 HydrophobicContact CG1-CE1 4.18Å; E54-Y58 HydrophobicContact CB-CD1 3.62Å; E54-Y58 HydrophobicContact CB-CD2 4.45Å; E54-Y58 HydrophobicContact CB-CE1 4.27Å; E54-Y58 HydrophobicContact CB-CG 3.73Å; E54-Y58 HydrophobicContact CG-CD1 4.11Å; E54-Y58 HydrophobicContact CG-CD2 4.39Å; E54-Y58 HydrophobicContact CG-CE1 4.36Å; E54-Y58 HydrophobicContact CG-CG 4.13Å; G55-Y58 VanDerWaalsContact O-CB 3.31Å; G55-Y58 WeakPolarHBondContact O-CB 3.2Å; G55-Y58 PolarHBondContact O-N 3.17Å; P56-Y58 VanDerWaalsContact C-N 3.26Å; P56-Y58 PolarHBondContact O-N 2.71Å; Y58-R61 PolarHBondContact O-N 2.97Å; Y58-N62 WeakPolarHBondContact CD2-ND2 3.4Å; Y58-N62 WeakPolarHBondContact CE1-ND2 3.02Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.33Å; Y58-N62 WeakPolarHBondContact O-CB 3.42Å; Y58-N62 PolarHBondContact O-N 2.89Å; Y58-N62 PolarHBondContact O-ND2 3.04Å; Y58-W166 AromaticContact CD2-CH2 3.62Å; Y58-W166 HydrophobicContact CD2-CH2 3.62Å; Y58-W166 HydrophobicContact CD2-CZ2 4.34Å; Y58-W166 AromaticContact CD2-CZ3 3.77Å; Y58-W166 HydrophobicContact CD2-CZ3 3.77Å; Y58-W166 HydrophobicContact CE2-CE3 4.19Å; Y58-W166 AromaticContact CE2-CH2 4Å; Y58-W166 HydrophobicContact CE2-CH2 4Å; Y58-W166 AromaticContact CE2-CZ3 3.76Å; Y58-W166 HydrophobicContact CE2-CZ3 3.76Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.35Å; Y58-Y170 VanDerWaalsContact CZ-OH 3.26Å; Y58-Y170 PolarHBondContact OH-OH 3.21Å
59W98.4Very high97.7Very high40 Ų4065 Ų6515%0.15233%0.333CS..Hα-helixtrans-65.4-41.9-177.5-64.3111000112.3V33 M44 P46 I51 E54 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.13Å; V33-W59 HydrophobicContact CG1-CZ3 3.96Å; M44-W59 HydrophobicContact CB-CE3 4.24Å; M44-W59 HydrophobicContact CG-CE3 4.15Å; M44-W59 HydrophobicContact CG-CZ3 3.96Å; P46-W59 HydrophobicContact CB-CH2 3.67Å; P46-W59 HydrophobicContact CB-CZ2 4.07Å; P46-W59 HydrophobicContact CG-CH2 4.29Å; I51-W59 HydrophobicContact CG1-CH2 3.95Å; I51-W59 HydrophobicContact CG1-CZ2 4.17Å; I51-W59 HydrophobicContact CG2-CH2 3.73Å; I51-W59 HydrophobicContact CG2-CZ2 4.07Å; I51-W59 WeakPolarHBondContact O-CZ2 3.28Å; E54-W59 PolarHBondContact O-NE1 2.88Å; P56-W59 PolarHBondContact O-N 3.46Å; P56-W59 VanDerWaalsContact O-N 3.12Å; W59-T63 VanDerWaalsContact O-CB 3.22Å; W59-T63 WeakPolarHBondContact O-CB 2.94Å; W59-T63 PolarHBondContact O-N 3.37Å; W59-T63 PolarHBondContact O-OG1 2.89Å
60D98.3Very high97.8Very high85 Ų8561 Ų6146%0.45531%0.306SS..Hα-helixtrans-66.1-44.8177.5-75.6-20.3000111.6P56 T63 R64P56-D60 WeakPolarHBondContact O-CB 3.39Å; P56-D60 PolarHBondContact O-N 3.16Å; D60-T63 PolarHBondContact O-N 2.95Å; D60-R64 WeakPolarHBondContact O-CB 3.39Å; D60-R64 PolarHBondContact O-N 3.26Å
61R98Very high97.8Very high97 Ų9765.2 Ų65.237%0.36633%0.327SS..Hα-helixtrans-62.9-48.4177.2-174.4-174.567.2-163.4-3.5111.4E57 Y58 T63 R64 N65E57-R61 WeakPolarHBondContact O-CB 3.18Å; E57-R61 PolarHBondContact O-N 3.38Å; Y58-R61 PolarHBondContact O-N 2.97Å; R61-T63 PolarHBondContact O-N 3.01Å; R61-R64 PolarHBondContact O-N 2.91Å; R61-N65 PolarHBondContact O-N 2.62Å; R61-N65 PolarHBondContact O-OD1 2.79Å
62N97.9Very high97.8Very high17 Ų1768.3 Ų68.39%0.09135%0.346CS..Hα-helixtrans-65.7-39.6-179.9-76.9-74.2000111.8M44 Y58 R64 N65 V66M44-N62 HydrophobicContact CB-CB 4.27Å; M44-N62 HydrophobicContact CE-CB 4.32Å; M44-N62 HydrophobicContact CG-CB 4.2Å; Y58-N62 WeakPolarHBondContact CD2-ND2 3.4Å; Y58-N62 WeakPolarHBondContact CE1-ND2 3.02Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.33Å; Y58-N62 WeakPolarHBondContact O-CB 3.42Å; Y58-N62 PolarHBondContact O-N 2.89Å; Y58-N62 PolarHBondContact O-ND2 3.04Å; N62-R64 VanDerWaalsContact C-N 3.35Å; N62-R64 PolarHBondContact O-N 2.92Å; N62-N65 PolarHBondContact O-N 3.02Å; N62-V66 WeakPolarHBondContact O-CG2 3.29Å; N62-V66 PolarHBondContact O-N 3.47Å
63T98.6Very high97.9Very high13 Ų1362.4 Ų62.48%0.0832%0.319CS..Hα-helixtrans-60.1-44.5173.7-62.60000111.4R43 M44 W59 D60 R61 N65 V66 K67R43-T63 HydrophobicContact CB-CG2 4.5Å; R43-T63 HydrophobicContact CG-CG2 4.12Å; M44-T63 PolarHBondContact N-OG1 2.93Å; W59-T63 VanDerWaalsContact O-CB 3.22Å; W59-T63 WeakPolarHBondContact O-CB 2.94Å; W59-T63 PolarHBondContact O-N 3.37Å; W59-T63 PolarHBondContact O-OG1 2.89Å; D60-T63 PolarHBondContact O-N 2.95Å; R61-T63 PolarHBondContact O-N 3.01Å; T63-N65 VanDerWaalsContact C-N 3.35Å; T63-N65 PolarHBondContact O-N 2.77Å; T63-V66 WeakPolarHBondContact O-CG2 3.26Å; T63-K67 HydrophobicContact CG2-CD 4.26Å; T63-K67 WeakPolarHBondContact O-CB 3.48Å; T63-K67 WeakPolarHBondContact O-CG 3.24Å; T63-K67 PolarHBondContact O-N 2.8Å
64R98.4Very high97.9Very high160 Ų16061.7 Ų61.760%0.60431%0.311SS*.Hα-helixtrans-61.3-44.3176.8-170.6-175.6-59.11143.3111.5D60 R61 N62 K67 A68D60-R64 WeakPolarHBondContact O-CB 3.39Å; D60-R64 PolarHBondContact O-N 3.26Å; R61-R64 PolarHBondContact O-N 2.91Å; N62-R64 VanDerWaalsContact C-N 3.35Å; N62-R64 PolarHBondContact O-N 2.92Å; R64-K67 PolarHBondContact O-N 3.09Å; R64-A68 WeakPolarHBondContact O-CB 3.37Å; R64-A68 PolarHBondContact O-N 3.31Å
65N97.6Very high97.9Very high85 Ų8565.5 Ų65.546%0.45533%0.334SS..Hα-helixtrans-62.4-47.8-179.3-68.7-3.8000111.8R61 N62 T63 K67 A68 Q69R61-N65 PolarHBondContact O-N 2.62Å; R61-N65 PolarHBondContact O-OD1 2.79Å; N62-N65 PolarHBondContact O-N 3.02Å; T63-N65 VanDerWaalsContact C-N 3.35Å; T63-N65 PolarHBondContact O-N 2.77Å; N65-K67 PolarHBondContact O-N 2.97Å; N65-A68 PolarHBondContact O-N 2.94Å; N65-Q69 PolarHBondContact O-N 3.1Å
66V98.1Very high98Very high2 Ų266.7 Ų66.71%0.01233%0.332CS..Hα-helixtrans-69.8-31.4179.1-640000113.1F21 A23 F35 M44 N62 T63 Q69 S70F21-V66 HydrophobicContact CE1-CB 4.04Å; A23-V66 HydrophobicContact CB-CG1 4.15Å; F35-V66 HydrophobicContact CB-CG2 4.02Å; F35-V66 HydrophobicContact CD1-CG2 4.13Å; F35-V66 HydrophobicContact CD2-CG2 3.38Å; F35-V66 HydrophobicContact CE1-CG2 4.47Å; F35-V66 HydrophobicContact CE2-CG2 3.77Å; F35-V66 HydrophobicContact CG-CB 4.3Å; F35-V66 HydrophobicContact CG-CG2 3.58Å; F35-V66 HydrophobicContact CZ-CG2 4.31Å; M44-V66 HydrophobicContact CE-CB 4.39Å; M44-V66 HydrophobicContact CE-CG1 3.35Å; M44-V66 HydrophobicContact CE-CG2 4.21Å; N62-V66 WeakPolarHBondContact O-CG2 3.29Å; N62-V66 PolarHBondContact O-N 3.47Å; T63-V66 WeakPolarHBondContact O-CG2 3.26Å; V66-Q69 PolarHBondContact O-N 3.38Å; V66-S70 WeakPolarHBondContact O-CB 3.03Å; V66-S70 PolarHBondContact O-N 3.03Å
67K98.3Very high98Very high82 Ų8262.4 Ų62.436%0.35730%0.304SS..Hα-helixtrans-66.3-41.9171.3-76-171.7179.9-1700111.9F35 Q42 T63 R64 N65 S70 Q71F35-K67 HydrophobicContact CE2-CG 4.16Å; F35-K67 HydrophobicContact CZ-CG 4.03Å; Q42-K67 WeakPolarHBondContact O-CE 3.13Å; Q42-K67 PolarHBondContact O-NZ 3.28Å; Q42-K67 VanDerWaalsContact O-NZ 3.12Å; T63-K67 HydrophobicContact CG2-CD 4.26Å; T63-K67 WeakPolarHBondContact O-CB 3.48Å; T63-K67 WeakPolarHBondContact O-CG 3.24Å; T63-K67 PolarHBondContact O-N 2.8Å; R64-K67 PolarHBondContact O-N 3.09Å; N65-K67 PolarHBondContact O-N 2.97Å; K67-S70 PolarHBondContact O-N 3.36Å; K67-Q71 WeakPolarHBondContact O-CG 3.21Å; K67-Q71 PolarHBondContact O-N 2.89Å; K67-Q71 VanDerWaalsContact O-N 3.17Å
68A98.3Very high97.9Very high55 Ų5556 Ų5646%0.45528%0.284SS..Hα-helixtrans-61.6-45.8174.900000110.9R64 N65 S70 Q71 T72R64-A68 WeakPolarHBondContact O-CB 3.37Å; R64-A68 PolarHBondContact O-N 3.31Å; N65-A68 PolarHBondContact O-N 2.94Å; A68-S70 PolarHBondContact O-N 2.94Å; A68-Q71 PolarHBondContact O-N 2.89Å; A68-Q71 VanDerWaalsContact O-N 3.15Å; A68-T72 PolarHBondContact O-N 3.39Å; A68-T72 PolarHBondContact O-OG1 3.46Å
69Q98.1Very high97.8Very high38 Ų3857.9 Ų57.918%0.17830%0.296CS..Hα-helixtrans-61.3-42.2175.8-171.763.550.800112.4Y8 F21 N65 V66 Q71 T72 D73Y8-Q69 HydrophobicContact CD2-CG 3.62Å; Y8-Q69 HydrophobicContact CE2-CB 4.29Å; Y8-Q69 HydrophobicContact CE2-CG 3.76Å; F21-Q69 HydrophobicContact CE2-CB 4.36Å; F21-Q69 HydrophobicContact CE2-CG 3.97Å; F21-Q69 HydrophobicContact CZ-CB 4.24Å; F21-Q69 HydrophobicContact CZ-CG 4.14Å; N65-Q69 PolarHBondContact O-N 3.1Å; V66-Q69 PolarHBondContact O-N 3.38Å; Q69-Q71 PolarHBondContact O-N 3.38Å; Q69-T72 WeakPolarHBondContact O-CB 3.12Å; Q69-T72 PolarHBondContact O-N 2.74Å; Q69-T72 VanDerWaalsContact O-N 3.07Å; Q69-D73 PolarHBondContact NE2-OD1 2.91Å; Q69-D73 PolarHBondContact O-N 3.1Å
70S97.9Very high97.8Very high19 Ų1956.5 Ų56.513%0.13329%0.292CS..Hα-helixtrans-57.8-35175.6170.90000112.8F21 V66 K67 A68 R74F21-S70 WeakPolarHBondContact CB-OG 3.33Å; V66-S70 WeakPolarHBondContact O-CB 3.03Å; V66-S70 PolarHBondContact O-N 3.03Å; K67-S70 PolarHBondContact O-N 3.36Å; A68-S70 PolarHBondContact O-N 2.94Å; S70-R74 WeakPolarHBondContact O-CB 3.41Å; S70-R74 PolarHBondContact O-N 2.88Å
71Q97.9Very high97.7Very high105 Ų10555.7 Ų55.749%0.49128%0.282SS..Hα-helixtrans-73.4-38.8174.3-63.4-55-52.300112.2K67 A68 Q69 R74 V75K67-Q71 WeakPolarHBondContact O-CG 3.21Å; K67-Q71 PolarHBondContact O-N 2.89Å; K67-Q71 VanDerWaalsContact O-N 3.17Å; A68-Q71 PolarHBondContact O-N 2.89Å; A68-Q71 VanDerWaalsContact O-N 3.15Å; Q69-Q71 PolarHBondContact O-N 3.38Å; Q71-R74 WeakPolarHBondContact O-CB 3.19Å; Q71-R74 PolarHBondContact O-N 3.18Å; Q71-V75 PolarHBondContact O-N 2.85Å
72T97.9Very high97.6Very high65 Ų6553.1 Ų53.140%0.39929%0.286SS..Hα-helixtrans-58.7-52172.8-580000110.8A68 Q69 R74 V75 D76A68-T72 PolarHBondContact O-N 3.39Å; A68-T72 PolarHBondContact O-OG1 3.46Å; Q69-T72 WeakPolarHBondContact O-CB 3.12Å; Q69-T72 PolarHBondContact O-N 2.74Å; Q69-T72 VanDerWaalsContact O-N 3.07Å; T72-R74 VanDerWaalsContact C-N 3.26Å; T72-R74 PolarHBondContact O-N 2.86Å; T72-V75 PolarHBondContact O-N 2.91Å; T72-D76 WeakPolarHBondContact CG2-OD2 3.47Å; T72-D76 PolarHBondContact O-N 3.16Å
73D97.8Very high97.5Very high1 Ų155.5 Ų55.51%0.00529%0.294CS..Hα-helixtrans-60-35.8-179.9-75.720000112.4S10 F21 Q69 V75 D76 L77S10-D73 WeakPolarHBondContact CB-OD2 3.41Å; S10-D73 WeakPolarHBondContact OG-CB 3.38Å; S10-D73 VanDerWaalsContact OG-CG 3.3Å; S10-D73 PolarHBondContact OG-OD2 3.05Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.28Å; Q69-D73 PolarHBondContact NE2-OD1 2.91Å; Q69-D73 PolarHBondContact O-N 3.1Å; D73-V75 VanDerWaalsContact C-N 3.35Å; D73-D76 PolarHBondContact O-N 2.86Å; D73-L77 WeakPolarHBondContact O-CB 3.42Å; D73-L77 VanDerWaalsContact O-CG 3.28Å; D73-L77 WeakPolarHBondContact O-CG 3.36Å; D73-L77 PolarHBondContact O-N 3.27Å
74R97.1Very high97.5Very high108 Ų10858 Ų5841%0.40830%0.303SS..Hα-helixtrans-60.8-43.8174.5169.5-166.5147.8148.3-7.6111.6E18 P19 S70 Q71 T72E18-R74 IonicContact OE1-CZ 3.69Å; E18-R74 IonicContact OE1-NH1 3.57Å; E18-R74 PolarHBondContact OE1-NH1 3.12Å; E18-R74 WeakPolarHBondContact OE2-CD 3.49Å; E18-R74 IonicContact OE2-CZ 2.75Å; E18-R74 IonicContact OE2-NE 3.67Å; E18-R74 IonicContact OE2-NH1 3.87Å; E18-R74 PolarHBondContact OE2-NH1 3Å; P19-R74 HydrophobicContact CG-CB 4.34Å; P19-R74 HydrophobicContact CG-CG 4.3Å; S70-R74 WeakPolarHBondContact O-CB 3.41Å; S70-R74 PolarHBondContact O-N 2.88Å; Q71-R74 WeakPolarHBondContact O-CB 3.19Å; Q71-R74 PolarHBondContact O-N 3.18Å; T72-R74 VanDerWaalsContact C-N 3.26Å; T72-R74 PolarHBondContact O-N 2.86Å
75V97.5Very high97.3Very high90 Ų9057.8 Ų57.855%0.54531%0.313SS..Hα-helixtrans-69.7-40.7176.8175.40000110.5Q71 T72 D73 L77 G78 T79Q71-V75 PolarHBondContact O-N 2.85Å; T72-V75 PolarHBondContact O-N 2.91Å; D73-V75 VanDerWaalsContact C-N 3.35Å; V75-L77 VanDerWaalsContact C-N 3.35Å; V75-L77 PolarHBondContact O-N 3.42Å; V75-G78 PolarHBondContact O-N 2.85Å; V75-T79 PolarHBondContact O-N 3.05Å; V75-T79 PolarHBondContact O-OG1 3.46Å; V75-T79 VanDerWaalsContact O-OG1 3.04Å
76D97.8Very high97.3Very high59 Ų5956.5 Ų56.532%0.31631%0.305SS..Hα-helixtrans-65.9-36.5179.8-71.5-16.7000111.8T72 D73 G78 T79 L80 I94T72-D76 WeakPolarHBondContact CG2-OD2 3.47Å; T72-D76 PolarHBondContact O-N 3.16Å; D73-D76 PolarHBondContact O-N 2.86Å; D76-G78 VanDerWaalsContact C-N 3.27Å; D76-G78 PolarHBondContact O-N 2.86Å; D76-T79 PolarHBondContact O-N 2.9Å; D76-T79 VanDerWaalsContact O-N 3.09Å; D76-L80 WeakPolarHBondContact O-CB 3.34Å; D76-L80 VanDerWaalsContact O-CG 3.31Å; D76-L80 WeakPolarHBondContact O-CG 3.49Å; D76-L80 PolarHBondContact O-N 2.86Å; D76-I94 HydrophobicContact CB-CD1 3.64Å
77L97.6Very high97.1Very high10 Ų1060.1 Ų60.15%0.05233%0.33CS..Hα-helixtrans-57.2-40.7173.6-82.7165000111.8P19 D73 V75 R81 H92 I94 Y117P19-L77 HydrophobicContact CB-CD1 3.58Å; P19-L77 HydrophobicContact CG-CD1 3.62Å; D73-L77 WeakPolarHBondContact O-CB 3.42Å; D73-L77 VanDerWaalsContact O-CG 3.28Å; D73-L77 WeakPolarHBondContact O-CG 3.36Å; D73-L77 PolarHBondContact O-N 3.27Å; V75-L77 VanDerWaalsContact C-N 3.35Å; V75-L77 PolarHBondContact O-N 3.42Å; L77-R81 VanDerWaalsContact O-CB 3.28Å; L77-R81 WeakPolarHBondContact O-CB 3.44Å; L77-R81 PolarHBondContact O-N 3.11Å; L77-H92 HydrophobicContact CD2-CB 4.05Å; L77-I94 HydrophobicContact CB-CD1 4.39Å; L77-I94 HydrophobicContact CD2-CD1 4.02Å; L77-I94 HydrophobicContact CD2-CG1 3.8Å; L77-I94 HydrophobicContact CG-CD1 3.74Å; L77-I94 HydrophobicContact CG-CG1 4.06Å; L77-Y117 HydrophobicContact CD2-CE2 4.35Å
78G95.6Very high96.7Very high36 Ų3662.7 Ų62.737%0.37134%0.343SS..Hα-helixtrans-70.3-39.6174.800000112.7V75 D76 G82V75-G78 PolarHBondContact O-N 2.85Å; D76-G78 VanDerWaalsContact C-N 3.27Å; D76-G78 PolarHBondContact O-N 2.86Å; G78-G82 PolarHBondContact O-N 3.41Å
79T97.1Very high96.4Very high48 Ų4864.2 Ų64.229%0.29436%0.356SS..Hα-helixtrans-65.5-49.4179.4-59.20000111.7V75 D76 G82 Y83V75-T79 PolarHBondContact O-N 3.05Å; V75-T79 PolarHBondContact O-OG1 3.46Å; V75-T79 VanDerWaalsContact O-OG1 3.04Å; D76-T79 PolarHBondContact O-N 2.9Å; D76-T79 VanDerWaalsContact O-N 3.09Å; T79-G82 WeakPolarHBondContact O-CA 3.29Å; T79-G82 PolarHBondContact O-N 3.35Å; T79-G82 VanDerWaalsContact O-N 3.12Å; T79-Y83 HydrophobicContact CG2-CD1 4.42Å; T79-Y83 HydrophobicContact CG2-CD2 4.45Å; T79-Y83 HydrophobicContact CG2-CE1 3.84Å; T79-Y83 HydrophobicContact CG2-CE2 3.87Å; T79-Y83 PolarHBondContact O-N 3.04Å
80L97.6Very high96.1Very high12 Ų1263.5 Ų63.56%0.06336%0.358CS..Hα-helixtrans-63.3-43.7179.7-68175.9000111.1D76 G82 Y83 Y84 I94 Y117 Y122D76-L80 WeakPolarHBondContact O-CB 3.34Å; D76-L80 VanDerWaalsContact O-CG 3.31Å; D76-L80 WeakPolarHBondContact O-CG 3.49Å; D76-L80 PolarHBondContact O-N 2.86Å; L80-G82 PolarHBondContact O-N 2.8Å; L80-Y83 HydrophobicContact CD2-CD2 4.25Å; L80-Y83 PolarHBondContact O-N 3.01Å; L80-Y84 HydrophobicContact CD2-CE2 4.42Å; L80-Y84 VanDerWaalsContact O-CD2 3.22Å; L80-Y84 WeakPolarHBondContact O-CD2 3.39Å; L80-Y84 PolarHBondContact O-N 2.87Å; L80-I94 HydrophobicContact CD1-CD1 3.57Å; L80-I94 HydrophobicContact CD1-CG1 3.71Å; L80-Y117 HydrophobicContact CB-CD1 4.39Å; L80-Y117 HydrophobicContact CB-CD2 4.16Å; L80-Y117 HydrophobicContact CB-CE1 4.04Å; L80-Y117 HydrophobicContact CB-CE2 3.8Å; L80-Y117 HydrophobicContact CB-CG 4.43Å; L80-Y117 HydrophobicContact CD1-CD2 3.45Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.45Å; L80-Y117 HydrophobicContact CD1-CE2 3.84Å; L80-Y117 HydrophobicContact CD1-CG 3.85Å; L80-Y117 HydrophobicContact CG-CD2 4.43Å; L80-Y117 HydrophobicContact CG-CE2 4.49Å; L80-Y122 HydrophobicContact CD2-CD2 4.32Å; L80-Y122 HydrophobicContact CD2-CE1 3.83Å; L80-Y122 HydrophobicContact CD2-CE2 3.56Å; L80-Y122 VanDerWaalsContact CD2-OH 3.28Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.47Å
81R96.3Very high96.1Very high68 Ų6866 Ų6626%0.25738%0.376SS..Hα-helixtrans-53.2-41.4173.3-174-174.367.5176.811.1111.8L77 N85 Q86 E88L77-R81 VanDerWaalsContact O-CB 3.28Å; L77-R81 WeakPolarHBondContact O-CB 3.44Å; L77-R81 PolarHBondContact O-N 3.11Å; R81-N85 PolarHBondContact O-N 2.03Å; R81-N85 VanDerWaalsContact O-N 3.13Å; R81-Q86 HydrophobicContact CG-CB 3.81Å; R81-Q86 WeakPolarHBondContact CG-O 3.41Å; R81-Q86 PolarHBondContact O-N 2.94Å; R81-E88 IonicContact CZ-OE1 3.05Å; R81-E88 IonicContact NH1-OE1 3.68Å; R81-E88 IonicContact NH2-OE1 2.7Å; R81-E88 PolarHBondContact NH2-OE1 3.41Å
82G95.9Very high96.1Very high43 Ų4361.8 Ų61.844%0.44336%0.356SS..Hα-helixtrans-65.5-46.7174.700000113.1G78 T79 L80 Y84 N85G78-G82 PolarHBondContact O-N 3.41Å; T79-G82 WeakPolarHBondContact O-CA 3.29Å; T79-G82 PolarHBondContact O-N 3.35Å; T79-G82 VanDerWaalsContact O-N 3.12Å; L80-G82 PolarHBondContact O-N 2.8Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 2.9Å; G82-N85 PolarHBondContact O-N 2.81Å; G82-N85 VanDerWaalsContact O-N 3.14Å; G82-N85 PolarHBondContact O-OD1 2.93Å
83Y96.9Very high96.1Very high66 Ų6660.2 Ų60.226%0.25935%0.347SS..Hα-helixtrans-60.2-36.2178.3-68.3-8.4000112.9T79 L80 A138 T141 K145T79-Y83 HydrophobicContact CG2-CD1 4.42Å; T79-Y83 HydrophobicContact CG2-CD2 4.45Å; T79-Y83 HydrophobicContact CG2-CE1 3.84Å; T79-Y83 HydrophobicContact CG2-CE2 3.87Å; T79-Y83 PolarHBondContact O-N 3.04Å; L80-Y83 HydrophobicContact CD2-CD2 4.25Å; L80-Y83 PolarHBondContact O-N 3.01Å; Y83-A138 HydrophobicContact CD2-CB 4.44Å; Y83-T141 HydrophobicContact CE1-CG2 4.32Å; Y83-T141 HydrophobicContact CE2-CG2 4.12Å; Y83-K145 PolarHBondContact OH-NZ 3.14Å
84Y97.1Very high96.2Very high67 Ų6760.6 Ų60.626%0.26335%0.349SS..THydrogen-bonded Turntrans-91.53.7179.4-69.1-71.9000114L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.42Å; L80-Y84 VanDerWaalsContact O-CD2 3.22Å; L80-Y84 WeakPolarHBondContact O-CD2 3.39Å; L80-Y84 PolarHBondContact O-N 2.87Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 2.9Å; Y84-Q86 PolarHBondContact O-N 3.29Å; Y84-Y117 AromaticContact CD2-CD1 3.7Å; Y84-Y117 HydrophobicContact CD2-CD1 3.7Å; Y84-Y117 AromaticContact CD2-CE1 3.5Å; Y84-Y117 HydrophobicContact CD2-CE1 3.5Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.5Å; Y84-Y117 AromaticContact CE2-CD1 3.51Å; Y84-Y117 HydrophobicContact CE2-CD1 3.51Å; Y84-Y117 AromaticContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CG 4.46Å; Y84-Y117 HydrophobicContact CG-CE1 4.37Å; Y84-Y122 HydrophobicContact CE2-CD2 4.41Å; Y84-Y122 HydrophobicContact CE2-CE2 4.11Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.32Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.38Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.27Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.22Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.48Å; Y84-D136 VanDerWaalsContact OH-CG 3.24Å; Y84-D136 PolarHBondContact OH-OD1 2.88Å; Y84-D136 PolarHBondContact OH-OD2 2.87Å; Y84-A138 HydrophobicContact CD1-CB 4.22Å; Y84-A138 HydrophobicContact CD2-CB 4.48Å; Y84-A138 HydrophobicContact CE1-CB 3.65Å; Y84-A138 HydrophobicContact CE2-CB 3.93Å; Y84-A138 VanDerWaalsContact CZ-CB 3.48Å
85N96Very high96.3Very high155 Ų15559.2 Ų59.283%0.82935%0.347SS*.THydrogen-bonded Turntrans51.840.6-177.5-58.6-57.8000113.2R81 G82R81-N85 PolarHBondContact O-N 2.03Å; R81-N85 VanDerWaalsContact O-N 3.13Å; G82-N85 PolarHBondContact O-N 2.81Å; G82-N85 VanDerWaalsContact O-N 3.14Å; G82-N85 PolarHBondContact O-OD1 2.93Å
86Q96.4Very high96.3Very high58 Ų5855.3 Ų55.327%0.27132%0.323SS..  trans-89.2152.1-176.5-70.8165.8-35.100111.9R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.81Å; R81-Q86 WeakPolarHBondContact CG-O 3.41Å; R81-Q86 PolarHBondContact O-N 2.94Å; Y84-Q86 PolarHBondContact O-N 3.29Å; Q86-H92 PolarHBondContact NE2-CE1 2.88Å; Q86-H92 PolarHBondContact OE1-CE1 2.86Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.26Å; Q86-Y117 PolarHBondContact OE1-OH 3.48Å; Q86-D118 PolarHBondContact NE2-OD2 2.92Å
87S93.8Very high96.3Very high77 Ų7753.3 Ų53.354%0.53831%0.312SS..  trans-70.9152-179.174.90000113A89 G90S87-A89 PolarHBondContact O-N 2.81Å; S87-G90 PolarHBondContact O-N 2.8Å
88E90.3Very high96.4Very high136 Ų13653.8 Ų53.864%0.63631%0.313SS*.THydrogen-bonded Turntrans-69.7-19.9177.1-54.4-154.8125.700114.5P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.49Å; P14-E88 WeakPolarHBondContact CG-O 3.29Å; R81-E88 IonicContact CZ-OE1 3.05Å; R81-E88 IonicContact NH1-OE1 3.68Å; R81-E88 IonicContact NH2-OE1 2.7Å; R81-E88 PolarHBondContact NH2-OE1 3.41Å; E88-G90 VanDerWaalsContact C-N 3.29Å
89A91.6Very high96.5Very high88 Ų8852 Ų5273%0.72730%0.295SS*.THydrogen-bonded Turntrans-77.3-15.7-18000000113.1S87S87-A89 PolarHBondContact O-N 2.81Å
90G92.8Very high96.6Very high22 Ų2249.8 Ų49.823%0.22728%0.281CS..SBendtrans-76135.5-179.800000112.5P14 S87 E88 H92P14-G90 WeakPolarHBondContact CG-O 3.5Å; S87-G90 PolarHBondContact O-N 2.8Å; E88-G90 VanDerWaalsContact C-N 3.29Å; G90-H92 PolarHBondContact O-CD2 2.98Å
91S97.1Very high96.7Very high73 Ų7350.4 Ų50.451%0.5129%0.285SS..  trans-83134.3165.1-179.40000108.7S12S12-S91 WeakPolarHBondContact O-CB 3.36Å; S12-S91 PolarHBondContact O-OG 3.47Å
92H98.1Very high96.8Very high15 Ų1547.2 Ų47.27%0.06927%0.273CS..  trans-130.6152.9-174.9-64.8-73.3000110.1S12 L77 Q86 G90 Y117 D118S12-H92 PolarHBondContact N-O 2.99Å; S12-H92 PolarHBondContact OG-N 3.41Å; S12-H92 PolarHBondContact OG-O 2.9Å; L77-H92 HydrophobicContact CD2-CB 4.05Å; Q86-H92 PolarHBondContact NE2-CE1 2.88Å; Q86-H92 PolarHBondContact OE1-CE1 2.86Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.26Å; G90-H92 PolarHBondContact O-CD2 2.98Å; H92-Y117 HydrophobicContact CB-CE2 3.88Å; H92-Y117 WeakPolarHBondContact CB-OH 3.49Å; H92-Y117 VanDerWaalsContact CG-OH 3.25Å; H92-Y117 AromaticContact ND1-CZ 3.94Å; H92-Y117 PolarHBondContact ND1-OH 3.11Å; H92-D118 WeakPolarHBondContact CA-OD1 3.45Å; H92-D118 WeakPolarHBondContact CB-OD1 3.38Å; H92-D118 IonicContact CE1-OD2 3.78Å; H92-D118 IonicContact CG-OD1 2.71Å; H92-D118 IonicContact CG-OD2 3.66Å; H92-D118 IonicContact ND1-OD1 3.76Å; H92-D118 IonicContact ND1-OD2 2.72Å; H92-D118 PolarHBondContact ND1-OD2 3.33Å
93T98.6Very high96.8Very high33 Ų3345.6 Ų45.620%0.20226%0.256CS..EExtended strand (participates in β ladder)trans-126.9129.4-175.7-53.40000111.3T9 S10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 3.89Å; S10-T93 CarbonylContact O-C 3.6Å; S10-T93 VanDerWaalsContact O-CA 3.26Å; S10-T93 WeakPolarHBondContact O-CA 3.31Å; V11-T93 HydrophobicContact CG2-CG2 4.12Å; T93-Q95 HydrophobicContact CG2-CG 3.91Å; T93-Y117 CarbonylContact O-C 3.59Å; T93-Y117 WeakPolarHBondContact O-CA 3.4Å; T93-Y117 VanDerWaalsContact O-CD2 3.28Å; T93-Y117 WeakPolarHBondContact O-CD2 3.3Å; T93-D118 PolarHBondContact N-OD1 3.2Å; T93-D118 PolarHBondContact O-N 2.98Å
94I98.6Very high96.7Very high9 Ų948.2 Ų48.25%0.04628%0.284CS..EExtended strand (participates in β ladder)trans-104134.5163.6-65.2174.9000107.9T9 S10 D76 L77 L80 A116 Y117T9-I94 WeakPolarHBondContact CA-O 3.15Å; S10-I94 PolarHBondContact N-O 3.46Å; S10-I94 PolarHBondContact O-N 2.94Å; D76-I94 HydrophobicContact CB-CD1 3.64Å; L77-I94 HydrophobicContact CB-CD1 4.39Å; L77-I94 HydrophobicContact CD2-CD1 4.02Å; L77-I94 HydrophobicContact CD2-CG1 3.8Å; L77-I94 HydrophobicContact CG-CD1 3.74Å; L77-I94 HydrophobicContact CG-CG1 4.06Å; L80-I94 HydrophobicContact CD1-CD1 3.57Å; L80-I94 HydrophobicContact CD1-CG1 3.71Å; I94-A116 WeakPolarHBondContact CA-O 3.43Å; I94-Y117 HydrophobicContact CG1-CD2 3.85Å; I94-Y117 HydrophobicContact CG1-CE2 4.25Å
95Q98.8Very high96.5Very high78 Ų7849.1 Ų49.136%0.36429%0.293SS..EExtended strand (participates in β ladder)trans-124.8138172.3-60.5173.6-9400109.1Y8 T9 T93 D115 A116Y8-Q95 WeakPolarHBondContact O-CA 3.36Å; T9-Q95 HydrophobicContact CG2-CG 4.15Å; T93-Q95 HydrophobicContact CG2-CG 3.91Å; Q95-D115 CarbonylContact O-C 3.57Å; Q95-D115 VanDerWaalsContact O-CA 3.27Å; Q95-D115 WeakPolarHBondContact O-CA 3.43Å; Q95-A116 HydrophobicContact CB-CB 4.31Å; Q95-A116 PolarHBondContact N-O 2.72Å; Q95-A116 PolarHBondContact O-N 3.5Å
96M98.4Very high96.5Very high9 Ų942.3 Ų42.34%0.04426%0.26CS..EExtended strand (participates in β ladder)trans-128.7132.6178.5152.8170.4-29.100108.9F7 Y8 Y98 R113 Q114 D115F7-M96 CarbonylContact C-O 3.58Å; F7-M96 WeakPolarHBondContact CA-O 3.48Å; Y8-M96 HydrophobicContact CD2-CG 4.14Å; Y8-M96 HydrophobicContact CD2-SD 3.71Å; Y8-M96 HydrophobicContact CE2-SD 4.2Å; Y8-M96 HydrophobicContact CG-CG 4.49Å; Y8-M96 PolarHBondContact N-O 3.3Å; Y8-M96 PolarHBondContact O-N 2.94Å; M96-Y98 HydrophobicContact CG-CD1 4.08Å; M96-Y98 HydrophobicContact SD-CD1 3.91Å; M96-Y98 HydrophobicContact SD-CE1 4.29Å; M96-R113 VanDerWaalsContact CE-NH1 3.34Å; M96-R113 PolarHBondContact SD-NH1 2.99Å; M96-Q114 WeakPolarHBondContact CA-O 3.5Å; M96-D115 VanDerWaalsContact CB-OD1 3.3Å; M96-D115 WeakPolarHBondContact CB-OD1 3.42Å
97M98.7Very high96.5Very high17 Ų1747.5 Ų47.58%0.08428%0.277CS..EExtended strand (participates in β ladder)trans-123.3133166.9-172.5-79.2-70.500109.8Y6 F7 Y112 R113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.46Å; F7-M97 HydrophobicContact CD1-CB 3.95Å; F7-M97 HydrophobicContact CD1-CG 3.59Å; F7-M97 HydrophobicContact CE1-CB 4.11Å; F7-M97 HydrophobicContact CE1-CG 3.33Å; F7-M97 HydrophobicContact CG-CG 4.38Å; F7-M97 HydrophobicContact CZ-CG 3.94Å; M97-Y112 HydrophobicContact CE-CD1 4.28Å; M97-Y112 HydrophobicContact CE-CG 4.19Å; M97-R113 CarbonylContact O-C 3.49Å; M97-R113 WeakPolarHBondContact O-CA 3.27Å; M97-Q114 HydrophobicContact CB-CG 3.96Å; M97-Q114 HydrophobicContact CE-CG 3.89Å; M97-Q114 PolarHBondContact N-O 3.17Å; M97-Q114 PolarHBondContact O-N 3.23Å
98Y98.8Very high96.8Very high19 Ų1946.8 Ų46.88%0.07527%0.265CS..EExtended strand (participates in β ladder)trans-145.9159.5169.772.1-93.4000111.4R5 Y6 Y8 M96 Y112 W155 Y158R5-Y98 WeakPolarHBondContact CA-O 3.3Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.47Å; Y6-Y98 HydrophobicContact CD2-CD2 4.25Å; Y6-Y98 AromaticContact CD2-CE2 3.41Å; Y6-Y98 HydrophobicContact CD2-CE2 3.41Å; Y6-Y98 VanDerWaalsContact CD2-CE2 3.41Å; Y6-Y98 AromaticContact CD2-CZ 3.58Å; Y6-Y98 WeakPolarHBondContact CD2-OH 3.38Å; Y6-Y98 HydrophobicContact CE2-CE2 4.18Å; Y6-Y98 HydrophobicContact CG-CE1 4.29Å; Y6-Y98 AromaticContact CG-CE2 3.96Å; Y6-Y98 HydrophobicContact CG-CE2 3.96Å; Y6-Y98 AromaticContact CG-CZ 3.65Å; Y6-Y98 PolarHBondContact N-O 3Å; Y6-Y98 PolarHBondContact O-N 3.43Å; Y6-Y98 VanDerWaalsContact O-N 3.09Å; Y8-Y98 HydrophobicContact CD2-CE1 4.31Å; Y8-Y98 HydrophobicContact CE1-CE1 4.23Å; Y8-Y98 AromaticContact CE2-CE1 3.67Å; Y8-Y98 HydrophobicContact CE2-CE1 3.67Å; Y8-Y98 AromaticContact CZ-CE1 3.63Å; Y8-Y98 PolarHBondContact OH-OH 3.48Å; M96-Y98 HydrophobicContact CG-CD1 4.08Å; M96-Y98 HydrophobicContact SD-CD1 3.91Å; M96-Y98 HydrophobicContact SD-CE1 4.29Å; Y98-Y112 WeakPolarHBondContact CA-O 3.17Å; Y98-Y112 VanDerWaalsContact CB-O 3.31Å; Y98-Y112 WeakPolarHBondContact CB-O 3.26Å; Y98-W155 HydrophobicContact CD1-CH2 4.28Å; Y98-W155 HydrophobicContact CD1-CZ3 4.44Å; Y98-W155 AromaticContact CD2-CZ3 3.97Å; Y98-W155 HydrophobicContact CD2-CZ3 3.97Å; Y98-W155 HydrophobicContact CG-CH2 4.24Å; Y98-W155 AromaticContact CG-CZ3 3.94Å; Y98-W155 HydrophobicContact CG-CZ3 3.94Å; Y98-Y158 AromaticContact CD2-CE1 3.85Å; Y98-Y158 HydrophobicContact CD2-CE1 3.85Å; Y98-Y158 AromaticContact CE2-CE1 3.74Å; Y98-Y158 HydrophobicContact CE2-CE1 3.74Å; Y98-Y158 AromaticContact CE2-CZ 3.96Å
99G98.6Very high97.1Very high0 Ų045.4 Ų45.40%026%0.261CS..EExtended strand (participates in β ladder)trans160.7-176178.100000114M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.58Å; M4-G99 WeakPolarHBondContact O-CA 3.27Å; G99-G111 CarbonylContact O-C 3.55Å; G99-G111 WeakPolarHBondContact O-CA 3.49Å; G99-Y112 PolarHBondContact N-O 2.71Å; G99-Y112 WeakPolarHBondContact O-CD2 3.47Å; G99-Y112 PolarHBondContact O-N 3.27Å; G99-L159 WeakPolarHBondContact O-CD2 3.47Å
100C98.8Very high97.4Very high0 Ų045.7 Ų45.70%024%0.243CC..EExtended strand (participates in β ladder)trans-137.2152.6-175.8570000111.7S3 M4 F108 R110 C163S3-C100 WeakPolarHBondContact CA-O 3.42Å; M4-C100 PolarHBondContact N-O 3.5Å; M4-C100 PolarHBondContact O-N 2.82Å; C100-F108 HydrophobicContact CB-CD2 4.43Å; C100-F108 HydrophobicContact CB-CE2 4.18Å; C100-R110 CarbonylContact C-O 3.52Å; C100-R110 VanDerWaalsContact CA-O 3.29Å; C100-R110 WeakPolarHBondContact CA-O 3.43Å; C100-C163 HydrophobicContact CB-CB 3.89Å; C100-C163 WeakPolarHBondContact CB-SG 3.45Å; C100-C163 PolarHBondContact N-SG 2.86Å; C100-C163 WeakPolarHBondContact SG-CB 3.33Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.92Å
101D98.6Very high97.7Very high26 Ų2644.9 Ų44.914%0.13924%0.235CC..EExtended strand (participates in β ladder)trans-113.1143.3173.5-60.1-13.1000109.9H2 S3 R5 L109 R110 Y112H2-D101 CarbonylContact O-C 3.53Å; H2-D101 WeakPolarHBondContact O-CA 3.44Å; S3-D101 WeakPolarHBondContact CB-OD1 3.34Å; R5-D101 IonicContact CZ-OD1 3.64Å; R5-D101 IonicContact NE-OD1 3.33Å; R5-D101 PolarHBondContact NE-OD1 3.07Å; R5-D101 VanDerWaalsContact NH2-CG 3.32Å; R5-D101 IonicContact NH2-OD1 2.82Å; R5-D101 PolarHBondContact NH2-OD1 3.4Å; R5-D101 IonicContact NH2-OD2 3.69Å; R5-D101 PolarHBondContact NH2-OD2 2.9Å; R5-D101 VanDerWaalsContact NH2-OD2 3.12Å; D101-L109 HydrophobicContact CB-CB 4.34Å; D101-L109 PolarHBondContact O-N 3.45Å; D101-R110 HydrophobicContact CB-CB 4.4Å; D101-R110 PolarHBondContact N-O 2.61Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.16Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.31Å; D101-Y112 PolarHBondContact OD2-OH 2.88Å
102V98.4Very high97.7Very high1 Ų143.4 Ų43.41%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-126147.5175-61.60000111.9S1 H2 R107 V164 L167 L171S1-V102 WeakPolarHBondContact CA-O 3.49Å; S1-V102 VanDerWaalsContact CB-O 3.29Å; S1-V102 WeakPolarHBondContact CB-O 3.41Å; H2-V102 HydrophobicContact CB-CG2 4.02Å; H2-V102 PolarHBondContact N-O 2.84Å; H2-V102 PolarHBondContact O-N 3.31Å; V102-R107 CarbonylContact C-O 3.59Å; V102-R107 WeakPolarHBondContact CA-O 3.11Å; V102-R107 WeakPolarHBondContact CB-O 3.19Å; V102-V164 HydrophobicContact CG1-CB 4.41Å; V102-V164 HydrophobicContact CG1-CG1 3.94Å; V102-V164 HydrophobicContact CG1-CG2 4.07Å; V102-L167 HydrophobicContact CB-CD2 4.35Å; V102-L167 HydrophobicContact CG1-CD2 3.96Å; V102-L167 HydrophobicContact CG2-CD2 3.62Å; V102-L167 HydrophobicContact CG2-CG 4.14Å; V102-L171 HydrophobicContact CG2-CD1 4.43Å
103G97.3Very high97.7Very high9 Ų943.1 Ų43.19%0.09322%0.217CC..  trans-67.4173.8173.300000112.2D105 G106 R107G103-D105 PolarHBondContact O-N 3.39Å; G103-G106 WeakPolarHBondContact O-CA 3.37Å; G103-G106 PolarHBondContact O-N 3.22Å; G103-R107 PolarHBondContact N-O 3.3Å
104S93.3Very high97.7Very high120 Ų12045.4 Ų45.484%0.83923%0.225SC*.THydrogen-bonded Turntrans-61.2-25.8172.247.90000112.8G106S104-G106 PolarHBondContact O-N 3.24Å
105D94.3Very high97.7Very high86 Ų8645.9 Ų45.946%0.4623%0.228SC..THydrogen-bonded Turntrans-82.22.4171.962.47.1000113.5G103 R107G103-D105 PolarHBondContact O-N 3.39Å; D105-R107 VanDerWaalsContact C-N 3.25Å; D105-R107 PolarHBondContact O-N 3.17Å; D105-R107 WeakPolarHBondContact OD1-CB 3.47Å; D105-R107 PolarHBondContact OD1-N 3.42Å; D105-R107 IonicContact OD1-NE 2.8Å; D105-R107 IonicContact OD2-CZ 3.32Å; D105-R107 IonicContact OD2-NE 3.3Å; D105-R107 PolarHBondContact OD2-NE 3.21Å; D105-R107 IonicContact OD2-NH2 3.51Å; D105-R107 PolarHBondContact OD2-NH2 2.84Å
106G94.8Very high97.7Very high13 Ų1342.9 Ų42.913%0.13422%0.217CC..  trans73.95.1-178.800000114.6G103 S104 R168G103-G106 WeakPolarHBondContact O-CA 3.37Å; G103-G106 PolarHBondContact O-N 3.22Å; S104-G106 PolarHBondContact O-N 3.24Å; G106-R168 PolarHBondContact O-NE 2.88Å; G106-R168 PolarHBondContact O-NH2 2.66Å
107R97.4Very high97.7Very high166 Ų16643 Ų4363%0.62622%0.217SC*.  trans-75.6147.9177-69.8-171-70.9169.6-3.4111.3V102 G103 D105 L109V102-R107 CarbonylContact C-O 3.59Å; V102-R107 WeakPolarHBondContact CA-O 3.11Å; V102-R107 WeakPolarHBondContact CB-O 3.19Å; G103-R107 PolarHBondContact N-O 3.3Å; D105-R107 VanDerWaalsContact C-N 3.25Å; D105-R107 PolarHBondContact O-N 3.17Å; D105-R107 WeakPolarHBondContact OD1-CB 3.47Å; D105-R107 PolarHBondContact OD1-N 3.42Å; D105-R107 IonicContact OD1-NE 2.8Å; D105-R107 IonicContact OD2-CZ 3.32Å; D105-R107 IonicContact OD2-NE 3.3Å; D105-R107 PolarHBondContact OD2-NE 3.21Å; D105-R107 IonicContact OD2-NH2 3.51Å; D105-R107 PolarHBondContact OD2-NH2 2.84Å; R107-L109 PolarHBondContact O-N 2.95Å
108F98.5Very high97.7Very high62 Ų6245 Ų4527%0.27223%0.227SC..EExtended strand (participates in β ladder)trans-56.2132.5176178.2-100.5000111C100 R110 G111 L129 L159 E160 V164C100-F108 HydrophobicContact CB-CD2 4.43Å; C100-F108 HydrophobicContact CB-CE2 4.18Å; F108-R110 VanDerWaalsContact CE2-C 3.41Å; F108-R110 VanDerWaalsContact CE2-O 3.3Å; F108-R110 WeakPolarHBondContact CE2-O 3.37Å; F108-G111 VanDerWaalsContact CZ-N 3.32Å; F108-L129 HydrophobicContact CE1-CD1 4.15Å; F108-L129 HydrophobicContact CZ-CD1 3.77Å; F108-L159 WeakPolarHBondContact CE2-O 3.43Å; F108-E160 HydrophobicContact CD1-CG 4.18Å; F108-E160 HydrophobicContact CE1-CG 3.94Å; F108-E160 HydrophobicContact CE2-CG 4.4Å; F108-E160 HydrophobicContact CZ-CG 4.05Å; F108-V164 HydrophobicContact CB-CG2 3.97Å; F108-V164 HydrophobicContact CD2-CG2 3.63Å; F108-V164 HydrophobicContact CG-CG2 4.27Å
109L97.9Very high97.6Very high108 Ų10846.8 Ų46.857%0.56525%0.252SS*.EExtended strand (participates in β ladder)trans-112.8-48.9174.7-66.9-179.3000111.8D101 R107D101-L109 HydrophobicContact CB-CB 4.34Å; D101-L109 PolarHBondContact O-N 3.45Å; R107-L109 PolarHBondContact O-N 2.95Å
110R97.9Very high97.6Very high94 Ų9454.4 Ų54.436%0.35529%0.285SS..EExtended strand (participates in β ladder)trans-155.8148.5-172.1-172.3163169.9143.65.9111.4C100 D101 F108 Y112 E127C100-R110 CarbonylContact C-O 3.52Å; C100-R110 VanDerWaalsContact CA-O 3.29Å; C100-R110 WeakPolarHBondContact CA-O 3.43Å; D101-R110 HydrophobicContact CB-CB 4.4Å; D101-R110 PolarHBondContact N-O 2.61Å; F108-R110 VanDerWaalsContact CE2-C 3.41Å; F108-R110 VanDerWaalsContact CE2-O 3.3Å; F108-R110 WeakPolarHBondContact CE2-O 3.37Å; R110-Y112 HydrophobicContact CB-CE2 4.15Å; R110-Y112 VanDerWaalsContact CD-OH 3.22Å; R110-Y112 WeakPolarHBondContact CD-OH 3.41Å; R110-Y112 HydrophobicContact CG-CE1 4.11Å; R110-Y112 HydrophobicContact CG-CE2 3.82Å; R110-Y112 VanDerWaalsContact NE-CE1 3.27Å; R110-Y112 PolarHBondContact NE-OH 3.21Å; R110-E127 VanDerWaalsContact CZ-CD 3.45Å; R110-E127 IonicContact CZ-OE1 3.13Å; R110-E127 IonicContact NH1-OE1 2.68Å; R110-E127 PolarHBondContact NH1-OE1 3.44Å; R110-E127 IonicContact NH1-OE2 3.54Å; R110-E127 VanDerWaalsContact NH2-CD 3.33Å; R110-E127 VanDerWaalsContact NH2-CG 3.33Å; R110-E127 IonicContact NH2-OE1 2.71Å; R110-E127 PolarHBondContact NH2-OE1 3.18Å
111G98.3Very high97.6Very high5 Ų560.5 Ų60.55%0.05232%0.318CS..EExtended strand (participates in β ladder)trans-123.1151.917500000110.8G99 F108G99-G111 CarbonylContact O-C 3.55Å; G99-G111 WeakPolarHBondContact O-CA 3.49Å; F108-G111 VanDerWaalsContact CZ-N 3.32Å
112Y98.1Very high97.6Very high41 Ų4159.7 Ų59.716%0.16131%0.313CS..EExtended strand (participates in β ladder)trans-134.5141.6-177.5-52.6-96.5000110R5 M97 Y98 G99 D101 R110R5-Y112 VanDerWaalsContact CZ-CE2 3.46Å; R5-Y112 VanDerWaalsContact NH2-CZ 3.25Å; R5-Y112 PolarHBondContact NH2-OH 2.87Å; M97-Y112 HydrophobicContact CE-CD1 4.28Å; M97-Y112 HydrophobicContact CE-CG 4.19Å; Y98-Y112 WeakPolarHBondContact CA-O 3.17Å; Y98-Y112 VanDerWaalsContact CB-O 3.31Å; Y98-Y112 WeakPolarHBondContact CB-O 3.26Å; G99-Y112 PolarHBondContact N-O 2.71Å; G99-Y112 WeakPolarHBondContact O-CD2 3.47Å; G99-Y112 PolarHBondContact O-N 3.27Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.16Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.31Å; D101-Y112 PolarHBondContact OD2-OH 2.88Å; R110-Y112 HydrophobicContact CB-CE2 4.15Å; R110-Y112 VanDerWaalsContact CD-OH 3.22Å; R110-Y112 WeakPolarHBondContact CD-OH 3.41Å; R110-Y112 HydrophobicContact CG-CE1 4.11Å; R110-Y112 HydrophobicContact CG-CE2 3.82Å; R110-Y112 VanDerWaalsContact NE-CE1 3.27Å; R110-Y112 PolarHBondContact NE-OH 3.21Å
113R98.3Very high97.6Very high9 Ų959.9 Ų59.93%0.03431%0.314CS..EExtended strand (participates in β ladder)trans-156.4108.6168.817571.9-174.195.816.2107.4M96 M97 D115 L125 W132 W155M96-R113 VanDerWaalsContact CE-NH1 3.34Å; M96-R113 PolarHBondContact SD-NH1 2.99Å; M97-R113 CarbonylContact O-C 3.49Å; M97-R113 WeakPolarHBondContact O-CA 3.27Å; R113-D115 IonicContact CZ-OD1 3.43Å; R113-D115 VanDerWaalsContact CZ-OD1 3.26Å; R113-D115 IonicContact CZ-OD2 3.86Å; R113-D115 IonicContact NH1-OD1 2.72Å; R113-D115 PolarHBondContact NH1-OD1 3.24Å; R113-D115 IonicContact NH1-OD2 2.79Å; R113-D115 VanDerWaalsContact NH2-CG 3.33Å; R113-D115 IonicContact NH2-OD1 3.48Å; R113-D115 PolarHBondContact NH2-OD1 2.96Å; R113-D115 VanDerWaalsContact NH2-OD1 3.12Å; R113-D115 IonicContact NH2-OD2 3.47Å; R113-D115 PolarHBondContact NH2-OD2 3.2Å; R113-L125 HydrophobicContact CB-CB 3.85Å; R113-L125 HydrophobicContact CB-CD2 4.1Å; R113-L125 PolarHBondContact O-N 3.33Å; R113-W132 HydrophobicContact CG-CH2 3.95Å; R113-W132 HydrophobicContact CG-CZ3 4.02Å; R113-W155 VanDerWaalsContact CD-CE2 3.46Å; R113-W155 VanDerWaalsContact CD-CZ2 3.48Å; R113-W155 HydrophobicContact CG-CD2 3.97Å; R113-W155 HydrophobicContact CG-CE3 4.41Å; R113-W155 HydrophobicContact CG-CG 4.21Å; R113-W155 HydrophobicContact CG-CZ2 4.49Å; R113-W155 VanDerWaalsContact NE-CE2 3.27Å
114Q98.4Very high97.7Very high82 Ų8260.9 Ų60.938%0.38332%0.322SS..EExtended strand (participates in β ladder)trans-141.8141-178.364.5-166.746.800111.1M96 M97 I123 A124M96-Q114 WeakPolarHBondContact CA-O 3.5Å; M97-Q114 HydrophobicContact CB-CG 3.96Å; M97-Q114 HydrophobicContact CE-CG 3.89Å; M97-Q114 PolarHBondContact N-O 3.17Å; M97-Q114 PolarHBondContact O-N 3.23Å; Q114-I123 WeakPolarHBondContact CA-O 3.45Å; Q114-A124 HydrophobicContact CB-CB 3.95Å
115D98.6Very high98Very high18 Ų1856 Ų5610%0.09629%0.286CS..EExtended strand (participates in β ladder)trans-119.8144.3177.4-66.9-21.8000110.5Q95 M96 R113 Y122 I123 W146Q95-D115 CarbonylContact O-C 3.57Å; Q95-D115 VanDerWaalsContact O-CA 3.27Å; Q95-D115 WeakPolarHBondContact O-CA 3.43Å; M96-D115 VanDerWaalsContact CB-OD1 3.3Å; M96-D115 WeakPolarHBondContact CB-OD1 3.42Å; R113-D115 IonicContact CZ-OD1 3.43Å; R113-D115 VanDerWaalsContact CZ-OD1 3.26Å; R113-D115 IonicContact CZ-OD2 3.86Å; R113-D115 IonicContact NH1-OD1 2.72Å; R113-D115 PolarHBondContact NH1-OD1 3.24Å; R113-D115 IonicContact NH1-OD2 2.79Å; R113-D115 VanDerWaalsContact NH2-CG 3.33Å; R113-D115 IonicContact NH2-OD1 3.48Å; R113-D115 PolarHBondContact NH2-OD1 2.96Å; R113-D115 VanDerWaalsContact NH2-OD1 3.12Å; R113-D115 IonicContact NH2-OD2 3.47Å; R113-D115 PolarHBondContact NH2-OD2 3.2Å; D115-Y122 WeakPolarHBondContact O-CA 3.39Å; D115-Y122 WeakPolarHBondContact O-CB 3.22Å; D115-Y122 PolarHBondContact O-N 3.31Å; D115-I123 HydrophobicContact CB-CG2 4.1Å; D115-I123 PolarHBondContact N-O 2.82Å; D115-I123 PolarHBondContact O-N 3.14Å; D115-W146 WeakPolarHBondContact OD2-CH2 3.37Å
116A98.8Very high98.2Very high16 Ų1656 Ų5613%0.13228%0.282CS..EExtended strand (participates in β ladder)trans-128.2148.6173.700000110.4I94 Q95 K120I94-A116 WeakPolarHBondContact CA-O 3.43Å; Q95-A116 HydrophobicContact CB-CB 4.31Å; Q95-A116 PolarHBondContact N-O 2.72Å; Q95-A116 PolarHBondContact O-N 3.5Å; A116-K120 CarbonylContact C-O 3.55Å; A116-K120 WeakPolarHBondContact CA-O 3.04Å; A116-K120 WeakPolarHBondContact CB-O 3.3Å
117Y98.7Very high98.3Very high11 Ų1161.9 Ų61.94%0.04331%0.306CS..EExtended strand (participates in β ladder)trans-127.1128.1176.8-174.6-119.5000110L77 L80 Y84 Q86 H92 T93 I94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.35Å; L80-Y117 HydrophobicContact CB-CD1 4.39Å; L80-Y117 HydrophobicContact CB-CD2 4.16Å; L80-Y117 HydrophobicContact CB-CE1 4.04Å; L80-Y117 HydrophobicContact CB-CE2 3.8Å; L80-Y117 HydrophobicContact CB-CG 4.43Å; L80-Y117 HydrophobicContact CD1-CD2 3.45Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.45Å; L80-Y117 HydrophobicContact CD1-CE2 3.84Å; L80-Y117 HydrophobicContact CD1-CG 3.85Å; L80-Y117 HydrophobicContact CG-CD2 4.43Å; L80-Y117 HydrophobicContact CG-CE2 4.49Å; Y84-Y117 AromaticContact CD2-CD1 3.7Å; Y84-Y117 HydrophobicContact CD2-CD1 3.7Å; Y84-Y117 AromaticContact CD2-CE1 3.5Å; Y84-Y117 HydrophobicContact CD2-CE1 3.5Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.5Å; Y84-Y117 AromaticContact CE2-CD1 3.51Å; Y84-Y117 HydrophobicContact CE2-CD1 3.51Å; Y84-Y117 AromaticContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CG 4.46Å; Y84-Y117 HydrophobicContact CG-CE1 4.37Å; Q86-Y117 PolarHBondContact OE1-OH 3.48Å; H92-Y117 HydrophobicContact CB-CE2 3.88Å; H92-Y117 WeakPolarHBondContact CB-OH 3.49Å; H92-Y117 VanDerWaalsContact CG-OH 3.25Å; H92-Y117 AromaticContact ND1-CZ 3.94Å; H92-Y117 PolarHBondContact ND1-OH 3.11Å; T93-Y117 CarbonylContact O-C 3.59Å; T93-Y117 WeakPolarHBondContact O-CA 3.4Å; T93-Y117 VanDerWaalsContact O-CD2 3.28Å; T93-Y117 WeakPolarHBondContact O-CD2 3.3Å; I94-Y117 HydrophobicContact CG1-CD2 3.85Å; I94-Y117 HydrophobicContact CG1-CE2 4.25Å; Y117-G119 PolarHBondContact O-N 3.28Å; Y117-K120 PolarHBondContact N-O 2.93Å; Y117-K120 PolarHBondContact O-N 2.9Å
118D98.1Very high98.3Very high58 Ų5857.6 Ų57.631%0.3130%0.295SS..THydrogen-bonded Turntrans49.440.2-175.5-66.7-20.5000113.3Q86 H92 T93 K120Q86-D118 PolarHBondContact NE2-OD2 2.92Å; H92-D118 WeakPolarHBondContact CA-OD1 3.45Å; H92-D118 WeakPolarHBondContact CB-OD1 3.38Å; H92-D118 IonicContact CE1-OD2 3.78Å; H92-D118 IonicContact CG-OD1 2.71Å; H92-D118 IonicContact CG-OD2 3.66Å; H92-D118 IonicContact ND1-OD1 3.76Å; H92-D118 IonicContact ND1-OD2 2.72Å; H92-D118 PolarHBondContact ND1-OD2 3.33Å; T93-D118 PolarHBondContact N-OD1 3.2Å; T93-D118 PolarHBondContact O-N 2.98Å; D118-K120 VanDerWaalsContact C-N 3.29Å; D118-K120 PolarHBondContact O-N 3.36Å
119G97.4Very high98.3Very high58 Ų5855 Ų5560%0.59828%0.284SS*.THydrogen-bonded Turntrans76.88178.200000115.2Y117Y117-G119 PolarHBondContact O-N 3.28Å
120K98.4Very high98.2Very high159 Ų15957.9 Ų57.969%0.69129%0.288SS*.EExtended strand (participates in β ladder)trans-114145176.8-62179.3-176.9176.60110.7A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.55Å; A116-K120 WeakPolarHBondContact CA-O 3.04Å; A116-K120 WeakPolarHBondContact CB-O 3.3Å; Y117-K120 PolarHBondContact N-O 2.93Å; Y117-K120 PolarHBondContact O-N 2.9Å; D118-K120 VanDerWaalsContact C-N 3.29Å; D118-K120 PolarHBondContact O-N 3.36Å; K120-Y122 PolarHBondContact O-N 3.35Å
121D98.6Very high98.2Very high128 Ų12854.6 Ų54.668%0.68428%0.279SS*.EExtended strand (participates in β ladder)trans-52.7136.2173.6-68.5-26.8000110.6A135D121-A135 HydrophobicContact CB-CB 4.27Å; D121-A135 WeakPolarHBondContact O-CB 3.28Å
122Y98.8Very high98.2Very high10 Ų1054.5 Ų54.54%0.03928%0.277CS..EExtended strand (participates in β ladder)trans-115.1-64.6178.6-178.7-110.3000110.5L80 Y84 D115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD2 4.32Å; L80-Y122 HydrophobicContact CD2-CE1 3.83Å; L80-Y122 HydrophobicContact CD2-CE2 3.56Å; L80-Y122 VanDerWaalsContact CD2-OH 3.28Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.47Å; Y84-Y122 HydrophobicContact CE2-CD2 4.41Å; Y84-Y122 HydrophobicContact CE2-CE2 4.11Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.32Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.38Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.27Å; D115-Y122 WeakPolarHBondContact O-CA 3.39Å; D115-Y122 WeakPolarHBondContact O-CB 3.22Å; D115-Y122 PolarHBondContact O-N 3.31Å; K120-Y122 PolarHBondContact O-N 3.35Å; Y122-A135 WeakPolarHBondContact O-CB 3.48Å; Y122-A135 PolarHBondContact O-N 2.88Å; Y122-A138 HydrophobicContact CE2-CB 4.45Å; Y122-A138 PolarHBondContact OH-O 3.17Å; Y122-A139 HydrophobicContact CD2-CB 3.78Å; Y122-A139 HydrophobicContact CE1-CB 4.48Å; Y122-A139 HydrophobicContact CE2-CB 3.65Å; Y122-A139 HydrophobicContact CG-CB 4.26Å; Y122-A139 WeakPolarHBondContact O-CB 3.47Å; Y122-T142 HydrophobicContact CE1-CG2 4.14Å; Y122-T142 WeakPolarHBondContact OH-CB 3.22Å; Y122-T142 PolarHBondContact OH-OG1 3.01Å
123I98.8Very high98.3Very high4 Ų456.1 Ų56.12%0.02129%0.291CS..EExtended strand (participates in β ladder)trans-146.9140.2178.8-163173.7000111Q114 D115 W132 T133 T142 K143 W146Q114-I123 WeakPolarHBondContact CA-O 3.45Å; D115-I123 HydrophobicContact CB-CG2 4.1Å; D115-I123 PolarHBondContact N-O 2.82Å; D115-I123 PolarHBondContact O-N 3.14Å; I123-W132 HydrophobicContact CD1-CB 4.14Å; I123-W132 HydrophobicContact CD1-CD2 4.37Å; I123-W132 HydrophobicContact CD1-CE3 4.22Å; I123-W132 HydrophobicContact CD1-CG 4.36Å; I123-W132 HydrophobicContact CG1-CB 4.21Å; I123-W132 HydrophobicContact CG1-CE3 4.06Å; I123-T133 CarbonylContact C-O 3.59Å; I123-T133 WeakPolarHBondContact CA-O 3.28Å; I123-T133 WeakPolarHBondContact CG1-O 3.31Å; I123-T142 HydrophobicContact CD1-CG2 4.03Å; I123-K143 HydrophobicContact CD1-CB 3.86Å; I123-W146 HydrophobicContact CD1-CE3 4.01Å; I123-W146 HydrophobicContact CD1-CZ3 4.28Å; I123-W146 HydrophobicContact CG2-CH2 4.04Å; I123-W146 HydrophobicContact CG2-CZ3 3.79Å
124A98.8Very high98.3Very high31 Ų3156.4 Ų56.426%0.25630%0.296SS..EExtended strand (participates in β ladder)trans-136137.4179.900000112Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.95Å; A124-W132 CarbonylContact O-C 3.57Å; A124-W132 WeakPolarHBondContact O-CA 3.28Å; A124-T133 PolarHBondContact N-O 2.9Å; A124-T133 PolarHBondContact O-N 2.85Å
125L98.8Very high98.3Very high16 Ų1655.4 Ų55.48%0.08430%0.301CS..EExtended strand (participates in β ladder)trans-71.2129.1170-173.864.9000108.5R113 L129 W132 A152 W155 L159R113-L125 HydrophobicContact CB-CB 3.85Å; R113-L125 HydrophobicContact CB-CD2 4.1Å; R113-L125 PolarHBondContact O-N 3.33Å; L125-L129 HydrophobicContact CD2-CB 4.44Å; L125-L129 HydrophobicContact CD2-CD2 3.7Å; L125-L129 HydrophobicContact CG-CD2 4.22Å; L125-W132 HydrophobicContact CB-CE3 3.95Å; L125-W132 HydrophobicContact CB-CH2 4.05Å; L125-W132 HydrophobicContact CB-CZ3 3.61Å; L125-W132 HydrophobicContact CD1-CD2 4.11Å; L125-W132 HydrophobicContact CD1-CE3 4.26Å; L125-W132 HydrophobicContact CD1-CH2 4.05Å; L125-W132 HydrophobicContact CD1-CZ2 3.89Å; L125-W132 HydrophobicContact CD1-CZ3 4.22Å; L125-W132 HydrophobicContact CG-CZ3 4.47Å; L125-A152 HydrophobicContact CD1-CB 3.95Å; L125-W155 HydrophobicContact CD2-CB 4.08Å; L125-L159 HydrophobicContact CD2-CD1 3.96Å
126K98.4Very high98.2Very high88 Ų8857.5 Ų57.538%0.38331%0.312SS..  trans-72.4165.6178.3-63.4-164-155.5160.90111.4D128 L129 S131 T133K126-D128 PolarHBondContact O-N 2.84Å; K126-D128 VanDerWaalsContact O-N 3.11Å; K126-L129 PolarHBondContact O-N 3.33Å; K126-S131 WeakPolarHBondContact CB-O 3.41Å; K126-S131 VanDerWaalsContact CD-OG 3.22Å; K126-S131 WeakPolarHBondContact CD-OG 2.99Å; K126-S131 WeakPolarHBondContact CE-OG 3.4Å; K126-S131 WeakPolarHBondContact CG-O 3.32Å; K126-S131 PolarHBondContact N-O 2.75Å; K126-S131 PolarHBondContact NZ-OG 2.8Å; K126-T133 VanDerWaalsContact CE-OG1 3.24Å; K126-T133 WeakPolarHBondContact CE-OG1 3.38Å; K126-T133 WeakPolarHBondContact CG-OG1 3.41Å
127E97.4Very high98.1Very high135 Ų13564.2 Ų64.263%0.63134%0.343SS*.THydrogen-bonded Turntrans-58.5-23.5177.7-63-177.2-173.200113.6R110 L129R110-E127 VanDerWaalsContact CZ-CD 3.45Å; R110-E127 IonicContact CZ-OE1 3.13Å; R110-E127 IonicContact NH1-OE1 2.68Å; R110-E127 PolarHBondContact NH1-OE1 3.44Å; R110-E127 IonicContact NH1-OE2 3.54Å; R110-E127 VanDerWaalsContact NH2-CD 3.33Å; R110-E127 VanDerWaalsContact NH2-CG 3.33Å; R110-E127 IonicContact NH2-OE1 2.71Å; R110-E127 PolarHBondContact NH2-OE1 3.18Å; E127-L129 PolarHBondContact O-N 3.26Å
128D97.3Very high98.1Very high77 Ų7764.3 Ų64.341%0.41235%0.346SS..THydrogen-bonded Turntrans-70.5-11.1174.767.113.6000113.9K126 R130 S131K126-D128 PolarHBondContact O-N 2.84Å; K126-D128 VanDerWaalsContact O-N 3.11Å; D128-R130 WeakPolarHBondContact O-CG 3.47Å; D128-R130 PolarHBondContact O-N 3.02Å; D128-R130 VanDerWaalsContact O-N 3.16Å; D128-R130 PolarHBondContact OD1-N 3.4Å; D128-S131 PolarHBondContact OD1-N 2.84Å; D128-S131 PolarHBondContact OD1-OG 3.41Å; D128-S131 PolarHBondContact OD2-OG 2.82Å
129L98.1Very high98.1Very high6 Ų661.5 Ų61.53%0.03133%0.331CS..SBendtrans52.926.9-174.4-52.4179.3000114.1F108 L125 K126 E127 R156 L159 E160F108-L129 HydrophobicContact CE1-CD1 4.15Å; F108-L129 HydrophobicContact CZ-CD1 3.77Å; L125-L129 HydrophobicContact CD2-CB 4.44Å; L125-L129 HydrophobicContact CD2-CD2 3.7Å; L125-L129 HydrophobicContact CG-CD2 4.22Å; K126-L129 PolarHBondContact O-N 3.33Å; E127-L129 PolarHBondContact O-N 3.26Å; L129-R156 HydrophobicContact CB-CB 4.05Å; L129-R156 HydrophobicContact CB-CG 3.87Å; L129-R156 HydrophobicContact CD1-CG 4.11Å; L129-L159 HydrophobicContact CD2-CD1 4.08Å; L129-E160 HydrophobicContact CD1-CG 3.99Å
130R97.4Very high98.1Very high170 Ų17061.5 Ų61.564%0.64232%0.315SS*.SBendtrans-130.5-29.5-175.7-70.4174.1-170.5-147.44.6112.5D128 A152D128-R130 WeakPolarHBondContact O-CG 3.47Å; D128-R130 PolarHBondContact O-N 3.02Å; D128-R130 VanDerWaalsContact O-N 3.16Å; D128-R130 PolarHBondContact OD1-N 3.4Å; R130-A152 WeakPolarHBondContact O-CB 3.09Å
131S97.3Very high98.1Very high24 Ų2456.7 Ų56.717%0.16830%0.3CS..  trans-123.4159.4-176.370.70000112.4K126 D128K126-S131 WeakPolarHBondContact CB-O 3.41Å; K126-S131 VanDerWaalsContact CD-OG 3.22Å; K126-S131 WeakPolarHBondContact CD-OG 2.99Å; K126-S131 WeakPolarHBondContact CE-OG 3.4Å; K126-S131 WeakPolarHBondContact CG-O 3.32Å; K126-S131 PolarHBondContact N-O 2.75Å; K126-S131 PolarHBondContact NZ-OG 2.8Å; D128-S131 PolarHBondContact OD1-N 2.84Å; D128-S131 PolarHBondContact OD1-OG 3.41Å; D128-S131 PolarHBondContact OD2-OG 2.82Å
132W98.6Very high98Very high3 Ų351.5 Ų51.51%0.01127%0.272CS..EExtended strand (participates in β ladder)trans-113.7144.7-177.6-59.291.6000111.7R113 I123 A124 L125 K143 W146 V151 A152 W155R113-W132 HydrophobicContact CG-CH2 3.95Å; R113-W132 HydrophobicContact CG-CZ3 4.02Å; I123-W132 HydrophobicContact CD1-CB 4.14Å; I123-W132 HydrophobicContact CD1-CD2 4.37Å; I123-W132 HydrophobicContact CD1-CE3 4.22Å; I123-W132 HydrophobicContact CD1-CG 4.36Å; I123-W132 HydrophobicContact CG1-CB 4.21Å; I123-W132 HydrophobicContact CG1-CE3 4.06Å; A124-W132 CarbonylContact O-C 3.57Å; A124-W132 WeakPolarHBondContact O-CA 3.28Å; L125-W132 HydrophobicContact CB-CE3 3.95Å; L125-W132 HydrophobicContact CB-CH2 4.05Å; L125-W132 HydrophobicContact CB-CZ3 3.61Å; L125-W132 HydrophobicContact CD1-CD2 4.11Å; L125-W132 HydrophobicContact CD1-CE3 4.26Å; L125-W132 HydrophobicContact CD1-CH2 4.05Å; L125-W132 HydrophobicContact CD1-CZ2 3.89Å; L125-W132 HydrophobicContact CD1-CZ3 4.22Å; L125-W132 HydrophobicContact CG-CZ3 4.47Å; W132-K143 HydrophobicContact CB-CD 4.28Å; W132-K143 HydrophobicContact CB-CG 4.08Å; W132-K143 WeakPolarHBondContact O-CE 3.48Å; W132-W146 AromaticContact CD2-CE3 3.86Å; W132-W146 HydrophobicContact CD2-CE3 3.86Å; W132-W146 HydrophobicContact CD2-CZ3 4.38Å; W132-W146 AromaticContact CE2-CE3 3.69Å; W132-W146 AromaticContact CE3-CE3 3.78Å; W132-W146 HydrophobicContact CE3-CE3 3.78Å; W132-W146 AromaticContact CE3-CZ3 3.82Å; W132-W146 HydrophobicContact CE3-CZ3 3.82Å; W132-W146 AromaticContact CH2-CE3 3.43Å; W132-W146 HydrophobicContact CH2-CE3 3.43Å; W132-W146 VanDerWaalsContact CH2-CE3 3.43Å; W132-W146 AromaticContact CH2-CZ3 3.37Å; W132-W146 HydrophobicContact CH2-CZ3 3.37Å; W132-W146 HydrophobicContact CZ2-CD2 4.47Å; W132-W146 AromaticContact CZ2-CE3 3.49Å; W132-W146 HydrophobicContact CZ2-CE3 3.49Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.49Å; W132-W146 AromaticContact CZ2-CZ3 3.97Å; W132-W146 HydrophobicContact CZ2-CZ3 3.97Å; W132-W146 AromaticContact CZ3-CE3 3.58Å; W132-W146 HydrophobicContact CZ3-CE3 3.58Å; W132-W146 AromaticContact CZ3-CZ3 3.29Å; W132-W146 HydrophobicContact CZ3-CZ3 3.29Å; W132-V151 HydrophobicContact CZ2-CB 4.33Å; W132-V151 HydrophobicContact CZ2-CG1 3.98Å; W132-A152 HydrophobicContact CZ2-CB 4.28Å; W132-W155 AromaticContact CH2-CD1 3.93Å
133T98.6Very high98Very high75 Ų7553 Ų5346%0.4628%0.279SS..EExtended strand (participates in β ladder)trans-102.9122.4166-60.30000108.1I123 A124 K126I123-T133 CarbonylContact C-O 3.59Å; I123-T133 WeakPolarHBondContact CA-O 3.28Å; I123-T133 WeakPolarHBondContact CG1-O 3.31Å; A124-T133 PolarHBondContact N-O 2.9Å; A124-T133 PolarHBondContact O-N 2.85Å; K126-T133 VanDerWaalsContact CE-OG1 3.24Å; K126-T133 WeakPolarHBondContact CE-OG1 3.38Å; K126-T133 WeakPolarHBondContact CG-OG1 3.41Å
134A98.6Very high98Very high16 Ų1658.4 Ų58.413%0.13230%0.304CS..EExtended strand (participates in β ladder)trans-103.9135.7174.800000109.2A139 Q140 K143A134-A139 HydrophobicContact CB-CB 3.7Å; A134-Q140 HydrophobicContact CB-CG 4.33Å; A134-K143 HydrophobicContact CB-CB 4.27Å; A134-K143 HydrophobicContact CB-CD 4.19Å
135A98.4Very high98Very high61 Ų6162.6 Ų62.650%0.50432%0.316SS..SBendtrans-78-31.6-174.400000113.5D121 Y122D121-A135 HydrophobicContact CB-CB 4.27Å; D121-A135 WeakPolarHBondContact O-CB 3.28Å; Y122-A135 WeakPolarHBondContact O-CB 3.48Å; Y122-A135 PolarHBondContact O-N 2.88Å
136D97.9Very high97.9Very high61 Ų6164.3 Ų64.333%0.32632%0.322SS..SBendtrans-149.6-174.9-178.866.530.7000112.6Y84 A138 A139 Q140Y84-D136 VanDerWaalsContact CE1-OD2 3.22Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.48Å; Y84-D136 VanDerWaalsContact OH-CG 3.24Å; Y84-D136 PolarHBondContact OH-OD1 2.88Å; Y84-D136 PolarHBondContact OH-OD2 2.87Å; D136-A138 VanDerWaalsContact C-N 3.34Å; D136-A138 PolarHBondContact O-N 2.88Å; D136-A138 WeakPolarHBondContact OD1-CA 3.39Å; D136-A138 WeakPolarHBondContact OD1-CB 3.46Å; D136-A138 PolarHBondContact OD1-N 2.9Å; D136-A139 PolarHBondContact O-N 2.85Å; D136-A139 PolarHBondContact OD1-N 2.82Å; D136-Q140 WeakPolarHBondContact O-CG 3.36Å; D136-Q140 PolarHBondContact O-N 3.47Å
137M96.9Very high97.9Very high158 Ų15863.8 Ų63.878%0.77832%0.321SS*.Hα-helixtrans-65.4-31.5-178.8-68-56-58.900114Q140M137-Q140 PolarHBondContact O-N 3.26Å
138A96.8Very high98Very high12 Ų1261.2 Ų61.210%0.09932%0.322CS..Hα-helixtrans-68.9-44.8175.100000109.7Y83 Y84 Y122 D136 Q140 T141Y83-A138 HydrophobicContact CD2-CB 4.44Å; Y84-A138 HydrophobicContact CD1-CB 4.22Å; Y84-A138 HydrophobicContact CD2-CB 4.48Å; Y84-A138 HydrophobicContact CE1-CB 3.65Å; Y84-A138 HydrophobicContact CE2-CB 3.93Å; Y84-A138 VanDerWaalsContact CZ-CB 3.48Å; Y122-A138 HydrophobicContact CE2-CB 4.45Å; Y122-A138 PolarHBondContact OH-O 3.17Å; D136-A138 VanDerWaalsContact C-N 3.34Å; D136-A138 PolarHBondContact O-N 2.88Å; D136-A138 WeakPolarHBondContact OD1-CA 3.39Å; D136-A138 WeakPolarHBondContact OD1-CB 3.46Å; D136-A138 PolarHBondContact OD1-N 2.9Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 3.14Å; A138-T141 VanDerWaalsContact O-CB 3.22Å; A138-T141 WeakPolarHBondContact O-CB 3.27Å; A138-T141 PolarHBondContact O-N 3.25Å
139A98.2Very high98Very high0 Ų060.1 Ų60.10%032%0.324CS..Hα-helixtrans-61.5-30.9175.500000113.7Y122 A134 D136 T141 T142 K143Y122-A139 HydrophobicContact CD2-CB 3.78Å; Y122-A139 HydrophobicContact CE1-CB 4.48Å; Y122-A139 HydrophobicContact CE2-CB 3.65Å; Y122-A139 HydrophobicContact CG-CB 4.26Å; Y122-A139 WeakPolarHBondContact O-CB 3.47Å; A134-A139 HydrophobicContact CB-CB 3.7Å; D136-A139 PolarHBondContact O-N 2.85Å; D136-A139 PolarHBondContact OD1-N 2.82Å; A139-T141 PolarHBondContact O-N 3.43Å; A139-T142 PolarHBondContact O-N 2.83Å; A139-T142 VanDerWaalsContact O-N 3.16Å; A139-K143 PolarHBondContact O-N 2.88Å
140Q98.4Very high98Very high57 Ų5765 Ų6527%0.26635%0.347SS..Hα-helixtrans-58.4-34.1172.4-66.6-63-19.600112A134 D136 M137 A138 K143 H144A134-Q140 HydrophobicContact CB-CG 4.33Å; D136-Q140 WeakPolarHBondContact O-CG 3.36Å; D136-Q140 PolarHBondContact O-N 3.47Å; M137-Q140 PolarHBondContact O-N 3.26Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 3.14Å; Q140-K143 PolarHBondContact O-N 3.18Å; Q140-H144 PolarHBondContact O-N 3.13Å
141T97.3Very high98Very high59 Ų5957.9 Ų57.936%0.36232%0.322SS..Hα-helixtrans-64.4-44.7176.8-56.70000111.1Y83 A138 A139 K145Y83-T141 HydrophobicContact CE1-CG2 4.32Å; Y83-T141 HydrophobicContact CE2-CG2 4.12Å; A138-T141 VanDerWaalsContact O-CB 3.22Å; A138-T141 WeakPolarHBondContact O-CB 3.27Å; A138-T141 PolarHBondContact O-N 3.25Å; A139-T141 PolarHBondContact O-N 3.43Å; T141-K145 WeakPolarHBondContact O-CG 3.48Å; T141-K145 PolarHBondContact O-N 3.17Å
142T97.9Very high98.1Very high18 Ų1857.1 Ų57.111%0.1132%0.317CS..Hα-helixtrans-64.4-43.7174-68.80000111.2Y122 I123 A139 H144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.14Å; Y122-T142 WeakPolarHBondContact OH-CB 3.22Å; Y122-T142 PolarHBondContact OH-OG1 3.01Å; I123-T142 HydrophobicContact CD1-CG2 4.03Å; A139-T142 PolarHBondContact O-N 2.83Å; A139-T142 VanDerWaalsContact O-N 3.16Å; T142-H144 PolarHBondContact O-N 2.72Å; T142-K145 WeakPolarHBondContact O-CB 3.46Å; T142-K145 PolarHBondContact O-N 2.8Å; T142-W146 HydrophobicContact CG2-CD2 3.87Å; T142-W146 HydrophobicContact CG2-CE3 4.41Å; T142-W146 HydrophobicContact CG2-CG 4.15Å; T142-W146 HydrophobicContact CG2-CZ2 4.01Å; T142-W146 WeakPolarHBondContact O-CB 3.28Å; T142-W146 PolarHBondContact O-N 3.46Å
143K98.6Very high98.1Very high42 Ų4262.9 Ų62.918%0.18334%0.344CS..Hα-helixtrans-54.2-52177.5173.9176171.9-1680112I123 W132 A134 A139 Q140 K145 W146 E147I123-K143 HydrophobicContact CD1-CB 3.86Å; W132-K143 HydrophobicContact CB-CD 4.28Å; W132-K143 HydrophobicContact CB-CG 4.08Å; W132-K143 WeakPolarHBondContact O-CE 3.48Å; A134-K143 HydrophobicContact CB-CB 4.27Å; A134-K143 HydrophobicContact CB-CD 4.19Å; A139-K143 PolarHBondContact O-N 2.88Å; Q140-K143 PolarHBondContact O-N 3.18Å; K143-K145 VanDerWaalsContact C-N 3.31Å; K143-K145 PolarHBondContact O-N 2.99Å; K143-W146 PolarHBondContact O-N 2.96Å; K143-W146 VanDerWaalsContact O-N 3.16Å; K143-E147 WeakPolarHBondContact CE-OE1 3.2Å; K143-E147 HydrophobicContact CG-CG 4.31Å; K143-E147 IonicContact NZ-OE1 3.56Å; K143-E147 WeakPolarHBondContact O-CB 3.12Å; K143-E147 WeakPolarHBondContact O-CG 3.43Å; K143-E147 PolarHBondContact O-N 3.25Å
144H98.4Very high98Very high118 Ų11865.7 Ų65.755%0.54635%0.352SS..Hα-helixtrans-60.4-39.8179.5-67.9171.3000112.4Q140 T142 A148Q140-H144 PolarHBondContact O-N 3.13Å; T142-H144 PolarHBondContact O-N 2.72Å; H144-A148 WeakPolarHBondContact O-CB 3.33Å; H144-A148 PolarHBondContact O-N 3.09Å
145K97.9Very high98Very high118 Ų11867.3 Ų67.351%0.51336%0.355SS..Hα-helixtrans-62.8-44.2175.5-72.3177.2175.7-176.80111.7Y83 T141 T142 K143 A149Y83-K145 PolarHBondContact OH-NZ 3.14Å; T141-K145 WeakPolarHBondContact O-CG 3.48Å; T141-K145 PolarHBondContact O-N 3.17Å; T142-K145 WeakPolarHBondContact O-CB 3.46Å; T142-K145 PolarHBondContact O-N 2.8Å; K143-K145 VanDerWaalsContact C-N 3.31Å; K143-K145 PolarHBondContact O-N 2.99Å; K145-A149 WeakPolarHBondContact O-CB 3.35Å; K145-A149 PolarHBondContact O-N 3.5Å
146W98.2Very high98Very high52 Ų5268.1 Ų68.120%0.19735%0.345CS..Hα-helixtrans-71.5-35-178.6-77.513.4000113D115 I123 W132 T142 K143 A149 H150 V151D115-W146 WeakPolarHBondContact OD2-CH2 3.37Å; I123-W146 HydrophobicContact CD1-CE3 4.01Å; I123-W146 HydrophobicContact CD1-CZ3 4.28Å; I123-W146 HydrophobicContact CG2-CH2 4.04Å; I123-W146 HydrophobicContact CG2-CZ3 3.79Å; W132-W146 AromaticContact CD2-CE3 3.86Å; W132-W146 HydrophobicContact CD2-CE3 3.86Å; W132-W146 HydrophobicContact CD2-CZ3 4.38Å; W132-W146 AromaticContact CE2-CE3 3.69Å; W132-W146 AromaticContact CE3-CE3 3.78Å; W132-W146 HydrophobicContact CE3-CE3 3.78Å; W132-W146 AromaticContact CE3-CZ3 3.82Å; W132-W146 HydrophobicContact CE3-CZ3 3.82Å; W132-W146 AromaticContact CH2-CE3 3.43Å; W132-W146 HydrophobicContact CH2-CE3 3.43Å; W132-W146 VanDerWaalsContact CH2-CE3 3.43Å; W132-W146 AromaticContact CH2-CZ3 3.37Å; W132-W146 HydrophobicContact CH2-CZ3 3.37Å; W132-W146 HydrophobicContact CZ2-CD2 4.47Å; W132-W146 AromaticContact CZ2-CE3 3.49Å; W132-W146 HydrophobicContact CZ2-CE3 3.49Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.49Å; W132-W146 AromaticContact CZ2-CZ3 3.97Å; W132-W146 HydrophobicContact CZ2-CZ3 3.97Å; W132-W146 AromaticContact CZ3-CE3 3.58Å; W132-W146 HydrophobicContact CZ3-CE3 3.58Å; W132-W146 AromaticContact CZ3-CZ3 3.29Å; W132-W146 HydrophobicContact CZ3-CZ3 3.29Å; T142-W146 HydrophobicContact CG2-CD2 3.87Å; T142-W146 HydrophobicContact CG2-CE3 4.41Å; T142-W146 HydrophobicContact CG2-CG 4.15Å; T142-W146 HydrophobicContact CG2-CZ2 4.01Å; T142-W146 WeakPolarHBondContact O-CB 3.28Å; T142-W146 PolarHBondContact O-N 3.46Å; K143-W146 PolarHBondContact O-N 2.96Å; K143-W146 VanDerWaalsContact O-N 3.16Å; W146-A149 CarbonylContact O-C 3.57Å; W146-A149 PolarHBondContact O-N 3.13Å; W146-H150 PolarHBondContact O-N 2.97Å; W146-H150 VanDerWaalsContact O-N 3.09Å; W146-V151 HydrophobicContact CB-CB 3.95Å; W146-V151 HydrophobicContact CB-CG2 3.96Å; W146-V151 HydrophobicContact CD2-CB 4.45Å; W146-V151 HydrophobicContact CD2-CG1 4.12Å; W146-V151 HydrophobicContact CE3-CG1 4.31Å; W146-V151 HydrophobicContact CG-CB 4.1Å; W146-V151 HydrophobicContact CG-CG1 4.26Å; W146-V151 HydrophobicContact CG-CG2 3.94Å; W146-V151 PolarHBondContact O-N 3.04Å
147E98.4Very high98Very high77 Ų7768.3 Ų68.336%0.3636%0.355SS..Hα-helixtrans-66.2-46.8172.9-73.4175161.400110.9K143 A149 H150K143-E147 WeakPolarHBondContact CE-OE1 3.2Å; K143-E147 HydrophobicContact CG-CG 4.31Å; K143-E147 IonicContact NZ-OE1 3.56Å; K143-E147 WeakPolarHBondContact O-CB 3.12Å; K143-E147 WeakPolarHBondContact O-CG 3.43Å; K143-E147 PolarHBondContact O-N 3.25Å; E147-A149 PolarHBondContact O-N 3.32Å; E147-H150 PolarHBondContact O-N 2.96Å; E147-H150 VanDerWaalsContact O-N 3.1Å
148A98.3Very high98.1Very high81 Ų8163.6 Ų63.667%0.66933%0.329SS*.Hα-helixtrans-62-29.6176.100000113.2H144H144-A148 WeakPolarHBondContact O-CB 3.33Å; H144-A148 PolarHBondContact O-N 3.09Å
149A98.1Very high98.2Very high55 Ų5563 Ų6346%0.45532%0.324SS..THydrogen-bonded Turntrans-94.56.817800000113.9K145 W146 E147 V151K145-A149 WeakPolarHBondContact O-CB 3.35Å; K145-A149 PolarHBondContact O-N 3.5Å; W146-A149 CarbonylContact O-C 3.57Å; W146-A149 PolarHBondContact O-N 3.13Å; E147-A149 PolarHBondContact O-N 3.32Å; A149-V151 HydrophobicContact CB-CG2 3.94Å; A149-V151 PolarHBondContact O-N 3.14Å; A149-V151 VanDerWaalsContact O-N 3.17Å
150H97.6Very high98.2Very high108 Ų10866.7 Ų66.750%0.534%0.341SS..THydrogen-bonded Turntrans53.434.7179.6-62.6-92.8000114.1W146 E147 A152 E153W146-H150 PolarHBondContact O-N 2.97Å; W146-H150 VanDerWaalsContact O-N 3.09Å; E147-H150 PolarHBondContact O-N 2.96Å; E147-H150 VanDerWaalsContact O-N 3.1Å; H150-A152 PolarHBondContact O-N 3.12Å; H150-E153 HydrophobicContact CB-CG 4.45Å; H150-E153 IonicContact CE1-OE1 2.72Å; H150-E153 IonicContact CG-OE1 3.45Å; H150-E153 IonicContact ND1-OE1 3.09Å; H150-E153 PolarHBondContact ND1-OE1 2.62Å; H150-E153 PolarHBondContact O-N 3.23Å; H150-E153 VanDerWaalsContact O-N 3.09Å
151V98.4Very high98.2Very high21 Ų2165.1 Ų65.113%0.12734%0.341CS..Hα-helixtrans-62.4-30.4-174.7176.80000111.9W132 W146 A149 E153 Q154 W155W132-V151 HydrophobicContact CZ2-CB 4.33Å; W132-V151 HydrophobicContact CZ2-CG1 3.98Å; W146-V151 HydrophobicContact CB-CB 3.95Å; W146-V151 HydrophobicContact CB-CG2 3.96Å; W146-V151 HydrophobicContact CD2-CB 4.45Å; W146-V151 HydrophobicContact CD2-CG1 4.12Å; W146-V151 HydrophobicContact CE3-CG1 4.31Å; W146-V151 HydrophobicContact CG-CB 4.1Å; W146-V151 HydrophobicContact CG-CG1 4.26Å; W146-V151 HydrophobicContact CG-CG2 3.94Å; W146-V151 PolarHBondContact O-N 3.04Å; A149-V151 HydrophobicContact CB-CG2 3.94Å; A149-V151 PolarHBondContact O-N 3.14Å; A149-V151 VanDerWaalsContact O-N 3.17Å; V151-E153 VanDerWaalsContact C-N 3.31Å; V151-E153 PolarHBondContact O-N 2.87Å; V151-Q154 PolarHBondContact O-N 2.9Å; V151-W155 VanDerWaalsContact O-CD1 3.29Å; V151-W155 PolarHBondContact O-N 3.2Å
152A98.5Very high98.3Very high7 Ų765 Ų656%0.05834%0.34CS..Hα-helixtrans-61.2-37.3176.500000112.6L125 R130 W132 H150 Q154 W155 R156L125-A152 HydrophobicContact CD1-CB 3.95Å; R130-A152 WeakPolarHBondContact O-CB 3.09Å; W132-A152 HydrophobicContact CZ2-CB 4.28Å; H150-A152 PolarHBondContact O-N 3.12Å; A152-Q154 VanDerWaalsContact C-N 3.35Å; A152-Q154 PolarHBondContact O-N 2.88Å; A152-W155 PolarHBondContact O-N 3.2Å; A152-R156 VanDerWaalsContact O-CB 3.28Å; A152-R156 WeakPolarHBondContact O-CB 3.43Å; A152-R156 PolarHBondContact O-N 3.2Å
153E98.1Very high98.3Very high124 Ų12464.1 Ų64.158%0.57934%0.335SS*.Hα-helixtrans-66.6-38.6-179.1-64.6174.4-157.300111.6H150 V151 R156 A157H150-E153 HydrophobicContact CB-CG 4.45Å; H150-E153 IonicContact CE1-OE1 2.72Å; H150-E153 IonicContact CG-OE1 3.45Å; H150-E153 IonicContact ND1-OE1 3.09Å; H150-E153 PolarHBondContact ND1-OE1 2.62Å; H150-E153 PolarHBondContact O-N 3.23Å; H150-E153 VanDerWaalsContact O-N 3.09Å; V151-E153 VanDerWaalsContact C-N 3.31Å; V151-E153 PolarHBondContact O-N 2.87Å; E153-R156 PolarHBondContact O-N 3.31Å; E153-A157 WeakPolarHBondContact O-CB 3.22Å; E153-A157 PolarHBondContact O-N 2.79Å
154Q97.6Very high98.3Very high135 Ų13562.5 Ų62.563%0.63133%0.328SS*.Hα-helixtrans-64.7-46.3175.9-59.8179.714.800111.2V151 A152 A157 Y158V151-Q154 PolarHBondContact O-N 2.9Å; A152-Q154 VanDerWaalsContact C-N 3.35Å; A152-Q154 PolarHBondContact O-N 2.88Å; Q154-A157 PolarHBondContact O-N 2.83Å; Q154-Y158 PolarHBondContact O-N 2.88Å; Q154-Y158 VanDerWaalsContact O-N 3.1Å
155W98.4Very high98.3Very high50 Ų5062.9 Ų62.919%0.18933%0.33CS..Hα-helixtrans-64.4-41.8176.5-80.2108.7000111.9Y98 R113 L125 W132 V151 A152 A157 Y158 L159Y98-W155 HydrophobicContact CD1-CH2 4.28Å; Y98-W155 HydrophobicContact CD1-CZ3 4.44Å; Y98-W155 AromaticContact CD2-CZ3 3.97Å; Y98-W155 HydrophobicContact CD2-CZ3 3.97Å; Y98-W155 HydrophobicContact CG-CH2 4.24Å; Y98-W155 AromaticContact CG-CZ3 3.94Å; Y98-W155 HydrophobicContact CG-CZ3 3.94Å; R113-W155 VanDerWaalsContact CD-CE2 3.46Å; R113-W155 VanDerWaalsContact CD-CZ2 3.48Å; R113-W155 HydrophobicContact CG-CD2 3.97Å; R113-W155 HydrophobicContact CG-CE3 4.41Å; R113-W155 HydrophobicContact CG-CG 4.21Å; R113-W155 HydrophobicContact CG-CZ2 4.49Å; R113-W155 VanDerWaalsContact NE-CE2 3.27Å; L125-W155 HydrophobicContact CD2-CB 4.08Å; W132-W155 AromaticContact CH2-CD1 3.93Å; V151-W155 VanDerWaalsContact O-CD1 3.29Å; V151-W155 PolarHBondContact O-N 3.2Å; A152-W155 PolarHBondContact O-N 3.2Å; W155-A157 PolarHBondContact O-N 3.46Å; W155-Y158 HydrophobicContact CE3-CD1 4.11Å; W155-Y158 HydrophobicContact CZ3-CD1 4.06Å; W155-Y158 HydrophobicContact CZ3-CE1 4.39Å; W155-Y158 PolarHBondContact O-N 2.81Å; W155-L159 HydrophobicContact CB-CD1 4.38Å; W155-L159 VanDerWaalsContact O-CB 3.28Å; W155-L159 WeakPolarHBondContact O-CB 3.36Å; W155-L159 WeakPolarHBondContact O-CG 3.35Å; W155-L159 PolarHBondContact O-N 3.23Å
156R98.6Very high98.3Very high77 Ų7759.3 Ų59.329%0.29131%0.314SS..Hα-helixtrans-58.3-47.2176.2-175.4174.2179.1-144.1-14.4111.7L129 A152 E153 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.05Å; L129-R156 HydrophobicContact CB-CG 3.87Å; L129-R156 HydrophobicContact CD1-CG 4.11Å; A152-R156 VanDerWaalsContact O-CB 3.28Å; A152-R156 WeakPolarHBondContact O-CB 3.43Å; A152-R156 PolarHBondContact O-N 3.2Å; E153-R156 PolarHBondContact O-N 3.31Å; R156-Y158 VanDerWaalsContact C-N 3.33Å; R156-Y158 PolarHBondContact O-N 2.86Å; R156-L159 PolarHBondContact O-N 3.24Å; R156-E160 HydrophobicContact CG-CG 4.18Å; R156-E160 WeakPolarHBondContact CG-OE1 3.43Å; R156-E160 IonicContact CZ-OE1 3.91Å; R156-E160 IonicContact CZ-OE2 3.84Å; R156-E160 IonicContact NE-OE1 3.74Å; R156-E160 PolarHBondContact NE-OE1 3.19Å; R156-E160 IonicContact NE-OE2 3.46Å; R156-E160 PolarHBondContact NE-OE2 2.84Å; R156-E160 IonicContact NH2-OE1 2.92Å; R156-E160 PolarHBondContact NH2-OE1 2.6Å; R156-E160 IonicContact NH2-OE2 3.46Å; R156-E160 PolarHBondContact NH2-OE2 2.93Å; R156-E160 WeakPolarHBondContact O-CB 3.34Å; R156-E160 PolarHBondContact O-N 3.4Å
157A98.5Very high98.3Very high66 Ų6656.9 Ų56.955%0.54530%0.304SS..Hα-helixtrans-59.9-41.9177.400000112.3E153 Q154 W155 G161E153-A157 WeakPolarHBondContact O-CB 3.22Å; E153-A157 PolarHBondContact O-N 2.79Å; Q154-A157 PolarHBondContact O-N 2.83Å; W155-A157 PolarHBondContact O-N 3.46Å; A157-G161 PolarHBondContact O-N 3.09Å; A157-G161 VanDerWaalsContact O-N 3.16Å
158Y98.4Very high98.3Very high58 Ų5858.9 Ų58.923%0.22731%0.309CS..Iπ-helixtrans-65.6-47.5175.1172.5-97.8000112.4Y98 Q154 W155 R156 T162 C163Y98-Y158 AromaticContact CD2-CE1 3.85Å; Y98-Y158 HydrophobicContact CD2-CE1 3.85Å; Y98-Y158 AromaticContact CE2-CE1 3.74Å; Y98-Y158 HydrophobicContact CE2-CE1 3.74Å; Y98-Y158 AromaticContact CE2-CZ 3.96Å; Q154-Y158 PolarHBondContact O-N 2.88Å; Q154-Y158 VanDerWaalsContact O-N 3.1Å; W155-Y158 HydrophobicContact CE3-CD1 4.11Å; W155-Y158 HydrophobicContact CZ3-CD1 4.06Å; W155-Y158 HydrophobicContact CZ3-CE1 4.39Å; W155-Y158 PolarHBondContact O-N 2.81Å; R156-Y158 VanDerWaalsContact C-N 3.33Å; R156-Y158 PolarHBondContact O-N 2.86Å; Y158-T162 HydrophobicContact CD2-CG2 4.05Å; Y158-T162 HydrophobicContact CE2-CG2 3.91Å; Y158-T162 PolarHBondContact O-N 3.09Å; Y158-T162 VanDerWaalsContact O-N 3.13Å; Y158-C163 HydrophobicContact CD1-CB 4.32Å; Y158-C163 HydrophobicContact CE1-CB 3.9Å; Y158-C163 WeakPolarHBondContact O-CB 3.49Å; Y158-C163 PolarHBondContact O-N 3.12Å
159L98.8Very high98.3Very high0 Ų060.8 Ų60.80%030%0.298CS..Iπ-helixtrans-70.8-42.6-172.9-69.5171.8000112.5G99 F108 L125 L129 W155 R156 V164G99-L159 WeakPolarHBondContact O-CD2 3.47Å; F108-L159 WeakPolarHBondContact CE2-O 3.43Å; L125-L159 HydrophobicContact CD2-CD1 3.96Å; L129-L159 HydrophobicContact CD2-CD1 4.08Å; W155-L159 HydrophobicContact CB-CD1 4.38Å; W155-L159 VanDerWaalsContact O-CB 3.28Å; W155-L159 WeakPolarHBondContact O-CB 3.36Å; W155-L159 WeakPolarHBondContact O-CG 3.35Å; W155-L159 PolarHBondContact O-N 3.23Å; R156-L159 PolarHBondContact O-N 3.24Å; L159-V164 WeakPolarHBondContact O-CG2 3.33Å
160E98.5Very high98.3Very high77 Ų7758.2 Ų58.236%0.3628%0.277SS..Iπ-helixtrans-77.3-25.5178.1-67.5-178.6179.700112.4F108 L129 R156F108-E160 HydrophobicContact CD1-CG 4.18Å; F108-E160 HydrophobicContact CE1-CG 3.94Å; F108-E160 HydrophobicContact CE2-CG 4.4Å; F108-E160 HydrophobicContact CZ-CG 4.05Å; L129-E160 HydrophobicContact CD1-CG 3.99Å; R156-E160 HydrophobicContact CG-CG 4.18Å; R156-E160 WeakPolarHBondContact CG-OE1 3.43Å; R156-E160 IonicContact CZ-OE1 3.91Å; R156-E160 IonicContact CZ-OE2 3.84Å; R156-E160 IonicContact NE-OE1 3.74Å; R156-E160 PolarHBondContact NE-OE1 3.19Å; R156-E160 IonicContact NE-OE2 3.46Å; R156-E160 PolarHBondContact NE-OE2 2.84Å; R156-E160 IonicContact NH2-OE1 2.92Å; R156-E160 PolarHBondContact NH2-OE1 2.6Å; R156-E160 IonicContact NH2-OE2 3.46Å; R156-E160 PolarHBondContact NH2-OE2 2.93Å; R156-E160 WeakPolarHBondContact O-CB 3.34Å; R156-E160 PolarHBondContact O-N 3.4Å
161G98.4Very high98.3Very high24 Ų2453.7 Ų53.725%0.24726%0.256CS..Iπ-helixtrans-108-91.9-176.700000113.3A157 C163 V164 E165A157-G161 PolarHBondContact O-N 3.09Å; A157-G161 VanDerWaalsContact O-N 3.16Å; G161-C163 VanDerWaalsContact C-N 3.3Å; G161-C163 PolarHBondContact O-N 2.73Å; G161-V164 WeakPolarHBondContact O-CB 3.21Å; G161-V164 PolarHBondContact O-N 3.01Å; G161-E165 PolarHBondContact O-N 2.84Å
162T98.2Very high98.3Very high57 Ų5760.8 Ų60.835%0.3529%0.286SS..Iπ-helixtrans-54.4-41.1-170.2-57.50000113.4Y158 V164 E165 W166Y158-T162 HydrophobicContact CD2-CG2 4.05Å; Y158-T162 HydrophobicContact CE2-CG2 3.91Å; Y158-T162 PolarHBondContact O-N 3.09Å; Y158-T162 VanDerWaalsContact O-N 3.13Å; T162-V164 PolarHBondContact O-N 2.87Å; T162-E165 PolarHBondContact O-N 3.32Å; T162-W166 PolarHBondContact O-N 2.92Å
163C98.6Very high98.2Very high0 Ų062.7 Ų62.70%030%0.295CS..Hα-helixtrans-60-47.1177.9-175.60000111.5M4 C100 Y158 G161 W166 L167M4-C163 HydrophobicContact CE-CB 4.17Å; M4-C163 VanDerWaalsContact CE-O 3.27Å; M4-C163 WeakPolarHBondContact CE-O 3.42Å; M4-C163 WeakPolarHBondContact CE-SG 3.39Å; C100-C163 HydrophobicContact CB-CB 3.89Å; C100-C163 WeakPolarHBondContact CB-SG 3.45Å; C100-C163 PolarHBondContact N-SG 2.86Å; C100-C163 WeakPolarHBondContact SG-CB 3.33Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.92Å; Y158-C163 HydrophobicContact CD1-CB 4.32Å; Y158-C163 HydrophobicContact CE1-CB 3.9Å; Y158-C163 WeakPolarHBondContact O-CB 3.49Å; Y158-C163 PolarHBondContact O-N 3.12Å; G161-C163 VanDerWaalsContact C-N 3.3Å; G161-C163 PolarHBondContact O-N 2.73Å; C163-W166 PolarHBondContact O-N 2.74Å; C163-L167 WeakPolarHBondContact O-CB 3.38Å; C163-L167 PolarHBondContact O-N 2.76Å
164V98.7Very high98.1Very high7 Ų757 Ų574%0.04227%0.269CS..Hα-helixtrans-64.5-41.6179.1172.50000111.2V102 F108 L159 G161 T162 L167 R168V102-V164 HydrophobicContact CG1-CB 4.41Å; V102-V164 HydrophobicContact CG1-CG1 3.94Å; V102-V164 HydrophobicContact CG1-CG2 4.07Å; F108-V164 HydrophobicContact CB-CG2 3.97Å; F108-V164 HydrophobicContact CD2-CG2 3.63Å; F108-V164 HydrophobicContact CG-CG2 4.27Å; L159-V164 WeakPolarHBondContact O-CG2 3.33Å; G161-V164 WeakPolarHBondContact O-CB 3.21Å; G161-V164 PolarHBondContact O-N 3.01Å; T162-V164 PolarHBondContact O-N 2.87Å; V164-L167 PolarHBondContact O-N 3.46Å; V164-R168 WeakPolarHBondContact O-CB 3.48Å; V164-R168 VanDerWaalsContact O-CG 3.3Å; V164-R168 WeakPolarHBondContact O-CG 3.45Å; V164-R168 PolarHBondContact O-N 2.72Å
165E98.4Very high98Very high126 Ų12656.7 Ų56.759%0.58927%0.266SS*.Hα-helixtrans-61.3-46.6176.9-70177169.400112.2G161 T162 R168 R169G161-E165 PolarHBondContact O-N 2.84Å; T162-E165 PolarHBondContact O-N 3.32Å; E165-R168 PolarHBondContact O-N 2.82Å; E165-R169 PolarHBondContact O-N 3.08Å
166W98.3Very high97.8Very high44 Ų4462.9 Ų62.917%0.16730%0.296CS..Hα-helixtrans-65.8-44176.9-80.9108.4000112.2M4 Y58 T162 C163 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.02Å; M4-W166 HydrophobicContact SD-CB 4.34Å; Y58-W166 AromaticContact CD2-CH2 3.62Å; Y58-W166 HydrophobicContact CD2-CH2 3.62Å; Y58-W166 HydrophobicContact CD2-CZ2 4.34Å; Y58-W166 AromaticContact CD2-CZ3 3.77Å; Y58-W166 HydrophobicContact CD2-CZ3 3.77Å; Y58-W166 HydrophobicContact CE2-CE3 4.19Å; Y58-W166 AromaticContact CE2-CH2 4Å; Y58-W166 HydrophobicContact CE2-CH2 4Å; Y58-W166 AromaticContact CE2-CZ3 3.76Å; Y58-W166 HydrophobicContact CE2-CZ3 3.76Å; T162-W166 PolarHBondContact O-N 2.92Å; C163-W166 PolarHBondContact O-N 2.74Å; W166-R168 VanDerWaalsContact C-N 3.33Å; W166-R168 PolarHBondContact O-N 3Å; W166-R169 WeakPolarHBondContact O-CB 3.46Å; W166-R169 PolarHBondContact O-N 3.49Å; W166-R169 VanDerWaalsContact O-N 3.13Å; W166-Y170 HydrophobicContact CB-CE2 4Å; W166-Y170 HydrophobicContact CE3-CD1 4.39Å; W166-Y170 AromaticContact CE3-CE1 3.44Å; W166-Y170 HydrophobicContact CE3-CE1 3.44Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.44Å; W166-Y170 HydrophobicContact CE3-CE2 4.34Å; W166-Y170 AromaticContact CE3-CZ 3.4Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.4Å; W166-Y170 AromaticContact CZ3-CE1 3.9Å; W166-Y170 HydrophobicContact CZ3-CE1 3.9Å; W166-Y170 WeakPolarHBondContact O-CD2 2.89Å; W166-Y170 PolarHBondContact O-N 2.81Å
167L98.6Very high97.5Very high0 Ų061.3 Ų61.30%030%0.296CS..Hα-helixtrans-58.6-45.1176.8175.851.8000111.3H2 M4 V27 V102 C163 V164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.41Å; M4-L167 HydrophobicContact CB-CB 4.09Å; M4-L167 HydrophobicContact CB-CD1 4.03Å; M4-L167 HydrophobicContact CB-CD2 4.13Å; M4-L167 HydrophobicContact CB-CG 4.3Å; V27-L167 HydrophobicContact CG1-CD1 3.62Å; V27-L167 HydrophobicContact CG2-CD1 4.3Å; V102-L167 HydrophobicContact CB-CD2 4.35Å; V102-L167 HydrophobicContact CG1-CD2 3.96Å; V102-L167 HydrophobicContact CG2-CD2 3.62Å; V102-L167 HydrophobicContact CG2-CG 4.14Å; C163-L167 WeakPolarHBondContact O-CB 3.38Å; C163-L167 PolarHBondContact O-N 2.76Å; V164-L167 PolarHBondContact O-N 3.46Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 2.75Å; L167-Y170 PolarHBondContact O-N 2.89Å; L167-L171 HydrophobicContact CD1-CD1 3.82Å; L167-L171 HydrophobicContact CD1-CD2 4.45Å; L167-L171 HydrophobicContact CD1-CG 3.87Å; L167-L171 HydrophobicContact CG-CD1 3.98Å; L167-L171 HydrophobicContact CG-CG 4.48Å; L167-L171 WeakPolarHBondContact O-CB 3.45Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.14Å; L167-L171 PolarHBondContact O-N 2.98Å
168R98.2Very high97.3Very high120 Ų12058.3 Ų58.345%0.45327%0.27SS..Hα-helixtrans-60.2-42.2175.1-73.1172.8-179.7176.30.2112.4G106 V164 E165 W166 K172G106-R168 PolarHBondContact O-NE 2.88Å; G106-R168 PolarHBondContact O-NH2 2.66Å; V164-R168 WeakPolarHBondContact O-CB 3.48Å; V164-R168 VanDerWaalsContact O-CG 3.3Å; V164-R168 WeakPolarHBondContact O-CG 3.45Å; V164-R168 PolarHBondContact O-N 2.72Å; E165-R168 PolarHBondContact O-N 2.82Å; W166-R168 VanDerWaalsContact C-N 3.33Å; W166-R168 PolarHBondContact O-N 3Å; R168-K172 PolarHBondContact O-N 2.8Å
169R97.8Very high97.1Very high120 Ų12059.8 Ų59.845%0.45328%0.279SS..Hα-helixtrans-62.6-45.6176.2178.8174.5174.1127.7-3111.1E54 E165 W166 L167 K172 N173E54-R169 IonicContact OE1-CZ 2.82Å; E54-R169 IonicContact OE1-NE 2.75Å; E54-R169 PolarHBondContact OE1-NE 3.16Å; E54-R169 IonicContact OE1-NH2 3.38Å; E54-R169 PolarHBondContact OE1-NH2 3.18Å; E54-R169 IonicContact OE2-CZ 3.93Å; E54-R169 IonicContact OE2-NE 3.46Å; E54-R169 PolarHBondContact OE2-NE 3.46Å; E54-R169 IonicContact OE2-NH2 3.73Å; E54-R169 PolarHBondContact OE2-NH2 3.12Å; E165-R169 PolarHBondContact O-N 3.08Å; W166-R169 WeakPolarHBondContact O-CB 3.46Å; W166-R169 PolarHBondContact O-N 3.49Å; W166-R169 VanDerWaalsContact O-N 3.13Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 2.75Å; R169-K172 WeakPolarHBondContact O-CB 3.39Å; R169-K172 PolarHBondContact O-N 3.32Å; R169-N173 VanDerWaalsContact O-CB 3.31Å; R169-N173 WeakPolarHBondContact O-CB 3.45Å; R169-N173 PolarHBondContact O-N 2.92Å; R169-N173 PolarHBondContact O-OD1 2.88Å
170Y98.2Very high96.9Very high1 Ų163.5 Ų63.50%0.00429%0.293CS..Hα-helixtrans-65.3-41.4178.7-61.1-25.2000112.6M4 V27 F32 W50 I51 Y58 W166 L167 K172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.7Å; M4-Y170 HydrophobicContact SD-CE2 3.52Å; M4-Y170 VanDerWaalsContact SD-CE2 3.52Å; V27-Y170 HydrophobicContact CG2-CD2 3.94Å; V27-Y170 HydrophobicContact CG2-CG 4.46Å; F32-Y170 HydrophobicContact CD2-CE2 4.44Å; F32-Y170 HydrophobicContact CE2-CD2 4.21Å; F32-Y170 AromaticContact CE2-CE2 3.62Å; F32-Y170 HydrophobicContact CE2-CE2 3.62Å; F32-Y170 AromaticContact CE2-CZ 3.98Å; F32-Y170 HydrophobicContact CZ-CD2 4.25Å; F32-Y170 AromaticContact CZ-CE2 3.76Å; F32-Y170 HydrophobicContact CZ-CE2 3.76Å; W50-Y170 HydrophobicContact CH2-CG 4.29Å; W50-Y170 AromaticContact CZ3-CD1 3.85Å; W50-Y170 HydrophobicContact CZ3-CD1 3.85Å; W50-Y170 HydrophobicContact CZ3-CD2 4.41Å; W50-Y170 AromaticContact CZ3-CG 3.72Å; W50-Y170 HydrophobicContact CZ3-CG 3.72Å; I51-Y170 HydrophobicContact CD1-CD1 3.71Å; I51-Y170 HydrophobicContact CD1-CE1 3.25Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.35Å; Y58-Y170 VanDerWaalsContact CZ-OH 3.26Å; Y58-Y170 PolarHBondContact OH-OH 3.21Å; W166-Y170 HydrophobicContact CB-CE2 4Å; W166-Y170 HydrophobicContact CE3-CD1 4.39Å; W166-Y170 AromaticContact CE3-CE1 3.44Å; W166-Y170 HydrophobicContact CE3-CE1 3.44Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.44Å; W166-Y170 HydrophobicContact CE3-CE2 4.34Å; W166-Y170 AromaticContact CE3-CZ 3.4Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.4Å; W166-Y170 AromaticContact CZ3-CE1 3.9Å; W166-Y170 HydrophobicContact CZ3-CE1 3.9Å; W166-Y170 WeakPolarHBondContact O-CD2 2.89Å; W166-Y170 PolarHBondContact O-N 2.81Å; L167-Y170 PolarHBondContact O-N 2.89Å; Y170-K172 VanDerWaalsContact C-N 3.28Å; Y170-K172 PolarHBondContact O-N 2.83Å; Y170-N173 PolarHBondContact O-N 3.14Å; Y170-G174 PolarHBondContact O-N 3.22Å; Y170-L178 WeakPolarHBondContact O-CD1 3.47Å
171L97.6Very high96.7Very high14 Ų1462.9 Ų62.97%0.07330%0.295CS..Hα-helixtrans-62.5-34.8174.3-71.1168.7000112.6H2 V27 V102 L167 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.67Å; H2-L171 HydrophobicContact CB-CD2 4Å; H2-L171 HydrophobicContact CB-CG 4.41Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.42Å; V27-L171 HydrophobicContact CG1-CD2 4.09Å; V102-L171 HydrophobicContact CG2-CD1 4.43Å; L167-L171 HydrophobicContact CD1-CD1 3.82Å; L167-L171 HydrophobicContact CD1-CD2 4.45Å; L167-L171 HydrophobicContact CD1-CG 3.87Å; L167-L171 HydrophobicContact CG-CD1 3.98Å; L167-L171 HydrophobicContact CG-CG 4.48Å; L167-L171 WeakPolarHBondContact O-CB 3.45Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.14Å; L167-L171 PolarHBondContact O-N 2.98Å; L171-K175 VanDerWaalsContact O-CA 3.31Å; L171-K175 WeakPolarHBondContact O-CA 3.32Å; L171-K175 PolarHBondContact O-N 3.21Å; L171-L178 HydrophobicContact CD2-CB 4.14Å; L171-L178 HydrophobicContact CD2-CD1 4.32Å; L171-Q179 PolarHBondContact O-NE2 3.3Å; L171-Q179 VanDerWaalsContact O-NE2 3.13Å
172K97.1Very high96.6Very high170 Ų17064.3 Ų64.374%0.73930%0.297SS*.Hα-helixtrans-69.1-46.1173.5-176.1-178.6178.5-176.60111.4R168 R169 Y170R168-K172 PolarHBondContact O-N 2.8Å; R169-K172 WeakPolarHBondContact O-CB 3.39Å; R169-K172 PolarHBondContact O-N 3.32Å; Y170-K172 VanDerWaalsContact C-N 3.28Å; Y170-K172 PolarHBondContact O-N 2.83Å
173N97.3Very high96.6Very high47 Ų4763.9 Ų63.925%0.25130%0.299SS..Hα-helixtrans-66.4-44.3-177.4-76.52.9000112.4Q53 E54 R169 Y170Q53-N173 PolarHBondContact NE2-ND2 3.24Å; E54-N173 PolarHBondContact OE1-ND2 3.14Å; R169-N173 VanDerWaalsContact O-CB 3.31Å; R169-N173 WeakPolarHBondContact O-CB 3.45Å; R169-N173 PolarHBondContact O-N 2.92Å; R169-N173 PolarHBondContact O-OD1 2.88Å; Y170-N173 PolarHBondContact O-N 3.14Å
174G96.6Very high96.6Very high3 Ų364.3 Ų64.33%0.03130%0.302CS..THydrogen-bonded Turntrans-10024.9-178.100000113.6W50 Y170 E176 T177 L178W50-G174 VanDerWaalsContact CG-CA 3.48Å; Y170-G174 PolarHBondContact O-N 3.22Å; G174-E176 VanDerWaalsContact C-N 3.25Å; G174-E176 PolarHBondContact O-N 3.17Å; G174-E176 VanDerWaalsContact O-N 3.14Å; G174-T177 PolarHBondContact O-N 3.47Å; G174-L178 WeakPolarHBondContact O-CB 3.31Å; G174-L178 PolarHBondContact O-N 3.3Å
175K95.4Very high96.6Very high130 Ų13070.8 Ų70.857%0.56533%0.329SS*.Hα-helixtrans-48.8-45.5-172.7-176-178.2178.6-174.10113L171 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.31Å; L171-K175 WeakPolarHBondContact O-CA 3.32Å; L171-K175 PolarHBondContact O-N 3.21Å; K175-T177 VanDerWaalsContact C-N 3.25Å; K175-T177 PolarHBondContact O-N 3.04Å; K175-Q179 WeakPolarHBondContact O-CB 3.44Å; K175-Q179 PolarHBondContact O-N 3.44Å; K175-Q179 VanDerWaalsContact O-N 3.16Å
176E93.4Very high96.5Very high179 Ų17966.6 Ų66.684%0.83631%0.313SS*.Hα-helixtrans-66.8-24-178.2-63.2-178.9171.900113.7G174G174-E176 VanDerWaalsContact C-N 3.25Å; G174-E176 PolarHBondContact O-N 3.17Å; G174-E176 VanDerWaalsContact O-N 3.14Å
177T93.1Very high96.3Very high45 Ų4568.3 Ų68.328%0.27632%0.322SS..Hα-helixtrans-102.1-43-178.8-48.50000112.2G174 K175 R180G174-T177 PolarHBondContact O-N 3.47Å; K175-T177 VanDerWaalsContact C-N 3.25Å; K175-T177 PolarHBondContact O-N 3.04Å; T177-R180 VanDerWaalsContact O-CG 3.3Å; T177-R180 WeakPolarHBondContact O-CG 3.43Å
178L94.3Very high96.1Very high3 Ų370 Ų702%0.01633%0.331CS..Hα-helixtrans-84.9-27.1-171.8-62.7172.1000112.9V27 T30 W50 Y170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.26Å; V27-L178 HydrophobicContact CB-CD2 4.07Å; V27-L178 HydrophobicContact CG1-CD1 3.89Å; V27-L178 HydrophobicContact CG1-CD2 4.06Å; V27-L178 HydrophobicContact CG1-CG 4.49Å; T30-L178 HydrophobicContact CG2-CD2 4.12Å; W50-L178 HydrophobicContact CD2-CD1 4.44Å; W50-L178 HydrophobicContact CH2-CD1 4.24Å; W50-L178 HydrophobicContact CZ2-CD1 3.83Å; W50-L178 HydrophobicContact CZ2-CD2 4.02Å; W50-L178 HydrophobicContact CZ2-CG 4.29Å; Y170-L178 WeakPolarHBondContact O-CD1 3.47Å; L171-L178 HydrophobicContact CD2-CB 4.14Å; L171-L178 HydrophobicContact CD2-CD1 4.32Å; G174-L178 WeakPolarHBondContact O-CB 3.31Å; G174-L178 PolarHBondContact O-N 3.3Å
179Q92.9Very high95.9Very high89 Ų8966 Ų6642%0.41632%0.319SS..SBendtrans-107.416.2178.9-56.4177.526.800112L171 K175L171-Q179 PolarHBondContact O-NE2 3.3Å; L171-Q179 VanDerWaalsContact O-NE2 3.13Å; K175-Q179 WeakPolarHBondContact O-CB 3.44Å; K175-Q179 PolarHBondContact O-N 3.44Å; K175-Q179 VanDerWaalsContact O-N 3.16Å
180R94.7Very high95.8Very high78 Ų7863.4 Ų63.429%0.29431%0.312SS..  trans-79.6158.4170.880.6-172.2171.8178.33.8110T177 D182 Y208 G238T177-R180 VanDerWaalsContact O-CG 3.3Å; T177-R180 WeakPolarHBondContact O-CG 3.43Å; R180-D182 IonicContact CZ-OD2 3.39Å; R180-D182 IonicContact NE-OD2 3.51Å; R180-D182 PolarHBondContact NE-OD2 2.88Å; R180-Y208 HydrophobicContact CG-CD1 3.79Å; R180-Y208 HydrophobicContact CG-CE1 4.25Å; R180-Y208 HydrophobicContact CG-CG 4.5Å; R180-Y208 WeakPolarHBondContact O-CD1 3.39Å; R180-G238 PolarHBondContact NH2-O 3.03Å
181T95.6Very high95.4Very high64 Ų6467.5 Ų67.539%0.39333%0.331SS..  trans-136.6114172-140000107.8Y208 E263 G264T181-Y208 WeakPolarHBondContact CA-O 3.22Å; T181-E263 HydrophobicContact CG2-CB 3.93Å; T181-E263 HydrophobicContact CG2-CG 3.99Å; T181-G264 VanDerWaalsContact CG2-CA 3.45Å; T181-G264 VanDerWaalsContact CG2-N 3.28Å
182D96.8Very high95.1Very high54 Ų5470.7 Ų70.729%0.28936%0.359SS..BIsolated β-bridgetrans-103.8115.4-178.5-62.5-33.9000108.1R180 F207 Y208 H262R180-D182 IonicContact CZ-OD2 3.39Å; R180-D182 IonicContact NE-OD2 3.51Å; R180-D182 PolarHBondContact NE-OD2 2.88Å; D182-F207 VanDerWaalsContact O-CA 3.31Å; D182-F207 WeakPolarHBondContact O-CA 3.2Å; D182-F207 WeakPolarHBondContact O-CB 3.48Å; D182-Y208 PolarHBondContact N-O 3.32Å; D182-Y208 PolarHBondContact O-N 2.6Å; D182-H262 PolarHBondContact O-CE1 2.87Å
183A97.8Very high94.7Very high48 Ų4867 Ų6740%0.39735%0.351SS..  trans-66.1140.4-179.400000111.4K185 G264 L265A183-K185 PolarHBondContact O-N 3.16Å; A183-G264 WeakPolarHBondContact CB-O 3.17Å; A183-L265 HydrophobicContact CB-CD2 4.02Å
184P98.1Very high94.3Very high9 Ų967.1 Ų67.16%0.05836%0.356CS..  trans-64.8131.2179.426.9-34.8000111.9T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 4.11Å; P184-T186 HydrophobicContact CG-CG2 4.29Å; P184-T186 PolarHBondContact O-N 3.28Å; P184-A204 HydrophobicContact CB-CB 3.87Å; P184-F207 HydrophobicContact CB-CB 3.85Å; P184-F207 HydrophobicContact CB-CD1 4.02Å; P184-F207 HydrophobicContact CB-CG 4.19Å; P184-I212 HydrophobicContact CB-CD1 4.08Å; P184-I212 HydrophobicContact CG-CD1 4.12Å; P184-V260 HydrophobicContact CG-CG1 4.04Å; P184-H262 HydrophobicContact CG-CB 4.18Å; P184-L265 HydrophobicContact CG-CD1 3.87Å; P184-L265 HydrophobicContact CG-CD2 4.4Å; P184-L265 HydrophobicContact CG-CG 4.19Å
185K97.8Very high93.8Very high142 Ų14274.3 Ų74.362%0.61739%0.393SS*.EExtended strand (participates in β ladder)trans-76.6108164.4-65.3176.7-174.1168.50107.7A183 L205A183-K185 PolarHBondContact O-N 3.16Å; K185-L205 HydrophobicContact CB-CB 4.45Å; K185-L205 PolarHBondContact N-O 2.82Å; K185-L205 PolarHBondContact O-N 2.85Å
186T97Very high93.6Very high39 Ų3975 Ų7524%0.23940%0.399CS..EExtended strand (participates in β ladder)trans-103.2144.3-175.656.80000111.9P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 4.11Å; P184-T186 HydrophobicContact CG-CG2 4.29Å; P184-T186 PolarHBondContact O-N 3.28Å; T186-W203 WeakPolarHBondContact CA-O 3.5Å; T186-W203 WeakPolarHBondContact CB-O 3.43Å; T186-A204 HydrophobicContact CG2-CB 4.42Å; T186-V260 HydrophobicContact CG2-CG1 4.34Å; T186-V260 HydrophobicContact CG2-CG2 4.15Å; T186-L269 HydrophobicContact CG2-CD1 4.44Å; T186-L271 HydrophobicContact CG2-CD1 4.07Å
187H94.8Very high93.6Very high80 Ų8071 Ų7137%0.3738%0.379SS..EExtended strand (participates in β ladder)trans-156166.5170.669.9-77.8000110W203H187-W203 AromaticContact CD2-CD1 3.92Å; H187-W203 WeakPolarHBondContact CE1-CB 3.45Å; H187-W203 AromaticContact CE1-CD1 3.74Å; H187-W203 AromaticContact CE1-CG 3.44Å; H187-W203 VanDerWaalsContact CE1-CG 3.44Å; H187-W203 PolarHBondContact N-O 2.99Å; H187-W203 AromaticContact NE2-CD1 3.39Å; H187-W203 AromaticContact NE2-CG 3.58Å; H187-W203 AromaticContact NE2-NE1 3.93Å; H187-W203 PolarHBondContact O-N 3.19Å
188M94.9Very high93.6Very high36 Ų3668.9 Ų68.918%0.17737%0.367CS..EExtended strand (participates in β ladder)trans-119.5140.2178.5-70.3-176.26300111.1L200 R201 W216 L271 R272 W273M188-L200 HydrophobicContact CE-CB 4.48Å; M188-L200 HydrophobicContact CE-CD1 4.39Å; M188-R201 WeakPolarHBondContact CA-O 3.39Å; M188-W216 HydrophobicContact CE-CH2 3.37Å; M188-W216 HydrophobicContact CE-CZ2 4.22Å; M188-W216 HydrophobicContact CE-CZ3 4.14Å; M188-L271 HydrophobicContact CG-CB 4.37Å; M188-L271 HydrophobicContact SD-CB 3.78Å; M188-R272 VanDerWaalsContact SD-O 3.39Å; M188-W273 HydrophobicContact CE-CB 3.62Å; M188-W273 HydrophobicContact SD-CB 4.44Å; M188-W273 PolarHBondContact SD-N 3.19Å; M188-W273 VanDerWaalsContact SD-N 3.39Å
189T93.9Very high93.6Very high34 Ų3469.8 Ų69.821%0.20937%0.372CS..EExtended strand (participates in β ladder)trans-117.9141.4172.850.70000109.3R201 W203T189-R201 PolarHBondContact N-O 3.44Å; T189-R201 PolarHBondContact O-N 2.75Å; T189-R201 WeakPolarHBondContact OG1-CB 3.02Å; T189-R201 PolarHBondContact OG1-O 2.9Å; T189-W203 PolarHBondContact OG1-NE1 2.88Å
190H93.8Very high93.7Very high67 Ų6765.5 Ų65.531%0.3135%0.353SS..EExtended strand (participates in β ladder)trans-119.7127.7177.7165.1-78.7000108.8A198 L200 W273H190-A198 VanDerWaalsContact NE2-CB 3.27Å; H190-A198 WeakPolarHBondContact NE2-CB 3.24Å; H190-L200 HydrophobicContact CB-CD2 3.98Å; H190-W273 HydrophobicContact CB-CZ2 4.16Å; H190-W273 VanDerWaalsContact CB-NE1 3.26Å; H190-W273 AromaticContact CG-CE2 3.99Å; H190-W273 AromaticContact CG-CZ2 3.97Å; H190-W273 AromaticContact CG-NE1 4Å
191H91.7Very high93.8Very high87 Ų8764 Ų6440%0.40335%0.347SS..EExtended strand (participates in β ladder)trans-126.7113.1178.2-59.6-74.9000109V193 A198 T199 R201H191-V193 PolarHBondContact O-N 2.84Å; H191-A198 CarbonylContact O-C 3.51Å; H191-A198 VanDerWaalsContact O-CA 3.32Å; H191-A198 WeakPolarHBondContact O-CA 3.22Å; H191-T199 PolarHBondContact N-O 3.35Å; H191-T199 PolarHBondContact O-N 2.7Å; H191-R201 PolarHBondContact CD2-NH1 3.12Å; H191-R201 PolarHBondContact NE2-NH1 2.59Å
192A90.6Very high93.8Very high80 Ų8061 Ų6166%0.66133%0.328SS*.EExtended strand (participates in β ladder)trans-65.9127.5172.500000109.4
193V87.7Confident93.8Very high92 Ų9260.6 Ų60.656%0.55832%0.323SS*.  trans-98.8-41.5177.2-179.20000109.7H191 E197 T199H191-V193 PolarHBondContact O-N 2.84Å; V193-E197 PolarHBondContact N-O 2.86Å; V193-T199 VanDerWaalsContact CG2-OG1 3.31Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.42Å
194S88.8Confident93.8Very high51 Ų5158.3 Ų58.336%0.35730%0.304SS..SBendtrans-148.9-178.3174.671.30000110.4H196 E197S194-H196 PolarHBondContact O-N 3.04Å; S194-H196 VanDerWaalsContact O-N 3.16Å; S194-H196 PolarHBondContact OG-N 2.7Å; S194-H196 VanDerWaalsContact OG-N 3.17Å; S194-E197 PolarHBondContact N-O 2.82Å; S194-E197 VanDerWaalsContact O-O 3.09Å; S194-E197 PolarHBondContact OG-N 2.71Å
195D86.9Confident93.8Very high153 Ų15360.2 Ų60.282%0.81831%0.313SS*.SBendtrans-66-9.8172.4-65.2-22.1000113.4
196H90.8Very high93.8Very high146 Ų14655.4 Ų55.468%0.67630%0.298SS*.SBendtrans-116.4-15.1-176.1-56.6-42.5000113.4S194 P249 S250S194-H196 PolarHBondContact O-N 3.04Å; S194-H196 VanDerWaalsContact O-N 3.16Å; S194-H196 PolarHBondContact OG-N 2.7Å; S194-H196 VanDerWaalsContact OG-N 3.17Å; H196-P249 CarbonylContact O-C 3.58Å; H196-P249 WeakPolarHBondContact O-CA 3.34Å; H196-S250 PolarHBondContact O-N 3.01Å; H196-S250 PolarHBondContact O-OG 3Å
197E93.1Very high93.9Very high93 Ų9353.6 Ų53.644%0.43529%0.286SS..EExtended strand (participates in β ladder)trans-143.2143.2-171.6-66.6-179.7174.300112.3V193 S194 V247 V248 S250V193-E197 PolarHBondContact N-O 2.86Å; S194-E197 PolarHBondContact N-O 2.82Å; S194-E197 VanDerWaalsContact O-O 3.09Å; S194-E197 PolarHBondContact OG-N 2.71Å; E197-V247 HydrophobicContact CB-CG1 4.16Å; E197-V247 HydrophobicContact CG-CG1 4.34Å; E197-V248 WeakPolarHBondContact CA-O 3.47Å; E197-S250 PolarHBondContact N-OG 3.31Å
198A92.9Very high94Very high1 Ų150 Ų501%0.00827%0.269CS..EExtended strand (participates in β ladder)trans-131.6153.7171.100000110.5H190 H191 V248H190-A198 VanDerWaalsContact NE2-CB 3.27Å; H190-A198 WeakPolarHBondContact NE2-CB 3.24Å; H191-A198 CarbonylContact O-C 3.51Å; H191-A198 VanDerWaalsContact O-CA 3.32Å; H191-A198 WeakPolarHBondContact O-CA 3.22Å; A198-V248 HydrophobicContact CB-CG2 4.32Å; A198-V248 PolarHBondContact N-O 2.95Å; A198-V248 WeakPolarHBondContact O-CG2 3.41Å; A198-V248 PolarHBondContact O-N 3.05Å
199T94.4Very high94Very high22 Ų2249.2 Ų49.214%0.13527%0.267CS..EExtended strand (participates in β ladder)trans-97.1120.9168.6-54.80000109H191 V193 A245 V246H191-T199 PolarHBondContact N-O 3.35Å; H191-T199 PolarHBondContact O-N 2.7Å; V193-T199 VanDerWaalsContact CG2-OG1 3.31Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.42Å; T199-A245 HydrophobicContact CG2-CB 3.88Å; T199-V246 WeakPolarHBondContact CA-O 2.86Å
200L95.3Very high94.2Very high0 Ų048.4 Ų48.40%026%0.264CS..EExtended strand (participates in β ladder)trans-94.1127.7165.4-64.2-178.3000108.8M188 H190 W216 A245 V246 V248 E253 W273M188-L200 HydrophobicContact CE-CB 4.48Å; M188-L200 HydrophobicContact CE-CD1 4.39Å; H190-L200 HydrophobicContact CB-CD2 3.98Å; L200-W216 HydrophobicContact CB-CH2 3.61Å; L200-W216 HydrophobicContact CB-CZ2 3.77Å; L200-W216 HydrophobicContact CD1-CH2 3.97Å; L200-W216 HydrophobicContact CD1-CZ3 4.36Å; L200-W216 HydrophobicContact CG-CH2 4.46Å; L200-A245 CarbonylContact O-C 3.55Å; L200-A245 WeakPolarHBondContact O-CA 3.43Å; L200-V246 HydrophobicContact CB-CG1 4.18Å; L200-V246 PolarHBondContact N-O 3.24Å; L200-V246 PolarHBondContact O-N 3.37Å; L200-V248 HydrophobicContact CD1-CG1 3.99Å; L200-V248 HydrophobicContact CD1-CG2 4.04Å; L200-V248 HydrophobicContact CG-CG1 4.2Å; L200-V248 HydrophobicContact CG-CG2 3.87Å; L200-E253 HydrophobicContact CD1-CB 4.06Å; L200-E253 HydrophobicContact CD1-CG 4.41Å; L200-E253 HydrophobicContact CD2-CG 4.3Å; L200-W273 HydrophobicContact CD1-CB 4.29Å; L200-W273 HydrophobicContact CD2-CB 4.01Å; L200-W273 HydrophobicContact CD2-CD2 4.36Å; L200-W273 HydrophobicContact CD2-CG 3.83Å
201R96.2Very high94.3Very high47 Ų4752 Ų5218%0.17728%0.281CS..EExtended strand (participates in β ladder)trans-121.8124.2175.4-179.9-175-60.6115.8-0.5110.2M188 T189 H191 W203 W243 A245M188-R201 WeakPolarHBondContact CA-O 3.39Å; T189-R201 PolarHBondContact N-O 3.44Å; T189-R201 PolarHBondContact O-N 2.75Å; T189-R201 WeakPolarHBondContact OG1-CB 3.02Å; T189-R201 PolarHBondContact OG1-O 2.9Å; H191-R201 PolarHBondContact CD2-NH1 3.12Å; H191-R201 PolarHBondContact NE2-NH1 2.59Å; R201-W203 VanDerWaalsContact CD-NE1 3.35Å; R201-W203 HydrophobicContact CG-CZ2 4.4Å; R201-W243 HydrophobicContact CG-CB 4Å; R201-W243 HydrophobicContact CG-CD2 4.04Å; R201-W243 HydrophobicContact CG-CE3 3.76Å; R201-W243 HydrophobicContact CG-CG 4.19Å; R201-A245 HydrophobicContact CB-CB 3.94Å; R201-A245 HydrophobicContact CG-CB 4.12Å
202C96.6Very high94.6Very high0 Ų048.3 Ų48.30%026%0.264CS..EExtended strand (participates in β ladder)trans-97.8121.7177.3-1780000109.4W216 W243 V244 C258C202-W216 HydrophobicContact CB-CZ2 3.93Å; C202-W243 CarbonylContact O-C 3.52Å; C202-W243 WeakPolarHBondContact O-CA 3.34Å; C202-W243 WeakPolarHBondContact O-CB 3.4Å; C202-V244 HydrophobicContact CB-CG1 4.07Å; C202-V244 PolarHBondContact N-O 2.78Å; C202-V244 PolarHBondContact O-N 2.79Å; C202-C258 HydrophobicContact CB-CB 3.5Å; C202-C258 WeakPolarHBondContact CB-SG 3.49Å; C202-C258 WeakPolarHBondContact SG-CB 3.5Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.11Å
203W97.4Very high94.8Very high45 Ų4547.3 Ų47.317%0.1725%0.25CC..EExtended strand (participates in β ladder)trans-106.1141.3-178.1-68.288.5000110.9T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.5Å; T186-W203 WeakPolarHBondContact CB-O 3.43Å; H187-W203 AromaticContact CD2-CD1 3.92Å; H187-W203 WeakPolarHBondContact CE1-CB 3.45Å; H187-W203 AromaticContact CE1-CD1 3.74Å; H187-W203 AromaticContact CE1-CG 3.44Å; H187-W203 VanDerWaalsContact CE1-CG 3.44Å; H187-W203 PolarHBondContact N-O 2.99Å; H187-W203 AromaticContact NE2-CD1 3.39Å; H187-W203 AromaticContact NE2-CG 3.58Å; H187-W203 AromaticContact NE2-NE1 3.93Å; H187-W203 PolarHBondContact O-N 3.19Å; T189-W203 PolarHBondContact OG1-NE1 2.88Å; R201-W203 VanDerWaalsContact CD-NE1 3.35Å; R201-W203 HydrophobicContact CG-CZ2 4.4Å; W203-L205 HydrophobicContact CE3-CD2 3.96Å; W203-W243 HydrophobicContact CD2-CB 3.89Å; W203-W243 HydrophobicContact CD2-CG 4.34Å; W203-W243 HydrophobicContact CE3-CB 3.83Å; W203-W243 AromaticContact CE3-CD1 3.74Å; W203-W243 HydrophobicContact CE3-CG 4.06Å; W203-W243 HydrophobicContact CG-CB 4.29Å; W203-W243 AromaticContact CH2-CD1 3.59Å; W203-W243 HydrophobicContact CH2-CG 4.21Å; W203-W243 AromaticContact CH2-NE1 3.94Å; W203-W243 HydrophobicContact CZ2-CG 4.47Å; W203-W243 HydrophobicContact CZ3-CB 4.29Å; W203-W243 AromaticContact CZ3-CD1 3.3Å; W203-W243 HydrophobicContact CZ3-CG 4.01Å
204A98.1Very high95.2Very high0 Ų043.4 Ų43.40%023%0.226CC..EExtended strand (participates in β ladder)trans-123.3121.9162.900000108P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.87Å; T186-A204 HydrophobicContact CG2-CB 4.42Å; A204-F207 HydrophobicContact CB-CD1 4.07Å; A204-F207 HydrophobicContact CB-CE1 3.88Å; A204-F207 WeakPolarHBondContact O-CE1 3.3Å; A204-I212 HydrophobicContact CB-CD1 3.74Å; A204-L214 HydrophobicContact CB-CD1 4.04Å; A204-L214 HydrophobicContact CB-CD2 4.07Å; A204-Q241 CarbonylContact O-C 3.54Å; A204-Q241 VanDerWaalsContact O-CA 3.28Å; A204-Q241 WeakPolarHBondContact O-CA 3.39Å; A204-K242 PolarHBondContact N-O 3.5Å; A204-K242 PolarHBondContact O-N 2.89Å; A204-K242 VanDerWaalsContact O-O 3.08Å
205L98Very high95.5Very high50 Ų5043.2 Ų43.226%0.26222%0.222SC..EExtended strand (participates in β ladder)trans-126.8155.4-176-59179.5000111.3K185 W203 F207 Q241K185-L205 HydrophobicContact CB-CB 4.45Å; K185-L205 PolarHBondContact N-O 2.82Å; K185-L205 PolarHBondContact O-N 2.85Å; W203-L205 HydrophobicContact CE3-CD2 3.96Å; L205-F207 VanDerWaalsContact C-N 3.32Å; L205-F207 PolarHBondContact O-N 3.47Å; L205-Q241 HydrophobicContact CD2-CB 3.58Å
206S97.4Very high95.9Very high41 Ų4136 Ų3629%0.28718%0.184SC..EExtended strand (participates in β ladder)trans54.242.5171.2-55.30000114T239 F240S206-T239 WeakPolarHBondContact CA-OG1 3.41Å; S206-F240 PolarHBondContact N-O 3.26Å
207F97.8Very high96.2Very high0 Ų031 Ų310%016%0.161CC..EExtended strand (participates in β ladder)trans-107.9158.3177.461.5-90.6000112.6D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262D182-F207 VanDerWaalsContact O-CA 3.31Å; D182-F207 WeakPolarHBondContact O-CA 3.2Å; D182-F207 WeakPolarHBondContact O-CB 3.48Å; P184-F207 HydrophobicContact CB-CB 3.85Å; P184-F207 HydrophobicContact CB-CD1 4.02Å; P184-F207 HydrophobicContact CB-CG 4.19Å; A204-F207 HydrophobicContact CB-CD1 4.07Å; A204-F207 HydrophobicContact CB-CE1 3.88Å; A204-F207 WeakPolarHBondContact O-CE1 3.3Å; L205-F207 VanDerWaalsContact C-N 3.32Å; L205-F207 PolarHBondContact O-N 3.47Å; F207-P209 VanDerWaalsContact CD2-O 3.27Å; F207-P209 WeakPolarHBondContact CD2-O 3.31Å; F207-I212 HydrophobicContact CD1-CD1 3.97Å; F207-I212 HydrophobicContact CD2-CB 4.3Å; F207-I212 HydrophobicContact CD2-CD1 3.99Å; F207-I212 HydrophobicContact CE1-CD1 3.88Å; F207-I212 HydrophobicContact CE1-CG2 4.4Å; F207-I212 HydrophobicContact CE2-CB 3.73Å; F207-I212 HydrophobicContact CE2-CD1 3.93Å; F207-I212 HydrophobicContact CE2-CG1 4.41Å; F207-I212 HydrophobicContact CE2-CG2 3.59Å; F207-I212 HydrophobicContact CG-CD1 4.03Å; F207-I212 HydrophobicContact CZ-CB 4.1Å; F207-I212 HydrophobicContact CZ-CD1 3.9Å; F207-I212 HydrophobicContact CZ-CG2 3.51Å; F207-T232 HydrophobicContact CE2-CG2 4.11Å; F207-T232 HydrophobicContact CZ-CG2 3.85Å; F207-T239 CarbonylContact O-C 3.55Å; F207-T239 WeakPolarHBondContact O-CA 3.27Å; F207-F240 VanDerWaalsContact CD1-O 3.27Å; F207-F240 WeakPolarHBondContact CD1-O 3.04Å; F207-F240 HydrophobicContact CD2-CB 3.95Å; F207-F240 HydrophobicContact CE1-CB 4.2Å; F207-F240 WeakPolarHBondContact CE1-O 3.31Å; F207-F240 HydrophobicContact CE2-CB 3.49Å; F207-F240 VanDerWaalsContact CE2-CB 3.49Å; F207-F240 HydrophobicContact CE2-CG 4.47Å; F207-F240 HydrophobicContact CG-CB 4.45Å; F207-F240 HydrophobicContact CZ-CB 3.62Å; F207-F240 PolarHBondContact N-O 3.13Å; F207-F240 PolarHBondContact O-N 3.41Å; F207-K242 HydrophobicContact CE1-CB 4.32Å; F207-K242 HydrophobicContact CZ-CB 4.12Å; F207-H262 AromaticContact CD2-CD2 3.84Å; F207-H262 AromaticContact CD2-NE2 3.61Å
208Y96.9Very high96.2Very high4 Ų430.5 Ų30.52%0.01616%0.155CC..BIsolated β-bridgetrans-152.4135.8173.8-178.9-84.9000109.2D29 T30 R180 T181 D182 G238 F240 H262D29-Y208 HydrophobicContact CB-CE2 4.44Å; T30-Y208 PolarHBondContact OG1-OH 3Å; R180-Y208 HydrophobicContact CG-CD1 3.79Å; R180-Y208 HydrophobicContact CG-CE1 4.25Å; R180-Y208 HydrophobicContact CG-CG 4.5Å; R180-Y208 WeakPolarHBondContact O-CD1 3.39Å; T181-Y208 WeakPolarHBondContact CA-O 3.22Å; D182-Y208 PolarHBondContact N-O 3.32Å; D182-Y208 PolarHBondContact O-N 2.6Å; Y208-G238 WeakPolarHBondContact CD2-O 3.35Å; Y208-F240 HydrophobicContact CD2-CD2 4.36Å; Y208-F240 AromaticContact CD2-CE2 3.89Å; Y208-F240 HydrophobicContact CD2-CE2 3.89Å; Y208-F240 HydrophobicContact CE2-CE2 4.29Å; Y208-H262 PolarHBondContact O-CE1 3.44Å
209P96.2Very high96.2Very high21 Ų2135.2 Ų35.214%0.13618%0.18CC..SBendcis-74.3-176.64.832-37.5000114.2D29 F207 E211 H262D29-P209 WeakPolarHBondContact OD2-CB 3.32Å; F207-P209 VanDerWaalsContact CD2-O 3.27Å; F207-P209 WeakPolarHBondContact CD2-O 3.31Å; P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 2.74Å; P209-H262 PolarHBondContact O-NE2 3.22Å
210A96.9Very high96Very high16 Ų1636.5 Ų36.513%0.13220%0.198CC..SBendtrans-71-24.3-177.700000113.6D29 I212 T232 F240D29-A210 HydrophobicContact CB-CB 4.15Å; D29-A210 VanDerWaalsContact CG-CB 3.48Å; D29-A210 WeakPolarHBondContact OD2-CB 3.17Å; D29-A210 PolarHBondContact OD2-N 2.85Å; A210-I212 PolarHBondContact O-N 2.85Å; A210-I212 VanDerWaalsContact O-N 3.17Å; A210-T232 HydrophobicContact CB-CG2 4.27Å; A210-T232 WeakPolarHBondContact O-CG2 3.39Å; A210-F240 HydrophobicContact CB-CD1 3.72Å; A210-F240 HydrophobicContact CB-CD2 3.77Å; A210-F240 HydrophobicContact CB-CE1 3.69Å; A210-F240 HydrophobicContact CB-CE2 3.75Å; A210-F240 HydrophobicContact CB-CG 3.78Å; A210-F240 HydrophobicContact CB-CZ 3.74Å
211E96.5Very high95.9Very high143 Ų14342.9 Ų42.967%0.66823%0.227SC*.  trans-66.9112.7-179.1-17259.4-146.800110.7P209 H262P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 2.74Å; E211-H262 PolarHBondContact O-CD2 3.05Å; E211-H262 VanDerWaalsContact O-CD2 3.3Å
212I97.2Very high95.6Very high10 Ų1045.3 Ų45.35%0.05124%0.244CC..  trans-149141.8-179.4-162172.3000109.6P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 4.08Å; P184-I212 HydrophobicContact CG-CD1 4.12Å; A204-I212 HydrophobicContact CB-CD1 3.74Å; F207-I212 HydrophobicContact CD1-CD1 3.97Å; F207-I212 HydrophobicContact CD2-CB 4.3Å; F207-I212 HydrophobicContact CD2-CD1 3.99Å; F207-I212 HydrophobicContact CE1-CD1 3.88Å; F207-I212 HydrophobicContact CE1-CG2 4.4Å; F207-I212 HydrophobicContact CE2-CB 3.73Å; F207-I212 HydrophobicContact CE2-CD1 3.93Å; F207-I212 HydrophobicContact CE2-CG1 4.41Å; F207-I212 HydrophobicContact CE2-CG2 3.59Å; F207-I212 HydrophobicContact CG-CD1 4.03Å; F207-I212 HydrophobicContact CZ-CB 4.1Å; F207-I212 HydrophobicContact CZ-CD1 3.9Å; F207-I212 HydrophobicContact CZ-CG2 3.51Å; A210-I212 PolarHBondContact O-N 2.85Å; A210-I212 VanDerWaalsContact O-N 3.17Å; I212-L214 HydrophobicContact CB-CD1 4.4Å; I212-L214 HydrophobicContact CD1-CD1 3.6Å; I212-L214 HydrophobicContact CG1-CD1 3.61Å; I212-L214 HydrophobicContact CG2-CD1 4Å; I212-K242 HydrophobicContact CG2-CB 4.21Å; I212-K242 HydrophobicContact CG2-CD 3.55Å; I212-V260 HydrophobicContact CD1-CG1 3.98Å; I212-V260 HydrophobicContact CG1-CG1 4.34Å; I212-Q261 VanDerWaalsContact CG1-O 3.29Å; I212-Q261 WeakPolarHBondContact CG1-O 3.47Å; I212-H262 HydrophobicContact CD1-CB 4.24Å; I212-H262 HydrophobicContact CG1-CB 4Å
213T96.5Very high95.2Very high59 Ų5946.2 Ų46.236%0.36225%0.248SC..EExtended strand (participates in β ladder)trans-113.4123.4174.3-61.70000110T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 4.05Å; T213-V260 WeakPolarHBondContact O-CA 3.29Å; T213-Q261 PolarHBondContact N-O 3.26Å; T213-Q261 PolarHBondContact O-N 3.35Å
214L95.9Very high94.1Very high10 Ų1049.3 Ų49.35%0.05227%0.273CS..EExtended strand (participates in β ladder)trans-120.5122.7174.8-8969.8000108.5A204 I212 K242 V244 H259 V260A204-L214 HydrophobicContact CB-CD1 4.04Å; A204-L214 HydrophobicContact CB-CD2 4.07Å; I212-L214 HydrophobicContact CB-CD1 4.4Å; I212-L214 HydrophobicContact CD1-CD1 3.6Å; I212-L214 HydrophobicContact CG1-CD1 3.61Å; I212-L214 HydrophobicContact CG2-CD1 4Å; L214-K242 HydrophobicContact CD1-CD 4.27Å; L214-V244 HydrophobicContact CB-CB 4.31Å; L214-V244 HydrophobicContact CB-CG1 3.79Å; L214-V244 HydrophobicContact CD2-CG1 4.18Å; L214-V244 HydrophobicContact CG-CG1 4.47Å; L214-H259 WeakPolarHBondContact CA-O 3.21Å; L214-V260 HydrophobicContact CD1-CG1 3.96Å; L214-V260 HydrophobicContact CG-CG1 4.49Å; L214-V260 HydrophobicContact CG-CG2 4.28Å
215T95.1Very high92.8Very high46 Ų4658 Ų5828%0.28231%0.313SS..EExtended strand (participates in β ladder)trans-134.1154.3177.859.60000111.9T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 4.05Å; T215-C258 CarbonylContact O-C 3.52Å; T215-C258 WeakPolarHBondContact O-CA 3.05Å; T215-H259 PolarHBondContact N-O 3.03Å; T215-H259 PolarHBondContact O-N 2.82Å
216W95.5Very high91.6Very high2 Ų260.7 Ų60.71%0.00833%0.328CS..EExtended strand (participates in β ladder)trans-104.5139.9170.3-82.2106.3000110.5M188 L200 C202 Q223 T227 V244 V246 T257 C258M188-W216 HydrophobicContact CE-CH2 3.37Å; M188-W216 HydrophobicContact CE-CZ2 4.22Å; M188-W216 HydrophobicContact CE-CZ3 4.14Å; L200-W216 HydrophobicContact CB-CH2 3.61Å; L200-W216 HydrophobicContact CB-CZ2 3.77Å; L200-W216 HydrophobicContact CD1-CH2 3.97Å; L200-W216 HydrophobicContact CD1-CZ3 4.36Å; L200-W216 HydrophobicContact CG-CH2 4.46Å; C202-W216 HydrophobicContact CB-CZ2 3.93Å; W216-Q223 HydrophobicContact CB-CB 4.12Å; W216-Q223 PolarHBondContact O-N 3.45Å; W216-T227 HydrophobicContact CB-CG2 3.89Å; W216-T227 HydrophobicContact CG-CG2 4.04Å; W216-V244 PolarHBondContact NE1-O 3.22Å; W216-V244 VanDerWaalsContact NE1-O 3.16Å; W216-V246 HydrophobicContact CD2-CB 4.22Å; W216-V246 HydrophobicContact CD2-CG1 3.53Å; W216-V246 VanDerWaalsContact CE2-CG1 3.47Å; W216-V246 HydrophobicContact CE3-CG1 3.95Å; W216-V246 HydrophobicContact CG-CB 4.03Å; W216-V246 HydrophobicContact CG-CG1 3.86Å; W216-V246 HydrophobicContact CH2-CG1 4.12Å; W216-V246 HydrophobicContact CZ2-CG1 3.8Å; W216-V246 HydrophobicContact CZ3-CG1 4.24Å; W216-T257 WeakPolarHBondContact CA-O 3.4Å; W216-T257 VanDerWaalsContact CE3-O 3.27Å; W216-C258 HydrophobicContact CD2-CB 4.3Å; W216-C258 HydrophobicContact CE3-CB 4.16Å; W216-C258 HydrophobicContact CH2-CB 4.21Å; W216-C258 HydrophobicContact CZ2-CB 4.28Å; W216-C258 HydrophobicContact CZ3-CB 4.11Å
217Q95.3Very high90.8Very high42 Ų4260.4 Ų60.420%0.19632%0.324CS..EExtended strand (participates in β ladder)trans-123.4146.3168.5-68.8-173-9.300110.1E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.55Å; Q217-E221 VanDerWaalsContact CA-O 3.26Å; Q217-E221 WeakPolarHBondContact CA-O 3.47Å; Q217-D222 VanDerWaalsContact CG-OD1 3.24Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.36Å; Q217-D222 PolarHBondContact NE2-OD1 3.26Å; Q217-Y256 CarbonylContact O-C 3.52Å; Q217-Y256 VanDerWaalsContact O-CA 3.28Å; Q217-Y256 WeakPolarHBondContact O-CA 3.49Å; Q217-T257 PolarHBondContact N-O 2.82Å; Q217-T257 PolarHBondContact O-N 2.92Å; Q217-H259 PolarHBondContact OE1-CE1 2.98Å; Q217-H259 PolarHBondContact OE1-NE2 3.05Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.11Å
218R94.9Very high90.3Very high82 Ų8265.9 Ų65.931%0.30935%0.35SS..EExtended strand (participates in β ladder)trans-117.4117.2168.2-178-17967.2-164.5-4.4108.2G220 E221 Q223 R255 Y256R218-G220 PolarHBondContact O-N 3.07Å; R218-E221 PolarHBondContact N-O 3.17Å; R218-E221 PolarHBondContact O-N 3.15Å; R218-Q223 HydrophobicContact CB-CG 4.02Å; R218-R255 WeakPolarHBondContact CA-O 3.29Å; R218-R255 HydrophobicContact CG-CB 4.32Å; R218-Y256 HydrophobicContact CB-CD1 4.16Å; R218-Y256 HydrophobicContact CB-CE1 4.01Å; R218-Y256 WeakPolarHBondContact CD-OH 3.38Å; R218-Y256 HydrophobicContact CG-CD2 4.46Å; R218-Y256 HydrophobicContact CG-CE1 4.24Å; R218-Y256 HydrophobicContact CG-CE2 4.13Å
219D93.1Very high89.8Confident99 Ų9970.4 Ų70.453%0.52937%0.374SS..THydrogen-bonded Turntrans50.129.9-175.3-53.1-48.1000114.2R255D219-R255 PolarHBondContact N-O 3.33Å; D219-R255 WeakPolarHBondContact OD1-CB 3.49Å; D219-R255 IonicContact OD1-NE 3.47Å; D219-R255 PolarHBondContact OD1-NE 2.81Å; D219-R255 IonicContact OD2-CZ 3.09Å; D219-R255 IonicContact OD2-NE 2.79Å; D219-R255 PolarHBondContact OD2-NE 3.42Å; D219-R255 IonicContact OD2-NH2 2.62Å; D219-R255 PolarHBondContact OD2-NH2 2.86Å
220G89.8Confident89.5Confident50 Ų5070.9 Ų70.952%0.51538%0.376SS..THydrogen-bonded Turntrans92.5-2.7-178.100000115.6R218R218-G220 PolarHBondContact O-N 3.07Å
221E92Very high89.3Confident133 Ų13378.2 Ų78.262%0.62141%0.408SS*.EExtended strand (participates in β ladder)trans-97.8127.7176-64.4-175.3167.600111.8Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.55Å; Q217-E221 VanDerWaalsContact CA-O 3.26Å; Q217-E221 WeakPolarHBondContact CA-O 3.47Å; R218-E221 PolarHBondContact N-O 3.17Å; R218-E221 PolarHBondContact O-N 3.15Å; E221-Q223 PolarHBondContact O-NE2 2.88Å; E221-Q223 VanDerWaalsContact O-NE2 3.1Å
222D91.3Very high89.3Confident99 Ų9973.5 Ų73.553%0.52939%0.389SS..EExtended strand (participates in β ladder)trans-60.8135-179.2-70.3-26.3000112.5Q217 T224Q217-D222 VanDerWaalsContact CG-OD1 3.24Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.36Å; Q217-D222 PolarHBondContact NE2-OD1 3.26Å; D222-T224 HydrophobicContact CB-CG2 4.5Å
223Q86.7Confident89.3Confident18 Ų1877.3 Ų77.38%0.08440%0.403CS..  trans-108.180.7178-57.9-58.7-63.500109.8W216 R218 E221 T227 Y256W216-Q223 HydrophobicContact CB-CB 4.12Å; W216-Q223 PolarHBondContact O-N 3.45Å; R218-Q223 HydrophobicContact CB-CG 4.02Å; E221-Q223 PolarHBondContact O-NE2 2.88Å; E221-Q223 VanDerWaalsContact O-NE2 3.1Å; Q223-T227 HydrophobicContact CB-CG2 4.4Å; Q223-T227 WeakPolarHBondContact O-CG2 3.43Å; Q223-T227 PolarHBondContact O-OG1 2.82Å; Q223-T227 VanDerWaalsContact O-OG1 3.05Å; Q223-Y256 HydrophobicContact CG-CE1 4.44Å
224T75.8Confident89.3Confident111 Ų11179.1 Ų79.168%0.68142%0.415SS*.  trans-90.6-25.2-17649.30000114.4D222 T227D222-T224 HydrophobicContact CB-CG2 4.5Å; T224-T227 PolarHBondContact O-OG1 3.35Å
225Q71.1Confident89.3Confident182 Ų18280.9 Ų80.985%0.8543%0.431SS*.SBendtrans-90.8-30-177.7-68.6-174.94.300113.4T227Q225-T227 VanDerWaalsContact C-N 3.31Å; Q225-T227 PolarHBondContact O-N 3.47Å
226D72.5Confident89.2Confident106 Ų10682.4 Ų82.457%0.56746%0.456SS*.SBendtrans-95.618-175.3-60.3-37.2000112.8
227T80.8Confident89Confident35 Ų3587.3 Ų87.322%0.21548%0.482CS..EExtended strand (participates in β ladder)trans-111.4129.6-176.446.30000113.4W216 Q223 T224 Q225 L229 V244 A245 V246W216-T227 HydrophobicContact CB-CG2 3.89Å; W216-T227 HydrophobicContact CG-CG2 4.04Å; Q223-T227 HydrophobicContact CB-CG2 4.4Å; Q223-T227 WeakPolarHBondContact O-CG2 3.43Å; Q223-T227 PolarHBondContact O-OG1 2.82Å; Q223-T227 VanDerWaalsContact O-OG1 3.05Å; T224-T227 PolarHBondContact O-OG1 3.35Å; Q225-T227 VanDerWaalsContact C-N 3.31Å; Q225-T227 PolarHBondContact O-N 3.47Å; T227-L229 PolarHBondContact O-N 2.93Å; T227-V244 HydrophobicContact CG2-CG2 4.13Å; T227-A245 CarbonylContact C-O 3.45Å; T227-A245 WeakPolarHBondContact CA-O 3.43Å; T227-V246 HydrophobicContact CG2-CB 4.09Å; T227-V246 HydrophobicContact CG2-CG2 4.31Å
228E87.1Confident88.8Confident116 Ų11687.2 Ų87.254%0.54249%0.493SS..EExtended strand (participates in β ladder)trans-86.1105.8166.3-171.5-174-174.800108W243 V244 A245E228-W243 HydrophobicContact CB-CZ3 4.15Å; E228-W243 VanDerWaalsContact CD-CH2 3.41Å; E228-W243 HydrophobicContact CG-CH2 3.84Å; E228-W243 HydrophobicContact CG-CZ3 3.88Å; E228-W243 WeakPolarHBondContact O-CZ3 3.4Å; E228-V244 CarbonylContact O-C 3.47Å; E228-V244 WeakPolarHBondContact O-CA 3.27Å; E228-A245 HydrophobicContact CB-CB 4.32Å; E228-A245 PolarHBondContact N-O 3.27Å; E228-A245 PolarHBondContact O-N 2.9Å
229L85.4Confident88.9Confident98 Ų9883.9 Ų83.951%0.51348%0.482SS..EExtended strand (participates in β ladder)trans-106.4125.3178.8-176.468.9000109.8T227 V244T227-L229 PolarHBondContact O-N 2.93Å; L229-V244 HydrophobicContact CB-CG2 4.39Å; L229-V244 HydrophobicContact CD1-CB 3.81Å; L229-V244 HydrophobicContact CD1-CG2 3.87Å
230V90.8Very high89.1Confident31 Ų3180.3 Ų80.319%0.18846%0.461CS..PPolyproline II helixtrans-91.6147.4168.3-65.20000111.6K242 W243V230-K242 WeakPolarHBondContact O-CE 3.44Å; V230-K242 WeakPolarHBondContact O-CG 3.36Å; V230-K242 PolarHBondContact O-NZ 3.47Å; V230-W243 HydrophobicContact CB-CZ2 4.38Å; V230-W243 HydrophobicContact CG1-CD2 4.06Å; V230-W243 HydrophobicContact CG1-CE3 4.43Å; V230-W243 HydrophobicContact CG1-CH2 3.67Å; V230-W243 HydrophobicContact CG1-CZ2 3.19Å; V230-W243 HydrophobicContact CG1-CZ3 4.25Å; V230-W243 HydrophobicContact CG2-CB 4.49Å; V230-W243 VanDerWaalsContact CG2-CD1 3.48Å; V230-W243 HydrophobicContact CG2-CD2 3.7Å; V230-W243 HydrophobicContact CG2-CE3 4.45Å; V230-W243 HydrophobicContact CG2-CG 3.67Å; V230-W243 HydrophobicContact CG2-CZ2 4.34Å; V230-W243 WeakPolarHBondContact CG2-O 3.34Å; V230-W243 PolarHBondContact N-O 2.92Å
231E92.8Very high89.5Confident170 Ų17080.1 Ų80.179%0.79445%0.447SS*.PPolyproline II helixtrans-57.9150.8167-67.5-174.3167.900110.8R233E231-R233 PolarHBondContact O-N 3.04Å
232T96.4Very high89.8Confident44 Ų4474.8 Ų74.827%0.2742%0.422SS..PPolyproline II helixtrans-65.8130.6174.7-56.30000108.7F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.11Å; F207-T232 HydrophobicContact CZ-CG2 3.85Å; A210-T232 HydrophobicContact CB-CG2 4.27Å; A210-T232 WeakPolarHBondContact O-CG2 3.39Å; T232-F240 HydrophobicContact CG2-CB 3.77Å; T232-F240 HydrophobicContact CG2-CD1 3.93Å; T232-F240 HydrophobicContact CG2-CG 4.11Å; T232-K242 WeakPolarHBondContact OG1-CD 3.36Å; T232-K242 PolarHBondContact OG1-NZ 3.48Å
233R96.1Very high90Very high91 Ų9171.1 Ų71.134%0.34340%0.401SS..EExtended strand (participates in β ladder)trans-126.4145.7-175.768.2-168.8-178.1-162.61.6111.5E231 F240 Q241E231-R233 PolarHBondContact O-N 3.04Å; R233-F240 WeakPolarHBondContact O-CA 3.48Å; R233-Q241 HydrophobicContact CG-CG 3.56Å; R233-Q241 PolarHBondContact N-O 3.39Å; R233-Q241 WeakPolarHBondContact O-CG 3.44Å; R233-Q241 PolarHBondContact O-N 2.75Å
234P96.5Very high90.5Very high96 Ų9670.4 Ų70.462%0.62340%0.397SS*.EExtended strand (participates in β ladder)trans-68.4145.9177.928.4-34.5000111.3F240P234-F240 HydrophobicContact CB-CE1 4.31Å
235A95.8Very high91.4Very high48 Ų4865.2 Ų65.240%0.39737%0.366SS..  trans-89.8-16.2173.400000113.1T239A235-T239 WeakPolarHBondContact CB-O 3.22Å; A235-T239 PolarHBondContact N-O 3.29Å
236G92.8Very high92.6Very high78 Ų7856.7 Ų56.780%0.80433%0.326SS*.SBendtrans96.5-8.917900000115
237D92.2Very high93.6Very high104 Ų10455 Ų5556%0.55632%0.32SS*.SBendtrans-10513.7177.162.8-2.7000113T239D237-T239 WeakPolarHBondContact OD1-CB 3.46Å; D237-T239 PolarHBondContact OD1-N 3.49Å; D237-T239 PolarHBondContact OD1-OG1 3.48Å; D237-T239 PolarHBondContact OD2-OG1 2.89Å
238G91.7Very high94.2Very high40 Ų4053.4 Ų53.441%0.41231%0.31SS..SBendtrans83.28.7-173.700000114.5R180 Y208R180-G238 PolarHBondContact NH2-O 3.03Å; Y208-G238 WeakPolarHBondContact CD2-O 3.35Å
239T96.6Very high94.5Very high13 Ų1350.1 Ų50.18%0.0830%0.298CS..  trans-111.1172.8170.573.10000112.1S206 F207 A235 D237S206-T239 WeakPolarHBondContact CA-OG1 3.41Å; F207-T239 CarbonylContact O-C 3.55Å; F207-T239 WeakPolarHBondContact O-CA 3.27Å; A235-T239 WeakPolarHBondContact CB-O 3.22Å; A235-T239 PolarHBondContact N-O 3.29Å; D237-T239 WeakPolarHBondContact OD1-CB 3.46Å; D237-T239 PolarHBondContact OD1-N 3.49Å; D237-T239 PolarHBondContact OD1-OG1 3.48Å; D237-T239 PolarHBondContact OD2-OG1 2.89Å
240F97.8Very high94.7Very high23 Ų2348 Ų4810%0.10129%0.292CS..EExtended strand (participates in β ladder)trans-120.5162.3-177.2-63.2-84.8000112.3D29 S206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.78Å; D29-F240 HydrophobicContact CB-CZ 3.53Å; S206-F240 PolarHBondContact N-O 3.26Å; F207-F240 VanDerWaalsContact CD1-O 3.27Å; F207-F240 WeakPolarHBondContact CD1-O 3.04Å; F207-F240 HydrophobicContact CD2-CB 3.95Å; F207-F240 HydrophobicContact CE1-CB 4.2Å; F207-F240 WeakPolarHBondContact CE1-O 3.31Å; F207-F240 HydrophobicContact CE2-CB 3.49Å; F207-F240 VanDerWaalsContact CE2-CB 3.49Å; F207-F240 HydrophobicContact CE2-CG 4.47Å; F207-F240 HydrophobicContact CG-CB 4.45Å; F207-F240 HydrophobicContact CZ-CB 3.62Å; F207-F240 PolarHBondContact N-O 3.13Å; F207-F240 PolarHBondContact O-N 3.41Å; Y208-F240 HydrophobicContact CD2-CD2 4.36Å; Y208-F240 AromaticContact CD2-CE2 3.89Å; Y208-F240 HydrophobicContact CD2-CE2 3.89Å; Y208-F240 HydrophobicContact CE2-CE2 4.29Å; A210-F240 HydrophobicContact CB-CD1 3.72Å; A210-F240 HydrophobicContact CB-CD2 3.77Å; A210-F240 HydrophobicContact CB-CE1 3.69Å; A210-F240 HydrophobicContact CB-CE2 3.75Å; A210-F240 HydrophobicContact CB-CG 3.78Å; A210-F240 HydrophobicContact CB-CZ 3.74Å; T232-F240 HydrophobicContact CG2-CB 3.77Å; T232-F240 HydrophobicContact CG2-CD1 3.93Å; T232-F240 HydrophobicContact CG2-CG 4.11Å; R233-F240 WeakPolarHBondContact O-CA 3.48Å; P234-F240 HydrophobicContact CB-CE1 4.31Å
241Q97.7Very high94.6Very high46 Ų4649.8 Ų49.822%0.21532%0.316CS..EExtended strand (participates in β ladder)trans-140.5146.6173.246.3168.2-27.800110A204 L205 R233A204-Q241 CarbonylContact O-C 3.54Å; A204-Q241 VanDerWaalsContact O-CA 3.28Å; A204-Q241 WeakPolarHBondContact O-CA 3.39Å; L205-Q241 HydrophobicContact CD2-CB 3.58Å; R233-Q241 HydrophobicContact CG-CG 3.56Å; R233-Q241 PolarHBondContact N-O 3.39Å; R233-Q241 WeakPolarHBondContact O-CG 3.44Å; R233-Q241 PolarHBondContact O-N 2.75Å
242K97.9Very high94.6Very high22 Ų2244.7 Ų44.710%0.09629%0.292CS..EExtended strand (participates in β ladder)trans-151153.2176.8-164.8-177-174.872.20108.7A204 F207 I212 L214 V230 T232A204-K242 PolarHBondContact N-O 3.5Å; A204-K242 PolarHBondContact O-N 2.89Å; A204-K242 VanDerWaalsContact O-O 3.08Å; F207-K242 HydrophobicContact CE1-CB 4.32Å; F207-K242 HydrophobicContact CZ-CB 4.12Å; I212-K242 HydrophobicContact CG2-CB 4.21Å; I212-K242 HydrophobicContact CG2-CD 3.55Å; L214-K242 HydrophobicContact CD1-CD 4.27Å; V230-K242 WeakPolarHBondContact O-CE 3.44Å; V230-K242 WeakPolarHBondContact O-CG 3.36Å; V230-K242 PolarHBondContact O-NZ 3.47Å; T232-K242 WeakPolarHBondContact OG1-CD 3.36Å; T232-K242 PolarHBondContact OG1-NZ 3.48Å
243W96.8Very high94.4Very high22 Ų2243.4 Ų43.48%0.08328%0.284CS..EExtended strand (participates in β ladder)trans-143.1158.7168.458.7-96.4000111R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 4Å; R201-W243 HydrophobicContact CG-CD2 4.04Å; R201-W243 HydrophobicContact CG-CE3 3.76Å; R201-W243 HydrophobicContact CG-CG 4.19Å; C202-W243 CarbonylContact O-C 3.52Å; C202-W243 WeakPolarHBondContact O-CA 3.34Å; C202-W243 WeakPolarHBondContact O-CB 3.4Å; W203-W243 HydrophobicContact CD2-CB 3.89Å; W203-W243 HydrophobicContact CD2-CG 4.34Å; W203-W243 HydrophobicContact CE3-CB 3.83Å; W203-W243 AromaticContact CE3-CD1 3.74Å; W203-W243 HydrophobicContact CE3-CG 4.06Å; W203-W243 HydrophobicContact CG-CB 4.29Å; W203-W243 AromaticContact CH2-CD1 3.59Å; W203-W243 HydrophobicContact CH2-CG 4.21Å; W203-W243 AromaticContact CH2-NE1 3.94Å; W203-W243 HydrophobicContact CZ2-CG 4.47Å; W203-W243 HydrophobicContact CZ3-CB 4.29Å; W203-W243 AromaticContact CZ3-CD1 3.3Å; W203-W243 HydrophobicContact CZ3-CG 4.01Å; E228-W243 HydrophobicContact CB-CZ3 4.15Å; E228-W243 VanDerWaalsContact CD-CH2 3.41Å; E228-W243 HydrophobicContact CG-CH2 3.84Å; E228-W243 HydrophobicContact CG-CZ3 3.88Å; E228-W243 WeakPolarHBondContact O-CZ3 3.4Å; V230-W243 HydrophobicContact CB-CZ2 4.38Å; V230-W243 HydrophobicContact CG1-CD2 4.06Å; V230-W243 HydrophobicContact CG1-CE3 4.43Å; V230-W243 HydrophobicContact CG1-CH2 3.67Å; V230-W243 HydrophobicContact CG1-CZ2 3.19Å; V230-W243 HydrophobicContact CG1-CZ3 4.25Å; V230-W243 HydrophobicContact CG2-CB 4.49Å; V230-W243 VanDerWaalsContact CG2-CD1 3.48Å; V230-W243 HydrophobicContact CG2-CD2 3.7Å; V230-W243 HydrophobicContact CG2-CE3 4.45Å; V230-W243 HydrophobicContact CG2-CG 3.67Å; V230-W243 HydrophobicContact CG2-CZ2 4.34Å; V230-W243 WeakPolarHBondContact CG2-O 3.34Å; V230-W243 PolarHBondContact N-O 2.92Å; W243-A245 HydrophobicContact CE3-CB 4.01Å; W243-A245 HydrophobicContact CZ3-CB 3.7Å
244V96.1Very high94.2Very high2 Ų243.7 Ų43.71%0.01229%0.289CS..EExtended strand (participates in β ladder)trans-133.3134.2170.764.30000108.8C202 L214 W216 T227 E228 L229C202-V244 HydrophobicContact CB-CG1 4.07Å; C202-V244 PolarHBondContact N-O 2.78Å; C202-V244 PolarHBondContact O-N 2.79Å; L214-V244 HydrophobicContact CB-CB 4.31Å; L214-V244 HydrophobicContact CB-CG1 3.79Å; L214-V244 HydrophobicContact CD2-CG1 4.18Å; L214-V244 HydrophobicContact CG-CG1 4.47Å; W216-V244 PolarHBondContact NE1-O 3.22Å; W216-V244 VanDerWaalsContact NE1-O 3.16Å; T227-V244 HydrophobicContact CG2-CG2 4.13Å; E228-V244 CarbonylContact O-C 3.47Å; E228-V244 WeakPolarHBondContact O-CA 3.27Å; L229-V244 HydrophobicContact CB-CG2 4.39Å; L229-V244 HydrophobicContact CD1-CB 3.81Å; L229-V244 HydrophobicContact CD1-CG2 3.87Å
245A95.3Very high94.1Very high2 Ų244.2 Ų44.22%0.01728%0.278CS..EExtended strand (participates in β ladder)trans-118.8152179.100000111.6T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.88Å; L200-A245 CarbonylContact O-C 3.55Å; L200-A245 WeakPolarHBondContact O-CA 3.43Å; R201-A245 HydrophobicContact CB-CB 3.94Å; R201-A245 HydrophobicContact CG-CB 4.12Å; T227-A245 CarbonylContact C-O 3.45Å; T227-A245 WeakPolarHBondContact CA-O 3.43Å; E228-A245 HydrophobicContact CB-CB 4.32Å; E228-A245 PolarHBondContact N-O 3.27Å; E228-A245 PolarHBondContact O-N 2.9Å; W243-A245 HydrophobicContact CE3-CB 4.01Å; W243-A245 HydrophobicContact CZ3-CB 3.7Å
246V95.1Very high94.1Very high3 Ų342.3 Ų42.32%0.01826%0.261CS..EExtended strand (participates in β ladder)trans-138.4141.6175.764.20000108.8T199 L200 W216 T227 V248 Y256T199-V246 WeakPolarHBondContact CA-O 2.86Å; L200-V246 HydrophobicContact CB-CG1 4.18Å; L200-V246 PolarHBondContact N-O 3.24Å; L200-V246 PolarHBondContact O-N 3.37Å; W216-V246 HydrophobicContact CD2-CB 4.22Å; W216-V246 HydrophobicContact CD2-CG1 3.53Å; W216-V246 VanDerWaalsContact CE2-CG1 3.47Å; W216-V246 HydrophobicContact CE3-CG1 3.95Å; W216-V246 HydrophobicContact CG-CB 4.03Å; W216-V246 HydrophobicContact CG-CG1 3.86Å; W216-V246 HydrophobicContact CH2-CG1 4.12Å; W216-V246 HydrophobicContact CZ2-CG1 3.8Å; W216-V246 HydrophobicContact CZ3-CG1 4.24Å; T227-V246 HydrophobicContact CG2-CB 4.09Å; T227-V246 HydrophobicContact CG2-CG2 4.31Å; V246-V248 HydrophobicContact CG1-CG1 3.74Å; V246-V248 HydrophobicContact CG2-CG1 4.43Å; V246-Y256 HydrophobicContact CG1-CD1 4.03Å; V246-Y256 HydrophobicContact CG1-CE1 4.48Å; V246-Y256 HydrophobicContact CG2-CD1 4.19Å; V246-Y256 HydrophobicContact CG2-CE1 3.9Å
247V93.9Very high94.2Very high71 Ų7139.1 Ų39.143%0.4323%0.226SC..EExtended strand (participates in β ladder)trans-85.1128.5170.5-178.40000108.2E197E197-V247 HydrophobicContact CB-CG1 4.16Å; E197-V247 HydrophobicContact CG-CG1 4.34Å
248V93.6Very high94.4Very high1 Ų134.1 Ų34.11%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-126.3143.3-177-52.50000110.3E197 A198 L200 V246 E253 Y256E197-V248 WeakPolarHBondContact CA-O 3.47Å; A198-V248 HydrophobicContact CB-CG2 4.32Å; A198-V248 PolarHBondContact N-O 2.95Å; A198-V248 WeakPolarHBondContact O-CG2 3.41Å; A198-V248 PolarHBondContact O-N 3.05Å; L200-V248 HydrophobicContact CD1-CG1 3.99Å; L200-V248 HydrophobicContact CD1-CG2 4.04Å; L200-V248 HydrophobicContact CG-CG1 4.2Å; L200-V248 HydrophobicContact CG-CG2 3.87Å; V246-V248 HydrophobicContact CG1-CG1 3.74Å; V246-V248 HydrophobicContact CG2-CG1 4.43Å; V248-E253 HydrophobicContact CG2-CG 3.93Å; V248-Y256 HydrophobicContact CB-CD2 4.04Å; V248-Y256 HydrophobicContact CB-CE2 3.77Å; V248-Y256 HydrophobicContact CG1-CD1 3.71Å; V248-Y256 HydrophobicContact CG1-CD2 3.58Å; V248-Y256 HydrophobicContact CG1-CE1 3.69Å; V248-Y256 HydrophobicContact CG1-CE2 3.59Å; V248-Y256 HydrophobicContact CG1-CG 3.65Å
249P93.4Very high94.7Very high47 Ų4733.7 Ų33.731%0.30519%0.186SC..EExtended strand (participates in β ladder)trans-63.6140.2169.9-20.432.4000110.9H196 G251 Q252H196-P249 CarbonylContact O-C 3.58Å; H196-P249 WeakPolarHBondContact O-CA 3.34Å; P249-G251 PolarHBondContact O-N 3.17Å; P249-Q252 HydrophobicContact CB-CB 4.38Å; P249-Q252 HydrophobicContact CB-CG 4.12Å; P249-Q252 WeakPolarHBondContact O-CB 3.44Å; P249-Q252 PolarHBondContact O-N 3.27Å
250S89.3Confident94.7Very high54 Ų5433.1 Ų33.138%0.37818%0.183SC..THydrogen-bonded Turntrans-56.6131.8176.9-61.60000111.4H196 E197 Q252 E253H196-S250 PolarHBondContact O-N 3.01Å; H196-S250 PolarHBondContact O-OG 3Å; E197-S250 PolarHBondContact N-OG 3.31Å; S250-Q252 VanDerWaalsContact C-N 3.31Å; S250-E253 WeakPolarHBondContact CA-OE1 3.43Å
251G88.8Confident94.7Very high68 Ų6836.8 Ų36.870%0.70120%0.2SC*.THydrogen-bonded Turntrans84.9-3.2-17700000114.7P249 E253P249-G251 PolarHBondContact O-N 3.17Å; G251-E253 WeakPolarHBondContact CA-OE2 3.22Å; G251-E253 VanDerWaalsContact N-CD 3.33Å; G251-E253 PolarHBondContact N-OE1 2.91Å; G251-E253 PolarHBondContact N-OE2 3.25Å
252Q92.6Very high94.7Very high63 Ų6335.3 Ų35.329%0.29419%0.193SC..  trans-104.65.6175.7-59.6-167.737.600113.4P249 S250 Q254 R255 Y256P249-Q252 HydrophobicContact CB-CB 4.38Å; P249-Q252 HydrophobicContact CB-CG 4.12Å; P249-Q252 WeakPolarHBondContact O-CB 3.44Å; P249-Q252 PolarHBondContact O-N 3.27Å; S250-Q252 VanDerWaalsContact C-N 3.31Å; Q252-Q254 PolarHBondContact O-N 3.28Å; Q252-Q254 VanDerWaalsContact O-N 3.09Å; Q252-R255 WeakPolarHBondContact O-CB 3.43Å; Q252-R255 PolarHBondContact O-N 2.97Å; Q252-Y256 HydrophobicContact CB-CE2 4.45Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.44Å
253E92.5Very high94.6Very high18 Ų1841.6 Ų41.68%0.08422%0.223CC..G310 helixtrans-55-35.7-173.9-6078.8-174.800112.2L200 V248 S250 G251 R255 Y256 W273L200-E253 HydrophobicContact CD1-CB 4.06Å; L200-E253 HydrophobicContact CD1-CG 4.41Å; L200-E253 HydrophobicContact CD2-CG 4.3Å; V248-E253 HydrophobicContact CG2-CG 3.93Å; S250-E253 WeakPolarHBondContact CA-OE1 3.43Å; G251-E253 WeakPolarHBondContact CA-OE2 3.22Å; G251-E253 VanDerWaalsContact N-CD 3.33Å; G251-E253 PolarHBondContact N-OE1 2.91Å; G251-E253 PolarHBondContact N-OE2 3.25Å; E253-R255 VanDerWaalsContact C-N 3.26Å; E253-R255 PolarHBondContact O-N 3.42Å; E253-Y256 PolarHBondContact O-N 2.9Å; E253-W273 HydrophobicContact CB-CD2 4.25Å; E253-W273 HydrophobicContact CB-CE3 3.5Å; E253-W273 VanDerWaalsContact CB-CE3 3.5Å; E253-W273 HydrophobicContact CB-CZ3 3.99Å; E253-W273 HydrophobicContact CG-CE3 3.92Å; E253-W273 HydrophobicContact CG-CZ3 4.06Å
254Q92.1Very high94.5Very high97 Ų9741.5 Ų41.545%0.45323%0.229SC..G310 helixtrans-69-19-179-65.4-58-4200114.3Q252 W273Q252-Q254 PolarHBondContact O-N 3.28Å; Q252-Q254 VanDerWaalsContact O-N 3.09Å; Q254-W273 PolarHBondContact NE2-O 2.83Å
255R94.5Very high94.6Very high107 Ų10742.6 Ų42.640%0.40423%0.234SC..G310 helixtrans-76.5-16.7175.7-63.8175.366.6-175.47.4112.1R218 D219 Q252 E253R218-R255 WeakPolarHBondContact CA-O 3.29Å; R218-R255 HydrophobicContact CG-CB 4.32Å; D219-R255 PolarHBondContact N-O 3.33Å; D219-R255 WeakPolarHBondContact OD1-CB 3.49Å; D219-R255 IonicContact OD1-NE 3.47Å; D219-R255 PolarHBondContact OD1-NE 2.81Å; D219-R255 IonicContact OD2-CZ 3.09Å; D219-R255 IonicContact OD2-NE 2.79Å; D219-R255 PolarHBondContact OD2-NE 3.42Å; D219-R255 IonicContact OD2-NH2 2.62Å; D219-R255 PolarHBondContact OD2-NH2 2.86Å; Q252-R255 WeakPolarHBondContact O-CB 3.43Å; Q252-R255 PolarHBondContact O-N 2.97Å; E253-R255 VanDerWaalsContact C-N 3.26Å; E253-R255 PolarHBondContact O-N 3.42Å
256Y94.9Very high94.6Very high8 Ų848.9 Ų48.93%0.03128%0.275CS..EExtended strand (participates in β ladder)trans-97.6130.3-176.9-69-102.6000110.9Q217 R218 Q223 V246 V248 Q252 E253Q217-Y256 CarbonylContact O-C 3.52Å; Q217-Y256 VanDerWaalsContact O-CA 3.28Å; Q217-Y256 WeakPolarHBondContact O-CA 3.49Å; R218-Y256 HydrophobicContact CB-CD1 4.16Å; R218-Y256 HydrophobicContact CB-CE1 4.01Å; R218-Y256 WeakPolarHBondContact CD-OH 3.38Å; R218-Y256 HydrophobicContact CG-CD2 4.46Å; R218-Y256 HydrophobicContact CG-CE1 4.24Å; R218-Y256 HydrophobicContact CG-CE2 4.13Å; Q223-Y256 HydrophobicContact CG-CE1 4.44Å; V246-Y256 HydrophobicContact CG1-CD1 4.03Å; V246-Y256 HydrophobicContact CG1-CE1 4.48Å; V246-Y256 HydrophobicContact CG2-CD1 4.19Å; V246-Y256 HydrophobicContact CG2-CE1 3.9Å; V248-Y256 HydrophobicContact CB-CD2 4.04Å; V248-Y256 HydrophobicContact CB-CE2 3.77Å; V248-Y256 HydrophobicContact CG1-CD1 3.71Å; V248-Y256 HydrophobicContact CG1-CD2 3.58Å; V248-Y256 HydrophobicContact CG1-CE1 3.69Å; V248-Y256 HydrophobicContact CG1-CE2 3.59Å; V248-Y256 HydrophobicContact CG1-CG 3.65Å; Q252-Y256 HydrophobicContact CB-CE2 4.45Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.44Å; E253-Y256 PolarHBondContact O-N 2.9Å
257T96.4Very high94.7Very high10 Ų1056.7 Ų56.76%0.06131%0.309CS..EExtended strand (participates in β ladder)trans-123.4133.6176.146.40000110.8W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 3.4Å; W216-T257 VanDerWaalsContact CE3-O 3.27Å; Q217-T257 PolarHBondContact N-O 2.82Å; Q217-T257 PolarHBondContact O-N 2.92Å; T257-H259 PolarHBondContact OG1-NE2 2.93Å; T257-T270 HydrophobicContact CG2-CG2 3.85Å; T257-L271 CarbonylContact C-O 3.55Å; T257-L271 WeakPolarHBondContact CA-O 3.13Å; T257-R272 HydrophobicContact CG2-CG 3.51Å; T257-R272 VanDerWaalsContact CG2-NE 3.31Å
258C96.4Very high94.8Very high0 Ų057.2 Ų57.20%031%0.314CS..EExtended strand (participates in β ladder)trans-93.6128.2170.4174.40000109.8C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.5Å; C202-C258 WeakPolarHBondContact CB-SG 3.49Å; C202-C258 WeakPolarHBondContact SG-CB 3.5Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.11Å; T215-C258 CarbonylContact O-C 3.52Å; T215-C258 WeakPolarHBondContact O-CA 3.05Å; W216-C258 HydrophobicContact CD2-CB 4.3Å; W216-C258 HydrophobicContact CE3-CB 4.16Å; W216-C258 HydrophobicContact CH2-CB 4.21Å; W216-C258 HydrophobicContact CZ2-CB 4.28Å; W216-C258 HydrophobicContact CZ3-CB 4.11Å; C258-T270 CarbonylContact O-C 3.59Å; C258-T270 WeakPolarHBondContact O-CA 3.44Å; C258-L271 HydrophobicContact CB-CB 4.26Å; C258-L271 PolarHBondContact N-O 2.87Å; C258-L271 PolarHBondContact O-N 2.92Å
259H96.4Very high94.9Very high31 Ų3160 Ų6014%0.14433%0.328CS..EExtended strand (participates in β ladder)trans-106.8129.3177.8-65-105.5000109.7L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.21Å; T215-H259 PolarHBondContact N-O 3.03Å; T215-H259 PolarHBondContact O-N 2.82Å; Q217-H259 PolarHBondContact OE1-CE1 2.98Å; Q217-H259 PolarHBondContact OE1-NE2 3.05Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.11Å; T257-H259 PolarHBondContact OG1-NE2 2.93Å; H259-L269 CarbonylContact C-O 3.56Å; H259-L269 WeakPolarHBondContact CA-O 3.28Å; H259-T270 PolarHBondContact ND1-OG1 3.3Å
260V97.5Very high95.1Very high0 Ų061.6 Ų61.60%034%0.337CS..EExtended strand (participates in β ladder)trans-122.5119.8-178.3-171.80000109.2P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 4.04Å; T186-V260 HydrophobicContact CG2-CG1 4.34Å; T186-V260 HydrophobicContact CG2-CG2 4.15Å; I212-V260 HydrophobicContact CD1-CG1 3.98Å; I212-V260 HydrophobicContact CG1-CG1 4.34Å; T213-V260 WeakPolarHBondContact O-CA 3.29Å; L214-V260 HydrophobicContact CD1-CG1 3.96Å; L214-V260 HydrophobicContact CG-CG1 4.49Å; L214-V260 HydrophobicContact CG-CG2 4.28Å; V260-L265 HydrophobicContact CG1-CD1 4.22Å; V260-P268 WeakPolarHBondContact O-CA 3.03Å; V260-L269 HydrophobicContact CB-CB 4.32Å; V260-L269 PolarHBondContact N-O 3.4Å; V260-L269 PolarHBondContact O-N 3.49Å; V260-L271 HydrophobicContact CG2-CD1 3.99Å
261Q98Very high95.4Very high100 Ų10060.7 Ų60.747%0.46733%0.328SS..EExtended strand (participates in β ladder)trans-116.2128.3173.9-52.5-17823.800109.3I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.29Å; I212-Q261 WeakPolarHBondContact CG1-O 3.47Å; T213-Q261 PolarHBondContact N-O 3.26Å; T213-Q261 PolarHBondContact O-N 3.35Å; Q261-P268 HydrophobicContact CG-CB 4.07Å; Q261-P268 HydrophobicContact CG-CG 4.14Å
262H97.8Very high95.6Very high16 Ų1665 Ų657%0.07432%0.323CS..  trans-154.8145-178.9-174.8-102.9000108.7D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 2.87Å; P184-H262 HydrophobicContact CG-CB 4.18Å; F207-H262 AromaticContact CD2-CD2 3.84Å; F207-H262 AromaticContact CD2-NE2 3.61Å; Y208-H262 PolarHBondContact O-CE1 3.44Å; P209-H262 PolarHBondContact O-NE2 3.22Å; E211-H262 PolarHBondContact O-CD2 3.05Å; E211-H262 VanDerWaalsContact O-CD2 3.3Å; I212-H262 HydrophobicContact CD1-CB 4.24Å; I212-H262 HydrophobicContact CG1-CB 4Å; H262-G264 WeakPolarHBondContact ND1-CA 3.3Å; H262-G264 PolarHBondContact ND1-N 2.71Å; H262-G264 PolarHBondContact O-N 2.87Å; H262-L265 HydrophobicContact CB-CD1 3.96Å; H262-L265 HydrophobicContact CB-CG 4.15Å; H262-L265 WeakPolarHBondContact O-CB 3.45Å; H262-L265 PolarHBondContact O-N 2.68Å
263E95.3Very high95.6Very high153 Ų15364.2 Ų64.272%0.71532%0.317SS*.THydrogen-bonded Turntrans-59.9-32.7-179.4-173178.5165.300112.6T181 L265T181-E263 HydrophobicContact CG2-CB 3.93Å; T181-E263 HydrophobicContact CG2-CG 3.99Å; E263-L265 PolarHBondContact O-N 2.94Å
264G95.1Very high95.2Very high20 Ų2071 Ų7121%0.20635%0.349CS..THydrogen-bonded Turntrans-70.9-4.917600000114.6T181 A183 H262T181-G264 VanDerWaalsContact CG2-CA 3.45Å; T181-G264 VanDerWaalsContact CG2-N 3.28Å; A183-G264 WeakPolarHBondContact CB-O 3.17Å; H262-G264 WeakPolarHBondContact ND1-CA 3.3Å; H262-G264 PolarHBondContact ND1-N 2.71Å; H262-G264 PolarHBondContact O-N 2.87Å
265L97.3Very high94.5Very high25 Ų2570.2 Ų70.213%0.13135%0.352CS..SBendtrans-101.2128.1175.9-65.9169.9000110.1A183 P184 V260 H262 E263 K267 L269A183-L265 HydrophobicContact CB-CD2 4.02Å; P184-L265 HydrophobicContact CG-CD1 3.87Å; P184-L265 HydrophobicContact CG-CD2 4.4Å; P184-L265 HydrophobicContact CG-CG 4.19Å; V260-L265 HydrophobicContact CG1-CD1 4.22Å; H262-L265 HydrophobicContact CB-CD1 3.96Å; H262-L265 HydrophobicContact CB-CG 4.15Å; H262-L265 WeakPolarHBondContact O-CB 3.45Å; H262-L265 PolarHBondContact O-N 2.68Å; E263-L265 PolarHBondContact O-N 2.94Å; L265-K267 WeakPolarHBondContact CB-O 3.4Å; L265-K267 PolarHBondContact O-N 3.04Å; L265-L269 HydrophobicContact CD1-CB 4.47Å; L265-L269 HydrophobicContact CD1-CD1 3.87Å; L265-L269 HydrophobicContact CD1-CG 3.84Å; L265-L269 HydrophobicContact CD2-CD1 3.59Å; L265-L269 HydrophobicContact CD2-CG 3.91Å; L265-L269 HydrophobicContact CG-CD1 4.39Å; L265-L269 HydrophobicContact CG-CG 4.47Å
266P95.7Very high93Very high134 Ų13470 Ų7087%0.8737%0.368SS*.SBendtrans-66.2-24.9178.127.3-34.8000112.6
267K96.4Very high90.8Very high167 Ų16775.1 Ų75.173%0.72640%0.404SS*.SBendtrans-145.9151.4173.8-64.5-176-177.9178.30109.1L265 L269L265-K267 WeakPolarHBondContact CB-O 3.4Å; L265-K267 PolarHBondContact O-N 3.04Å; K267-L269 PolarHBondContact O-N 2.04Å
268P96.8Very high88.5Confident82 Ų8282.3 Ų82.353%0.53244%0.437SS..  trans-51.1138.7171.3-2836.4000111.9V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.03Å; Q261-P268 HydrophobicContact CG-CB 4.07Å; Q261-P268 HydrophobicContact CG-CG 4.14Å
269L96.9Very high86Confident61 Ų6187.4 Ų87.432%0.31947%0.47SS..EExtended strand (participates in β ladder)trans-91.8141.1173.5-67176.3000110T186 H259 V260 L265 K267T186-L269 HydrophobicContact CG2-CD1 4.44Å; H259-L269 CarbonylContact C-O 3.56Å; H259-L269 WeakPolarHBondContact CA-O 3.28Å; V260-L269 HydrophobicContact CB-CB 4.32Å; V260-L269 PolarHBondContact N-O 3.4Å; V260-L269 PolarHBondContact O-N 3.49Å; L265-L269 HydrophobicContact CD1-CB 4.47Å; L265-L269 HydrophobicContact CD1-CD1 3.87Å; L265-L269 HydrophobicContact CD1-CG 3.84Å; L265-L269 HydrophobicContact CD2-CD1 3.59Å; L265-L269 HydrophobicContact CD2-CG 3.91Å; L265-L269 HydrophobicContact CG-CD1 4.39Å; L265-L269 HydrophobicContact CG-CG 4.47Å; K267-L269 PolarHBondContact O-N 2.04Å
270T96.6Very high83.8Confident80 Ų8092.2 Ų92.249%0.49150%0.502SS..EExtended strand (participates in β ladder)trans-119.4117.9171.2-55.60000108.3T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.85Å; C258-T270 CarbonylContact O-C 3.59Å; C258-T270 WeakPolarHBondContact O-CA 3.44Å; H259-T270 PolarHBondContact ND1-OG1 3.3Å
271L95.2Very high81.7Confident35 Ų3597.3 Ų97.318%0.18353%0.528CS..EExtended strand (participates in β ladder)trans-107.5139.1-178.2-60.9158.5000109.4T186 M188 T257 C258 V260T186-L271 HydrophobicContact CG2-CD1 4.07Å; M188-L271 HydrophobicContact CG-CB 4.37Å; M188-L271 HydrophobicContact SD-CB 3.78Å; T257-L271 CarbonylContact C-O 3.55Å; T257-L271 WeakPolarHBondContact CA-O 3.13Å; C258-L271 HydrophobicContact CB-CB 4.26Å; C258-L271 PolarHBondContact N-O 2.87Å; C258-L271 PolarHBondContact O-N 2.92Å; V260-L271 HydrophobicContact CG2-CD1 3.99Å
272R93.5Very high79.5Confident158 Ų15896.8 Ų96.860%0.59653%0.534SS*.EExtended strand (participates in β ladder)trans-119149.8168.3-74.1-175.8178.7153.70.1108.7M188 T257 E274M188-R272 VanDerWaalsContact SD-O 3.39Å; T257-R272 HydrophobicContact CG2-CG 3.51Å; T257-R272 VanDerWaalsContact CG2-NE 3.31Å; R272-E274 PolarHBondContact O-N 3.34Å
273W91.6Very high77.6Confident46 Ų46101.6 Ų101.617%0.17456%0.558CS.*  trans-67.8128173.5178.466.6000109.2M188 H190 L200 E253 Q254 P275M188-W273 HydrophobicContact CE-CB 3.62Å; M188-W273 HydrophobicContact SD-CB 4.44Å; M188-W273 PolarHBondContact SD-N 3.19Å; M188-W273 VanDerWaalsContact SD-N 3.39Å; H190-W273 HydrophobicContact CB-CZ2 4.16Å; H190-W273 VanDerWaalsContact CB-NE1 3.26Å; H190-W273 AromaticContact CG-CE2 3.99Å; H190-W273 AromaticContact CG-CZ2 3.97Å; H190-W273 AromaticContact CG-NE1 4Å; L200-W273 HydrophobicContact CD1-CB 4.29Å; L200-W273 HydrophobicContact CD2-CB 4.01Å; L200-W273 HydrophobicContact CD2-CD2 4.36Å; L200-W273 HydrophobicContact CD2-CG 3.83Å; E253-W273 HydrophobicContact CB-CD2 4.25Å; E253-W273 HydrophobicContact CB-CE3 3.5Å; E253-W273 VanDerWaalsContact CB-CE3 3.5Å; E253-W273 HydrophobicContact CB-CZ3 3.99Å; E253-W273 HydrophobicContact CG-CE3 3.92Å; E253-W273 HydrophobicContact CG-CZ3 4.06Å; Q254-W273 PolarHBondContact NE2-O 2.83Å; W273-P275 HydrophobicContact CE3-CG 4.32Å; W273-P275 HydrophobicContact CH2-CB 3.84Å; W273-P275 HydrophobicContact CH2-CG 3.67Å; W273-P275 HydrophobicContact CZ2-CB 4.06Å; W273-P275 HydrophobicContact CZ2-CG 4.24Å; W273-P275 HydrophobicContact CZ3-CB 4.38Å; W273-P275 HydrophobicContact CZ3-CG 3.7Å
274E84.1Confident75.7Confident160 Ų160100 Ų10075%0.74856%0.559SS**  trans-112.1127.6168.4-74.3-178.1176.900108.6R272 S276R272-E274 PolarHBondContact O-N 3.34Å; E274-S276 PolarHBondContact O-N 2.84Å
275P77.8Confident73.9Confident81 Ų81101.1 Ų101.153%0.52657%0.571SS.*  trans-58127.4171.4-13.122.7000108.6W273 S277W273-P275 HydrophobicContact CE3-CG 4.32Å; W273-P275 HydrophobicContact CH2-CB 3.84Å; W273-P275 HydrophobicContact CH2-CG 3.67Å; W273-P275 HydrophobicContact CZ2-CB 4.06Å; W273-P275 HydrophobicContact CZ2-CG 4.24Å; W273-P275 HydrophobicContact CZ3-CB 4.38Å; W273-P275 HydrophobicContact CZ3-CG 3.7Å; P275-S277 PolarHBondContact O-N 2.72Å
276S63.4Low72.3Confident104 Ų104104.6 Ų104.673%0.72759%0.589SS**  trans-59.9112179.473.80000109.1E274 Q278E274-S276 PolarHBondContact O-N 2.84Å; S276-Q278 PolarHBondContact O-N 2.88Å
277S49.6Very low70.9Confident114 Ų114103 Ų10380%0.79757%0.571SS**  trans-7571.7166.860.10000108.1P275 P279P275-S277 PolarHBondContact O-N 2.72Å; S277-P279 WeakPolarHBondContact O-CD 3.44Å
278Q47.3Very low69.5Low161 Ų16197.4 Ų97.475%0.75256%0.557SS**  trans-67.3114.3155.6-79.9-169-21.300105.4S276 T280S276-Q278 PolarHBondContact O-N 2.88Å; Q278-T280 PolarHBondContact O-N 3.47Å
279P43.1Very low68.3Low107 Ų10795 Ų9570%0.69555%0.546SS*.  trans-60.4115.7166.625-29.4000105.2S277 I281S277-P279 WeakPolarHBondContact O-CD 3.44Å; P279-I281 PolarHBondContact O-N 3.27Å
280T50.4Low67.3Low133 Ų13397.8 Ų97.882%0.81656%0.561SS**  trans-61.286.9162.6-38.50000105.1Q278 P282Q278-T280 PolarHBondContact O-N 3.47Å; T280-P282 VanDerWaalsContact O-CD 3.3Å; T280-P282 WeakPolarHBondContact O-CD 3.39Å
281I53.2Low66.3Low107 Ų10798.6 Ų98.655%0.54957%0.566SS.*  trans-51.5118.9168.6-64.5173.3000103.4P279 I283 I286P279-I281 PolarHBondContact O-N 3.27Å; I281-I283 PolarHBondContact O-N 2.97Å; I281-I286 HydrophobicContact CG2-CD1 3.86Å
282P52.2Low65.1Low89 Ų89102.7 Ų102.758%0.57859%0.587SS**  trans-72.187.3-176.328.4-31.6000106.4T280 V284 G285 I286T280-P282 VanDerWaalsContact O-CD 3.3Å; T280-P282 WeakPolarHBondContact O-CD 3.39Å; P282-V284 PolarHBondContact O-N 3.26Å; P282-G285 PolarHBondContact O-N 3Å; P282-I286 PolarHBondContact O-N 3.06Å
283I58.3Low64.2Low116 Ų116102.3 Ų102.360%0.59559%0.59SS**Hα-helixtrans-52.8-30.7176.6-67.3168.1000109.1I281 G285 I286 I287I281-I283 PolarHBondContact O-N 2.97Å; I283-G285 PolarHBondContact O-N 3.38Å; I283-I286 PolarHBondContact O-N 3.4Å; I283-I287 HydrophobicContact CG2-CD1 3.74Å; I283-I287 HydrophobicContact CG2-CG1 4.33Å; I283-I287 VanDerWaalsContact O-CG1 3.29Å; I283-I287 WeakPolarHBondContact O-CG1 3.04Å; I283-I287 PolarHBondContact O-N 3.46Å
284V55.2Low63.2Low119 Ų119101.9 Ų101.972%0.72160%0.601SS**Hα-helixtrans-60.1-40.4173.4-174.70000112.9P282 A288P282-V284 PolarHBondContact O-N 3.26Å; V284-A288 WeakPolarHBondContact O-CB 3.36Å; V284-A288 PolarHBondContact O-N 3.46Å
285G56.8Low62.8Low45 Ų4597.1 Ų97.146%0.46459%0.589SS.*Hα-helixtrans-70-35.8179.600000113P282 I283 G289P282-G285 PolarHBondContact O-N 3Å; I283-G285 PolarHBondContact O-N 3.38Å; G285-G289 PolarHBondContact O-N 3.13Å
286I64.6Low62.8Low98 Ų9898.2 Ų98.250%0.50359%0.593SS.*Hα-helixtrans-71.4-42.2176.5-60.2176.2000110.4I281 P282 I283 G289 L290I281-I286 HydrophobicContact CG2-CD1 3.86Å; P282-I286 PolarHBondContact O-N 3.06Å; I283-I286 PolarHBondContact O-N 3.4Å; I286-G289 PolarHBondContact O-N 2.85Å; I286-L290 HydrophobicContact CG2-CD1 3.96Å; I286-L290 HydrophobicContact CG2-CG 4.47Å; I286-L290 WeakPolarHBondContact O-CB 3.3Å; I286-L290 VanDerWaalsContact O-CG 3.32Å; I286-L290 WeakPolarHBondContact O-CG 3.5Å; I286-L290 PolarHBondContact O-N 3.27Å
287I65.8Low63.3Low99 Ų9998.2 Ų98.251%0.50858%0.584SS.*Hα-helixtrans-64.2-46.4176.5-66.9170.3000110.8I283 G289 L290 V291I283-I287 HydrophobicContact CG2-CD1 3.74Å; I283-I287 HydrophobicContact CG2-CG1 4.33Å; I283-I287 VanDerWaalsContact O-CG1 3.29Å; I283-I287 WeakPolarHBondContact O-CG1 3.04Å; I283-I287 PolarHBondContact O-N 3.46Å; I287-G289 VanDerWaalsContact C-N 3.32Å; I287-G289 PolarHBondContact O-N 2.98Å; I287-L290 PolarHBondContact O-N 2.93Å; I287-V291 HydrophobicContact CG2-CG2 4.33Å; I287-V291 VanDerWaalsContact O-CG2 3.29Å; I287-V291 WeakPolarHBondContact O-CG2 3.4Å; I287-V291 PolarHBondContact O-N 3Å
288A66.8Low64.4Low50 Ų5097 Ų9741%0.41357%0.572SS.*Hα-helixtrans-60.9-41.917700000111.9V284 V291 L292V284-A288 WeakPolarHBondContact O-CB 3.36Å; V284-A288 PolarHBondContact O-N 3.46Å; A288-V291 PolarHBondContact O-N 2.75Å; A288-L292 WeakPolarHBondContact O-CB 3.16Å; A288-L292 WeakPolarHBondContact O-CG 3.03Å; A288-L292 PolarHBondContact O-N 3.32Å
289G71.3Confident65.6Low31 Ų3191.3 Ų91.332%0.3256%0.557SS.*Hα-helixtrans-61.7-44.3175.300000113G285 I286 I287 L292 F293G285-G289 PolarHBondContact O-N 3.13Å; I286-G289 PolarHBondContact O-N 2.85Å; I287-G289 VanDerWaalsContact C-N 3.32Å; I287-G289 PolarHBondContact O-N 2.98Å; G289-L292 PolarHBondContact O-N 2.88Å; G289-F293 WeakPolarHBondContact O-CB 3.4Å; G289-F293 PolarHBondContact O-N 2.93Å
290L76.4Confident67.1Low120 Ų12089 Ų8963%0.62855%0.547SS*.Hα-helixtrans-67.9-38.5178.3-74.4169.9000112.8I286 I287 F293 G294I286-L290 HydrophobicContact CG2-CD1 3.96Å; I286-L290 HydrophobicContact CG2-CG 4.47Å; I286-L290 WeakPolarHBondContact O-CB 3.3Å; I286-L290 VanDerWaalsContact O-CG 3.32Å; I286-L290 WeakPolarHBondContact O-CG 3.5Å; I286-L290 PolarHBondContact O-N 3.27Å; I287-L290 PolarHBondContact O-N 2.93Å; L290-F293 PolarHBondContact O-N 3.45Å; L290-G294 PolarHBondContact O-N 3.28Å
291V75.3Confident68.3Low98 Ų9886.6 Ų86.659%0.59453%0.531SS*.Hα-helixtrans-65.4-43.7176171.50000110.7I287 A288 G294 A295I287-V291 HydrophobicContact CG2-CG2 4.33Å; I287-V291 VanDerWaalsContact O-CG2 3.29Å; I287-V291 WeakPolarHBondContact O-CG2 3.4Å; I287-V291 PolarHBondContact O-N 3Å; A288-V291 PolarHBondContact O-N 2.75Å; V291-G294 PolarHBondContact O-N 3.47Å; V291-A295 WeakPolarHBondContact O-CB 3.46Å; V291-A295 PolarHBondContact O-N 2.79Å
292L71.6Confident69.3Low120 Ų12085.4 Ų85.463%0.62853%0.529SS*.Hα-helixtrans-64.4-45.3176.3-74.7168.9000111.8A288 G289 G294 A295 V296A288-L292 WeakPolarHBondContact O-CB 3.16Å; A288-L292 WeakPolarHBondContact O-CG 3.03Å; A288-L292 PolarHBondContact O-N 3.32Å; G289-L292 PolarHBondContact O-N 2.88Å; L292-G294 VanDerWaalsContact C-N 3.35Å; L292-G294 PolarHBondContact O-N 3.12Å; L292-A295 PolarHBondContact O-N 3.35Å; L292-V296 WeakPolarHBondContact O-CG2 3.49Å; L292-V296 PolarHBondContact O-N 3.34Å
293F72.6Confident70.3Confident150 Ų15084 Ų8466%0.65853%0.525SS*.Hα-helixtrans-61.5-43.3175.4-105-87.4000112.1G289 L290 A295 V296 I297G289-F293 WeakPolarHBondContact O-CB 3.4Å; G289-F293 PolarHBondContact O-N 2.93Å; L290-F293 PolarHBondContact O-N 3.45Å; F293-A295 PolarHBondContact O-N 3.18Å; F293-V296 PolarHBondContact O-N 2.72Å; F293-I297 WeakPolarHBondContact O-CG1 3.22Å; F293-I297 PolarHBondContact O-N 3.13Å
294G72.3Confident70.9Confident38 Ų3881.2 Ų81.239%0.39252%0.519SS..Hα-helixtrans-58.5-46.5176.200000112.1L290 V291 L292 I297 T298L290-G294 PolarHBondContact O-N 3.28Å; V291-G294 PolarHBondContact O-N 3.47Å; L292-G294 VanDerWaalsContact C-N 3.35Å; L292-G294 PolarHBondContact O-N 3.12Å; G294-I297 PolarHBondContact O-N 2.98Å; G294-T298 PolarHBondContact O-N 2.72Å; G294-T298 PolarHBondContact O-OG1 3.32Å
295A74.9Confident71.7Confident60 Ų6079.5 Ų79.550%0.49651%0.509SS..Hα-helixtrans-64.6-40.5178.600000112.9V291 L292 F293 T298 G299V291-A295 WeakPolarHBondContact O-CB 3.46Å; V291-A295 PolarHBondContact O-N 2.79Å; L292-A295 PolarHBondContact O-N 3.35Å; F293-A295 PolarHBondContact O-N 3.18Å; A295-T298 WeakPolarHBondContact CA-OG1 3.47Å; A295-T298 PolarHBondContact O-N 3.01Å; A295-T298 PolarHBondContact O-OG1 2.86Å; A295-G299 PolarHBondContact O-N 3.16Å
296V77.3Confident72.5Confident103 Ų10383.5 Ų83.562%0.62452%0.517SS*.Hα-helixtrans-64.8-43.9176.51720000111L292 F293 G299 A300L292-V296 WeakPolarHBondContact O-CG2 3.49Å; L292-V296 PolarHBondContact O-N 3.34Å; F293-V296 PolarHBondContact O-N 2.72Å; V296-G299 PolarHBondContact O-N 2.89Å; V296-A300 WeakPolarHBondContact O-CB 3.38Å; V296-A300 PolarHBondContact O-N 3.19Å
297I74.2Confident72.7Confident104 Ų10488.7 Ų88.753%0.53353%0.531SS..Hα-helixtrans-65.8-43.8178.5-68.4-177.1000110.8F293 G294 G299 A300 V301F293-I297 WeakPolarHBondContact O-CG1 3.22Å; F293-I297 PolarHBondContact O-N 3.13Å; G294-I297 PolarHBondContact O-N 2.98Å; I297-G299 PolarHBondContact O-N 2.81Å; I297-A300 PolarHBondContact O-N 3.35Å; I297-V301 HydrophobicContact CG2-CG2 4.37Å; I297-V301 VanDerWaalsContact O-CG2 3.28Å; I297-V301 WeakPolarHBondContact O-CG2 3.31Å; I297-V301 PolarHBondContact O-N 3.06Å
298T72Confident72.7Confident89 Ų8993.4 Ų93.455%0.54654%0.542SS..Hα-helixtrans-63.1-43176.117.60000111.6G294 A295 A300 V301 V302G294-T298 PolarHBondContact O-N 2.72Å; G294-T298 PolarHBondContact O-OG1 3.32Å; A295-T298 WeakPolarHBondContact CA-OG1 3.47Å; A295-T298 PolarHBondContact O-N 3.01Å; A295-T298 PolarHBondContact O-OG1 2.86Å; T298-A300 PolarHBondContact O-N 3.09Å; T298-V301 PolarHBondContact O-N 2.94Å; T298-V302 VanDerWaalsContact O-CG2 3.28Å; T298-V302 WeakPolarHBondContact O-CG2 3.36Å; T298-V302 PolarHBondContact O-N 3.44Å
299G72.9Confident72.3Confident42 Ų42100.4 Ų100.443%0.43356%0.558SS.*Hα-helixtrans-58.8-45.2174.500000112.9A295 V296 I297 V302 A303A295-G299 PolarHBondContact O-N 3.16Å; V296-G299 PolarHBondContact O-N 2.89Å; I297-G299 PolarHBondContact O-N 2.81Å; G299-V302 PolarHBondContact O-N 3.16Å; G299-A303 WeakPolarHBondContact O-CB 3.35Å; G299-A303 PolarHBondContact O-N 3.2Å
300A75.1Confident71.5Confident59 Ų59107.3 Ų107.349%0.48858%0.579SS.*Hα-helixtrans-64.8-41.5178.200000112.5V296 I297 T298 A303 A304V296-A300 WeakPolarHBondContact O-CB 3.38Å; V296-A300 PolarHBondContact O-N 3.19Å; I297-A300 PolarHBondContact O-N 3.35Å; T298-A300 PolarHBondContact O-N 3.09Å; A300-A303 PolarHBondContact O-N 3.47Å; A300-A304 VanDerWaalsContact O-CB 3.3Å; A300-A304 WeakPolarHBondContact O-CB 3.47Å; A300-A304 PolarHBondContact O-N 2.8Å
301V76.1Confident70.5Confident81 Ų81105 Ų10549%0.49157%0.573SS.*Hα-helixtrans-65.6-44.8177172.50000110.9I297 T298 A303 A304 V305I297-V301 HydrophobicContact CG2-CG2 4.37Å; I297-V301 VanDerWaalsContact O-CG2 3.28Å; I297-V301 WeakPolarHBondContact O-CG2 3.31Å; I297-V301 PolarHBondContact O-N 3.06Å; T298-V301 PolarHBondContact O-N 2.94Å; V301-A303 PolarHBondContact O-N 3.09Å; V301-A304 PolarHBondContact O-N 3.24Å; V301-V305 HydrophobicContact CG1-CG2 4.32Å; V301-V305 WeakPolarHBondContact O-CB 3.34Å; V301-V305 VanDerWaalsContact O-CG2 3.27Å; V301-V305 WeakPolarHBondContact O-CG2 3.45Å; V301-V305 PolarHBondContact O-N 3.39Å
302V74.4Confident69.4Low83 Ų83104.5 Ų104.550%0.50357%0.573SS.*Hα-helixtrans-62-44.7177172.90000110.7T298 G299 A304 V305 M306T298-V302 VanDerWaalsContact O-CG2 3.28Å; T298-V302 WeakPolarHBondContact O-CG2 3.36Å; T298-V302 PolarHBondContact O-N 3.44Å; G299-V302 PolarHBondContact O-N 3.16Å; V302-A304 PolarHBondContact O-N 3.17Å; V302-V305 PolarHBondContact O-N 2.84Å; V302-M306 HydrophobicContact CG1-CG 4.48Å; V302-M306 HydrophobicContact CG1-SD 4.15Å; V302-M306 WeakPolarHBondContact O-CB 3.5Å; V302-M306 WeakPolarHBondContact O-CG 3.39Å; V302-M306 PolarHBondContact O-N 3.45Å
303A71.9Confident68.2Low59 Ų59106.1 Ų106.149%0.48858%0.583SS.*Hα-helixtrans-61.3-43.6176.100000112.2G299 A300 V301 M306 W307G299-A303 WeakPolarHBondContact O-CB 3.35Å; G299-A303 PolarHBondContact O-N 3.2Å; A300-A303 PolarHBondContact O-N 3.47Å; V301-A303 PolarHBondContact O-N 3.09Å; A303-M306 PolarHBondContact O-N 3.36Å; A303-W307 WeakPolarHBondContact O-CB 3.28Å; A303-W307 PolarHBondContact O-N 3.3Å
304A72.1Confident67Low58 Ų58109.1 Ų109.148%0.47959%0.59SS.*Hα-helixtrans-65.4-40.1177.300000112.5A300 V301 V302 W307 R308A300-A304 VanDerWaalsContact O-CB 3.3Å; A300-A304 WeakPolarHBondContact O-CB 3.47Å; A300-A304 PolarHBondContact O-N 2.8Å; V301-A304 PolarHBondContact O-N 3.24Å; V302-A304 PolarHBondContact O-N 3.17Å; A304-W307 PolarHBondContact O-N 3.4Å; A304-R308 PolarHBondContact O-N 2.82Å
305V71.8Confident65.3Low83 Ų83117.1 Ų117.150%0.50361%0.614SS.*Hα-helixtrans-67.2-42.1176.3170.60000111V301 V302 W307 R308 R309V301-V305 HydrophobicContact CG1-CG2 4.32Å; V301-V305 WeakPolarHBondContact O-CB 3.34Å; V301-V305 VanDerWaalsContact O-CG2 3.27Å; V301-V305 WeakPolarHBondContact O-CG2 3.45Å; V301-V305 PolarHBondContact O-N 3.39Å; V302-V305 PolarHBondContact O-N 2.84Å; V305-W307 VanDerWaalsContact C-N 3.35Å; V305-R308 PolarHBondContact O-N 2.9Å; V305-R309 PolarHBondContact O-N 3.1Å
306M72.4Confident63.4Low129 Ų129118.1 Ų118.164%0.63563%0.63SS**Hα-helixtrans-63.7-39.7174.5-73.7-176.368.400111.9V302 A303 R309 K310V302-M306 HydrophobicContact CG1-CG 4.48Å; V302-M306 HydrophobicContact CG1-SD 4.15Å; V302-M306 WeakPolarHBondContact O-CB 3.5Å; V302-M306 WeakPolarHBondContact O-CG 3.39Å; V302-M306 PolarHBondContact O-N 3.45Å; A303-M306 PolarHBondContact O-N 3.36Å; M306-R309 PolarHBondContact O-N 3.41Å; M306-K310 WeakPolarHBondContact O-CB 3.5Å; M306-K310 PolarHBondContact O-N 3.44Å
307W70.4Confident61.3Low207 Ų207117 Ų11778%0.78464%0.639SS**Hα-helixtrans-63-44.7173.8-161.9-57.5000111.3A303 A304 V305 K310 S311A303-W307 WeakPolarHBondContact O-CB 3.28Å; A303-W307 PolarHBondContact O-N 3.3Å; A304-W307 PolarHBondContact O-N 3.4Å; V305-W307 VanDerWaalsContact C-N 3.35Å; W307-K310 PolarHBondContact O-N 3.03Å; W307-S311 PolarHBondContact O-N 2.92Å; W307-S311 PolarHBondContact O-OG 3.1Å
308R64.7Low59.4Low197 Ų197117.9 Ų117.974%0.74365%0.654SS**Hα-helixtrans-60.6-46.5175.6-96.7-174.1175.9177.2-0112A304 V305 K310 S311 S312A304-R308 PolarHBondContact O-N 2.82Å; V305-R308 PolarHBondContact O-N 2.9Å; R308-K310 VanDerWaalsContact C-N 3.31Å; R308-K310 PolarHBondContact O-N 3.26Å; R308-S311 WeakPolarHBondContact CA-OG 3.48Å; R308-S311 PolarHBondContact O-N 3.29Å; R308-S311 VanDerWaalsContact O-N 3.12Å; R308-S311 PolarHBondContact O-OG 3.16Å; R308-S312 PolarHBondContact O-N 3Å; R308-S312 PolarHBondContact O-OG 3.46Å
309R59.3Low57.7Low197 Ų197124.3 Ų124.374%0.74367%0.67SS**Hα-helixtrans-59.8-38.7175.8-104.6-177.2167.4178.1-3.2112.6V305 M306 S311 S312V305-R309 PolarHBondContact O-N 3.1Å; M306-R309 PolarHBondContact O-N 3.41Å; R309-S311 VanDerWaalsContact C-N 3.34Å; R309-S312 PolarHBondContact O-OG 3.13Å; R309-S312 VanDerWaalsContact O-OG 3.07Å
310K54.7Low55.9Low177 Ų177127.7 Ų127.777%0.7769%0.687SS**Hα-helixtrans-72.1-26.2176.8-164.4173.7-179.3179.60113M306 W307 R308M306-K310 WeakPolarHBondContact O-CB 3.5Å; M306-K310 PolarHBondContact O-N 3.44Å; W307-K310 PolarHBondContact O-N 3.03Å; R308-K310 VanDerWaalsContact C-N 3.31Å; R308-K310 PolarHBondContact O-N 3.26Å
311S53.8Low54.1Low71 Ų71134.1 Ų134.150%0.49771%0.707SS.*Hα-helixtrans-85.5-22.8176.363.90000114.7W307 R308 R309W307-S311 PolarHBondContact O-N 2.92Å; W307-S311 PolarHBondContact O-OG 3.1Å; R308-S311 WeakPolarHBondContact CA-OG 3.48Å; R308-S311 PolarHBondContact O-N 3.29Å; R308-S311 VanDerWaalsContact O-N 3.12Å; R308-S311 PolarHBondContact O-OG 3.16Å; R309-S311 VanDerWaalsContact C-N 3.34Å
312S52.9Low52Low87 Ų87135 Ų13561%0.60872%0.723SS**Hα-helixtrans-80.4-16179.255.60000114.3R308 R309 R314R308-S312 PolarHBondContact O-N 3Å; R308-S312 PolarHBondContact O-OG 3.46Å; R309-S312 PolarHBondContact O-OG 3.13Å; R309-S312 VanDerWaalsContact O-OG 3.07Å; S312-R314 PolarHBondContact O-N 3.46Å
313D46.1Very low50.2Low154 Ų154136 Ų13682%0.82474%0.739SS**THydrogen-bonded Turntrans-81.65.3174.5-100.5-7.2000113.9
314R46.7Very low48.3Very low214 Ų214138.6 Ų138.681%0.80875%0.754SS**SBendtrans-137.945.3-173.4-155.5-177.2168.6156.3-2.6115.3S312S312-R314 PolarHBondContact O-N 3.46Å
315K38Very low46.6Very low206 Ų206141.4 Ų141.490%0.89677%0.77SS**  trans-173.394.8151.1-105.9158-176.5-172.90112.1
316G35.2Very low44.9Very low80 Ų80144.8 Ų144.883%0.82579%0.786SS**  trans-84.6142.815800000111.1
317G32.7Very low43.5Very low80 Ų80144.8 Ų144.883%0.82580%0.798SS**  trans76.6111.9148.900000118.8
318S34.5Very low42Very low122 Ų122139.7 Ų139.785%0.85380%0.8SS**  178.4130.9107.6-171.60000110.9
319Y35.2Very low41Very low224 Ų224139.7 Ų139.788%0.87881%0.809SS**  trans-73145.6168.1-89.3-103.9000111.4
320S36.7Very low39.8Very low113 Ų113133.7 Ų133.779%0.7981%0.808SS**  trans-169.9108.2133.536.50000112.7
321Q35.8Very low39.2Very low195 Ų195130.8 Ų130.891%0.91181%0.81SS**  53.6127.7129.4-142.9163.41.700122.3
322A33.1Very low38.5Very low98 Ų98134.5 Ų134.581%0.8183%0.825SS**  trans-74.2154.4179.100000114.3
323A35.8Very low37.7Very low104 Ų104136.2 Ų136.286%0.8683%0.831SS**  trans-124.3126.9152.400000107.9
324S33.2Very low37.3Very low114 Ų114133 Ų13380%0.79782%0.82SS**  trans-77.1150178.759.10000112.5
325S36.2Very low36.9Very low117 Ų117129.8 Ų129.882%0.81882%0.819SS**  trans-147.7118.7142.657.70000109.8
326D36.1Very low37Very low154 Ų154125.7 Ų125.782%0.82481%0.811SS**  trans-54.7145.2167.4-76.1-51.9000113
327S42.8Very low37.1Very low129 Ų129125.8 Ų125.890%0.90280%0.804SS**  trans-163.8111.6133.20.20000109.6
328A38.4Very low37.3Very low100 Ų100128 Ų12883%0.82681%0.805SS**  trans-99.2133.8168.500000109.8
329Q42.9Very low37.5Very low198 Ų198131.6 Ų131.693%0.92581%0.806SS**  trans-162.6110.5154.1-109.6173.7-15.500104.1
330G35.3Very low37.9Very low71 Ų71130.7 Ų130.773%0.73282%0.823SS**  84.1128.175.300000107.7
331S41.9Very low38Very low115 Ų115131.6 Ų131.680%0.80482%0.824SS**  cis-166.913323.5-58.10000105.9
332D38.6Very low38.1Very low150 Ų150128.2 Ų128.280%0.80282%0.82SS**  60.3117.9103.6-93.7-6.9000116.2
333V36.9Very low38.4Very low123 Ų123129.9 Ų129.975%0.74582%0.82SS**  86.3138.3108.6160.40000111.6
334S37.3Very low38.5Very low85 Ų85131.4 Ų131.459%0.59482%0.818SS**  cis-177153.5-0.1-89.10000106.3
335L38.8Very low38.9Very low148 Ų148132.5 Ų132.578%0.77582%0.819SS**  112.7124.7100.8-102.8169.7000114.9
336T38.8Very low39Very low120 Ų120133.5 Ų133.574%0.73682%0.819SS**  trans78.3133.9138.2160000125.7
337A38.2Very low39.3Very low81 Ų81132.1 Ų132.167%0.66982%0.819SS**  86.9115.4128.600000118.8
338C37.9Very low39Very low127 Ų127132.3 Ų132.386%0.85881%0.813SS**  63.7137.795.4-740000112.5
339K38.4Very low39Very low198 Ų198135 Ų13586%0.86181%0.812SS**  cis179.4160.841.7-140.4174.2179.8174.90103.2
340V43.3Very low38.7Very low204 Ų204129.3 Ų129.3100%1.23680%0.801SS**  cis-161.7045.5170.30000106.3

Retrieved 340 of 340 residues in 1536.8 ms (Link to these results)

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