A0A090LXA5_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A090LXA5, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 273 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1S94.9Very high98.4Very high92 Ų9239.7 Ų39.764%0.64321%0.211SC*.  0153.40-570000107.9L102 P104S1-L102 VanDerWaalsContact CA-O 3.26Å; S1-L102 WeakPolarHBondContact CA-O 3.36Å; S1-L102 VanDerWaalsContact CB-O 3.25Å; S1-L102 WeakPolarHBondContact CB-O 3.41Å; S1-P104 WeakPolarHBondContact OG-CD 3.35Å
2H98.3Very high98.3Very high48 Ų4837.7 Ų37.722%0.22220%0.202CC..EExtended strand (participates in β ladder)trans-142158.3179.8-67.9-75000110.4D28 D101 L102 L167 L171H2-D28 VanDerWaalsContact CA-OD1 3.22Å; H2-D28 WeakPolarHBondContact CA-OD1 3.32Å; H2-D28 IonicContact CE1-OD2 3.85Å; H2-D28 IonicContact CG-OD2 3.26Å; H2-D28 IonicContact ND1-OD1 2.95Å; H2-D28 IonicContact ND1-OD2 2.84Å; H2-D28 PolarHBondContact ND1-OD2 3.11Å; H2-D101 CarbonylContact O-C 3.57Å; H2-D101 WeakPolarHBondContact O-CA 3.47Å; H2-L102 PolarHBondContact N-O 2.77Å; H2-L102 VanDerWaalsContact N-O 3.13Å; H2-L102 PolarHBondContact O-N 3.13Å; H2-L167 HydrophobicContact CB-CD1 4.38Å; H2-L171 HydrophobicContact CB-CD1 3.76Å; H2-L171 HydrophobicContact CB-CD2 4.01Å; H2-L171 HydrophobicContact CB-CG 4.45Å; H2-L171 VanDerWaalsContact CG-CD2 3.49Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.47Å
3S98.6Very high98.2Very high25 Ų2540 Ų4018%0.17521%0.207CC..EExtended strand (participates in β ladder)trans-134.7149.7178.265.80000111.5V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.51Å; S3-V27 VanDerWaalsContact O-CA 3.3Å; S3-V27 WeakPolarHBondContact O-CA 3.23Å; S3-D28 PolarHBondContact N-OD1 3.29Å; S3-D28 PolarHBondContact O-N 2.78Å; S3-C100 WeakPolarHBondContact CA-O 3.04Å; S3-D101 VanDerWaalsContact CB-OD1 3.23Å; S3-D101 WeakPolarHBondContact CB-OD1 3.5Å
4M98.8Very high97.9Very high0 Ų041.3 Ų41.30%022%0.219CC..EExtended strand (participates in β ladder)trans-123.1125.1166.5-173.8171.464.400108.3Y6 Y26 V27 F32 G99 C100 C163 W166 L167M4-Y6 HydrophobicContact CE-CE2 4.38Å; M4-Y6 HydrophobicContact CG-CE2 4.44Å; M4-Y6 HydrophobicContact SD-CE2 4.38Å; M4-Y26 CarbonylContact C-O 3.53Å; M4-Y26 WeakPolarHBondContact CA-O 3.34Å; M4-V27 HydrophobicContact CG-CG2 4.26Å; M4-F32 HydrophobicContact CG-CE1 4.33Å; M4-F32 HydrophobicContact CG-CZ 4.46Å; M4-F32 HydrophobicContact SD-CZ 4.21Å; M4-G99 CarbonylContact O-C 3.5Å; M4-G99 WeakPolarHBondContact O-CA 3.06Å; M4-C100 PolarHBondContact N-O 3.23Å; M4-C100 PolarHBondContact O-N 3.01Å; M4-C163 HydrophobicContact CE-CB 4.21Å; M4-C163 WeakPolarHBondContact CE-O 3.38Å; M4-C163 VanDerWaalsContact CE-SG 3.55Å; M4-W166 HydrophobicContact CE-CB 4Å; M4-W166 HydrophobicContact SD-CB 4.37Å; M4-L167 HydrophobicContact CB-CB 4.01Å; M4-L167 HydrophobicContact CB-CD1 4.01Å; M4-L167 HydrophobicContact CB-CD2 4.05Å; M4-L167 HydrophobicContact CB-CG 4.23Å; M4-L167 HydrophobicContact CE-CB 4.4Å; M4-L167 HydrophobicContact SD-CB 4.42Å
5R98.8Very high97.6Very high48 Ų4844.5 Ų44.518%0.18127%0.265CS..EExtended strand (participates in β ladder)trans-132.1140-176.8-58.2-62.4-178.880.35.3111F7 G25 Y26 Y98 D101 H112R5-F7 HydrophobicContact CB-CD2 4.38Å; R5-F7 HydrophobicContact CB-CE2 3.57Å; R5-F7 HydrophobicContact CB-CZ 3.84Å; R5-F7 HydrophobicContact CG-CZ 4.46Å; R5-G25 CarbonylContact O-C 3.55Å; R5-G25 WeakPolarHBondContact O-CA 3.5Å; R5-Y26 PolarHBondContact N-O 3.46Å; R5-Y26 PolarHBondContact O-N 3.09Å; R5-Y98 WeakPolarHBondContact CA-O 3.46Å; R5-D101 IonicContact CZ-OD1 2.73Å; R5-D101 IonicContact NE-OD1 2.81Å; R5-D101 PolarHBondContact NE-OD1 2.96Å; R5-D101 VanDerWaalsContact NH2-CG 3.35Å; R5-D101 IonicContact NH2-OD1 2.87Å; R5-D101 PolarHBondContact NH2-OD1 2.82Å; R5-D101 IonicContact NH2-OD2 3.18Å; R5-D101 PolarHBondContact NH2-OD2 2.64Å; R5-D101 VanDerWaalsContact NH2-OD2 3.12Å; R5-H112 PolarHBondContact NH2-CD2 3.17Å; R5-H112 PolarHBondContact NH2-NE2 3.24Å; R5-H112 VanDerWaalsContact NH2-NE2 3.14Å
6Y98.9Very high97.4Very high13 Ų1354.8 Ų54.85%0.05130%0.298CS..EExtended strand (participates in β ladder)trans-113134.6167.4-72.6-88.3000109.6M4 Y8 V24 F32 V33 F66 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.38Å; M4-Y6 HydrophobicContact CG-CE2 4.44Å; M4-Y6 HydrophobicContact SD-CE2 4.38Å; Y6-Y8 HydrophobicContact CD1-CE1 4.34Å; Y6-Y8 HydrophobicContact CG-CE1 4.44Å; Y6-V24 WeakPolarHBondContact CA-O 3.44Å; Y6-F32 HydrophobicContact CE1-CZ 4.16Å; Y6-F32 AromaticContact CZ-CZ 3.81Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.49Å; Y6-V33 HydrophobicContact CE1-CG2 3.95Å; Y6-F66 HydrophobicContact CD1-CZ 4.42Å; Y6-F66 HydrophobicContact CE1-CZ 4.29Å; Y6-M97 WeakPolarHBondContact O-CA 3.11Å; Y6-Y98 VanDerWaalsContact CB-CE1 3.42Å; Y6-Y98 AromaticContact CD2-CE2 3.9Å; Y6-Y98 HydrophobicContact CD2-CE2 3.9Å; Y6-Y98 AromaticContact CD2-CZ 3.74Å; Y6-Y98 WeakPolarHBondContact CD2-OH 3.26Å; Y6-Y98 HydrophobicContact CG-CE1 4.2Å; Y6-Y98 HydrophobicContact CG-CE2 4.39Å; Y6-Y98 AromaticContact CG-CZ 3.79Å; Y6-Y98 PolarHBondContact N-O 3.08Å; Y6-Y98 PolarHBondContact O-N 2.98Å; Y6-Y98 VanDerWaalsContact O-N 3.15Å
7F98.9Very high97.2Very high85 Ų8554.9 Ų54.937%0.37332%0.315SS..EExtended strand (participates in β ladder)trans-119119.3178-57.5-94.1000109R5 A23 V24 Y26 R96 M97R5-F7 HydrophobicContact CB-CD2 4.38Å; R5-F7 HydrophobicContact CB-CE2 3.57Å; R5-F7 HydrophobicContact CB-CZ 3.84Å; R5-F7 HydrophobicContact CG-CZ 4.46Å; F7-A23 WeakPolarHBondContact O-CA 3.48Å; F7-V24 HydrophobicContact CB-CG2 3.85Å; F7-V24 HydrophobicContact CD2-CG2 4.31Å; F7-V24 PolarHBondContact N-O 2.86Å; F7-V24 PolarHBondContact O-N 3.25Å; F7-Y26 HydrophobicContact CD2-CD2 4.01Å; F7-Y26 HydrophobicContact CE2-CD2 4.02Å; F7-Y26 HydrophobicContact CE2-CG 4.48Å; F7-R96 WeakPolarHBondContact CA-O 3.22Å; F7-M97 HydrophobicContact CD1-CB 4.02Å; F7-M97 HydrophobicContact CD1-CG 3.72Å; F7-M97 HydrophobicContact CE1-CB 4.14Å; F7-M97 HydrophobicContact CE1-CG 3.4Å; F7-M97 VanDerWaalsContact CE1-CG 3.4Å; F7-M97 HydrophobicContact CZ-CG 4.06Å
8Y98.8Very high97.1Very high4 Ų456.6 Ų56.62%0.01632%0.32CS..EExtended strand (participates in β ladder)trans-110.8139.1177.3-59.3-8.2000109.6Y6 F21 I22 A23 F66 Y73 Q95 R96 Y98Y6-Y8 HydrophobicContact CD1-CE1 4.34Å; Y6-Y8 HydrophobicContact CG-CE1 4.44Å; Y8-F21 HydrophobicContact CD1-CZ 4.25Å; Y8-F21 HydrophobicContact CD2-CE2 4.06Å; Y8-F21 AromaticContact CD2-CZ 3.8Å; Y8-F21 HydrophobicContact CD2-CZ 3.8Å; Y8-F21 HydrophobicContact CE2-CZ 4.24Å; Y8-F21 HydrophobicContact CG-CE2 4.09Å; Y8-F21 AromaticContact CG-CZ 3.8Å; Y8-F21 HydrophobicContact CG-CZ 3.8Å; Y8-I22 CarbonylContact C-O 3.53Å; Y8-I22 WeakPolarHBondContact CA-O 3.32Å; Y8-A23 HydrophobicContact CD1-CB 3.44Å; Y8-A23 VanDerWaalsContact CD1-CB 3.44Å; Y8-A23 HydrophobicContact CE1-CB 3.63Å; Y8-A23 HydrophobicContact CG-CB 4.35Å; Y8-F66 HydrophobicContact CE1-CD1 4.29Å; Y8-F66 AromaticContact CE1-CE1 3.61Å; Y8-F66 HydrophobicContact CE1-CE1 3.61Å; Y8-F66 AromaticContact CZ-CE1 3.72Å; Y8-F66 WeakPolarHBondContact OH-CE1 3.39Å; Y8-Y73 AromaticContact CD2-CE2 3.98Å; Y8-Y73 HydrophobicContact CD2-CE2 3.98Å; Y8-Y73 AromaticContact CD2-CZ 3.91Å; Y8-Y73 WeakPolarHBondContact CD2-OH 3.33Å; Y8-Q95 CarbonylContact O-C 3.55Å; Y8-Q95 VanDerWaalsContact O-CA 3.25Å; Y8-Q95 WeakPolarHBondContact O-CA 3.47Å; Y8-R96 PolarHBondContact N-O 3.15Å; Y8-R96 PolarHBondContact O-N 2.88Å; Y8-Y98 HydrophobicContact CD2-CE1 4.45Å; Y8-Y98 AromaticContact CE1-CE1 3.86Å; Y8-Y98 HydrophobicContact CE1-CE1 3.86Å; Y8-Y98 AromaticContact CE2-CE1 3.79Å; Y8-Y98 HydrophobicContact CE2-CE1 3.79Å; Y8-Y98 AromaticContact CZ-CE1 3.45Å; Y8-Y98 VanDerWaalsContact CZ-CE1 3.45Å; Y8-Y98 AromaticContact CZ-CZ 3.94Å; Y8-Y98 WeakPolarHBondContact OH-CE1 3.49Å; Y8-Y98 PolarHBondContact OH-OH 3.29Å
9T98.8Very high97.1Very high49 Ų4954.7 Ų54.730%0.30131%0.31SS..EExtended strand (participates in β ladder)trans-131.5120.4172.8-56.30000108.6F21 I22 I93 I94 Q95T9-F21 WeakPolarHBondContact O-CA 3.27Å; T9-I22 PolarHBondContact N-O 3.14Å; T9-I22 PolarHBondContact O-N 3.31Å; T9-I93 HydrophobicContact CG2-CG2 3.91Å; T9-I94 WeakPolarHBondContact CA-O 3.41Å; T9-Q95 HydrophobicContact CG2-CG 4.34Å
10A98.6Very high97.2Very high1 Ų155.6 Ų55.61%0.00831%0.308CS..EExtended strand (participates in β ladder)trans-114.3122.8171.600000109.5R20 F21 Y73 L77 I93 I94A10-R20 CarbonylContact C-O 3.53Å; A10-R20 VanDerWaalsContact CA-O 3.3Å; A10-R20 WeakPolarHBondContact CA-O 3.4Å; A10-F21 HydrophobicContact CB-CD2 4.19Å; A10-Y73 HydrophobicContact CB-CD1 3.63Å; A10-Y73 HydrophobicContact CB-CG 3.95Å; A10-L77 HydrophobicContact CB-CD1 4.21Å; A10-I93 CarbonylContact O-C 3.54Å; A10-I93 WeakPolarHBondContact O-CA 3.25Å; A10-I94 HydrophobicContact CB-CB 4.49Å; A10-I94 PolarHBondContact N-O 2.99Å; A10-I94 PolarHBondContact O-N 3.29Å
11M98.4Very high97.2Very high72 Ų7253 Ų5336%0.35529%0.294SS..EExtended strand (participates in β ladder)trans-123.3116.1-175.3179.4172.96400110.2P19 R20 H92 I93M11-P19 CarbonylContact O-C 3.55Å; M11-P19 WeakPolarHBondContact O-CA 3.39Å; M11-P19 WeakPolarHBondContact O-CB 3.47Å; M11-R20 PolarHBondContact N-O 3.05Å; M11-R20 PolarHBondContact O-N 3.4Å; M11-H92 WeakPolarHBondContact CA-O 3.49Å; M11-I93 HydrophobicContact CB-CG1 4.26Å; M11-I93 HydrophobicContact CG-CD1 4.48Å; M11-I93 HydrophobicContact CG-CG1 3.98Å; M11-I93 HydrophobicContact SD-CD1 4.36Å; M11-I93 HydrophobicContact SD-CG1 4.5Å
12S97.9Very high97.4Very high15 Ų1550.9 Ų50.911%0.10528%0.275CS..  trans-69.4152.617172.70000110.4S91 H92S12-S91 PolarHBondContact O-OG 3.34Å; S12-H92 PolarHBondContact N-O 3.06Å; S12-H92 PolarHBondContact OG-N 3.43Å; S12-H92 PolarHBondContact OG-O 3.27Å
13R96.5Very high97.4Very high68 Ų6848.7 Ų48.726%0.25727%0.265SS..  trans-147.971.1-18050.7174.3175.4-161.3-8.5110.6G15 R16 E18 D38R13-G15 PolarHBondContact O-N 2.84Å; R13-R16 HydrophobicContact CB-CB 4.16Å; R13-R16 WeakPolarHBondContact CD-O 3.38Å; R13-R16 HydrophobicContact CG-CB 4.23Å; R13-R16 PolarHBondContact NE-O 3Å; R13-R16 PolarHBondContact O-N 3.07Å; R13-E18 PolarHBondContact NE-O 2.77Å; R13-E18 PolarHBondContact NH2-O 3.16Å; R13-D38 IonicContact CZ-OD1 2.76Å; R13-D38 IonicContact CZ-OD2 3.5Å; R13-D38 IonicContact NH1-OD1 3.61Å; R13-D38 IonicContact NH1-OD2 2.63Å; R13-D38 PolarHBondContact NH1-OD2 2.87Å; R13-D38 IonicContact NH2-OD1 3.12Å; R13-D38 PolarHBondContact NH2-OD1 3.35Å; R13-D38 IonicContact NH2-OD2 3.15Å; R13-D38 PolarHBondContact NH2-OD2 2.86Å
14P93.9Very high97.5Very high58 Ų5848.9 Ų48.938%0.37727%0.265SS..THydrogen-bonded Turntrans-49.6132.6-176.3-26.835.2000112.1R16 E88 G90P14-R16 VanDerWaalsContact C-N 3.26Å; P14-R16 PolarHBondContact O-N 2.85Å; P14-E88 WeakPolarHBondContact CB-O 3Å; P14-E88 WeakPolarHBondContact CG-O 3.13Å; P14-G90 WeakPolarHBondContact CG-O 3.31Å
15G93.8Very high97.5Very high89 Ų8948.9 Ų48.992%0.91827%0.265SS*.THydrogen-bonded Turntrans76.40.3-176.900000115.9R13R13-G15 PolarHBondContact O-N 2.84Å
16R94.9Very high97.5Very high209 Ų20949.9 Ų49.979%0.78927%0.269SS*.SBendtrans-12525.8178.9-58.4-174.5-178.1178.21.1113.3R13 P14R13-R16 HydrophobicContact CB-CB 4.16Å; R13-R16 WeakPolarHBondContact CD-O 3.38Å; R13-R16 HydrophobicContact CG-CB 4.23Å; R13-R16 PolarHBondContact NE-O 3Å; R13-R16 PolarHBondContact O-N 3.07Å; P14-R16 VanDerWaalsContact C-N 3.26Å; P14-R16 PolarHBondContact O-N 2.85Å
17G93.2Very high97.5Very high57 Ų5749.3 Ų49.359%0.58827%0.267SS*.SBendtrans94-165.318000000113.8
18E95.6Very high97.4Very high86 Ų8646.7 Ų46.740%0.40226%0.257SS..SBendtrans-70.8157.4-177.8-70.5-64.7158.600112.5R13 R20 R74R13-E18 PolarHBondContact NE-O 2.77Å; R13-E18 PolarHBondContact NH2-O 3.16Å; E18-R20 PolarHBondContact O-N 3.28Å; E18-R74 VanDerWaalsContact CB-NH2 3.33Å; E18-R74 WeakPolarHBondContact OE2-CD 3.1Å; E18-R74 IonicContact OE2-CZ 3.61Å; E18-R74 VanDerWaalsContact OE2-CZ 3.29Å; E18-R74 IonicContact OE2-NE 3.36Å; E18-R74 PolarHBondContact OE2-NE 3.05Å; E18-R74 IonicContact OE2-NH1 2.68Å; E18-R74 IonicContact OE2-NH2 3.39Å
19P97.1Very high97.4Very high21 Ų2149.6 Ų49.614%0.13627%0.273CS..PPolyproline II helixtrans-53.3135.2175.2-2634.7000112.3M11 R74 L77M11-P19 CarbonylContact O-C 3.55Å; M11-P19 WeakPolarHBondContact O-CA 3.39Å; M11-P19 WeakPolarHBondContact O-CB 3.47Å; P19-R74 HydrophobicContact CG-CB 4.46Å; P19-R74 HydrophobicContact CG-CG 4.21Å; P19-L77 HydrophobicContact CB-CD1 3.54Å; P19-L77 HydrophobicContact CG-CD1 3.7Å
20R98.4Very high97.4Very high72 Ų7247.9 Ų47.927%0.27226%0.262SS..EExtended strand (participates in β ladder)trans-80.3133.3173.7-175.6-178.6-174.5178.4-2.1109.1A10 M11 E18 I22 D36 S37 D38A10-R20 CarbonylContact C-O 3.53Å; A10-R20 VanDerWaalsContact CA-O 3.3Å; A10-R20 WeakPolarHBondContact CA-O 3.4Å; M11-R20 PolarHBondContact N-O 3.05Å; M11-R20 PolarHBondContact O-N 3.4Å; E18-R20 PolarHBondContact O-N 3.28Å; R20-I22 HydrophobicContact CG-CG1 4.25Å; R20-D36 IonicContact CZ-OD1 3.24Å; R20-D36 IonicContact CZ-OD2 2.69Å; R20-D36 IonicContact NE-OD1 2.74Å; R20-D36 PolarHBondContact NE-OD1 3.46Å; R20-D36 IonicContact NE-OD2 3.76Å; R20-D36 IonicContact NH2-OD1 3.18Å; R20-D36 PolarHBondContact NH2-OD1 3.04Å; R20-D36 IonicContact NH2-OD2 3.84Å; R20-D36 PolarHBondContact NH2-OD2 3.05Å; R20-S37 WeakPolarHBondContact CA-OG 3.48Å; R20-D38 WeakPolarHBondContact CD-OD2 3.34Å; R20-D38 HydrophobicContact CG-CB 4.33Å; R20-D38 IonicContact NE-OD2 2.63Å
21F98.8Very high97.4Very high2 Ų250.4 Ų50.41%0.00927%0.274CS..EExtended strand (participates in β ladder)trans-115.7125.9175.1179.1-95.8000110Y8 T9 A10 A23 F35 S37 F66 N69 T70 Y73Y8-F21 HydrophobicContact CD1-CZ 4.25Å; Y8-F21 HydrophobicContact CD2-CE2 4.06Å; Y8-F21 AromaticContact CD2-CZ 3.8Å; Y8-F21 HydrophobicContact CD2-CZ 3.8Å; Y8-F21 HydrophobicContact CE2-CZ 4.24Å; Y8-F21 HydrophobicContact CG-CE2 4.09Å; Y8-F21 AromaticContact CG-CZ 3.8Å; Y8-F21 HydrophobicContact CG-CZ 3.8Å; T9-F21 WeakPolarHBondContact O-CA 3.27Å; A10-F21 HydrophobicContact CB-CD2 4.19Å; F21-A23 HydrophobicContact CE1-CB 3.84Å; F21-A23 HydrophobicContact CZ-CB 4.1Å; F21-F35 AromaticContact CD1-CD1 3.82Å; F21-F35 HydrophobicContact CD1-CD1 3.82Å; F21-F35 AromaticContact CD1-CE1 3.9Å; F21-F35 HydrophobicContact CD1-CE1 3.9Å; F21-F35 HydrophobicContact CE1-CD1 4.11Å; F21-F35 HydrophobicContact CE1-CE1 4.46Å; F21-S37 PolarHBondContact N-OG 2.98Å; F21-S37 PolarHBondContact O-N 2.88Å; F21-S37 PolarHBondContact O-OG 2.65Å; F21-F66 HydrophobicContact CE1-CB 4.24Å; F21-F66 HydrophobicContact CE1-CD1 4.1Å; F21-F66 HydrophobicContact CZ-CD1 4.49Å; F21-N69 HydrophobicContact CE1-CB 4.23Å; F21-N69 HydrophobicContact CE2-CB 4.18Å; F21-N69 HydrophobicContact CZ-CB 3.75Å; F21-T70 HydrophobicContact CB-CG2 3.94Å; F21-T70 WeakPolarHBondContact CD1-OG1 3.47Å; F21-Y73 HydrophobicContact CD2-CD2 4.32Å; F21-Y73 HydrophobicContact CD2-CG 4.2Å; F21-Y73 AromaticContact CE2-CD2 3.81Å; F21-Y73 HydrophobicContact CE2-CD2 3.81Å; F21-Y73 HydrophobicContact CE2-CE2 4.06Å; F21-Y73 HydrophobicContact CE2-CG 4.06Å
22I98.8Very high97.4Very high47 Ų4747 Ų4724%0.24126%0.257CS..EExtended strand (participates in β ladder)trans-122.8134.5175.5-57.5174.2000107.6Y8 T9 R20 V24 F35Y8-I22 CarbonylContact C-O 3.53Å; Y8-I22 WeakPolarHBondContact CA-O 3.32Å; T9-I22 PolarHBondContact N-O 3.14Å; T9-I22 PolarHBondContact O-N 3.31Å; R20-I22 HydrophobicContact CG-CG1 4.25Å; I22-V24 HydrophobicContact CG2-CG1 4.46Å; I22-F35 WeakPolarHBondContact CA-O 3.22Å
23A98.8Very high97.5Very high1 Ų146.4 Ų46.41%0.00825%0.253CS..EExtended strand (participates in β ladder)trans-127.6137.7170.200000110F7 Y8 F21 R34 F35 F66F7-A23 WeakPolarHBondContact O-CA 3.48Å; Y8-A23 HydrophobicContact CD1-CB 3.44Å; Y8-A23 VanDerWaalsContact CD1-CB 3.44Å; Y8-A23 HydrophobicContact CE1-CB 3.63Å; Y8-A23 HydrophobicContact CG-CB 4.35Å; F21-A23 HydrophobicContact CE1-CB 3.84Å; F21-A23 HydrophobicContact CZ-CB 4.1Å; A23-R34 CarbonylContact O-C 3.59Å; A23-R34 WeakPolarHBondContact O-CA 3.37Å; A23-F35 HydrophobicContact CB-CB 4.3Å; A23-F35 PolarHBondContact N-O 2.85Å; A23-F35 PolarHBondContact O-N 2.92Å; A23-F66 HydrophobicContact CB-CD1 3.67Å; A23-F66 HydrophobicContact CB-CE1 3.51Å; A23-F66 HydrophobicContact CB-CG 4.4Å; A23-F66 HydrophobicContact CB-CZ 4.11Å
24V98.9Very high97.6Very high30 Ų3047.2 Ų47.218%0.18226%0.256CS..EExtended strand (participates in β ladder)trans-131.8143.2172.3-63.40000109.7Y6 F7 I22 Y26 Q31 V33 R34Y6-V24 WeakPolarHBondContact CA-O 3.44Å; F7-V24 HydrophobicContact CB-CG2 3.85Å; F7-V24 HydrophobicContact CD2-CG2 4.31Å; F7-V24 PolarHBondContact N-O 2.86Å; F7-V24 PolarHBondContact O-N 3.25Å; I22-V24 HydrophobicContact CG2-CG1 4.46Å; V24-Y26 HydrophobicContact CB-CE2 4.11Å; V24-Y26 HydrophobicContact CG2-CD2 4.28Å; V24-Y26 HydrophobicContact CG2-CE2 3.79Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.3Å; V24-V33 WeakPolarHBondContact CA-O 3.46Å; V24-R34 HydrophobicContact CG1-CB 4.47Å; V24-R34 HydrophobicContact CG1-CG 4.28Å
25G98.8Very high97.8Very high0 Ų044.5 Ų44.50%024%0.238CC..EExtended strand (participates in β ladder)trans-116.3138.2176.500000110.5R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.55Å; R5-G25 WeakPolarHBondContact O-CA 3.5Å; G25-Q31 WeakPolarHBondContact O-CA 3.44Å; G25-F32 WeakPolarHBondContact O-CD1 3.32Å; G25-F32 PolarHBondContact O-N 3.4Å; G25-V33 PolarHBondContact N-O 3.01Å; G25-V33 VanDerWaalsContact N-O 3.1Å
26Y98.9Very high98Very high69 Ų6940.8 Ų40.827%0.27120%0.197SC..EExtended strand (participates in β ladder)trans-126.1141.9178.3-78.5-101.5000110.8M4 R5 F7 V24 T30 Q31 F32M4-Y26 CarbonylContact C-O 3.53Å; M4-Y26 WeakPolarHBondContact CA-O 3.34Å; R5-Y26 PolarHBondContact N-O 3.46Å; R5-Y26 PolarHBondContact O-N 3.09Å; F7-Y26 HydrophobicContact CD2-CD2 4.01Å; F7-Y26 HydrophobicContact CE2-CD2 4.02Å; F7-Y26 HydrophobicContact CE2-CG 4.48Å; V24-Y26 HydrophobicContact CB-CE2 4.11Å; V24-Y26 HydrophobicContact CG2-CD2 4.28Å; V24-Y26 HydrophobicContact CG2-CE2 3.79Å; Y26-T30 WeakPolarHBondContact CA-O 3.49Å; Y26-Q31 HydrophobicContact CD1-CB 4.09Å; Y26-Q31 HydrophobicContact CD2-CG 4.37Å; Y26-Q31 HydrophobicContact CE1-CB 3.58Å; Y26-Q31 HydrophobicContact CE1-CG 4.33Å; Y26-Q31 HydrophobicContact CE2-CB 4.05Å; Y26-Q31 HydrophobicContact CE2-CG 3.87Å; Y26-F32 VanDerWaalsContact N-CE1 3.32Å
27V98.8Very high98.2Very high0 Ų032.1 Ų32.10%017%0.168CC..EExtended strand (participates in β ladder)trans-110.7118156.4176.80000106.2S3 M4 D29 T30 F32 W50 L167 H170 L171 L178S3-V27 CarbonylContact O-C 3.51Å; S3-V27 VanDerWaalsContact O-CA 3.3Å; S3-V27 WeakPolarHBondContact O-CA 3.23Å; M4-V27 HydrophobicContact CG-CG2 4.26Å; V27-D29 PolarHBondContact O-N 2.92Å; V27-T30 PolarHBondContact N-O 3.12Å; V27-T30 WeakPolarHBondContact O-CB 3.49Å; V27-T30 PolarHBondContact O-N 3.23Å; V27-F32 HydrophobicContact CG2-CD1 4.07Å; V27-F32 HydrophobicContact CG2-CE1 4.08Å; V27-W50 HydrophobicContact CB-CH2 4.48Å; V27-W50 HydrophobicContact CG2-CH2 3.92Å; V27-W50 HydrophobicContact CG2-CZ2 4.43Å; V27-L167 HydrophobicContact CG1-CD1 3.64Å; V27-L167 HydrophobicContact CG2-CD1 4.26Å; V27-H170 HydrophobicContact CG2-CB 4.09Å; V27-L171 HydrophobicContact CG1-CD2 4.12Å; V27-L178 HydrophobicContact CB-CD1 4.3Å; V27-L178 HydrophobicContact CB-CD2 4.18Å; V27-L178 HydrophobicContact CG1-CD1 3.94Å; V27-L178 HydrophobicContact CG1-CD2 4.1Å
28D98.4Very high98.4Very high31 Ų3132.5 Ų32.517%0.16616%0.157CC..THydrogen-bonded Turntrans48.1-125.2-166.2-51.2-42.2000110.6H2 S3 T30H2-D28 VanDerWaalsContact CA-OD1 3.22Å; H2-D28 WeakPolarHBondContact CA-OD1 3.32Å; H2-D28 IonicContact CE1-OD2 3.85Å; H2-D28 IonicContact CG-OD2 3.26Å; H2-D28 IonicContact ND1-OD1 2.95Å; H2-D28 IonicContact ND1-OD2 2.84Å; H2-D28 PolarHBondContact ND1-OD2 3.11Å; S3-D28 PolarHBondContact N-OD1 3.29Å; S3-D28 PolarHBondContact O-N 2.78Å; D28-T30 VanDerWaalsContact C-N 3.33Å
29D98.4Very high98.5Very high64 Ų6430 Ų3034%0.34215%0.151SC..THydrogen-bonded Turntrans-92.112.5178.5-62.4-49.2000113.6V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 2.92Å; D29-Y208 HydrophobicContact CB-CE2 3.8Å; D29-P209 WeakPolarHBondContact OD2-CB 3.39Å; D29-A210 WeakPolarHBondContact OD2-CB 3.36Å; D29-A210 PolarHBondContact OD2-N 3.19Å; D29-F240 HydrophobicContact CB-CE2 3.81Å; D29-F240 HydrophobicContact CB-CZ 3.79Å
30T98.6Very high98.5Very high14 Ų1434.5 Ų34.59%0.08619%0.19CC..EExtended strand (participates in β ladder)trans-107.2111.9-178.1-58.20000111.4Y26 V27 D28 F32 L178 Y208 R238Y26-T30 WeakPolarHBondContact CA-O 3.49Å; V27-T30 PolarHBondContact N-O 3.12Å; V27-T30 WeakPolarHBondContact O-CB 3.49Å; V27-T30 PolarHBondContact O-N 3.23Å; D28-T30 VanDerWaalsContact C-N 3.33Å; T30-F32 PolarHBondContact O-N 3Å; T30-L178 HydrophobicContact CG2-CD2 4.07Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.23Å; T30-Y208 PolarHBondContact OG1-OH 3.11Å; T30-R238 PolarHBondContact OG1-NE 3.01Å
31Q98.6Very high98.5Very high54 Ų5434.5 Ų34.525%0.25220%0.201SC..EExtended strand (participates in β ladder)trans-67.3131.3172.8-167.7-180-4.600110.5V24 G25 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.3Å; G25-Q31 WeakPolarHBondContact O-CA 3.44Å; Y26-Q31 HydrophobicContact CD1-CB 4.09Å; Y26-Q31 HydrophobicContact CD2-CG 4.37Å; Y26-Q31 HydrophobicContact CE1-CB 3.58Å; Y26-Q31 HydrophobicContact CE1-CG 4.33Å; Y26-Q31 HydrophobicContact CE2-CB 4.05Å; Y26-Q31 HydrophobicContact CE2-CG 3.87Å; Q31-V33 PolarHBondContact NE2-O 3.28Å; Q31-R47 HydrophobicContact CG-CB 4.12Å; Q31-R47 HydrophobicContact CG-CG 4.38Å; Q31-R47 CarbonylContact O-C 3.59Å
32F98.7Very high98.4Very high0 Ų035.9 Ų35.90%021%0.21CC..EExtended strand (participates in β ladder)trans-121.4-23-179.574.3-84.5000114.8M4 Y6 G25 Y26 V27 T30 R47 A48 W50 I51 H170M4-F32 HydrophobicContact CG-CE1 4.33Å; M4-F32 HydrophobicContact CG-CZ 4.46Å; M4-F32 HydrophobicContact SD-CZ 4.21Å; Y6-F32 HydrophobicContact CE1-CZ 4.16Å; Y6-F32 AromaticContact CZ-CZ 3.81Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.49Å; G25-F32 WeakPolarHBondContact O-CD1 3.32Å; G25-F32 PolarHBondContact O-N 3.4Å; Y26-F32 VanDerWaalsContact N-CE1 3.32Å; V27-F32 HydrophobicContact CG2-CD1 4.07Å; V27-F32 HydrophobicContact CG2-CE1 4.08Å; T30-F32 PolarHBondContact O-N 3Å; F32-R47 PolarHBondContact O-N 3.36Å; F32-A48 HydrophobicContact CB-CB 4.12Å; F32-W50 HydrophobicContact CB-CH2 3.12Å; F32-W50 HydrophobicContact CB-CZ2 3.36Å; F32-W50 HydrophobicContact CB-CZ3 3.93Å; F32-W50 HydrophobicContact CD1-CH2 4.01Å; F32-W50 AromaticContact CD2-CH2 3.8Å; F32-W50 HydrophobicContact CD2-CH2 3.8Å; F32-W50 HydrophobicContact CD2-CZ3 4.06Å; F32-W50 AromaticContact CG-CH2 3.41Å; F32-W50 HydrophobicContact CG-CH2 3.41Å; F32-W50 VanDerWaalsContact CG-CH2 3.41Å; F32-W50 HydrophobicContact CG-CZ2 4.11Å; F32-W50 HydrophobicContact CG-CZ3 4.13Å; F32-I51 HydrophobicContact CD2-CB 4.47Å; F32-I51 HydrophobicContact CD2-CD1 3.99Å; F32-I51 HydrophobicContact CD2-CG1 4.06Å; F32-I51 HydrophobicContact CE2-CD1 4.34Å; F32-I51 VanDerWaalsContact O-CG2 3.28Å; F32-I51 WeakPolarHBondContact O-CG2 3.34Å; F32-H170 AromaticContact CE2-NE2 3.73Å
33V98.8Very high98.4Very high2 Ų240.8 Ų40.81%0.01223%0.226CC..EExtended strand (participates in β ladder)trans-140.1156.1175.5-71.70000112.8Y6 V24 G25 Q31 T44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 3.95Å; V24-V33 WeakPolarHBondContact CA-O 3.46Å; G25-V33 PolarHBondContact N-O 3.01Å; G25-V33 VanDerWaalsContact N-O 3.1Å; Q31-V33 PolarHBondContact NE2-O 3.28Å; V33-T44 HydrophobicContact CB-CG2 3.99Å; V33-T44 HydrophobicContact CG1-CG2 4Å; V33-E45 WeakPolarHBondContact CA-O 3.44Å; V33-I51 HydrophobicContact CG1-CG1 4.36Å; V33-W59 HydrophobicContact CG1-CH2 4.19Å; V33-W59 HydrophobicContact CG1-CZ3 3.91Å
34R98.7Very high98.4Very high85 Ų8541.1 Ų41.132%0.32123%0.228SC..EExtended strand (participates in β ladder)trans-139.8147169.3178.9175.6170.9-179.7-3.6110.9A23 V24 D36 T44 E45 R47A23-R34 CarbonylContact O-C 3.59Å; A23-R34 WeakPolarHBondContact O-CA 3.37Å; V24-R34 HydrophobicContact CG1-CB 4.47Å; V24-R34 HydrophobicContact CG1-CG 4.28Å; R34-D36 IonicContact CZ-OD2 2.9Å; R34-D36 IonicContact NH2-OD2 3.59Å; R34-D36 PolarHBondContact NH2-OD2 3.24Å; R34-T44 CarbonylContact O-C 3.58Å; R34-T44 WeakPolarHBondContact O-CA 3.49Å; R34-E45 PolarHBondContact N-O 3.26Å; R34-E45 PolarHBondContact O-N 3.34Å; R34-R47 HydrophobicContact CB-CG 4.02Å
35F98.8Very high98.4Very high1 Ų143 Ų430%0.00423%0.234CC..EExtended strand (participates in β ladder)trans-133.2142162.9177.7-83.6000109.1F21 I22 A23 P42 R43 F66 K67F21-F35 AromaticContact CD1-CD1 3.82Å; F21-F35 HydrophobicContact CD1-CD1 3.82Å; F21-F35 AromaticContact CD1-CE1 3.9Å; F21-F35 HydrophobicContact CD1-CE1 3.9Å; F21-F35 HydrophobicContact CE1-CD1 4.11Å; F21-F35 HydrophobicContact CE1-CE1 4.46Å; I22-F35 WeakPolarHBondContact CA-O 3.22Å; A23-F35 HydrophobicContact CB-CB 4.3Å; A23-F35 PolarHBondContact N-O 2.85Å; A23-F35 PolarHBondContact O-N 2.92Å; F35-P42 HydrophobicContact CE2-CB 3.92Å; F35-P42 HydrophobicContact CZ-CB 3.71Å; F35-R43 WeakPolarHBondContact CD2-O 3.34Å; F35-F66 HydrophobicContact CB-CB 4.08Å; F35-F66 HydrophobicContact CB-CD2 3.59Å; F35-F66 HydrophobicContact CB-CE2 4.15Å; F35-F66 HydrophobicContact CB-CG 3.85Å; F35-F66 HydrophobicContact CD1-CB 3.7Å; F35-F66 HydrophobicContact CD1-CG 4.33Å; F35-F66 HydrophobicContact CD2-CB 3.54Å; F35-F66 AromaticContact CD2-CD2 3.93Å; F35-F66 HydrophobicContact CD2-CD2 3.93Å; F35-F66 HydrophobicContact CD2-CG 4.11Å; F35-F66 HydrophobicContact CE1-CB 3.95Å; F35-F66 HydrophobicContact CE2-CB 3.8Å; F35-F66 HydrophobicContact CG-CB 3.49Å; F35-F66 VanDerWaalsContact CG-CB 3.49Å; F35-F66 AromaticContact CG-CD2 3.88Å; F35-F66 HydrophobicContact CG-CD2 3.88Å; F35-F66 AromaticContact CG-CG 3.85Å; F35-F66 HydrophobicContact CG-CG 3.85Å; F35-F66 HydrophobicContact CZ-CB 4Å; F35-K67 HydrophobicContact CE2-CG 4.25Å; F35-K67 HydrophobicContact CZ-CG 4.06Å
36D98.8Very high98.4Very high12 Ų1245.2 Ų45.26%0.06425%0.249CC..EExtended strand (participates in β ladder)trans-140.7119.3177.5-163.6-25.5000109.7R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.24Å; R20-D36 IonicContact CZ-OD2 2.69Å; R20-D36 IonicContact NE-OD1 2.74Å; R20-D36 PolarHBondContact NE-OD1 3.46Å; R20-D36 IonicContact NE-OD2 3.76Å; R20-D36 IonicContact NH2-OD1 3.18Å; R20-D36 PolarHBondContact NH2-OD1 3.04Å; R20-D36 IonicContact NH2-OD2 3.84Å; R20-D36 PolarHBondContact NH2-OD2 3.05Å; R34-D36 IonicContact CZ-OD2 2.9Å; R34-D36 IonicContact NH2-OD2 3.59Å; R34-D36 PolarHBondContact NH2-OD2 3.24Å; D36-D38 PolarHBondContact O-N 3.48Å; D36-D38 PolarHBondContact OD1-N 2.95Å; D36-D38 VanDerWaalsContact OD1-N 3.17Å; D36-A39 HydrophobicContact CB-CB 4.48Å; D36-A39 WeakPolarHBondContact O-CB 3.06Å; D36-A39 PolarHBondContact O-N 2.73Å
37S98.4Very high98.3Very high26 Ų2647.4 Ų47.418%0.18226%0.257CS..THydrogen-bonded Turntrans-66-20.6-17968.70000113.4R20 F21 P42R20-S37 WeakPolarHBondContact CA-OG 3.48Å; F21-S37 PolarHBondContact N-OG 2.98Å; F21-S37 PolarHBondContact O-N 2.88Å; F21-S37 PolarHBondContact O-OG 2.65Å; S37-P42 WeakPolarHBondContact O-CG 2.96Å
38D98Very high98.3Very high66 Ų6647.6 Ų47.635%0.35326%0.258SS..THydrogen-bonded Turntrans-88.5-3.4179.6-78.27.5000113R13 R20 D36R13-D38 IonicContact CZ-OD1 2.76Å; R13-D38 IonicContact CZ-OD2 3.5Å; R13-D38 IonicContact NH1-OD1 3.61Å; R13-D38 IonicContact NH1-OD2 2.63Å; R13-D38 PolarHBondContact NH1-OD2 2.87Å; R13-D38 IonicContact NH2-OD1 3.12Å; R13-D38 PolarHBondContact NH2-OD1 3.35Å; R13-D38 IonicContact NH2-OD2 3.15Å; R13-D38 PolarHBondContact NH2-OD2 2.86Å; R20-D38 WeakPolarHBondContact CD-OD2 3.34Å; R20-D38 HydrophobicContact CG-CB 4.33Å; R20-D38 IonicContact NE-OD2 2.63Å; D36-D38 PolarHBondContact O-N 3.48Å; D36-D38 PolarHBondContact OD1-N 2.95Å; D36-D38 VanDerWaalsContact OD1-N 3.17Å
39A97.7Very high98.3Very high33 Ų3351.1 Ų51.127%0.27328%0.283SS..SBendtrans-62.3149.817300000110.7D36 S41 P42D36-A39 HydrophobicContact CB-CB 4.48Å; D36-A39 WeakPolarHBondContact O-CB 3.06Å; D36-A39 PolarHBondContact O-N 2.73Å; A39-S41 PolarHBondContact O-N 2.91Å; A39-P42 WeakPolarHBondContact O-CD 3.48Å; A39-P42 VanDerWaalsContact O-CG 3.29Å; A39-P42 WeakPolarHBondContact O-CG 3.33Å
40A97.5Very high98.2Very high115 Ų11548.9 Ų48.995%0.9527%0.27SS*.SBendtrans-58.6-32.6179.500000112.9
41S97.3Very high98.2Very high72 Ų7248.2 Ų48.250%0.50327%0.265SS..SBendtrans-134.287.3172-174.20000108.8A39 R43A39-S41 PolarHBondContact O-N 2.91Å; S41-R43 PolarHBondContact O-N 3.05Å; S41-R43 VanDerWaalsContact O-N 3.08Å
42P97.8Very high98.1Very high32 Ų3251.6 Ų51.621%0.20828%0.281CS..  trans-61.2114.4-174.1-2636.3000112F35 S37 A39 K67F35-P42 HydrophobicContact CE2-CB 3.92Å; F35-P42 HydrophobicContact CZ-CB 3.71Å; S37-P42 WeakPolarHBondContact O-CG 2.96Å; A39-P42 WeakPolarHBondContact O-CD 3.48Å; A39-P42 VanDerWaalsContact O-CG 3.29Å; A39-P42 WeakPolarHBondContact O-CG 3.33Å; P42-K67 VanDerWaalsContact O-CE 3.25Å; P42-K67 WeakPolarHBondContact O-CE 3.34Å
43R98.3Very high98Very high149 Ų14957 Ų5756%0.56231%0.307SS*.  trans-142.8159.8178.8-66.7-173.1177.8-172.4-4.6110F35 S41 T63F35-R43 WeakPolarHBondContact CD2-O 3.34Å; S41-R43 PolarHBondContact O-N 3.05Å; S41-R43 VanDerWaalsContact O-N 3.08Å; R43-T63 HydrophobicContact CB-CG2 4.38Å; R43-T63 HydrophobicContact CG-CG2 4.21Å
44T98.4Very high98Very high8 Ų857.7 Ų57.75%0.04931%0.31CS..  trans-73.5126.1167.6-46.80000108.2V33 R34 W59 N62 T63 F66V33-T44 HydrophobicContact CB-CG2 3.99Å; V33-T44 HydrophobicContact CG1-CG2 4Å; R34-T44 CarbonylContact O-C 3.58Å; R34-T44 WeakPolarHBondContact O-CA 3.49Å; T44-W59 HydrophobicContact CG2-CE3 4.06Å; T44-W59 HydrophobicContact CG2-CZ3 3.93Å; T44-N62 HydrophobicContact CG2-CB 4.28Å; T44-N62 VanDerWaalsContact OG1-C 3.28Å; T44-T63 PolarHBondContact N-OG1 3.22Å; T44-T63 WeakPolarHBondContact OG1-CA 3.49Å; T44-T63 PolarHBondContact OG1-N 2.9Å; T44-T63 VanDerWaalsContact OG1-N 3.09Å; T44-T63 PolarHBondContact OG1-OG1 3.49Å; T44-F66 HydrophobicContact CG2-CD2 4.31Å; T44-F66 HydrophobicContact CG2-CE2 3.76Å; T44-F66 VanDerWaalsContact OG1-CD2 3.24Å; T44-F66 WeakPolarHBondContact OG1-CD2 3.33Å; T44-F66 WeakPolarHBondContact OG1-CE2 3.45Å
45E98.4Very high97.9Very high69 Ų6955 Ų5532%0.32231%0.309SS..EExtended strand (participates in β ladder)trans-115.3139.5-176.1-63.6174158.700110.3V33 R34 R47V33-E45 WeakPolarHBondContact CA-O 3.44Å; R34-E45 PolarHBondContact N-O 3.26Å; R34-E45 PolarHBondContact O-N 3.34Å; E45-R47 IonicContact OE2-CZ 2.97Å; E45-R47 IonicContact OE2-NH2 3.74Å; E45-R47 PolarHBondContact OE2-NH2 2.84Å
46P98.5Very high97.9Very high47 Ų4759 Ų5931%0.30533%0.334SS..EExtended strand (participates in β ladder)trans-66.9145.2173.128.5-34000111.2I51 E52 W59P46-I51 HydrophobicContact CB-CG2 3.73Å; P46-E52 HydrophobicContact CB-CG 3.76Å; P46-E52 HydrophobicContact CG-CG 4.09Å; P46-W59 HydrophobicContact CB-CH2 3.66Å; P46-W59 HydrophobicContact CB-CZ2 4.1Å; P46-W59 HydrophobicContact CB-CZ3 4.46Å; P46-W59 HydrophobicContact CG-CH2 4.29Å
47R98.4Very high97.8Very high115 Ų11565.2 Ų65.243%0.43436%0.363SS..  trans-130.10.2174.3-61.2-64.5174.6-146.68.4113.5Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.12Å; Q31-R47 HydrophobicContact CG-CG 4.38Å; Q31-R47 CarbonylContact O-C 3.59Å; F32-R47 PolarHBondContact O-N 3.36Å; R34-R47 HydrophobicContact CB-CG 4.02Å; E45-R47 IonicContact OE2-CZ 2.97Å; E45-R47 IonicContact OE2-NH2 3.74Å; E45-R47 PolarHBondContact OE2-NH2 2.84Å
48A97.7Very high97.8Very high4 Ų464.9 Ų64.93%0.03336%0.358CS..SBendtrans-138.9144.917300000110.5F32 W50 I51F32-A48 HydrophobicContact CB-CB 4.12Å; A48-W50 VanDerWaalsContact C-N 3.3Å; A48-W50 HydrophobicContact CB-CD2 4.19Å; A48-W50 HydrophobicContact CB-CG 4.4Å; A48-W50 HydrophobicContact CB-CZ2 4Å; A48-W50 PolarHBondContact O-N 3.31Å; A48-I51 WeakPolarHBondContact O-CG2 3.43Å; A48-I51 PolarHBondContact O-N 2.9Å
49P97.8Very high97.8Very high105 Ų10563.7 Ų63.768%0.68235%0.349SS*.G310 helixtrans-59-38.2-176.9-26.434.8000113.9I51 E52P49-I51 PolarHBondContact O-N 3.07Å; P49-E52 WeakPolarHBondContact O-CB 3.41Å; P49-E52 PolarHBondContact O-N 2.83Å; P49-E52 VanDerWaalsContact O-N 3.11Å
50W97.8Very high97.9Very high17 Ų1767 Ų676%0.06436%0.362CS..G310 helixtrans-69.9-13.4-175.653.4-105.8000114.5V27 F32 A48 Q53 H170 N173 L178V27-W50 HydrophobicContact CB-CH2 4.48Å; V27-W50 HydrophobicContact CG2-CH2 3.92Å; V27-W50 HydrophobicContact CG2-CZ2 4.43Å; F32-W50 HydrophobicContact CB-CH2 3.12Å; F32-W50 HydrophobicContact CB-CZ2 3.36Å; F32-W50 HydrophobicContact CB-CZ3 3.93Å; F32-W50 HydrophobicContact CD1-CH2 4.01Å; F32-W50 AromaticContact CD2-CH2 3.8Å; F32-W50 HydrophobicContact CD2-CH2 3.8Å; F32-W50 HydrophobicContact CD2-CZ3 4.06Å; F32-W50 AromaticContact CG-CH2 3.41Å; F32-W50 HydrophobicContact CG-CH2 3.41Å; F32-W50 VanDerWaalsContact CG-CH2 3.41Å; F32-W50 HydrophobicContact CG-CZ2 4.11Å; F32-W50 HydrophobicContact CG-CZ3 4.13Å; A48-W50 VanDerWaalsContact C-N 3.3Å; A48-W50 HydrophobicContact CB-CD2 4.19Å; A48-W50 HydrophobicContact CB-CG 4.4Å; A48-W50 HydrophobicContact CB-CZ2 4Å; A48-W50 PolarHBondContact O-N 3.31Å; W50-Q53 WeakPolarHBondContact O-CG 3.27Å; W50-H170 HydrophobicContact CE3-CB 4.31Å; W50-H170 HydrophobicContact CH2-CB 3.98Å; W50-H170 HydrophobicContact CZ3-CB 3.63Å; W50-H170 AromaticContact CZ3-CG 3.51Å; W50-H170 AromaticContact CZ3-ND1 3.59Å; W50-N173 HydrophobicContact CB-CB 4.41Å; W50-L178 HydrophobicContact CD2-CD1 4.41Å; W50-L178 HydrophobicContact CH2-CD1 4.39Å; W50-L178 HydrophobicContact CZ2-CD1 3.83Å; W50-L178 HydrophobicContact CZ2-CD2 4.21Å; W50-L178 HydrophobicContact CZ2-CG 4.45Å
51I98.2Very high97.9Very high0 Ų068.7 Ų68.70%034%0.344CS..G310 helixtrans-89.4-19.4173.6-16371.2000111.8F32 V33 P46 A48 P49 Q53 E54 Y58 W59 H170F32-I51 HydrophobicContact CD2-CB 4.47Å; F32-I51 HydrophobicContact CD2-CD1 3.99Å; F32-I51 HydrophobicContact CD2-CG1 4.06Å; F32-I51 HydrophobicContact CE2-CD1 4.34Å; F32-I51 VanDerWaalsContact O-CG2 3.28Å; F32-I51 WeakPolarHBondContact O-CG2 3.34Å; V33-I51 HydrophobicContact CG1-CG1 4.36Å; P46-I51 HydrophobicContact CB-CG2 3.73Å; A48-I51 WeakPolarHBondContact O-CG2 3.43Å; A48-I51 PolarHBondContact O-N 2.9Å; P49-I51 PolarHBondContact O-N 3.07Å; I51-Q53 PolarHBondContact O-N 2.89Å; I51-Q53 VanDerWaalsContact O-N 3.16Å; I51-E54 HydrophobicContact CD1-CG 3.66Å; I51-E54 HydrophobicContact CG1-CG 4.18Å; I51-E54 WeakPolarHBondContact O-CB 3.44Å; I51-E54 WeakPolarHBondContact O-CG 3.39Å; I51-E54 PolarHBondContact O-N 3.4Å; I51-Y58 HydrophobicContact CD1-CE1 4.17Å; I51-Y58 HydrophobicContact CG1-CE1 4.16Å; I51-W59 HydrophobicContact CB-CH2 4.43Å; I51-W59 HydrophobicContact CG1-CH2 3.77Å; I51-W59 HydrophobicContact CG1-CZ2 4.1Å; I51-W59 HydrophobicContact CG2-CH2 3.95Å; I51-W59 HydrophobicContact CG2-CZ2 4.43Å; I51-W59 WeakPolarHBondContact O-CZ2 3.47Å; I51-H170 WeakPolarHBondContact CD1-CE1 3.43Å
52E97.2Very high97.9Very high125 Ų12566.3 Ų66.358%0.58433%0.325SS*.THydrogen-bonded Turntrans-64.4-22.9-175.9-64.9-179.9-174.300113.3P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.76Å; P46-E52 HydrophobicContact CG-CG 4.09Å; P49-E52 WeakPolarHBondContact O-CB 3.41Å; P49-E52 PolarHBondContact O-N 2.83Å; P49-E52 VanDerWaalsContact O-N 3.11Å; E52-E54 PolarHBondContact O-N 3.27Å
53Q96.6Very high97.9Very high115 Ų11565.4 Ų65.454%0.53732%0.319SS..THydrogen-bonded Turntrans-72.7-10.6175.666.7177.118.300114.3W50 I51 N173W50-Q53 WeakPolarHBondContact O-CG 3.27Å; I51-Q53 PolarHBondContact O-N 2.89Å; I51-Q53 VanDerWaalsContact O-N 3.16Å; Q53-N173 VanDerWaalsContact NE2-CB 3.34Å; Q53-N173 PolarHBondContact NE2-ND2 3.31Å; Q53-N173 PolarHBondContact NE2-OD1 3.44Å; Q53-N173 VanDerWaalsContact NE2-OD1 3.09Å
54E97.9Very high98Very high15 Ų1563.6 Ų63.67%0.0732%0.317CS..SBendtrans-67137.7175.2-62.9-59.7162.900110.8I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.66Å; I51-E54 HydrophobicContact CG1-CG 4.18Å; I51-E54 WeakPolarHBondContact O-CB 3.44Å; I51-E54 WeakPolarHBondContact O-CG 3.39Å; I51-E54 PolarHBondContact O-N 3.4Å; E52-E54 PolarHBondContact O-N 3.27Å; E54-Y58 HydrophobicContact CB-CD1 3.7Å; E54-Y58 HydrophobicContact CB-CD2 4.5Å; E54-Y58 HydrophobicContact CB-CE1 4.37Å; E54-Y58 HydrophobicContact CB-CG 3.79Å; E54-Y58 HydrophobicContact CG-CD1 4.15Å; E54-Y58 HydrophobicContact CG-CD2 4.43Å; E54-Y58 HydrophobicContact CG-CE1 4.41Å; E54-Y58 HydrophobicContact CG-CG 4.18Å; E54-W59 PolarHBondContact O-NE1 3.45Å; E54-R169 IonicContact OE1-CZ 2.73Å; E54-R169 IonicContact OE1-NE 3.4Å; E54-R169 PolarHBondContact OE1-NE 2.81Å; E54-R169 IonicContact OE1-NH2 3.61Å; E54-R169 PolarHBondContact OE1-NH2 3.09Å; E54-R169 IonicContact OE2-CZ 3.72Å; E54-R169 IonicContact OE2-NE 2.71Å; E54-R169 PolarHBondContact OE2-NE 3.24Å; E54-R169 IonicContact OE2-NH2 3.58Å; E54-R169 PolarHBondContact OE2-NH2 3.31Å; E54-N173 PolarHBondContact OE1-ND2 3.27Å
55G97.4Very high97.9Very high29 Ų2966.4 Ų66.430%0.29933%0.331SS..  trans-68167.2-176.600000114.1E57 Y58 W59G55-E57 PolarHBondContact O-N 3.21Å; G55-E57 VanDerWaalsContact O-N 3.15Å; G55-Y58 WeakPolarHBondContact O-CB 3.34Å; G55-Y58 PolarHBondContact O-N 3.12Å; G55-W59 VanDerWaalsContact O-CD1 3.22Å
56P97.7Very high97.9Very high84 Ų8463.2 Ų63.255%0.54532%0.316SS..Hα-helixtrans-56.5-32-179.323.7-32.9000113Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 3.03Å; P56-W59 PolarHBondContact O-N 3.47Å; P56-W59 VanDerWaalsContact O-N 3.16Å; P56-D60 WeakPolarHBondContact O-CB 3.48Å; P56-D60 PolarHBondContact O-N 3.17Å
57E97.8Very high97.9Very high143 Ų14365.2 Ų65.267%0.66832%0.32SS*.Hα-helixtrans-62-35.6178.6-58.778.7-172.500112.3G55 R61G55-E57 PolarHBondContact O-N 3.21Å; G55-E57 VanDerWaalsContact O-N 3.15Å; E57-R61 WeakPolarHBondContact O-CB 3.44Å; E57-R61 PolarHBondContact O-N 2.88Å
58Y97.8Very high97.9Very high20 Ų2063.3 Ų63.38%0.07832%0.321CS..Hα-helixtrans-64.9-47.9174.9172.6-91.9000110.7I51 E54 G55 P56 N62 W166I51-Y58 HydrophobicContact CD1-CE1 4.17Å; I51-Y58 HydrophobicContact CG1-CE1 4.16Å; E54-Y58 HydrophobicContact CB-CD1 3.7Å; E54-Y58 HydrophobicContact CB-CD2 4.5Å; E54-Y58 HydrophobicContact CB-CE1 4.37Å; E54-Y58 HydrophobicContact CB-CG 3.79Å; E54-Y58 HydrophobicContact CG-CD1 4.15Å; E54-Y58 HydrophobicContact CG-CD2 4.43Å; E54-Y58 HydrophobicContact CG-CE1 4.41Å; E54-Y58 HydrophobicContact CG-CG 4.18Å; G55-Y58 WeakPolarHBondContact O-CB 3.34Å; G55-Y58 PolarHBondContact O-N 3.12Å; P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 3.03Å; Y58-N62 WeakPolarHBondContact CD2-ND2 3.21Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.19Å; Y58-N62 WeakPolarHBondContact O-CB 3.41Å; Y58-N62 PolarHBondContact O-N 2.96Å; Y58-N62 PolarHBondContact O-ND2 3.12Å; Y58-W166 AromaticContact CD2-CH2 3.49Å; Y58-W166 HydrophobicContact CD2-CH2 3.49Å; Y58-W166 VanDerWaalsContact CD2-CH2 3.49Å; Y58-W166 AromaticContact CD2-CZ2 3.99Å; Y58-W166 HydrophobicContact CD2-CZ2 3.99Å; Y58-W166 AromaticContact CD2-CZ3 3.91Å; Y58-W166 HydrophobicContact CD2-CZ3 3.91Å; Y58-W166 HydrophobicContact CE2-CE3 4.28Å; Y58-W166 AromaticContact CE2-CH2 3.82Å; Y58-W166 HydrophobicContact CE2-CH2 3.82Å; Y58-W166 HydrophobicContact CE2-CZ2 4.25Å; Y58-W166 AromaticContact CE2-CZ3 3.83Å; Y58-W166 HydrophobicContact CE2-CZ3 3.83Å
59W98.4Very high97.9Very high40 Ų4064.3 Ų64.315%0.15233%0.326CS..Hα-helixtrans-67.3-42.5-177.5-62.6111.8000112.3V33 T44 P46 I51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.19Å; V33-W59 HydrophobicContact CG1-CZ3 3.91Å; T44-W59 HydrophobicContact CG2-CE3 4.06Å; T44-W59 HydrophobicContact CG2-CZ3 3.93Å; P46-W59 HydrophobicContact CB-CH2 3.66Å; P46-W59 HydrophobicContact CB-CZ2 4.1Å; P46-W59 HydrophobicContact CB-CZ3 4.46Å; P46-W59 HydrophobicContact CG-CH2 4.29Å; I51-W59 HydrophobicContact CB-CH2 4.43Å; I51-W59 HydrophobicContact CG1-CH2 3.77Å; I51-W59 HydrophobicContact CG1-CZ2 4.1Å; I51-W59 HydrophobicContact CG2-CH2 3.95Å; I51-W59 HydrophobicContact CG2-CZ2 4.43Å; I51-W59 WeakPolarHBondContact O-CZ2 3.47Å; E54-W59 PolarHBondContact O-NE1 3.45Å; G55-W59 VanDerWaalsContact O-CD1 3.22Å; P56-W59 PolarHBondContact O-N 3.47Å; P56-W59 VanDerWaalsContact O-N 3.16Å; W59-T63 WeakPolarHBondContact O-CB 3.49Å; W59-T63 PolarHBondContact O-N 3.2Å; W59-T63 PolarHBondContact O-OG1 3.09Å
60D98.4Very high97.9Very high104 Ų10460 Ų6056%0.55630%0.298SS*.Hα-helixtrans-66.6-45.5178.4-74.8-19.8000111.2P56 T63 Q64P56-D60 WeakPolarHBondContact O-CB 3.48Å; P56-D60 PolarHBondContact O-N 3.17Å; D60-T63 PolarHBondContact O-N 3.03Å; D60-Q64 PolarHBondContact O-N 3.22Å
61R97.9Very high97.9Very high150 Ų15063.3 Ų63.357%0.56631%0.314SS*.Hα-helixtrans-59.9-50.6176.8-179.1-179.3175.2-174.4-1.1111.6E57 T63 Q64 I65E57-R61 WeakPolarHBondContact O-CB 3.44Å; E57-R61 PolarHBondContact O-N 2.88Å; R61-T63 VanDerWaalsContact C-N 3.34Å; R61-T63 PolarHBondContact O-N 2.92Å; R61-Q64 PolarHBondContact O-N 3.18Å; R61-I65 HydrophobicContact CG-CD1 4.02Å; R61-I65 WeakPolarHBondContact O-CG1 3.2Å; R61-I65 PolarHBondContact O-N 2.6Å
62N97.9Very high97.8Very high22 Ų2266.2 Ų66.212%0.11833%0.332CS..Hα-helixtrans-66.3-38-179.4-78.5-71.7000111.9T44 Y58 Q64 I65 F66T44-N62 HydrophobicContact CG2-CB 4.28Å; T44-N62 VanDerWaalsContact OG1-C 3.28Å; Y58-N62 WeakPolarHBondContact CD2-ND2 3.21Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.19Å; Y58-N62 WeakPolarHBondContact O-CB 3.41Å; Y58-N62 PolarHBondContact O-N 2.96Å; Y58-N62 PolarHBondContact O-ND2 3.12Å; N62-Q64 VanDerWaalsContact C-N 3.31Å; N62-Q64 PolarHBondContact O-N 3.35Å; N62-I65 WeakPolarHBondContact O-CB 3.43Å; N62-I65 PolarHBondContact O-N 3.19Å; N62-F66 HydrophobicContact CB-CE2 4.31Å; N62-F66 WeakPolarHBondContact O-CD2 3.26Å; N62-F66 PolarHBondContact O-N 3.18Å
63T98.6Very high97.8Very high12 Ų1260.5 Ų60.57%0.07431%0.305CS..Hα-helixtrans-59.2-44.3174-66.30000111.2R43 T44 W59 D60 R61 F66 K67R43-T63 HydrophobicContact CB-CG2 4.38Å; R43-T63 HydrophobicContact CG-CG2 4.21Å; T44-T63 PolarHBondContact N-OG1 3.22Å; T44-T63 WeakPolarHBondContact OG1-CA 3.49Å; T44-T63 PolarHBondContact OG1-N 2.9Å; T44-T63 VanDerWaalsContact OG1-N 3.09Å; T44-T63 PolarHBondContact OG1-OG1 3.49Å; W59-T63 WeakPolarHBondContact O-CB 3.49Å; W59-T63 PolarHBondContact O-N 3.2Å; W59-T63 PolarHBondContact O-OG1 3.09Å; D60-T63 PolarHBondContact O-N 3.03Å; R61-T63 VanDerWaalsContact C-N 3.34Å; R61-T63 PolarHBondContact O-N 2.92Å; T63-F66 PolarHBondContact O-N 3.36Å; T63-K67 HydrophobicContact CG2-CD 4.21Å; T63-K67 WeakPolarHBondContact O-CG 3.49Å; T63-K67 PolarHBondContact O-N 3.33Å
64Q98.4Very high97.9Very high112 Ų11257.3 Ų57.352%0.52329%0.288SS..Hα-helixtrans-65.9-40.7177.6-170.558.42600111.8D60 R61 N62 F66 K67 T68D60-Q64 PolarHBondContact O-N 3.22Å; R61-Q64 PolarHBondContact O-N 3.18Å; N62-Q64 VanDerWaalsContact C-N 3.31Å; N62-Q64 PolarHBondContact O-N 3.35Å; Q64-F66 PolarHBondContact O-N 2.86Å; Q64-K67 PolarHBondContact O-N 2.89Å; Q64-T68 PolarHBondContact O-N 2.96Å; Q64-T68 PolarHBondContact O-OG1 2.86Å
65I97.9Very high97.8Very high66 Ų6662.2 Ų62.234%0.33831%0.311SS..Hα-helixtrans-57.5-48.1174.5-71166.1000110.9R61 N62 K67 T68 N69R61-I65 HydrophobicContact CG-CD1 4.02Å; R61-I65 WeakPolarHBondContact O-CG1 3.2Å; R61-I65 PolarHBondContact O-N 2.6Å; N62-I65 WeakPolarHBondContact O-CB 3.43Å; N62-I65 PolarHBondContact O-N 3.19Å; I65-K67 PolarHBondContact O-N 2.87Å; I65-T68 PolarHBondContact O-N 3.25Å; I65-N69 PolarHBondContact O-N 3.17Å; I65-N69 PolarHBondContact O-ND2 2.75Å; I65-N69 VanDerWaalsContact O-ND2 3.16Å
66F98.4Very high97.9Very high2 Ų262.7 Ų62.71%0.00931%0.31CS..Hα-helixtrans-68.9-33179.3-65.9-49.9000113.4Y6 Y8 F21 A23 F35 T44 N62 T63 Q64 N69 T70Y6-F66 HydrophobicContact CD1-CZ 4.42Å; Y6-F66 HydrophobicContact CE1-CZ 4.29Å; Y8-F66 HydrophobicContact CE1-CD1 4.29Å; Y8-F66 AromaticContact CE1-CE1 3.61Å; Y8-F66 HydrophobicContact CE1-CE1 3.61Å; Y8-F66 AromaticContact CZ-CE1 3.72Å; Y8-F66 WeakPolarHBondContact OH-CE1 3.39Å; F21-F66 HydrophobicContact CE1-CB 4.24Å; F21-F66 HydrophobicContact CE1-CD1 4.1Å; F21-F66 HydrophobicContact CZ-CD1 4.49Å; A23-F66 HydrophobicContact CB-CD1 3.67Å; A23-F66 HydrophobicContact CB-CE1 3.51Å; A23-F66 HydrophobicContact CB-CG 4.4Å; A23-F66 HydrophobicContact CB-CZ 4.11Å; F35-F66 HydrophobicContact CB-CB 4.08Å; F35-F66 HydrophobicContact CB-CD2 3.59Å; F35-F66 HydrophobicContact CB-CE2 4.15Å; F35-F66 HydrophobicContact CB-CG 3.85Å; F35-F66 HydrophobicContact CD1-CB 3.7Å; F35-F66 HydrophobicContact CD1-CG 4.33Å; F35-F66 HydrophobicContact CD2-CB 3.54Å; F35-F66 AromaticContact CD2-CD2 3.93Å; F35-F66 HydrophobicContact CD2-CD2 3.93Å; F35-F66 HydrophobicContact CD2-CG 4.11Å; F35-F66 HydrophobicContact CE1-CB 3.95Å; F35-F66 HydrophobicContact CE2-CB 3.8Å; F35-F66 HydrophobicContact CG-CB 3.49Å; F35-F66 VanDerWaalsContact CG-CB 3.49Å; F35-F66 AromaticContact CG-CD2 3.88Å; F35-F66 HydrophobicContact CG-CD2 3.88Å; F35-F66 AromaticContact CG-CG 3.85Å; F35-F66 HydrophobicContact CG-CG 3.85Å; F35-F66 HydrophobicContact CZ-CB 4Å; T44-F66 HydrophobicContact CG2-CD2 4.31Å; T44-F66 HydrophobicContact CG2-CE2 3.76Å; T44-F66 VanDerWaalsContact OG1-CD2 3.24Å; T44-F66 WeakPolarHBondContact OG1-CD2 3.33Å; T44-F66 WeakPolarHBondContact OG1-CE2 3.45Å; N62-F66 HydrophobicContact CB-CE2 4.31Å; N62-F66 WeakPolarHBondContact O-CD2 3.26Å; N62-F66 PolarHBondContact O-N 3.18Å; T63-F66 PolarHBondContact O-N 3.36Å; Q64-F66 PolarHBondContact O-N 2.86Å; F66-N69 PolarHBondContact O-N 2.8Å; F66-T70 PolarHBondContact O-N 2.88Å; F66-T70 PolarHBondContact O-OG1 3.26Å
67K98.1Very high97.9Very high89 Ų8959.1 Ų59.139%0.38729%0.286SS..Hα-helixtrans-64.3-43.3171.6-76.2179176.5179.80111.9F35 P42 T63 Q64 I65 T70 Q71F35-K67 HydrophobicContact CE2-CG 4.25Å; F35-K67 HydrophobicContact CZ-CG 4.06Å; P42-K67 VanDerWaalsContact O-CE 3.25Å; P42-K67 WeakPolarHBondContact O-CE 3.34Å; T63-K67 HydrophobicContact CG2-CD 4.21Å; T63-K67 WeakPolarHBondContact O-CG 3.49Å; T63-K67 PolarHBondContact O-N 3.33Å; Q64-K67 PolarHBondContact O-N 2.89Å; I65-K67 PolarHBondContact O-N 2.87Å; K67-T70 WeakPolarHBondContact O-CB 3.38Å; K67-T70 PolarHBondContact O-N 3.06Å; K67-Q71 PolarHBondContact O-N 2.87Å
68T98.1Very high97.9Very high76 Ų7658.7 Ų58.747%0.46628%0.278SS..Hα-helixtrans-63.8-41.8174-64.60000111.5Q64 I65 T70 Q71 T72Q64-T68 PolarHBondContact O-N 2.96Å; Q64-T68 PolarHBondContact O-OG1 2.86Å; I65-T68 PolarHBondContact O-N 3.25Å; T68-T70 VanDerWaalsContact C-N 3.32Å; T68-T70 PolarHBondContact O-N 2.71Å; T68-Q71 PolarHBondContact O-N 3.4Å; T68-T72 PolarHBondContact O-N 2.9Å; T68-T72 PolarHBondContact O-OG1 3.17Å
69N97.3Very high97.8Very high25 Ų2561.6 Ų61.613%0.13430%0.295CS..Hα-helixtrans-61.8-39.4174.1-80.7-49.7000111.8F21 I65 F66 Q71 T72 Y73F21-N69 HydrophobicContact CE1-CB 4.23Å; F21-N69 HydrophobicContact CE2-CB 4.18Å; F21-N69 HydrophobicContact CZ-CB 3.75Å; I65-N69 PolarHBondContact O-N 3.17Å; I65-N69 PolarHBondContact O-ND2 2.75Å; I65-N69 VanDerWaalsContact O-ND2 3.16Å; F66-N69 PolarHBondContact O-N 2.8Å; N69-Q71 PolarHBondContact O-N 2.86Å; N69-T72 PolarHBondContact O-N 2.83Å; N69-T72 VanDerWaalsContact O-N 3.08Å; N69-Y73 HydrophobicContact CB-CD2 4.31Å; N69-Y73 HydrophobicContact CB-CE2 4.41Å; N69-Y73 VanDerWaalsContact O-CD2 3.25Å; N69-Y73 WeakPolarHBondContact O-CD2 3.48Å; N69-Y73 PolarHBondContact O-N 3.45Å
70T97.5Very high97.8Very high14 Ų1460.1 Ų60.19%0.08629%0.291CS..Hα-helixtrans-54.7-40.7176.6-58.80000111.7F21 F66 K67 T68 R74F21-T70 HydrophobicContact CB-CG2 3.94Å; F21-T70 WeakPolarHBondContact CD1-OG1 3.47Å; F66-T70 PolarHBondContact O-N 2.88Å; F66-T70 PolarHBondContact O-OG1 3.26Å; K67-T70 WeakPolarHBondContact O-CB 3.38Å; K67-T70 PolarHBondContact O-N 3.06Å; T68-T70 VanDerWaalsContact C-N 3.32Å; T68-T70 PolarHBondContact O-N 2.71Å; T70-R74 WeakPolarHBondContact O-CB 3.42Å; T70-R74 PolarHBondContact O-N 2.78Å
71Q97.6Very high97.8Very high86 Ų8658.3 Ų58.340%0.40228%0.276SS..Hα-helixtrans-72-44.2175.1-58.3-51.6-4500112.3K67 T68 N69 Y73 R74 E75K67-Q71 PolarHBondContact O-N 2.87Å; T68-Q71 PolarHBondContact O-N 3.4Å; N69-Q71 PolarHBondContact O-N 2.86Å; Q71-Y73 VanDerWaalsContact C-N 3.31Å; Q71-Y73 PolarHBondContact O-N 3.33Å; Q71-R74 WeakPolarHBondContact O-CB 3.22Å; Q71-R74 PolarHBondContact O-N 2.98Å; Q71-R74 VanDerWaalsContact O-N 3.17Å; Q71-E75 PolarHBondContact O-N 3.18Å
72T97.5Very high97.7Very high62 Ų6253.2 Ų53.238%0.3827%0.27SS..Hα-helixtrans-58.6-42.4179.5-56.30000111.8T68 N69 E75 S76T68-T72 PolarHBondContact O-N 2.9Å; T68-T72 PolarHBondContact O-OG1 3.17Å; N69-T72 PolarHBondContact O-N 2.83Å; N69-T72 VanDerWaalsContact O-N 3.08Å; T72-E75 PolarHBondContact O-N 2.86Å; T72-S76 WeakPolarHBondContact O-CB 3.26Å; T72-S76 PolarHBondContact O-N 3.45Å; T72-S76 PolarHBondContact O-OG 3.39Å
73Y97.3Very high97.7Very high5 Ų554.7 Ų54.72%0.0227%0.274CS..Hα-helixtrans-74.1-30.5179.6-83.6-101.5000112.7Y8 A10 F21 N69 Q71 S76 L77 I94 R96 Y115Y8-Y73 AromaticContact CD2-CE2 3.98Å; Y8-Y73 HydrophobicContact CD2-CE2 3.98Å; Y8-Y73 AromaticContact CD2-CZ 3.91Å; Y8-Y73 WeakPolarHBondContact CD2-OH 3.33Å; A10-Y73 HydrophobicContact CB-CD1 3.63Å; A10-Y73 HydrophobicContact CB-CG 3.95Å; F21-Y73 HydrophobicContact CD2-CD2 4.32Å; F21-Y73 HydrophobicContact CD2-CG 4.2Å; F21-Y73 AromaticContact CE2-CD2 3.81Å; F21-Y73 HydrophobicContact CE2-CD2 3.81Å; F21-Y73 HydrophobicContact CE2-CE2 4.06Å; F21-Y73 HydrophobicContact CE2-CG 4.06Å; N69-Y73 HydrophobicContact CB-CD2 4.31Å; N69-Y73 HydrophobicContact CB-CE2 4.41Å; N69-Y73 VanDerWaalsContact O-CD2 3.25Å; N69-Y73 WeakPolarHBondContact O-CD2 3.48Å; N69-Y73 PolarHBondContact O-N 3.45Å; Q71-Y73 VanDerWaalsContact C-N 3.31Å; Q71-Y73 PolarHBondContact O-N 3.33Å; Y73-S76 PolarHBondContact O-N 3.25Å; Y73-L77 WeakPolarHBondContact O-CB 3.41Å; Y73-L77 WeakPolarHBondContact O-CG 3.47Å; Y73-L77 PolarHBondContact O-N 2.88Å; Y73-I94 HydrophobicContact CD1-CB 4.03Å; Y73-I94 HydrophobicContact CD1-CD1 4.32Å; Y73-I94 HydrophobicContact CD1-CG2 3.81Å; Y73-I94 HydrophobicContact CE1-CB 4.28Å; Y73-I94 HydrophobicContact CE1-CG2 3.62Å; Y73-R96 HydrophobicContact CE1-CB 4.48Å; Y73-R96 WeakPolarHBondContact OH-CB 3.23Å; Y73-R96 WeakPolarHBondContact OH-CD 3.12Å; Y73-Y115 HydrophobicContact CE1-CE1 4.32Å; Y73-Y115 VanDerWaalsContact OH-CE1 3.31Å; Y73-Y115 WeakPolarHBondContact OH-CE1 3.4Å
74R97.1Very high97.7Very high48 Ų4857.3 Ų57.318%0.18128%0.283CS..Hα-helixtrans-61.5-45.5170.7177.8-171.4-61.1179.4-10111.3E18 P19 T70 Q71 L77 R78E18-R74 VanDerWaalsContact CB-NH2 3.33Å; E18-R74 WeakPolarHBondContact OE2-CD 3.1Å; E18-R74 IonicContact OE2-CZ 3.61Å; E18-R74 VanDerWaalsContact OE2-CZ 3.29Å; E18-R74 IonicContact OE2-NE 3.36Å; E18-R74 PolarHBondContact OE2-NE 3.05Å; E18-R74 IonicContact OE2-NH1 2.68Å; E18-R74 IonicContact OE2-NH2 3.39Å; P19-R74 HydrophobicContact CG-CB 4.46Å; P19-R74 HydrophobicContact CG-CG 4.21Å; T70-R74 WeakPolarHBondContact O-CB 3.42Å; T70-R74 PolarHBondContact O-N 2.78Å; Q71-R74 WeakPolarHBondContact O-CB 3.22Å; Q71-R74 PolarHBondContact O-N 2.98Å; Q71-R74 VanDerWaalsContact O-N 3.17Å; R74-L77 PolarHBondContact O-N 2.84Å; R74-R78 PolarHBondContact O-N 3.29Å
75E97.7Very high97.7Very high117 Ų11759.1 Ų59.155%0.54730%0.297SS..Hα-helixtrans-65.7-41.6174.4-69.3177.6-175.800111.7Q71 T72 L77 R78 N79Q71-E75 PolarHBondContact O-N 3.18Å; T72-E75 PolarHBondContact O-N 2.86Å; E75-L77 VanDerWaalsContact C-N 3.32Å; E75-L77 PolarHBondContact O-N 2.75Å; E75-R78 WeakPolarHBondContact O-CB 3.46Å; E75-R78 PolarHBondContact O-N 3.3Å; E75-R78 VanDerWaalsContact O-N 3.12Å; E75-N79 PolarHBondContact O-N 3.14Å
76S97.8Very high97.7Very high40 Ų4058.8 Ų58.828%0.2829%0.294SS..Hα-helixtrans-60.1-41.1177.3-59.20000112T72 Y73 R78 N79 L80T72-S76 WeakPolarHBondContact O-CB 3.26Å; T72-S76 PolarHBondContact O-N 3.45Å; T72-S76 PolarHBondContact O-OG 3.39Å; Y73-S76 PolarHBondContact O-N 3.25Å; S76-R78 VanDerWaalsContact C-N 3.31Å; S76-R78 PolarHBondContact O-N 2.92Å; S76-N79 PolarHBondContact O-N 2.69Å; S76-L80 WeakPolarHBondContact O-CB 3.22Å; S76-L80 VanDerWaalsContact O-CG 3.29Å; S76-L80 WeakPolarHBondContact O-CG 3.29Å; S76-L80 PolarHBondContact O-N 2.9Å
77L98.2Very high97.5Very high9 Ų962.7 Ų62.75%0.04732%0.321CS..Hα-helixtrans-60.3-40175.1-80.5163.4000111.9A10 P19 Y73 R74 E75 R81 H92 I94 Y117A10-L77 HydrophobicContact CB-CD1 4.21Å; P19-L77 HydrophobicContact CB-CD1 3.54Å; P19-L77 HydrophobicContact CG-CD1 3.7Å; Y73-L77 WeakPolarHBondContact O-CB 3.41Å; Y73-L77 WeakPolarHBondContact O-CG 3.47Å; Y73-L77 PolarHBondContact O-N 2.88Å; R74-L77 PolarHBondContact O-N 2.84Å; E75-L77 VanDerWaalsContact C-N 3.32Å; E75-L77 PolarHBondContact O-N 2.75Å; L77-R81 WeakPolarHBondContact O-CB 3.48Å; L77-R81 PolarHBondContact O-N 3.49Å; L77-R81 VanDerWaalsContact O-N 3.14Å; L77-H92 HydrophobicContact CD2-CB 4.06Å; L77-I94 HydrophobicContact CB-CD1 4.36Å; L77-I94 HydrophobicContact CD2-CD1 3.92Å; L77-I94 HydrophobicContact CD2-CG1 3.7Å; L77-I94 HydrophobicContact CG-CD1 3.67Å; L77-I94 HydrophobicContact CG-CG1 4.01Å; L77-Y117 HydrophobicContact CD2-CE2 4.32Å
78R97.2Very high97.3Very high133 Ų13364.7 Ų64.750%0.50233%0.332SS..Hα-helixtrans-67.2-42.9176.4-66.4175.8-174.1166.81.4111.6R74 E75 S76 G82R74-R78 PolarHBondContact O-N 3.29Å; E75-R78 WeakPolarHBondContact O-CB 3.46Å; E75-R78 PolarHBondContact O-N 3.3Å; E75-R78 VanDerWaalsContact O-N 3.12Å; S76-R78 VanDerWaalsContact C-N 3.31Å; S76-R78 PolarHBondContact O-N 2.92Å; R78-G82 PolarHBondContact O-N 3.39Å
79N97.5Very high97.1Very high81 Ų8165 Ų6543%0.43334%0.342SS..Hα-helixtrans-63.8-48.2178.5-70.1-23.2000111.8E75 S76 R81 G82 Y83E75-N79 PolarHBondContact O-N 3.14Å; S76-N79 PolarHBondContact O-N 2.69Å; N79-R81 PolarHBondContact O-N 3.18Å; N79-G82 WeakPolarHBondContact O-CA 3.37Å; N79-G82 PolarHBondContact O-N 2.89Å; N79-G82 VanDerWaalsContact O-N 3.09Å; N79-Y83 WeakPolarHBondContact O-CD1 3.48Å; N79-Y83 PolarHBondContact O-N 3.41Å
80L98Very high97Very high10 Ų1065 Ų655%0.05235%0.348CS..Hα-helixtrans-61.9-44.7-179.5-71171.1000111.6S76 G82 Y83 Y84 I94 Y117 Y122S76-L80 WeakPolarHBondContact O-CB 3.22Å; S76-L80 VanDerWaalsContact O-CG 3.29Å; S76-L80 WeakPolarHBondContact O-CG 3.29Å; S76-L80 PolarHBondContact O-N 2.9Å; L80-G82 PolarHBondContact O-N 2.88Å; L80-Y83 HydrophobicContact CD2-CD2 4.21Å; L80-Y83 PolarHBondContact O-N 3.12Å; L80-Y84 HydrophobicContact CD2-CE2 4.26Å; L80-Y84 VanDerWaalsContact O-CD2 3.27Å; L80-Y84 WeakPolarHBondContact O-CD2 3.4Å; L80-Y84 PolarHBondContact O-N 3.34Å; L80-I94 HydrophobicContact CD1-CD1 3.42Å; L80-I94 VanDerWaalsContact CD1-CD1 3.42Å; L80-I94 HydrophobicContact CD1-CG1 3.55Å; L80-Y117 HydrophobicContact CB-CD1 4.44Å; L80-Y117 HydrophobicContact CB-CD2 4.24Å; L80-Y117 HydrophobicContact CB-CE1 4.06Å; L80-Y117 HydrophobicContact CB-CE2 3.86Å; L80-Y117 HydrophobicContact CD1-CD2 3.49Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.49Å; L80-Y117 HydrophobicContact CD1-CE2 3.83Å; L80-Y117 HydrophobicContact CD1-CG 3.93Å; L80-Y117 HydrophobicContact CG-CD2 4.42Å; L80-Y117 HydrophobicContact CG-CE2 4.48Å; L80-Y122 HydrophobicContact CD2-CD2 4.09Å; L80-Y122 HydrophobicContact CD2-CE1 3.9Å; L80-Y122 HydrophobicContact CD2-CE2 3.37Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.22Å
81R97.2Very high97Very high65 Ų6567.9 Ų67.925%0.24537%0.368CS..Hα-helixtrans-53.4-42.1173.4-174.3-17165.8-177.59.9111.8L77 N79 N85 Q86 E88L77-R81 WeakPolarHBondContact O-CB 3.48Å; L77-R81 PolarHBondContact O-N 3.49Å; L77-R81 VanDerWaalsContact O-N 3.14Å; N79-R81 PolarHBondContact O-N 3.18Å; R81-N85 PolarHBondContact O-N 3.4Å; R81-N85 VanDerWaalsContact O-N 3.12Å; R81-Q86 HydrophobicContact CG-CB 3.78Å; R81-Q86 WeakPolarHBondContact CG-O 3.27Å; R81-Q86 PolarHBondContact O-N 3.12Å; R81-E88 IonicContact CZ-OE1 3.11Å; R81-E88 VanDerWaalsContact CZ-OE1 3.24Å; R81-E88 VanDerWaalsContact NH1-CG 3.35Å; R81-E88 IonicContact NH1-OE1 3.18Å; R81-E88 PolarHBondContact NH1-OE1 3.34Å; R81-E88 IonicContact NH2-OE1 3.4Å; R81-E88 PolarHBondContact NH2-OE1 2.91Å
82G97.3Very high97Very high43 Ų4364.6 Ų64.644%0.44335%0.353SS..Hα-helixtrans-64.8-45.5174.700000113R78 N79 L80 Y84 N85R78-G82 PolarHBondContact O-N 3.39Å; N79-G82 WeakPolarHBondContact O-CA 3.37Å; N79-G82 PolarHBondContact O-N 2.89Å; N79-G82 VanDerWaalsContact O-N 3.09Å; L80-G82 PolarHBondContact O-N 2.88Å; G82-Y84 VanDerWaalsContact C-N 3.27Å; G82-Y84 PolarHBondContact O-N 3.14Å; G82-N85 PolarHBondContact O-N 2.76Å
83Y97.9Very high97.1Very high54 Ų5464.3 Ų64.321%0.21235%0.349CS..Hα-helixtrans-62.2-35.2179.1-61.7-14.8000112.9N79 L80 A138 I141 K145N79-Y83 WeakPolarHBondContact O-CD1 3.48Å; N79-Y83 PolarHBondContact O-N 3.41Å; L80-Y83 HydrophobicContact CD2-CD2 4.21Å; L80-Y83 PolarHBondContact O-N 3.12Å; Y83-A138 HydrophobicContact CD2-CB 4.47Å; Y83-I141 HydrophobicContact CD1-CD1 4.07Å; Y83-I141 HydrophobicContact CE1-CD1 4.36Å; Y83-I141 HydrophobicContact CE1-CG2 4Å; Y83-I141 HydrophobicContact CE2-CB 4.27Å; Y83-I141 HydrophobicContact CE2-CG2 4.16Å; Y83-I141 HydrophobicContact CG-CD1 4.19Å; Y83-K145 PolarHBondContact OH-NZ 2.94Å
84Y98.1Very high97.1Very high67 Ų6764.3 Ų64.326%0.26335%0.349SS..THydrogen-bonded Turntrans-93.25.2179.2-69.9-72.2000114L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.26Å; L80-Y84 VanDerWaalsContact O-CD2 3.27Å; L80-Y84 WeakPolarHBondContact O-CD2 3.4Å; L80-Y84 PolarHBondContact O-N 3.34Å; G82-Y84 VanDerWaalsContact C-N 3.27Å; G82-Y84 PolarHBondContact O-N 3.14Å; Y84-Q86 PolarHBondContact O-N 2.74Å; Y84-Y117 AromaticContact CD2-CD1 3.64Å; Y84-Y117 HydrophobicContact CD2-CD1 3.64Å; Y84-Y117 AromaticContact CD2-CE1 3.44Å; Y84-Y117 HydrophobicContact CD2-CE1 3.44Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.44Å; Y84-Y117 AromaticContact CE2-CD1 3.42Å; Y84-Y117 HydrophobicContact CE2-CD1 3.42Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.42Å; Y84-Y117 AromaticContact CE2-CE1 3.76Å; Y84-Y117 HydrophobicContact CE2-CE1 3.76Å; Y84-Y117 HydrophobicContact CE2-CG 4.41Å; Y84-Y117 HydrophobicContact CG-CE1 4.31Å; Y84-Y122 HydrophobicContact CE2-CD2 4.34Å; Y84-Y122 HydrophobicContact CE2-CE2 4.05Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.36Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.38Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.38Å; Y84-D136 VanDerWaalsContact CZ-OD2 3.32Å; Y84-D136 VanDerWaalsContact OH-CG 3.27Å; Y84-D136 PolarHBondContact OH-OD1 3.27Å; Y84-D136 PolarHBondContact OH-OD2 2.85Å; Y84-A138 HydrophobicContact CD1-CB 4.24Å; Y84-A138 HydrophobicContact CD2-CB 4.38Å; Y84-A138 HydrophobicContact CE1-CB 3.7Å; Y84-A138 HydrophobicContact CE2-CB 3.86Å; Y84-A138 VanDerWaalsContact CZ-CB 3.49Å
85N97.3Very high97.2Very high150 Ų15066 Ų6680%0.80236%0.359SS*.THydrogen-bonded Turntrans5239.2-177.8-56.4-61.6000113.4R81 G82R81-N85 PolarHBondContact O-N 3.4Å; R81-N85 VanDerWaalsContact O-N 3.12Å; G82-N85 PolarHBondContact O-N 2.76Å
86Q97.6Very high97.3Very high59 Ų5961.9 Ų61.928%0.27634%0.338SS..  trans-88.7153.6-176-71.7165.6-30.700112.2R81 Y84 H92 Y117R81-Q86 HydrophobicContact CG-CB 3.78Å; R81-Q86 WeakPolarHBondContact CG-O 3.27Å; R81-Q86 PolarHBondContact O-N 3.12Å; Y84-Q86 PolarHBondContact O-N 2.74Å; Q86-H92 PolarHBondContact NE2-CE1 2.86Å; Q86-H92 PolarHBondContact OE1-CE1 2.95Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.3Å; Q86-Y117 PolarHBondContact OE1-OH 3.49Å
87S96.1Very high97.3Very high83 Ų8361.1 Ų61.158%0.5833%0.331SS*.  trans-69.6150.61781760000112.6A89 G90S87-A89 PolarHBondContact O-N 2.78Å; S87-A89 PolarHBondContact OG-N 3.27Å; S87-G90 PolarHBondContact O-N 3.17Å
88E93.8Very high97.4Very high131 Ų13161.6 Ų61.661%0.61233%0.332SS*.THydrogen-bonded Turntrans-68.9-19.2174.1-52-151.7128.200113.9P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3Å; P14-E88 WeakPolarHBondContact CG-O 3.13Å; R81-E88 IonicContact CZ-OE1 3.11Å; R81-E88 VanDerWaalsContact CZ-OE1 3.24Å; R81-E88 VanDerWaalsContact NH1-CG 3.35Å; R81-E88 IonicContact NH1-OE1 3.18Å; R81-E88 PolarHBondContact NH1-OE1 3.34Å; R81-E88 IonicContact NH2-OE1 3.4Å; R81-E88 PolarHBondContact NH2-OE1 2.91Å; E88-G90 VanDerWaalsContact C-N 3.27Å; E88-G90 PolarHBondContact O-N 2.85Å
89A93.9Very high97.4Very high82 Ų8255.3 Ų55.368%0.67831%0.308SS*.THydrogen-bonded Turntrans-77.1-14.9-179.900000113.1S87S87-A89 PolarHBondContact O-N 2.78Å; S87-A89 PolarHBondContact OG-N 3.27Å
90G94.1Very high97.5Very high25 Ų2551.4 Ų51.426%0.25829%0.288SS..  trans-75.6136.7-178.200000113.3P14 S87 E88 H92P14-G90 WeakPolarHBondContact CG-O 3.31Å; S87-G90 PolarHBondContact O-N 3.17Å; E88-G90 VanDerWaalsContact C-N 3.27Å; E88-G90 PolarHBondContact O-N 2.85Å; G90-H92 PolarHBondContact O-CD2 3.06Å; G90-H92 VanDerWaalsContact O-CD2 3.23Å
91S97.4Very high97.5Very high75 Ų7552.2 Ų52.252%0.52429%0.292SS..  trans-83131.8165.3-177.60000109S12S12-S91 PolarHBondContact O-OG 3.34Å
92H98.4Very high97.6Very high18 Ų1849.3 Ų49.38%0.08328%0.281CS..  trans-134.3152.6-175.6-63.7-73.6000110.9M11 S12 L77 Q86 G90 Y117 D118M11-H92 WeakPolarHBondContact CA-O 3.49Å; S12-H92 PolarHBondContact N-O 3.06Å; S12-H92 PolarHBondContact OG-N 3.43Å; S12-H92 PolarHBondContact OG-O 3.27Å; L77-H92 HydrophobicContact CD2-CB 4.06Å; Q86-H92 PolarHBondContact NE2-CE1 2.86Å; Q86-H92 PolarHBondContact OE1-CE1 2.95Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.3Å; G90-H92 PolarHBondContact O-CD2 3.06Å; G90-H92 VanDerWaalsContact O-CD2 3.23Å; H92-Y117 HydrophobicContact CB-CE2 3.83Å; H92-Y117 WeakPolarHBondContact CB-OH 3.48Å; H92-Y117 VanDerWaalsContact CG-OH 3.22Å; H92-Y117 AromaticContact ND1-CZ 3.91Å; H92-Y117 PolarHBondContact ND1-OH 3.05Å; H92-D118 WeakPolarHBondContact CA-OD1 3.41Å; H92-D118 WeakPolarHBondContact CB-OD1 3.25Å; H92-D118 IonicContact CE1-OD2 3.4Å; H92-D118 IonicContact CG-OD1 3.46Å; H92-D118 IonicContact CG-OD2 3.59Å; H92-D118 IonicContact ND1-OD1 3.53Å; H92-D118 IonicContact ND1-OD2 2.71Å; H92-D118 PolarHBondContact ND1-OD2 3.33Å
93I98.6Very high97.5Very high55 Ų5547.6 Ų47.628%0.28226%0.263SS..EExtended strand (participates in β ladder)trans-127.2131.4-176.3-57.7176.7000109.8T9 A10 M11 Q95 Y117 D118T9-I93 HydrophobicContact CG2-CG2 3.91Å; A10-I93 CarbonylContact O-C 3.54Å; A10-I93 WeakPolarHBondContact O-CA 3.25Å; M11-I93 HydrophobicContact CB-CG1 4.26Å; M11-I93 HydrophobicContact CG-CD1 4.48Å; M11-I93 HydrophobicContact CG-CG1 3.98Å; M11-I93 HydrophobicContact SD-CD1 4.36Å; M11-I93 HydrophobicContact SD-CG1 4.5Å; I93-Q95 HydrophobicContact CG2-CG 3.9Å; I93-Y117 WeakPolarHBondContact O-CA 3.12Å; I93-Y117 VanDerWaalsContact O-CD2 3.26Å; I93-Y117 WeakPolarHBondContact O-CD2 3.37Å; I93-D118 PolarHBondContact N-OD1 3.48Å; I93-D118 PolarHBondContact O-N 3.4Å
94I98.8Very high97.2Very high5 Ų550.7 Ų50.73%0.02629%0.29CS..EExtended strand (participates in β ladder)trans-107.5132.4162.5-56.8172.5000107.7T9 A10 Y73 L77 L80 Y115 A116 Y117T9-I94 WeakPolarHBondContact CA-O 3.41Å; A10-I94 HydrophobicContact CB-CB 4.49Å; A10-I94 PolarHBondContact N-O 2.99Å; A10-I94 PolarHBondContact O-N 3.29Å; Y73-I94 HydrophobicContact CD1-CB 4.03Å; Y73-I94 HydrophobicContact CD1-CD1 4.32Å; Y73-I94 HydrophobicContact CD1-CG2 3.81Å; Y73-I94 HydrophobicContact CE1-CB 4.28Å; Y73-I94 HydrophobicContact CE1-CG2 3.62Å; L77-I94 HydrophobicContact CB-CD1 4.36Å; L77-I94 HydrophobicContact CD2-CD1 3.92Å; L77-I94 HydrophobicContact CD2-CG1 3.7Å; L77-I94 HydrophobicContact CG-CD1 3.67Å; L77-I94 HydrophobicContact CG-CG1 4.01Å; L80-I94 HydrophobicContact CD1-CD1 3.42Å; L80-I94 VanDerWaalsContact CD1-CD1 3.42Å; L80-I94 HydrophobicContact CD1-CG1 3.55Å; I94-Y115 HydrophobicContact CG2-CD1 4.27Å; I94-A116 WeakPolarHBondContact CA-O 3.3Å; I94-Y117 HydrophobicContact CG1-CD2 3.89Å; I94-Y117 HydrophobicContact CG1-CE2 4.27Å
95Q98.8Very high97Very high83 Ų8352.5 Ų52.539%0.38831%0.305SS..EExtended strand (participates in β ladder)trans-117.1146169.6-65169.8-90.600109.7Y8 T9 I93 Y115 A116Y8-Q95 CarbonylContact O-C 3.55Å; Y8-Q95 VanDerWaalsContact O-CA 3.25Å; Y8-Q95 WeakPolarHBondContact O-CA 3.47Å; T9-Q95 HydrophobicContact CG2-CG 4.34Å; I93-Q95 HydrophobicContact CG2-CG 3.9Å; Q95-Y115 CarbonylContact O-C 3.53Å; Q95-Y115 VanDerWaalsContact O-CA 3.22Å; Q95-Y115 WeakPolarHBondContact O-CA 3.41Å; Q95-A116 HydrophobicContact CB-CB 4.35Å; Q95-A116 PolarHBondContact N-O 3.42Å; Q95-A116 PolarHBondContact O-N 2.94Å
96R98.7Very high96.7Very high31 Ų3146.6 Ų46.612%0.11728%0.279CS..EExtended strand (participates in β ladder)trans-132.9136.9169.1-179.1-169.2-178.5-176.66.8109.5F7 Y8 Y73 Y98 N113 Q114 Y115F7-R96 WeakPolarHBondContact CA-O 3.22Å; Y8-R96 PolarHBondContact N-O 3.15Å; Y8-R96 PolarHBondContact O-N 2.88Å; Y73-R96 HydrophobicContact CE1-CB 4.48Å; Y73-R96 WeakPolarHBondContact OH-CB 3.23Å; Y73-R96 WeakPolarHBondContact OH-CD 3.12Å; R96-Y98 HydrophobicContact CG-CD1 4.15Å; R96-Y98 VanDerWaalsContact NE-CD1 3.34Å; R96-N113 VanDerWaalsContact CZ-OD1 3.23Å; R96-N113 PolarHBondContact NE-OD1 3.42Å; R96-N113 PolarHBondContact NH2-OD1 3.43Å; R96-Q114 VanDerWaalsContact CA-O 3.27Å; R96-Q114 WeakPolarHBondContact CA-O 3.36Å; R96-Y115 HydrophobicContact CB-CD1 3.85Å; R96-Y115 HydrophobicContact CB-CE1 3.85Å; R96-Y115 HydrophobicContact CB-CG 4.35Å; R96-Y115 WeakPolarHBondContact CD-OH 3.36Å; R96-Y115 HydrophobicContact CG-CD1 4.07Å; R96-Y115 HydrophobicContact CG-CD2 4.24Å; R96-Y115 HydrophobicContact CG-CE1 3.79Å; R96-Y115 HydrophobicContact CG-CE2 3.91Å; R96-Y115 HydrophobicContact CG-CG 4.3Å; R96-Y115 VanDerWaalsContact CZ-OH 3.27Å; R96-Y115 PolarHBondContact NE-OH 3.5Å
97M98.8Very high96.6Very high25 Ų2552.1 Ų52.112%0.12330%0.297CS..EExtended strand (participates in β ladder)trans-120.9130.6164.3-176.1-78.9-71.900108.4Y6 F7 H112 N113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.11Å; F7-M97 HydrophobicContact CD1-CB 4.02Å; F7-M97 HydrophobicContact CD1-CG 3.72Å; F7-M97 HydrophobicContact CE1-CB 4.14Å; F7-M97 HydrophobicContact CE1-CG 3.4Å; F7-M97 VanDerWaalsContact CE1-CG 3.4Å; F7-M97 HydrophobicContact CZ-CG 4.06Å; M97-H112 HydrophobicContact CE-CB 3.94Å; M97-H112 HydrophobicContact SD-CB 3.95Å; M97-N113 WeakPolarHBondContact O-CA 3.5Å; M97-Q114 HydrophobicContact CB-CG 4.19Å; M97-Q114 HydrophobicContact CE-CG 4.05Å; M97-Q114 PolarHBondContact N-O 2.93Å; M97-Q114 PolarHBondContact O-N 3.47Å
98Y98.8Very high96.7Very high19 Ų1951.1 Ų51.18%0.07528%0.283CS..EExtended strand (participates in β ladder)trans-147.4158.1171.373.7-81.6000111.1R5 Y6 Y8 R96 H112 N113 Y158R5-Y98 WeakPolarHBondContact CA-O 3.46Å; Y6-Y98 VanDerWaalsContact CB-CE1 3.42Å; Y6-Y98 AromaticContact CD2-CE2 3.9Å; Y6-Y98 HydrophobicContact CD2-CE2 3.9Å; Y6-Y98 AromaticContact CD2-CZ 3.74Å; Y6-Y98 WeakPolarHBondContact CD2-OH 3.26Å; Y6-Y98 HydrophobicContact CG-CE1 4.2Å; Y6-Y98 HydrophobicContact CG-CE2 4.39Å; Y6-Y98 AromaticContact CG-CZ 3.79Å; Y6-Y98 PolarHBondContact N-O 3.08Å; Y6-Y98 PolarHBondContact O-N 2.98Å; Y6-Y98 VanDerWaalsContact O-N 3.15Å; Y8-Y98 HydrophobicContact CD2-CE1 4.45Å; Y8-Y98 AromaticContact CE1-CE1 3.86Å; Y8-Y98 HydrophobicContact CE1-CE1 3.86Å; Y8-Y98 AromaticContact CE2-CE1 3.79Å; Y8-Y98 HydrophobicContact CE2-CE1 3.79Å; Y8-Y98 AromaticContact CZ-CE1 3.45Å; Y8-Y98 VanDerWaalsContact CZ-CE1 3.45Å; Y8-Y98 AromaticContact CZ-CZ 3.94Å; Y8-Y98 WeakPolarHBondContact OH-CE1 3.49Å; Y8-Y98 PolarHBondContact OH-OH 3.29Å; R96-Y98 HydrophobicContact CG-CD1 4.15Å; R96-Y98 VanDerWaalsContact NE-CD1 3.34Å; Y98-H112 CarbonylContact C-O 3.44Å; Y98-H112 WeakPolarHBondContact CA-O 3.4Å; Y98-H112 VanDerWaalsContact CB-O 3.22Å; Y98-H112 WeakPolarHBondContact CB-O 3.25Å; Y98-N113 WeakPolarHBondContact CB-OD1 3.45Å; Y98-Y158 AromaticContact CD2-CE1 3.81Å; Y98-Y158 HydrophobicContact CD2-CE1 3.81Å; Y98-Y158 AromaticContact CE2-CE1 3.59Å; Y98-Y158 HydrophobicContact CE2-CE1 3.59Å; Y98-Y158 AromaticContact CE2-CZ 3.89Å
99G98.8Very high96.9Very high0 Ų050.3 Ų50.30%028%0.282CS..EExtended strand (participates in β ladder)trans156.3-173.2-179.400000113.4M4 G111 H112 L159M4-G99 CarbonylContact O-C 3.5Å; M4-G99 WeakPolarHBondContact O-CA 3.06Å; G99-G111 CarbonylContact O-C 3.6Å; G99-G111 WeakPolarHBondContact O-CA 3.17Å; G99-H112 PolarHBondContact N-O 3.44Å; G99-H112 PolarHBondContact O-N 3.5Å; G99-L159 WeakPolarHBondContact O-CD2 3.39Å
100C98.8Very high97.1Very high0 Ų051.1 Ų51.10%027%0.268CS..EExtended strand (participates in β ladder)trans-132.1149.9-172.452.50000111.1S3 M4 F108 R110 C163 V164S3-C100 WeakPolarHBondContact CA-O 3.04Å; M4-C100 PolarHBondContact N-O 3.23Å; M4-C100 PolarHBondContact O-N 3.01Å; C100-F108 HydrophobicContact CB-CD2 4.4Å; C100-F108 HydrophobicContact CB-CE2 4.13Å; C100-R110 WeakPolarHBondContact CA-O 3.18Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.39Å; C100-C163 PolarHBondContact N-SG 3.2Å; C100-C163 WeakPolarHBondContact SG-CB 3.17Å; C100-C163 PolarHBondContact SG-O 3.44Å; C100-C163 CovalentContact SG-SG 2.05Å; C100-C163 PolarHBondContact SG-SG 3.2Å; C100-V164 HydrophobicContact CB-CG2 4.42Å
101D98.6Very high97.3Very high26 Ų2650.1 Ų50.114%0.13926%0.257CS..EExtended strand (participates in β ladder)trans-114.2138.7175.5-55.5-26000109.5H2 S3 R5 L109 R110 H112H2-D101 CarbonylContact O-C 3.57Å; H2-D101 WeakPolarHBondContact O-CA 3.47Å; S3-D101 VanDerWaalsContact CB-OD1 3.23Å; S3-D101 WeakPolarHBondContact CB-OD1 3.5Å; R5-D101 IonicContact CZ-OD1 2.73Å; R5-D101 IonicContact NE-OD1 2.81Å; R5-D101 PolarHBondContact NE-OD1 2.96Å; R5-D101 VanDerWaalsContact NH2-CG 3.35Å; R5-D101 IonicContact NH2-OD1 2.87Å; R5-D101 PolarHBondContact NH2-OD1 2.82Å; R5-D101 IonicContact NH2-OD2 3.18Å; R5-D101 PolarHBondContact NH2-OD2 2.64Å; R5-D101 VanDerWaalsContact NH2-OD2 3.12Å; D101-L109 HydrophobicContact CB-CB 4.44Å; D101-L109 WeakPolarHBondContact O-CB 3.48Å; D101-L109 PolarHBondContact O-N 3.23Å; D101-R110 PolarHBondContact N-O 2.92Å; D101-H112 IonicContact OD1-NE2 2.92Å; D101-H112 IonicContact OD2-CD2 3.67Å; D101-H112 IonicContact OD2-CE1 2.88Å; D101-H112 IonicContact OD2-NE2 3.12Å; D101-H112 PolarHBondContact OD2-NE2 3Å
102L98.3Very high97.4Very high4 Ų448 Ų482%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-106135.2171-59.9-179.7000110.5S1 H2 R107 V164 L167 R168 L171S1-L102 VanDerWaalsContact CA-O 3.26Å; S1-L102 WeakPolarHBondContact CA-O 3.36Å; S1-L102 VanDerWaalsContact CB-O 3.25Å; S1-L102 WeakPolarHBondContact CB-O 3.41Å; H2-L102 PolarHBondContact N-O 2.77Å; H2-L102 VanDerWaalsContact N-O 3.13Å; H2-L102 PolarHBondContact O-N 3.13Å; L102-R107 CarbonylContact C-O 3.59Å; L102-R107 VanDerWaalsContact CA-O 3.26Å; L102-R107 WeakPolarHBondContact CA-O 3.13Å; L102-V164 HydrophobicContact CD2-CB 4.38Å; L102-V164 HydrophobicContact CD2-CG1 3.85Å; L102-V164 HydrophobicContact CD2-CG2 3.97Å; L102-L167 HydrophobicContact CD1-CD2 3.74Å; L102-L167 HydrophobicContact CD1-CG 3.82Å; L102-L167 HydrophobicContact CG-CD2 3.64Å; L102-L167 HydrophobicContact CG-CG 4.31Å; L102-R168 HydrophobicContact CD1-CG 4Å; L102-L171 HydrophobicContact CD1-CD1 4.3Å
103G96.4Very high97.4Very high7 Ų747.3 Ų47.37%0.07224%0.235CC..  trans-66.5174.5169.300000112.4D105 G106 R107G103-D105 PolarHBondContact O-N 2.05Å; G103-G106 PolarHBondContact O-N 3.46Å; G103-R107 PolarHBondContact N-O 3.38Å
104P91.8Very high97.4Very high119 Ų11948.3 Ų48.377%0.77324%0.239SC*.THydrogen-bonded Turntrans-59.5-25.6176.2-23.133.9000113.9S1 G106S1-P104 WeakPolarHBondContact OG-CD 3.35Å; P104-G106 PolarHBondContact O-N 3.16Å
105D92.8Very high97.4Very high106 Ų10650 Ų5057%0.56725%0.245SC*.THydrogen-bonded Turntrans-82.23.3175.768.1-15.1000113.4G103 R107G103-D105 PolarHBondContact O-N 2.05Å; D105-R107 PolarHBondContact O-N 2.88Å; D105-R107 WeakPolarHBondContact OD1-CB 3.33Å; D105-R107 PolarHBondContact OD1-N 2.96Å; D105-R107 WeakPolarHBondContact OD2-CD 3.4Å; D105-R107 WeakPolarHBondContact OD2-CG 3.32Å; D105-R107 IonicContact OD2-NE 2.82Å
106G91.4Very high97.4Very high26 Ų2646.8 Ų46.827%0.26823%0.233SC..SBendtrans71.811.9-178.800000114.2G103 P104 R168G103-G106 PolarHBondContact O-N 3.46Å; P104-G106 PolarHBondContact O-N 3.16Å; G106-R168 PolarHBondContact O-NE 3.36Å; G106-R168 PolarHBondContact O-NH2 3.16Å
107R96.1Very high97.4Very high174 Ų17445.9 Ų45.966%0.65723%0.23SC*.SBendtrans-90.7155.9176-62.7-171.9-177.1172.6-0.8111.5L102 G103 D105 L109L102-R107 CarbonylContact C-O 3.59Å; L102-R107 VanDerWaalsContact CA-O 3.26Å; L102-R107 WeakPolarHBondContact CA-O 3.13Å; G103-R107 PolarHBondContact N-O 3.38Å; D105-R107 PolarHBondContact O-N 2.88Å; D105-R107 WeakPolarHBondContact OD1-CB 3.33Å; D105-R107 PolarHBondContact OD1-N 2.96Å; D105-R107 WeakPolarHBondContact OD2-CD 3.4Å; D105-R107 WeakPolarHBondContact OD2-CG 3.32Å; D105-R107 IonicContact OD2-NE 2.82Å; R107-L109 PolarHBondContact O-N 3.32Å
108F98.1Very high97.4Very high63 Ų6347.8 Ų47.828%0.27624%0.24SC..EExtended strand (participates in β ladder)trans-55.8124.3174.6179.3-101.2000110.2C100 R110 L129 L159 E160 V164C100-F108 HydrophobicContact CB-CD2 4.4Å; C100-F108 HydrophobicContact CB-CE2 4.13Å; F108-R110 WeakPolarHBondContact CE2-O 3.22Å; F108-L129 HydrophobicContact CE1-CD1 3.99Å; F108-L129 HydrophobicContact CZ-CD1 3.68Å; F108-L159 WeakPolarHBondContact CE2-O 3.45Å; F108-E160 HydrophobicContact CD1-CG 4.32Å; F108-E160 HydrophobicContact CE1-CG 4.06Å; F108-E160 HydrophobicContact CZ-CG 4.16Å; F108-V164 HydrophobicContact CB-CG2 4.14Å; F108-V164 HydrophobicContact CD2-CG2 3.65Å; F108-V164 HydrophobicContact CG-CG2 4.36Å
109L98Very high97.3Very high114 Ų11449.6 Ų49.660%0.59727%0.265SS*.EExtended strand (participates in β ladder)trans-105-51.2178.5179.163000111D101 R107D101-L109 HydrophobicContact CB-CB 4.44Å; D101-L109 WeakPolarHBondContact O-CB 3.48Å; D101-L109 PolarHBondContact O-N 3.23Å; R107-L109 PolarHBondContact O-N 3.32Å
110R97.7Very high97.3Very high99 Ų9957.3 Ų57.337%0.37430%0.299SS..EExtended strand (participates in β ladder)trans-155.9150.3-177.5-173.2172.5-74.3169.2-4.7111C100 D101 F108 E127C100-R110 WeakPolarHBondContact CA-O 3.18Å; D101-R110 PolarHBondContact N-O 2.92Å; F108-R110 WeakPolarHBondContact CE2-O 3.22Å; R110-E127 IonicContact CZ-OE1 3.75Å; R110-E127 IonicContact CZ-OE2 3.42Å; R110-E127 VanDerWaalsContact CZ-OE2 3.26Å; R110-E127 VanDerWaalsContact NE-CD 3.31Å; R110-E127 IonicContact NE-OE1 3.71Å; R110-E127 PolarHBondContact NE-OE1 2.87Å; R110-E127 IonicContact NE-OE2 3.54Å; R110-E127 PolarHBondContact NE-OE2 3.39Å; R110-E127 IonicContact NH1-OE1 3.75Å; R110-E127 PolarHBondContact NH1-OE1 2.88Å; R110-E127 IonicContact NH2-OE1 3.9Å; R110-E127 PolarHBondContact NH2-OE1 2.87Å; R110-E127 IonicContact NH2-OE2 2.77Å; R110-E127 PolarHBondContact NH2-OE2 2.86Å
111G98.5Very high97.3Very high3 Ų363.2 Ų63.23%0.03133%0.33CS..EExtended strand (participates in β ladder)trans-116.8150.2171.900000110.5G99G99-G111 CarbonylContact O-C 3.6Å; G99-G111 WeakPolarHBondContact O-CA 3.17Å
112H98.6Very high97.3Very high32 Ų3262.5 Ų62.515%0.14833%0.326CS..EExtended strand (participates in β ladder)trans-130.5140-177.1-57-90.4000109.7R5 M97 Y98 G99 D101R5-H112 PolarHBondContact NH2-CD2 3.17Å; R5-H112 PolarHBondContact NH2-NE2 3.24Å; R5-H112 VanDerWaalsContact NH2-NE2 3.14Å; M97-H112 HydrophobicContact CE-CB 3.94Å; M97-H112 HydrophobicContact SD-CB 3.95Å; Y98-H112 CarbonylContact C-O 3.44Å; Y98-H112 WeakPolarHBondContact CA-O 3.4Å; Y98-H112 VanDerWaalsContact CB-O 3.22Å; Y98-H112 WeakPolarHBondContact CB-O 3.25Å; G99-H112 PolarHBondContact N-O 3.44Å; G99-H112 PolarHBondContact O-N 3.5Å; D101-H112 IonicContact OD1-NE2 2.92Å; D101-H112 IonicContact OD2-CD2 3.67Å; D101-H112 IonicContact OD2-CE1 2.88Å; D101-H112 IonicContact OD2-NE2 3.12Å; D101-H112 PolarHBondContact OD2-NE2 3Å
113N98.8Very high97.4Very high2 Ų262.4 Ų62.41%0.01133%0.325CS..EExtended strand (participates in β ladder)trans-158.8104166177.779.7000109.6R96 M97 Y98 L125 L155R96-N113 VanDerWaalsContact CZ-OD1 3.23Å; R96-N113 PolarHBondContact NE-OD1 3.42Å; R96-N113 PolarHBondContact NH2-OD1 3.43Å; M97-N113 WeakPolarHBondContact O-CA 3.5Å; Y98-N113 WeakPolarHBondContact CB-OD1 3.45Å; N113-L125 HydrophobicContact CB-CB 4.02Å; N113-L125 HydrophobicContact CB-CD2 4.19Å; N113-L125 WeakPolarHBondContact O-CB 3.3Å; N113-L125 PolarHBondContact O-N 2.82Å; N113-L155 HydrophobicContact CB-CD1 4.32Å; N113-L155 WeakPolarHBondContact ND2-CD1 3.33Å
114Q98.8Very high97.5Very high77 Ų7763.6 Ų63.636%0.3633%0.334SS..EExtended strand (participates in β ladder)trans-136.9150.1-175.365.9-165.653.800111.6R96 M97 I123 A124R96-Q114 VanDerWaalsContact CA-O 3.27Å; R96-Q114 WeakPolarHBondContact CA-O 3.36Å; M97-Q114 HydrophobicContact CB-CG 4.19Å; M97-Q114 HydrophobicContact CE-CG 4.05Å; M97-Q114 PolarHBondContact N-O 2.93Å; M97-Q114 PolarHBondContact O-N 3.47Å; Q114-I123 WeakPolarHBondContact CA-O 3.33Å; Q114-A124 HydrophobicContact CB-CB 3.89Å
115Y98.8Very high97.8Very high39 Ų3958.5 Ų58.515%0.15330%0.301CS..EExtended strand (participates in β ladder)trans-125.7144.5-179.4-66.8-107.6000110.3Y73 I94 Q95 R96 Y122 I123 W146Y73-Y115 HydrophobicContact CE1-CE1 4.32Å; Y73-Y115 VanDerWaalsContact OH-CE1 3.31Å; Y73-Y115 WeakPolarHBondContact OH-CE1 3.4Å; I94-Y115 HydrophobicContact CG2-CD1 4.27Å; Q95-Y115 CarbonylContact O-C 3.53Å; Q95-Y115 VanDerWaalsContact O-CA 3.22Å; Q95-Y115 WeakPolarHBondContact O-CA 3.41Å; R96-Y115 HydrophobicContact CB-CD1 3.85Å; R96-Y115 HydrophobicContact CB-CE1 3.85Å; R96-Y115 HydrophobicContact CB-CG 4.35Å; R96-Y115 WeakPolarHBondContact CD-OH 3.36Å; R96-Y115 HydrophobicContact CG-CD1 4.07Å; R96-Y115 HydrophobicContact CG-CD2 4.24Å; R96-Y115 HydrophobicContact CG-CE1 3.79Å; R96-Y115 HydrophobicContact CG-CE2 3.91Å; R96-Y115 HydrophobicContact CG-CG 4.3Å; R96-Y115 VanDerWaalsContact CZ-OH 3.27Å; R96-Y115 PolarHBondContact NE-OH 3.5Å; Y115-Y122 WeakPolarHBondContact O-CB 3.42Å; Y115-Y122 PolarHBondContact O-N 2.83Å; Y115-I123 HydrophobicContact CD2-CG2 4.14Å; Y115-I123 HydrophobicContact CG-CG2 4.46Å; Y115-I123 PolarHBondContact N-O 3.23Å; Y115-I123 PolarHBondContact O-N 2.78Å; Y115-W146 AromaticContact CD2-CH2 3.81Å; Y115-W146 HydrophobicContact CD2-CH2 3.81Å; Y115-W146 HydrophobicContact CD2-CZ3 4.31Å; Y115-W146 HydrophobicContact CE1-CH2 4.5Å; Y115-W146 AromaticContact CE2-CH2 3.42Å; Y115-W146 HydrophobicContact CE2-CH2 3.42Å; Y115-W146 VanDerWaalsContact CE2-CH2 3.42Å; Y115-W146 HydrophobicContact CE2-CZ2 4.42Å; Y115-W146 HydrophobicContact CE2-CZ3 4.06Å; Y115-W146 AromaticContact CZ-CH2 3.77Å
116A98.9Very high98.1Very high16 Ų1655.7 Ų55.713%0.13229%0.285CS..EExtended strand (participates in β ladder)trans-124.1149.1170.100000110.3I94 Q95 K120I94-A116 WeakPolarHBondContact CA-O 3.3Å; Q95-A116 HydrophobicContact CB-CB 4.35Å; Q95-A116 PolarHBondContact N-O 3.42Å; Q95-A116 PolarHBondContact O-N 2.94Å; A116-K120 CarbonylContact C-O 3.56Å; A116-K120 WeakPolarHBondContact CA-O 3.37Å; A116-K120 VanDerWaalsContact CB-O 3.22Å; A116-K120 WeakPolarHBondContact CB-O 3.41Å
117Y98.8Very high98.4Very high12 Ų1260.5 Ų60.55%0.04730%0.301CS..EExtended strand (participates in β ladder)trans-125.5126174-174-123.3000109.8L77 L80 Y84 Q86 H92 I93 I94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.32Å; L80-Y117 HydrophobicContact CB-CD1 4.44Å; L80-Y117 HydrophobicContact CB-CD2 4.24Å; L80-Y117 HydrophobicContact CB-CE1 4.06Å; L80-Y117 HydrophobicContact CB-CE2 3.86Å; L80-Y117 HydrophobicContact CD1-CD2 3.49Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.49Å; L80-Y117 HydrophobicContact CD1-CE2 3.83Å; L80-Y117 HydrophobicContact CD1-CG 3.93Å; L80-Y117 HydrophobicContact CG-CD2 4.42Å; L80-Y117 HydrophobicContact CG-CE2 4.48Å; Y84-Y117 AromaticContact CD2-CD1 3.64Å; Y84-Y117 HydrophobicContact CD2-CD1 3.64Å; Y84-Y117 AromaticContact CD2-CE1 3.44Å; Y84-Y117 HydrophobicContact CD2-CE1 3.44Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.44Å; Y84-Y117 AromaticContact CE2-CD1 3.42Å; Y84-Y117 HydrophobicContact CE2-CD1 3.42Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.42Å; Y84-Y117 AromaticContact CE2-CE1 3.76Å; Y84-Y117 HydrophobicContact CE2-CE1 3.76Å; Y84-Y117 HydrophobicContact CE2-CG 4.41Å; Y84-Y117 HydrophobicContact CG-CE1 4.31Å; Q86-Y117 PolarHBondContact OE1-OH 3.49Å; H92-Y117 HydrophobicContact CB-CE2 3.83Å; H92-Y117 WeakPolarHBondContact CB-OH 3.48Å; H92-Y117 VanDerWaalsContact CG-OH 3.22Å; H92-Y117 AromaticContact ND1-CZ 3.91Å; H92-Y117 PolarHBondContact ND1-OH 3.05Å; I93-Y117 WeakPolarHBondContact O-CA 3.12Å; I93-Y117 VanDerWaalsContact O-CD2 3.26Å; I93-Y117 WeakPolarHBondContact O-CD2 3.37Å; I94-Y117 HydrophobicContact CG1-CD2 3.89Å; I94-Y117 HydrophobicContact CG1-CE2 4.27Å; Y117-G119 PolarHBondContact O-N 3.25Å; Y117-K120 PolarHBondContact N-O 3.18Å; Y117-K120 PolarHBondContact O-N 3.44Å
118D98.4Very high98.5Very high65 Ų6556 Ų5635%0.34829%0.29SS..THydrogen-bonded Turntrans49.240.3-175.4-64.6-21.6000113.4H92 I93 K120H92-D118 WeakPolarHBondContact CA-OD1 3.41Å; H92-D118 WeakPolarHBondContact CB-OD1 3.25Å; H92-D118 IonicContact CE1-OD2 3.4Å; H92-D118 IonicContact CG-OD1 3.46Å; H92-D118 IonicContact CG-OD2 3.59Å; H92-D118 IonicContact ND1-OD1 3.53Å; H92-D118 IonicContact ND1-OD2 2.71Å; H92-D118 PolarHBondContact ND1-OD2 3.33Å; I93-D118 PolarHBondContact N-OD1 3.48Å; I93-D118 PolarHBondContact O-N 3.4Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 3.05Å
119G97.8Very high98.5Very high58 Ų5853.2 Ų53.260%0.59828%0.278SS*.THydrogen-bonded Turntrans79.54.3177.400000115.4Y117Y117-G119 PolarHBondContact O-N 3.25Å
120K98.6Very high98.5Very high161 Ų16151.3 Ų51.370%0.727%0.274SS*.EExtended strand (participates in β ladder)trans-111145.1175.9-63.3-178.9-178.9179.20110.9A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.56Å; A116-K120 WeakPolarHBondContact CA-O 3.37Å; A116-K120 VanDerWaalsContact CB-O 3.22Å; A116-K120 WeakPolarHBondContact CB-O 3.41Å; Y117-K120 PolarHBondContact N-O 3.18Å; Y117-K120 PolarHBondContact O-N 3.44Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 3.05Å; K120-Y122 PolarHBondContact O-N 2.86Å
121D98.8Very high98.6Very high124 Ų12448.4 Ų48.466%0.66327%0.269SS*.EExtended strand (participates in β ladder)trans-53.5135.6173.5-70.4-23.7000110.5A135D121-A135 HydrophobicContact CB-CB 4.48Å; D121-A135 WeakPolarHBondContact O-CB 3.3Å
122Y98.8Very high98.6Very high11 Ų1148.9 Ų48.94%0.04327%0.27CS..EExtended strand (participates in β ladder)trans-113.4-63.3179.9179.6-106.5000110.2L80 Y84 Y115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD2 4.09Å; L80-Y122 HydrophobicContact CD2-CE1 3.9Å; L80-Y122 HydrophobicContact CD2-CE2 3.37Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.22Å; Y84-Y122 HydrophobicContact CE2-CD2 4.34Å; Y84-Y122 HydrophobicContact CE2-CE2 4.05Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.36Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.38Å; Y115-Y122 WeakPolarHBondContact O-CB 3.42Å; Y115-Y122 PolarHBondContact O-N 2.83Å; K120-Y122 PolarHBondContact O-N 2.86Å; Y122-A135 WeakPolarHBondContact O-CB 3.23Å; Y122-A135 PolarHBondContact O-N 3.28Å; Y122-A138 HydrophobicContact CE2-CB 4.37Å; Y122-A138 PolarHBondContact OH-O 3.45Å; Y122-A139 HydrophobicContact CD1-CB 4.47Å; Y122-A139 HydrophobicContact CD2-CB 3.87Å; Y122-A139 HydrophobicContact CE1-CB 4.33Å; Y122-A139 HydrophobicContact CE2-CB 3.72Å; Y122-A139 HydrophobicContact CG-CB 4.24Å; Y122-A139 VanDerWaalsContact CZ-CA 3.48Å; Y122-A139 WeakPolarHBondContact O-CB 3.39Å; Y122-T142 HydrophobicContact CE1-CG2 4.2Å; Y122-T142 PolarHBondContact OH-OG1 3.41Å
123I98.9Very high98.6Very high3 Ų351.1 Ų51.12%0.01529%0.286CS..EExtended strand (participates in β ladder)trans-150.3140.2178.5-161173.7000110.6Q114 Y115 W132 T133 A134 T142 Q143 W146Q114-I123 WeakPolarHBondContact CA-O 3.33Å; Y115-I123 HydrophobicContact CD2-CG2 4.14Å; Y115-I123 HydrophobicContact CG-CG2 4.46Å; Y115-I123 PolarHBondContact N-O 3.23Å; Y115-I123 PolarHBondContact O-N 2.78Å; I123-W132 HydrophobicContact CD1-CB 4.24Å; I123-W132 HydrophobicContact CD1-CD2 4.37Å; I123-W132 HydrophobicContact CD1-CE3 4.15Å; I123-W132 HydrophobicContact CD1-CG 4.43Å; I123-W132 HydrophobicContact CG1-CB 4.34Å; I123-W132 HydrophobicContact CG1-CE3 4.03Å; I123-T133 WeakPolarHBondContact CA-O 3.5Å; I123-T133 WeakPolarHBondContact CG1-O 3.49Å; I123-A134 HydrophobicContact CG1-CB 4.5Å; I123-T142 HydrophobicContact CD1-CG2 4.16Å; I123-Q143 HydrophobicContact CD1-CB 3.88Å; I123-W146 HydrophobicContact CD1-CE3 4.13Å; I123-W146 HydrophobicContact CD1-CZ3 4.29Å; I123-W146 HydrophobicContact CG2-CE3 4.48Å; I123-W146 HydrophobicContact CG2-CH2 3.96Å; I123-W146 HydrophobicContact CG2-CZ3 3.64Å
124A98.9Very high98.6Very high31 Ų3152.1 Ų52.126%0.25630%0.295SS..EExtended strand (participates in β ladder)trans-130.9139.1178.500000111.5Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.89Å; A124-W132 WeakPolarHBondContact O-CA 3.36Å; A124-T133 PolarHBondContact N-O 2.93Å; A124-T133 PolarHBondContact O-N 2.9Å
125L98.9Very high98.6Very high13 Ų1351.3 Ų51.37%0.06830%0.301CS..EExtended strand (participates in β ladder)trans-72.2126.5167.1-175.869.1000107.9N113 L129 W132 A152 L155 L159N113-L125 HydrophobicContact CB-CB 4.02Å; N113-L125 HydrophobicContact CB-CD2 4.19Å; N113-L125 WeakPolarHBondContact O-CB 3.3Å; N113-L125 PolarHBondContact O-N 2.82Å; L125-L129 HydrophobicContact CD2-CB 4.39Å; L125-L129 HydrophobicContact CD2-CD2 3.82Å; L125-L129 HydrophobicContact CG-CD2 4.39Å; L125-W132 HydrophobicContact CB-CE3 4.05Å; L125-W132 HydrophobicContact CB-CH2 4.14Å; L125-W132 HydrophobicContact CB-CZ3 3.69Å; L125-W132 HydrophobicContact CD1-CD2 4.22Å; L125-W132 HydrophobicContact CD1-CE3 4.31Å; L125-W132 HydrophobicContact CD1-CH2 4.04Å; L125-W132 HydrophobicContact CD1-CZ2 3.92Å; L125-W132 HydrophobicContact CD1-CZ3 4.21Å; L125-A152 HydrophobicContact CD1-CB 3.91Å; L125-L155 HydrophobicContact CD2-CB 4.15Å; L125-L155 HydrophobicContact CD2-CD1 4.35Å; L125-L159 HydrophobicContact CD2-CD1 3.95Å
126N98.8Very high98.6Very high46 Ų4652 Ų5225%0.24631%0.307CS..  trans-70.2163.3179.2-67.2-28.5000111D128 L129 S131 T133N126-D128 PolarHBondContact O-N 2.94Å; N126-L129 PolarHBondContact O-N 2.7Å; N126-S131 WeakPolarHBondContact CB-O 3.48Å; N126-S131 WeakPolarHBondContact CB-OG 3.17Å; N126-S131 PolarHBondContact N-O 2.84Å; N126-S131 PolarHBondContact ND2-OG 3.27Å; N126-T133 PolarHBondContact ND2-OG1 3.39Å; N126-T133 WeakPolarHBondContact OD1-CB 3.27Å; N126-T133 PolarHBondContact OD1-OG1 3.46Å
127E98Very high98.5Very high127 Ų12756.4 Ų56.459%0.59333%0.333SS*.THydrogen-bonded Turntrans-60.6-20.8-178.2-62-172.1-179.800113.8R110 L129R110-E127 IonicContact CZ-OE1 3.75Å; R110-E127 IonicContact CZ-OE2 3.42Å; R110-E127 VanDerWaalsContact CZ-OE2 3.26Å; R110-E127 VanDerWaalsContact NE-CD 3.31Å; R110-E127 IonicContact NE-OE1 3.71Å; R110-E127 PolarHBondContact NE-OE1 2.87Å; R110-E127 IonicContact NE-OE2 3.54Å; R110-E127 PolarHBondContact NE-OE2 3.39Å; R110-E127 IonicContact NH1-OE1 3.75Å; R110-E127 PolarHBondContact NH1-OE1 2.88Å; R110-E127 IonicContact NH2-OE1 3.9Å; R110-E127 PolarHBondContact NH2-OE1 2.87Å; R110-E127 IonicContact NH2-OE2 2.77Å; R110-E127 PolarHBondContact NH2-OE2 2.86Å; E127-L129 PolarHBondContact O-N 2.88Å
128D98.1Very high98.5Very high80 Ų8056 Ų5643%0.42833%0.332SS..THydrogen-bonded Turntrans-70.9-9.1173.868.920000113.9N126 S130 S131N126-D128 PolarHBondContact O-N 2.94Å; D128-S130 PolarHBondContact O-N 3.4Å; D128-S130 VanDerWaalsContact O-N 3.16Å; D128-S130 WeakPolarHBondContact OD1-CA 3.46Å; D128-S130 PolarHBondContact OD1-N 2.86Å; D128-S130 PolarHBondContact OD1-OG 2.92Å; D128-S130 PolarHBondContact OD2-OG 2.91Å; D128-S131 VanDerWaalsContact CG-OG 3.28Å; D128-S131 PolarHBondContact OD1-N 2.82Å; D128-S131 PolarHBondContact OD1-OG 2.86Å; D128-S131 WeakPolarHBondContact OD2-CB 3.24Å; D128-S131 PolarHBondContact OD2-OG 2.77Å
129L98.5Very high98.5Very high5 Ų553 Ų533%0.02632%0.315CS..SBendtrans5526.3-177.6-48.8178.3000114.3F108 L125 N126 E127 R156 L159 E160F108-L129 HydrophobicContact CE1-CD1 3.99Å; F108-L129 HydrophobicContact CZ-CD1 3.68Å; L125-L129 HydrophobicContact CD2-CB 4.39Å; L125-L129 HydrophobicContact CD2-CD2 3.82Å; L125-L129 HydrophobicContact CG-CD2 4.39Å; N126-L129 PolarHBondContact O-N 2.7Å; E127-L129 PolarHBondContact O-N 2.88Å; L129-R156 HydrophobicContact CB-CB 4.04Å; L129-R156 HydrophobicContact CB-CG 3.97Å; L129-R156 HydrophobicContact CD1-CG 4.21Å; L129-L159 HydrophobicContact CD2-CD1 4Å; L129-E160 HydrophobicContact CD1-CG 4.06Å
130S98.2Very high98.6Very high73 Ų7353.8 Ų53.851%0.5130%0.304SS..SBendtrans-136-25.2-174.769.80000113.2D128D128-S130 PolarHBondContact O-N 3.4Å; D128-S130 VanDerWaalsContact O-N 3.16Å; D128-S130 WeakPolarHBondContact OD1-CA 3.46Å; D128-S130 PolarHBondContact OD1-N 2.86Å; D128-S130 PolarHBondContact OD1-OG 2.92Å; D128-S130 PolarHBondContact OD2-OG 2.91Å
131S98.4Very high98.6Very high39 Ų3948.9 Ų48.927%0.27329%0.285SS..  trans-121.5165.2-178.370.90000112.4N126 D128N126-S131 WeakPolarHBondContact CB-O 3.48Å; N126-S131 WeakPolarHBondContact CB-OG 3.17Å; N126-S131 PolarHBondContact N-O 2.84Å; N126-S131 PolarHBondContact ND2-OG 3.27Å; D128-S131 VanDerWaalsContact CG-OG 3.28Å; D128-S131 PolarHBondContact OD1-N 2.82Å; D128-S131 PolarHBondContact OD1-OG 2.86Å; D128-S131 WeakPolarHBondContact OD2-CB 3.24Å; D128-S131 PolarHBondContact OD2-OG 2.77Å
132W98.8Very high98.5Very high12 Ų1243.7 Ų43.75%0.04526%0.258CS..EExtended strand (participates in β ladder)trans-122.8144.5-175-60.693.1000111.4I123 A124 L125 Q143 W146 V151 A152 L155I123-W132 HydrophobicContact CD1-CB 4.24Å; I123-W132 HydrophobicContact CD1-CD2 4.37Å; I123-W132 HydrophobicContact CD1-CE3 4.15Å; I123-W132 HydrophobicContact CD1-CG 4.43Å; I123-W132 HydrophobicContact CG1-CB 4.34Å; I123-W132 HydrophobicContact CG1-CE3 4.03Å; A124-W132 WeakPolarHBondContact O-CA 3.36Å; L125-W132 HydrophobicContact CB-CE3 4.05Å; L125-W132 HydrophobicContact CB-CH2 4.14Å; L125-W132 HydrophobicContact CB-CZ3 3.69Å; L125-W132 HydrophobicContact CD1-CD2 4.22Å; L125-W132 HydrophobicContact CD1-CE3 4.31Å; L125-W132 HydrophobicContact CD1-CH2 4.04Å; L125-W132 HydrophobicContact CD1-CZ2 3.92Å; L125-W132 HydrophobicContact CD1-CZ3 4.21Å; W132-Q143 HydrophobicContact CB-CG 4.08Å; W132-W146 AromaticContact CD2-CE3 3.99Å; W132-W146 HydrophobicContact CD2-CE3 3.99Å; W132-W146 AromaticContact CE2-CE3 3.79Å; W132-W146 AromaticContact CE3-CE3 3.82Å; W132-W146 HydrophobicContact CE3-CE3 3.82Å; W132-W146 AromaticContact CE3-CZ3 3.9Å; W132-W146 HydrophobicContact CE3-CZ3 3.9Å; W132-W146 HydrophobicContact CH2-CD2 4.37Å; W132-W146 AromaticContact CH2-CE3 3.24Å; W132-W146 HydrophobicContact CH2-CE3 3.24Å; W132-W146 HydrophobicContact CH2-CH2 4.48Å; W132-W146 AromaticContact CH2-CZ3 3.32Å; W132-W146 HydrophobicContact CH2-CZ3 3.32Å; W132-W146 HydrophobicContact CZ2-CD2 4.31Å; W132-W146 AromaticContact CZ2-CE3 3.44Å; W132-W146 HydrophobicContact CZ2-CE3 3.44Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.44Å; W132-W146 HydrophobicContact CZ2-CZ3 4.03Å; W132-W146 AromaticContact CZ3-CE3 3.48Å; W132-W146 HydrophobicContact CZ3-CE3 3.48Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.48Å; W132-W146 AromaticContact CZ3-CZ3 3.27Å; W132-W146 HydrophobicContact CZ3-CZ3 3.27Å; W132-V151 HydrophobicContact CH2-CG1 4.46Å; W132-V151 HydrophobicContact CZ2-CB 4.3Å; W132-V151 HydrophobicContact CZ2-CG1 4.07Å; W132-A152 HydrophobicContact CZ2-CB 4.25Å; W132-L155 HydrophobicContact CH2-CD1 3.39Å; W132-L155 HydrophobicContact CZ2-CD1 3.86Å; W132-L155 HydrophobicContact CZ3-CD1 4.48Å
133T98.8Very high98.5Very high80 Ų8045 Ų4549%0.49126%0.264SS..EExtended strand (participates in β ladder)trans-106.4116.4164-65.30000108.8I123 A124 N126I123-T133 WeakPolarHBondContact CA-O 3.5Å; I123-T133 WeakPolarHBondContact CG1-O 3.49Å; A124-T133 PolarHBondContact N-O 2.93Å; A124-T133 PolarHBondContact O-N 2.9Å; N126-T133 PolarHBondContact ND2-OG1 3.39Å; N126-T133 WeakPolarHBondContact OD1-CB 3.27Å; N126-T133 PolarHBondContact OD1-OG1 3.46Å
134A98.8Very high98.5Very high23 Ų2352.3 Ų52.319%0.1929%0.292CS..EExtended strand (participates in β ladder)trans-96.7131.4174.900000110.3I123 A139 Q140 Q143I123-A134 HydrophobicContact CG1-CB 4.5Å; A134-A139 HydrophobicContact CB-CB 3.73Å; A134-Q140 HydrophobicContact CB-CG 3.95Å; A134-Q143 HydrophobicContact CB-CB 4.45Å
135A98.6Very high98.5Very high59 Ų5956.2 Ų56.249%0.48830%0.303SS..SBendtrans-74-30.4-175.600000113.4D121 Y122D121-A135 HydrophobicContact CB-CB 4.48Å; D121-A135 WeakPolarHBondContact O-CB 3.3Å; Y122-A135 WeakPolarHBondContact O-CB 3.23Å; Y122-A135 PolarHBondContact O-N 3.28Å
136D98.4Very high98.5Very high54 Ų5458.1 Ų58.129%0.28931%0.309SS..SBendtrans-152.6-175.9-178.365.629.5000112.8Y84 A138 A139 Q140Y84-D136 WeakPolarHBondContact CE1-OD2 3.38Å; Y84-D136 VanDerWaalsContact CZ-OD2 3.32Å; Y84-D136 VanDerWaalsContact OH-CG 3.27Å; Y84-D136 PolarHBondContact OH-OD1 3.27Å; Y84-D136 PolarHBondContact OH-OD2 2.85Å; D136-A138 VanDerWaalsContact C-N 3.28Å; D136-A138 PolarHBondContact O-N 2.98Å; D136-A138 WeakPolarHBondContact OD1-CA 3.38Å; D136-A138 WeakPolarHBondContact OD1-CB 3.42Å; D136-A138 PolarHBondContact OD1-N 3.5Å; D136-A139 PolarHBondContact O-N 2.9Å; D136-A139 PolarHBondContact OD1-N 3.2Å; D136-Q140 WeakPolarHBondContact O-CG 3.14Å; D136-Q140 PolarHBondContact O-N 3.36Å
137T98.3Very high98.5Very high109 Ų10960.6 Ų60.667%0.66932%0.319SS*.Hα-helixtrans-65.1-27.7-179.651.20000113.8
138A98.3Very high98.5Very high4 Ų458.9 Ų58.93%0.03333%0.327CS..Hα-helixtrans-71.9-44.917500000109.9Y83 Y84 Y122 D136 Q140 I141Y83-A138 HydrophobicContact CD2-CB 4.47Å; Y84-A138 HydrophobicContact CD1-CB 4.24Å; Y84-A138 HydrophobicContact CD2-CB 4.38Å; Y84-A138 HydrophobicContact CE1-CB 3.7Å; Y84-A138 HydrophobicContact CE2-CB 3.86Å; Y84-A138 VanDerWaalsContact CZ-CB 3.49Å; Y122-A138 HydrophobicContact CE2-CB 4.37Å; Y122-A138 PolarHBondContact OH-O 3.45Å; D136-A138 VanDerWaalsContact C-N 3.28Å; D136-A138 PolarHBondContact O-N 2.98Å; D136-A138 WeakPolarHBondContact OD1-CA 3.38Å; D136-A138 WeakPolarHBondContact OD1-CB 3.42Å; D136-A138 PolarHBondContact OD1-N 3.5Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 3.31Å; A138-I141 VanDerWaalsContact O-CB 3.27Å; A138-I141 WeakPolarHBondContact O-CB 3.34Å; A138-I141 PolarHBondContact O-N 2.91Å
139A98.6Very high98.5Very high0 Ų057.7 Ų57.70%033%0.328CS..Hα-helixtrans-60.5-34.417400000113.2Y122 A134 D136 I141 T142 Q143Y122-A139 HydrophobicContact CD1-CB 4.47Å; Y122-A139 HydrophobicContact CD2-CB 3.87Å; Y122-A139 HydrophobicContact CE1-CB 4.33Å; Y122-A139 HydrophobicContact CE2-CB 3.72Å; Y122-A139 HydrophobicContact CG-CB 4.24Å; Y122-A139 VanDerWaalsContact CZ-CA 3.48Å; Y122-A139 WeakPolarHBondContact O-CB 3.39Å; A134-A139 HydrophobicContact CB-CB 3.73Å; D136-A139 PolarHBondContact O-N 2.9Å; D136-A139 PolarHBondContact OD1-N 3.2Å; A139-I141 PolarHBondContact O-N 3.09Å; A139-T142 WeakPolarHBondContact O-CA 3.45Å; A139-T142 WeakPolarHBondContact O-CB 3.45Å; A139-T142 PolarHBondContact O-N 3.39Å; A139-Q143 PolarHBondContact O-N 3.01Å
140Q98.7Very high98.5Very high75 Ų7565 Ų6535%0.3536%0.355SS..Hα-helixtrans-60.6-28.8173.3-73.1173.38.400113A134 D136 A138 Q143 R144A134-Q140 HydrophobicContact CB-CG 3.95Å; D136-Q140 WeakPolarHBondContact O-CG 3.14Å; D136-Q140 PolarHBondContact O-N 3.36Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 3.31Å; Q140-Q143 PolarHBondContact O-N 2.83Å; Q140-R144 WeakPolarHBondContact O-CG 3.44Å; Q140-R144 PolarHBondContact O-N 3.49Å; Q140-R144 VanDerWaalsContact O-N 3.09Å
141I98.5Very high98.5Very high58 Ų5863 Ų6330%0.29734%0.339SS..Hα-helixtrans-65.9-44.5173.6-58.1169.6000109.7Y83 A138 A139 K145Y83-I141 HydrophobicContact CD1-CD1 4.07Å; Y83-I141 HydrophobicContact CE1-CD1 4.36Å; Y83-I141 HydrophobicContact CE1-CG2 4Å; Y83-I141 HydrophobicContact CE2-CB 4.27Å; Y83-I141 HydrophobicContact CE2-CG2 4.16Å; Y83-I141 HydrophobicContact CG-CD1 4.19Å; A138-I141 VanDerWaalsContact O-CB 3.27Å; A138-I141 WeakPolarHBondContact O-CB 3.34Å; A138-I141 PolarHBondContact O-N 2.91Å; A139-I141 PolarHBondContact O-N 3.09Å; I141-K145 WeakPolarHBondContact O-CG 3.39Å; I141-K145 PolarHBondContact O-N 3.35Å
142T98.5Very high98.6Very high16 Ų1661.5 Ų61.510%0.09833%0.33CS..Hα-helixtrans-63.8-44.5174.5-68.90000111.4Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.2Å; Y122-T142 PolarHBondContact OH-OG1 3.41Å; I123-T142 HydrophobicContact CD1-CG2 4.16Å; A139-T142 WeakPolarHBondContact O-CA 3.45Å; A139-T142 WeakPolarHBondContact O-CB 3.45Å; A139-T142 PolarHBondContact O-N 3.39Å; T142-R144 PolarHBondContact O-N 2.95Å; T142-K145 WeakPolarHBondContact O-CB 3.48Å; T142-K145 PolarHBondContact O-N 3.33Å; T142-K145 VanDerWaalsContact O-N 3.14Å; T142-W146 HydrophobicContact CG2-CD2 3.69Å; T142-W146 HydrophobicContact CG2-CE3 4.1Å; T142-W146 HydrophobicContact CG2-CG 4.11Å; T142-W146 HydrophobicContact CG2-CH2 4.18Å; T142-W146 HydrophobicContact CG2-CZ2 3.79Å; T142-W146 HydrophobicContact CG2-CZ3 4.32Å; T142-W146 PolarHBondContact O-N 3.22Å
143Q98.8Very high98.5Very high39 Ų3966.1 Ų66.118%0.18235%0.352CS..Hα-helixtrans-52.7-52.8177.6178.3174.97.300111.6I123 W132 A134 A139 Q140 K145 W146 E147I123-Q143 HydrophobicContact CD1-CB 3.88Å; W132-Q143 HydrophobicContact CB-CG 4.08Å; A134-Q143 HydrophobicContact CB-CB 4.45Å; A139-Q143 PolarHBondContact O-N 3.01Å; Q140-Q143 PolarHBondContact O-N 2.83Å; Q143-K145 VanDerWaalsContact C-N 3.29Å; Q143-K145 PolarHBondContact O-N 3.36Å; Q143-W146 PolarHBondContact O-N 2.98Å; Q143-W146 VanDerWaalsContact O-N 3.07Å; Q143-E147 HydrophobicContact CG-CG 4.29Å; Q143-E147 VanDerWaalsContact CG-OE1 3.23Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.47Å; Q143-E147 PolarHBondContact NE2-OE1 3.18Å; Q143-E147 WeakPolarHBondContact O-CB 3.42Å; Q143-E147 WeakPolarHBondContact O-CG 3.33Å; Q143-E147 PolarHBondContact O-N 3.27Å
144R98.8Very high98.5Very high156 Ų15668.6 Ų68.659%0.58936%0.358SS*.Hα-helixtrans-58.2-40.4179.1-68.6171.5-165.5152.27.6112.5Q140 T142 A148Q140-R144 WeakPolarHBondContact O-CG 3.44Å; Q140-R144 PolarHBondContact O-N 3.49Å; Q140-R144 VanDerWaalsContact O-N 3.09Å; T142-R144 PolarHBondContact O-N 2.95Å; R144-A148 WeakPolarHBondContact O-CB 3.38Å; R144-A148 PolarHBondContact O-N 3.05Å
145K98.4Very high98.5Very high112 Ų11268.5 Ų68.549%0.48735%0.354SS..Hα-helixtrans-64.4-42.8176.5-71.5177.8176.6-174.40111.3Y83 I141 T142 Q143 A149Y83-K145 PolarHBondContact OH-NZ 2.94Å; I141-K145 WeakPolarHBondContact O-CG 3.39Å; I141-K145 PolarHBondContact O-N 3.35Å; T142-K145 WeakPolarHBondContact O-CB 3.48Å; T142-K145 PolarHBondContact O-N 3.33Å; T142-K145 VanDerWaalsContact O-N 3.14Å; Q143-K145 VanDerWaalsContact C-N 3.29Å; Q143-K145 PolarHBondContact O-N 3.36Å; K145-A149 WeakPolarHBondContact O-CB 3.39Å; K145-A149 PolarHBondContact O-N 3.45Å
146W98.6Very high98.5Very high54 Ų5470.9 Ų70.921%0.20535%0.35CS..Hα-helixtrans-73.6-34.9-177.9-767.3000113.2Y115 I123 W132 T142 Q143 A149 R150 V151Y115-W146 AromaticContact CD2-CH2 3.81Å; Y115-W146 HydrophobicContact CD2-CH2 3.81Å; Y115-W146 HydrophobicContact CD2-CZ3 4.31Å; Y115-W146 HydrophobicContact CE1-CH2 4.5Å; Y115-W146 AromaticContact CE2-CH2 3.42Å; Y115-W146 HydrophobicContact CE2-CH2 3.42Å; Y115-W146 VanDerWaalsContact CE2-CH2 3.42Å; Y115-W146 HydrophobicContact CE2-CZ2 4.42Å; Y115-W146 HydrophobicContact CE2-CZ3 4.06Å; Y115-W146 AromaticContact CZ-CH2 3.77Å; I123-W146 HydrophobicContact CD1-CE3 4.13Å; I123-W146 HydrophobicContact CD1-CZ3 4.29Å; I123-W146 HydrophobicContact CG2-CE3 4.48Å; I123-W146 HydrophobicContact CG2-CH2 3.96Å; I123-W146 HydrophobicContact CG2-CZ3 3.64Å; W132-W146 AromaticContact CD2-CE3 3.99Å; W132-W146 HydrophobicContact CD2-CE3 3.99Å; W132-W146 AromaticContact CE2-CE3 3.79Å; W132-W146 AromaticContact CE3-CE3 3.82Å; W132-W146 HydrophobicContact CE3-CE3 3.82Å; W132-W146 AromaticContact CE3-CZ3 3.9Å; W132-W146 HydrophobicContact CE3-CZ3 3.9Å; W132-W146 HydrophobicContact CH2-CD2 4.37Å; W132-W146 AromaticContact CH2-CE3 3.24Å; W132-W146 HydrophobicContact CH2-CE3 3.24Å; W132-W146 HydrophobicContact CH2-CH2 4.48Å; W132-W146 AromaticContact CH2-CZ3 3.32Å; W132-W146 HydrophobicContact CH2-CZ3 3.32Å; W132-W146 HydrophobicContact CZ2-CD2 4.31Å; W132-W146 AromaticContact CZ2-CE3 3.44Å; W132-W146 HydrophobicContact CZ2-CE3 3.44Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.44Å; W132-W146 HydrophobicContact CZ2-CZ3 4.03Å; W132-W146 AromaticContact CZ3-CE3 3.48Å; W132-W146 HydrophobicContact CZ3-CE3 3.48Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.48Å; W132-W146 AromaticContact CZ3-CZ3 3.27Å; W132-W146 HydrophobicContact CZ3-CZ3 3.27Å; T142-W146 HydrophobicContact CG2-CD2 3.69Å; T142-W146 HydrophobicContact CG2-CE3 4.1Å; T142-W146 HydrophobicContact CG2-CG 4.11Å; T142-W146 HydrophobicContact CG2-CH2 4.18Å; T142-W146 HydrophobicContact CG2-CZ2 3.79Å; T142-W146 HydrophobicContact CG2-CZ3 4.32Å; T142-W146 PolarHBondContact O-N 3.22Å; Q143-W146 PolarHBondContact O-N 2.98Å; Q143-W146 VanDerWaalsContact O-N 3.07Å; W146-A149 CarbonylContact O-C 3.52Å; W146-A149 PolarHBondContact O-N 3.04Å; W146-R150 PolarHBondContact O-N 3.42Å; W146-V151 HydrophobicContact CB-CB 3.95Å; W146-V151 HydrophobicContact CB-CG2 3.91Å; W146-V151 HydrophobicContact CD2-CB 4.5Å; W146-V151 HydrophobicContact CD2-CG1 4.28Å; W146-V151 HydrophobicContact CG-CB 4.08Å; W146-V151 HydrophobicContact CG-CG1 4.35Å; W146-V151 HydrophobicContact CG-CG2 3.84Å; W146-V151 PolarHBondContact O-N 2.77Å
147E98.6Very high98.5Very high98 Ų9871.5 Ų71.546%0.45836%0.363SS..Hα-helixtrans-64.2-48.8170.9-73169.4173.500110.8Q143 A149 R150Q143-E147 HydrophobicContact CG-CG 4.29Å; Q143-E147 VanDerWaalsContact CG-OE1 3.23Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.47Å; Q143-E147 PolarHBondContact NE2-OE1 3.18Å; Q143-E147 WeakPolarHBondContact O-CB 3.42Å; Q143-E147 WeakPolarHBondContact O-CG 3.33Å; Q143-E147 PolarHBondContact O-N 3.27Å; E147-A149 PolarHBondContact O-N 2.87Å; E147-R150 PolarHBondContact O-N 2.82Å
148A98.5Very high98.5Very high91 Ų9169 Ų6975%0.75234%0.342SS*.Hα-helixtrans-59.9-35.217700000112.8R144R144-A148 WeakPolarHBondContact O-CB 3.38Å; R144-A148 PolarHBondContact O-N 3.05Å
149A98.4Very high98.5Very high55 Ų5568.9 Ų68.946%0.45534%0.34SS..THydrogen-bonded Turntrans-90.74.117800000114.2K145 W146 E147 V151K145-A149 WeakPolarHBondContact O-CB 3.39Å; K145-A149 PolarHBondContact O-N 3.45Å; W146-A149 CarbonylContact O-C 3.52Å; W146-A149 PolarHBondContact O-N 3.04Å; E147-A149 PolarHBondContact O-N 2.87Å; A149-V151 VanDerWaalsContact C-N 3.25Å; A149-V151 HydrophobicContact CB-CG2 4.04Å; A149-V151 PolarHBondContact O-N 3.05Å
150R98.3Very high98.5Very high158 Ų15872.8 Ų72.860%0.59636%0.359SS*.THydrogen-bonded Turntrans50.841.1-179.1-62.8176.6173.1-121.56113.8W146 E147 A152 E153W146-R150 PolarHBondContact O-N 3.42Å; E147-R150 PolarHBondContact O-N 2.82Å; R150-A152 VanDerWaalsContact C-N 3.25Å; R150-A152 PolarHBondContact O-N 3.33Å; R150-E153 HydrophobicContact CB-CG 4.34Å; R150-E153 WeakPolarHBondContact CD-OE1 3.47Å; R150-E153 IonicContact CZ-OE1 3.82Å; R150-E153 IonicContact NE-OE1 3.29Å; R150-E153 IonicContact NH1-OE1 2.92Å; R150-E153 PolarHBondContact NH1-OE1 3.32Å; R150-E153 IonicContact NH1-OE2 3.65Å; R150-E153 PolarHBondContact O-N 2.88Å
151V98.6Very high98.5Very high30 Ų3070.2 Ų70.218%0.18235%0.352CS..Hα-helixtrans-62.7-33.3-176.8176.10000111.9W132 W146 A149 E153 Q154 L155W132-V151 HydrophobicContact CH2-CG1 4.46Å; W132-V151 HydrophobicContact CZ2-CB 4.3Å; W132-V151 HydrophobicContact CZ2-CG1 4.07Å; W146-V151 HydrophobicContact CB-CB 3.95Å; W146-V151 HydrophobicContact CB-CG2 3.91Å; W146-V151 HydrophobicContact CD2-CB 4.5Å; W146-V151 HydrophobicContact CD2-CG1 4.28Å; W146-V151 HydrophobicContact CG-CB 4.08Å; W146-V151 HydrophobicContact CG-CG1 4.35Å; W146-V151 HydrophobicContact CG-CG2 3.84Å; W146-V151 PolarHBondContact O-N 2.77Å; A149-V151 VanDerWaalsContact C-N 3.25Å; A149-V151 HydrophobicContact CB-CG2 4.04Å; A149-V151 PolarHBondContact O-N 3.05Å; V151-E153 VanDerWaalsContact C-N 3.33Å; V151-E153 PolarHBondContact O-N 2.9Å; V151-Q154 PolarHBondContact O-N 2.87Å; V151-L155 HydrophobicContact CG1-CD1 3.92Å; V151-L155 HydrophobicContact CG1-CG 4.31Å; V151-L155 WeakPolarHBondContact O-CG 3.38Å; V151-L155 PolarHBondContact O-N 2.88Å; V151-L155 VanDerWaalsContact O-N 3.09Å
152A98.7Very high98.5Very high8 Ų870.6 Ų70.67%0.06635%0.354CS..Hα-helixtrans-60.6-39.8178.500000112.4L125 W132 R150 Q154 L155 R156L125-A152 HydrophobicContact CD1-CB 3.91Å; W132-A152 HydrophobicContact CZ2-CB 4.25Å; R150-A152 VanDerWaalsContact C-N 3.25Å; R150-A152 PolarHBondContact O-N 3.33Å; A152-Q154 VanDerWaalsContact C-N 3.33Å; A152-Q154 PolarHBondContact O-N 3.34Å; A152-L155 PolarHBondContact O-N 2.93Å; A152-R156 VanDerWaalsContact O-CB 3.32Å; A152-R156 WeakPolarHBondContact O-CB 3.15Å; A152-R156 PolarHBondContact O-N 2.88Å
153E98.4Very high98.5Very high109 Ų10969.8 Ų69.851%0.50935%0.349SS..Hα-helixtrans-62.1-40.7178.6-63.1174.7-163.300111.7R150 V151 A157R150-E153 HydrophobicContact CB-CG 4.34Å; R150-E153 WeakPolarHBondContact CD-OE1 3.47Å; R150-E153 IonicContact CZ-OE1 3.82Å; R150-E153 IonicContact NE-OE1 3.29Å; R150-E153 IonicContact NH1-OE1 2.92Å; R150-E153 PolarHBondContact NH1-OE1 3.32Å; R150-E153 IonicContact NH1-OE2 3.65Å; R150-E153 PolarHBondContact O-N 2.88Å; V151-E153 VanDerWaalsContact C-N 3.33Å; V151-E153 PolarHBondContact O-N 2.9Å; E153-A157 WeakPolarHBondContact O-CB 3.45Å; E153-A157 PolarHBondContact O-N 2.82Å
154Q98.1Very high98.5Very high133 Ų13368.2 Ų68.262%0.62134%0.342SS*.Hα-helixtrans-67.2-42.4177.3-60.4177.436.100111.8V151 A152 A157 Y158V151-Q154 PolarHBondContact O-N 2.87Å; A152-Q154 VanDerWaalsContact C-N 3.33Å; A152-Q154 PolarHBondContact O-N 3.34Å; Q154-A157 PolarHBondContact O-N 2.97Å; Q154-Y158 PolarHBondContact O-N 2.73Å; Q154-Y158 VanDerWaalsContact O-N 3.12Å
155L98.6Very high98.5Very high20 Ų2066.2 Ų66.211%0.10534%0.34CS..Hα-helixtrans-66.4-42.9177.6-71.4170.6000111.4N113 L125 W132 V151 A152 A157 Y158 L159N113-L155 HydrophobicContact CB-CD1 4.32Å; N113-L155 WeakPolarHBondContact ND2-CD1 3.33Å; L125-L155 HydrophobicContact CD2-CB 4.15Å; L125-L155 HydrophobicContact CD2-CD1 4.35Å; W132-L155 HydrophobicContact CH2-CD1 3.39Å; W132-L155 HydrophobicContact CZ2-CD1 3.86Å; W132-L155 HydrophobicContact CZ3-CD1 4.48Å; V151-L155 HydrophobicContact CG1-CD1 3.92Å; V151-L155 HydrophobicContact CG1-CG 4.31Å; V151-L155 WeakPolarHBondContact O-CG 3.38Å; V151-L155 PolarHBondContact O-N 2.88Å; V151-L155 VanDerWaalsContact O-N 3.09Å; A152-L155 PolarHBondContact O-N 2.93Å; L155-A157 PolarHBondContact O-N 3.45Å; L155-Y158 PolarHBondContact O-N 3Å; L155-L159 WeakPolarHBondContact O-CB 3.46Å; L155-L159 WeakPolarHBondContact O-CG 3.49Å; L155-L159 PolarHBondContact O-N 2.82Å
156R98.6Very high98.5Very high109 Ų10964 Ų6441%0.41133%0.328SS..Hα-helixtrans-56.7-49.3174.5-178.5178.2177.2162.712.1111.4L129 A152 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.04Å; L129-R156 HydrophobicContact CB-CG 3.97Å; L129-R156 HydrophobicContact CD1-CG 4.21Å; A152-R156 VanDerWaalsContact O-CB 3.32Å; A152-R156 WeakPolarHBondContact O-CB 3.15Å; A152-R156 PolarHBondContact O-N 2.88Å; R156-Y158 VanDerWaalsContact C-N 3.28Å; R156-Y158 PolarHBondContact O-N 3.48Å; R156-L159 PolarHBondContact O-N 3.41Å; R156-L159 VanDerWaalsContact O-N 3.17Å; R156-E160 HydrophobicContact CG-CG 4.19Å; R156-E160 WeakPolarHBondContact CG-OE2 3.17Å; R156-E160 IonicContact CZ-OE1 3.86Å; R156-E160 IonicContact CZ-OE2 2.78Å; R156-E160 VanDerWaalsContact NE-CD 3.33Å; R156-E160 IonicContact NE-OE1 3.68Å; R156-E160 PolarHBondContact NE-OE1 2.81Å; R156-E160 VanDerWaalsContact NE-OE1 3.12Å; R156-E160 IonicContact NE-OE2 3.54Å; R156-E160 PolarHBondContact NE-OE2 3.3Å; R156-E160 IonicContact NH2-OE1 3.76Å; R156-E160 PolarHBondContact NH2-OE1 2.96Å; R156-E160 VanDerWaalsContact NH2-OE1 3.11Å; R156-E160 IonicContact NH2-OE2 3.64Å; R156-E160 WeakPolarHBondContact O-CB 3.49Å; R156-E160 PolarHBondContact O-N 3.05Å
157A98.6Very high98.5Very high67 Ų6761.4 Ų61.455%0.55432%0.318SS*.Hα-helixtrans-58.5-38.917800000112.6E153 Q154 L155 G161E153-A157 WeakPolarHBondContact O-CB 3.45Å; E153-A157 PolarHBondContact O-N 2.82Å; Q154-A157 PolarHBondContact O-N 2.97Å; L155-A157 PolarHBondContact O-N 3.45Å; A157-G161 PolarHBondContact O-N 2.89Å
158Y98.6Very high98.5Very high58 Ų5862.4 Ų62.423%0.22732%0.318CS..Iπ-helixtrans-68.2-47.5173.8170-96.7000112.5Y98 Q154 L155 R156 G161 L162 C163Y98-Y158 AromaticContact CD2-CE1 3.81Å; Y98-Y158 HydrophobicContact CD2-CE1 3.81Å; Y98-Y158 AromaticContact CE2-CE1 3.59Å; Y98-Y158 HydrophobicContact CE2-CE1 3.59Å; Y98-Y158 AromaticContact CE2-CZ 3.89Å; Q154-Y158 PolarHBondContact O-N 2.73Å; Q154-Y158 VanDerWaalsContact O-N 3.12Å; L155-Y158 PolarHBondContact O-N 3Å; R156-Y158 VanDerWaalsContact C-N 3.28Å; R156-Y158 PolarHBondContact O-N 3.48Å; Y158-G161 CarbonylContact O-C 3.57Å; Y158-G161 PolarHBondContact O-N 2.93Å; Y158-L162 HydrophobicContact CD2-CB 3.89Å; Y158-L162 HydrophobicContact CD2-CD1 4.35Å; Y158-L162 HydrophobicContact CE2-CB 4.1Å; Y158-L162 PolarHBondContact O-N 2.88Å; Y158-L162 VanDerWaalsContact O-N 3.17Å; Y158-C163 HydrophobicContact CD1-CB 4.28Å; Y158-C163 HydrophobicContact CE1-CB 3.82Å; Y158-C163 WeakPolarHBondContact O-CB 3.33Å; Y158-C163 PolarHBondContact O-N 3.1Å
159L98.8Very high98.4Very high1 Ų163.4 Ų63.41%0.00530%0.302CS..Iπ-helixtrans-69.2-41.4-173.3-71.2170.9000112.4G99 F108 L125 L129 L155 R156 V164G99-L159 WeakPolarHBondContact O-CD2 3.39Å; F108-L159 WeakPolarHBondContact CE2-O 3.45Å; L125-L159 HydrophobicContact CD2-CD1 3.95Å; L129-L159 HydrophobicContact CD2-CD1 4Å; L155-L159 WeakPolarHBondContact O-CB 3.46Å; L155-L159 WeakPolarHBondContact O-CG 3.49Å; L155-L159 PolarHBondContact O-N 2.82Å; R156-L159 PolarHBondContact O-N 3.41Å; R156-L159 VanDerWaalsContact O-N 3.17Å; L159-V164 WeakPolarHBondContact O-CG2 3.45Å
160E98.4Very high98.4Very high82 Ų8260.9 Ų60.938%0.38328%0.281SS..Iπ-helixtrans-79.9-22.3177.6-67.1179.9155.100112.5F108 L129 R156F108-E160 HydrophobicContact CD1-CG 4.32Å; F108-E160 HydrophobicContact CE1-CG 4.06Å; F108-E160 HydrophobicContact CZ-CG 4.16Å; L129-E160 HydrophobicContact CD1-CG 4.06Å; R156-E160 HydrophobicContact CG-CG 4.19Å; R156-E160 WeakPolarHBondContact CG-OE2 3.17Å; R156-E160 IonicContact CZ-OE1 3.86Å; R156-E160 IonicContact CZ-OE2 2.78Å; R156-E160 VanDerWaalsContact NE-CD 3.33Å; R156-E160 IonicContact NE-OE1 3.68Å; R156-E160 PolarHBondContact NE-OE1 2.81Å; R156-E160 VanDerWaalsContact NE-OE1 3.12Å; R156-E160 IonicContact NE-OE2 3.54Å; R156-E160 PolarHBondContact NE-OE2 3.3Å; R156-E160 IonicContact NH2-OE1 3.76Å; R156-E160 PolarHBondContact NH2-OE1 2.96Å; R156-E160 VanDerWaalsContact NH2-OE1 3.11Å; R156-E160 IonicContact NH2-OE2 3.64Å; R156-E160 WeakPolarHBondContact O-CB 3.49Å; R156-E160 PolarHBondContact O-N 3.05Å
161G98.3Very high98.4Very high20 Ų2054 Ų5421%0.20626%0.256CS..Iπ-helixtrans-106.8-96.8-177.700000113.3A157 Y158 C163 V164 E165A157-G161 PolarHBondContact O-N 2.89Å; Y158-G161 CarbonylContact O-C 3.57Å; Y158-G161 PolarHBondContact O-N 2.93Å; G161-C163 VanDerWaalsContact C-N 3.28Å; G161-C163 PolarHBondContact O-N 3.08Å; G161-V164 PolarHBondContact O-N 2.9Å; G161-E165 WeakPolarHBondContact O-CG 3.25Å; G161-E165 PolarHBondContact O-N 3.21Å
162L98.1Very high98.4Very high66 Ų6657.6 Ų57.635%0.34627%0.271SS..Iπ-helixtrans-55.1-39-171-73.4176.2000113.6Y158 V164 E165 W166Y158-L162 HydrophobicContact CD2-CB 3.89Å; Y158-L162 HydrophobicContact CD2-CD1 4.35Å; Y158-L162 HydrophobicContact CE2-CB 4.1Å; Y158-L162 PolarHBondContact O-N 2.88Å; Y158-L162 VanDerWaalsContact O-N 3.17Å; L162-V164 PolarHBondContact O-N 3.31Å; L162-E165 PolarHBondContact O-N 2.8Å; L162-W166 WeakPolarHBondContact O-CB 3.5Å; L162-W166 PolarHBondContact O-N 3.44Å
163C98.6Very high98.4Very high0 Ų059.4 Ų59.40%028%0.28CS..Hα-helixtrans-60-47.9178.3-173.60000111.1M4 C100 Y158 G161 W166 L167M4-C163 HydrophobicContact CE-CB 4.21Å; M4-C163 WeakPolarHBondContact CE-O 3.38Å; M4-C163 VanDerWaalsContact CE-SG 3.55Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.39Å; C100-C163 PolarHBondContact N-SG 3.2Å; C100-C163 WeakPolarHBondContact SG-CB 3.17Å; C100-C163 PolarHBondContact SG-O 3.44Å; C100-C163 CovalentContact SG-SG 2.05Å; C100-C163 PolarHBondContact SG-SG 3.2Å; Y158-C163 HydrophobicContact CD1-CB 4.28Å; Y158-C163 HydrophobicContact CE1-CB 3.82Å; Y158-C163 WeakPolarHBondContact O-CB 3.33Å; Y158-C163 PolarHBondContact O-N 3.1Å; G161-C163 VanDerWaalsContact C-N 3.28Å; G161-C163 PolarHBondContact O-N 3.08Å; C163-W166 PolarHBondContact O-N 2.72Å; C163-L167 WeakPolarHBondContact O-CB 3.39Å; C163-L167 PolarHBondContact O-N 3.36Å
164V98.4Very high98.3Very high5 Ų554.4 Ų54.43%0.0326%0.257CS..Hα-helixtrans-65.5-43179168.40000111.4C100 L102 F108 L159 G161 L162 L167 R168C100-V164 HydrophobicContact CB-CG2 4.42Å; L102-V164 HydrophobicContact CD2-CB 4.38Å; L102-V164 HydrophobicContact CD2-CG1 3.85Å; L102-V164 HydrophobicContact CD2-CG2 3.97Å; F108-V164 HydrophobicContact CB-CG2 4.14Å; F108-V164 HydrophobicContact CD2-CG2 3.65Å; F108-V164 HydrophobicContact CG-CG2 4.36Å; L159-V164 WeakPolarHBondContact O-CG2 3.45Å; G161-V164 PolarHBondContact O-N 2.9Å; L162-V164 PolarHBondContact O-N 3.31Å; V164-L167 PolarHBondContact O-N 3.12Å; V164-R168 VanDerWaalsContact CG1-CZ 3.42Å; V164-R168 WeakPolarHBondContact O-CG 3.25Å; V164-R168 PolarHBondContact O-N 3.09Å
165E98.3Very high98.3Very high115 Ų11553.1 Ų53.154%0.53725%0.25SC..Hα-helixtrans-60-48.2177.6-71.1173.9-173.800111.8G161 L162 R168 R169G161-E165 WeakPolarHBondContact O-CG 3.25Å; G161-E165 PolarHBondContact O-N 3.21Å; L162-E165 PolarHBondContact O-N 2.8Å; E165-R168 PolarHBondContact O-N 2.92Å; E165-R169 PolarHBondContact O-N 3.39Å
166W98.4Very high98.1Very high64 Ų6459.7 Ų59.724%0.24228%0.28CS..Hα-helixtrans-67.2-41.9178.5-82.5107.4000112.4M4 Y58 L162 C163 R168 R169 H170M4-W166 HydrophobicContact CE-CB 4Å; M4-W166 HydrophobicContact SD-CB 4.37Å; Y58-W166 AromaticContact CD2-CH2 3.49Å; Y58-W166 HydrophobicContact CD2-CH2 3.49Å; Y58-W166 VanDerWaalsContact CD2-CH2 3.49Å; Y58-W166 AromaticContact CD2-CZ2 3.99Å; Y58-W166 HydrophobicContact CD2-CZ2 3.99Å; Y58-W166 AromaticContact CD2-CZ3 3.91Å; Y58-W166 HydrophobicContact CD2-CZ3 3.91Å; Y58-W166 HydrophobicContact CE2-CE3 4.28Å; Y58-W166 AromaticContact CE2-CH2 3.82Å; Y58-W166 HydrophobicContact CE2-CH2 3.82Å; Y58-W166 HydrophobicContact CE2-CZ2 4.25Å; Y58-W166 AromaticContact CE2-CZ3 3.83Å; Y58-W166 HydrophobicContact CE2-CZ3 3.83Å; L162-W166 WeakPolarHBondContact O-CB 3.5Å; L162-W166 PolarHBondContact O-N 3.44Å; C163-W166 PolarHBondContact O-N 2.72Å; W166-R168 VanDerWaalsContact C-N 3.34Å; W166-R168 PolarHBondContact O-N 3.04Å; W166-R169 PolarHBondContact O-N 3.31Å; W166-H170 AromaticContact CE3-CE1 3.47Å; W166-H170 VanDerWaalsContact CE3-CE1 3.47Å; W166-H170 AromaticContact CE3-NE2 3.86Å; W166-H170 AromaticContact CZ3-CE1 3.97Å; W166-H170 WeakPolarHBondContact O-CB 3.33Å; W166-H170 PolarHBondContact O-CD2 2.95Å; W166-H170 VanDerWaalsContact O-CD2 3.31Å; W166-H170 PolarHBondContact O-N 2.9Å
167L98.7Very high98Very high0 Ų056.5 Ų56.50%027%0.272CS..Hα-helixtrans-59.1-45175.6174.451.8000111.3H2 M4 V27 L102 C163 V164 R169 H170 L171H2-L167 HydrophobicContact CB-CD1 4.38Å; M4-L167 HydrophobicContact CB-CB 4.01Å; M4-L167 HydrophobicContact CB-CD1 4.01Å; M4-L167 HydrophobicContact CB-CD2 4.05Å; M4-L167 HydrophobicContact CB-CG 4.23Å; M4-L167 HydrophobicContact CE-CB 4.4Å; M4-L167 HydrophobicContact SD-CB 4.42Å; V27-L167 HydrophobicContact CG1-CD1 3.64Å; V27-L167 HydrophobicContact CG2-CD1 4.26Å; L102-L167 HydrophobicContact CD1-CD2 3.74Å; L102-L167 HydrophobicContact CD1-CG 3.82Å; L102-L167 HydrophobicContact CG-CD2 3.64Å; L102-L167 HydrophobicContact CG-CG 4.31Å; C163-L167 WeakPolarHBondContact O-CB 3.39Å; C163-L167 PolarHBondContact O-N 3.36Å; V164-L167 PolarHBondContact O-N 3.12Å; L167-R169 PolarHBondContact O-N 3.35Å; L167-H170 PolarHBondContact O-N 2.87Å; L167-L171 HydrophobicContact CD1-CD1 3.9Å; L167-L171 HydrophobicContact CD1-CD2 4.43Å; L167-L171 HydrophobicContact CD1-CG 3.9Å; L167-L171 HydrophobicContact CG-CD1 4.09Å; L167-L171 WeakPolarHBondContact O-CB 3.21Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.17Å; L167-L171 PolarHBondContact O-N 2.96Å
168R98.3Very high97.9Very high120 Ų12053.5 Ų53.545%0.45325%0.247SC..Hα-helixtrans-60.7-43.9175.3-73.4176.2-178.1149.60.5112.4L102 G106 V164 E165 W166 H170 L171 E172L102-R168 HydrophobicContact CD1-CG 4Å; G106-R168 PolarHBondContact O-NE 3.36Å; G106-R168 PolarHBondContact O-NH2 3.16Å; V164-R168 VanDerWaalsContact CG1-CZ 3.42Å; V164-R168 WeakPolarHBondContact O-CG 3.25Å; V164-R168 PolarHBondContact O-N 3.09Å; E165-R168 PolarHBondContact O-N 2.92Å; W166-R168 VanDerWaalsContact C-N 3.34Å; W166-R168 PolarHBondContact O-N 3.04Å; R168-H170 PolarHBondContact O-N 2.9Å; R168-L171 PolarHBondContact O-N 3Å; R168-E172 PolarHBondContact O-N 3.2Å
169R98.1Very high97.7Very high112 Ų11256 Ų5642%0.42326%0.261SS..Hα-helixtrans-60.4-45.1176.1177.1175.6173.192.8-6111.4E54 E165 W166 L167 E172 N173E54-R169 IonicContact OE1-CZ 2.73Å; E54-R169 IonicContact OE1-NE 3.4Å; E54-R169 PolarHBondContact OE1-NE 2.81Å; E54-R169 IonicContact OE1-NH2 3.61Å; E54-R169 PolarHBondContact OE1-NH2 3.09Å; E54-R169 IonicContact OE2-CZ 3.72Å; E54-R169 IonicContact OE2-NE 2.71Å; E54-R169 PolarHBondContact OE2-NE 3.24Å; E54-R169 IonicContact OE2-NH2 3.58Å; E54-R169 PolarHBondContact OE2-NH2 3.31Å; E165-R169 PolarHBondContact O-N 3.39Å; W166-R169 PolarHBondContact O-N 3.31Å; L167-R169 PolarHBondContact O-N 3.35Å; R169-E172 PolarHBondContact O-N 2.96Å; R169-N173 WeakPolarHBondContact O-CB 3.4Å; R169-N173 PolarHBondContact O-N 2.94Å; R169-N173 PolarHBondContact O-ND2 3.15Å; R169-N173 PolarHBondContact O-OD1 3.16Å
170H98.4Very high97.7Very high1 Ų161.2 Ų61.21%0.00528%0.281CS..Hα-helixtrans-64.6-40.9178.2-64.3-24.2000112.1V27 F32 W50 I51 W166 L167 R168 E172 N173 G174 L178V27-H170 HydrophobicContact CG2-CB 4.09Å; F32-H170 AromaticContact CE2-NE2 3.73Å; W50-H170 HydrophobicContact CE3-CB 4.31Å; W50-H170 HydrophobicContact CH2-CB 3.98Å; W50-H170 HydrophobicContact CZ3-CB 3.63Å; W50-H170 AromaticContact CZ3-CG 3.51Å; W50-H170 AromaticContact CZ3-ND1 3.59Å; I51-H170 WeakPolarHBondContact CD1-CE1 3.43Å; W166-H170 AromaticContact CE3-CE1 3.47Å; W166-H170 VanDerWaalsContact CE3-CE1 3.47Å; W166-H170 AromaticContact CE3-NE2 3.86Å; W166-H170 AromaticContact CZ3-CE1 3.97Å; W166-H170 WeakPolarHBondContact O-CB 3.33Å; W166-H170 PolarHBondContact O-CD2 2.95Å; W166-H170 VanDerWaalsContact O-CD2 3.31Å; W166-H170 PolarHBondContact O-N 2.9Å; L167-H170 PolarHBondContact O-N 2.87Å; R168-H170 PolarHBondContact O-N 2.9Å; H170-E172 VanDerWaalsContact C-N 3.33Å; H170-E172 PolarHBondContact O-N 3.13Å; H170-N173 PolarHBondContact O-N 2.8Å; H170-G174 WeakPolarHBondContact O-CA 3.42Å; H170-G174 PolarHBondContact O-N 3.44Å; H170-L178 WeakPolarHBondContact O-CD1 3.45Å
171L98.1Very high97.6Very high13 Ų1358.8 Ų58.87%0.06827%0.274CS..Hα-helixtrans-62.6-37.3175.6-71.3169.9000112.8H2 V27 L102 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.76Å; H2-L171 HydrophobicContact CB-CD2 4.01Å; H2-L171 HydrophobicContact CB-CG 4.45Å; H2-L171 VanDerWaalsContact CG-CD2 3.49Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.47Å; V27-L171 HydrophobicContact CG1-CD2 4.12Å; L102-L171 HydrophobicContact CD1-CD1 4.3Å; L167-L171 HydrophobicContact CD1-CD1 3.9Å; L167-L171 HydrophobicContact CD1-CD2 4.43Å; L167-L171 HydrophobicContact CD1-CG 3.9Å; L167-L171 HydrophobicContact CG-CD1 4.09Å; L167-L171 WeakPolarHBondContact O-CB 3.21Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.17Å; L167-L171 PolarHBondContact O-N 2.96Å; R168-L171 PolarHBondContact O-N 3Å; L171-K175 VanDerWaalsContact O-CA 3.25Å; L171-K175 WeakPolarHBondContact O-CA 3.39Å; L171-K175 WeakPolarHBondContact O-CB 3.49Å; L171-K175 PolarHBondContact O-N 2.71Å; L171-K175 VanDerWaalsContact O-N 3.12Å; L171-L178 HydrophobicContact CD2-CB 4.08Å; L171-L178 HydrophobicContact CD2-CD1 4.4Å; L171-Q179 HydrophobicContact CD2-CG 4.5Å; L171-Q179 PolarHBondContact O-NE2 3Å
172E97.9Very high97.6Very high106 Ų10659.4 Ų59.450%0.49527%0.273SS..Hα-helixtrans-71-48.9174.7-178.154.9-14200111.2R168 R169 H170 G174 K175R168-E172 PolarHBondContact O-N 3.2Å; R169-E172 PolarHBondContact O-N 2.96Å; H170-E172 VanDerWaalsContact C-N 3.33Å; H170-E172 PolarHBondContact O-N 3.13Å; E172-G174 VanDerWaalsContact C-N 3.29Å; E172-G174 PolarHBondContact O-N 3.25Å; E172-K175 WeakPolarHBondContact O-CB 3.4Å; E172-K175 WeakPolarHBondContact O-CG 3.34Å; E172-K175 PolarHBondContact O-N 3.39Å; E172-K175 IonicContact OE1-NZ 3.74Å; E172-K175 PolarHBondContact OE1-NZ 2.68Å
173N98Very high97.7Very high47 Ų4759.2 Ų59.225%0.25128%0.276SS..Hα-helixtrans-60.9-38.8-179.7-66.5-12.1000112.2W50 Q53 E54 R169 H170W50-N173 HydrophobicContact CB-CB 4.41Å; Q53-N173 VanDerWaalsContact NE2-CB 3.34Å; Q53-N173 PolarHBondContact NE2-ND2 3.31Å; Q53-N173 PolarHBondContact NE2-OD1 3.44Å; Q53-N173 VanDerWaalsContact NE2-OD1 3.09Å; E54-N173 PolarHBondContact OE1-ND2 3.27Å; R169-N173 WeakPolarHBondContact O-CB 3.4Å; R169-N173 PolarHBondContact O-N 2.94Å; R169-N173 PolarHBondContact O-ND2 3.15Å; R169-N173 PolarHBondContact O-OD1 3.16Å; H170-N173 PolarHBondContact O-N 2.8Å
174G97.8Very high97.7Very high4 Ų459.7 Ų59.74%0.04128%0.279CS..THydrogen-bonded Turntrans-100.613.8-176.600000114.5H170 E172 E176 T177 L178H170-G174 WeakPolarHBondContact O-CA 3.42Å; H170-G174 PolarHBondContact O-N 3.44Å; E172-G174 VanDerWaalsContact C-N 3.29Å; E172-G174 PolarHBondContact O-N 3.25Å; G174-E176 VanDerWaalsContact C-N 3.26Å; G174-E176 PolarHBondContact O-N 3.4Å; G174-E176 VanDerWaalsContact O-N 3.08Å; G174-T177 CarbonylContact O-C 3.53Å; G174-T177 WeakPolarHBondContact O-CA 3.28Å; G174-T177 PolarHBondContact O-N 3.27Å; G174-T177 PolarHBondContact O-OG1 3.27Å; G174-L178 PolarHBondContact O-N 3.29Å
175K96.9Very high97.7Very high105 Ų10567 Ų6746%0.45731%0.31SS..Hα-helixtrans-51.9-37-168.766-173.9170.1-162.40115.3L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.25Å; L171-K175 WeakPolarHBondContact O-CA 3.39Å; L171-K175 WeakPolarHBondContact O-CB 3.49Å; L171-K175 PolarHBondContact O-N 2.71Å; L171-K175 VanDerWaalsContact O-N 3.12Å; E172-K175 WeakPolarHBondContact O-CB 3.4Å; E172-K175 WeakPolarHBondContact O-CG 3.34Å; E172-K175 PolarHBondContact O-N 3.39Å; E172-K175 IonicContact OE1-NZ 3.74Å; E172-K175 PolarHBondContact OE1-NZ 2.68Å; K175-T177 PolarHBondContact O-N 2.73Å; K175-T177 VanDerWaalsContact O-N 3.16Å; K175-Q179 WeakPolarHBondContact O-CB 3.22Å; K175-Q179 PolarHBondContact O-N 2.98Å
176E95.4Very high97.7Very high158 Ų15863.1 Ų63.174%0.73829%0.294SS*.Hα-helixtrans-62.7-23.8179.4-62.3-174.8169.800113.1G174 R180G174-E176 VanDerWaalsContact C-N 3.26Å; G174-E176 PolarHBondContact O-N 3.4Å; G174-E176 VanDerWaalsContact O-N 3.08Å; E176-R180 PolarHBondContact O-NH1 2.95Å
177T95.4Very high97.7Very high42 Ų4263.9 Ų63.926%0.25830%0.301SS..Hα-helixtrans-107.1-65.1178.455.40000110.4G174 K175 Q179 R180 R238G174-T177 CarbonylContact O-C 3.53Å; G174-T177 WeakPolarHBondContact O-CA 3.28Å; G174-T177 PolarHBondContact O-N 3.27Å; G174-T177 PolarHBondContact O-OG1 3.27Å; K175-T177 PolarHBondContact O-N 2.73Å; K175-T177 VanDerWaalsContact O-N 3.16Å; T177-Q179 VanDerWaalsContact C-N 3.29Å; T177-Q179 PolarHBondContact O-N 3.23Å; T177-R180 WeakPolarHBondContact O-CB 3.49Å; T177-R180 PolarHBondContact O-N 3.24Å; T177-R238 VanDerWaalsContact CB-NH1 3.3Å; T177-R238 PolarHBondContact O-NH1 3.41Å; T177-R238 PolarHBondContact O-NH2 3.49Å
178L96.6Very high97.7Very high4 Ų465 Ų652%0.02131%0.307CS..Hα-helixtrans-63.2-28.6-168.6-62.5174.2000114.3V27 T30 W50 H170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.3Å; V27-L178 HydrophobicContact CB-CD2 4.18Å; V27-L178 HydrophobicContact CG1-CD1 3.94Å; V27-L178 HydrophobicContact CG1-CD2 4.1Å; T30-L178 HydrophobicContact CG2-CD2 4.07Å; W50-L178 HydrophobicContact CD2-CD1 4.41Å; W50-L178 HydrophobicContact CH2-CD1 4.39Å; W50-L178 HydrophobicContact CZ2-CD1 3.83Å; W50-L178 HydrophobicContact CZ2-CD2 4.21Å; W50-L178 HydrophobicContact CZ2-CG 4.45Å; H170-L178 WeakPolarHBondContact O-CD1 3.45Å; L171-L178 HydrophobicContact CD2-CB 4.08Å; L171-L178 HydrophobicContact CD2-CD1 4.4Å; G174-L178 PolarHBondContact O-N 3.29Å
179Q95.8Very high97.7Very high110 Ų11060.9 Ų60.951%0.51430%0.295SS..THydrogen-bonded Turntrans-9910.9178.5-57.9-176.338.300112.7L171 K175 T177L171-Q179 HydrophobicContact CD2-CG 4.5Å; L171-Q179 PolarHBondContact O-NE2 3Å; K175-Q179 WeakPolarHBondContact O-CB 3.22Å; K175-Q179 PolarHBondContact O-N 2.98Å; T177-Q179 VanDerWaalsContact C-N 3.29Å; T177-Q179 PolarHBondContact O-N 3.23Å
180R97Very high97.7Very high112 Ų11257.9 Ų57.942%0.42329%0.286SS..  trans-107.9120.3177.9-168.8-175.876.8-141.15.9110.1E176 T177 D182 Y208E176-R180 PolarHBondContact O-NH1 2.95Å; T177-R180 WeakPolarHBondContact O-CB 3.49Å; T177-R180 PolarHBondContact O-N 3.24Å; R180-D182 IonicContact CZ-OD1 3.29Å; R180-D182 IonicContact CZ-OD2 2.7Å; R180-D182 IonicContact NE-OD1 3.84Å; R180-D182 PolarHBondContact NE-OD1 3.43Å; R180-D182 IonicContact NE-OD2 3.5Å; R180-D182 IonicContact NH2-OD1 3.5Å; R180-D182 PolarHBondContact NH2-OD1 3.14Å; R180-D182 IonicContact NH2-OD2 3.49Å; R180-D182 PolarHBondContact NH2-OD2 3.13Å; R180-Y208 WeakPolarHBondContact O-CD1 3.41Å
181A98.1Very high97.7Very high31 Ų3161.5 Ų61.526%0.25630%0.303SS..  trans-87.1126.4166.200000109.8Y208 E263A181-Y208 CarbonylContact C-O 3.56Å; A181-Y208 VanDerWaalsContact CA-O 3.28Å; A181-Y208 WeakPolarHBondContact CA-O 3.45Å; A181-E263 HydrophobicContact CB-CG 3.87Å; A181-E263 WeakPolarHBondContact CB-OE1 3.48Å
182D98.4Very high97.5Very high33 Ų3365.6 Ų65.618%0.17633%0.33CS..BIsolated β-bridgetrans-97.6114.6174.2-67.2-35000107.4R180 F207 Y208 H262R180-D182 IonicContact CZ-OD1 3.29Å; R180-D182 IonicContact CZ-OD2 2.7Å; R180-D182 IonicContact NE-OD1 3.84Å; R180-D182 PolarHBondContact NE-OD1 3.43Å; R180-D182 IonicContact NE-OD2 3.5Å; R180-D182 IonicContact NH2-OD1 3.5Å; R180-D182 PolarHBondContact NH2-OD1 3.14Å; R180-D182 IonicContact NH2-OD2 3.49Å; R180-D182 PolarHBondContact NH2-OD2 3.13Å; D182-F207 CarbonylContact O-C 3.54Å; D182-F207 WeakPolarHBondContact O-CA 3.48Å; D182-F207 WeakPolarHBondContact O-CB 3.09Å; D182-Y208 PolarHBondContact N-O 2.81Å; D182-Y208 PolarHBondContact O-N 3.27Å; D182-H262 PolarHBondContact O-CE1 3.18Å
183P98.6Very high97.4Very high62 Ų6265.1 Ų65.140%0.40333%0.334SS..  trans-70149.8-176.726.1-33000112.4K185 L265P183-K185 PolarHBondContact O-N 2.87Å; P183-L265 HydrophobicContact CB-CD2 3.9Å; P183-L265 HydrophobicContact CB-CG 4.41Å
184P98.8Very high97.2Very high9 Ų965.4 Ų65.46%0.05834%0.34CS..  trans-66.6135.7179.128.3-35.5000111.8T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 3.96Å; P184-T186 HydrophobicContact CG-CG2 4.13Å; P184-T186 PolarHBondContact O-N 2.84Å; P184-A204 HydrophobicContact CB-CB 3.83Å; P184-F207 HydrophobicContact CB-CB 3.86Å; P184-F207 HydrophobicContact CB-CD1 3.99Å; P184-F207 HydrophobicContact CB-CG 4.2Å; P184-I212 HydrophobicContact CB-CD1 4Å; P184-I212 HydrophobicContact CG-CD1 4.07Å; P184-V260 HydrophobicContact CG-CG1 3.93Å; P184-H262 HydrophobicContact CG-CB 4.04Å; P184-L265 HydrophobicContact CG-CD1 3.9Å; P184-L265 HydrophobicContact CG-CD2 4.48Å; P184-L265 HydrophobicContact CG-CG 4.26Å
185K98.8Very high96.9Very high158 Ų15872.4 Ų72.469%0.68738%0.377SS*.EExtended strand (participates in β ladder)trans-81.4112162.9-63.2174.8-172.9170.50107.9P183 L205P183-K185 PolarHBondContact O-N 2.87Å; K185-L205 PolarHBondContact N-O 2.79Å; K185-L205 PolarHBondContact O-N 3.21Å
186T98.8Very high96.8Very high35 Ų3574.3 Ų74.322%0.21539%0.387CS..EExtended strand (participates in β ladder)trans-111.6139.9-171.554.30000112.5P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 3.96Å; P184-T186 HydrophobicContact CG-CG2 4.13Å; P184-T186 PolarHBondContact O-N 2.84Å; T186-W203 WeakPolarHBondContact CA-O 3.21Å; T186-A204 HydrophobicContact CG2-CB 4.36Å; T186-V260 HydrophobicContact CG2-CB 4.31Å; T186-V260 HydrophobicContact CG2-CG1 4.05Å; T186-V260 HydrophobicContact CG2-CG2 3.96Å; T186-L269 HydrophobicContact CG2-CD1 4.26Å; T186-L271 WeakPolarHBondContact OG1-CD2 3.37Å
187H98.6Very high96.9Very high80 Ų8071.2 Ų71.237%0.3737%0.372SS..EExtended strand (participates in β ladder)trans-155.1160.4171.563.3-77.5000110.3W203H187-W203 VanDerWaalsContact CE1-CB 3.43Å; H187-W203 WeakPolarHBondContact CE1-CB 3.39Å; H187-W203 AromaticContact CE1-CD1 3.97Å; H187-W203 AromaticContact CE1-CG 3.71Å; H187-W203 PolarHBondContact N-O 3.08Å; H187-W203 AromaticContact NE2-CD1 3.51Å; H187-W203 AromaticContact NE2-CG 3.72Å; H187-W203 PolarHBondContact O-N 2.99Å
188V98.8Very high96.9Very high23 Ų2369.3 Ų69.314%0.13936%0.361CS..EExtended strand (participates in β ladder)trans-111.5130.4175.4-179.40000108.8L200 R201 C202 W216 L271 W273V188-L200 HydrophobicContact CG1-CB 4.4Å; V188-L200 HydrophobicContact CG1-CD2 4.45Å; V188-R201 CarbonylContact C-O 3.5Å; V188-R201 WeakPolarHBondContact CA-O 3.46Å; V188-C202 HydrophobicContact CG2-CB 4.48Å; V188-W216 HydrophobicContact CG1-CH2 3.86Å; V188-W216 HydrophobicContact CG1-CZ2 4.24Å; V188-W216 HydrophobicContact CG2-CH2 4.24Å; V188-L271 HydrophobicContact CG2-CB 3.85Å; V188-W273 HydrophobicContact CG1-CB 3.92Å
189T98.4Very high97Very high33 Ų3370.1 Ų70.120%0.20237%0.366CS..EExtended strand (participates in β ladder)trans-106.9148.4171650000110.5H191 L200 R201T189-H191 PolarHBondContact OG1-NE2 3.2Å; T189-L200 WeakPolarHBondContact O-CA 3.44Å; T189-R201 PolarHBondContact N-O 2.87Å; T189-R201 PolarHBondContact O-N 2.83Å
190H98.1Very high97.2Very high49 Ų4964.9 Ų64.923%0.22734%0.341CS..EExtended strand (participates in β ladder)trans-118.8128.2179.2170.8-92.9000109.7A198 T199 L200 E253 W273H190-A198 WeakPolarHBondContact NE2-CB 2.9Å; H190-T199 WeakPolarHBondContact CA-O 3.15Å; H190-L200 HydrophobicContact CB-CD2 4.07Å; H190-E253 IonicContact NE2-OE1 3.94Å; H190-W273 HydrophobicContact CB-CD2 3.84Å; H190-W273 VanDerWaalsContact CB-CE2 3.43Å; H190-W273 HydrophobicContact CB-CG 3.95Å; H190-W273 HydrophobicContact CB-CZ2 3.95Å; H190-W273 VanDerWaalsContact CB-NE1 3.3Å; H190-W273 AromaticContact CG-CE2 3.72Å; H190-W273 AromaticContact CG-CZ2 3.78Å; H190-W273 AromaticContact ND1-CZ2 3.85Å
191H96.9Very high97.3Very high78 Ų7862.1 Ų62.136%0.36133%0.331SS..EExtended strand (participates in β ladder)trans-130.1105.1-178.8-57.4-73.4000109.6T189 V193 A198 T199 R201T189-H191 PolarHBondContact OG1-NE2 3.2Å; H191-V193 PolarHBondContact O-N 3.17Å; H191-A198 CarbonylContact O-C 3.56Å; H191-A198 WeakPolarHBondContact O-CA 3.28Å; H191-T199 PolarHBondContact N-O 3Å; H191-T199 PolarHBondContact O-N 3.18Å; H191-R201 PolarHBondContact CD2-NH1 3.16Å; H191-R201 PolarHBondContact NE2-NH1 2.88Å
192P95.6Very high97.3Very high99 Ų9960.7 Ų60.764%0.64332%0.319SS*.EExtended strand (participates in β ladder)trans-57.7130.9172.7-21.531.7000110.6
193V94.1Very high97.3Very high96 Ų9661.3 Ų61.358%0.58232%0.319SS*.  trans-105.7-40.9176.8-178.90000110.1H191 E197 T199H191-V193 PolarHBondContact O-N 3.17Å; V193-E197 PolarHBondContact N-O 3.03Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.35Å
194S94.4Very high97.3Very high53 Ų5358.4 Ų58.437%0.37130%0.3SS..SBendtrans-147.1-179.3174.572.90000110.3H196 E197S194-H196 PolarHBondContact O-N 2.64Å; S194-H196 PolarHBondContact OG-N 3.36Å; S194-H196 VanDerWaalsContact OG-N 3.17Å; S194-E197 PolarHBondContact N-O 2.63Å; S194-E197 PolarHBondContact O-N 2.94Å; S194-E197 VanDerWaalsContact O-O 3.11Å; S194-E197 PolarHBondContact OG-N 3.24Å
195D91.9Very high97.3Very high151 Ų15160.5 Ų60.581%0.80731%0.31SS*.SBendtrans-62.1-20.5172.5-65.8-22.1000112.5S250D195-S250 PolarHBondContact O-OG 2.98Å; D195-S250 VanDerWaalsContact O-OG 3.05Å
196H94.8Very high97.3Very high145 Ų14554.2 Ų54.267%0.67129%0.29SS*.SBendtrans-106-15.8-174.3-55.4-50.9000114S194 P249 S250S194-H196 PolarHBondContact O-N 2.64Å; S194-H196 PolarHBondContact OG-N 3.36Å; S194-H196 VanDerWaalsContact OG-N 3.17Å; H196-P249 CarbonylContact O-C 3.55Å; H196-P249 WeakPolarHBondContact O-CA 3.19Å; H196-S250 PolarHBondContact O-N 2.82Å; H196-S250 PolarHBondContact O-OG 3.33Å
197E96.3Very high97.3Very high92 Ų9252.5 Ų52.543%0.4328%0.28SS..EExtended strand (participates in β ladder)trans-144.2145.5-170.7-66.2-179.3157.700112.8V193 S194 V247 V248 S250V193-E197 PolarHBondContact N-O 3.03Å; S194-E197 PolarHBondContact N-O 2.63Å; S194-E197 PolarHBondContact O-N 2.94Å; S194-E197 VanDerWaalsContact O-O 3.11Å; S194-E197 PolarHBondContact OG-N 3.24Å; E197-V247 HydrophobicContact CB-CG1 3.97Å; E197-V247 HydrophobicContact CG-CG1 4.2Å; E197-V248 VanDerWaalsContact CA-O 3.31Å; E197-V248 WeakPolarHBondContact CA-O 3.02Å; E197-S250 PolarHBondContact N-OG 2.86Å
198A97.4Very high97.3Very high2 Ų248.9 Ų48.92%0.01726%0.263CS..EExtended strand (participates in β ladder)trans-133.3155.6170.600000111.2H190 H191 V247 V248H190-A198 WeakPolarHBondContact NE2-CB 2.9Å; H191-A198 CarbonylContact O-C 3.56Å; H191-A198 WeakPolarHBondContact O-CA 3.28Å; A198-V247 WeakPolarHBondContact O-CA 3.19Å; A198-V248 PolarHBondContact N-O 2.83Å; A198-V248 PolarHBondContact O-N 3.08Å
199T98.4Very high97.3Very high21 Ų2148.7 Ų48.713%0.12926%0.262CS..EExtended strand (participates in β ladder)trans-95.2123.1170-55.90000109.7H190 H191 V193 A245 V246H190-T199 WeakPolarHBondContact CA-O 3.15Å; H191-T199 PolarHBondContact N-O 3Å; H191-T199 PolarHBondContact O-N 3.18Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.35Å; T199-A245 HydrophobicContact CG2-CB 3.92Å; T199-V246 WeakPolarHBondContact CA-O 3.29Å
200L98.7Very high97.3Very high0 Ų048 Ų480%026%0.26CS..EExtended strand (participates in β ladder)trans-93.9124.8164-62.2-176.3000108.9V188 T189 H190 W216 A245 V246 V248 E253 Y256 W273V188-L200 HydrophobicContact CG1-CB 4.4Å; V188-L200 HydrophobicContact CG1-CD2 4.45Å; T189-L200 WeakPolarHBondContact O-CA 3.44Å; H190-L200 HydrophobicContact CB-CD2 4.07Å; L200-W216 HydrophobicContact CB-CH2 3.68Å; L200-W216 HydrophobicContact CB-CZ2 3.74Å; L200-W216 HydrophobicContact CB-CZ3 4.46Å; L200-W216 HydrophobicContact CD1-CH2 4.01Å; L200-W216 HydrophobicContact CD1-CZ3 4.17Å; L200-W216 HydrophobicContact CG-CH2 4.49Å; L200-A245 CarbonylContact O-C 3.56Å; L200-A245 WeakPolarHBondContact O-CA 3.43Å; L200-V246 HydrophobicContact CB-CG2 4.21Å; L200-V246 PolarHBondContact N-O 2.99Å; L200-V246 PolarHBondContact O-N 2.94Å; L200-V248 HydrophobicContact CD1-CG1 3.98Å; L200-V248 HydrophobicContact CD1-CG2 4.06Å; L200-V248 HydrophobicContact CG-CG1 4.14Å; L200-V248 HydrophobicContact CG-CG2 3.86Å; L200-E253 HydrophobicContact CD1-CB 4.18Å; L200-E253 HydrophobicContact CD2-CG 4.33Å; L200-Y256 HydrophobicContact CD1-CG 4.48Å; L200-W273 HydrophobicContact CD2-CB 3.9Å; L200-W273 HydrophobicContact CD2-CG 4.16Å
201R98.8Very high97.3Very high55 Ų5552.6 Ų52.621%0.20828%0.281CS..EExtended strand (participates in β ladder)trans-119.9117.5177-175.3178.4-65.9114.30.1110.4V188 T189 H191 W203 W243 A245V188-R201 CarbonylContact C-O 3.5Å; V188-R201 WeakPolarHBondContact CA-O 3.46Å; T189-R201 PolarHBondContact N-O 2.87Å; T189-R201 PolarHBondContact O-N 2.83Å; H191-R201 PolarHBondContact CD2-NH1 3.16Å; H191-R201 PolarHBondContact NE2-NH1 2.88Å; R201-W203 VanDerWaalsContact CD-CZ2 3.42Å; R201-W203 VanDerWaalsContact CD-NE1 3.32Å; R201-W203 HydrophobicContact CG-CZ2 4.46Å; R201-W243 HydrophobicContact CG-CB 3.97Å; R201-W243 HydrophobicContact CG-CD2 4.14Å; R201-W243 HydrophobicContact CG-CE3 3.96Å; R201-W243 HydrophobicContact CG-CG 4.19Å; R201-A245 HydrophobicContact CB-CB 4.14Å; R201-A245 HydrophobicContact CG-CB 4.19Å
202C98.8Very high97.4Very high0 Ų049.4 Ų49.40%027%0.267CS..EExtended strand (participates in β ladder)trans-90.8121.8174.2-172.90000109.8V188 W216 W243 A244 C258V188-C202 HydrophobicContact CG2-CB 4.48Å; C202-W216 HydrophobicContact CB-CZ2 3.66Å; C202-W243 CarbonylContact O-C 3.58Å; C202-W243 WeakPolarHBondContact O-CA 3.37Å; C202-W243 VanDerWaalsContact O-CB 3.25Å; C202-W243 WeakPolarHBondContact O-CB 3.43Å; C202-A244 PolarHBondContact N-O 3.31Å; C202-A244 PolarHBondContact O-N 3.49Å; C202-C258 HydrophobicContact CB-CB 3.49Å; C202-C258 VanDerWaalsContact CB-CB 3.49Å; C202-C258 WeakPolarHBondContact CB-SG 3.46Å; C202-C258 WeakPolarHBondContact SG-CB 3.45Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 2.9Å
203W98.8Very high97.5Very high47 Ų4747.5 Ų47.518%0.17825%0.253CS..EExtended strand (participates in β ladder)trans-103.4142.9179.5-71.890.6000111T186 H187 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.21Å; H187-W203 VanDerWaalsContact CE1-CB 3.43Å; H187-W203 WeakPolarHBondContact CE1-CB 3.39Å; H187-W203 AromaticContact CE1-CD1 3.97Å; H187-W203 AromaticContact CE1-CG 3.71Å; H187-W203 PolarHBondContact N-O 3.08Å; H187-W203 AromaticContact NE2-CD1 3.51Å; H187-W203 AromaticContact NE2-CG 3.72Å; H187-W203 PolarHBondContact O-N 2.99Å; R201-W203 VanDerWaalsContact CD-CZ2 3.42Å; R201-W203 VanDerWaalsContact CD-NE1 3.32Å; R201-W203 HydrophobicContact CG-CZ2 4.46Å; W203-L205 HydrophobicContact CE3-CD2 3.84Å; W203-L205 HydrophobicContact CZ3-CD2 4.34Å; W203-W243 HydrophobicContact CD2-CB 3.93Å; W203-W243 HydrophobicContact CD2-CG 4.47Å; W203-W243 HydrophobicContact CE3-CB 3.87Å; W203-W243 AromaticContact CE3-CD1 3.93Å; W203-W243 HydrophobicContact CE3-CG 4.24Å; W203-W243 HydrophobicContact CG-CB 4.38Å; W203-W243 AromaticContact CH2-CD1 3.53Å; W203-W243 HydrophobicContact CH2-CG 4.22Å; W203-W243 HydrophobicContact CZ2-CG 4.44Å; W203-W243 HydrophobicContact CZ3-CB 4.26Å; W203-W243 AromaticContact CZ3-CD1 3.43Å; W203-W243 VanDerWaalsContact CZ3-CD1 3.43Å; W203-W243 HydrophobicContact CZ3-CG 4.13Å
204A98.9Very high97.7Very high0 Ų043.2 Ų43.20%023%0.227CC..EExtended strand (participates in β ladder)trans-126.3123.2161.900000108.2P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.83Å; T186-A204 HydrophobicContact CG2-CB 4.36Å; A204-F207 HydrophobicContact CB-CD1 4.07Å; A204-F207 HydrophobicContact CB-CE1 3.87Å; A204-F207 WeakPolarHBondContact O-CE1 3.44Å; A204-I212 HydrophobicContact CB-CD1 3.6Å; A204-L214 HydrophobicContact CB-CD1 3.93Å; A204-L214 HydrophobicContact CB-CD2 4.1Å; A204-Q241 VanDerWaalsContact O-CA 3.3Å; A204-Q241 WeakPolarHBondContact O-CA 3.29Å; A204-K242 PolarHBondContact N-O 3.29Å; A204-K242 PolarHBondContact O-N 3.49Å; A204-K242 VanDerWaalsContact O-O 3.12Å
205L98.8Very high97.9Very high54 Ų5442.7 Ų42.728%0.28322%0.222SC..EExtended strand (participates in β ladder)trans-129.9149.3-175.1-59.2177.1000111.1K185 W203 F207 Q241K185-L205 PolarHBondContact N-O 2.79Å; K185-L205 PolarHBondContact O-N 3.21Å; W203-L205 HydrophobicContact CE3-CD2 3.84Å; W203-L205 HydrophobicContact CZ3-CD2 4.34Å; L205-F207 VanDerWaalsContact C-N 3.32Å; L205-F207 PolarHBondContact O-N 3.26Å; L205-Q241 HydrophobicContact CD2-CB 3.57Å
206G98.4Very high98.3Very high25 Ų2535.5 Ų35.526%0.25818%0.183SC..EExtended strand (participates in β ladder)trans70.327.2167.500000114T239 F240G206-T239 WeakPolarHBondContact CA-OG1 3.45Å; G206-F240 PolarHBondContact N-O 2.79Å
207F98.8Very high98.4Very high0 Ų030.6 Ų30.60%016%0.161CC..EExtended strand (participates in β ladder)trans-99153.3-178.860.8-88.8000112.7D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262D182-F207 CarbonylContact O-C 3.54Å; D182-F207 WeakPolarHBondContact O-CA 3.48Å; D182-F207 WeakPolarHBondContact O-CB 3.09Å; P184-F207 HydrophobicContact CB-CB 3.86Å; P184-F207 HydrophobicContact CB-CD1 3.99Å; P184-F207 HydrophobicContact CB-CG 4.2Å; A204-F207 HydrophobicContact CB-CD1 4.07Å; A204-F207 HydrophobicContact CB-CE1 3.87Å; A204-F207 WeakPolarHBondContact O-CE1 3.44Å; L205-F207 VanDerWaalsContact C-N 3.32Å; L205-F207 PolarHBondContact O-N 3.26Å; F207-P209 VanDerWaalsContact CD2-O 3.29Å; F207-P209 WeakPolarHBondContact CD2-O 3.4Å; F207-I212 HydrophobicContact CD1-CD1 3.86Å; F207-I212 HydrophobicContact CD2-CB 4.25Å; F207-I212 HydrophobicContact CD2-CD1 3.97Å; F207-I212 HydrophobicContact CE1-CD1 3.78Å; F207-I212 HydrophobicContact CE1-CG2 4.45Å; F207-I212 HydrophobicContact CE2-CB 3.74Å; F207-I212 HydrophobicContact CE2-CD1 3.92Å; F207-I212 HydrophobicContact CE2-CG1 4.41Å; F207-I212 HydrophobicContact CE2-CG2 3.6Å; F207-I212 HydrophobicContact CG-CD1 3.96Å; F207-I212 HydrophobicContact CZ-CB 4.12Å; F207-I212 HydrophobicContact CZ-CD1 3.85Å; F207-I212 HydrophobicContact CZ-CG2 3.56Å; F207-T232 HydrophobicContact CE2-CG2 4.06Å; F207-T232 HydrophobicContact CZ-CG2 3.86Å; F207-T239 CarbonylContact O-C 3.59Å; F207-T239 WeakPolarHBondContact O-CA 3.48Å; F207-F240 VanDerWaalsContact CD1-O 3.28Å; F207-F240 WeakPolarHBondContact CD1-O 3.28Å; F207-F240 HydrophobicContact CD2-CB 3.95Å; F207-F240 HydrophobicContact CE1-CB 4.21Å; F207-F240 WeakPolarHBondContact CE1-O 3.49Å; F207-F240 HydrophobicContact CE2-CB 3.48Å; F207-F240 VanDerWaalsContact CE2-CB 3.48Å; F207-F240 HydrophobicContact CE2-CG 4.45Å; F207-F240 HydrophobicContact CG-CB 4.45Å; F207-F240 HydrophobicContact CZ-CB 3.62Å; F207-F240 PolarHBondContact N-O 3.46Å; F207-F240 PolarHBondContact O-N 2.97Å; F207-K242 HydrophobicContact CE1-CB 4.34Å; F207-K242 HydrophobicContact CZ-CB 4.12Å; F207-H262 AromaticContact CD2-CD2 3.83Å; F207-H262 AromaticContact CD2-NE2 3.78Å
208Y98.6Very high98.5Very high3 Ų329.7 Ų29.71%0.01215%0.153CC..BIsolated β-bridgetrans-148.9137.7171.5177.5-82.1000108.3D29 T30 R180 A181 D182 R238 F240 H262D29-Y208 HydrophobicContact CB-CE2 3.8Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.23Å; T30-Y208 PolarHBondContact OG1-OH 3.11Å; R180-Y208 WeakPolarHBondContact O-CD1 3.41Å; A181-Y208 CarbonylContact C-O 3.56Å; A181-Y208 VanDerWaalsContact CA-O 3.28Å; A181-Y208 WeakPolarHBondContact CA-O 3.45Å; D182-Y208 PolarHBondContact N-O 2.81Å; D182-Y208 PolarHBondContact O-N 3.27Å; Y208-R238 HydrophobicContact CD2-CG 3.88Å; Y208-R238 HydrophobicContact CE2-CG 4.05Å; Y208-F240 HydrophobicContact CD2-CE2 4.1Å; Y208-H262 PolarHBondContact O-CE1 3.17Å; Y208-H262 PolarHBondContact O-NE2 3.21Å
209P98.4Very high98.5Very high19 Ų1934.4 Ų34.412%0.12318%0.178CC..SBendcis-70.8-177.6-029.9-37.3000113.7D29 F207 E211 H262 E263D29-P209 WeakPolarHBondContact OD2-CB 3.39Å; F207-P209 VanDerWaalsContact CD2-O 3.29Å; F207-P209 WeakPolarHBondContact CD2-O 3.4Å; P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 2.63Å; P209-H262 PolarHBondContact O-NE2 3.07Å; P209-E263 VanDerWaalsContact CD-CD 3.43Å; P209-E263 WeakPolarHBondContact CD-OE1 3.35Å; P209-E263 HydrophobicContact CG-CG 3.88Å; P209-E263 WeakPolarHBondContact CG-OE1 3.33Å
210A98.4Very high98.3Very high19 Ų1935.6 Ų35.616%0.15720%0.195CC..SBendtrans-70.8-23.2-176.500000113.9D29 I212 T232 F240D29-A210 WeakPolarHBondContact OD2-CB 3.36Å; D29-A210 PolarHBondContact OD2-N 3.19Å; A210-I212 PolarHBondContact O-N 2.96Å; A210-T232 HydrophobicContact CB-CG2 4.32Å; A210-F240 HydrophobicContact CB-CD1 3.77Å; A210-F240 HydrophobicContact CB-CD2 3.77Å; A210-F240 HydrophobicContact CB-CE1 3.67Å; A210-F240 HydrophobicContact CB-CE2 3.69Å; A210-F240 HydrophobicContact CB-CG 3.83Å; A210-F240 HydrophobicContact CB-CZ 3.65Å
211E98.4Very high98.3Very high145 Ų14542.6 Ų42.668%0.67823%0.228SC*.  trans-66.6117.9-178.8-173.458.4-143.500110.5P209 H262P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 2.63Å; E211-H262 PolarHBondContact O-CD2 2.9Å; E211-H262 VanDerWaalsContact O-CD2 3.31Å
212I98.7Very high98.2Very high12 Ų1244.2 Ų44.26%0.06224%0.241CC..  trans-153.4143.8-178.6-162.6172000109.7P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 4Å; P184-I212 HydrophobicContact CG-CD1 4.07Å; A204-I212 HydrophobicContact CB-CD1 3.6Å; F207-I212 HydrophobicContact CD1-CD1 3.86Å; F207-I212 HydrophobicContact CD2-CB 4.25Å; F207-I212 HydrophobicContact CD2-CD1 3.97Å; F207-I212 HydrophobicContact CE1-CD1 3.78Å; F207-I212 HydrophobicContact CE1-CG2 4.45Å; F207-I212 HydrophobicContact CE2-CB 3.74Å; F207-I212 HydrophobicContact CE2-CD1 3.92Å; F207-I212 HydrophobicContact CE2-CG1 4.41Å; F207-I212 HydrophobicContact CE2-CG2 3.6Å; F207-I212 HydrophobicContact CG-CD1 3.96Å; F207-I212 HydrophobicContact CZ-CB 4.12Å; F207-I212 HydrophobicContact CZ-CD1 3.85Å; F207-I212 HydrophobicContact CZ-CG2 3.56Å; A210-I212 PolarHBondContact O-N 2.96Å; I212-L214 HydrophobicContact CB-CD1 4.44Å; I212-L214 HydrophobicContact CD1-CD1 3.58Å; I212-L214 HydrophobicContact CG1-CD1 3.63Å; I212-L214 HydrophobicContact CG2-CD1 4.06Å; I212-K242 HydrophobicContact CG2-CB 4.31Å; I212-K242 HydrophobicContact CG2-CD 3.61Å; I212-V260 HydrophobicContact CD1-CG1 4.06Å; I212-V260 HydrophobicContact CG1-CG1 4.35Å; I212-Q261 VanDerWaalsContact CG1-O 3.28Å; I212-Q261 WeakPolarHBondContact CG1-O 3.31Å; I212-H262 HydrophobicContact CD1-CB 4.44Å; I212-H262 HydrophobicContact CG1-CB 4.16Å
213T98.6Very high98.1Very high58 Ų5845.6 Ų45.636%0.35625%0.247SC..EExtended strand (participates in β ladder)trans-113.8123.8172.3-60.60000110T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 3.98Å; T213-V260 WeakPolarHBondContact O-CA 3.46Å; T213-Q261 PolarHBondContact N-O 3.19Å; T213-Q261 PolarHBondContact O-N 3.03Å
214L98.6Very high97.9Very high7 Ų748.6 Ų48.64%0.03727%0.27CS..EExtended strand (participates in β ladder)trans-119.4121.1172.1-87.766.5000108.2A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 3.93Å; A204-L214 HydrophobicContact CB-CD2 4.1Å; I212-L214 HydrophobicContact CB-CD1 4.44Å; I212-L214 HydrophobicContact CD1-CD1 3.58Å; I212-L214 HydrophobicContact CG1-CD1 3.63Å; I212-L214 HydrophobicContact CG2-CD1 4.06Å; L214-L229 HydrophobicContact CB-CD1 4.29Å; L214-K242 HydrophobicContact CD1-CD 4.31Å; L214-K242 HydrophobicContact CD2-CB 4.42Å; L214-K242 HydrophobicContact CD2-CG 4.5Å; L214-A244 HydrophobicContact CB-CB 4.04Å; L214-A244 HydrophobicContact CD2-CB 4.35Å; L214-H259 WeakPolarHBondContact CA-O 3.33Å; L214-V260 HydrophobicContact CD1-CG1 4.11Å; L214-V260 HydrophobicContact CG-CG2 4.34Å
215T98.5Very high97.7Very high41 Ų4157.6 Ų57.625%0.25231%0.313SS..EExtended strand (participates in β ladder)trans-132146176.557.30000111.3T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 3.98Å; T215-C258 CarbonylContact O-C 3.59Å; T215-C258 WeakPolarHBondContact O-CA 3.5Å; T215-H259 PolarHBondContact N-O 2.99Å; T215-H259 PolarHBondContact O-N 2.87Å
216W98.7Very high97.5Very high1 Ų160.4 Ų60.40%0.00433%0.328CS..EExtended strand (participates in β ladder)trans-100.7137.2168-82.8105000109.9V188 L200 C202 Q223 A244 V246 T257 C258V188-W216 HydrophobicContact CG1-CH2 3.86Å; V188-W216 HydrophobicContact CG1-CZ2 4.24Å; V188-W216 HydrophobicContact CG2-CH2 4.24Å; L200-W216 HydrophobicContact CB-CH2 3.68Å; L200-W216 HydrophobicContact CB-CZ2 3.74Å; L200-W216 HydrophobicContact CB-CZ3 4.46Å; L200-W216 HydrophobicContact CD1-CH2 4.01Å; L200-W216 HydrophobicContact CD1-CZ3 4.17Å; L200-W216 HydrophobicContact CG-CH2 4.49Å; C202-W216 HydrophobicContact CB-CZ2 3.66Å; W216-Q223 HydrophobicContact CB-CB 4.34Å; W216-Q223 PolarHBondContact O-N 3.32Å; W216-A244 PolarHBondContact NE1-O 2.96Å; W216-V246 HydrophobicContact CB-CG1 3.68Å; W216-V246 HydrophobicContact CB-CG2 4.35Å; W216-V246 HydrophobicContact CD2-CG1 4.45Å; W216-V246 HydrophobicContact CD2-CG2 3.65Å; W216-V246 HydrophobicContact CE3-CG2 4.07Å; W216-V246 HydrophobicContact CG-CB 4.39Å; W216-V246 HydrophobicContact CG-CG1 3.68Å; W216-V246 HydrophobicContact CG-CG2 3.78Å; W216-V246 HydrophobicContact CZ2-CG2 4.41Å; W216-T257 WeakPolarHBondContact CA-O 3.48Å; W216-C258 HydrophobicContact CD2-CB 4.17Å; W216-C258 HydrophobicContact CE3-CB 4.13Å; W216-C258 HydrophobicContact CH2-CB 4.01Å; W216-C258 HydrophobicContact CZ2-CB 4.06Å; W216-C258 HydrophobicContact CZ3-CB 4.05Å
217Q98.6Very high97.4Very high41 Ų4160.4 Ų60.419%0.19232%0.323CS..EExtended strand (participates in β ladder)trans-119.6144.6170.7-70-174.3-9.700110.2E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.56Å; Q217-E221 WeakPolarHBondContact CA-O 3.33Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.41Å; Q217-D222 PolarHBondContact NE2-OD1 3.02Å; Q217-Y256 CarbonylContact O-C 3.59Å; Q217-Y256 VanDerWaalsContact O-CA 3.23Å; Q217-Y256 WeakPolarHBondContact O-CA 3.34Å; Q217-T257 PolarHBondContact N-O 2.92Å; Q217-T257 PolarHBondContact O-N 2.66Å; Q217-H259 PolarHBondContact OE1-NE2 3Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.13Å
218R98.2Very high97.4Very high73 Ų7365.9 Ų65.928%0.27535%0.348SS..EExtended strand (participates in β ladder)trans-116.2119.5167.7-176.1-171.5-175.1-179.90.4108G220 E221 Q223 E252 R255 Y256R218-G220 PolarHBondContact O-N 3.48Å; R218-E221 PolarHBondContact N-O 2.79Å; R218-E221 PolarHBondContact O-N 2.84Å; R218-Q223 HydrophobicContact CB-CG 4.01Å; R218-E252 IonicContact CZ-OE2 2.68Å; R218-E252 IonicContact NE-OE2 3.75Å; R218-E252 IonicContact NH2-OE1 2.78Å; R218-E252 IonicContact NH2-OE2 3.67Å; R218-E252 PolarHBondContact NH2-OE2 2.85Å; R218-R255 WeakPolarHBondContact CA-O 3.45Å; R218-R255 HydrophobicContact CG-CB 4.41Å; R218-Y256 HydrophobicContact CB-CD1 4.07Å; R218-Y256 HydrophobicContact CB-CE1 3.84Å; R218-Y256 WeakPolarHBondContact CD-OH 3.39Å; R218-Y256 HydrophobicContact CG-CD1 4.43Å; R218-Y256 HydrophobicContact CG-CD2 4.47Å; R218-Y256 HydrophobicContact CG-CE1 4.02Å; R218-Y256 HydrophobicContact CG-CE2 4.03Å
219D97.1Very high97.4Very high101 Ų10170 Ų7054%0.5437%0.37SS..THydrogen-bonded Turntrans51.328.7-175.1-52.9-49.6000114R255D219-R255 PolarHBondContact N-O 3.38Å; D219-R255 WeakPolarHBondContact OD1-CB 3.33Å; D219-R255 IonicContact OD1-NE 3.66Å; D219-R255 PolarHBondContact OD1-NE 2.89Å; D219-R255 IonicContact OD2-CZ 2.79Å; D219-R255 IonicContact OD2-NE 3.46Å; D219-R255 PolarHBondContact OD2-NE 2.83Å; D219-R255 IonicContact OD2-NH2 3.56Å; D219-R255 PolarHBondContact OD2-NH2 2.98Å
220G94.2Very high97.4Very high47 Ų4770.6 Ų70.649%0.48537%0.373SS..THydrogen-bonded Turntrans91.5-1.6-177.800000115.7R218R218-G220 PolarHBondContact O-N 3.48Å
221E97.5Very high97.4Very high146 Ų14677.7 Ų77.768%0.68240%0.404SS*.EExtended strand (participates in β ladder)trans-99.1128.5177.6-63.1-171.4170.900112.3Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.56Å; Q217-E221 WeakPolarHBondContact CA-O 3.33Å; R218-E221 PolarHBondContact N-O 2.79Å; R218-E221 PolarHBondContact O-N 2.84Å; E221-Q223 PolarHBondContact O-NE2 2.83Å
222D97.3Very high97.4Very high90 Ų9073 Ų7348%0.48139%0.385SS..EExtended strand (participates in β ladder)trans-62132.2-179.2-72.2-18.1000112.4Q217Q217-D222 WeakPolarHBondContact CG-OD1 3.41Å; Q217-D222 PolarHBondContact NE2-OD1 3.02Å
223Q97.1Very high97.4Very high28 Ų2876.9 Ų76.913%0.13140%0.399CS..  trans-101.341.4-177.3-57.9-60.8-73.200112.2W216 R218 E221 Q225 D226 T227 V246 Y256W216-Q223 HydrophobicContact CB-CB 4.34Å; W216-Q223 PolarHBondContact O-N 3.32Å; R218-Q223 HydrophobicContact CB-CG 4.01Å; E221-Q223 PolarHBondContact O-NE2 2.83Å; Q223-Q225 VanDerWaalsContact C-N 3.31Å; Q223-Q225 PolarHBondContact O-N 2.74Å; Q223-D226 PolarHBondContact O-N 3Å; Q223-T227 WeakPolarHBondContact O-CB 3.41Å; Q223-T227 PolarHBondContact O-N 2.82Å; Q223-T227 PolarHBondContact O-OG1 2.02Å; Q223-V246 HydrophobicContact CB-CG1 4.36Å; Q223-Y256 HydrophobicContact CG-CE1 4.45Å
224T94.4Very high97.3Very high110 Ų11078.7 Ų78.768%0.67541%0.411SS*.THydrogen-bonded Turntrans-59.1-37-169.4-50.10000113.9
225Q94.8Very high97.3Very high190 Ų19080.8 Ų80.889%0.88843%0.429SS*.THydrogen-bonded Turntrans-75.6-30.6-178.9-65.9-173.6-0.100112.8Q223Q223-Q225 VanDerWaalsContact C-N 3.31Å; Q223-Q225 PolarHBondContact O-N 2.74Å
226D94.1Very high97.2Very high113 Ų11382.5 Ų82.560%0.60446%0.456SS*.THydrogen-bonded Turntrans-95.5-1.8-176.9-54.9-60.6000112.7Q223Q223-D226 PolarHBondContact O-N 3Å
227T97.6Very high97.1Very high24 Ų2487.7 Ų87.715%0.14748%0.483CS..  trans-90.9119.7179.3-62.60000110.7Q223 L229 A244 A245 V246Q223-T227 WeakPolarHBondContact O-CB 3.41Å; Q223-T227 PolarHBondContact O-N 2.82Å; Q223-T227 PolarHBondContact O-OG1 2.02Å; T227-L229 HydrophobicContact CG2-CB 4.38Å; T227-L229 PolarHBondContact O-N 3.38Å; T227-A244 HydrophobicContact CG2-CB 3.88Å; T227-A245 CarbonylContact C-O 3.55Å; T227-A245 WeakPolarHBondContact CA-O 2.93Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.36Å
228E98.1Very high96.9Very high115 Ų11588.5 Ų88.554%0.53749%0.485SS..EExtended strand (participates in β ladder)trans-76.4113.2162.6-172.5-174.6-173.500108.9W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.14Å; E228-W243 HydrophobicContact CG-CH2 3.83Å; E228-W243 HydrophobicContact CG-CZ3 3.83Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.29Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.28Å; E228-A244 CarbonylContact O-C 3.56Å; E228-A244 WeakPolarHBondContact O-CA 3.44Å; E228-A245 HydrophobicContact CB-CB 4.48Å; E228-A245 PolarHBondContact N-O 2.96Å; E228-A245 PolarHBondContact O-N 3.01Å
229L98.1Very high97Very high89 Ų8985.8 Ų85.847%0.46648%0.476SS..EExtended strand (participates in β ladder)trans-120.4117.1-178.2-172.567.7000110.2L214 T227 K242 A244L214-L229 HydrophobicContact CB-CD1 4.29Å; T227-L229 HydrophobicContact CG2-CB 4.38Å; T227-L229 PolarHBondContact O-N 3.38Å; L229-K242 HydrophobicContact CD1-CD 4.46Å; L229-A244 HydrophobicContact CD1-CB 3.61Å
230V98.1Very high97Very high32 Ų3282.3 Ų82.319%0.19446%0.456CS..PPolyproline II helixtrans-80.7153.6176.3-65.70000112.2K242 W243V230-K242 HydrophobicContact CG2-CG 4.42Å; V230-K242 WeakPolarHBondContact O-CE 3.44Å; V230-K242 PolarHBondContact O-NZ 2.93Å; V230-W243 HydrophobicContact CB-CZ2 4.42Å; V230-W243 HydrophobicContact CG1-CD2 3.98Å; V230-W243 HydrophobicContact CG1-CE3 4.37Å; V230-W243 HydrophobicContact CG1-CH2 3.66Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.21Å; V230-W243 HydrophobicContact CG2-CD2 3.82Å; V230-W243 HydrophobicContact CG2-CG 3.77Å; V230-W243 HydrophobicContact CG2-CZ2 4.47Å; V230-W243 WeakPolarHBondContact CG2-O 3.44Å; V230-W243 PolarHBondContact N-O 3.11Å
231E98.1Very high97.3Very high169 Ų16982.2 Ų82.279%0.7944%0.444SS*.PPolyproline II helixtrans-56.1145.7166.6-68.6-173.8173.700111.1R233E231-R233 PolarHBondContact O-N 2.97Å
232T98.6Very high97.3Very high46 Ų4676.3 Ų76.328%0.28242%0.416SS..PPolyproline II helixtrans-66.3128.5172.5-56.90000108.4F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.06Å; F207-T232 HydrophobicContact CZ-CG2 3.86Å; A210-T232 HydrophobicContact CB-CG2 4.32Å; T232-F240 HydrophobicContact CG2-CB 3.8Å; T232-F240 HydrophobicContact CG2-CD1 3.9Å; T232-F240 HydrophobicContact CG2-CG 4.12Å; T232-K242 WeakPolarHBondContact OG1-CD 3.39Å; T232-K242 PolarHBondContact OG1-NZ 2.68Å
233R98.5Very high97.4Very high94 Ų9473.2 Ų73.236%0.35540%0.397SS..EExtended strand (participates in β ladder)trans-126.8144.9-173.568.2-169.1-177.4-163.40.1111.6E231 F240 Q241E231-R233 PolarHBondContact O-N 2.97Å; R233-F240 WeakPolarHBondContact O-CA 3.31Å; R233-Q241 HydrophobicContact CG-CG 3.58Å; R233-Q241 PolarHBondContact N-O 2.7Å; R233-Q241 VanDerWaalsContact NE-NE2 3.19Å; R233-Q241 WeakPolarHBondContact O-CG 3.45Å; R233-Q241 PolarHBondContact O-N 3.32Å
234P98.3Very high97.5Very high95 Ų9571.9 Ų71.962%0.61739%0.391SS*.EExtended strand (participates in β ladder)trans-70145.2179.629.3-34.9000111.2F240P234-F240 HydrophobicContact CB-CE1 4.35Å
235A97.8Very high97.7Very high51 Ų5166.8 Ų66.842%0.42136%0.36SS..  trans-88.8-15.8172.500000113D237 T239A235-D237 WeakPolarHBondContact CB-OD1 3.18Å; A235-T239 WeakPolarHBondContact CB-O 3.37Å; A235-T239 WeakPolarHBondContact CB-OG1 3.47Å; A235-T239 PolarHBondContact N-O 3.37Å
236G96.2Very high97.8Very high78 Ų7857.9 Ų57.980%0.80432%0.318SS*.SBendtrans94.7-4.6-179.900000114.7
237D96.2Very high98Very high109 Ų10956.3 Ų56.358%0.58331%0.313SS*.SBendtrans-115.729.9-179.665-3000112.1A235 T239A235-D237 WeakPolarHBondContact CB-OD1 3.18Å; D237-T239 PolarHBondContact O-N 2.8Å; D237-T239 WeakPolarHBondContact OD1-CB 3.39Å; D237-T239 PolarHBondContact OD1-N 3.08Å; D237-T239 VanDerWaalsContact OD1-N 3.08Å; D237-T239 PolarHBondContact OD1-OG1 3.32Å
238R95.8Very high98Very high58 Ų5855.2 Ų55.222%0.21931%0.306CS..SBendtrans76.4-21.4-169.5-174.3-177.2174-131.6-11.7115T30 T177 Y208T30-R238 PolarHBondContact OG1-NE 3.01Å; T177-R238 VanDerWaalsContact CB-NH1 3.3Å; T177-R238 PolarHBondContact O-NH1 3.41Å; T177-R238 PolarHBondContact O-NH2 3.49Å; Y208-R238 HydrophobicContact CD2-CG 3.88Å; Y208-R238 HydrophobicContact CE2-CG 4.05Å
239T98.4Very high98Very high17 Ų1751.9 Ų51.910%0.10429%0.294CS..  trans-85.9169.3-178.275.30000113G206 F207 A235 D237G206-T239 WeakPolarHBondContact CA-OG1 3.45Å; F207-T239 CarbonylContact O-C 3.59Å; F207-T239 WeakPolarHBondContact O-CA 3.48Å; A235-T239 WeakPolarHBondContact CB-O 3.37Å; A235-T239 WeakPolarHBondContact CB-OG1 3.47Å; A235-T239 PolarHBondContact N-O 3.37Å; D237-T239 PolarHBondContact O-N 2.8Å; D237-T239 WeakPolarHBondContact OD1-CB 3.39Å; D237-T239 PolarHBondContact OD1-N 3.08Å; D237-T239 VanDerWaalsContact OD1-N 3.08Å; D237-T239 PolarHBondContact OD1-OG1 3.32Å
240F98.8Very high97.9Very high27 Ų2750.4 Ų50.412%0.11829%0.291CS..EExtended strand (participates in β ladder)trans-119.3163.2179.8-64.2-88000111.7D29 G206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.81Å; D29-F240 HydrophobicContact CB-CZ 3.79Å; G206-F240 PolarHBondContact N-O 2.79Å; F207-F240 VanDerWaalsContact CD1-O 3.28Å; F207-F240 WeakPolarHBondContact CD1-O 3.28Å; F207-F240 HydrophobicContact CD2-CB 3.95Å; F207-F240 HydrophobicContact CE1-CB 4.21Å; F207-F240 WeakPolarHBondContact CE1-O 3.49Å; F207-F240 HydrophobicContact CE2-CB 3.48Å; F207-F240 VanDerWaalsContact CE2-CB 3.48Å; F207-F240 HydrophobicContact CE2-CG 4.45Å; F207-F240 HydrophobicContact CG-CB 4.45Å; F207-F240 HydrophobicContact CZ-CB 3.62Å; F207-F240 PolarHBondContact N-O 3.46Å; F207-F240 PolarHBondContact O-N 2.97Å; Y208-F240 HydrophobicContact CD2-CE2 4.1Å; A210-F240 HydrophobicContact CB-CD1 3.77Å; A210-F240 HydrophobicContact CB-CD2 3.77Å; A210-F240 HydrophobicContact CB-CE1 3.67Å; A210-F240 HydrophobicContact CB-CE2 3.69Å; A210-F240 HydrophobicContact CB-CG 3.83Å; A210-F240 HydrophobicContact CB-CZ 3.65Å; T232-F240 HydrophobicContact CG2-CB 3.8Å; T232-F240 HydrophobicContact CG2-CD1 3.9Å; T232-F240 HydrophobicContact CG2-CG 4.12Å; R233-F240 WeakPolarHBondContact O-CA 3.31Å; P234-F240 HydrophobicContact CB-CE1 4.35Å
241Q98.8Very high97.7Very high46 Ų4652 Ų5222%0.21532%0.315CS..EExtended strand (participates in β ladder)trans-140.2146.9173.744.9166.8-19.800110.1A204 L205 R233A204-Q241 VanDerWaalsContact O-CA 3.3Å; A204-Q241 WeakPolarHBondContact O-CA 3.29Å; L205-Q241 HydrophobicContact CD2-CB 3.57Å; R233-Q241 HydrophobicContact CG-CG 3.58Å; R233-Q241 PolarHBondContact N-O 2.7Å; R233-Q241 VanDerWaalsContact NE-NE2 3.19Å; R233-Q241 WeakPolarHBondContact O-CG 3.45Å; R233-Q241 PolarHBondContact O-N 3.32Å
242K98.8Very high97.7Very high22 Ų2246.5 Ų46.510%0.09629%0.289CS..EExtended strand (participates in β ladder)trans-151.3154.1176.9-163-177.1-171.970.30109A204 F207 I212 L214 L229 V230 T232A204-K242 PolarHBondContact N-O 3.29Å; A204-K242 PolarHBondContact O-N 3.49Å; A204-K242 VanDerWaalsContact O-O 3.12Å; F207-K242 HydrophobicContact CE1-CB 4.34Å; F207-K242 HydrophobicContact CZ-CB 4.12Å; I212-K242 HydrophobicContact CG2-CB 4.31Å; I212-K242 HydrophobicContact CG2-CD 3.61Å; L214-K242 HydrophobicContact CD1-CD 4.31Å; L214-K242 HydrophobicContact CD2-CB 4.42Å; L214-K242 HydrophobicContact CD2-CG 4.5Å; L229-K242 HydrophobicContact CD1-CD 4.46Å; V230-K242 HydrophobicContact CG2-CG 4.42Å; V230-K242 WeakPolarHBondContact O-CE 3.44Å; V230-K242 PolarHBondContact O-NZ 2.93Å; T232-K242 WeakPolarHBondContact OG1-CD 3.39Å; T232-K242 PolarHBondContact OG1-NZ 2.68Å
243W98.8Very high97.7Very high24 Ų2445.3 Ų45.39%0.09128%0.281CS..EExtended strand (participates in β ladder)trans-142.515616860.1-99.5000111.5R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 3.97Å; R201-W243 HydrophobicContact CG-CD2 4.14Å; R201-W243 HydrophobicContact CG-CE3 3.96Å; R201-W243 HydrophobicContact CG-CG 4.19Å; C202-W243 CarbonylContact O-C 3.58Å; C202-W243 WeakPolarHBondContact O-CA 3.37Å; C202-W243 VanDerWaalsContact O-CB 3.25Å; C202-W243 WeakPolarHBondContact O-CB 3.43Å; W203-W243 HydrophobicContact CD2-CB 3.93Å; W203-W243 HydrophobicContact CD2-CG 4.47Å; W203-W243 HydrophobicContact CE3-CB 3.87Å; W203-W243 AromaticContact CE3-CD1 3.93Å; W203-W243 HydrophobicContact CE3-CG 4.24Å; W203-W243 HydrophobicContact CG-CB 4.38Å; W203-W243 AromaticContact CH2-CD1 3.53Å; W203-W243 HydrophobicContact CH2-CG 4.22Å; W203-W243 HydrophobicContact CZ2-CG 4.44Å; W203-W243 HydrophobicContact CZ3-CB 4.26Å; W203-W243 AromaticContact CZ3-CD1 3.43Å; W203-W243 VanDerWaalsContact CZ3-CD1 3.43Å; W203-W243 HydrophobicContact CZ3-CG 4.13Å; E228-W243 HydrophobicContact CB-CZ3 4.14Å; E228-W243 HydrophobicContact CG-CH2 3.83Å; E228-W243 HydrophobicContact CG-CZ3 3.83Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.29Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.28Å; V230-W243 HydrophobicContact CB-CZ2 4.42Å; V230-W243 HydrophobicContact CG1-CD2 3.98Å; V230-W243 HydrophobicContact CG1-CE3 4.37Å; V230-W243 HydrophobicContact CG1-CH2 3.66Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.21Å; V230-W243 HydrophobicContact CG2-CD2 3.82Å; V230-W243 HydrophobicContact CG2-CG 3.77Å; V230-W243 HydrophobicContact CG2-CZ2 4.47Å; V230-W243 WeakPolarHBondContact CG2-O 3.44Å; V230-W243 PolarHBondContact N-O 3.11Å; W243-A245 HydrophobicContact CE3-CB 3.89Å; W243-A245 HydrophobicContact CZ3-CB 3.6Å
244A98.7Very high97.6Very high0 Ų046.1 Ų46.10%029%0.288CS..EExtended strand (participates in β ladder)trans-128.1132.8173.500000108.5C202 L214 W216 T227 E228 L229C202-A244 PolarHBondContact N-O 3.31Å; C202-A244 PolarHBondContact O-N 3.49Å; L214-A244 HydrophobicContact CB-CB 4.04Å; L214-A244 HydrophobicContact CD2-CB 4.35Å; W216-A244 PolarHBondContact NE1-O 2.96Å; T227-A244 HydrophobicContact CG2-CB 3.88Å; E228-A244 CarbonylContact O-C 3.56Å; E228-A244 WeakPolarHBondContact O-CA 3.44Å; L229-A244 HydrophobicContact CD1-CB 3.61Å
245A98.6Very high97.6Very high3 Ų346.2 Ų46.23%0.02528%0.276CS..EExtended strand (participates in β ladder)trans-127.1146.2-179.800000112.2T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.92Å; L200-A245 CarbonylContact O-C 3.56Å; L200-A245 WeakPolarHBondContact O-CA 3.43Å; R201-A245 HydrophobicContact CB-CB 4.14Å; R201-A245 HydrophobicContact CG-CB 4.19Å; T227-A245 CarbonylContact C-O 3.55Å; T227-A245 WeakPolarHBondContact CA-O 2.93Å; E228-A245 HydrophobicContact CB-CB 4.48Å; E228-A245 PolarHBondContact N-O 2.96Å; E228-A245 PolarHBondContact O-N 3.01Å; W243-A245 HydrophobicContact CE3-CB 3.89Å; W243-A245 HydrophobicContact CZ3-CB 3.6Å
246V98.4Very high97.6Very high3 Ų344.1 Ų44.12%0.01826%0.258CS..EExtended strand (participates in β ladder)trans-131.7144.6173-72.60000109.2T199 L200 W216 Q223 T227 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.29Å; L200-V246 HydrophobicContact CB-CG2 4.21Å; L200-V246 PolarHBondContact N-O 2.99Å; L200-V246 PolarHBondContact O-N 2.94Å; W216-V246 HydrophobicContact CB-CG1 3.68Å; W216-V246 HydrophobicContact CB-CG2 4.35Å; W216-V246 HydrophobicContact CD2-CG1 4.45Å; W216-V246 HydrophobicContact CD2-CG2 3.65Å; W216-V246 HydrophobicContact CE3-CG2 4.07Å; W216-V246 HydrophobicContact CG-CB 4.39Å; W216-V246 HydrophobicContact CG-CG1 3.68Å; W216-V246 HydrophobicContact CG-CG2 3.78Å; W216-V246 HydrophobicContact CZ2-CG2 4.41Å; Q223-V246 HydrophobicContact CB-CG1 4.36Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.36Å; V246-V248 HydrophobicContact CB-CG1 4.4Å; V246-V248 HydrophobicContact CG2-CG1 3.78Å; V246-Y256 HydrophobicContact CG2-CD1 4.01Å; V246-Y256 HydrophobicContact CG2-CE1 4.38Å
247V98.2Very high97.7Very high81 Ų8140.8 Ų40.849%0.49122%0.221SC..EExtended strand (participates in β ladder)trans-87.1128.6168-178.10000107.6E197 A198E197-V247 HydrophobicContact CB-CG1 3.97Å; E197-V247 HydrophobicContact CG-CG1 4.2Å; A198-V247 WeakPolarHBondContact O-CA 3.19Å
248V97.6Very high97.9Very high0 Ų035.6 Ų35.60%019%0.194CC..EExtended strand (participates in β ladder)trans-127146.3-175.5-51.50000110.2E197 A198 L200 V246 E253 Y256E197-V248 VanDerWaalsContact CA-O 3.31Å; E197-V248 WeakPolarHBondContact CA-O 3.02Å; A198-V248 PolarHBondContact N-O 2.83Å; A198-V248 PolarHBondContact O-N 3.08Å; L200-V248 HydrophobicContact CD1-CG1 3.98Å; L200-V248 HydrophobicContact CD1-CG2 4.06Å; L200-V248 HydrophobicContact CG-CG1 4.14Å; L200-V248 HydrophobicContact CG-CG2 3.86Å; V246-V248 HydrophobicContact CB-CG1 4.4Å; V246-V248 HydrophobicContact CG2-CG1 3.78Å; V248-E253 HydrophobicContact CG2-CG 4.05Å; V248-Y256 HydrophobicContact CB-CD2 4.05Å; V248-Y256 HydrophobicContact CB-CE2 3.7Å; V248-Y256 HydrophobicContact CG1-CD1 3.73Å; V248-Y256 HydrophobicContact CG1-CD2 3.64Å; V248-Y256 HydrophobicContact CG1-CE1 3.61Å; V248-Y256 HydrophobicContact CG1-CE2 3.55Å; V248-Y256 HydrophobicContact CG1-CG 3.73Å
249P97.6Very high98Very high45 Ų4534.6 Ų34.629%0.29219%0.191SC..EExtended strand (participates in β ladder)trans-63.4140.6171.1-20.132.3000111.5H196 G251 E252H196-P249 CarbonylContact O-C 3.55Å; H196-P249 WeakPolarHBondContact O-CA 3.19Å; P249-G251 PolarHBondContact O-N 2.9Å; P249-E252 HydrophobicContact CB-CB 4.32Å; P249-E252 HydrophobicContact CB-CG 4.06Å; P249-E252 HydrophobicContact CG-CG 4.43Å; P249-E252 WeakPolarHBondContact O-CB 3.12Å; P249-E252 PolarHBondContact O-N 3.02Å
250S95.3Very high98Very high58 Ų5833.8 Ų33.841%0.40619%0.186SC..THydrogen-bonded Turntrans-55.5126.9174.7-62.40000110.8D195 H196 E197D195-S250 PolarHBondContact O-OG 2.98Å; D195-S250 VanDerWaalsContact O-OG 3.05Å; H196-S250 PolarHBondContact O-N 2.82Å; H196-S250 PolarHBondContact O-OG 3.33Å; E197-S250 PolarHBondContact N-OG 2.86Å
251G95.3Very high98Very high67 Ų6737.6 Ų37.669%0.69121%0.205SC*.THydrogen-bonded Turntrans89.3-4.2-178.400000115P249 E253P249-G251 PolarHBondContact O-N 2.9Å; G251-E253 WeakPolarHBondContact CA-OE2 3.25Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 2.9Å; G251-E253 PolarHBondContact N-OE2 3.48Å; G251-E253 VanDerWaalsContact N-OE2 3.07Å
252E97.6Very high98Very high52 Ų5236.1 Ų36.124%0.24320%0.198CC..  trans-100.24.6175.4-66.5-160.5-163.500113.9R218 P249 Q254 R255 Y256R218-E252 IonicContact CZ-OE2 2.68Å; R218-E252 IonicContact NE-OE2 3.75Å; R218-E252 IonicContact NH2-OE1 2.78Å; R218-E252 IonicContact NH2-OE2 3.67Å; R218-E252 PolarHBondContact NH2-OE2 2.85Å; P249-E252 HydrophobicContact CB-CB 4.32Å; P249-E252 HydrophobicContact CB-CG 4.06Å; P249-E252 HydrophobicContact CG-CG 4.43Å; P249-E252 WeakPolarHBondContact O-CB 3.12Å; P249-E252 PolarHBondContact O-N 3.02Å; E252-Q254 PolarHBondContact O-N 2.84Å; E252-Q254 VanDerWaalsContact O-N 3.08Å; E252-R255 VanDerWaalsContact CD-NH1 3.27Å; E252-R255 VanDerWaalsContact O-CB 3.31Å; E252-R255 WeakPolarHBondContact O-CB 3.43Å; E252-R255 PolarHBondContact O-N 2.62Å; E252-R255 IonicContact OE1-NH1 3.57Å; E252-R255 PolarHBondContact OE1-NH1 3.3Å; E252-R255 IonicContact OE2-CZ 3.45Å; E252-R255 IonicContact OE2-NE 3.94Å; E252-R255 IonicContact OE2-NH1 3.27Å; E252-R255 PolarHBondContact OE2-NH1 2.92Å; E252-Y256 HydrophobicContact CB-CE2 4.38Å; E252-Y256 WeakPolarHBondContact O-CD2 3.45Å
253E97.4Very high97.9Very high22 Ų2241.5 Ų41.510%0.10322%0.223CC..G310 helixtrans-57.3-35.1-169.2-57.281.3-17900112.6H190 L200 V248 G251 R255 Y256 W273H190-E253 IonicContact NE2-OE1 3.94Å; L200-E253 HydrophobicContact CD1-CB 4.18Å; L200-E253 HydrophobicContact CD2-CG 4.33Å; V248-E253 HydrophobicContact CG2-CG 4.05Å; G251-E253 WeakPolarHBondContact CA-OE2 3.25Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 2.9Å; G251-E253 PolarHBondContact N-OE2 3.48Å; G251-E253 VanDerWaalsContact N-OE2 3.07Å; E253-R255 PolarHBondContact O-N 3.04Å; E253-Y256 PolarHBondContact O-N 2.82Å; E253-Y256 VanDerWaalsContact O-N 3.11Å; E253-W273 HydrophobicContact CB-CE3 3.66Å; E253-W273 HydrophobicContact CB-CZ3 4.17Å; E253-W273 HydrophobicContact CG-CE3 3.74Å; E253-W273 HydrophobicContact CG-CZ3 3.9Å
254Q97.4Very high97.9Very high111 Ų11141.4 Ų41.452%0.51923%0.229SC..G310 helixtrans-71.6-16.1-178.8-64.4-58.2-46.100114.2E252 Y256 R272 W273E252-Q254 PolarHBondContact O-N 2.84Å; E252-Q254 VanDerWaalsContact O-N 3.08Å; Q254-Y256 PolarHBondContact O-N 3.08Å; Q254-R272 PolarHBondContact O-NE 3.5Å; Q254-R272 VanDerWaalsContact O-NE 3.08Å; Q254-W273 PolarHBondContact NE2-O 3.37Å
255R97.9Very high97.9Very high96 Ų9642.7 Ų42.736%0.36224%0.236SC..G310 helixtrans-73.6-17.6172.3-63.5174.467.1179.35.6112R218 D219 E252 E253R218-R255 WeakPolarHBondContact CA-O 3.45Å; R218-R255 HydrophobicContact CG-CB 4.41Å; D219-R255 PolarHBondContact N-O 3.38Å; D219-R255 WeakPolarHBondContact OD1-CB 3.33Å; D219-R255 IonicContact OD1-NE 3.66Å; D219-R255 PolarHBondContact OD1-NE 2.89Å; D219-R255 IonicContact OD2-CZ 2.79Å; D219-R255 IonicContact OD2-NE 3.46Å; D219-R255 PolarHBondContact OD2-NE 2.83Å; D219-R255 IonicContact OD2-NH2 3.56Å; D219-R255 PolarHBondContact OD2-NH2 2.98Å; E252-R255 VanDerWaalsContact CD-NH1 3.27Å; E252-R255 VanDerWaalsContact O-CB 3.31Å; E252-R255 WeakPolarHBondContact O-CB 3.43Å; E252-R255 PolarHBondContact O-N 2.62Å; E252-R255 IonicContact OE1-NH1 3.57Å; E252-R255 PolarHBondContact OE1-NH1 3.3Å; E252-R255 IonicContact OE2-CZ 3.45Å; E252-R255 IonicContact OE2-NE 3.94Å; E252-R255 IonicContact OE2-NH1 3.27Å; E252-R255 PolarHBondContact OE2-NH1 2.92Å; E253-R255 PolarHBondContact O-N 3.04Å
256Y98.5Very high97.8Very high8 Ų848.9 Ų48.93%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-97.9131.1-176.4-69-99.7000111.3L200 Q217 R218 Q223 V246 V248 E252 E253 Q254L200-Y256 HydrophobicContact CD1-CG 4.48Å; Q217-Y256 CarbonylContact O-C 3.59Å; Q217-Y256 VanDerWaalsContact O-CA 3.23Å; Q217-Y256 WeakPolarHBondContact O-CA 3.34Å; R218-Y256 HydrophobicContact CB-CD1 4.07Å; R218-Y256 HydrophobicContact CB-CE1 3.84Å; R218-Y256 WeakPolarHBondContact CD-OH 3.39Å; R218-Y256 HydrophobicContact CG-CD1 4.43Å; R218-Y256 HydrophobicContact CG-CD2 4.47Å; R218-Y256 HydrophobicContact CG-CE1 4.02Å; R218-Y256 HydrophobicContact CG-CE2 4.03Å; Q223-Y256 HydrophobicContact CG-CE1 4.45Å; V246-Y256 HydrophobicContact CG2-CD1 4.01Å; V246-Y256 HydrophobicContact CG2-CE1 4.38Å; V248-Y256 HydrophobicContact CB-CD2 4.05Å; V248-Y256 HydrophobicContact CB-CE2 3.7Å; V248-Y256 HydrophobicContact CG1-CD1 3.73Å; V248-Y256 HydrophobicContact CG1-CD2 3.64Å; V248-Y256 HydrophobicContact CG1-CE1 3.61Å; V248-Y256 HydrophobicContact CG1-CE2 3.55Å; V248-Y256 HydrophobicContact CG1-CG 3.73Å; E252-Y256 HydrophobicContact CB-CE2 4.38Å; E252-Y256 WeakPolarHBondContact O-CD2 3.45Å; E253-Y256 PolarHBondContact O-N 2.82Å; E253-Y256 VanDerWaalsContact O-N 3.11Å; Q254-Y256 PolarHBondContact O-N 3.08Å
257T98.6Very high97.8Very high7 Ų756.5 Ų56.54%0.04331%0.309CS..EExtended strand (participates in β ladder)trans-124.9132.5174.5450000111.1W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 3.48Å; Q217-T257 PolarHBondContact N-O 2.92Å; Q217-T257 PolarHBondContact O-N 2.66Å; T257-H259 PolarHBondContact O-CD2 3.25Å; T257-H259 PolarHBondContact OG1-NE2 2.8Å; T257-T270 HydrophobicContact CG2-CG2 3.85Å; T257-L271 CarbonylContact C-O 3.59Å; T257-L271 VanDerWaalsContact CA-O 3.29Å; T257-L271 WeakPolarHBondContact CA-O 3.3Å; T257-R272 HydrophobicContact CG2-CG 3.61Å; T257-R272 VanDerWaalsContact CG2-NE 3.31Å; T257-R272 VanDerWaalsContact CG2-NH2 3.32Å
258C98.7Very high97.8Very high0 Ų056.5 Ų56.50%031%0.311CS..EExtended strand (participates in β ladder)trans-89.7130.9167.9175.90000109.9C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.49Å; C202-C258 VanDerWaalsContact CB-CB 3.49Å; C202-C258 WeakPolarHBondContact CB-SG 3.46Å; C202-C258 WeakPolarHBondContact SG-CB 3.45Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 2.9Å; T215-C258 CarbonylContact O-C 3.59Å; T215-C258 WeakPolarHBondContact O-CA 3.5Å; W216-C258 HydrophobicContact CD2-CB 4.17Å; W216-C258 HydrophobicContact CE3-CB 4.13Å; W216-C258 HydrophobicContact CH2-CB 4.01Å; W216-C258 HydrophobicContact CZ2-CB 4.06Å; W216-C258 HydrophobicContact CZ3-CB 4.05Å; C258-T270 CarbonylContact O-C 3.48Å; C258-T270 WeakPolarHBondContact O-CA 3.13Å; C258-L271 HydrophobicContact CB-CB 4.36Å; C258-L271 PolarHBondContact N-O 2.82Å; C258-L271 PolarHBondContact O-N 2.86Å
259H98.6Very high97.8Very high37 Ų3759.4 Ų59.417%0.17133%0.326CS..EExtended strand (participates in β ladder)trans-110.3131.9175.9-63.7-103.9000109.9L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.33Å; T215-H259 PolarHBondContact N-O 2.99Å; T215-H259 PolarHBondContact O-N 2.87Å; Q217-H259 PolarHBondContact OE1-NE2 3Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.13Å; T257-H259 PolarHBondContact O-CD2 3.25Å; T257-H259 PolarHBondContact OG1-NE2 2.8Å; H259-L269 WeakPolarHBondContact CA-O 3.4Å; H259-T270 PolarHBondContact ND1-OG1 3.43Å
260V98.8Very high97.9Very high0 Ų061.2 Ų61.20%034%0.336CS..EExtended strand (participates in β ladder)trans-125.6124-178.1-172.90000109.8P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.93Å; T186-V260 HydrophobicContact CG2-CB 4.31Å; T186-V260 HydrophobicContact CG2-CG1 4.05Å; T186-V260 HydrophobicContact CG2-CG2 3.96Å; I212-V260 HydrophobicContact CD1-CG1 4.06Å; I212-V260 HydrophobicContact CG1-CG1 4.35Å; T213-V260 WeakPolarHBondContact O-CA 3.46Å; L214-V260 HydrophobicContact CD1-CG1 4.11Å; L214-V260 HydrophobicContact CG-CG2 4.34Å; V260-L265 HydrophobicContact CG1-CD1 4.26Å; V260-P268 WeakPolarHBondContact O-CA 3.1Å; V260-L269 HydrophobicContact CB-CB 4.35Å; V260-L269 PolarHBondContact N-O 2.92Å; V260-L269 PolarHBondContact O-N 2.89Å; V260-L271 HydrophobicContact CG2-CD1 3.78Å
261Q98.7Very high98Very high108 Ų10859.8 Ų59.851%0.50532%0.324SS..EExtended strand (participates in β ladder)trans-120131.7173.5-54-176.84.100109.9I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.28Å; I212-Q261 WeakPolarHBondContact CG1-O 3.31Å; T213-Q261 PolarHBondContact N-O 3.19Å; T213-Q261 PolarHBondContact O-N 3.03Å; Q261-P268 HydrophobicContact CG-CB 4.06Å; Q261-P268 HydrophobicContact CG-CG 4.1Å
262H98.7Very high98.1Very high15 Ų1563.1 Ų63.17%0.06932%0.316CS..  trans-157.3146.3-179.9-177.9-97.1000108.6D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 3.18Å; P184-H262 HydrophobicContact CG-CB 4.04Å; F207-H262 AromaticContact CD2-CD2 3.83Å; F207-H262 AromaticContact CD2-NE2 3.78Å; Y208-H262 PolarHBondContact O-CE1 3.17Å; Y208-H262 PolarHBondContact O-NE2 3.21Å; P209-H262 PolarHBondContact O-NE2 3.07Å; E211-H262 PolarHBondContact O-CD2 2.9Å; E211-H262 VanDerWaalsContact O-CD2 3.31Å; I212-H262 HydrophobicContact CD1-CB 4.44Å; I212-H262 HydrophobicContact CG1-CB 4.16Å; H262-G264 PolarHBondContact ND1-N 3.45Å; H262-G264 PolarHBondContact O-N 2.93Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.16Å; H262-L265 WeakPolarHBondContact O-CB 3.33Å; H262-L265 PolarHBondContact O-N 3.05Å
263E97.6Very high97.9Very high135 Ų13567.6 Ų67.663%0.63133%0.33SS*.THydrogen-bonded Turntrans-63.2-29-176.364.8161.1-154.200113.8A181 P209 L265A181-E263 HydrophobicContact CB-CG 3.87Å; A181-E263 WeakPolarHBondContact CB-OE1 3.48Å; P209-E263 VanDerWaalsContact CD-CD 3.43Å; P209-E263 WeakPolarHBondContact CD-OE1 3.35Å; P209-E263 HydrophobicContact CG-CG 3.88Å; P209-E263 WeakPolarHBondContact CG-OE1 3.33Å; E263-L265 PolarHBondContact O-N 3.29Å
264G97.5Very high97.9Very high21 Ų2169.9 Ų69.922%0.21634%0.342CS..THydrogen-bonded Turntrans-71.7-8.7175.200000114.2H262H262-G264 PolarHBondContact ND1-N 3.45Å; H262-G264 PolarHBondContact O-N 2.93Å
265L98.4Very high98Very high27 Ų2767.7 Ų67.714%0.14133%0.333CS..  trans-94.2127.3176.8-66.3170.8000110.2P183 P184 V260 H262 E263 K267 L269P183-L265 HydrophobicContact CB-CD2 3.9Å; P183-L265 HydrophobicContact CB-CG 4.41Å; P184-L265 HydrophobicContact CG-CD1 3.9Å; P184-L265 HydrophobicContact CG-CD2 4.48Å; P184-L265 HydrophobicContact CG-CG 4.26Å; V260-L265 HydrophobicContact CG1-CD1 4.26Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.16Å; H262-L265 WeakPolarHBondContact O-CB 3.33Å; H262-L265 PolarHBondContact O-N 3.05Å; E263-L265 PolarHBondContact O-N 3.29Å; L265-K267 WeakPolarHBondContact CB-O 3.43Å; L265-K267 PolarHBondContact O-N 3.05Å; L265-L269 HydrophobicContact CD1-CD1 4.07Å; L265-L269 HydrophobicContact CD1-CG 3.94Å; L265-L269 HydrophobicContact CD2-CD1 3.8Å; L265-L269 HydrophobicContact CD2-CG 4.04Å
266P97.7Very high98Very high133 Ų13366.2 Ų66.286%0.86433%0.331SS*.SBendtrans-67-24.7177.227.2-34.6000112.7
267K97.7Very high97.9Very high163 Ų16369.6 Ų69.671%0.70935%0.349SS*.SBendtrans-146.9150173.4-63.6-176.5-177.5177.90108.8L265L265-K267 WeakPolarHBondContact CB-O 3.43Å; L265-K267 PolarHBondContact O-N 3.05Å
268P98.2Very high97.9Very high82 Ų8273.5 Ų73.553%0.53237%0.368SS..  trans-52.9144.1171.6-27.136000112.2V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.1Å; Q261-P268 HydrophobicContact CG-CB 4.06Å; Q261-P268 HydrophobicContact CG-CG 4.1Å
269L98.5Very high97.9Very high61 Ų6178.4 Ų78.432%0.31939%0.392SS..EExtended strand (participates in β ladder)trans-93.3148.6174.3-60.8178.2000110.3T186 H259 V260 L265 L271T186-L269 HydrophobicContact CG2-CD1 4.26Å; H259-L269 WeakPolarHBondContact CA-O 3.4Å; V260-L269 HydrophobicContact CB-CB 4.35Å; V260-L269 PolarHBondContact N-O 2.92Å; V260-L269 PolarHBondContact O-N 2.89Å; L265-L269 HydrophobicContact CD1-CD1 4.07Å; L265-L269 HydrophobicContact CD1-CG 3.94Å; L265-L269 HydrophobicContact CD2-CD1 3.8Å; L265-L269 HydrophobicContact CD2-CG 4.04Å; L269-L271 HydrophobicContact CB-CD1 4.03Å
270T98.5Very high97.8Very high82 Ų8281.4 Ų81.450%0.50341%0.408SS..EExtended strand (participates in β ladder)trans-127.6119.1171.4-56.40000107.9T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.85Å; C258-T270 CarbonylContact O-C 3.48Å; C258-T270 WeakPolarHBondContact O-CA 3.13Å; H259-T270 PolarHBondContact ND1-OG1 3.43Å
271L98.1Very high97.7Very high28 Ų2887.6 Ų87.615%0.14744%0.439CS..EExtended strand (participates in β ladder)trans-117.5147-176.3-58.6101.9000110.5T186 V188 T257 C258 V260 L269T186-L271 WeakPolarHBondContact OG1-CD2 3.37Å; V188-L271 HydrophobicContact CG2-CB 3.85Å; T257-L271 CarbonylContact C-O 3.59Å; T257-L271 VanDerWaalsContact CA-O 3.29Å; T257-L271 WeakPolarHBondContact CA-O 3.3Å; C258-L271 HydrophobicContact CB-CB 4.36Å; C258-L271 PolarHBondContact N-O 2.82Å; C258-L271 PolarHBondContact O-N 2.86Å; V260-L271 HydrophobicContact CG2-CD1 3.78Å; L269-L271 HydrophobicContact CB-CD1 4.03Å
272R96.9Very high97.6Very high138 Ų13885.9 Ų85.952%0.52143%0.434SS..  trans-123.6165.5165.3-66.9-170.9170.888.22.5108.4Q254 T257Q254-R272 PolarHBondContact O-NE 3.5Å; Q254-R272 VanDerWaalsContact O-NE 3.08Å; T257-R272 HydrophobicContact CG2-CG 3.61Å; T257-R272 VanDerWaalsContact CG2-NE 3.31Å; T257-R272 VanDerWaalsContact CG2-NH2 3.32Å
273W93.9Very high97.6Very high146 Ų14692.4 Ų92.455%0.55347%0.467SS*.  trans-71.10166.1175.155.4000110.9V188 H190 L200 E253 Q254V188-W273 HydrophobicContact CG1-CB 3.92Å; H190-W273 HydrophobicContact CB-CD2 3.84Å; H190-W273 VanDerWaalsContact CB-CE2 3.43Å; H190-W273 HydrophobicContact CB-CG 3.95Å; H190-W273 HydrophobicContact CB-CZ2 3.95Å; H190-W273 VanDerWaalsContact CB-NE1 3.3Å; H190-W273 AromaticContact CG-CE2 3.72Å; H190-W273 AromaticContact CG-CZ2 3.78Å; H190-W273 AromaticContact ND1-CZ2 3.85Å; L200-W273 HydrophobicContact CD2-CB 3.9Å; L200-W273 HydrophobicContact CD2-CG 4.16Å; E253-W273 HydrophobicContact CB-CE3 3.66Å; E253-W273 HydrophobicContact CB-CZ3 4.17Å; E253-W273 HydrophobicContact CG-CE3 3.74Å; E253-W273 HydrophobicContact CG-CZ3 3.9Å; Q254-W273 PolarHBondContact NE2-O 3.37Å

Retrieved 273 of 273 residues in 157.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).