A0A060VD24_HUMAN Loading...

MHC class I antigen

Involved in the presentation of foreign antigens to the immune system.

AlphaFold DB , UniProt , Accession A0A060VD24, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 340 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1S94.1Very high98.1Very high93 Ų9335.7 Ų35.765%0.6520%0.195SC*.  0167.60-62.60000108.4V102S1-V102 WeakPolarHBondContact CB-O 3.22Å
2H97.8Very high98Very high44 Ų4433.8 Ų33.820%0.20419%0.186CC..EExtended strand (participates in β ladder)trans-134.9159.7-176.7-64.3-70.5000112.4D28 D101 V102 L167 L171 L178H2-D28 VanDerWaalsContact CA-OD1 3.31Å; H2-D28 WeakPolarHBondContact CA-OD1 3.42Å; H2-D28 IonicContact CE1-OD2 2.69Å; H2-D28 IonicContact CG-OD2 2.84Å; H2-D28 IonicContact ND1-OD2 3.68Å; H2-D28 PolarHBondContact ND1-OD2 3.42Å; H2-D101 CarbonylContact O-C 3.55Å; H2-D101 WeakPolarHBondContact O-CA 3.44Å; H2-V102 HydrophobicContact CB-CG2 4.03Å; H2-V102 PolarHBondContact N-O 2.78Å; H2-V102 VanDerWaalsContact N-O 3.07Å; H2-V102 PolarHBondContact O-N 2.81Å; H2-L167 HydrophobicContact CB-CD1 4.4Å; H2-L171 HydrophobicContact CB-CD1 3.63Å; H2-L171 HydrophobicContact CB-CD2 3.96Å; H2-L171 HydrophobicContact CB-CG 4.38Å; H2-L171 VanDerWaalsContact CG-CD2 3.48Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.38Å; H2-L178 PolarHBondContact CE1-O 3.06Å
3S98.4Very high97.7Very high22 Ų2236.5 Ų36.515%0.15419%0.192CC..EExtended strand (participates in β ladder)trans-139.9149.5-17663.10000111.3V27 D28 C100 D101S3-V27 VanDerWaalsContact O-CA 3.31Å; S3-V27 WeakPolarHBondContact O-CA 3.3Å; S3-D28 PolarHBondContact N-OD1 3.14Å; S3-D28 PolarHBondContact O-N 3.09Å; S3-D28 WeakPolarHBondContact OG-CA 3.36Å; S3-D28 PolarHBondContact OG-OD1 3.09Å; S3-C100 CarbonylContact C-O 3.53Å; S3-C100 WeakPolarHBondContact CA-O 3.31Å; S3-D101 WeakPolarHBondContact CB-OD1 3.11Å
4M98.8Very high97.2Very high0 Ų037.7 Ų37.70%020%0.203CC..EExtended strand (participates in β ladder)trans-127.4117.4165.5-178.4176.359.800108.5Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.1Å; M4-Y6 HydrophobicContact CG-CE2 4.03Å; M4-Y6 HydrophobicContact SD-CE2 3.9Å; M4-Y26 WeakPolarHBondContact CA-O 3.36Å; M4-V27 HydrophobicContact CB-CG2 4.47Å; M4-V27 HydrophobicContact CG-CG2 4.3Å; M4-F32 HydrophobicContact CG-CE1 4.31Å; M4-F32 HydrophobicContact SD-CZ 4.29Å; M4-G99 CarbonylContact O-C 3.55Å; M4-G99 WeakPolarHBondContact O-CA 3.48Å; M4-C100 PolarHBondContact N-O 3.27Å; M4-C100 PolarHBondContact O-N 3.33Å; M4-C163 HydrophobicContact CE-CB 4.17Å; M4-C163 WeakPolarHBondContact CE-O 3.21Å; M4-C163 WeakPolarHBondContact CE-SG 3.47Å; M4-W166 HydrophobicContact CE-CB 4.16Å; M4-W166 HydrophobicContact SD-CB 4.41Å; M4-L167 HydrophobicContact CB-CB 4.01Å; M4-L167 HydrophobicContact CB-CD1 4.04Å; M4-L167 HydrophobicContact CB-CD2 4.09Å; M4-L167 HydrophobicContact CB-CG 4.26Å; M4-L167 HydrophobicContact CE-CB 4.45Å; M4-Y170 HydrophobicContact SD-CD2 3.83Å; M4-Y170 HydrophobicContact SD-CE2 3.56Å; M4-Y170 VanDerWaalsContact SD-CE2 3.56Å
5R98.7Very high96.6Very high49 Ų4941.1 Ų41.119%0.18525%0.251CS..EExtended strand (participates in β ladder)trans-125.6135.4-175.7-53.2-59.7-171.1775.5110.5F7 G25 Y26 M97 D101 Y112R5-F7 HydrophobicContact CB-CE2 3.69Å; R5-F7 HydrophobicContact CB-CZ 3.98Å; R5-G25 WeakPolarHBondContact O-CA 3.46Å; R5-Y26 PolarHBondContact N-O 2.83Å; R5-Y26 PolarHBondContact O-N 3.4Å; R5-M97 HydrophobicContact CB-SD 4.38Å; R5-M97 HydrophobicContact CG-SD 4.5Å; R5-D101 IonicContact CZ-OD1 3.14Å; R5-D101 VanDerWaalsContact CZ-OD1 3.25Å; R5-D101 IonicContact CZ-OD2 3.32Å; R5-D101 IonicContact NE-OD1 2.79Å; R5-D101 PolarHBondContact NE-OD1 3.48Å; R5-D101 IonicContact NH2-OD1 3.91Å; R5-D101 PolarHBondContact NH2-OD1 2.82Å; R5-D101 IonicContact NH2-OD2 2.69Å; R5-D101 PolarHBondContact NH2-OD2 2.89Å; R5-Y112 PolarHBondContact NH2-OH 2.96Å
6Y98.8Very high96.2Very high5 Ų551.9 Ų51.92%0.0229%0.285CS..EExtended strand (participates in β ladder)trans-112.9135.2171.7-69.9-93.6000109.4M4 Y8 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.1Å; M4-Y6 HydrophobicContact CG-CE2 4.03Å; M4-Y6 HydrophobicContact SD-CE2 3.9Å; Y6-Y8 HydrophobicContact CD1-CE1 4.43Å; Y6-V24 WeakPolarHBondContact CA-O 3.43Å; Y6-F32 HydrophobicContact CE1-CZ 4.05Å; Y6-F32 AromaticContact CZ-CZ 3.82Å; Y6-V33 HydrophobicContact CE1-CG1 4.14Å; Y6-M97 WeakPolarHBondContact O-CA 3.33Å; Y6-Y98 VanDerWaalsContact CB-CE1 3.42Å; Y6-Y98 HydrophobicContact CD2-CE1 4.44Å; Y6-Y98 AromaticContact CD2-CE2 3.79Å; Y6-Y98 HydrophobicContact CD2-CE2 3.79Å; Y6-Y98 AromaticContact CD2-CZ 3.71Å; Y6-Y98 HydrophobicContact CE2-CE2 4.49Å; Y6-Y98 HydrophobicContact CG-CE1 4.09Å; Y6-Y98 HydrophobicContact CG-CE2 4.26Å; Y6-Y98 AromaticContact CG-CZ 3.72Å; Y6-Y98 PolarHBondContact N-O 2.89Å; Y6-Y98 PolarHBondContact O-N 2.82Å
7F98.8Very high95.8Very high86 Ų8652.5 Ų52.538%0.37731%0.306SS..EExtended strand (participates in β ladder)trans-121.5119.5178.4-55.2-98.7000108.8R5 A23 V24 Y26 R96 M97R5-F7 HydrophobicContact CB-CE2 3.69Å; R5-F7 HydrophobicContact CB-CZ 3.98Å; F7-A23 WeakPolarHBondContact O-CA 3.49Å; F7-V24 HydrophobicContact CB-CG2 3.86Å; F7-V24 HydrophobicContact CD2-CG2 4.35Å; F7-V24 PolarHBondContact N-O 2.44Å; F7-V24 PolarHBondContact O-N 2.53Å; F7-Y26 HydrophobicContact CD2-CD2 4.09Å; F7-Y26 HydrophobicContact CE2-CD2 4.1Å; F7-R96 WeakPolarHBondContact CA-O 3.4Å; F7-M97 HydrophobicContact CD1-CB 4.06Å; F7-M97 HydrophobicContact CD1-CG 3.55Å; F7-M97 HydrophobicContact CE1-CB 4.24Å; F7-M97 HydrophobicContact CE1-CG 3.33Å; F7-M97 HydrophobicContact CG-CG 4.38Å; F7-M97 HydrophobicContact CZ-CG 3.99Å
8Y98.8Very high95.7Very high8 Ų854.6 Ų54.63%0.03131%0.312CS..EExtended strand (participates in β ladder)trans-113.4139.4177-57.8-20.8000109.9Y6 F21 I22 A23 Y66 Q69 Q95 R96 Y98Y6-Y8 HydrophobicContact CD1-CE1 4.43Å; Y8-F21 HydrophobicContact CD1-CZ 4.19Å; Y8-F21 HydrophobicContact CD2-CE2 4.42Å; Y8-F21 HydrophobicContact CD2-CZ 4.22Å; Y8-F21 HydrophobicContact CG-CE2 4.2Å; Y8-F21 AromaticContact CG-CZ 3.95Å; Y8-F21 HydrophobicContact CG-CZ 3.95Å; Y8-I22 WeakPolarHBondContact CA-O 3.33Å; Y8-A23 HydrophobicContact CD1-CB 3.27Å; Y8-A23 HydrophobicContact CE1-CB 3.43Å; Y8-A23 VanDerWaalsContact CE1-CB 3.43Å; Y8-A23 HydrophobicContact CG-CB 4.3Å; Y8-Y66 HydrophobicContact CE1-CD1 4.02Å; Y8-Y66 AromaticContact CE1-CE1 3.8Å; Y8-Y66 HydrophobicContact CE1-CE1 3.8Å; Y8-Q69 HydrophobicContact CD2-CG 3.54Å; Y8-Q69 HydrophobicContact CE2-CB 4.27Å; Y8-Q69 HydrophobicContact CE2-CG 3.65Å; Y8-Q69 HydrophobicContact CG-CG 4.49Å; Y8-Q95 CarbonylContact O-C 3.57Å; Y8-Q95 VanDerWaalsContact O-CA 3.27Å; Y8-Q95 WeakPolarHBondContact O-CA 3.38Å; Y8-R96 PolarHBondContact N-O 2.84Å; Y8-R96 PolarHBondContact O-N 3.31Å; Y8-Y98 HydrophobicContact CD2-CE1 4.16Å; Y8-Y98 HydrophobicContact CE1-CE1 4.18Å; Y8-Y98 HydrophobicContact CE2-CD1 4.4Å; Y8-Y98 AromaticContact CE2-CE1 3.52Å; Y8-Y98 HydrophobicContact CE2-CE1 3.52Å; Y8-Y98 AromaticContact CZ-CE1 3.56Å; Y8-Y98 PolarHBondContact OH-OH 3.21Å
9T98.8Very high95.7Very high46 Ų4653 Ų5328%0.28230%0.304SS..EExtended strand (participates in β ladder)trans-134.1123.9176.7-58.90000109.4V11 F21 I22 I93 I94 Q95T9-V11 HydrophobicContact CG2-CG2 4.04Å; T9-F21 WeakPolarHBondContact O-CA 3.39Å; T9-I22 PolarHBondContact N-O 2.82Å; T9-I22 PolarHBondContact O-N 2.86Å; T9-I93 HydrophobicContact CG2-CG2 3.92Å; T9-I94 WeakPolarHBondContact CA-O 3.38Å; T9-Q95 HydrophobicContact CG2-CG 4.21Å
10A98.4Very high95.8Very high1 Ų152.6 Ų52.61%0.00830%0.3CS..EExtended strand (participates in β ladder)trans-119.5114.617700000110.4H20 F21 D73 L77 I93 I94A10-H20 CarbonylContact C-O 3.55Å; A10-H20 VanDerWaalsContact CA-O 3.3Å; A10-H20 WeakPolarHBondContact CA-O 3.45Å; A10-F21 HydrophobicContact CB-CD2 4.28Å; A10-D73 HydrophobicContact CB-CB 3.58Å; A10-L77 HydrophobicContact CB-CD1 4.17Å; A10-I93 WeakPolarHBondContact O-CA 3.13Å; A10-I94 HydrophobicContact CB-CB 4.45Å; A10-I94 PolarHBondContact N-O 2.97Å; A10-I94 PolarHBondContact O-N 2.88Å
11V98.1Very high95.9Very high39 Ų3950.2 Ų50.224%0.23629%0.286CS..EExtended strand (participates in β ladder)trans-108.7117.1-176.9-176.70000110.1T9 P19 H20 Q92 I93T9-V11 HydrophobicContact CG2-CG2 4.04Å; V11-P19 CarbonylContact O-C 3.45Å; V11-P19 WeakPolarHBondContact O-CA 3.42Å; V11-P19 WeakPolarHBondContact O-CB 3.36Å; V11-H20 HydrophobicContact CB-CB 4.46Å; V11-H20 PolarHBondContact N-O 3.01Å; V11-H20 PolarHBondContact O-N 2.84Å; V11-Q92 CarbonylContact C-O 3.53Å; V11-Q92 WeakPolarHBondContact CA-O 3.31Å; V11-I93 HydrophobicContact CG1-CG1 4.4Å; V11-I93 HydrophobicContact CG2-CG1 4.28Å; V11-I93 HydrophobicContact CG2-CG2 4.32Å
12S96.6Very high96.2Very high12 Ų1248 Ų488%0.08427%0.266CS..  trans-70.9140.2174.983.10000111.2P14 S91 Q92S12-P14 WeakPolarHBondContact O-CD 3.41Å; S12-S91 WeakPolarHBondContact O-CB 3.21Å; S12-S91 PolarHBondContact O-OG 3.02Å; S12-Q92 PolarHBondContact N-O 2.68Å; S12-Q92 PolarHBondContact OG-N 2.98Å; S12-Q92 PolarHBondContact OG-OE1 3.34Å; S12-Q92 VanDerWaalsContact OG-OE1 3.04Å
13R94.4Very high96.2Very high70 Ų7046 Ų4626%0.26426%0.257SS..  trans-127.872.2-173-60.1-170.7-72.4-164.5-8112G15 R16 E18 D38R13-G15 PolarHBondContact O-N 2.82Å; R13-R16 HydrophobicContact CB-CB 4.15Å; R13-R16 PolarHBondContact O-N 3.38Å; R13-E18 PolarHBondContact NE-O 2.86Å; R13-E18 PolarHBondContact NH2-O 2.91Å; R13-D38 IonicContact CZ-OD1 2.65Å; R13-D38 IonicContact CZ-OD2 3.21Å; R13-D38 IonicContact NH1-OD1 2.67Å; R13-D38 IonicContact NH1-OD2 2.73Å; R13-D38 PolarHBondContact NH1-OD2 2.92Å; R13-D38 IonicContact NH2-OD1 3.08Å; R13-D38 PolarHBondContact NH2-OD1 2.84Å; R13-D38 IonicContact NH2-OD2 3.49Å; R13-D38 PolarHBondContact NH2-OD2 3.23Å
14P89.9Confident96.2Very high53 Ų5346.1 Ų46.134%0.34426%0.257SS..THydrogen-bonded Turntrans-48.8127.1-178.6-2936.2000112.9S12 R16 E88S12-P14 WeakPolarHBondContact O-CD 3.41Å; P14-R16 PolarHBondContact O-N 3.46Å; P14-E88 WeakPolarHBondContact CB-O 3.31Å; P14-E88 VanDerWaalsContact CG-O 3.26Å; P14-E88 WeakPolarHBondContact CG-O 3.25Å
15G88Confident96.2Very high89 Ų8946.1 Ų46.192%0.91826%0.257SS*.THydrogen-bonded Turntrans69.44.6-178.700000116.2R13R13-G15 PolarHBondContact O-N 2.82Å
16R90.6Very high96.2Very high213 Ų21347.2 Ų47.280%0.80426%0.261SS*.SBendtrans-125.830.3-177.3-58.7-175.7-177.4-168.60.9113.4R13 P14R13-R16 HydrophobicContact CB-CB 4.15Å; R13-R16 PolarHBondContact O-N 3.38Å; P14-R16 PolarHBondContact O-N 3.46Å
17G89.8Confident96.2Very high62 Ų6247 Ų4764%0.63926%0.261SS*.SBendtrans89-150.7179.400000113.5
18E93.3Very high96.1Very high90 Ų9044.4 Ų44.442%0.42125%0.25SS..SBendtrans-81.1160.6-175.8-65.3-60.9170.300112.7R13 H20 R74 R78R13-E18 PolarHBondContact NE-O 2.86Å; R13-E18 PolarHBondContact NH2-O 2.91Å; E18-H20 PolarHBondContact O-N 2.98Å; E18-R74 VanDerWaalsContact CD-NH2 3.33Å; E18-R74 IonicContact OE1-CZ 3.39Å; E18-R74 IonicContact OE1-NE 3.5Å; E18-R74 PolarHBondContact OE1-NE 3.46Å; E18-R74 IonicContact OE1-NH2 2.76Å; E18-R74 PolarHBondContact OE1-NH2 2.93Å; E18-R74 IonicContact OE2-CZ 3.17Å; E18-R74 IonicContact OE2-NE 2.68Å; E18-R74 PolarHBondContact OE2-NE 3.36Å; E18-R74 IonicContact OE2-NH2 2.77Å; E18-R78 IonicContact OE2-NH2 3.17Å
19P96.1Very high96Very high25 Ų2546.9 Ų46.916%0.16226%0.264CS..PPolyproline II helixtrans-53.4138.6174.7-26.635.8000112.6V11 F21 R74 L77V11-P19 CarbonylContact O-C 3.45Å; V11-P19 WeakPolarHBondContact O-CA 3.42Å; V11-P19 WeakPolarHBondContact O-CB 3.36Å; P19-F21 PolarHBondContact O-N 2.81Å; P19-R74 HydrophobicContact CG-CB 4.32Å; P19-R74 HydrophobicContact CG-CG 4.26Å; P19-L77 HydrophobicContact CB-CD1 3.66Å; P19-L77 HydrophobicContact CG-CD1 3.67Å
20H98.1Very high96Very high45 Ų4546 Ų4621%0.20826%0.259CS..EExtended strand (participates in β ladder)trans-74.2123.4170.5-167.5-178.5000107.9A10 V11 E18 D36 S37 D38A10-H20 CarbonylContact C-O 3.55Å; A10-H20 VanDerWaalsContact CA-O 3.3Å; A10-H20 WeakPolarHBondContact CA-O 3.45Å; V11-H20 HydrophobicContact CB-CB 4.46Å; V11-H20 PolarHBondContact N-O 3.01Å; V11-H20 PolarHBondContact O-N 2.84Å; E18-H20 PolarHBondContact O-N 2.98Å; H20-D36 IonicContact CD2-OD1 3.35Å; H20-D36 IonicContact CE1-OD1 3.68Å; H20-D36 IonicContact NE2-OD1 2.86Å; H20-D36 PolarHBondContact NE2-OD1 2.98Å; H20-D36 IonicContact NE2-OD2 3.7Å; H20-S37 PolarHBondContact CD2-OG 2.75Å; H20-D38 IonicContact CD2-OD1 2.63Å; H20-D38 PolarHBondContact CD2-OD1 2.88Å; H20-D38 IonicContact CG-OD1 2.78Å; H20-D38 IonicContact NE2-OD1 3.3Å
21F98.6Very high95.9Very high3 Ų348.4 Ų48.41%0.01327%0.27CS..EExtended strand (participates in β ladder)trans-113.6121.1173.9176.7-89.8000110.2Y8 T9 A10 P19 A23 F35 S37 Q69 A70 D73Y8-F21 HydrophobicContact CD1-CZ 4.19Å; Y8-F21 HydrophobicContact CD2-CE2 4.42Å; Y8-F21 HydrophobicContact CD2-CZ 4.22Å; Y8-F21 HydrophobicContact CG-CE2 4.2Å; Y8-F21 AromaticContact CG-CZ 3.95Å; Y8-F21 HydrophobicContact CG-CZ 3.95Å; T9-F21 WeakPolarHBondContact O-CA 3.39Å; A10-F21 HydrophobicContact CB-CD2 4.28Å; P19-F21 PolarHBondContact O-N 2.81Å; F21-A23 HydrophobicContact CE1-CB 3.68Å; F21-A23 HydrophobicContact CZ-CB 3.88Å; F21-F35 AromaticContact CD1-CD1 3.74Å; F21-F35 HydrophobicContact CD1-CD1 3.74Å; F21-F35 AromaticContact CD1-CE1 3.81Å; F21-F35 HydrophobicContact CD1-CE1 3.81Å; F21-F35 AromaticContact CE1-CD1 3.9Å; F21-F35 HydrophobicContact CE1-CD1 3.9Å; F21-F35 HydrophobicContact CE1-CE1 4.26Å; F21-S37 PolarHBondContact N-OG 3.31Å; F21-S37 PolarHBondContact O-N 3.43Å; F21-S37 PolarHBondContact O-OG 2.85Å; F21-Q69 HydrophobicContact CE2-CB 4.18Å; F21-Q69 HydrophobicContact CE2-CG 3.63Å; F21-Q69 HydrophobicContact CZ-CB 3.96Å; F21-Q69 HydrophobicContact CZ-CG 3.77Å; F21-A70 HydrophobicContact CB-CB 3.77Å; F21-A70 HydrophobicContact CD1-CB 3.84Å; F21-A70 HydrophobicContact CD2-CB 4.09Å; F21-A70 HydrophobicContact CE1-CB 4.48Å; F21-A70 HydrophobicContact CG-CB 3.62Å; F21-D73 VanDerWaalsContact CE2-OD2 3.32Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.46Å
22I98.7Very high95.9Very high47 Ų4746.5 Ų46.524%0.24126%0.259CS..EExtended strand (participates in β ladder)trans-116.3136.6171.5-59.3175.6000107.9Y8 T9 V24Y8-I22 WeakPolarHBondContact CA-O 3.33Å; T9-I22 PolarHBondContact N-O 2.82Å; T9-I22 PolarHBondContact O-N 2.86Å; I22-V24 HydrophobicContact CG2-CG1 4.4Å
23A98.8Very high96Very high0 Ų046 Ų460%026%0.255CS..EExtended strand (participates in β ladder)trans-127.1139.5168.900000110.4F7 Y8 F21 R34 F35 Y66F7-A23 WeakPolarHBondContact O-CA 3.49Å; Y8-A23 HydrophobicContact CD1-CB 3.27Å; Y8-A23 HydrophobicContact CE1-CB 3.43Å; Y8-A23 VanDerWaalsContact CE1-CB 3.43Å; Y8-A23 HydrophobicContact CG-CB 4.3Å; F21-A23 HydrophobicContact CE1-CB 3.68Å; F21-A23 HydrophobicContact CZ-CB 3.88Å; A23-R34 CarbonylContact O-C 3.55Å; A23-R34 WeakPolarHBondContact O-CA 3.38Å; A23-F35 HydrophobicContact CB-CB 4.25Å; A23-F35 PolarHBondContact N-O 3.02Å; A23-F35 PolarHBondContact O-N 2.82Å; A23-Y66 HydrophobicContact CB-CD1 3.69Å; A23-Y66 HydrophobicContact CB-CE1 3.83Å; A23-Y66 HydrophobicContact CB-CG 4.44Å
24V98.8Very high96.2Very high25 Ų2546.5 Ų46.515%0.15226%0.257CS..EExtended strand (participates in β ladder)trans-133.5148.4171.9-62.50000110.2Y6 F7 I22 Y26 Q31 V33 R34Y6-V24 WeakPolarHBondContact CA-O 3.43Å; F7-V24 HydrophobicContact CB-CG2 3.86Å; F7-V24 HydrophobicContact CD2-CG2 4.35Å; F7-V24 PolarHBondContact N-O 2.44Å; F7-V24 PolarHBondContact O-N 2.53Å; I22-V24 HydrophobicContact CG2-CG1 4.4Å; V24-Y26 HydrophobicContact CB-CE2 4.11Å; V24-Y26 HydrophobicContact CG2-CD2 4.33Å; V24-Y26 HydrophobicContact CG2-CE2 3.81Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.28Å; V24-V33 WeakPolarHBondContact CA-O 3.32Å; V24-R34 HydrophobicContact CG1-CG 4.33Å
25G98.7Very high96.6Very high0 Ų044.1 Ų44.10%024%0.241CC..EExtended strand (participates in β ladder)trans-129.9138.7176.500000111.1R5 F32 V33R5-G25 WeakPolarHBondContact O-CA 3.46Å; G25-F32 VanDerWaalsContact C-CD1 3.42Å; G25-F32 WeakPolarHBondContact O-CD1 3.41Å; G25-F32 PolarHBondContact O-N 3.28Å; G25-V33 PolarHBondContact N-O 3.44Å; G25-V33 PolarHBondContact O-N 3Å
26Y98.7Very high97.1Very high73 Ų7341.1 Ų41.129%0.28620%0.204SC..EExtended strand (participates in β ladder)trans-125.8143.3-175.8-77.3-105.8000110.6M4 R5 F7 V24 T30 Q31M4-Y26 WeakPolarHBondContact CA-O 3.36Å; R5-Y26 PolarHBondContact N-O 2.83Å; R5-Y26 PolarHBondContact O-N 3.4Å; F7-Y26 HydrophobicContact CD2-CD2 4.09Å; F7-Y26 HydrophobicContact CE2-CD2 4.1Å; V24-Y26 HydrophobicContact CB-CE2 4.11Å; V24-Y26 HydrophobicContact CG2-CD2 4.33Å; V24-Y26 HydrophobicContact CG2-CE2 3.81Å; Y26-T30 WeakPolarHBondContact CA-O 3.38Å; Y26-Q31 HydrophobicContact CD1-CB 4.07Å; Y26-Q31 HydrophobicContact CD2-CB 4.42Å; Y26-Q31 HydrophobicContact CD2-CG 4.24Å; Y26-Q31 HydrophobicContact CE1-CB 3.65Å; Y26-Q31 HydrophobicContact CE1-CG 4.37Å; Y26-Q31 HydrophobicContact CE2-CB 4.03Å; Y26-Q31 HydrophobicContact CE2-CG 3.82Å; Y26-Q31 HydrophobicContact CG-CB 4.43Å
27V98.5Very high97.5Very high0 Ų032.6 Ų32.60%018%0.177CC..EExtended strand (participates in β ladder)trans-112.6116.9157.9174.50000105.9S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 VanDerWaalsContact O-CA 3.31Å; S3-V27 WeakPolarHBondContact O-CA 3.3Å; M4-V27 HydrophobicContact CB-CG2 4.47Å; M4-V27 HydrophobicContact CG-CG2 4.3Å; V27-D29 PolarHBondContact O-N 2.91Å; V27-T30 PolarHBondContact N-O 2.97Å; V27-T30 WeakPolarHBondContact O-CB 3.49Å; V27-T30 PolarHBondContact O-N 2.81Å; V27-F32 HydrophobicContact CG2-CD1 3.92Å; V27-F32 HydrophobicContact CG2-CE1 3.94Å; V27-W50 HydrophobicContact CB-CH2 4.26Å; V27-W50 HydrophobicContact CB-CZ2 4.34Å; V27-W50 HydrophobicContact CG2-CH2 3.82Å; V27-W50 HydrophobicContact CG2-CZ2 4.4Å; V27-L167 HydrophobicContact CG1-CD1 3.59Å; V27-L167 HydrophobicContact CG2-CD1 4.2Å; V27-Y170 HydrophobicContact CG2-CD2 3.76Å; V27-Y170 HydrophobicContact CG2-CG 4.36Å; V27-L171 HydrophobicContact CG1-CD2 4.04Å; V27-L178 HydrophobicContact CB-CD1 4.34Å; V27-L178 HydrophobicContact CB-CD2 4.25Å; V27-L178 HydrophobicContact CG1-CD1 3.91Å; V27-L178 HydrophobicContact CG1-CD2 4.13Å
28D97.1Very high97.8Very high31 Ų3133.6 Ų33.617%0.16617%0.168CC..THydrogen-bonded Turntrans46.8-132.4-165.1-55.2-46.5000110.4H2 S3 T30H2-D28 VanDerWaalsContact CA-OD1 3.31Å; H2-D28 WeakPolarHBondContact CA-OD1 3.42Å; H2-D28 IonicContact CE1-OD2 2.69Å; H2-D28 IonicContact CG-OD2 2.84Å; H2-D28 IonicContact ND1-OD2 3.68Å; H2-D28 PolarHBondContact ND1-OD2 3.42Å; S3-D28 PolarHBondContact N-OD1 3.14Å; S3-D28 PolarHBondContact O-N 3.09Å; S3-D28 WeakPolarHBondContact OG-CA 3.36Å; S3-D28 PolarHBondContact OG-OD1 3.09Å; D28-T30 PolarHBondContact O-N 3.44Å
29D96.7Very high98Very high60 Ų6031 Ų3132%0.32116%0.161SC..THydrogen-bonded Turntrans-79.91.5179.7-61.7-60000114.3V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 2.91Å; D29-Y208 HydrophobicContact CB-CE2 4.01Å; D29-P209 VanDerWaalsContact OD2-CB 3.22Å; D29-P209 WeakPolarHBondContact OD2-CB 3.35Å; D29-A210 HydrophobicContact CB-CB 4.37Å; D29-A210 VanDerWaalsContact CG-CB 3.49Å; D29-A210 WeakPolarHBondContact OD1-CB 3.36Å; D29-A210 WeakPolarHBondContact OD2-CB 3.48Å; D29-A210 PolarHBondContact OD2-N 3Å; D29-F240 HydrophobicContact CB-CE2 3.7Å; D29-F240 HydrophobicContact CB-CZ 3.76Å
30T97.3Very high98.1Very high28 Ų2835.3 Ų35.317%0.17220%0.2CC..EExtended strand (participates in β ladder)trans-99111.8-174.9-59.90000112.1Y26 V27 D28 F32 A48 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.38Å; V27-T30 PolarHBondContact N-O 2.97Å; V27-T30 WeakPolarHBondContact O-CB 3.49Å; V27-T30 PolarHBondContact O-N 2.81Å; D28-T30 PolarHBondContact O-N 3.44Å; T30-F32 PolarHBondContact O-N 2.88Å; T30-A48 HydrophobicContact CG2-CB 4.26Å; T30-L178 HydrophobicContact CG2-CD2 4.04Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.42Å; T30-Y208 PolarHBondContact OG1-OH 2.67Å
31Q97.7Very high97.9Very high51 Ų5137.1 Ų37.124%0.23822%0.217CC..EExtended strand (participates in β ladder)trans-66.1127.4171.1-165.9-175-1.600110.5V24 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.28Å; Y26-Q31 HydrophobicContact CD1-CB 4.07Å; Y26-Q31 HydrophobicContact CD2-CB 4.42Å; Y26-Q31 HydrophobicContact CD2-CG 4.24Å; Y26-Q31 HydrophobicContact CE1-CB 3.65Å; Y26-Q31 HydrophobicContact CE1-CG 4.37Å; Y26-Q31 HydrophobicContact CE2-CB 4.03Å; Y26-Q31 HydrophobicContact CE2-CG 3.82Å; Y26-Q31 HydrophobicContact CG-CB 4.43Å; Q31-V33 PolarHBondContact NE2-O 3.1Å; Q31-R47 HydrophobicContact CG-CB 4.17Å; Q31-R47 HydrophobicContact CG-CG 4.46Å; Q31-R47 CarbonylContact O-C 3.4Å
32F98.2Very high97.9Very high0 Ų038.7 Ų38.70%023%0.228CC..EExtended strand (participates in β ladder)trans-116-19.7177.974.2-90.3000114.3M4 Y6 G25 V27 T30 P46 R47 A48 W50 V51 Y170M4-F32 HydrophobicContact CG-CE1 4.31Å; M4-F32 HydrophobicContact SD-CZ 4.29Å; Y6-F32 HydrophobicContact CE1-CZ 4.05Å; Y6-F32 AromaticContact CZ-CZ 3.82Å; G25-F32 VanDerWaalsContact C-CD1 3.42Å; G25-F32 WeakPolarHBondContact O-CD1 3.41Å; G25-F32 PolarHBondContact O-N 3.28Å; V27-F32 HydrophobicContact CG2-CD1 3.92Å; V27-F32 HydrophobicContact CG2-CE1 3.94Å; T30-F32 PolarHBondContact O-N 2.88Å; F32-P46 CarbonylContact O-C 3.48Å; F32-R47 PolarHBondContact O-N 3.12Å; F32-A48 HydrophobicContact CB-CB 4.23Å; F32-W50 HydrophobicContact CB-CH2 3.17Å; F32-W50 HydrophobicContact CB-CZ2 3.46Å; F32-W50 VanDerWaalsContact CB-CZ2 3.46Å; F32-W50 HydrophobicContact CB-CZ3 3.88Å; F32-W50 AromaticContact CD1-CH2 3.88Å; F32-W50 HydrophobicContact CD1-CH2 3.88Å; F32-W50 HydrophobicContact CD2-CH2 4.08Å; F32-W50 HydrophobicContact CD2-CZ3 4.27Å; F32-W50 AromaticContact CG-CH2 3.47Å; F32-W50 HydrophobicContact CG-CH2 3.47Å; F32-W50 VanDerWaalsContact CG-CH2 3.47Å; F32-W50 HydrophobicContact CG-CZ2 4.21Å; F32-W50 HydrophobicContact CG-CZ3 4.1Å; F32-V51 HydrophobicContact CB-CG1 4.47Å; F32-V51 HydrophobicContact CD2-CG1 4.47Å; F32-V51 HydrophobicContact CD2-CG2 4.21Å; F32-V51 WeakPolarHBondContact O-CG1 3.43Å; F32-Y170 HydrophobicContact CD2-CE2 4.39Å; F32-Y170 HydrophobicContact CE1-CE2 4.35Å; F32-Y170 HydrophobicContact CE2-CD2 4.41Å; F32-Y170 AromaticContact CE2-CE2 3.66Å; F32-Y170 HydrophobicContact CE2-CE2 3.66Å; F32-Y170 AromaticContact CE2-CZ 3.94Å; F32-Y170 HydrophobicContact CZ-CD2 4.27Å; F32-Y170 AromaticContact CZ-CE2 3.64Å; F32-Y170 HydrophobicContact CZ-CE2 3.64Å
33V98.4Very high97.8Very high0 Ų043.5 Ų43.50%024%0.243CC..EExtended strand (participates in β ladder)trans-142.8148.1-179.763.30000112.8Y6 V24 G25 Q31 E45 W59 Y66Y6-V33 HydrophobicContact CE1-CG1 4.14Å; V24-V33 WeakPolarHBondContact CA-O 3.32Å; G25-V33 PolarHBondContact N-O 3.44Å; G25-V33 PolarHBondContact O-N 3Å; Q31-V33 PolarHBondContact NE2-O 3.1Å; V33-E45 WeakPolarHBondContact CA-O 3.45Å; V33-W59 HydrophobicContact CG2-CZ3 4.08Å; V33-Y66 WeakPolarHBondContact CG1-OH 3.44Å; V33-Y66 HydrophobicContact CG2-CE2 4.18Å; V33-Y66 WeakPolarHBondContact CG2-OH 3.38Å
34R98.4Very high97.8Very high81 Ų8143.7 Ų43.731%0.30625%0.245SC..EExtended strand (participates in β ladder)trans-131.1149.7165.9-176.2176.3177.3124.1-1.1110.2A23 V24 D36 E45 R47A23-R34 CarbonylContact O-C 3.55Å; A23-R34 WeakPolarHBondContact O-CA 3.38Å; V24-R34 HydrophobicContact CG1-CG 4.33Å; R34-D36 IonicContact CZ-OD2 3.4Å; R34-D36 IonicContact NE-OD2 3.01Å; R34-D36 IonicContact NH2-OD2 2.76Å; R34-D36 PolarHBondContact NH2-OD2 2.69Å; R34-E45 PolarHBondContact N-O 3.14Å; R34-E45 PolarHBondContact O-N 3.07Å; R34-R47 HydrophobicContact CB-CG 4.05Å
35F98.8Very high97.7Very high4 Ų445 Ų452%0.01825%0.25CC..EExtended strand (participates in β ladder)trans-133.8145.8158174.1-78.1000108.3F21 A23 P42 R43 Y66 K67F21-F35 AromaticContact CD1-CD1 3.74Å; F21-F35 HydrophobicContact CD1-CD1 3.74Å; F21-F35 AromaticContact CD1-CE1 3.81Å; F21-F35 HydrophobicContact CD1-CE1 3.81Å; F21-F35 AromaticContact CE1-CD1 3.9Å; F21-F35 HydrophobicContact CE1-CD1 3.9Å; F21-F35 HydrophobicContact CE1-CE1 4.26Å; A23-F35 HydrophobicContact CB-CB 4.25Å; A23-F35 PolarHBondContact N-O 3.02Å; A23-F35 PolarHBondContact O-N 2.82Å; F35-P42 HydrophobicContact CE1-CB 4.46Å; F35-P42 HydrophobicContact CE2-CB 3.93Å; F35-P42 HydrophobicContact CZ-CB 3.65Å; F35-R43 VanDerWaalsContact CD2-C 3.41Å; F35-R43 WeakPolarHBondContact CD2-O 3.34Å; F35-Y66 HydrophobicContact CB-CD1 4.38Å; F35-Y66 HydrophobicContact CB-CD2 3.49Å; F35-Y66 VanDerWaalsContact CB-CD2 3.49Å; F35-Y66 HydrophobicContact CB-CE2 3.99Å; F35-Y66 HydrophobicContact CB-CG 3.72Å; F35-Y66 HydrophobicContact CD1-CG 4.46Å; F35-Y66 AromaticContact CD2-CD2 3.68Å; F35-Y66 HydrophobicContact CD2-CD2 3.68Å; F35-Y66 AromaticContact CD2-CG 3.96Å; F35-Y66 HydrophobicContact CD2-CG 3.96Å; F35-Y66 AromaticContact CG-CD2 3.79Å; F35-Y66 HydrophobicContact CG-CD2 3.79Å; F35-Y66 AromaticContact CG-CG 3.81Å; F35-Y66 HydrophobicContact CG-CG 3.81Å; F35-K67 HydrophobicContact CE2-CG 4.04Å; F35-K67 HydrophobicContact CZ-CG 3.89Å
36D98.6Very high97.7Very high25 Ų2547.3 Ų47.313%0.13426%0.264CS..EExtended strand (participates in β ladder)trans-140.6123.4179.1-159.8-45.7000109.2H20 R34 D38 A39H20-D36 IonicContact CD2-OD1 3.35Å; H20-D36 IonicContact CE1-OD1 3.68Å; H20-D36 IonicContact NE2-OD1 2.86Å; H20-D36 PolarHBondContact NE2-OD1 2.98Å; H20-D36 IonicContact NE2-OD2 3.7Å; R34-D36 IonicContact CZ-OD2 3.4Å; R34-D36 IonicContact NE-OD2 3.01Å; R34-D36 IonicContact NH2-OD2 2.76Å; R34-D36 PolarHBondContact NH2-OD2 2.69Å; D36-D38 PolarHBondContact O-N 2.97Å; D36-D38 PolarHBondContact OD1-N 2.89Å; D36-D38 VanDerWaalsContact OD1-N 3.17Å; D36-A39 HydrophobicContact CB-CB 4.35Å; D36-A39 PolarHBondContact O-N 3.27Å
37S98.1Very high97.6Very high35 Ų3549.8 Ų49.825%0.24527%0.273CS..THydrogen-bonded Turntrans-68.3-21.6-17866.50000113.9H20 F21 P42H20-S37 PolarHBondContact CD2-OG 2.75Å; F21-S37 PolarHBondContact N-OG 3.31Å; F21-S37 PolarHBondContact O-N 3.43Å; F21-S37 PolarHBondContact O-OG 2.85Å; S37-P42 WeakPolarHBondContact O-CG 3.27Å
38D97.1Very high97.5Very high82 Ų8250 Ų5044%0.43928%0.275SS..THydrogen-bonded Turntrans-96.9-2.6-174-77.437.6000112.4R13 H20 D36R13-D38 IonicContact CZ-OD1 2.65Å; R13-D38 IonicContact CZ-OD2 3.21Å; R13-D38 IonicContact NH1-OD1 2.67Å; R13-D38 IonicContact NH1-OD2 2.73Å; R13-D38 PolarHBondContact NH1-OD2 2.92Å; R13-D38 IonicContact NH2-OD1 3.08Å; R13-D38 PolarHBondContact NH2-OD1 2.84Å; R13-D38 IonicContact NH2-OD2 3.49Å; R13-D38 PolarHBondContact NH2-OD2 3.23Å; H20-D38 IonicContact CD2-OD1 2.63Å; H20-D38 PolarHBondContact CD2-OD1 2.88Å; H20-D38 IonicContact CG-OD1 2.78Å; H20-D38 IonicContact NE2-OD1 3.3Å; D36-D38 PolarHBondContact O-N 2.97Å; D36-D38 PolarHBondContact OD1-N 2.89Å; D36-D38 VanDerWaalsContact OD1-N 3.17Å
39A97.2Very high97.4Very high35 Ų3553.3 Ų53.329%0.28930%0.298SS..SBendtrans-61.9147.3170.700000111.2D36 S41 P42D36-A39 HydrophobicContact CB-CB 4.35Å; D36-A39 PolarHBondContact O-N 3.27Å; A39-S41 PolarHBondContact O-N 2.98Å; A39-P42 WeakPolarHBondContact O-CD 3.35Å; A39-P42 VanDerWaalsContact O-CG 3.3Å; A39-P42 WeakPolarHBondContact O-CG 3.35Å
40A96.7Very high97.4Very high117 Ų11751.2 Ų51.297%0.96729%0.286SS*.SBendtrans-60.7-19-179.300000114.3
41S95.9Very high97.4Very high83 Ų8349.9 Ų49.958%0.5828%0.278SS*.SBendtrans-143.190.3168.1-167.30000109.3A39 R43A39-S41 PolarHBondContact O-N 2.98Å; S41-R43 PolarHBondContact O-N 3.32Å; S41-R43 VanDerWaalsContact O-N 3.13Å
42P96.9Very high97.3Very high36 Ų3653.1 Ų53.123%0.23429%0.293CS..  trans-65114.8-173.6-25.536.7000111.9F35 S37 A39 K67F35-P42 HydrophobicContact CE1-CB 4.46Å; F35-P42 HydrophobicContact CE2-CB 3.93Å; F35-P42 HydrophobicContact CZ-CB 3.65Å; S37-P42 WeakPolarHBondContact O-CG 3.27Å; A39-P42 WeakPolarHBondContact O-CD 3.35Å; A39-P42 VanDerWaalsContact O-CG 3.3Å; A39-P42 WeakPolarHBondContact O-CG 3.35Å; P42-K67 WeakPolarHBondContact O-CE 3.38Å; P42-K67 PolarHBondContact O-NZ 3.4Å
43R97.8Very high97.1Very high147 Ų14759.3 Ų59.356%0.55532%0.322SS*.  trans-148.6163.3178.963.8-176.5176.9173.90110.3F35 S41 E45 T63F35-R43 VanDerWaalsContact CD2-C 3.41Å; F35-R43 WeakPolarHBondContact CD2-O 3.34Å; S41-R43 PolarHBondContact O-N 3.32Å; S41-R43 VanDerWaalsContact O-N 3.13Å; R43-E45 HydrophobicContact CG-CG 4.17Å; R43-T63 HydrophobicContact CB-CG2 4.29Å
44G97.4Very high97Very high4 Ų459.7 Ų59.74%0.04132%0.324CS..  trans-67.2133.8165.300000109.6T63G44-T63 PolarHBondContact N-OG1 3.14Å
45E97.7Very high96.9Very high54 Ų5457.5 Ų57.525%0.25233%0.326SS..EExtended strand (participates in β ladder)trans-123.9134.6-178.7-60.6-175.7142.500110.4V33 R34 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.45Å; R34-E45 PolarHBondContact N-O 3.14Å; R34-E45 PolarHBondContact O-N 3.07Å; R43-E45 HydrophobicContact CG-CG 4.17Å; E45-R47 IonicContact OE2-CZ 3.52Å; E45-R47 IonicContact OE2-NH2 3.41Å; E45-R47 PolarHBondContact OE2-NH2 3.21Å
46P97.9Very high96.8Very high47 Ų4762 Ų6231%0.30536%0.356SS..EExtended strand (participates in β ladder)trans-64.7148.4173.428.2-34.6000111.4F32 V51 E52 W59F32-P46 CarbonylContact O-C 3.48Å; P46-V51 HydrophobicContact CB-CG1 3.8Å; P46-E52 HydrophobicContact CB-CG 3.61Å; P46-E52 HydrophobicContact CG-CG 3.86Å; P46-W59 HydrophobicContact CB-CH2 3.73Å; P46-W59 HydrophobicContact CB-CZ2 3.88Å; P46-W59 HydrophobicContact CG-CH2 4.3Å; P46-W59 HydrophobicContact CG-CZ2 4.31Å
47R97.4Very high96.7Very high125 Ų12568.7 Ų68.747%0.47239%0.386SS..  trans-132.7-1.2175-60-66.5165.8170.2-5.4113.6Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.17Å; Q31-R47 HydrophobicContact CG-CG 4.46Å; Q31-R47 CarbonylContact O-C 3.4Å; F32-R47 PolarHBondContact O-N 3.12Å; R34-R47 HydrophobicContact CB-CG 4.05Å; E45-R47 IonicContact OE2-CZ 3.52Å; E45-R47 IonicContact OE2-NH2 3.41Å; E45-R47 PolarHBondContact OE2-NH2 3.21Å
48A96Very high96.7Very high5 Ų567.3 Ų67.34%0.04138%0.376CS..SBendtrans-139.9141.1170.400000110.4T30 F32 W50 V51T30-A48 HydrophobicContact CG2-CB 4.26Å; F32-A48 HydrophobicContact CB-CB 4.23Å; A48-W50 VanDerWaalsContact C-N 3.26Å; A48-W50 HydrophobicContact CB-CD2 4.3Å; A48-W50 HydrophobicContact CB-CG 4.45Å; A48-W50 HydrophobicContact CB-CZ2 4.15Å; A48-W50 PolarHBondContact O-N 3.26Å; A48-W50 VanDerWaalsContact O-N 3.13Å; A48-V51 WeakPolarHBondContact O-CG1 3.12Å; A48-V51 PolarHBondContact O-N 3.3Å
49P95.9Very high96.7Very high101 Ų10165.2 Ų65.266%0.65636%0.362SS*.Hα-helixtrans-58.1-33.2-172.9-28.135.7000114.7V51 E52P49-V51 PolarHBondContact O-N 3.2Å; P49-V51 VanDerWaalsContact O-N 3.12Å; P49-E52 WeakPolarHBondContact O-CB 3.15Å; P49-E52 PolarHBondContact O-N 3.1Å
50W95.9Very high96.8Very high15 Ų1568.5 Ų68.56%0.05737%0.374CS..Hα-helixtrans-69.1-8.6-176.655-108000115.1V27 F32 A48 Q53 Y170 N173 G174 L178V27-W50 HydrophobicContact CB-CH2 4.26Å; V27-W50 HydrophobicContact CB-CZ2 4.34Å; V27-W50 HydrophobicContact CG2-CH2 3.82Å; V27-W50 HydrophobicContact CG2-CZ2 4.4Å; F32-W50 HydrophobicContact CB-CH2 3.17Å; F32-W50 HydrophobicContact CB-CZ2 3.46Å; F32-W50 VanDerWaalsContact CB-CZ2 3.46Å; F32-W50 HydrophobicContact CB-CZ3 3.88Å; F32-W50 AromaticContact CD1-CH2 3.88Å; F32-W50 HydrophobicContact CD1-CH2 3.88Å; F32-W50 HydrophobicContact CD2-CH2 4.08Å; F32-W50 HydrophobicContact CD2-CZ3 4.27Å; F32-W50 AromaticContact CG-CH2 3.47Å; F32-W50 HydrophobicContact CG-CH2 3.47Å; F32-W50 VanDerWaalsContact CG-CH2 3.47Å; F32-W50 HydrophobicContact CG-CZ2 4.21Å; F32-W50 HydrophobicContact CG-CZ3 4.1Å; A48-W50 VanDerWaalsContact C-N 3.26Å; A48-W50 HydrophobicContact CB-CD2 4.3Å; A48-W50 HydrophobicContact CB-CG 4.45Å; A48-W50 HydrophobicContact CB-CZ2 4.15Å; A48-W50 PolarHBondContact O-N 3.26Å; A48-W50 VanDerWaalsContact O-N 3.13Å; W50-Q53 WeakPolarHBondContact O-CG 3.32Å; W50-Y170 HydrophobicContact CE3-CD1 4.24Å; W50-Y170 HydrophobicContact CE3-CG 4.35Å; W50-Y170 HydrophobicContact CH2-CD2 4.28Å; W50-Y170 AromaticContact CH2-CG 4Å; W50-Y170 HydrophobicContact CH2-CG 4Å; W50-Y170 VanDerWaalsContact CZ3-CB 3.49Å; W50-Y170 AromaticContact CZ3-CD1 3.6Å; W50-Y170 HydrophobicContact CZ3-CD1 3.6Å; W50-Y170 HydrophobicContact CZ3-CD2 4.08Å; W50-Y170 HydrophobicContact CZ3-CE1 4.35Å; W50-Y170 AromaticContact CZ3-CG 3.45Å; W50-Y170 HydrophobicContact CZ3-CG 3.45Å; W50-Y170 VanDerWaalsContact CZ3-CG 3.45Å; W50-N173 HydrophobicContact CB-CB 4.25Å; W50-G174 VanDerWaalsContact CB-CA 3.41Å; W50-G174 VanDerWaalsContact CG-CA 3.42Å; W50-L178 HydrophobicContact CD2-CD1 4.33Å; W50-L178 HydrophobicContact CH2-CD1 4.32Å; W50-L178 HydrophobicContact CZ2-CD1 3.73Å; W50-L178 HydrophobicContact CZ2-CD2 4.03Å; W50-L178 HydrophobicContact CZ2-CG 4.31Å
51V97.2Very high96.8Very high0 Ų067.8 Ų67.80%035%0.347CS..Hα-helixtrans-102.8-1317184.10000112.8F32 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-V51 HydrophobicContact CB-CG1 4.47Å; F32-V51 HydrophobicContact CD2-CG1 4.47Å; F32-V51 HydrophobicContact CD2-CG2 4.21Å; F32-V51 WeakPolarHBondContact O-CG1 3.43Å; P46-V51 HydrophobicContact CB-CG1 3.8Å; A48-V51 WeakPolarHBondContact O-CG1 3.12Å; A48-V51 PolarHBondContact O-N 3.3Å; P49-V51 PolarHBondContact O-N 3.2Å; P49-V51 VanDerWaalsContact O-N 3.12Å; V51-Q53 PolarHBondContact O-N 2.81Å; V51-E54 HydrophobicContact CG2-CB 4.44Å; V51-E54 HydrophobicContact CG2-CG 3.73Å; V51-E54 VanDerWaalsContact O-CB 3.32Å; V51-E54 WeakPolarHBondContact O-CB 3.42Å; V51-E54 WeakPolarHBondContact O-CG 3.21Å; V51-E54 PolarHBondContact O-N 2.71Å; V51-Y58 HydrophobicContact CG2-CE1 4.13Å; V51-W59 HydrophobicContact CG1-CH2 3.86Å; V51-W59 HydrophobicContact CG1-CZ2 3.97Å; V51-W59 HydrophobicContact CG2-CH2 4.34Å; V51-W59 HydrophobicContact CG2-CZ2 4.21Å; V51-W59 WeakPolarHBondContact O-CZ2 3.37Å; V51-Y170 HydrophobicContact CG2-CE1 4.18Å
52E95.6Very high96.9Very high120 Ų12063.9 Ų63.956%0.56132%0.319SS*.Hα-helixtrans-64-25.9178-64.4-179.7-169.900112.5P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.61Å; P46-E52 HydrophobicContact CG-CG 3.86Å; P49-E52 WeakPolarHBondContact O-CB 3.15Å; P49-E52 PolarHBondContact O-N 3.1Å; E52-E54 PolarHBondContact O-N 2.96Å
53Q94.3Very high96.9Very high129 Ų12962.6 Ų62.660%0.60331%0.311SS*.THydrogen-bonded Turntrans-72.8-5.6173.164.7173.122.600114.7W50 V51 N173W50-Q53 WeakPolarHBondContact O-CG 3.32Å; V51-Q53 PolarHBondContact O-N 2.81Å; Q53-N173 PolarHBondContact NE2-ND2 2.98Å; Q53-N173 PolarHBondContact NE2-OD1 2.9Å
54E96.6Very high97Very high9 Ų960.6 Ų60.64%0.04231%0.308CS..SBendtrans-73.6132.8174.4-65.4-63.1160.300110.9V51 E52 Y58 W59 R169 N173V51-E54 HydrophobicContact CG2-CB 4.44Å; V51-E54 HydrophobicContact CG2-CG 3.73Å; V51-E54 VanDerWaalsContact O-CB 3.32Å; V51-E54 WeakPolarHBondContact O-CB 3.42Å; V51-E54 WeakPolarHBondContact O-CG 3.21Å; V51-E54 PolarHBondContact O-N 2.71Å; E52-E54 PolarHBondContact O-N 2.96Å; E54-Y58 HydrophobicContact CB-CD1 3.51Å; E54-Y58 HydrophobicContact CB-CD2 4.45Å; E54-Y58 HydrophobicContact CB-CE1 4.07Å; E54-Y58 HydrophobicContact CB-CG 3.75Å; E54-Y58 HydrophobicContact CG-CD1 4.19Å; E54-Y58 HydrophobicContact CG-CE1 4.37Å; E54-Y58 HydrophobicContact CG-CG 4.3Å; E54-W59 PolarHBondContact O-NE1 3.17Å; E54-R169 VanDerWaalsContact CD-NH2 3.35Å; E54-R169 IonicContact OE1-CZ 3.37Å; E54-R169 IonicContact OE1-NE 3.82Å; E54-R169 PolarHBondContact OE1-NE 3.43Å; E54-R169 IonicContact OE1-NH2 2.79Å; E54-R169 PolarHBondContact OE1-NH2 2.68Å; E54-R169 IonicContact OE2-CZ 2.73Å; E54-R169 IonicContact OE2-NE 2.76Å; E54-R169 PolarHBondContact OE2-NE 3.38Å; E54-R169 IonicContact OE2-NH2 2.88Å; E54-R169 PolarHBondContact OE2-NH2 3.21Å; E54-N173 PolarHBondContact OE1-ND2 2.63Å; E54-N173 VanDerWaalsContact OE1-ND2 3.11Å
55G95.9Very high96.9Very high35 Ų3563.2 Ų63.236%0.36132%0.318SS..  trans-69.8170.2-171.300000115.1E57 Y58 W59G55-E57 VanDerWaalsContact C-N 3.27Å; G55-E57 PolarHBondContact O-N 3.31Å; G55-Y58 WeakPolarHBondContact O-CB 3.38Å; G55-Y58 PolarHBondContact O-N 2.02Å; G55-W59 PolarHBondContact O-N 2.93Å
56P96.8Very high97Very high99 Ų9960.7 Ų60.764%0.64331%0.306SS*.Hα-helixtrans-57-37.8-176.722.6-33.5000113.1Y58 W59 D60P56-Y58 PolarHBondContact O-N 2.9Å; P56-W59 PolarHBondContact O-N 3.42Å; P56-W59 VanDerWaalsContact O-N 3.08Å; P56-D60 PolarHBondContact O-N 2.88Å
57E97.3Very high97Very high165 Ų16562.3 Ų62.377%0.77131%0.308SS*.Hα-helixtrans-57.9-33.6176.5-61.3-178.217800113.4G55 R61G55-E57 VanDerWaalsContact C-N 3.27Å; G55-E57 PolarHBondContact O-N 3.31Å; E57-R61 WeakPolarHBondContact O-CB 3.43Å; E57-R61 PolarHBondContact O-N 3.05Å; E57-R61 VanDerWaalsContact O-N 3.12Å
58Y97.4Very high97Very high6 Ų663.9 Ų63.92%0.02431%0.314CS..Hα-helixtrans-67.3-53.1173.1167.4-90.6000109.8V51 E54 G55 P56 D60 R61 E62 W166 Y170V51-Y58 HydrophobicContact CG2-CE1 4.13Å; E54-Y58 HydrophobicContact CB-CD1 3.51Å; E54-Y58 HydrophobicContact CB-CD2 4.45Å; E54-Y58 HydrophobicContact CB-CE1 4.07Å; E54-Y58 HydrophobicContact CB-CG 3.75Å; E54-Y58 HydrophobicContact CG-CD1 4.19Å; E54-Y58 HydrophobicContact CG-CE1 4.37Å; E54-Y58 HydrophobicContact CG-CG 4.3Å; G55-Y58 WeakPolarHBondContact O-CB 3.38Å; G55-Y58 PolarHBondContact O-N 2.02Å; P56-Y58 PolarHBondContact O-N 2.9Å; Y58-D60 PolarHBondContact O-N 2.84Å; Y58-R61 VanDerWaalsContact CD2-NH2 3.35Å; Y58-R61 PolarHBondContact O-N 3.2Å; Y58-R61 VanDerWaalsContact O-N 3.17Å; Y58-E62 HydrophobicContact CD1-CG 4.38Å; Y58-E62 HydrophobicContact CD2-CG 4.06Å; Y58-E62 HydrophobicContact CE1-CG 4.03Å; Y58-E62 HydrophobicContact CE2-CG 3.66Å; Y58-E62 HydrophobicContact CG-CG 4.38Å; Y58-E62 WeakPolarHBondContact O-CG 2.94Å; Y58-E62 PolarHBondContact O-N 2.81Å; Y58-W166 HydrophobicContact CD2-CE3 4.46Å; Y58-W166 AromaticContact CD2-CH2 3.74Å; Y58-W166 HydrophobicContact CD2-CH2 3.74Å; Y58-W166 AromaticContact CD2-CZ3 3.68Å; Y58-W166 HydrophobicContact CD2-CZ3 3.68Å; Y58-W166 HydrophobicContact CE2-CE3 4.16Å; Y58-W166 HydrophobicContact CE2-CH2 4.25Å; Y58-W166 AromaticContact CE2-CZ3 3.8Å; Y58-W166 HydrophobicContact CE2-CZ3 3.8Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.26Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.01Å; Y58-Y170 PolarHBondContact OH-OH 3.24Å
59W97.9Very high97.1Very high38 Ų3864.7 Ų64.714%0.14432%0.317CS..Hα-helixtrans-63.3-38.4-176.9-68.7108.7000113.5V33 P46 V51 E54 G55 P56 T63V33-W59 HydrophobicContact CG2-CZ3 4.08Å; P46-W59 HydrophobicContact CB-CH2 3.73Å; P46-W59 HydrophobicContact CB-CZ2 3.88Å; P46-W59 HydrophobicContact CG-CH2 4.3Å; P46-W59 HydrophobicContact CG-CZ2 4.31Å; V51-W59 HydrophobicContact CG1-CH2 3.86Å; V51-W59 HydrophobicContact CG1-CZ2 3.97Å; V51-W59 HydrophobicContact CG2-CH2 4.34Å; V51-W59 HydrophobicContact CG2-CZ2 4.21Å; V51-W59 WeakPolarHBondContact O-CZ2 3.37Å; E54-W59 PolarHBondContact O-NE1 3.17Å; G55-W59 PolarHBondContact O-N 2.93Å; P56-W59 PolarHBondContact O-N 3.42Å; P56-W59 VanDerWaalsContact O-N 3.08Å; W59-T63 WeakPolarHBondContact O-CB 3.34Å; W59-T63 PolarHBondContact O-N 2.69Å; W59-T63 PolarHBondContact O-OG1 3Å
60D97.9Very high97.2Very high104 Ų10460.7 Ų60.756%0.55629%0.293SS*.Hα-helixtrans-64.5-48.2172.4-78.4-34.5000111.1P56 Y58 E62 T63 Q64P56-D60 PolarHBondContact O-N 2.88Å; Y58-D60 PolarHBondContact O-N 2.84Å; D60-E62 PolarHBondContact O-N 3.32Å; D60-T63 WeakPolarHBondContact O-CB 3.16Å; D60-T63 PolarHBondContact O-N 2.97Å; D60-Q64 VanDerWaalsContact O-CG 3.28Å; D60-Q64 WeakPolarHBondContact O-CG 3.35Å; D60-Q64 PolarHBondContact O-N 3.23Å
61R97.2Very high97.3Very high101 Ų10164.8 Ų64.838%0.38131%0.313SS..Hα-helixtrans-61.7-45.8-179.8-174.7-170.569.5-151-0.6112.2E57 Y58 Q64 K65E57-R61 WeakPolarHBondContact O-CB 3.43Å; E57-R61 PolarHBondContact O-N 3.05Å; E57-R61 VanDerWaalsContact O-N 3.12Å; Y58-R61 VanDerWaalsContact CD2-NH2 3.35Å; Y58-R61 PolarHBondContact O-N 3.2Å; Y58-R61 VanDerWaalsContact O-N 3.17Å; R61-Q64 PolarHBondContact O-N 2.91Å; R61-K65 WeakPolarHBondContact O-CG 3.47Å; R61-K65 PolarHBondContact O-N 3.41Å
62E97.4Very high97.3Very high2 Ų268.4 Ų68.41%0.00933%0.334CS..Hα-helixtrans-67.1-41.3177-58.2-42.2120.700111Y58 D60 Q64 K65 Y66Y58-E62 HydrophobicContact CD1-CG 4.38Å; Y58-E62 HydrophobicContact CD2-CG 4.06Å; Y58-E62 HydrophobicContact CE1-CG 4.03Å; Y58-E62 HydrophobicContact CE2-CG 3.66Å; Y58-E62 HydrophobicContact CG-CG 4.38Å; Y58-E62 WeakPolarHBondContact O-CG 2.94Å; Y58-E62 PolarHBondContact O-N 2.81Å; D60-E62 PolarHBondContact O-N 3.32Å; E62-Q64 VanDerWaalsContact C-N 3.28Å; E62-Q64 PolarHBondContact O-N 3.43Å; E62-K65 WeakPolarHBondContact O-CB 3.45Å; E62-K65 PolarHBondContact O-N 3.35Å; E62-K65 WeakPolarHBondContact OE1-CE 3.43Å; E62-K65 IonicContact OE1-NZ 2.74Å; E62-K65 PolarHBondContact OE1-NZ 3.35Å; E62-K65 VanDerWaalsContact OE2-CD 3.29Å; E62-K65 WeakPolarHBondContact OE2-CD 3.48Å; E62-K65 VanDerWaalsContact OE2-CE 3.27Å; E62-K65 WeakPolarHBondContact OE2-CE 3.3Å; E62-K65 IonicContact OE2-NZ 3.14Å; E62-K65 PolarHBondContact OE2-NZ 3.21Å; E62-Y66 HydrophobicContact CB-CE2 4.03Å; E62-Y66 WeakPolarHBondContact O-CD2 3.5Å; E62-Y66 PolarHBondContact O-N 3.41Å
63T98.3Very high97.4Very high9 Ų962.8 Ų62.86%0.05531%0.308CS..Hα-helixtrans-55.3-41.7171.8-65.30000112.2R43 G44 W59 D60 Y66 K67R43-T63 HydrophobicContact CB-CG2 4.29Å; G44-T63 PolarHBondContact N-OG1 3.14Å; W59-T63 WeakPolarHBondContact O-CB 3.34Å; W59-T63 PolarHBondContact O-N 2.69Å; W59-T63 PolarHBondContact O-OG1 3Å; D60-T63 WeakPolarHBondContact O-CB 3.16Å; D60-T63 PolarHBondContact O-N 2.97Å; T63-Y66 PolarHBondContact O-N 2.99Å; T63-K67 HydrophobicContact CG2-CD 3.94Å; T63-K67 WeakPolarHBondContact O-CB 3.42Å; T63-K67 WeakPolarHBondContact O-CG 3.38Å; T63-K67 PolarHBondContact O-N 3.07Å
64Q98.2Very high97.5Very high104 Ų10459.8 Ų59.849%0.48629%0.292SS..Hα-helixtrans-76.6-18.1176.9-63.5-63-7.600113.6D60 R61 E62 R68D60-Q64 VanDerWaalsContact O-CG 3.28Å; D60-Q64 WeakPolarHBondContact O-CG 3.35Å; D60-Q64 PolarHBondContact O-N 3.23Å; R61-Q64 PolarHBondContact O-N 2.91Å; E62-Q64 VanDerWaalsContact C-N 3.28Å; E62-Q64 PolarHBondContact O-N 3.43Å; Q64-R68 WeakPolarHBondContact O-CB 3.49Å; Q64-R68 VanDerWaalsContact O-CG 3.31Å; Q64-R68 WeakPolarHBondContact O-CG 3.42Å; Q64-R68 PolarHBondContact O-N 2.93Å; Q64-R68 PolarHBondContact O-NE 3.49Å
65K97.2Very high97.5Very high60 Ų6062.9 Ų62.926%0.26131%0.311SS..Hα-helixtrans-71.5-52.9165.1-68.6-179.6-160.1165.50110.2R61 E62 K67 R68 Q69R61-K65 WeakPolarHBondContact O-CG 3.47Å; R61-K65 PolarHBondContact O-N 3.41Å; E62-K65 WeakPolarHBondContact O-CB 3.45Å; E62-K65 PolarHBondContact O-N 3.35Å; E62-K65 WeakPolarHBondContact OE1-CE 3.43Å; E62-K65 IonicContact OE1-NZ 2.74Å; E62-K65 PolarHBondContact OE1-NZ 3.35Å; E62-K65 VanDerWaalsContact OE2-CD 3.29Å; E62-K65 WeakPolarHBondContact OE2-CD 3.48Å; E62-K65 VanDerWaalsContact OE2-CE 3.27Å; E62-K65 WeakPolarHBondContact OE2-CE 3.3Å; E62-K65 IonicContact OE2-NZ 3.14Å; E62-K65 PolarHBondContact OE2-NZ 3.21Å; K65-K67 VanDerWaalsContact C-N 3.35Å; K65-K67 PolarHBondContact O-N 2.95Å; K65-R68 PolarHBondContact O-N 2.86Å; K65-R68 VanDerWaalsContact O-N 3.1Å; K65-Q69 PolarHBondContact O-N 3.49Å
66Y98.4Very high97.5Very high0 Ų062.9 Ų62.90%031%0.305CS..Hα-helixtrans-58.9-43.7-179-58.7-47.1000112.2Y8 A23 V33 F35 E62 T63 R68 Q69 A70Y8-Y66 HydrophobicContact CE1-CD1 4.02Å; Y8-Y66 AromaticContact CE1-CE1 3.8Å; Y8-Y66 HydrophobicContact CE1-CE1 3.8Å; A23-Y66 HydrophobicContact CB-CD1 3.69Å; A23-Y66 HydrophobicContact CB-CE1 3.83Å; A23-Y66 HydrophobicContact CB-CG 4.44Å; V33-Y66 WeakPolarHBondContact CG1-OH 3.44Å; V33-Y66 HydrophobicContact CG2-CE2 4.18Å; V33-Y66 WeakPolarHBondContact CG2-OH 3.38Å; F35-Y66 HydrophobicContact CB-CD1 4.38Å; F35-Y66 HydrophobicContact CB-CD2 3.49Å; F35-Y66 VanDerWaalsContact CB-CD2 3.49Å; F35-Y66 HydrophobicContact CB-CE2 3.99Å; F35-Y66 HydrophobicContact CB-CG 3.72Å; F35-Y66 HydrophobicContact CD1-CG 4.46Å; F35-Y66 AromaticContact CD2-CD2 3.68Å; F35-Y66 HydrophobicContact CD2-CD2 3.68Å; F35-Y66 AromaticContact CD2-CG 3.96Å; F35-Y66 HydrophobicContact CD2-CG 3.96Å; F35-Y66 AromaticContact CG-CD2 3.79Å; F35-Y66 HydrophobicContact CG-CD2 3.79Å; F35-Y66 AromaticContact CG-CG 3.81Å; F35-Y66 HydrophobicContact CG-CG 3.81Å; E62-Y66 HydrophobicContact CB-CE2 4.03Å; E62-Y66 WeakPolarHBondContact O-CD2 3.5Å; E62-Y66 PolarHBondContact O-N 3.41Å; T63-Y66 PolarHBondContact O-N 2.99Å; Y66-R68 VanDerWaalsContact C-N 3.34Å; Y66-R68 PolarHBondContact O-N 2.9Å; Y66-Q69 PolarHBondContact O-N 3.41Å; Y66-A70 WeakPolarHBondContact O-CB 3.46Å; Y66-A70 PolarHBondContact O-N 3.45Å
67K98.2Very high97.5Very high81 Ų8158.4 Ų58.435%0.35228%0.276SS..Hα-helixtrans-63.7-34.2176.1-74.5175.3-179.7168.80113.6F35 P42 T63 K65 Q71F35-K67 HydrophobicContact CE2-CG 4.04Å; F35-K67 HydrophobicContact CZ-CG 3.89Å; P42-K67 WeakPolarHBondContact O-CE 3.38Å; P42-K67 PolarHBondContact O-NZ 3.4Å; T63-K67 HydrophobicContact CG2-CD 3.94Å; T63-K67 WeakPolarHBondContact O-CB 3.42Å; T63-K67 WeakPolarHBondContact O-CG 3.38Å; T63-K67 PolarHBondContact O-N 3.07Å; K65-K67 VanDerWaalsContact C-N 3.35Å; K65-K67 PolarHBondContact O-N 2.95Å; K67-Q71 PolarHBondContact O-N 2.9Å
68R98.1Very high97.3Very high159 Ų15956.7 Ų56.760%0.626%0.262SS*.Hα-helixtrans-71-46.8173.2-77.7-178.4-67.3160-0.5111.5Q64 K65 Y66 A70 Q71 T72Q64-R68 WeakPolarHBondContact O-CB 3.49Å; Q64-R68 VanDerWaalsContact O-CG 3.31Å; Q64-R68 WeakPolarHBondContact O-CG 3.42Å; Q64-R68 PolarHBondContact O-N 2.93Å; Q64-R68 PolarHBondContact O-NE 3.49Å; K65-R68 PolarHBondContact O-N 2.86Å; K65-R68 VanDerWaalsContact O-N 3.1Å; Y66-R68 VanDerWaalsContact C-N 3.34Å; Y66-R68 PolarHBondContact O-N 2.9Å; R68-A70 VanDerWaalsContact C-N 3.32Å; R68-A70 PolarHBondContact O-N 3.31Å; R68-Q71 PolarHBondContact O-N 2.94Å; R68-Q71 VanDerWaalsContact O-N 3.08Å; R68-T72 PolarHBondContact O-N 3.31Å; R68-T72 PolarHBondContact O-OG1 2.92Å
69Q97.9Very high97.2Very high22 Ų2259.7 Ų59.710%0.10328%0.279CS..Hα-helixtrans-58.1-43.6176.9-174.275.75100111.6Y8 F21 K65 Y66 Q71 T72 D73Y8-Q69 HydrophobicContact CD2-CG 3.54Å; Y8-Q69 HydrophobicContact CE2-CB 4.27Å; Y8-Q69 HydrophobicContact CE2-CG 3.65Å; Y8-Q69 HydrophobicContact CG-CG 4.49Å; F21-Q69 HydrophobicContact CE2-CB 4.18Å; F21-Q69 HydrophobicContact CE2-CG 3.63Å; F21-Q69 HydrophobicContact CZ-CB 3.96Å; F21-Q69 HydrophobicContact CZ-CG 3.77Å; K65-Q69 PolarHBondContact O-N 3.49Å; Y66-Q69 PolarHBondContact O-N 3.41Å; Q69-Q71 PolarHBondContact O-N 3.35Å; Q69-T72 CarbonylContact O-C 3.49Å; Q69-T72 WeakPolarHBondContact O-CA 3.49Å; Q69-T72 WeakPolarHBondContact O-CB 3.41Å; Q69-T72 PolarHBondContact O-N 2.93Å; Q69-D73 WeakPolarHBondContact CG-OD2 3.42Å; Q69-D73 PolarHBondContact NE2-OD1 3.4Å; Q69-D73 PolarHBondContact NE2-OD2 2.95Å; Q69-D73 PolarHBondContact O-N 3.48Å
70A98Very high97.1Very high17 Ų1758.3 Ų58.314%0.1427%0.274CS..Hα-helixtrans-57.4-34.8176.500000113.2F21 Y66 R68 R74F21-A70 HydrophobicContact CB-CB 3.77Å; F21-A70 HydrophobicContact CD1-CB 3.84Å; F21-A70 HydrophobicContact CD2-CB 4.09Å; F21-A70 HydrophobicContact CE1-CB 4.48Å; F21-A70 HydrophobicContact CG-CB 3.62Å; Y66-A70 WeakPolarHBondContact O-CB 3.46Å; Y66-A70 PolarHBondContact O-N 3.45Å; R68-A70 VanDerWaalsContact C-N 3.32Å; R68-A70 PolarHBondContact O-N 3.31Å; A70-R74 VanDerWaalsContact O-CB 3.23Å; A70-R74 WeakPolarHBondContact O-CB 3.36Å; A70-R74 PolarHBondContact O-N 2.93Å; A70-R74 VanDerWaalsContact O-N 3.14Å
71Q97.5Very high96.9Very high101 Ų10156.3 Ų56.347%0.47226%0.259SS..Hα-helixtrans-76.6-36173.2-63.3-57-43.700112.5K67 R68 Q69 R74 V75K67-Q71 PolarHBondContact O-N 2.9Å; R68-Q71 PolarHBondContact O-N 2.94Å; R68-Q71 VanDerWaalsContact O-N 3.08Å; Q69-Q71 PolarHBondContact O-N 3.35Å; Q71-R74 VanDerWaalsContact OE1-CD 3.27Å; Q71-V75 WeakPolarHBondContact O-CG2 3.33Å; Q71-V75 PolarHBondContact O-N 3.32Å
72T97.3Very high96.8Very high75 Ų7553.5 Ų53.546%0.4626%0.261SS..Hα-helixtrans-58.7-51.5171.1-62.40000110.7R68 Q69 R74 V75 S76R68-T72 PolarHBondContact O-N 3.31Å; R68-T72 PolarHBondContact O-OG1 2.92Å; Q69-T72 CarbonylContact O-C 3.49Å; Q69-T72 WeakPolarHBondContact O-CA 3.49Å; Q69-T72 WeakPolarHBondContact O-CB 3.41Å; Q69-T72 PolarHBondContact O-N 2.93Å; T72-R74 VanDerWaalsContact C-N 3.34Å; T72-R74 PolarHBondContact O-N 3.35Å; T72-V75 CarbonylContact O-C 3.57Å; T72-V75 WeakPolarHBondContact O-CA 3.38Å; T72-V75 WeakPolarHBondContact O-CB 3.32Å; T72-V75 PolarHBondContact O-N 2.91Å; T72-S76 PolarHBondContact O-N 3.5Å; T72-S76 PolarHBondContact O-OG 3.43Å
73D97.3Very high96.8Very high2 Ų256.2 Ų56.21%0.01127%0.272CS..Hα-helixtrans-69.1-33.1-176-63.3-18000112A10 F21 Q69 V75 S76 L77A10-D73 HydrophobicContact CB-CB 3.58Å; F21-D73 VanDerWaalsContact CE2-OD2 3.32Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.46Å; Q69-D73 WeakPolarHBondContact CG-OD2 3.42Å; Q69-D73 PolarHBondContact NE2-OD1 3.4Å; Q69-D73 PolarHBondContact NE2-OD2 2.95Å; Q69-D73 PolarHBondContact O-N 3.48Å; D73-V75 VanDerWaalsContact C-N 3.27Å; D73-V75 PolarHBondContact O-N 3.41Å; D73-S76 PolarHBondContact O-N 2.9Å; D73-L77 WeakPolarHBondContact O-CB 3.36Å; D73-L77 VanDerWaalsContact O-CG 3.3Å; D73-L77 WeakPolarHBondContact O-CG 3.46Å; D73-L77 PolarHBondContact O-N 3Å
74R96.3Very high96.6Very high67 Ų6759 Ų5925%0.25328%0.282SS..Hα-helixtrans-58.3-36.3168.3176.8-168.8-176.5-143-0112.8E18 P19 A70 Q71 T72 R78E18-R74 VanDerWaalsContact CD-NH2 3.33Å; E18-R74 IonicContact OE1-CZ 3.39Å; E18-R74 IonicContact OE1-NE 3.5Å; E18-R74 PolarHBondContact OE1-NE 3.46Å; E18-R74 IonicContact OE1-NH2 2.76Å; E18-R74 PolarHBondContact OE1-NH2 2.93Å; E18-R74 IonicContact OE2-CZ 3.17Å; E18-R74 IonicContact OE2-NE 2.68Å; E18-R74 PolarHBondContact OE2-NE 3.36Å; E18-R74 IonicContact OE2-NH2 2.77Å; P19-R74 HydrophobicContact CG-CB 4.32Å; P19-R74 HydrophobicContact CG-CG 4.26Å; A70-R74 VanDerWaalsContact O-CB 3.23Å; A70-R74 WeakPolarHBondContact O-CB 3.36Å; A70-R74 PolarHBondContact O-N 2.93Å; A70-R74 VanDerWaalsContact O-N 3.14Å; Q71-R74 VanDerWaalsContact OE1-CD 3.27Å; T72-R74 VanDerWaalsContact C-N 3.34Å; T72-R74 PolarHBondContact O-N 3.35Å; R74-R78 WeakPolarHBondContact O-CG 3.44Å
75V96.3Very high96.5Very high74 Ų7461.3 Ų61.345%0.44830%0.297SS..Hα-helixtrans-77.7-41.9174172.30000110.8Q71 T72 D73 L77 R78 N79Q71-V75 WeakPolarHBondContact O-CG2 3.33Å; Q71-V75 PolarHBondContact O-N 3.32Å; T72-V75 CarbonylContact O-C 3.57Å; T72-V75 WeakPolarHBondContact O-CA 3.38Å; T72-V75 WeakPolarHBondContact O-CB 3.32Å; T72-V75 PolarHBondContact O-N 2.91Å; D73-V75 VanDerWaalsContact C-N 3.27Å; D73-V75 PolarHBondContact O-N 3.41Å; V75-L77 PolarHBondContact O-N 2.94Å; V75-R78 WeakPolarHBondContact O-CB 3.47Å; V75-R78 PolarHBondContact O-N 3.5Å; V75-N79 PolarHBondContact O-N 3.19Å; V75-N79 PolarHBondContact O-ND2 3.12Å
76S96.7Very high96.2Very high35 Ų3560.4 Ų60.425%0.24529%0.294CS..Hα-helixtrans-58.5-44.9176-60.50000112.1T72 D73 R78 N79 L80T72-S76 PolarHBondContact O-N 3.5Å; T72-S76 PolarHBondContact O-OG 3.43Å; D73-S76 PolarHBondContact O-N 2.9Å; S76-R78 VanDerWaalsContact C-N 3.27Å; S76-R78 PolarHBondContact O-N 2.95Å; S76-N79 WeakPolarHBondContact O-CB 3.35Å; S76-N79 PolarHBondContact O-N 3.34Å; S76-L80 WeakPolarHBondContact O-CG 3.22Å; S76-L80 PolarHBondContact O-N 3.3Å
77L96.4Very high95.9Very high5 Ų564.2 Ų64.23%0.02632%0.321CS..Hα-helixtrans-55.6-41.2176-78163.3000111.9A10 P19 D73 V75 R81 Q92 I94 Y117A10-L77 HydrophobicContact CB-CD1 4.17Å; P19-L77 HydrophobicContact CB-CD1 3.66Å; P19-L77 HydrophobicContact CG-CD1 3.67Å; D73-L77 WeakPolarHBondContact O-CB 3.36Å; D73-L77 VanDerWaalsContact O-CG 3.3Å; D73-L77 WeakPolarHBondContact O-CG 3.46Å; D73-L77 PolarHBondContact O-N 3Å; V75-L77 PolarHBondContact O-N 2.94Å; L77-R81 WeakPolarHBondContact O-CB 3.4Å; L77-R81 PolarHBondContact O-N 3.36Å; L77-R81 VanDerWaalsContact O-N 3.12Å; L77-Q92 HydrophobicContact CD2-CB 3.88Å; L77-I94 HydrophobicContact CB-CD1 4.47Å; L77-I94 HydrophobicContact CD2-CD1 4.01Å; L77-I94 HydrophobicContact CD2-CG1 3.77Å; L77-I94 HydrophobicContact CG-CD1 3.78Å; L77-I94 HydrophobicContact CG-CG1 4.08Å; L77-Y117 HydrophobicContact CD2-CE2 4.43Å
78R93.9Very high95.3Very high128 Ų12866.6 Ų66.648%0.48333%0.333SS..Hα-helixtrans-68-39.7176.3-64.4172.1-174.7179.61.9111.9E18 R74 V75 S76 G82E18-R78 IonicContact OE2-NH2 3.17Å; R74-R78 WeakPolarHBondContact O-CG 3.44Å; V75-R78 WeakPolarHBondContact O-CB 3.47Å; V75-R78 PolarHBondContact O-N 3.5Å; S76-R78 VanDerWaalsContact C-N 3.27Å; S76-R78 PolarHBondContact O-N 2.95Å; R78-G82 PolarHBondContact O-N 3.02Å
79N95.1Very high94.8Very high69 Ų6962.9 Ų62.937%0.36934%0.336SS..Hα-helixtrans-67.7-49.3178.4-70.3-26.7000112.1V75 S76 G82 Y83V75-N79 PolarHBondContact O-N 3.19Å; V75-N79 PolarHBondContact O-ND2 3.12Å; S76-N79 WeakPolarHBondContact O-CB 3.35Å; S76-N79 PolarHBondContact O-N 3.34Å; N79-G82 WeakPolarHBondContact O-CA 3.29Å; N79-G82 PolarHBondContact O-N 2.94Å; N79-Y83 HydrophobicContact CB-CE2 4.44Å; N79-Y83 WeakPolarHBondContact O-CD1 3.42Å; N79-Y83 PolarHBondContact O-N 2.92Å
80L96Very high94.3Very high9 Ų967.8 Ų67.85%0.04735%0.354CS..Hα-helixtrans-63.7-43-179.6-63.6-179.3000111.4S76 G82 Y83 Y84 I94 Y117 Y122S76-L80 WeakPolarHBondContact O-CG 3.22Å; S76-L80 PolarHBondContact O-N 3.3Å; L80-G82 PolarHBondContact O-N 2.86Å; L80-Y83 HydrophobicContact CD2-CD2 4.18Å; L80-Y83 PolarHBondContact O-N 3.15Å; L80-Y84 HydrophobicContact CB-CD2 4.38Å; L80-Y84 HydrophobicContact CD2-CE2 4.49Å; L80-Y84 VanDerWaalsContact O-CD2 3.27Å; L80-Y84 WeakPolarHBondContact O-CD2 3.45Å; L80-Y84 PolarHBondContact O-N 3.23Å; L80-I94 HydrophobicContact CD1-CD1 3.61Å; L80-I94 HydrophobicContact CD1-CG1 3.77Å; L80-Y117 HydrophobicContact CB-CD2 4.14Å; L80-Y117 HydrophobicContact CB-CE1 4.12Å; L80-Y117 HydrophobicContact CB-CE2 3.68Å; L80-Y117 HydrophobicContact CD1-CD2 3.37Å; L80-Y117 HydrophobicContact CD1-CE2 3.73Å; L80-Y117 HydrophobicContact CD1-CG 3.79Å; L80-Y117 HydrophobicContact CG-CD2 4.39Å; L80-Y117 HydrophobicContact CG-CE2 4.36Å; L80-Y122 HydrophobicContact CD2-CD2 4.47Å; L80-Y122 HydrophobicContact CD2-CE1 3.74Å; L80-Y122 HydrophobicContact CD2-CE2 3.68Å; L80-Y122 VanDerWaalsContact CD2-OH 3.28Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.45Å
81R94.2Very high94.1Very high63 Ų6370 Ų7024%0.23837%0.368CS..Hα-helixtrans-51.9-38.9170.7-179177.772.5154.119.6112.2L77 N85 Q86 E88 Q92 Y117L77-R81 WeakPolarHBondContact O-CB 3.4Å; L77-R81 PolarHBondContact O-N 3.36Å; L77-R81 VanDerWaalsContact O-N 3.12Å; R81-N85 PolarHBondContact O-N 3.35Å; R81-Q86 HydrophobicContact CG-CB 4.08Å; R81-Q86 WeakPolarHBondContact CG-O 3.34Å; R81-Q86 PolarHBondContact O-N 2.87Å; R81-E88 IonicContact CZ-OE1 2.7Å; R81-E88 IonicContact NH1-OE1 2.67Å; R81-E88 PolarHBondContact NH1-OE1 3Å; R81-E88 IonicContact NH2-OE1 2.82Å; R81-E88 PolarHBondContact NH2-OE1 3.22Å; R81-Q92 VanDerWaalsContact CG-NE2 3.32Å; R81-Y117 PolarHBondContact N-OH 2.84Å
82G94.3Very high94Very high41 Ų4165.4 Ų65.442%0.42335%0.347SS..Hα-helixtrans-67.9-49.7172.500000113.4R78 N79 L80 Y84 N85R78-G82 PolarHBondContact O-N 3.02Å; N79-G82 WeakPolarHBondContact O-CA 3.29Å; N79-G82 PolarHBondContact O-N 2.94Å; L80-G82 PolarHBondContact O-N 2.86Å; G82-Y84 VanDerWaalsContact C-N 3.27Å; G82-Y84 PolarHBondContact O-N 3.09Å; G82-N85 PolarHBondContact O-N 3.32Å
83Y96.2Very high94Very high60 Ų6064.7 Ų64.724%0.23534%0.34CS..Hα-helixtrans-63.2-33.4-177.5-57.5-13000112.6N79 L80 I141 K145N79-Y83 HydrophobicContact CB-CE2 4.44Å; N79-Y83 WeakPolarHBondContact O-CD1 3.42Å; N79-Y83 PolarHBondContact O-N 2.92Å; L80-Y83 HydrophobicContact CD2-CD2 4.18Å; L80-Y83 PolarHBondContact O-N 3.15Å; Y83-I141 HydrophobicContact CD1-CD1 4.23Å; Y83-I141 HydrophobicContact CD2-CB 4.38Å; Y83-I141 HydrophobicContact CD2-CD1 4.28Å; Y83-I141 HydrophobicContact CD2-CG2 4.45Å; Y83-I141 HydrophobicContact CE1-CG2 4.36Å; Y83-I141 HydrophobicContact CE2-CB 4.21Å; Y83-I141 HydrophobicContact CE2-CG2 3.92Å; Y83-I141 HydrophobicContact CG-CD1 4.05Å; Y83-K145 PolarHBondContact OH-NZ 2.88Å
84Y95.9Very high94.1Very high67 Ų6764.9 Ų64.926%0.26334%0.341SS..THydrogen-bonded Turntrans-92.36.7175.5-66.8-71.6000114.2L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CB-CD2 4.38Å; L80-Y84 HydrophobicContact CD2-CE2 4.49Å; L80-Y84 VanDerWaalsContact O-CD2 3.27Å; L80-Y84 WeakPolarHBondContact O-CD2 3.45Å; L80-Y84 PolarHBondContact O-N 3.23Å; G82-Y84 VanDerWaalsContact C-N 3.27Å; G82-Y84 PolarHBondContact O-N 3.09Å; Y84-Q86 PolarHBondContact O-N 2.92Å; Y84-Y117 AromaticContact CD2-CD1 3.65Å; Y84-Y117 HydrophobicContact CD2-CD1 3.65Å; Y84-Y117 AromaticContact CD2-CE1 3.33Å; Y84-Y117 HydrophobicContact CD2-CE1 3.33Å; 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 3.65Å; Y84-Y117 HydrophobicContact CE2-CE1 3.65Å; Y84-Y117 HydrophobicContact CE2-CG 4.37Å; Y84-Y117 HydrophobicContact CG-CE1 4.18Å; Y84-Y122 HydrophobicContact CE2-CD2 4.4Å; Y84-Y122 HydrophobicContact CE2-CE2 4.15Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.3Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.5Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.39Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.5Å; Y84-D136 VanDerWaalsContact CZ-OD2 3.31Å; Y84-D136 VanDerWaalsContact OH-CG 3.27Å; Y84-D136 PolarHBondContact OH-OD1 3.34Å; Y84-D136 PolarHBondContact OH-OD2 2.94Å; Y84-A138 HydrophobicContact CD1-CB 4.24Å; Y84-A138 HydrophobicContact CD2-CB 4.49Å; Y84-A138 HydrophobicContact CE1-CB 3.71Å; Y84-A138 HydrophobicContact CE2-CB 4Å
85N94.3Very high94.2Very high152 Ų15265.5 Ų65.581%0.81335%0.346SS*.THydrogen-bonded Turntrans49.538.6-179.2-60.7-76.9000114R81 G82R81-N85 PolarHBondContact O-N 3.35Å; G82-N85 PolarHBondContact O-N 3.32Å
86Q92.2Very high94.3Very high41 Ų4163.4 Ų63.419%0.19233%0.33CS..  trans-86.3146.4-173.9-67.8-176.7-1.600113R81 Y84 Y117 D118R81-Q86 HydrophobicContact CG-CB 4.08Å; R81-Q86 WeakPolarHBondContact CG-O 3.34Å; R81-Q86 PolarHBondContact O-N 2.87Å; Y84-Q86 PolarHBondContact O-N 2.92Å; Q86-Y117 PolarHBondContact OE1-OH 3.4Å; Q86-D118 PolarHBondContact NE2-OD2 3.28Å
87S91.5Very high94.4Very high80 Ų8062.8 Ų62.856%0.55932%0.324SS*.  trans-58.7144174.5176.50000113A89 R90S87-A89 PolarHBondContact O-N 3.41Å; S87-A89 PolarHBondContact OG-N 3.32Å; S87-R90 PolarHBondContact O-N 3.45Å
88E85.1Confident94.5Very high131 Ų13163.4 Ų63.461%0.61233%0.326SS*.THydrogen-bonded Turntrans-63.7-22.7175-60.5-145.810100114P14 R81 R90P14-E88 WeakPolarHBondContact CB-O 3.31Å; P14-E88 VanDerWaalsContact CG-O 3.26Å; P14-E88 WeakPolarHBondContact CG-O 3.25Å; R81-E88 IonicContact CZ-OE1 2.7Å; R81-E88 IonicContact NH1-OE1 2.67Å; R81-E88 PolarHBondContact NH1-OE1 3Å; R81-E88 IonicContact NH2-OE1 2.82Å; R81-E88 PolarHBondContact NH2-OE1 3.22Å; E88-R90 VanDerWaalsContact C-N 3.31Å
89A87.4Confident94.7Very high81 Ų8157.3 Ų57.367%0.66930%0.303SS*.THydrogen-bonded Turntrans-79.7-10.3-179.500000113.9S87S87-A89 PolarHBondContact O-N 3.41Å; S87-A89 PolarHBondContact OG-N 3.32Å
90R89.3Confident94.9Very high125 Ų12554 Ų5447%0.47229%0.286SS..SBendtrans-82123179.2177.2175.4171.2128.7-3.7110.2S87 E88 Q92 D118S87-R90 PolarHBondContact O-N 3.45Å; E88-R90 VanDerWaalsContact C-N 3.31Å; R90-Q92 HydrophobicContact CG-CG 4.28Å; R90-Q92 PolarHBondContact O-OE1 3.03Å; R90-D118 IonicContact CZ-OD2 3.41Å; R90-D118 IonicContact NE-OD2 3.83Å; R90-D118 PolarHBondContact NE-OD2 3.08Å; R90-D118 VanDerWaalsContact NE-OD2 3.14Å; R90-D118 IonicContact NH2-OD2 2.71Å; R90-D118 PolarHBondContact NH2-OD2 2.74Å
91S93.6Very high95Very high64 Ų6455 Ų5545%0.44829%0.291SS..  trans-68.3137.6163.4-179.40000109.4S12S12-S91 WeakPolarHBondContact O-CB 3.21Å; S12-S91 PolarHBondContact O-OG 3.02Å
92Q94.4Very high95.2Very high5 Ų552.1 Ų52.12%0.02328%0.28CS..  trans-131153.3-174.1-66.6130.6-21.300110.3V11 S12 L77 R81 R90 Y117 D118V11-Q92 CarbonylContact C-O 3.53Å; V11-Q92 WeakPolarHBondContact CA-O 3.31Å; S12-Q92 PolarHBondContact N-O 2.68Å; S12-Q92 PolarHBondContact OG-N 2.98Å; S12-Q92 PolarHBondContact OG-OE1 3.34Å; S12-Q92 VanDerWaalsContact OG-OE1 3.04Å; L77-Q92 HydrophobicContact CD2-CB 3.88Å; R81-Q92 VanDerWaalsContact CG-NE2 3.32Å; R90-Q92 HydrophobicContact CG-CG 4.28Å; R90-Q92 PolarHBondContact O-OE1 3.03Å; Q92-Y117 HydrophobicContact CB-CE2 3.99Å; Q92-Y117 HydrophobicContact CG-CE2 4.4Å; Q92-Y117 WeakPolarHBondContact CG-OH 3.16Å; Q92-D118 WeakPolarHBondContact CA-OD1 3.25Å
93I97.7Very high95.3Very high60 Ų6050.3 Ų50.331%0.30826%0.262SS..EExtended strand (participates in β ladder)trans-125.1127.2-179.4-50-176.8000109.4T9 A10 V11 Q95 Y117 D118T9-I93 HydrophobicContact CG2-CG2 3.92Å; A10-I93 WeakPolarHBondContact O-CA 3.13Å; V11-I93 HydrophobicContact CG1-CG1 4.4Å; V11-I93 HydrophobicContact CG2-CG1 4.28Å; V11-I93 HydrophobicContact CG2-CG2 4.32Å; I93-Q95 HydrophobicContact CG2-CG 3.91Å; I93-Y117 CarbonylContact O-C 3.53Å; I93-Y117 WeakPolarHBondContact O-CA 3.47Å; I93-Y117 WeakPolarHBondContact O-CD2 3.11Å; I93-D118 PolarHBondContact N-OD1 3.5Å; I93-D118 PolarHBondContact O-N 2.92Å
94I98.1Very high95.2Very high5 Ų553.6 Ų53.63%0.02629%0.29CS..EExtended strand (participates in β ladder)trans-101.6136.5158.2-66175.3000107.8T9 A10 L77 L80 Y115 A116 Y117T9-I94 WeakPolarHBondContact CA-O 3.38Å; A10-I94 HydrophobicContact CB-CB 4.45Å; A10-I94 PolarHBondContact N-O 2.97Å; A10-I94 PolarHBondContact O-N 2.88Å; L77-I94 HydrophobicContact CB-CD1 4.47Å; L77-I94 HydrophobicContact CD2-CD1 4.01Å; L77-I94 HydrophobicContact CD2-CG1 3.77Å; L77-I94 HydrophobicContact CG-CD1 3.78Å; L77-I94 HydrophobicContact CG-CG1 4.08Å; L80-I94 HydrophobicContact CD1-CD1 3.61Å; L80-I94 HydrophobicContact CD1-CG1 3.77Å; I94-Y115 HydrophobicContact CG2-CD1 4.08Å; I94-A116 WeakPolarHBondContact CA-O 3.44Å; I94-Y117 HydrophobicContact CG1-CD2 3.89Å; I94-Y117 HydrophobicContact CG1-CE2 4.37Å
95Q98.7Very high95.1Very high80 Ų8054.7 Ų54.737%0.37430%0.301SS..EExtended strand (participates in β ladder)trans-122.3146.3167.5-64.5167.6-97.700109.2Y8 T9 I93 Y115 A116Y8-Q95 CarbonylContact O-C 3.57Å; Y8-Q95 VanDerWaalsContact O-CA 3.27Å; Y8-Q95 WeakPolarHBondContact O-CA 3.38Å; T9-Q95 HydrophobicContact CG2-CG 4.21Å; I93-Q95 HydrophobicContact CG2-CG 3.91Å; Q95-Y115 CarbonylContact O-C 3.59Å; Q95-Y115 VanDerWaalsContact O-CA 3.26Å; Q95-Y115 WeakPolarHBondContact O-CA 3.31Å; Q95-A116 HydrophobicContact CB-CB 4.36Å; Q95-A116 PolarHBondContact N-O 3.47Å; Q95-A116 PolarHBondContact O-N 2.75Å
96R98.6Very high95.1Very high30 Ų3048.1 Ų48.111%0.11327%0.269CS..EExtended strand (participates in β ladder)trans-131.8132.8171.5-175.1-168.3-175.1172.44.7109.3F7 Y8 Y98 D113 Q114 Y115F7-R96 WeakPolarHBondContact CA-O 3.4Å; Y8-R96 PolarHBondContact N-O 2.84Å; Y8-R96 PolarHBondContact O-N 3.31Å; R96-Y98 HydrophobicContact CG-CD1 4.28Å; R96-D113 IonicContact CZ-OD1 2.74Å; R96-D113 IonicContact NE-OD1 3.41Å; R96-D113 PolarHBondContact NE-OD1 2.72Å; R96-D113 IonicContact NH2-OD1 3.79Å; R96-D113 PolarHBondContact NH2-OD1 2.94Å; R96-D113 IonicContact NH2-OD2 3.09Å; R96-D113 PolarHBondContact NH2-OD2 3.45Å; R96-Q114 CarbonylContact C-O 3.54Å; R96-Q114 WeakPolarHBondContact CA-O 3.3Å; R96-Y115 HydrophobicContact CB-CD1 3.89Å; R96-Y115 HydrophobicContact CB-CE1 3.83Å; R96-Y115 HydrophobicContact CB-CG 4.38Å; R96-Y115 VanDerWaalsContact CD-CZ 3.43Å; R96-Y115 WeakPolarHBondContact CD-OH 3.2Å; R96-Y115 HydrophobicContact CG-CD1 4.06Å; R96-Y115 HydrophobicContact CG-CD2 4.14Å; R96-Y115 HydrophobicContact CG-CE1 3.77Å; R96-Y115 HydrophobicContact CG-CE2 3.83Å; R96-Y115 HydrophobicContact CG-CG 4.26Å; R96-Y115 PolarHBondContact NE-OH 2.85Å; R96-Y115 PolarHBondContact NH1-OH 3.33Å
97M98.7Very high95.3Very high23 Ų2354.1 Ų54.111%0.11329%0.29CS..EExtended strand (participates in β ladder)trans-117.8127.9164.1-168.2-74.7-63.700108.3R5 Y6 F7 Y112 Q114R5-M97 HydrophobicContact CB-SD 4.38Å; R5-M97 HydrophobicContact CG-SD 4.5Å; Y6-M97 WeakPolarHBondContact O-CA 3.33Å; F7-M97 HydrophobicContact CD1-CB 4.06Å; F7-M97 HydrophobicContact CD1-CG 3.55Å; F7-M97 HydrophobicContact CE1-CB 4.24Å; F7-M97 HydrophobicContact CE1-CG 3.33Å; F7-M97 HydrophobicContact CG-CG 4.38Å; F7-M97 HydrophobicContact CZ-CG 3.99Å; M97-Y112 HydrophobicContact CE-CD1 3.81Å; M97-Y112 HydrophobicContact CE-CG 3.92Å; M97-Q114 HydrophobicContact CB-CG 4.04Å; M97-Q114 HydrophobicContact CE-CG 4.07Å; M97-Q114 PolarHBondContact N-O 2.95Å; M97-Q114 PolarHBondContact O-N 2.89Å
98Y98.7Very high95.6Very high18 Ų1852.7 Ų52.77%0.07128%0.276CS..EExtended strand (participates in β ladder)trans-145.4153.8173.678.8-86.2000111Y6 Y8 R96 Y112 D113 Y158Y6-Y98 VanDerWaalsContact CB-CE1 3.42Å; Y6-Y98 HydrophobicContact CD2-CE1 4.44Å; Y6-Y98 AromaticContact CD2-CE2 3.79Å; Y6-Y98 HydrophobicContact CD2-CE2 3.79Å; Y6-Y98 AromaticContact CD2-CZ 3.71Å; Y6-Y98 HydrophobicContact CE2-CE2 4.49Å; Y6-Y98 HydrophobicContact CG-CE1 4.09Å; Y6-Y98 HydrophobicContact CG-CE2 4.26Å; Y6-Y98 AromaticContact CG-CZ 3.72Å; Y6-Y98 PolarHBondContact N-O 2.89Å; Y6-Y98 PolarHBondContact O-N 2.82Å; Y8-Y98 HydrophobicContact CD2-CE1 4.16Å; Y8-Y98 HydrophobicContact CE1-CE1 4.18Å; Y8-Y98 HydrophobicContact CE2-CD1 4.4Å; Y8-Y98 AromaticContact CE2-CE1 3.52Å; Y8-Y98 HydrophobicContact CE2-CE1 3.52Å; Y8-Y98 AromaticContact CZ-CE1 3.56Å; Y8-Y98 PolarHBondContact OH-OH 3.21Å; R96-Y98 HydrophobicContact CG-CD1 4.28Å; Y98-Y112 CarbonylContact C-O 3.6Å; Y98-Y112 WeakPolarHBondContact CA-O 3.44Å; Y98-Y112 VanDerWaalsContact CB-O 3.31Å; Y98-Y112 WeakPolarHBondContact CB-O 3.32Å; Y98-D113 WeakPolarHBondContact CB-OD1 3.4Å; Y98-Y158 AromaticContact CD2-CE1 3.87Å; Y98-Y158 HydrophobicContact CD2-CE1 3.87Å; Y98-Y158 AromaticContact CE2-CE1 3.63Å; Y98-Y158 HydrophobicContact CE2-CE1 3.63Å; Y98-Y158 AromaticContact CE2-CZ 3.98Å
99G98.6Very high96.2Very high0 Ų051.9 Ų51.90%028%0.275CS..EExtended strand (participates in β ladder)trans162.8-177.9-173.400000114.3M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.55Å; M4-G99 WeakPolarHBondContact O-CA 3.48Å; G99-G111 CarbonylContact O-C 3.53Å; G99-Y112 PolarHBondContact N-O 2.79Å; G99-Y112 PolarHBondContact O-N 2.88Å; G99-L159 WeakPolarHBondContact O-CD2 3.14Å
100C98.8Very high96.7Very high0 Ų052.4 Ų52.40%026%0.259CS..EExtended strand (participates in β ladder)trans-137.8146.1-176.853.60000111.4S3 M4 L108 R110 L159 C163S3-C100 CarbonylContact C-O 3.53Å; S3-C100 WeakPolarHBondContact CA-O 3.31Å; M4-C100 PolarHBondContact N-O 3.27Å; M4-C100 PolarHBondContact O-N 3.33Å; C100-L108 HydrophobicContact CB-CD1 3.58Å; C100-R110 WeakPolarHBondContact CA-O 3.44Å; C100-L159 HydrophobicContact CB-CD2 4.42Å; C100-C163 HydrophobicContact CB-CB 3.86Å; C100-C163 WeakPolarHBondContact CB-SG 3.47Å; C100-C163 PolarHBondContact N-SG 3.37Å; C100-C163 VanDerWaalsContact N-SG 3.38Å; C100-C163 WeakPolarHBondContact SG-CB 3.14Å; C100-C163 CovalentContact SG-SG 2.03Å; C100-C163 PolarHBondContact SG-SG 3.4Å
101D98.6Very high97.2Very high29 Ų2946.7 Ų46.716%0.15524%0.239CC..EExtended strand (participates in β ladder)trans-114.5140.8175.1-62.3-0.6000109.6H2 S3 R5 L109 R110 Y112H2-D101 CarbonylContact O-C 3.55Å; H2-D101 WeakPolarHBondContact O-CA 3.44Å; S3-D101 WeakPolarHBondContact CB-OD1 3.11Å; R5-D101 IonicContact CZ-OD1 3.14Å; R5-D101 VanDerWaalsContact CZ-OD1 3.25Å; R5-D101 IonicContact CZ-OD2 3.32Å; R5-D101 IonicContact NE-OD1 2.79Å; R5-D101 PolarHBondContact NE-OD1 3.48Å; R5-D101 IonicContact NH2-OD1 3.91Å; R5-D101 PolarHBondContact NH2-OD1 2.82Å; R5-D101 IonicContact NH2-OD2 2.69Å; R5-D101 PolarHBondContact NH2-OD2 2.89Å; D101-L109 PolarHBondContact O-N 2.84Å; D101-R110 PolarHBondContact N-O 2.76Å; D101-R110 PolarHBondContact O-N 2.77Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.33Å; D101-Y112 PolarHBondContact OD2-OH 2.71Å
102V98.4Very high97.4Very high2 Ų245.7 Ų45.71%0.01223%0.226CC..EExtended strand (participates in β ladder)trans-128.3144.9-176.8-60.10000113.2S1 H2 R107 V164 L167S1-V102 WeakPolarHBondContact CB-O 3.22Å; H2-V102 HydrophobicContact CB-CG2 4.03Å; H2-V102 PolarHBondContact N-O 2.78Å; H2-V102 VanDerWaalsContact N-O 3.07Å; H2-V102 PolarHBondContact O-N 2.81Å; V102-R107 CarbonylContact C-O 3.57Å; V102-R107 WeakPolarHBondContact CA-O 3.33Å; V102-R107 WeakPolarHBondContact CB-O 3.39Å; V102-V164 HydrophobicContact CG1-CB 4.44Å; V102-V164 HydrophobicContact CG1-CG1 4.1Å; V102-V164 HydrophobicContact CG1-CG2 3.93Å; V102-L167 HydrophobicContact CB-CD2 4.38Å; V102-L167 HydrophobicContact CG1-CD2 3.96Å; V102-L167 HydrophobicContact CG2-CD2 3.62Å; V102-L167 HydrophobicContact CG2-CG 4.21Å
103G96.7Very high97.6Very high4 Ų445.6 Ų45.64%0.04123%0.226CC..  trans-75.4177.2175.800000112.9D105 G106 R107G103-D105 PolarHBondContact O-N 3.13Å; G103-G106 WeakPolarHBondContact O-CA 3.3Å; G103-G106 PolarHBondContact O-N 2.8Å; G103-R107 PolarHBondContact N-O 3.07Å
104P94.3Very high97.6Very high128 Ų12846 Ų4683%0.83123%0.227SC*.THydrogen-bonded Turntrans-61.2-23174.1-23.835000114.1G106P104-G106 PolarHBondContact O-N 2.95Å
105D94.4Very high97.7Very high90 Ų9047.2 Ų47.248%0.48123%0.231SC..THydrogen-bonded Turntrans-81.42170.874.5-14.3000113.2G103 R107G103-D105 PolarHBondContact O-N 3.13Å; D105-R107 PolarHBondContact O-N 3.38Å; D105-R107 WeakPolarHBondContact OD1-CB 3.39Å; D105-R107 PolarHBondContact OD1-N 2.83Å; D105-R107 WeakPolarHBondContact OD2-CD 3.47Å; D105-R107 VanDerWaalsContact OD2-CG 3.3Å; D105-R107 WeakPolarHBondContact OD2-CG 3.39Å; D105-R107 IonicContact OD2-CZ 3.66Å; D105-R107 IonicContact OD2-NE 3.54Å; D105-R107 PolarHBondContact OD2-NE 2.73Å; D105-R107 IonicContact OD2-NH1 3.81Å; D105-R107 PolarHBondContact OD2-NH1 3.37Å
106G93.6Very high97.7Very high14 Ų1444.2 Ų44.214%0.14422%0.22CC..  trans69.88.7-178.200000114.8G103 P104 V164 R168G103-G106 WeakPolarHBondContact O-CA 3.3Å; G103-G106 PolarHBondContact O-N 2.8Å; P104-G106 PolarHBondContact O-N 2.95Å; G106-V164 WeakPolarHBondContact O-CG1 3.18Å; G106-R168 VanDerWaalsContact O-CZ 3.23Å; G106-R168 PolarHBondContact O-NE 3.3Å; G106-R168 PolarHBondContact O-NH2 2.66Å
107R96.6Very high97.7Very high167 Ų16743.3 Ų43.363%0.6322%0.217SC*.  trans-80.6152.7176-64.3-174.4-174.2136.5-12.1111.4V102 G103 D105 L109V102-R107 CarbonylContact C-O 3.57Å; V102-R107 WeakPolarHBondContact CA-O 3.33Å; V102-R107 WeakPolarHBondContact CB-O 3.39Å; G103-R107 PolarHBondContact N-O 3.07Å; D105-R107 PolarHBondContact O-N 3.38Å; D105-R107 WeakPolarHBondContact OD1-CB 3.39Å; D105-R107 PolarHBondContact OD1-N 2.83Å; D105-R107 WeakPolarHBondContact OD2-CD 3.47Å; D105-R107 VanDerWaalsContact OD2-CG 3.3Å; D105-R107 WeakPolarHBondContact OD2-CG 3.39Å; D105-R107 IonicContact OD2-CZ 3.66Å; D105-R107 IonicContact OD2-NE 3.54Å; D105-R107 PolarHBondContact OD2-NE 2.73Å; D105-R107 IonicContact OD2-NH1 3.81Å; D105-R107 PolarHBondContact OD2-NH1 3.37Å; R107-L109 PolarHBondContact O-N 2.98Å
108L98.1Very high97.6Very high50 Ų5044.3 Ų44.326%0.26222%0.222SC..EExtended strand (participates in β ladder)trans-57.9126.1173.9-172.572.9000110.1C100 R110 L129 E160 V164C100-L108 HydrophobicContact CB-CD1 3.58Å; L108-R110 VanDerWaalsContact CD1-O 3.31Å; L108-R110 WeakPolarHBondContact CD1-O 3.37Å; L108-L129 HydrophobicContact CD2-CD1 4.11Å; L108-E160 HydrophobicContact CD2-CG 3.82Å; L108-V164 HydrophobicContact CB-CG2 4.02Å; L108-V164 HydrophobicContact CD1-CG2 3.91Å
109L97.9Very high97.5Very high114 Ų11446.1 Ų46.160%0.59725%0.247SC*.EExtended strand (participates in β ladder)trans-94.7-43.3165.8-63.4177.1000110.6D101 R107D101-L109 PolarHBondContact O-N 2.84Å; R107-L109 PolarHBondContact O-N 2.98Å
110R97.8Very high97.5Very high92 Ų9253.7 Ų53.735%0.34728%0.28SS..EExtended strand (participates in β ladder)trans-154.9141.3-175.6-171.2164.1172.9134.77.6111.5C100 D101 L108 Y112 E127C100-R110 WeakPolarHBondContact CA-O 3.44Å; D101-R110 PolarHBondContact N-O 2.76Å; D101-R110 PolarHBondContact O-N 2.77Å; L108-R110 VanDerWaalsContact CD1-O 3.31Å; L108-R110 WeakPolarHBondContact CD1-O 3.37Å; R110-Y112 HydrophobicContact CB-CE2 4.06Å; R110-Y112 VanDerWaalsContact CD-OH 3.3Å; R110-Y112 WeakPolarHBondContact CD-OH 3.42Å; R110-Y112 HydrophobicContact CG-CD2 4.28Å; R110-Y112 HydrophobicContact CG-CE1 4.4Å; R110-Y112 HydrophobicContact CG-CE2 3.68Å; R110-Y112 PolarHBondContact NE-OH 2.89Å; R110-E127 IonicContact CZ-OE1 3.31Å; R110-E127 IonicContact CZ-OE2 3.32Å; R110-E127 IonicContact NH1-OE1 3.14Å; R110-E127 PolarHBondContact NH1-OE1 2.76Å; R110-E127 IonicContact NH1-OE2 2.98Å; R110-E127 PolarHBondContact NH1-OE2 3.4Å; R110-E127 VanDerWaalsContact NH1-OE2 3.14Å; R110-E127 VanDerWaalsContact NH2-CD 3.26Å; R110-E127 IonicContact NH2-OE1 3.85Å; R110-E127 PolarHBondContact NH2-OE1 3.13Å
111G98.4Very high97.4Very high5 Ų559.4 Ų59.45%0.05231%0.31CS..EExtended strand (participates in β ladder)trans-109.8155168.300000111G99G99-G111 CarbonylContact O-C 3.53Å
112Y98.5Very high97.5Very high44 Ų4458.5 Ų58.517%0.17330%0.304CS..EExtended strand (participates in β ladder)trans-137.1137.7-178.8-61-98.6000110.5R5 M97 Y98 G99 D101 R110R5-Y112 PolarHBondContact NH2-OH 2.96Å; M97-Y112 HydrophobicContact CE-CD1 3.81Å; M97-Y112 HydrophobicContact CE-CG 3.92Å; Y98-Y112 CarbonylContact C-O 3.6Å; Y98-Y112 WeakPolarHBondContact CA-O 3.44Å; Y98-Y112 VanDerWaalsContact CB-O 3.31Å; Y98-Y112 WeakPolarHBondContact CB-O 3.32Å; G99-Y112 PolarHBondContact N-O 2.79Å; G99-Y112 PolarHBondContact O-N 2.88Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.33Å; D101-Y112 PolarHBondContact OD2-OH 2.71Å; R110-Y112 HydrophobicContact CB-CE2 4.06Å; R110-Y112 VanDerWaalsContact CD-OH 3.3Å; R110-Y112 WeakPolarHBondContact CD-OH 3.42Å; R110-Y112 HydrophobicContact CG-CD2 4.28Å; R110-Y112 HydrophobicContact CG-CE1 4.4Å; R110-Y112 HydrophobicContact CG-CE2 3.68Å; R110-Y112 PolarHBondContact NE-OH 2.89Å
113D98.6Very high97.5Very high3 Ų358.6 Ų58.62%0.01631%0.305CS..EExtended strand (participates in β ladder)trans-149.2111.1158.3-17256.6000108.2R96 Y98 L125 L155R96-D113 IonicContact CZ-OD1 2.74Å; R96-D113 IonicContact NE-OD1 3.41Å; R96-D113 PolarHBondContact NE-OD1 2.72Å; R96-D113 IonicContact NH2-OD1 3.79Å; R96-D113 PolarHBondContact NH2-OD1 2.94Å; R96-D113 IonicContact NH2-OD2 3.09Å; R96-D113 PolarHBondContact NH2-OD2 3.45Å; Y98-D113 WeakPolarHBondContact CB-OD1 3.4Å; D113-L125 HydrophobicContact CB-CB 4.02Å; D113-L125 HydrophobicContact CB-CD2 4.16Å; D113-L125 WeakPolarHBondContact O-CB 3.14Å; D113-L125 PolarHBondContact O-N 3.22Å; D113-L155 HydrophobicContact CB-CD1 4.26Å; D113-L155 WeakPolarHBondContact OD2-CD1 3.5Å
114Q98.6Very high97.6Very high69 Ų6960 Ų6032%0.32232%0.316SS..EExtended strand (participates in β ladder)trans-139.6141.7-177.465-171.888.700111.6R96 M97 A124R96-Q114 CarbonylContact C-O 3.54Å; R96-Q114 WeakPolarHBondContact CA-O 3.3Å; M97-Q114 HydrophobicContact CB-CG 4.04Å; M97-Q114 HydrophobicContact CE-CG 4.07Å; M97-Q114 PolarHBondContact N-O 2.95Å; M97-Q114 PolarHBondContact O-N 2.89Å; Q114-A124 HydrophobicContact CB-CB 3.85Å
115Y98.7Very high97.8Very high29 Ų2954.5 Ų54.511%0.11428%0.28CS..EExtended strand (participates in β ladder)trans-120.3143.8179.5-71.5-105.5000110.9I94 Q95 R96 Y122 I123 W146I94-Y115 HydrophobicContact CG2-CD1 4.08Å; Q95-Y115 CarbonylContact O-C 3.59Å; Q95-Y115 VanDerWaalsContact O-CA 3.26Å; Q95-Y115 WeakPolarHBondContact O-CA 3.31Å; R96-Y115 HydrophobicContact CB-CD1 3.89Å; R96-Y115 HydrophobicContact CB-CE1 3.83Å; R96-Y115 HydrophobicContact CB-CG 4.38Å; R96-Y115 VanDerWaalsContact CD-CZ 3.43Å; R96-Y115 WeakPolarHBondContact CD-OH 3.2Å; R96-Y115 HydrophobicContact CG-CD1 4.06Å; R96-Y115 HydrophobicContact CG-CD2 4.14Å; R96-Y115 HydrophobicContact CG-CE1 3.77Å; R96-Y115 HydrophobicContact CG-CE2 3.83Å; R96-Y115 HydrophobicContact CG-CG 4.26Å; R96-Y115 PolarHBondContact NE-OH 2.85Å; R96-Y115 PolarHBondContact NH1-OH 3.33Å; Y115-Y122 WeakPolarHBondContact O-CB 3.4Å; Y115-Y122 PolarHBondContact O-N 3.3Å; Y115-I123 HydrophobicContact CD2-CG2 4.36Å; Y115-I123 PolarHBondContact N-O 3.24Å; Y115-I123 PolarHBondContact O-N 2.8Å; Y115-W146 AromaticContact CD2-CH2 3.81Å; Y115-W146 HydrophobicContact CD2-CH2 3.81Å; Y115-W146 HydrophobicContact CD2-CZ3 4.3Å; Y115-W146 AromaticContact CE2-CH2 3.51Å; Y115-W146 HydrophobicContact CE2-CH2 3.51Å; Y115-W146 HydrophobicContact CE2-CZ2 4.46Å; Y115-W146 HydrophobicContact CE2-CZ3 4.17Å
116A98.7Very high98Very high18 Ų1852.2 Ų52.215%0.14927%0.267CS..EExtended strand (participates in β ladder)trans-123.9150.7170.800000110.8I94 Q95 K120I94-A116 WeakPolarHBondContact CA-O 3.44Å; Q95-A116 HydrophobicContact CB-CB 4.36Å; Q95-A116 PolarHBondContact N-O 3.47Å; Q95-A116 PolarHBondContact O-N 2.75Å; A116-K120 CarbonylContact C-O 3.56Å; A116-K120 WeakPolarHBondContact CA-O 3.37Å; A116-K120 WeakPolarHBondContact CB-O 3.46Å
117Y98.3Very high98.2Very high11 Ų1158.1 Ų58.14%0.04329%0.291CS..EExtended strand (participates in β ladder)trans-129.1130177.1-175.6-117.9000110.5L77 L80 R81 Y84 Q86 Q92 I93 I94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.43Å; L80-Y117 HydrophobicContact CB-CD2 4.14Å; L80-Y117 HydrophobicContact CB-CE1 4.12Å; L80-Y117 HydrophobicContact CB-CE2 3.68Å; L80-Y117 HydrophobicContact CD1-CD2 3.37Å; L80-Y117 HydrophobicContact CD1-CE2 3.73Å; L80-Y117 HydrophobicContact CD1-CG 3.79Å; L80-Y117 HydrophobicContact CG-CD2 4.39Å; L80-Y117 HydrophobicContact CG-CE2 4.36Å; R81-Y117 PolarHBondContact N-OH 2.84Å; Y84-Y117 AromaticContact CD2-CD1 3.65Å; Y84-Y117 HydrophobicContact CD2-CD1 3.65Å; Y84-Y117 AromaticContact CD2-CE1 3.33Å; Y84-Y117 HydrophobicContact CD2-CE1 3.33Å; 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 3.65Å; Y84-Y117 HydrophobicContact CE2-CE1 3.65Å; Y84-Y117 HydrophobicContact CE2-CG 4.37Å; Y84-Y117 HydrophobicContact CG-CE1 4.18Å; Q86-Y117 PolarHBondContact OE1-OH 3.4Å; Q92-Y117 HydrophobicContact CB-CE2 3.99Å; Q92-Y117 HydrophobicContact CG-CE2 4.4Å; Q92-Y117 WeakPolarHBondContact CG-OH 3.16Å; I93-Y117 CarbonylContact O-C 3.53Å; I93-Y117 WeakPolarHBondContact O-CA 3.47Å; I93-Y117 WeakPolarHBondContact O-CD2 3.11Å; I94-Y117 HydrophobicContact CG1-CD2 3.89Å; I94-Y117 HydrophobicContact CG1-CE2 4.37Å; Y117-G119 PolarHBondContact O-N 3.14Å; Y117-G119 VanDerWaalsContact O-N 3.13Å; Y117-K120 PolarHBondContact N-O 2.85Å; Y117-K120 PolarHBondContact O-N 3.42Å
118D96.9Very high98.2Very high43 Ų4353.6 Ų53.623%0.2328%0.28CS..THydrogen-bonded Turntrans46.439.2-174-71.2-5.8000113.2Q86 R90 Q92 I93Q86-D118 PolarHBondContact NE2-OD2 3.28Å; R90-D118 IonicContact CZ-OD2 3.41Å; R90-D118 IonicContact NE-OD2 3.83Å; R90-D118 PolarHBondContact NE-OD2 3.08Å; R90-D118 VanDerWaalsContact NE-OD2 3.14Å; R90-D118 IonicContact NH2-OD2 2.71Å; R90-D118 PolarHBondContact NH2-OD2 2.74Å; Q92-D118 WeakPolarHBondContact CA-OD1 3.25Å; I93-D118 PolarHBondContact N-OD1 3.5Å; I93-D118 PolarHBondContact O-N 2.92Å
119G96.6Very high98.2Very high56 Ų5651.7 Ų51.758%0.57727%0.269SS*.THydrogen-bonded Turntrans78.713.6178.500000115.9Y117Y117-G119 PolarHBondContact O-N 3.14Å; Y117-G119 VanDerWaalsContact O-N 3.13Å
120K98.2Very high98.2Very high160 Ų16054 Ų5470%0.69627%0.27SS*.EExtended strand (participates in β ladder)trans-122.5148.1175.8-60-172.8178.7-170.60111.3A116 Y117 Y122A116-K120 CarbonylContact C-O 3.56Å; A116-K120 WeakPolarHBondContact CA-O 3.37Å; A116-K120 WeakPolarHBondContact CB-O 3.46Å; Y117-K120 PolarHBondContact N-O 2.85Å; Y117-K120 PolarHBondContact O-N 3.42Å; K120-Y122 PolarHBondContact O-N 2.97Å
121D98.6Very high98.2Very high119 Ų11951.7 Ų51.764%0.63627%0.268SS*.EExtended strand (participates in β ladder)trans-53.7138.3173.9-64.4-45.6000111.5A135D121-A135 HydrophobicContact CB-CB 4.37Å; D121-A135 WeakPolarHBondContact O-CB 3.34Å
122Y98.7Very high98.2Very high10 Ų1052 Ų524%0.03927%0.267CS..EExtended strand (participates in β ladder)trans-116.7-63.4179.5179.9-114.5000110.4L80 Y84 Y115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD2 4.47Å; L80-Y122 HydrophobicContact CD2-CE1 3.74Å; L80-Y122 HydrophobicContact CD2-CE2 3.68Å; L80-Y122 VanDerWaalsContact CD2-OH 3.28Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.45Å; Y84-Y122 HydrophobicContact CE2-CD2 4.4Å; Y84-Y122 HydrophobicContact CE2-CE2 4.15Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.3Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.5Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.39Å; Y115-Y122 WeakPolarHBondContact O-CB 3.4Å; Y115-Y122 PolarHBondContact O-N 3.3Å; K120-Y122 PolarHBondContact O-N 2.97Å; Y122-A135 WeakPolarHBondContact O-CB 3.48Å; Y122-A135 PolarHBondContact O-N 2.8Å; Y122-A138 PolarHBondContact OH-O 3.41Å; Y122-A139 HydrophobicContact CD2-CB 3.81Å; Y122-A139 HydrophobicContact CE2-CB 3.64Å; Y122-A139 HydrophobicContact CG-CB 4.38Å; Y122-A139 WeakPolarHBondContact O-CB 3.49Å; Y122-T142 HydrophobicContact CE1-CG2 4.28Å; Y122-T142 WeakPolarHBondContact OH-CB 3.46Å; Y122-T142 PolarHBondContact OH-OG1 2.76Å
123I98.8Very high98.3Very high4 Ų453.7 Ų53.72%0.02128%0.283CS..EExtended strand (participates in β ladder)trans-149.6141177.7-165.7172000110.5Y115 W132 T133 T142 Q143 W146Y115-I123 HydrophobicContact CD2-CG2 4.36Å; Y115-I123 PolarHBondContact N-O 3.24Å; Y115-I123 PolarHBondContact O-N 2.8Å; I123-W132 HydrophobicContact CD1-CB 4.22Å; I123-W132 HydrophobicContact CD1-CD2 4.32Å; I123-W132 HydrophobicContact CD1-CE3 4.12Å; I123-W132 HydrophobicContact CD1-CG 4.39Å; I123-W132 HydrophobicContact CG1-CB 4.36Å; I123-W132 HydrophobicContact CG1-CE3 3.96Å; I123-T133 WeakPolarHBondContact CA-O 3.32Å; I123-T142 HydrophobicContact CD1-CG2 4.36Å; I123-Q143 HydrophobicContact CD1-CB 3.83Å; I123-W146 HydrophobicContact CD1-CE3 3.97Å; I123-W146 HydrophobicContact CD1-CZ3 4.19Å; I123-W146 HydrophobicContact CG2-CE3 4.38Å; I123-W146 HydrophobicContact CG2-CH2 3.94Å; I123-W146 HydrophobicContact CG2-CZ3 3.56Å
124A98.8Very high98.3Very high33 Ų3354.6 Ų54.627%0.27329%0.291SS..EExtended strand (participates in β ladder)trans-133.2140.9178.200000111.8Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.85Å; A124-W132 WeakPolarHBondContact O-CA 3.42Å; A124-T133 PolarHBondContact N-O 2.95Å; A124-T133 PolarHBondContact O-N 2.81Å
125L98.8Very high98.3Very high14 Ų1454.3 Ų54.37%0.07330%0.3CS..EExtended strand (participates in β ladder)trans-72.3129.2169.2-17666.8000108.8D113 L129 W132 A152 L155 L159D113-L125 HydrophobicContact CB-CB 4.02Å; D113-L125 HydrophobicContact CB-CD2 4.16Å; D113-L125 WeakPolarHBondContact O-CB 3.14Å; D113-L125 PolarHBondContact O-N 3.22Å; L125-L129 HydrophobicContact CD2-CD2 3.78Å; L125-L129 HydrophobicContact CG-CD2 4.26Å; L125-W132 HydrophobicContact CB-CE3 4.05Å; L125-W132 HydrophobicContact CB-CH2 4.13Å; L125-W132 HydrophobicContact CB-CZ3 3.67Å; L125-W132 HydrophobicContact CD1-CD2 4.27Å; L125-W132 HydrophobicContact CD1-CE3 4.33Å; L125-W132 HydrophobicContact CD1-CH2 4.09Å; L125-W132 HydrophobicContact CD1-CZ2 4Å; L125-W132 HydrophobicContact CD1-CZ3 4.24Å; L125-A152 HydrophobicContact CD1-CB 3.88Å; L125-L155 HydrophobicContact CD2-CB 4.18Å; L125-L155 HydrophobicContact CD2-CD1 4.5Å; L125-L159 HydrophobicContact CD2-CD1 3.92Å
126N98.6Very high98.2Very high41 Ų4155.5 Ų55.522%0.21931%0.308CS..  trans-75.9164.8-178.8-66.1-23.3000111.7D128 L129 S131 W132 T133N126-D128 PolarHBondContact O-N 2.85Å; N126-D128 VanDerWaalsContact O-N 3.08Å; N126-L129 PolarHBondContact O-N 3.42Å; N126-S131 WeakPolarHBondContact CB-O 3.28Å; N126-S131 WeakPolarHBondContact CB-OG 3.46Å; N126-S131 PolarHBondContact N-O 3.11Å; N126-S131 PolarHBondContact ND2-OG 2.78Å; N126-W132 PolarHBondContact ND2-N 2.94Å; N126-T133 WeakPolarHBondContact OD1-CB 3.41Å; N126-T133 PolarHBondContact OD1-N 2.86Å; N126-T133 PolarHBondContact OD1-OG1 2.84Å
127E97.7Very high98.2Very high139 Ų13959.9 Ų59.965%0.6533%0.333SS*.THydrogen-bonded Turntrans-62.8-17.2-177.1-58.3-175.4-160.100113.9R110 L129R110-E127 IonicContact CZ-OE1 3.31Å; R110-E127 IonicContact CZ-OE2 3.32Å; R110-E127 IonicContact NH1-OE1 3.14Å; R110-E127 PolarHBondContact NH1-OE1 2.76Å; R110-E127 IonicContact NH1-OE2 2.98Å; R110-E127 PolarHBondContact NH1-OE2 3.4Å; R110-E127 VanDerWaalsContact NH1-OE2 3.14Å; R110-E127 VanDerWaalsContact NH2-CD 3.26Å; R110-E127 IonicContact NH2-OE1 3.85Å; R110-E127 PolarHBondContact NH2-OE1 3.13Å; E127-L129 PolarHBondContact O-N 2.87Å
128D97.6Very high98.2Very high72 Ų7259.6 Ų59.639%0.38533%0.333SS..THydrogen-bonded Turntrans-73.7-10.1172.670.1-2.5000113.9N126 R130 S131N126-D128 PolarHBondContact O-N 2.85Å; N126-D128 VanDerWaalsContact O-N 3.08Å; D128-R130 WeakPolarHBondContact O-CG 3.45Å; D128-R130 PolarHBondContact O-N 2.66Å; D128-R130 PolarHBondContact OD1-N 2.74Å; D128-S131 VanDerWaalsContact CG-OG 3.23Å; D128-S131 PolarHBondContact OD1-N 3.16Å; D128-S131 PolarHBondContact OD1-OG 2.84Å; D128-S131 WeakPolarHBondContact OD2-CB 3.37Å; D128-S131 PolarHBondContact OD2-N 2.88Å; D128-S131 PolarHBondContact OD2-OG 2.95Å
129L98.1Very high98.2Very high9 Ų957.5 Ų57.55%0.04732%0.322CS..SBendtrans52.532.6-172.4-53.6-178.9000113.3L108 L125 N126 E127 R156 L159 E160L108-L129 HydrophobicContact CD2-CD1 4.11Å; L125-L129 HydrophobicContact CD2-CD2 3.78Å; L125-L129 HydrophobicContact CG-CD2 4.26Å; N126-L129 PolarHBondContact O-N 3.42Å; E127-L129 PolarHBondContact O-N 2.87Å; L129-R156 HydrophobicContact CB-CB 3.97Å; L129-R156 HydrophobicContact CB-CG 3.72Å; L129-R156 HydrophobicContact CD1-CG 4.15Å; L129-R156 WeakPolarHBondContact O-CD 3.4Å; L129-L159 HydrophobicContact CD1-CB 4.41Å; L129-L159 HydrophobicContact CD2-CD1 4Å; L129-E160 HydrophobicContact CD1-CG 4.25Å
130R97.7Very high98.3Very high164 Ų16458.2 Ų58.262%0.61931%0.31SS*.SBendtrans-138.3-35.9-174.9-66.8163.3-168.1-1294.7113.3D128 A152D128-R130 WeakPolarHBondContact O-CG 3.45Å; D128-R130 PolarHBondContact O-N 2.66Å; D128-R130 PolarHBondContact OD1-N 2.74Å; R130-A152 WeakPolarHBondContact O-CB 3.37Å
131S98.1Very high98.3Very high42 Ų4253.5 Ų53.529%0.29429%0.292SS..  trans-110.8165.1-177.662.30000112.1N126 D128N126-S131 WeakPolarHBondContact CB-O 3.28Å; N126-S131 WeakPolarHBondContact CB-OG 3.46Å; N126-S131 PolarHBondContact N-O 3.11Å; N126-S131 PolarHBondContact ND2-OG 2.78Å; D128-S131 VanDerWaalsContact CG-OG 3.23Å; D128-S131 PolarHBondContact OD1-N 3.16Å; D128-S131 PolarHBondContact OD1-OG 2.84Å; D128-S131 WeakPolarHBondContact OD2-CB 3.37Å; D128-S131 PolarHBondContact OD2-N 2.88Å; D128-S131 PolarHBondContact OD2-OG 2.95Å
132W98.7Very high98.3Very high11 Ų1148.6 Ų48.64%0.04227%0.267CS..EExtended strand (participates in β ladder)trans-122.6142.7-175.4-63.797.7000111.3I123 A124 L125 N126 Q143 W146 E151 A152 L155I123-W132 HydrophobicContact CD1-CB 4.22Å; I123-W132 HydrophobicContact CD1-CD2 4.32Å; I123-W132 HydrophobicContact CD1-CE3 4.12Å; I123-W132 HydrophobicContact CD1-CG 4.39Å; I123-W132 HydrophobicContact CG1-CB 4.36Å; I123-W132 HydrophobicContact CG1-CE3 3.96Å; A124-W132 WeakPolarHBondContact O-CA 3.42Å; L125-W132 HydrophobicContact CB-CE3 4.05Å; L125-W132 HydrophobicContact CB-CH2 4.13Å; L125-W132 HydrophobicContact CB-CZ3 3.67Å; L125-W132 HydrophobicContact CD1-CD2 4.27Å; L125-W132 HydrophobicContact CD1-CE3 4.33Å; L125-W132 HydrophobicContact CD1-CH2 4.09Å; L125-W132 HydrophobicContact CD1-CZ2 4Å; L125-W132 HydrophobicContact CD1-CZ3 4.24Å; N126-W132 PolarHBondContact ND2-N 2.94Å; W132-Q143 HydrophobicContact CB-CG 4.08Å; W132-Q143 PolarHBondContact O-NE2 2.92Å; W132-W146 HydrophobicContact CD2-CE3 4.1Å; W132-W146 AromaticContact CE2-CE3 3.9Å; W132-W146 AromaticContact CE3-CE3 3.95Å; W132-W146 HydrophobicContact CE3-CE3 3.95Å; W132-W146 HydrophobicContact CE3-CZ3 4.12Å; W132-W146 HydrophobicContact CH2-CD2 4.46Å; W132-W146 AromaticContact CH2-CE3 3.4Å; W132-W146 HydrophobicContact CH2-CE3 3.4Å; W132-W146 AromaticContact CH2-CZ3 3.55Å; W132-W146 HydrophobicContact CH2-CZ3 3.55Å; W132-W146 HydrophobicContact CZ2-CB 4.38Å; W132-W146 HydrophobicContact CZ2-CD2 4.35Å; W132-W146 AromaticContact CZ2-CE3 3.57Å; W132-W146 HydrophobicContact CZ2-CE3 3.57Å; W132-W146 HydrophobicContact CZ2-CZ3 4.21Å; W132-W146 AromaticContact CZ3-CE3 3.61Å; W132-W146 HydrophobicContact CZ3-CE3 3.61Å; W132-W146 AromaticContact CZ3-CZ3 3.51Å; W132-W146 HydrophobicContact CZ3-CZ3 3.51Å; W132-E151 HydrophobicContact CZ2-CB 4.4Å; W132-A152 HydrophobicContact CZ2-CB 4.24Å; W132-L155 HydrophobicContact CH2-CD1 3.42Å; W132-L155 VanDerWaalsContact CH2-CD1 3.42Å; W132-L155 HydrophobicContact CZ2-CD1 3.81Å
133T98.7Very high98.3Very high81 Ų8150 Ų5050%0.49727%0.273SS..EExtended strand (participates in β ladder)trans-105.2116.2165-65.70000109I123 A124 N126I123-T133 WeakPolarHBondContact CA-O 3.32Å; A124-T133 PolarHBondContact N-O 2.95Å; A124-T133 PolarHBondContact O-N 2.81Å; N126-T133 WeakPolarHBondContact OD1-CB 3.41Å; N126-T133 PolarHBondContact OD1-N 2.86Å; N126-T133 PolarHBondContact OD1-OG1 2.84Å
134A98.7Very high98.3Very high22 Ų2256.8 Ų56.818%0.18230%0.299CS..EExtended strand (participates in β ladder)trans-97.9127.9174.900000110.4A139 Q140 Q143A134-A139 HydrophobicContact CB-CB 3.64Å; A134-Q140 HydrophobicContact CB-CG 4.01Å; A134-Q143 HydrophobicContact CB-CB 4.36Å; A134-Q143 VanDerWaalsContact CB-OE1 3.25Å
135A98.5Very high98.3Very high63 Ų6360.5 Ų60.552%0.52131%0.309SS..SBendtrans-72.6-28.6-175.100000113.8D121 Y122D121-A135 HydrophobicContact CB-CB 4.37Å; D121-A135 WeakPolarHBondContact O-CB 3.34Å; Y122-A135 WeakPolarHBondContact O-CB 3.48Å; Y122-A135 PolarHBondContact O-N 2.8Å
136D98.3Very high98.3Very high53 Ų5362.4 Ų62.428%0.28332%0.315SS..SBendtrans-150.2-174.9-179.969.730.9000113.7Y84 A138 A139 Q140Y84-D136 WeakPolarHBondContact CE1-OD2 3.5Å; Y84-D136 VanDerWaalsContact CZ-OD2 3.31Å; Y84-D136 VanDerWaalsContact OH-CG 3.27Å; Y84-D136 PolarHBondContact OH-OD1 3.34Å; Y84-D136 PolarHBondContact OH-OD2 2.94Å; D136-A138 VanDerWaalsContact C-N 3.32Å; D136-A138 PolarHBondContact O-N 2.83Å; D136-A138 WeakPolarHBondContact OD1-CA 3.44Å; D136-A138 WeakPolarHBondContact OD1-CB 3.47Å; D136-A138 PolarHBondContact OD1-N 3.32Å; D136-A139 WeakPolarHBondContact O-CB 3.32Å; D136-A139 PolarHBondContact O-N 2.92Å; D136-A139 PolarHBondContact OD1-N 3Å; D136-Q140 WeakPolarHBondContact O-CG 3.18Å; D136-Q140 PolarHBondContact O-N 2.89Å
137T97.9Very high98.2Very high110 Ų11064.7 Ų64.768%0.67533%0.325SS*.THydrogen-bonded Turntrans-69.2-22.9-179.351.20000114.4
138A97.7Very high98.3Very high5 Ų562.2 Ų62.24%0.04133%0.328CS..THydrogen-bonded Turntrans-81.2-31.5172.700000111.4Y84 Y122 D136 I141Y84-A138 HydrophobicContact CD1-CB 4.24Å; Y84-A138 HydrophobicContact CD2-CB 4.49Å; Y84-A138 HydrophobicContact CE1-CB 3.71Å; Y84-A138 HydrophobicContact CE2-CB 4Å; Y122-A138 PolarHBondContact OH-O 3.41Å; D136-A138 VanDerWaalsContact C-N 3.32Å; D136-A138 PolarHBondContact O-N 2.83Å; D136-A138 WeakPolarHBondContact OD1-CA 3.44Å; D136-A138 WeakPolarHBondContact OD1-CB 3.47Å; D136-A138 PolarHBondContact OD1-N 3.32Å; A138-I141 WeakPolarHBondContact O-CB 3.35Å; A138-I141 PolarHBondContact O-N 3.13Å
139A98.4Very high98.3Very high0 Ų061.3 Ų61.30%033%0.33CS..Hα-helixtrans-66.5-38.2169.500000112.5Y122 A134 D136 I141 T142 Q143Y122-A139 HydrophobicContact CD2-CB 3.81Å; Y122-A139 HydrophobicContact CE2-CB 3.64Å; Y122-A139 HydrophobicContact CG-CB 4.38Å; Y122-A139 WeakPolarHBondContact O-CB 3.49Å; A134-A139 HydrophobicContact CB-CB 3.64Å; D136-A139 WeakPolarHBondContact O-CB 3.32Å; D136-A139 PolarHBondContact O-N 2.92Å; D136-A139 PolarHBondContact OD1-N 3Å; A139-I141 PolarHBondContact O-N 3.22Å; A139-I141 VanDerWaalsContact O-N 3.14Å; A139-T142 PolarHBondContact O-N 3.1Å; A139-Q143 PolarHBondContact O-N 3.4Å
140Q98.6Very high98.3Very high70 Ų7068.1 Ų68.133%0.32736%0.355SS..Hα-helixtrans-58.6-25.2173.7-72.1175.819.800113.7A134 D136 R144A134-Q140 HydrophobicContact CB-CG 4.01Å; D136-Q140 WeakPolarHBondContact O-CG 3.18Å; D136-Q140 PolarHBondContact O-N 2.89Å; Q140-R144 WeakPolarHBondContact O-CD 3.42Å; Q140-R144 VanDerWaalsContact O-CG 3.27Å; Q140-R144 WeakPolarHBondContact O-CG 3.38Å; Q140-R144 PolarHBondContact O-N 3.11Å
141I98.2Very high98.3Very high61 Ų6163.2 Ų63.231%0.31334%0.34SS..Hα-helixtrans-68.4-38.4173.9-56.8174.2000110.6Y83 A138 A139 K145Y83-I141 HydrophobicContact CD1-CD1 4.23Å; Y83-I141 HydrophobicContact CD2-CB 4.38Å; Y83-I141 HydrophobicContact CD2-CD1 4.28Å; Y83-I141 HydrophobicContact CD2-CG2 4.45Å; Y83-I141 HydrophobicContact CE1-CG2 4.36Å; Y83-I141 HydrophobicContact CE2-CB 4.21Å; Y83-I141 HydrophobicContact CE2-CG2 3.92Å; Y83-I141 HydrophobicContact CG-CD1 4.05Å; A138-I141 WeakPolarHBondContact O-CB 3.35Å; A138-I141 PolarHBondContact O-N 3.13Å; A139-I141 PolarHBondContact O-N 3.22Å; A139-I141 VanDerWaalsContact O-N 3.14Å; I141-K145 WeakPolarHBondContact O-CG 3.33Å
142T98.2Very high98.3Very high16 Ų1661.6 Ų61.610%0.09833%0.328CS..Hα-helixtrans-76.1-43.1177.4-66.10000111.2Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.28Å; Y122-T142 WeakPolarHBondContact OH-CB 3.46Å; Y122-T142 PolarHBondContact OH-OG1 2.76Å; I123-T142 HydrophobicContact CD1-CG2 4.36Å; A139-T142 PolarHBondContact O-N 3.1Å; T142-R144 PolarHBondContact O-N 3.4Å; T142-K145 WeakPolarHBondContact O-CB 3.46Å; T142-K145 PolarHBondContact O-N 3.17Å; T142-K145 VanDerWaalsContact O-N 3.07Å; T142-W146 HydrophobicContact CG2-CD2 3.69Å; T142-W146 VanDerWaalsContact CG2-CE2 3.48Å; T142-W146 HydrophobicContact CG2-CE3 4.09Å; T142-W146 HydrophobicContact CG2-CG 4.21Å; T142-W146 HydrophobicContact CG2-CH2 4.11Å; T142-W146 HydrophobicContact CG2-CZ2 3.71Å; T142-W146 HydrophobicContact CG2-CZ3 4.3Å; T142-W146 PolarHBondContact O-N 3.48Å
143Q98.7Very high98.3Very high39 Ų3965.8 Ų65.818%0.18235%0.348CS..Hα-helixtrans-49.2-55.8173.7173.8170.39.200111.9I123 W132 A134 A139 K145 W146 E147I123-Q143 HydrophobicContact CD1-CB 3.83Å; W132-Q143 HydrophobicContact CB-CG 4.08Å; W132-Q143 PolarHBondContact O-NE2 2.92Å; A134-Q143 HydrophobicContact CB-CB 4.36Å; A134-Q143 VanDerWaalsContact CB-OE1 3.25Å; A139-Q143 PolarHBondContact O-N 3.4Å; Q143-K145 PolarHBondContact O-N 3.12Å; Q143-K145 VanDerWaalsContact O-N 3.15Å; Q143-W146 PolarHBondContact O-N 3.1Å; Q143-E147 VanDerWaalsContact CG-CD 3.43Å; Q143-E147 HydrophobicContact CG-CG 4.22Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.33Å; Q143-E147 PolarHBondContact NE2-OE1 3.21Å; Q143-E147 WeakPolarHBondContact O-CB 3.47Å; Q143-E147 WeakPolarHBondContact O-CG 3.36Å; Q143-E147 PolarHBondContact O-N 2.79Å
144R98.6Very high98.2Very high148 Ų14867.9 Ų67.956%0.55835%0.353SS*.Hα-helixtrans-60-29.5-178.5-67.4168-163.9154.310.8113.2Q140 T142 A148Q140-R144 WeakPolarHBondContact O-CD 3.42Å; Q140-R144 VanDerWaalsContact O-CG 3.27Å; Q140-R144 WeakPolarHBondContact O-CG 3.38Å; Q140-R144 PolarHBondContact O-N 3.11Å; T142-R144 PolarHBondContact O-N 3.4Å; R144-A148 VanDerWaalsContact O-CB 3.29Å; R144-A148 WeakPolarHBondContact O-CB 3.01Å; R144-A148 PolarHBondContact O-N 2.87Å
145K98.1Very high98.1Very high110 Ų11068.1 Ų68.148%0.47835%0.351SS..Hα-helixtrans-74.7-44.3174.9-69.4172.4-179.8-175.30111.6Y83 I141 T142 Q143 A148 A149Y83-K145 PolarHBondContact OH-NZ 2.88Å; I141-K145 WeakPolarHBondContact O-CG 3.33Å; T142-K145 WeakPolarHBondContact O-CB 3.46Å; T142-K145 PolarHBondContact O-N 3.17Å; T142-K145 VanDerWaalsContact O-N 3.07Å; Q143-K145 PolarHBondContact O-N 3.12Å; Q143-K145 VanDerWaalsContact O-N 3.15Å; K145-A148 PolarHBondContact O-N 2.63Å; K145-A149 VanDerWaalsContact O-CB 3.29Å; K145-A149 WeakPolarHBondContact O-CB 3.02Å; K145-A149 PolarHBondContact O-N 3.04Å
146W98.3Very high98.1Very high55 Ų5568.7 Ų68.721%0.20834%0.339CS..Hα-helixtrans-70.9-31.6-179.8-71.4-2.2000112.7Y115 I123 W132 T142 Q143 R150 E151Y115-W146 AromaticContact CD2-CH2 3.81Å; Y115-W146 HydrophobicContact CD2-CH2 3.81Å; Y115-W146 HydrophobicContact CD2-CZ3 4.3Å; Y115-W146 AromaticContact CE2-CH2 3.51Å; Y115-W146 HydrophobicContact CE2-CH2 3.51Å; Y115-W146 HydrophobicContact CE2-CZ2 4.46Å; Y115-W146 HydrophobicContact CE2-CZ3 4.17Å; I123-W146 HydrophobicContact CD1-CE3 3.97Å; I123-W146 HydrophobicContact CD1-CZ3 4.19Å; I123-W146 HydrophobicContact CG2-CE3 4.38Å; I123-W146 HydrophobicContact CG2-CH2 3.94Å; I123-W146 HydrophobicContact CG2-CZ3 3.56Å; W132-W146 HydrophobicContact CD2-CE3 4.1Å; W132-W146 AromaticContact CE2-CE3 3.9Å; W132-W146 AromaticContact CE3-CE3 3.95Å; W132-W146 HydrophobicContact CE3-CE3 3.95Å; W132-W146 HydrophobicContact CE3-CZ3 4.12Å; W132-W146 HydrophobicContact CH2-CD2 4.46Å; W132-W146 AromaticContact CH2-CE3 3.4Å; W132-W146 HydrophobicContact CH2-CE3 3.4Å; W132-W146 AromaticContact CH2-CZ3 3.55Å; W132-W146 HydrophobicContact CH2-CZ3 3.55Å; W132-W146 HydrophobicContact CZ2-CB 4.38Å; W132-W146 HydrophobicContact CZ2-CD2 4.35Å; W132-W146 AromaticContact CZ2-CE3 3.57Å; W132-W146 HydrophobicContact CZ2-CE3 3.57Å; W132-W146 HydrophobicContact CZ2-CZ3 4.21Å; W132-W146 AromaticContact CZ3-CE3 3.61Å; W132-W146 HydrophobicContact CZ3-CE3 3.61Å; W132-W146 AromaticContact CZ3-CZ3 3.51Å; W132-W146 HydrophobicContact CZ3-CZ3 3.51Å; T142-W146 HydrophobicContact CG2-CD2 3.69Å; T142-W146 VanDerWaalsContact CG2-CE2 3.48Å; T142-W146 HydrophobicContact CG2-CE3 4.09Å; T142-W146 HydrophobicContact CG2-CG 4.21Å; T142-W146 HydrophobicContact CG2-CH2 4.11Å; T142-W146 HydrophobicContact CG2-CZ2 3.71Å; T142-W146 HydrophobicContact CG2-CZ3 4.3Å; T142-W146 PolarHBondContact O-N 3.48Å; Q143-W146 PolarHBondContact O-N 3.1Å; W146-R150 WeakPolarHBondContact O-CA 3.04Å; W146-R150 PolarHBondContact O-N 2.92Å; W146-E151 HydrophobicContact CB-CB 4.05Å; W146-E151 HydrophobicContact CB-CG 3.89Å; W146-E151 HydrophobicContact CG-CB 4.25Å; W146-E151 HydrophobicContact CG-CG 3.86Å; W146-E151 PolarHBondContact O-N 2.97Å
147E98.5Very high98.1Very high89 Ų8969.3 Ų69.342%0.41635%0.352SS..Hα-helixtrans-65.2-50.1168.2-70.9167.3165.400111Q143 A149 R150Q143-E147 VanDerWaalsContact CG-CD 3.43Å; Q143-E147 HydrophobicContact CG-CG 4.22Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.33Å; Q143-E147 PolarHBondContact NE2-OE1 3.21Å; Q143-E147 WeakPolarHBondContact O-CB 3.47Å; Q143-E147 WeakPolarHBondContact O-CG 3.36Å; Q143-E147 PolarHBondContact O-N 2.79Å; E147-A149 VanDerWaalsContact C-N 3.3Å; E147-A149 PolarHBondContact O-N 3.12Å; E147-R150 PolarHBondContact O-N 3.19Å; E147-R150 VanDerWaalsContact O-N 3.09Å
148A98.4Very high98.1Very high87 Ų8766.1 Ų66.172%0.71933%0.328SS*.Hα-helixtrans-63.4-32.1177.700000113.6R144 K145R144-A148 VanDerWaalsContact O-CB 3.29Å; R144-A148 WeakPolarHBondContact O-CB 3.01Å; R144-A148 PolarHBondContact O-N 2.87Å; K145-A148 PolarHBondContact O-N 2.63Å
149A98Very high98.2Very high53 Ų5366 Ų6644%0.43833%0.326SS..THydrogen-bonded Turntrans-88.6-3.6175.100000114K145 E147 E151K145-A149 VanDerWaalsContact O-CB 3.29Å; K145-A149 WeakPolarHBondContact O-CB 3.02Å; K145-A149 PolarHBondContact O-N 3.04Å; E147-A149 VanDerWaalsContact C-N 3.3Å; E147-A149 PolarHBondContact O-N 3.12Å; A149-E151 VanDerWaalsContact C-N 3.26Å; A149-E151 HydrophobicContact CB-CG 4.02Å; A149-E151 PolarHBondContact O-N 2.82Å
150R97.8Very high98.1Very high152 Ų15270.1 Ų70.157%0.57435%0.346SS*.THydrogen-bonded Turntrans55.834.4-178.7-56.7172.469.8-173.7-0.2114W146 E147 A152 E153W146-R150 WeakPolarHBondContact O-CA 3.04Å; W146-R150 PolarHBondContact O-N 2.92Å; E147-R150 PolarHBondContact O-N 3.19Å; E147-R150 VanDerWaalsContact O-N 3.09Å; R150-A152 PolarHBondContact O-N 3.48Å; R150-E153 HydrophobicContact CB-CG 4.47Å; R150-E153 IonicContact CZ-OE1 3.91Å; R150-E153 IonicContact CZ-OE2 3.63Å; R150-E153 VanDerWaalsContact CZ-OE2 3.3Å; R150-E153 IonicContact NE-OE1 3.51Å; R150-E153 PolarHBondContact NE-OE1 3.07Å; R150-E153 IonicContact NE-OE2 3.92Å; R150-E153 PolarHBondContact NE-OE2 3.17Å; R150-E153 IonicContact NH2-OE1 3.38Å; R150-E153 PolarHBondContact NH2-OE1 3.41Å; R150-E153 IonicContact NH2-OE2 3.33Å; R150-E153 PolarHBondContact NH2-OE2 3.21Å; R150-E153 WeakPolarHBondContact O-CB 3.49Å; R150-E153 PolarHBondContact O-N 2.91Å
151E97.6Very high98.1Very high61 Ų6167.9 Ų67.929%0.28534%0.341SS..Hα-helixtrans-58-33.8-175.9-61.3-70.6-17100113W132 W146 A149 E153 Q154 L155W132-E151 HydrophobicContact CZ2-CB 4.4Å; W146-E151 HydrophobicContact CB-CB 4.05Å; W146-E151 HydrophobicContact CB-CG 3.89Å; W146-E151 HydrophobicContact CG-CB 4.25Å; W146-E151 HydrophobicContact CG-CG 3.86Å; W146-E151 PolarHBondContact O-N 2.97Å; A149-E151 VanDerWaalsContact C-N 3.26Å; A149-E151 HydrophobicContact CB-CG 4.02Å; A149-E151 PolarHBondContact O-N 2.82Å; E151-E153 PolarHBondContact O-N 2.86Å; E151-Q154 PolarHBondContact O-N 2.82Å; E151-Q154 VanDerWaalsContact O-N 3.09Å; E151-Q154 PolarHBondContact OE2-NE2 2.03Å; E151-L155 PolarHBondContact O-N 3.38Å
152A98.3Very high98.1Very high7 Ų769.1 Ų69.16%0.05835%0.348CS..Hα-helixtrans-56.5-32.6175.900000112.6L125 R130 W132 R150 R156L125-A152 HydrophobicContact CD1-CB 3.88Å; R130-A152 WeakPolarHBondContact O-CB 3.37Å; W132-A152 HydrophobicContact CZ2-CB 4.24Å; R150-A152 PolarHBondContact O-N 3.48Å; A152-R156 WeakPolarHBondContact O-CB 3.5Å; A152-R156 PolarHBondContact O-N 3.02Å
153E97.9Very high98.1Very high99 Ų9968.3 Ų68.346%0.46334%0.343SS..Hα-helixtrans-72.6-35.5178.4-62.7179.9-156.800112.2R150 E151 A157R150-E153 HydrophobicContact CB-CG 4.47Å; R150-E153 IonicContact CZ-OE1 3.91Å; R150-E153 IonicContact CZ-OE2 3.63Å; R150-E153 VanDerWaalsContact CZ-OE2 3.3Å; R150-E153 IonicContact NE-OE1 3.51Å; R150-E153 PolarHBondContact NE-OE1 3.07Å; R150-E153 IonicContact NE-OE2 3.92Å; R150-E153 PolarHBondContact NE-OE2 3.17Å; R150-E153 IonicContact NH2-OE1 3.38Å; R150-E153 PolarHBondContact NH2-OE1 3.41Å; R150-E153 IonicContact NH2-OE2 3.33Å; R150-E153 PolarHBondContact NH2-OE2 3.21Å; R150-E153 WeakPolarHBondContact O-CB 3.49Å; R150-E153 PolarHBondContact O-N 2.91Å; E151-E153 PolarHBondContact O-N 2.86Å; E153-A157 WeakPolarHBondContact O-CB 3.47Å; E153-A157 PolarHBondContact O-N 3.43Å
154Q96.7Very high98.1Very high125 Ų12566.8 Ų66.858%0.58434%0.336SS*.Hα-helixtrans-68.2-44174.5-60-172.161.900111E151 A157 Y158E151-Q154 PolarHBondContact O-N 2.82Å; E151-Q154 VanDerWaalsContact O-N 3.09Å; E151-Q154 PolarHBondContact OE2-NE2 2.03Å; Q154-A157 PolarHBondContact O-N 3.41Å; Q154-Y158 PolarHBondContact O-N 2.98Å
155L97.8Very high98.1Very high27 Ų2765.2 Ų65.214%0.14134%0.336CS..Hα-helixtrans-64.6-44.9176.3-68.3167.7000111.2D113 L125 W132 E151 A157 Y158 L159D113-L155 HydrophobicContact CB-CD1 4.26Å; D113-L155 WeakPolarHBondContact OD2-CD1 3.5Å; L125-L155 HydrophobicContact CD2-CB 4.18Å; L125-L155 HydrophobicContact CD2-CD1 4.5Å; W132-L155 HydrophobicContact CH2-CD1 3.42Å; W132-L155 VanDerWaalsContact CH2-CD1 3.42Å; W132-L155 HydrophobicContact CZ2-CD1 3.81Å; E151-L155 PolarHBondContact O-N 3.38Å; L155-A157 PolarHBondContact O-N 3.31Å; L155-Y158 WeakPolarHBondContact O-CB 3.45Å; L155-Y158 PolarHBondContact O-N 2.83Å; L155-Y158 VanDerWaalsContact O-N 3.17Å; L155-L159 WeakPolarHBondContact O-CB 3.31Å; L155-L159 WeakPolarHBondContact O-CG 3.43Å; L155-L159 PolarHBondContact O-N 2.78Å
156R98.4Very high98.1Very high75 Ų7562 Ų6228%0.28332%0.32SS..Hα-helixtrans-59.3-44.4175.4-175.1171.8176-112.8-21.7112.1L129 A152 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 3.97Å; L129-R156 HydrophobicContact CB-CG 3.72Å; L129-R156 HydrophobicContact CD1-CG 4.15Å; L129-R156 WeakPolarHBondContact O-CD 3.4Å; A152-R156 WeakPolarHBondContact O-CB 3.5Å; A152-R156 PolarHBondContact O-N 3.02Å; R156-Y158 VanDerWaalsContact C-N 3.31Å; R156-Y158 PolarHBondContact O-N 2.89Å; R156-L159 PolarHBondContact O-N 3.39Å; R156-E160 HydrophobicContact CG-CG 4.05Å; R156-E160 IonicContact CZ-OE1 3.54Å; R156-E160 IonicContact CZ-OE2 3.74Å; R156-E160 VanDerWaalsContact CZ-OE2 3.32Å; R156-E160 VanDerWaalsContact NE-CD 3.31Å; R156-E160 IonicContact NE-OE1 3.63Å; R156-E160 PolarHBondContact NE-OE1 2.98Å; R156-E160 IonicContact NE-OE2 2.71Å; R156-E160 PolarHBondContact NE-OE2 3.2Å; R156-E160 VanDerWaalsContact NH2-CD 3.27Å; R156-E160 IonicContact NH2-OE1 2.75Å; R156-E160 PolarHBondContact NH2-OE1 2.99Å; R156-E160 IonicContact NH2-OE2 3.83Å; R156-E160 PolarHBondContact NH2-OE2 2.99Å; R156-E160 WeakPolarHBondContact O-CB 3.22Å; R156-E160 WeakPolarHBondContact O-CG 3.37Å; R156-E160 PolarHBondContact O-N 2.99Å
157A98.3Very high98.1Very high66 Ų6659.4 Ų59.455%0.54531%0.31SS..Hα-helixtrans-62.7-35.817600000112.9E153 Q154 L155 G161E153-A157 WeakPolarHBondContact O-CB 3.47Å; E153-A157 PolarHBondContact O-N 3.43Å; Q154-A157 PolarHBondContact O-N 3.41Å; L155-A157 PolarHBondContact O-N 3.31Å; A157-G161 PolarHBondContact O-N 3.45Å
158Y98.1Very high98.1Very high44 Ų4460.9 Ų60.917%0.17331%0.312CS..Iπ-helixtrans-68.3-45171.4170-99.9000112.3Y98 Q154 L155 R156 G161 L162 C163Y98-Y158 AromaticContact CD2-CE1 3.87Å; Y98-Y158 HydrophobicContact CD2-CE1 3.87Å; Y98-Y158 AromaticContact CE2-CE1 3.63Å; Y98-Y158 HydrophobicContact CE2-CE1 3.63Å; Y98-Y158 AromaticContact CE2-CZ 3.98Å; Q154-Y158 PolarHBondContact O-N 2.98Å; L155-Y158 WeakPolarHBondContact O-CB 3.45Å; L155-Y158 PolarHBondContact O-N 2.83Å; L155-Y158 VanDerWaalsContact O-N 3.17Å; R156-Y158 VanDerWaalsContact C-N 3.31Å; R156-Y158 PolarHBondContact O-N 2.89Å; Y158-G161 CarbonylContact O-C 3.57Å; Y158-L162 HydrophobicContact CD2-CB 3.78Å; Y158-L162 HydrophobicContact CD2-CD1 4.25Å; Y158-L162 HydrophobicContact CE2-CB 4.01Å; Y158-L162 PolarHBondContact O-N 3.43Å; Y158-C163 HydrophobicContact CD1-CB 4.28Å; Y158-C163 HydrophobicContact CE1-CB 3.79Å; Y158-C163 HydrophobicContact CE2-CB 4.41Å; Y158-C163 WeakPolarHBondContact O-CB 3.31Å; Y158-C163 PolarHBondContact O-N 3.01Å
159L98.6Very high98Very high2 Ų262.3 Ų62.31%0.0130%0.299CS..Iπ-helixtrans-72.1-41.2-174.4-70.7171.1000113G99 C100 L125 L129 L155 R156 C163G99-L159 WeakPolarHBondContact O-CD2 3.14Å; C100-L159 HydrophobicContact CB-CD2 4.42Å; L125-L159 HydrophobicContact CD2-CD1 3.92Å; L129-L159 HydrophobicContact CD1-CB 4.41Å; L129-L159 HydrophobicContact CD2-CD1 4Å; L155-L159 WeakPolarHBondContact O-CB 3.31Å; L155-L159 WeakPolarHBondContact O-CG 3.43Å; L155-L159 PolarHBondContact O-N 2.78Å; R156-L159 PolarHBondContact O-N 3.39Å; L159-C163 HydrophobicContact CD2-CB 4.49Å
160E98.1Very high98Very high87 Ų8759.8 Ų59.841%0.40728%0.278SS..Iπ-helixtrans-76.1-28.2176.9-66.9-178.2161.800112.9L108 L129 R156L108-E160 HydrophobicContact CD2-CG 3.82Å; L129-E160 HydrophobicContact CD1-CG 4.25Å; R156-E160 HydrophobicContact CG-CG 4.05Å; R156-E160 IonicContact CZ-OE1 3.54Å; R156-E160 IonicContact CZ-OE2 3.74Å; R156-E160 VanDerWaalsContact CZ-OE2 3.32Å; R156-E160 VanDerWaalsContact NE-CD 3.31Å; R156-E160 IonicContact NE-OE1 3.63Å; R156-E160 PolarHBondContact NE-OE1 2.98Å; R156-E160 IonicContact NE-OE2 2.71Å; R156-E160 PolarHBondContact NE-OE2 3.2Å; R156-E160 VanDerWaalsContact NH2-CD 3.27Å; R156-E160 IonicContact NH2-OE1 2.75Å; R156-E160 PolarHBondContact NH2-OE1 2.99Å; R156-E160 IonicContact NH2-OE2 3.83Å; R156-E160 PolarHBondContact NH2-OE2 2.99Å; R156-E160 WeakPolarHBondContact O-CB 3.22Å; R156-E160 WeakPolarHBondContact O-CG 3.37Å; R156-E160 PolarHBondContact O-N 2.99Å
161G98.1Very high98Very high23 Ų2353.2 Ų53.224%0.23726%0.255CS..Iπ-helixtrans-105.3-96.9-17900000113.2A157 Y158 C163 V164 E165A157-G161 PolarHBondContact O-N 3.45Å; Y158-G161 CarbonylContact O-C 3.57Å; G161-C163 VanDerWaalsContact C-N 3.27Å; G161-C163 PolarHBondContact O-N 2.82Å; G161-C163 VanDerWaalsContact O-N 3.12Å; G161-V164 PolarHBondContact O-N 3.01Å; G161-E165 PolarHBondContact O-N 2.92Å
162L97.9Very high98Very high86 Ų8658.4 Ų58.445%0.4528%0.276SS..Iπ-helixtrans-52.5-39-168.7-72.7172.6000113.9Y158 E165 W166Y158-L162 HydrophobicContact CD2-CB 3.78Å; Y158-L162 HydrophobicContact CD2-CD1 4.25Å; Y158-L162 HydrophobicContact CE2-CB 4.01Å; Y158-L162 PolarHBondContact O-N 3.43Å; L162-E165 PolarHBondContact O-N 2.76Å; L162-W166 PolarHBondContact O-N 2.83Å
163C98.6Very high97.9Very high0 Ų060.3 Ų60.30%029%0.285CS..Iπ-helixtrans-60.6-48.6179.4-169.90000111.1M4 C100 Y158 L159 G161 E165 W166 L167M4-C163 HydrophobicContact CE-CB 4.17Å; M4-C163 WeakPolarHBondContact CE-O 3.21Å; M4-C163 WeakPolarHBondContact CE-SG 3.47Å; C100-C163 HydrophobicContact CB-CB 3.86Å; C100-C163 WeakPolarHBondContact CB-SG 3.47Å; C100-C163 PolarHBondContact N-SG 3.37Å; C100-C163 VanDerWaalsContact N-SG 3.38Å; C100-C163 WeakPolarHBondContact SG-CB 3.14Å; C100-C163 CovalentContact SG-SG 2.03Å; C100-C163 PolarHBondContact SG-SG 3.4Å; Y158-C163 HydrophobicContact CD1-CB 4.28Å; Y158-C163 HydrophobicContact CE1-CB 3.79Å; Y158-C163 HydrophobicContact CE2-CB 4.41Å; Y158-C163 WeakPolarHBondContact O-CB 3.31Å; Y158-C163 PolarHBondContact O-N 3.01Å; L159-C163 HydrophobicContact CD2-CB 4.49Å; G161-C163 VanDerWaalsContact C-N 3.27Å; G161-C163 PolarHBondContact O-N 2.82Å; G161-C163 VanDerWaalsContact O-N 3.12Å; C163-E165 PolarHBondContact O-N 2.77Å; C163-W166 PolarHBondContact O-N 3.43Å; C163-L167 WeakPolarHBondContact O-CB 3.49Å; C163-L167 PolarHBondContact O-N 3.48Å
164V98.6Very high97.8Very high6 Ų655.8 Ų55.84%0.03627%0.265CS..Hα-helixtrans-64.6-39.6176.7173.50000111.5V102 G106 L108 G161 R168V102-V164 HydrophobicContact CG1-CB 4.44Å; V102-V164 HydrophobicContact CG1-CG1 4.1Å; V102-V164 HydrophobicContact CG1-CG2 3.93Å; G106-V164 WeakPolarHBondContact O-CG1 3.18Å; L108-V164 HydrophobicContact CB-CG2 4.02Å; L108-V164 HydrophobicContact CD1-CG2 3.91Å; G161-V164 PolarHBondContact O-N 3.01Å; V164-R168 HydrophobicContact CG1-CG 4.46Å; V164-R168 WeakPolarHBondContact O-CB 3.41Å; V164-R168 WeakPolarHBondContact O-CG 3.44Å; V164-R168 PolarHBondContact O-N 3.49Å
165E98.3Very high97.7Very high116 Ų11655.8 Ų55.854%0.54226%0.263SS..Hα-helixtrans-63.7-46.9177.5-69178.3168.700112.7G161 L162 C163 R168 R169G161-E165 PolarHBondContact O-N 2.92Å; L162-E165 PolarHBondContact O-N 2.76Å; C163-E165 PolarHBondContact O-N 2.77Å; E165-R168 PolarHBondContact O-N 2.82Å; E165-R169 WeakPolarHBondContact O-CB 3.36Å; E165-R169 PolarHBondContact O-N 3.37Å
166W98.2Very high97.4Very high42 Ų4263 Ų6316%0.15930%0.296CS..Hα-helixtrans-68.9-40178.2-77.698.9000111.8M4 Y58 L162 C163 R169 Y170M4-W166 HydrophobicContact CE-CB 4.16Å; M4-W166 HydrophobicContact SD-CB 4.41Å; Y58-W166 HydrophobicContact CD2-CE3 4.46Å; Y58-W166 AromaticContact CD2-CH2 3.74Å; Y58-W166 HydrophobicContact CD2-CH2 3.74Å; Y58-W166 AromaticContact CD2-CZ3 3.68Å; Y58-W166 HydrophobicContact CD2-CZ3 3.68Å; Y58-W166 HydrophobicContact CE2-CE3 4.16Å; Y58-W166 HydrophobicContact CE2-CH2 4.25Å; Y58-W166 AromaticContact CE2-CZ3 3.8Å; Y58-W166 HydrophobicContact CE2-CZ3 3.8Å; L162-W166 PolarHBondContact O-N 2.83Å; C163-W166 PolarHBondContact O-N 3.43Å; W166-R169 WeakPolarHBondContact O-CB 3.43Å; W166-R169 PolarHBondContact O-N 2.87Å; W166-Y170 HydrophobicContact CB-CE2 4.17Å; W166-Y170 AromaticContact CE3-CE1 3.63Å; W166-Y170 HydrophobicContact CE3-CE1 3.63Å; W166-Y170 AromaticContact CE3-CZ 3.64Å; W166-Y170 HydrophobicContact CZ3-CE1 4.17Å; W166-Y170 VanDerWaalsContact O-CD2 3.32Å; W166-Y170 WeakPolarHBondContact O-CD2 3.27Å; W166-Y170 PolarHBondContact O-N 3Å
167L98.5Very high97.1Very high0 Ų061.8 Ų61.80%030%0.297CS..Hα-helixtrans-59.8-47.6173.3175.552000111.7H2 M4 V27 V102 C163 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.4Å; M4-L167 HydrophobicContact CB-CB 4.01Å; M4-L167 HydrophobicContact CB-CD1 4.04Å; M4-L167 HydrophobicContact CB-CD2 4.09Å; M4-L167 HydrophobicContact CB-CG 4.26Å; M4-L167 HydrophobicContact CE-CB 4.45Å; V27-L167 HydrophobicContact CG1-CD1 3.59Å; V27-L167 HydrophobicContact CG2-CD1 4.2Å; V102-L167 HydrophobicContact CB-CD2 4.38Å; V102-L167 HydrophobicContact CG1-CD2 3.96Å; V102-L167 HydrophobicContact CG2-CD2 3.62Å; V102-L167 HydrophobicContact CG2-CG 4.21Å; C163-L167 WeakPolarHBondContact O-CB 3.49Å; C163-L167 PolarHBondContact O-N 3.48Å; L167-R169 VanDerWaalsContact C-N 3.29Å; L167-R169 PolarHBondContact O-N 3.5Å; L167-Y170 PolarHBondContact O-N 3.35Å; L167-L171 HydrophobicContact CD1-CD1 3.73Å; L167-L171 HydrophobicContact CD1-CD2 4.37Å; L167-L171 HydrophobicContact CD1-CG 3.8Å; L167-L171 HydrophobicContact CG-CD1 3.91Å; L167-L171 HydrophobicContact CG-CG 4.44Å; L167-L171 WeakPolarHBondContact O-CB 3.19Å; L167-L171 VanDerWaalsContact O-CG 3.29Å; L167-L171 WeakPolarHBondContact O-CG 3.4Å; L167-L171 PolarHBondContact O-N 3.05Å
168R97.9Very high96.8Very high121 Ų12158.8 Ų58.846%0.45727%0.272SS..Hα-helixtrans-59.1-38.2174.6-72.6170.5-177.1176.83.4112.6G106 V164 E165 K172G106-R168 VanDerWaalsContact O-CZ 3.23Å; G106-R168 PolarHBondContact O-NE 3.3Å; G106-R168 PolarHBondContact O-NH2 2.66Å; V164-R168 HydrophobicContact CG1-CG 4.46Å; V164-R168 WeakPolarHBondContact O-CB 3.41Å; V164-R168 WeakPolarHBondContact O-CG 3.44Å; V164-R168 PolarHBondContact O-N 3.49Å; E165-R168 PolarHBondContact O-N 2.82Å; R168-K172 WeakPolarHBondContact O-CB 3.32Å; R168-K172 PolarHBondContact O-N 2.9Å; R168-K172 VanDerWaalsContact O-N 3.12Å
169R97.5Very high96.5Very high116 Ų11661.3 Ų61.344%0.43829%0.285SS..Hα-helixtrans-64.7-47.1175-179.4178.2175.7115.4-5111.1E54 E165 W166 L167 K172 N173E54-R169 VanDerWaalsContact CD-NH2 3.35Å; E54-R169 IonicContact OE1-CZ 3.37Å; E54-R169 IonicContact OE1-NE 3.82Å; E54-R169 PolarHBondContact OE1-NE 3.43Å; E54-R169 IonicContact OE1-NH2 2.79Å; E54-R169 PolarHBondContact OE1-NH2 2.68Å; E54-R169 IonicContact OE2-CZ 2.73Å; E54-R169 IonicContact OE2-NE 2.76Å; E54-R169 PolarHBondContact OE2-NE 3.38Å; E54-R169 IonicContact OE2-NH2 2.88Å; E54-R169 PolarHBondContact OE2-NH2 3.21Å; E165-R169 WeakPolarHBondContact O-CB 3.36Å; E165-R169 PolarHBondContact O-N 3.37Å; W166-R169 WeakPolarHBondContact O-CB 3.43Å; W166-R169 PolarHBondContact O-N 2.87Å; L167-R169 VanDerWaalsContact C-N 3.29Å; L167-R169 PolarHBondContact O-N 3.5Å; R169-K172 WeakPolarHBondContact O-CB 3.46Å; R169-K172 PolarHBondContact O-N 2.98Å; R169-N173 WeakPolarHBondContact O-CB 3.49Å; R169-N173 PolarHBondContact O-N 3.4Å; R169-N173 PolarHBondContact O-OD1 2.86Å; R169-N173 VanDerWaalsContact O-OD1 3.12Å
170Y97.9Very high96.2Very high1 Ų165 Ų650%0.00430%0.299CS..Hα-helixtrans-65-43.4178.8-61.2-25.3000112.6M4 V27 F32 W50 V51 Y58 W166 L167 K172 N173 G174M4-Y170 HydrophobicContact SD-CD2 3.83Å; M4-Y170 HydrophobicContact SD-CE2 3.56Å; M4-Y170 VanDerWaalsContact SD-CE2 3.56Å; V27-Y170 HydrophobicContact CG2-CD2 3.76Å; V27-Y170 HydrophobicContact CG2-CG 4.36Å; F32-Y170 HydrophobicContact CD2-CE2 4.39Å; F32-Y170 HydrophobicContact CE1-CE2 4.35Å; F32-Y170 HydrophobicContact CE2-CD2 4.41Å; F32-Y170 AromaticContact CE2-CE2 3.66Å; F32-Y170 HydrophobicContact CE2-CE2 3.66Å; F32-Y170 AromaticContact CE2-CZ 3.94Å; F32-Y170 HydrophobicContact CZ-CD2 4.27Å; F32-Y170 AromaticContact CZ-CE2 3.64Å; F32-Y170 HydrophobicContact CZ-CE2 3.64Å; W50-Y170 HydrophobicContact CE3-CD1 4.24Å; W50-Y170 HydrophobicContact CE3-CG 4.35Å; W50-Y170 HydrophobicContact CH2-CD2 4.28Å; W50-Y170 AromaticContact CH2-CG 4Å; W50-Y170 HydrophobicContact CH2-CG 4Å; W50-Y170 VanDerWaalsContact CZ3-CB 3.49Å; W50-Y170 AromaticContact CZ3-CD1 3.6Å; W50-Y170 HydrophobicContact CZ3-CD1 3.6Å; W50-Y170 HydrophobicContact CZ3-CD2 4.08Å; W50-Y170 HydrophobicContact CZ3-CE1 4.35Å; W50-Y170 AromaticContact CZ3-CG 3.45Å; W50-Y170 HydrophobicContact CZ3-CG 3.45Å; W50-Y170 VanDerWaalsContact CZ3-CG 3.45Å; V51-Y170 HydrophobicContact CG2-CE1 4.18Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.26Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.01Å; Y58-Y170 PolarHBondContact OH-OH 3.24Å; W166-Y170 HydrophobicContact CB-CE2 4.17Å; W166-Y170 AromaticContact CE3-CE1 3.63Å; W166-Y170 HydrophobicContact CE3-CE1 3.63Å; W166-Y170 AromaticContact CE3-CZ 3.64Å; W166-Y170 HydrophobicContact CZ3-CE1 4.17Å; W166-Y170 VanDerWaalsContact O-CD2 3.32Å; W166-Y170 WeakPolarHBondContact O-CD2 3.27Å; W166-Y170 PolarHBondContact O-N 3Å; L167-Y170 PolarHBondContact O-N 3.35Å; Y170-K172 PolarHBondContact O-N 3.2Å; Y170-N173 PolarHBondContact O-N 2.88Å; Y170-G174 PolarHBondContact O-N 3.24Å
171L97.3Very high96Very high14 Ų1462.7 Ų62.77%0.07330%0.295CS..Hα-helixtrans-60.6-33.2173.9-69.3168.4000112.6H2 V27 L167 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.63Å; H2-L171 HydrophobicContact CB-CD2 3.96Å; H2-L171 HydrophobicContact CB-CG 4.38Å; H2-L171 VanDerWaalsContact CG-CD2 3.48Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.38Å; V27-L171 HydrophobicContact CG1-CD2 4.04Å; L167-L171 HydrophobicContact CD1-CD1 3.73Å; L167-L171 HydrophobicContact CD1-CD2 4.37Å; L167-L171 HydrophobicContact CD1-CG 3.8Å; L167-L171 HydrophobicContact CG-CD1 3.91Å; L167-L171 HydrophobicContact CG-CG 4.44Å; L167-L171 WeakPolarHBondContact O-CB 3.19Å; L167-L171 VanDerWaalsContact O-CG 3.29Å; L167-L171 WeakPolarHBondContact O-CG 3.4Å; L167-L171 PolarHBondContact O-N 3.05Å; L171-K175 WeakPolarHBondContact O-CA 3.19Å; L171-K175 PolarHBondContact O-N 3.13Å; L171-L178 HydrophobicContact CD2-CB 4.1Å; L171-L178 HydrophobicContact CD2-CD1 4.32Å; L171-Q179 PolarHBondContact O-NE2 3.12Å
172K96.8Very high95.9Very high170 Ų17064.3 Ų64.374%0.73930%0.296SS*.Hα-helixtrans-72.8-44.7173.1-177.3-177.8175.7-175.10112R168 R169 Y170R168-K172 WeakPolarHBondContact O-CB 3.32Å; R168-K172 PolarHBondContact O-N 2.9Å; R168-K172 VanDerWaalsContact O-N 3.12Å; R169-K172 WeakPolarHBondContact O-CB 3.46Å; R169-K172 PolarHBondContact O-N 2.98Å; Y170-K172 PolarHBondContact O-N 3.2Å
173N96.8Very high95.9Very high47 Ų4765.1 Ų65.125%0.25130%0.297SS..Hα-helixtrans-65.8-48.8-179.2-68.82000111.6W50 Q53 E54 R169 Y170W50-N173 HydrophobicContact CB-CB 4.25Å; Q53-N173 PolarHBondContact NE2-ND2 2.98Å; Q53-N173 PolarHBondContact NE2-OD1 2.9Å; E54-N173 PolarHBondContact OE1-ND2 2.63Å; E54-N173 VanDerWaalsContact OE1-ND2 3.11Å; R169-N173 WeakPolarHBondContact O-CB 3.49Å; R169-N173 PolarHBondContact O-N 3.4Å; R169-N173 PolarHBondContact O-OD1 2.86Å; R169-N173 VanDerWaalsContact O-OD1 3.12Å; Y170-N173 PolarHBondContact O-N 2.88Å
174G96.1Very high95.8Very high3 Ų365.5 Ų65.53%0.03130%0.3CS..THydrogen-bonded Turntrans-96.426-176.300000114.1W50 Y170 E176 T177 L178W50-G174 VanDerWaalsContact CB-CA 3.41Å; W50-G174 VanDerWaalsContact CG-CA 3.42Å; Y170-G174 PolarHBondContact O-N 3.24Å; G174-E176 PolarHBondContact O-N 3.09Å; G174-E176 VanDerWaalsContact O-N 3.15Å; G174-T177 PolarHBondContact O-N 3.01Å; G174-T177 PolarHBondContact O-OG1 3.49Å; G174-L178 WeakPolarHBondContact O-CB 3.42Å; G174-L178 WeakPolarHBondContact O-CG 3.41Å; G174-L178 PolarHBondContact O-N 2.7Å
175K94.6Very high95.8Very high126 Ų12672 Ų7255%0.54833%0.327SS..Hα-helixtrans-48.9-46-172.7-177.2-178.8180-167.90112.7L171 T177 Q179L171-K175 WeakPolarHBondContact O-CA 3.19Å; L171-K175 PolarHBondContact O-N 3.13Å; K175-T177 PolarHBondContact O-N 2.84Å; K175-Q179 HydrophobicContact CG-CB 4.23Å; K175-Q179 HydrophobicContact CG-CG 4.35Å; K175-Q179 WeakPolarHBondContact O-CB 3.34Å; K175-Q179 PolarHBondContact O-N 3.08Å
176E91.8Very high95.8Very high177 Ų17768.1 Ų68.183%0.82731%0.312SS*.Hα-helixtrans-65.9-18.7-177.4-61.1-179167.900113.8G174 R180G174-E176 PolarHBondContact O-N 3.09Å; G174-E176 VanDerWaalsContact O-N 3.15Å; E176-R180 WeakPolarHBondContact O-CD 3.26Å
177T91.3Very high95.7Very high50 Ų5070 Ų7031%0.30732%0.322SS..Hα-helixtrans-112.1-26-178.649.40000114.6G174 K175 R180G174-T177 PolarHBondContact O-N 3.01Å; G174-T177 PolarHBondContact O-OG1 3.49Å; K175-T177 PolarHBondContact O-N 2.84Å; T177-R180 WeakPolarHBondContact O-CG 3.47Å; T177-R180 PolarHBondContact O-NE 3.32Å; T177-R180 VanDerWaalsContact O-NE 3.09Å
178L93.1Very high95.7Very high4 Ų471 Ų712%0.02133%0.329CS..Hα-helixtrans-105.8-20.4-175-59.7173.2000113.5H2 V27 T30 W50 L171 G174H2-L178 PolarHBondContact CE1-O 3.06Å; V27-L178 HydrophobicContact CB-CD1 4.34Å; V27-L178 HydrophobicContact CB-CD2 4.25Å; V27-L178 HydrophobicContact CG1-CD1 3.91Å; V27-L178 HydrophobicContact CG1-CD2 4.13Å; T30-L178 HydrophobicContact CG2-CD2 4.04Å; W50-L178 HydrophobicContact CD2-CD1 4.33Å; W50-L178 HydrophobicContact CH2-CD1 4.32Å; W50-L178 HydrophobicContact CZ2-CD1 3.73Å; W50-L178 HydrophobicContact CZ2-CD2 4.03Å; W50-L178 HydrophobicContact CZ2-CG 4.31Å; L171-L178 HydrophobicContact CD2-CB 4.1Å; L171-L178 HydrophobicContact CD2-CD1 4.32Å; G174-L178 WeakPolarHBondContact O-CB 3.42Å; G174-L178 WeakPolarHBondContact O-CG 3.41Å; G174-L178 PolarHBondContact O-N 2.7Å
179Q91.3Very high95.7Very high96 Ų9666.9 Ų66.945%0.44932%0.317SS..SBendtrans-112.529.9176-57.4178.230.600111.1L171 K175L171-Q179 PolarHBondContact O-NE2 3.12Å; K175-Q179 HydrophobicContact CG-CB 4.23Å; K175-Q179 HydrophobicContact CG-CG 4.35Å; K175-Q179 WeakPolarHBondContact O-CB 3.34Å; K175-Q179 PolarHBondContact O-N 3.08Å
180R92.3Very high95.6Very high80 Ų8063.9 Ų63.930%0.30231%0.307SS..  trans-106.4147.6169.467.2-178.8176.5151.919.4108.5E176 T177 E182 Y208E176-R180 WeakPolarHBondContact O-CD 3.26Å; T177-R180 WeakPolarHBondContact O-CG 3.47Å; T177-R180 PolarHBondContact O-NE 3.32Å; T177-R180 VanDerWaalsContact O-NE 3.09Å; R180-E182 IonicContact CZ-OE1 2.76Å; R180-E182 IonicContact NE-OE1 3.38Å; R180-E182 IonicContact NH1-OE1 3.25Å; R180-E182 PolarHBondContact NH1-OE1 3.18Å; R180-E182 IonicContact NH2-OE1 3.59Å; R180-E182 PolarHBondContact NH2-OE1 2.95Å; R180-Y208 HydrophobicContact CG-CD1 4.26Å; R180-Y208 WeakPolarHBondContact O-CD1 3.42Å
181A94.2Very high95.5Very high38 Ų3867.4 Ų67.431%0.31432%0.324SS..  trans-115.4129.3159.400000108.1Y208 E263 G264A181-Y208 CarbonylContact C-O 3.59Å; A181-Y208 VanDerWaalsContact CA-O 3.27Å; A181-Y208 WeakPolarHBondContact CA-O 3.22Å; A181-E263 HydrophobicContact CB-CG 4.18Å; A181-G264 VanDerWaalsContact CB-CA 3.49Å
182E95.8Very high95.3Very high58 Ų5871.5 Ų71.527%0.27135%0.351SS..BIsolated β-bridgetrans-101.2120.2171.8-68.9-167.2-132.400108.6R180 F207 Y208 H262R180-E182 IonicContact CZ-OE1 2.76Å; R180-E182 IonicContact NE-OE1 3.38Å; R180-E182 IonicContact NH1-OE1 3.25Å; R180-E182 PolarHBondContact NH1-OE1 3.18Å; R180-E182 IonicContact NH2-OE1 3.59Å; R180-E182 PolarHBondContact NH2-OE1 2.95Å; E182-F207 WeakPolarHBondContact O-CA 3.36Å; E182-F207 VanDerWaalsContact O-CB 3.3Å; E182-F207 WeakPolarHBondContact O-CB 3.49Å; E182-Y208 PolarHBondContact N-O 2.93Å; E182-Y208 PolarHBondContact O-N 2.82Å; E182-Y208 VanDerWaalsContact O-N 3.13Å; E182-H262 PolarHBondContact O-CE1 3.35Å
183H96.6Very high95.1Very high102 Ų10267.7 Ų67.747%0.47234%0.342SS..PPolyproline II helixtrans-67.3142.8-177.8-47.5-98000111.5K185 G264 L265H183-K185 PolarHBondContact O-N 3.09Å; H183-G264 PolarHBondContact CE1-O 2.81Å; H183-G264 VanDerWaalsContact ND1-C 3.25Å; H183-G264 PolarHBondContact ND1-O 3.22Å; H183-L265 HydrophobicContact CB-CD2 4.15Å
184P98Very high94.9Very high8 Ų867.9 Ų67.95%0.05235%0.347CS..PPolyproline II helixtrans-65.2128.7174.727.9-35.3000111.9T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 3.91Å; P184-T186 HydrophobicContact CG-CG2 4.15Å; P184-T186 PolarHBondContact O-N 2.82Å; P184-A204 HydrophobicContact CB-CB 3.81Å; P184-F207 HydrophobicContact CB-CB 3.96Å; P184-F207 HydrophobicContact CB-CD1 3.91Å; P184-F207 HydrophobicContact CB-CG 4.21Å; P184-I212 HydrophobicContact CB-CD1 4.01Å; P184-I212 HydrophobicContact CG-CD1 4.12Å; P184-V260 HydrophobicContact CG-CG1 3.93Å; P184-H262 HydrophobicContact CG-CB 4.17Å; P184-L265 HydrophobicContact CG-CD1 3.88Å; P184-L265 HydrophobicContact CG-CD2 4.43Å; P184-L265 HydrophobicContact CG-CG 4.24Å
185K98Very high94.6Very high142 Ų14274.9 Ų74.962%0.61738%0.384SS*.EExtended strand (participates in β ladder)trans-78.3105166.2-64.1158.4-171.2154.20107.3H183 L205H183-K185 PolarHBondContact O-N 3.09Å; K185-L205 WeakPolarHBondContact CB-O 3.46Å; K185-L205 PolarHBondContact N-O 3.17Å; K185-L205 PolarHBondContact O-N 3.39Å
186T98Very high94.5Very high36 Ų3675.9 Ų75.922%0.22139%0.39CS..EExtended strand (participates in β ladder)trans-107.6145.7-170.154.60000113.6P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 3.91Å; P184-T186 HydrophobicContact CG-CG2 4.15Å; P184-T186 PolarHBondContact O-N 2.82Å; T186-W203 WeakPolarHBondContact CA-O 3.49Å; T186-A204 HydrophobicContact CG2-CB 4.31Å; T186-V260 HydrophobicContact CG2-CB 4.44Å; T186-V260 HydrophobicContact CG2-CG1 4.15Å; T186-V260 HydrophobicContact CG2-CG2 4.07Å; T186-L269 HydrophobicContact CG2-CD1 4.32Å; T186-L271 HydrophobicContact CG2-CD1 4.14Å
187H97.3Very high94.6Very high81 Ų8171.9 Ų71.938%0.37537%0.372SS..EExtended strand (participates in β ladder)trans-160.6161.3171.362.8-71.9000110.8W203H187-W203 AromaticContact CE1-CD1 3.93Å; H187-W203 AromaticContact CE1-CG 3.73Å; H187-W203 PolarHBondContact N-O 2.93Å; H187-W203 AromaticContact NE2-CD1 3.59Å; H187-W203 AromaticContact NE2-CG 3.84Å; H187-W203 PolarHBondContact O-N 3.39Å
188V98.1Very high94.9Very high22 Ų2269.7 Ų69.713%0.13336%0.358CS..EExtended strand (participates in β ladder)trans-111.5123.6174.81790000109.5L200 R201 C202 W216 L271 W273V188-L200 HydrophobicContact CG1-CB 4.3Å; V188-L200 HydrophobicContact CG1-CD2 4.35Å; V188-R201 CarbonylContact C-O 3.6Å; V188-R201 WeakPolarHBondContact CA-O 3.34Å; V188-C202 HydrophobicContact CG2-CB 4.33Å; V188-W216 HydrophobicContact CG1-CH2 3.83Å; V188-W216 HydrophobicContact CG1-CZ2 4.25Å; V188-W216 HydrophobicContact CG2-CH2 4.15Å; V188-L271 HydrophobicContact CG2-CB 4.08Å; V188-W273 HydrophobicContact CB-CB 4.48Å; V188-W273 HydrophobicContact CG1-CB 3.86Å
189T96.8Very high95.1Very high34 Ų3470.6 Ų70.621%0.20936%0.364CS..EExtended strand (participates in β ladder)trans-98.7142.7170.760.60000110.7H191 L200 R201 W203T189-H191 WeakPolarHBondContact CB-NE2 3.49Å; T189-H191 PolarHBondContact OG1-NE2 2.89Å; T189-L200 WeakPolarHBondContact O-CA 3.4Å; T189-R201 PolarHBondContact N-O 2.99Å; T189-R201 PolarHBondContact O-N 3.23Å; T189-W203 PolarHBondContact OG1-NE1 2.86Å; T189-W203 VanDerWaalsContact OG1-NE1 3.13Å
190H96Very high95.4Very high52 Ų5266 Ų6624%0.24134%0.343CS..EExtended strand (participates in β ladder)trans-114.9130.9179.3166-89.9000109.8A198 L200 W273H190-A198 VanDerWaalsContact NE2-CB 3.28Å; H190-A198 WeakPolarHBondContact NE2-CB 3.38Å; H190-L200 HydrophobicContact CB-CD2 3.93Å; H190-W273 HydrophobicContact CB-CD2 3.99Å; H190-W273 HydrophobicContact CB-CG 4.05Å; H190-W273 HydrophobicContact CB-CZ2 4.02Å; H190-W273 VanDerWaalsContact CB-NE1 3.35Å; H190-W273 AromaticContact CG-CE2 3.75Å; H190-W273 AromaticContact CG-CZ2 3.77Å; H190-W273 AromaticContact ND1-CZ2 3.87Å
191H95Very high95.6Very high76 Ų7664.3 Ų64.335%0.35234%0.336SS..EExtended strand (participates in β ladder)trans-132.2105.1-176.7-52-78.8000109.8T189 V193 A198 T199 R201T189-H191 WeakPolarHBondContact CB-NE2 3.49Å; T189-H191 PolarHBondContact OG1-NE2 2.89Å; H191-V193 PolarHBondContact O-N 3.36Å; H191-A198 CarbonylContact O-C 3.54Å; H191-A198 WeakPolarHBondContact O-CA 3.22Å; H191-T199 PolarHBondContact N-O 2.92Å; H191-T199 PolarHBondContact O-N 2.78Å; H191-R201 PolarHBondContact CD2-NH1 3.19Å; H191-R201 PolarHBondContact NE2-NH1 2.84Å
192P94.1Very high95.8Very high100 Ų10062.5 Ų62.565%0.64932%0.321SS*.EExtended strand (participates in β ladder)trans-57.5134.7173.2-23.133.1000111.3
193V91.7Very high96Very high90 Ų9062.3 Ų62.355%0.54532%0.318SS..  trans-110-39.7176.6-178.60000110.2H191 E197 T199H191-V193 PolarHBondContact O-N 3.36Å; V193-E197 PolarHBondContact N-O 2.84Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.45Å
194S92.5Very high96.1Very high51 Ų5157.4 Ų57.436%0.35730%0.295SS..SBendtrans-145.9-177.7172.172.30000110.3H196 E197S194-H196 PolarHBondContact O-N 3.06Å; S194-H196 PolarHBondContact OG-N 3.15Å; S194-H196 VanDerWaalsContact OG-N 3.1Å; S194-E197 PolarHBondContact N-O 3.29Å; S194-E197 PolarHBondContact OG-N 2.95Å; S194-E197 VanDerWaalsContact OG-N 3.13Å
195D89.6Confident96.1Very high149 Ų14959.8 Ų59.880%0.79731%0.307SS*.SBendtrans-64.3-16.6170.5-62.6-33.3000112.5S250D195-S250 PolarHBondContact O-OG 3.08Å
196H92.9Very high96.1Very high147 Ų14753.4 Ų53.468%0.68128%0.282SS*.SBendtrans-110.6-15.1-173.8-54.1-33.2000114S194 P249 S250S194-H196 PolarHBondContact O-N 3.06Å; S194-H196 PolarHBondContact OG-N 3.15Å; S194-H196 VanDerWaalsContact OG-N 3.1Å; H196-P249 WeakPolarHBondContact O-CA 3.43Å; H196-S250 WeakPolarHBondContact CA-OG 3.3Å; H196-S250 PolarHBondContact O-N 2.85Å; H196-S250 PolarHBondContact O-OG 2.88Å
197E95.1Very high96.1Very high94 Ų9451.7 Ų51.744%0.43927%0.272SS..EExtended strand (participates in β ladder)trans-143.6140.8-170.8-66.5176.1171.100112.2V193 S194 V247 V248 S250V193-E197 PolarHBondContact N-O 2.84Å; S194-E197 PolarHBondContact N-O 3.29Å; S194-E197 PolarHBondContact OG-N 2.95Å; S194-E197 VanDerWaalsContact OG-N 3.13Å; E197-V247 HydrophobicContact CB-CG1 4.08Å; E197-V247 HydrophobicContact CG-CG1 4.29Å; E197-V248 WeakPolarHBondContact CA-O 3.47Å; E197-S250 PolarHBondContact N-OG 3.48Å
198A95.8Very high96.1Very high3 Ų348 Ų483%0.02526%0.255CS..EExtended strand (participates in β ladder)trans-130.7155.517000000111.1H190 H191 V247 V248H190-A198 VanDerWaalsContact NE2-CB 3.28Å; H190-A198 WeakPolarHBondContact NE2-CB 3.38Å; H191-A198 CarbonylContact O-C 3.54Å; H191-A198 WeakPolarHBondContact O-CA 3.22Å; A198-V247 WeakPolarHBondContact O-CA 3.45Å; A198-V248 HydrophobicContact CB-CG2 4.48Å; A198-V248 PolarHBondContact N-O 3.43Å; A198-V248 PolarHBondContact O-N 2.8Å
199T97.3Very high96Very high23 Ų2347.9 Ų47.914%0.14125%0.254CS..EExtended strand (participates in β ladder)trans-95.3120167.7-51.50000109.8H191 V193 A245 V246H191-T199 PolarHBondContact N-O 2.92Å; H191-T199 PolarHBondContact O-N 2.78Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.45Å; T199-A245 HydrophobicContact CG2-CB 3.87Å; T199-V246 WeakPolarHBondContact CA-O 3.46Å
200L97.8Very high96Very high0 Ų046.9 Ų46.90%025%0.249CC..EExtended strand (participates in β ladder)trans-88.5130.1162.2-62.6-175.7000108.8V188 T189 H190 W216 A245 V246 V248 E253 W273V188-L200 HydrophobicContact CG1-CB 4.3Å; V188-L200 HydrophobicContact CG1-CD2 4.35Å; T189-L200 WeakPolarHBondContact O-CA 3.4Å; H190-L200 HydrophobicContact CB-CD2 3.93Å; L200-W216 HydrophobicContact CB-CH2 3.69Å; L200-W216 HydrophobicContact CB-CZ2 3.74Å; L200-W216 HydrophobicContact CD1-CH2 3.91Å; L200-W216 HydrophobicContact CD1-CZ3 4.1Å; L200-W216 HydrophobicContact CG-CH2 4.45Å; L200-A245 CarbonylContact O-C 3.5Å; L200-A245 WeakPolarHBondContact O-CA 3.45Å; L200-A245 WeakPolarHBondContact O-CB 3.08Å; L200-V246 HydrophobicContact CB-CG2 4.22Å; L200-V246 PolarHBondContact N-O 3.02Å; L200-V246 PolarHBondContact O-N 3.21Å; L200-V248 HydrophobicContact CD1-CG1 4.05Å; L200-V248 HydrophobicContact CD1-CG2 4.18Å; L200-V248 HydrophobicContact CG-CG1 4.13Å; L200-V248 HydrophobicContact CG-CG2 3.89Å; L200-E253 HydrophobicContact CD1-CB 4.14Å; L200-E253 HydrophobicContact CD2-CB 4.42Å; L200-E253 HydrophobicContact CD2-CG 4.44Å; L200-W273 HydrophobicContact CD1-CB 4.47Å; L200-W273 HydrophobicContact CD2-CB 3.83Å; L200-W273 HydrophobicContact CD2-CD2 4.42Å; L200-W273 HydrophobicContact CD2-CG 4.04Å
201R98.2Very high96.1Very high44 Ų4451.3 Ų51.317%0.16627%0.27CS..EExtended strand (participates in β ladder)trans-124.5113.1175.3-179175.1-71.71023.5110.2V188 T189 H191 W203 E228 W243 A245V188-R201 CarbonylContact C-O 3.6Å; V188-R201 WeakPolarHBondContact CA-O 3.34Å; T189-R201 PolarHBondContact N-O 2.99Å; T189-R201 PolarHBondContact O-N 3.23Å; H191-R201 PolarHBondContact CD2-NH1 3.19Å; H191-R201 PolarHBondContact NE2-NH1 2.84Å; R201-W203 VanDerWaalsContact CD-CZ2 3.48Å; R201-W203 HydrophobicContact CG-CZ2 4.38Å; R201-E228 IonicContact NH2-OE2 2.67Å; R201-E228 PolarHBondContact NH2-OE2 2.92Å; R201-W243 HydrophobicContact CG-CB 3.99Å; R201-W243 HydrophobicContact CG-CD2 4.01Å; R201-W243 HydrophobicContact CG-CE3 3.78Å; R201-W243 HydrophobicContact CG-CG 4.15Å; R201-W243 VanDerWaalsContact NE-CE3 3.26Å; R201-W243 VanDerWaalsContact NE-CZ3 3.26Å; R201-A245 HydrophobicContact CB-CB 3.95Å; R201-A245 HydrophobicContact CG-CB 4.09Å
202C98.3Very high96.2Very high0 Ų048.2 Ų48.20%026%0.256CS..EExtended strand (participates in β ladder)trans-85.7123.8173.9-174.60000109.6V188 W216 W243 A244 C258V188-C202 HydrophobicContact CG2-CB 4.33Å; C202-W216 HydrophobicContact CB-CH2 4.43Å; C202-W216 HydrophobicContact CB-CZ2 3.6Å; C202-W243 CarbonylContact O-C 3.57Å; C202-W243 WeakPolarHBondContact O-CA 3.29Å; C202-W243 WeakPolarHBondContact O-CB 3.32Å; C202-A244 PolarHBondContact N-O 3.2Å; C202-A244 PolarHBondContact O-N 3.28Å; C202-C258 HydrophobicContact CB-CB 3.46Å; C202-C258 VanDerWaalsContact CB-CB 3.46Å; C202-C258 WeakPolarHBondContact CB-SG 3.12Å; C202-C258 WeakPolarHBondContact SG-CB 3.31Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 2.91Å
203W98.5Very high96.4Very high54 Ų5446.3 Ų46.321%0.20524%0.243CC..EExtended strand (participates in β ladder)trans-106.3143.1179.8-67.287.5000111.1T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.49Å; H187-W203 AromaticContact CE1-CD1 3.93Å; H187-W203 AromaticContact CE1-CG 3.73Å; H187-W203 PolarHBondContact N-O 2.93Å; H187-W203 AromaticContact NE2-CD1 3.59Å; H187-W203 AromaticContact NE2-CG 3.84Å; H187-W203 PolarHBondContact O-N 3.39Å; T189-W203 PolarHBondContact OG1-NE1 2.86Å; T189-W203 VanDerWaalsContact OG1-NE1 3.13Å; R201-W203 VanDerWaalsContact CD-CZ2 3.48Å; R201-W203 HydrophobicContact CG-CZ2 4.38Å; W203-L205 HydrophobicContact CE3-CD2 3.98Å; W203-W243 HydrophobicContact CD2-CB 4Å; W203-W243 HydrophobicContact CD2-CG 4.41Å; W203-W243 HydrophobicContact CE3-CB 3.92Å; W203-W243 AromaticContact CE3-CD1 3.72Å; W203-W243 HydrophobicContact CE3-CG 4.11Å; W203-W243 HydrophobicContact CG-CB 4.36Å; W203-W243 AromaticContact CH2-CD1 3.73Å; W203-W243 HydrophobicContact CH2-CG 4.38Å; W203-W243 HydrophobicContact CZ3-CB 4.42Å; W203-W243 AromaticContact CZ3-CD1 3.35Å; W203-W243 HydrophobicContact CZ3-CG 4.11Å
204A98.5Very high96.7Very high0 Ų042.3 Ų42.30%022%0.218CC..EExtended strand (participates in β ladder)trans-123.4126.3160.600000108.2P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.81Å; T186-A204 HydrophobicContact CG2-CB 4.31Å; A204-F207 HydrophobicContact CB-CD1 4.04Å; A204-F207 HydrophobicContact CB-CE1 3.75Å; A204-F207 WeakPolarHBondContact O-CE1 2.98Å; A204-I212 HydrophobicContact CB-CD1 3.72Å; A204-L214 HydrophobicContact CB-CD1 4.01Å; A204-L214 HydrophobicContact CB-CD2 4.25Å; A204-Q241 VanDerWaalsContact O-CA 3.32Å; A204-Q241 WeakPolarHBondContact O-CA 3.32Å; A204-K242 PolarHBondContact N-O 3.36Å; A204-K242 PolarHBondContact O-N 3.12Å; A204-K242 VanDerWaalsContact O-O 3.05Å
205L98.3Very high97Very high57 Ų5741.8 Ų41.830%0.29821%0.213SC..EExtended strand (participates in β ladder)trans-133.2143.4-175.3-60.3177.2000111.3K185 W203 Q241K185-L205 WeakPolarHBondContact CB-O 3.46Å; K185-L205 PolarHBondContact N-O 3.17Å; K185-L205 PolarHBondContact O-N 3.39Å; W203-L205 HydrophobicContact CE3-CD2 3.98Å; L205-Q241 HydrophobicContact CD2-CB 3.61Å
206G97.6Very high97.4Very high9 Ų934.7 Ų34.79%0.09318%0.175CC..EExtended strand (participates in β ladder)trans71.737.8168.600000114.1T239 F240G206-T239 WeakPolarHBondContact CA-OG1 3.38Å; G206-F240 PolarHBondContact N-O 3.22Å
207F97.9Very high97.6Very high0 Ų029.4 Ų29.40%015%0.15CC..EExtended strand (participates in β ladder)trans-108.7158.3179.658.6-91.1000113.2E182 P184 A204 P209 I212 T232 T239 F240 K242 H262E182-F207 WeakPolarHBondContact O-CA 3.36Å; E182-F207 VanDerWaalsContact O-CB 3.3Å; E182-F207 WeakPolarHBondContact O-CB 3.49Å; P184-F207 HydrophobicContact CB-CB 3.96Å; P184-F207 HydrophobicContact CB-CD1 3.91Å; P184-F207 HydrophobicContact CB-CG 4.21Å; A204-F207 HydrophobicContact CB-CD1 4.04Å; A204-F207 HydrophobicContact CB-CE1 3.75Å; A204-F207 WeakPolarHBondContact O-CE1 2.98Å; F207-P209 WeakPolarHBondContact CD2-O 3.14Å; F207-I212 HydrophobicContact CD1-CD1 3.88Å; F207-I212 HydrophobicContact CD2-CB 4.36Å; F207-I212 HydrophobicContact CD2-CD1 3.97Å; F207-I212 HydrophobicContact CE1-CD1 3.77Å; F207-I212 HydrophobicContact CE1-CG2 4.49Å; F207-I212 HydrophobicContact CE2-CB 3.83Å; F207-I212 HydrophobicContact CE2-CD1 3.89Å; F207-I212 HydrophobicContact CE2-CG1 4.45Å; F207-I212 HydrophobicContact CE2-CG2 3.59Å; F207-I212 HydrophobicContact CG-CD1 3.99Å; F207-I212 HydrophobicContact CZ-CB 4.21Å; F207-I212 HydrophobicContact CZ-CD1 3.81Å; F207-I212 HydrophobicContact CZ-CG2 3.57Å; F207-T232 HydrophobicContact CE2-CG2 3.98Å; F207-T232 HydrophobicContact CZ-CG2 3.84Å; F207-T239 CarbonylContact O-C 3.5Å; F207-T239 WeakPolarHBondContact O-CA 3.38Å; F207-T239 WeakPolarHBondContact O-CB 3.43Å; F207-F240 WeakPolarHBondContact CD1-O 3.17Å; F207-F240 HydrophobicContact CD2-CB 3.88Å; F207-F240 HydrophobicContact CE1-CB 4.36Å; F207-F240 WeakPolarHBondContact CE1-O 3.39Å; F207-F240 HydrophobicContact CE2-CB 3.47Å; F207-F240 VanDerWaalsContact CE2-CB 3.47Å; F207-F240 HydrophobicContact CG-CB 4.46Å; F207-F240 HydrophobicContact CZ-CB 3.72Å; F207-F240 PolarHBondContact N-O 2.88Å; F207-F240 PolarHBondContact O-N 2.81Å; F207-K242 HydrophobicContact CE1-CB 4.4Å; F207-K242 HydrophobicContact CZ-CB 4.1Å; F207-H262 AromaticContact CD2-CD2 3.93Å; F207-H262 AromaticContact CD2-NE2 3.81Å
208Y97.2Very high97.6Very high4 Ų428.6 Ų28.62%0.01614%0.143CC..BIsolated β-bridgetrans-155.2137.1174.2177.2-83.2000108.7D29 T30 R180 A181 E182 G238 F240 H262D29-Y208 HydrophobicContact CB-CE2 4.01Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.42Å; T30-Y208 PolarHBondContact OG1-OH 2.67Å; R180-Y208 HydrophobicContact CG-CD1 4.26Å; R180-Y208 WeakPolarHBondContact O-CD1 3.42Å; A181-Y208 CarbonylContact C-O 3.59Å; A181-Y208 VanDerWaalsContact CA-O 3.27Å; A181-Y208 WeakPolarHBondContact CA-O 3.22Å; E182-Y208 PolarHBondContact N-O 2.93Å; E182-Y208 PolarHBondContact O-N 2.82Å; E182-Y208 VanDerWaalsContact O-N 3.13Å; Y208-G238 WeakPolarHBondContact CD2-O 3.18Å; Y208-F240 HydrophobicContact CD2-CD2 4.5Å; Y208-F240 HydrophobicContact CD2-CE2 4.13Å; Y208-H262 PolarHBondContact O-CE1 3.38Å
209P96.9Very high97.5Very high18 Ų1833.3 Ų33.312%0.11717%0.168CC..SBendcis-66.6177.4-1.329.2-37.2000113.3D29 F207 E211 H262 E263D29-P209 VanDerWaalsContact OD2-CB 3.22Å; D29-P209 WeakPolarHBondContact OD2-CB 3.35Å; F207-P209 WeakPolarHBondContact CD2-O 3.14Å; P209-E211 VanDerWaalsContact C-N 3.34Å; P209-H262 PolarHBondContact O-NE2 2.78Å; P209-E263 HydrophobicContact CG-CG 3.8Å
210A97.3Very high97.1Very high14 Ų1434.4 Ų34.412%0.11618%0.184CC..SBendtrans-73.7-20.8-176.200000114.2D29 I212 T232 F240D29-A210 HydrophobicContact CB-CB 4.37Å; D29-A210 VanDerWaalsContact CG-CB 3.49Å; D29-A210 WeakPolarHBondContact OD1-CB 3.36Å; D29-A210 WeakPolarHBondContact OD2-CB 3.48Å; D29-A210 PolarHBondContact OD2-N 3Å; A210-I212 PolarHBondContact O-N 3.32Å; A210-T232 HydrophobicContact CB-CG2 4.33Å; A210-F240 HydrophobicContact CB-CD1 3.76Å; A210-F240 HydrophobicContact CB-CD2 3.71Å; A210-F240 HydrophobicContact CB-CE1 3.82Å; A210-F240 HydrophobicContact CB-CE2 3.78Å; A210-F240 HydrophobicContact CB-CG 3.72Å; A210-F240 HydrophobicContact CB-CZ 3.84Å
211E97.3Very high97Very high145 Ų14540.8 Ų40.868%0.67821%0.214SC*.  trans-66.3114.9179-172.855.6-142.100110.5P209 H262P209-E211 VanDerWaalsContact C-N 3.34Å; E211-H262 PolarHBondContact O-CD2 2.71Å; E211-H262 VanDerWaalsContact O-CD2 3.26Å
212I98Very high96.8Very high11 Ų1143.2 Ų43.26%0.05623%0.23CC..  trans-153.4136.1-176.1-163172000110.5P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 4.01Å; P184-I212 HydrophobicContact CG-CD1 4.12Å; A204-I212 HydrophobicContact CB-CD1 3.72Å; F207-I212 HydrophobicContact CD1-CD1 3.88Å; F207-I212 HydrophobicContact CD2-CB 4.36Å; F207-I212 HydrophobicContact CD2-CD1 3.97Å; F207-I212 HydrophobicContact CE1-CD1 3.77Å; F207-I212 HydrophobicContact CE1-CG2 4.49Å; F207-I212 HydrophobicContact CE2-CB 3.83Å; F207-I212 HydrophobicContact CE2-CD1 3.89Å; F207-I212 HydrophobicContact CE2-CG1 4.45Å; F207-I212 HydrophobicContact CE2-CG2 3.59Å; F207-I212 HydrophobicContact CG-CD1 3.99Å; F207-I212 HydrophobicContact CZ-CB 4.21Å; F207-I212 HydrophobicContact CZ-CD1 3.81Å; F207-I212 HydrophobicContact CZ-CG2 3.57Å; A210-I212 PolarHBondContact O-N 3.32Å; I212-L214 HydrophobicContact CD1-CD1 3.75Å; I212-L214 HydrophobicContact CG1-CD1 3.73Å; I212-L214 HydrophobicContact CG2-CD1 4.24Å; I212-K242 HydrophobicContact CG2-CB 4.28Å; I212-K242 HydrophobicContact CG2-CD 3.56Å; I212-V260 HydrophobicContact CD1-CG1 4.05Å; I212-V260 HydrophobicContact CG1-CG1 4.36Å; I212-Q261 VanDerWaalsContact CG1-O 3.32Å; I212-Q261 WeakPolarHBondContact CG1-O 3.49Å; I212-H262 HydrophobicContact CD1-CB 4.31Å; I212-H262 HydrophobicContact CG1-CB 4.08Å
213T97.9Very high96.6Very high60 Ų6044.9 Ų44.937%0.36824%0.238SC..EExtended strand (participates in β ladder)trans-107124.4173.3-61.80000109.9T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 4.07Å; T213-V260 WeakPolarHBondContact O-CA 3.46Å; T213-Q261 PolarHBondContact N-O 2.98Å; T213-Q261 PolarHBondContact O-N 2.92Å
214L98Very high96Very high6 Ų647.4 Ų47.43%0.03126%0.259CS..EExtended strand (participates in β ladder)trans-118122.3169.9-88.861.9000107.5A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 4.01Å; A204-L214 HydrophobicContact CB-CD2 4.25Å; I212-L214 HydrophobicContact CD1-CD1 3.75Å; I212-L214 HydrophobicContact CG1-CD1 3.73Å; I212-L214 HydrophobicContact CG2-CD1 4.24Å; L214-L229 HydrophobicContact CB-CD1 4.14Å; L214-K242 HydrophobicContact CD1-CD 4.32Å; L214-K242 HydrophobicContact CD2-CB 4.38Å; L214-K242 HydrophobicContact CD2-CG 4.44Å; L214-A244 HydrophobicContact CB-CB 4.01Å; L214-A244 HydrophobicContact CD2-CB 4.25Å; L214-H259 WeakPolarHBondContact CA-O 3.36Å; L214-V260 HydrophobicContact CD1-CG1 4.01Å; L214-V260 HydrophobicContact CD1-CG2 4.42Å; L214-V260 HydrophobicContact CG-CG2 4.27Å
215T97.6Very high95.5Very high39 Ų3956.5 Ų56.524%0.23930%0.302CS..EExtended strand (participates in β ladder)trans-128.3154.6171.458.90000111.2T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 4.07Å; T215-C258 CarbonylContact O-C 3.51Å; T215-C258 WeakPolarHBondContact O-CA 3.49Å; T215-H259 PolarHBondContact N-O 3.1Å; T215-H259 PolarHBondContact O-N 3.32Å
216W98.1Very high95Very high1 Ų159.6 Ų59.60%0.00432%0.319CS..EExtended strand (participates in β ladder)trans-107.4139.8167.2-82.5104.6000109.9V188 L200 C202 Q223 A244 V246 T257 C258V188-W216 HydrophobicContact CG1-CH2 3.83Å; V188-W216 HydrophobicContact CG1-CZ2 4.25Å; V188-W216 HydrophobicContact CG2-CH2 4.15Å; L200-W216 HydrophobicContact CB-CH2 3.69Å; L200-W216 HydrophobicContact CB-CZ2 3.74Å; L200-W216 HydrophobicContact CD1-CH2 3.91Å; L200-W216 HydrophobicContact CD1-CZ3 4.1Å; L200-W216 HydrophobicContact CG-CH2 4.45Å; C202-W216 HydrophobicContact CB-CH2 4.43Å; C202-W216 HydrophobicContact CB-CZ2 3.6Å; W216-Q223 HydrophobicContact CB-CB 4.32Å; W216-Q223 PolarHBondContact O-N 3Å; W216-A244 PolarHBondContact NE1-O 2.95Å; W216-V246 HydrophobicContact CB-CG1 3.78Å; W216-V246 HydrophobicContact CB-CG2 4.43Å; W216-V246 HydrophobicContact CD2-CG1 4.48Å; W216-V246 HydrophobicContact CD2-CG2 3.68Å; W216-V246 HydrophobicContact CE3-CG2 4.12Å; W216-V246 HydrophobicContact CG-CB 4.45Å; W216-V246 HydrophobicContact CG-CG1 3.74Å; W216-V246 HydrophobicContact CG-CG2 3.83Å; W216-V246 HydrophobicContact CZ2-CG2 4.33Å; W216-T257 CarbonylContact C-O 3.56Å; W216-T257 WeakPolarHBondContact CA-O 3.15Å; W216-C258 HydrophobicContact CD2-CB 4.07Å; W216-C258 HydrophobicContact CE3-CB 4.01Å; W216-C258 HydrophobicContact CH2-CB 3.99Å; W216-C258 HydrophobicContact CZ2-CB 4.06Å; W216-C258 HydrophobicContact CZ3-CB 3.96Å
217Q97.6Very high94.8Very high36 Ų3660.3 Ų60.317%0.16832%0.322CS..EExtended strand (participates in β ladder)trans-126.6142.1173.7-72.4-177-900111E221 D222 Y256 T257 H259Q217-E221 VanDerWaalsContact CA-O 3.25Å; Q217-E221 WeakPolarHBondContact CA-O 3.34Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.5Å; Q217-D222 PolarHBondContact NE2-OD1 2.76Å; Q217-Y256 CarbonylContact O-C 3.56Å; Q217-Y256 VanDerWaalsContact O-CA 3.31Å; Q217-Y256 WeakPolarHBondContact O-CA 3.27Å; Q217-T257 PolarHBondContact N-O 2.97Å; Q217-T257 PolarHBondContact O-N 3.06Å; Q217-T257 PolarHBondContact O-OG1 2.82Å; Q217-H259 VanDerWaalsContact CB-NE2 3.31Å; Q217-H259 WeakPolarHBondContact CB-NE2 3.35Å; Q217-H259 PolarHBondContact OE1-NE2 3.4Å
218W95.6Very high94.7Very high76 Ų7665.5 Ų65.529%0.28835%0.346SS..EExtended strand (participates in β ladder)trans-112.1115171.7175.583000108.3G220 E221 Q223 E252 R255 Y256W218-G220 PolarHBondContact O-N 2.93Å; W218-E221 PolarHBondContact N-O 2.96Å; W218-E221 PolarHBondContact O-N 2.81Å; W218-Q223 HydrophobicContact CB-CG 3.97Å; W218-E252 PolarHBondContact NE1-OE2 3.33Å; W218-E252 VanDerWaalsContact NE1-OE2 3.1Å; W218-R255 VanDerWaalsContact CE2-CZ 3.41Å; W218-R255 VanDerWaalsContact CZ2-CZ 3.41Å; W218-Y256 HydrophobicContact CB-CD1 4.14Å; W218-Y256 HydrophobicContact CB-CE1 3.91Å; W218-Y256 AromaticContact CD1-CD2 3.97Å; W218-Y256 AromaticContact CD1-CE1 3.84Å; W218-Y256 AromaticContact CD1-CE2 3.46Å; W218-Y256 VanDerWaalsContact CD1-CE2 3.46Å; W218-Y256 AromaticContact CD1-CZ 3.39Å; W218-Y256 HydrophobicContact CG-CE1 4.19Å
219D93.1Very high94.7Very high103 Ų10369.6 Ų69.655%0.55137%0.367SS*.THydrogen-bonded Turntrans4918.1-171.6-68.4-18.4000116R255D219-R255 PolarHBondContact N-O 3.29Å; D219-R255 VanDerWaalsContact N-O 3.09Å; D219-R255 WeakPolarHBondContact OD1-CB 3.29Å; D219-R255 IonicContact OD1-NE 2.68Å; D219-R255 IonicContact OD2-CZ 3.16Å; D219-R255 IonicContact OD2-NE 2.76Å; D219-R255 PolarHBondContact OD2-NE 2.88Å; D219-R255 IonicContact OD2-NH2 2.68Å; D219-R255 PolarHBondContact OD2-NH2 2.98Å
220G90.3Very high94.7Very high46 Ų4670.4 Ų70.447%0.47437%0.372SS..THydrogen-bonded Turntrans111.8-6.5179.900000115.4W218W218-G220 PolarHBondContact O-N 2.93Å
221E94.3Very high94.7Very high134 Ų13477.9 Ų77.963%0.62640%0.404SS*.EExtended strand (participates in β ladder)trans-95.2127.2178.3-61.6-169.8162.200111.7Q217 W218 Q223Q217-E221 VanDerWaalsContact CA-O 3.25Å; Q217-E221 WeakPolarHBondContact CA-O 3.34Å; W218-E221 PolarHBondContact N-O 2.96Å; W218-E221 PolarHBondContact O-N 2.81Å; E221-Q223 PolarHBondContact O-N 3.35Å; E221-Q223 PolarHBondContact O-NE2 2.88Å
222D94.4Very high94.7Very high94 Ų9473.1 Ų73.150%0.50339%0.385SS..EExtended strand (participates in β ladder)trans-65.6124.7-176.8-72.1-43.7000113Q217 T224Q217-D222 WeakPolarHBondContact CG-OD1 3.5Å; Q217-D222 PolarHBondContact NE2-OD1 2.76Å; D222-T224 VanDerWaalsContact C-N 3.32Å; D222-T224 PolarHBondContact O-N 3.23Å
223Q93.6Very high94.7Very high35 Ų3577.4 Ų77.416%0.16440%0.401CS..  trans-93.940.6-174.9-56.5-60.8-72.300112.4W216 W218 E221 Q225 D226 T227 V246 Y256W216-Q223 HydrophobicContact CB-CB 4.32Å; W216-Q223 PolarHBondContact O-N 3Å; W218-Q223 HydrophobicContact CB-CG 3.97Å; E221-Q223 PolarHBondContact O-N 3.35Å; E221-Q223 PolarHBondContact O-NE2 2.88Å; Q223-Q225 VanDerWaalsContact C-N 3.31Å; Q223-Q225 PolarHBondContact O-N 2.87Å; Q223-D226 PolarHBondContact O-N 2.88Å; Q223-T227 WeakPolarHBondContact O-CB 3.41Å; Q223-T227 PolarHBondContact O-N 3.35Å; Q223-T227 VanDerWaalsContact O-N 3.17Å; Q223-T227 PolarHBondContact O-OG1 2.89Å; Q223-V246 HydrophobicContact CB-CG1 4.48Å; Q223-Y256 HydrophobicContact CG-CE1 4.36Å
224T87.5Confident94.6Very high107 Ų10778.7 Ų78.766%0.65641%0.41SS*.THydrogen-bonded Turntrans-64.5-28.7-165.6-42.80000114.5D222D222-T224 VanDerWaalsContact C-N 3.32Å; D222-T224 PolarHBondContact O-N 3.23Å
225Q87.7Confident94.6Very high192 Ų19280.9 Ų80.990%0.89743%0.429SS*.THydrogen-bonded Turntrans-80.1-33.5-179-61.9-17333.100112.4Q223Q223-Q225 VanDerWaalsContact C-N 3.31Å; Q223-Q225 PolarHBondContact O-N 2.87Å
226D86.3Confident94.4Very high122 Ų12282.6 Ų82.665%0.65245%0.454SS*.THydrogen-bonded Turntrans-94.63.4-177-50.6-83.8000112.8Q223Q223-D226 PolarHBondContact O-N 2.88Å
227T94Very high94.1Very high24 Ų2488 Ų8815%0.14748%0.483CS..EExtended strand (participates in β ladder)trans-92116.8177.2-62.80000112Q223 L229 A244 A245 V246Q223-T227 WeakPolarHBondContact O-CB 3.41Å; Q223-T227 PolarHBondContact O-N 3.35Å; Q223-T227 VanDerWaalsContact O-N 3.17Å; Q223-T227 PolarHBondContact O-OG1 2.89Å; T227-L229 HydrophobicContact CG2-CB 4.27Å; T227-L229 PolarHBondContact O-N 2.94Å; T227-L229 VanDerWaalsContact O-N 3.11Å; T227-A244 HydrophobicContact CG2-CB 3.89Å; T227-A245 CarbonylContact C-O 3.57Å; T227-A245 WeakPolarHBondContact CA-O 3.19Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.27Å
228E96.4Very high93.8Very high108 Ų10888.1 Ų88.151%0.50550%0.495SS..EExtended strand (participates in β ladder)trans-7296.6162.5-174.5-171.4-156.800109.4R201 W243 A244 A245R201-E228 IonicContact NH2-OE2 2.67Å; R201-E228 PolarHBondContact NH2-OE2 2.92Å; E228-W243 HydrophobicContact CB-CZ3 4.3Å; E228-W243 HydrophobicContact CG-CH2 3.99Å; E228-W243 HydrophobicContact CG-CZ3 3.8Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.43Å; E228-W243 WeakPolarHBondContact OE2-CZ3 3.43Å; E228-A244 CarbonylContact O-C 3.6Å; E228-A244 WeakPolarHBondContact O-CA 3.41Å; E228-A245 HydrophobicContact CB-CB 4.35Å; E228-A245 PolarHBondContact N-O 2.6Å; E228-A245 PolarHBondContact O-N 3.46Å
229L96.8Very high93.9Very high91 Ų9184.9 Ų84.948%0.47648%0.483SS..EExtended strand (participates in β ladder)trans-103.9118.6177.5-175.168.7000110.7L214 T227 K242 A244L214-L229 HydrophobicContact CB-CD1 4.14Å; T227-L229 HydrophobicContact CG2-CB 4.27Å; T227-L229 PolarHBondContact O-N 2.94Å; T227-L229 VanDerWaalsContact O-N 3.11Å; L229-K242 HydrophobicContact CD1-CD 4.49Å; L229-A244 HydrophobicContact CD1-CB 3.71Å
230V96.8Very high94.1Very high34 Ų3481.3 Ų81.321%0.20646%0.463CS..PPolyproline II helixtrans-84.1153.6175.8-63.40000112.8K242 W243V230-K242 HydrophobicContact CG2-CG 4.46Å; V230-K242 WeakPolarHBondContact O-CE 3.27Å; V230-K242 WeakPolarHBondContact O-CG 3.29Å; V230-K242 PolarHBondContact O-NZ 3.04Å; V230-W243 HydrophobicContact CG1-CD2 4.03Å; V230-W243 HydrophobicContact CG1-CE3 4.28Å; V230-W243 HydrophobicContact CG1-CH2 3.72Å; V230-W243 HydrophobicContact CG1-CZ2 3.41Å; V230-W243 VanDerWaalsContact CG1-CZ2 3.41Å; V230-W243 HydrophobicContact CG1-CZ3 4.13Å; V230-W243 HydrophobicContact CG2-CD2 3.84Å; V230-W243 HydrophobicContact CG2-CG 3.8Å; V230-W243 WeakPolarHBondContact CG2-O 3.37Å; V230-W243 PolarHBondContact N-O 2.82Å
231E96.8Very high94.5Very high171 Ų17181.1 Ų81.180%0.79945%0.45SS*.PPolyproline II helixtrans-54.7147.8166.5-66.5-174.5162.400111.4R233E231-R233 PolarHBondContact O-N 3.07Å
232T97.9Very high94.7Very high45 Ų4575.8 Ų75.828%0.27642%0.424SS..PPolyproline II helixtrans-72125.4175.4-54.80000108.7F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 3.98Å; F207-T232 HydrophobicContact CZ-CG2 3.84Å; A210-T232 HydrophobicContact CB-CG2 4.33Å; T232-F240 HydrophobicContact CG2-CB 3.9Å; T232-F240 HydrophobicContact CG2-CD1 4.07Å; T232-F240 HydrophobicContact CG2-CG 4.28Å; T232-K242 WeakPolarHBondContact OG1-CD 3.26Å; T232-K242 PolarHBondContact OG1-NZ 2.87Å
233R97.3Very high94.9Very high101 Ų10172.6 Ų72.638%0.38141%0.405SS..EExtended strand (participates in β ladder)trans-121.5146.9-17471-164.2-175.6-1713111.1E231 F240 Q241E231-R233 PolarHBondContact O-N 3.07Å; R233-F240 WeakPolarHBondContact O-CA 3.4Å; R233-Q241 HydrophobicContact CG-CG 3.67Å; R233-Q241 PolarHBondContact N-O 2.91Å; R233-Q241 VanDerWaalsContact NE-CD 3.26Å; R233-Q241 VanDerWaalsContact O-CG 3.27Å; R233-Q241 WeakPolarHBondContact O-CG 3.46Å; R233-Q241 PolarHBondContact O-N 2.95Å
234P97.2Very high95.1Very high88 Ų8870.9 Ų70.957%0.57140%0.397SS*.EExtended strand (participates in β ladder)trans-67.1153.2177.227.7-34.7000111.7F240 Q241P234-F240 HydrophobicContact CB-CD1 4.4Å; P234-F240 HydrophobicContact CB-CE1 4.17Å; P234-Q241 PolarHBondContact O-NE2 3.14Å; P234-Q241 VanDerWaalsContact O-NE2 3.08Å
235A96.5Very high95.6Very high51 Ų5165.9 Ų65.942%0.42137%0.367SS..  trans-91.3-22.3168.800000112.6D237 T239 Q241A235-D237 WeakPolarHBondContact CB-OD1 3.43Å; A235-T239 WeakPolarHBondContact CB-O 3.34Å; A235-T239 PolarHBondContact N-O 2.87Å; A235-Q241 HydrophobicContact CB-CG 4.45Å
236G93.3Very high96.1Very high75 Ų7557 Ų5777%0.77333%0.325SS*.SBendtrans99.7-9.117800000115
237D92.6Very high96.6Very high114 Ų11455 Ų5561%0.6132%0.317SS*.SBendtrans-96.64.3174.157.96.3000113.5A235 T239A235-D237 WeakPolarHBondContact CB-OD1 3.43Å; D237-T239 WeakPolarHBondContact OD1-CB 3.35Å; D237-T239 PolarHBondContact OD1-N 2.79Å; D237-T239 PolarHBondContact OD1-OG1 2.74Å; D237-T239 PolarHBondContact OD2-OG1 3.38Å
238G91.8Very high96.7Very high40 Ų4053.9 Ų53.941%0.41231%0.311SS..SBendtrans96.1-2.8-172.200000114.3Y208Y208-G238 WeakPolarHBondContact CD2-O 3.18Å
239T96.8Very high96.6Very high7 Ų751.2 Ų51.24%0.04330%0.303CS..  trans-103.3173.3173.274.70000112.4G206 F207 A235 D237G206-T239 WeakPolarHBondContact CA-OG1 3.38Å; F207-T239 CarbonylContact O-C 3.5Å; F207-T239 WeakPolarHBondContact O-CA 3.38Å; F207-T239 WeakPolarHBondContact O-CB 3.43Å; A235-T239 WeakPolarHBondContact CB-O 3.34Å; A235-T239 PolarHBondContact N-O 2.87Å; D237-T239 WeakPolarHBondContact OD1-CB 3.35Å; D237-T239 PolarHBondContact OD1-N 2.79Å; D237-T239 PolarHBondContact OD1-OG1 2.74Å; D237-T239 PolarHBondContact OD2-OG1 3.38Å
240F98.3Very high96.4Very high29 Ų2949.7 Ų49.713%0.12730%0.3CS..EExtended strand (participates in β ladder)trans-121.9164.5-176.3-66.5-86.1000112.6D29 G206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.7Å; D29-F240 HydrophobicContact CB-CZ 3.76Å; G206-F240 PolarHBondContact N-O 3.22Å; F207-F240 WeakPolarHBondContact CD1-O 3.17Å; F207-F240 HydrophobicContact CD2-CB 3.88Å; F207-F240 HydrophobicContact CE1-CB 4.36Å; F207-F240 WeakPolarHBondContact CE1-O 3.39Å; F207-F240 HydrophobicContact CE2-CB 3.47Å; F207-F240 VanDerWaalsContact CE2-CB 3.47Å; F207-F240 HydrophobicContact CG-CB 4.46Å; F207-F240 HydrophobicContact CZ-CB 3.72Å; F207-F240 PolarHBondContact N-O 2.88Å; F207-F240 PolarHBondContact O-N 2.81Å; Y208-F240 HydrophobicContact CD2-CD2 4.5Å; Y208-F240 HydrophobicContact CD2-CE2 4.13Å; A210-F240 HydrophobicContact CB-CD1 3.76Å; A210-F240 HydrophobicContact CB-CD2 3.71Å; A210-F240 HydrophobicContact CB-CE1 3.82Å; A210-F240 HydrophobicContact CB-CE2 3.78Å; A210-F240 HydrophobicContact CB-CG 3.72Å; A210-F240 HydrophobicContact CB-CZ 3.84Å; T232-F240 HydrophobicContact CG2-CB 3.9Å; T232-F240 HydrophobicContact CG2-CD1 4.07Å; T232-F240 HydrophobicContact CG2-CG 4.28Å; R233-F240 WeakPolarHBondContact O-CA 3.4Å; P234-F240 HydrophobicContact CB-CD1 4.4Å; P234-F240 HydrophobicContact CB-CE1 4.17Å
241Q98.3Very high96.1Very high42 Ų4251.1 Ų51.120%0.19632%0.322CS..EExtended strand (participates in β ladder)trans-144.8143.8178.637.8161.4-23.700110A204 L205 R233 P234 A235A204-Q241 VanDerWaalsContact O-CA 3.32Å; A204-Q241 WeakPolarHBondContact O-CA 3.32Å; L205-Q241 HydrophobicContact CD2-CB 3.61Å; R233-Q241 HydrophobicContact CG-CG 3.67Å; R233-Q241 PolarHBondContact N-O 2.91Å; R233-Q241 VanDerWaalsContact NE-CD 3.26Å; R233-Q241 VanDerWaalsContact O-CG 3.27Å; R233-Q241 WeakPolarHBondContact O-CG 3.46Å; R233-Q241 PolarHBondContact O-N 2.95Å; P234-Q241 PolarHBondContact O-NE2 3.14Å; P234-Q241 VanDerWaalsContact O-NE2 3.08Å; A235-Q241 HydrophobicContact CB-CG 4.45Å
242K98.6Very high96Very high22 Ų2245.9 Ų45.910%0.09630%0.297CS..EExtended strand (participates in β ladder)trans-149.8158.4177.5-160.8-175.8-170.165.30109.1A204 F207 I212 L214 L229 V230 T232A204-K242 PolarHBondContact N-O 3.36Å; A204-K242 PolarHBondContact O-N 3.12Å; A204-K242 VanDerWaalsContact O-O 3.05Å; F207-K242 HydrophobicContact CE1-CB 4.4Å; F207-K242 HydrophobicContact CZ-CB 4.1Å; I212-K242 HydrophobicContact CG2-CB 4.28Å; I212-K242 HydrophobicContact CG2-CD 3.56Å; L214-K242 HydrophobicContact CD1-CD 4.32Å; L214-K242 HydrophobicContact CD2-CB 4.38Å; L214-K242 HydrophobicContact CD2-CG 4.44Å; L229-K242 HydrophobicContact CD1-CD 4.49Å; V230-K242 HydrophobicContact CG2-CG 4.46Å; V230-K242 WeakPolarHBondContact O-CE 3.27Å; V230-K242 WeakPolarHBondContact O-CG 3.29Å; V230-K242 PolarHBondContact O-NZ 3.04Å; T232-K242 WeakPolarHBondContact OG1-CD 3.26Å; T232-K242 PolarHBondContact OG1-NZ 2.87Å
243W98.3Very high95.8Very high26 Ų2644.8 Ų44.810%0.09829%0.289CS..EExtended strand (participates in β ladder)trans-146.7158.5167.156.5-96.7000111.7R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 3.99Å; R201-W243 HydrophobicContact CG-CD2 4.01Å; R201-W243 HydrophobicContact CG-CE3 3.78Å; R201-W243 HydrophobicContact CG-CG 4.15Å; R201-W243 VanDerWaalsContact NE-CE3 3.26Å; R201-W243 VanDerWaalsContact NE-CZ3 3.26Å; C202-W243 CarbonylContact O-C 3.57Å; C202-W243 WeakPolarHBondContact O-CA 3.29Å; C202-W243 WeakPolarHBondContact O-CB 3.32Å; W203-W243 HydrophobicContact CD2-CB 4Å; W203-W243 HydrophobicContact CD2-CG 4.41Å; W203-W243 HydrophobicContact CE3-CB 3.92Å; W203-W243 AromaticContact CE3-CD1 3.72Å; W203-W243 HydrophobicContact CE3-CG 4.11Å; W203-W243 HydrophobicContact CG-CB 4.36Å; W203-W243 AromaticContact CH2-CD1 3.73Å; W203-W243 HydrophobicContact CH2-CG 4.38Å; W203-W243 HydrophobicContact CZ3-CB 4.42Å; W203-W243 AromaticContact CZ3-CD1 3.35Å; W203-W243 HydrophobicContact CZ3-CG 4.11Å; E228-W243 HydrophobicContact CB-CZ3 4.3Å; E228-W243 HydrophobicContact CG-CH2 3.99Å; E228-W243 HydrophobicContact CG-CZ3 3.8Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.43Å; E228-W243 WeakPolarHBondContact OE2-CZ3 3.43Å; V230-W243 HydrophobicContact CG1-CD2 4.03Å; V230-W243 HydrophobicContact CG1-CE3 4.28Å; V230-W243 HydrophobicContact CG1-CH2 3.72Å; V230-W243 HydrophobicContact CG1-CZ2 3.41Å; V230-W243 VanDerWaalsContact CG1-CZ2 3.41Å; V230-W243 HydrophobicContact CG1-CZ3 4.13Å; V230-W243 HydrophobicContact CG2-CD2 3.84Å; V230-W243 HydrophobicContact CG2-CG 3.8Å; V230-W243 WeakPolarHBondContact CG2-O 3.37Å; V230-W243 PolarHBondContact N-O 2.82Å; W243-A245 HydrophobicContact CE3-CB 3.95Å; W243-A245 HydrophobicContact CZ3-CB 3.7Å
244A98.3Very high95.7Very high0 Ų044.1 Ų44.10%029%0.29CS..EExtended strand (participates in β ladder)trans-129.7131.1174.100000108.2C202 L214 W216 T227 E228 L229C202-A244 PolarHBondContact N-O 3.2Å; C202-A244 PolarHBondContact O-N 3.28Å; L214-A244 HydrophobicContact CB-CB 4.01Å; L214-A244 HydrophobicContact CD2-CB 4.25Å; W216-A244 PolarHBondContact NE1-O 2.95Å; T227-A244 HydrophobicContact CG2-CB 3.89Å; E228-A244 CarbonylContact O-C 3.6Å; E228-A244 WeakPolarHBondContact O-CA 3.41Å; L229-A244 HydrophobicContact CD1-CB 3.71Å
245A97.9Very high95.6Very high2 Ų243.7 Ų43.72%0.01728%0.277CS..EExtended strand (participates in β ladder)trans-126146.617900000112.6T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.87Å; L200-A245 CarbonylContact O-C 3.5Å; L200-A245 WeakPolarHBondContact O-CA 3.45Å; L200-A245 WeakPolarHBondContact O-CB 3.08Å; R201-A245 HydrophobicContact CB-CB 3.95Å; R201-A245 HydrophobicContact CG-CB 4.09Å; T227-A245 CarbonylContact C-O 3.57Å; T227-A245 WeakPolarHBondContact CA-O 3.19Å; E228-A245 HydrophobicContact CB-CB 4.35Å; E228-A245 PolarHBondContact N-O 2.6Å; E228-A245 PolarHBondContact O-N 3.46Å; W243-A245 HydrophobicContact CE3-CB 3.95Å; W243-A245 HydrophobicContact CZ3-CB 3.7Å
246V97.5Very high95.6Very high4 Ų442.2 Ų42.22%0.02426%0.26CS..EExtended strand (participates in β ladder)trans-131.4146174.1-74.80000109.4T199 L200 W216 Q223 T227 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.46Å; L200-V246 HydrophobicContact CB-CG2 4.22Å; L200-V246 PolarHBondContact N-O 3.02Å; L200-V246 PolarHBondContact O-N 3.21Å; W216-V246 HydrophobicContact CB-CG1 3.78Å; W216-V246 HydrophobicContact CB-CG2 4.43Å; W216-V246 HydrophobicContact CD2-CG1 4.48Å; W216-V246 HydrophobicContact CD2-CG2 3.68Å; W216-V246 HydrophobicContact CE3-CG2 4.12Å; W216-V246 HydrophobicContact CG-CB 4.45Å; W216-V246 HydrophobicContact CG-CG1 3.74Å; W216-V246 HydrophobicContact CG-CG2 3.83Å; W216-V246 HydrophobicContact CZ2-CG2 4.33Å; Q223-V246 HydrophobicContact CB-CG1 4.48Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.27Å; V246-V248 HydrophobicContact CB-CG1 4.37Å; V246-V248 HydrophobicContact CG2-CG1 3.75Å; V246-Y256 HydrophobicContact CG2-CD1 4.13Å
247V96.8Very high95.8Very high80 Ų8039.1 Ų39.149%0.48523%0.227SC..EExtended strand (participates in β ladder)trans-85132.1165.8-1770000107.7E197 A198E197-V247 HydrophobicContact CB-CG1 4.08Å; E197-V247 HydrophobicContact CG-CG1 4.29Å; A198-V247 WeakPolarHBondContact O-CA 3.45Å
248V95.9Very high96.1Very high1 Ų133.7 Ų33.71%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-131.2146.3-175.4-51.40000110.5E197 A198 L200 V246 E253 Y256E197-V248 WeakPolarHBondContact CA-O 3.47Å; A198-V248 HydrophobicContact CB-CG2 4.48Å; A198-V248 PolarHBondContact N-O 3.43Å; A198-V248 PolarHBondContact O-N 2.8Å; L200-V248 HydrophobicContact CD1-CG1 4.05Å; L200-V248 HydrophobicContact CD1-CG2 4.18Å; L200-V248 HydrophobicContact CG-CG1 4.13Å; L200-V248 HydrophobicContact CG-CG2 3.89Å; V246-V248 HydrophobicContact CB-CG1 4.37Å; V246-V248 HydrophobicContact CG2-CG1 3.75Å; V248-E253 HydrophobicContact CG2-CG 3.92Å; V248-Y256 HydrophobicContact CB-CD2 3.87Å; V248-Y256 HydrophobicContact CB-CE2 3.55Å; V248-Y256 HydrophobicContact CG1-CD1 3.84Å; V248-Y256 HydrophobicContact CG1-CD2 3.51Å; V248-Y256 HydrophobicContact CG1-CE1 3.79Å; V248-Y256 HydrophobicContact CG1-CE2 3.46Å; V248-Y256 VanDerWaalsContact CG1-CE2 3.46Å; V248-Y256 HydrophobicContact CG1-CG 3.7Å
249P95.5Very high96.4Very high53 Ų5334.1 Ų34.134%0.34419%0.189SC..EExtended strand (participates in β ladder)trans-64141.3171.8-20.232.4000112.2H196 G251 E252H196-P249 WeakPolarHBondContact O-CA 3.43Å; P249-G251 PolarHBondContact O-N 3.3Å; P249-E252 HydrophobicContact CB-CB 4.28Å; P249-E252 HydrophobicContact CB-CG 4.17Å; P249-E252 HydrophobicContact CG-CB 4.49Å; P249-E252 HydrophobicContact CG-CG 4.46Å; P249-E252 PolarHBondContact O-N 2.68Å
250S91.8Very high96.5Very high59 Ų5933.8 Ų33.841%0.41319%0.187SC..THydrogen-bonded Turntrans-54.6121.2173.6-64.80000111.3D195 H196 E197D195-S250 PolarHBondContact O-OG 3.08Å; H196-S250 WeakPolarHBondContact CA-OG 3.3Å; H196-S250 PolarHBondContact O-N 2.85Å; H196-S250 PolarHBondContact O-OG 2.88Å; E197-S250 PolarHBondContact N-OG 3.48Å
251G90.9Very high96.5Very high64 Ų6437.4 Ų37.466%0.6620%0.204SC*.THydrogen-bonded Turntrans91.7-5.8-177.800000115.6P249 E253P249-G251 PolarHBondContact O-N 3.3Å; G251-E253 VanDerWaalsContact C-OE2 3.22Å; G251-E253 WeakPolarHBondContact CA-OE2 3.35Å; G251-E253 VanDerWaalsContact N-CD 3.28Å; G251-E253 PolarHBondContact N-OE1 2.95Å; G251-E253 PolarHBondContact N-OE2 3Å
252E94.4Very high96.5Very high61 Ų6136.1 Ų36.129%0.28520%0.198SC..  trans-96.40.4174.3-72.2-153.5-15300113.8W218 P249 Q254 R255 Y256W218-E252 PolarHBondContact NE1-OE2 3.33Å; W218-E252 VanDerWaalsContact NE1-OE2 3.1Å; P249-E252 HydrophobicContact CB-CB 4.28Å; P249-E252 HydrophobicContact CB-CG 4.17Å; P249-E252 HydrophobicContact CG-CB 4.49Å; P249-E252 HydrophobicContact CG-CG 4.46Å; P249-E252 PolarHBondContact O-N 2.68Å; E252-Q254 PolarHBondContact O-N 3.43Å; E252-R255 WeakPolarHBondContact O-CB 3.2Å; E252-R255 PolarHBondContact O-N 2.88Å; E252-R255 IonicContact OE1-NH1 3.36Å; E252-R255 WeakPolarHBondContact OE2-CD 3.28Å; E252-R255 IonicContact OE2-CZ 3.17Å; E252-R255 IonicContact OE2-NE 2.82Å; E252-R255 IonicContact OE2-NH1 3.76Å; E252-R255 PolarHBondContact OE2-NH1 2.9Å; E252-Y256 HydrophobicContact CB-CE2 4.3Å; E252-Y256 WeakPolarHBondContact O-CD2 3.34Å
253E94.4Very high96.3Very high22 Ų2241.5 Ų41.510%0.10322%0.223CC..THydrogen-bonded Turntrans-58.5-26.2-168.4-50.684.1178.800113.5L200 V248 G251 Y256 W273L200-E253 HydrophobicContact CD1-CB 4.14Å; L200-E253 HydrophobicContact CD2-CB 4.42Å; L200-E253 HydrophobicContact CD2-CG 4.44Å; V248-E253 HydrophobicContact CG2-CG 3.92Å; G251-E253 VanDerWaalsContact C-OE2 3.22Å; G251-E253 WeakPolarHBondContact CA-OE2 3.35Å; G251-E253 VanDerWaalsContact N-CD 3.28Å; G251-E253 PolarHBondContact N-OE1 2.95Å; G251-E253 PolarHBondContact N-OE2 3Å; E253-Y256 PolarHBondContact O-N 3.48Å; E253-W273 HydrophobicContact CB-CE3 3.48Å; E253-W273 VanDerWaalsContact CB-CE3 3.48Å; E253-W273 HydrophobicContact CB-CZ3 3.91Å; E253-W273 HydrophobicContact CG-CE3 3.79Å; E253-W273 HydrophobicContact CG-CZ3 3.8Å
254Q94.4Very high96.1Very high86 Ų8640.9 Ų40.940%0.40223%0.226SC..THydrogen-bonded Turntrans-78.5-14.3179.2-62.4-57.9-46.900114.4E252 R272 W273E252-Q254 PolarHBondContact O-N 3.43Å; Q254-R272 PolarHBondContact O-NE 2.82Å; Q254-W273 PolarHBondContact NE2-O 3.13Å
255R95.8Very high96Very high79 Ų7942.1 Ų42.130%0.29823%0.232SC..THydrogen-bonded Turntrans-78.2-24.6171.8-60.4178.171.3-167.71.1111.7W218 D219 E252W218-R255 VanDerWaalsContact CE2-CZ 3.41Å; W218-R255 VanDerWaalsContact CZ2-CZ 3.41Å; D219-R255 PolarHBondContact N-O 3.29Å; D219-R255 VanDerWaalsContact N-O 3.09Å; D219-R255 WeakPolarHBondContact OD1-CB 3.29Å; D219-R255 IonicContact OD1-NE 2.68Å; D219-R255 IonicContact OD2-CZ 3.16Å; D219-R255 IonicContact OD2-NE 2.76Å; D219-R255 PolarHBondContact OD2-NE 2.88Å; D219-R255 IonicContact OD2-NH2 2.68Å; D219-R255 PolarHBondContact OD2-NH2 2.98Å; E252-R255 WeakPolarHBondContact O-CB 3.2Å; E252-R255 PolarHBondContact O-N 2.88Å; E252-R255 IonicContact OE1-NH1 3.36Å; E252-R255 WeakPolarHBondContact OE2-CD 3.28Å; E252-R255 IonicContact OE2-CZ 3.17Å; E252-R255 IonicContact OE2-NE 2.82Å; E252-R255 IonicContact OE2-NH1 3.76Å; E252-R255 PolarHBondContact OE2-NH1 2.9Å
256Y97Very high95.8Very high20 Ų2047.9 Ų47.98%0.07827%0.269CS..EExtended strand (participates in β ladder)trans-83.8131179.1-68.5-91.7000111.4Q217 W218 Q223 V246 V248 E252 E253Q217-Y256 CarbonylContact O-C 3.56Å; Q217-Y256 VanDerWaalsContact O-CA 3.31Å; Q217-Y256 WeakPolarHBondContact O-CA 3.27Å; W218-Y256 HydrophobicContact CB-CD1 4.14Å; W218-Y256 HydrophobicContact CB-CE1 3.91Å; W218-Y256 AromaticContact CD1-CD2 3.97Å; W218-Y256 AromaticContact CD1-CE1 3.84Å; W218-Y256 AromaticContact CD1-CE2 3.46Å; W218-Y256 VanDerWaalsContact CD1-CE2 3.46Å; W218-Y256 AromaticContact CD1-CZ 3.39Å; W218-Y256 HydrophobicContact CG-CE1 4.19Å; Q223-Y256 HydrophobicContact CG-CE1 4.36Å; V246-Y256 HydrophobicContact CG2-CD1 4.13Å; V248-Y256 HydrophobicContact CB-CD2 3.87Å; V248-Y256 HydrophobicContact CB-CE2 3.55Å; V248-Y256 HydrophobicContact CG1-CD1 3.84Å; V248-Y256 HydrophobicContact CG1-CD2 3.51Å; V248-Y256 HydrophobicContact CG1-CE1 3.79Å; V248-Y256 HydrophobicContact CG1-CE2 3.46Å; V248-Y256 VanDerWaalsContact CG1-CE2 3.46Å; V248-Y256 HydrophobicContact CG1-CG 3.7Å; E252-Y256 HydrophobicContact CB-CE2 4.3Å; E252-Y256 WeakPolarHBondContact O-CD2 3.34Å; E253-Y256 PolarHBondContact O-N 3.48Å
257T97.8Very high95.8Very high10 Ų1055 Ų556%0.06130%0.302CS..EExtended strand (participates in β ladder)trans-126.4131.1175.445.80000110.4W216 Q217 H259 T270 L271 R272W216-T257 CarbonylContact C-O 3.56Å; W216-T257 WeakPolarHBondContact CA-O 3.15Å; Q217-T257 PolarHBondContact N-O 2.97Å; Q217-T257 PolarHBondContact O-N 3.06Å; Q217-T257 PolarHBondContact O-OG1 2.82Å; T257-H259 WeakPolarHBondContact CB-NE2 3.47Å; T257-H259 PolarHBondContact OG1-NE2 3.37Å; T257-T270 HydrophobicContact CG2-CG2 3.92Å; T257-L271 CarbonylContact C-O 3.57Å; T257-L271 WeakPolarHBondContact CA-O 3.45Å; T257-R272 HydrophobicContact CG2-CG 3.72Å; T257-R272 VanDerWaalsContact CG2-NE 3.31Å
258C98.1Very high95.8Very high0 Ų055 Ų550%030%0.304CS..EExtended strand (participates in β ladder)trans-91.9132.5169.1173.50000109.2C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.46Å; C202-C258 VanDerWaalsContact CB-CB 3.46Å; C202-C258 WeakPolarHBondContact CB-SG 3.12Å; C202-C258 WeakPolarHBondContact SG-CB 3.31Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 2.91Å; T215-C258 CarbonylContact O-C 3.51Å; T215-C258 WeakPolarHBondContact O-CA 3.49Å; W216-C258 HydrophobicContact CD2-CB 4.07Å; W216-C258 HydrophobicContact CE3-CB 4.01Å; W216-C258 HydrophobicContact CH2-CB 3.99Å; W216-C258 HydrophobicContact CZ2-CB 4.06Å; W216-C258 HydrophobicContact CZ3-CB 3.96Å; C258-T270 CarbonylContact O-C 3.59Å; C258-T270 WeakPolarHBondContact O-CA 3.32Å; C258-L271 HydrophobicContact CB-CB 4.27Å; C258-L271 PolarHBondContact N-O 2.68Å; C258-L271 PolarHBondContact O-N 2.91Å
259H97.9Very high95.8Very high50 Ų5057.8 Ų57.823%0.23132%0.318CS..EExtended strand (participates in β ladder)trans-112.5133.8176.1-64.9-97.4000109.9L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.36Å; T215-H259 PolarHBondContact N-O 3.1Å; T215-H259 PolarHBondContact O-N 3.32Å; Q217-H259 VanDerWaalsContact CB-NE2 3.31Å; Q217-H259 WeakPolarHBondContact CB-NE2 3.35Å; Q217-H259 PolarHBondContact OE1-NE2 3.4Å; T257-H259 WeakPolarHBondContact CB-NE2 3.47Å; T257-H259 PolarHBondContact OG1-NE2 3.37Å; H259-L269 CarbonylContact C-O 3.58Å; H259-L269 WeakPolarHBondContact CA-O 3.44Å; H259-T270 VanDerWaalsContact CE1-CG2 3.42Å; H259-T270 WeakPolarHBondContact CE1-CG2 3.43Å; H259-T270 PolarHBondContact CE1-OG1 2.85Å; H259-T270 PolarHBondContact ND1-OG1 3.15Å; H259-T270 VanDerWaalsContact ND1-OG1 3.09Å
260V98.3Very high95.9Very high0 Ų059 Ų590%033%0.325CS..EExtended strand (participates in β ladder)trans-126.5120.1-176.4-174.90000109.8P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.93Å; T186-V260 HydrophobicContact CG2-CB 4.44Å; T186-V260 HydrophobicContact CG2-CG1 4.15Å; T186-V260 HydrophobicContact CG2-CG2 4.07Å; I212-V260 HydrophobicContact CD1-CG1 4.05Å; I212-V260 HydrophobicContact CG1-CG1 4.36Å; T213-V260 WeakPolarHBondContact O-CA 3.46Å; L214-V260 HydrophobicContact CD1-CG1 4.01Å; L214-V260 HydrophobicContact CD1-CG2 4.42Å; L214-V260 HydrophobicContact CG-CG2 4.27Å; V260-L265 HydrophobicContact CG1-CD1 4.17Å; V260-P268 WeakPolarHBondContact O-CA 3.45Å; V260-L269 HydrophobicContact CB-CB 4.35Å; V260-L269 PolarHBondContact N-O 2.95Å; V260-L269 PolarHBondContact O-N 2.89Å; V260-L271 HydrophobicContact CG2-CD1 3.92Å
261Q98.2Very high96.2Very high104 Ų10457.9 Ų57.949%0.48631%0.314SS..EExtended strand (participates in β ladder)trans-118.6130.4175.4-52.8-178.411.500109.8I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.32Å; I212-Q261 WeakPolarHBondContact CG1-O 3.49Å; T213-Q261 PolarHBondContact N-O 2.98Å; T213-Q261 PolarHBondContact O-N 2.92Å; Q261-P268 HydrophobicContact CG-CB 4.06Å; Q261-P268 HydrophobicContact CG-CG 4.14Å
262H97.9Very high96.4Very high15 Ų1561.2 Ų61.27%0.06931%0.307CS..  trans-156.8144-176.3-177-100.6000108.8E182 P184 F207 Y208 P209 E211 I212 G264 L265E182-H262 PolarHBondContact O-CE1 3.35Å; P184-H262 HydrophobicContact CG-CB 4.17Å; F207-H262 AromaticContact CD2-CD2 3.93Å; F207-H262 AromaticContact CD2-NE2 3.81Å; Y208-H262 PolarHBondContact O-CE1 3.38Å; P209-H262 PolarHBondContact O-NE2 2.78Å; E211-H262 PolarHBondContact O-CD2 2.71Å; E211-H262 VanDerWaalsContact O-CD2 3.26Å; I212-H262 HydrophobicContact CD1-CB 4.31Å; I212-H262 HydrophobicContact CG1-CB 4.08Å; H262-G264 PolarHBondContact ND1-N 3.02Å; H262-G264 VanDerWaalsContact ND1-N 3.14Å; H262-G264 PolarHBondContact O-N 3.39Å; H262-G264 VanDerWaalsContact O-N 3.12Å; H262-L265 HydrophobicContact CB-CD1 4Å; H262-L265 HydrophobicContact CB-CG 4.16Å; H262-L265 WeakPolarHBondContact O-CB 3.38Å; H262-L265 PolarHBondContact O-N 2.96Å
263E95.1Very high96.5Very high135 Ų13560.5 Ų60.563%0.63130%0.302SS*.THydrogen-bonded Turntrans-65-20-173.774.6160-154.400114.6A181 P209A181-E263 HydrophobicContact CB-CG 4.18Å; P209-E263 HydrophobicContact CG-CG 3.8Å
264G93.8Very high96.2Very high14 Ų1467.4 Ų67.414%0.14433%0.334CS..THydrogen-bonded Turntrans-70.7-33.5172.600000112.5A181 H183 H262A181-G264 VanDerWaalsContact CB-CA 3.49Å; H183-G264 PolarHBondContact CE1-O 2.81Å; H183-G264 VanDerWaalsContact ND1-C 3.25Å; H183-G264 PolarHBondContact ND1-O 3.22Å; H262-G264 PolarHBondContact ND1-N 3.02Å; H262-G264 VanDerWaalsContact ND1-N 3.14Å; H262-G264 PolarHBondContact O-N 3.39Å; H262-G264 VanDerWaalsContact O-N 3.12Å
265L96.4Very high95.6Very high25 Ų2567 Ų6713%0.13134%0.338CS..  trans-72125.4-177-65172000110.4H183 P184 V260 H262 E267 L269H183-L265 HydrophobicContact CB-CD2 4.15Å; P184-L265 HydrophobicContact CG-CD1 3.88Å; P184-L265 HydrophobicContact CG-CD2 4.43Å; P184-L265 HydrophobicContact CG-CG 4.24Å; V260-L265 HydrophobicContact CG1-CD1 4.17Å; H262-L265 HydrophobicContact CB-CD1 4Å; H262-L265 HydrophobicContact CB-CG 4.16Å; H262-L265 WeakPolarHBondContact O-CB 3.38Å; H262-L265 PolarHBondContact O-N 2.96Å; L265-E267 VanDerWaalsContact C-N 3.27Å; L265-E267 PolarHBondContact O-N 3.08Å; L265-L269 HydrophobicContact CD1-CD1 4.05Å; L265-L269 HydrophobicContact CD1-CG 3.94Å; L265-L269 HydrophobicContact CD2-CD1 3.73Å; L265-L269 HydrophobicContact CD2-CG 3.92Å
266P94.9Very high94.2Very high124 Ų12468.4 Ų68.481%0.80536%0.36SS*.SBendtrans-69.6-27.9178.829.2-35000112.4
267E95.9Very high91.9Very high153 Ų15372.8 Ų72.872%0.71539%0.394SS*.SBendtrans-140148.4173.1-65-177.1173.900108.3L265L265-E267 VanDerWaalsContact C-N 3.27Å; L265-E267 PolarHBondContact O-N 3.08Å
268P96.7Very high89.4Confident79 Ų7980 Ų8051%0.51343%0.427SS..  trans-54.9139174.8-27.436.7000112.7V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.45Å; Q261-P268 HydrophobicContact CG-CB 4.06Å; Q261-P268 HydrophobicContact CG-CG 4.14Å
269L97.3Very high86.7Confident60 Ų6084.8 Ų84.831%0.31446%0.458SS..EExtended strand (participates in β ladder)trans-87.2132.5173.5-64.8176.5000110.4T186 H259 V260 L265T186-L269 HydrophobicContact CG2-CD1 4.32Å; H259-L269 CarbonylContact C-O 3.58Å; H259-L269 WeakPolarHBondContact CA-O 3.44Å; V260-L269 HydrophobicContact CB-CB 4.35Å; V260-L269 PolarHBondContact N-O 2.95Å; V260-L269 PolarHBondContact O-N 2.89Å; L265-L269 HydrophobicContact CD1-CD1 4.05Å; L265-L269 HydrophobicContact CD1-CG 3.94Å; L265-L269 HydrophobicContact CD2-CD1 3.73Å; L265-L269 HydrophobicContact CD2-CG 3.92Å
270T97.6Very high84.5Confident79 Ų7989 Ų8949%0.48549%0.488SS..EExtended strand (participates in β ladder)trans-109.6127167.8-54.10000109.3T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.92Å; C258-T270 CarbonylContact O-C 3.59Å; C258-T270 WeakPolarHBondContact O-CA 3.32Å; H259-T270 VanDerWaalsContact CE1-CG2 3.42Å; H259-T270 WeakPolarHBondContact CE1-CG2 3.43Å; H259-T270 PolarHBondContact CE1-OG1 2.85Å; H259-T270 PolarHBondContact ND1-OG1 3.15Å; H259-T270 VanDerWaalsContact ND1-OG1 3.09Å
271L97Very high82.3Confident35 Ų3593.8 Ų93.818%0.18351%0.512CS..EExtended strand (participates in β ladder)trans-124.8143.2-172-59.8160.9000110T186 V188 T257 C258 V260T186-L271 HydrophobicContact CG2-CD1 4.14Å; V188-L271 HydrophobicContact CG2-CB 4.08Å; T257-L271 CarbonylContact C-O 3.57Å; T257-L271 WeakPolarHBondContact CA-O 3.45Å; C258-L271 HydrophobicContact CB-CB 4.27Å; C258-L271 PolarHBondContact N-O 2.68Å; C258-L271 PolarHBondContact O-N 2.91Å; V260-L271 HydrophobicContact CG2-CD1 3.92Å
272R95.8Very high80.3Confident135 Ų13593 Ų9351%0.50952%0.516SS..  trans-118.4166.5167.4-70.7-173.5173.1173.9-4.4109.6Q254 T257 E274Q254-R272 PolarHBondContact O-NE 2.82Å; T257-R272 HydrophobicContact CG2-CG 3.72Å; T257-R272 VanDerWaalsContact CG2-NE 3.31Å; R272-E274 PolarHBondContact O-N 2.84Å
273W95.6Very high78.5Confident46 Ų4697.9 Ų97.917%0.17454%0.542CS..PPolyproline II helixtrans-72.4120.9164.7170.853.8000110V188 H190 L200 E253 Q254 P275V188-W273 HydrophobicContact CB-CB 4.48Å; V188-W273 HydrophobicContact CG1-CB 3.86Å; H190-W273 HydrophobicContact CB-CD2 3.99Å; H190-W273 HydrophobicContact CB-CG 4.05Å; H190-W273 HydrophobicContact CB-CZ2 4.02Å; H190-W273 VanDerWaalsContact CB-NE1 3.35Å; H190-W273 AromaticContact CG-CE2 3.75Å; H190-W273 AromaticContact CG-CZ2 3.77Å; H190-W273 AromaticContact ND1-CZ2 3.87Å; L200-W273 HydrophobicContact CD1-CB 4.47Å; L200-W273 HydrophobicContact CD2-CB 3.83Å; L200-W273 HydrophobicContact CD2-CD2 4.42Å; L200-W273 HydrophobicContact CD2-CG 4.04Å; E253-W273 HydrophobicContact CB-CE3 3.48Å; E253-W273 VanDerWaalsContact CB-CE3 3.48Å; E253-W273 HydrophobicContact CB-CZ3 3.91Å; E253-W273 HydrophobicContact CG-CE3 3.79Å; E253-W273 HydrophobicContact CG-CZ3 3.8Å; Q254-W273 PolarHBondContact NE2-O 3.13Å; W273-P275 HydrophobicContact CD2-CG 4.38Å; W273-P275 HydrophobicContact CE3-CG 4.21Å; W273-P275 HydrophobicContact CH2-CB 4.12Å; W273-P275 HydrophobicContact CH2-CG 3.82Å; W273-P275 HydrophobicContact CZ2-CB 3.88Å; W273-P275 HydrophobicContact CZ2-CG 3.92Å; W273-P275 HydrophobicContact CZ3-CG 3.96Å
274E89.4Confident76.9Confident167 Ų16797.4 Ų97.478%0.7855%0.548SS*.PPolyproline II helixtrans-94.4118.3166.2-66.2-172.5166.900109.1R272 S276R272-E274 PolarHBondContact O-N 2.84Å; E274-S276 PolarHBondContact O-N 2.69Å
275P82.2Confident75.4Confident76 Ų7698.8 Ų98.849%0.49456%0.561SS.*PPolyproline II helixtrans-58.1128.5169.6-21.532.4000109.4W273 S277W273-P275 HydrophobicContact CD2-CG 4.38Å; W273-P275 HydrophobicContact CE3-CG 4.21Å; W273-P275 HydrophobicContact CH2-CB 4.12Å; W273-P275 HydrophobicContact CH2-CG 3.82Å; W273-P275 HydrophobicContact CZ2-CB 3.88Å; W273-P275 HydrophobicContact CZ2-CG 3.92Å; W273-P275 HydrophobicContact CZ3-CG 3.96Å; P275-S277 PolarHBondContact O-N 3.14Å
276S64.6Low74.2Confident109 Ų109102 Ų10276%0.76258%0.578SS**  trans-64.4103.4-170.152.40000111.6E274 Q278E274-S276 PolarHBondContact O-N 2.69Å; S276-Q278 PolarHBondContact O-N 3.48Å
277S48.8Very low73.1Confident112 Ų112100.4 Ų100.478%0.78357%0.565SS**  trans-75.253.5175.452.80000111.6P275 P279P275-S277 PolarHBondContact O-N 3.14Å; S277-P279 WeakPolarHBondContact O-CD 3.45Å; S277-P279 VanDerWaalsContact O-N 3.14Å
278Q44.9Very low72Confident161 Ų16195.6 Ų95.675%0.75255%0.552SS**  trans-59.9114155.2-75.6-166.7-10.100106.7S276 T280S276-Q278 PolarHBondContact O-N 3.48Å; Q278-T280 PolarHBondContact O-N 2.76Å; Q278-T280 VanDerWaalsContact O-N 3.1Å
279P43.2Very low71.1Confident102 Ų10293.5 Ų93.566%0.66255%0.545SS*.  trans-64120.6168.927.7-31.7000106.4S277 I281S277-P279 WeakPolarHBondContact O-CD 3.45Å; S277-P279 VanDerWaalsContact O-N 3.14Å; P279-I281 HydrophobicContact CB-CG1 4.45Å; P279-I281 HydrophobicContact CG-CG1 4.3Å; P279-I281 PolarHBondContact O-N 3.13Å
280T49.9Very low70.4Confident138 Ų13895.9 Ų95.985%0.84756%0.557SS**  trans-67.576.3165.5-51.40000107.6Q278 P282Q278-T280 PolarHBondContact O-N 2.76Å; Q278-T280 VanDerWaalsContact O-N 3.1Å; T280-P282 WeakPolarHBondContact O-CD 3.43Å; T280-P282 VanDerWaalsContact O-N 3.08Å
281I53.7Low69.6Low101 Ų10194.6 Ų94.652%0.51856%0.555SS.*  trans-51119.8172.3-63.9175.3000104.9P279 I283 I286P279-I281 HydrophobicContact CB-CG1 4.45Å; P279-I281 HydrophobicContact CG-CG1 4.3Å; P279-I281 PolarHBondContact O-N 3.13Å; I281-I283 HydrophobicContact CG2-CG1 4.46Å; I281-I283 PolarHBondContact O-N 3.34Å; I281-I286 HydrophobicContact CG2-CD1 3.78Å
282P55.8Low68.9Low86 Ų8697 Ų9756%0.55857%0.571SS**  trans-76.277.3-173.729.8-34.5000108.7T280 V284 G285 I286T280-P282 WeakPolarHBondContact O-CD 3.43Å; T280-P282 VanDerWaalsContact O-N 3.08Å; P282-V284 PolarHBondContact O-N 3.48Å; P282-G285 CarbonylContact O-C 3.59Å; P282-G285 WeakPolarHBondContact O-CA 3.37Å; P282-G285 PolarHBondContact O-N 2.89Å; P282-I286 PolarHBondContact O-N 2.79Å
283I60.5Low68.2Low119 Ų11996 Ų9661%0.6158%0.575SS**Hα-helixtrans-54.2-38.6177.3-65.1168.6000109.1I281 G285 I286 V287I281-I283 HydrophobicContact CG2-CG1 4.46Å; I281-I283 PolarHBondContact O-N 3.34Å; I283-G285 PolarHBondContact O-N 3.49Å; I283-I286 PolarHBondContact O-N 3.18Å; I283-V287 HydrophobicContact CG2-CG2 4.24Å; I283-V287 WeakPolarHBondContact O-CB 3.35Å; I283-V287 VanDerWaalsContact O-CG2 3.25Å; I283-V287 WeakPolarHBondContact O-CG2 3.28Å; I283-V287 PolarHBondContact O-N 3.41Å
284V60Low67.6Low125 Ų12596.5 Ų96.576%0.75859%0.589SS**Hα-helixtrans-56.8-44.4171.2179.80000112.2P282 A288P282-V284 PolarHBondContact O-N 3.48Å; V284-A288 WeakPolarHBondContact O-CB 3.34Å; V284-A288 PolarHBondContact O-N 3.17Å
285G63.2Low67.3Low42 Ų4292.7 Ų92.743%0.43358%0.577SS.*Hα-helixtrans-68.9-39.5178.100000113.1P282 I283 G289P282-G285 CarbonylContact O-C 3.59Å; P282-G285 WeakPolarHBondContact O-CA 3.37Å; P282-G285 PolarHBondContact O-N 2.89Å; I283-G285 PolarHBondContact O-N 3.49Å; G285-G289 PolarHBondContact O-N 3.47Å
286I71.2Confident67.3Low92 Ų9294.1 Ų94.147%0.47258%0.58SS.*Hα-helixtrans-66-46.9175.6-63.3170.6000110.3I281 P282 I283 G289 L290I281-I286 HydrophobicContact CG2-CD1 3.78Å; P282-I286 PolarHBondContact O-N 2.79Å; I283-I286 PolarHBondContact O-N 3.18Å; I286-G289 PolarHBondContact O-N 3.14Å; I286-L290 HydrophobicContact CG2-CD1 3.98Å; I286-L290 WeakPolarHBondContact O-CB 3.36Å; I286-L290 WeakPolarHBondContact O-CG 2.95Å; I286-L290 PolarHBondContact O-N 2.94Å
287V72.6Confident68.1Low91 Ų9192 Ų9255%0.55257%0.569SS**Hα-helixtrans-63.5-42.3177.3170.20000111.3I283 L290 A291I283-V287 HydrophobicContact CG2-CG2 4.24Å; I283-V287 WeakPolarHBondContact O-CB 3.35Å; I283-V287 VanDerWaalsContact O-CG2 3.25Å; I283-V287 WeakPolarHBondContact O-CG2 3.28Å; I283-V287 PolarHBondContact O-N 3.41Å; V287-L290 PolarHBondContact O-N 2.87Å; V287-A291 WeakPolarHBondContact O-CB 3.3Å; V287-A291 PolarHBondContact O-N 2.91Å
288A72.1Confident69.7Low53 Ų5391.2 Ų91.244%0.43856%0.559SS.*Hα-helixtrans-63-44.517500000112.1V284 A291 V292V284-A288 WeakPolarHBondContact O-CB 3.34Å; V284-A288 PolarHBondContact O-N 3.17Å; A288-A291 PolarHBondContact O-N 3.26Å; A288-V292 WeakPolarHBondContact O-CG2 3.27Å; A288-V292 PolarHBondContact O-N 2.83Å
289G77.8Confident71.3Confident35 Ų3588.2 Ų88.236%0.36155%0.548SS..Hα-helixtrans-61.5-43.7176.400000112.9G285 I286 V292 L293G285-G289 PolarHBondContact O-N 3.47Å; I286-G289 PolarHBondContact O-N 3.14Å; G289-V292 PolarHBondContact O-N 3.49Å; G289-L293 WeakPolarHBondContact O-CB 3.46Å; G289-L293 WeakPolarHBondContact O-CG 3.23Å; G289-L293 PolarHBondContact O-N 3.33Å
290L82.8Confident73.1Confident109 Ų10985.4 Ų85.457%0.57154%0.537SS*.Hα-helixtrans-65.3-39.6175.5-71.7171.3000112.4I286 V287 L293 A294I286-L290 HydrophobicContact CG2-CD1 3.98Å; I286-L290 WeakPolarHBondContact O-CB 3.36Å; I286-L290 WeakPolarHBondContact O-CG 2.95Å; I286-L290 PolarHBondContact O-N 2.94Å; V287-L290 PolarHBondContact O-N 2.87Å; L290-L293 PolarHBondContact O-N 3.47Å; L290-A294 WeakPolarHBondContact O-CB 3.3Å; L290-A294 PolarHBondContact O-N 3.41Å
291A79.8Confident74.4Confident52 Ų5281.4 Ų81.443%0.4352%0.518SS..Hα-helixtrans-63.7-43.6175.700000112V287 A288 A294 V295V287-A291 WeakPolarHBondContact O-CB 3.3Å; V287-A291 PolarHBondContact O-N 2.91Å; A288-A291 PolarHBondContact O-N 3.26Å; A291-A294 PolarHBondContact O-N 2.81Å; A291-V295 WeakPolarHBondContact O-CG2 3.38Å; A291-V295 PolarHBondContact O-N 3.04Å
292V82.5Confident75.6Confident87 Ų8780.6 Ų80.653%0.52752%0.518SS..Hα-helixtrans-63.2-44.4175.4171.10000111.2A288 G289 A294 V295 L296A288-V292 WeakPolarHBondContact O-CG2 3.27Å; A288-V292 PolarHBondContact O-N 2.83Å; G289-V292 PolarHBondContact O-N 3.49Å; V292-A294 PolarHBondContact O-N 2.8Å; V292-V295 PolarHBondContact O-N 3.04Å; V292-L296 HydrophobicContact CG1-CD1 3.9Å; V292-L296 HydrophobicContact CG1-CG 4.4Å; V292-L296 WeakPolarHBondContact O-CB 3.41Å; V292-L296 WeakPolarHBondContact O-CG 3.3Å; V292-L296 PolarHBondContact O-N 3.33Å
293L82.6Confident76.6Confident113 Ų11380.5 Ų80.559%0.59252%0.515SS*.Hα-helixtrans-60.5-42175.6-80166.1000112.4G289 L290 L296 A297G289-L293 WeakPolarHBondContact O-CB 3.46Å; G289-L293 WeakPolarHBondContact O-CG 3.23Å; G289-L293 PolarHBondContact O-N 3.33Å; L290-L293 PolarHBondContact O-N 3.47Å; L293-L296 PolarHBondContact O-N 3.39Å; L293-A297 WeakPolarHBondContact O-CB 3.38Å; L293-A297 PolarHBondContact O-N 3Å
294A82.5Confident77.1Confident56 Ų5677.3 Ų77.346%0.46351%0.507SS..Hα-helixtrans-63.2-44.1176.300000112.2L290 A291 V292 A297 V298L290-A294 WeakPolarHBondContact O-CB 3.3Å; L290-A294 PolarHBondContact O-N 3.41Å; A291-A294 PolarHBondContact O-N 2.81Å; V292-A294 PolarHBondContact O-N 2.8Å; A294-A297 PolarHBondContact O-N 3.45Å; A294-V298 WeakPolarHBondContact O-CG2 3.45Å; A294-V298 PolarHBondContact O-N 2.83Å
295V82.6Confident77.8Confident88 Ų8875.1 Ų75.153%0.53349%0.493SS..Hα-helixtrans-62.8-43.8176.1171.20000111.3A291 V292 A297 V298 L299A291-V295 WeakPolarHBondContact O-CG2 3.38Å; A291-V295 PolarHBondContact O-N 3.04Å; V292-V295 PolarHBondContact O-N 3.04Å; V295-A297 PolarHBondContact O-N 3.27Å; V295-V298 PolarHBondContact O-N 3.12Å; V295-L299 HydrophobicContact CG1-CD1 3.92Å; V295-L299 HydrophobicContact CG1-CG 4.46Å; V295-L299 WeakPolarHBondContact O-CB 3.46Å; V295-L299 WeakPolarHBondContact O-CG 3.45Å; V295-L299 PolarHBondContact O-N 3.45Å
296L82.9Confident78.2Confident105 Ų10577.1 Ų77.155%0.5550%0.497SS..Hα-helixtrans-63.8-39.8176.7-70.8172.1000112.3V292 L293 L299 G300V292-L296 HydrophobicContact CG1-CD1 3.9Å; V292-L296 HydrophobicContact CG1-CG 4.4Å; V292-L296 WeakPolarHBondContact O-CB 3.41Å; V292-L296 WeakPolarHBondContact O-CG 3.3Å; V292-L296 PolarHBondContact O-N 3.33Å; L293-L296 PolarHBondContact O-N 3.39Å; L296-L299 PolarHBondContact O-N 3.36Å; L296-G300 PolarHBondContact O-N 3.04Å
297A81.4Confident78.2Confident65 Ų6579 Ų7954%0.53751%0.505SS..Hα-helixtrans-64.2-42.9175.700000112.2L293 A294 V295 G300 A301L293-A297 WeakPolarHBondContact O-CB 3.38Å; L293-A297 PolarHBondContact O-N 3Å; A294-A297 PolarHBondContact O-N 3.45Å; V295-A297 PolarHBondContact O-N 3.27Å; A297-G300 PolarHBondContact O-N 3.17Å; A297-A301 WeakPolarHBondContact O-CB 3.4Å; A297-A301 PolarHBondContact O-N 2.89Å
298V81.4Confident77.6Confident95 Ų9578.8 Ų78.858%0.57651%0.507SS*.Hα-helixtrans-63.8-44.8175.4170.70000111.2A294 V295 G300 A301 V302A294-V298 WeakPolarHBondContact O-CG2 3.45Å; A294-V298 PolarHBondContact O-N 2.83Å; V295-V298 PolarHBondContact O-N 3.12Å; V298-G300 PolarHBondContact O-N 2.89Å; V298-A301 PolarHBondContact O-N 2.66Å; V298-V302 WeakPolarHBondContact O-CG2 3.09Å; V298-V302 PolarHBondContact O-N 2.94Å
299L79.9Confident77.1Confident99 Ų9985.2 Ų85.252%0.51852%0.52SS..Hα-helixtrans-61.4-44.1176.1-72.6169.7000111.7V295 L296 A301 V302 V303V295-L299 HydrophobicContact CG1-CD1 3.92Å; V295-L299 HydrophobicContact CG1-CG 4.46Å; V295-L299 WeakPolarHBondContact O-CB 3.46Å; V295-L299 WeakPolarHBondContact O-CG 3.45Å; V295-L299 PolarHBondContact O-N 3.45Å; L296-L299 PolarHBondContact O-N 3.36Å; L299-A301 PolarHBondContact O-N 3.05Å; L299-V302 PolarHBondContact O-N 3.19Å; L299-V303 WeakPolarHBondContact O-CG2 3.48Å; L299-V303 PolarHBondContact O-N 3.05Å
300G79.6Confident76Confident42 Ų4293.6 Ų93.643%0.43354%0.541SS..Hα-helixtrans-59.9-43.917500000112.8L296 A297 V298 V303 A304L296-G300 PolarHBondContact O-N 3.04Å; A297-G300 PolarHBondContact O-N 3.17Å; V298-G300 PolarHBondContact O-N 2.89Å; G300-V303 PolarHBondContact O-N 3.22Å; G300-A304 WeakPolarHBondContact O-CB 3.22Å; G300-A304 PolarHBondContact O-N 2.87Å
301A77.8Confident74.4Confident55 Ų5597.3 Ų97.346%0.45555%0.552SS.*Hα-helixtrans-63.8-42.317600000112.4A297 V298 L299 A304 V305A297-A301 WeakPolarHBondContact O-CB 3.4Å; A297-A301 PolarHBondContact O-N 2.89Å; V298-A301 PolarHBondContact O-N 2.66Å; L299-A301 PolarHBondContact O-N 3.05Å; A301-A304 PolarHBondContact O-N 3.49Å; A301-V305 WeakPolarHBondContact O-CG2 3.19Å; A301-V305 PolarHBondContact O-N 3.01Å
302V78.3Confident73.1Confident83 Ų8399.3 Ų99.350%0.50356%0.563SS.*Hα-helixtrans-62.1-45.7175.6169.30000111V298 L299 A304 V305 V306V298-V302 WeakPolarHBondContact O-CG2 3.09Å; V298-V302 PolarHBondContact O-N 2.94Å; L299-V302 PolarHBondContact O-N 3.19Å; V302-A304 PolarHBondContact O-N 2.92Å; V302-V305 PolarHBondContact O-N 3.04Å; V302-V306 HydrophobicContact CG1-CG2 4.44Å; V302-V306 WeakPolarHBondContact O-CB 3.38Å; V302-V306 VanDerWaalsContact O-CG2 3.3Å; V302-V306 WeakPolarHBondContact O-CG2 3.38Å; V302-V306 PolarHBondContact O-N 3.17Å
303V76.5Confident71.4Confident84 Ų84100 Ų10051%0.50957%0.572SS.*Hα-helixtrans-60.9-44.7176171.20000111.1L299 G300 V305 V306 M307L299-V303 WeakPolarHBondContact O-CG2 3.48Å; L299-V303 PolarHBondContact O-N 3.05Å; G300-V303 PolarHBondContact O-N 3.22Å; V303-V305 PolarHBondContact O-N 3.31Å; V303-V306 PolarHBondContact O-N 3.02Å; V303-M307 HydrophobicContact CG1-CG 4.41Å; V303-M307 HydrophobicContact CG1-SD 4.1Å; V303-M307 WeakPolarHBondContact O-CB 3.21Å; V303-M307 WeakPolarHBondContact O-CG 3.4Å; V303-M307 PolarHBondContact O-N 2.67Å
304A72.4Confident69.7Low52 Ų5298 Ų9843%0.4358%0.578SS.*Hα-helixtrans-61.2-44.2177.200000112.5G300 A301 V302 M307 C308G300-A304 WeakPolarHBondContact O-CB 3.22Å; G300-A304 PolarHBondContact O-N 2.87Å; A301-A304 PolarHBondContact O-N 3.49Å; V302-A304 PolarHBondContact O-N 2.92Å; A304-M307 PolarHBondContact O-N 3.41Å; A304-C308 WeakPolarHBondContact O-CB 3.5Å; A304-C308 PolarHBondContact O-N 2.86Å; A304-C308 PolarHBondContact O-SG 3.26Å
305V73.2Confident67.4Low79 Ų7999.2 Ų99.248%0.47960%0.596SS.*Hα-helixtrans-64.7-41.3176.5168.90000111.6A301 V302 V303 C308 R309A301-V305 WeakPolarHBondContact O-CG2 3.19Å; A301-V305 PolarHBondContact O-N 3.01Å; V302-V305 PolarHBondContact O-N 3.04Å; V303-V305 PolarHBondContact O-N 3.31Å; V305-C308 PolarHBondContact O-N 3.01Å; V305-R309 WeakPolarHBondContact O-CB 3.49Å; V305-R309 PolarHBondContact O-N 2.67Å
306V72.1Confident65.2Low84 Ų84105.5 Ų105.551%0.50962%0.617SS.*Hα-helixtrans-65.3-43.2176169.90000111.1V302 V303 R309 R310V302-V306 HydrophobicContact CG1-CG2 4.44Å; V302-V306 WeakPolarHBondContact O-CB 3.38Å; V302-V306 VanDerWaalsContact O-CG2 3.3Å; V302-V306 WeakPolarHBondContact O-CG2 3.38Å; V302-V306 PolarHBondContact O-N 3.17Å; V303-V306 PolarHBondContact O-N 3.02Å; V306-R309 PolarHBondContact O-N 2.73Å; V306-R310 WeakPolarHBondContact O-CB 3.26Å; V306-R310 PolarHBondContact O-N 3.26Å
307M70.7Confident62.9Low131 Ų131104.3 Ų104.365%0.64563%0.63SS**Hα-helixtrans-64.8-40.8176-72.8-174.472.800112.4V303 A304 R310 K311V303-M307 HydrophobicContact CG1-CG 4.41Å; V303-M307 HydrophobicContact CG1-SD 4.1Å; V303-M307 WeakPolarHBondContact O-CB 3.21Å; V303-M307 WeakPolarHBondContact O-CG 3.4Å; V303-M307 PolarHBondContact O-N 2.67Å; A304-M307 PolarHBondContact O-N 3.41Å; M307-R310 PolarHBondContact O-N 2.71Å; M307-K311 WeakPolarHBondContact O-CB 3.37Å; M307-K311 PolarHBondContact O-N 3.29Å
308C61.7Low60.5Low87 Ų87105.4 Ų105.459%0.58865%0.647SS**Hα-helixtrans-62-44.7173.9-69.90000111.6A304 V305 R310 K311 S312A304-C308 WeakPolarHBondContact O-CB 3.5Å; A304-C308 PolarHBondContact O-N 2.86Å; A304-C308 PolarHBondContact O-SG 3.26Å; V305-C308 PolarHBondContact O-N 3.01Å; C308-R310 VanDerWaalsContact C-N 3.32Å; C308-R310 PolarHBondContact O-N 2.9Å; C308-K311 PolarHBondContact O-N 3.17Å; C308-K311 VanDerWaalsContact O-N 3.07Å; C308-S312 PolarHBondContact O-N 2.65Å; C308-S312 PolarHBondContact O-OG 2.93Å
309R60.6Low58.3Low189 Ų189106.2 Ų106.271%0.71366%0.657SS**Hα-helixtrans-64.4-32.3175.2-79.1-178162.8169-3.6113.4V305 V306 K311 S312V305-R309 WeakPolarHBondContact O-CB 3.49Å; V305-R309 PolarHBondContact O-N 2.67Å; V306-R309 PolarHBondContact O-N 2.73Å; R309-K311 VanDerWaalsContact C-N 3.32Å; R309-S312 WeakPolarHBondContact CA-OG 3.39Å; R309-S312 PolarHBondContact O-OG 3.21Å; R309-S312 VanDerWaalsContact O-OG 3.14Å
310R55.7Low56.2Low211 Ų211107.1 Ų107.180%0.79667%0.67SS**Hα-helixtrans-71.9-24.4172.2-126.8178.3-176.7177.80.7113.2V306 M307 C308 S313V306-R310 WeakPolarHBondContact O-CB 3.26Å; V306-R310 PolarHBondContact O-N 3.26Å; M307-R310 PolarHBondContact O-N 2.71Å; C308-R310 VanDerWaalsContact C-N 3.32Å; C308-R310 PolarHBondContact O-N 2.9Å; R310-S313 PolarHBondContact O-OG 3.3Å
311K49.2Very low53.9Low187 Ų187111.3 Ų111.381%0.81369%0.693SS**Hα-helixtrans-88.5-21.4177.5-163.3170.5-177.6178.90113.1M307 C308 R309M307-K311 WeakPolarHBondContact O-CB 3.37Å; M307-K311 PolarHBondContact O-N 3.29Å; C308-K311 PolarHBondContact O-N 3.17Å; C308-K311 VanDerWaalsContact O-N 3.07Å; R309-K311 VanDerWaalsContact C-N 3.32Å
312S50.6Low52Low93 Ų93117.8 Ų117.865%0.6571%0.714SS**SBendtrans-85.91.3178.262.80000115C308 R309C308-S312 PolarHBondContact O-N 2.65Å; C308-S312 PolarHBondContact O-OG 2.93Å; R309-S312 WeakPolarHBondContact CA-OG 3.39Å; R309-S312 PolarHBondContact O-OG 3.21Å; R309-S312 VanDerWaalsContact O-OG 3.14Å
313S47.1Very low49.6Very low103 Ų103118.1 Ų118.172%0.7273%0.725SS**SBendtrans-95.626.6-177.669.40000114.4R310R310-S313 PolarHBondContact O-OG 3.3Å
314G46.5Very low47.7Very low70 Ų70118.6 Ų118.672%0.72274%0.738SS**SBendtrans-162.6105.6179.300000113.2
315G36Very low45.9Very low82 Ų82121.4 Ų121.485%0.84576%0.755SS**  trans149.3117.6176.300000112.3
316K35.6Very low44.1Very low220 Ų220122.4 Ų122.496%0.95777%0.765SS**  trans-147.3128.6-179.4179.2178.21791790110.7
317G34.7Very low42.3Very low80 Ų80125.2 Ų125.283%0.82578%0.777SS**  trans117.4149.9165.900000115.5
318G30.9Very low40.8Very low87 Ų87123.5 Ų123.590%0.89778%0.778SS**  trans120.3121.6179.600000112.2
319S34.6Very low39.5Very low113 Ų113122.9 Ų122.979%0.7978%0.779SS**  trans-144.6147.3-176.8-170.50000112.5
320C36Very low38.2Very low118 Ų118123.2 Ų123.280%0.79779%0.789SS**  trans23.4135.7161.4-64.90000122.7
321S30.8Very low37.1Very low130 Ų130116.5 Ų116.591%0.90979%0.785SS**  trans-143154.2136.3-83.20000109.1
322Q38.8Very low36.5Very low190 Ų190112.9 Ų112.989%0.88878%0.783SS**  trans-144.9140.7-164.8179.2-174.51.900113.4
323A28.1Very low35.7Very low90 Ų90115.5 Ų115.574%0.74479%0.79SS**  trans-151.8128.9154.600000106.6
324A35.5Very low35.2Very low94 Ų94119.1 Ų119.178%0.77780%0.796SS**  67.9126.655.600000112.3
325S34.5Very low34.5Very low112 Ų112121.2 Ų121.278%0.78380%0.799SS**  cis-159-178-7.873.20000107.9
326S36.9Very low34.8Very low99 Ų99125.9 Ų125.969%0.69280%0.804SS**  cis-155.6-157.54.345.10000106.8
327N34.1Very low34.7Very low143 Ų143123.3 Ų123.377%0.76580%0.799SS**  cis-159.8-166.45.9-150.8-3.4000112.4
328S38.3Very low34.8Very low96 Ų96123.6 Ų123.667%0.67179%0.793SS**  trans-63.6175.3169.5620000115.6
329A34.4Very low34.8Very low74 Ų74125.9 Ų125.961%0.61279%0.794SS**  cis-157.4-173.71700000113.3
330Q34.7Very low34.9Very low196 Ų196133.7 Ų133.792%0.91681%0.814SS**  trans11.6150.3151.9-68.6154.1-6500121
331G30.8Very low34.8Very low69 Ų69134.5 Ų134.571%0.71182%0.815SS**  cis151.3151.5200000111.9
332S37.1Very low35Very low111 Ų111134.7 Ų134.778%0.77681%0.81SS**  trans49.4128.5162.4-73.40000123.2
333D34.9Very low34.8Very low148 Ų148131.7 Ų131.779%0.79181%0.805SS**  trans85.2141.7135.5-56.6-25.9000124.8
334E35.3Very low35.2Very low180 Ų180134.1 Ų134.184%0.84181%0.809SS**  trans7.4136164.5-58.4-165.4105.300122.8
335S31.6Very low35.2Very low114 Ų114136.6 Ų136.680%0.79781%0.811SS**  163.614097.151.30000112.8
336L43.6Very low35.2Very low179 Ų179138.3 Ų138.394%0.93781%0.813SS**  trans-88.4119.2168.2-80.7161.3000109.8
337I32.2Very low35.1Very low167 Ų167141.1 Ų141.186%0.85682%0.822SS**  trans-136.6133.3152-63.5-173.6000108.7
338A38.3Very low35.2Very low86 Ų86140.9 Ų140.971%0.71183%0.826SS**  trans-111.5143.7172.400000110.4
339C30.5Very low34.9Very low135 Ų135144.7 Ų144.791%0.91284%0.839SS**  trans178.3121.1144.6-970000110.4
340K35.7Very low35Very low277 Ų277151.1 Ų151.1100%1.20486%0.859SS**  -156.3087.6-151.7168.4-174.4175.80111.1

Retrieved 340 of 340 residues in 1482.7 ms (Link to these results)

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