A0A087X5E3_POEFO Loading...

L-aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase

AlphaFold DB , UniProt , Accession A0A087X5E3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 295 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
1M73.3Confident93.6Very high76 Ų7629.9 Ų29.937%0.37416%0.164SC..  0118.20-72.4176171.900108.8P93 Q112 S242 A244M1-P93 HydrophobicContact CE-CG 4.43Å; M1-Q112 HydrophobicContact CB-CB 4.32Å; M1-Q112 HydrophobicContact CG-CB 4.45Å; M1-S242 WeakPolarHBondContact CE-OG 3.49Å; M1-A244 HydrophobicContact CE-CB 3.48Å; M1-A244 VanDerWaalsContact CE-CB 3.48Å; M1-A244 HydrophobicContact SD-CB 4.25Å
2G85.5Confident93.7Very high23 Ų2333.7 Ų33.724%0.23719%0.194CC..  trans-68.9147.817100000111.8W95 Q112G2-W95 WeakPolarHBondContact O-CH2 3.49Å; G2-W95 WeakPolarHBondContact O-CZ3 3.42Å; G2-Q112 PolarHBondContact O-N 3.07Å; G2-Q112 VanDerWaalsContact O-N 3.14Å
3S92.9Very high93.9Very high40 Ų4032.5 Ų32.528%0.2818%0.184SC..EExtended strand (participates in β ladder)trans-137.2141.1176.3179.70000109R5 Q111S3-R5 PolarHBondContact OG-NH1 3.4Å; S3-Q111 PolarHBondContact OG-OE1 3.47Å; S3-Q111 VanDerWaalsContact OG-OE1 3.06Å
4V96.1Very high94Very high8 Ų839.2 Ų39.25%0.04823%0.226CC..EExtended strand (participates in β ladder)trans-132.2132.31751790000109.6W6 F57 M61 W95 L108 A109 A110V4-W6 HydrophobicContact CG1-CB 4.46Å; V4-W6 HydrophobicContact CG1-CD2 3.42Å; V4-W6 VanDerWaalsContact CG1-CD2 3.42Å; V4-W6 VanDerWaalsContact CG1-CE2 3.46Å; V4-W6 HydrophobicContact CG1-CE3 3.93Å; V4-W6 HydrophobicContact CG1-CG 3.66Å; V4-W6 HydrophobicContact CG1-CH2 4.45Å; V4-W6 HydrophobicContact CG1-CZ2 4Å; V4-W6 HydrophobicContact CG1-CZ3 4.42Å; V4-F57 HydrophobicContact CB-CD2 4.33Å; V4-F57 HydrophobicContact CB-CE2 4.41Å; V4-F57 HydrophobicContact CG1-CD2 4.37Å; V4-F57 HydrophobicContact CG2-CD2 4.04Å; V4-F57 HydrophobicContact CG2-CE2 3.95Å; V4-M61 HydrophobicContact CG2-CE 3.99Å; V4-M61 HydrophobicContact CG2-CG 3.97Å; V4-M61 HydrophobicContact CG2-SD 4.2Å; V4-W95 HydrophobicContact CG2-CH2 4.15Å; V4-W95 HydrophobicContact CG2-CZ3 4.27Å; V4-L108 HydrophobicContact CG1-CD2 3.98Å; V4-A109 WeakPolarHBondContact O-CA 3.15Å; V4-A110 HydrophobicContact CB-CB 4.1Å; V4-A110 PolarHBondContact N-O 3.41Å; V4-A110 PolarHBondContact O-N 3.23Å
5R97.6Very high94.2Very high7 Ų737.5 Ų37.53%0.02622%0.217CC..EExtended strand (participates in β ladder)trans-134.697.1172.3-59.4-66.7180-80.2-6.7107.7S3 A110 E221 A250 F252 T253S3-R5 PolarHBondContact OG-NH1 3.4Å; R5-A110 PolarHBondContact NH1-O 3.29Å; R5-E221 IonicContact CZ-OE2 3.72Å; R5-E221 VanDerWaalsContact CZ-OE2 3.23Å; R5-E221 IonicContact NE-OE2 2.75Å; R5-E221 PolarHBondContact NE-OE2 2.96Å; R5-E221 IonicContact NH2-OE1 3.07Å; R5-E221 PolarHBondContact NH2-OE1 3.08Å; R5-E221 IonicContact NH2-OE2 3.84Å; R5-E221 PolarHBondContact NH2-OE2 3.43Å; R5-A250 HydrophobicContact CG-CB 3.96Å; R5-F252 HydrophobicContact CB-CD1 3.99Å; R5-F252 HydrophobicContact CB-CD2 4.22Å; R5-F252 HydrophobicContact CB-CE1 4.1Å; R5-F252 HydrophobicContact CB-CE2 4.33Å; R5-F252 HydrophobicContact CB-CG 4.04Å; R5-F252 HydrophobicContact CB-CZ 4.27Å; R5-F252 WeakPolarHBondContact O-CA 3.31Å; R5-T253 PolarHBondContact O-N 3.08Å
6W98.5Very high94.4Very high30 Ų3038.2 Ų38.211%0.11423%0.225CC..EExtended strand (participates in β ladder)trans-117.7141.1-178.4-68.8-18.9000111.2V4 L53 K56 F57 M61 V107 L108 F252 T253 L255V4-W6 HydrophobicContact CG1-CB 4.46Å; V4-W6 HydrophobicContact CG1-CD2 3.42Å; V4-W6 VanDerWaalsContact CG1-CD2 3.42Å; V4-W6 VanDerWaalsContact CG1-CE2 3.46Å; V4-W6 HydrophobicContact CG1-CE3 3.93Å; V4-W6 HydrophobicContact CG1-CG 3.66Å; V4-W6 HydrophobicContact CG1-CH2 4.45Å; V4-W6 HydrophobicContact CG1-CZ2 4Å; V4-W6 HydrophobicContact CG1-CZ3 4.42Å; W6-L53 HydrophobicContact CB-CD2 3.89Å; W6-L53 HydrophobicContact CE3-CD2 4.37Å; W6-K56 HydrophobicContact CE3-CD 4.15Å; W6-K56 HydrophobicContact CH2-CD 4.04Å; W6-K56 HydrophobicContact CH2-CG 3.95Å; W6-K56 HydrophobicContact CZ3-CB 4.09Å; W6-K56 HydrophobicContact CZ3-CD 3.67Å; W6-K56 HydrophobicContact CZ3-CG 3.64Å; W6-F57 HydrophobicContact CE3-CB 4.47Å; W6-F57 HydrophobicContact CZ3-CB 3.88Å; W6-M61 HydrophobicContact CH2-CG 4.44Å; W6-V107 CarbonylContact O-C 3.53Å; W6-V107 VanDerWaalsContact O-CA 3.3Å; W6-V107 WeakPolarHBondContact O-CA 3.38Å; W6-L108 PolarHBondContact N-O 3.05Å; W6-L108 PolarHBondContact O-N 3.24Å; W6-F252 WeakPolarHBondContact O-CD1 3.21Å; W6-T253 WeakPolarHBondContact CA-O 3.49Å; W6-L255 HydrophobicContact CB-CD1 4.21Å; W6-L255 HydrophobicContact CD2-CD1 4.14Å; W6-L255 HydrophobicContact CE3-CD1 4.27Å; W6-L255 HydrophobicContact CG-CD1 4.13Å
7G98.3Very high94.6Very high0 Ų042.8 Ų42.80%024%0.237CC..EExtended strand (participates in β ladder)trans-129154.7173.100000110.9A106 T253 L254 L255G7-A106 CarbonylContact C-O 3.53Å; G7-A106 WeakPolarHBondContact CA-O 3.39Å; G7-T253 PolarHBondContact N-O 3.23Å; G7-L254 CarbonylContact O-C 3.58Å; G7-L254 WeakPolarHBondContact O-CA 3.44Å; G7-L255 PolarHBondContact O-N 3.3Å
8F98.6Very high94.7Very high9 Ų944.9 Ų44.94%0.03926%0.256CS..EExtended strand (participates in β ladder)trans-137.3125.2171.6179.5-97.5000109C10 W13 A49 L53 Y105 A106 L255 F257 L260F8-C10 VanDerWaalsContact C-N 3.29Å; F8-C10 HydrophobicContact CD1-CB 3.89Å; F8-C10 HydrophobicContact CE1-CB 4.02Å; F8-C10 PolarHBondContact O-N 2.79Å; F8-W13 HydrophobicContact CE1-CB 3.98Å; F8-W13 AromaticContact CE1-CD2 3.9Å; F8-W13 HydrophobicContact CE1-CD2 3.9Å; F8-W13 AromaticContact CE1-CE3 3.8Å; F8-W13 HydrophobicContact CE1-CE3 3.8Å; F8-W13 HydrophobicContact CE1-CG 4Å; F8-W13 HydrophobicContact CZ-CB 3.99Å; F8-W13 AromaticContact CZ-CD2 3.84Å; F8-W13 HydrophobicContact CZ-CD2 3.84Å; F8-W13 HydrophobicContact CZ-CE3 4.19Å; F8-W13 AromaticContact CZ-CG 3.75Å; F8-W13 HydrophobicContact CZ-CG 3.75Å; F8-A49 HydrophobicContact CD1-CB 3.41Å; F8-A49 VanDerWaalsContact CD1-CB 3.41Å; F8-A49 HydrophobicContact CE1-CB 3.94Å; F8-A49 HydrophobicContact CG-CB 4.25Å; F8-L53 HydrophobicContact CB-CD1 4.27Å; F8-Y105 WeakPolarHBondContact O-CA 3.33Å; F8-A106 PolarHBondContact N-O 3.26Å; F8-A106 PolarHBondContact O-N 3.32Å; F8-L255 VanDerWaalsContact CD2-O 3.24Å; F8-L255 WeakPolarHBondContact CD2-O 3.14Å; F8-F257 HydrophobicContact CE2-CB 4.27Å; F8-F257 HydrophobicContact CZ-CB 4.5Å; F8-L260 HydrophobicContact CD1-CD2 4.38Å; F8-L260 HydrophobicContact CD2-CD2 3.81Å; F8-L260 HydrophobicContact CE1-CD2 4.48Å; F8-L260 HydrophobicContact CE2-CD2 3.95Å; F8-L260 HydrophobicContact CG-CD2 4.04Å; F8-L260 HydrophobicContact CZ-CD2 4.27Å
9R98.1Very high94.9Very high110 Ų11046 Ų4642%0.41526%0.259SS..  trans-81.174.8-178.9-166.8-176.4-82.2178.7-4.5110.7G11 S12 W13 D104 Y105R9-G11 PolarHBondContact O-N 3.03Å; R9-S12 WeakPolarHBondContact CD-OG 3.33Å; R9-S12 WeakPolarHBondContact CG-OG 3.44Å; R9-S12 PolarHBondContact O-N 3.3Å; R9-S12 PolarHBondContact O-OG 2.84Å; R9-W13 PolarHBondContact O-N 3.48Å; R9-D104 CarbonylContact C-O 3.54Å; R9-D104 VanDerWaalsContact CA-O 3.3Å; R9-D104 WeakPolarHBondContact CA-O 3.26Å; R9-D104 HydrophobicContact CG-CB 4.5Å; R9-Y105 HydrophobicContact CB-CD1 4.05Å; R9-Y105 HydrophobicContact CB-CE1 3.77Å; R9-Y105 HydrophobicContact CG-CD1 4.32Å; R9-Y105 HydrophobicContact CG-CE1 3.87Å; R9-Y105 HydrophobicContact CG-CE2 4.44Å; R9-Y105 PolarHBondContact NE-OH 3.3Å; R9-Y105 PolarHBondContact NH2-OH 3.46Å
10C96.6Very high95Very high1 Ų143.8 Ų43.81%0.00725%0.246CC..  trans-62.5-24.2179.258.90000114.8F8 W13 K45 S46 A49 D104F8-C10 VanDerWaalsContact C-N 3.29Å; F8-C10 HydrophobicContact CD1-CB 3.89Å; F8-C10 HydrophobicContact CE1-CB 4.02Å; F8-C10 PolarHBondContact O-N 2.79Å; C10-W13 WeakPolarHBondContact O-CB 3.28Å; C10-W13 PolarHBondContact O-N 2.69Å; C10-K45 HydrophobicContact CB-CB 4.41Å; C10-K45 PolarHBondContact O-NZ 2.99Å; C10-S46 PolarHBondContact SG-OG 2.63Å; C10-A49 HydrophobicContact CB-CB 4.15Å; C10-D104 PolarHBondContact N-O 2.87Å; C10-D104 VanDerWaalsContact SG-C 3.59Å; C10-D104 PolarHBondContact SG-O 3.45Å
11G94.5Very high95.2Very high25 Ų2541.8 Ų41.826%0.25824%0.235SC..THydrogen-bonded Turntrans-63-43.5177.800000112.7R9 W13 K45 D104R9-G11 PolarHBondContact O-N 3.03Å; G11-W13 VanDerWaalsContact C-N 3.35Å; G11-K45 PolarHBondContact O-NZ 3.22Å; G11-D104 PolarHBondContact N-O 3.31Å
12S93.9Very high96.4Very high75 Ų7540.9 Ų40.952%0.52423%0.229SC..THydrogen-bonded Turntrans-88-0.3177.259.90000114.1R9 T14R9-S12 WeakPolarHBondContact CD-OG 3.33Å; R9-S12 WeakPolarHBondContact CG-OG 3.44Å; R9-S12 PolarHBondContact O-N 3.3Å; R9-S12 PolarHBondContact O-OG 2.84Å; S12-T14 PolarHBondContact O-N 3.47Å
13W96.8Very high97Very high18 Ų1839.8 Ų39.87%0.06822%0.217CC..  trans-74.4117.6178.8-179.636.7000110.4F8 R9 C10 G11 P15 W20 A23 K45 M48 F257F8-W13 HydrophobicContact CE1-CB 3.98Å; F8-W13 AromaticContact CE1-CD2 3.9Å; F8-W13 HydrophobicContact CE1-CD2 3.9Å; F8-W13 AromaticContact CE1-CE3 3.8Å; F8-W13 HydrophobicContact CE1-CE3 3.8Å; F8-W13 HydrophobicContact CE1-CG 4Å; F8-W13 HydrophobicContact CZ-CB 3.99Å; F8-W13 AromaticContact CZ-CD2 3.84Å; F8-W13 HydrophobicContact CZ-CD2 3.84Å; F8-W13 HydrophobicContact CZ-CE3 4.19Å; F8-W13 AromaticContact CZ-CG 3.75Å; F8-W13 HydrophobicContact CZ-CG 3.75Å; R9-W13 PolarHBondContact O-N 3.48Å; C10-W13 WeakPolarHBondContact O-CB 3.28Å; C10-W13 PolarHBondContact O-N 2.69Å; G11-W13 VanDerWaalsContact C-N 3.35Å; W13-P15 HydrophobicContact CD2-CB 4.44Å; W13-P15 HydrophobicContact CD2-CG 4.26Å; W13-P15 HydrophobicContact CZ2-CB 3.68Å; W13-P15 HydrophobicContact CZ2-CG 4.04Å; W13-P15 WeakPolarHBondContact O-CD 3.49Å; W13-W20 AromaticContact CH2-CE3 3.76Å; W13-W20 HydrophobicContact CH2-CE3 3.76Å; W13-W20 AromaticContact CH2-CZ3 3.8Å; W13-W20 HydrophobicContact CH2-CZ3 3.8Å; W13-W20 HydrophobicContact CZ2-CE3 4.38Å; W13-W20 HydrophobicContact CZ3-CE3 4.24Å; W13-W20 AromaticContact CZ3-CZ3 3.85Å; W13-W20 HydrophobicContact CZ3-CZ3 3.85Å; W13-A23 HydrophobicContact CH2-CB 4.46Å; W13-K45 HydrophobicContact CB-CD 4.48Å; W13-K45 HydrophobicContact CE3-CB 3.93Å; W13-K45 HydrophobicContact CE3-CD 4.09Å; W13-K45 HydrophobicContact CE3-CG 3.82Å; W13-K45 HydrophobicContact CZ3-CB 4.19Å; W13-K45 HydrophobicContact CZ3-CG 4.11Å; W13-K45 WeakPolarHBondContact O-CD 3.45Å; W13-K45 PolarHBondContact O-NZ 2.88Å; W13-K45 VanDerWaalsContact O-NZ 3.08Å; W13-M48 HydrophobicContact CH2-CG 4.02Å; W13-M48 HydrophobicContact CZ3-CB 4.28Å; W13-M48 HydrophobicContact CZ3-CG 4.23Å; W13-F257 AromaticContact CE2-CD2 3.86Å; W13-F257 HydrophobicContact CH2-CE2 4.17Å; W13-F257 AromaticContact CZ2-CD2 3.68Å; W13-F257 HydrophobicContact CZ2-CD2 3.68Å; W13-F257 AromaticContact CZ2-CE2 3.48Å; W13-F257 HydrophobicContact CZ2-CE2 3.48Å; W13-F257 VanDerWaalsContact CZ2-CE2 3.48Å; W13-F257 HydrophobicContact CZ2-CZ 4.26Å; W13-F257 AromaticContact NE1-CD2 3.9Å
14T95.9Very high97.2Very high127 Ų12738 Ų3878%0.77921%0.205SC*.  trans-116.676.2177.443.50000109S12 S16S12-T14 PolarHBondContact O-N 3.47Å; T14-S16 PolarHBondContact O-N 3.27Å
15P96.6Very high97.3Very high13 Ų1340.6 Ų40.68%0.08421%0.214CC..  trans-63.8137.2-174.123.9-31.5000111.5W13 E19 W20 W275 F278W13-P15 HydrophobicContact CD2-CB 4.44Å; W13-P15 HydrophobicContact CD2-CG 4.26Å; W13-P15 HydrophobicContact CZ2-CB 3.68Å; W13-P15 HydrophobicContact CZ2-CG 4.04Å; W13-P15 WeakPolarHBondContact O-CD 3.49Å; P15-E19 HydrophobicContact CB-CB 4.19Å; P15-W20 HydrophobicContact CB-CB 4.12Å; P15-W20 HydrophobicContact CG-CB 4.38Å; P15-W20 HydrophobicContact CG-CE3 3.99Å; P15-W275 WeakPolarHBondContact O-CH2 3.34Å; P15-F278 HydrophobicContact CG-CE1 4.03Å; P15-F278 HydrophobicContact CG-CZ 4.18Å
16S97.3Very high97.3Very high49 Ų4940.2 Ų40.234%0.34321%0.213SC..  trans-64.6164.3160.364.20000111.1T14 S18 E19 W20T14-S16 PolarHBondContact O-N 3.27Å; S16-S18 VanDerWaalsContact C-N 3.28Å; S16-S18 PolarHBondContact O-N 3.44Å; S16-S18 PolarHBondContact OG-OG 2.98Å; S16-S18 VanDerWaalsContact OG-OG 3.13Å; S16-E19 WeakPolarHBondContact CB-OE2 3.35Å; S16-E19 PolarHBondContact N-OE2 3.21Å; S16-E19 PolarHBondContact O-N 2.69Å; S16-E19 WeakPolarHBondContact OG-CB 3.29Å; S16-E19 VanDerWaalsContact OG-CD 3.29Å; S16-E19 WeakPolarHBondContact OG-CG 3.42Å; S16-E19 PolarHBondContact OG-N 3.12Å; S16-E19 PolarHBondContact OG-OE2 3.46Å; S16-W20 PolarHBondContact O-N 3.23Å
17R97.4Very high97.2Very high116 Ų11638.9 Ų38.944%0.43821%0.208SC..Hα-helixtrans-52.5-46.8175.1177.4171.1-176-109.7-1.3112L21 W275R17-L21 HydrophobicContact CG-CD1 3.8Å; R17-L21 HydrophobicContact CG-CG 4.44Å; R17-L21 WeakPolarHBondContact O-CB 3.25Å; R17-L21 VanDerWaalsContact O-CG 3.25Å; R17-L21 WeakPolarHBondContact O-CG 3.38Å; R17-L21 PolarHBondContact O-N 3.3Å; R17-W275 HydrophobicContact CB-CD2 3.83Å; R17-W275 HydrophobicContact CB-CE3 4.34Å; R17-W275 HydrophobicContact CB-CG 4.16Å; R17-W275 HydrophobicContact CB-CH2 4.47Å; R17-W275 HydrophobicContact CB-CZ2 3.99Å; R17-W275 HydrophobicContact CG-CB 4.21Å; R17-W275 HydrophobicContact CG-CD2 3.85Å; R17-W275 HydrophobicContact CG-CG 3.63Å
18S97.3Very high97.1Very high82 Ų8239.6 Ų39.657%0.57321%0.211SC*.Hα-helixtrans-63.9-42.2180410000112.2S16 F22S16-S18 VanDerWaalsContact C-N 3.28Å; S16-S18 PolarHBondContact O-N 3.44Å; S16-S18 PolarHBondContact OG-OG 2.98Å; S16-S18 VanDerWaalsContact OG-OG 3.13Å; S18-F22 WeakPolarHBondContact O-CB 3.46Å; S18-F22 PolarHBondContact O-N 3.26Å
19E97.7Very high97Very high65 Ų6542.9 Ų42.930%0.30423%0.226SC..Hα-helixtrans-67.2-43.8-179.8-70.9168.7131.800111.8P15 S16 F22 A23 F257P15-E19 HydrophobicContact CB-CB 4.19Å; S16-E19 WeakPolarHBondContact CB-OE2 3.35Å; S16-E19 PolarHBondContact N-OE2 3.21Å; S16-E19 PolarHBondContact O-N 2.69Å; S16-E19 WeakPolarHBondContact OG-CB 3.29Å; S16-E19 VanDerWaalsContact OG-CD 3.29Å; S16-E19 WeakPolarHBondContact OG-CG 3.42Å; S16-E19 PolarHBondContact OG-N 3.12Å; S16-E19 PolarHBondContact OG-OE2 3.46Å; E19-F22 PolarHBondContact O-N 3.26Å; E19-A23 VanDerWaalsContact O-CB 3.3Å; E19-A23 WeakPolarHBondContact O-CB 3.19Å; E19-A23 PolarHBondContact O-N 3.24Å; E19-F257 HydrophobicContact CB-CD1 4.24Å; E19-F257 HydrophobicContact CB-CE1 3.59Å; E19-F257 HydrophobicContact CB-CZ 3.94Å; E19-F257 HydrophobicContact CG-CD1 3.94Å; E19-F257 HydrophobicContact CG-CE1 3.57Å; E19-F257 HydrophobicContact CG-CZ 4.42Å
20W98.1Very high96.8Very high1 Ų142.1 Ų42.10%0.00423%0.228CC..Hα-helixtrans-65.2-45.4179-176.7-105.2000112.2W13 P15 S16 F22 A23 A24 I35 A44 K45 M48 Y274 W275 F278W13-W20 AromaticContact CH2-CE3 3.76Å; W13-W20 HydrophobicContact CH2-CE3 3.76Å; W13-W20 AromaticContact CH2-CZ3 3.8Å; W13-W20 HydrophobicContact CH2-CZ3 3.8Å; W13-W20 HydrophobicContact CZ2-CE3 4.38Å; W13-W20 HydrophobicContact CZ3-CE3 4.24Å; W13-W20 AromaticContact CZ3-CZ3 3.85Å; W13-W20 HydrophobicContact CZ3-CZ3 3.85Å; P15-W20 HydrophobicContact CB-CB 4.12Å; P15-W20 HydrophobicContact CG-CB 4.38Å; P15-W20 HydrophobicContact CG-CE3 3.99Å; S16-W20 PolarHBondContact O-N 3.23Å; W20-F22 VanDerWaalsContact C-N 3.35Å; W20-A23 PolarHBondContact O-N 3.2Å; W20-A24 WeakPolarHBondContact O-CB 3.37Å; W20-A24 PolarHBondContact O-N 3.44Å; W20-I35 HydrophobicContact CH2-CG2 4.12Å; W20-I35 HydrophobicContact CZ2-CG2 4.22Å; W20-A44 HydrophobicContact CH2-CB 3.98Å; W20-A44 HydrophobicContact CZ2-CB 4.36Å; W20-K45 HydrophobicContact CZ3-CG 4.27Å; W20-M48 HydrophobicContact CH2-CB 4.18Å; W20-M48 HydrophobicContact CH2-CE 4.11Å; W20-M48 HydrophobicContact CZ2-CE 4.26Å; W20-M48 HydrophobicContact CZ3-CB 4.08Å; W20-M48 HydrophobicContact CZ3-CE 4.37Å; W20-M48 HydrophobicContact CZ3-CG 4.17Å; W20-Y274 AromaticContact CD1-CD1 3.79Å; W20-Y274 AromaticContact CE2-CE1 3.6Å; W20-Y274 AromaticContact CZ2-CE1 3.76Å; W20-Y274 HydrophobicContact CZ2-CE1 3.76Å; W20-Y274 AromaticContact NE1-CD1 3.24Å; W20-Y274 AromaticContact NE1-CE1 3.15Å; W20-W275 HydrophobicContact CB-CE3 3.68Å; W20-W275 HydrophobicContact CB-CZ3 3.75Å; W20-W275 AromaticContact CD1-CE3 3.78Å; W20-W275 AromaticContact CG-CE3 3.91Å; W20-W275 HydrophobicContact CG-CE3 3.91Å; W20-W275 HydrophobicContact CG-CZ3 4.19Å; W20-F278 HydrophobicContact CD2-CD1 4.02Å; W20-F278 HydrophobicContact CD2-CD2 4.17Å; W20-F278 HydrophobicContact CD2-CE1 4.19Å; W20-F278 HydrophobicContact CD2-CE2 4.34Å; W20-F278 HydrophobicContact CD2-CG 4.01Å; W20-F278 HydrophobicContact CD2-CZ 4.35Å; W20-F278 AromaticContact CE2-CD1 4Å; W20-F278 AromaticContact CE2-CD2 3.56Å; W20-F278 AromaticContact CE2-CG 3.5Å; W20-F278 VanDerWaalsContact CE2-CG 3.5Å; W20-F278 HydrophobicContact CE3-CE1 4.37Å; W20-F278 HydrophobicContact CE3-CE2 4.24Å; W20-F278 HydrophobicContact CE3-CZ 4.17Å; W20-F278 HydrophobicContact CG-CD1 4.1Å; W20-F278 HydrophobicContact CG-CE1 4.48Å; W20-F278 HydrophobicContact CG-CG 4.35Å; W20-F278 AromaticContact CH2-CD2 3.76Å; W20-F278 HydrophobicContact CH2-CD2 3.76Å; W20-F278 AromaticContact CH2-CE2 3.7Å; W20-F278 HydrophobicContact CH2-CE2 3.7Å; W20-F278 HydrophobicContact CH2-CZ 4.42Å; W20-F278 HydrophobicContact CZ2-CB 4.21Å; W20-F278 AromaticContact CZ2-CD2 3.34Å; W20-F278 HydrophobicContact CZ2-CD2 3.34Å; W20-F278 AromaticContact CZ2-CE2 3.8Å; W20-F278 HydrophobicContact CZ2-CE2 3.8Å; W20-F278 AromaticContact CZ2-CG 3.8Å; W20-F278 HydrophobicContact CZ2-CG 3.8Å; W20-F278 HydrophobicContact CZ3-CD2 4.32Å; W20-F278 AromaticContact CZ3-CE2 3.93Å; W20-F278 HydrophobicContact CZ3-CE2 3.93Å; W20-F278 HydrophobicContact CZ3-CZ 4.2Å; W20-F278 VanDerWaalsContact NE1-CB 3.34Å; W20-F278 AromaticContact NE1-CG 3.52Å
21L97.9Very high96.7Very high3 Ų342.7 Ų42.72%0.01623%0.23CC..Hα-helixtrans-65.8-38.8177.6-69.3178.5000111.7R17 A24 R25 E270 D271 W275R17-L21 HydrophobicContact CG-CD1 3.8Å; R17-L21 HydrophobicContact CG-CG 4.44Å; R17-L21 WeakPolarHBondContact O-CB 3.25Å; R17-L21 VanDerWaalsContact O-CG 3.25Å; R17-L21 WeakPolarHBondContact O-CG 3.38Å; R17-L21 PolarHBondContact O-N 3.3Å; L21-A24 PolarHBondContact O-N 2.88Å; L21-R25 WeakPolarHBondContact O-CD 3.37Å; L21-R25 VanDerWaalsContact O-CG 3.25Å; L21-R25 WeakPolarHBondContact O-CG 3.25Å; L21-R25 PolarHBondContact O-N 3.47Å; L21-R25 VanDerWaalsContact O-N 3.12Å; L21-E270 HydrophobicContact CB-CG 4.33Å; L21-E270 HydrophobicContact CD1-CG 4.09Å; L21-D271 WeakPolarHBondContact CD2-O 3.34Å; L21-W275 HydrophobicContact CD1-CB 4.24Å; L21-W275 HydrophobicContact CD2-CB 3.82Å; L21-W275 HydrophobicContact CG-CB 4.04Å
22F98.2Very high96.8Very high56 Ų5642 Ų4225%0.24622%0.22CC..Hα-helixtrans-63.2-49.5174-175.9-96.3000111.5S18 E19 W20 A24 R25 C26 I261 A264 P266S18-F22 WeakPolarHBondContact O-CB 3.46Å; S18-F22 PolarHBondContact O-N 3.26Å; E19-F22 PolarHBondContact O-N 3.26Å; W20-F22 VanDerWaalsContact C-N 3.35Å; F22-A24 VanDerWaalsContact C-N 3.29Å; F22-A24 PolarHBondContact O-N 3.25Å; F22-R25 WeakPolarHBondContact O-CB 3.43Å; F22-R25 PolarHBondContact O-N 3.17Å; F22-R25 VanDerWaalsContact O-N 3.07Å; F22-C26 VanDerWaalsContact CE1-SG 3.56Å; F22-C26 PolarHBondContact O-N 2.97Å; F22-C26 VanDerWaalsContact O-N 3.12Å; F22-C26 PolarHBondContact O-SG 3.49Å; F22-C26 VanDerWaalsContact O-SG 3.33Å; F22-I261 HydrophobicContact CD1-CD1 3.68Å; F22-I261 HydrophobicContact CE1-CB 4.07Å; F22-I261 HydrophobicContact CE1-CD1 3.54Å; F22-I261 HydrophobicContact CE1-CG1 4.38Å; F22-I261 HydrophobicContact CE1-CG2 4.46Å; F22-A264 HydrophobicContact CE1-CB 4.27Å; F22-P266 HydrophobicContact CE2-CG 3.95Å
23A98.1Very high96.9Very high0 Ų042.3 Ų42.30%022%0.216CC..Hα-helixtrans-55.5-43.8176.200000112.1W13 E19 W20 R25 C26 M48 L52 F257W13-A23 HydrophobicContact CH2-CB 4.46Å; E19-A23 VanDerWaalsContact O-CB 3.3Å; E19-A23 WeakPolarHBondContact O-CB 3.19Å; E19-A23 PolarHBondContact O-N 3.24Å; W20-A23 PolarHBondContact O-N 3.2Å; A23-R25 VanDerWaalsContact C-N 3.29Å; A23-R25 PolarHBondContact O-N 3.4Å; A23-C26 PolarHBondContact O-N 2.86Å; A23-M48 HydrophobicContact CB-CE 4.37Å; A23-M48 HydrophobicContact CB-CG 4.03Å; A23-M48 HydrophobicContact CB-SD 3.98Å; A23-L52 HydrophobicContact CB-CD1 4.03Å; A23-F257 HydrophobicContact CB-CE2 4.18Å; A23-F257 HydrophobicContact CB-CZ 4.19Å
24A97.8Very high96.8Very high2 Ų247.1 Ų47.12%0.01723%0.234CC..Hα-helixtrans-62.4-34.5177.900000113.2W20 L21 F22 C26 V27 K32 M48 Y274W20-A24 WeakPolarHBondContact O-CB 3.37Å; W20-A24 PolarHBondContact O-N 3.44Å; L21-A24 PolarHBondContact O-N 2.88Å; F22-A24 VanDerWaalsContact C-N 3.29Å; F22-A24 PolarHBondContact O-N 3.25Å; A24-C26 VanDerWaalsContact C-N 3.3Å; A24-V27 WeakPolarHBondContact O-CG2 3.37Å; A24-K32 HydrophobicContact CB-CG 4.46Å; A24-M48 HydrophobicContact CB-CE 4.04Å; A24-Y274 HydrophobicContact CB-CD1 3.58Å; A24-Y274 HydrophobicContact CB-CE1 3.45Å; A24-Y274 VanDerWaalsContact CB-CE1 3.45Å; A24-Y274 HydrophobicContact CB-CG 4.47Å
25R97.9Very high96.8Very high63 Ų6341.1 Ų41.124%0.23820%0.197CC..Hα-helixtrans-74.5-22.5175-66.5163.665.9-166.6-6.9112.3L21 F22 A23 V27 P266 L267 T268 E270L21-R25 WeakPolarHBondContact O-CD 3.37Å; L21-R25 VanDerWaalsContact O-CG 3.25Å; L21-R25 WeakPolarHBondContact O-CG 3.25Å; L21-R25 PolarHBondContact O-N 3.47Å; L21-R25 VanDerWaalsContact O-N 3.12Å; F22-R25 WeakPolarHBondContact O-CB 3.43Å; F22-R25 PolarHBondContact O-N 3.17Å; F22-R25 VanDerWaalsContact O-N 3.07Å; A23-R25 VanDerWaalsContact C-N 3.29Å; A23-R25 PolarHBondContact O-N 3.4Å; R25-V27 VanDerWaalsContact C-N 3.32Å; R25-P266 HydrophobicContact CB-CB 4.08Å; R25-P266 CarbonylContact O-C 3.5Å; R25-L267 WeakPolarHBondContact O-CB 3.44Å; R25-L267 PolarHBondContact O-N 3.16Å; R25-T268 PolarHBondContact NE-O 3.46Å; R25-E270 IonicContact NH1-OE2 2.72Å
26C97.8Very high96.8Very high0 Ų041.3 Ų41.30%020%0.201CC..THydrogen-bonded Turntrans-86.21.5-178-69.60000113.9F22 A23 A24 L52 R55 W66 A264F22-C26 VanDerWaalsContact CE1-SG 3.56Å; F22-C26 PolarHBondContact O-N 2.97Å; F22-C26 VanDerWaalsContact O-N 3.12Å; F22-C26 PolarHBondContact O-SG 3.49Å; F22-C26 VanDerWaalsContact O-SG 3.33Å; A23-C26 PolarHBondContact O-N 2.86Å; A24-C26 VanDerWaalsContact C-N 3.3Å; C26-L52 HydrophobicContact CB-CD2 4.04Å; C26-R55 VanDerWaalsContact O-CD 3.23Å; C26-R55 WeakPolarHBondContact O-CD 3.35Å; C26-R55 PolarHBondContact O-NE 3.32Å; C26-W66 HydrophobicContact CB-CZ2 3.89Å; C26-W66 WeakPolarHBondContact O-CZ2 3.15Å; C26-W66 PolarHBondContact O-NE1 3.16Å; C26-A264 HydrophobicContact CB-CB 4.1Å
27V97.1Very high96.8Very high1 Ų146.5 Ų46.51%0.00622%0.22CC..SBendtrans-113.9159.1175.5-59.90000111.4A24 R25 K32 M48 R51 L52A24-V27 WeakPolarHBondContact O-CG2 3.37Å; R25-V27 VanDerWaalsContact C-N 3.32Å; V27-K32 HydrophobicContact CG2-CB 4.06Å; V27-M48 HydrophobicContact CG1-SD 3.88Å; V27-M48 HydrophobicContact CG2-SD 4.25Å; V27-R51 HydrophobicContact CB-CB 4.48Å; V27-R51 HydrophobicContact CG1-CB 3.64Å; V27-L52 HydrophobicContact CG1-CD2 4.06Å
28Q95.7Very high96.7Very high15 Ų1543.5 Ų43.57%0.0721%0.21CC..  trans-61.8147.8177.1-78.5165.3-110.400111E30 E31 K32 R55 L71 L267Q28-E30 VanDerWaalsContact C-N 3.3Å; Q28-E30 HydrophobicContact CB-CG 4.5Å; Q28-E30 WeakPolarHBondContact CB-OE1 3.39Å; Q28-E30 PolarHBondContact NE2-OE1 3.27Å; Q28-E30 PolarHBondContact O-N 2.96Å; Q28-E31 WeakPolarHBondContact O-CA 3.38Å; Q28-E31 PolarHBondContact O-N 3.47Å; Q28-K32 PolarHBondContact O-N 2.66Å; Q28-R55 VanDerWaalsContact OE1-NH1 3.08Å; Q28-L71 PolarHBondContact NE2-O 2.9Å; Q28-L71 VanDerWaalsContact NE2-O 3.1Å; Q28-L267 HydrophobicContact CG-CD1 4.41Å
29Q95.8Very high96.6Very high78 Ų7844.7 Ų44.736%0.36421%0.214SC..Hα-helixtrans-55.3-44.6-173.8-178.460.250.500112.1E31 K32 D33Q29-E31 VanDerWaalsContact C-N 3.26Å; Q29-E31 PolarHBondContact O-N 3.29Å; Q29-K32 WeakPolarHBondContact O-CB 3.36Å; Q29-K32 PolarHBondContact O-N 3.1Å; Q29-K32 VanDerWaalsContact O-N 3.16Å; Q29-D33 VanDerWaalsContact NE2-CG 3.34Å; Q29-D33 PolarHBondContact NE2-OD1 3.49Å; Q29-D33 PolarHBondContact NE2-OD2 3.37Å; Q29-D33 PolarHBondContact O-N 2.86Å
30E94.4Very high96.6Very high95 Ų9543.9 Ų43.944%0.44421%0.21SC..Hα-helixtrans-63.1-30.3178.164-83.4-165.300113.3Q28 R34Q28-E30 VanDerWaalsContact C-N 3.3Å; Q28-E30 HydrophobicContact CB-CG 4.5Å; Q28-E30 WeakPolarHBondContact CB-OE1 3.39Å; Q28-E30 PolarHBondContact NE2-OE1 3.27Å; Q28-E30 PolarHBondContact O-N 2.96Å; E30-R34 WeakPolarHBondContact O-CB 3.33Å; E30-R34 PolarHBondContact O-N 3.48Å; E30-R34 VanDerWaalsContact O-N 3.16Å
31E94.6Very high96.5Very high13 Ų1344 Ų446%0.06121%0.211CC..Hα-helixtrans-81.3-36175-67.1-69.9155.600111Q28 Q29 D33 R34 I35 R51 R73Q28-E31 WeakPolarHBondContact O-CA 3.38Å; Q28-E31 PolarHBondContact O-N 3.47Å; Q29-E31 VanDerWaalsContact C-N 3.26Å; Q29-E31 PolarHBondContact O-N 3.29Å; E31-D33 VanDerWaalsContact C-N 3.34Å; E31-R34 PolarHBondContact O-N 2.92Å; E31-I35 WeakPolarHBondContact O-CB 3.41Å; E31-I35 WeakPolarHBondContact O-CD1 3.36Å; E31-I35 WeakPolarHBondContact O-CG1 3.49Å; E31-I35 PolarHBondContact O-N 3.43Å; E31-R51 HydrophobicContact CB-CG 4.34Å; E31-R51 IonicContact OE1-CZ 2.75Å; E31-R51 IonicContact OE1-NH1 3.81Å; E31-R51 WeakPolarHBondContact OE2-CD 3.41Å; E31-R51 IonicContact OE2-CZ 3.86Å; E31-R51 IonicContact OE2-NE 3.83Å; E31-R51 PolarHBondContact OE2-NE 2.86Å; E31-R51 IonicContact OE2-NH1 3.38Å; E31-R73 IonicContact OE1-CZ 3.74Å; E31-R73 IonicContact OE1-NE 3.16Å; E31-R73 PolarHBondContact OE1-NE 2.93Å; E31-R73 IonicContact OE1-NH2 3.37Å; E31-R73 PolarHBondContact OE1-NH2 3.01Å; E31-R73 VanDerWaalsContact OE1-NH2 3.16Å; E31-R73 IonicContact OE2-CZ 2.69Å; E31-R73 IonicContact OE2-NE 2.78Å; E31-R73 IonicContact OE2-NH2 3.75Å; E31-R73 PolarHBondContact OE2-NH2 3.3Å
32K96.3Very high96.4Very high10 Ų1047.6 Ų47.64%0.04323%0.227CC..Hα-helixtrans-57.4-49170-178.2-171.1167.9-161.40110.3A24 V27 Q28 Q29 R34 I35 G36 D271 Y274A24-K32 HydrophobicContact CB-CG 4.46Å; V27-K32 HydrophobicContact CG2-CB 4.06Å; Q28-K32 PolarHBondContact O-N 2.66Å; Q29-K32 WeakPolarHBondContact O-CB 3.36Å; Q29-K32 PolarHBondContact O-N 3.1Å; Q29-K32 VanDerWaalsContact O-N 3.16Å; K32-R34 PolarHBondContact O-N 3.31Å; K32-I35 PolarHBondContact O-N 3.29Å; K32-G36 PolarHBondContact O-N 3Å; K32-D271 IonicContact NZ-OD2 3.53Å; K32-D271 PolarHBondContact NZ-OD2 2.9Å; K32-Y274 HydrophobicContact CG-CD2 4.25Å; K32-Y274 HydrophobicContact CG-CE2 3.75Å; K32-Y274 PolarHBondContact O-OH 2.67Å
33D95.9Very high96.3Very high81 Ų8147.5 Ų47.543%0.43323%0.229SC..Hα-helixtrans-60.6-47.3179.5-66.3-26.5000110.9Q29 E31 I35 G36 Q37Q29-D33 VanDerWaalsContact NE2-CG 3.34Å; Q29-D33 PolarHBondContact NE2-OD1 3.49Å; Q29-D33 PolarHBondContact NE2-OD2 3.37Å; Q29-D33 PolarHBondContact O-N 2.86Å; E31-D33 VanDerWaalsContact C-N 3.34Å; D33-I35 PolarHBondContact O-N 3.07Å; D33-G36 PolarHBondContact O-N 3.18Å; D33-G36 VanDerWaalsContact O-N 3.17Å; D33-Q37 WeakPolarHBondContact O-CG 3.29Å; D33-Q37 PolarHBondContact O-N 2.91Å
34R95.1Very high96.3Very high119 Ų11947.5 Ų47.545%0.44923%0.229SC..Hα-helixtrans-60.1-42.5176.4179.9179.2165.1148.9-0.7112.6E30 E31 K32 G36 Q37E30-R34 WeakPolarHBondContact O-CB 3.33Å; E30-R34 PolarHBondContact O-N 3.48Å; E30-R34 VanDerWaalsContact O-N 3.16Å; E31-R34 PolarHBondContact O-N 2.92Å; K32-R34 PolarHBondContact O-N 3.31Å; R34-G36 VanDerWaalsContact C-N 3.28Å; R34-G36 PolarHBondContact O-N 3.31Å; R34-Q37 PolarHBondContact O-N 3.44Å
35I96.7Very high96.3Very high1 Ų147.7 Ų47.71%0.00523%0.229CC..Hα-helixtrans-64.3-37.5177.9-68162.4000110.3W20 E31 K32 D33 Q37 F38 A44 A47 M48 R51 Y274W20-I35 HydrophobicContact CH2-CG2 4.12Å; W20-I35 HydrophobicContact CZ2-CG2 4.22Å; E31-I35 WeakPolarHBondContact O-CB 3.41Å; E31-I35 WeakPolarHBondContact O-CD1 3.36Å; E31-I35 WeakPolarHBondContact O-CG1 3.49Å; E31-I35 PolarHBondContact O-N 3.43Å; K32-I35 PolarHBondContact O-N 3.29Å; D33-I35 PolarHBondContact O-N 3.07Å; I35-Q37 PolarHBondContact O-N 2.94Å; I35-F38 WeakPolarHBondContact O-CD2 3.17Å; I35-F38 PolarHBondContact O-N 3.31Å; I35-A44 HydrophobicContact CG2-CB 3.93Å; I35-A47 HydrophobicContact CG1-CB 3.93Å; I35-M48 HydrophobicContact CD1-CB 4.22Å; I35-M48 HydrophobicContact CD1-CE 3.98Å; I35-M48 HydrophobicContact CD1-SD 4Å; I35-M48 HydrophobicContact CG2-CE 4.28Å; I35-R51 HydrophobicContact CD1-CG 4.33Å; I35-Y274 WeakPolarHBondContact CB-OH 3.35Å; I35-Y274 WeakPolarHBondContact CG2-OH 3.45Å
36G96.1Very high96.3Very high17 Ų1745 Ų4518%0.17522%0.22CC..Hα-helixtrans-59.1-30.6175.400000114.1K32 D33 R34 F38 Y274 K281K32-G36 PolarHBondContact O-N 3Å; D33-G36 PolarHBondContact O-N 3.18Å; D33-G36 VanDerWaalsContact O-N 3.17Å; R34-G36 VanDerWaalsContact C-N 3.28Å; R34-G36 PolarHBondContact O-N 3.31Å; G36-F38 VanDerWaalsContact C-N 3.34Å; G36-F38 PolarHBondContact O-N 3.41Å; G36-Y274 PolarHBondContact N-OH 2.91Å; G36-K281 PolarHBondContact O-NZ 3.4Å
37Q96.5Very high96.2Very high158 Ų15845.6 Ų45.674%0.73823%0.225SC*.THydrogen-bonded Turntrans-76.1-12.6-179.1-60.4-55.5-36.800114.6D33 R34 I35 V39D33-Q37 WeakPolarHBondContact O-CG 3.29Å; D33-Q37 PolarHBondContact O-N 2.91Å; R34-Q37 PolarHBondContact O-N 3.44Å; I35-Q37 PolarHBondContact O-N 2.94Å; Q37-V39 PolarHBondContact O-N 3.12Å
38F96.2Very high96.3Very high53 Ų5345.6 Ų45.623%0.23223%0.225CC..  trans-63.5137.1178-78.4-69.8000111.3I35 G36 D43 A44 A47 K281I35-F38 WeakPolarHBondContact O-CD2 3.17Å; I35-F38 PolarHBondContact O-N 3.31Å; G36-F38 VanDerWaalsContact C-N 3.34Å; G36-F38 PolarHBondContact O-N 3.41Å; F38-D43 HydrophobicContact CB-CB 4.17Å; F38-D43 HydrophobicContact CD1-CB 3.45Å; F38-D43 VanDerWaalsContact CD1-CB 3.45Å; F38-D43 HydrophobicContact CE1-CB 3.94Å; F38-D43 HydrophobicContact CG-CB 3.84Å; F38-A44 HydrophobicContact CB-CB 4.13Å; F38-A44 HydrophobicContact CD2-CB 4.41Å; F38-A47 HydrophobicContact CD2-CB 4.21Å; F38-A47 HydrophobicContact CE2-CB 3.4Å; F38-A47 HydrophobicContact CZ-CB 3.97Å; F38-K281 WeakPolarHBondContact O-CD 3.44Å; F38-K281 VanDerWaalsContact O-CE 3.29Å; F38-K281 WeakPolarHBondContact O-CE 3.3Å; F38-K281 PolarHBondContact O-NZ 2.88Å
39V95.9Very high96.4Very high107 Ų10744.9 Ų44.965%0.64822%0.221SC*.SBendtrans-71.5-41.3179177.50000111.1Q37Q37-V39 PolarHBondContact O-N 3.12Å
40F96.1Very high96.4Very high49 Ų4941.3 Ų41.322%0.21521%0.206CC..SBendtrans-104.5146-175.4-57.9-73.1000112.5K42 D43 A44 A282 A284 P285F40-K42 VanDerWaalsContact C-N 3.32Å; F40-K42 HydrophobicContact CB-CG 4.17Å; F40-K42 PolarHBondContact O-N 3.44Å; F40-D43 PolarHBondContact O-N 3.33Å; F40-A44 PolarHBondContact O-N 3.12Å; F40-A282 WeakPolarHBondContact CA-O 3.35Å; F40-A282 HydrophobicContact CD1-CB 4.21Å; F40-A282 HydrophobicContact CE1-CB 4.43Å; F40-A284 VanDerWaalsContact CD1-C 3.47Å; F40-P285 HydrophobicContact CD2-CG 4.21Å; F40-P285 HydrophobicContact CE1-CB 4.21Å; F40-P285 HydrophobicContact CE1-CG 4.02Å; F40-P285 VanDerWaalsContact CE1-N 3.34Å; F40-P285 HydrophobicContact CE2-CB 4.44Å; F40-P285 HydrophobicContact CE2-CG 3.64Å; F40-P285 HydrophobicContact CZ-CB 3.86Å; F40-P285 HydrophobicContact CZ-CG 3.54Å
41A96.4Very high96.6Very high4 Ų437.6 Ų37.63%0.03319%0.188CC..Hα-helixtrans-63.4-37.6179.600000111.9D43 A44 K45 F278 K281 A282A41-D43 VanDerWaalsContact C-N 3.31Å; A41-D43 PolarHBondContact O-N 2.78Å; A41-A44 PolarHBondContact O-N 3.07Å; A41-K45 WeakPolarHBondContact O-CB 3.45Å; A41-K45 WeakPolarHBondContact O-CG 3.23Å; A41-K45 PolarHBondContact O-N 3.06Å; A41-F278 HydrophobicContact CB-CE2 3.85Å; A41-F278 HydrophobicContact CB-CZ 4.18Å; A41-K281 HydrophobicContact CB-CB 4.11Å; A41-A282 PolarHBondContact N-O 3.24Å
42K95.6Very high96.7Very high78 Ų7837 Ų3734%0.33919%0.185SC..Hα-helixtrans-56.8-42.7176.872.9-179-175.9167.20112.7F40 K45 S46 E283 A284F40-K42 VanDerWaalsContact C-N 3.32Å; F40-K42 HydrophobicContact CB-CG 4.17Å; F40-K42 PolarHBondContact O-N 3.44Å; K42-K45 PolarHBondContact O-N 3.38Å; K42-S46 PolarHBondContact O-N 2.73Å; K42-S46 PolarHBondContact O-OG 2.85Å; K42-S46 VanDerWaalsContact O-OG 3.07Å; K42-E283 VanDerWaalsContact CB-O 3.3Å; K42-E283 WeakPolarHBondContact CB-O 3.38Å; K42-E283 VanDerWaalsContact CG-O 3.24Å; K42-E283 WeakPolarHBondContact CG-O 3.43Å; K42-E283 PolarHBondContact N-O 2.86Å; K42-A284 HydrophobicContact CD-CB 3.96Å
43D96.4Very high96.8Very high54 Ų5436.5 Ų36.529%0.28918%0.183SC..Hα-helixtrans-72.7-38.5-175.9-58.2-40.5000109.9F38 F40 A41 S46 A47F38-D43 HydrophobicContact CB-CB 4.17Å; F38-D43 HydrophobicContact CD1-CB 3.45Å; F38-D43 VanDerWaalsContact CD1-CB 3.45Å; F38-D43 HydrophobicContact CE1-CB 3.94Å; F38-D43 HydrophobicContact CG-CB 3.84Å; F40-D43 PolarHBondContact O-N 3.33Å; A41-D43 VanDerWaalsContact C-N 3.31Å; A41-D43 PolarHBondContact O-N 2.78Å; D43-S46 PolarHBondContact O-N 3.06Å; D43-A47 VanDerWaalsContact O-CB 3.28Å; D43-A47 WeakPolarHBondContact O-CB 3.5Å; D43-A47 PolarHBondContact O-N 3.18Å
44A97.4Very high96.8Very high0 Ų032.7 Ų32.70%016%0.162CC..Hα-helixtrans-61.6-44172.100000111.9W20 I35 F38 F40 A41 M48 F278W20-A44 HydrophobicContact CH2-CB 3.98Å; W20-A44 HydrophobicContact CZ2-CB 4.36Å; I35-A44 HydrophobicContact CG2-CB 3.93Å; F38-A44 HydrophobicContact CB-CB 4.13Å; F38-A44 HydrophobicContact CD2-CB 4.41Å; F40-A44 PolarHBondContact O-N 3.12Å; A41-A44 PolarHBondContact O-N 3.07Å; A44-M48 VanDerWaalsContact O-CB 3.29Å; A44-M48 WeakPolarHBondContact O-CB 3.39Å; A44-M48 PolarHBondContact O-N 3.16Å; A44-F278 HydrophobicContact CB-CD2 4.32Å; A44-F278 HydrophobicContact CB-CE2 4.29Å
45K98.1Very high96.9Very high5 Ų527.1 Ų27.12%0.02214%0.141CC..Hα-helixtrans-62.5-48176.2-75.9-172.5-65.7173.30112C10 G11 W13 W20 A41 K42 A47 M48 A49 F278 E283C10-K45 HydrophobicContact CB-CB 4.41Å; C10-K45 PolarHBondContact O-NZ 2.99Å; G11-K45 PolarHBondContact O-NZ 3.22Å; W13-K45 HydrophobicContact CB-CD 4.48Å; W13-K45 HydrophobicContact CE3-CB 3.93Å; W13-K45 HydrophobicContact CE3-CD 4.09Å; W13-K45 HydrophobicContact CE3-CG 3.82Å; W13-K45 HydrophobicContact CZ3-CB 4.19Å; W13-K45 HydrophobicContact CZ3-CG 4.11Å; W13-K45 WeakPolarHBondContact O-CD 3.45Å; W13-K45 PolarHBondContact O-NZ 2.88Å; W13-K45 VanDerWaalsContact O-NZ 3.08Å; W20-K45 HydrophobicContact CZ3-CG 4.27Å; A41-K45 WeakPolarHBondContact O-CB 3.45Å; A41-K45 WeakPolarHBondContact O-CG 3.23Å; A41-K45 PolarHBondContact O-N 3.06Å; K42-K45 PolarHBondContact O-N 3.38Å; K45-A47 PolarHBondContact O-N 3.32Å; K45-M48 PolarHBondContact O-N 3.33Å; K45-A49 VanDerWaalsContact O-CB 3.31Å; K45-A49 WeakPolarHBondContact O-CB 3.38Å; K45-A49 PolarHBondContact O-N 2.75Å; K45-F278 HydrophobicContact CD-CZ 4.41Å; K45-F278 HydrophobicContact CG-CE2 4.15Å; K45-F278 HydrophobicContact CG-CZ 4.04Å; K45-E283 WeakPolarHBondContact CE-OE1 3.46Å; K45-E283 IonicContact NZ-OE1 3.61Å; K45-E283 PolarHBondContact NZ-OE1 3.26Å; K45-E283 IonicContact NZ-OE2 3.03Å
46S97.3Very high97Very high8 Ų827.8 Ų27.86%0.05614%0.144CC..Hα-helixtrans-61.8-43.5178.1-60.70000111.9C10 K42 D43 G50C10-S46 PolarHBondContact SG-OG 2.63Å; K42-S46 PolarHBondContact O-N 2.73Å; K42-S46 PolarHBondContact O-OG 2.85Å; K42-S46 VanDerWaalsContact O-OG 3.07Å; D43-S46 PolarHBondContact O-N 3.06Å; S46-G50 PolarHBondContact O-N 2.8Å
47A96.7Very high97Very high12 Ų1227 Ų2710%0.09914%0.136CC..Hα-helixtrans-65.2-43.7177.400000112.2I35 F38 D43 K45 G50 R51I35-A47 HydrophobicContact CG1-CB 3.93Å; F38-A47 HydrophobicContact CD2-CB 4.21Å; F38-A47 HydrophobicContact CE2-CB 3.4Å; F38-A47 HydrophobicContact CZ-CB 3.97Å; D43-A47 VanDerWaalsContact O-CB 3.28Å; D43-A47 WeakPolarHBondContact O-CB 3.5Å; D43-A47 PolarHBondContact O-N 3.18Å; K45-A47 PolarHBondContact O-N 3.32Å; A47-G50 PolarHBondContact O-N 3.45Å; A47-R51 WeakPolarHBondContact O-CG 3.24Å; A47-R51 PolarHBondContact O-N 2.82Å
48M98.1Very high96.9Very high0 Ų019.5 Ų19.50%010%0.101CC..Hα-helixtrans-60.4-51.4175.3-175.765.778.300111.5W13 W20 A23 A24 V27 I35 A44 K45 G50 R51 L52 Y274W13-M48 HydrophobicContact CH2-CG 4.02Å; W13-M48 HydrophobicContact CZ3-CB 4.28Å; W13-M48 HydrophobicContact CZ3-CG 4.23Å; W20-M48 HydrophobicContact CH2-CB 4.18Å; W20-M48 HydrophobicContact CH2-CE 4.11Å; W20-M48 HydrophobicContact CZ2-CE 4.26Å; W20-M48 HydrophobicContact CZ3-CB 4.08Å; W20-M48 HydrophobicContact CZ3-CE 4.37Å; W20-M48 HydrophobicContact CZ3-CG 4.17Å; A23-M48 HydrophobicContact CB-CE 4.37Å; A23-M48 HydrophobicContact CB-CG 4.03Å; A23-M48 HydrophobicContact CB-SD 3.98Å; A24-M48 HydrophobicContact CB-CE 4.04Å; V27-M48 HydrophobicContact CG1-SD 3.88Å; V27-M48 HydrophobicContact CG2-SD 4.25Å; I35-M48 HydrophobicContact CD1-CB 4.22Å; I35-M48 HydrophobicContact CD1-CE 3.98Å; I35-M48 HydrophobicContact CD1-SD 4Å; I35-M48 HydrophobicContact CG2-CE 4.28Å; A44-M48 VanDerWaalsContact O-CB 3.29Å; A44-M48 WeakPolarHBondContact O-CB 3.39Å; A44-M48 PolarHBondContact O-N 3.16Å; K45-M48 PolarHBondContact O-N 3.33Å; M48-G50 PolarHBondContact O-N 3.33Å; M48-R51 PolarHBondContact O-N 2.87Å; M48-L52 HydrophobicContact CG-CD1 4.13Å; M48-L52 HydrophobicContact CG-CG 4.48Å; M48-L52 WeakPolarHBondContact O-CG 3.39Å; M48-L52 PolarHBondContact O-N 3.17Å; M48-Y274 HydrophobicContact CE-CE1 4.41Å
49A98.3Very high96.8Very high0 Ų018.1 Ų18.10%010%0.097CC..Hα-helixtrans-55.4-42.9177.500000111.4F8 C10 K45 R51 L52 L53 A106F8-A49 HydrophobicContact CD1-CB 3.41Å; F8-A49 VanDerWaalsContact CD1-CB 3.41Å; F8-A49 HydrophobicContact CE1-CB 3.94Å; F8-A49 HydrophobicContact CG-CB 4.25Å; C10-A49 HydrophobicContact CB-CB 4.15Å; K45-A49 VanDerWaalsContact O-CB 3.31Å; K45-A49 WeakPolarHBondContact O-CB 3.38Å; K45-A49 PolarHBondContact O-N 2.75Å; A49-R51 PolarHBondContact O-N 3.21Å; A49-L52 PolarHBondContact O-N 3.35Å; A49-L53 WeakPolarHBondContact O-CB 3.38Å; A49-L53 WeakPolarHBondContact O-CG 3.49Å; A49-L53 PolarHBondContact O-N 3.5Å; A49-A106 HydrophobicContact CB-CB 3.91Å
50G97.2Very high96.7Very high4 Ų416.5 Ų16.54%0.0418%0.083CC..Hα-helixtrans-61.4-42.4176.900000113.2S46 A47 M48 L54 I99S46-G50 PolarHBondContact O-N 2.8Å; A47-G50 PolarHBondContact O-N 3.45Å; M48-G50 PolarHBondContact O-N 3.33Å; G50-L54 WeakPolarHBondContact O-CB 3.24Å; G50-L54 PolarHBondContact O-N 3.03Å; G50-L54 VanDerWaalsContact O-N 3.14Å; G50-I99 WeakPolarHBondContact O-CD1 3.38Å
51R96.9Very high96.5Very high17 Ų1717.6 Ų17.66%0.0649%0.089CC..Hα-helixtrans-65.8-42.6177.5-67.2-65.9135.9-169.2-11.2112.2V27 E31 I35 A47 M48 A49 L54 R55 R73V27-R51 HydrophobicContact CB-CB 4.48Å; V27-R51 HydrophobicContact CG1-CB 3.64Å; E31-R51 HydrophobicContact CB-CG 4.34Å; E31-R51 IonicContact OE1-CZ 2.75Å; E31-R51 IonicContact OE1-NH1 3.81Å; E31-R51 WeakPolarHBondContact OE2-CD 3.41Å; E31-R51 IonicContact OE2-CZ 3.86Å; E31-R51 IonicContact OE2-NE 3.83Å; E31-R51 PolarHBondContact OE2-NE 2.86Å; E31-R51 IonicContact OE2-NH1 3.38Å; I35-R51 HydrophobicContact CD1-CG 4.33Å; A47-R51 WeakPolarHBondContact O-CG 3.24Å; A47-R51 PolarHBondContact O-N 2.82Å; M48-R51 PolarHBondContact O-N 2.87Å; A49-R51 PolarHBondContact O-N 3.21Å; R51-L54 PolarHBondContact O-N 2.89Å; R51-R55 WeakPolarHBondContact O-CG 3.45Å; R51-R55 PolarHBondContact O-N 2.91Å; R51-R73 VanDerWaalsContact CZ-NH2 3.3Å
52L98.1Very high96.3Very high0 Ų019 Ų190%010%0.096CC..Hα-helixtrans-66.2-42.4178.6-64.5175.3000111.7A23 C26 V27 M48 A49 L54 R55 K56 W66 F257 L260 I261A23-L52 HydrophobicContact CB-CD1 4.03Å; C26-L52 HydrophobicContact CB-CD2 4.04Å; V27-L52 HydrophobicContact CG1-CD2 4.06Å; M48-L52 HydrophobicContact CG-CD1 4.13Å; M48-L52 HydrophobicContact CG-CG 4.48Å; M48-L52 WeakPolarHBondContact O-CG 3.39Å; M48-L52 PolarHBondContact O-N 3.17Å; A49-L52 PolarHBondContact O-N 3.35Å; L52-L54 VanDerWaalsContact C-N 3.29Å; L52-L54 PolarHBondContact O-N 3.02Å; L52-R55 PolarHBondContact O-N 3.33Å; L52-K56 VanDerWaalsContact O-CB 3.3Å; L52-K56 WeakPolarHBondContact O-CB 3.17Å; L52-K56 PolarHBondContact O-N 2.8Å; L52-W66 HydrophobicContact CD2-CH2 4.09Å; L52-W66 HydrophobicContact CD2-CZ2 3.88Å; L52-F257 HydrophobicContact CD1-CE2 4.24Å; L52-L260 HydrophobicContact CB-CD1 3.73Å; L52-L260 HydrophobicContact CB-CD2 3.82Å; L52-L260 HydrophobicContact CB-CG 3.65Å; L52-L260 HydrophobicContact CD1-CD2 3.75Å; L52-L260 HydrophobicContact CD1-CG 4.12Å; L52-L260 HydrophobicContact CG-CD2 4.47Å; L52-I261 HydrophobicContact CD1-CG2 4.09Å
53L98.2Very high96Very high0 Ų017.6 Ų17.60%010%0.104CC..Hα-helixtrans-56.6-46.6175.5-82.1169.7000111W6 F8 A49 K56 F57 I99 A106 L108 L255 L260W6-L53 HydrophobicContact CB-CD2 3.89Å; W6-L53 HydrophobicContact CE3-CD2 4.37Å; F8-L53 HydrophobicContact CB-CD1 4.27Å; A49-L53 WeakPolarHBondContact O-CB 3.38Å; A49-L53 WeakPolarHBondContact O-CG 3.49Å; A49-L53 PolarHBondContact O-N 3.5Å; L53-K56 PolarHBondContact O-N 3.39Å; L53-F57 WeakPolarHBondContact O-CB 3.49Å; L53-F57 PolarHBondContact O-N 2.82Å; L53-I99 HydrophobicContact CB-CD1 4.33Å; L53-A106 HydrophobicContact CD1-CB 3.94Å; L53-L108 HydrophobicContact CB-CB 4.26Å; L53-L108 HydrophobicContact CB-CD1 4.2Å; L53-L108 HydrophobicContact CD1-CB 4.48Å; L53-L255 HydrophobicContact CD2-CD1 3.81Å; L53-L260 HydrophobicContact CB-CD1 4.37Å; L53-L260 HydrophobicContact CD2-CD1 3.83Å; L53-L260 HydrophobicContact CG-CD1 3.81Å
54L96.3Very high95.8Very high1 Ų115.7 Ų15.71%0.0059%0.093CC..Hα-helixtrans-65.5-44-179.4-178.955.5000112.3G50 R51 L52 F57 V58 L71 P79 F97 L108G50-L54 WeakPolarHBondContact O-CB 3.24Å; G50-L54 PolarHBondContact O-N 3.03Å; G50-L54 VanDerWaalsContact O-N 3.14Å; R51-L54 PolarHBondContact O-N 2.89Å; L52-L54 VanDerWaalsContact C-N 3.29Å; L52-L54 PolarHBondContact O-N 3.02Å; L54-F57 PolarHBondContact O-N 3.07Å; L54-V58 HydrophobicContact CD1-CG2 4.41Å; L54-V58 WeakPolarHBondContact O-CG2 3.42Å; L54-V58 PolarHBondContact O-N 3.29Å; L54-L71 HydrophobicContact CB-CD1 4.5Å; L54-L71 HydrophobicContact CD2-CD1 3.59Å; L54-L71 HydrophobicContact CD2-CD2 3.84Å; L54-L71 HydrophobicContact CD2-CG 4.28Å; L54-L71 HydrophobicContact CG-CD1 3.81Å; L54-L71 HydrophobicContact CG-CD2 4Å; L54-P79 HydrophobicContact CD2-CB 3.9Å; L54-P79 HydrophobicContact CD2-CG 4.12Å; L54-F97 HydrophobicContact CD1-CD2 3.41Å; L54-F97 VanDerWaalsContact CD1-CD2 3.41Å; L54-F97 HydrophobicContact CD1-CE2 3.29Å; L54-F97 HydrophobicContact CD1-CG 4.19Å; L54-F97 HydrophobicContact CD1-CZ 3.95Å; L54-F97 HydrophobicContact CD2-CE2 4.37Å; L54-F97 HydrophobicContact CG-CE2 4.45Å; L54-L108 HydrophobicContact CB-CD1 4.33Å; L54-L108 HydrophobicContact CD1-CD1 4.3Å
55R96.7Very high95.6Very high2 Ų218.7 Ų18.71%0.00811%0.113CC..Hα-helixtrans-66.9-41.1176.9-68.7-171.884.679-6.5112.1C26 Q28 R51 L52 F57 V58 C59 W66 I69 L71C26-R55 VanDerWaalsContact O-CD 3.23Å; C26-R55 WeakPolarHBondContact O-CD 3.35Å; C26-R55 PolarHBondContact O-NE 3.32Å; Q28-R55 VanDerWaalsContact OE1-NH1 3.08Å; R51-R55 WeakPolarHBondContact O-CG 3.45Å; R51-R55 PolarHBondContact O-N 2.91Å; L52-R55 PolarHBondContact O-N 3.33Å; R55-F57 VanDerWaalsContact C-N 3.32Å; R55-F57 PolarHBondContact O-N 3.44Å; R55-V58 PolarHBondContact O-N 2.8Å; R55-C59 VanDerWaalsContact O-CB 3.25Å; R55-C59 WeakPolarHBondContact O-CB 3.3Å; R55-C59 PolarHBondContact O-N 3.38Å; R55-W66 HydrophobicContact CB-CD2 4.05Å; R55-W66 HydrophobicContact CB-CE3 3.96Å; R55-W66 HydrophobicContact CB-CH2 3.45Å; R55-W66 VanDerWaalsContact CB-CH2 3.45Å; R55-W66 HydrophobicContact CB-CZ2 3.51Å; R55-W66 HydrophobicContact CB-CZ3 3.69Å; R55-W66 HydrophobicContact CG-CZ2 4.21Å; R55-W66 PolarHBondContact NH2-O 3.08Å; R55-I69 HydrophobicContact CB-CD1 4.17Å; R55-I69 HydrophobicContact CG-CG2 4.48Å; R55-I69 PolarHBondContact NH1-O 2.69Å; R55-I69 PolarHBondContact NH2-O 3.44Å; R55-I69 VanDerWaalsContact O-CD1 3.28Å; R55-I69 WeakPolarHBondContact O-CD1 3.2Å; R55-L71 HydrophobicContact CG-CD1 4.07Å
56K97.6Very high95.4Very high15 Ų1518.8 Ų18.87%0.06511%0.113CC..Hα-helixtrans-56.7-48.2173.5-178.2-173.9169.8690110.7W6 L52 L53 V58 C59 E60 W66 L255 E259W6-K56 HydrophobicContact CE3-CD 4.15Å; W6-K56 HydrophobicContact CH2-CD 4.04Å; W6-K56 HydrophobicContact CH2-CG 3.95Å; W6-K56 HydrophobicContact CZ3-CB 4.09Å; W6-K56 HydrophobicContact CZ3-CD 3.67Å; W6-K56 HydrophobicContact CZ3-CG 3.64Å; L52-K56 VanDerWaalsContact O-CB 3.3Å; L52-K56 WeakPolarHBondContact O-CB 3.17Å; L52-K56 PolarHBondContact O-N 2.8Å; L53-K56 PolarHBondContact O-N 3.39Å; K56-V58 PolarHBondContact O-N 3.31Å; K56-C59 PolarHBondContact O-N 3.13Å; K56-E60 WeakPolarHBondContact CE-OE2 3.4Å; K56-E60 HydrophobicContact CG-CG 4.37Å; K56-E60 WeakPolarHBondContact CG-OE1 3.5Å; K56-E60 IonicContact NZ-OE1 2.66Å; K56-E60 PolarHBondContact NZ-OE1 3.34Å; K56-E60 IonicContact NZ-OE2 3.49Å; K56-E60 PolarHBondContact NZ-OE2 3.37Å; K56-E60 WeakPolarHBondContact O-CB 3.19Å; K56-E60 PolarHBondContact O-N 2.77Å; K56-W66 HydrophobicContact CB-CZ3 4.15Å; K56-W66 VanDerWaalsContact N-CZ3 3.35Å; K56-L255 HydrophobicContact CD-CD1 3.87Å; K56-E259 WeakPolarHBondContact CE-O 3.45Å; K56-E259 PolarHBondContact NZ-O 3.29Å
57F96.4Very high95.3Very high0 Ų021.4 Ų21.40%013%0.131CC..Hα-helixtrans-58.6-51.2179.4166.9-101.4000111.2V4 W6 L53 L54 R55 C59 E60 M61 M62 W95 F97 L108 A110V4-F57 HydrophobicContact CB-CD2 4.33Å; V4-F57 HydrophobicContact CB-CE2 4.41Å; V4-F57 HydrophobicContact CG1-CD2 4.37Å; V4-F57 HydrophobicContact CG2-CD2 4.04Å; V4-F57 HydrophobicContact CG2-CE2 3.95Å; W6-F57 HydrophobicContact CE3-CB 4.47Å; W6-F57 HydrophobicContact CZ3-CB 3.88Å; L53-F57 WeakPolarHBondContact O-CB 3.49Å; L53-F57 PolarHBondContact O-N 2.82Å; L54-F57 PolarHBondContact O-N 3.07Å; R55-F57 VanDerWaalsContact C-N 3.32Å; R55-F57 PolarHBondContact O-N 3.44Å; F57-C59 VanDerWaalsContact C-N 3.29Å; F57-C59 PolarHBondContact O-N 3.5Å; F57-E60 PolarHBondContact O-N 2.9Å; F57-M61 HydrophobicContact CD2-CB 3.86Å; F57-M61 HydrophobicContact CD2-CG 3.57Å; F57-M61 HydrophobicContact CE2-CB 3.61Å; F57-M61 HydrophobicContact CE2-CG 3.71Å; F57-M61 HydrophobicContact CZ-CB 4.27Å; F57-M61 WeakPolarHBondContact O-CA 3.38Å; F57-M61 WeakPolarHBondContact O-CB 3.48Å; F57-M61 PolarHBondContact O-N 3.3Å; F57-M62 HydrophobicContact CE1-CG 4.32Å; F57-M62 HydrophobicContact CE1-SD 3.98Å; F57-M62 HydrophobicContact CZ-CG 4.48Å; F57-W95 HydrophobicContact CE2-CD2 4.21Å; F57-W95 AromaticContact CE2-CE3 3.94Å; F57-W95 HydrophobicContact CE2-CE3 3.94Å; F57-W95 HydrophobicContact CE2-CZ3 4.11Å; F57-W95 HydrophobicContact CZ-CB 4.1Å; F57-W95 AromaticContact CZ-CD2 3.8Å; F57-W95 HydrophobicContact CZ-CD2 3.8Å; F57-W95 AromaticContact CZ-CE3 3.74Å; F57-W95 HydrophobicContact CZ-CE3 3.74Å; F57-W95 AromaticContact CZ-CG 3.99Å; F57-W95 HydrophobicContact CZ-CG 3.99Å; F57-W95 HydrophobicContact CZ-CZ3 4.38Å; F57-F97 HydrophobicContact CD1-CB 4.22Å; F57-F97 HydrophobicContact CD1-CD1 4.15Å; F57-F97 HydrophobicContact CD1-CG 4.22Å; F57-F97 HydrophobicContact CE1-CB 3.85Å; F57-F97 AromaticContact CE1-CD1 3.55Å; F57-F97 HydrophobicContact CE1-CD1 3.55Å; F57-F97 HydrophobicContact CE1-CE1 4.38Å; F57-F97 AromaticContact CE1-CG 3.91Å; F57-F97 HydrophobicContact CE1-CG 3.91Å; F57-F97 HydrophobicContact CZ-CB 4.37Å; F57-F97 HydrophobicContact CZ-CD1 4.48Å; F57-L108 HydrophobicContact CB-CD1 3.91Å; F57-L108 HydrophobicContact CB-CD2 4.1Å; F57-L108 HydrophobicContact CD2-CD2 4.16Å; F57-L108 HydrophobicContact CG-CD1 4.4Å; F57-L108 HydrophobicContact CG-CD2 4.08Å; F57-A110 HydrophobicContact CD2-CB 3.88Å; F57-A110 HydrophobicContact CE1-CB 4.1Å; F57-A110 HydrophobicContact CE2-CB 3.24Å; F57-A110 HydrophobicContact CZ-CB 3.38Å
58V94.5Very high95.1Very high0 Ų026.5 Ų26.50%015%0.153CC..Hα-helixtrans-63.1-38.4179.6174.70000111.3L54 R55 K56 M62 G63 I64 I69 L81L54-V58 HydrophobicContact CD1-CG2 4.41Å; L54-V58 WeakPolarHBondContact O-CG2 3.42Å; L54-V58 PolarHBondContact O-N 3.29Å; R55-V58 PolarHBondContact O-N 2.8Å; K56-V58 PolarHBondContact O-N 3.31Å; V58-M62 HydrophobicContact CB-SD 4.36Å; V58-M62 HydrophobicContact CG1-CB 4.47Å; V58-M62 HydrophobicContact CG1-SD 4.2Å; V58-M62 HydrophobicContact CG2-SD 4.01Å; V58-M62 CarbonylContact O-C 3.57Å; V58-M62 WeakPolarHBondContact O-CA 3.31Å; V58-M62 VanDerWaalsContact O-CB 3.27Å; V58-M62 WeakPolarHBondContact O-CB 3.28Å; V58-M62 PolarHBondContact O-N 2.87Å; V58-G63 PolarHBondContact O-N 3.3Å; V58-I64 HydrophobicContact CG1-CB 3.96Å; V58-I64 HydrophobicContact CG1-CD1 3.89Å; V58-I64 HydrophobicContact CG1-CG1 4.29Å; V58-I64 PolarHBondContact O-N 3.38Å; V58-I69 HydrophobicContact CB-CD1 3.96Å; V58-I69 HydrophobicContact CB-CG1 4.34Å; V58-I69 HydrophobicContact CB-CG2 4.35Å; V58-I69 HydrophobicContact CG1-CB 4.47Å; V58-I69 HydrophobicContact CG1-CD1 3.89Å; V58-I69 HydrophobicContact CG1-CG1 3.74Å; V58-I69 HydrophobicContact CG1-CG2 4.02Å; V58-L81 HydrophobicContact CG1-CD1 4.07Å; V58-L81 HydrophobicContact CG1-CD2 4.4Å
59C94.3Very high94.8Very high24 Ų2426.6 Ų26.616%0.16215%0.153CC..Hα-helixtrans-66.7-49.5179.3-167.60000112.6R55 K56 F57 G63 I64 W66 I69R55-C59 VanDerWaalsContact O-CB 3.25Å; R55-C59 WeakPolarHBondContact O-CB 3.3Å; R55-C59 PolarHBondContact O-N 3.38Å; K56-C59 PolarHBondContact O-N 3.13Å; F57-C59 VanDerWaalsContact C-N 3.29Å; F57-C59 PolarHBondContact O-N 3.5Å; C59-G63 WeakPolarHBondContact O-CA 3.25Å; C59-G63 PolarHBondContact O-N 2.94Å; C59-I64 VanDerWaalsContact CA-O 3.29Å; C59-I64 WeakPolarHBondContact CA-O 2.91Å; C59-W66 HydrophobicContact CB-CE3 4.1Å; C59-I69 HydrophobicContact CB-CD1 4.07Å
60E94.1Very high94.5Very high73 Ų7332.5 Ų32.534%0.34118%0.176SC..Hα-helixtrans-85.8-35.4-170.6-68176.8-174.400112.6K56 F57 S263K56-E60 WeakPolarHBondContact CE-OE2 3.4Å; K56-E60 HydrophobicContact CG-CG 4.37Å; K56-E60 WeakPolarHBondContact CG-OE1 3.5Å; K56-E60 IonicContact NZ-OE1 2.66Å; K56-E60 PolarHBondContact NZ-OE1 3.34Å; K56-E60 IonicContact NZ-OE2 3.49Å; K56-E60 PolarHBondContact NZ-OE2 3.37Å; K56-E60 WeakPolarHBondContact O-CB 3.19Å; K56-E60 PolarHBondContact O-N 2.77Å; F57-E60 PolarHBondContact O-N 2.9Å; E60-S263 PolarHBondContact OE1-OG 3.36Å
61M92.6Very high94.2Very high72 Ų7232.5 Ų32.536%0.35518%0.175SC..Hα-helixtrans-99-26.5-173.8-53.8-56.2-58.300113.4V4 W6 F57 W95V4-M61 HydrophobicContact CG2-CE 3.99Å; V4-M61 HydrophobicContact CG2-CG 3.97Å; V4-M61 HydrophobicContact CG2-SD 4.2Å; W6-M61 HydrophobicContact CH2-CG 4.44Å; F57-M61 HydrophobicContact CD2-CB 3.86Å; F57-M61 HydrophobicContact CD2-CG 3.57Å; F57-M61 HydrophobicContact CE2-CB 3.61Å; F57-M61 HydrophobicContact CE2-CG 3.71Å; F57-M61 HydrophobicContact CZ-CB 4.27Å; F57-M61 WeakPolarHBondContact O-CA 3.38Å; F57-M61 WeakPolarHBondContact O-CB 3.48Å; F57-M61 PolarHBondContact O-N 3.3Å; M61-W95 HydrophobicContact CB-CZ2 4.27Å; M61-W95 HydrophobicContact CE-CH2 3.9Å; M61-W95 HydrophobicContact CE-CZ2 3.76Å
62M90.6Very high93.9Very high33 Ų3335 Ų3516%0.16319%0.189CC..SBendtrans-107.3-2177.6-49.8178.364.200112.7F57 V58 I64 L81 V87F57-M62 HydrophobicContact CE1-CG 4.32Å; F57-M62 HydrophobicContact CE1-SD 3.98Å; F57-M62 HydrophobicContact CZ-CG 4.48Å; V58-M62 HydrophobicContact CB-SD 4.36Å; V58-M62 HydrophobicContact CG1-CB 4.47Å; V58-M62 HydrophobicContact CG1-SD 4.2Å; V58-M62 HydrophobicContact CG2-SD 4.01Å; V58-M62 CarbonylContact O-C 3.57Å; V58-M62 WeakPolarHBondContact O-CA 3.31Å; V58-M62 VanDerWaalsContact O-CB 3.27Å; V58-M62 WeakPolarHBondContact O-CB 3.28Å; V58-M62 PolarHBondContact O-N 2.87Å; M62-I64 HydrophobicContact CB-CD1 4.5Å; M62-I64 HydrophobicContact CB-CG1 4.38Å; M62-I64 PolarHBondContact O-N 3.24Å; M62-L81 HydrophobicContact CE-CD2 3.52Å; M62-L81 HydrophobicContact SD-CD2 4.08Å; M62-V87 WeakPolarHBondContact O-CB 3.47Å; M62-V87 WeakPolarHBondContact O-CG1 3.4Å
63G90.1Very high93.3Very high49 Ų4938.3 Ų38.351%0.50520%0.202SC..  trans67.114.2175.500000115V58 C59 P65V58-G63 PolarHBondContact O-N 3.3Å; C59-G63 WeakPolarHBondContact O-CA 3.25Å; C59-G63 PolarHBondContact O-N 2.94Å; G63-P65 WeakPolarHBondContact O-CD 3.25Å
64I91.3Very high92.6Very high15 Ų1540.1 Ų40.18%0.07722%0.215CC..  trans-84.7121.2180-59.4178.1000108.7V58 C59 M62 W66 Q68 I69 L81 V87V58-I64 HydrophobicContact CG1-CB 3.96Å; V58-I64 HydrophobicContact CG1-CD1 3.89Å; V58-I64 HydrophobicContact CG1-CG1 4.29Å; V58-I64 PolarHBondContact O-N 3.38Å; C59-I64 VanDerWaalsContact CA-O 3.29Å; C59-I64 WeakPolarHBondContact CA-O 2.91Å; M62-I64 HydrophobicContact CB-CD1 4.5Å; M62-I64 HydrophobicContact CB-CG1 4.38Å; M62-I64 PolarHBondContact O-N 3.24Å; I64-W66 PolarHBondContact O-N 3.48Å; I64-Q68 HydrophobicContact CG2-CB 4.11Å; I64-I69 HydrophobicContact CB-CG1 4.28Å; I64-I69 HydrophobicContact CG2-CG1 3.82Å; I64-L81 HydrophobicContact CD1-CD2 3.8Å; I64-V87 HydrophobicContact CG1-CG2 3.93Å
65P93.4Very high92Very high62 Ų6247 Ų4740%0.40326%0.26SS..  trans-53.5138.1179.6-26.334.3000112G63 S67 Q68 I69G63-P65 WeakPolarHBondContact O-CD 3.25Å; P65-S67 PolarHBondContact O-N 2.88Å; P65-Q68 HydrophobicContact CB-CB 4.47Å; P65-Q68 HydrophobicContact CB-CG 4.22Å; P65-Q68 HydrophobicContact CG-CG 4.49Å; P65-Q68 WeakPolarHBondContact O-CA 3.36Å; P65-Q68 WeakPolarHBondContact O-CB 3.28Å; P65-Q68 PolarHBondContact O-N 3.35Å; P65-I69 PolarHBondContact O-N 3.28Å
66W95.2Very high91Very high7 Ų755.2 Ų55.23%0.02729%0.29CS..G310 helixtrans-50.6-38.4-174.5-171.8-78.8000113.4C26 L52 R55 K56 C59 I64 Q68 I69 A264 S265C26-W66 HydrophobicContact CB-CZ2 3.89Å; C26-W66 WeakPolarHBondContact O-CZ2 3.15Å; C26-W66 PolarHBondContact O-NE1 3.16Å; L52-W66 HydrophobicContact CD2-CH2 4.09Å; L52-W66 HydrophobicContact CD2-CZ2 3.88Å; R55-W66 HydrophobicContact CB-CD2 4.05Å; R55-W66 HydrophobicContact CB-CE3 3.96Å; R55-W66 HydrophobicContact CB-CH2 3.45Å; R55-W66 VanDerWaalsContact CB-CH2 3.45Å; R55-W66 HydrophobicContact CB-CZ2 3.51Å; R55-W66 HydrophobicContact CB-CZ3 3.69Å; R55-W66 HydrophobicContact CG-CZ2 4.21Å; R55-W66 PolarHBondContact NH2-O 3.08Å; K56-W66 HydrophobicContact CB-CZ3 4.15Å; K56-W66 VanDerWaalsContact N-CZ3 3.35Å; C59-W66 HydrophobicContact CB-CE3 4.1Å; I64-W66 PolarHBondContact O-N 3.48Å; W66-Q68 VanDerWaalsContact C-N 3.3Å; W66-Q68 PolarHBondContact O-N 2.96Å; W66-I69 PolarHBondContact O-N 3.07Å; W66-A264 HydrophobicContact CD2-CB 4.06Å; W66-A264 HydrophobicContact CE3-CB 4.12Å; W66-A264 HydrophobicContact CH2-CB 3.67Å; W66-A264 HydrophobicContact CZ2-CB 3.61Å; W66-A264 HydrophobicContact CZ3-CB 3.92Å; W66-S265 PolarHBondContact NE1-O 2.54Å
67S93.9Very high90.1Very high63 Ų6355.8 Ų55.844%0.44130%0.301SS..G310 helixtrans-70.4-21178.756.60000115P65 R70P65-S67 PolarHBondContact O-N 2.88Å; S67-R70 PolarHBondContact O-NH1 3.36Å
68Q92.6Very high89.4Confident120 Ų12059 Ų5956%0.56132%0.315SS*.G310 helixtrans-93.5-13.9-178.4-62.7-177.56.600112.8I64 P65 W66 R70I64-Q68 HydrophobicContact CG2-CB 4.11Å; P65-Q68 HydrophobicContact CB-CB 4.47Å; P65-Q68 HydrophobicContact CB-CG 4.22Å; P65-Q68 HydrophobicContact CG-CG 4.49Å; P65-Q68 WeakPolarHBondContact O-CA 3.36Å; P65-Q68 WeakPolarHBondContact O-CB 3.28Å; P65-Q68 PolarHBondContact O-N 3.35Å; W66-Q68 VanDerWaalsContact C-N 3.3Å; W66-Q68 PolarHBondContact O-N 2.96Å; Q68-R70 PolarHBondContact O-N 2.98Å
69I93Very high88.9Confident1 Ų159.8 Ų59.81%0.00532%0.32CS..  trans-63120.6179.1-56.6170000109.9R55 V58 C59 I64 P65 W66 L71 L81R55-I69 HydrophobicContact CB-CD1 4.17Å; R55-I69 HydrophobicContact CG-CG2 4.48Å; R55-I69 PolarHBondContact NH1-O 2.69Å; R55-I69 PolarHBondContact NH2-O 3.44Å; R55-I69 VanDerWaalsContact O-CD1 3.28Å; R55-I69 WeakPolarHBondContact O-CD1 3.2Å; V58-I69 HydrophobicContact CB-CD1 3.96Å; V58-I69 HydrophobicContact CB-CG1 4.34Å; V58-I69 HydrophobicContact CB-CG2 4.35Å; V58-I69 HydrophobicContact CG1-CB 4.47Å; V58-I69 HydrophobicContact CG1-CD1 3.89Å; V58-I69 HydrophobicContact CG1-CG1 3.74Å; V58-I69 HydrophobicContact CG1-CG2 4.02Å; C59-I69 HydrophobicContact CB-CD1 4.07Å; I64-I69 HydrophobicContact CB-CG1 4.28Å; I64-I69 HydrophobicContact CG2-CG1 3.82Å; P65-I69 PolarHBondContact O-N 3.28Å; W66-I69 PolarHBondContact O-N 3.07Å; I69-L71 HydrophobicContact CG2-CD1 4.45Å; I69-L71 HydrophobicContact CG2-CD2 4.14Å; I69-L71 HydrophobicContact CG2-CG 3.93Å; I69-L81 HydrophobicContact CG2-CD1 4.19Å
70R91.9Very high88.6Confident124 Ų12463.6 Ų63.647%0.46833%0.332SS..  trans-116.9105.4174.4-65.7-63.8-178.6-84.50.7109.9S67 Q68 A82S67-R70 PolarHBondContact O-NH1 3.36Å; Q68-R70 PolarHBondContact O-N 2.98Å; R70-A82 HydrophobicContact CB-CB 4.32Å; R70-A82 WeakPolarHBondContact O-CB 3.3Å; R70-A82 PolarHBondContact O-N 3.39Å
71L90.8Very high88.3Confident5 Ų560.9 Ų60.93%0.02632%0.319CS..EExtended strand (participates in β ladder)trans-97.8131.2174.6-59.4169.4000109Q28 L54 R55 I69 Y80 L81Q28-L71 PolarHBondContact NE2-O 2.9Å; Q28-L71 VanDerWaalsContact NE2-O 3.1Å; L54-L71 HydrophobicContact CB-CD1 4.5Å; L54-L71 HydrophobicContact CD2-CD1 3.59Å; L54-L71 HydrophobicContact CD2-CD2 3.84Å; L54-L71 HydrophobicContact CD2-CG 4.28Å; L54-L71 HydrophobicContact CG-CD1 3.81Å; L54-L71 HydrophobicContact CG-CD2 4Å; R55-L71 HydrophobicContact CG-CD1 4.07Å; I69-L71 HydrophobicContact CG2-CD1 4.45Å; I69-L71 HydrophobicContact CG2-CD2 4.14Å; I69-L71 HydrophobicContact CG2-CG 3.93Å; L71-Y80 CarbonylContact C-O 3.51Å; L71-Y80 WeakPolarHBondContact CA-O 3.49Å; L71-L81 HydrophobicContact CD2-CD1 4.24Å
72N89.9Confident87.8Confident69 Ų6959.2 Ų59.237%0.36932%0.317SS..EExtended strand (participates in β ladder)trans-113.2177.9170.3-76.7-3.6000109.6P79 Y80 A82N72-P79 CarbonylContact O-C 3.6Å; N72-P79 VanDerWaalsContact O-CA 3.24Å; N72-P79 WeakPolarHBondContact O-CA 3.29Å; N72-Y80 HydrophobicContact CB-CD1 4.24Å; N72-Y80 HydrophobicContact CB-CE1 3.62Å; N72-Y80 HydrophobicContact CB-CE2 4.03Å; N72-Y80 VanDerWaalsContact CB-CZ 3.49Å; N72-Y80 PolarHBondContact N-O 3.06Å; N72-Y80 PolarHBondContact O-N 3.45Å; N72-A82 HydrophobicContact CB-CB 4.17Å; N72-A82 WeakPolarHBondContact ND2-CB 3.49Å
73R85.6Confident86.9Confident70 Ų7060.4 Ų60.426%0.26433%0.332SS..EExtended strand (participates in β ladder)trans-124138.9173.9-70.4-178.7178.9-103.313.2110.5E31 R51 G77 K78 Y80E31-R73 IonicContact OE1-CZ 3.74Å; E31-R73 IonicContact OE1-NE 3.16Å; E31-R73 PolarHBondContact OE1-NE 2.93Å; E31-R73 IonicContact OE1-NH2 3.37Å; E31-R73 PolarHBondContact OE1-NH2 3.01Å; E31-R73 VanDerWaalsContact OE1-NH2 3.16Å; E31-R73 IonicContact OE2-CZ 2.69Å; E31-R73 IonicContact OE2-NE 2.78Å; E31-R73 IonicContact OE2-NH2 3.75Å; E31-R73 PolarHBondContact OE2-NH2 3.3Å; R51-R73 VanDerWaalsContact CZ-NH2 3.3Å; R73-G77 PolarHBondContact NH1-O 3.1Å; R73-K78 WeakPolarHBondContact CA-O 3.42Å; R73-Y80 VanDerWaalsContact C-CE1 3.41Å
74S84.7Confident85.1Confident38 Ų3862.6 Ų62.627%0.26634%0.337SS..  trans-64.7166.7170.575.90000110.2R76 G77 K78S74-R76 PolarHBondContact O-N 3.41Å; S74-R76 PolarHBondContact OG-N 3.14Å; S74-G77 WeakPolarHBondContact O-CA 3.41Å; S74-G77 PolarHBondContact O-N 3.36Å; S74-K78 PolarHBondContact N-O 3.47Å; S74-K78 PolarHBondContact OG-N 3Å
75P82.4Confident83.6Confident146 Ų14668.1 Ų68.195%0.94837%0.366SS*.THydrogen-bonded Turntrans-55.1-24.4172.9-27.536.1000113.7G77P75-G77 VanDerWaalsContact C-N 3.35Å
76R77.2Confident81.4Confident173 Ų17373.6 Ų73.665%0.65339%0.386SS*.THydrogen-bonded Turntrans-91.57176-62.8-177.5177.8148.6-3.3113.4S74 K78 G178 T179S74-R76 PolarHBondContact O-N 3.41Å; S74-R76 PolarHBondContact OG-N 3.14Å; R76-K78 PolarHBondContact O-N 3.46Å; R76-G178 PolarHBondContact NH1-O 3.37Å; R76-T179 PolarHBondContact NE-O 2.86Å; R76-T179 VanDerWaalsContact NH1-C 3.35Å; R76-T179 PolarHBondContact NH1-O 2.76Å; R76-T179 VanDerWaalsContact NH1-O 3.07Å
77G77.7Confident79.3Confident28 Ų2876.5 Ų76.529%0.28941%0.405SS..  trans83.5-0.9175.600000116.1R73 S74 P75R73-G77 PolarHBondContact NH1-O 3.1Å; S74-G77 WeakPolarHBondContact O-CA 3.41Å; S74-G77 PolarHBondContact O-N 3.36Å; P75-G77 VanDerWaalsContact C-N 3.35Å
78K81.8Confident77.2Confident68 Ų6877.9 Ų77.930%0.29641%0.411SS..  trans-67.5123.3177.9-177.5173.9176172.60109.3R73 S74 R76 K175R73-K78 WeakPolarHBondContact CA-O 3.42Å; S74-K78 PolarHBondContact N-O 3.47Å; S74-K78 PolarHBondContact OG-N 3Å; R76-K78 PolarHBondContact O-N 3.46Å; K78-K175 PolarHBondContact NZ-O 3.43Å
79P84.6Confident75Confident16 Ų1679.1 Ų79.110%0.10443%0.427CS..EExtended strand (participates in β ladder)trans-69.8139.7177.330-34.3000111.1L54 N72 I99L54-P79 HydrophobicContact CD2-CB 3.9Å; L54-P79 HydrophobicContact CD2-CG 4.12Å; N72-P79 CarbonylContact O-C 3.6Å; N72-P79 VanDerWaalsContact O-CA 3.24Å; N72-P79 WeakPolarHBondContact O-CA 3.29Å; P79-I99 HydrophobicContact CG-CG2 4.17Å
80Y87.1Confident73.4Confident104 Ų10481.1 Ų81.141%0.40845%0.448SS..EExtended strand (participates in β ladder)trans-142.6157.9175.972.4-87.1000110.8L71 N72 R73L71-Y80 CarbonylContact C-O 3.51Å; L71-Y80 WeakPolarHBondContact CA-O 3.49Å; N72-Y80 HydrophobicContact CB-CD1 4.24Å; N72-Y80 HydrophobicContact CB-CE1 3.62Å; N72-Y80 HydrophobicContact CB-CE2 4.03Å; N72-Y80 VanDerWaalsContact CB-CZ 3.49Å; N72-Y80 PolarHBondContact N-O 3.06Å; N72-Y80 PolarHBondContact O-N 3.45Å; R73-Y80 VanDerWaalsContact C-CE1 3.41Å
81L88.1Confident72.1Confident16 Ų1681.2 Ų81.28%0.08447%0.467CS..EExtended strand (participates in β ladder)trans-81.5123.3177.8-175.269000109.9V58 M62 I64 I69 L71 F97V58-L81 HydrophobicContact CG1-CD1 4.07Å; V58-L81 HydrophobicContact CG1-CD2 4.4Å; M62-L81 HydrophobicContact CE-CD2 3.52Å; M62-L81 HydrophobicContact SD-CD2 4.08Å; I64-L81 HydrophobicContact CD1-CD2 3.8Å; I69-L81 HydrophobicContact CG2-CD1 4.19Å; L71-L81 HydrophobicContact CD2-CD1 4.24Å; L81-F97 HydrophobicContact CB-CZ 4.33Å
82A82.9Confident71.4Confident37 Ų3785.7 Ų85.731%0.30649%0.491SS..  trans-79.1-41.6-166.200000115R70 N72R70-A82 HydrophobicContact CB-CB 4.32Å; R70-A82 WeakPolarHBondContact O-CB 3.3Å; R70-A82 PolarHBondContact O-N 3.39Å; N72-A82 HydrophobicContact CB-CB 4.17Å; N72-A82 WeakPolarHBondContact ND2-CB 3.49Å
83A70.4Confident71Confident58 Ų5884.1 Ų84.148%0.47949%0.485SS..SBendtrans158.8162.1176.700000110
84P53Low71Confident94 Ų9484.6 Ų84.661%0.6150%0.497SS*.  cis-83.1136.8-4.2-0.919.8000111.3Q86P84-Q86 PolarHBondContact O-N 3.07Å; P84-Q86 VanDerWaalsContact O-N 3.14Å
85L59.3Low71.2Confident132 Ų13285 Ų8569%0.69149%0.493SS*.  trans-70.35.2170.8-75.7157.9000113V87L85-V87 PolarHBondContact O-N 2.79Å; L85-V87 VanDerWaalsContact O-N 3.11Å
86Q48.6Very low71.7Confident176 Ų17679.7 Ų79.782%0.82246%0.459SS*.  trans-87.372.7179.7-73.4-171.6-10.600111.8P84P84-Q86 PolarHBondContact O-N 3.07Å; P84-Q86 VanDerWaalsContact O-N 3.14Å
87V50.4Low72.5Confident69 Ų6973 Ų7342%0.41844%0.435SS..  trans-138.251.4148.7-163.20000108.5M62 I64 L85M62-V87 WeakPolarHBondContact O-CB 3.47Å; M62-V87 WeakPolarHBondContact O-CG1 3.4Å; I64-V87 HydrophobicContact CG1-CG2 3.93Å; L85-V87 PolarHBondContact O-N 2.79Å; L85-V87 VanDerWaalsContact O-N 3.11Å
88T49.3Very low73.3Confident92 Ų9272.1 Ų72.156%0.56442%0.424SS*.  trans-105.781.215355.60000106.2G90T88-G90 PolarHBondContact O-N 3.18Å; T88-G90 VanDerWaalsContact O-N 3.11Å
89T47.4Very low74Confident146 Ų14670.1 Ų70.190%0.89642%0.416SS*.  trans-74.219168.850.40000111.8
90G57.8Low74.6Confident43 Ų4369.7 Ų69.744%0.44341%0.414SS..SBendtrans-154.8170-174.300000112.3T88 D92T88-G90 PolarHBondContact O-N 3.18Å; T88-G90 VanDerWaalsContact O-N 3.11Å; G90-D92 PolarHBondContact O-N 3.11Å; G90-D92 VanDerWaalsContact O-N 3.16Å
91S65.9Low75.1Confident125 Ų12569 Ų6987%0.87441%0.414SS*.SBendtrans-75.313-178.954.80000114.7
92D74.9Confident75.4Confident100 Ų10071.4 Ų71.454%0.53542%0.424SS..PPolyproline II helixtrans-77.3143.3-176.1-73.2-33.4000111.6G90G90-D92 PolarHBondContact O-N 3.11Å; G90-D92 VanDerWaalsContact O-N 3.16Å
93P82.4Confident75.9Confident36 Ų3671.3 Ų71.323%0.23443%0.427CS..PPolyproline II helixtrans-60.7151.7175.9-21.331.9000112.7M1 Q112 G113M1-P93 HydrophobicContact CE-CG 4.43Å; P93-Q112 HydrophobicContact CB-CB 4.33Å; P93-Q112 WeakPolarHBondContact O-CG 3.34Å; P93-G113 VanDerWaalsContact CB-CA 3.48Å
94P85.4Confident77.1Confident80 Ų8071 Ų7152%0.51942%0.417SS..PPolyproline II helixtrans-63.7149.8-179.727.3-35.1000112Q112 G113P94-Q112 WeakPolarHBondContact O-CA 3.42Å; P94-G113 PolarHBondContact O-N 3.14Å
95W89.8Confident79.3Confident45 Ų4566.5 Ų66.517%0.1739%0.388CS..EExtended strand (participates in β ladder)trans-80.6130.6174.1-76.7103.7000111.8G2 V4 F57 M61 A110 Q112G2-W95 WeakPolarHBondContact O-CH2 3.49Å; G2-W95 WeakPolarHBondContact O-CZ3 3.42Å; V4-W95 HydrophobicContact CG2-CH2 4.15Å; V4-W95 HydrophobicContact CG2-CZ3 4.27Å; F57-W95 HydrophobicContact CE2-CD2 4.21Å; F57-W95 AromaticContact CE2-CE3 3.94Å; F57-W95 HydrophobicContact CE2-CE3 3.94Å; F57-W95 HydrophobicContact CE2-CZ3 4.11Å; F57-W95 HydrophobicContact CZ-CB 4.1Å; F57-W95 AromaticContact CZ-CD2 3.8Å; F57-W95 HydrophobicContact CZ-CD2 3.8Å; F57-W95 AromaticContact CZ-CE3 3.74Å; F57-W95 HydrophobicContact CZ-CE3 3.74Å; F57-W95 AromaticContact CZ-CG 3.99Å; F57-W95 HydrophobicContact CZ-CG 3.99Å; F57-W95 HydrophobicContact CZ-CZ3 4.38Å; M61-W95 HydrophobicContact CB-CZ2 4.27Å; M61-W95 HydrophobicContact CE-CH2 3.9Å; M61-W95 HydrophobicContact CE-CZ2 3.76Å; W95-A110 HydrophobicContact CE3-CB 3.94Å; W95-A110 HydrophobicContact CZ3-CB 4.06Å; W95-Q112 HydrophobicContact CD2-CG 3.45Å; W95-Q112 VanDerWaalsContact CD2-CG 3.45Å; W95-Q112 VanDerWaalsContact CE2-CG 3.45Å; W95-Q112 HydrophobicContact CE3-CG 3.76Å; W95-Q112 HydrophobicContact CG-CG 3.96Å; W95-Q112 HydrophobicContact CH2-CG 4.09Å; W95-Q112 HydrophobicContact CZ2-CG 3.78Å; W95-Q112 HydrophobicContact CZ3-CG 4.06Å
96S91.4Very high81.2Confident36 Ų3660.2 Ų60.225%0.25236%0.355SS..EExtended strand (participates in β ladder)trans-103.5145.8158.8-60.20000109.3A110 Q111 V114 V116S96-A110 CarbonylContact O-C 3.53Å; S96-A110 WeakPolarHBondContact O-CA 3.11Å; S96-A110 WeakPolarHBondContact O-CB 3.31Å; S96-Q111 PolarHBondContact N-O 3.37Å; S96-Q111 PolarHBondContact O-N 3.15Å; S96-V114 WeakPolarHBondContact CB-O 3.42Å; S96-V114 PolarHBondContact OG-O 3.3Å; S96-V116 WeakPolarHBondContact O-CG1 3.42Å
97F94.1Very high83.5Confident32 Ų3251.8 Ų51.814%0.1432%0.316CS..EExtended strand (participates in β ladder)trans-143.3154175.359.3-95.5000112L54 F57 L81 A109 A110 V116L54-F97 HydrophobicContact CD1-CD2 3.41Å; L54-F97 VanDerWaalsContact CD1-CD2 3.41Å; L54-F97 HydrophobicContact CD1-CE2 3.29Å; L54-F97 HydrophobicContact CD1-CG 4.19Å; L54-F97 HydrophobicContact CD1-CZ 3.95Å; L54-F97 HydrophobicContact CD2-CE2 4.37Å; L54-F97 HydrophobicContact CG-CE2 4.45Å; F57-F97 HydrophobicContact CD1-CB 4.22Å; F57-F97 HydrophobicContact CD1-CD1 4.15Å; F57-F97 HydrophobicContact CD1-CG 4.22Å; F57-F97 HydrophobicContact CE1-CB 3.85Å; F57-F97 AromaticContact CE1-CD1 3.55Å; F57-F97 HydrophobicContact CE1-CD1 3.55Å; F57-F97 HydrophobicContact CE1-CE1 4.38Å; F57-F97 AromaticContact CE1-CG 3.91Å; F57-F97 HydrophobicContact CE1-CG 3.91Å; F57-F97 HydrophobicContact CZ-CB 4.37Å; F57-F97 HydrophobicContact CZ-CD1 4.48Å; L81-F97 HydrophobicContact CB-CZ 4.33Å; F97-A109 CarbonylContact C-O 3.51Å; F97-A109 VanDerWaalsContact CA-O 3.27Å; F97-A109 WeakPolarHBondContact CA-O 3.43Å; F97-A110 HydrophobicContact CB-CB 3.74Å; F97-V116 VanDerWaalsContact CA-CG1 3.43Å
98N95.9Very high85.8Confident9 Ų948.5 Ų48.55%0.04830%0.296CS..EExtended strand (participates in β ladder)trans-146.2159.1173.4-167-112.7000111L108 A109 V116 V118N98-L108 WeakPolarHBondContact O-CA 3.11Å; N98-A109 PolarHBondContact N-O 3.36Å; N98-A109 PolarHBondContact O-N 3.32Å; N98-V116 HydrophobicContact CB-CG1 4.41Å; N98-V116 WeakPolarHBondContact CB-O 3.47Å; N98-V118 VanDerWaalsContact C-CG1 3.5Å; N98-V118 HydrophobicContact CB-CG1 4.06Å; N98-V118 WeakPolarHBondContact O-CG1 3.45Å; N98-V118 PolarHBondContact OD1-N 2.83Å; N98-V118 PolarHBondContact OD1-O 3.04Å
99I96.5Very high88.1Confident26 Ų2644.1 Ų44.113%0.13327%0.269CS..EExtended strand (participates in β ladder)trans-137.6142.6-177.1-159172.8000110.4G50 L53 P79 V107 L108G50-I99 WeakPolarHBondContact O-CD1 3.38Å; L53-I99 HydrophobicContact CB-CD1 4.33Å; P79-I99 HydrophobicContact CG-CG2 4.17Å; I99-V107 VanDerWaalsContact CA-O 3.31Å; I99-V107 WeakPolarHBondContact CA-O 3.43Å; I99-V107 WeakPolarHBondContact CG1-O 3.42Å; I99-L108 HydrophobicContact CG1-CB 4.43Å
100S97.1Very high90.4Very high8 Ų837.2 Ų37.26%0.05623%0.227CC..EExtended strand (participates in β ladder)trans-137.1156.6170.2-165.20000110.5A106 V107 V118 D119 K175S100-A106 CarbonylContact O-C 3.2Å; S100-A106 WeakPolarHBondContact O-CA 3.24Å; S100-V107 PolarHBondContact N-O 2.66Å; S100-V107 PolarHBondContact O-N 2.92Å; S100-V118 WeakPolarHBondContact CB-O 3.18Å; S100-D119 PolarHBondContact OG-OD1 3.46Å; S100-K175 PolarHBondContact OG-NZ 2.62Å
101H96.4Very high92.1Very high89 Ų8935.1 Ų35.141%0.41221%0.206SC..EExtended strand (participates in β ladder)trans-147131.8169.859.973.9000109.7Y105 A106H101-Y105 CarbonylContact C-O 3.59Å; H101-Y105 WeakPolarHBondContact CA-O 2.94Å; H101-Y105 WeakPolarHBondContact CB-O 3.41Å; H101-A106 HydrophobicContact CB-CB 3.9Å
102Q94.9Very high93.2Very high66 Ų6630 Ų3031%0.30817%0.168SC..EExtended strand (participates in β ladder)trans-161.3151.5173.5-148.1-147.343.700109.6D104 Y105 V120 M121Q102-D104 PolarHBondContact O-N 2.89Å; Q102-Y105 PolarHBondContact N-O 3.29Å; Q102-Y105 PolarHBondContact O-N 3.4Å; Q102-V120 HydrophobicContact CB-CG1 4.26Å; Q102-V120 WeakPolarHBondContact CB-O 3.33Å; Q102-M121 HydrophobicContact CG-SD 4.49Å; Q102-M121 PolarHBondContact NE2-SD 3.07Å; Q102-M121 PolarHBondContact OE1-SD 3.19Å
103G92.8Very high93.8Very high35 Ų3525.5 Ų25.536%0.36115%0.145SC..THydrogen-bonded Turntrans59.3-121.4-174.300000110.4
104D96.6Very high94.2Very high51 Ų5124.7 Ų24.727%0.27314%0.139SC..THydrogen-bonded Turntrans-98.30.5-172.9-59.3-51.9000113.6R9 C10 G11 Q102 K122 H229R9-D104 CarbonylContact C-O 3.54Å; R9-D104 VanDerWaalsContact CA-O 3.3Å; R9-D104 WeakPolarHBondContact CA-O 3.26Å; R9-D104 HydrophobicContact CG-CB 4.5Å; C10-D104 PolarHBondContact N-O 2.87Å; C10-D104 VanDerWaalsContact SG-C 3.59Å; C10-D104 PolarHBondContact SG-O 3.45Å; G11-D104 PolarHBondContact N-O 3.31Å; Q102-D104 PolarHBondContact O-N 2.89Å; D104-K122 IonicContact OD2-NZ 2.83Å; D104-K122 PolarHBondContact OD2-NZ 2.86Å; D104-H229 PolarHBondContact N-NE2 3.32Å; D104-H229 IonicContact OD2-CE1 2.99Å; D104-H229 PolarHBondContact OD2-CE1 3.13Å; D104-H229 VanDerWaalsContact OD2-CE1 3.29Å; D104-H229 IonicContact OD2-NE2 3.62Å
105Y98.4Very high94.5Very high0 Ų023.3 Ų23.30%013%0.126CC..EExtended strand (participates in β ladder)trans-125.8146.8-174.1-63.2-96.5000114.2F8 R9 H101 Q102 L225 D226 H229 L254F8-Y105 WeakPolarHBondContact O-CA 3.33Å; R9-Y105 HydrophobicContact CB-CD1 4.05Å; R9-Y105 HydrophobicContact CB-CE1 3.77Å; R9-Y105 HydrophobicContact CG-CD1 4.32Å; R9-Y105 HydrophobicContact CG-CE1 3.87Å; R9-Y105 HydrophobicContact CG-CE2 4.44Å; R9-Y105 PolarHBondContact NE-OH 3.3Å; R9-Y105 PolarHBondContact NH2-OH 3.46Å; H101-Y105 CarbonylContact C-O 3.59Å; H101-Y105 WeakPolarHBondContact CA-O 2.94Å; H101-Y105 WeakPolarHBondContact CB-O 3.41Å; Q102-Y105 PolarHBondContact N-O 3.29Å; Q102-Y105 PolarHBondContact O-N 3.4Å; Y105-L225 HydrophobicContact CD1-CB 4.47Å; Y105-L225 HydrophobicContact CD1-CD1 3.57Å; Y105-L225 HydrophobicContact CD2-CD1 3.99Å; Y105-L225 HydrophobicContact CE1-CB 4.06Å; Y105-L225 HydrophobicContact CE1-CD1 4.01Å; Y105-L225 HydrophobicContact CE2-CB 4.15Å; Y105-L225 HydrophobicContact CE2-CD1 4.4Å; Y105-L225 HydrophobicContact CG-CD1 3.53Å; Y105-D226 WeakPolarHBondContact CE2-OD2 3.34Å; Y105-D226 PolarHBondContact OH-OD2 3.34Å; Y105-H229 HydrophobicContact CD2-CB 4.18Å; Y105-H229 AromaticContact CD2-CD2 3.57Å; Y105-H229 AromaticContact CD2-CE1 3.97Å; Y105-H229 AromaticContact CD2-CG 3.66Å; Y105-H229 AromaticContact CD2-ND1 3.94Å; Y105-H229 AromaticContact CD2-NE2 3.78Å; Y105-H229 HydrophobicContact CE2-CB 4.15Å; Y105-H229 AromaticContact CE2-CD2 3.98Å; Y105-H229 AromaticContact CE2-CE1 3.75Å; Y105-H229 AromaticContact CE2-CG 3.66Å; Y105-H229 AromaticContact CE2-ND1 3.53Å; Y105-L254 HydrophobicContact CD1-CD2 4.03Å; Y105-L254 HydrophobicContact CE1-CD1 4.11Å; Y105-L254 HydrophobicContact CE1-CD2 3.8Å
106A98.5Very high94.8Very high0 Ų021.3 Ų21.30%012%0.119CC..EExtended strand (participates in β ladder)trans-108.3136.1153.600000108.5G7 F8 A49 L53 S100 H101G7-A106 CarbonylContact C-O 3.53Å; G7-A106 WeakPolarHBondContact CA-O 3.39Å; F8-A106 PolarHBondContact N-O 3.26Å; F8-A106 PolarHBondContact O-N 3.32Å; A49-A106 HydrophobicContact CB-CB 3.91Å; L53-A106 HydrophobicContact CD1-CB 3.94Å; S100-A106 CarbonylContact O-C 3.2Å; S100-A106 WeakPolarHBondContact O-CA 3.24Å; H101-A106 HydrophobicContact CB-CB 3.9Å
107V98.6Very high95Very high0 Ų019.6 Ų19.60%011%0.107CC..EExtended strand (participates in β ladder)trans-129.4141.6-178.5-63.30000111W6 I99 S100 V118 V120 L225 V231 F252W6-V107 CarbonylContact O-C 3.53Å; W6-V107 VanDerWaalsContact O-CA 3.3Å; W6-V107 WeakPolarHBondContact O-CA 3.38Å; I99-V107 VanDerWaalsContact CA-O 3.31Å; I99-V107 WeakPolarHBondContact CA-O 3.43Å; I99-V107 WeakPolarHBondContact CG1-O 3.42Å; S100-V107 PolarHBondContact N-O 2.66Å; S100-V107 PolarHBondContact O-N 2.92Å; V107-V118 HydrophobicContact CB-CG2 4.49Å; V107-V118 HydrophobicContact CG2-CG1 4.37Å; V107-V118 HydrophobicContact CG2-CG2 3.67Å; V107-V120 HydrophobicContact CG1-CB 4.36Å; V107-V120 HydrophobicContact CG1-CG1 4.49Å; V107-V120 HydrophobicContact CG2-CB 3.84Å; V107-V120 HydrophobicContact CG2-CG1 3.75Å; V107-L225 HydrophobicContact CG1-CD1 3.71Å; V107-V231 HydrophobicContact CG1-CG2 4.37Å; V107-F252 HydrophobicContact CB-CD1 4.37Å; V107-F252 HydrophobicContact CB-CE1 3.78Å; V107-F252 HydrophobicContact CB-CZ 4.44Å; V107-F252 HydrophobicContact CG1-CD1 4.29Å; V107-F252 HydrophobicContact CG1-CE1 4.13Å
108L98.4Very high95.2Very high0 Ų018.1 Ų18.10%010%0.1CC..EExtended strand (participates in β ladder)trans-123.5132.1173.6-179.1148.2000109.4V4 W6 L53 L54 F57 N98 I99 A110V4-L108 HydrophobicContact CG1-CD2 3.98Å; W6-L108 PolarHBondContact N-O 3.05Å; W6-L108 PolarHBondContact O-N 3.24Å; L53-L108 HydrophobicContact CB-CB 4.26Å; L53-L108 HydrophobicContact CB-CD1 4.2Å; L53-L108 HydrophobicContact CD1-CB 4.48Å; L54-L108 HydrophobicContact CB-CD1 4.33Å; L54-L108 HydrophobicContact CD1-CD1 4.3Å; F57-L108 HydrophobicContact CB-CD1 3.91Å; F57-L108 HydrophobicContact CB-CD2 4.1Å; F57-L108 HydrophobicContact CD2-CD2 4.16Å; F57-L108 HydrophobicContact CG-CD1 4.4Å; F57-L108 HydrophobicContact CG-CD2 4.08Å; N98-L108 WeakPolarHBondContact O-CA 3.11Å; I99-L108 HydrophobicContact CG1-CB 4.43Å; L108-A110 HydrophobicContact CD2-CB 4.23Å
109A97.7Very high95.4Very high0 Ų017.8 Ų17.80%010%0.098CC..EExtended strand (participates in β ladder)trans-119.3136.7168.200000109.4V4 F97 N98 V116 V118 V233V4-A109 WeakPolarHBondContact O-CA 3.15Å; F97-A109 CarbonylContact C-O 3.51Å; F97-A109 VanDerWaalsContact CA-O 3.27Å; F97-A109 WeakPolarHBondContact CA-O 3.43Å; N98-A109 PolarHBondContact N-O 3.36Å; N98-A109 PolarHBondContact O-N 3.32Å; A109-V116 HydrophobicContact CB-CG2 3.86Å; A109-V118 HydrophobicContact CB-CB 3.77Å; A109-V118 HydrophobicContact CB-CG1 4.11Å; A109-V118 HydrophobicContact CB-CG2 4.22Å; A109-V233 HydrophobicContact CB-CG1 3.86Å; A109-V233 HydrophobicContact CB-CG2 4.03Å
110A95.1Very high95.4Very high0 Ų016.5 Ų16.50%09%0.092CC..EExtended strand (participates in β ladder)trans-139.7149.8171.700000111.2V4 R5 F57 W95 S96 F97 L108V4-A110 HydrophobicContact CB-CB 4.1Å; V4-A110 PolarHBondContact N-O 3.41Å; V4-A110 PolarHBondContact O-N 3.23Å; R5-A110 PolarHBondContact NH1-O 3.29Å; F57-A110 HydrophobicContact CD2-CB 3.88Å; F57-A110 HydrophobicContact CE1-CB 4.1Å; F57-A110 HydrophobicContact CE2-CB 3.24Å; F57-A110 HydrophobicContact CZ-CB 3.38Å; W95-A110 HydrophobicContact CE3-CB 3.94Å; W95-A110 HydrophobicContact CZ3-CB 4.06Å; S96-A110 CarbonylContact O-C 3.53Å; S96-A110 WeakPolarHBondContact O-CA 3.11Å; S96-A110 WeakPolarHBondContact O-CB 3.31Å; F97-A110 HydrophobicContact CB-CB 3.74Å; L108-A110 HydrophobicContact CD2-CB 4.23Å
111Q93.3Very high95.4Very high0 Ų016.9 Ų16.90%09%0.093CC..EExtended strand (participates in β ladder)trans-151.4140.7-178.4-17266.923.600110.4S3 S96 V114 L235S3-Q111 PolarHBondContact OG-OE1 3.47Å; S3-Q111 VanDerWaalsContact OG-OE1 3.06Å; S96-Q111 PolarHBondContact N-O 3.37Å; S96-Q111 PolarHBondContact O-N 3.15Å; Q111-V114 HydrophobicContact CB-CG2 3.74Å; Q111-V114 HydrophobicContact CG-CG2 3.16Å; Q111-L235 HydrophobicContact CB-CD2 4.13Å; Q111-L235 HydrophobicContact CG-CD2 4.24Å
112Q90.2Very high95.4Very high18 Ų1814.9 Ų14.98%0.0848%0.083CC..EExtended strand (participates in β ladder)trans-81.6138.6170.3-73-177.9-35.500111.8M1 G2 P93 P94 W95 V114M1-Q112 HydrophobicContact CB-CB 4.32Å; M1-Q112 HydrophobicContact CG-CB 4.45Å; G2-Q112 PolarHBondContact O-N 3.07Å; G2-Q112 VanDerWaalsContact O-N 3.14Å; P93-Q112 HydrophobicContact CB-CB 4.33Å; P93-Q112 WeakPolarHBondContact O-CG 3.34Å; P94-Q112 WeakPolarHBondContact O-CA 3.42Å; W95-Q112 HydrophobicContact CD2-CG 3.45Å; W95-Q112 VanDerWaalsContact CD2-CG 3.45Å; W95-Q112 VanDerWaalsContact CE2-CG 3.45Å; W95-Q112 HydrophobicContact CE3-CG 3.76Å; W95-Q112 HydrophobicContact CG-CG 3.96Å; W95-Q112 HydrophobicContact CH2-CG 4.09Å; W95-Q112 HydrophobicContact CZ2-CG 3.78Å; W95-Q112 HydrophobicContact CZ3-CG 4.06Å; Q112-V114 VanDerWaalsContact C-N 3.29Å; Q112-V114 PolarHBondContact O-N 3.04Å
113G87.1Confident95.4Very high5 Ų512.1 Ų12.15%0.0527%0.071CC..SBendtrans78.24166.700000116.2P93 P94 A238P93-G113 VanDerWaalsContact CB-CA 3.48Å; P94-G113 PolarHBondContact O-N 3.14Å; G113-A238 WeakPolarHBondContact O-CB 3.29Å
114V90.6Very high95.3Very high18 Ų1813 Ų1311%0.1097%0.069CC..EExtended strand (participates in β ladder)trans-139.9160.6176-61.30000109.9S96 Q111 Q112 L235 G236 L246S96-V114 WeakPolarHBondContact CB-O 3.42Å; S96-V114 PolarHBondContact OG-O 3.3Å; Q111-V114 HydrophobicContact CB-CG2 3.74Å; Q111-V114 HydrophobicContact CG-CG2 3.16Å; Q112-V114 VanDerWaalsContact C-N 3.29Å; Q112-V114 PolarHBondContact O-N 3.04Å; V114-L235 HydrophobicContact CG2-CD2 4.19Å; V114-G236 WeakPolarHBondContact CB-O 3.46Å; V114-L246 HydrophobicContact CG1-CD2 4.02Å; V114-L246 HydrophobicContact CG2-CD2 4.21Å
115Q92.4Very high94.8Very high51 Ų5113.4 Ų13.424%0.2387%0.071CC..EExtended strand (participates in β ladder)trans-73.2148.2167.6-67.7-177.20.500109.9L235 G236 P237Q115-L235 WeakPolarHBondContact O-CA 3.49Å; Q115-G236 PolarHBondContact N-O 2.97Å; Q115-G236 PolarHBondContact O-N 2.97Å; Q115-G236 VanDerWaalsContact O-N 3.12Å; Q115-P237 WeakPolarHBondContact CG-O 3.24Å
116V94.8Very high93.8Very high4 Ų415.6 Ų15.62%0.0249%0.085CC..EExtended strand (participates in β ladder)trans-135.9138.3177.569.50000111.8S96 F97 N98 A109 V233 A234 L235S96-V116 WeakPolarHBondContact O-CG1 3.42Å; F97-V116 VanDerWaalsContact CA-CG1 3.43Å; N98-V116 HydrophobicContact CB-CG1 4.41Å; N98-V116 WeakPolarHBondContact CB-O 3.47Å; A109-V116 HydrophobicContact CB-CG2 3.86Å; V116-V233 HydrophobicContact CG2-CG1 3.68Å; V116-A234 VanDerWaalsContact CA-O 3.32Å; V116-A234 WeakPolarHBondContact CA-O 3.35Å; V116-L235 HydrophobicContact CB-CD2 4.19Å; V116-L235 HydrophobicContact CG2-CD2 3.83Å
117G96.8Very high92.5Very high0 Ų019.8 Ų19.80%013%0.128CC..EExtended strand (participates in β ladder)trans-132.4144.9166.400000109.7S172 V233 A234G117-S172 WeakPolarHBondContact CA-O 3.34Å; G117-V233 CarbonylContact O-C 3.51Å; G117-V233 VanDerWaalsContact O-CA 3.3Å; G117-V233 WeakPolarHBondContact O-CA 3.3Å; G117-A234 PolarHBondContact N-O 3.1Å; G117-A234 PolarHBondContact O-N 3.37Å
118V98.2Very high91.3Very high0 Ų020.6 Ų20.60%013%0.134CC..EExtended strand (participates in β ladder)trans-132.3141176630000109.5N98 S100 V107 A109 K175 V231 A232 V233 F252N98-V118 VanDerWaalsContact C-CG1 3.5Å; N98-V118 HydrophobicContact CB-CG1 4.06Å; N98-V118 WeakPolarHBondContact O-CG1 3.45Å; N98-V118 PolarHBondContact OD1-N 2.83Å; N98-V118 PolarHBondContact OD1-O 3.04Å; S100-V118 WeakPolarHBondContact CB-O 3.18Å; V107-V118 HydrophobicContact CB-CG2 4.49Å; V107-V118 HydrophobicContact CG2-CG1 4.37Å; V107-V118 HydrophobicContact CG2-CG2 3.67Å; A109-V118 HydrophobicContact CB-CB 3.77Å; A109-V118 HydrophobicContact CB-CG1 4.11Å; A109-V118 HydrophobicContact CB-CG2 4.22Å; V118-K175 WeakPolarHBondContact O-CD 3.49Å; V118-V231 HydrophobicContact CG2-CG1 3.88Å; V118-A232 WeakPolarHBondContact CA-O 3.45Å; V118-V233 HydrophobicContact CB-CG2 4.36Å; V118-V233 HydrophobicContact CG2-CG2 3.94Å; V118-F252 HydrophobicContact CG2-CZ 4.1Å
119D98.4Very high90.4Very high2 Ų227.5 Ų27.51%0.01117%0.171CC..EExtended strand (participates in β ladder)trans-133.6151.5167.2-164.746.4000112S100 M121 T168 E171 K175 V231 A232S100-D119 PolarHBondContact OG-OD1 3.46Å; D119-M121 WeakPolarHBondContact OD2-CE 3.48Å; D119-M121 WeakPolarHBondContact OD2-CG 3.44Å; D119-T168 VanDerWaalsContact C-CG2 3.47Å; D119-T168 HydrophobicContact CB-CG2 3.8Å; D119-T168 WeakPolarHBondContact O-CG2 3.15Å; D119-E171 HydrophobicContact CB-CB 3.81Å; D119-E171 WeakPolarHBondContact OD2-CB 3.48Å; D119-K175 HydrophobicContact CB-CD 4.49Å; D119-K175 IonicContact OD1-NZ 3.83Å; D119-K175 PolarHBondContact OD1-NZ 3.48Å; D119-V231 VanDerWaalsContact O-CA 3.3Å; D119-V231 WeakPolarHBondContact O-CA 3.22Å; D119-V231 WeakPolarHBondContact O-CG1 3.28Å; D119-A232 PolarHBondContact N-O 3.02Å; D119-A232 PolarHBondContact O-N 3.45Å
120V98.3Very high90.1Very high0 Ų029.6 Ų29.60%019%0.185CC..EExtended strand (participates in β ladder)trans-131.9132.5174.658.70000108.4Q102 V107 L225 H230 V231Q102-V120 HydrophobicContact CB-CG1 4.26Å; Q102-V120 WeakPolarHBondContact CB-O 3.33Å; V107-V120 HydrophobicContact CG1-CB 4.36Å; V107-V120 HydrophobicContact CG1-CG1 4.49Å; V107-V120 HydrophobicContact CG2-CB 3.84Å; V107-V120 HydrophobicContact CG2-CG1 3.75Å; V120-L225 HydrophobicContact CG2-CD1 4.32Å; V120-H230 CarbonylContact C-O 3.58Å; V120-H230 VanDerWaalsContact CA-O 3.25Å; V120-H230 WeakPolarHBondContact CA-O 3.48Å; V120-V231 HydrophobicContact CB-CG2 4Å; V120-V231 HydrophobicContact CG2-CG2 3.75Å
121M97.1Very high90Very high16 Ų1630 Ų308%0.07919%0.187CC..EExtended strand (participates in β ladder)trans-133137.8178.5-66-80.415900112.1Q102 D119 Y164 W167 T168 E171 H229 H230Q102-M121 HydrophobicContact CG-SD 4.49Å; Q102-M121 PolarHBondContact NE2-SD 3.07Å; Q102-M121 PolarHBondContact OE1-SD 3.19Å; D119-M121 WeakPolarHBondContact OD2-CE 3.48Å; D119-M121 WeakPolarHBondContact OD2-CG 3.44Å; M121-Y164 HydrophobicContact CB-CD1 3.82Å; M121-Y164 HydrophobicContact CB-CG 4.44Å; M121-Y164 HydrophobicContact CG-CD1 4.28Å; M121-Y164 HydrophobicContact SD-CD1 4.33Å; M121-Y164 HydrophobicContact SD-CE1 4.47Å; M121-W167 VanDerWaalsContact CE-CD1 3.46Å; M121-W167 VanDerWaalsContact CE-NE1 3.34Å; M121-W167 VanDerWaalsContact SD-CD1 3.57Å; M121-T168 VanDerWaalsContact CB-OG1 3.28Å; M121-T168 WeakPolarHBondContact CB-OG1 3.27Å; M121-T168 HydrophobicContact CG-CG2 4.36Å; M121-T168 VanDerWaalsContact CG-OG1 3.24Å; M121-T168 WeakPolarHBondContact CG-OG1 3.22Å; M121-E171 HydrophobicContact CE-CG 4.41Å; M121-H229 CarbonylContact O-C 3.52Å; M121-H229 WeakPolarHBondContact O-CA 3.27Å; M121-H230 PolarHBondContact N-O 2.65Å; M121-H230 PolarHBondContact O-N 2.76Å
122K95.9Very high89.9Confident47 Ų4733.4 Ų33.420%0.20421%0.21CC..EExtended strand (participates in β ladder)trans-94.9125.2172.6-166.1-176.8-177.1158.70110.7D104 T124 D228 H229D104-K122 IonicContact OD2-NZ 2.83Å; D104-K122 PolarHBondContact OD2-NZ 2.86Å; K122-T124 HydrophobicContact CD-CG2 3.83Å; K122-T124 HydrophobicContact CG-CG2 3.91Å; K122-T124 PolarHBondContact O-N 3.42Å; K122-D228 CarbonylContact C-O 3.53Å; K122-D228 VanDerWaalsContact CA-O 3.28Å; K122-D228 WeakPolarHBondContact CA-O 3.39Å; K122-D228 HydrophobicContact CG-CB 4.08Å; K122-H229 WeakPolarHBondContact CD-NE2 3.43Å; K122-H229 WeakPolarHBondContact CG-NE2 3.35Å
123T94.3Very high90.1Very high8 Ų836 Ų365%0.04922%0.222CC..  trans-67.495.2174.3-60.60000110.3L160 A161 Y164 D228 H230T123-L160 HydrophobicContact CG2-CB 4.28Å; T123-L160 HydrophobicContact CG2-CD2 4.2Å; T123-L160 HydrophobicContact CG2-CG 4.08Å; T123-A161 HydrophobicContact CG2-CB 4.14Å; T123-Y164 HydrophobicContact CG2-CD2 4.29Å; T123-D228 PolarHBondContact N-O 2.79Å; T123-H230 PolarHBondContact OG1-CD2 2.91Å; T123-H230 VanDerWaalsContact OG1-CD2 3.31Å; T123-H230 PolarHBondContact OG1-NE2 3.47Å
124T91.4Very high90.4Very high54 Ų5436.6 Ų36.633%0.33122%0.223SC..  trans-144.2143.2176.7550000110.1K122 P126 Y164K122-T124 HydrophobicContact CD-CG2 3.83Å; K122-T124 HydrophobicContact CG-CG2 3.91Å; K122-T124 PolarHBondContact O-N 3.42Å; T124-P126 WeakPolarHBondContact O-CD 3.43Å; T124-Y164 WeakPolarHBondContact O-CE2 3.47Å; T124-Y164 PolarHBondContact O-OH 2.81Å
125L86.6Confident90.6Very high58 Ų5836.2 Ų36.230%0.30422%0.22SC..  trans-70.9116.6175.2-177.367.7000108.9G127 S128 V131 F134 L160L125-G127 PolarHBondContact O-N 2.94Å; L125-S128 WeakPolarHBondContact CD1-OG 3.46Å; L125-V131 HydrophobicContact CD1-CB 4.46Å; L125-V131 HydrophobicContact CD1-CG2 3.73Å; L125-F134 HydrophobicContact CD1-CB 4.28Å; L125-L160 HydrophobicContact CB-CD2 4.3Å
126P76.9Confident90.7Very high47 Ų4741.1 Ų41.131%0.30524%0.236SC..  trans-87.3112.3-174.631.2-28000109.9T124 S128 F134T124-P126 WeakPolarHBondContact O-CD 3.43Å; P126-S128 WeakPolarHBondContact O-CB 3.45Å; P126-S128 PolarHBondContact O-N 3Å; P126-S128 PolarHBondContact O-OG 3.38Å; P126-F134 HydrophobicContact CG-CD1 4.19Å; P126-F134 HydrophobicContact CG-CD2 3.48Å; P126-F134 VanDerWaalsContact CG-CD2 3.48Å; P126-F134 HydrophobicContact CG-CE1 3.96Å; P126-F134 HydrophobicContact CG-CE2 3.23Å; P126-F134 HydrophobicContact CG-CG 3.96Å; P126-F134 HydrophobicContact CG-CZ 3.48Å; P126-F134 VanDerWaalsContact CG-CZ 3.48Å
127G71.4Confident90.6Very high87 Ų8745.7 Ų45.790%0.89726%0.26SS*.SBendtrans54.2-6.2161.600000118.9L125L125-G127 PolarHBondContact O-N 2.94Å
128S72.4Confident90.5Very high17 Ų1747.2 Ų47.212%0.11927%0.267CS..SBendtrans-94.3162.5-172.347.80000110.1L125 P126L125-S128 WeakPolarHBondContact CD1-OG 3.46Å; P126-S128 WeakPolarHBondContact O-CB 3.45Å; P126-S128 PolarHBondContact O-N 3Å; P126-S128 PolarHBondContact O-OG 3.38Å
129N80.3Confident90.3Very high146 Ų14650.5 Ų50.578%0.78129%0.288SS*.SBendtrans-78.3-22.5-179-65.3-28.5000112.3
130S90.5Very high90.1Very high44 Ų4460.1 Ų60.131%0.30832%0.324SS..  trans-162161.2-179.566.50000112.7E133 F134S130-E133 PolarHBondContact O-N 3.24Å; S130-F134 PolarHBondContact O-N 3.1Å
131V92.6Very high89.9Confident7 Ų763.1 Ų63.14%0.04234%0.338CS..Hα-helixtrans-59.4-45175.6167.80000112.8L125 E133 F134 F135 E156L125-V131 HydrophobicContact CD1-CB 4.46Å; L125-V131 HydrophobicContact CD1-CG2 3.73Å; V131-E133 VanDerWaalsContact C-N 3.32Å; V131-E133 PolarHBondContact O-N 3.48Å; V131-F134 WeakPolarHBondContact O-CB 3.45Å; V131-F134 PolarHBondContact O-N 3.21Å; V131-F135 HydrophobicContact CG1-CD1 4.31Å; V131-F135 HydrophobicContact CG1-CD2 3.85Å; V131-F135 HydrophobicContact CG1-CE1 3.91Å; V131-F135 HydrophobicContact CG1-CE2 3.39Å; V131-F135 HydrophobicContact CG1-CG 4.3Å; V131-F135 HydrophobicContact CG1-CZ 3.44Å; V131-F135 VanDerWaalsContact CG1-CZ 3.44Å; V131-F135 WeakPolarHBondContact O-CG 3.21Å; V131-F135 PolarHBondContact O-N 2.94Å; V131-E156 HydrophobicContact CB-CB 4.25Å; V131-E156 HydrophobicContact CB-CG 4.28Å; V131-E156 HydrophobicContact CG1-CB 4.48Å; V131-E156 HydrophobicContact CG2-CB 4.01Å
132P92.5Very high89.9Confident73 Ų7362.4 Ų62.447%0.47433%0.334SS..Hα-helixtrans-59.1-39.6178.4-27.736.2000113.8F135 R136P132-F135 PolarHBondContact O-N 3.46Å; P132-R136 PolarHBondContact O-N 3.4Å
133E92.9Very high90Very high73 Ų7361 Ų6134%0.34133%0.33SS..Hα-helixtrans-68.6-39.4179-179.261.7-175.200111.4S130 V131 R136 I137S130-E133 PolarHBondContact O-N 3.24Å; V131-E133 VanDerWaalsContact C-N 3.32Å; V131-E133 PolarHBondContact O-N 3.48Å; E133-R136 WeakPolarHBondContact O-CB 3.34Å; E133-R136 PolarHBondContact O-N 2.88Å; E133-R136 IonicContact OE1-CZ 2.84Å; E133-R136 IonicContact OE1-NE 3.41Å; E133-R136 IonicContact OE1-NH2 3.77Å; E133-R136 PolarHBondContact OE1-NH2 2.84Å; E133-R136 IonicContact OE2-CZ 3.23Å; E133-R136 IonicContact OE2-NE 3.48Å; E133-R136 PolarHBondContact OE2-NE 2.74Å; E133-R136 IonicContact OE2-NH2 2.76Å; E133-I137 WeakPolarHBondContact O-CG1 3.15Å; E133-I137 PolarHBondContact O-N 2.91Å
134F94.4Very high90.2Very high16 Ų1664.8 Ų64.87%0.0736%0.361CS..Hα-helixtrans-59.9-46.8172.1175.2-123.9000111.9L125 P126 S130 V131 R136 I137 M138 L160 F163L125-F134 HydrophobicContact CD1-CB 4.28Å; P126-F134 HydrophobicContact CG-CD1 4.19Å; P126-F134 HydrophobicContact CG-CD2 3.48Å; P126-F134 VanDerWaalsContact CG-CD2 3.48Å; P126-F134 HydrophobicContact CG-CE1 3.96Å; P126-F134 HydrophobicContact CG-CE2 3.23Å; P126-F134 HydrophobicContact CG-CG 3.96Å; P126-F134 HydrophobicContact CG-CZ 3.48Å; P126-F134 VanDerWaalsContact CG-CZ 3.48Å; S130-F134 PolarHBondContact O-N 3.1Å; V131-F134 WeakPolarHBondContact O-CB 3.45Å; V131-F134 PolarHBondContact O-N 3.21Å; F134-R136 VanDerWaalsContact C-N 3.31Å; F134-R136 PolarHBondContact O-N 3.29Å; F134-I137 PolarHBondContact O-N 2.88Å; F134-I137 VanDerWaalsContact O-N 3.15Å; F134-M138 HydrophobicContact CD2-CG 3.96Å; F134-M138 HydrophobicContact CE1-CG 4.46Å; F134-M138 HydrophobicContact CE2-CE 4.41Å; F134-M138 HydrophobicContact CE2-CG 3.45Å; F134-M138 VanDerWaalsContact CE2-CG 3.45Å; F134-M138 HydrophobicContact CE2-SD 4.08Å; F134-M138 HydrophobicContact CZ-CE 4.38Å; F134-M138 HydrophobicContact CZ-CG 3.75Å; F134-M138 WeakPolarHBondContact O-CG 3.38Å; F134-M138 PolarHBondContact O-N 3.48Å; F134-M138 VanDerWaalsContact O-N 3.09Å; F134-L160 HydrophobicContact CD1-CD1 3.92Å; F134-L160 HydrophobicContact CE1-CD1 3.82Å; F134-F163 AromaticContact CE1-CD1 3.82Å; F134-F163 HydrophobicContact CE1-CD1 3.82Å; F134-F163 HydrophobicContact CE1-CD2 4.42Å; F134-F163 AromaticContact CE1-CE1 3.49Å; F134-F163 HydrophobicContact CE1-CE1 3.49Å; F134-F163 VanDerWaalsContact CE1-CE1 3.49Å; F134-F163 HydrophobicContact CE1-CE2 4.06Å; F134-F163 HydrophobicContact CE1-CG 4.31Å; F134-F163 AromaticContact CE1-CZ 3.62Å; F134-F163 HydrophobicContact CE1-CZ 3.62Å; F134-F163 HydrophobicContact CE2-CZ 4.49Å; F134-F163 HydrophobicContact CZ-CD1 4.28Å; F134-F163 AromaticContact CZ-CE1 3.48Å; F134-F163 HydrophobicContact CZ-CE1 3.48Å; F134-F163 VanDerWaalsContact CZ-CE1 3.48Å; F134-F163 HydrophobicContact CZ-CE2 4.25Å; F134-F163 AromaticContact CZ-CZ 3.47Å; F134-F163 HydrophobicContact CZ-CZ 3.47Å; F134-F163 VanDerWaalsContact CZ-CZ 3.47Å
135F95.3Very high90.5Very high11 Ų1165.8 Ų65.85%0.04836%0.362CS..Hα-helixtrans-63.9-35.5178.4-69.8-7.7000113.1V131 P132 I137 M138 T139 W147 I150 Q159 L160 F163V131-F135 HydrophobicContact CG1-CD1 4.31Å; V131-F135 HydrophobicContact CG1-CD2 3.85Å; V131-F135 HydrophobicContact CG1-CE1 3.91Å; V131-F135 HydrophobicContact CG1-CE2 3.39Å; V131-F135 HydrophobicContact CG1-CG 4.3Å; V131-F135 HydrophobicContact CG1-CZ 3.44Å; V131-F135 VanDerWaalsContact CG1-CZ 3.44Å; V131-F135 WeakPolarHBondContact O-CG 3.21Å; V131-F135 PolarHBondContact O-N 2.94Å; P132-F135 PolarHBondContact O-N 3.46Å; F135-I137 VanDerWaalsContact C-N 3.29Å; F135-I137 PolarHBondContact O-N 2.92Å; F135-M138 CarbonylContact O-C 3.55Å; F135-M138 PolarHBondContact O-N 3.01Å; F135-T139 PolarHBondContact O-N 3.05Å; F135-T139 PolarHBondContact O-OG1 2.81Å; F135-W147 HydrophobicContact CB-CH2 3.75Å; F135-W147 HydrophobicContact CB-CZ3 3.77Å; F135-W147 AromaticContact CD1-CH2 3.98Å; F135-W147 HydrophobicContact CD1-CH2 3.98Å; F135-W147 AromaticContact CD1-CZ3 3.95Å; F135-W147 HydrophobicContact CD1-CZ3 3.95Å; F135-W147 AromaticContact CD2-CZ3 3.89Å; F135-W147 HydrophobicContact CD2-CZ3 3.89Å; F135-W147 HydrophobicContact CE1-CZ3 4.48Å; F135-W147 HydrophobicContact CE2-CZ3 4.43Å; F135-W147 AromaticContact CG-CH2 3.88Å; F135-W147 HydrophobicContact CG-CH2 3.88Å; F135-W147 AromaticContact CG-CZ3 3.61Å; F135-W147 HydrophobicContact CG-CZ3 3.61Å; F135-I150 HydrophobicContact CE2-CG2 3.96Å; F135-I150 HydrophobicContact CZ-CG2 3.9Å; F135-Q159 HydrophobicContact CE2-CB 3.87Å; F135-Q159 HydrophobicContact CZ-CB 3.94Å; F135-L160 HydrophobicContact CE1-CD1 4.16Å; F135-F163 AromaticContact CD1-CD2 3.91Å; F135-F163 HydrophobicContact CD1-CD2 3.91Å; F135-F163 HydrophobicContact CD1-CE2 4.34Å; F135-F163 HydrophobicContact CD1-CG 4.45Å; F135-F163 HydrophobicContact CE1-CB 3.77Å; F135-F163 AromaticContact CE1-CD2 3.69Å; F135-F163 HydrophobicContact CE1-CD2 3.69Å; F135-F163 HydrophobicContact CE1-CE2 4.48Å; F135-F163 AromaticContact CE1-CG 3.81Å; F135-F163 HydrophobicContact CE1-CG 3.81Å; F135-F163 HydrophobicContact CZ-CB 4.09Å
136R93.4Very high91Very high153 Ų15363 Ų6358%0.57735%0.348SS*.Hα-helixtrans-59.8-39.4173.5-169.1-173.467.573.7-0.6112.2P132 E133 F134 T139P132-R136 PolarHBondContact O-N 3.4Å; E133-R136 WeakPolarHBondContact O-CB 3.34Å; E133-R136 PolarHBondContact O-N 2.88Å; E133-R136 IonicContact OE1-CZ 2.84Å; E133-R136 IonicContact OE1-NE 3.41Å; E133-R136 IonicContact OE1-NH2 3.77Å; E133-R136 PolarHBondContact OE1-NH2 2.84Å; E133-R136 IonicContact OE2-CZ 3.23Å; E133-R136 IonicContact OE2-NE 3.48Å; E133-R136 PolarHBondContact OE2-NE 2.74Å; E133-R136 IonicContact OE2-NH2 2.76Å; F134-R136 VanDerWaalsContact C-N 3.31Å; F134-R136 PolarHBondContact O-N 3.29Å; R136-T139 WeakPolarHBondContact CA-OG1 3.43Å; R136-T139 PolarHBondContact O-OG1 3.49Å; R136-T139 VanDerWaalsContact O-OG1 3.05Å
137I92.9Very high92Very high101 Ų10161.8 Ų61.852%0.51834%0.337SS..Hα-helixtrans-69.7-38.5176.9-64.4164.7000110.6E133 F134 F135 T139E133-I137 WeakPolarHBondContact O-CG1 3.15Å; E133-I137 PolarHBondContact O-N 2.91Å; F134-I137 PolarHBondContact O-N 2.88Å; F134-I137 VanDerWaalsContact O-N 3.15Å; F135-I137 VanDerWaalsContact C-N 3.29Å; F135-I137 PolarHBondContact O-N 2.92Å; I137-T139 VanDerWaalsContact C-N 3.33Å; I137-T139 PolarHBondContact O-N 2.83Å
138M94.4Very high93.2Very high32 Ų3261.4 Ų61.416%0.15832%0.32CS..Hα-helixtrans-87.11.9-176.2-59.8-60.9-89.300113.9F134 F135 R140 Q141 W147 F163 W167F134-M138 HydrophobicContact CD2-CG 3.96Å; F134-M138 HydrophobicContact CE1-CG 4.46Å; F134-M138 HydrophobicContact CE2-CE 4.41Å; F134-M138 HydrophobicContact CE2-CG 3.45Å; F134-M138 VanDerWaalsContact CE2-CG 3.45Å; F134-M138 HydrophobicContact CE2-SD 4.08Å; F134-M138 HydrophobicContact CZ-CE 4.38Å; F134-M138 HydrophobicContact CZ-CG 3.75Å; F134-M138 WeakPolarHBondContact O-CG 3.38Å; F134-M138 PolarHBondContact O-N 3.48Å; F134-M138 VanDerWaalsContact O-N 3.09Å; F135-M138 CarbonylContact O-C 3.55Å; F135-M138 PolarHBondContact O-N 3.01Å; M138-R140 PolarHBondContact O-N 3.38Å; M138-Q141 HydrophobicContact CE-CG 4.41Å; M138-Q141 VanDerWaalsContact O-CB 3.3Å; M138-Q141 WeakPolarHBondContact O-CB 3.33Å; M138-Q141 WeakPolarHBondContact O-CG 3.28Å; M138-Q141 PolarHBondContact O-N 3.06Å; M138-Q141 HydrophobicContact SD-CG 4.46Å; M138-W147 HydrophobicContact CB-CH2 4.43Å; M138-W147 HydrophobicContact CB-CZ2 4.39Å; M138-F163 HydrophobicContact CB-CE2 3.63Å; M138-F163 HydrophobicContact CB-CZ 3.94Å; M138-F163 HydrophobicContact CE-CZ 3.71Å; M138-F163 HydrophobicContact CG-CE2 3.96Å; M138-F163 HydrophobicContact CG-CZ 3.77Å; M138-W167 HydrophobicContact CE-CE3 3.79Å; M138-W167 HydrophobicContact CE-CH2 3.61Å; M138-W167 HydrophobicContact CE-CZ2 4.32Å; M138-W167 HydrophobicContact CE-CZ3 3.29Å
139T93.8Very high94.3Very high69 Ų6962.6 Ų62.642%0.42333%0.327SS..G310 helixtrans-53.6-37.4-171-58.30000113.3F135 R136 I137 Q141 W147F135-T139 PolarHBondContact O-N 3.05Å; F135-T139 PolarHBondContact O-OG1 2.81Å; R136-T139 WeakPolarHBondContact CA-OG1 3.43Å; R136-T139 PolarHBondContact O-OG1 3.49Å; R136-T139 VanDerWaalsContact O-OG1 3.05Å; I137-T139 VanDerWaalsContact C-N 3.33Å; I137-T139 PolarHBondContact O-N 2.83Å; T139-Q141 PolarHBondContact O-N 3.2Å; T139-W147 PolarHBondContact O-NE1 3.21Å
140R94.2Very high95.1Very high204 Ų20455.7 Ų55.777%0.7729%0.29SS*.G310 helixtrans-73.2-5.2-178.8-63.4-174.6179.6-170.2-0.9114.7M138 Q186M138-R140 PolarHBondContact O-N 3.38Å; R140-Q186 WeakPolarHBondContact O-CG 3.22Å; R140-Q186 PolarHBondContact O-NE2 3.36Å
141Q95.1Very high95.4Very high62 Ų6258.9 Ų58.929%0.2930%0.3SS..G310 helixtrans-93.5-13.1-174.7-49.6-52.5-21.800113.1M138 T139 W167 K170 L185M138-Q141 HydrophobicContact CE-CG 4.41Å; M138-Q141 VanDerWaalsContact O-CB 3.3Å; M138-Q141 WeakPolarHBondContact O-CB 3.33Å; M138-Q141 WeakPolarHBondContact O-CG 3.28Å; M138-Q141 PolarHBondContact O-N 3.06Å; M138-Q141 HydrophobicContact SD-CG 4.46Å; T139-Q141 PolarHBondContact O-N 3.2Å; Q141-W167 HydrophobicContact CB-CE3 4.48Å; Q141-W167 HydrophobicContact CB-CZ3 3.73Å; Q141-W167 HydrophobicContact CG-CH2 4.43Å; Q141-W167 HydrophobicContact CG-CZ3 3.83Å; Q141-K170 VanDerWaalsContact O-CE 3.25Å; Q141-K170 WeakPolarHBondContact O-CE 3.38Å; Q141-L185 HydrophobicContact CB-CD1 3.92Å; Q141-L185 HydrophobicContact CG-CD1 4.37Å; Q141-L185 VanDerWaalsContact O-CB 3.3Å; Q141-L185 WeakPolarHBondContact O-CB 3.37Å
142F97.1Very high95.5Very high2 Ų263 Ų631%0.00933%0.329CS..SBendtrans-130158.9-178.6-58.7-83.4000111E146 W147 I150 F163 H166 W167 K170F142-E146 VanDerWaalsContact CA-OE2 3.28Å; F142-E146 WeakPolarHBondContact CA-OE2 3.37Å; F142-E146 HydrophobicContact CB-CB 3.96Å; F142-E146 WeakPolarHBondContact CB-OE2 3.36Å; F142-E146 HydrophobicContact CD1-CB 4.25Å; F142-W147 HydrophobicContact CB-CD2 4.39Å; F142-W147 HydrophobicContact CB-CG 4.36Å; F142-W147 HydrophobicContact CB-CZ2 4.4Å; F142-W147 AromaticContact CD2-CE2 3.98Å; F142-W147 HydrophobicContact CD2-CH2 4.15Å; F142-W147 AromaticContact CD2-CZ2 3.6Å; F142-W147 HydrophobicContact CD2-CZ2 3.6Å; F142-W147 HydrophobicContact CE2-CZ2 4.4Å; F142-W147 HydrophobicContact CG-CZ2 4.4Å; F142-I150 HydrophobicContact CD1-CD1 4.27Å; F142-I150 HydrophobicContact CG-CD1 4.25Å; F142-F163 HydrophobicContact CD2-CD2 4.46Å; F142-F163 HydrophobicContact CD2-CE2 4.13Å; F142-F163 AromaticContact CE2-CD2 3.71Å; F142-F163 HydrophobicContact CE2-CD2 3.71Å; F142-F163 AromaticContact CE2-CE2 3.25Å; F142-F163 HydrophobicContact CE2-CE2 3.25Å; F142-F163 AromaticContact CE2-CZ 3.8Å; F142-F163 HydrophobicContact CE2-CZ 3.8Å; F142-F163 HydrophobicContact CZ-CD2 4.13Å; F142-F163 AromaticContact CZ-CE2 3.92Å; F142-F163 HydrophobicContact CZ-CE2 3.92Å; F142-F163 HydrophobicContact CZ-CZ 4.21Å; F142-H166 HydrophobicContact CD1-CB 3.96Å; F142-H166 HydrophobicContact CE1-CB 3.46Å; F142-H166 VanDerWaalsContact CE1-CB 3.46Å; F142-H166 HydrophobicContact CZ-CB 4.35Å; F142-W167 AromaticContact CE2-CE3 3.98Å; F142-W167 HydrophobicContact CE2-CE3 3.98Å; F142-W167 HydrophobicContact CZ-CB 4.04Å; F142-W167 AromaticContact CZ-CE3 3.68Å; F142-W167 HydrophobicContact CZ-CE3 3.68Å; F142-K170 HydrophobicContact CD1-CD 4.12Å; F142-K170 HydrophobicContact CE1-CD 3.97Å
143T98Very high95.5Very high18 Ų1860.7 Ų60.711%0.1132%0.317CS..  trans-81.3172.7174.2730000111.5H145 E146 W147 Q186 E189T143-H145 VanDerWaalsContact C-N 3.3Å; T143-H145 PolarHBondContact O-N 3.47Å; T143-H145 PolarHBondContact OG1-N 3.47Å; T143-E146 PolarHBondContact N-OE2 3.39Å; T143-E146 PolarHBondContact O-N 2.87Å; T143-E146 WeakPolarHBondContact OG1-CG 3.35Å; T143-E146 PolarHBondContact OG1-N 3.33Å; T143-W147 PolarHBondContact O-N 2.96Å; T143-Q186 WeakPolarHBondContact CG2-O 3.33Å; T143-E189 WeakPolarHBondContact CB-OE2 3.31Å; T143-E189 HydrophobicContact CG2-CB 3.95Å; T143-E189 HydrophobicContact CG2-CG 4.2Å; T143-E189 WeakPolarHBondContact CG2-OE2 3.37Å; T143-E189 PolarHBondContact OG1-OE2 3.34Å
144A97.3Very high95.4Very high86 Ų8662 Ų6271%0.71134%0.34SS*.Hα-helixtrans-63.4-36.4175.400000112.3W147 S148A144-W147 PolarHBondContact O-N 3.35Å; A144-S148 WeakPolarHBondContact O-CB 3.24Å; A144-S148 PolarHBondContact O-N 3.21Å
145H97.7Very high95.4Very high75 Ų7563.6 Ų63.635%0.34735%0.353SS..Hα-helixtrans-64.1-47.5177.3179.474.1000111.7T143 S148 T149 E189 H191T143-H145 VanDerWaalsContact C-N 3.3Å; T143-H145 PolarHBondContact O-N 3.47Å; T143-H145 PolarHBondContact OG1-N 3.47Å; H145-S148 WeakPolarHBondContact O-CB 3.28Å; H145-S148 PolarHBondContact O-N 2.95Å; H145-T149 PolarHBondContact O-N 2.94Å; H145-T149 PolarHBondContact O-OG1 3.3Å; H145-E189 VanDerWaalsContact CB-CD 3.47Å; H145-E189 HydrophobicContact CB-CG 4.28Å; H145-E189 WeakPolarHBondContact CB-OE1 3.3Å; H145-E189 WeakPolarHBondContact CB-OE2 3.4Å; H145-E189 IonicContact CD2-OE1 3.73Å; H145-E189 IonicContact CG-OE1 2.77Å; H145-H191 AromaticContact CD2-CE1 3.55Å; H145-H191 AromaticContact CD2-ND1 3.38Å; H145-H191 PolarHBondContact CD2-ND1 3.11Å; H145-H191 AromaticContact CE1-ND1 3.59Å; H145-H191 AromaticContact NE2-CE1 3.54Å; H145-H191 AromaticContact NE2-CG 3.96Å; H145-H191 AromaticContact NE2-ND1 2.93Å; H145-H191 PolarHBondContact NE2-ND1 3.32Å
146E98.1Very high95.4Very high0 Ų067.8 Ų67.80%037%0.373CS..Hα-helixtrans-63.3-43.9178-66.7175.9133.200110.8F142 T143 S148 T149 I150 H166 K170 E189 F190F142-E146 VanDerWaalsContact CA-OE2 3.28Å; F142-E146 WeakPolarHBondContact CA-OE2 3.37Å; F142-E146 HydrophobicContact CB-CB 3.96Å; F142-E146 WeakPolarHBondContact CB-OE2 3.36Å; F142-E146 HydrophobicContact CD1-CB 4.25Å; T143-E146 PolarHBondContact N-OE2 3.39Å; T143-E146 PolarHBondContact O-N 2.87Å; T143-E146 WeakPolarHBondContact OG1-CG 3.35Å; T143-E146 PolarHBondContact OG1-N 3.33Å; E146-S148 PolarHBondContact O-N 2.96Å; E146-T149 WeakPolarHBondContact O-CB 3.16Å; E146-T149 PolarHBondContact O-N 2.77Å; E146-T149 VanDerWaalsContact O-N 3.15Å; E146-I150 WeakPolarHBondContact O-CB 3.39Å; E146-I150 VanDerWaalsContact O-CG1 3.23Å; E146-I150 WeakPolarHBondContact O-CG1 3.33Å; E146-I150 PolarHBondContact O-N 2.75Å; E146-H166 IonicContact OE1-ND1 3.29Å; E146-K170 VanDerWaalsContact CD-CE 3.49Å; E146-K170 VanDerWaalsContact CD-NZ 3.26Å; E146-K170 WeakPolarHBondContact OE1-CE 3.29Å; E146-K170 IonicContact OE1-NZ 3.61Å; E146-K170 PolarHBondContact OE1-NZ 3.46Å; E146-K170 WeakPolarHBondContact OE2-CE 3.48Å; E146-K170 IonicContact OE2-NZ 2.65Å; E146-K170 PolarHBondContact OE2-NZ 2.83Å; E146-E189 HydrophobicContact CG-CG 4.26Å; E146-F190 PolarHBondContact OE1-N 3.43Å
147W97.8Very high95.3Very high21 Ų2165.7 Ų65.78%0.0837%0.369CS..Hα-helixtrans-61.6-41.3175.3-83.4121.8000113F135 M138 T139 F142 T143 A144 T149 I150 Q151 F163F135-W147 HydrophobicContact CB-CH2 3.75Å; F135-W147 HydrophobicContact CB-CZ3 3.77Å; F135-W147 AromaticContact CD1-CH2 3.98Å; F135-W147 HydrophobicContact CD1-CH2 3.98Å; F135-W147 AromaticContact CD1-CZ3 3.95Å; F135-W147 HydrophobicContact CD1-CZ3 3.95Å; F135-W147 AromaticContact CD2-CZ3 3.89Å; F135-W147 HydrophobicContact CD2-CZ3 3.89Å; F135-W147 HydrophobicContact CE1-CZ3 4.48Å; F135-W147 HydrophobicContact CE2-CZ3 4.43Å; F135-W147 AromaticContact CG-CH2 3.88Å; F135-W147 HydrophobicContact CG-CH2 3.88Å; F135-W147 AromaticContact CG-CZ3 3.61Å; F135-W147 HydrophobicContact CG-CZ3 3.61Å; M138-W147 HydrophobicContact CB-CH2 4.43Å; M138-W147 HydrophobicContact CB-CZ2 4.39Å; T139-W147 PolarHBondContact O-NE1 3.21Å; F142-W147 HydrophobicContact CB-CD2 4.39Å; F142-W147 HydrophobicContact CB-CG 4.36Å; F142-W147 HydrophobicContact CB-CZ2 4.4Å; F142-W147 AromaticContact CD2-CE2 3.98Å; F142-W147 HydrophobicContact CD2-CH2 4.15Å; F142-W147 AromaticContact CD2-CZ2 3.6Å; F142-W147 HydrophobicContact CD2-CZ2 3.6Å; F142-W147 HydrophobicContact CE2-CZ2 4.4Å; F142-W147 HydrophobicContact CG-CZ2 4.4Å; T143-W147 PolarHBondContact O-N 2.96Å; A144-W147 PolarHBondContact O-N 3.35Å; W147-T149 VanDerWaalsContact C-N 3.26Å; W147-T149 PolarHBondContact O-N 3.29Å; W147-I150 HydrophobicContact CE3-CB 4.18Å; W147-I150 HydrophobicContact CE3-CD1 4.07Å; W147-I150 HydrophobicContact CE3-CG2 4.05Å; W147-I150 HydrophobicContact CZ3-CB 4.49Å; W147-I150 HydrophobicContact CZ3-CD1 4.21Å; W147-I150 HydrophobicContact CZ3-CG2 3.91Å; W147-I150 PolarHBondContact O-N 2.72Å; W147-Q151 HydrophobicContact CE3-CG 4.39Å; W147-Q151 VanDerWaalsContact O-CB 3.31Å; W147-Q151 WeakPolarHBondContact O-CB 3.25Å; W147-Q151 VanDerWaalsContact O-CG 3.29Å; W147-Q151 WeakPolarHBondContact O-CG 3.37Å; W147-Q151 PolarHBondContact O-N 2.87Å; W147-F163 AromaticContact CH2-CD2 3.87Å; W147-F163 HydrophobicContact CH2-CD2 3.87Å; W147-F163 AromaticContact CH2-CE2 3.96Å; W147-F163 HydrophobicContact CH2-CE2 3.96Å; W147-F163 HydrophobicContact CZ3-CD2 4.24Å
148S97.2Very high95.3Very high79 Ų7965.5 Ų65.555%0.55237%0.366SS*.Hα-helixtrans-58.1-42.6174.2-177.10000111A144 H145 E146 S152A144-S148 WeakPolarHBondContact O-CB 3.24Å; A144-S148 PolarHBondContact O-N 3.21Å; H145-S148 WeakPolarHBondContact O-CB 3.28Å; H145-S148 PolarHBondContact O-N 2.95Å; E146-S148 PolarHBondContact O-N 2.96Å; S148-S152 VanDerWaalsContact O-CB 3.29Å; S148-S152 WeakPolarHBondContact O-CB 3.3Å; S148-S152 PolarHBondContact O-N 3.19Å; S148-S152 VanDerWaalsContact O-N 3.08Å
149T95.9Very high95.4Very high43 Ų4365.9 Ų65.926%0.26437%0.368SS..Hα-helixtrans-65.8-49.6177.3-59.20000111.2H145 E146 W147 Q151 S152 L192H145-T149 PolarHBondContact O-N 2.94Å; H145-T149 PolarHBondContact O-OG1 3.3Å; E146-T149 WeakPolarHBondContact O-CB 3.16Å; E146-T149 PolarHBondContact O-N 2.77Å; E146-T149 VanDerWaalsContact O-N 3.15Å; W147-T149 VanDerWaalsContact C-N 3.26Å; W147-T149 PolarHBondContact O-N 3.29Å; T149-Q151 VanDerWaalsContact C-N 3.33Å; T149-Q151 PolarHBondContact O-N 3.4Å; T149-S152 PolarHBondContact O-N 2.84Å; T149-S152 PolarHBondContact O-OG 3.07Å; T149-L192 HydrophobicContact CG2-CD1 4.25Å
150I96.3Very high95.4Very high0 Ų063 Ų630%035%0.349CS..Hα-helixtrans-57.7-46.1-179.9-69.9163.7000111F135 F142 E146 W147 Q159 A162 F163 H166F135-I150 HydrophobicContact CE2-CG2 3.96Å; F135-I150 HydrophobicContact CZ-CG2 3.9Å; F142-I150 HydrophobicContact CD1-CD1 4.27Å; F142-I150 HydrophobicContact CG-CD1 4.25Å; E146-I150 WeakPolarHBondContact O-CB 3.39Å; E146-I150 VanDerWaalsContact O-CG1 3.23Å; E146-I150 WeakPolarHBondContact O-CG1 3.33Å; E146-I150 PolarHBondContact O-N 2.75Å; W147-I150 HydrophobicContact CE3-CB 4.18Å; W147-I150 HydrophobicContact CE3-CD1 4.07Å; W147-I150 HydrophobicContact CE3-CG2 4.05Å; W147-I150 HydrophobicContact CZ3-CB 4.49Å; W147-I150 HydrophobicContact CZ3-CD1 4.21Å; W147-I150 HydrophobicContact CZ3-CG2 3.91Å; W147-I150 PolarHBondContact O-N 2.72Å; I150-Q159 WeakPolarHBondContact O-CG 3.43Å; I150-A162 HydrophobicContact CG1-CB 4.35Å; I150-F163 HydrophobicContact CD1-CB 4.48Å; I150-F163 HydrophobicContact CG2-CB 4.08Å; I150-H166 HydrophobicContact CD1-CB 4.47Å
151Q96.1Very high95.4Very high111 Ų11154.2 Ų54.252%0.51932%0.321SS..Hα-helixtrans-79.1-18.4-175.8-67.6177.8-24.100113.5W147 T149 A153 Q159W147-Q151 HydrophobicContact CE3-CG 4.39Å; W147-Q151 VanDerWaalsContact O-CB 3.31Å; W147-Q151 WeakPolarHBondContact O-CB 3.25Å; W147-Q151 VanDerWaalsContact O-CG 3.29Å; W147-Q151 WeakPolarHBondContact O-CG 3.37Å; W147-Q151 PolarHBondContact O-N 2.87Å; T149-Q151 VanDerWaalsContact C-N 3.33Å; T149-Q151 PolarHBondContact O-N 3.4Å; Q151-A153 PolarHBondContact O-N 2.96Å; Q151-Q159 PolarHBondContact O-NE2 3.39Å
152S94.9Very high95.5Very high94 Ų9452.1 Ų52.166%0.65731%0.314SS*.THydrogen-bonded Turntrans-69.2-15.1177.473.60000114.1S148 T149S148-S152 VanDerWaalsContact O-CB 3.29Å; S148-S152 WeakPolarHBondContact O-CB 3.3Å; S148-S152 PolarHBondContact O-N 3.19Å; S148-S152 VanDerWaalsContact O-N 3.08Å; T149-S152 PolarHBondContact O-N 2.84Å; T149-S152 PolarHBondContact O-OG 3.07Å
153A92.3Very high95.4Very high25 Ų2552.1 Ų52.121%0.20731%0.314CS..SBendtrans-67.6145.9-178.900000112.5Q151 S155 Q158 Q159Q151-A153 PolarHBondContact O-N 2.96Å; A153-S155 VanDerWaalsContact C-N 3.31Å; A153-S155 PolarHBondContact O-N 3.09Å; A153-Q158 HydrophobicContact CB-CB 3.83Å; A153-Q159 HydrophobicContact CB-CB 4.49Å; A153-Q159 HydrophobicContact CB-CG 3.83Å; A153-Q159 PolarHBondContact O-NE2 2.87Å
154A92.3Very high95.4Very high100 Ų10052 Ų5283%0.82631%0.312SS*.SBendtrans-73.6-14.8-166.100000115.3
155S94.4Very high95.3Very high49 Ų4949.4 Ų49.434%0.34328%0.284SS..SBendtrans-143.5154.3179.761.90000111.5A153 H157 Q158 Q159A153-S155 VanDerWaalsContact C-N 3.31Å; A153-S155 PolarHBondContact O-N 3.09Å; S155-H157 PolarHBondContact O-N 2.81Å; S155-Q158 PolarHBondContact O-N 2.98Å; S155-Q158 WeakPolarHBondContact OG-CB 3.34Å; S155-Q158 VanDerWaalsContact OG-CD 3.3Å; S155-Q158 VanDerWaalsContact OG-CG 3.24Å; S155-Q158 WeakPolarHBondContact OG-CG 3.3Å; S155-Q158 PolarHBondContact OG-N 3.36Å; S155-Q158 PolarHBondContact OG-OE1 2.87Å; S155-Q159 WeakPolarHBondContact O-CG 3.42Å; S155-Q159 PolarHBondContact O-N 3.06Å
156E93.7Very high95.3Very high100 Ų10045.9 Ų45.947%0.46727%0.267SS..Hα-helixtrans-55.3-36.4177.7-72.6-164.5163.900113V131 Q159 L160V131-E156 HydrophobicContact CB-CB 4.25Å; V131-E156 HydrophobicContact CB-CG 4.28Å; V131-E156 HydrophobicContact CG1-CB 4.48Å; V131-E156 HydrophobicContact CG2-CB 4.01Å; E156-Q159 PolarHBondContact O-N 3.44Å; E156-L160 WeakPolarHBondContact O-CB 3.28Å; E156-L160 PolarHBondContact O-N 2.81Å
157H91.8Very high95.3Very high109 Ų10947.9 Ų47.951%0.50528%0.275SS..Hα-helixtrans-65.9-43175.7178.977.2000111.8S155 L160 A161S155-H157 PolarHBondContact O-N 2.81Å; H157-L160 PolarHBondContact O-N 2.75Å; H157-A161 PolarHBondContact O-N 2.7Å
158Q93.4Very high95.3Very high97 Ų9746.9 Ų46.945%0.45327%0.271SS..Hα-helixtrans-68.9-35.4175.9-70168.3-34.500112.2A153 S155 L160 A161 A162A153-Q158 HydrophobicContact CB-CB 3.83Å; S155-Q158 PolarHBondContact O-N 2.98Å; S155-Q158 WeakPolarHBondContact OG-CB 3.34Å; S155-Q158 VanDerWaalsContact OG-CD 3.3Å; S155-Q158 VanDerWaalsContact OG-CG 3.24Å; S155-Q158 WeakPolarHBondContact OG-CG 3.3Å; S155-Q158 PolarHBondContact OG-N 3.36Å; S155-Q158 PolarHBondContact OG-OE1 2.87Å; Q158-L160 VanDerWaalsContact C-N 3.31Å; Q158-A161 PolarHBondContact O-N 3.47Å; Q158-A162 WeakPolarHBondContact O-CB 3.3Å; Q158-A162 PolarHBondContact O-N 3.27Å
159Q95.4Very high95.4Very high40 Ų4043.1 Ų43.119%0.18725%0.245CC..Hα-helixtrans-61.8-43.4171.7-65.8177.8-2.800110.4F135 I150 Q151 A153 S155 E156 A162 F163F135-Q159 HydrophobicContact CE2-CB 3.87Å; F135-Q159 HydrophobicContact CZ-CB 3.94Å; I150-Q159 WeakPolarHBondContact O-CG 3.43Å; Q151-Q159 PolarHBondContact O-NE2 3.39Å; A153-Q159 HydrophobicContact CB-CB 4.49Å; A153-Q159 HydrophobicContact CB-CG 3.83Å; A153-Q159 PolarHBondContact O-NE2 2.87Å; S155-Q159 WeakPolarHBondContact O-CG 3.42Å; S155-Q159 PolarHBondContact O-N 3.06Å; E156-Q159 PolarHBondContact O-N 3.44Å; Q159-A162 PolarHBondContact O-N 2.93Å; Q159-F163 WeakPolarHBondContact O-CB 3.1Å; Q159-F163 PolarHBondContact O-N 2.8Å
160L95.3Very high95.5Very high7 Ų741.2 Ų41.24%0.03723%0.233CC..Hα-helixtrans-65.4-39.8177.2-167.663.6000111.8T123 L125 F134 F135 E156 H157 Q158 F163 Y164T123-L160 HydrophobicContact CG2-CB 4.28Å; T123-L160 HydrophobicContact CG2-CD2 4.2Å; T123-L160 HydrophobicContact CG2-CG 4.08Å; L125-L160 HydrophobicContact CB-CD2 4.3Å; F134-L160 HydrophobicContact CD1-CD1 3.92Å; F134-L160 HydrophobicContact CE1-CD1 3.82Å; F135-L160 HydrophobicContact CE1-CD1 4.16Å; E156-L160 WeakPolarHBondContact O-CB 3.28Å; E156-L160 PolarHBondContact O-N 2.81Å; H157-L160 PolarHBondContact O-N 2.75Å; Q158-L160 VanDerWaalsContact C-N 3.31Å; L160-F163 WeakPolarHBondContact O-CB 3.14Å; L160-F163 PolarHBondContact O-N 2.91Å; L160-Y164 HydrophobicContact CD1-CD2 4.04Å; L160-Y164 HydrophobicContact CD1-CE2 3.61Å; L160-Y164 HydrophobicContact CD2-CE2 4.27Å; L160-Y164 HydrophobicContact CG-CD2 3.87Å; L160-Y164 HydrophobicContact CG-CE2 3.71Å; L160-Y164 VanDerWaalsContact O-CD2 3.22Å; L160-Y164 WeakPolarHBondContact O-CD2 3.3Å; L160-Y164 PolarHBondContact O-N 2.87Å
161A94.4Very high95.5Very high21 Ų2143 Ų4317%0.17424%0.241CC..Hα-helixtrans-62.6-43.4173.300000111.7T123 H157 Q158 Y164 R165T123-A161 HydrophobicContact CG2-CB 4.14Å; H157-A161 PolarHBondContact O-N 2.7Å; Q158-A161 PolarHBondContact O-N 3.47Å; A161-Y164 PolarHBondContact O-N 2.7Å; A161-R165 WeakPolarHBondContact O-CB 3.22Å; A161-R165 PolarHBondContact O-N 2.85Å
162A95.3Very high95.6Very high18 Ų1837.8 Ų37.815%0.14922%0.217CC..Hα-helixtrans-63-41.9175.100000111.8I150 Q158 Q159 R165 H166I150-A162 HydrophobicContact CG1-CB 4.35Å; Q158-A162 WeakPolarHBondContact O-CB 3.3Å; Q158-A162 PolarHBondContact O-N 3.27Å; Q159-A162 PolarHBondContact O-N 2.93Å; A162-R165 WeakPolarHBondContact O-CB 3.25Å; A162-R165 PolarHBondContact O-N 3.21Å; A162-H166 PolarHBondContact O-CD2 3.01Å; A162-H166 PolarHBondContact O-N 2.9Å
163F96.8Very high95.7Very high1 Ų133.5 Ų33.50%0.00419%0.186CC..Hα-helixtrans-56.3-52.1173.1171.3-82.4000111.3F134 F135 M138 F142 W147 I150 Q159 L160 R165 H166 W167F134-F163 AromaticContact CE1-CD1 3.82Å; F134-F163 HydrophobicContact CE1-CD1 3.82Å; F134-F163 HydrophobicContact CE1-CD2 4.42Å; F134-F163 AromaticContact CE1-CE1 3.49Å; F134-F163 HydrophobicContact CE1-CE1 3.49Å; F134-F163 VanDerWaalsContact CE1-CE1 3.49Å; F134-F163 HydrophobicContact CE1-CE2 4.06Å; F134-F163 HydrophobicContact CE1-CG 4.31Å; F134-F163 AromaticContact CE1-CZ 3.62Å; F134-F163 HydrophobicContact CE1-CZ 3.62Å; F134-F163 HydrophobicContact CE2-CZ 4.49Å; F134-F163 HydrophobicContact CZ-CD1 4.28Å; F134-F163 AromaticContact CZ-CE1 3.48Å; F134-F163 HydrophobicContact CZ-CE1 3.48Å; F134-F163 VanDerWaalsContact CZ-CE1 3.48Å; F134-F163 HydrophobicContact CZ-CE2 4.25Å; F134-F163 AromaticContact CZ-CZ 3.47Å; F134-F163 HydrophobicContact CZ-CZ 3.47Å; F134-F163 VanDerWaalsContact CZ-CZ 3.47Å; F135-F163 AromaticContact CD1-CD2 3.91Å; F135-F163 HydrophobicContact CD1-CD2 3.91Å; F135-F163 HydrophobicContact CD1-CE2 4.34Å; F135-F163 HydrophobicContact CD1-CG 4.45Å; F135-F163 HydrophobicContact CE1-CB 3.77Å; F135-F163 AromaticContact CE1-CD2 3.69Å; F135-F163 HydrophobicContact CE1-CD2 3.69Å; F135-F163 HydrophobicContact CE1-CE2 4.48Å; F135-F163 AromaticContact CE1-CG 3.81Å; F135-F163 HydrophobicContact CE1-CG 3.81Å; F135-F163 HydrophobicContact CZ-CB 4.09Å; M138-F163 HydrophobicContact CB-CE2 3.63Å; M138-F163 HydrophobicContact CB-CZ 3.94Å; M138-F163 HydrophobicContact CE-CZ 3.71Å; M138-F163 HydrophobicContact CG-CE2 3.96Å; M138-F163 HydrophobicContact CG-CZ 3.77Å; F142-F163 HydrophobicContact CD2-CD2 4.46Å; F142-F163 HydrophobicContact CD2-CE2 4.13Å; F142-F163 AromaticContact CE2-CD2 3.71Å; F142-F163 HydrophobicContact CE2-CD2 3.71Å; F142-F163 AromaticContact CE2-CE2 3.25Å; F142-F163 HydrophobicContact CE2-CE2 3.25Å; F142-F163 AromaticContact CE2-CZ 3.8Å; F142-F163 HydrophobicContact CE2-CZ 3.8Å; F142-F163 HydrophobicContact CZ-CD2 4.13Å; F142-F163 AromaticContact CZ-CE2 3.92Å; F142-F163 HydrophobicContact CZ-CE2 3.92Å; F142-F163 HydrophobicContact CZ-CZ 4.21Å; W147-F163 AromaticContact CH2-CD2 3.87Å; W147-F163 HydrophobicContact CH2-CD2 3.87Å; W147-F163 AromaticContact CH2-CE2 3.96Å; W147-F163 HydrophobicContact CH2-CE2 3.96Å; W147-F163 HydrophobicContact CZ3-CD2 4.24Å; I150-F163 HydrophobicContact CD1-CB 4.48Å; I150-F163 HydrophobicContact CG2-CB 4.08Å; Q159-F163 WeakPolarHBondContact O-CB 3.1Å; Q159-F163 PolarHBondContact O-N 2.8Å; L160-F163 WeakPolarHBondContact O-CB 3.14Å; L160-F163 PolarHBondContact O-N 2.91Å; F163-R165 VanDerWaalsContact C-N 3.32Å; F163-R165 PolarHBondContact O-N 2.95Å; F163-H166 PolarHBondContact O-N 3.5Å; F163-W167 HydrophobicContact CE1-CB 4.42Å; F163-W167 HydrophobicContact CZ-CE3 4.2Å; F163-W167 WeakPolarHBondContact O-CB 3.32Å; F163-W167 PolarHBondContact O-N 3.23Å
164Y96.6Very high95.8Very high16 Ų1632.8 Ų32.86%0.06318%0.179CC..Hα-helixtrans-68.2-32.7-178.7-81.8-66.8000112.1M121 T123 T124 L160 A161 W167 T168M121-Y164 HydrophobicContact CB-CD1 3.82Å; M121-Y164 HydrophobicContact CB-CG 4.44Å; M121-Y164 HydrophobicContact CG-CD1 4.28Å; M121-Y164 HydrophobicContact SD-CD1 4.33Å; M121-Y164 HydrophobicContact SD-CE1 4.47Å; T123-Y164 HydrophobicContact CG2-CD2 4.29Å; T124-Y164 WeakPolarHBondContact O-CE2 3.47Å; T124-Y164 PolarHBondContact O-OH 2.81Å; L160-Y164 HydrophobicContact CD1-CD2 4.04Å; L160-Y164 HydrophobicContact CD1-CE2 3.61Å; L160-Y164 HydrophobicContact CD2-CE2 4.27Å; L160-Y164 HydrophobicContact CG-CD2 3.87Å; L160-Y164 HydrophobicContact CG-CE2 3.71Å; L160-Y164 VanDerWaalsContact O-CD2 3.22Å; L160-Y164 WeakPolarHBondContact O-CD2 3.3Å; L160-Y164 PolarHBondContact O-N 2.87Å; A161-Y164 PolarHBondContact O-N 2.7Å; Y164-W167 PolarHBondContact O-N 3.45Å; Y164-T168 WeakPolarHBondContact O-CB 3.48Å; Y164-T168 PolarHBondContact O-N 2.92Å; Y164-T168 PolarHBondContact O-OG1 3.43Å
165R96.6Very high95.9Very high32 Ų3230.4 Ų30.412%0.12115%0.15CC..Hα-helixtrans-58.3-52.6171.4-175.8177.7177.6-171.6-0.2111.6A161 A162 F163 W167 T168 L169 L192 E222A161-R165 WeakPolarHBondContact O-CB 3.22Å; A161-R165 PolarHBondContact O-N 2.85Å; A162-R165 WeakPolarHBondContact O-CB 3.25Å; A162-R165 PolarHBondContact O-N 3.21Å; F163-R165 VanDerWaalsContact C-N 3.32Å; F163-R165 PolarHBondContact O-N 2.95Å; R165-W167 PolarHBondContact O-N 2.92Å; R165-T168 PolarHBondContact O-N 3.36Å; R165-L169 PolarHBondContact O-N 3.43Å; R165-L169 VanDerWaalsContact O-N 3.14Å; R165-L192 HydrophobicContact CG-CD1 4.43Å; R165-L192 HydrophobicContact CG-CD2 4.37Å; R165-E222 WeakPolarHBondContact CG-OE1 3.31Å; R165-E222 IonicContact CZ-OE1 2.87Å; R165-E222 IonicContact CZ-OE2 2.72Å; R165-E222 IonicContact NE-OE1 3.67Å; R165-E222 PolarHBondContact NE-OE1 3.29Å; R165-E222 IonicContact NE-OE2 2.7Å; R165-E222 IonicContact NH2-OE1 2.66Å; R165-E222 PolarHBondContact NH2-OE1 3.06Å; R165-E222 IonicContact NH2-OE2 3.37Å; R165-E222 PolarHBondContact NH2-OE2 3.41Å
166H97.8Very high95.9Very high0 Ų028.5 Ų28.50%014%0.137CC..Hα-helixtrans-62.7-41.1175.5-80.3-82.2000112.5F142 E146 I150 A162 F163 T168 L169 K170 F190 L192F142-H166 HydrophobicContact CD1-CB 3.96Å; F142-H166 HydrophobicContact CE1-CB 3.46Å; F142-H166 VanDerWaalsContact CE1-CB 3.46Å; F142-H166 HydrophobicContact CZ-CB 4.35Å; E146-H166 IonicContact OE1-ND1 3.29Å; I150-H166 HydrophobicContact CD1-CB 4.47Å; A162-H166 PolarHBondContact O-CD2 3.01Å; A162-H166 PolarHBondContact O-N 2.9Å; F163-H166 PolarHBondContact O-N 3.5Å; H166-T168 PolarHBondContact O-N 3.03Å; H166-L169 WeakPolarHBondContact O-CB 3.46Å; H166-L169 PolarHBondContact O-N 3.48Å; H166-K170 PolarHBondContact O-N 2.7Å; H166-F190 PolarHBondContact CE1-O 2.87Å; H166-L192 VanDerWaalsContact NE2-CD1 3.34Å; H166-L192 WeakPolarHBondContact NE2-CD1 3.36Å
167W97.6Very high95.8Very high42 Ų4226.3 Ų26.316%0.15913%0.128CC..Hα-helixtrans-59.2-47.4177.9-173.3-87000111.5M121 M138 Q141 F142 F163 Y164 R165 L169 K170 E171 L185M121-W167 VanDerWaalsContact CE-CD1 3.46Å; M121-W167 VanDerWaalsContact CE-NE1 3.34Å; M121-W167 VanDerWaalsContact SD-CD1 3.57Å; M138-W167 HydrophobicContact CE-CE3 3.79Å; M138-W167 HydrophobicContact CE-CH2 3.61Å; M138-W167 HydrophobicContact CE-CZ2 4.32Å; M138-W167 HydrophobicContact CE-CZ3 3.29Å; Q141-W167 HydrophobicContact CB-CE3 4.48Å; Q141-W167 HydrophobicContact CB-CZ3 3.73Å; Q141-W167 HydrophobicContact CG-CH2 4.43Å; Q141-W167 HydrophobicContact CG-CZ3 3.83Å; F142-W167 AromaticContact CE2-CE3 3.98Å; F142-W167 HydrophobicContact CE2-CE3 3.98Å; F142-W167 HydrophobicContact CZ-CB 4.04Å; F142-W167 AromaticContact CZ-CE3 3.68Å; F142-W167 HydrophobicContact CZ-CE3 3.68Å; F163-W167 HydrophobicContact CE1-CB 4.42Å; F163-W167 HydrophobicContact CZ-CE3 4.2Å; F163-W167 WeakPolarHBondContact O-CB 3.32Å; F163-W167 PolarHBondContact O-N 3.23Å; Y164-W167 PolarHBondContact O-N 3.45Å; R165-W167 PolarHBondContact O-N 2.92Å; W167-L169 VanDerWaalsContact C-N 3.31Å; W167-L169 PolarHBondContact O-N 3.15Å; W167-K170 PolarHBondContact O-N 3.09Å; W167-E171 HydrophobicContact CZ2-CG 4.44Å; W167-E171 WeakPolarHBondContact O-CB 3.36Å; W167-E171 PolarHBondContact O-N 2.77Å; W167-L185 HydrophobicContact CH2-CD1 4.05Å; W167-L185 HydrophobicContact CZ3-CD1 3.98Å
168T97.6Very high95.6Very high1 Ų122.5 Ų22.51%0.00612%0.118CC..Hα-helixtrans-61.9-40.6-179.9-47.70000111D119 M121 Y164 R165 H166 S172 A232D119-T168 VanDerWaalsContact C-CG2 3.47Å; D119-T168 HydrophobicContact CB-CG2 3.8Å; D119-T168 WeakPolarHBondContact O-CG2 3.15Å; M121-T168 VanDerWaalsContact CB-OG1 3.28Å; M121-T168 WeakPolarHBondContact CB-OG1 3.27Å; M121-T168 HydrophobicContact CG-CG2 4.36Å; M121-T168 VanDerWaalsContact CG-OG1 3.24Å; M121-T168 WeakPolarHBondContact CG-OG1 3.22Å; Y164-T168 WeakPolarHBondContact O-CB 3.48Å; Y164-T168 PolarHBondContact O-N 2.92Å; Y164-T168 PolarHBondContact O-OG1 3.43Å; R165-T168 PolarHBondContact O-N 3.36Å; H166-T168 PolarHBondContact O-N 3.03Å; T168-S172 VanDerWaalsContact O-CB 3.3Å; T168-S172 WeakPolarHBondContact O-CB 3.35Å; T168-S172 PolarHBondContact O-N 3.12Å; T168-S172 PolarHBondContact O-OG 3.1Å; T168-A232 HydrophobicContact CG2-CB 3.7Å; T168-A232 VanDerWaalsContact CG2-N 3.34Å
169L98.3Very high95Very high0 Ų019.8 Ų19.80%011%0.108CC..Hα-helixtrans-59.3-52.9174.5-78163.2000111.9R165 H166 W167 E171 S172 F173 F190 L192 T206 F220 E222 A232R165-L169 PolarHBondContact O-N 3.43Å; R165-L169 VanDerWaalsContact O-N 3.14Å; H166-L169 WeakPolarHBondContact O-CB 3.46Å; H166-L169 PolarHBondContact O-N 3.48Å; W167-L169 VanDerWaalsContact C-N 3.31Å; W167-L169 PolarHBondContact O-N 3.15Å; L169-E171 PolarHBondContact O-N 3.27Å; L169-S172 PolarHBondContact O-N 2.77Å; L169-S172 PolarHBondContact O-OG 2.97Å; L169-F173 PolarHBondContact O-N 3.31Å; L169-F173 VanDerWaalsContact O-N 3.09Å; L169-F190 HydrophobicContact CB-CD1 3.84Å; L169-F190 HydrophobicContact CB-CD2 4.16Å; L169-F190 HydrophobicContact CB-CE1 3.78Å; L169-F190 HydrophobicContact CB-CE2 4.12Å; L169-F190 HydrophobicContact CB-CG 4.02Å; L169-F190 HydrophobicContact CB-CZ 3.93Å; L169-F190 HydrophobicContact CD1-CB 4.27Å; L169-F190 HydrophobicContact CD1-CD1 3.95Å; L169-F190 HydrophobicContact CD1-CG 4.16Å; L169-F190 HydrophobicContact CD2-CD1 4.08Å; L169-F190 HydrophobicContact CD2-CE1 3.98Å; L169-F190 HydrophobicContact CG-CD1 4.19Å; L169-F190 HydrophobicContact CG-CE1 4.34Å; L169-L192 HydrophobicContact CD1-CD2 3.41Å; L169-L192 VanDerWaalsContact CD1-CD2 3.41Å; L169-T206 HydrophobicContact CD1-CG2 3.86Å; L169-T206 HydrophobicContact CD2-CG2 4.05Å; L169-F220 HydrophobicContact CD2-CB 3.79Å; L169-F220 HydrophobicContact CD2-CD1 4Å; L169-F220 HydrophobicContact CD2-CG 4.05Å; L169-E222 HydrophobicContact CD2-CG 3.91Å; L169-A232 HydrophobicContact CD2-CB 4.04Å; L169-A232 HydrophobicContact CG-CB 4.24Å
170K97.9Very high94.2Very high2 Ų219.2 Ų19.21%0.00911%0.113CC..Hα-helixtrans-60.4-44.4179.3-69.1-177.7-171.8-83.90112.5Q141 F142 E146 H166 W167 S172 F173 I174 L185 A188 F190Q141-K170 VanDerWaalsContact O-CE 3.25Å; Q141-K170 WeakPolarHBondContact O-CE 3.38Å; F142-K170 HydrophobicContact CD1-CD 4.12Å; F142-K170 HydrophobicContact CE1-CD 3.97Å; E146-K170 VanDerWaalsContact CD-CE 3.49Å; E146-K170 VanDerWaalsContact CD-NZ 3.26Å; E146-K170 WeakPolarHBondContact OE1-CE 3.29Å; E146-K170 IonicContact OE1-NZ 3.61Å; E146-K170 PolarHBondContact OE1-NZ 3.46Å; E146-K170 WeakPolarHBondContact OE2-CE 3.48Å; E146-K170 IonicContact OE2-NZ 2.65Å; E146-K170 PolarHBondContact OE2-NZ 2.83Å; H166-K170 PolarHBondContact O-N 2.7Å; W167-K170 PolarHBondContact O-N 3.09Å; K170-S172 VanDerWaalsContact C-N 3.35Å; K170-S172 PolarHBondContact O-N 2.88Å; K170-F173 PolarHBondContact O-N 3.41Å; K170-I174 WeakPolarHBondContact O-CG1 3.33Å; K170-I174 PolarHBondContact O-N 3.06Å; K170-L185 HydrophobicContact CB-CD2 3.79Å; K170-L185 HydrophobicContact CD-CB 4.19Å; K170-L185 HydrophobicContact CD-CD2 3.85Å; K170-L185 HydrophobicContact CD-CG 4.5Å; K170-L185 HydrophobicContact CG-CD2 4.36Å; K170-L185 PolarHBondContact NZ-O 2.98Å; K170-A188 PolarHBondContact NZ-O 2.96Å; K170-F190 HydrophobicContact CB-CE2 4.28Å; K170-F190 HydrophobicContact CG-CD2 3.79Å; K170-F190 HydrophobicContact CG-CE2 3.65Å
171E97.3Very high93.2Very high39 Ų3927.6 Ų27.618%0.18216%0.157CC..Hα-helixtrans-65.3-37.8177.9-77.2-65.5143.200112D119 M121 W167 L169 F173 I174 K175D119-E171 HydrophobicContact CB-CB 3.81Å; D119-E171 WeakPolarHBondContact OD2-CB 3.48Å; M121-E171 HydrophobicContact CE-CG 4.41Å; W167-E171 HydrophobicContact CZ2-CG 4.44Å; W167-E171 WeakPolarHBondContact O-CB 3.36Å; W167-E171 PolarHBondContact O-N 2.77Å; L169-E171 PolarHBondContact O-N 3.27Å; E171-F173 VanDerWaalsContact C-N 3.33Å; E171-F173 PolarHBondContact O-N 2.9Å; E171-I174 PolarHBondContact O-N 3.41Å; E171-K175 VanDerWaalsContact O-CB 3.28Å; E171-K175 WeakPolarHBondContact O-CB 3.4Å; E171-K175 WeakPolarHBondContact O-CG 3.12Å; E171-K175 PolarHBondContact O-N 2.95Å
172S97.8Very high92.6Very high0 Ų030.3 Ų30.30%019%0.186CC..Hα-helixtrans-61.5-42.2175.377.50000111.4G117 T168 L169 K170 K175 A176 A232G117-S172 WeakPolarHBondContact CA-O 3.34Å; T168-S172 VanDerWaalsContact O-CB 3.3Å; T168-S172 WeakPolarHBondContact O-CB 3.35Å; T168-S172 PolarHBondContact O-N 3.12Å; T168-S172 PolarHBondContact O-OG 3.1Å; L169-S172 PolarHBondContact O-N 2.77Å; L169-S172 PolarHBondContact O-OG 2.97Å; K170-S172 VanDerWaalsContact C-N 3.35Å; K170-S172 PolarHBondContact O-N 2.88Å; S172-K175 PolarHBondContact O-N 3.17Å; S172-A176 PolarHBondContact O-N 2.89Å; S172-A232 VanDerWaalsContact CB-O 3.31Å; S172-A232 WeakPolarHBondContact CB-O 3.3Å
173F97.3Very high92.3Very high5 Ų530.7 Ų30.72%0.02219%0.185CC..Hα-helixtrans-63.7-50.5174.9172.9-113.9000112.1L169 K170 E171 K175 A176 I177 F183 A188 F190 M208 W218 F220 A234L169-F173 PolarHBondContact O-N 3.31Å; L169-F173 VanDerWaalsContact O-N 3.09Å; K170-F173 PolarHBondContact O-N 3.41Å; E171-F173 VanDerWaalsContact C-N 3.33Å; E171-F173 PolarHBondContact O-N 2.9Å; F173-K175 VanDerWaalsContact C-N 3.26Å; F173-K175 PolarHBondContact O-N 3.16Å; F173-A176 WeakPolarHBondContact O-CA 3.15Å; F173-A176 VanDerWaalsContact O-CB 3.29Å; F173-A176 WeakPolarHBondContact O-CB 3.36Å; F173-A176 PolarHBondContact O-N 2.91Å; F173-I177 HydrophobicContact CD1-CD1 4.39Å; F173-I177 HydrophobicContact CD2-CG2 4.31Å; F173-I177 HydrophobicContact CE1-CD1 3.84Å; F173-I177 HydrophobicContact CE2-CG2 3.81Å; F173-I177 HydrophobicContact CZ-CD1 3.96Å; F173-I177 HydrophobicContact CZ-CG2 4.11Å; F173-I177 PolarHBondContact O-N 2.66Å; F173-F183 HydrophobicContact CD1-CZ 4.49Å; F173-F183 HydrophobicContact CE1-CE1 4.2Å; F173-F183 HydrophobicContact CE1-CE2 4.13Å; F173-F183 AromaticContact CE1-CZ 3.71Å; F173-F183 HydrophobicContact CE1-CZ 3.71Å; F173-A188 HydrophobicContact CD1-CB 4.3Å; F173-A188 HydrophobicContact CE1-CB 4.31Å; F173-F190 HydrophobicContact CB-CZ 4.3Å; F173-M208 HydrophobicContact CD1-SD 4.1Å; F173-M208 HydrophobicContact CD2-CE 4.06Å; F173-M208 HydrophobicContact CD2-SD 3.96Å; F173-M208 HydrophobicContact CE1-SD 4.24Å; F173-M208 HydrophobicContact CE2-CE 3.7Å; F173-M208 HydrophobicContact CE2-SD 4.1Å; F173-M208 HydrophobicContact CG-SD 3.96Å; F173-M208 HydrophobicContact CZ-CE 3.95Å; F173-M208 HydrophobicContact CZ-SD 4.24Å; F173-W218 AromaticContact CD2-CD2 3.9Å; F173-W218 HydrophobicContact CD2-CD2 3.9Å; F173-W218 AromaticContact CD2-CE2 3.95Å; F173-W218 AromaticContact CD2-CE3 3.88Å; F173-W218 HydrophobicContact CD2-CE3 3.88Å; F173-W218 HydrophobicContact CD2-CH2 4Å; F173-W218 HydrophobicContact CD2-CZ2 4.01Å; F173-W218 AromaticContact CD2-CZ3 3.94Å; F173-W218 HydrophobicContact CD2-CZ3 3.94Å; F173-W218 AromaticContact CE2-CD2 3.86Å; F173-W218 HydrophobicContact CE2-CD2 3.86Å; F173-W218 AromaticContact CE2-CE2 3.5Å; F173-W218 HydrophobicContact CE2-CE3 4.29Å; F173-W218 HydrophobicContact CE2-CG 4.41Å; F173-W218 HydrophobicContact CE2-CH2 4.1Å; F173-W218 AromaticContact CE2-CZ2 3.64Å; F173-W218 HydrophobicContact CE2-CZ2 3.64Å; F173-W218 HydrophobicContact CE2-CZ3 4.4Å; F173-W218 AromaticContact CE2-NE1 3.83Å; F173-F220 HydrophobicContact CB-CE1 4.12Å; F173-F220 HydrophobicContact CD2-CZ 4.5Å; F173-A234 HydrophobicContact CB-CB 4.49Å
174I95Very high92.1Very high9 Ų934.7 Ų34.75%0.04621%0.206CC..Hα-helixtrans-58.5-40.8178.9-73.3165.4000111.6K170 E171 A176 I177 G178 F183 L185K170-I174 WeakPolarHBondContact O-CG1 3.33Å; K170-I174 PolarHBondContact O-N 3.06Å; E171-I174 PolarHBondContact O-N 3.41Å; I174-A176 VanDerWaalsContact C-N 3.3Å; I174-A176 PolarHBondContact O-N 3.26Å; I174-I177 WeakPolarHBondContact O-CG1 3.21Å; I174-G178 PolarHBondContact O-N 2.9Å; I174-F183 HydrophobicContact CD1-CB 4.21Å; I174-F183 HydrophobicContact CD1-CD1 3.92Å; I174-F183 HydrophobicContact CD1-CG 4.38Å; I174-F183 HydrophobicContact CG1-CB 4.11Å; I174-F183 HydrophobicContact CG1-CD1 3.86Å; I174-F183 HydrophobicContact CG1-CG 4.07Å; I174-L185 HydrophobicContact CD1-CD2 3.17Å; I174-L185 HydrophobicContact CD1-CG 4.25Å; I174-L185 HydrophobicContact CG1-CD2 4.46Å
175K94.3Very high91.9Very high51 Ų5134.5 Ų34.522%0.22221%0.206CC..Hα-helixtrans-66.5-33177.2-76.5174.4177.8179.70112.5K78 S100 V118 D119 E171 S172 F173K78-K175 PolarHBondContact NZ-O 3.43Å; S100-K175 PolarHBondContact OG-NZ 2.62Å; V118-K175 WeakPolarHBondContact O-CD 3.49Å; D119-K175 HydrophobicContact CB-CD 4.49Å; D119-K175 IonicContact OD1-NZ 3.83Å; D119-K175 PolarHBondContact OD1-NZ 3.48Å; E171-K175 VanDerWaalsContact O-CB 3.28Å; E171-K175 WeakPolarHBondContact O-CB 3.4Å; E171-K175 WeakPolarHBondContact O-CG 3.12Å; E171-K175 PolarHBondContact O-N 2.95Å; S172-K175 PolarHBondContact O-N 3.17Å; F173-K175 VanDerWaalsContact C-N 3.26Å; F173-K175 PolarHBondContact O-N 3.16Å
176A93.7Very high91.9Very high8 Ų837.4 Ų37.47%0.06622%0.221CC..Hα-helixtrans-64.4-56.7174.400000110.4S172 F173 I174 G178 W218 A234S172-A176 PolarHBondContact O-N 2.89Å; F173-A176 WeakPolarHBondContact O-CA 3.15Å; F173-A176 VanDerWaalsContact O-CB 3.29Å; F173-A176 WeakPolarHBondContact O-CB 3.36Å; F173-A176 PolarHBondContact O-N 2.91Å; I174-A176 VanDerWaalsContact C-N 3.3Å; I174-A176 PolarHBondContact O-N 3.26Å; A176-G178 VanDerWaalsContact C-N 3.27Å; A176-G178 PolarHBondContact O-N 2.69Å; A176-W218 HydrophobicContact CB-CH2 3.5Å; A176-W218 HydrophobicContact CB-CZ3 3.53Å; A176-A234 HydrophobicContact CB-CB 4.25Å
177I91.8Very high91.8Very high55 Ų5542 Ų4228%0.28224%0.239SC..Hα-helixtrans-73.1-15.1-177.865.8174.1000114F173 I174 T179 F183 W218F173-I177 HydrophobicContact CD1-CD1 4.39Å; F173-I177 HydrophobicContact CD2-CG2 4.31Å; F173-I177 HydrophobicContact CE1-CD1 3.84Å; F173-I177 HydrophobicContact CE2-CG2 3.81Å; F173-I177 HydrophobicContact CZ-CD1 3.96Å; F173-I177 HydrophobicContact CZ-CG2 4.11Å; F173-I177 PolarHBondContact O-N 2.66Å; I174-I177 WeakPolarHBondContact O-CG1 3.21Å; I177-T179 VanDerWaalsContact C-N 3.32Å; I177-T179 HydrophobicContact CD1-CG2 3.59Å; I177-T179 WeakPolarHBondContact CD1-OG1 3.5Å; I177-T179 HydrophobicContact CG1-CG2 3.83Å; I177-T179 WeakPolarHBondContact CG1-OG1 3.36Å; I177-T179 PolarHBondContact O-N 3.01Å; I177-F183 HydrophobicContact CD1-CD2 3.92Å; I177-F183 HydrophobicContact CD1-CE2 4.02Å; I177-W218 HydrophobicContact CG2-CH2 3.71Å; I177-W218 HydrophobicContact CG2-CZ2 3.53Å
178G87.3Confident91.8Very high28 Ų2840.1 Ų40.129%0.28923%0.231SC..THydrogen-bonded Turntrans74.214.9172.800000115.5R76 I174 A176 G180R76-G178 PolarHBondContact NH1-O 3.37Å; I174-G178 PolarHBondContact O-N 2.9Å; A176-G178 VanDerWaalsContact C-N 3.27Å; A176-G178 PolarHBondContact O-N 2.69Å; G178-G180 VanDerWaalsContact C-N 3.33Å; G178-G180 PolarHBondContact O-N 2.85Å
179T80.8Confident91.8Very high41 Ų4142.3 Ų42.325%0.25224%0.242SC..  trans-69.7-26.5-179.449.10000113.4R76 I177 F183R76-T179 PolarHBondContact NE-O 2.86Å; R76-T179 VanDerWaalsContact NH1-C 3.35Å; R76-T179 PolarHBondContact NH1-O 2.76Å; R76-T179 VanDerWaalsContact NH1-O 3.07Å; I177-T179 VanDerWaalsContact C-N 3.32Å; I177-T179 HydrophobicContact CD1-CG2 3.59Å; I177-T179 WeakPolarHBondContact CD1-OG1 3.5Å; I177-T179 HydrophobicContact CG1-CG2 3.83Å; I177-T179 WeakPolarHBondContact CG1-OG1 3.36Å; I177-T179 PolarHBondContact O-N 3.01Å; T179-F183 HydrophobicContact CG2-CD2 4.47Å
180G78.3Confident91.8Very high28 Ų2842.3 Ų42.329%0.28924%0.242SC..G310 helixtrans64-152.2-177.500000112.7G178 G182 F183G178-G180 VanDerWaalsContact C-N 3.33Å; G178-G180 PolarHBondContact O-N 2.85Å; G180-G182 PolarHBondContact O-N 3.36Å; G180-F183 PolarHBondContact O-N 3.31Å
181L75.5Confident91.8Very high183 Ų18344.3 Ų44.396%0.95825%0.251SS*.G310 helixtrans-63.5-9.5-173.1-61.3175.9000115.6F183L181-F183 VanDerWaalsContact C-N 3.32Å
182G81.3Confident91.7Very high77 Ų7744.2 Ų44.279%0.79425%0.252SS*.G310 helixtrans-83.3-5-178.900000114.5G180G180-G182 PolarHBondContact O-N 3.36Å
183F88.4Confident91.2Very high26 Ų2644.8 Ų44.811%0.11426%0.256CS..SBendtrans-80.1130179-171.4-92.3000111F173 I174 I177 T179 G180 L181 L185 R187 A188 L210F173-F183 HydrophobicContact CD1-CZ 4.49Å; F173-F183 HydrophobicContact CE1-CE1 4.2Å; F173-F183 HydrophobicContact CE1-CE2 4.13Å; F173-F183 AromaticContact CE1-CZ 3.71Å; F173-F183 HydrophobicContact CE1-CZ 3.71Å; I174-F183 HydrophobicContact CD1-CB 4.21Å; I174-F183 HydrophobicContact CD1-CD1 3.92Å; I174-F183 HydrophobicContact CD1-CG 4.38Å; I174-F183 HydrophobicContact CG1-CB 4.11Å; I174-F183 HydrophobicContact CG1-CD1 3.86Å; I174-F183 HydrophobicContact CG1-CG 4.07Å; I177-F183 HydrophobicContact CD1-CD2 3.92Å; I177-F183 HydrophobicContact CD1-CE2 4.02Å; T179-F183 HydrophobicContact CG2-CD2 4.47Å; G180-F183 PolarHBondContact O-N 3.31Å; L181-F183 VanDerWaalsContact C-N 3.32Å; F183-L185 PolarHBondContact O-N 2.94Å; F183-R187 HydrophobicContact CE1-CB 4.35Å; F183-R187 HydrophobicContact CZ-CB 4.05Å; F183-A188 HydrophobicContact CE1-CB 4.1Å; F183-A188 HydrophobicContact CZ-CB 4.36Å; F183-L210 HydrophobicContact CE2-CD1 4.49Å; F183-L210 HydrophobicContact CZ-CD1 3.88Å
184N92.8Very high90.5Very high86 Ų8650.8 Ų50.846%0.4630%0.295SS..  trans-75.7106.2172.3179.36.6000109.8Q186 R187N184-Q186 PolarHBondContact O-N 2.87Å; N184-Q186 VanDerWaalsContact O-N 3.1Å; N184-Q186 PolarHBondContact OD1-N 3.34Å; N184-Q186 VanDerWaalsContact OD1-N 3.1Å; N184-R187 HydrophobicContact CB-CG 4.09Å; N184-R187 WeakPolarHBondContact O-CB 3.36Å; N184-R187 PolarHBondContact O-N 3.36Å
185L93.5Very high90.2Very high11 Ų1154.7 Ų54.76%0.05831%0.313CS..G310 helixtrans-57.9-22.2-179.1-71.5174.9000114.3Q141 W167 K170 I174 F183 R187 A188Q141-L185 HydrophobicContact CB-CD1 3.92Å; Q141-L185 HydrophobicContact CG-CD1 4.37Å; Q141-L185 VanDerWaalsContact O-CB 3.3Å; Q141-L185 WeakPolarHBondContact O-CB 3.37Å; W167-L185 HydrophobicContact CH2-CD1 4.05Å; W167-L185 HydrophobicContact CZ3-CD1 3.98Å; K170-L185 HydrophobicContact CB-CD2 3.79Å; K170-L185 HydrophobicContact CD-CB 4.19Å; K170-L185 HydrophobicContact CD-CD2 3.85Å; K170-L185 HydrophobicContact CD-CG 4.5Å; K170-L185 HydrophobicContact CG-CD2 4.36Å; K170-L185 PolarHBondContact NZ-O 2.98Å; I174-L185 HydrophobicContact CD1-CD2 3.17Å; I174-L185 HydrophobicContact CD1-CG 4.25Å; I174-L185 HydrophobicContact CG1-CD2 4.46Å; F183-L185 PolarHBondContact O-N 2.94Å; L185-R187 PolarHBondContact O-N 3.31Å; L185-A188 PolarHBondContact O-N 2.94Å
186Q95.2Very high89.8Confident94 Ų9459.3 Ų59.344%0.43934%0.339SS..G310 helixtrans-71.9-15.1177-63.5-163.9-34.700113.7R140 T143 N184 A188R140-Q186 WeakPolarHBondContact O-CG 3.22Å; R140-Q186 PolarHBondContact O-NE2 3.36Å; T143-Q186 WeakPolarHBondContact CG2-O 3.33Å; N184-Q186 PolarHBondContact O-N 2.87Å; N184-Q186 VanDerWaalsContact O-N 3.1Å; N184-Q186 PolarHBondContact OD1-N 3.34Å; N184-Q186 VanDerWaalsContact OD1-N 3.1Å; Q186-A188 VanDerWaalsContact C-N 3.35Å
187R96.2Very high89.6Confident97 Ų9760.2 Ų60.237%0.36634%0.343SS..G310 helixtrans-72.7-29.3177.2-66.2177.562.9-158.2-2.4112.8F183 N184 L185 L210 D211F183-R187 HydrophobicContact CE1-CB 4.35Å; F183-R187 HydrophobicContact CZ-CB 4.05Å; N184-R187 HydrophobicContact CB-CG 4.09Å; N184-R187 WeakPolarHBondContact O-CB 3.36Å; N184-R187 PolarHBondContact O-N 3.36Å; L185-R187 PolarHBondContact O-N 3.31Å; R187-L210 HydrophobicContact CB-CD1 4.08Å; R187-L210 CarbonylContact O-C 3.58Å; R187-L210 WeakPolarHBondContact O-CA 3.49Å; R187-D211 WeakPolarHBondContact CB-OD1 3.44Å; R187-D211 WeakPolarHBondContact CG-OD1 3.48Å; R187-D211 IonicContact CZ-OD1 2.7Å; R187-D211 IonicContact CZ-OD2 3.4Å; R187-D211 IonicContact NE-OD1 3.67Å; R187-D211 PolarHBondContact NE-OD1 2.84Å; R187-D211 IonicContact NE-OD2 3.51Å; R187-D211 PolarHBondContact NE-OD2 3Å; R187-D211 IonicContact NH2-OD1 3.87Å; R187-D211 IonicContact NH2-OD2 3.19Å; R187-D211 PolarHBondContact NH2-OD2 2.85Å; R187-D211 PolarHBondContact O-N 3.05Å
188A97.2Very high89.6Confident1 Ų160.8 Ų60.81%0.00835%0.349CS..EExtended strand (participates in β ladder)trans-102.9105.3-177.600000109.5K170 F173 F183 L185 Q186 F190 M208 H209 L210K170-A188 PolarHBondContact NZ-O 2.96Å; F173-A188 HydrophobicContact CD1-CB 4.3Å; F173-A188 HydrophobicContact CE1-CB 4.31Å; F183-A188 HydrophobicContact CE1-CB 4.1Å; F183-A188 HydrophobicContact CZ-CB 4.36Å; L185-A188 PolarHBondContact O-N 2.94Å; Q186-A188 VanDerWaalsContact C-N 3.35Å; A188-F190 HydrophobicContact CB-CE2 4.34Å; A188-M208 HydrophobicContact CB-CG 4.44Å; A188-M208 HydrophobicContact CB-SD 4.06Å; A188-H209 CarbonylContact C-O 3.43Å; A188-H209 WeakPolarHBondContact CA-O 3.13Å; A188-L210 HydrophobicContact CB-CD1 4.48Å
189E98.5Very high89.8Confident47 Ų4765 Ų6522%0.2237%0.365CS..EExtended strand (participates in β ladder)trans-98.9126.6177.1-179.1165.8109.700110.2T143 H145 E146 H191 M208 H209T143-E189 WeakPolarHBondContact CB-OE2 3.31Å; T143-E189 HydrophobicContact CG2-CB 3.95Å; T143-E189 HydrophobicContact CG2-CG 4.2Å; T143-E189 WeakPolarHBondContact CG2-OE2 3.37Å; T143-E189 PolarHBondContact OG1-OE2 3.34Å; H145-E189 VanDerWaalsContact CB-CD 3.47Å; H145-E189 HydrophobicContact CB-CG 4.28Å; H145-E189 WeakPolarHBondContact CB-OE1 3.3Å; H145-E189 WeakPolarHBondContact CB-OE2 3.4Å; H145-E189 IonicContact CD2-OE1 3.73Å; H145-E189 IonicContact CG-OE1 2.77Å; E146-E189 HydrophobicContact CG-CG 4.26Å; E189-H191 IonicContact OE1-CE1 2.86Å; E189-H191 PolarHBondContact OE1-CE1 3.48Å; E189-H191 IonicContact OE1-NE2 2.67Å; E189-H191 PolarHBondContact OE1-NE2 3.37Å; E189-M208 CarbonylContact O-C 3.52Å; E189-M208 VanDerWaalsContact O-CA 3.32Å; E189-M208 WeakPolarHBondContact O-CA 3.39Å; E189-H209 HydrophobicContact CB-CB 4.45Å; E189-H209 PolarHBondContact N-O 3Å; E189-H209 PolarHBondContact O-N 3.5Å
190F98.3Very high90.2Very high0 Ų066.2 Ų66.20%039%0.385CS..EExtended strand (participates in β ladder)trans-100.8131.9177.6-76.4-90.5000112.4E146 H166 L169 K170 F173 A188 T206 K207 M208 F220E146-F190 PolarHBondContact OE1-N 3.43Å; H166-F190 PolarHBondContact CE1-O 2.87Å; L169-F190 HydrophobicContact CB-CD1 3.84Å; L169-F190 HydrophobicContact CB-CD2 4.16Å; L169-F190 HydrophobicContact CB-CE1 3.78Å; L169-F190 HydrophobicContact CB-CE2 4.12Å; L169-F190 HydrophobicContact CB-CG 4.02Å; L169-F190 HydrophobicContact CB-CZ 3.93Å; L169-F190 HydrophobicContact CD1-CB 4.27Å; L169-F190 HydrophobicContact CD1-CD1 3.95Å; L169-F190 HydrophobicContact CD1-CG 4.16Å; L169-F190 HydrophobicContact CD2-CD1 4.08Å; L169-F190 HydrophobicContact CD2-CE1 3.98Å; L169-F190 HydrophobicContact CG-CD1 4.19Å; L169-F190 HydrophobicContact CG-CE1 4.34Å; K170-F190 HydrophobicContact CB-CE2 4.28Å; K170-F190 HydrophobicContact CG-CD2 3.79Å; K170-F190 HydrophobicContact CG-CE2 3.65Å; F173-F190 HydrophobicContact CB-CZ 4.3Å; A188-F190 HydrophobicContact CB-CE2 4.34Å; F190-T206 HydrophobicContact CD1-CG2 3.85Å; F190-K207 WeakPolarHBondContact CA-O 3.4Å; F190-M208 HydrophobicContact CD1-CB 4.15Å; F190-M208 HydrophobicContact CD1-CG 4.38Å; F190-M208 HydrophobicContact CE1-CB 3.9Å; F190-M208 HydrophobicContact CE1-CG 4.02Å; F190-M208 HydrophobicContact CE1-SD 4.24Å; F190-M208 HydrophobicContact CE2-CG 4.13Å; F190-M208 HydrophobicContact CE2-SD 4.12Å; F190-M208 HydrophobicContact CZ-CB 4.28Å; F190-M208 HydrophobicContact CZ-CG 3.89Å; F190-M208 HydrophobicContact CZ-SD 3.68Å; F190-F220 AromaticContact CE1-CD1 3.69Å; F190-F220 HydrophobicContact CE1-CD1 3.69Å; F190-F220 AromaticContact CE1-CD2 3.89Å; F190-F220 HydrophobicContact CE1-CD2 3.89Å; F190-F220 AromaticContact CE1-CE1 3.47Å; F190-F220 HydrophobicContact CE1-CE1 3.47Å; F190-F220 VanDerWaalsContact CE1-CE1 3.47Å; F190-F220 AromaticContact CE1-CE2 3.69Å; F190-F220 HydrophobicContact CE1-CE2 3.69Å; F190-F220 AromaticContact CE1-CG 3.89Å; F190-F220 HydrophobicContact CE1-CG 3.89Å; F190-F220 AromaticContact CE1-CZ 3.47Å; F190-F220 HydrophobicContact CE1-CZ 3.47Å; F190-F220 VanDerWaalsContact CE1-CZ 3.47Å; F190-F220 HydrophobicContact CZ-CD1 4.23Å; F190-F220 AromaticContact CZ-CE1 3.64Å; F190-F220 HydrophobicContact CZ-CE1 3.64Å; F190-F220 HydrophobicContact CZ-CE2 4.38Å; F190-F220 AromaticContact CZ-CZ 3.73Å; F190-F220 HydrophobicContact CZ-CZ 3.73Å
191H97.6Very high90.9Very high45 Ų4567.5 Ų67.521%0.20839%0.387CS..EExtended strand (participates in β ladder)trans-106.1103.5172.7-60.1-82.3000109.1H145 E189 T206 K207 H209H145-H191 AromaticContact CD2-CE1 3.55Å; H145-H191 AromaticContact CD2-ND1 3.38Å; H145-H191 PolarHBondContact CD2-ND1 3.11Å; H145-H191 AromaticContact CE1-ND1 3.59Å; H145-H191 AromaticContact NE2-CE1 3.54Å; H145-H191 AromaticContact NE2-CG 3.96Å; H145-H191 AromaticContact NE2-ND1 2.93Å; H145-H191 PolarHBondContact NE2-ND1 3.32Å; E189-H191 IonicContact OE1-CE1 2.86Å; E189-H191 PolarHBondContact OE1-CE1 3.48Å; E189-H191 IonicContact OE1-NE2 2.67Å; E189-H191 PolarHBondContact OE1-NE2 3.37Å; H191-T206 WeakPolarHBondContact O-CA 3.49Å; H191-K207 HydrophobicContact CB-CB 4.44Å; H191-K207 PolarHBondContact N-O 3.33Å; H191-K207 PolarHBondContact O-N 2.91Å; H191-H209 AromaticContact CD2-CD2 3.74Å; H191-H209 AromaticContact CD2-NE2 3.84Å; H191-H209 AromaticContact NE2-CD2 3.77Å; H191-H209 AromaticContact NE2-CE1 3.62Å; H191-H209 AromaticContact NE2-CG 3.67Å; H191-H209 AromaticContact NE2-ND1 3.58Å; H191-H209 AromaticContact NE2-NE2 3.76Å
192L95.1Very high91.8Very high37 Ų3760.2 Ų60.219%0.19435%0.35CS..  trans-69.8144.3-178-57.9-176.3000111.4T149 R165 H166 L169 T206T149-L192 HydrophobicContact CG2-CD1 4.25Å; R165-L192 HydrophobicContact CG-CD1 4.43Å; R165-L192 HydrophobicContact CG-CD2 4.37Å; H166-L192 VanDerWaalsContact NE2-CD1 3.34Å; H166-L192 WeakPolarHBondContact NE2-CD1 3.36Å; L169-L192 HydrophobicContact CD1-CD2 3.41Å; L169-L192 VanDerWaalsContact CD1-CD2 3.41Å; L192-T206 HydrophobicContact CD2-CG2 4.14Å
193S88.4Confident92.5Very high12 Ų1257 Ų578%0.08431%0.314CS..  trans-61.6142.7166.7-175.30000111.5E195 T206S193-E195 PolarHBondContact O-N 3.14Å; S193-E195 WeakPolarHBondContact OG-CB 3.37Å; S193-E195 PolarHBondContact OG-N 3.44Å; S193-T206 PolarHBondContact N-OG1 3.47Å
194P82.3Confident92.8Very high130 Ų13058.6 Ų58.684%0.84432%0.32SS*.SBendtrans-67.8-13.2170.530.3-36000112.7L196P194-L196 PolarHBondContact O-N 3.04Å
195E87.3Confident92.9Very high92 Ų9258.4 Ų58.443%0.4332%0.316SS..SBendtrans-63.4133.4175.1-67.9177.7-155.600111.1S193 L197 L203 Q205S193-E195 PolarHBondContact O-N 3.14Å; S193-E195 WeakPolarHBondContact OG-CB 3.37Å; S193-E195 PolarHBondContact OG-N 3.44Å; E195-L197 PolarHBondContact O-N 3.34Å; E195-L203 HydrophobicContact CB-CD1 4.22Å; E195-L203 HydrophobicContact CB-CD2 4.11Å; E195-L203 WeakPolarHBondContact OE2-CD2 3.36Å; E195-Q205 PolarHBondContact OE1-NE2 3.43Å; E195-Q205 PolarHBondContact OE2-NE2 2.54Å
196L86.1Confident93.1Very high147 Ų14758 Ų5877%0.7731%0.314SS*.PPolyproline II helixtrans-72.2122.6178.1-72172.2000110.3P194 T198P194-L196 PolarHBondContact O-N 3.04Å; L196-T198 HydrophobicContact CB-CG2 4.47Å; L196-T198 PolarHBondContact O-N 2.6Å
197L89.8Confident93.2Very high27 Ų2758.3 Ų58.314%0.14131%0.314CS..PPolyproline II helixtrans-68.1116.7171.6-169.767.2000109.1E195 L203 E222 L224E195-L197 PolarHBondContact O-N 3.34Å; L197-L203 HydrophobicContact CB-CD1 4.13Å; L197-L203 HydrophobicContact CD1-CB 4.46Å; L197-L203 HydrophobicContact CD1-CD1 3.79Å; L197-L203 HydrophobicContact CD1-CG 3.79Å; L197-E222 HydrophobicContact CD1-CB 4.05Å; L197-E222 WeakPolarHBondContact CD1-O 3.4Å; L197-L224 HydrophobicContact CD2-CD1 4.43Å; L197-L224 HydrophobicContact CD2-CD2 4.05Å; L197-L224 HydrophobicContact CD2-CG 3.8Å; L197-L224 HydrophobicContact CG-CD1 4.19Å; L197-L224 HydrophobicContact CG-CG 3.9Å
198T91.6Very high93.3Very high68 Ų6853.8 Ų53.842%0.41730%0.297SS..  trans-125152.8-175.143.90000110.6L196 G200 T201L196-T198 HydrophobicContact CB-CG2 4.47Å; L196-T198 PolarHBondContact O-N 2.6Å; T198-G200 PolarHBondContact O-N 2.96Å; T198-T201 PolarHBondContact N-OG1 3.34Å; T198-T201 PolarHBondContact O-N 2.88Å; T198-T201 VanDerWaalsContact O-N 3.14Å; T198-T201 PolarHBondContact O-OG1 3.43Å; T198-T201 WeakPolarHBondContact OG1-CG2 3.23Å; T198-T201 PolarHBondContact OG1-OG1 2.87Å
199L92.5Very high93.3Very high117 Ų11756.2 Ų56.261%0.61331%0.308SS*.THydrogen-bonded Turntrans-60.7130.8-179.8-172.864.6000110.4T201 L224L199-T201 VanDerWaalsContact C-N 3.33Å; L199-L224 HydrophobicContact CD1-CB 4.19Å; L199-L224 WeakPolarHBondContact CD1-O 3.32Å
200G88.3Confident93.2Very high65 Ų6555.5 Ų55.567%0.6731%0.305SS*.THydrogen-bonded Turntrans85-1.5-179.200000115.1T198T198-G200 PolarHBondContact O-N 2.96Å
201T92.3Very high93.1Very high55 Ų5559.4 Ų59.434%0.33733%0.327SS..  trans-104.2152.7171.565.80000111.2T198 L199T198-T201 PolarHBondContact N-OG1 3.34Å; T198-T201 PolarHBondContact O-N 2.88Å; T198-T201 VanDerWaalsContact O-N 3.14Å; T198-T201 PolarHBondContact O-OG1 3.43Å; T198-T201 WeakPolarHBondContact OG1-CG2 3.23Å; T198-T201 PolarHBondContact OG1-OG1 2.87Å; L199-T201 VanDerWaalsContact C-N 3.33Å
202V96.2Very high93Very high30 Ų3065.8 Ų65.818%0.18236%0.357CS..EExtended strand (participates in β ladder)trans-124.2117.5173.8-172.40000108.1E221 E222 P249 A251V202-E221 HydrophobicContact CG1-CB 3.84Å; V202-E221 HydrophobicContact CG1-CG 4.41Å; V202-E222 CarbonylContact C-O 3.53Å; V202-E222 VanDerWaalsContact CA-O 3.3Å; V202-E222 WeakPolarHBondContact CA-O 3.37Å; V202-P249 HydrophobicContact CB-CB 3.93Å; V202-P249 HydrophobicContact CG1-CB 3.62Å; V202-A251 HydrophobicContact CG2-CB 4.2Å
203L95.6Very high93.1Very high9 Ų970.4 Ų70.45%0.04738%0.377CS..EExtended strand (participates in β ladder)trans-90.2146.7177.4-57.3-176000110.2E195 L197 E221 E222E195-L203 HydrophobicContact CB-CD1 4.22Å; E195-L203 HydrophobicContact CB-CD2 4.11Å; E195-L203 WeakPolarHBondContact OE2-CD2 3.36Å; L197-L203 HydrophobicContact CB-CD1 4.13Å; L197-L203 HydrophobicContact CD1-CB 4.46Å; L197-L203 HydrophobicContact CD1-CD1 3.79Å; L197-L203 HydrophobicContact CD1-CG 3.79Å; L203-E221 CarbonylContact O-C 3.54Å; L203-E221 VanDerWaalsContact O-CA 3.27Å; L203-E221 WeakPolarHBondContact O-CA 3.07Å; L203-E222 HydrophobicContact CB-CB 4.35Å; L203-E222 PolarHBondContact N-O 2.9Å; L203-E222 PolarHBondContact O-N 2.84Å
204R95.1Very high93.4Very high61 Ų6173 Ų7323%0.2339%0.394CS..  trans-133.68.5177.6-160.2-177-89.2-177.7-4.4113.7V219 F220 E221 P247 P249R204-V219 VanDerWaalsContact CD-CG1 3.44Å; R204-V219 HydrophobicContact CG-CG1 3.34Å; R204-F220 VanDerWaalsContact CA-O 3.32Å; R204-F220 WeakPolarHBondContact CA-O 3.43Å; R204-E221 IonicContact CZ-OE1 3.26Å; R204-E221 IonicContact NE-OE1 3.27Å; R204-E221 IonicContact NH2-OE1 3.87Å; R204-E221 PolarHBondContact NH2-OE1 3.04Å; R204-P247 VanDerWaalsContact CZ-O 3.25Å; R204-P247 PolarHBondContact NH1-O 2.88Å; R204-P247 PolarHBondContact NH2-O 3.33Å; R204-P249 VanDerWaalsContact NH2-N 3.11Å
205Q95Very high94Very high82 Ų8269.3 Ų69.338%0.38337%0.365SS..  trans-90.1-11.4-171.7-60.288.7-26.800112.7E195 K207E195-Q205 PolarHBondContact OE1-NE2 3.43Å; E195-Q205 PolarHBondContact OE2-NE2 2.54Å; Q205-K207 PolarHBondContact O-N 2.72Å
206T96.6Very high94.2Very high2 Ų270.4 Ų70.41%0.01237%0.374CS..  trans-63.9133.2176.4-72.70000110.9L169 F190 H191 L192 S193 E222L169-T206 HydrophobicContact CD1-CG2 3.86Å; L169-T206 HydrophobicContact CD2-CG2 4.05Å; F190-T206 HydrophobicContact CD1-CG2 3.85Å; H191-T206 WeakPolarHBondContact O-CA 3.49Å; L192-T206 HydrophobicContact CD2-CG2 4.14Å; S193-T206 PolarHBondContact N-OG1 3.47Å; T206-E222 WeakPolarHBondContact CB-OE2 3.44Å; T206-E222 PolarHBondContact OG1-OE2 3.47Å
207K97.2Very high94.5Very high100 Ų10069.3 Ų69.344%0.43537%0.368SS..EExtended strand (participates in β ladder)trans-111.9155.9-178.8-63.2-61.9-172.3163.70110.6F190 H191 Q205 D216F190-K207 WeakPolarHBondContact CA-O 3.4Å; H191-K207 HydrophobicContact CB-CB 4.44Å; H191-K207 PolarHBondContact N-O 3.33Å; H191-K207 PolarHBondContact O-N 2.91Å; Q205-K207 PolarHBondContact O-N 2.72Å; K207-D216 IonicContact NZ-OD1 4Å
208M97.6Very high94.7Very high3 Ų369 Ų692%0.01537%0.365CS..EExtended strand (participates in β ladder)trans-124.9138.2176.1-173.1-173.169.500109.3F173 A188 E189 F190 L210 E215 W218 F220F173-M208 HydrophobicContact CD1-SD 4.1Å; F173-M208 HydrophobicContact CD2-CE 4.06Å; F173-M208 HydrophobicContact CD2-SD 3.96Å; F173-M208 HydrophobicContact CE1-SD 4.24Å; F173-M208 HydrophobicContact CE2-CE 3.7Å; F173-M208 HydrophobicContact CE2-SD 4.1Å; F173-M208 HydrophobicContact CG-SD 3.96Å; F173-M208 HydrophobicContact CZ-CE 3.95Å; F173-M208 HydrophobicContact CZ-SD 4.24Å; A188-M208 HydrophobicContact CB-CG 4.44Å; A188-M208 HydrophobicContact CB-SD 4.06Å; E189-M208 CarbonylContact O-C 3.52Å; E189-M208 VanDerWaalsContact O-CA 3.32Å; E189-M208 WeakPolarHBondContact O-CA 3.39Å; F190-M208 HydrophobicContact CD1-CB 4.15Å; F190-M208 HydrophobicContact CD1-CG 4.38Å; F190-M208 HydrophobicContact CE1-CB 3.9Å; F190-M208 HydrophobicContact CE1-CG 4.02Å; F190-M208 HydrophobicContact CE1-SD 4.24Å; F190-M208 HydrophobicContact CE2-CG 4.13Å; F190-M208 HydrophobicContact CE2-SD 4.12Å; F190-M208 HydrophobicContact CZ-CB 4.28Å; F190-M208 HydrophobicContact CZ-CG 3.89Å; F190-M208 HydrophobicContact CZ-SD 3.68Å; M208-L210 HydrophobicContact CE-CB 4.42Å; M208-E215 HydrophobicContact CE-CB 3.61Å; M208-E215 HydrophobicContact CE-CG 3.77Å; M208-E215 PolarHBondContact O-N 3.03Å; M208-W218 HydrophobicContact CE-CB 4.25Å; M208-W218 HydrophobicContact CE-CG 4.06Å; M208-F220 HydrophobicContact CB-CD2 4.48Å; M208-F220 HydrophobicContact CB-CE2 3.53Å; M208-F220 HydrophobicContact CB-CZ 3.92Å; M208-F220 HydrophobicContact CE-CZ 4.24Å; M208-F220 HydrophobicContact CG-CE2 4.45Å; M208-F220 HydrophobicContact CG-CZ 4.37Å; M208-F220 HydrophobicContact SD-CE2 4.31Å; M208-F220 HydrophobicContact SD-CZ 3.71Å
209H98Very high95Very high52 Ų5267.3 Ų67.324%0.24136%0.355CS..EExtended strand (participates in β ladder)trans-105.9137.9161.9-67.9-166.9000108.7A188 E189 H191 E213A188-H209 CarbonylContact C-O 3.43Å; A188-H209 WeakPolarHBondContact CA-O 3.13Å; E189-H209 HydrophobicContact CB-CB 4.45Å; E189-H209 PolarHBondContact N-O 3Å; E189-H209 PolarHBondContact O-N 3.5Å; H191-H209 AromaticContact CD2-CD2 3.74Å; H191-H209 AromaticContact CD2-NE2 3.84Å; H191-H209 AromaticContact NE2-CD2 3.77Å; H191-H209 AromaticContact NE2-CE1 3.62Å; H191-H209 AromaticContact NE2-CG 3.67Å; H191-H209 AromaticContact NE2-ND1 3.58Å; H191-H209 AromaticContact NE2-NE2 3.76Å; H209-E213 CarbonylContact C-O 3.56Å; H209-E213 WeakPolarHBondContact CA-O 3.48Å
210L96.8Very high95.2Very high31 Ų3161.8 Ų61.816%0.16233%0.326CS..EExtended strand (participates in β ladder)trans-116.3121.4173.2-17866.5000108.8F183 R187 A188 M208 E212 E213 E215F183-L210 HydrophobicContact CE2-CD1 4.49Å; F183-L210 HydrophobicContact CZ-CD1 3.88Å; R187-L210 HydrophobicContact CB-CD1 4.08Å; R187-L210 CarbonylContact O-C 3.58Å; R187-L210 WeakPolarHBondContact O-CA 3.49Å; A188-L210 HydrophobicContact CB-CD1 4.48Å; M208-L210 HydrophobicContact CE-CB 4.42Å; L210-E212 VanDerWaalsContact C-N 3.25Å; L210-E212 PolarHBondContact O-N 2.8Å; L210-E213 PolarHBondContact N-O 2.61Å; L210-E213 PolarHBondContact O-N 2.84Å; L210-E213 VanDerWaalsContact O-N 3.13Å; L210-E215 HydrophobicContact CB-CG 3.45Å; L210-E215 VanDerWaalsContact CB-CG 3.45Å; L210-E215 HydrophobicContact CD2-CG 4.45Å
211D96.4Very high95.6Very high83 Ų8358.9 Ų58.944%0.44430%0.295SS..THydrogen-bonded Turntrans5246.1-175.2-57.1-44.7000112.1R187 E213R187-D211 WeakPolarHBondContact CB-OD1 3.44Å; R187-D211 WeakPolarHBondContact CG-OD1 3.48Å; R187-D211 IonicContact CZ-OD1 2.7Å; R187-D211 IonicContact CZ-OD2 3.4Å; R187-D211 IonicContact NE-OD1 3.67Å; R187-D211 PolarHBondContact NE-OD1 2.84Å; R187-D211 IonicContact NE-OD2 3.51Å; R187-D211 PolarHBondContact NE-OD2 3Å; R187-D211 IonicContact NH2-OD1 3.87Å; R187-D211 IonicContact NH2-OD2 3.19Å; R187-D211 PolarHBondContact NH2-OD2 2.85Å; R187-D211 PolarHBondContact O-N 3.05Å; D211-E213 PolarHBondContact O-N 3.32Å
212E94.8Very high95.9Very high179 Ų17956.4 Ų56.484%0.83628%0.28SS*.THydrogen-bonded Turntrans72-4.3-179.4-53.7176.1-166.400115.7L210L210-E212 VanDerWaalsContact C-N 3.25Å; L210-E212 PolarHBondContact O-N 2.8Å
213E96.4Very high96Very high133 Ų13355.4 Ų55.462%0.62127%0.274SS*.EExtended strand (participates in β ladder)trans-99.8138.6179.4-66.5-63.715300112.5H209 L210 D211 E215H209-E213 CarbonylContact C-O 3.56Å; H209-E213 WeakPolarHBondContact CA-O 3.48Å; L210-E213 PolarHBondContact N-O 2.61Å; L210-E213 PolarHBondContact O-N 2.84Å; L210-E213 VanDerWaalsContact O-N 3.13Å; D211-E213 PolarHBondContact O-N 3.32Å; E213-E215 PolarHBondContact O-N 2.85Å
214P95.8Very high96Very high68 Ų6856.2 Ų56.244%0.44228%0.278SS..EExtended strand (participates in β ladder)trans-61.8130.5176.4-21.332.1000113.3
215E94.6Very high96.1Very high52 Ų5254 Ų5424%0.24327%0.271CS..  trans-104.478.8177.3-78.8-68.5167.600111.4M208 L210 E213 L217 W218M208-E215 HydrophobicContact CE-CB 3.61Å; M208-E215 HydrophobicContact CE-CG 3.77Å; M208-E215 PolarHBondContact O-N 3.03Å; L210-E215 HydrophobicContact CB-CG 3.45Å; L210-E215 VanDerWaalsContact CB-CG 3.45Å; L210-E215 HydrophobicContact CD2-CG 4.45Å; E213-E215 PolarHBondContact O-N 2.85Å; E215-L217 PolarHBondContact O-N 2.76Å; E215-W218 PolarHBondContact O-N 3.48Å
216D91Very high96.2Very high115 Ų11551.6 Ų51.662%0.61526%0.26SS*.THydrogen-bonded Turntrans-71.9-15.9-176.1-76.2-43.5000114.5K207 W218K207-D216 IonicContact NZ-OD1 4Å; D216-W218 VanDerWaalsContact C-N 3.27Å
217L92.6Very high96Very high123 Ų12355.4 Ų55.464%0.64429%0.292SS*.THydrogen-bonded Turntrans-77-16.8176.1-61.2-179.5000112.6E215 P237E215-L217 PolarHBondContact O-N 2.76Å; L217-P237 HydrophobicContact CB-CG 4.14Å; L217-P237 HydrophobicContact CD1-CG 4.21Å
218W95.2Very high95.8Very high20 Ų2053.6 Ų53.68%0.07629%0.287CS..  trans-94.1132.4177.4-76.390000111.4F173 A176 I177 M208 E215 D216 F220 A234 L235F173-W218 AromaticContact CD2-CD2 3.9Å; F173-W218 HydrophobicContact CD2-CD2 3.9Å; F173-W218 AromaticContact CD2-CE2 3.95Å; F173-W218 AromaticContact CD2-CE3 3.88Å; F173-W218 HydrophobicContact CD2-CE3 3.88Å; F173-W218 HydrophobicContact CD2-CH2 4Å; F173-W218 HydrophobicContact CD2-CZ2 4.01Å; F173-W218 AromaticContact CD2-CZ3 3.94Å; F173-W218 HydrophobicContact CD2-CZ3 3.94Å; F173-W218 AromaticContact CE2-CD2 3.86Å; F173-W218 HydrophobicContact CE2-CD2 3.86Å; F173-W218 AromaticContact CE2-CE2 3.5Å; F173-W218 HydrophobicContact CE2-CE3 4.29Å; F173-W218 HydrophobicContact CE2-CG 4.41Å; F173-W218 HydrophobicContact CE2-CH2 4.1Å; F173-W218 AromaticContact CE2-CZ2 3.64Å; F173-W218 HydrophobicContact CE2-CZ2 3.64Å; F173-W218 HydrophobicContact CE2-CZ3 4.4Å; F173-W218 AromaticContact CE2-NE1 3.83Å; A176-W218 HydrophobicContact CB-CH2 3.5Å; A176-W218 HydrophobicContact CB-CZ3 3.53Å; I177-W218 HydrophobicContact CG2-CH2 3.71Å; I177-W218 HydrophobicContact CG2-CZ2 3.53Å; M208-W218 HydrophobicContact CE-CB 4.25Å; M208-W218 HydrophobicContact CE-CG 4.06Å; E215-W218 PolarHBondContact O-N 3.48Å; D216-W218 VanDerWaalsContact C-N 3.27Å; W218-F220 HydrophobicContact CB-CE2 3.67Å; W218-F220 HydrophobicContact CB-CZ 3.82Å; W218-F220 HydrophobicContact CE3-CZ 4.34Å; W218-F220 HydrophobicContact CG-CZ 4.42Å; W218-A234 HydrophobicContact CE3-CB 4.08Å; W218-A234 HydrophobicContact CZ3-CB 3.87Å; W218-L235 WeakPolarHBondContact CA-O 3.29Å
219V96.2Very high95.8Very high34 Ų3453.5 Ų53.521%0.20629%0.287CS..EExtended strand (participates in β ladder)trans-122132.9178174.80000108.7R204 L235 L246R204-V219 VanDerWaalsContact CD-CG1 3.44Å; R204-V219 HydrophobicContact CG-CG1 3.34Å; V219-L235 HydrophobicContact CB-CB 4.32Å; V219-L235 PolarHBondContact N-O 3.36Å; V219-L235 PolarHBondContact O-N 3.06Å; V219-L246 HydrophobicContact CB-CD1 3.78Å; V219-L246 HydrophobicContact CG1-CD1 3.96Å; V219-L246 HydrophobicContact CG2-CD1 3.77Å
220F97.4Very high95.8Very high0 Ų051.9 Ų51.90%028%0.279CS..EExtended strand (participates in β ladder)trans-117.6123.7-177.7-61-83.5000110.1L169 F173 F190 R204 M208 W218 V233 A234L169-F220 HydrophobicContact CD2-CB 3.79Å; L169-F220 HydrophobicContact CD2-CD1 4Å; L169-F220 HydrophobicContact CD2-CG 4.05Å; F173-F220 HydrophobicContact CB-CE1 4.12Å; F173-F220 HydrophobicContact CD2-CZ 4.5Å; F190-F220 AromaticContact CE1-CD1 3.69Å; F190-F220 HydrophobicContact CE1-CD1 3.69Å; F190-F220 AromaticContact CE1-CD2 3.89Å; F190-F220 HydrophobicContact CE1-CD2 3.89Å; F190-F220 AromaticContact CE1-CE1 3.47Å; F190-F220 HydrophobicContact CE1-CE1 3.47Å; F190-F220 VanDerWaalsContact CE1-CE1 3.47Å; F190-F220 AromaticContact CE1-CE2 3.69Å; F190-F220 HydrophobicContact CE1-CE2 3.69Å; F190-F220 AromaticContact CE1-CG 3.89Å; F190-F220 HydrophobicContact CE1-CG 3.89Å; F190-F220 AromaticContact CE1-CZ 3.47Å; F190-F220 HydrophobicContact CE1-CZ 3.47Å; F190-F220 VanDerWaalsContact CE1-CZ 3.47Å; F190-F220 HydrophobicContact CZ-CD1 4.23Å; F190-F220 AromaticContact CZ-CE1 3.64Å; F190-F220 HydrophobicContact CZ-CE1 3.64Å; F190-F220 HydrophobicContact CZ-CE2 4.38Å; F190-F220 AromaticContact CZ-CZ 3.73Å; F190-F220 HydrophobicContact CZ-CZ 3.73Å; R204-F220 VanDerWaalsContact CA-O 3.32Å; R204-F220 WeakPolarHBondContact CA-O 3.43Å; M208-F220 HydrophobicContact CB-CD2 4.48Å; M208-F220 HydrophobicContact CB-CE2 3.53Å; M208-F220 HydrophobicContact CB-CZ 3.92Å; M208-F220 HydrophobicContact CE-CZ 4.24Å; M208-F220 HydrophobicContact CG-CE2 4.45Å; M208-F220 HydrophobicContact CG-CZ 4.37Å; M208-F220 HydrophobicContact SD-CE2 4.31Å; M208-F220 HydrophobicContact SD-CZ 3.71Å; W218-F220 HydrophobicContact CB-CE2 3.67Å; W218-F220 HydrophobicContact CB-CZ 3.82Å; W218-F220 HydrophobicContact CE3-CZ 4.34Å; W218-F220 HydrophobicContact CG-CZ 4.42Å; F220-V233 CarbonylContact C-O 3.59Å; F220-V233 WeakPolarHBondContact CA-O 3.35Å; F220-A234 HydrophobicContact CD1-CB 3.84Å; F220-A234 HydrophobicContact CE1-CB 3.58Å
221E97.7Very high95.9Very high5 Ų550.6 Ų50.62%0.02327%0.273CS..EExtended strand (participates in β ladder)trans-99.7124.2171.3-59.1175.8160.600109.4R5 V202 L203 R204 A232 V233 L235 P249R5-E221 IonicContact CZ-OE2 3.72Å; R5-E221 VanDerWaalsContact CZ-OE2 3.23Å; R5-E221 IonicContact NE-OE2 2.75Å; R5-E221 PolarHBondContact NE-OE2 2.96Å; R5-E221 IonicContact NH2-OE1 3.07Å; R5-E221 PolarHBondContact NH2-OE1 3.08Å; R5-E221 IonicContact NH2-OE2 3.84Å; R5-E221 PolarHBondContact NH2-OE2 3.43Å; V202-E221 HydrophobicContact CG1-CB 3.84Å; V202-E221 HydrophobicContact CG1-CG 4.41Å; L203-E221 CarbonylContact O-C 3.54Å; L203-E221 VanDerWaalsContact O-CA 3.27Å; L203-E221 WeakPolarHBondContact O-CA 3.07Å; R204-E221 IonicContact CZ-OE1 3.26Å; R204-E221 IonicContact NE-OE1 3.27Å; R204-E221 IonicContact NH2-OE1 3.87Å; R204-E221 PolarHBondContact NH2-OE1 3.04Å; E221-A232 CarbonylContact O-C 3.57Å; E221-A232 VanDerWaalsContact O-CA 3.29Å; E221-A232 WeakPolarHBondContact O-CA 3.03Å; E221-V233 HydrophobicContact CB-CB 4.18Å; E221-V233 PolarHBondContact N-O 3.36Å; E221-V233 PolarHBondContact O-N 3.38Å; E221-L235 HydrophobicContact CG-CD1 4.39Å; E221-P249 HydrophobicContact CG-CB 4.4Å
222E97.9Very high96Very high3 Ų346.7 Ų46.71%0.01425%0.252CS..EExtended strand (participates in β ladder)trans-114.9135.2179.2-56.8178.288.200110.1R165 L169 L197 V202 L203 T206 V231R165-E222 WeakPolarHBondContact CG-OE1 3.31Å; R165-E222 IonicContact CZ-OE1 2.87Å; R165-E222 IonicContact CZ-OE2 2.72Å; R165-E222 IonicContact NE-OE1 3.67Å; R165-E222 PolarHBondContact NE-OE1 3.29Å; R165-E222 IonicContact NE-OE2 2.7Å; R165-E222 IonicContact NH2-OE1 2.66Å; R165-E222 PolarHBondContact NH2-OE1 3.06Å; R165-E222 IonicContact NH2-OE2 3.37Å; R165-E222 PolarHBondContact NH2-OE2 3.41Å; L169-E222 HydrophobicContact CD2-CG 3.91Å; L197-E222 HydrophobicContact CD1-CB 4.05Å; L197-E222 WeakPolarHBondContact CD1-O 3.4Å; V202-E222 CarbonylContact C-O 3.53Å; V202-E222 VanDerWaalsContact CA-O 3.3Å; V202-E222 WeakPolarHBondContact CA-O 3.37Å; L203-E222 HydrophobicContact CB-CB 4.35Å; L203-E222 PolarHBondContact N-O 2.9Å; L203-E222 PolarHBondContact O-N 2.84Å; T206-E222 WeakPolarHBondContact CB-OE2 3.44Å; T206-E222 PolarHBondContact OG1-OE2 3.47Å; E222-V231 WeakPolarHBondContact CA-O 3.22Å
223S97.4Very high96.1Very high8 Ų838.2 Ų38.26%0.05621%0.213CC..EExtended strand (participates in β ladder)trans-149.5163.5177.159.70000111.8V231S223-V231 PolarHBondContact N-O 2.79Å; S223-V231 PolarHBondContact O-N 3.34Å
224L97.4Very high96.2Very high26 Ų2631.9 Ų31.914%0.13618%0.183CC..EExtended strand (participates in β ladder)trans-107.6134.7169.1-72.2172.8000109.4L197 L199 D226 H229 H230L197-L224 HydrophobicContact CD2-CD1 4.43Å; L197-L224 HydrophobicContact CD2-CD2 4.05Å; L197-L224 HydrophobicContact CD2-CG 3.8Å; L197-L224 HydrophobicContact CG-CD1 4.19Å; L197-L224 HydrophobicContact CG-CG 3.9Å; L199-L224 HydrophobicContact CD1-CB 4.19Å; L199-L224 WeakPolarHBondContact CD1-O 3.32Å; L224-D226 WeakPolarHBondContact CB-O 3.37Å; L224-H229 WeakPolarHBondContact CA-O 3.42Å; L224-H230 WeakPolarHBondContact CD2-ND1 3.37Å
225L97Very high96.2Very high16 Ų1628.8 Ų28.88%0.08416%0.163CC..SBendtrans-87.5-26.5169.9-59.6-179.9000112.1Y105 V107 V120 H229 V231 F252 L254Y105-L225 HydrophobicContact CD1-CB 4.47Å; Y105-L225 HydrophobicContact CD1-CD1 3.57Å; Y105-L225 HydrophobicContact CD2-CD1 3.99Å; Y105-L225 HydrophobicContact CE1-CB 4.06Å; Y105-L225 HydrophobicContact CE1-CD1 4.01Å; Y105-L225 HydrophobicContact CE2-CB 4.15Å; Y105-L225 HydrophobicContact CE2-CD1 4.4Å; Y105-L225 HydrophobicContact CG-CD1 3.53Å; V107-L225 HydrophobicContact CG1-CD1 3.71Å; V120-L225 HydrophobicContact CG2-CD1 4.32Å; L225-H229 HydrophobicContact CB-CB 4.19Å; L225-H229 PolarHBondContact N-O 2.83Å; L225-V231 HydrophobicContact CD1-CG2 3.61Å; L225-V231 HydrophobicContact CD2-CG2 4.08Å; L225-V231 HydrophobicContact CG-CG2 3.53Å; L225-F252 HydrophobicContact CD2-CB 3.62Å; L225-F252 HydrophobicContact CD2-CD2 4.27Å; L225-F252 HydrophobicContact CD2-CG 3.92Å; L225-L254 HydrophobicContact CD2-CD2 4.35Å
226D95.9Very high96.1Very high30 Ų3026.4 Ų26.416%0.1615%0.152CC..SBendtrans-161.1-164.517055.842.9000108.7Y105 L224 D228 H229Y105-D226 WeakPolarHBondContact CE2-OD2 3.34Å; Y105-D226 PolarHBondContact OH-OD2 3.34Å; L224-D226 WeakPolarHBondContact CB-O 3.37Å; D226-D228 PolarHBondContact O-N 2.86Å; D226-D228 PolarHBondContact OD1-N 2.82Å; D226-H229 VanDerWaalsContact CG-ND1 3.26Å; D226-H229 IonicContact OD1-CE1 2.69Å; D226-H229 IonicContact OD1-CG 3.57Å; D226-H229 PolarHBondContact OD1-N 3.06Å; D226-H229 IonicContact OD1-ND1 3.55Å; D226-H229 PolarHBondContact OD1-ND1 3.14Å; D226-H229 IonicContact OD2-CE1 3.84Å; D226-H229 IonicContact OD2-CG 3.69Å; D226-H229 IonicContact OD2-ND1 3.61Å; D226-H229 PolarHBondContact OD2-ND1 3.23Å; D226-H229 VanDerWaalsContact OD2-ND1 3.07Å
227A92.8Very high96Very high83 Ų8323.7 Ų23.769%0.68614%0.141SC*.SBendtrans-62.9-25.6-177.700000114.1
228D93.9Very high95.2Very high61 Ų6119 Ų1933%0.32612%0.119SC..SBendtrans-114.4-12.4-170.5-63.2-44.1000113.3K122 T123 D226K122-D228 CarbonylContact C-O 3.53Å; K122-D228 VanDerWaalsContact CA-O 3.28Å; K122-D228 WeakPolarHBondContact CA-O 3.39Å; K122-D228 HydrophobicContact CG-CB 4.08Å; T123-D228 PolarHBondContact N-O 2.79Å; D226-D228 PolarHBondContact O-N 2.86Å; D226-D228 PolarHBondContact OD1-N 2.82Å
229H97.3Very high93.6Very high1 Ų125.7 Ų25.71%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-109.9111-173.8-64.385.2000112.8D104 Y105 M121 K122 L224 L225 D226D104-H229 PolarHBondContact N-NE2 3.32Å; D104-H229 IonicContact OD2-CE1 2.99Å; D104-H229 PolarHBondContact OD2-CE1 3.13Å; D104-H229 VanDerWaalsContact OD2-CE1 3.29Å; D104-H229 IonicContact OD2-NE2 3.62Å; Y105-H229 HydrophobicContact CD2-CB 4.18Å; Y105-H229 AromaticContact CD2-CD2 3.57Å; Y105-H229 AromaticContact CD2-CE1 3.97Å; Y105-H229 AromaticContact CD2-CG 3.66Å; Y105-H229 AromaticContact CD2-ND1 3.94Å; Y105-H229 AromaticContact CD2-NE2 3.78Å; Y105-H229 HydrophobicContact CE2-CB 4.15Å; Y105-H229 AromaticContact CE2-CD2 3.98Å; Y105-H229 AromaticContact CE2-CE1 3.75Å; Y105-H229 AromaticContact CE2-CG 3.66Å; Y105-H229 AromaticContact CE2-ND1 3.53Å; M121-H229 CarbonylContact O-C 3.52Å; M121-H229 WeakPolarHBondContact O-CA 3.27Å; K122-H229 WeakPolarHBondContact CD-NE2 3.43Å; K122-H229 WeakPolarHBondContact CG-NE2 3.35Å; L224-H229 WeakPolarHBondContact CA-O 3.42Å; L225-H229 HydrophobicContact CB-CB 4.19Å; L225-H229 PolarHBondContact N-O 2.83Å; D226-H229 VanDerWaalsContact CG-ND1 3.26Å; D226-H229 IonicContact OD1-CE1 2.69Å; D226-H229 IonicContact OD1-CG 3.57Å; D226-H229 PolarHBondContact OD1-N 3.06Å; D226-H229 IonicContact OD1-ND1 3.55Å; D226-H229 PolarHBondContact OD1-ND1 3.14Å; D226-H229 IonicContact OD2-CE1 3.84Å; D226-H229 IonicContact OD2-CG 3.69Å; D226-H229 IonicContact OD2-ND1 3.61Å; D226-H229 PolarHBondContact OD2-ND1 3.23Å; D226-H229 VanDerWaalsContact OD2-ND1 3.07Å
230H97.1Very high91.7Very high18 Ų1831.7 Ų31.78%0.08318%0.183CC..EExtended strand (participates in β ladder)trans-89.7139.2173.1-64.6-93.6000110.5V120 M121 T123 L224V120-H230 CarbonylContact C-O 3.58Å; V120-H230 VanDerWaalsContact CA-O 3.25Å; V120-H230 WeakPolarHBondContact CA-O 3.48Å; M121-H230 PolarHBondContact N-O 2.65Å; M121-H230 PolarHBondContact O-N 2.76Å; T123-H230 PolarHBondContact OG1-CD2 2.91Å; T123-H230 VanDerWaalsContact OG1-CD2 3.31Å; T123-H230 PolarHBondContact OG1-NE2 3.47Å; L224-H230 WeakPolarHBondContact CD2-ND1 3.37Å
231V98.3Very high89.5Confident4 Ų436.3 Ų36.32%0.02422%0.221CC..EExtended strand (participates in β ladder)trans-128.3133.7173.6-175.50000109.2V107 V118 D119 V120 E222 S223 L225 F252V107-V231 HydrophobicContact CG1-CG2 4.37Å; V118-V231 HydrophobicContact CG2-CG1 3.88Å; D119-V231 VanDerWaalsContact O-CA 3.3Å; D119-V231 WeakPolarHBondContact O-CA 3.22Å; D119-V231 WeakPolarHBondContact O-CG1 3.28Å; V120-V231 HydrophobicContact CB-CG2 4Å; V120-V231 HydrophobicContact CG2-CG2 3.75Å; E222-V231 WeakPolarHBondContact CA-O 3.22Å; S223-V231 PolarHBondContact N-O 2.79Å; S223-V231 PolarHBondContact O-N 3.34Å; L225-V231 HydrophobicContact CD1-CG2 3.61Å; L225-V231 HydrophobicContact CD2-CG2 4.08Å; L225-V231 HydrophobicContact CG-CG2 3.53Å; V231-F252 HydrophobicContact CB-CE2 4.21Å; V231-F252 HydrophobicContact CG1-CD2 4.25Å; V231-F252 HydrophobicContact CG1-CE1 4.44Å; V231-F252 HydrophobicContact CG1-CE2 3.41Å; V231-F252 VanDerWaalsContact CG1-CE2 3.41Å; V231-F252 HydrophobicContact CG1-CZ 3.53Å
232A98.4Very high87.4Confident2 Ų238.5 Ų38.52%0.01724%0.237CC..EExtended strand (participates in β ladder)trans-122.5135.717100000110.1V118 D119 T168 L169 S172 E221V118-A232 WeakPolarHBondContact CA-O 3.45Å; D119-A232 PolarHBondContact N-O 3.02Å; D119-A232 PolarHBondContact O-N 3.45Å; T168-A232 HydrophobicContact CG2-CB 3.7Å; T168-A232 VanDerWaalsContact CG2-N 3.34Å; L169-A232 HydrophobicContact CD2-CB 4.04Å; L169-A232 HydrophobicContact CG-CB 4.24Å; S172-A232 VanDerWaalsContact CB-O 3.31Å; S172-A232 WeakPolarHBondContact CB-O 3.3Å; E221-A232 CarbonylContact O-C 3.57Å; E221-A232 VanDerWaalsContact O-CA 3.29Å; E221-A232 WeakPolarHBondContact O-CA 3.03Å
233V98.4Very high85.5Confident1 Ų144.4 Ų44.41%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-117117.6171.4-175.60000108.3A109 V116 G117 V118 F220 E221 L235 F252A109-V233 HydrophobicContact CB-CG1 3.86Å; A109-V233 HydrophobicContact CB-CG2 4.03Å; V116-V233 HydrophobicContact CG2-CG1 3.68Å; G117-V233 CarbonylContact O-C 3.51Å; G117-V233 VanDerWaalsContact O-CA 3.3Å; G117-V233 WeakPolarHBondContact O-CA 3.3Å; V118-V233 HydrophobicContact CB-CG2 4.36Å; V118-V233 HydrophobicContact CG2-CG2 3.94Å; F220-V233 CarbonylContact C-O 3.59Å; F220-V233 WeakPolarHBondContact CA-O 3.35Å; E221-V233 HydrophobicContact CB-CB 4.18Å; E221-V233 PolarHBondContact N-O 3.36Å; E221-V233 PolarHBondContact O-N 3.38Å; V233-L235 HydrophobicContact CG1-CD2 4.01Å; V233-L235 HydrophobicContact CG1-CG 4.3Å; V233-F252 HydrophobicContact CG2-CE2 4.01Å; V233-F252 HydrophobicContact CG2-CZ 3.89Å
234A97.7Very high84.1Confident0 Ų046.3 Ų46.30%030%0.295CS..EExtended strand (participates in β ladder)trans-91.3128.9172.100000109.6V116 G117 F173 A176 W218 F220V116-A234 VanDerWaalsContact CA-O 3.32Å; V116-A234 WeakPolarHBondContact CA-O 3.35Å; G117-A234 PolarHBondContact N-O 3.1Å; G117-A234 PolarHBondContact O-N 3.37Å; F173-A234 HydrophobicContact CB-CB 4.49Å; A176-A234 HydrophobicContact CB-CB 4.25Å; W218-A234 HydrophobicContact CE3-CB 4.08Å; W218-A234 HydrophobicContact CZ3-CB 3.87Å; F220-A234 HydrophobicContact CD1-CB 3.84Å; F220-A234 HydrophobicContact CE1-CB 3.58Å
235L95.8Very high83.1Confident3 Ų350.7 Ų50.72%0.01633%0.325CS..EExtended strand (participates in β ladder)trans-120.1121.8176.3-58172.5000108Q111 V114 Q115 V116 W218 V219 E221 V233 L246Q111-L235 HydrophobicContact CB-CD2 4.13Å; Q111-L235 HydrophobicContact CG-CD2 4.24Å; V114-L235 HydrophobicContact CG2-CD2 4.19Å; Q115-L235 WeakPolarHBondContact O-CA 3.49Å; V116-L235 HydrophobicContact CB-CD2 4.19Å; V116-L235 HydrophobicContact CG2-CD2 3.83Å; W218-L235 WeakPolarHBondContact CA-O 3.29Å; V219-L235 HydrophobicContact CB-CB 4.32Å; V219-L235 PolarHBondContact N-O 3.36Å; V219-L235 PolarHBondContact O-N 3.06Å; E221-L235 HydrophobicContact CG-CD1 4.39Å; V233-L235 HydrophobicContact CG1-CD2 4.01Å; V233-L235 HydrophobicContact CG1-CG 4.3Å; L235-L246 HydrophobicContact CB-CD1 4.22Å; L235-L246 HydrophobicContact CD1-CD1 3.96Å; L235-L246 HydrophobicContact CD1-CD2 4.26Å
236G93.2Very high82.4Confident2 Ų252.1 Ų52.12%0.02133%0.332CS..EExtended strand (participates in β ladder)trans-134.9169.2-175.500000112.6V114 Q115 A238V114-G236 WeakPolarHBondContact CB-O 3.46Å; Q115-G236 PolarHBondContact N-O 2.97Å; Q115-G236 PolarHBondContact O-N 2.97Å; Q115-G236 VanDerWaalsContact O-N 3.12Å; G236-A238 PolarHBondContact O-N 2.85Å
237P87.9Confident81.8Confident57 Ų5752.3 Ų52.337%0.3734%0.335SS..EExtended strand (participates in β ladder)trans-57.4136.5-178.124.9-33000111.1Q115 L217Q115-P237 WeakPolarHBondContact CG-O 3.24Å; L217-P237 HydrophobicContact CB-CG 4.14Å; L217-P237 HydrophobicContact CD1-CG 4.21Å
238A75.3Confident81.5Confident24 Ų2453.4 Ų53.420%0.19834%0.335CS..  trans-80.8158.3165.900000110.4G113 G236 E240G113-A238 WeakPolarHBondContact O-CB 3.29Å; G236-A238 PolarHBondContact O-N 2.85Å; A238-E240 CarbonylContact O-C 3.49Å; A238-E240 PolarHBondContact O-N 3.35Å; A238-E240 VanDerWaalsContact O-N 3.17Å
239D63.3Low81.1Confident161 Ų16153.1 Ų53.186%0.86134%0.336SS*.SBendtrans-58.9-27177.8-67.9-27.9000112.3
240E55.1Low80.6Confident160 Ų16054.7 Ų54.775%0.74835%0.35SS*.SBendtrans-99.4106.2165.8-67.4-175.217800108.6A238 S242A238-E240 CarbonylContact O-C 3.49Å; A238-E240 PolarHBondContact O-N 3.35Å; A238-E240 VanDerWaalsContact O-N 3.17Å; E240-S242 PolarHBondContact O-N 3.2Å
241A51.1Low80.4Confident98 Ų9856.6 Ų56.681%0.8137%0.369SS*.  trans-59.391.7-177.400000111.6S243A241-S243 PolarHBondContact O-N 3.01Å
242S55.1Low80.4Confident51 Ų5157.7 Ų57.736%0.35737%0.373SS..  trans-77.3113.5164.9-163.90000108.3M1 E240 A244M1-S242 WeakPolarHBondContact CE-OG 3.49Å; E240-S242 PolarHBondContact O-N 3.2Å; S242-A244 PolarHBondContact O-N 2.98Å
243S58.1Low80.4Confident126 Ų12661.4 Ų61.488%0.88140%0.396SS*.  trans-79.74.517759.40000113.4A241A241-S243 PolarHBondContact O-N 3.01Å
244A67.8Low80.3Confident48 Ų4864.9 Ų64.940%0.39741%0.414SS..SBendtrans-73.6137-17700000110.3M1 S242M1-A244 HydrophobicContact CE-CB 3.48Å; M1-A244 VanDerWaalsContact CE-CB 3.48Å; M1-A244 HydrophobicContact SD-CB 4.25Å; S242-A244 PolarHBondContact O-N 2.98Å
245P75.8Confident80.4Confident118 Ų11865.7 Ų65.777%0.76642%0.418SS*.PPolyproline II helixtrans-62.5140.8178.524.7-32.4000110.9
246L82.4Confident80.5Confident46 Ų4668.3 Ų68.324%0.24144%0.437CS..PPolyproline II helixtrans-60.3140.9174.2-74.6172.5000110.4V114 V219 L235V114-L246 HydrophobicContact CG1-CD2 4.02Å; V114-L246 HydrophobicContact CG2-CD2 4.21Å; V219-L246 HydrophobicContact CB-CD1 3.78Å; V219-L246 HydrophobicContact CG1-CD1 3.96Å; V219-L246 HydrophobicContact CG2-CD1 3.77Å; L235-L246 HydrophobicContact CB-CD1 4.22Å; L235-L246 HydrophobicContact CD1-CD1 3.96Å; L235-L246 HydrophobicContact CD1-CD2 4.26Å
247P82.9Confident80.7Confident34 Ų3469.3 Ų69.322%0.22144%0.441CS..PPolyproline II helixtrans-61.9164.7173.328.3-34.7000110.9R204R204-P247 VanDerWaalsContact CZ-O 3.25Å; R204-P247 PolarHBondContact NH1-O 2.88Å; R204-P247 PolarHBondContact NH2-O 3.33Å
248P85.8Confident81.2Confident107 Ų10768.8 Ų68.870%0.69545%0.445SS*.PPolyproline II helixtrans-52.5150.9172-24.634000112.2A250P248-A250 PolarHBondContact O-N 3.28Å
249P85.8Confident82.3Confident54 Ų5472 Ų7235%0.35146%0.456SS..PPolyproline II helixtrans-62.6137.2179.725.5-32.1000110.6V202 R204 E221V202-P249 HydrophobicContact CB-CB 3.93Å; V202-P249 HydrophobicContact CG1-CB 3.62Å; R204-P249 VanDerWaalsContact NH2-N 3.11Å; E221-P249 HydrophobicContact CG-CB 4.4Å
250A86.5Confident83.9Confident35 Ų3564.4 Ų64.429%0.28942%0.415SS..  trans-107.2132.6-177.900000110.3R5 P248R5-A250 HydrophobicContact CG-CB 3.96Å; P248-A250 PolarHBondContact O-N 3.28Å
251A94.4Very high85.8Confident58 Ų5858.2 Ų58.248%0.47939%0.387SS..  trans-68.8154.4170.500000110.8V202 T253V202-A251 HydrophobicContact CG2-CB 4.2Å; A251-T253 PolarHBondContact O-N 3.26Å
252F97.4Very high88Confident26 Ų2657.1 Ų57.111%0.11438%0.378CS..  trans-70.7125173.8-85-94.3000111.2R5 W6 V107 V118 L225 V231 V233R5-F252 HydrophobicContact CB-CD1 3.99Å; R5-F252 HydrophobicContact CB-CD2 4.22Å; R5-F252 HydrophobicContact CB-CE1 4.1Å; R5-F252 HydrophobicContact CB-CE2 4.33Å; R5-F252 HydrophobicContact CB-CG 4.04Å; R5-F252 HydrophobicContact CB-CZ 4.27Å; R5-F252 WeakPolarHBondContact O-CA 3.31Å; W6-F252 WeakPolarHBondContact O-CD1 3.21Å; V107-F252 HydrophobicContact CB-CD1 4.37Å; V107-F252 HydrophobicContact CB-CE1 3.78Å; V107-F252 HydrophobicContact CB-CZ 4.44Å; V107-F252 HydrophobicContact CG1-CD1 4.29Å; V107-F252 HydrophobicContact CG1-CE1 4.13Å; V118-F252 HydrophobicContact CG2-CZ 4.1Å; L225-F252 HydrophobicContact CD2-CB 3.62Å; L225-F252 HydrophobicContact CD2-CD2 4.27Å; L225-F252 HydrophobicContact CD2-CG 3.92Å; V231-F252 HydrophobicContact CB-CE2 4.21Å; V231-F252 HydrophobicContact CG1-CD2 4.25Å; V231-F252 HydrophobicContact CG1-CE1 4.44Å; V231-F252 HydrophobicContact CG1-CE2 3.41Å; V231-F252 VanDerWaalsContact CG1-CE2 3.41Å; V231-F252 HydrophobicContact CG1-CZ 3.53Å; V233-F252 HydrophobicContact CG2-CE2 4.01Å; V233-F252 HydrophobicContact CG2-CZ 3.89Å
253T97.7Very high89.8Confident80 Ų8056.9 Ų56.949%0.49138%0.377SS..EExtended strand (participates in β ladder)trans-82.7115.3167.3-54.70000108.9R5 W6 G7 A251 L255R5-T253 PolarHBondContact O-N 3.08Å; W6-T253 WeakPolarHBondContact CA-O 3.49Å; G7-T253 PolarHBondContact N-O 3.23Å; A251-T253 PolarHBondContact O-N 3.26Å; T253-L255 HydrophobicContact CG2-CD2 4.17Å
254L98.1Very high91.7Very high74 Ų7451.7 Ų51.739%0.38734%0.341SS..EExtended strand (participates in β ladder)trans-80.7120.4174.2-64.4-176.9000110.1G7 Y105 L225G7-L254 CarbonylContact O-C 3.58Å; G7-L254 WeakPolarHBondContact O-CA 3.44Å; Y105-L254 HydrophobicContact CD1-CD2 4.03Å; Y105-L254 HydrophobicContact CE1-CD1 4.11Å; Y105-L254 HydrophobicContact CE1-CD2 3.8Å; L225-L254 HydrophobicContact CD2-CD2 4.35Å
255L98.4Very high93Very high18 Ų1851.3 Ų51.39%0.09434%0.336CS..EExtended strand (participates in β ladder)trans-90.6141.7-179.6-54.9-179.1000111W6 G7 F8 L53 K56 T253 E259 L260W6-L255 HydrophobicContact CB-CD1 4.21Å; W6-L255 HydrophobicContact CD2-CD1 4.14Å; W6-L255 HydrophobicContact CE3-CD1 4.27Å; W6-L255 HydrophobicContact CG-CD1 4.13Å; G7-L255 PolarHBondContact O-N 3.3Å; F8-L255 VanDerWaalsContact CD2-O 3.24Å; F8-L255 WeakPolarHBondContact CD2-O 3.14Å; L53-L255 HydrophobicContact CD2-CD1 3.81Å; K56-L255 HydrophobicContact CD-CD1 3.87Å; T253-L255 HydrophobicContact CG2-CD2 4.17Å; L255-E259 HydrophobicContact CB-CB 4.3Å; L255-E259 HydrophobicContact CD2-CB 4.33Å; L255-L260 HydrophobicContact CD1-CD1 4.47Å
256S98.1Very high94Very high58 Ų5848.4 Ų48.441%0.40632%0.317SS..PPolyproline II helixtrans-74.1167.2160.466.40000111.2G258 E259 L260S256-G258 VanDerWaalsContact C-N 3.32Å; S256-G258 PolarHBondContact O-N 3.39Å; S256-E259 VanDerWaalsContact CB-OE2 3.31Å; S256-E259 WeakPolarHBondContact CB-OE2 3.48Å; S256-E259 PolarHBondContact N-OE2 2.93Å; S256-E259 PolarHBondContact O-N 2.88Å; S256-E259 WeakPolarHBondContact OG-CG 3.43Å; S256-E259 PolarHBondContact OG-N 3.44Å; S256-E259 PolarHBondContact OG-OE2 2.71Å; S256-L260 WeakPolarHBondContact O-CB 3.43Å; S256-L260 PolarHBondContact O-N 3.37Å
257F97.8Very high94.7Very high23 Ų2348.8 Ų48.810%0.10132%0.319CS..Hα-helixtrans-61.5-42.9175.6-179-107.9000111.2F8 W13 E19 A23 L52 E259 L260 I261F8-F257 HydrophobicContact CE2-CB 4.27Å; F8-F257 HydrophobicContact CZ-CB 4.5Å; W13-F257 AromaticContact CE2-CD2 3.86Å; W13-F257 HydrophobicContact CH2-CE2 4.17Å; W13-F257 AromaticContact CZ2-CD2 3.68Å; W13-F257 HydrophobicContact CZ2-CD2 3.68Å; W13-F257 AromaticContact CZ2-CE2 3.48Å; W13-F257 HydrophobicContact CZ2-CE2 3.48Å; W13-F257 VanDerWaalsContact CZ2-CE2 3.48Å; W13-F257 HydrophobicContact CZ2-CZ 4.26Å; W13-F257 AromaticContact NE1-CD2 3.9Å; E19-F257 HydrophobicContact CB-CD1 4.24Å; E19-F257 HydrophobicContact CB-CE1 3.59Å; E19-F257 HydrophobicContact CB-CZ 3.94Å; E19-F257 HydrophobicContact CG-CD1 3.94Å; E19-F257 HydrophobicContact CG-CE1 3.57Å; E19-F257 HydrophobicContact CG-CZ 4.42Å; A23-F257 HydrophobicContact CB-CE2 4.18Å; A23-F257 HydrophobicContact CB-CZ 4.19Å; L52-F257 HydrophobicContact CD1-CE2 4.24Å; F257-E259 VanDerWaalsContact C-N 3.34Å; F257-E259 PolarHBondContact O-N 2.89Å; F257-L260 WeakPolarHBondContact O-CB 3.47Å; F257-L260 PolarHBondContact O-N 3.32Å; F257-L260 VanDerWaalsContact O-N 3.1Å; F257-I261 HydrophobicContact CD1-CD1 4.2Å; F257-I261 HydrophobicContact CD1-CG1 4.36Å; F257-I261 HydrophobicContact CD2-CG2 4.34Å; F257-I261 HydrophobicContact CE1-CD1 3.57Å; F257-I261 HydrophobicContact CE1-CG1 4.07Å; F257-I261 HydrophobicContact CE1-CG2 4.34Å; F257-I261 HydrophobicContact CE2-CG2 3.74Å; F257-I261 HydrophobicContact CZ-CD1 3.99Å; F257-I261 HydrophobicContact CZ-CG1 4.32Å; F257-I261 HydrophobicContact CZ-CG2 3.74Å; F257-I261 VanDerWaalsContact O-CG1 3.26Å; F257-I261 WeakPolarHBondContact O-CG1 3.37Å; F257-I261 PolarHBondContact O-N 2.84Å
258G97.9Very high95.3Very high45 Ų4548.6 Ų48.646%0.46432%0.317SS..Hα-helixtrans-58.1-42.6177.500000113.1S256 I261 A262S256-G258 VanDerWaalsContact C-N 3.32Å; S256-G258 PolarHBondContact O-N 3.39Å; G258-I261 PolarHBondContact O-N 3.15Å; G258-A262 PolarHBondContact O-N 3.03Å
259E98.1Very high95.7Very high93 Ų9351.8 Ų51.844%0.43532%0.323SS..Hα-helixtrans-68.7-36.1175.3-69.5162.7130.900112.3K56 L255 S256 F257 I261 A262K56-E259 WeakPolarHBondContact CE-O 3.45Å; K56-E259 PolarHBondContact NZ-O 3.29Å; L255-E259 HydrophobicContact CB-CB 4.3Å; L255-E259 HydrophobicContact CD2-CB 4.33Å; S256-E259 VanDerWaalsContact CB-OE2 3.31Å; S256-E259 WeakPolarHBondContact CB-OE2 3.48Å; S256-E259 PolarHBondContact N-OE2 2.93Å; S256-E259 PolarHBondContact O-N 2.88Å; S256-E259 WeakPolarHBondContact OG-CG 3.43Å; S256-E259 PolarHBondContact OG-N 3.44Å; S256-E259 PolarHBondContact OG-OE2 2.71Å; F257-E259 VanDerWaalsContact C-N 3.34Å; F257-E259 PolarHBondContact O-N 2.89Å; E259-I261 VanDerWaalsContact C-N 3.28Å; E259-I261 PolarHBondContact O-N 2.7Å; E259-A262 PolarHBondContact O-N 3.15Å
260L97.1Very high96.1Very high0 Ų054.2 Ų54.20%033%0.329CS..Hα-helixtrans-62.4-36.3177.8-178.461.2000112F8 L52 L53 L255 S256 F257F8-L260 HydrophobicContact CD1-CD2 4.38Å; F8-L260 HydrophobicContact CD2-CD2 3.81Å; F8-L260 HydrophobicContact CE1-CD2 4.48Å; F8-L260 HydrophobicContact CE2-CD2 3.95Å; F8-L260 HydrophobicContact CG-CD2 4.04Å; F8-L260 HydrophobicContact CZ-CD2 4.27Å; L52-L260 HydrophobicContact CB-CD1 3.73Å; L52-L260 HydrophobicContact CB-CD2 3.82Å; L52-L260 HydrophobicContact CB-CG 3.65Å; L52-L260 HydrophobicContact CD1-CD2 3.75Å; L52-L260 HydrophobicContact CD1-CG 4.12Å; L52-L260 HydrophobicContact CG-CD2 4.47Å; L53-L260 HydrophobicContact CB-CD1 4.37Å; L53-L260 HydrophobicContact CD2-CD1 3.83Å; L53-L260 HydrophobicContact CG-CD1 3.81Å; L255-L260 HydrophobicContact CD1-CD1 4.47Å; S256-L260 WeakPolarHBondContact O-CB 3.43Å; S256-L260 PolarHBondContact O-N 3.37Å; F257-L260 WeakPolarHBondContact O-CB 3.47Å; F257-L260 PolarHBondContact O-N 3.32Å; F257-L260 VanDerWaalsContact O-N 3.1Å
261I96.8Very high96.5Very high31 Ų3155.5 Ų55.516%0.15933%0.331CS..THydrogen-bonded Turntrans-1046.9-178.464.7152.7000114.6F22 L52 F257 G258 E259 S263 A264F22-I261 HydrophobicContact CD1-CD1 3.68Å; F22-I261 HydrophobicContact CE1-CB 4.07Å; F22-I261 HydrophobicContact CE1-CD1 3.54Å; F22-I261 HydrophobicContact CE1-CG1 4.38Å; F22-I261 HydrophobicContact CE1-CG2 4.46Å; L52-I261 HydrophobicContact CD1-CG2 4.09Å; F257-I261 HydrophobicContact CD1-CD1 4.2Å; F257-I261 HydrophobicContact CD1-CG1 4.36Å; F257-I261 HydrophobicContact CD2-CG2 4.34Å; F257-I261 HydrophobicContact CE1-CD1 3.57Å; F257-I261 HydrophobicContact CE1-CG1 4.07Å; F257-I261 HydrophobicContact CE1-CG2 4.34Å; F257-I261 HydrophobicContact CE2-CG2 3.74Å; F257-I261 HydrophobicContact CZ-CD1 3.99Å; F257-I261 HydrophobicContact CZ-CG1 4.32Å; F257-I261 HydrophobicContact CZ-CG2 3.74Å; F257-I261 VanDerWaalsContact O-CG1 3.26Å; F257-I261 WeakPolarHBondContact O-CG1 3.37Å; F257-I261 PolarHBondContact O-N 2.84Å; G258-I261 PolarHBondContact O-N 3.15Å; E259-I261 VanDerWaalsContact C-N 3.28Å; E259-I261 PolarHBondContact O-N 2.7Å; I261-S263 PolarHBondContact O-N 3.38Å; I261-S263 VanDerWaalsContact O-N 3.1Å; I261-A264 HydrophobicContact CB-CB 3.98Å; I261-A264 HydrophobicContact CG2-CB 4.47Å; I261-A264 VanDerWaalsContact O-CB 3.25Å; I261-A264 WeakPolarHBondContact O-CB 3.46Å; I261-A264 PolarHBondContact O-N 3.42Å
262A95.9Very high96.4Very high74 Ų7454.9 Ų54.961%0.61233%0.326SS*.THydrogen-bonded Turntrans-54-36.4-174.300000113.7G258 E259G258-A262 PolarHBondContact O-N 3.03Å; E259-A262 PolarHBondContact O-N 3.15Å
263S93.8Very high96.3Very high47 Ų4756.6 Ų56.633%0.32935%0.345SS..THydrogen-bonded Turntrans-102.98.7-179.6-57.90000113E60 I261E60-S263 PolarHBondContact OE1-OG 3.36Å; I261-S263 PolarHBondContact O-N 3.38Å; I261-S263 VanDerWaalsContact O-N 3.1Å
264A96.4Very high96.2Very high17 Ų1753.6 Ų53.614%0.1433%0.325CS..  trans-81.8136.6-170.500000112.6F22 C26 W66 I261F22-A264 HydrophobicContact CE1-CB 4.27Å; C26-A264 HydrophobicContact CB-CB 4.1Å; W66-A264 HydrophobicContact CD2-CB 4.06Å; W66-A264 HydrophobicContact CE3-CB 4.12Å; W66-A264 HydrophobicContact CH2-CB 3.67Å; W66-A264 HydrophobicContact CZ2-CB 3.61Å; W66-A264 HydrophobicContact CZ3-CB 3.92Å; I261-A264 HydrophobicContact CB-CB 3.98Å; I261-A264 HydrophobicContact CG2-CB 4.47Å; I261-A264 VanDerWaalsContact O-CB 3.25Å; I261-A264 WeakPolarHBondContact O-CB 3.46Å; I261-A264 PolarHBondContact O-N 3.42Å
265S96.2Very high96.1Very high39 Ų3951.5 Ų51.527%0.27331%0.312SS..  trans-121.2140.9171.764.40000111.2W66 L267W66-S265 PolarHBondContact NE1-O 2.54Å; S265-L267 PolarHBondContact O-N 2.91Å
266P97.1Very high95.9Very high57 Ų5754.3 Ų54.337%0.3733%0.327SS..  trans-60.4133.8173.4-2636000112.1F22 R25F22-P266 HydrophobicContact CE2-CG 3.95Å; R25-P266 HydrophobicContact CB-CB 4.08Å; R25-P266 CarbonylContact O-C 3.5Å
267L96.3Very high95.7Very high55 Ų5554.4 Ų54.429%0.28833%0.328SS..  trans-102-27.4175.2-51.4-175.7000111.9R25 Q28 S265R25-L267 WeakPolarHBondContact O-CB 3.44Å; R25-L267 PolarHBondContact O-N 3.16Å; Q28-L267 HydrophobicContact CG-CD1 4.41Å; S265-L267 PolarHBondContact O-N 2.91Å
268T95.3Very high95.5Very high30 Ų3054.1 Ų54.118%0.18433%0.327CS..SBendtrans-126163-17871.20000110.9R25R25-T268 PolarHBondContact NE-O 3.46Å
269E94.6Very high95.4Very high173 Ų17358.9 Ų58.981%0.80833%0.33SS*.  trans-64.3160.2166.8-63.7-170164.300111.2
270E95.1Very high95.2Very high105 Ų10562.1 Ų62.149%0.49135%0.348SS..  trans-70.6138.6175.1-173.4170.7114.500110.8L21 R25L21-E270 HydrophobicContact CB-CG 4.33Å; L21-E270 HydrophobicContact CD1-CG 4.09Å; R25-E270 IonicContact NH1-OE2 2.72Å
271D93.2Very high95.1Very high63 Ų6364.1 Ų64.134%0.33736%0.356SS..  trans-125.595.5-178.7173.81000108.1L21 K32 A273 Y274L21-D271 WeakPolarHBondContact CD2-O 3.34Å; K32-D271 IonicContact NZ-OD2 3.53Å; K32-D271 PolarHBondContact NZ-OD2 2.9Å; D271-A273 PolarHBondContact O-N 3.4Å; D271-A273 WeakPolarHBondContact OD1-CB 3.45Å; D271-A273 PolarHBondContact OD1-N 3.19Å; D271-Y274 WeakPolarHBondContact O-CB 3.41Å; D271-Y274 PolarHBondContact O-N 2.83Å; D271-Y274 VanDerWaalsContact O-N 3.08Å; D271-Y274 PolarHBondContact OD1-N 3.48Å
272A93.4Very high94.9Very high45 Ų4565.3 Ų65.337%0.37237%0.37SS..Hα-helixtrans-59.4-32.9-175.500000112.5Y274 W275A272-Y274 PolarHBondContact O-N 3.04Å; A272-W275 PolarHBondContact O-N 3.46Å
273A94.6Very high94.7Very high61 Ų6166.4 Ų66.450%0.50436%0.363SS..Hα-helixtrans-66.3-24.7-179.800000112.1D271 W275 D276 S277D271-A273 PolarHBondContact O-N 3.4Å; D271-A273 WeakPolarHBondContact OD1-CB 3.45Å; D271-A273 PolarHBondContact OD1-N 3.19Å; A273-W275 VanDerWaalsContact C-N 3.3Å; A273-W275 PolarHBondContact O-N 2.84Å; A273-D276 PolarHBondContact O-N 3.31Å; A273-S277 WeakPolarHBondContact O-CB 3.3Å; A273-S277 PolarHBondContact O-N 2.95Å
274Y95.3Very high94.3Very high18 Ų1866.2 Ų66.27%0.07136%0.364CS..Hα-helixtrans-62.7-36.1177-163.6-101.5000112.7W20 A24 K32 I35 G36 M48 D271 A272 F278W20-Y274 AromaticContact CD1-CD1 3.79Å; W20-Y274 AromaticContact CE2-CE1 3.6Å; W20-Y274 AromaticContact CZ2-CE1 3.76Å; W20-Y274 HydrophobicContact CZ2-CE1 3.76Å; W20-Y274 AromaticContact NE1-CD1 3.24Å; W20-Y274 AromaticContact NE1-CE1 3.15Å; A24-Y274 HydrophobicContact CB-CD1 3.58Å; A24-Y274 HydrophobicContact CB-CE1 3.45Å; A24-Y274 VanDerWaalsContact CB-CE1 3.45Å; A24-Y274 HydrophobicContact CB-CG 4.47Å; K32-Y274 HydrophobicContact CG-CD2 4.25Å; K32-Y274 HydrophobicContact CG-CE2 3.75Å; K32-Y274 PolarHBondContact O-OH 2.67Å; I35-Y274 WeakPolarHBondContact CB-OH 3.35Å; I35-Y274 WeakPolarHBondContact CG2-OH 3.45Å; G36-Y274 PolarHBondContact N-OH 2.91Å; M48-Y274 HydrophobicContact CE-CE1 4.41Å; D271-Y274 WeakPolarHBondContact O-CB 3.41Å; D271-Y274 PolarHBondContact O-N 2.83Å; D271-Y274 VanDerWaalsContact O-N 3.08Å; D271-Y274 PolarHBondContact OD1-N 3.48Å; A272-Y274 PolarHBondContact O-N 3.04Å; Y274-F278 WeakPolarHBondContact O-CB 3.44Å; Y274-F278 PolarHBondContact O-N 3.43Å; Y274-F278 VanDerWaalsContact O-N 3.12Å
275W96.4Very high93.6Very high30 Ų3068.6 Ų68.611%0.11438%0.378CS..Hα-helixtrans-70.2-42.7174.8170.7-107.9000112P15 R17 W20 L21 A272 A273 S277 F278 R279P15-W275 WeakPolarHBondContact O-CH2 3.34Å; R17-W275 HydrophobicContact CB-CD2 3.83Å; R17-W275 HydrophobicContact CB-CE3 4.34Å; R17-W275 HydrophobicContact CB-CG 4.16Å; R17-W275 HydrophobicContact CB-CH2 4.47Å; R17-W275 HydrophobicContact CB-CZ2 3.99Å; R17-W275 HydrophobicContact CG-CB 4.21Å; R17-W275 HydrophobicContact CG-CD2 3.85Å; R17-W275 HydrophobicContact CG-CG 3.63Å; W20-W275 HydrophobicContact CB-CE3 3.68Å; W20-W275 HydrophobicContact CB-CZ3 3.75Å; W20-W275 AromaticContact CD1-CE3 3.78Å; W20-W275 AromaticContact CG-CE3 3.91Å; W20-W275 HydrophobicContact CG-CE3 3.91Å; W20-W275 HydrophobicContact CG-CZ3 4.19Å; L21-W275 HydrophobicContact CD1-CB 4.24Å; L21-W275 HydrophobicContact CD2-CB 3.82Å; L21-W275 HydrophobicContact CG-CB 4.04Å; A272-W275 PolarHBondContact O-N 3.46Å; A273-W275 VanDerWaalsContact C-N 3.3Å; A273-W275 PolarHBondContact O-N 2.84Å; W275-S277 VanDerWaalsContact C-N 3.32Å; W275-S277 PolarHBondContact O-N 2.8Å; W275-F278 AromaticContact CE3-CD1 3.94Å; W275-F278 HydrophobicContact CE3-CD1 3.94Å; W275-F278 AromaticContact CZ3-CD1 3.74Å; W275-F278 HydrophobicContact CZ3-CD1 3.74Å; W275-F278 HydrophobicContact CZ3-CE1 4Å; W275-F278 PolarHBondContact O-N 2.78Å; W275-R279 HydrophobicContact CZ2-CG 4.39Å; W275-R279 VanDerWaalsContact NE1-NE 3.19Å; W275-R279 WeakPolarHBondContact O-CB 3.32Å; W275-R279 PolarHBondContact O-N 3.35Å
276D94.5Very high92.2Very high76 Ų7675.8 Ų75.841%0.40641%0.408SS..Hα-helixtrans-64.3-41.8-179.7-63.5-33.3000110.8A273 F278 R279 M280A273-D276 PolarHBondContact O-N 3.31Å; D276-F278 PolarHBondContact O-N 3.26Å; D276-R279 PolarHBondContact O-N 3.26Å; D276-R279 IonicContact OD1-CZ 2.84Å; D276-R279 IonicContact OD1-NH2 3.72Å; D276-R279 PolarHBondContact OD1-NH2 2.89Å; D276-M280 VanDerWaalsContact O-CG 3.28Å; D276-M280 WeakPolarHBondContact O-CG 3.14Å; D276-M280 PolarHBondContact O-N 2.92Å
277S93.5Very high90.4Very high61 Ų6181.5 Ų81.543%0.42742%0.422SS..Hα-helixtrans-59.2-44.7172.1179.80000112.6A273 W275 K281A273-S277 WeakPolarHBondContact O-CB 3.3Å; A273-S277 PolarHBondContact O-N 2.95Å; W275-S277 VanDerWaalsContact C-N 3.32Å; W275-S277 PolarHBondContact O-N 2.8Å; S277-K281 WeakPolarHBondContact O-CG 3.27Å
278F94.9Very high88Confident17 Ų1787.7 Ų87.78%0.07545%0.449CS..Hα-helixtrans-65.8-46.4179.1172.8-103.9000112.7P15 W20 A41 A44 K45 Y274 W275 D276 M280 K281P15-F278 HydrophobicContact CG-CE1 4.03Å; P15-F278 HydrophobicContact CG-CZ 4.18Å; W20-F278 HydrophobicContact CD2-CD1 4.02Å; W20-F278 HydrophobicContact CD2-CD2 4.17Å; W20-F278 HydrophobicContact CD2-CE1 4.19Å; W20-F278 HydrophobicContact CD2-CE2 4.34Å; W20-F278 HydrophobicContact CD2-CG 4.01Å; W20-F278 HydrophobicContact CD2-CZ 4.35Å; W20-F278 AromaticContact CE2-CD1 4Å; W20-F278 AromaticContact CE2-CD2 3.56Å; W20-F278 AromaticContact CE2-CG 3.5Å; W20-F278 VanDerWaalsContact CE2-CG 3.5Å; W20-F278 HydrophobicContact CE3-CE1 4.37Å; W20-F278 HydrophobicContact CE3-CE2 4.24Å; W20-F278 HydrophobicContact CE3-CZ 4.17Å; W20-F278 HydrophobicContact CG-CD1 4.1Å; W20-F278 HydrophobicContact CG-CE1 4.48Å; W20-F278 HydrophobicContact CG-CG 4.35Å; W20-F278 AromaticContact CH2-CD2 3.76Å; W20-F278 HydrophobicContact CH2-CD2 3.76Å; W20-F278 AromaticContact CH2-CE2 3.7Å; W20-F278 HydrophobicContact CH2-CE2 3.7Å; W20-F278 HydrophobicContact CH2-CZ 4.42Å; W20-F278 HydrophobicContact CZ2-CB 4.21Å; W20-F278 AromaticContact CZ2-CD2 3.34Å; W20-F278 HydrophobicContact CZ2-CD2 3.34Å; W20-F278 AromaticContact CZ2-CE2 3.8Å; W20-F278 HydrophobicContact CZ2-CE2 3.8Å; W20-F278 AromaticContact CZ2-CG 3.8Å; W20-F278 HydrophobicContact CZ2-CG 3.8Å; W20-F278 HydrophobicContact CZ3-CD2 4.32Å; W20-F278 AromaticContact CZ3-CE2 3.93Å; W20-F278 HydrophobicContact CZ3-CE2 3.93Å; W20-F278 HydrophobicContact CZ3-CZ 4.2Å; W20-F278 VanDerWaalsContact NE1-CB 3.34Å; W20-F278 AromaticContact NE1-CG 3.52Å; A41-F278 HydrophobicContact CB-CE2 3.85Å; A41-F278 HydrophobicContact CB-CZ 4.18Å; A44-F278 HydrophobicContact CB-CD2 4.32Å; A44-F278 HydrophobicContact CB-CE2 4.29Å; K45-F278 HydrophobicContact CD-CZ 4.41Å; K45-F278 HydrophobicContact CG-CE2 4.15Å; K45-F278 HydrophobicContact CG-CZ 4.04Å; Y274-F278 WeakPolarHBondContact O-CB 3.44Å; Y274-F278 PolarHBondContact O-N 3.43Å; Y274-F278 VanDerWaalsContact O-N 3.12Å; W275-F278 AromaticContact CE3-CD1 3.94Å; W275-F278 HydrophobicContact CE3-CD1 3.94Å; W275-F278 AromaticContact CZ3-CD1 3.74Å; W275-F278 HydrophobicContact CZ3-CD1 3.74Å; W275-F278 HydrophobicContact CZ3-CE1 4Å; W275-F278 PolarHBondContact O-N 2.78Å; D276-F278 PolarHBondContact O-N 3.26Å; F278-M280 PolarHBondContact O-N 3.14Å; F278-K281 HydrophobicContact CD2-CD 4.47Å; F278-K281 WeakPolarHBondContact O-CB 3.29Å; F278-K281 WeakPolarHBondContact O-CG 3.32Å; F278-K281 PolarHBondContact O-N 3.32Å
279R94.8Very high85.6Confident145 Ų14594.5 Ų94.555%0.54747%0.472SS..Hα-helixtrans-62-28.9-176.9-163.8-158.6-38.5-162.513.7113W275 D276 K281W275-R279 HydrophobicContact CZ2-CG 4.39Å; W275-R279 VanDerWaalsContact NE1-NE 3.19Å; W275-R279 WeakPolarHBondContact O-CB 3.32Å; W275-R279 PolarHBondContact O-N 3.35Å; D276-R279 PolarHBondContact O-N 3.26Å; D276-R279 IonicContact OD1-CZ 2.84Å; D276-R279 IonicContact OD1-NH2 3.72Å; D276-R279 PolarHBondContact OD1-NH2 2.89Å; R279-K281 VanDerWaalsContact C-N 3.29Å
280M94.1Very high83Confident161 Ų16192.8 Ų92.879%0.79347%0.468SS*.THydrogen-bonded Turntrans-78.2-11.6178.3-68.3-57.2-5900113.5D276 F278D276-M280 VanDerWaalsContact O-CG 3.28Å; D276-M280 WeakPolarHBondContact O-CG 3.14Å; D276-M280 PolarHBondContact O-N 2.92Å; F278-M280 PolarHBondContact O-N 3.14Å
281K94.6Very high80Confident42 Ų4293.2 Ų93.218%0.18348%0.478CS..SBendtrans-73.2137.5179.6-61178.5-168.9-630110.2G36 F38 A41 S277 F278 R279G36-K281 PolarHBondContact O-NZ 3.4Å; F38-K281 WeakPolarHBondContact O-CD 3.44Å; F38-K281 VanDerWaalsContact O-CE 3.29Å; F38-K281 WeakPolarHBondContact O-CE 3.3Å; F38-K281 PolarHBondContact O-NZ 2.88Å; A41-K281 HydrophobicContact CB-CB 4.11Å; S277-K281 WeakPolarHBondContact O-CG 3.27Å; F278-K281 HydrophobicContact CD2-CD 4.47Å; F278-K281 WeakPolarHBondContact O-CB 3.29Å; F278-K281 WeakPolarHBondContact O-CG 3.32Å; F278-K281 PolarHBondContact O-N 3.32Å; R279-K281 VanDerWaalsContact C-N 3.29Å
282A93.3Very high77.2Confident55 Ų5598.9 Ų98.946%0.45550%0.503SS..  trans-66.4147.8167.200000110.2F40 A41 A284F40-A282 WeakPolarHBondContact CA-O 3.35Å; F40-A282 HydrophobicContact CD1-CB 4.21Å; F40-A282 HydrophobicContact CE1-CB 4.43Å; A41-A282 PolarHBondContact N-O 3.24Å; A282-A284 PolarHBondContact O-N 3.36Å
283E90.5Very high74.6Confident97 Ų97104.4 Ų104.445%0.45352%0.524SS..SBendtrans-64.2-43.2-178.2-172.259.8-155.100111.8K42 K45K42-E283 VanDerWaalsContact CB-O 3.3Å; K42-E283 WeakPolarHBondContact CB-O 3.38Å; K42-E283 VanDerWaalsContact CG-O 3.24Å; K42-E283 WeakPolarHBondContact CG-O 3.43Å; K42-E283 PolarHBondContact N-O 2.86Å; K45-E283 WeakPolarHBondContact CE-OE1 3.46Å; K45-E283 IonicContact NZ-OE1 3.61Å; K45-E283 PolarHBondContact NZ-OE1 3.26Å; K45-E283 IonicContact NZ-OE2 3.03Å
284A85.4Confident71.9Confident43 Ų43106.7 Ų106.736%0.35554%0.536SS..SBendtrans-152.9164.8-179.600000110.3F40 K42 A282 Q286F40-A284 VanDerWaalsContact CD1-C 3.47Å; K42-A284 HydrophobicContact CD-CB 3.96Å; A282-A284 PolarHBondContact O-N 3.36Å; A284-Q286 PolarHBondContact O-N 2.93Å
285P82Confident69Low68 Ų68113.2 Ų113.244%0.44261%0.609SS.*PPolyproline II helixtrans-57.4131.5169.7-14.122.3000110.7F40 R287F40-P285 HydrophobicContact CD2-CG 4.21Å; F40-P285 HydrophobicContact CE1-CB 4.21Å; F40-P285 HydrophobicContact CE1-CG 4.02Å; F40-P285 VanDerWaalsContact CE1-N 3.34Å; F40-P285 HydrophobicContact CE2-CB 4.44Å; F40-P285 HydrophobicContact CE2-CG 3.64Å; F40-P285 HydrophobicContact CZ-CB 3.86Å; F40-P285 HydrophobicContact CZ-CG 3.54Å; P285-R287 PolarHBondContact O-N 3.26Å
286Q67.8Low67.6Low190 Ų190117.4 Ų117.489%0.88863%0.633SS**PPolyproline II helixtrans-67.8122.9169.3-71.3176.7-14.300108.6A284A284-Q286 PolarHBondContact O-N 2.93Å
287R60Low66.2Low176 Ų176119.5 Ų119.566%0.66465%0.645SS**PPolyproline II helixtrans-76.3137.1175.6-69.1-179.2178.1-176.2-2.2108.5P285 R289 D290P285-R287 PolarHBondContact O-N 3.26Å; R287-R289 PolarHBondContact O-N 3.22Å; R287-D290 PolarHBondContact O-N 3.49Å
288Q44.9Very low64.7Low186 Ų186122.8 Ų122.887%0.86966%0.658SS**THydrogen-bonded Turntrans-57.82.1178.3-83179.2-24.200115.9T291Q288-T291 PolarHBondContact O-OG1 2.92Å
289R45.1Very low62.9Low172 Ų172129 Ų12965%0.64969%0.692SS**THydrogen-bonded Turntrans-90.8-13.2-178.6-68.7-172.1-167.2175.35.5114.5R287 T291R287-R289 PolarHBondContact O-N 3.22Å; R289-T291 PolarHBondContact O-N 2.82Å
290D39.2Very low60.9Low138 Ų138128 Ų12874%0.73870%0.701SS**THydrogen-bonded Turntrans-83.22.4179.9-63.2-22.7000113.2R287R287-D290 PolarHBondContact O-N 3.49Å
291T32.8Very low58.7Low114 Ų114125.8 Ų125.870%0.69970%0.695SS**THydrogen-bonded Turntrans-103.45.4-178.75.30000114.5Q288 R289Q288-T291 PolarHBondContact O-OG1 2.92Å; R289-T291 PolarHBondContact O-N 2.82Å
292Q34.1Very low56.2Low182 Ų182131.8 Ų131.885%0.8573%0.731SS**SBendtrans-116.112.3179.8-86.2-170.9-17.600115.4
293I39.8Very low53.3Low161 Ų161137.7 Ų137.783%0.82675%0.753SS**SBendtrans-120.657167.7-43.7178.7000108.7
294S38Very low50.2Low109 Ų109141.1 Ų141.176%0.76278%0.778SS**  trans-168.370.9165.68.40000108
295G33.5Very low47Very low154 Ų154150 Ų150100%1.58882%0.816SS**  trans-159.80173.800000109.4

Retrieved 295 of 295 residues in 331.1 ms (Link to these results)

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