A0A3Q0KS19_SCHMA Loading...

Putative pcdc2/rp-8 (Programmed cell death protein 2)

AlphaFold DB , UniProt , Accession A0A3Q0KS19, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 358 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
1M47Very low84Confident113 Ų11351.6 Ų51.656%0.55729%0.291SS*.  0150.60-68.5-178.7-171.100107.3Y61 F270M1-Y61 WeakPolarHBondContact CE-O 3.39Å; M1-F270 HydrophobicContact CB-CE1 4.32Å; M1-F270 HydrophobicContact SD-CD1 3.99Å; M1-F270 HydrophobicContact SD-CE1 3.74Å; M1-F270 HydrophobicContact SD-CZ 4.24Å
2S49.7Very low85Confident69 Ų6961.9 Ų61.948%0.48334%0.335SS..  trans-56.8154.5173.261.10000108.9E4S2-E4 WeakPolarHBondContact CB-OE2 3.5Å; S2-E4 PolarHBondContact O-N 3.29Å; S2-E4 WeakPolarHBondContact OG-CB 3.19Å; S2-E4 PolarHBondContact OG-OE2 3.26Å
3T65.4Low85.5Confident118 Ų11859.5 Ų59.572%0.72433%0.334SS*.SBendtrans-67.18171.2480000112.1H271T3-H271 PolarHBondContact O-CD2 2.84Å; T3-H271 PolarHBondContact O-NE2 3.48Å; T3-H271 VanDerWaalsContact O-NE2 3.07Å
4E85.8Confident86.1Confident108 Ų10857 Ų5751%0.50532%0.324SS..SBendtrans-87.1156.7-178.1-57.5162.8154.600110S2 A6S2-E4 WeakPolarHBondContact CB-OE2 3.5Å; S2-E4 PolarHBondContact O-N 3.29Å; S2-E4 WeakPolarHBondContact OG-CB 3.19Å; S2-E4 PolarHBondContact OG-OE2 3.26Å; E4-A6 PolarHBondContact O-N 3.02Å
5L92.8Very high86.5Confident40 Ų4055.6 Ų55.621%0.20932%0.318CS..  trans-64.9128.3176.8175.266.2000110.4L7 A206 R269 F270 H271L5-L7 HydrophobicContact CD1-CD2 4.2Å; L5-L7 HydrophobicContact CD2-CD2 4.06Å; L5-L7 HydrophobicContact CG-CD2 3.99Å; L5-A206 HydrophobicContact CB-CB 4Å; L5-A206 HydrophobicContact CD2-CB 3.6Å; L5-A206 HydrophobicContact CG-CB 3.67Å; L5-A206 WeakPolarHBondContact O-CB 3.33Å; L5-A206 PolarHBondContact O-N 3Å; L5-R269 HydrophobicContact CD1-CB 3.98Å; L5-R269 VanDerWaalsContact CD2-NH2 3.32Å; L5-F270 WeakPolarHBondContact CA-O 3.29Å; L5-H271 HydrophobicContact CD1-CB 4Å
6A95.3Very high86.8Confident16 Ų1656.1 Ų56.113%0.13231%0.313CS..EExtended strand (participates in β ladder)trans-115.8135.916800000110.5E4 E204 F270E4-A6 PolarHBondContact O-N 3.02Å; A6-E204 CarbonylContact C-O 3.5Å; A6-E204 VanDerWaalsContact CA-O 3.3Å; A6-E204 WeakPolarHBondContact CA-O 3.24Å; A6-F270 HydrophobicContact CB-CB 4.4Å; A6-F270 PolarHBondContact N-O 3.26Å; A6-F270 PolarHBondContact O-N 3.45Å
7L96.7Very high87.2Confident13 Ų1355.5 Ų55.57%0.06831%0.307CS..EExtended strand (participates in β ladder)trans-97.4132.7176.9-51.9-171.2000109.2L5 F9 S203 E204 A206 A263 Q266 I268 R269L5-L7 HydrophobicContact CD1-CD2 4.2Å; L5-L7 HydrophobicContact CD2-CD2 4.06Å; L5-L7 HydrophobicContact CG-CD2 3.99Å; L7-F9 HydrophobicContact CB-CE2 3.77Å; L7-F9 HydrophobicContact CB-CZ 3.88Å; L7-F9 HydrophobicContact CD1-CZ 4.45Å; L7-S203 CarbonylContact O-C 3.59Å; L7-S203 VanDerWaalsContact O-CA 3.28Å; L7-S203 WeakPolarHBondContact O-CA 3.36Å; L7-E204 PolarHBondContact N-O 3.41Å; L7-E204 PolarHBondContact O-N 2.75Å; L7-A206 HydrophobicContact CD1-CB 4.26Å; L7-A206 HydrophobicContact CD2-CB 4.12Å; L7-A206 HydrophobicContact CG-CB 3.9Å; L7-A263 HydrophobicContact CD1-CB 3.69Å; L7-Q266 HydrophobicContact CB-CB 4.43Å; L7-I268 CarbonylContact C-O 3.55Å; L7-I268 WeakPolarHBondContact CA-O 3.45Å; L7-R269 HydrophobicContact CD2-CG 3.97Å
8G97.4Very high87.7Confident0 Ų052.8 Ų52.80%029%0.292CS..EExtended strand (participates in β ladder)trans-107.3137.9178.800000112.2C202 V267 I268G8-C202 CarbonylContact C-O 3.54Å; G8-C202 VanDerWaalsContact CA-O 3.29Å; G8-C202 WeakPolarHBondContact CA-O 3.2Å; G8-V267 VanDerWaalsContact O-CG2 3.27Å; G8-V267 WeakPolarHBondContact O-CG2 3.24Å; G8-V267 PolarHBondContact O-N 2.79Å; G8-I268 PolarHBondContact N-O 2.95Å; G8-I268 PolarHBondContact O-N 2.85Å
9F98.1Very high87.9Confident27 Ų2751.1 Ų51.112%0.11828%0.283CS..EExtended strand (participates in β ladder)trans-125.3133.4-177.3-56.4-88.8000110.6L7 L201 C202 E204 A263 D265 Q266L7-F9 HydrophobicContact CB-CE2 3.77Å; L7-F9 HydrophobicContact CB-CZ 3.88Å; L7-F9 HydrophobicContact CD1-CZ 4.45Å; F9-L201 WeakPolarHBondContact O-CA 3.43Å; F9-C202 PolarHBondContact N-O 3.36Å; F9-C202 PolarHBondContact O-N 3.47Å; F9-E204 HydrophobicContact CE2-CB 4.32Å; F9-E204 HydrophobicContact CE2-CG 4.41Å; F9-A263 HydrophobicContact CE1-CB 4.05Å; F9-A263 HydrophobicContact CZ-CB 3.97Å; F9-D265 WeakPolarHBondContact CE1-OD1 3.33Å; F9-Q266 HydrophobicContact CD1-CB 4.42Å; F9-Q266 HydrophobicContact CE1-CB 3.88Å; F9-Q266 HydrophobicContact CZ-CB 4.26Å
10A98.1Very high88.3Confident7 Ų749.4 Ų49.46%0.05828%0.275CS..EExtended strand (participates in β ladder)trans-82.7116.4175.100000109.7V27 Y199 R200 V267 Y309A10-V27 HydrophobicContact CB-CG2 4.44Å; A10-Y199 HydrophobicContact CB-CG 4.4Å; A10-R200 WeakPolarHBondContact CA-O 3.1Å; A10-V267 HydrophobicContact CB-CG1 4.35Å; A10-V267 HydrophobicContact CB-CG2 4.16Å; A10-Y309 HydrophobicContact CB-CD1 3.64Å; A10-Y309 HydrophobicContact CB-CD2 4.2Å; A10-Y309 HydrophobicContact CB-CE1 3.67Å; A10-Y309 HydrophobicContact CB-CE2 4.23Å; A10-Y309 HydrophobicContact CB-CG 3.91Å; A10-Y309 WeakPolarHBondContact O-CE1 3.2Å
11V97.6Very high88.4Confident57 Ų5747.8 Ų47.835%0.34527%0.265SS..EExtended strand (participates in β ladder)trans-123.1151.2-179.2-560000111G13 Y199 R200 C202V11-G13 PolarHBondContact O-N 3.27Å; V11-Y199 WeakPolarHBondContact O-CB 3.29Å; V11-R200 HydrophobicContact CG2-CB 3.86Å; V11-R200 HydrophobicContact CG2-CG 4.29Å; V11-R200 PolarHBondContact N-O 3.28Å; V11-R200 PolarHBondContact O-N 3.47Å; V11-C202 HydrophobicContact CG2-CB 4.44Å; V11-C202 WeakPolarHBondContact CG2-SG 3.45Å
12E96.3Very high90.7Very high175 Ų17543.9 Ų43.982%0.81825%0.247SC*.  trans-61.7137.2174.2-65.9-172.6171.600110.4Y199E12-Y199 HydrophobicContact CG-CD1 4.43Å; E12-Y199 HydrophobicContact CG-CE1 4.24Å
13G91.4Very high92.9Very high31 Ų3142.3 Ų42.332%0.3223%0.231SC..  trans-152.4153.4-179.900000110V11V11-G13 PolarHBondContact O-N 3.27Å
14A93.2Very high94.4Very high24 Ų2437.2 Ų37.220%0.19820%0.2CC..  trans-72.9130.9179.500000110.6W16 H17A14-W16 HydrophobicContact CB-CD2 3.84Å; A14-W16 VanDerWaalsContact CB-CE2 3.4Å; A14-W16 HydrophobicContact CB-CE3 4.33Å; A14-W16 HydrophobicContact CB-CG 4.34Å; A14-W16 HydrophobicContact CB-CH2 4.07Å; A14-W16 HydrophobicContact CB-CZ2 3.55Å; A14-W16 HydrophobicContact CB-CZ3 4.42Å; A14-W16 PolarHBondContact O-N 2.91Å; A14-H17 WeakPolarHBondContact O-CB 3.31Å; A14-H17 PolarHBondContact O-N 3.05Å
15P92.9Very high95Very high36 Ų3633.8 Ų33.823%0.23419%0.185CC..G310 helixtrans-52.9-32.8-179.5-34.139.1000115.1H17 L18 F189 E198P15-H17 PolarHBondContact O-N 2.79Å; P15-L18 PolarHBondContact O-N 2.95Å; P15-F189 HydrophobicContact CB-CB 4.15Å; P15-F189 HydrophobicContact CB-CD1 3.78Å; P15-F189 HydrophobicContact CB-CG 4.32Å; P15-E198 WeakPolarHBondContact CA-OE2 3.38Å; P15-E198 WeakPolarHBondContact CB-OE2 3.05Å
16W91.8Very high95.2Very high64 Ų6432 Ų3224%0.24218%0.176CC..G310 helixtrans-73.1-11.1178.253.984.4000114.2A14 V19 R120 L123 F189A14-W16 HydrophobicContact CB-CD2 3.84Å; A14-W16 VanDerWaalsContact CB-CE2 3.4Å; A14-W16 HydrophobicContact CB-CE3 4.33Å; A14-W16 HydrophobicContact CB-CG 4.34Å; A14-W16 HydrophobicContact CB-CH2 4.07Å; A14-W16 HydrophobicContact CB-CZ2 3.55Å; A14-W16 HydrophobicContact CB-CZ3 4.42Å; A14-W16 PolarHBondContact O-N 2.91Å; W16-V19 WeakPolarHBondContact O-CG2 3.36Å; W16-R120 HydrophobicContact CD2-CB 3.93Å; W16-R120 HydrophobicContact CD2-CG 4.25Å; W16-R120 HydrophobicContact CE3-CB 4.14Å; W16-R120 HydrophobicContact CE3-CG 4.05Å; W16-R120 HydrophobicContact CG-CB 4.35Å; W16-R120 HydrophobicContact CZ2-CB 4.38Å; W16-R120 HydrophobicContact CZ3-CB 4.47Å; W16-R120 HydrophobicContact CZ3-CG 4.45Å; W16-L123 HydrophobicContact CB-CD2 3.45Å; W16-L123 VanDerWaalsContact CB-CD2 3.45Å; W16-L123 WeakPolarHBondContact O-CD2 3.37Å; W16-F189 HydrophobicContact CB-CE1 4.09Å; W16-F189 HydrophobicContact CB-CZ 4.11Å
17H93.9Very high95.4Very high45 Ų4531.2 Ų31.221%0.20817%0.17CC..G310 helixtrans-89-6.1168.1-59.8150.2000112.4A14 P15 P118A14-H17 WeakPolarHBondContact O-CB 3.31Å; A14-H17 PolarHBondContact O-N 3.05Å; P15-H17 PolarHBondContact O-N 2.79Å; H17-P118 PolarHBondContact NE2-O 3.39Å
18L94.8Very high95.4Very high8 Ų830.6 Ų30.64%0.04217%0.166CC..SBendtrans-109.142-174.1-56.8-179.3000112P15 P24 K26 E198 R200P15-L18 PolarHBondContact O-N 2.95Å; L18-P24 HydrophobicContact CB-CB 4.48Å; L18-P24 HydrophobicContact CD2-CB 3.93Å; L18-K26 HydrophobicContact CB-CD 4.07Å; L18-K26 HydrophobicContact CD1-CB 4.37Å; L18-K26 HydrophobicContact CD2-CB 4.26Å; L18-K26 PolarHBondContact O-NZ 3.09Å; L18-E198 HydrophobicContact CD1-CG 3.69Å; L18-R200 HydrophobicContact CD2-CB 4.14Å; L18-R200 HydrophobicContact CD2-CG 4.36Å
19V92.9Very high95.4Very high19 Ų1930.9 Ų30.912%0.11517%0.169CC..SBendtrans-112.2154.6-175.7-670000113.1W16 H21 L22 P24 L123 F189W16-V19 WeakPolarHBondContact O-CG2 3.36Å; V19-H21 VanDerWaalsContact C-N 3.31Å; V19-H21 WeakPolarHBondContact CG2-CE1 3.43Å; V19-H21 PolarHBondContact O-N 2.94Å; V19-L22 HydrophobicContact CG2-CD1 3.9Å; V19-L22 HydrophobicContact CG2-CG 4.07Å; V19-L22 PolarHBondContact O-N 2.97Å; V19-P24 VanDerWaalsContact O-CD 3.32Å; V19-P24 WeakPolarHBondContact O-CD 3.18Å; V19-L123 HydrophobicContact CG1-CD2 4.22Å; V19-L123 HydrophobicContact CG2-CD2 4.39Å; V19-F189 HydrophobicContact CG1-CE1 3.71Å; V19-F189 HydrophobicContact CG1-CZ 4.19Å
20S94.4Very high95.4Very high18 Ų1831 Ų3113%0.12617%0.168CC..G310 helixtrans-45.9-39.5-171.3-72.10000117.2L22 F23 A32 W33 Y108S20-L22 VanDerWaalsContact C-N 3.28Å; S20-L22 PolarHBondContact O-N 2.85Å; S20-F23 PolarHBondContact O-N 2.96Å; S20-A32 VanDerWaalsContact OG-C 3.26Å; S20-W33 VanDerWaalsContact CB-O 3.24Å; S20-W33 WeakPolarHBondContact CB-O 3.49Å; S20-W33 PolarHBondContact OG-N 3.33Å; S20-W33 PolarHBondContact OG-O 2.98Å; S20-Y108 WeakPolarHBondContact O-CE1 3.13Å; S20-Y108 PolarHBondContact O-OH 3.16Å
21H91.7Very high95.3Very high15 Ų1531.1 Ų31.17%0.06917%0.169CC..G310 helixtrans-80.2-9.1-175.871.9-82.6000114.2V19 F23 Y108 P113 P133V19-H21 VanDerWaalsContact C-N 3.31Å; V19-H21 WeakPolarHBondContact CG2-CE1 3.43Å; V19-H21 PolarHBondContact O-N 2.94Å; H21-F23 WeakPolarHBondContact O-CE2 3.38Å; H21-Y108 HydrophobicContact CB-CD1 4.36Å; H21-Y108 HydrophobicContact CB-CE1 4.26Å; H21-P113 WeakPolarHBondContact O-CG 3.37Å; H21-P133 HydrophobicContact CB-CG 4.28Å
22L94.8Very high95.3Very high31 Ų3128.7 Ų28.716%0.16215%0.154CC..G310 helixtrans-99.81.6174.4-59.3179.3000112.1V19 S20 P113 P118V19-L22 HydrophobicContact CG2-CD1 3.9Å; V19-L22 HydrophobicContact CG2-CG 4.07Å; V19-L22 PolarHBondContact O-N 2.97Å; S20-L22 VanDerWaalsContact C-N 3.28Å; S20-L22 PolarHBondContact O-N 2.85Å; L22-P113 HydrophobicContact CD2-CB 4.17Å; L22-P113 HydrophobicContact CD2-CG 4.05Å; L22-P118 HydrophobicContact CD1-CG 4.31Å
23F95.8Very high95.3Very high37 Ų3720.5 Ų20.516%0.16212%0.116CC..  trans47.954176.5-50.7-79.4000114.1S20 H21 L34 Y61 H72 M74 Y108S20-F23 PolarHBondContact O-N 2.96Å; H21-F23 WeakPolarHBondContact O-CE2 3.38Å; F23-L34 HydrophobicContact CD1-CD1 3.92Å; F23-L34 HydrophobicContact CE1-CD1 3.77Å; F23-Y61 HydrophobicContact CB-CD2 4.08Å; F23-Y61 HydrophobicContact CB-CE2 4.19Å; F23-Y61 HydrophobicContact CB-CG 4.5Å; F23-Y61 HydrophobicContact CD1-CE2 4.41Å; F23-Y61 HydrophobicContact CG-CE2 4.45Å; F23-H72 AromaticContact CD1-ND1 3.9Å; F23-H72 AromaticContact CE1-CE1 3.72Å; F23-H72 AromaticContact CE1-CG 3.88Å; F23-H72 AromaticContact CE1-ND1 3.69Å; F23-H72 AromaticContact CE1-NE2 3.96Å; F23-H72 AromaticContact CE2-CE1 3.73Å; F23-H72 AromaticContact CZ-CE1 3.44Å; F23-H72 VanDerWaalsContact CZ-CE1 3.44Å; F23-H72 WeakPolarHBondContact CZ-CE1 3.28Å; F23-H72 AromaticContact CZ-ND1 3.91Å; F23-H72 AromaticContact CZ-NE2 3.61Å; F23-M74 VanDerWaalsContact CA-CE 3.45Å; F23-M74 HydrophobicContact CB-CE 3.8Å; F23-M74 WeakPolarHBondContact O-CE 3.26Å; F23-Y108 HydrophobicContact CE1-CD1 4.02Å; F23-Y108 HydrophobicContact CE1-CD2 4.02Å; F23-Y108 AromaticContact CE1-CE1 3.95Å; F23-Y108 HydrophobicContact CE1-CE1 3.95Å; F23-Y108 AromaticContact CE1-CE2 3.94Å; F23-Y108 HydrophobicContact CE1-CE2 3.94Å; F23-Y108 HydrophobicContact CE1-CG 4.05Å; F23-Y108 AromaticContact CE1-CZ 3.88Å; F23-Y108 AromaticContact CZ-CD1 3.64Å; F23-Y108 HydrophobicContact CZ-CD1 3.64Å; F23-Y108 HydrophobicContact CZ-CD2 4.11Å; F23-Y108 AromaticContact CZ-CE1 3.99Å; F23-Y108 HydrophobicContact CZ-CE1 3.99Å; F23-Y108 HydrophobicContact CZ-CE2 4.42Å; F23-Y108 AromaticContact CZ-CG 3.7Å; F23-Y108 HydrophobicContact CZ-CG 3.7Å
24P96.5Very high95.7Very high11 Ų1119 Ų197%0.07110%0.101CC..  trans-75.3143.1-169.332.8-38.5000113L18 V19 K26 A32 Q59L18-P24 HydrophobicContact CB-CB 4.48Å; L18-P24 HydrophobicContact CD2-CB 3.93Å; V19-P24 VanDerWaalsContact O-CD 3.32Å; V19-P24 WeakPolarHBondContact O-CD 3.18Å; P24-K26 HydrophobicContact CB-CD 4.45Å; P24-K26 HydrophobicContact CG-CD 4.03Å; P24-K26 HydrophobicContact CG-CG 4.48Å; P24-A32 HydrophobicContact CG-CB 3.66Å; P24-Q59 WeakPolarHBondContact O-CG 3.43Å; P24-Q59 PolarHBondContact O-NE2 3.46Å; P24-Q59 VanDerWaalsContact O-NE2 3.14Å
25D98.1Very high95.9Very high36 Ų3618 Ų1819%0.1939%0.092CC..  trans-81.6124.4153.1-66.5-48.8000108.7I60 Y61 L201D25-I60 WeakPolarHBondContact OD1-CA 3.42Å; D25-Y61 PolarHBondContact OD1-N 2.97Å; D25-L201 HydrophobicContact CB-CB 3.96Å; D25-L201 HydrophobicContact CB-CD2 4.46Å; D25-L201 HydrophobicContact CB-CG 4.45Å; D25-L201 WeakPolarHBondContact CB-O 3.41Å; D25-L201 PolarHBondContact O-N 2.91Å
26K98.3Very high96.1Very high2 Ų216.2 Ų16.21%0.0098%0.081CC..EExtended strand (participates in β ladder)trans-157.8157.4-174.659.4178-60.5-164.10113.9L18 P24 G28 R30 A32 F56 L58 Q59 E198 Y199L18-K26 HydrophobicContact CB-CD 4.07Å; L18-K26 HydrophobicContact CD1-CB 4.37Å; L18-K26 HydrophobicContact CD2-CB 4.26Å; L18-K26 PolarHBondContact O-NZ 3.09Å; P24-K26 HydrophobicContact CB-CD 4.45Å; P24-K26 HydrophobicContact CG-CD 4.03Å; P24-K26 HydrophobicContact CG-CG 4.48Å; K26-G28 VanDerWaalsContact CE-O 3.26Å; K26-G28 WeakPolarHBondContact CE-O 3.22Å; K26-R30 PolarHBondContact NZ-O 2.95Å; K26-A32 HydrophobicContact CD-CB 4.42Å; K26-F56 HydrophobicContact CD-CE1 4.3Å; K26-F56 HydrophobicContact CG-CE1 4.26Å; K26-F56 HydrophobicContact CG-CZ 4.31Å; K26-L58 CarbonylContact O-C 3.6Å; K26-L58 WeakPolarHBondContact O-CA 3.19Å; K26-L58 VanDerWaalsContact O-CB 3.29Å; K26-L58 WeakPolarHBondContact O-CB 3.45Å; K26-Q59 HydrophobicContact CD-CG 4.24Å; K26-Q59 HydrophobicContact CG-CG 3.58Å; K26-Q59 PolarHBondContact N-O 2.79Å; K26-Q59 VanDerWaalsContact N-O 3.14Å; K26-Q59 PolarHBondContact O-N 3.04Å; K26-E198 WeakPolarHBondContact CE-OE1 3.35Å; K26-E198 IonicContact NZ-OE1 3.21Å; K26-E198 PolarHBondContact NZ-OE1 3.29Å; K26-Y199 CarbonylContact C-O 3.58Å; K26-Y199 VanDerWaalsContact CA-O 3.24Å; K26-Y199 WeakPolarHBondContact CA-O 3.18Å; K26-Y199 VanDerWaalsContact CB-O 3.26Å; K26-Y199 WeakPolarHBondContact CB-O 3.47Å
27V98.5Very high96.4Very high0 Ų016.9 Ų16.90%09%0.086CC..EExtended strand (participates in β ladder)trans-110.9138.4169179.40000108.5A10 L57 L58 E198 Y199 L201 I306 L310A10-V27 HydrophobicContact CB-CG2 4.44Å; V27-L57 CarbonylContact C-O 3.57Å; V27-L57 WeakPolarHBondContact CA-O 3.49Å; V27-L58 HydrophobicContact CG2-CB 4.22Å; V27-E198 CarbonylContact O-C 3.5Å; V27-E198 VanDerWaalsContact O-CA 3.31Å; V27-E198 WeakPolarHBondContact O-CA 3.39Å; V27-Y199 PolarHBondContact N-O 2.91Å; V27-Y199 PolarHBondContact O-N 3.09Å; V27-L201 HydrophobicContact CG2-CD1 4.47Å; V27-I306 HydrophobicContact CG1-CD1 4.05Å; V27-I306 HydrophobicContact CG1-CG1 4.23Å; V27-I306 HydrophobicContact CG2-CD1 4.07Å; V27-L310 HydrophobicContact CG1-CD2 4.02Å
28G98Very high96.5Very high0 Ų017.2 Ų17.20%09%0.088CC..SBendtrans63.7-168.5173.400000115.9K26 F56 L57 P197K26-G28 VanDerWaalsContact CE-O 3.26Å; K26-G28 WeakPolarHBondContact CE-O 3.22Å; G28-F56 WeakPolarHBondContact O-CD1 3.43Å; G28-F56 WeakPolarHBondContact O-CE1 3.5Å; G28-L57 PolarHBondContact N-O 3.39Å; G28-P197 WeakPolarHBondContact CA-O 3.17Å
29G97Very high96.7Very high5 Ų517 Ų175%0.0529%0.087CC..SBendtrans67.4-148.4-170.700000113.6F56 L196 E198G29-F56 WeakPolarHBondContact O-CD1 3.28Å; G29-L196 PolarHBondContact N-O 3.29Å; G29-E198 WeakPolarHBondContact CA-OE1 3.28Å
30R96.6Very high96.9Very high29 Ų2916.3 Ų16.311%0.1098%0.083CC..SBendtrans-93.7149177.8-66.5179-179.676.52.6110.5K26 A32 P143 L187 L188 E190 L195K26-R30 PolarHBondContact NZ-O 2.95Å; R30-A32 PolarHBondContact O-N 3.48Å; R30-P143 PolarHBondContact NE-O 3.1Å; R30-P143 PolarHBondContact NH2-O 3.21Å; R30-L187 PolarHBondContact NH1-O 3.37Å; R30-L187 VanDerWaalsContact NH1-O 3.15Å; R30-L187 PolarHBondContact NH2-O 3.3Å; R30-L188 PolarHBondContact NH1-O 3.47Å; R30-E190 PolarHBondContact NH1-O 2.64Å; R30-E190 PolarHBondContact NH2-O 3Å; R30-E190 VanDerWaalsContact NH2-O 3.14Å; R30-L195 HydrophobicContact CG-CD1 4.02Å; R30-L195 HydrophobicContact CG-CD2 3.97Å
31P97.5Very high97.1Very high11 Ų1117.4 Ų17.47%0.0719%0.089CC..  trans-60.7128.8174.2-16.927.4000111.1W33 F56 F76 F78 C145P31-W33 VanDerWaalsContact C-N 3.27Å; P31-W33 HydrophobicContact CB-CD2 3.75Å; P31-W33 HydrophobicContact CB-CE3 4.09Å; P31-W33 HydrophobicContact CB-CG 4.25Å; P31-W33 HydrophobicContact CB-CH2 4.22Å; P31-W33 HydrophobicContact CB-CZ2 3.81Å; P31-W33 HydrophobicContact CB-CZ3 4.33Å; P31-W33 HydrophobicContact CG-CH2 4.21Å; P31-W33 HydrophobicContact CG-CZ2 3.66Å; P31-W33 PolarHBondContact O-N 3.29Å; P31-W33 VanDerWaalsContact O-N 3.16Å; P31-F56 HydrophobicContact CB-CD2 3.95Å; P31-F56 HydrophobicContact CB-CE2 4.21Å; P31-F56 HydrophobicContact CB-CG 4.34Å; P31-F56 HydrophobicContact CG-CB 3.87Å; P31-F56 HydrophobicContact CG-CD2 3.77Å; P31-F56 HydrophobicContact CG-CG 3.86Å; P31-F76 HydrophobicContact CB-CD1 4.32Å; P31-F78 HydrophobicContact CB-CZ 4.5Å; P31-F78 HydrophobicContact CG-CE1 3.94Å; P31-F78 HydrophobicContact CG-CZ 3.88Å; P31-C145 WeakPolarHBondContact CD-O 3.27Å
32A96.5Very high97.4Very high5 Ų517.1 Ų17.14%0.0419%0.089CC..  trans-85.477165.200000107.9S20 P24 K26 R30 Q59 F76S20-A32 VanDerWaalsContact OG-C 3.26Å; P24-A32 HydrophobicContact CG-CB 3.66Å; K26-A32 HydrophobicContact CD-CB 4.42Å; R30-A32 PolarHBondContact O-N 3.48Å; A32-Q59 PolarHBondContact O-NE2 3.28Å; A32-Q59 VanDerWaalsContact O-NE2 3.1Å; A32-F76 WeakPolarHBondContact O-CE1 3.44Å
33W97.8Very high97.5Very high3 Ų319.5 Ų19.51%0.01111%0.108CC..  trans-52.9139.7-176.4-65116.2000112.5S20 P31 L36 L39 P40 L45 F76 F78 Y108 G146 C147 Y347S20-W33 VanDerWaalsContact CB-O 3.24Å; S20-W33 WeakPolarHBondContact CB-O 3.49Å; S20-W33 PolarHBondContact OG-N 3.33Å; S20-W33 PolarHBondContact OG-O 2.98Å; P31-W33 VanDerWaalsContact C-N 3.27Å; P31-W33 HydrophobicContact CB-CD2 3.75Å; P31-W33 HydrophobicContact CB-CE3 4.09Å; P31-W33 HydrophobicContact CB-CG 4.25Å; P31-W33 HydrophobicContact CB-CH2 4.22Å; P31-W33 HydrophobicContact CB-CZ2 3.81Å; P31-W33 HydrophobicContact CB-CZ3 4.33Å; P31-W33 HydrophobicContact CG-CH2 4.21Å; P31-W33 HydrophobicContact CG-CZ2 3.66Å; P31-W33 PolarHBondContact O-N 3.29Å; P31-W33 VanDerWaalsContact O-N 3.16Å; W33-L36 HydrophobicContact CB-CD2 4.15Å; W33-L36 WeakPolarHBondContact O-CD2 3.37Å; W33-L39 HydrophobicContact CB-CD2 3.88Å; W33-L39 HydrophobicContact CD2-CD2 3.7Å; W33-L39 HydrophobicContact CE3-CD2 4.16Å; W33-L39 HydrophobicContact CG-CD1 4.32Å; W33-L39 HydrophobicContact CG-CD2 3.6Å; W33-P40 HydrophobicContact CH2-CG 4.25Å; W33-P40 HydrophobicContact CZ3-CG 4.34Å; W33-L45 HydrophobicContact CH2-CD1 4.46Å; W33-F76 HydrophobicContact CE3-CD1 4.15Å; W33-F76 HydrophobicContact CE3-CE1 4.07Å; W33-F76 HydrophobicContact CE3-CZ 4.35Å; W33-F76 HydrophobicContact CZ3-CD1 4.24Å; W33-F76 HydrophobicContact CZ3-CG 4.31Å; W33-F78 HydrophobicContact CH2-CE1 4.4Å; W33-F78 HydrophobicContact CH2-CE2 4.1Å; W33-F78 AromaticContact CH2-CZ 3.46Å; W33-F78 HydrophobicContact CH2-CZ 3.46Å; W33-F78 VanDerWaalsContact CH2-CZ 3.46Å; W33-F78 HydrophobicContact CZ2-CZ 4.11Å; W33-F78 HydrophobicContact CZ3-CE2 4.44Å; W33-F78 HydrophobicContact CZ3-CZ 4.1Å; W33-Y108 PolarHBondContact O-OH 2.82Å; W33-G146 PolarHBondContact NE1-O 2.82Å; W33-C147 HydrophobicContact CZ2-CB 4.45Å; W33-Y347 WeakPolarHBondContact CB-OH 3.33Å; W33-Y347 HydrophobicContact CE3-CD1 4.35Å; W33-Y347 AromaticContact CE3-CE1 3.42Å; W33-Y347 HydrophobicContact CE3-CE1 3.42Å; W33-Y347 VanDerWaalsContact CE3-CE1 3.42Å; W33-Y347 AromaticContact CE3-CZ 3.55Å; W33-Y347 HydrophobicContact CZ3-CD1 4.08Å; W33-Y347 AromaticContact CZ3-CE1 3.57Å; W33-Y347 HydrophobicContact CZ3-CE1 3.57Å
34L98.1Very high97.5Very high1 Ų121.3 Ų21.31%0.00512%0.117CC..SBendtrans-83.6-74.2175.4-17865.3000111.2F23 L36 H72 M74 F76 L101 Y108 Y347F23-L34 HydrophobicContact CD1-CD1 3.92Å; F23-L34 HydrophobicContact CE1-CD1 3.77Å; L34-L36 WeakPolarHBondContact O-CD2 3.43Å; L34-L36 WeakPolarHBondContact O-CG 3.34Å; L34-L36 PolarHBondContact O-N 3Å; L34-H72 HydrophobicContact CD1-CB 3.75Å; L34-H72 HydrophobicContact CD2-CB 4.11Å; L34-M74 HydrophobicContact CB-CB 4.21Å; L34-M74 HydrophobicContact CB-CG 4.14Å; L34-M74 HydrophobicContact CD1-CG 4.39Å; L34-M74 HydrophobicContact CD2-CB 4.06Å; L34-M74 HydrophobicContact CD2-CG 4.07Å; L34-M74 HydrophobicContact CG-CG 4.42Å; L34-F76 HydrophobicContact CB-CE2 4.4Å; L34-F76 HydrophobicContact CB-CZ 4.19Å; L34-L101 HydrophobicContact CD1-CD1 3.89Å; L34-L101 HydrophobicContact CD2-CD1 4.35Å; L34-L101 HydrophobicContact CD2-CG 4.19Å; L34-L101 HydrophobicContact CG-CD1 3.71Å; L34-L101 HydrophobicContact CG-CG 4.07Å; L34-Y108 WeakPolarHBondContact CA-OH 3.48Å; L34-Y108 HydrophobicContact CD1-CE2 3.85Å; L34-Y108 WeakPolarHBondContact O-CE2 3.23Å; L34-Y108 PolarHBondContact O-OH 3.12Å; L34-Y347 PolarHBondContact N-OH 3.04Å
35A98.1Very high97.6Very high1 Ų121.1 Ų21.11%0.00812%0.115CC..SBendtrans-77.2126.6174.200000110.5L39 L101 Y107 E346 Y347A35-L39 VanDerWaalsContact O-CD2 3.23Å; A35-L39 WeakPolarHBondContact O-CD2 3.49Å; A35-L101 HydrophobicContact CB-CD2 4.27Å; A35-Y107 HydrophobicContact CB-CD2 4.38Å; A35-Y107 HydrophobicContact CB-CE2 3.78Å; A35-E346 HydrophobicContact CB-CB 3.57Å; A35-E346 HydrophobicContact CB-CG 4Å; A35-Y347 HydrophobicContact CB-CE2 3.98Å; A35-Y347 PolarHBondContact N-OH 2.77Å; A35-Y347 WeakPolarHBondContact O-CE2 3.35Å; A35-Y347 PolarHBondContact O-OH 3.45Å
36L97.3Very high97.6Very high0 Ų023.1 Ų23.10%012%0.123CC..  trans-97-12.9-161.2-59.7-178000114.9W33 L34 Y107 P133 S135 Y138W33-L36 HydrophobicContact CB-CD2 4.15Å; W33-L36 WeakPolarHBondContact O-CD2 3.37Å; L34-L36 WeakPolarHBondContact O-CD2 3.43Å; L34-L36 WeakPolarHBondContact O-CG 3.34Å; L34-L36 PolarHBondContact O-N 3Å; L36-Y107 HydrophobicContact CB-CD1 3.72Å; L36-Y107 HydrophobicContact CB-CE1 3.98Å; L36-Y107 HydrophobicContact CB-CG 4.18Å; L36-Y107 HydrophobicContact CD1-CD1 4.25Å; L36-Y107 HydrophobicContact CD1-CG 4.32Å; L36-Y107 HydrophobicContact CG-CD1 4.07Å; L36-Y107 HydrophobicContact CG-CG 4.06Å; L36-P133 HydrophobicContact CD1-CB 3.49Å; L36-P133 VanDerWaalsContact CD1-CB 3.49Å; L36-S135 WeakPolarHBondContact O-CA 3.41Å; L36-S135 WeakPolarHBondContact O-CB 3.23Å; L36-Y138 HydrophobicContact CB-CD2 3.8Å; L36-Y138 HydrophobicContact CB-CE2 3.73Å; L36-Y138 HydrophobicContact CD1-CE2 4.38Å
37Q97.1Very high97.5Very high77 Ų7723 Ų2336%0.3612%0.122SC..SBendtrans-99.7-51.7-170.7-175.6168.4-5.900113L39 Y107 Y138Q37-L39 PolarHBondContact O-N 3.11Å; Q37-Y107 HydrophobicContact CB-CE1 3.98Å; Q37-Y107 VanDerWaalsContact CB-OH 3.24Å; Q37-Y107 WeakPolarHBondContact CB-OH 3.2Å; Q37-Y138 HydrophobicContact CB-CD1 3.96Å; Q37-Y138 HydrophobicContact CB-CG 3.97Å; Q37-Y138 HydrophobicContact CG-CD1 3.96Å; Q37-Y138 HydrophobicContact CG-CG 4.21Å
38H97.3Very high97.4Very high52 Ų5225.3 Ų25.324%0.24114%0.137CC..SBendtrans-102.355.8-173.5-56.7-74.9000111.7E346 Y347H38-E346 WeakPolarHBondContact CA-OE2 3.3Å; H38-E346 HydrophobicContact CB-CB 4.23Å; H38-E346 HydrophobicContact CB-CG 3.93Å; H38-E346 VanDerWaalsContact CB-OE2 3.28Å; H38-E346 WeakPolarHBondContact CB-OE2 3.34Å; H38-E346 IonicContact CD2-OE2 2.83Å; H38-E346 PolarHBondContact CD2-OE2 3.19Å; H38-E346 IonicContact CG-OE2 3.74Å; H38-E346 PolarHBondContact N-OE2 2.99Å; H38-Y347 WeakPolarHBondContact O-CD2 3.27Å
39L98.1Very high97.3Very high4 Ų427.5 Ų27.52%0.02115%0.15CC..PPolyproline II helixtrans-58.8151.5174.8-59.3-173.6000112.5W33 A35 Q37 I141 K148 Y347W33-L39 HydrophobicContact CB-CD2 3.88Å; W33-L39 HydrophobicContact CD2-CD2 3.7Å; W33-L39 HydrophobicContact CE3-CD2 4.16Å; W33-L39 HydrophobicContact CG-CD1 4.32Å; W33-L39 HydrophobicContact CG-CD2 3.6Å; A35-L39 VanDerWaalsContact O-CD2 3.23Å; A35-L39 WeakPolarHBondContact O-CD2 3.49Å; Q37-L39 PolarHBondContact O-N 3.11Å; L39-I141 HydrophobicContact CD1-CD1 3.64Å; L39-K148 HydrophobicContact CB-CB 4.09Å; L39-K148 HydrophobicContact CB-CD 4.31Å; L39-K148 HydrophobicContact CD1-CB 4.39Å; L39-Y347 HydrophobicContact CD2-CE2 3.78Å
40P97.8Very high97.2Very high4 Ų428.9 Ų28.93%0.02616%0.159CC..PPolyproline II helixtrans-54.2129.8174.1-23.933.7000111W33 L45 F97 Y347W33-P40 HydrophobicContact CH2-CG 4.25Å; W33-P40 HydrophobicContact CZ3-CG 4.34Å; P40-L45 HydrophobicContact CB-CD1 4.1Å; P40-L45 HydrophobicContact CB-CG 4.2Å; P40-F97 HydrophobicContact CB-CE1 4.34Å; P40-F97 HydrophobicContact CB-CZ 4.39Å; P40-F97 HydrophobicContact CG-CD1 4.27Å; P40-F97 HydrophobicContact CG-CE1 4.3Å; P40-Y347 HydrophobicContact CG-CD1 4.11Å; P40-Y347 HydrophobicContact CG-CD2 4.23Å; P40-Y347 HydrophobicContact CG-CG 3.75Å
41P97.3Very high97.2Very high41 Ų4133.1 Ų33.127%0.26618%0.183SC..PPolyproline II helixtrans-67.8156.3178.229.4-35.2000110.8S43 E44P41-S43 PolarHBondContact O-N 3.31Å; P41-E44 WeakPolarHBondContact CD-OE1 3.26Å; P41-E44 HydrophobicContact CG-CB 4.23Å; P41-E44 HydrophobicContact CG-CG 3.85Å; P41-E44 VanDerWaalsContact CG-OE1 3.3Å; P41-E44 WeakPolarHBondContact CG-OE1 3.47Å; P41-E44 PolarHBondContact O-N 3.38Å
42P98.3Very high97.2Very high10 Ų1035.8 Ų35.87%0.06520%0.197CC..G310 helixtrans-52.8-30.6177.5-32.339.5000114.9E44 L45 K46 K148 D150 C162P42-E44 VanDerWaalsContact C-N 3.25Å; P42-E44 PolarHBondContact O-N 3.1Å; P42-L45 PolarHBondContact O-N 3.04Å; P42-K46 WeakPolarHBondContact O-CG 3.48Å; P42-K148 VanDerWaalsContact CG-O 3.26Å; P42-K148 WeakPolarHBondContact CG-O 3.26Å; P42-D150 HydrophobicContact CG-CB 4.25Å; P42-C162 HydrophobicContact CB-CB 4.06Å; P42-C162 WeakPolarHBondContact CB-O 3.4Å; P42-C162 HydrophobicContact CG-CB 3.85Å
43S97Very high97.3Very high80 Ų8036.3 Ų36.356%0.55920%0.199SC*.G310 helixtrans-61.5-30.9175.548.90000113.6P41P41-S43 PolarHBondContact O-N 3.31Å
44E96.9Very high97.4Very high76 Ų7636.2 Ų36.236%0.35520%0.199SC..G310 helixtrans-85.9-13.4-179.5-73.8179.1-140.300113.3P41 P42 Y95 F97 R349P41-E44 WeakPolarHBondContact CD-OE1 3.26Å; P41-E44 HydrophobicContact CG-CB 4.23Å; P41-E44 HydrophobicContact CG-CG 3.85Å; P41-E44 VanDerWaalsContact CG-OE1 3.3Å; P41-E44 WeakPolarHBondContact CG-OE1 3.47Å; P41-E44 PolarHBondContact O-N 3.38Å; P42-E44 VanDerWaalsContact C-N 3.25Å; P42-E44 PolarHBondContact O-N 3.1Å; E44-Y95 WeakPolarHBondContact O-CD2 3.3Å; E44-Y95 VanDerWaalsContact O-CE2 3.26Å; E44-Y95 WeakPolarHBondContact O-CE2 3.32Å; E44-F97 HydrophobicContact CB-CZ 4.37Å; E44-R349 PolarHBondContact O-NH2 2.92Å
45L98Very high97.4Very high6 Ų636.2 Ų36.23%0.03120%0.199CC..G310 helixtrans-108.823.2-179.8-69.7171.6000112.8W33 P40 P42 M54 F78 F97 C147W33-L45 HydrophobicContact CH2-CD1 4.46Å; P40-L45 HydrophobicContact CB-CD1 4.1Å; P40-L45 HydrophobicContact CB-CG 4.2Å; P42-L45 PolarHBondContact O-N 3.04Å; L45-M54 PolarHBondContact O-N 3.45Å; L45-F78 HydrophobicContact CD1-CE1 4.47Å; L45-F78 HydrophobicContact CD2-CB 4.46Å; L45-F78 HydrophobicContact CD2-CD1 3.92Å; L45-F78 HydrophobicContact CD2-CD2 3.78Å; L45-F78 HydrophobicContact CD2-CE1 4.09Å; L45-F78 HydrophobicContact CD2-CE2 3.94Å; L45-F78 HydrophobicContact CD2-CG 3.78Å; L45-F78 HydrophobicContact CD2-CZ 4.12Å; L45-F97 HydrophobicContact CD2-CD2 4.35Å; L45-F97 HydrophobicContact CD2-CE2 3.58Å; L45-F97 HydrophobicContact CD2-CZ 4.21Å; L45-C147 HydrophobicContact CD1-CB 4.13Å
46K97.6Very high97.4Very high79 Ų7936.4 Ų36.434%0.34320%0.2SC..BIsolated β-bridgetrans-91.5141171.6-72.6174.4-174.5177.10110.5P42 L51 N52 Y95P42-K46 WeakPolarHBondContact O-CG 3.48Å; K46-L51 WeakPolarHBondContact CD-O 3.46Å; K46-L51 VanDerWaalsContact CG-O 3.3Å; K46-L51 WeakPolarHBondContact CG-O 3.2Å; K46-N52 WeakPolarHBondContact CA-O 3.3Å; K46-Y95 VanDerWaalsContact O-CE2 3.24Å; K46-Y95 WeakPolarHBondContact O-CE2 3.37Å; K46-Y95 PolarHBondContact O-OH 3.11Å
47C97.7Very high97.4Very high0 Ų036.4 Ų36.40%020%0.2CC..  trans-59.3134.4170.4175.70000109.7V49 L51 N52 M54 C80C47-V49 PolarHBondContact O-N 3.04Å; C47-V49 PolarHBondContact SG-N 3.19Å; C47-V49 VanDerWaalsContact SG-N 3.41Å; C47-L51 WeakPolarHBondContact O-CA 3.49Å; C47-L51 PolarHBondContact O-N 2.78Å; C47-N52 PolarHBondContact N-O 2.92Å; C47-M54 HydrophobicContact CB-CG 4Å; C47-M54 HydrophobicContact CB-SD 4.28Å; C47-C80 HydrophobicContact CB-CB 3.93Å
48P94.9Very high97.5Very high47 Ų4732.7 Ų32.731%0.30518%0.183SC..THydrogen-bonded Turntrans-66.3-20.3179.425.9-33000113.1Y95P48-Y95 WeakPolarHBondContact CD-OH 3.36Å
49V95.8Very high97.6Very high46 Ų4630.2 Ų30.228%0.27917%0.171SC..THydrogen-bonded Turntrans-90.9-62.4-177.8-1760000111.4C47 C85 K88 H91C47-V49 PolarHBondContact O-N 3.04Å; C47-V49 PolarHBondContact SG-N 3.19Å; C47-V49 VanDerWaalsContact SG-N 3.41Å; V49-C85 HydrophobicContact CB-CB 4.11Å; V49-C85 HydrophobicContact CG1-CB 4.38Å; V49-C85 HydrophobicContact CG2-CB 4.27Å; V49-K88 HydrophobicContact CG1-CG 4.03Å; V49-K88 HydrophobicContact CG2-CG 4.41Å; V49-H91 HydrophobicContact CG2-CB 3.46Å; V49-H91 VanDerWaalsContact CG2-CB 3.46Å
50C96.4Very high97.6Very high34 Ų3430.3 Ų30.323%0.2317%0.171CC..THydrogen-bonded Turntrans-96.9-3.9-172.870.60000114.2N52 C80 C85C50-N52 PolarHBondContact O-N 3.4Å; C50-C80 PolarHBondContact SG-SG 2.66Å; C50-C85 VanDerWaalsContact SG-SG 3.65Å
51L96.7Very high97.6Very high118 Ų11832.3 Ų32.362%0.61818%0.179SC*.  trans60.63.8-179.6-51.7177.7000115.7K46 C47K46-L51 WeakPolarHBondContact CD-O 3.46Å; K46-L51 VanDerWaalsContact CG-O 3.3Å; K46-L51 WeakPolarHBondContact CG-O 3.2Å; C47-L51 WeakPolarHBondContact O-CA 3.49Å; C47-L51 PolarHBondContact O-N 2.78Å
52N97.6Very high97.5Very high68 Ų6830.5 Ų30.536%0.36417%0.167SC..PPolyproline II helixtrans-73.6152.2172.4-70.6-34.3000110.8K46 C47 C50 M54 M165K46-N52 WeakPolarHBondContact CA-O 3.3Å; C47-N52 PolarHBondContact N-O 2.92Å; C50-N52 PolarHBondContact O-N 3.4Å; N52-M54 PolarHBondContact O-N 3.17Å; N52-M165 HydrophobicContact CB-CE 4.44Å; N52-M165 HydrophobicContact CB-SD 3.99Å
53P98.3Very high97.4Very high15 Ų1531.5 Ų31.510%0.09717%0.174CC..BIsolated β-bridgetrans-53.4137.1171.1-2330.6000112.1S163 M165 F194P53-S163 VanDerWaalsContact CG-CB 3.41Å; P53-S163 VanDerWaalsContact CG-OG 3.23Å; P53-S163 WeakPolarHBondContact CG-OG 3.35Å; P53-M165 HydrophobicContact CB-CE 4.32Å; P53-M165 HydrophobicContact CG-CE 3.99Å; P53-F194 HydrophobicContact CB-CZ 4.25Å
54M98.2Very high97.4Very high2 Ų228.3 Ų28.31%0.0115%0.15CC..PPolyproline II helixtrans-83.9146.9171.2-64.4-161.5-55.700110.7L45 C47 N52 F78 M79 C80 Y95L45-M54 PolarHBondContact O-N 3.45Å; C47-M54 HydrophobicContact CB-CG 4Å; C47-M54 HydrophobicContact CB-SD 4.28Å; N52-M54 PolarHBondContact O-N 3.17Å; M54-F78 HydrophobicContact CB-CB 4.12Å; M54-F78 HydrophobicContact CE-CB 3.97Å; M54-M79 CarbonylContact C-O 3.55Å; M54-M79 VanDerWaalsContact CA-O 3.31Å; M54-M79 WeakPolarHBondContact CA-O 3.33Å; M54-M79 VanDerWaalsContact CB-O 3.27Å; M54-M79 WeakPolarHBondContact CB-O 3.41Å; M54-C80 HydrophobicContact CG-CB 4.47Å; M54-Y95 HydrophobicContact CE-CD1 4.32Å; M54-Y95 HydrophobicContact CE-CD2 2.99Å; M54-Y95 HydrophobicContact CE-CE2 3.5Å; M54-Y95 VanDerWaalsContact CE-CE2 3.5Å; M54-Y95 HydrophobicContact CE-CG 3.44Å; M54-Y95 VanDerWaalsContact CE-CG 3.44Å; M54-Y95 HydrophobicContact SD-CD2 4.45Å
55C98.1Very high97Very high1 Ų130.2 Ų30.21%0.00717%0.172CC..EExtended strand (participates in β ladder)trans-87.1155.3174650000110.1F78 M79 R81 F194C55-F78 CarbonylContact O-C 3.55Å; C55-F78 VanDerWaalsContact O-CA 3.23Å; C55-F78 WeakPolarHBondContact O-CA 3.24Å; C55-M79 PolarHBondContact N-O 2.95Å; C55-M79 PolarHBondContact O-N 3.25Å; C55-M79 PolarHBondContact SG-O 2.87Å; C55-R81 HydrophobicContact CB-CG 4.12Å; C55-R81 WeakPolarHBondContact SG-CG 3.39Å; C55-F194 HydrophobicContact CB-CD1 4.38Å; C55-F194 HydrophobicContact CB-CE1 3.72Å; C55-F194 HydrophobicContact CB-CE2 4.39Å; C55-F194 HydrophobicContact CB-CZ 3.74Å
56F98.6Very high96.7Very high4 Ų435.5 Ų35.52%0.01820%0.196CC..EExtended strand (participates in β ladder)trans-68.8128.5171.5175.3-107.9000109.4K26 G28 G29 P31 L58 Q59 F76 F78 L196K26-F56 HydrophobicContact CD-CE1 4.3Å; K26-F56 HydrophobicContact CG-CE1 4.26Å; K26-F56 HydrophobicContact CG-CZ 4.31Å; G28-F56 WeakPolarHBondContact O-CD1 3.43Å; G28-F56 WeakPolarHBondContact O-CE1 3.5Å; G29-F56 WeakPolarHBondContact O-CD1 3.28Å; P31-F56 HydrophobicContact CB-CD2 3.95Å; P31-F56 HydrophobicContact CB-CE2 4.21Å; P31-F56 HydrophobicContact CB-CG 4.34Å; P31-F56 HydrophobicContact CG-CB 3.87Å; P31-F56 HydrophobicContact CG-CD2 3.77Å; P31-F56 HydrophobicContact CG-CG 3.86Å; F56-L58 WeakPolarHBondContact CE2-O 3.19Å; F56-L58 WeakPolarHBondContact CZ-O 3.34Å; F56-Q59 HydrophobicContact CE2-CB 3.87Å; F56-Q59 HydrophobicContact CE2-CG 4.37Å; F56-Q59 HydrophobicContact CZ-CB 3.67Å; F56-Q59 HydrophobicContact CZ-CG 3.73Å; F56-F76 HydrophobicContact CE2-CD1 4.05Å; F56-F78 HydrophobicContact CB-CD1 4.28Å; F56-F78 HydrophobicContact CB-CE1 3.98Å; F56-F78 HydrophobicContact CD2-CE1 4.15Å; F56-F78 HydrophobicContact CD2-CZ 4.07Å; F56-L196 WeakPolarHBondContact O-CD1 3.31Å
57L98.7Very high96.5Very high0 Ų034.5 Ų34.50%019%0.192CC..EExtended strand (participates in β ladder)trans-97.6-56.3179.1174.254.8000110.9V27 G28 L77 M79 F94 L196 I306 L310 L325V27-L57 CarbonylContact C-O 3.57Å; V27-L57 WeakPolarHBondContact CA-O 3.49Å; G28-L57 PolarHBondContact N-O 3.39Å; L57-L77 HydrophobicContact CB-CB 4.42Å; L57-L77 WeakPolarHBondContact CB-O 3.41Å; L57-L77 HydrophobicContact CD2-CD2 3.81Å; L57-L77 HydrophobicContact CD2-CG 4.22Å; L57-L77 HydrophobicContact CG-CD2 4.47Å; L57-L77 PolarHBondContact N-O 3.18Å; L57-M79 HydrophobicContact CB-CB 4.49Å; L57-M79 HydrophobicContact CB-CG 4.21Å; L57-M79 HydrophobicContact CB-SD 4.43Å; L57-M79 HydrophobicContact CD1-SD 3.86Å; L57-M79 HydrophobicContact CD2-CB 4.39Å; L57-M79 HydrophobicContact CD2-SD 4.17Å; L57-M79 HydrophobicContact CG-SD 4.38Å; L57-F94 HydrophobicContact CD2-CD1 4.21Å; L57-F94 HydrophobicContact CD2-CE1 3.99Å; L57-L196 HydrophobicContact CD1-CD1 3.89Å; L57-I306 HydrophobicContact CD1-CD1 4.24Å; L57-L310 HydrophobicContact CD1-CD1 3.79Å; L57-L310 HydrophobicContact CD1-CD2 3.68Å; L57-L310 HydrophobicContact CD1-CG 4.39Å; L57-L325 HydrophobicContact CD2-CD1 4.08Å
58L98.8Very high96.3Very high0 Ų039.7 Ų39.70%023%0.226CC..EExtended strand (participates in β ladder)trans-161.4165.3179.962.184.7000111.4K26 V27 F56 I60 L77 I268 F300 V302 I306K26-L58 CarbonylContact O-C 3.6Å; K26-L58 WeakPolarHBondContact O-CA 3.19Å; K26-L58 VanDerWaalsContact O-CB 3.29Å; K26-L58 WeakPolarHBondContact O-CB 3.45Å; V27-L58 HydrophobicContact CG2-CB 4.22Å; F56-L58 WeakPolarHBondContact CE2-O 3.19Å; F56-L58 WeakPolarHBondContact CZ-O 3.34Å; L58-I60 HydrophobicContact CD1-CD1 4.18Å; L58-I60 HydrophobicContact CD1-CG1 4.03Å; L58-L77 HydrophobicContact CD1-CB 3.94Å; L58-L77 HydrophobicContact CD1-CD2 4.32Å; L58-L77 HydrophobicContact CD2-CD2 4.19Å; L58-L77 HydrophobicContact CG-CB 3.91Å; L58-L77 HydrophobicContact CG-CD2 4.11Å; L58-L77 PolarHBondContact N-O 2.81Å; L58-L77 PolarHBondContact O-N 3.4Å; L58-I268 HydrophobicContact CD2-CD1 3.77Å; L58-F300 HydrophobicContact CD1-CE2 4.13Å; L58-F300 HydrophobicContact CD1-CZ 4.15Å; L58-V302 HydrophobicContact CD2-CG1 4.25Å; L58-V302 HydrophobicContact CD2-CG2 4.06Å; L58-I306 HydrophobicContact CD2-CD1 3.66Å
59Q98.6Very high96.3Very high0 Ų039 Ų390%022%0.22CC..EExtended strand (participates in β ladder)trans-138.8150.6165.867.5-172.371.800111.7P24 K26 A32 F56 L75 F76P24-Q59 WeakPolarHBondContact O-CG 3.43Å; P24-Q59 PolarHBondContact O-NE2 3.46Å; P24-Q59 VanDerWaalsContact O-NE2 3.14Å; K26-Q59 HydrophobicContact CD-CG 4.24Å; K26-Q59 HydrophobicContact CG-CG 3.58Å; K26-Q59 PolarHBondContact N-O 2.79Å; K26-Q59 VanDerWaalsContact N-O 3.14Å; K26-Q59 PolarHBondContact O-N 3.04Å; A32-Q59 PolarHBondContact O-NE2 3.28Å; A32-Q59 VanDerWaalsContact O-NE2 3.1Å; F56-Q59 HydrophobicContact CE2-CB 3.87Å; F56-Q59 HydrophobicContact CE2-CG 4.37Å; F56-Q59 HydrophobicContact CZ-CB 3.67Å; F56-Q59 HydrophobicContact CZ-CG 3.73Å; Q59-L75 CarbonylContact C-O 3.45Å; Q59-L75 WeakPolarHBondContact CA-O 3.24Å; Q59-L75 VanDerWaalsContact CB-O 3.25Å; Q59-L75 WeakPolarHBondContact CB-O 3.49Å; Q59-F76 HydrophobicContact CB-CD1 3.84Å; Q59-F76 HydrophobicContact CB-CE1 4.1Å; Q59-F76 HydrophobicContact CB-CG 4.41Å
60I98.3Very high96.3Very high5 Ų536.8 Ų36.83%0.02621%0.206CC..EExtended strand (participates in β ladder)trans-130.8128.3179.6-59.1176.3000109.9D25 L58 S62 M74 L75 L201 I268 F270 F300D25-I60 WeakPolarHBondContact OD1-CA 3.42Å; L58-I60 HydrophobicContact CD1-CD1 4.18Å; L58-I60 HydrophobicContact CD1-CG1 4.03Å; I60-S62 PolarHBondContact O-N 3.16Å; I60-M74 CarbonylContact O-C 3.44Å; I60-M74 WeakPolarHBondContact O-CA 3.47Å; I60-L75 PolarHBondContact N-O 3.42Å; I60-L75 PolarHBondContact O-N 3.37Å; I60-L201 HydrophobicContact CD1-CD2 4.25Å; I60-L201 HydrophobicContact CG1-CD2 3.88Å; I60-I268 HydrophobicContact CD1-CD1 4.3Å; I60-I268 HydrophobicContact CD1-CG2 4.02Å; I60-F270 HydrophobicContact CG2-CD2 4.45Å; I60-F300 HydrophobicContact CD1-CD1 3.96Å; I60-F300 HydrophobicContact CD1-CD2 3.84Å; I60-F300 HydrophobicContact CD1-CE1 3.94Å; I60-F300 HydrophobicContact CD1-CE2 3.81Å; I60-F300 HydrophobicContact CD1-CG 3.91Å; I60-F300 HydrophobicContact CD1-CZ 3.85Å
61Y97.4Very high96.4Very high47 Ų4739.3 Ų39.318%0.18421%0.213CC..EExtended strand (participates in β ladder)trans-79.7107.1168-173.6-111.9000109.6M1 F23 D25 P63 F71 H72 M74M1-Y61 WeakPolarHBondContact CE-O 3.39Å; F23-Y61 HydrophobicContact CB-CD2 4.08Å; F23-Y61 HydrophobicContact CB-CE2 4.19Å; F23-Y61 HydrophobicContact CB-CG 4.5Å; F23-Y61 HydrophobicContact CD1-CE2 4.41Å; F23-Y61 HydrophobicContact CG-CE2 4.45Å; D25-Y61 PolarHBondContact OD1-N 2.97Å; Y61-P63 HydrophobicContact CD1-CG 4.19Å; Y61-P63 HydrophobicContact CE1-CB 4.28Å; Y61-P63 HydrophobicContact CE1-CG 3.72Å; Y61-P63 WeakPolarHBondContact O-CD 3.38Å; Y61-F71 PolarHBondContact OH-O 3.1Å; Y61-H72 HydrophobicContact CE2-CB 4.06Å; Y61-H72 AromaticContact CE2-ND1 3.64Å; Y61-H72 AromaticContact CZ-ND1 3.72Å; Y61-H72 PolarHBondContact OH-ND1 2.94Å; Y61-M74 WeakPolarHBondContact CA-SD 3.33Å; Y61-M74 HydrophobicContact CD2-CE 3.7Å; Y61-M74 HydrophobicContact CD2-CG 4.05Å; Y61-M74 HydrophobicContact CD2-SD 3.88Å; Y61-M74 HydrophobicContact CG-CE 4.16Å; Y61-M74 HydrophobicContact CG-SD 4.3Å; Y61-M74 PolarHBondContact N-SD 3.3Å
62S96.1Very high96.4Very high2 Ų234.3 Ų34.31%0.01419%0.187CC..  trans-130.871-172.2-174.10000110.6I60 R73 F270 E299I60-S62 PolarHBondContact O-N 3.16Å; S62-R73 CarbonylContact C-O 3.15Å; S62-R73 PolarHBondContact N-O 2.97Å; S62-R73 VanDerWaalsContact O-CB 3.31Å; S62-R73 WeakPolarHBondContact O-CB 3.19Å; S62-R73 WeakPolarHBondContact O-CD 3.4Å; S62-R73 WeakPolarHBondContact O-CG 3.26Å; S62-R73 PolarHBondContact O-NH1 2.8Å; S62-R73 PolarHBondContact OG-NH1 3.18Å; S62-F270 VanDerWaalsContact OG-CE2 3.24Å; S62-F270 WeakPolarHBondContact OG-CE2 3.23Å; S62-F270 WeakPolarHBondContact OG-CZ 3.24Å; S62-E299 PolarHBondContact OG-OE1 2.78Å
63P96.2Very high96.4Very high32 Ų3231 Ų3121%0.20817%0.169CC..  trans-68.4152.4-179.531.4-37.1000111.9Y61 C70 F71Y61-P63 HydrophobicContact CD1-CG 4.19Å; Y61-P63 HydrophobicContact CE1-CB 4.28Å; Y61-P63 HydrophobicContact CE1-CG 3.72Å; Y61-P63 WeakPolarHBondContact O-CD 3.38Å; P63-C70 WeakPolarHBondContact CA-O 3.48Å; P63-F71 WeakPolarHBondContact CB-O 3.47Å
64L95.5Very high96.4Very high12 Ų1230.4 Ų30.46%0.06317%0.165CC..  trans-117.9108.8175.9-58.9177.7000109.7E66 K67 C70 S333L64-E66 PolarHBondContact O-N 2.87Å; L64-K67 HydrophobicContact CB-CB 4.49Å; L64-K67 PolarHBondContact O-N 2.97Å; L64-K67 VanDerWaalsContact O-N 3.12Å; L64-C70 HydrophobicContact CB-CB 3.69Å; L64-C70 HydrophobicContact CD1-CB 4.37Å; L64-C70 HydrophobicContact CG-CB 4.22Å; L64-C70 PolarHBondContact N-O 3.45Å; L64-S333 WeakPolarHBondContact CD1-OG 3.24Å
65S90.1Very high96.4Very high117 Ų11730.3 Ų30.382%0.81817%0.165SC*.THydrogen-bonded Turntrans-58.8-31.2-175.136.60000113.9K67S65-K67 VanDerWaalsContact C-N 3.27Å; S65-K67 PolarHBondContact O-N 2.97Å
66E90.9Very high96.5Very high116 Ų11630.3 Ų30.354%0.54217%0.165SC..THydrogen-bonded Turntrans-78.4-8-177.762.3-81.8-173.700113.4L64L64-E66 PolarHBondContact O-N 2.87Å
67K93.2Very high96.5Very high59 Ų5930.1 Ų30.126%0.25716%0.164SC..  trans-128.8111.4-176-81.7-175.5173166.50112.4L64 S65 D69 C70 N332L64-K67 HydrophobicContact CB-CB 4.49Å; L64-K67 PolarHBondContact O-N 2.97Å; L64-K67 VanDerWaalsContact O-N 3.12Å; S65-K67 VanDerWaalsContact C-N 3.27Å; S65-K67 PolarHBondContact O-N 2.97Å; K67-D69 VanDerWaalsContact C-N 3.25Å; K67-D69 PolarHBondContact O-N 2.94Å; K67-C70 HydrophobicContact CB-CB 3.78Å; K67-C70 WeakPolarHBondContact O-CA 3.44Å; K67-C70 WeakPolarHBondContact O-CB 3.23Å; K67-C70 PolarHBondContact O-N 3.22Å; K67-N332 VanDerWaalsContact NZ-C 3.28Å; K67-N332 PolarHBondContact NZ-O 2.75Å
68P94Very high96.5Very high109 Ų10930.1 Ų30.171%0.70816%0.164SC*.G310 helixtrans-58.3-33-178.4-2735.1000114.6C70 F71 S102P68-C70 PolarHBondContact O-N 3.41Å; P68-F71 PolarHBondContact O-N 3.47Å; P68-S102 VanDerWaalsContact O-CA 3.28Å; P68-S102 WeakPolarHBondContact O-CA 3.47Å
69D94.9Very high96.5Very high32 Ų3230.1 Ų30.117%0.17116%0.164CC..G310 helixtrans-78.5-7.1176.969.3-49.8000113.3K67 Q100 L101K67-D69 VanDerWaalsContact C-N 3.25Å; K67-D69 PolarHBondContact O-N 2.94Å; D69-Q100 WeakPolarHBondContact O-CB 3.34Å; D69-Q100 WeakPolarHBondContact O-CG 3.49Å; D69-Q100 PolarHBondContact OD2-NE2 3.14Å; D69-L101 CarbonylContact O-C 3.58Å; D69-L101 PolarHBondContact O-N 2.94Å
70C96.6Very high96.4Very high0 Ų030.2 Ų30.20%016%0.164CC..G310 helixtrans-105.117.3173.9-61.90000112.5P63 L64 K67 P68 H72 R73 Q100P63-C70 WeakPolarHBondContact CA-O 3.48Å; L64-C70 HydrophobicContact CB-CB 3.69Å; L64-C70 HydrophobicContact CD1-CB 4.37Å; L64-C70 HydrophobicContact CG-CB 4.22Å; L64-C70 PolarHBondContact N-O 3.45Å; K67-C70 HydrophobicContact CB-CB 3.78Å; K67-C70 WeakPolarHBondContact O-CA 3.44Å; K67-C70 WeakPolarHBondContact O-CB 3.23Å; K67-C70 PolarHBondContact O-N 3.22Å; P68-C70 PolarHBondContact O-N 3.41Å; C70-H72 VanDerWaalsContact C-N 3.32Å; C70-H72 PolarHBondContact O-N 2.87Å; C70-R73 HydrophobicContact CB-CB 4.35Å; C70-Q100 PolarHBondContact SG-NE2 3.31Å; C70-Q100 PolarHBondContact SG-OE1 3.22Å; C70-Q100 VanDerWaalsContact SG-OE1 3.32Å
71F96.7Very high96.3Very high86 Ų8633.5 Ų33.538%0.37718%0.177SC..SBendtrans-56.4-48.1178.3180-91.4000111.2Y61 P63 P68 L101 R103Y61-F71 PolarHBondContact OH-O 3.1Å; P63-F71 WeakPolarHBondContact CB-O 3.47Å; P68-F71 PolarHBondContact O-N 3.47Å; F71-L101 PolarHBondContact N-O 3.22Å; F71-R103 HydrophobicContact CB-CB 4.18Å; F71-R103 HydrophobicContact CD1-CB 3.66Å; F71-R103 HydrophobicContact CD1-CG 3.95Å; F71-R103 HydrophobicContact CD2-CB 3.96Å; F71-R103 HydrophobicContact CD2-CG 4.4Å; F71-R103 HydrophobicContact CE1-CB 3.99Å; F71-R103 HydrophobicContact CE1-CG 3.72Å; F71-R103 HydrophobicContact CE2-CB 4.27Å; F71-R103 HydrophobicContact CE2-CG 4.2Å; F71-R103 HydrophobicContact CG-CB 3.64Å; F71-R103 HydrophobicContact CG-CG 4.28Å; F71-R103 HydrophobicContact CZ-CB 4.28Å; F71-R103 HydrophobicContact CZ-CG 3.86Å
72H97.2Very high96.1Very high13 Ų1334 Ų346%0.0618%0.182CC..EExtended strand (participates in β ladder)trans-103.9122.1159.4-60.4-58.8000108F23 L34 Y61 C70 Q100 L101F23-H72 AromaticContact CD1-ND1 3.9Å; F23-H72 AromaticContact CE1-CE1 3.72Å; F23-H72 AromaticContact CE1-CG 3.88Å; F23-H72 AromaticContact CE1-ND1 3.69Å; F23-H72 AromaticContact CE1-NE2 3.96Å; F23-H72 AromaticContact CE2-CE1 3.73Å; F23-H72 AromaticContact CZ-CE1 3.44Å; F23-H72 VanDerWaalsContact CZ-CE1 3.44Å; F23-H72 WeakPolarHBondContact CZ-CE1 3.28Å; F23-H72 AromaticContact CZ-ND1 3.91Å; F23-H72 AromaticContact CZ-NE2 3.61Å; L34-H72 HydrophobicContact CD1-CB 3.75Å; L34-H72 HydrophobicContact CD2-CB 4.11Å; Y61-H72 HydrophobicContact CE2-CB 4.06Å; Y61-H72 AromaticContact CE2-ND1 3.64Å; Y61-H72 AromaticContact CZ-ND1 3.72Å; Y61-H72 PolarHBondContact OH-ND1 2.94Å; C70-H72 VanDerWaalsContact C-N 3.32Å; C70-H72 PolarHBondContact O-N 2.87Å; H72-Q100 CarbonylContact O-C 3.38Å; H72-Q100 WeakPolarHBondContact O-CA 3.35Å; H72-Q100 WeakPolarHBondContact O-CB 3.49Å; H72-L101 HydrophobicContact CB-CB 4.37Å; H72-L101 PolarHBondContact N-O 3.14Å; H72-L101 PolarHBondContact O-N 2.83Å
73R98Very high96Very high0 Ų034.9 Ų34.90%019%0.188CC..EExtended strand (participates in β ladder)trans-139.2128.6173.4175.1177.7173.7-72.9-0.7108.3S62 C70 R98 S99 Q100 E299 T329 S333S62-R73 CarbonylContact C-O 3.15Å; S62-R73 PolarHBondContact N-O 2.97Å; S62-R73 VanDerWaalsContact O-CB 3.31Å; S62-R73 WeakPolarHBondContact O-CB 3.19Å; S62-R73 WeakPolarHBondContact O-CD 3.4Å; S62-R73 WeakPolarHBondContact O-CG 3.26Å; S62-R73 PolarHBondContact O-NH1 2.8Å; S62-R73 PolarHBondContact OG-NH1 3.18Å; C70-R73 HydrophobicContact CB-CB 4.35Å; R73-R98 HydrophobicContact CG-CG 4.35Å; R73-S99 WeakPolarHBondContact CA-O 3.36Å; R73-Q100 HydrophobicContact CB-CB 3.94Å; R73-Q100 HydrophobicContact CG-CB 4.1Å; R73-E299 IonicContact CZ-OE1 2.97Å; R73-E299 IonicContact CZ-OE2 3.76Å; R73-E299 IonicContact NH1-OE1 3.49Å; R73-E299 PolarHBondContact NH1-OE1 3.47Å; R73-E299 IonicContact NH1-OE2 3.19Å; R73-E299 VanDerWaalsContact NH2-CD 3.31Å; R73-E299 IonicContact NH2-OE1 2.8Å; R73-E299 PolarHBondContact NH2-OE1 2.88Å; R73-E299 IonicContact NH2-OE2 2.67Å; R73-E299 PolarHBondContact NH2-OE2 3.11Å; R73-T329 PolarHBondContact NH2-OG1 2.77Å; R73-S333 PolarHBondContact NE-OG 3.08Å; R73-S333 VanDerWaalsContact NE-OG 3.1Å
74M98.4Very high95.9Very high2 Ų239.1 Ų39.11%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-130139.7-172.7-78.7-77.6-15800110F23 L34 I60 Y61 F76 R98 S99F23-M74 VanDerWaalsContact CA-CE 3.45Å; F23-M74 HydrophobicContact CB-CE 3.8Å; F23-M74 WeakPolarHBondContact O-CE 3.26Å; L34-M74 HydrophobicContact CB-CB 4.21Å; L34-M74 HydrophobicContact CB-CG 4.14Å; L34-M74 HydrophobicContact CD1-CG 4.39Å; L34-M74 HydrophobicContact CD2-CB 4.06Å; L34-M74 HydrophobicContact CD2-CG 4.07Å; L34-M74 HydrophobicContact CG-CG 4.42Å; I60-M74 CarbonylContact O-C 3.44Å; I60-M74 WeakPolarHBondContact O-CA 3.47Å; Y61-M74 WeakPolarHBondContact CA-SD 3.33Å; Y61-M74 HydrophobicContact CD2-CE 3.7Å; Y61-M74 HydrophobicContact CD2-CG 4.05Å; Y61-M74 HydrophobicContact CD2-SD 3.88Å; Y61-M74 HydrophobicContact CG-CE 4.16Å; Y61-M74 HydrophobicContact CG-SD 4.3Å; Y61-M74 PolarHBondContact N-SD 3.3Å; M74-F76 HydrophobicContact CB-CD2 4.27Å; M74-F76 HydrophobicContact CB-CE2 3.4Å; M74-F76 VanDerWaalsContact CB-CE2 3.4Å; M74-F76 HydrophobicContact CB-CZ 3.71Å; M74-F76 HydrophobicContact CG-CE2 4.44Å; M74-F76 HydrophobicContact CG-CZ 4.3Å; M74-R98 WeakPolarHBondContact O-CA 3.47Å; M74-S99 PolarHBondContact N-O 2.91Å; M74-S99 PolarHBondContact O-N 3.04Å
75L98.7Very high95.9Very high0 Ų038.6 Ų38.60%020%0.203CC..EExtended strand (participates in β ladder)trans-111132172.7-59.4169.7000108.3Q59 I60 F97 R98 E299 F300 T329Q59-L75 CarbonylContact C-O 3.45Å; Q59-L75 WeakPolarHBondContact CA-O 3.24Å; Q59-L75 VanDerWaalsContact CB-O 3.25Å; Q59-L75 WeakPolarHBondContact CB-O 3.49Å; I60-L75 PolarHBondContact N-O 3.42Å; I60-L75 PolarHBondContact O-N 3.37Å; L75-F97 CarbonylContact C-O 3.57Å; L75-F97 WeakPolarHBondContact CA-O 3.43Å; L75-R98 HydrophobicContact CD2-CB 3.71Å; L75-R98 HydrophobicContact CD2-CG 4.02Å; L75-E299 VanDerWaalsContact CD1-CD 3.42Å; L75-E299 HydrophobicContact CD1-CG 3.85Å; L75-E299 VanDerWaalsContact CD1-OE2 3.26Å; L75-E299 WeakPolarHBondContact CD1-OE2 3.28Å; L75-F300 HydrophobicContact CB-CE1 4.19Å; L75-F300 HydrophobicContact CD1-CD1 4.03Å; L75-F300 HydrophobicContact CD1-CE1 3.57Å; L75-T329 HydrophobicContact CD1-CG2 4.39Å; L75-T329 HydrophobicContact CD2-CG2 3.88Å
76F98.8Very high96.1Very high0 Ų033 Ų330%016%0.164CC..EExtended strand (participates in β ladder)trans-121.7120.2-178.1-60.7-95.7000109.3P31 A32 W33 L34 F56 Q59 M74 F78 V96 F97 Y347P31-F76 HydrophobicContact CB-CD1 4.32Å; A32-F76 WeakPolarHBondContact O-CE1 3.44Å; W33-F76 HydrophobicContact CE3-CD1 4.15Å; W33-F76 HydrophobicContact CE3-CE1 4.07Å; W33-F76 HydrophobicContact CE3-CZ 4.35Å; W33-F76 HydrophobicContact CZ3-CD1 4.24Å; W33-F76 HydrophobicContact CZ3-CG 4.31Å; L34-F76 HydrophobicContact CB-CE2 4.4Å; L34-F76 HydrophobicContact CB-CZ 4.19Å; F56-F76 HydrophobicContact CE2-CD1 4.05Å; Q59-F76 HydrophobicContact CB-CD1 3.84Å; Q59-F76 HydrophobicContact CB-CE1 4.1Å; Q59-F76 HydrophobicContact CB-CG 4.41Å; M74-F76 HydrophobicContact CB-CD2 4.27Å; M74-F76 HydrophobicContact CB-CE2 3.4Å; M74-F76 VanDerWaalsContact CB-CE2 3.4Å; M74-F76 HydrophobicContact CB-CZ 3.71Å; M74-F76 HydrophobicContact CG-CE2 4.44Å; M74-F76 HydrophobicContact CG-CZ 4.3Å; F76-F78 HydrophobicContact CB-CE2 3.77Å; F76-V96 CarbonylContact O-C 3.58Å; F76-V96 VanDerWaalsContact O-CA 3.27Å; F76-V96 WeakPolarHBondContact O-CA 3.37Å; F76-F97 PolarHBondContact N-O 3.14Å; F76-F97 PolarHBondContact O-N 2.88Å; F76-Y347 HydrophobicContact CD2-CD1 4.38Å; F76-Y347 AromaticContact CD2-CE1 3.96Å; F76-Y347 HydrophobicContact CD2-CE1 3.96Å; F76-Y347 AromaticContact CE2-CE1 3.75Å; F76-Y347 HydrophobicContact CE2-CE1 3.75Å; F76-Y347 HydrophobicContact CZ-CE1 4.37Å
77L98.8Very high96.1Very high0 Ų032.3 Ų32.30%016%0.157CC..EExtended strand (participates in β ladder)trans-105.8136.1179.5-155.964.3000109.9L57 L58 Y95 V96 V302 L325 V327 V352L57-L77 HydrophobicContact CB-CB 4.42Å; L57-L77 WeakPolarHBondContact CB-O 3.41Å; L57-L77 HydrophobicContact CD2-CD2 3.81Å; L57-L77 HydrophobicContact CD2-CG 4.22Å; L57-L77 HydrophobicContact CG-CD2 4.47Å; L57-L77 PolarHBondContact N-O 3.18Å; L58-L77 HydrophobicContact CD1-CB 3.94Å; L58-L77 HydrophobicContact CD1-CD2 4.32Å; L58-L77 HydrophobicContact CD2-CD2 4.19Å; L58-L77 HydrophobicContact CG-CB 3.91Å; L58-L77 HydrophobicContact CG-CD2 4.11Å; L58-L77 PolarHBondContact N-O 2.81Å; L58-L77 PolarHBondContact O-N 3.4Å; L77-Y95 CarbonylContact C-O 3.52Å; L77-Y95 WeakPolarHBondContact CA-O 3.29Å; L77-V96 HydrophobicContact CD1-CB 3.56Å; L77-V96 HydrophobicContact CD1-CG2 4.15Å; L77-V302 HydrophobicContact CD2-CG2 3.82Å; L77-L325 HydrophobicContact CD2-CD1 3.99Å; L77-V327 HydrophobicContact CD1-CG2 4.14Å; L77-V352 HydrophobicContact CD1-CB 4.38Å; L77-V352 HydrophobicContact CD1-CG2 4.26Å
78F98.8Very high95.9Very high0 Ų034.1 Ų34.10%017%0.165CC..EExtended strand (participates in β ladder)trans-126.4149.3178.8-67.7-95.6000109.8P31 W33 L45 M54 C55 F56 F76 F94 Y95 F97P31-F78 HydrophobicContact CB-CZ 4.5Å; P31-F78 HydrophobicContact CG-CE1 3.94Å; P31-F78 HydrophobicContact CG-CZ 3.88Å; W33-F78 HydrophobicContact CH2-CE1 4.4Å; W33-F78 HydrophobicContact CH2-CE2 4.1Å; W33-F78 AromaticContact CH2-CZ 3.46Å; W33-F78 HydrophobicContact CH2-CZ 3.46Å; W33-F78 VanDerWaalsContact CH2-CZ 3.46Å; W33-F78 HydrophobicContact CZ2-CZ 4.11Å; W33-F78 HydrophobicContact CZ3-CE2 4.44Å; W33-F78 HydrophobicContact CZ3-CZ 4.1Å; L45-F78 HydrophobicContact CD1-CE1 4.47Å; L45-F78 HydrophobicContact CD2-CB 4.46Å; L45-F78 HydrophobicContact CD2-CD1 3.92Å; L45-F78 HydrophobicContact CD2-CD2 3.78Å; L45-F78 HydrophobicContact CD2-CE1 4.09Å; L45-F78 HydrophobicContact CD2-CE2 3.94Å; L45-F78 HydrophobicContact CD2-CG 3.78Å; L45-F78 HydrophobicContact CD2-CZ 4.12Å; M54-F78 HydrophobicContact CB-CB 4.12Å; M54-F78 HydrophobicContact CE-CB 3.97Å; C55-F78 CarbonylContact O-C 3.55Å; C55-F78 VanDerWaalsContact O-CA 3.23Å; C55-F78 WeakPolarHBondContact O-CA 3.24Å; F56-F78 HydrophobicContact CB-CD1 4.28Å; F56-F78 HydrophobicContact CB-CE1 3.98Å; F56-F78 HydrophobicContact CD2-CE1 4.15Å; F56-F78 HydrophobicContact CD2-CZ 4.07Å; F76-F78 HydrophobicContact CB-CE2 3.77Å; F78-F94 CarbonylContact O-C 3.48Å; F78-F94 WeakPolarHBondContact O-CA 3.26Å; F78-Y95 PolarHBondContact N-O 3.11Å; F78-Y95 PolarHBondContact O-N 3.07Å; F78-F97 HydrophobicContact CD2-CD2 4.13Å; F78-F97 HydrophobicContact CD2-CE2 4.43Å; F78-F97 HydrophobicContact CE2-CD2 4.21Å
79M98.2Very high95.3Very high0 Ų034.1 Ų34.10%017%0.165CC..EExtended strand (participates in β ladder)trans-137.6153178.371.4176-70.400112.8M54 C55 L57 P93 F94 L196 L310 L312 P320M54-M79 CarbonylContact C-O 3.55Å; M54-M79 VanDerWaalsContact CA-O 3.31Å; M54-M79 WeakPolarHBondContact CA-O 3.33Å; M54-M79 VanDerWaalsContact CB-O 3.27Å; M54-M79 WeakPolarHBondContact CB-O 3.41Å; C55-M79 PolarHBondContact N-O 2.95Å; C55-M79 PolarHBondContact O-N 3.25Å; C55-M79 PolarHBondContact SG-O 2.87Å; L57-M79 HydrophobicContact CB-CB 4.49Å; L57-M79 HydrophobicContact CB-CG 4.21Å; L57-M79 HydrophobicContact CB-SD 4.43Å; L57-M79 HydrophobicContact CD1-SD 3.86Å; L57-M79 HydrophobicContact CD2-CB 4.39Å; L57-M79 HydrophobicContact CD2-SD 4.17Å; L57-M79 HydrophobicContact CG-SD 4.38Å; M79-P93 CarbonylContact C-O 3.57Å; M79-P93 WeakPolarHBondContact CA-O 3.36Å; M79-F94 HydrophobicContact CB-CD1 3.47Å; M79-F94 VanDerWaalsContact CB-CD1 3.47Å; M79-F94 HydrophobicContact CB-CE1 3.37Å; M79-F94 HydrophobicContact CB-CG 4.43Å; M79-F94 HydrophobicContact CB-CZ 4.26Å; M79-F94 HydrophobicContact CE-CE1 4.35Å; M79-F94 HydrophobicContact CE-CZ 4.49Å; M79-F94 HydrophobicContact CG-CE1 4.43Å; M79-F94 HydrophobicContact SD-CE1 4.37Å; M79-L196 HydrophobicContact CG-CD1 4.37Å; M79-L196 HydrophobicContact SD-CD1 3.91Å; M79-L310 HydrophobicContact CE-CD1 4.4Å; M79-L310 HydrophobicContact SD-CD1 3.8Å; M79-L312 HydrophobicContact CE-CD1 3.98Å; M79-L312 HydrophobicContact SD-CD1 4.43Å; M79-P320 HydrophobicContact CE-CB 3.75Å
80C97.6Very high94.6Very high2 Ų239.4 Ų39.41%0.01419%0.193CC..  trans-73.5141168.2-167.20000111.1C47 C50 M54 N82 C85 H86 P93C47-C80 HydrophobicContact CB-CB 3.93Å; C50-C80 PolarHBondContact SG-SG 2.66Å; M54-C80 HydrophobicContact CG-CB 4.47Å; C80-N82 PolarHBondContact SG-N 3.31Å; C80-N82 VanDerWaalsContact SG-N 3.37Å; C80-C85 HydrophobicContact CB-CB 4.31Å; C80-H86 PolarHBondContact O-NE2 3.41Å; C80-P93 HydrophobicContact CB-CB 3.78Å; C80-P93 PolarHBondContact N-O 2.79Å
81R95.5Very high93.8Very high75 Ų7543.3 Ų43.328%0.28321%0.211SC..  trans-86.6-13171.5-67.9-168.667.1136.30.4114.4C55 S83 S193 F194 L195C55-R81 HydrophobicContact CB-CG 4.12Å; C55-R81 WeakPolarHBondContact SG-CG 3.39Å; R81-S83 PolarHBondContact O-N 3.44Å; R81-S193 PolarHBondContact NH1-O 3.36Å; R81-S193 VanDerWaalsContact NH1-O 3.14Å; R81-S193 PolarHBondContact NH2-O 3.47Å; R81-F194 WeakPolarHBondContact CD-O 3.12Å; R81-F194 PolarHBondContact NH1-O 2.9Å; R81-L195 PolarHBondContact NH1-O 3.38Å
82N94.7Very high93.4Very high56 Ų5641.6 Ų41.630%0.29921%0.208SC..  trans-77.1113.4177.9-178.2-2.4000109C80 E84 C85 H86C80-N82 PolarHBondContact SG-N 3.31Å; C80-N82 VanDerWaalsContact SG-N 3.37Å; N82-E84 VanDerWaalsContact C-N 3.28Å; N82-E84 PolarHBondContact O-N 3.13Å; N82-E84 PolarHBondContact OD1-N 3.23Å; N82-E84 VanDerWaalsContact OD1-N 3.14Å; N82-C85 WeakPolarHBondContact O-CB 3.32Å; N82-C85 PolarHBondContact O-N 2.8Å; N82-C85 VanDerWaalsContact O-N 3.11Å; N82-H86 PolarHBondContact O-CD2 3.14Å
83S93.8Very high93.4Very high21 Ų2141 Ų4115%0.14721%0.205CC..G310 helixtrans-53.1-42.7-179.3-45.30000112.5R81 C85 H86 Y87 L318 P320R81-S83 PolarHBondContact O-N 3.44Å; S83-C85 PolarHBondContact O-N 3.09Å; S83-C85 VanDerWaalsContact O-N 3.11Å; S83-H86 WeakPolarHBondContact O-CB 3.32Å; S83-H86 PolarHBondContact O-N 3.49Å; S83-Y87 WeakPolarHBondContact O-CD2 3.38Å; S83-L318 VanDerWaalsContact CB-C 3.44Å; S83-L318 WeakPolarHBondContact CB-O 3.49Å; S83-L318 PolarHBondContact OG-O 3.45Å; S83-P320 WeakPolarHBondContact OG-CD 3.34Å
84E93.8Very high93.3Very high122 Ų12241 Ų4157%0.5721%0.205SC*.G310 helixtrans-59.5-29.4-178.1-63.7179.6170.400113.2N82 H86 Y87 L318N82-E84 VanDerWaalsContact C-N 3.28Å; N82-E84 PolarHBondContact O-N 3.13Å; N82-E84 PolarHBondContact OD1-N 3.23Å; N82-E84 VanDerWaalsContact OD1-N 3.14Å; E84-H86 PolarHBondContact O-N 3.01Å; E84-Y87 PolarHBondContact O-N 3.24Å; E84-L318 HydrophobicContact CG-CD2 4.23Å
85C95.6Very high93.3Very high1 Ų143 Ų431%0.00721%0.213CC..G310 helixtrans-66.2-25.6177.4-61.10000112.1V49 C50 C80 N82 S83 Y87 P93V49-C85 HydrophobicContact CB-CB 4.11Å; V49-C85 HydrophobicContact CG1-CB 4.38Å; V49-C85 HydrophobicContact CG2-CB 4.27Å; C50-C85 VanDerWaalsContact SG-SG 3.65Å; C80-C85 HydrophobicContact CB-CB 4.31Å; N82-C85 WeakPolarHBondContact O-CB 3.32Å; N82-C85 PolarHBondContact O-N 2.8Å; N82-C85 VanDerWaalsContact O-N 3.11Å; S83-C85 PolarHBondContact O-N 3.09Å; S83-C85 VanDerWaalsContact O-N 3.11Å; C85-Y87 VanDerWaalsContact C-N 3.28Å; C85-Y87 PolarHBondContact O-N 2.8Å; C85-P93 HydrophobicContact CB-CB 3.99Å; C85-P93 HydrophobicContact CB-CG 4.48Å
86H93.9Very high93.3Very high0 Ų043 Ų430%021%0.213CC..G310 helixtrans-78-12.9-179.9-66.8-86000113.2C80 N82 S83 E84 P93 F94 R354C80-H86 PolarHBondContact O-NE2 3.41Å; N82-H86 PolarHBondContact O-CD2 3.14Å; S83-H86 WeakPolarHBondContact O-CB 3.32Å; S83-H86 PolarHBondContact O-N 3.49Å; E84-H86 PolarHBondContact O-N 3.01Å; H86-P93 WeakPolarHBondContact ND1-CG 3.44Å; H86-F94 AromaticContact CE1-CE2 3.66Å; H86-F94 AromaticContact CE1-CZ 3.44Å; H86-F94 VanDerWaalsContact CE1-CZ 3.44Å; H86-F94 WeakPolarHBondContact CE1-CZ 3.44Å; H86-F94 AromaticContact ND1-CE2 3.56Å; H86-F94 AromaticContact ND1-CZ 3.65Å; H86-R354 VanDerWaalsContact C-NH1 3.27Å; H86-R354 VanDerWaalsContact CA-NH1 3.32Å; H86-R354 PolarHBondContact O-NH1 3.49Å
87Y91Very high93.3Very high101 Ų10143 Ų4340%0.39621%0.213SC..G310 helixtrans-107.411.3178.9-59.5-93.1000112.5S83 E84 C85 L318 N319 D321 M356S83-Y87 WeakPolarHBondContact O-CD2 3.38Å; E84-Y87 PolarHBondContact O-N 3.24Å; C85-Y87 VanDerWaalsContact C-N 3.28Å; C85-Y87 PolarHBondContact O-N 2.8Å; Y87-L318 HydrophobicContact CD1-CD1 4.39Å; Y87-L318 HydrophobicContact CD2-CD1 3.79Å; Y87-L318 HydrophobicContact CD2-CD2 3.48Å; Y87-L318 VanDerWaalsContact CD2-CD2 3.48Å; Y87-L318 HydrophobicContact CD2-CG 3.72Å; Y87-L318 HydrophobicContact CE1-CD1 3.96Å; Y87-L318 HydrophobicContact CE2-CD1 3.3Å; Y87-L318 HydrophobicContact CE2-CD2 3.68Å; Y87-L318 HydrophobicContact CE2-CG 3.32Å; Y87-L318 HydrophobicContact CG-CD1 4.31Å; Y87-L318 HydrophobicContact CG-CD2 4.26Å; Y87-N319 VanDerWaalsContact CE2-O 3.27Å; Y87-N319 WeakPolarHBondContact CE2-O 3.44Å; Y87-N319 PolarHBondContact OH-O 2.77Å; Y87-N319 VanDerWaalsContact OH-O 3.06Å; Y87-D321 WeakPolarHBondContact OH-CB 3.47Å; Y87-M356 HydrophobicContact CE1-CE 4.34Å
88K89.4Confident93.3Very high97 Ų9743 Ų4342%0.42221%0.213SC..  trans-84.8126.3171.6-59.3-54.8-179.1-175.70109.6V49 H91 R354V49-K88 HydrophobicContact CG1-CG 4.03Å; V49-K88 HydrophobicContact CG2-CG 4.41Å; K88-H91 HydrophobicContact CB-CB 4.44Å; K88-R354 PolarHBondContact O-NH2 3.25Å
89P79.9Confident93.3Very high109 Ų10943 Ų4371%0.70821%0.213SC*.THydrogen-bonded Turntrans-70.1-43-175.725.6-32.7000112.6H91P89-H91 VanDerWaalsContact C-N 3.26Å; P89-H91 PolarHBondContact O-N 2.96Å
90D80.1Confident93.3Very high142 Ų14243 Ų4376%0.75921%0.213SC*.THydrogen-bonded Turntrans-84.66.1-171.6-53.8-44.6000114.5
91H81Confident93.3Very high82 Ų8243.3 Ų43.338%0.3821%0.214SC..  trans-137.3126.9-174.6-62.2-51.3000111.5V49 K88 P89 P93 R354V49-H91 HydrophobicContact CG2-CB 3.46Å; V49-H91 VanDerWaalsContact CG2-CB 3.46Å; K88-H91 HydrophobicContact CB-CB 4.44Å; P89-H91 VanDerWaalsContact C-N 3.26Å; P89-H91 PolarHBondContact O-N 2.96Å; H91-P93 VanDerWaalsContact O-CD 3.28Å; H91-P93 WeakPolarHBondContact O-CD 3.47Å; H91-R354 PolarHBondContact O-NH2 2.73Å
92T88.2Confident93.4Very high50 Ų5042.1 Ų42.131%0.30722%0.218SC..  trans-92.2107.6168.9-570000108.3F94 V352 R354T92-F94 HydrophobicContact CG2-CB 4Å; T92-F94 HydrophobicContact CG2-CD2 3.92Å; T92-F94 HydrophobicContact CG2-CG 4.45Å; T92-F94 PolarHBondContact O-N 2.53Å; T92-V352 HydrophobicContact CG2-CG1 4.24Å; T92-R354 HydrophobicContact CG2-CB 4.03Å
93P96Very high93.4Very high0 Ų043.9 Ų43.90%022%0.22CC..  trans-79.538-17936.7-39.5000112.2M79 C80 C85 H86 H91M79-P93 CarbonylContact C-O 3.57Å; M79-P93 WeakPolarHBondContact CA-O 3.36Å; C80-P93 HydrophobicContact CB-CB 3.78Å; C80-P93 PolarHBondContact N-O 2.79Å; C85-P93 HydrophobicContact CB-CB 3.99Å; C85-P93 HydrophobicContact CB-CG 4.48Å; H86-P93 WeakPolarHBondContact ND1-CG 3.44Å; H91-P93 VanDerWaalsContact O-CD 3.28Å; H91-P93 WeakPolarHBondContact O-CD 3.47Å
94F97.8Very high93.6Very high2 Ų250.3 Ų50.31%0.00925%0.248CC..EExtended strand (participates in β ladder)trans-131.8143.3179.7-61.6-94.3000109.8L57 F78 M79 H86 T92 F322 L325 V352 R354L57-F94 HydrophobicContact CD2-CD1 4.21Å; L57-F94 HydrophobicContact CD2-CE1 3.99Å; F78-F94 CarbonylContact O-C 3.48Å; F78-F94 WeakPolarHBondContact O-CA 3.26Å; M79-F94 HydrophobicContact CB-CD1 3.47Å; M79-F94 VanDerWaalsContact CB-CD1 3.47Å; M79-F94 HydrophobicContact CB-CE1 3.37Å; M79-F94 HydrophobicContact CB-CG 4.43Å; M79-F94 HydrophobicContact CB-CZ 4.26Å; M79-F94 HydrophobicContact CE-CE1 4.35Å; M79-F94 HydrophobicContact CE-CZ 4.49Å; M79-F94 HydrophobicContact CG-CE1 4.43Å; M79-F94 HydrophobicContact SD-CE1 4.37Å; H86-F94 AromaticContact CE1-CE2 3.66Å; H86-F94 AromaticContact CE1-CZ 3.44Å; H86-F94 VanDerWaalsContact CE1-CZ 3.44Å; H86-F94 WeakPolarHBondContact CE1-CZ 3.44Å; H86-F94 AromaticContact ND1-CE2 3.56Å; H86-F94 AromaticContact ND1-CZ 3.65Å; T92-F94 HydrophobicContact CG2-CB 4Å; T92-F94 HydrophobicContact CG2-CD2 3.92Å; T92-F94 HydrophobicContact CG2-CG 4.45Å; T92-F94 PolarHBondContact O-N 2.53Å; F94-F322 HydrophobicContact CE1-CD1 4.21Å; F94-F322 HydrophobicContact CE1-CE1 4.05Å; F94-F322 HydrophobicContact CE2-CD1 4.37Å; F94-F322 AromaticContact CZ-CD1 3.53Å; F94-F322 HydrophobicContact CZ-CD1 3.53Å; F94-F322 AromaticContact CZ-CE1 3.83Å; F94-F322 HydrophobicContact CZ-CE1 3.83Å; F94-F322 HydrophobicContact CZ-CG 4.35Å; F94-L325 HydrophobicContact CD1-CD1 3.66Å; F94-L325 HydrophobicContact CD1-CD2 4.35Å; F94-L325 HydrophobicContact CD2-CD2 4.01Å; F94-L325 HydrophobicContact CE1-CD1 3.54Å; F94-L325 HydrophobicContact CE1-CD2 4.2Å; F94-L325 HydrophobicContact CE2-CD2 3.86Å; F94-L325 HydrophobicContact CG-CD1 4.29Å; F94-L325 HydrophobicContact CG-CD2 4.27Å; F94-L325 HydrophobicContact CZ-CD1 4.1Å; F94-L325 HydrophobicContact CZ-CD2 3.96Å; F94-V352 HydrophobicContact CB-CG1 3.73Å; F94-V352 HydrophobicContact CB-CG2 4.28Å; F94-V352 WeakPolarHBondContact O-CG1 3.25Å; F94-R354 HydrophobicContact CE2-CG 4.38Å
95Y98.2Very high93.7Very high42 Ų4246.1 Ų46.117%0.16523%0.229CC..EExtended strand (participates in β ladder)trans-128.2144.6166.7-66.4-28.9000110.3E44 K46 P48 M54 L77 F78 R349E44-Y95 WeakPolarHBondContact O-CD2 3.3Å; E44-Y95 VanDerWaalsContact O-CE2 3.26Å; E44-Y95 WeakPolarHBondContact O-CE2 3.32Å; K46-Y95 VanDerWaalsContact O-CE2 3.24Å; K46-Y95 WeakPolarHBondContact O-CE2 3.37Å; K46-Y95 PolarHBondContact O-OH 3.11Å; P48-Y95 WeakPolarHBondContact CD-OH 3.36Å; M54-Y95 HydrophobicContact CE-CD1 4.32Å; M54-Y95 HydrophobicContact CE-CD2 2.99Å; M54-Y95 HydrophobicContact CE-CE2 3.5Å; M54-Y95 VanDerWaalsContact CE-CE2 3.5Å; M54-Y95 HydrophobicContact CE-CG 3.44Å; M54-Y95 VanDerWaalsContact CE-CG 3.44Å; M54-Y95 HydrophobicContact SD-CD2 4.45Å; L77-Y95 CarbonylContact C-O 3.52Å; L77-Y95 WeakPolarHBondContact CA-O 3.29Å; F78-Y95 PolarHBondContact N-O 3.11Å; F78-Y95 PolarHBondContact O-N 3.07Å; Y95-R349 VanDerWaalsContact CD1-NH1 3.32Å; Y95-R349 VanDerWaalsContact CE2-NH1 3.27Å
96V98.5Very high93.6Very high0 Ų050.4 Ų50.40%026%0.258CS..EExtended strand (participates in β ladder)trans-116139.1169.9550000109.5F76 L77 V327 R349 E350 V352F76-V96 CarbonylContact O-C 3.58Å; F76-V96 VanDerWaalsContact O-CA 3.27Å; F76-V96 WeakPolarHBondContact O-CA 3.37Å; L77-V96 HydrophobicContact CD1-CB 3.56Å; L77-V96 HydrophobicContact CD1-CG2 4.15Å; V96-V327 HydrophobicContact CB-CG1 4.5Å; V96-V327 HydrophobicContact CG1-CG1 4.4Å; V96-V327 HydrophobicContact CG2-CG1 3.88Å; V96-R349 WeakPolarHBondContact O-CA 3.43Å; V96-E350 HydrophobicContact CG1-CB 3.64Å; V96-E350 VanDerWaalsContact CG1-O 3.29Å; V96-E350 WeakPolarHBondContact CG1-O 3.34Å; V96-E350 HydrophobicContact CG2-CB 4.33Å; V96-E350 PolarHBondContact O-N 3.42Å; V96-V352 HydrophobicContact CG1-CB 4.04Å; V96-V352 HydrophobicContact CG1-CG1 4.31Å
97F98.7Very high93.7Very high0 Ų051.2 Ų51.20%026%0.261CS..EExtended strand (participates in β ladder)trans-125.4136.5171.7-66.6-94.3000110.7P40 E44 L45 L75 F76 F78 Y347 Q348 R349P40-F97 HydrophobicContact CB-CE1 4.34Å; P40-F97 HydrophobicContact CB-CZ 4.39Å; P40-F97 HydrophobicContact CG-CD1 4.27Å; P40-F97 HydrophobicContact CG-CE1 4.3Å; E44-F97 HydrophobicContact CB-CZ 4.37Å; L45-F97 HydrophobicContact CD2-CD2 4.35Å; L45-F97 HydrophobicContact CD2-CE2 3.58Å; L45-F97 HydrophobicContact CD2-CZ 4.21Å; L75-F97 CarbonylContact C-O 3.57Å; L75-F97 WeakPolarHBondContact CA-O 3.43Å; F76-F97 PolarHBondContact N-O 3.14Å; F76-F97 PolarHBondContact O-N 2.88Å; F78-F97 HydrophobicContact CD2-CD2 4.13Å; F78-F97 HydrophobicContact CD2-CE2 4.43Å; F78-F97 HydrophobicContact CE2-CD2 4.21Å; F97-Y347 HydrophobicContact CB-CD1 4.26Å; F97-Q348 CarbonylContact C-O 3.52Å; F97-Q348 WeakPolarHBondContact CA-O 3.27Å; F97-R349 HydrophobicContact CD1-CB 4.32Å; F97-R349 HydrophobicContact CE1-CB 4.14Å
98R98.5Very high93.9Very high0 Ų047.2 Ų47.20%025%0.246CC..EExtended strand (participates in β ladder)trans-96.6135.1166177.1-179.758.699.55.5109.9R73 M74 L75 S333 C334 L336 Y347 Q348 E350R73-R98 HydrophobicContact CG-CG 4.35Å; M74-R98 WeakPolarHBondContact O-CA 3.47Å; L75-R98 HydrophobicContact CD2-CB 3.71Å; L75-R98 HydrophobicContact CD2-CG 4.02Å; R98-S333 PolarHBondContact NH1-O 3.23Å; R98-S333 VanDerWaalsContact NH1-O 3.08Å; R98-C334 PolarHBondContact NH1-O 3.32Å; R98-C334 PolarHBondContact NH2-O 2.86Å; R98-C334 PolarHBondContact NH2-SG 2.85Å; R98-L336 WeakPolarHBondContact O-CD1 3.36Å; R98-Y347 CarbonylContact O-C 3.51Å; R98-Y347 WeakPolarHBondContact O-CA 3.5Å; R98-Q348 PolarHBondContact N-O 3.37Å; R98-Q348 PolarHBondContact O-N 3.49Å; R98-E350 HydrophobicContact CB-CG 3.78Å; R98-E350 IonicContact CZ-OE1 3Å; R98-E350 IonicContact NE-OE1 3.47Å; R98-E350 PolarHBondContact NE-OE1 2.95Å; R98-E350 IonicContact NH2-OE1 2.66Å
99S98.6Very high94.1Very high0 Ų046.4 Ų46.40%025%0.252CS..EExtended strand (participates in β ladder)trans-127.1148.2164.6-170.30000108.5R73 M74 E346R73-S99 WeakPolarHBondContact CA-O 3.36Å; M74-S99 PolarHBondContact N-O 2.91Å; M74-S99 PolarHBondContact O-N 3.04Å; S99-E346 WeakPolarHBondContact CA-O 3.38Å; S99-E346 WeakPolarHBondContact CB-O 3.19Å; S99-E346 PolarHBondContact OG-O 3.36Å
100Q98.1Very high94.8Very high1 Ų145.9 Ų45.91%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-150.7155.2175.669.6-164.837.400112D69 C70 H72 R73 S333 L336D69-Q100 WeakPolarHBondContact O-CB 3.34Å; D69-Q100 WeakPolarHBondContact O-CG 3.49Å; D69-Q100 PolarHBondContact OD2-NE2 3.14Å; C70-Q100 PolarHBondContact SG-NE2 3.31Å; C70-Q100 PolarHBondContact SG-OE1 3.22Å; C70-Q100 VanDerWaalsContact SG-OE1 3.32Å; H72-Q100 CarbonylContact O-C 3.38Å; H72-Q100 WeakPolarHBondContact O-CA 3.35Å; H72-Q100 WeakPolarHBondContact O-CB 3.49Å; R73-Q100 HydrophobicContact CB-CB 3.94Å; R73-Q100 HydrophobicContact CG-CB 4.1Å; Q100-S333 PolarHBondContact NE2-O 3.3Å; Q100-L336 HydrophobicContact CG-CB 4.06Å; Q100-L336 HydrophobicContact CG-CD1 4.38Å
101L97.8Very high95.5Very high8 Ų844.4 Ų44.44%0.04223%0.228CC..EExtended strand (participates in β ladder)trans-145.3145.4-178.8-60171.7000109.5L34 A35 D69 F71 H72 N105 Y107 Y108L34-L101 HydrophobicContact CD1-CD1 3.89Å; L34-L101 HydrophobicContact CD2-CD1 4.35Å; L34-L101 HydrophobicContact CD2-CG 4.19Å; L34-L101 HydrophobicContact CG-CD1 3.71Å; L34-L101 HydrophobicContact CG-CG 4.07Å; A35-L101 HydrophobicContact CB-CD2 4.27Å; D69-L101 CarbonylContact O-C 3.58Å; D69-L101 PolarHBondContact O-N 2.94Å; F71-L101 PolarHBondContact N-O 3.22Å; H72-L101 HydrophobicContact CB-CB 4.37Å; H72-L101 PolarHBondContact N-O 3.14Å; H72-L101 PolarHBondContact O-N 2.83Å; L101-N105 HydrophobicContact CB-CB 4.22Å; L101-N105 HydrophobicContact CD1-CB 4.46Å; L101-N105 HydrophobicContact CD2-CB 4.5Å; L101-Y107 HydrophobicContact CD1-CD2 3.75Å; L101-Y107 HydrophobicContact CD1-CE2 4.46Å; L101-Y107 HydrophobicContact CD2-CD2 4.08Å; L101-Y107 HydrophobicContact CD2-CE2 4.05Å; L101-Y108 HydrophobicContact CD1-CD2 3.96Å; L101-Y108 HydrophobicContact CD1-CE2 3.81Å
102S97.1Very high95.9Very high51 Ų5144.7 Ų44.736%0.35724%0.237SC..  trans-65.1159.8163.248.40000112.1P68 Q104 N105P68-S102 VanDerWaalsContact O-CA 3.28Å; P68-S102 WeakPolarHBondContact O-CA 3.47Å; S102-Q104 VanDerWaalsContact C-N 3.31Å; S102-Q104 CarbonylContact O-C 3.55Å; S102-Q104 PolarHBondContact O-N 2.83Å; S102-Q104 PolarHBondContact OG-O 3.22Å; S102-N105 PolarHBondContact O-ND2 2.9Å
103R96Very high95.8Very high93 Ų9344.5 Ų44.535%0.35124%0.236SC..SBendtrans-53.4-49.5176.3-174.2176176.2-179.2-1.6111.7F71 N105 F110F71-R103 HydrophobicContact CB-CB 4.18Å; F71-R103 HydrophobicContact CD1-CB 3.66Å; F71-R103 HydrophobicContact CD1-CG 3.95Å; F71-R103 HydrophobicContact CD2-CB 3.96Å; F71-R103 HydrophobicContact CD2-CG 4.4Å; F71-R103 HydrophobicContact CE1-CB 3.99Å; F71-R103 HydrophobicContact CE1-CG 3.72Å; F71-R103 HydrophobicContact CE2-CB 4.27Å; F71-R103 HydrophobicContact CE2-CG 4.2Å; F71-R103 HydrophobicContact CG-CB 3.64Å; F71-R103 HydrophobicContact CG-CG 4.28Å; F71-R103 HydrophobicContact CZ-CB 4.28Å; F71-R103 HydrophobicContact CZ-CG 3.86Å; R103-N105 PolarHBondContact O-ND2 3.15Å; R103-F110 HydrophobicContact CB-CE2 4.26Å; R103-F110 VanDerWaalsContact CD-CE2 3.46Å; R103-F110 HydrophobicContact CG-CD2 3.73Å; R103-F110 HydrophobicContact CG-CE2 3.62Å; R103-F110 HydrophobicContact CG-CG 4.44Å; R103-F110 HydrophobicContact CG-CZ 4.24Å; R103-F110 VanDerWaalsContact NE-CZ 3.28Å; R103-F110 PolarHBondContact NE-O 2.9Å; R103-F110 PolarHBondContact NH2-O 2.9Å
104Q96.5Very high95.3Very high155 Ų15554.6 Ų54.672%0.72428%0.283SS*.SBendtrans-82.2117.2167.8-174.7174.13.600108.7S102 F110S102-Q104 VanDerWaalsContact C-N 3.31Å; S102-Q104 CarbonylContact O-C 3.55Å; S102-Q104 PolarHBondContact O-N 2.83Å; S102-Q104 PolarHBondContact OG-O 3.22Å; Q104-F110 HydrophobicContact CB-CD2 4.17Å
105N95.9Very high94.7Very high34 Ų3457.3 Ų57.318%0.18230%0.298CS..  trans-147.7177.5177.86478.9000110.2L101 S102 R103 Y107 Y108L101-N105 HydrophobicContact CB-CB 4.22Å; L101-N105 HydrophobicContact CD1-CB 4.46Å; L101-N105 HydrophobicContact CD2-CB 4.5Å; S102-N105 PolarHBondContact O-ND2 2.9Å; R103-N105 PolarHBondContact O-ND2 3.15Å; N105-Y107 PolarHBondContact OD1-N 3.37Å; N105-Y108 PolarHBondContact OD1-N 3.45Å
106C95.2Very high94.1Very high91 Ų9161.1 Ų61.162%0.61532%0.317SS*.SBendtrans-90.8-0.7-175.264.70000114.7
107Y95.4Very high93.6Very high18 Ų1866.5 Ų66.57%0.07134%0.341CS..SBendtrans-107.9-43.9-173.9-57.1-51.6000112.6A35 L36 Q37 L101 N105 P133 Y138 E346A35-Y107 HydrophobicContact CB-CD2 4.38Å; A35-Y107 HydrophobicContact CB-CE2 3.78Å; L36-Y107 HydrophobicContact CB-CD1 3.72Å; L36-Y107 HydrophobicContact CB-CE1 3.98Å; L36-Y107 HydrophobicContact CB-CG 4.18Å; L36-Y107 HydrophobicContact CD1-CD1 4.25Å; L36-Y107 HydrophobicContact CD1-CG 4.32Å; L36-Y107 HydrophobicContact CG-CD1 4.07Å; L36-Y107 HydrophobicContact CG-CG 4.06Å; Q37-Y107 HydrophobicContact CB-CE1 3.98Å; Q37-Y107 VanDerWaalsContact CB-OH 3.24Å; Q37-Y107 WeakPolarHBondContact CB-OH 3.2Å; L101-Y107 HydrophobicContact CD1-CD2 3.75Å; L101-Y107 HydrophobicContact CD1-CE2 4.46Å; L101-Y107 HydrophobicContact CD2-CD2 4.08Å; L101-Y107 HydrophobicContact CD2-CE2 4.05Å; N105-Y107 PolarHBondContact OD1-N 3.37Å; Y107-P133 WeakPolarHBondContact O-CB 3.31Å; Y107-P133 WeakPolarHBondContact O-CG 3.45Å; Y107-Y138 HydrophobicContact CD1-CE2 4.18Å; Y107-Y138 HydrophobicContact CE1-CE1 4.42Å; Y107-Y138 HydrophobicContact CE1-CE2 4.31Å; Y107-E346 WeakPolarHBondContact CE2-OE1 3.42Å; Y107-E346 PolarHBondContact OH-OE1 3.33Å; Y107-E346 PolarHBondContact OH-OE2 2.91Å; Y107-E346 VanDerWaalsContact OH-OE2 3.09Å
108Y95.3Very high93.3Very high17 Ų1766.7 Ų66.77%0.06734%0.342CS..SBendtrans-115.4154.4-172.2-56.6-80.7000111.5S20 H21 F23 W33 L34 L101 N105 P133S20-Y108 WeakPolarHBondContact O-CE1 3.13Å; S20-Y108 PolarHBondContact O-OH 3.16Å; H21-Y108 HydrophobicContact CB-CD1 4.36Å; H21-Y108 HydrophobicContact CB-CE1 4.26Å; F23-Y108 HydrophobicContact CE1-CD1 4.02Å; F23-Y108 HydrophobicContact CE1-CD2 4.02Å; F23-Y108 AromaticContact CE1-CE1 3.95Å; F23-Y108 HydrophobicContact CE1-CE1 3.95Å; F23-Y108 AromaticContact CE1-CE2 3.94Å; F23-Y108 HydrophobicContact CE1-CE2 3.94Å; F23-Y108 HydrophobicContact CE1-CG 4.05Å; F23-Y108 AromaticContact CE1-CZ 3.88Å; F23-Y108 AromaticContact CZ-CD1 3.64Å; F23-Y108 HydrophobicContact CZ-CD1 3.64Å; F23-Y108 HydrophobicContact CZ-CD2 4.11Å; F23-Y108 AromaticContact CZ-CE1 3.99Å; F23-Y108 HydrophobicContact CZ-CE1 3.99Å; F23-Y108 HydrophobicContact CZ-CE2 4.42Å; F23-Y108 AromaticContact CZ-CG 3.7Å; F23-Y108 HydrophobicContact CZ-CG 3.7Å; W33-Y108 PolarHBondContact O-OH 2.82Å; L34-Y108 WeakPolarHBondContact CA-OH 3.48Å; L34-Y108 HydrophobicContact CD1-CE2 3.85Å; L34-Y108 WeakPolarHBondContact O-CE2 3.23Å; L34-Y108 PolarHBondContact O-OH 3.12Å; L101-Y108 HydrophobicContact CD1-CD2 3.96Å; L101-Y108 HydrophobicContact CD1-CE2 3.81Å; N105-Y108 PolarHBondContact OD1-N 3.45Å; Y108-P133 HydrophobicContact CD1-CB 3.96Å; Y108-P133 HydrophobicContact CD1-CG 3.72Å; Y108-P133 HydrophobicContact CE1-CB 3.85Å; Y108-P133 HydrophobicContact CE1-CG 4.09Å
109S93.5Very high93Very high80 Ų8068.9 Ų68.956%0.55936%0.357SS*.  trans-61.4148169.6176.50000110.4E111S109-E111 VanDerWaalsContact CB-O 3.27Å; S109-E111 WeakPolarHBondContact CB-O 3.18Å; S109-E111 PolarHBondContact OG-N 3.42Å; S109-E111 VanDerWaalsContact OG-N 3.09Å; S109-E111 PolarHBondContact OG-O 3.16Å
110F94.7Very high92.6Very high97 Ų9774 Ų7443%0.42538%0.377SS..SBendtrans-68.4-28.9170.4-175.7-90.7000112.2R103 Q104R103-F110 HydrophobicContact CB-CE2 4.26Å; R103-F110 VanDerWaalsContact CD-CE2 3.46Å; R103-F110 HydrophobicContact CG-CD2 3.73Å; R103-F110 HydrophobicContact CG-CE2 3.62Å; R103-F110 HydrophobicContact CG-CG 4.44Å; R103-F110 HydrophobicContact CG-CZ 4.24Å; R103-F110 VanDerWaalsContact NE-CZ 3.28Å; R103-F110 PolarHBondContact NE-O 2.9Å; R103-F110 PolarHBondContact NH2-O 2.9Å; Q104-F110 HydrophobicContact CB-CD2 4.17Å
111E93.9Very high92.2Very high112 Ų11279.9 Ų79.952%0.52340%0.404SS..SBendtrans-90.1144.2174.4-60.5-52.9148.100110.8S109S109-E111 VanDerWaalsContact CB-O 3.27Å; S109-E111 WeakPolarHBondContact CB-O 3.18Å; S109-E111 PolarHBondContact OG-N 3.42Å; S109-E111 VanDerWaalsContact OG-N 3.09Å; S109-E111 PolarHBondContact OG-O 3.16Å
112P89.9Confident91.9Very high88 Ų8883.6 Ų83.657%0.57142%0.422SS*.PPolyproline II helixtrans-61.6159.7178.127.9-35.3000111.9E114P112-E114 PolarHBondContact O-N 3.05Å
113P87Confident91.5Very high45 Ų4581.2 Ų81.229%0.29241%0.405SS..PPolyproline II helixtrans-55.9135.2173-2233.1000111.4H21 L22 N115H21-P113 WeakPolarHBondContact O-CG 3.37Å; L22-P113 HydrophobicContact CD2-CB 4.17Å; L22-P113 HydrophobicContact CD2-CG 4.05Å; P113-N115 PolarHBondContact O-N 3.19Å
114E85.2Confident91.1Very high212 Ų21278.5 Ų78.599%0.99140%0.398SS*.SBendtrans-60.7-29.8178.3-66.3-179.5175.700112.9P112P112-E114 PolarHBondContact O-N 3.05Å
115N85.4Confident90.7Very high59 Ų5974.6 Ų74.632%0.31639%0.388SS..  trans-131.1111.3176.3-172.6-8.1000109.5P113 F117 M122P113-N115 PolarHBondContact O-N 3.19Å; N115-F117 PolarHBondContact O-N 2.87Å; N115-F117 WeakPolarHBondContact OD1-CA 3.3Å; N115-F117 PolarHBondContact OD1-N 3.25Å; N115-F117 PolarHBondContact OD1-O 3.37Å; N115-M122 HydrophobicContact CB-CE 4.43Å
116E85.7Confident90.4Very high122 Ų12276.1 Ų76.157%0.5740%0.395SS*.SBendtrans-74.1-17.6176.3-63.4-178.6174.400112.8P118E116-P118 VanDerWaalsContact C-CD 3.45Å
117F88.1Confident89.9Confident114 Ų11472.6 Ų72.650%0.537%0.37SS..SBendtrans-128.361.3-178.4-59.4-85.4000111.3N115N115-F117 PolarHBondContact O-N 2.87Å; N115-F117 WeakPolarHBondContact OD1-CA 3.3Å; N115-F117 PolarHBondContact OD1-N 3.25Å; N115-F117 PolarHBondContact OD1-O 3.37Å
118P91.1Very high89.4Confident3 Ų379.2 Ų79.22%0.01940%0.399CS..  trans-61.9147.4-179.927.7-35000111.2H17 L22 E116 M122H17-P118 PolarHBondContact NE2-O 3.39Å; L22-P118 HydrophobicContact CD1-CG 4.31Å; E116-P118 VanDerWaalsContact C-CD 3.45Å; P118-M122 HydrophobicContact CB-CB 4.21Å
119S91.8Very high89Confident46 Ų4681.6 Ų81.632%0.32242%0.422SS..  trans-68.5162165950000110E121 M122 L123S119-E121 WeakPolarHBondContact CB-OE2 3.05Å; S119-E121 PolarHBondContact O-N 3.48Å; S119-E121 PolarHBondContact OG-N 2.85Å; S119-E121 PolarHBondContact OG-OE2 2.69Å; S119-M122 PolarHBondContact O-N 3.1Å; S119-M122 PolarHBondContact OG-N 2.78Å; S119-L123 PolarHBondContact O-N 2.93Å
120R90.1Very high88.5Confident108 Ų10882.8 Ų82.841%0.40842%0.422SS..Hα-helixtrans-59.9-37.9176-172.2174.2-177.7170.3-0.6111.8W16 L123 N124W16-R120 HydrophobicContact CD2-CB 3.93Å; W16-R120 HydrophobicContact CD2-CG 4.25Å; W16-R120 HydrophobicContact CE3-CB 4.14Å; W16-R120 HydrophobicContact CE3-CG 4.05Å; W16-R120 HydrophobicContact CG-CB 4.35Å; W16-R120 HydrophobicContact CZ2-CB 4.38Å; W16-R120 HydrophobicContact CZ3-CB 4.47Å; W16-R120 HydrophobicContact CZ3-CG 4.45Å; R120-L123 PolarHBondContact O-N 3.24Å; R120-N124 VanDerWaalsContact O-CB 3.31Å; R120-N124 WeakPolarHBondContact O-CB 3.21Å; R120-N124 PolarHBondContact O-N 2.64Å; R120-N124 PolarHBondContact O-ND2 2.87Å
121E90.6Very high88.2Confident125 Ų12581.9 Ų81.958%0.58443%0.428SS*.Hα-helixtrans-66.5-41.4177.9-59.869.4-145.700111.6S119 N124 S125S119-E121 WeakPolarHBondContact CB-OE2 3.05Å; S119-E121 PolarHBondContact O-N 3.48Å; S119-E121 PolarHBondContact OG-N 2.85Å; S119-E121 PolarHBondContact OG-OE2 2.69Å; E121-N124 PolarHBondContact O-N 2.81Å; E121-S125 WeakPolarHBondContact O-CB 3.13Å; E121-S125 PolarHBondContact O-N 3.33Å; E121-S125 PolarHBondContact O-OG 2.88Å
122M90.6Very high87.8Confident86 Ų8677.6 Ų77.642%0.42441%0.408SS..Hα-helixtrans-60.7-51.3174.6-67.4178.769.300110.1N115 P118 S119 N124 S125 M126N115-M122 HydrophobicContact CB-CE 4.43Å; P118-M122 HydrophobicContact CB-CB 4.21Å; S119-M122 PolarHBondContact O-N 3.1Å; S119-M122 PolarHBondContact OG-N 2.78Å; M122-N124 VanDerWaalsContact C-N 3.34Å; M122-N124 PolarHBondContact O-N 2.82Å; M122-S125 WeakPolarHBondContact O-CB 2.98Å; M122-S125 PolarHBondContact O-N 2.83Å; M122-M126 WeakPolarHBondContact O-CG 3.33Å; M122-M126 PolarHBondContact O-N 3.24Å
123L89.1Confident87.8Confident0 Ų075 Ų750%039%0.391CS..Hα-helixtrans-61.7-42.6-179.6-174.162.7000112.1W16 V19 S119 R120 S125 M126 I127 I132 F189W16-L123 HydrophobicContact CB-CD2 3.45Å; W16-L123 VanDerWaalsContact CB-CD2 3.45Å; W16-L123 WeakPolarHBondContact O-CD2 3.37Å; V19-L123 HydrophobicContact CG1-CD2 4.22Å; V19-L123 HydrophobicContact CG2-CD2 4.39Å; S119-L123 PolarHBondContact O-N 2.93Å; R120-L123 PolarHBondContact O-N 3.24Å; L123-S125 VanDerWaalsContact C-N 3.26Å; L123-S125 PolarHBondContact O-N 3.01Å; L123-M126 PolarHBondContact O-N 2.88Å; L123-I127 HydrophobicContact CG-CD1 4.01Å; L123-I127 WeakPolarHBondContact O-CB 3.28Å; L123-I127 WeakPolarHBondContact O-CG1 3.44Å; L123-I127 PolarHBondContact O-N 2.66Å; L123-I132 HydrophobicContact CD1-CD1 4.18Å; L123-I132 HydrophobicContact CD1-CG2 4.23Å; L123-F189 HydrophobicContact CD2-CE1 4.16Å; L123-F189 HydrophobicContact CD2-CE2 4.19Å; L123-F189 HydrophobicContact CD2-CZ 3.42Å; L123-F189 VanDerWaalsContact CD2-CZ 3.42Å; L123-F189 HydrophobicContact CG-CZ 4.41Å
124N87.3Confident87.9Confident36 Ų3676 Ų7619%0.19339%0.389CS..Hα-helixtrans-59.8-36.9174.7-77.2-22000112.3R120 E121 M122 K128R120-N124 VanDerWaalsContact O-CB 3.31Å; R120-N124 WeakPolarHBondContact O-CB 3.21Å; R120-N124 PolarHBondContact O-N 2.64Å; R120-N124 PolarHBondContact O-ND2 2.87Å; E121-N124 PolarHBondContact O-N 2.81Å; M122-N124 VanDerWaalsContact C-N 3.34Å; M122-N124 PolarHBondContact O-N 2.82Å; N124-K128 VanDerWaalsContact O-CG 3.27Å; N124-K128 WeakPolarHBondContact O-CG 3.44Å; N124-K128 PolarHBondContact O-N 3.5Å
125S89.5Confident88.1Confident73 Ų7366.2 Ų66.251%0.5134%0.344SS..Hα-helixtrans-69.1-43.6176.7-58.30000111.2E121 M122 L123 I127 K128 A129E121-S125 WeakPolarHBondContact O-CB 3.13Å; E121-S125 PolarHBondContact O-N 3.33Å; E121-S125 PolarHBondContact O-OG 2.88Å; M122-S125 WeakPolarHBondContact O-CB 2.98Å; M122-S125 PolarHBondContact O-N 2.83Å; L123-S125 VanDerWaalsContact C-N 3.26Å; L123-S125 PolarHBondContact O-N 3.01Å; S125-I127 VanDerWaalsContact C-N 3.34Å; S125-I127 PolarHBondContact O-N 2.94Å; S125-K128 PolarHBondContact O-N 3.29Å; S125-A129 WeakPolarHBondContact O-CB 3.39Å; S125-A129 PolarHBondContact O-N 3.5Å
126M88.7Confident88.3Confident66 Ų6664.5 Ų64.533%0.32534%0.34SS..Hα-helixtrans-65-38.4176.6-59.7170.675.700112.1M122 L123 A129 N130 S131 I132M122-M126 WeakPolarHBondContact O-CG 3.33Å; M122-M126 PolarHBondContact O-N 3.24Å; L123-M126 PolarHBondContact O-N 2.88Å; M126-A129 CarbonylContact O-C 3.59Å; M126-A129 PolarHBondContact O-N 3.34Å; M126-N130 PolarHBondContact O-N 3.36Å; M126-N130 VanDerWaalsContact O-N 3.13Å; M126-S131 PolarHBondContact O-N 2.97Å; M126-I132 HydrophobicContact CB-CG2 3.76Å; M126-I132 HydrophobicContact CE-CG2 3.68Å; M126-I132 HydrophobicContact SD-CG2 4.28Å
127I84.7Confident88.5Confident18 Ų1865 Ų659%0.09234%0.341CS..Hα-helixtrans-56-52.9170.8-83.4163.1000110.8L123 S125 A129 N130 I132 V185 L188 F189L123-I127 HydrophobicContact CG-CD1 4.01Å; L123-I127 WeakPolarHBondContact O-CB 3.28Å; L123-I127 WeakPolarHBondContact O-CG1 3.44Å; L123-I127 PolarHBondContact O-N 2.66Å; S125-I127 VanDerWaalsContact C-N 3.34Å; S125-I127 PolarHBondContact O-N 2.94Å; I127-A129 VanDerWaalsContact C-N 3.26Å; I127-A129 PolarHBondContact O-N 2.64Å; I127-N130 PolarHBondContact O-N 3.3Å; I127-I132 HydrophobicContact CD1-CD1 4.17Å; I127-I132 HydrophobicContact CG1-CD1 3.38Å; I127-I132 HydrophobicContact CG1-CG1 3.98Å; I127-V185 HydrophobicContact CB-CG1 4.19Å; I127-V185 HydrophobicContact CD1-CG1 4.02Å; I127-V185 HydrophobicContact CG1-CG1 3.94Å; I127-V185 HydrophobicContact CG2-CB 3.85Å; I127-V185 HydrophobicContact CG2-CG1 3.25Å; I127-V185 HydrophobicContact CG2-CG2 4.5Å; I127-L188 HydrophobicContact CD1-CD1 3.89Å; I127-F189 HydrophobicContact CD1-CE2 4.45Å; I127-F189 HydrophobicContact CD1-CZ 4.5Å
128K84.2Confident88.7Confident157 Ų15763.2 Ų63.268%0.68333%0.331SS*.Hα-helixtrans-64.5-33.7-178-74.6172.4-176.7177.90112N124 S125 N130N124-K128 VanDerWaalsContact O-CG 3.27Å; N124-K128 WeakPolarHBondContact O-CG 3.44Å; N124-K128 PolarHBondContact O-N 3.5Å; S125-K128 PolarHBondContact O-N 3.29Å; K128-N130 PolarHBondContact O-N 2.84Å
129A88Confident88.8Confident66 Ų6664.1 Ų64.155%0.54534%0.337SS..THydrogen-bonded Turntrans-78.8-1.5175.400000113.6S125 M126 I127 S131S125-A129 WeakPolarHBondContact O-CB 3.39Å; S125-A129 PolarHBondContact O-N 3.5Å; M126-A129 CarbonylContact O-C 3.59Å; M126-A129 PolarHBondContact O-N 3.34Å; I127-A129 VanDerWaalsContact C-N 3.26Å; I127-A129 PolarHBondContact O-N 2.64Å; A129-S131 VanDerWaalsContact CB-OG 3.3Å; A129-S131 WeakPolarHBondContact CB-OG 3.27Å; A129-S131 PolarHBondContact O-N 2.91Å; A129-S131 PolarHBondContact O-OG 3.29Å
130N83.8Confident89Confident106 Ų10665 Ų6557%0.56734%0.343SS*.THydrogen-bonded Turntrans54.234.1-174.6-164.546.2000112.6M126 I127 K128M126-N130 PolarHBondContact O-N 3.36Å; M126-N130 VanDerWaalsContact O-N 3.13Å; I127-N130 PolarHBondContact O-N 3.3Å; K128-N130 PolarHBondContact O-N 2.84Å
131S86.7Confident89.2Confident78 Ų7861.1 Ų61.155%0.54533%0.33SS..  trans-95.3-5.1-175.6-53.10000113.3M126 A129M126-S131 PolarHBondContact O-N 2.97Å; A129-S131 VanDerWaalsContact CB-OG 3.3Å; A129-S131 WeakPolarHBondContact CB-OG 3.27Å; A129-S131 PolarHBondContact O-N 2.91Å; A129-S131 PolarHBondContact O-OG 3.29Å
132I86.6Confident89.5Confident22 Ų2255.2 Ų55.211%0.11330%0.303CS..SBendtrans-104.6141.6173.557.2160000112L123 M126 I127 W134L123-I132 HydrophobicContact CD1-CD1 4.18Å; L123-I132 HydrophobicContact CD1-CG2 4.23Å; M126-I132 HydrophobicContact CB-CG2 3.76Å; M126-I132 HydrophobicContact CE-CG2 3.68Å; M126-I132 HydrophobicContact SD-CG2 4.28Å; I127-I132 HydrophobicContact CD1-CD1 4.17Å; I127-I132 HydrophobicContact CG1-CD1 3.38Å; I127-I132 HydrophobicContact CG1-CG1 3.98Å; I132-W134 PolarHBondContact O-N 2.72Å
133P89.7Confident89.6Confident34 Ų3451.7 Ų51.722%0.22129%0.286CS..  trans-58.4125.5167.2-23.233.7000111.1H21 L36 Y107 Y108H21-P133 HydrophobicContact CB-CG 4.28Å; L36-P133 HydrophobicContact CD1-CB 3.49Å; L36-P133 VanDerWaalsContact CD1-CB 3.49Å; Y107-P133 WeakPolarHBondContact O-CB 3.31Å; Y107-P133 WeakPolarHBondContact O-CG 3.45Å; Y108-P133 HydrophobicContact CD1-CB 3.96Å; Y108-P133 HydrophobicContact CD1-CG 3.72Å; Y108-P133 HydrophobicContact CE1-CB 3.85Å; Y108-P133 HydrophobicContact CE1-CG 4.09Å
134W88.2Confident90Very high66 Ų6652 Ų5225%0.2529%0.288CS..  trans-147.4136.4179.8178.855.9000111.9I132 G136 K137 V185I132-W134 PolarHBondContact O-N 2.72Å; W134-G136 VanDerWaalsContact C-N 3.26Å; W134-G136 PolarHBondContact O-N 3.26Å; W134-K137 WeakPolarHBondContact O-CB 3.18Å; W134-K137 PolarHBondContact O-N 3.32Å; W134-V185 HydrophobicContact CH2-CG2 3.95Å; W134-V185 HydrophobicContact CZ2-CG2 4.38Å; W134-V185 HydrophobicContact CZ3-CG2 4.11Å
135S90.6Very high90.4Very high6 Ų650.6 Ų50.64%0.04228%0.281CS..G310 helixtrans-65.9-26.1-178.3560000114.1L36 K137 Y138 S139 I141L36-S135 WeakPolarHBondContact O-CA 3.41Å; L36-S135 WeakPolarHBondContact O-CB 3.23Å; S135-K137 PolarHBondContact O-N 3.19Å; S135-K137 VanDerWaalsContact O-N 3.14Å; S135-Y138 PolarHBondContact O-N 2.91Å; S135-S139 PolarHBondContact O-N 2.65Å; S135-S139 VanDerWaalsContact O-N 3.16Å; S135-I141 WeakPolarHBondContact OG-CD1 3.43Å
136G89.7Confident90.7Very high22 Ų2247.4 Ų47.423%0.22726%0.26CS..G310 helixtrans-65.4-12.4176.300000114.8W134 Y138 S139W134-G136 VanDerWaalsContact C-N 3.26Å; W134-G136 PolarHBondContact O-N 3.26Å; G136-Y138 VanDerWaalsContact C-N 3.28Å; G136-S139 WeakPolarHBondContact CA-O 3.47Å
137K89.1Confident91.1Very high134 Ų13444.6 Ų44.658%0.58325%0.246SC*.G310 helixtrans-68.5-27.6169-177179175.1-175.40112.6W134 S135W134-K137 WeakPolarHBondContact O-CB 3.18Å; W134-K137 PolarHBondContact O-N 3.32Å; S135-K137 PolarHBondContact O-N 3.19Å; S135-K137 VanDerWaalsContact O-N 3.14Å
138Y93.2Very high91.7Very high76 Ų7646.7 Ų46.730%0.29826%0.255SS..THydrogen-bonded Turntrans-111.2-25.6-170.1-57.7-83.9000113.5L36 Q37 Y107 S135 G136L36-Y138 HydrophobicContact CB-CD2 3.8Å; L36-Y138 HydrophobicContact CB-CE2 3.73Å; L36-Y138 HydrophobicContact CD1-CE2 4.38Å; Q37-Y138 HydrophobicContact CB-CD1 3.96Å; Q37-Y138 HydrophobicContact CB-CG 3.97Å; Q37-Y138 HydrophobicContact CG-CD1 3.96Å; Q37-Y138 HydrophobicContact CG-CG 4.21Å; Y107-Y138 HydrophobicContact CD1-CE2 4.18Å; Y107-Y138 HydrophobicContact CE1-CE1 4.42Å; Y107-Y138 HydrophobicContact CE1-CE2 4.31Å; S135-Y138 PolarHBondContact O-N 2.91Å; G136-Y138 VanDerWaalsContact C-N 3.28Å
139S93.1Very high92.4Very high21 Ų2139.7 Ų39.715%0.14723%0.226CC..SBendtrans-152.3158.5-178.563.80000111.5S135 G136 I141S135-S139 PolarHBondContact O-N 2.65Å; S135-S139 VanDerWaalsContact O-N 3.16Å; G136-S139 WeakPolarHBondContact CA-O 3.47Å; S139-I141 PolarHBondContact O-N 2.78Å
140S94.5Very high92.8Very high64 Ų6441.1 Ų41.145%0.44823%0.225SC..  trans-67.2132.7171.3-55.20000110.2A149S140-A149 WeakPolarHBondContact O-CB 3.43Å; S140-A149 PolarHBondContact O-N 2.61Å
141I95.2Very high93.4Very high27 Ų2740.5 Ų40.514%0.13822%0.217CC..BIsolated β-bridgetrans-111.2138.1-178.8-58.2-57.9000109.5L39 S135 S139 G146L39-I141 HydrophobicContact CD1-CD1 3.64Å; S135-I141 WeakPolarHBondContact OG-CD1 3.43Å; S139-I141 PolarHBondContact O-N 2.78Å; I141-G146 WeakPolarHBondContact CG2-O 3.18Å
142C96Very high93.8Very high1 Ų139.9 Ų39.91%0.00721%0.21CC..  trans-71.6122.5178.1-176.10000110.1I144 C145 G146 C147 A149 C162C142-I144 PolarHBondContact O-N 2.92Å; C142-C145 PolarHBondContact O-N 2.87Å; C142-G146 WeakPolarHBondContact O-CA 3.4Å; C142-G146 PolarHBondContact O-N 3.46Å; C142-C147 WeakPolarHBondContact CB-O 3.35Å; C142-C147 PolarHBondContact N-O 2.91Å; C142-A149 HydrophobicContact CB-CB 4.25Å; C142-C162 HydrophobicContact CB-CB 4.14Å
143P94.3Very high94.2Very high12 Ų1239 Ų398%0.07821%0.205CC..THydrogen-bonded Turntrans-64.7-24.7-176.725.3-35000113R30 T159 S160 Y161 L187R30-P143 PolarHBondContact NE-O 3.1Å; R30-P143 PolarHBondContact NH2-O 3.21Å; P143-T159 HydrophobicContact CG-CG2 3.95Å; P143-S160 VanDerWaalsContact CD-O 3.26Å; P143-S160 WeakPolarHBondContact CD-O 3.2Å; P143-Y161 HydrophobicContact CG-CD1 4.1Å; P143-Y161 HydrophobicContact CG-CE1 3.61Å; P143-L187 HydrophobicContact CB-CD1 3.74Å
144I96Very high94.3Very high8 Ų841.6 Ų41.64%0.04122%0.224CC..THydrogen-bonded Turntrans-74.8-49.5179.4-65.1-55.3000112.4C142 H166 L169 D170 N192 F194 L195C142-I144 PolarHBondContact O-N 2.92Å; I144-H166 HydrophobicContact CB-CB 4.06Å; I144-H166 HydrophobicContact CG1-CB 4.02Å; I144-H166 HydrophobicContact CG2-CB 4.33Å; I144-L169 HydrophobicContact CD1-CD2 4.36Å; I144-L169 HydrophobicContact CG2-CD2 3.83Å; I144-D170 HydrophobicContact CD1-CB 3.69Å; I144-D170 HydrophobicContact CG1-CB 3.91Å; I144-N192 PolarHBondContact O-ND2 3.47Å; I144-F194 HydrophobicContact CG2-CB 3.67Å; I144-F194 HydrophobicContact CG2-CD1 3.87Å; I144-F194 HydrophobicContact CG2-CG 3.92Å; I144-L195 VanDerWaalsContact O-CD2 3.32Å; I144-L195 WeakPolarHBondContact O-CD2 3.26Å
145C96.9Very high94.6Very high5 Ų545.7 Ų45.73%0.03424%0.244CC..THydrogen-bonded Turntrans-118.2-6.5-168.169.20000115.5P31 C142 C147 C162 H166 F194P31-C145 WeakPolarHBondContact CD-O 3.27Å; C142-C145 PolarHBondContact O-N 2.87Å; C145-C147 PolarHBondContact O-N 3.01Å; C145-C147 VanDerWaalsContact SG-CB 3.6Å; C145-C162 VanDerWaalsContact SG-SG 3.68Å; C145-H166 VanDerWaalsContact SG-CE1 3.58Å; C145-F194 HydrophobicContact CB-CD1 3.8Å; C145-F194 HydrophobicContact CB-CE1 3.49Å; C145-F194 VanDerWaalsContact CB-CE1 3.49Å
146G95.7Very high94.7Very high7 Ų746.4 Ų46.47%0.07225%0.249CC..SBendtrans72.34.8-178.300000115.2W33 I141 C142W33-G146 PolarHBondContact NE1-O 2.82Å; I141-G146 WeakPolarHBondContact CG2-O 3.18Å; C142-G146 WeakPolarHBondContact O-CA 3.4Å; C142-G146 PolarHBondContact O-N 3.46Å
147C97.4Very high94.8Very high6 Ų652.1 Ų52.14%0.04127%0.268CS..SBendtrans-86.1164.3175.5-57.60000111.4W33 L45 C142 C145W33-C147 HydrophobicContact CZ2-CB 4.45Å; L45-C147 HydrophobicContact CD1-CB 4.13Å; C142-C147 WeakPolarHBondContact CB-O 3.35Å; C142-C147 PolarHBondContact N-O 2.91Å; C145-C147 PolarHBondContact O-N 3.01Å; C145-C147 VanDerWaalsContact SG-CB 3.6Å
148K97.5Very high94.9Very high62 Ų6249.9 Ų49.927%0.2727%0.265SS..BIsolated β-bridgetrans-51.8141173.2-172.5167-176.3157.80111.3L39 P42 C162L39-K148 HydrophobicContact CB-CB 4.09Å; L39-K148 HydrophobicContact CB-CD 4.31Å; L39-K148 HydrophobicContact CD1-CB 4.39Å; P42-K148 VanDerWaalsContact CG-O 3.26Å; P42-K148 WeakPolarHBondContact CG-O 3.26Å; K148-C162 VanDerWaalsContact O-CB 3.27Å; K148-C162 WeakPolarHBondContact O-CB 3.24Å
149A97.3Very high94.9Very high10 Ų1046.3 Ų46.38%0.08325%0.251CS..  trans-117.1137.5-179.900000111.4S140 C142 S160 Y161S140-A149 WeakPolarHBondContact O-CB 3.43Å; S140-A149 PolarHBondContact O-N 2.61Å; C142-A149 HydrophobicContact CB-CB 4.25Å; A149-S160 VanDerWaalsContact CB-C 3.46Å; A149-Y161 VanDerWaalsContact CB-C 3.41Å; A149-Y161 WeakPolarHBondContact CB-O 3.45Å
150D96.5Very high95Very high97 Ų9745.6 Ų45.652%0.51925%0.246SC..  trans-126.9-0.9-179.166.6-10.2000113.1P42 Y161P42-D150 HydrophobicContact CG-CB 4.25Å; D150-Y161 PolarHBondContact N-O 3.05Å; D150-Y161 VanDerWaalsContact N-O 3.17Å
151K96.5Very high95.1Very high93 Ų9342.6 Ų42.640%0.40423%0.225SC..EExtended strand (participates in β ladder)trans-118.1100179.5-68.1169.2-166.6-59.80110.8S160 Y161K151-S160 CarbonylContact O-C 3.55Å; K151-S160 WeakPolarHBondContact O-CA 3.12Å; K151-Y161 WeakPolarHBondContact CB-O 3.48Å; K151-Y161 PolarHBondContact N-O 3.27Å; K151-Y161 PolarHBondContact O-N 2.81Å
152T95.4Very high95.3Very high65 Ų6541.5 Ų41.540%0.39922%0.22SC..EExtended strand (participates in β ladder)trans-80.7139.4179.5-46.60000111.8S154 K157 S160T152-S154 PolarHBondContact O-N 2.83Å; T152-K157 VanDerWaalsContact CG2-C 3.46Å; T152-K157 HydrophobicContact CG2-CB 4.48Å; T152-K157 WeakPolarHBondContact CG2-O 3.34Å; T152-S160 PolarHBondContact OG1-OG 3.34Å
153C95.4Very high95.3Very high2 Ų241.9 Ų41.91%0.01422%0.223CC..  trans-54.1125.9172.5176.70000110.6K155 C156 K157 T159 Y161 H174C153-K155 PolarHBondContact O-N 3.3Å; C153-C156 VanDerWaalsContact CB-SG 3.51Å; C153-C156 VanDerWaalsContact SG-SG 3.61Å; C153-K157 WeakPolarHBondContact O-CA 3.31Å; C153-K157 WeakPolarHBondContact O-CD 3.43Å; C153-K157 PolarHBondContact O-N 2.84Å; C153-T159 WeakPolarHBondContact CB-O 3.45Å; C153-T159 PolarHBondContact N-O 2.97Å; C153-Y161 HydrophobicContact CB-CE2 4.36Å; C153-H174 PolarHBondContact SG-NE2 3.36Å; C153-H174 VanDerWaalsContact SG-NE2 3.36Å
154S92.9Very high95.4Very high89 Ų8948.7 Ų48.762%0.62225%0.251SS*.THydrogen-bonded Turntrans-67.1-24.3-176.154.30000113.8T152 K157T152-S154 PolarHBondContact O-N 2.83Å; S154-K157 WeakPolarHBondContact O-CE 3.29Å
155K93.6Very high95.5Very high153 Ų15351.6 Ų51.667%0.66527%0.265SS*.THydrogen-bonded Turntrans-84.8-56.9-177.9-178.3174.8171-1690112.5C153 C178C153-K155 PolarHBondContact O-N 3.3Å; K155-C178 VanDerWaalsContact CD-SG 3.58Å
156C93.1Very high95.5Very high20 Ų2051.3 Ų51.314%0.13526%0.263CS..THydrogen-bonded Turntrans-89-23.9-175.664.80000113.9C153 T158C153-C156 VanDerWaalsContact CB-SG 3.51Å; C153-C156 VanDerWaalsContact SG-SG 3.61Å; C156-T158 PolarHBondContact O-N 2.79Å; C156-T158 PolarHBondContact SG-OG1 3.44Å
157K91.8Very high95.5Very high143 Ų14353.3 Ų53.362%0.62227%0.271SS*.SBendtrans57.810.1-174.4-56.3-67.1-177.6-177.70115.4T152 C153 S154T152-K157 VanDerWaalsContact CG2-C 3.46Å; T152-K157 HydrophobicContact CG2-CB 4.48Å; T152-K157 WeakPolarHBondContact CG2-O 3.34Å; C153-K157 WeakPolarHBondContact O-CA 3.31Å; C153-K157 WeakPolarHBondContact O-CD 3.43Å; C153-K157 PolarHBondContact O-N 2.84Å; S154-K157 WeakPolarHBondContact O-CE 3.29Å
158T90.5Very high95.5Very high86 Ų8657.7 Ų57.753%0.52830%0.297SS..SBendtrans-103-48.8-178.3520000112.3C156C156-T158 PolarHBondContact O-N 2.79Å; C156-T158 PolarHBondContact SG-OG1 3.44Å
159T92.9Very high95.4Very high2 Ų257.9 Ų57.91%0.01230%0.301CS..  trans-84.8134.8179-50.90000110.9P143 C153 Y161 H174P143-T159 HydrophobicContact CG-CG2 3.95Å; C153-T159 WeakPolarHBondContact CB-O 3.45Å; C153-T159 PolarHBondContact N-O 2.97Å; T159-Y161 HydrophobicContact CG2-CE1 4.22Å; T159-Y161 HydrophobicContact CG2-CE2 3.97Å; T159-H174 PolarHBondContact OG1-CE1 3Å; T159-H174 VanDerWaalsContact OG1-CE1 3.28Å
160S95.6Very high95.2Very high6 Ų657.7 Ų57.74%0.04230%0.299CS..EExtended strand (participates in β ladder)trans-123.5152176.9-58.30000112.1P143 A149 K151 T152P143-S160 VanDerWaalsContact CD-O 3.26Å; P143-S160 WeakPolarHBondContact CD-O 3.2Å; A149-S160 VanDerWaalsContact CB-C 3.46Å; K151-S160 CarbonylContact O-C 3.55Å; K151-S160 WeakPolarHBondContact O-CA 3.12Å; T152-S160 PolarHBondContact OG1-OG 3.34Å
161Y97.3Very high95.1Very high0 Ų059.2 Ų59.20%030%0.297CS..EExtended strand (participates in β ladder)trans-124.9153-177.6-56.3-85.2000110.8P143 A149 D150 K151 C153 T159 S163 H166 Q167 D170 H174P143-Y161 HydrophobicContact CG-CD1 4.1Å; P143-Y161 HydrophobicContact CG-CE1 3.61Å; A149-Y161 VanDerWaalsContact CB-C 3.41Å; A149-Y161 WeakPolarHBondContact CB-O 3.45Å; D150-Y161 PolarHBondContact N-O 3.05Å; D150-Y161 VanDerWaalsContact N-O 3.17Å; K151-Y161 WeakPolarHBondContact CB-O 3.48Å; K151-Y161 PolarHBondContact N-O 3.27Å; K151-Y161 PolarHBondContact O-N 2.81Å; C153-Y161 HydrophobicContact CB-CE2 4.36Å; T159-Y161 HydrophobicContact CG2-CE1 4.22Å; T159-Y161 HydrophobicContact CG2-CE2 3.97Å; Y161-S163 WeakPolarHBondContact CB-O 3.29Å; Y161-H166 HydrophobicContact CD1-CB 4.31Å; Y161-Q167 HydrophobicContact CD1-CB 4.21Å; Y161-Q167 HydrophobicContact CD2-CB 3.61Å; Y161-Q167 HydrophobicContact CD2-CG 3.69Å; Y161-Q167 HydrophobicContact CE2-CB 4Å; Y161-Q167 HydrophobicContact CE2-CG 3.67Å; Y161-Q167 HydrophobicContact CG-CB 3.72Å; Y161-Q167 HydrophobicContact CG-CG 4.31Å; Y161-D170 HydrophobicContact CD1-CB 4.5Å; Y161-D170 HydrophobicContact CE1-CB 3.54Å; Y161-D170 WeakPolarHBondContact CE1-OD2 3.43Å; Y161-D170 PolarHBondContact OH-OD2 2.87Å; Y161-H174 VanDerWaalsContact OH-CG 3.27Å
162C97.8Very high94.8Very high5 Ų563 Ų633%0.03431%0.314CS..SBendtrans-76-15.3172.170.90000112.4P42 C142 C145 K148 H166P42-C162 HydrophobicContact CB-CB 4.06Å; P42-C162 WeakPolarHBondContact CB-O 3.4Å; P42-C162 HydrophobicContact CG-CB 3.85Å; C142-C162 HydrophobicContact CB-CB 4.14Å; C145-C162 VanDerWaalsContact SG-SG 3.68Å; K148-C162 VanDerWaalsContact O-CB 3.27Å; K148-C162 WeakPolarHBondContact O-CB 3.24Å; C162-H166 VanDerWaalsContact SG-CE1 3.59Å; C162-H166 PolarHBondContact SG-ND1 3.45Å
163S97.8Very high94.6Very high9 Ų962.3 Ų62.36%0.06330%0.303CS..SBendtrans-158.2161.5-17871.40000112.2P53 Y161 M165 H166 Q167P53-S163 VanDerWaalsContact CG-CB 3.41Å; P53-S163 VanDerWaalsContact CG-OG 3.23Å; P53-S163 WeakPolarHBondContact CG-OG 3.35Å; Y161-S163 WeakPolarHBondContact CB-O 3.29Å; S163-M165 PolarHBondContact O-N 2.8Å; S163-M165 PolarHBondContact OG-N 3.46Å; S163-H166 PolarHBondContact O-N 3.04Å; S163-H166 PolarHBondContact OG-N 3.49Å; S163-Q167 PolarHBondContact O-N 2.91Å
164K96.5Very high94.5Very high155 Ų15562.2 Ų62.267%0.67430%0.303SS*.Hα-helixtrans-61.8-35.1168.9-173.8178.9179.6-176.50111.3H166 Q167 V168K164-H166 PolarHBondContact O-N 2.92Å; K164-Q167 PolarHBondContact O-N 3.39Å; K164-V168 WeakPolarHBondContact O-CG2 3.44Å; K164-V168 PolarHBondContact O-N 2.77Å
165M96.8Very high94.5Very high68 Ų6863.3 Ų63.334%0.33530%0.297SS..Hα-helixtrans-57.9-48.2177.1-175.5-175.882.900111.3N52 P53 S163 V168 L169 F194N52-M165 HydrophobicContact CB-CE 4.44Å; N52-M165 HydrophobicContact CB-SD 3.99Å; P53-M165 HydrophobicContact CB-CE 4.32Å; P53-M165 HydrophobicContact CG-CE 3.99Å; S163-M165 PolarHBondContact O-N 2.8Å; S163-M165 PolarHBondContact OG-N 3.46Å; M165-V168 PolarHBondContact O-N 2.79Å; M165-L169 WeakPolarHBondContact O-CB 3.39Å; M165-L169 PolarHBondContact O-N 2.75Å; M165-F194 HydrophobicContact CE-CD2 3.94Å; M165-F194 HydrophobicContact CE-CE2 3.65Å
166H97.4Very high94.3Very high0 Ų062.6 Ų62.60%030%0.299CS..Hα-helixtrans-70.4-32.4178.9-72.3-177.1000112.9I144 C145 Y161 C162 S163 K164 V168 L169 D170 F194I144-H166 HydrophobicContact CB-CB 4.06Å; I144-H166 HydrophobicContact CG1-CB 4.02Å; I144-H166 HydrophobicContact CG2-CB 4.33Å; C145-H166 VanDerWaalsContact SG-CE1 3.58Å; Y161-H166 HydrophobicContact CD1-CB 4.31Å; C162-H166 VanDerWaalsContact SG-CE1 3.59Å; C162-H166 PolarHBondContact SG-ND1 3.45Å; S163-H166 PolarHBondContact O-N 3.04Å; S163-H166 PolarHBondContact OG-N 3.49Å; K164-H166 PolarHBondContact O-N 2.92Å; H166-V168 VanDerWaalsContact C-N 3.34Å; H166-L169 PolarHBondContact O-N 2.96Å; H166-D170 WeakPolarHBondContact O-CB 3.39Å; H166-D170 PolarHBondContact O-N 3.04Å; H166-F194 AromaticContact CE1-CD1 3.73Å; H166-F194 AromaticContact CE1-CE1 3.41Å; H166-F194 VanDerWaalsContact CE1-CE1 3.41Å; H166-F194 WeakPolarHBondContact CE1-CE1 3.47Å; H166-F194 AromaticContact CE1-CE2 3.9Å; H166-F194 AromaticContact CE1-CZ 3.49Å; H166-F194 VanDerWaalsContact CE1-CZ 3.49Å; H166-F194 WeakPolarHBondContact CE1-CZ 3.4Å; H166-F194 AromaticContact NE2-CD1 3.65Å; H166-F194 AromaticContact NE2-CD2 3.34Å; H166-F194 VanDerWaalsContact NE2-CD2 3.34Å; H166-F194 WeakPolarHBondContact NE2-CD2 3.4Å; H166-F194 AromaticContact NE2-CE1 3.53Å; H166-F194 AromaticContact NE2-CE2 3.19Å; H166-F194 WeakPolarHBondContact NE2-CE2 3.4Å; H166-F194 AromaticContact NE2-CG 3.56Å; H166-F194 AromaticContact NE2-CZ 3.28Å; H166-F194 VanDerWaalsContact NE2-CZ 3.28Å; H166-F194 WeakPolarHBondContact NE2-CZ 3.41Å
167Q96Very high94.1Very high48 Ų4865.3 Ų65.322%0.22431%0.31CS..Hα-helixtrans-61.8-43.1172.1-176.1178.613.600111.7Y161 S163 K164 W171Y161-Q167 HydrophobicContact CD1-CB 4.21Å; Y161-Q167 HydrophobicContact CD2-CB 3.61Å; Y161-Q167 HydrophobicContact CD2-CG 3.69Å; Y161-Q167 HydrophobicContact CE2-CB 4Å; Y161-Q167 HydrophobicContact CE2-CG 3.67Å; Y161-Q167 HydrophobicContact CG-CB 3.72Å; Y161-Q167 HydrophobicContact CG-CG 4.31Å; S163-Q167 PolarHBondContact O-N 2.91Å; K164-Q167 PolarHBondContact O-N 3.39Å; Q167-W171 PolarHBondContact O-N 2.83Å
168V96.4Very high94.1Very high99 Ų9959.3 Ų59.360%0.629%0.286SS*.Hα-helixtrans-66.8-41.7176.8172.20000110.8K164 M165 H166 D170 W171K164-V168 WeakPolarHBondContact O-CG2 3.44Å; K164-V168 PolarHBondContact O-N 2.77Å; M165-V168 PolarHBondContact O-N 2.79Å; H166-V168 VanDerWaalsContact C-N 3.34Å; V168-D170 PolarHBondContact O-N 3.18Å; V168-W171 WeakPolarHBondContact O-CB 3.46Å; V168-W171 PolarHBondContact O-N 3.1Å
169L95.4Very high93.8Very high65 Ų6558.2 Ų58.234%0.3429%0.291SS..Hα-helixtrans-61.7-43.7179-170.168.5000112.1I144 M165 H166 W171 F194I144-L169 HydrophobicContact CD1-CD2 4.36Å; I144-L169 HydrophobicContact CG2-CD2 3.83Å; M165-L169 WeakPolarHBondContact O-CB 3.39Å; M165-L169 PolarHBondContact O-N 2.75Å; H166-L169 PolarHBondContact O-N 2.96Å; L169-W171 PolarHBondContact O-N 2.85Å; L169-F194 HydrophobicContact CD2-CB 3.61Å
170D94.5Very high93.3Very high7 Ų761.4 Ų61.44%0.03731%0.314CS..Hα-helixtrans-73.1-12.6179.8-165.238000113.4I144 Y161 H166 V168 K172 R173 H174I144-D170 HydrophobicContact CD1-CB 3.69Å; I144-D170 HydrophobicContact CG1-CB 3.91Å; Y161-D170 HydrophobicContact CD1-CB 4.5Å; Y161-D170 HydrophobicContact CE1-CB 3.54Å; Y161-D170 WeakPolarHBondContact CE1-OD2 3.43Å; Y161-D170 PolarHBondContact OH-OD2 2.87Å; H166-D170 WeakPolarHBondContact O-CB 3.39Å; H166-D170 PolarHBondContact O-N 3.04Å; V168-D170 PolarHBondContact O-N 3.18Å; D170-K172 PolarHBondContact O-N 3.39Å; D170-K172 VanDerWaalsContact O-N 3.09Å; D170-R173 VanDerWaalsContact CG-NH2 3.26Å; D170-R173 PolarHBondContact O-N 3.23Å; D170-R173 IonicContact OD1-CZ 3.16Å; D170-R173 VanDerWaalsContact OD1-CZ 3.28Å; D170-R173 IonicContact OD1-NE 3.7Å; D170-R173 PolarHBondContact OD1-NE 2.72Å; D170-R173 IonicContact OD1-NH2 3.67Å; D170-R173 PolarHBondContact OD1-NH2 3.16Å; D170-R173 IonicContact OD2-CZ 2.61Å; D170-R173 IonicContact OD2-NH2 3.96Å; D170-R173 PolarHBondContact OD2-NH2 3.12Å; D170-H174 WeakPolarHBondContact O-CB 2.9Å; D170-H174 PolarHBondContact O-N 2.93Å
171W93.5Very high91.9Very high129 Ų12971 Ų7149%0.48935%0.354SS..Hα-helixtrans-57.4-33.9-170.4-175.3-118.2000113.5Q167 V168 L169 R173 K175Q167-W171 PolarHBondContact O-N 2.83Å; V168-W171 WeakPolarHBondContact O-CB 3.46Å; V168-W171 PolarHBondContact O-N 3.1Å; L169-W171 PolarHBondContact O-N 2.85Å; W171-R173 PolarHBondContact O-N 2.9Å; W171-K175 HydrophobicContact CD2-CB 4.09Å; W171-K175 HydrophobicContact CE3-CB 4.36Å; W171-K175 HydrophobicContact CH2-CB 4.24Å; W171-K175 HydrophobicContact CZ2-CB 3.96Å; W171-K175 HydrophobicContact CZ3-CB 4.42Å; W171-K175 WeakPolarHBondContact O-CB 3.39Å; W171-K175 WeakPolarHBondContact O-CG 3.37Å; W171-K175 PolarHBondContact O-N 3.1Å
172K91.2Very high90.1Very high173 Ų17372.5 Ų72.575%0.75237%0.365SS*.Hα-helixtrans-57.6-39.2177.5-70-177-179177.80112.2D170 K175D170-K172 PolarHBondContact O-N 3.39Å; D170-K172 VanDerWaalsContact O-N 3.09Å; K172-K175 VanDerWaalsContact O-CE 3.28Å; K172-K175 WeakPolarHBondContact O-CE 3.47Å
173R91.1Very high88.5Confident49 Ų4978.7 Ų78.719%0.18539%0.393CS..Hα-helixtrans-86.1-56.4177.1-175.4-166.765.983.5-3110.4D170 W171 K175 L176 E177 L187D170-R173 VanDerWaalsContact CG-NH2 3.26Å; D170-R173 PolarHBondContact O-N 3.23Å; D170-R173 IonicContact OD1-CZ 3.16Å; D170-R173 VanDerWaalsContact OD1-CZ 3.28Å; D170-R173 IonicContact OD1-NE 3.7Å; D170-R173 PolarHBondContact OD1-NE 2.72Å; D170-R173 IonicContact OD1-NH2 3.67Å; D170-R173 PolarHBondContact OD1-NH2 3.16Å; D170-R173 IonicContact OD2-CZ 2.61Å; D170-R173 IonicContact OD2-NH2 3.96Å; D170-R173 PolarHBondContact OD2-NH2 3.12Å; W171-R173 PolarHBondContact O-N 2.9Å; R173-K175 VanDerWaalsContact C-N 3.26Å; R173-K175 PolarHBondContact O-N 3.41Å; R173-K175 VanDerWaalsContact O-N 3.12Å; R173-L176 WeakPolarHBondContact O-CB 3.45Å; R173-L176 PolarHBondContact O-N 3.4Å; R173-E177 IonicContact NH1-OE2 3.8Å; R173-E177 PolarHBondContact NH1-OE2 3.4Å; R173-L187 VanDerWaalsContact CZ-CD1 3.43Å
174H91.7Very high86.8Confident1 Ų180.7 Ų80.71%0.00540%0.403CS..Hα-helixtrans-57.7-33.7-173.3-17466000113.4C153 T159 Y161 D170 L176 E177 C178C153-H174 PolarHBondContact SG-NE2 3.36Å; C153-H174 VanDerWaalsContact SG-NE2 3.36Å; T159-H174 PolarHBondContact OG1-CE1 3Å; T159-H174 VanDerWaalsContact OG1-CE1 3.28Å; Y161-H174 VanDerWaalsContact OH-CG 3.27Å; D170-H174 WeakPolarHBondContact O-CB 2.9Å; D170-H174 PolarHBondContact O-N 2.93Å; H174-L176 PolarHBondContact O-N 3.46Å; H174-L176 VanDerWaalsContact O-N 3.1Å; H174-E177 CarbonylContact O-C 3.56Å; H174-E177 PolarHBondContact O-N 2.61Å; H174-E177 VanDerWaalsContact O-N 3.11Å; H174-C178 WeakPolarHBondContact O-CA 3.46Å; H174-C178 WeakPolarHBondContact O-CB 3.1Å; H174-C178 PolarHBondContact O-N 2.84Å
175K92.6Very high85.3Confident112 Ų11275 Ų7549%0.48738%0.381SS..Hα-helixtrans-56.5-29.9178.472-174.2-178.3173.30113.6W171 K172 R173W171-K175 HydrophobicContact CD2-CB 4.09Å; W171-K175 HydrophobicContact CE3-CB 4.36Å; W171-K175 HydrophobicContact CH2-CB 4.24Å; W171-K175 HydrophobicContact CZ2-CB 3.96Å; W171-K175 HydrophobicContact CZ3-CB 4.42Å; W171-K175 WeakPolarHBondContact O-CB 3.39Å; W171-K175 WeakPolarHBondContact O-CG 3.37Å; W171-K175 PolarHBondContact O-N 3.1Å; K172-K175 VanDerWaalsContact O-CE 3.28Å; K172-K175 WeakPolarHBondContact O-CE 3.47Å; R173-K175 VanDerWaalsContact C-N 3.26Å; R173-K175 PolarHBondContact O-N 3.41Å; R173-K175 VanDerWaalsContact O-N 3.12Å
176L90.8Very high83.8Confident138 Ų13874.7 Ų74.772%0.72338%0.38SS*.Hα-helixtrans-81.1-29.8-178.3-58.9175.7000111.9R173 H174R173-L176 WeakPolarHBondContact O-CB 3.45Å; R173-L176 PolarHBondContact O-N 3.4Å; H174-L176 PolarHBondContact O-N 3.46Å; H174-L176 VanDerWaalsContact O-N 3.1Å
177E87.7Confident83.1Confident77 Ų7775.3 Ų75.336%0.3638%0.383SS..Hα-helixtrans-108-3.9-175.7-63.8173.3-173.600113R173 H174 G179 S180R173-E177 IonicContact NH1-OE2 3.8Å; R173-E177 PolarHBondContact NH1-OE2 3.4Å; H174-E177 CarbonylContact O-C 3.56Å; H174-E177 PolarHBondContact O-N 2.61Å; H174-E177 VanDerWaalsContact O-N 3.11Å; E177-G179 PolarHBondContact O-N 3.43Å; E177-S180 VanDerWaalsContact O-CB 3.31Å; E177-S180 WeakPolarHBondContact O-CB 3.36Å; E177-S180 PolarHBondContact O-N 2.97Å
178C91.9Very high82.4Confident17 Ų1775.1 Ų75.112%0.11538%0.384CS..THydrogen-bonded Turntrans-63.6110.5-174.6174.90000110.9K155 H174K155-C178 VanDerWaalsContact CD-SG 3.58Å; H174-C178 WeakPolarHBondContact O-CA 3.46Å; H174-C178 WeakPolarHBondContact O-CB 3.1Å; H174-C178 PolarHBondContact O-N 2.84Å
179G85.1Confident82Confident62 Ų6271.9 Ų71.964%0.63936%0.361SS*.THydrogen-bonded Turntrans104.1-11.4-177.600000113.4E177E177-G179 PolarHBondContact O-N 3.43Å
180S81.5Confident81.7Confident69 Ų6973 Ų7348%0.48337%0.365SS..SBendtrans-81.9162.6168.8-590000110.7E177 C182E177-S180 VanDerWaalsContact O-CB 3.31Å; E177-S180 WeakPolarHBondContact O-CB 3.36Å; E177-S180 PolarHBondContact O-N 2.97Å; S180-C182 PolarHBondContact O-N 2.77Å
181K67.2Low81.6Confident207 Ų20780.9 Ų80.990%0.940%0.401SS*.  trans-64103168.4-73.6-173.8179.4-178.70108.3
182C60.1Low81.7Confident32 Ų3276.7 Ų76.722%0.21639%0.388CS..  trans-71.8129.2177.1-161.80000109.2S180 D184S180-C182 PolarHBondContact O-N 2.77Å; C182-D184 VanDerWaalsContact C-N 3.32Å; C182-D184 PolarHBondContact O-N 2.85Å; C182-D184 PolarHBondContact SG-OD1 2.72Å
183Q63.6Low81.8Confident135 Ų13572.5 Ų72.563%0.63138%0.381SS*.  trans-94.966.7170.6-65.1-173.55.300108.4V185 M186Q183-V185 PolarHBondContact O-N 2.96Å; Q183-M186 HydrophobicContact CB-CG 3.88Å; Q183-M186 WeakPolarHBondContact O-CB 3.27Å; Q183-M186 PolarHBondContact O-N 3.08Å
184D61.4Low82.1Confident52 Ų5270.8 Ų70.828%0.27838%0.375SS..G310 helixtrans-51.1-29.9-175.4-77.4-41.3000112.6C182 M186 L187C182-D184 VanDerWaalsContact C-N 3.32Å; C182-D184 PolarHBondContact O-N 2.85Å; C182-D184 PolarHBondContact SG-OD1 2.72Å; D184-M186 PolarHBondContact O-N 3.32Å; D184-L187 WeakPolarHBondContact O-CB 3.28Å; D184-L187 PolarHBondContact O-N 3.32Å
185V64.7Low82.3Confident34 Ų3471.5 Ų71.521%0.20638%0.379CS..G310 helixtrans-64.8-23.9179.5-154.10000112.8I127 W134 Q183 L187 L188I127-V185 HydrophobicContact CB-CG1 4.19Å; I127-V185 HydrophobicContact CD1-CG1 4.02Å; I127-V185 HydrophobicContact CG1-CG1 3.94Å; I127-V185 HydrophobicContact CG2-CB 3.85Å; I127-V185 HydrophobicContact CG2-CG1 3.25Å; I127-V185 HydrophobicContact CG2-CG2 4.5Å; W134-V185 HydrophobicContact CH2-CG2 3.95Å; W134-V185 HydrophobicContact CZ2-CG2 4.38Å; W134-V185 HydrophobicContact CZ3-CG2 4.11Å; Q183-V185 PolarHBondContact O-N 2.96Å; V185-L187 VanDerWaalsContact C-N 3.26Å; V185-L187 PolarHBondContact O-N 3.38Å; V185-L188 HydrophobicContact CB-CD1 4.46Å; V185-L188 HydrophobicContact CG1-CD1 3.36Å; V185-L188 HydrophobicContact CG1-CG 4.23Å; V185-L188 WeakPolarHBondContact O-CB 3.4Å; V185-L188 VanDerWaalsContact O-CD1 3.26Å; V185-L188 WeakPolarHBondContact O-CD1 3.27Å; V185-L188 VanDerWaalsContact O-CG 3.29Å; V185-L188 WeakPolarHBondContact O-CG 3.35Å; V185-L188 PolarHBondContact O-N 3.26Å
186M66.9Low82.6Confident62 Ų6266.4 Ų66.431%0.30536%0.357SS..G310 helixtrans-70.4-24.3175.2-63.8-65.2140.300112.6Q183 D184 L188Q183-M186 HydrophobicContact CB-CG 3.88Å; Q183-M186 WeakPolarHBondContact O-CB 3.27Å; Q183-M186 PolarHBondContact O-N 3.08Å; D184-M186 PolarHBondContact O-N 3.32Å; M186-L188 PolarHBondContact O-N 3.28Å
187L81.8Confident82.9Confident13 Ų1361.3 Ų61.37%0.06833%0.332CS..G310 helixtrans-79.8-6-178.5-51.5174.7000112.9R30 P143 R173 D184 V185 F189 E190R30-L187 PolarHBondContact NH1-O 3.37Å; R30-L187 VanDerWaalsContact NH1-O 3.15Å; R30-L187 PolarHBondContact NH2-O 3.3Å; P143-L187 HydrophobicContact CB-CD1 3.74Å; R173-L187 VanDerWaalsContact CZ-CD1 3.43Å; D184-L187 WeakPolarHBondContact O-CB 3.28Å; D184-L187 PolarHBondContact O-N 3.32Å; V185-L187 VanDerWaalsContact C-N 3.26Å; V185-L187 PolarHBondContact O-N 3.38Å; L187-F189 PolarHBondContact O-N 2.81Å; L187-F189 VanDerWaalsContact O-N 3.16Å; L187-E190 VanDerWaalsContact CD2-CD 3.5Å; L187-E190 WeakPolarHBondContact CD2-OE2 3.16Å; L187-E190 PolarHBondContact O-N 2.96Å; L187-E190 VanDerWaalsContact O-N 3.1Å
188L81.7Confident83.4Confident45 Ų4559.7 Ų59.724%0.23633%0.325CS..G310 helixtrans-51.2-41.6-175.4-84.3168.2000112.6R30 I127 V185 M186R30-L188 PolarHBondContact NH1-O 3.47Å; I127-L188 HydrophobicContact CD1-CD1 3.89Å; V185-L188 HydrophobicContact CB-CD1 4.46Å; V185-L188 HydrophobicContact CG1-CD1 3.36Å; V185-L188 HydrophobicContact CG1-CG 4.23Å; V185-L188 WeakPolarHBondContact O-CB 3.4Å; V185-L188 VanDerWaalsContact O-CD1 3.26Å; V185-L188 WeakPolarHBondContact O-CD1 3.27Å; V185-L188 VanDerWaalsContact O-CG 3.29Å; V185-L188 WeakPolarHBondContact O-CG 3.35Å; V185-L188 PolarHBondContact O-N 3.26Å; M186-L188 PolarHBondContact O-N 3.28Å
189F87.9Confident83.7Confident30 Ų3060.1 Ų60.113%0.13232%0.324CS..G310 helixtrans-103.55.5-175.2-45.7-60.2000113.1P15 W16 V19 L123 I127 L187P15-F189 HydrophobicContact CB-CB 4.15Å; P15-F189 HydrophobicContact CB-CD1 3.78Å; P15-F189 HydrophobicContact CB-CG 4.32Å; W16-F189 HydrophobicContact CB-CE1 4.09Å; W16-F189 HydrophobicContact CB-CZ 4.11Å; V19-F189 HydrophobicContact CG1-CE1 3.71Å; V19-F189 HydrophobicContact CG1-CZ 4.19Å; L123-F189 HydrophobicContact CD2-CE1 4.16Å; L123-F189 HydrophobicContact CD2-CE2 4.19Å; L123-F189 HydrophobicContact CD2-CZ 3.42Å; L123-F189 VanDerWaalsContact CD2-CZ 3.42Å; L123-F189 HydrophobicContact CG-CZ 4.41Å; I127-F189 HydrophobicContact CD1-CE2 4.45Å; I127-F189 HydrophobicContact CD1-CZ 4.5Å; L187-F189 PolarHBondContact O-N 2.81Å; L187-F189 VanDerWaalsContact O-N 3.16Å
190E89.6Confident84.3Confident90 Ų9062 Ų6242%0.42131%0.312SS..  trans-81124.2178.5-69.7-173.8-172.700110.5R30 L187R30-E190 PolarHBondContact NH1-O 2.64Å; R30-E190 PolarHBondContact NH2-O 3Å; R30-E190 VanDerWaalsContact NH2-O 3.14Å; L187-E190 VanDerWaalsContact CD2-CD 3.5Å; L187-E190 WeakPolarHBondContact CD2-OE2 3.16Å; L187-E190 PolarHBondContact O-N 2.96Å; L187-E190 VanDerWaalsContact O-N 3.1Å
191E92.5Very high85.1Confident171 Ų17158.8 Ų58.880%0.79929%0.289SS*.  trans-68.2152.9169-64.1179.7-169.600111
192N94.3Very high86.4Confident41 Ų4150.6 Ų50.622%0.21926%0.258CS..  trans-154169.2170.364.271.2000109.7I144 F194 L195I144-N192 PolarHBondContact O-ND2 3.47Å; N192-F194 PolarHBondContact O-N 3.09Å; N192-F194 WeakPolarHBondContact OD1-CA 3.49Å; N192-F194 WeakPolarHBondContact OD1-CB 3.46Å; N192-F194 PolarHBondContact OD1-N 3.39Å; N192-L195 WeakPolarHBondContact ND2-CD1 3.41Å; N192-L195 WeakPolarHBondContact ND2-CG 3.39Å; N192-L195 PolarHBondContact O-N 2.91Å; N192-L195 PolarHBondContact OD1-N 3.21Å
193S93.6Very high88.1Confident86 Ų8651.6 Ų51.660%0.60127%0.265SS*.THydrogen-bonded Turntrans-67.3-7.9-174.864.30000115R81R81-S193 PolarHBondContact NH1-O 3.36Å; R81-S193 VanDerWaalsContact NH1-O 3.14Å; R81-S193 PolarHBondContact NH2-O 3.47Å
194F96.5Very high89.5Confident13 Ų1350.7 Ų50.76%0.05726%0.261CS..THydrogen-bonded Turntrans-96-27175.6179.3-93000113.1P53 C55 R81 I144 C145 M165 H166 L169 N192P53-F194 HydrophobicContact CB-CZ 4.25Å; C55-F194 HydrophobicContact CB-CD1 4.38Å; C55-F194 HydrophobicContact CB-CE1 3.72Å; C55-F194 HydrophobicContact CB-CE2 4.39Å; C55-F194 HydrophobicContact CB-CZ 3.74Å; R81-F194 WeakPolarHBondContact CD-O 3.12Å; R81-F194 PolarHBondContact NH1-O 2.9Å; I144-F194 HydrophobicContact CG2-CB 3.67Å; I144-F194 HydrophobicContact CG2-CD1 3.87Å; I144-F194 HydrophobicContact CG2-CG 3.92Å; C145-F194 HydrophobicContact CB-CD1 3.8Å; C145-F194 HydrophobicContact CB-CE1 3.49Å; C145-F194 VanDerWaalsContact CB-CE1 3.49Å; M165-F194 HydrophobicContact CE-CD2 3.94Å; M165-F194 HydrophobicContact CE-CE2 3.65Å; H166-F194 AromaticContact CE1-CD1 3.73Å; H166-F194 AromaticContact CE1-CE1 3.41Å; H166-F194 VanDerWaalsContact CE1-CE1 3.41Å; H166-F194 WeakPolarHBondContact CE1-CE1 3.47Å; H166-F194 AromaticContact CE1-CE2 3.9Å; H166-F194 AromaticContact CE1-CZ 3.49Å; H166-F194 VanDerWaalsContact CE1-CZ 3.49Å; H166-F194 WeakPolarHBondContact CE1-CZ 3.4Å; H166-F194 AromaticContact NE2-CD1 3.65Å; H166-F194 AromaticContact NE2-CD2 3.34Å; H166-F194 VanDerWaalsContact NE2-CD2 3.34Å; H166-F194 WeakPolarHBondContact NE2-CD2 3.4Å; H166-F194 AromaticContact NE2-CE1 3.53Å; H166-F194 AromaticContact NE2-CE2 3.19Å; H166-F194 WeakPolarHBondContact NE2-CE2 3.4Å; H166-F194 AromaticContact NE2-CG 3.56Å; H166-F194 AromaticContact NE2-CZ 3.28Å; H166-F194 VanDerWaalsContact NE2-CZ 3.28Å; H166-F194 WeakPolarHBondContact NE2-CZ 3.41Å; L169-F194 HydrophobicContact CD2-CB 3.61Å; N192-F194 PolarHBondContact O-N 3.09Å; N192-F194 WeakPolarHBondContact OD1-CA 3.49Å; N192-F194 WeakPolarHBondContact OD1-CB 3.46Å; N192-F194 PolarHBondContact OD1-N 3.39Å
195L97.6Very high90.9Very high16 Ų1653 Ų538%0.08428%0.279CS..SBendtrans-73.9148.1175.6-60.8178000110.6R30 R81 I144 N192R30-L195 HydrophobicContact CG-CD1 4.02Å; R30-L195 HydrophobicContact CG-CD2 3.97Å; R81-L195 PolarHBondContact NH1-O 3.38Å; I144-L195 VanDerWaalsContact O-CD2 3.32Å; I144-L195 WeakPolarHBondContact O-CD2 3.26Å; N192-L195 WeakPolarHBondContact ND2-CD1 3.41Å; N192-L195 WeakPolarHBondContact ND2-CG 3.39Å; N192-L195 PolarHBondContact O-N 2.91Å; N192-L195 PolarHBondContact OD1-N 3.21Å
196L97.6Very high92Very high4 Ų452.4 Ų52.42%0.02128%0.278CS..PPolyproline II helixtrans-80151.4164.8-57-179.9000108.4G29 F56 L57 M79 L310 L312G29-L196 PolarHBondContact N-O 3.29Å; F56-L196 WeakPolarHBondContact O-CD1 3.31Å; L57-L196 HydrophobicContact CD1-CD1 3.89Å; M79-L196 HydrophobicContact CG-CD1 4.37Å; M79-L196 HydrophobicContact SD-CD1 3.91Å; L196-L310 HydrophobicContact CD1-CD1 4.39Å; L196-L310 HydrophobicContact CD1-CD2 3.99Å; L196-L312 HydrophobicContact CD2-CD1 3.85Å; L196-L312 HydrophobicContact CD2-CD2 3.77Å; L196-L312 HydrophobicContact CD2-CG 4.05Å
197P97.3Very high92.4Very high31 Ų3155.4 Ų55.420%0.20130%0.295CS..PPolyproline II helixtrans-55141.7174.7-21.632.6000111.1G28 Y199 L310 K311G28-P197 WeakPolarHBondContact CA-O 3.17Å; P197-Y199 HydrophobicContact CB-CD2 4.5Å; P197-Y199 HydrophobicContact CB-CE2 3.7Å; P197-L310 WeakPolarHBondContact CD-O 3.46Å; P197-K311 HydrophobicContact CG-CB 4Å; P197-K311 HydrophobicContact CG-CD 3.84Å; P197-K311 HydrophobicContact CG-CG 3.97Å
198E97.6Very high91.2Very high44 Ų4462.1 Ų62.121%0.20633%0.331CS..PPolyproline II helixtrans-100.2126.3-169.6-167173.3-114.400111.3P15 L18 K26 V27 G29P15-E198 WeakPolarHBondContact CA-OE2 3.38Å; P15-E198 WeakPolarHBondContact CB-OE2 3.05Å; L18-E198 HydrophobicContact CD1-CG 3.69Å; K26-E198 WeakPolarHBondContact CE-OE1 3.35Å; K26-E198 IonicContact NZ-OE1 3.21Å; K26-E198 PolarHBondContact NZ-OE1 3.29Å; V27-E198 CarbonylContact O-C 3.5Å; V27-E198 VanDerWaalsContact O-CA 3.31Å; V27-E198 WeakPolarHBondContact O-CA 3.39Å; G29-E198 WeakPolarHBondContact CA-OE1 3.28Å
199Y98.3Very high89.4Confident25 Ų2567.5 Ų67.510%0.09835%0.352CS..EExtended strand (participates in β ladder)trans-133.9149.6179.9-62-85.1000110.2A10 V11 E12 K26 V27 P197 Y309 K311A10-Y199 HydrophobicContact CB-CG 4.4Å; V11-Y199 WeakPolarHBondContact O-CB 3.29Å; E12-Y199 HydrophobicContact CG-CD1 4.43Å; E12-Y199 HydrophobicContact CG-CE1 4.24Å; K26-Y199 CarbonylContact C-O 3.58Å; K26-Y199 VanDerWaalsContact CA-O 3.24Å; K26-Y199 WeakPolarHBondContact CA-O 3.18Å; K26-Y199 VanDerWaalsContact CB-O 3.26Å; K26-Y199 WeakPolarHBondContact CB-O 3.47Å; V27-Y199 PolarHBondContact N-O 2.91Å; V27-Y199 PolarHBondContact O-N 3.09Å; P197-Y199 HydrophobicContact CB-CD2 4.5Å; P197-Y199 HydrophobicContact CB-CE2 3.7Å; Y199-Y309 HydrophobicContact CD1-CD1 4.36Å; Y199-Y309 HydrophobicContact CD2-CD1 4.3Å; Y199-Y309 HydrophobicContact CE1-CD1 4.17Å; Y199-Y309 HydrophobicContact CE2-CD1 4.06Å; Y199-Y309 HydrophobicContact CE2-CG 4.48Å; Y199-Y309 WeakPolarHBondContact CE2-O 3.49Å; Y199-Y309 HydrophobicContact CG-CD1 4.44Å; Y199-K311 WeakPolarHBondContact OH-CE 3.44Å
200R97.9Very high87Confident101 Ų10170.4 Ų70.438%0.38138%0.376SS..EExtended strand (participates in β ladder)trans-74.1139.8165.1-178.4178.3-179.9142.52.9108.3A10 V11 L18A10-R200 WeakPolarHBondContact CA-O 3.1Å; V11-R200 HydrophobicContact CG2-CB 3.86Å; V11-R200 HydrophobicContact CG2-CG 4.29Å; V11-R200 PolarHBondContact N-O 3.28Å; V11-R200 PolarHBondContact O-N 3.47Å; L18-R200 HydrophobicContact CD2-CB 4.14Å; L18-R200 HydrophobicContact CD2-CG 4.36Å
201L98Very high84.4Confident2 Ų273.2 Ų73.21%0.0140%0.395CS..EExtended strand (participates in β ladder)trans-101.2111.9171.8178.869.4000107.8F9 D25 V27 I60 V267 I268F9-L201 WeakPolarHBondContact O-CA 3.43Å; D25-L201 HydrophobicContact CB-CB 3.96Å; D25-L201 HydrophobicContact CB-CD2 4.46Å; D25-L201 HydrophobicContact CB-CG 4.45Å; D25-L201 WeakPolarHBondContact CB-O 3.41Å; D25-L201 PolarHBondContact O-N 2.91Å; V27-L201 HydrophobicContact CG2-CD1 4.47Å; I60-L201 HydrophobicContact CD1-CD2 4.25Å; I60-L201 HydrophobicContact CG1-CD2 3.88Å; L201-V267 HydrophobicContact CD1-CG2 3.55Å; L201-I268 HydrophobicContact CD1-CG1 4.02Å; L201-I268 HydrophobicContact CD2-CG1 3.99Å
202C96.3Very high82.1Confident36 Ų3670 Ų7024%0.24338%0.383CS..EExtended strand (participates in β ladder)trans-100.6130178.1-71.20000109.4G8 F9 V11G8-C202 CarbonylContact C-O 3.54Å; G8-C202 VanDerWaalsContact CA-O 3.29Å; G8-C202 WeakPolarHBondContact CA-O 3.2Å; F9-C202 PolarHBondContact N-O 3.36Å; F9-C202 PolarHBondContact O-N 3.47Å; V11-C202 HydrophobicContact CG2-CB 4.44Å; V11-C202 WeakPolarHBondContact CG2-SG 3.45Å
203S94.2Very high79.7Confident53 Ų5376.2 Ų76.237%0.37141%0.411SS..EExtended strand (participates in β ladder)trans-105.7136.2179.2-58.60000110.9L7L7-S203 CarbonylContact O-C 3.59Å; L7-S203 VanDerWaalsContact O-CA 3.28Å; L7-S203 WeakPolarHBondContact O-CA 3.36Å
204E92.8Very high76.9Confident115 Ų11576.8 Ų76.854%0.53741%0.414SS..EExtended strand (participates in β ladder)trans-127.6143.3175.8-59.9-179.2-178.700108.8A6 L7 F9 A206A6-E204 CarbonylContact C-O 3.5Å; A6-E204 VanDerWaalsContact CA-O 3.3Å; A6-E204 WeakPolarHBondContact CA-O 3.24Å; L7-E204 PolarHBondContact N-O 3.41Å; L7-E204 PolarHBondContact O-N 2.75Å; F9-E204 HydrophobicContact CE2-CB 4.32Å; F9-E204 HydrophobicContact CE2-CG 4.41Å; E204-A206 PolarHBondContact O-N 3.37Å
205P91.9Very high74.2Confident101 Ų10180.1 Ų80.166%0.65644%0.436SS*.EExtended strand (participates in β ladder)trans-56.3136.3171.7-21.433.1000110D207P205-D207 PolarHBondContact O-N 3.26Å
206A87.4Confident71.6Confident22 Ų2282.8 Ų82.818%0.18246%0.456CS..PPolyproline II helixtrans-64.8128168.800000108.2L5 L7 E204 N208L5-A206 HydrophobicContact CB-CB 4Å; L5-A206 HydrophobicContact CD2-CB 3.6Å; L5-A206 HydrophobicContact CG-CB 3.67Å; L5-A206 WeakPolarHBondContact O-CB 3.33Å; L5-A206 PolarHBondContact O-N 3Å; L7-A206 HydrophobicContact CD1-CB 4.26Å; L7-A206 HydrophobicContact CD2-CB 4.12Å; L7-A206 HydrophobicContact CG-CB 3.9Å; E204-A206 PolarHBondContact O-N 3.37Å; A206-N208 PolarHBondContact O-N 3.06Å
207D76.4Confident68.9Low125 Ų12591.1 Ų91.167%0.66850%0.495SS*.PPolyproline II helixtrans-57.8134.3171.2-72.6-38.8000109.4P205 F209P205-D207 PolarHBondContact O-N 3.26Å; D207-F209 HydrophobicContact CB-CD2 3.27Å; D207-F209 HydrophobicContact CB-CE2 3.38Å; D207-F209 HydrophobicContact CB-CG 4.32Å; D207-F209 HydrophobicContact CB-CZ 4.49Å; D207-F209 PolarHBondContact O-N 3.4Å; D207-F209 WeakPolarHBondContact OD2-CE2 3.26Å
208N54.8Low66.4Low153 Ų15397.6 Ų97.682%0.81852%0.522SS*.  trans-68.844175.7-76.1-24.2000112.4A206 S210A206-N208 PolarHBondContact O-N 3.06Å; N208-S210 PolarHBondContact O-N 2.85Å
209F44.5Very low63.7Low158 Ų158100.2 Ų100.269%0.69354%0.541SS*.  trans-77.9107.4168.1-66.2-64.8000107.5D207D207-F209 HydrophobicContact CB-CD2 3.27Å; D207-F209 HydrophobicContact CB-CE2 3.38Å; D207-F209 HydrophobicContact CB-CG 4.32Å; D207-F209 HydrophobicContact CB-CZ 4.49Å; D207-F209 PolarHBondContact O-N 3.4Å; D207-F209 WeakPolarHBondContact OD2-CE2 3.26Å
210S38.7Very low60.9Low91 Ų91106.5 Ų106.564%0.63657%0.572SS**SBendtrans68.3128.8-177.846.20000117.1N208 D212N208-S210 PolarHBondContact O-N 2.85Å; S210-D212 PolarHBondContact O-N 2.86Å
211N34.5Very low58.1Low150 Ų150106.7 Ų106.780%0.80259%0.588SS**  trans-59.775.3173.4-76.5-25.5000112.1E213 S214N211-E213 PolarHBondContact O-N 2.98Å; N211-E213 VanDerWaalsContact O-N 3.08Å; N211-S214 PolarHBondContact O-OG 2.77Å
212D43.4Very low55.1Low104 Ų104114 Ų11456%0.55663%0.628SS**THydrogen-bonded Turntrans-74.311.5178.7-77.3-12.1000114S210 S214S210-D212 PolarHBondContact O-N 2.86Å; D212-S214 VanDerWaalsContact C-N 3.29Å
213E43.5Very low52.3Low171 Ų171116.4 Ų116.480%0.79964%0.641SS**THydrogen-bonded Turntrans-77.9-11.6170.6-74.6-152.4143.700113.5N211N211-E213 PolarHBondContact O-N 2.98Å; N211-E213 VanDerWaalsContact O-N 3.08Å
214S36.7Very low49.5Very low97 Ų97122.9 Ų122.968%0.67867%0.665SS**SBendtrans-111.650.9-175.567.40000114.7N211 D212N211-S214 PolarHBondContact O-OG 2.77Å; D212-S214 VanDerWaalsContact C-N 3.29Å
215T38.5Very low46.8Very low83 Ų83122.9 Ų122.951%0.50967%0.673SS.*  trans-14420.917247.30000114.8
216S43.6Very low44.2Very low73 Ų73123.9 Ų123.951%0.5168%0.677SS.*  trans-96.83.8169.5570000114.1K275S216-K275 PolarHBondContact OG-NZ 2.88Å
217E40.6Very low42Very low178 Ų178129.7 Ų129.783%0.83271%0.705SS**SBendtrans-91.7116.3166.5-68.7-174.7179.700107.6
218E44.6Very low40.3Very low168 Ų168130.4 Ų130.479%0.78571%0.708SS**  trans33.3100.7158.7-57.9-177.5-177.500115.3E220E218-E220 PolarHBondContact O-N 3.07Å
219V42Very low39.9Very low99 Ų99126.3 Ų126.360%0.670%0.703SS**  trans-61.285.3162.2-111.40000108.2A251V219-A251 HydrophobicContact CG1-CB 4.36Å
220E37.6Very low40.1Very low157 Ų157124.4 Ų124.473%0.73470%0.699SS**  trans-73.5126158-77-165.9147.800107.4E218 D222E218-E220 PolarHBondContact O-N 3.07Å; E220-D222 PolarHBondContact O-N 2.79Å
221S40.4Very low40.7Very low104 Ų104125.2 Ų125.273%0.72770%0.702SS**  trans-73.786.4-173.158.10000110.8T223S221-T223 PolarHBondContact O-N 2.92Å; S221-T223 VanDerWaalsContact O-N 3.16Å
222D35.6Very low41.8Very low157 Ų157124.9 Ų124.984%0.8470%0.7SS**  trans-81.488.5168.1-81.7-17.5000109.5E220 E224E220-D222 PolarHBondContact O-N 2.79Å; D222-E224 PolarHBondContact O-N 2.89Å
223T36.5Very low43.1Very low86 Ų86123.6 Ų123.653%0.52869%0.693SS.*  trans-78102.9174.348.80000110.4S221 T225S221-T223 PolarHBondContact O-N 2.92Å; S221-T223 VanDerWaalsContact O-N 3.16Å; T223-T225 PolarHBondContact O-N 3.14Å
224E35.7Very low44.4Very low189 Ų189120 Ų12088%0.88369%0.685SS**  trans-74.5119.9164.7-74-167.5161.700110.2D222D222-E224 PolarHBondContact O-N 2.89Å
225T35.4Very low45.9Very low114 Ų114122.4 Ų122.470%0.69969%0.685SS**  trans-81.7115.1-177.750.80000111.3T223T223-T225 PolarHBondContact O-N 3.14Å
226V36.9Very low47.3Very low122 Ų122121.1 Ų121.174%0.73968%0.677SS**  trans-95.5109.6162.3-174.80000108L228V226-L228 PolarHBondContact O-N 3.03Å
227D41.8Very low48.3Very low144 Ų144123 Ų12377%0.7768%0.678SS**  trans-74.9113.2178.917914.4000110.2G229D227-G229 PolarHBondContact OD1-N 3.33Å; D227-G229 VanDerWaalsContact OD1-N 3.07Å
228L41.7Very low49.4Very low140 Ų140116.7 Ų116.773%0.73366%0.657SS**  trans-101.117.6179.2-75.9174.7000113.8V226 L230V226-L228 PolarHBondContact O-N 3.03Å; L228-L230 VanDerWaalsContact C-N 3.29Å; L228-L230 PolarHBondContact O-N 2.88Å; L228-L230 VanDerWaalsContact O-N 3.12Å
229G45.1Very low50.1Low68 Ų68114.2 Ų114.270%0.70165%0.648SS**  trans58.733.2160.300000115.7D227D227-G229 PolarHBondContact OD1-N 3.33Å; D227-G229 VanDerWaalsContact OD1-N 3.07Å
230L48.3Very low51Low118 Ų118112.8 Ų112.862%0.61864%0.635SS**  trans-93.6153.1173.2-77.7156.8000110.6L228L228-L230 VanDerWaalsContact C-N 3.29Å; L228-L230 PolarHBondContact O-N 2.88Å; L228-L230 VanDerWaalsContact O-N 3.12Å
231P52Low52Low107 Ų107108.1 Ų108.170%0.69562%0.619SS**  trans-65.4141.2-170.7-16.530.3000112.4D233P231-D233 PolarHBondContact O-N 3.07Å
232N57.4Low53.1Low144 Ų144109 Ų10977%0.7761%0.614SS**  trans-61.369.5-179.6-63.8-2.9000113.6
233D70.4Confident54.3Low77 Ų77105.6 Ų105.641%0.41261%0.609SS.*  trans-89.8120.3166.3-166.8-39000108.5P231 E235 V236 E237P231-D233 PolarHBondContact O-N 3.07Å; D233-E235 PolarHBondContact O-N 3.2Å; D233-E235 PolarHBondContact OD1-N 3.23Å; D233-V236 HydrophobicContact CB-CB 4.09Å; D233-V236 HydrophobicContact CB-CG2 3.79Å; D233-V236 WeakPolarHBondContact O-CA 3.25Å; D233-V236 WeakPolarHBondContact O-CB 3.33Å; D233-V236 PolarHBondContact O-N 2.74Å; D233-E237 PolarHBondContact O-N 3.26Å
234P71.2Confident55.5Low96 Ų96106.2 Ų106.262%0.62360%0.604SS**Hα-helixtrans-61.3-23.5-179.622.7-32000113.5A238P234-A238 VanDerWaalsContact O-CB 3.3Å; P234-A238 WeakPolarHBondContact O-CB 3.42Å; P234-A238 PolarHBondContact O-N 2.92Å
235E68.7Low56.8Low146 Ų146105.1 Ų105.168%0.68260%0.596SS**Hα-helixtrans-70.5-36.8170-80.2-174160.400111.6D233 A238 L239D233-E235 PolarHBondContact O-N 3.2Å; D233-E235 PolarHBondContact OD1-N 3.23Å; E235-A238 PolarHBondContact O-N 3.34Å; E235-L239 WeakPolarHBondContact O-CB 3.43Å; E235-L239 VanDerWaalsContact O-CG 3.24Å; E235-L239 WeakPolarHBondContact O-CG 3.19Å; E235-L239 PolarHBondContact O-N 2.85Å
236V68.6Low58.7Low56 Ų56103.9 Ų103.934%0.33958%0.583SS.*Hα-helixtrans-69.5-43.2175.9178.10000110.5D233 A238 L239 E240D233-V236 HydrophobicContact CB-CB 4.09Å; D233-V236 HydrophobicContact CB-CG2 3.79Å; D233-V236 WeakPolarHBondContact O-CA 3.25Å; D233-V236 WeakPolarHBondContact O-CB 3.33Å; D233-V236 PolarHBondContact O-N 2.74Å; V236-A238 VanDerWaalsContact C-N 3.32Å; V236-A238 PolarHBondContact O-N 3Å; V236-L239 PolarHBondContact O-N 2.9Å; V236-E240 HydrophobicContact CG1-CG 4.36Å; V236-E240 WeakPolarHBondContact O-CB 3.21Å; V236-E240 WeakPolarHBondContact O-CG 3.45Å; V236-E240 PolarHBondContact O-N 3.48Å
237E63.3Low60.7Low113 Ų113101.5 Ų101.553%0.52857%0.569SS.*Hα-helixtrans-62.1-39.3174.4-77-174.3168.500112.2D233 E240 S241D233-E237 PolarHBondContact O-N 3.26Å; E237-E240 PolarHBondContact O-N 3.45Å; E237-S241 WeakPolarHBondContact O-CB 2.86Å; E237-S241 PolarHBondContact O-N 2.98Å
238A64.7Low62.4Low46 Ų46101.1 Ų101.138%0.3856%0.56SS.*Hα-helixtrans-65.5-46.2175.600000111.4P234 E235 V236 E240 S241 I242P234-A238 VanDerWaalsContact O-CB 3.3Å; P234-A238 WeakPolarHBondContact O-CB 3.42Å; P234-A238 PolarHBondContact O-N 2.92Å; E235-A238 PolarHBondContact O-N 3.34Å; V236-A238 VanDerWaalsContact C-N 3.32Å; V236-A238 PolarHBondContact O-N 3Å; A238-E240 VanDerWaalsContact C-N 3.34Å; A238-E240 PolarHBondContact O-N 2.69Å; A238-S241 PolarHBondContact O-N 3.4Å; A238-S241 PolarHBondContact O-OG 2.86Å; A238-I242 WeakPolarHBondContact O-CG1 3.19Å; A238-I242 PolarHBondContact O-N 2.51Å
239L59.7Low64.1Low116 Ų11698.3 Ų98.361%0.60754%0.543SS*.Hα-helixtrans-62.5-39.5175.2-74.1167.3000111.9E235 V236 I242 A243E235-L239 WeakPolarHBondContact O-CB 3.43Å; E235-L239 VanDerWaalsContact O-CG 3.24Å; E235-L239 WeakPolarHBondContact O-CG 3.19Å; E235-L239 PolarHBondContact O-N 2.85Å; V236-L239 PolarHBondContact O-N 2.9Å; L239-I242 PolarHBondContact O-N 2.96Å; L239-A243 WeakPolarHBondContact O-CB 3.32Å; L239-A243 PolarHBondContact O-N 2.9Å
240E59.6Low65.8Low68 Ų68100 Ų10032%0.31853%0.533SS..Hα-helixtrans-65-42.1173.4-80.9-169.6-168.600111.8V236 E237 A238 I242 A243 K244V236-E240 HydrophobicContact CG1-CG 4.36Å; V236-E240 WeakPolarHBondContact O-CB 3.21Å; V236-E240 WeakPolarHBondContact O-CG 3.45Å; V236-E240 PolarHBondContact O-N 3.48Å; E237-E240 PolarHBondContact O-N 3.45Å; A238-E240 VanDerWaalsContact C-N 3.34Å; A238-E240 PolarHBondContact O-N 2.69Å; E240-I242 PolarHBondContact O-N 3.2Å; E240-A243 CarbonylContact O-C 3.58Å; E240-A243 PolarHBondContact O-N 2.93Å; E240-K244 VanDerWaalsContact O-CB 3.25Å; E240-K244 WeakPolarHBondContact O-CB 3.35Å; E240-K244 WeakPolarHBondContact O-CD 3.31Å; E240-K244 WeakPolarHBondContact O-CG 3.37Å; E240-K244 PolarHBondContact O-N 2.76Å; E240-K244 IonicContact OE2-NZ 2.76Å; E240-K244 PolarHBondContact OE2-NZ 3.14Å
241S59.9Low67.5Low59 Ų5994.6 Ų94.641%0.41351%0.505SS..Hα-helixtrans-64.6-31.4178.178.60000112.3E237 A238 K245E237-S241 WeakPolarHBondContact O-CB 2.86Å; E237-S241 PolarHBondContact O-N 2.98Å; A238-S241 PolarHBondContact O-N 3.4Å; A238-S241 PolarHBondContact O-OG 2.86Å; S241-K245 PolarHBondContact O-N 2.84Å
242I61.7Low69Low122 Ų12292.7 Ų92.763%0.62648%0.484SS*.Hα-helixtrans-73.9-44.8173.7-66.6165.7000109.8A238 L239 E240 K244 K245A238-I242 WeakPolarHBondContact O-CG1 3.19Å; A238-I242 PolarHBondContact O-N 2.51Å; L239-I242 PolarHBondContact O-N 2.96Å; E240-I242 PolarHBondContact O-N 3.2Å; I242-K244 VanDerWaalsContact C-N 3.27Å; I242-K244 PolarHBondContact O-N 3Å; I242-K245 PolarHBondContact O-N 3.12Å
243A61.5Low70.3Confident87 Ų8788.4 Ų88.472%0.71946%0.459SS*.Hα-helixtrans-66.3-26.7177.100000113.3L239 E240L239-A243 WeakPolarHBondContact O-CB 3.32Å; L239-A243 PolarHBondContact O-N 2.9Å; E240-A243 CarbonylContact O-C 3.58Å; E240-A243 PolarHBondContact O-N 2.93Å
244K62.7Low71.1Confident99 Ų9989.3 Ų89.343%0.4346%0.456SS..THydrogen-bonded Turntrans-79.8-18.2177.9-75.5168-170.5166.30113.3E240 I242 E246E240-K244 VanDerWaalsContact O-CB 3.25Å; E240-K244 WeakPolarHBondContact O-CB 3.35Å; E240-K244 WeakPolarHBondContact O-CD 3.31Å; E240-K244 WeakPolarHBondContact O-CG 3.37Å; E240-K244 PolarHBondContact O-N 2.76Å; E240-K244 IonicContact OE2-NZ 2.76Å; E240-K244 PolarHBondContact OE2-NZ 3.14Å; I242-K244 VanDerWaalsContact C-N 3.27Å; I242-K244 PolarHBondContact O-N 3Å; K244-E246 PolarHBondContact O-N 2.66Å; K244-E246 VanDerWaalsContact O-N 3.08Å
245K62.9Low71.9Confident165 Ų16587.4 Ų87.472%0.71744%0.44SS*.SBendtrans-83.286.5175.8-76.4-178.8-178.5179.70109.3S241 I242 T247S241-K245 PolarHBondContact O-N 2.84Å; I242-K245 PolarHBondContact O-N 3.12Å; K245-T247 PolarHBondContact O-N 2.77Å
246E74Confident72.9Confident89 Ų8981.1 Ų81.142%0.41641%0.41SS..  trans-51.5127.8167.3-171.5178.6-147.600108.8K244 E250 A251 R254K244-E246 PolarHBondContact O-N 2.66Å; K244-E246 VanDerWaalsContact O-N 3.08Å; E246-E250 HydrophobicContact CG-CB 3.55Å; E246-A251 HydrophobicContact CG-CB 4.26Å; E246-A251 WeakPolarHBondContact OE1-CA 3.34Å; E246-A251 PolarHBondContact OE1-N 3.35Å; E246-R254 IonicContact OE1-NE 3.91Å; E246-R254 PolarHBondContact OE1-NE 3.03Å; E246-R254 IonicContact OE2-NE 3.6Å; E246-R254 IonicContact OE2-NH2 2.86Å
247T78.7Confident73.8Confident72 Ų7284.2 Ų84.244%0.44242%0.419SS..  trans-70.9154.6173.163.10000109.8K245 E249 E250 A251K245-T247 PolarHBondContact O-N 2.77Å; T247-E249 PolarHBondContact O-N 3.22Å; T247-E250 WeakPolarHBondContact CB-OE2 3.44Å; T247-E250 PolarHBondContact N-OE2 3.01Å; T247-E250 PolarHBondContact O-N 3.1Å; T247-E250 VanDerWaalsContact O-N 3.11Å; T247-E250 WeakPolarHBondContact OG1-CB 3.13Å; T247-E250 VanDerWaalsContact OG1-CD 3.22Å; T247-E250 WeakPolarHBondContact OG1-CG 3.43Å; T247-E250 PolarHBondContact OG1-N 3.2Å; T247-E250 PolarHBondContact OG1-OE2 3.44Å; T247-A251 PolarHBondContact O-N 2.66Å
248K77.3Confident75.1Confident135 Ų13583.8 Ų83.859%0.58742%0.417SS*.Hα-helixtrans-58.7-30.9176.9-68.1-174.3177.4-174.90113.1R252 D281K248-R252 WeakPolarHBondContact O-CG 3.35Å; K248-R252 PolarHBondContact O-N 2.92Å; K248-R252 VanDerWaalsContact O-N 3.07Å; K248-D281 VanDerWaalsContact CD-OD2 3.23Å; K248-D281 WeakPolarHBondContact CD-OD2 3.17Å; K248-D281 IonicContact NZ-OD2 3.74Å
249E77.6Confident76.2Confident82 Ų8282 Ų8238%0.38340%0.403SS..Hα-helixtrans-69.8-42.1176.2-66-171.6151.600111.5T247 R252 F253 P358T247-E249 PolarHBondContact O-N 3.22Å; E249-R252 PolarHBondContact O-N 3.21Å; E249-F253 WeakPolarHBondContact O-CB 3.5Å; E249-F253 PolarHBondContact O-N 2.92Å; E249-P358 HydrophobicContact CB-CG 4.43Å
250E81.4Confident77.7Confident103 Ų10377.6 Ų77.648%0.48138%0.379SS..Hα-helixtrans-61.8-43.6173.5-73.4163.8149.900111.7E246 T247 R252 F253 R254E246-E250 HydrophobicContact CG-CB 3.55Å; T247-E250 WeakPolarHBondContact CB-OE2 3.44Å; T247-E250 PolarHBondContact N-OE2 3.01Å; T247-E250 PolarHBondContact O-N 3.1Å; T247-E250 VanDerWaalsContact O-N 3.11Å; T247-E250 WeakPolarHBondContact OG1-CB 3.13Å; T247-E250 VanDerWaalsContact OG1-CD 3.22Å; T247-E250 WeakPolarHBondContact OG1-CG 3.43Å; T247-E250 PolarHBondContact OG1-N 3.2Å; T247-E250 PolarHBondContact OG1-OE2 3.44Å; E250-R252 PolarHBondContact O-N 3.44Å; E250-F253 CarbonylContact O-C 3.51Å; E250-F253 PolarHBondContact O-N 3Å; E250-F253 VanDerWaalsContact O-N 3.17Å; E250-R254 WeakPolarHBondContact O-CB 3.45Å; E250-R254 PolarHBondContact O-N 2.96Å
251A83.6Confident79.2Confident5 Ų582.7 Ų82.74%0.04140%0.4CS..Hα-helixtrans-60.5-44.2176.800000111.9V219 E246 T247 R254 M255V219-A251 HydrophobicContact CG1-CB 4.36Å; E246-A251 HydrophobicContact CG-CB 4.26Å; E246-A251 WeakPolarHBondContact OE1-CA 3.34Å; E246-A251 PolarHBondContact OE1-N 3.35Å; T247-A251 PolarHBondContact O-N 2.66Å; A251-R254 WeakPolarHBondContact O-CB 3.34Å; A251-R254 PolarHBondContact O-N 3.36Å; A251-M255 WeakPolarHBondContact O-CG 3.48Å; A251-M255 PolarHBondContact O-N 3.12Å
252R84.6Confident80.6Confident67 Ų6784.5 Ų84.525%0.25341%0.413SS..Hα-helixtrans-63.2-42.2174.1-79.7-169.9-176.7-158.61.2112.3K248 E249 E250 R254 M255 F256 W278 S280 D281K248-R252 WeakPolarHBondContact O-CG 3.35Å; K248-R252 PolarHBondContact O-N 2.92Å; K248-R252 VanDerWaalsContact O-N 3.07Å; E249-R252 PolarHBondContact O-N 3.21Å; E250-R252 PolarHBondContact O-N 3.44Å; R252-R254 VanDerWaalsContact C-N 3.3Å; R252-R254 PolarHBondContact O-N 3.06Å; R252-M255 PolarHBondContact O-N 3.43Å; R252-F256 PolarHBondContact O-N 2.97Å; R252-W278 WeakPolarHBondContact CB-O 3.34Å; R252-W278 VanDerWaalsContact NH1-CB 3.28Å; R252-S280 PolarHBondContact NH1-O 2.98Å; R252-D281 IonicContact CZ-OD1 3.41Å; R252-D281 IonicContact NE-OD1 3.64Å; R252-D281 IonicContact NH1-OD1 3.68Å; R252-D281 IonicContact NH2-OD1 3.74Å; R252-D281 PolarHBondContact NH2-OD1 3.42Å
253F84.6Confident82.2Confident54 Ų5479.2 Ų79.224%0.23739%0.387CS..Hα-helixtrans-66.3-33.9177.3-172.2-131.8000112.3E249 E250 F256 K257 L279 V357E249-F253 WeakPolarHBondContact O-CB 3.5Å; E249-F253 PolarHBondContact O-N 2.92Å; E250-F253 CarbonylContact O-C 3.51Å; E250-F253 PolarHBondContact O-N 3Å; E250-F253 VanDerWaalsContact O-N 3.17Å; F253-F256 HydrophobicContact CD2-CD1 4.36Å; F253-F256 HydrophobicContact CE2-CD1 4.35Å; F253-F256 WeakPolarHBondContact O-CB 3.34Å; F253-F256 PolarHBondContact O-N 3.22Å; F253-K257 HydrophobicContact CD1-CD 4.48Å; F253-K257 HydrophobicContact CE1-CD 4.35Å; F253-K257 VanDerWaalsContact CZ-CE 3.42Å; F253-K257 WeakPolarHBondContact O-CG 3.42Å; F253-K257 PolarHBondContact O-N 3.28Å; F253-L279 HydrophobicContact CD2-CD2 4.05Å; F253-V357 HydrophobicContact CD2-CG1 4.49Å; F253-V357 HydrophobicContact CE2-CG1 3.77Å; F253-V357 HydrophobicContact CZ-CG1 3.77Å
254R87.3Confident83.7Confident95 Ų9579.1 Ų79.136%0.35838%0.379SS..Hα-helixtrans-64.4-48.2171.2-179.3176.757.877.5-3111.4E246 E250 A251 R252 F256 K257 E258E246-R254 IonicContact OE1-NE 3.91Å; E246-R254 PolarHBondContact OE1-NE 3.03Å; E246-R254 IonicContact OE2-NE 3.6Å; E246-R254 IonicContact OE2-NH2 2.86Å; E250-R254 WeakPolarHBondContact O-CB 3.45Å; E250-R254 PolarHBondContact O-N 2.96Å; A251-R254 WeakPolarHBondContact O-CB 3.34Å; A251-R254 PolarHBondContact O-N 3.36Å; R252-R254 VanDerWaalsContact C-N 3.3Å; R252-R254 PolarHBondContact O-N 3.06Å; R254-F256 VanDerWaalsContact C-N 3.25Å; R254-F256 PolarHBondContact O-N 3.2Å; R254-K257 WeakPolarHBondContact O-CB 3.42Å; R254-K257 PolarHBondContact O-N 3.4Å; R254-K257 VanDerWaalsContact O-N 3.09Å; R254-E258 HydrophobicContact CG-CG 4.49Å; R254-E258 WeakPolarHBondContact CG-OE1 3.3Å; R254-E258 IonicContact CZ-OE1 2.69Å; R254-E258 IonicContact NH1-OE1 3.96Å; R254-E258 PolarHBondContact NH1-OE1 3.17Å; R254-E258 IonicContact NH1-OE2 2.94Å; R254-E258 WeakPolarHBondContact O-CG 3.37Å; R254-E258 PolarHBondContact O-N 2.94Å
255M87Confident85.3Confident57 Ų5778 Ų7828%0.28138%0.378SS..Hα-helixtrans-57.2-40.9174-68.717875.300111.7A251 R252 E258 A259A251-M255 WeakPolarHBondContact O-CG 3.48Å; A251-M255 PolarHBondContact O-N 3.12Å; R252-M255 PolarHBondContact O-N 3.43Å; M255-E258 PolarHBondContact O-N 3.01Å; M255-A259 WeakPolarHBondContact O-CB 3.24Å; M255-A259 PolarHBondContact O-N 2.83Å
256F89.2Confident86.9Confident13 Ų1370.1 Ų70.16%0.05734%0.344CS..Hα-helixtrans-60.5-48.2174.1178.6-96.9000111.9R252 F253 R254 E258 A259 M260 I277 L279 P304R252-F256 PolarHBondContact O-N 2.97Å; F253-F256 HydrophobicContact CD2-CD1 4.36Å; F253-F256 HydrophobicContact CE2-CD1 4.35Å; F253-F256 WeakPolarHBondContact O-CB 3.34Å; F253-F256 PolarHBondContact O-N 3.22Å; R254-F256 VanDerWaalsContact C-N 3.25Å; R254-F256 PolarHBondContact O-N 3.2Å; F256-E258 VanDerWaalsContact C-N 3.34Å; F256-E258 PolarHBondContact O-N 3.08Å; F256-A259 PolarHBondContact O-N 3.33Å; F256-M260 HydrophobicContact CD1-CG 4.25Å; F256-M260 HydrophobicContact CE1-CG 3.74Å; F256-M260 HydrophobicContact CE2-CE 4.14Å; F256-M260 HydrophobicContact CE2-CG 4.14Å; F256-M260 HydrophobicContact CE2-SD 4.1Å; F256-M260 HydrophobicContact CZ-CG 3.66Å; F256-M260 HydrophobicContact CZ-SD 3.92Å; F256-M260 WeakPolarHBondContact O-CG 3.41Å; F256-M260 PolarHBondContact O-N 3.24Å; F256-I277 HydrophobicContact CB-CG2 4.02Å; F256-I277 HydrophobicContact CD2-CG2 4.16Å; F256-L279 HydrophobicContact CB-CD2 3.82Å; F256-L279 HydrophobicContact CD1-CD2 3.89Å; F256-L279 HydrophobicContact CD2-CD2 3.9Å; F256-L279 HydrophobicContact CE1-CD2 4.5Å; F256-L279 HydrophobicContact CG-CD2 3.57Å; F256-P304 HydrophobicContact CE1-CG 4.24Å; F256-P304 HydrophobicContact CZ-CG 4.03Å
257K88.5Confident88Confident121 Ų12165.9 Ų65.953%0.52632%0.324SS..Hα-helixtrans-60.8-41.6176.4-75.1176178.6171.80112.6F253 R254 M260 K261F253-K257 HydrophobicContact CD1-CD 4.48Å; F253-K257 HydrophobicContact CE1-CD 4.35Å; F253-K257 VanDerWaalsContact CZ-CE 3.42Å; F253-K257 WeakPolarHBondContact O-CG 3.42Å; F253-K257 PolarHBondContact O-N 3.28Å; R254-K257 WeakPolarHBondContact O-CB 3.42Å; R254-K257 PolarHBondContact O-N 3.4Å; R254-K257 VanDerWaalsContact O-N 3.09Å; K257-M260 PolarHBondContact O-N 3.26Å; K257-K261 PolarHBondContact O-N 2.71Å; K257-K261 VanDerWaalsContact O-N 3.12Å
258E90.7Very high88.9Confident104 Ų10462.5 Ų62.549%0.48630%0.303SS..Hα-helixtrans-61.2-47.2176.8-74.2168.8-172.600110.7R254 M255 F256 M260 K261R254-E258 HydrophobicContact CG-CG 4.49Å; R254-E258 WeakPolarHBondContact CG-OE1 3.3Å; R254-E258 IonicContact CZ-OE1 2.69Å; R254-E258 IonicContact NH1-OE1 3.96Å; R254-E258 PolarHBondContact NH1-OE1 3.17Å; R254-E258 IonicContact NH1-OE2 2.94Å; R254-E258 WeakPolarHBondContact O-CG 3.37Å; R254-E258 PolarHBondContact O-N 2.94Å; M255-E258 PolarHBondContact O-N 3.01Å; F256-E258 VanDerWaalsContact C-N 3.34Å; F256-E258 PolarHBondContact O-N 3.08Å; E258-M260 PolarHBondContact O-N 3.02Å; E258-K261 WeakPolarHBondContact O-CB 3.33Å; E258-K261 PolarHBondContact O-N 3.44Å
259A88.4Confident89.9Confident10 Ų1057.1 Ų57.18%0.08328%0.279CS..Hα-helixtrans-65.7-23.7177.100000114.2M255 F256 Q266 R269 I277M255-A259 WeakPolarHBondContact O-CB 3.24Å; M255-A259 PolarHBondContact O-N 2.83Å; F256-A259 PolarHBondContact O-N 3.33Å; A259-Q266 PolarHBondContact O-NE2 2.86Å; A259-R269 PolarHBondContact O-NH1 2.97Å; A259-R269 VanDerWaalsContact O-NH1 3.16Å; A259-I277 HydrophobicContact CB-CD1 3.3Å
260M90.9Very high90.7Very high22 Ų2253.7 Ų53.711%0.10826%0.263CS..Hα-helixtrans-85.5-15.1174.7-66.7-46.789.800112.7F256 K257 E258 S262 A263 P264 Q266 T303F256-M260 HydrophobicContact CD1-CG 4.25Å; F256-M260 HydrophobicContact CE1-CG 3.74Å; F256-M260 HydrophobicContact CE2-CE 4.14Å; F256-M260 HydrophobicContact CE2-CG 4.14Å; F256-M260 HydrophobicContact CE2-SD 4.1Å; F256-M260 HydrophobicContact CZ-CG 3.66Å; F256-M260 HydrophobicContact CZ-SD 3.92Å; F256-M260 WeakPolarHBondContact O-CG 3.41Å; F256-M260 PolarHBondContact O-N 3.24Å; K257-M260 PolarHBondContact O-N 3.26Å; E258-M260 PolarHBondContact O-N 3.02Å; M260-S262 PolarHBondContact O-N 3.17Å; M260-A263 CarbonylContact O-C 3.48Å; M260-A263 PolarHBondContact O-N 2.78Å; M260-P264 VanDerWaalsContact O-CA 3.29Å; M260-P264 WeakPolarHBondContact O-CA 3.1Å; M260-P264 VanDerWaalsContact O-N 3.08Å; M260-Q266 VanDerWaalsContact SD-CD 3.53Å; M260-Q266 HydrophobicContact SD-CG 3.79Å; M260-T303 HydrophobicContact SD-CG2 4Å
261K90.4Very high91.4Very high176 Ų17650.7 Ų50.777%0.76525%0.249SC*.THydrogen-bonded Turntrans-62.1-38.2-168-172.6179.1178.1-177.80113.8K257 E258K257-K261 PolarHBondContact O-N 2.71Å; K257-K261 VanDerWaalsContact O-N 3.12Å; E258-K261 WeakPolarHBondContact O-CB 3.33Å; E258-K261 PolarHBondContact O-N 3.44Å
262S89.6Confident92Very high97 Ų9753 Ų5368%0.67826%0.257SS*.THydrogen-bonded Turntrans-73.2-29-179.353.40000113.1M260M260-S262 PolarHBondContact O-N 3.17Å
263A94.3Very high92.4Very high10 Ų1052.4 Ų52.48%0.08327%0.272CS..  trans-14573.6-176.300000110.1L7 F9 M260 D265 Q266L7-A263 HydrophobicContact CD1-CB 3.69Å; F9-A263 HydrophobicContact CE1-CB 4.05Å; F9-A263 HydrophobicContact CZ-CB 3.97Å; M260-A263 CarbonylContact O-C 3.48Å; M260-A263 PolarHBondContact O-N 2.78Å; A263-D265 PolarHBondContact O-N 3.02Å; A263-Q266 HydrophobicContact CB-CB 4.2Å; A263-Q266 VanDerWaalsContact O-CB 3.31Å; A263-Q266 WeakPolarHBondContact O-CB 3.39Å; A263-Q266 WeakPolarHBondContact O-CG 3.26Å; A263-Q266 PolarHBondContact O-N 2.99Å; A263-Q266 VanDerWaalsContact O-N 3.14Å; A263-Q266 PolarHBondContact O-NE2 3.45Å
264P94Very high92.8Very high85 Ų8550.6 Ų50.655%0.55227%0.268SS*.THydrogen-bonded Turntrans-68-20-173.226.7-35.3000113.6M260 Q305M260-P264 VanDerWaalsContact O-CA 3.29Å; M260-P264 WeakPolarHBondContact O-CA 3.1Å; M260-P264 VanDerWaalsContact O-N 3.08Å; P264-Q305 WeakPolarHBondContact O-CG 3.48Å
265D95.3Very high92.9Very high76 Ų7652.9 Ų52.941%0.40628%0.281SS..THydrogen-bonded Turntrans-87.3-2.3176.962.4-29.9000113.6F9 A263 V267F9-D265 WeakPolarHBondContact CE1-OD1 3.33Å; A263-D265 PolarHBondContact O-N 3.02Å; D265-V267 PolarHBondContact O-N 2.87Å
266Q96.8Very high93.2Very high0 Ų051.2 Ų51.20%027%0.274CS..  trans-59.8131.5175.178-170.3-89.100110.4L7 F9 A259 M260 A263 R269 T303 Q305L7-Q266 HydrophobicContact CB-CB 4.43Å; F9-Q266 HydrophobicContact CD1-CB 4.42Å; F9-Q266 HydrophobicContact CE1-CB 3.88Å; F9-Q266 HydrophobicContact CZ-CB 4.26Å; A259-Q266 PolarHBondContact O-NE2 2.86Å; M260-Q266 VanDerWaalsContact SD-CD 3.53Å; M260-Q266 HydrophobicContact SD-CG 3.79Å; A263-Q266 HydrophobicContact CB-CB 4.2Å; A263-Q266 VanDerWaalsContact O-CB 3.31Å; A263-Q266 WeakPolarHBondContact O-CB 3.39Å; A263-Q266 WeakPolarHBondContact O-CG 3.26Å; A263-Q266 PolarHBondContact O-N 2.99Å; A263-Q266 VanDerWaalsContact O-N 3.14Å; A263-Q266 PolarHBondContact O-NE2 3.45Å; Q266-R269 VanDerWaalsContact OE1-CD 3.22Å; Q266-T303 HydrophobicContact CG-CG2 4.16Å; Q266-T303 PolarHBondContact O-OG1 2.79Å; Q266-Q305 WeakPolarHBondContact O-CB 3.27Å
267V98Very high93.4Very high0 Ų052.3 Ų52.30%028%0.28CS..  trans-104-18.5178.2-63.80000112.8G8 A10 L201 D265 T303 Q305 I306 Y309G8-V267 VanDerWaalsContact O-CG2 3.27Å; G8-V267 WeakPolarHBondContact O-CG2 3.24Å; G8-V267 PolarHBondContact O-N 2.79Å; A10-V267 HydrophobicContact CB-CG1 4.35Å; A10-V267 HydrophobicContact CB-CG2 4.16Å; L201-V267 HydrophobicContact CD1-CG2 3.55Å; D265-V267 PolarHBondContact O-N 2.87Å; V267-T303 VanDerWaalsContact CA-OG1 3.23Å; V267-T303 WeakPolarHBondContact CA-OG1 3.23Å; V267-T303 PolarHBondContact O-N 3.3Å; V267-T303 PolarHBondContact O-OG1 3.17Å; V267-Q305 HydrophobicContact CG1-CB 4.43Å; V267-Q305 HydrophobicContact CG1-CG 4.32Å; V267-I306 HydrophobicContact CB-CB 3.96Å; V267-I306 HydrophobicContact CB-CG1 4.12Å; V267-I306 HydrophobicContact CG1-CB 4.05Å; V267-I306 HydrophobicContact CG1-CG1 4.28Å; V267-Y309 HydrophobicContact CG1-CD2 3.89Å; V267-Y309 HydrophobicContact CG1-CE2 3.68Å
268I97.7Very high93.6Very high1 Ų149.3 Ų49.31%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-138.3142.8-178.2-65.2-70.4000110.3L7 G8 L58 I60 L201 F270 F300 Q301 V302L7-I268 CarbonylContact C-O 3.55Å; L7-I268 WeakPolarHBondContact CA-O 3.45Å; G8-I268 PolarHBondContact N-O 2.95Å; G8-I268 PolarHBondContact O-N 2.85Å; L58-I268 HydrophobicContact CD2-CD1 3.77Å; I60-I268 HydrophobicContact CD1-CD1 4.3Å; I60-I268 HydrophobicContact CD1-CG2 4.02Å; L201-I268 HydrophobicContact CD1-CG1 4.02Å; L201-I268 HydrophobicContact CD2-CG1 3.99Å; I268-F270 HydrophobicContact CG2-CB 4.39Å; I268-F300 HydrophobicContact CD1-CD2 3.9Å; I268-F300 HydrophobicContact CD1-CE2 4.08Å; I268-F300 HydrophobicContact CG2-CB 4.31Å; I268-F300 HydrophobicContact CG2-CD2 4.34Å; I268-Q301 CarbonylContact C-O 3.56Å; I268-Q301 WeakPolarHBondContact CA-O 3.33Å; I268-V302 HydrophobicContact CD1-CB 4.09Å; I268-V302 HydrophobicContact CD1-CG1 4.07Å; I268-V302 HydrophobicContact CD1-CG2 3.68Å
269R97.1Very high93.5Very high21 Ų2144.3 Ų44.38%0.07924%0.242CC..EExtended strand (participates in β ladder)trans-121.5102.5165.6-68.8176.875.587.4-8.8108.6L5 L7 A259 Q266 F300 Q301 T303L5-R269 HydrophobicContact CD1-CB 3.98Å; L5-R269 VanDerWaalsContact CD2-NH2 3.32Å; L7-R269 HydrophobicContact CD2-CG 3.97Å; A259-R269 PolarHBondContact O-NH1 2.97Å; A259-R269 VanDerWaalsContact O-NH1 3.16Å; Q266-R269 VanDerWaalsContact OE1-CD 3.22Å; R269-F300 CarbonylContact O-C 3.16Å; R269-F300 WeakPolarHBondContact O-CA 3.43Å; R269-F300 WeakPolarHBondContact O-CB 3.49Å; R269-Q301 HydrophobicContact CB-CB 4.33Å; R269-Q301 PolarHBondContact N-O 3Å; R269-Q301 PolarHBondContact O-N 3.17Å; R269-T303 HydrophobicContact CG-CG2 4.31Å
270F96.3Very high93.3Very high11 Ų1144.6 Ų44.65%0.04824%0.243CC..EExtended strand (participates in β ladder)trans-92.4120-180-178.1-87.8000109.9M1 L5 A6 I60 S62 I268 R272 E299 F300M1-F270 HydrophobicContact CB-CE1 4.32Å; M1-F270 HydrophobicContact SD-CD1 3.99Å; M1-F270 HydrophobicContact SD-CE1 3.74Å; M1-F270 HydrophobicContact SD-CZ 4.24Å; L5-F270 WeakPolarHBondContact CA-O 3.29Å; A6-F270 HydrophobicContact CB-CB 4.4Å; A6-F270 PolarHBondContact N-O 3.26Å; A6-F270 PolarHBondContact O-N 3.45Å; I60-F270 HydrophobicContact CG2-CD2 4.45Å; S62-F270 VanDerWaalsContact OG-CE2 3.24Å; S62-F270 WeakPolarHBondContact OG-CE2 3.23Å; S62-F270 WeakPolarHBondContact OG-CZ 3.24Å; I268-F270 HydrophobicContact CG2-CB 4.39Å; F270-R272 HydrophobicContact CE1-CB 4.43Å; F270-R272 HydrophobicContact CZ-CB 4.11Å; F270-E299 HydrophobicContact CE2-CG 3.82Å; F270-E299 HydrophobicContact CZ-CG 4.38Å; F270-F300 HydrophobicContact CB-CB 4.31Å; F270-F300 HydrophobicContact CD2-CB 3.99Å
271H95.3Very high92.6Very high40 Ų4046.4 Ų46.419%0.18525%0.253CS..  trans-157.580.2178.7-173.2-172.4000109.5T3 L5 G273 G274 F298 E299T3-H271 PolarHBondContact O-CD2 2.84Å; T3-H271 PolarHBondContact O-NE2 3.48Å; T3-H271 VanDerWaalsContact O-NE2 3.07Å; L5-H271 HydrophobicContact CD1-CB 4Å; H271-G273 PolarHBondContact O-N 2.81Å; H271-G274 PolarHBondContact O-N 3.3Å; H271-F298 HydrophobicContact CB-CE1 4.21Å; H271-F298 VanDerWaalsContact O-CD1 3.26Å; H271-F298 WeakPolarHBondContact O-CD1 3.46Å; H271-E299 CarbonylContact C-O 3.52Å; H271-E299 PolarHBondContact N-O 3.15Å
272R95.1Very high91.7Very high53 Ų5343.1 Ų43.120%0.224%0.244CC..THydrogen-bonded Turntrans-65.9123.7-176.9-170.7-177.7-175.6-96-3.3111.9F270 G274 V297 F298 E299 S331F270-R272 HydrophobicContact CE1-CB 4.43Å; F270-R272 HydrophobicContact CZ-CB 4.11Å; R272-G274 PolarHBondContact O-N 3.47Å; R272-V297 HydrophobicContact CG-CG2 4.44Å; R272-F298 CarbonylContact C-O 3.53Å; R272-F298 WeakPolarHBondContact CA-O 3.49Å; R272-E299 HydrophobicContact CB-CG 4.19Å; R272-E299 VanDerWaalsContact CD-OE1 3.28Å; R272-E299 WeakPolarHBondContact CD-OE1 3.36Å; R272-E299 HydrophobicContact CG-CG 4.08Å; R272-E299 PolarHBondContact N-O 2.83Å; R272-E299 IonicContact NE-OE1 3.75Å; R272-E299 PolarHBondContact NE-OE1 3.26Å; R272-S331 PolarHBondContact NH2-O 3.05Å
273G94.2Very high90.6Very high55 Ų5544.6 Ų44.657%0.56725%0.252SS*.THydrogen-bonded Turntrans81.5-4.8-174.500000114H271 F298H271-G273 PolarHBondContact O-N 2.81Å; G273-F298 PolarHBondContact N-O 2.99Å
274G93Very high89.9Confident15 Ų1546.7 Ų46.716%0.15526%0.263CS..SBendtrans-76.6-175.2176.600000113.6H271 R272 F298H271-G274 PolarHBondContact O-N 3.3Å; R272-G274 PolarHBondContact O-N 3.47Å; G274-F298 WeakPolarHBondContact O-CD1 3.26Å
275K90.2Very high89.6Confident144 Ų14451.4 Ų51.463%0.62628%0.278SS*.  trans-97.1126.8177.9-66.9176.9-179172.40110.6S216S216-K275 PolarHBondContact OG-NZ 2.88Å
276P92.7Very high89.5Confident22 Ų2249.2 Ų49.214%0.14327%0.267CS..  trans-69.6152.5172.528.3-34.3000111.6W278 F298 Y326 F328P276-W278 HydrophobicContact CB-CZ2 4.45Å; P276-W278 HydrophobicContact CG-CD2 4.19Å; P276-W278 VanDerWaalsContact CG-CE2 3.47Å; P276-W278 HydrophobicContact CG-CH2 4.38Å; P276-W278 HydrophobicContact CG-CZ2 3.59Å; P276-W278 PolarHBondContact O-N 3.21Å; P276-F298 HydrophobicContact CB-CD2 3.79Å; P276-F298 HydrophobicContact CB-CE1 4.48Å; P276-F298 HydrophobicContact CB-CE2 3.73Å; P276-F298 HydrophobicContact CB-CG 4.19Å; P276-F298 HydrophobicContact CB-CZ 4.09Å; P276-F298 HydrophobicContact CG-CD2 4.27Å; P276-F298 HydrophobicContact CG-CG 4.38Å; P276-Y326 HydrophobicContact CB-CD1 3.63Å; P276-Y326 HydrophobicContact CB-CE1 4.01Å; P276-F328 HydrophobicContact CG-CZ 4.26Å
277I92.6Very high89.5Confident35 Ų3556 Ų5618%0.17930%0.299CS..  trans-94.193.3171.4-54.7176.3000108.3F256 A259 Q301 Y326F256-I277 HydrophobicContact CB-CG2 4.02Å; F256-I277 HydrophobicContact CD2-CG2 4.16Å; A259-I277 HydrophobicContact CB-CD1 3.3Å; I277-Q301 PolarHBondContact O-NE2 3.28Å; I277-Y326 VanDerWaalsContact O-CE1 3.23Å; I277-Y326 WeakPolarHBondContact O-CE1 3.31Å; I277-Y326 PolarHBondContact O-OH 3.42Å
278W92.2Very high89.5Confident58 Ų5861.4 Ų61.422%0.2232%0.322CS..  trans-67.3144-179.5-63.5113.2000112.2R252 P276 V284 Y326 F328 I353R252-W278 WeakPolarHBondContact CB-O 3.34Å; R252-W278 VanDerWaalsContact NH1-CB 3.28Å; P276-W278 HydrophobicContact CB-CZ2 4.45Å; P276-W278 HydrophobicContact CG-CD2 4.19Å; P276-W278 VanDerWaalsContact CG-CE2 3.47Å; P276-W278 HydrophobicContact CG-CH2 4.38Å; P276-W278 HydrophobicContact CG-CZ2 3.59Å; P276-W278 PolarHBondContact O-N 3.21Å; W278-V284 HydrophobicContact CH2-CB 4.29Å; W278-V284 HydrophobicContact CH2-CG2 4.32Å; W278-V284 HydrophobicContact CZ3-CG2 4.21Å; W278-Y326 WeakPolarHBondContact CA-OH 3.41Å; W278-Y326 HydrophobicContact CE3-CD1 4.23Å; W278-Y326 AromaticContact CE3-CD2 3.89Å; W278-Y326 HydrophobicContact CE3-CD2 3.89Å; W278-Y326 HydrophobicContact CE3-CE1 4.06Å; W278-Y326 AromaticContact CE3-CE2 3.73Å; W278-Y326 HydrophobicContact CE3-CE2 3.73Å; W278-Y326 HydrophobicContact CE3-CG 4.13Å; W278-Y326 AromaticContact CE3-CZ 3.8Å; W278-Y326 HydrophobicContact CH2-CG 4.36Å; W278-Y326 HydrophobicContact CZ3-CD1 4.18Å; W278-Y326 AromaticContact CZ3-CD2 3.54Å; W278-Y326 HydrophobicContact CZ3-CD2 3.54Å; W278-Y326 HydrophobicContact CZ3-CE1 4.45Å; W278-Y326 AromaticContact CZ3-CE2 3.87Å; W278-Y326 HydrophobicContact CZ3-CE2 3.87Å; W278-Y326 AromaticContact CZ3-CG 3.71Å; W278-Y326 HydrophobicContact CZ3-CG 3.71Å; W278-F328 AromaticContact CH2-CE2 3.82Å; W278-F328 HydrophobicContact CH2-CE2 3.82Å; W278-F328 AromaticContact CH2-CZ 3.64Å; W278-F328 HydrophobicContact CH2-CZ 3.64Å; W278-F328 HydrophobicContact CZ2-CE2 4.42Å; W278-F328 AromaticContact CZ2-CZ 3.79Å; W278-F328 HydrophobicContact CZ2-CZ 3.79Å; W278-I353 HydrophobicContact CH2-CD1 4.18Å; W278-I353 HydrophobicContact CZ3-CG2 4.01Å
279L89.7Confident89.5Confident0 Ų061.4 Ų61.40%032%0.322CS..SBendtrans-91.9-27.1173.5-69.3176.9000113.2F253 F256 Y326 Q355F253-L279 HydrophobicContact CD2-CD2 4.05Å; F256-L279 HydrophobicContact CB-CD2 3.82Å; F256-L279 HydrophobicContact CD1-CD2 3.89Å; F256-L279 HydrophobicContact CD2-CD2 3.9Å; F256-L279 HydrophobicContact CE1-CD2 4.5Å; F256-L279 HydrophobicContact CG-CD2 3.57Å; L279-Y326 PolarHBondContact N-OH 2.87Å; L279-Y326 VanDerWaalsContact N-OH 3.17Å; L279-Q355 HydrophobicContact CB-CB 4.23Å; L279-Q355 HydrophobicContact CD1-CB 4.49Å
280S84.6Confident89.4Confident16 Ų1666 Ų6611%0.11235%0.345CS..SBendtrans-129159.2179.572.90000111.5R252 N282 Q355R252-S280 PolarHBondContact NH1-O 2.98Å; S280-N282 VanDerWaalsContact C-N 3.32Å; S280-Q355 VanDerWaalsContact N-OE1 3.09Å; S280-Q355 VanDerWaalsContact OG-CD 3.29Å; S280-Q355 PolarHBondContact OG-NE2 3.07Å
281D75.4Confident89.4Confident59 Ų5968.5 Ų68.532%0.31636%0.361SS..  trans-85.62-178.1-158.927000114.3K248 R252 P283K248-D281 VanDerWaalsContact CD-OD2 3.23Å; K248-D281 WeakPolarHBondContact CD-OD2 3.17Å; K248-D281 IonicContact NZ-OD2 3.74Å; R252-D281 IonicContact CZ-OD1 3.41Å; R252-D281 IonicContact NE-OD1 3.64Å; R252-D281 IonicContact NH1-OD1 3.68Å; R252-D281 IonicContact NH2-OD1 3.74Å; R252-D281 PolarHBondContact NH2-OD1 3.42Å; D281-P283 VanDerWaalsContact O-CD 3.29Å; D281-P283 WeakPolarHBondContact O-CD 3.19Å; D281-P283 VanDerWaalsContact O-N 3.1Å
282N71.1Confident89.5Confident107 Ų10769 Ų6957%0.57237%0.368SS*.  trans-61.2118.8179.5-70-48.7000109.6S280 V284S280-N282 VanDerWaalsContact C-N 3.32Å; N282-V284 VanDerWaalsContact O-CG2 3.28Å; N282-V284 WeakPolarHBondContact O-CG2 3.44Å; N282-V284 PolarHBondContact O-N 2.62Å; N282-V284 VanDerWaalsContact O-N 3.07Å
283P66.4Low89.6Confident129 Ų12970.7 Ų70.784%0.83839%0.388SS*.  trans-62.1118.1176.124.7-31.6000107.7D281D281-P283 VanDerWaalsContact O-CD 3.29Å; D281-P283 WeakPolarHBondContact O-CD 3.19Å; D281-P283 VanDerWaalsContact O-N 3.1Å
284V80.2Confident89.8Confident54 Ų5468.7 Ų68.733%0.32737%0.366SS..  trans-102.4102.7177.4-162.10000108.2W278 N282 V286 I353W278-V284 HydrophobicContact CH2-CB 4.29Å; W278-V284 HydrophobicContact CH2-CG2 4.32Å; W278-V284 HydrophobicContact CZ3-CG2 4.21Å; N282-V284 VanDerWaalsContact O-CG2 3.28Å; N282-V284 WeakPolarHBondContact O-CG2 3.44Å; N282-V284 PolarHBondContact O-N 2.62Å; N282-V284 VanDerWaalsContact O-N 3.07Å; V284-V286 PolarHBondContact O-N 3.39Å; V284-I353 HydrophobicContact CB-CD1 3.99Å; V284-I353 HydrophobicContact CG1-CB 4.49Å; V284-I353 HydrophobicContact CG1-CD1 3.27Å; V284-I353 HydrophobicContact CG1-CG1 3.71Å; V284-I353 HydrophobicContact CG1-CG2 3.98Å; V284-I353 HydrophobicContact CG2-CG2 4.18Å
285E87.4Confident90Very high184 Ų18472.5 Ų72.586%0.8638%0.38SS*.  trans-70.9122.6171.4-169.4173.3-176.700109
286V94.1Very high90.3Very high29 Ų2966.6 Ų66.618%0.17635%0.354CS..  trans-96.8113.7178-173.10000108.1V284 R296 F328 I351 I353V284-V286 PolarHBondContact O-N 3.39Å; V286-R296 HydrophobicContact CG1-CB 3.7Å; V286-R296 HydrophobicContact CG1-CG 4.37Å; V286-F328 HydrophobicContact CG1-CB 3.82Å; V286-F328 HydrophobicContact CG1-CD1 4.21Å; V286-F328 HydrophobicContact CG1-CG 4.01Å; V286-F328 HydrophobicContact CG2-CD1 3.9Å; V286-F328 HydrophobicContact CG2-CD2 4.26Å; V286-F328 HydrophobicContact CG2-CE1 3.96Å; V286-F328 HydrophobicContact CG2-CE2 4.3Å; V286-F328 HydrophobicContact CG2-CG 4.06Å; V286-F328 HydrophobicContact CG2-CZ 4.17Å; V286-I351 HydrophobicContact CG1-CB 4.31Å; V286-I351 HydrophobicContact CG1-CG1 4.38Å; V286-I351 HydrophobicContact CG1-CG2 4.21Å; V286-I353 HydrophobicContact CG2-CD1 3.84Å
287E95.7Very high90.5Very high144 Ų14467.4 Ų67.467%0.67336%0.358SS*.PPolyproline II helixtrans-57146.3177.7-64.3-178.3172.700111.6R296E287-R296 WeakPolarHBondContact O-CD 3.17Å; E287-R296 WeakPolarHBondContact O-CG 3.24Å; E287-R296 PolarHBondContact O-NH1 2.8Å
288K98.1Very high90.8Very high112 Ų11266.2 Ų66.249%0.48735%0.352SS..PPolyproline II helixtrans-67.6156.7175.1-67.8178.1-171.3-140.80111.7E290 E295 R296K288-E290 PolarHBondContact O-N 3.43Å; K288-E290 VanDerWaalsContact O-N 3.1Å; K288-E295 WeakPolarHBondContact CE-OE1 3.37Å; K288-E295 WeakPolarHBondContact CG-OE2 3.27Å; K288-E295 IonicContact NZ-OE1 3.28Å; K288-E295 PolarHBondContact NZ-OE1 2.84Å; K288-R296 PolarHBondContact O-NH1 2.79Å
289C97.9Very high91Very high1 Ų163.5 Ų63.51%0.00734%0.341CS..PPolyproline II helixtrans-57.5118.9172.71790000109.8V291 C292 S293 A294 C330C289-V291 PolarHBondContact O-N 2.82Å; C289-C292 VanDerWaalsContact SG-SG 3.68Å; C289-S293 WeakPolarHBondContact O-CA 3.18Å; C289-S293 PolarHBondContact O-N 3.24Å; C289-A294 WeakPolarHBondContact CB-O 3.28Å; C289-A294 PolarHBondContact N-O 2.67Å; C289-C330 HydrophobicContact CB-CB 4.02Å
290E95.7Very high91.4Very high119 Ų11963.5 Ų63.556%0.55634%0.341SS*.THydrogen-bonded Turntrans-69.5-4.3-175.771.7-77-175.700113.8K288 R296 Q348K288-E290 PolarHBondContact O-N 3.43Å; K288-E290 VanDerWaalsContact O-N 3.1Å; E290-R296 IonicContact OE2-CZ 2.61Å; E290-R296 IonicContact OE2-NH1 2.76Å; E290-R296 IonicContact OE2-NH2 3.64Å; E290-R296 PolarHBondContact OE2-NH2 3.24Å; E290-Q348 PolarHBondContact OE1-NE2 3.3Å
291V96.3Very high92Very high63 Ų6362.8 Ų62.838%0.38234%0.337SS..THydrogen-bonded Turntrans-105.5-48.8-175.8175.90000111.8C289C289-V291 PolarHBondContact O-N 2.82Å
292C96.6Very high93.1Very high49 Ų4960 Ų6033%0.33132%0.322SS..THydrogen-bonded Turntrans-113.72-176.972.10000113.3C289 A294 C330 C334C289-C292 VanDerWaalsContact SG-SG 3.68Å; C292-A294 PolarHBondContact O-N 2.81Å; C292-A294 VanDerWaalsContact SG-CB 3.5Å; C292-C330 PolarHBondContact SG-SG 3.37Å; C292-C334 HydrophobicContact CB-CB 3.92Å
293S97.6Very high94.3Very high89 Ų8955 Ų5562%0.62230%0.295SS*.  trans60.28.9-179.5-52.90000115.5C289C289-S293 WeakPolarHBondContact O-CA 3.18Å; C289-S293 PolarHBondContact O-N 3.24Å
294A97.9Very high95.7Very high13 Ų1350.6 Ų50.611%0.10727%0.266CS..PPolyproline II helixtrans-71.1150.4176.200000111.2C289 C292 S331 N332C289-A294 WeakPolarHBondContact CB-O 3.28Å; C289-A294 PolarHBondContact N-O 2.67Å; C292-A294 PolarHBondContact O-N 2.81Å; C292-A294 VanDerWaalsContact SG-CB 3.5Å; A294-S331 WeakPolarHBondContact CB-OG 3.38Å; A294-N332 HydrophobicContact CB-CB 3.92Å; A294-N332 WeakPolarHBondContact CB-ND2 3.4Å
295E97.7Very high96.4Very high96 Ų9651 Ų5145%0.44927%0.265SS..PPolyproline II helixtrans-59151.4171.8-58.7-56.7156.700110.7K288 S331K288-E295 WeakPolarHBondContact CE-OE1 3.37Å; K288-E295 WeakPolarHBondContact CG-OE2 3.27Å; K288-E295 IonicContact NZ-OE1 3.28Å; K288-E295 PolarHBondContact NZ-OE1 2.84Å; E295-S331 WeakPolarHBondContact O-CB 3.34Å; E295-S331 PolarHBondContact O-N 2.9Å; E295-S331 PolarHBondContact O-OG 3.36Å
296R97.4Very high96.9Very high19 Ų1942.3 Ų42.37%0.07222%0.224CC..EExtended strand (participates in β ladder)trans-91.1142.6167.6-68.6-169.516692.9-1.8109.9V286 E287 K288 E290 F328 T329 E350 I351V286-R296 HydrophobicContact CG1-CB 3.7Å; V286-R296 HydrophobicContact CG1-CG 4.37Å; E287-R296 WeakPolarHBondContact O-CD 3.17Å; E287-R296 WeakPolarHBondContact O-CG 3.24Å; E287-R296 PolarHBondContact O-NH1 2.8Å; K288-R296 PolarHBondContact O-NH1 2.79Å; E290-R296 IonicContact OE2-CZ 2.61Å; E290-R296 IonicContact OE2-NH1 2.76Å; E290-R296 IonicContact OE2-NH2 3.64Å; E290-R296 PolarHBondContact OE2-NH2 3.24Å; R296-F328 HydrophobicContact CB-CB 4.13Å; R296-T329 CarbonylContact C-O 3.58Å; R296-T329 WeakPolarHBondContact CA-O 3.15Å; R296-E350 IonicContact CZ-OE2 2.78Å; R296-E350 IonicContact NE-OE2 3.74Å; R296-E350 PolarHBondContact NE-OE2 2.91Å; R296-E350 VanDerWaalsContact NE-OE2 3.16Å; R296-E350 IonicContact NH2-OE2 2.92Å; R296-I351 VanDerWaalsContact CD-CG1 3.49Å
297V96.8Very high97Very high39 Ų3942.2 Ų42.224%0.23622%0.222CC..EExtended strand (participates in β ladder)trans-113147.2176.9-68.70000109.3R272 F328 T329R272-V297 HydrophobicContact CG-CG2 4.44Å; V297-F328 CarbonylContact O-C 3.51Å; V297-F328 VanDerWaalsContact O-CA 3.24Å; V297-F328 WeakPolarHBondContact O-CA 3.45Å; V297-T329 PolarHBondContact N-O 3.49Å; V297-T329 PolarHBondContact O-N 3.07Å
298F97.1Very high96.9Very high11 Ų1139.2 Ų39.25%0.04822%0.217CC..EExtended strand (participates in β ladder)trans-57.1139.4169.3173.9-111.5000109.6H271 R272 G273 G274 P276 F300 Q301 Y326 F328H271-F298 HydrophobicContact CB-CE1 4.21Å; H271-F298 VanDerWaalsContact O-CD1 3.26Å; H271-F298 WeakPolarHBondContact O-CD1 3.46Å; R272-F298 CarbonylContact C-O 3.53Å; R272-F298 WeakPolarHBondContact CA-O 3.49Å; G273-F298 PolarHBondContact N-O 2.99Å; G274-F298 WeakPolarHBondContact O-CD1 3.26Å; P276-F298 HydrophobicContact CB-CD2 3.79Å; P276-F298 HydrophobicContact CB-CE1 4.48Å; P276-F298 HydrophobicContact CB-CE2 3.73Å; P276-F298 HydrophobicContact CB-CG 4.19Å; P276-F298 HydrophobicContact CB-CZ 4.09Å; P276-F298 HydrophobicContact CG-CD2 4.27Å; P276-F298 HydrophobicContact CG-CG 4.38Å; F298-F300 VanDerWaalsContact CE2-O 3.27Å; F298-F300 WeakPolarHBondContact CE2-O 3.47Å; F298-Q301 HydrophobicContact CE2-CB 4.03Å; F298-Q301 HydrophobicContact CZ-CB 3.82Å; F298-Y326 HydrophobicContact CE2-CD1 4.38Å; F298-F328 HydrophobicContact CB-CD1 4.09Å; F298-F328 HydrophobicContact CB-CE1 3.76Å; F298-F328 HydrophobicContact CB-CZ 4.32Å; F298-F328 HydrophobicContact CD2-CZ 4.28Å
299E97.4Very high96.9Very high0 Ų036.1 Ų36.10%020%0.202CC..EExtended strand (participates in β ladder)trans-121-50.6179.1-165.9146-150.700112.6S62 R73 L75 F270 H271 R272 V327 T329S62-E299 PolarHBondContact OG-OE1 2.78Å; R73-E299 IonicContact CZ-OE1 2.97Å; R73-E299 IonicContact CZ-OE2 3.76Å; R73-E299 IonicContact NH1-OE1 3.49Å; R73-E299 PolarHBondContact NH1-OE1 3.47Å; R73-E299 IonicContact NH1-OE2 3.19Å; R73-E299 VanDerWaalsContact NH2-CD 3.31Å; R73-E299 IonicContact NH2-OE1 2.8Å; R73-E299 PolarHBondContact NH2-OE1 2.88Å; R73-E299 IonicContact NH2-OE2 2.67Å; R73-E299 PolarHBondContact NH2-OE2 3.11Å; L75-E299 VanDerWaalsContact CD1-CD 3.42Å; L75-E299 HydrophobicContact CD1-CG 3.85Å; L75-E299 VanDerWaalsContact CD1-OE2 3.26Å; L75-E299 WeakPolarHBondContact CD1-OE2 3.28Å; F270-E299 HydrophobicContact CE2-CG 3.82Å; F270-E299 HydrophobicContact CZ-CG 4.38Å; H271-E299 CarbonylContact C-O 3.52Å; H271-E299 PolarHBondContact N-O 3.15Å; R272-E299 HydrophobicContact CB-CG 4.19Å; R272-E299 VanDerWaalsContact CD-OE1 3.28Å; R272-E299 WeakPolarHBondContact CD-OE1 3.36Å; R272-E299 HydrophobicContact CG-CG 4.08Å; R272-E299 PolarHBondContact N-O 2.83Å; R272-E299 IonicContact NE-OE1 3.75Å; R272-E299 PolarHBondContact NE-OE1 3.26Å; E299-V327 PolarHBondContact N-O 3.41Å; E299-T329 HydrophobicContact CB-CG2 4.3Å; E299-T329 WeakPolarHBondContact OE2-CB 3.3Å; E299-T329 WeakPolarHBondContact OE2-CG2 3.37Å; E299-T329 PolarHBondContact OE2-OG1 2.89Å
300F98Very high96.8Very high0 Ų036.1 Ų36.10%020%0.202CC..EExtended strand (participates in β ladder)trans-157157.5173.765.3-88.1000112.2L58 I60 L75 I268 R269 F270 F298 V302 V327L58-F300 HydrophobicContact CD1-CE2 4.13Å; L58-F300 HydrophobicContact CD1-CZ 4.15Å; I60-F300 HydrophobicContact CD1-CD1 3.96Å; I60-F300 HydrophobicContact CD1-CD2 3.84Å; I60-F300 HydrophobicContact CD1-CE1 3.94Å; I60-F300 HydrophobicContact CD1-CE2 3.81Å; I60-F300 HydrophobicContact CD1-CG 3.91Å; I60-F300 HydrophobicContact CD1-CZ 3.85Å; L75-F300 HydrophobicContact CB-CE1 4.19Å; L75-F300 HydrophobicContact CD1-CD1 4.03Å; L75-F300 HydrophobicContact CD1-CE1 3.57Å; I268-F300 HydrophobicContact CD1-CD2 3.9Å; I268-F300 HydrophobicContact CD1-CE2 4.08Å; I268-F300 HydrophobicContact CG2-CB 4.31Å; I268-F300 HydrophobicContact CG2-CD2 4.34Å; R269-F300 CarbonylContact O-C 3.16Å; R269-F300 WeakPolarHBondContact O-CA 3.43Å; R269-F300 WeakPolarHBondContact O-CB 3.49Å; F270-F300 HydrophobicContact CB-CB 4.31Å; F270-F300 HydrophobicContact CD2-CB 3.99Å; F298-F300 VanDerWaalsContact CE2-O 3.27Å; F298-F300 WeakPolarHBondContact CE2-O 3.47Å; F300-V302 HydrophobicContact CD2-CG2 4.1Å; F300-V302 HydrophobicContact CE2-CG2 3.73Å; F300-V327 HydrophobicContact CD1-CB 3.99Å; F300-V327 HydrophobicContact CD1-CG1 4.16Å; F300-V327 HydrophobicContact CD2-CB 4.38Å; F300-V327 HydrophobicContact CD2-CG2 4.25Å; F300-V327 HydrophobicContact CE1-CB 3.71Å; F300-V327 HydrophobicContact CE1-CG1 3.62Å; F300-V327 HydrophobicContact CE1-CG2 3.95Å; F300-V327 HydrophobicContact CE2-CB 4.13Å; F300-V327 HydrophobicContact CE2-CG2 3.64Å; F300-V327 HydrophobicContact CG-CB 4.32Å; F300-V327 HydrophobicContact CZ-CB 3.81Å; F300-V327 HydrophobicContact CZ-CG1 4Å; F300-V327 HydrophobicContact CZ-CG2 3.48Å; F300-V327 VanDerWaalsContact CZ-CG2 3.48Å; F300-V327 PolarHBondContact O-N 2.77Å
301Q97.7Very high96.6Very high2 Ų237.4 Ų37.41%0.00921%0.206CC..EExtended strand (participates in β ladder)trans-108.9133.2172.3175.7176.3-2.300109.4I268 R269 I277 F298 S324 L325 Y326I268-Q301 CarbonylContact C-O 3.56Å; I268-Q301 WeakPolarHBondContact CA-O 3.33Å; R269-Q301 HydrophobicContact CB-CB 4.33Å; R269-Q301 PolarHBondContact N-O 3Å; R269-Q301 PolarHBondContact O-N 3.17Å; I277-Q301 PolarHBondContact O-NE2 3.28Å; F298-Q301 HydrophobicContact CE2-CB 4.03Å; F298-Q301 HydrophobicContact CZ-CB 3.82Å; Q301-S324 PolarHBondContact NE2-OG 3.16Å; Q301-L325 CarbonylContact C-O 3.59Å; Q301-L325 VanDerWaalsContact CA-O 3.24Å; Q301-L325 WeakPolarHBondContact CA-O 3.29Å; Q301-Y326 HydrophobicContact CB-CD1 4.26Å; Q301-Y326 VanDerWaalsContact CD-CE1 3.45Å; Q301-Y326 HydrophobicContact CG-CD1 4Å; Q301-Y326 HydrophobicContact CG-CE1 3.88Å
302V98.2Very high96.3Very high0 Ų035.3 Ų35.30%019%0.192CC..EExtended strand (participates in β ladder)trans-92.2123.6166.8-168.40000107.8L58 L77 I268 F300 I306 F322 S324 L325L58-V302 HydrophobicContact CD2-CG1 4.25Å; L58-V302 HydrophobicContact CD2-CG2 4.06Å; L77-V302 HydrophobicContact CD2-CG2 3.82Å; I268-V302 HydrophobicContact CD1-CB 4.09Å; I268-V302 HydrophobicContact CD1-CG1 4.07Å; I268-V302 HydrophobicContact CD1-CG2 3.68Å; F300-V302 HydrophobicContact CD2-CG2 4.1Å; F300-V302 HydrophobicContact CE2-CG2 3.73Å; V302-I306 HydrophobicContact CG1-CB 4.17Å; V302-I306 HydrophobicContact CG1-CD1 3.84Å; V302-I306 HydrophobicContact CG1-CG2 3.69Å; V302-F322 HydrophobicContact CG1-CE2 4.25Å; V302-F322 HydrophobicContact CG1-CZ 4.36Å; V302-S324 WeakPolarHBondContact O-CA 3.33Å; V302-L325 HydrophobicContact CB-CB 3.88Å; V302-L325 HydrophobicContact CB-CD1 4.2Å; V302-L325 HydrophobicContact CB-CG 4.22Å; V302-L325 HydrophobicContact CG2-CB 3.97Å; V302-L325 HydrophobicContact CG2-CD1 4.22Å; V302-L325 PolarHBondContact N-O 2.75Å; V302-L325 PolarHBondContact O-N 2.85Å
303T96.6Very high95.8Very high1 Ų138.1 Ų38.11%0.00620%0.204CC..  trans-86.1159.5-178.576.30000109.8M260 Q266 V267 R269 Q305 I306M260-T303 HydrophobicContact SD-CG2 4Å; Q266-T303 HydrophobicContact CG-CG2 4.16Å; Q266-T303 PolarHBondContact O-OG1 2.79Å; V267-T303 VanDerWaalsContact CA-OG1 3.23Å; V267-T303 WeakPolarHBondContact CA-OG1 3.23Å; V267-T303 PolarHBondContact O-N 3.3Å; V267-T303 PolarHBondContact O-OG1 3.17Å; R269-T303 HydrophobicContact CG-CG2 4.31Å; T303-Q305 PolarHBondContact O-N 3.43Å; T303-I306 WeakPolarHBondContact O-CG2 3.45Å; T303-I306 PolarHBondContact O-N 2.88Å
304P94.6Very high95.2Very high37 Ų3739.2 Ų39.224%0.2420%0.198CC..G310 helixtrans-67.9-19.5-178.326.8-27.5000111.8F256 I306 L307 G323F256-P304 HydrophobicContact CE1-CG 4.24Å; F256-P304 HydrophobicContact CZ-CG 4.03Å; P304-I306 PolarHBondContact O-N 3.35Å; P304-I306 VanDerWaalsContact O-N 3.08Å; P304-L307 VanDerWaalsContact O-CB 3.24Å; P304-L307 WeakPolarHBondContact O-CB 3.29Å; P304-L307 VanDerWaalsContact O-CG 3.3Å; P304-L307 WeakPolarHBondContact O-CG 3.26Å; P304-L307 PolarHBondContact O-N 2.94Å; P304-G323 WeakPolarHBondContact CB-O 3.46Å; P304-G323 WeakPolarHBondContact CD-O 3.37Å; P304-G323 VanDerWaalsContact CG-O 3.26Å; P304-G323 WeakPolarHBondContact CG-O 3.23Å
305Q95.7Very high94.6Very high64 Ų6445.9 Ų45.930%0.29924%0.237SC..G310 helixtrans-56.6-26.4177.3-172.958.52600113.1P264 Q266 V267 T303 L307 C308 Y309P264-Q305 WeakPolarHBondContact O-CG 3.48Å; Q266-Q305 WeakPolarHBondContact O-CB 3.27Å; V267-Q305 HydrophobicContact CG1-CB 4.43Å; V267-Q305 HydrophobicContact CG1-CG 4.32Å; T303-Q305 PolarHBondContact O-N 3.43Å; Q305-L307 PolarHBondContact O-N 3.41Å; Q305-C308 WeakPolarHBondContact O-CB 3.44Å; Q305-C308 PolarHBondContact O-N 3.46Å; Q305-Y309 WeakPolarHBondContact O-CD2 3.48Å
306I97.5Very high93.9Very high0 Ų045.5 Ų45.50%026%0.258CS..G310 helixtrans-60-29176.2-158.2172000112.4V27 L57 L58 V267 V302 T303 P304 C308 Y309 L310 F322V27-I306 HydrophobicContact CG1-CD1 4.05Å; V27-I306 HydrophobicContact CG1-CG1 4.23Å; V27-I306 HydrophobicContact CG2-CD1 4.07Å; L57-I306 HydrophobicContact CD1-CD1 4.24Å; L58-I306 HydrophobicContact CD2-CD1 3.66Å; V267-I306 HydrophobicContact CB-CB 3.96Å; V267-I306 HydrophobicContact CB-CG1 4.12Å; V267-I306 HydrophobicContact CG1-CB 4.05Å; V267-I306 HydrophobicContact CG1-CG1 4.28Å; V302-I306 HydrophobicContact CG1-CB 4.17Å; V302-I306 HydrophobicContact CG1-CD1 3.84Å; V302-I306 HydrophobicContact CG1-CG2 3.69Å; T303-I306 WeakPolarHBondContact O-CG2 3.45Å; T303-I306 PolarHBondContact O-N 2.88Å; P304-I306 PolarHBondContact O-N 3.35Å; P304-I306 VanDerWaalsContact O-N 3.08Å; I306-C308 PolarHBondContact O-N 2.96Å; I306-Y309 WeakPolarHBondContact O-CB 3.49Å; I306-Y309 PolarHBondContact O-N 3.09Å; I306-L310 HydrophobicContact CG1-CD2 4.28Å; I306-L310 WeakPolarHBondContact O-CG 3.38Å; I306-L310 PolarHBondContact O-N 2.9Å; I306-F322 HydrophobicContact CG2-CE2 4.04Å; I306-F322 HydrophobicContact CG2-CZ 3.51Å
307L95.8Very high93.4Very high27 Ų2750 Ų5014%0.14128%0.28CS..Hα-helixtrans-57.6-36-179-65.9172.4000111.6P304 Q305 Y309 L310 D321 F322P304-L307 VanDerWaalsContact O-CB 3.24Å; P304-L307 WeakPolarHBondContact O-CB 3.29Å; P304-L307 VanDerWaalsContact O-CG 3.3Å; P304-L307 WeakPolarHBondContact O-CG 3.26Å; P304-L307 PolarHBondContact O-N 2.94Å; Q305-L307 PolarHBondContact O-N 3.41Å; L307-Y309 PolarHBondContact O-N 3.07Å; L307-L310 HydrophobicContact CD2-CD1 4.11Å; L307-L310 PolarHBondContact O-N 3.31Å; L307-D321 WeakPolarHBondContact CD1-OD1 3.39Å; L307-F322 HydrophobicContact CD2-CD1 3.94Å; L307-F322 HydrophobicContact CD2-CE1 3.47Å; L307-F322 VanDerWaalsContact CD2-CE1 3.47Å; L307-F322 HydrophobicContact CD2-CZ 3.94Å; L307-F322 HydrophobicContact CG-CE1 4.21Å; L307-F322 HydrophobicContact CG-CZ 4.25Å
308C94.9Very high92.9Very high82 Ų8251.9 Ų51.955%0.55429%0.288SS*.Hα-helixtrans-60.4-25.8176.2-59.50000113.2Q305 I306Q305-C308 WeakPolarHBondContact O-CB 3.44Å; Q305-C308 PolarHBondContact O-N 3.46Å; I306-C308 PolarHBondContact O-N 2.96Å
309Y96.4Very high92.6Very high46 Ų4652.9 Ų52.918%0.1829%0.294CS..Hα-helixtrans-89-21178.5-64.2-93.3000112.6A10 Y199 V267 Q305 I306 L307 K311A10-Y309 HydrophobicContact CB-CD1 3.64Å; A10-Y309 HydrophobicContact CB-CD2 4.2Å; A10-Y309 HydrophobicContact CB-CE1 3.67Å; A10-Y309 HydrophobicContact CB-CE2 4.23Å; A10-Y309 HydrophobicContact CB-CG 3.91Å; A10-Y309 WeakPolarHBondContact O-CE1 3.2Å; Y199-Y309 HydrophobicContact CD1-CD1 4.36Å; Y199-Y309 HydrophobicContact CD2-CD1 4.3Å; Y199-Y309 HydrophobicContact CE1-CD1 4.17Å; Y199-Y309 HydrophobicContact CE2-CD1 4.06Å; Y199-Y309 HydrophobicContact CE2-CG 4.48Å; Y199-Y309 WeakPolarHBondContact CE2-O 3.49Å; Y199-Y309 HydrophobicContact CG-CD1 4.44Å; V267-Y309 HydrophobicContact CG1-CD2 3.89Å; V267-Y309 HydrophobicContact CG1-CE2 3.68Å; Q305-Y309 WeakPolarHBondContact O-CD2 3.48Å; I306-Y309 WeakPolarHBondContact O-CB 3.49Å; I306-Y309 PolarHBondContact O-N 3.09Å; L307-Y309 PolarHBondContact O-N 3.07Å; Y309-K311 VanDerWaalsContact C-N 3.3Å; Y309-K311 PolarHBondContact O-N 3.33Å
310L95.8Very high92.4Very high1 Ų153.2 Ų53.21%0.00530%0.296CS..Hα-helixtrans-76.1-19.4-174.7-52.8-170.2000113V27 L57 M79 L196 P197 I306 L307 L312V27-L310 HydrophobicContact CG1-CD2 4.02Å; L57-L310 HydrophobicContact CD1-CD1 3.79Å; L57-L310 HydrophobicContact CD1-CD2 3.68Å; L57-L310 HydrophobicContact CD1-CG 4.39Å; M79-L310 HydrophobicContact CE-CD1 4.4Å; M79-L310 HydrophobicContact SD-CD1 3.8Å; L196-L310 HydrophobicContact CD1-CD1 4.39Å; L196-L310 HydrophobicContact CD1-CD2 3.99Å; P197-L310 WeakPolarHBondContact CD-O 3.46Å; I306-L310 HydrophobicContact CG1-CD2 4.28Å; I306-L310 WeakPolarHBondContact O-CG 3.38Å; I306-L310 PolarHBondContact O-N 2.9Å; L307-L310 HydrophobicContact CD2-CD1 4.11Å; L307-L310 PolarHBondContact O-N 3.31Å; L310-L312 HydrophobicContact CB-CD1 3.87Å; L310-L312 HydrophobicContact CB-CG 3.9Å; L310-L312 HydrophobicContact CD1-CD1 4.09Å; L310-L312 PolarHBondContact O-N 3.39Å
311K92Very high92.2Very high147 Ų14755.9 Ų55.964%0.63931%0.311SS*.  trans50.343.7-179-57.6-177.8-1761750112.3P197 Y199 Y309P197-K311 HydrophobicContact CG-CB 4Å; P197-K311 HydrophobicContact CG-CD 3.84Å; P197-K311 HydrophobicContact CG-CG 3.97Å; Y199-K311 WeakPolarHBondContact OH-CE 3.44Å; Y309-K311 VanDerWaalsContact C-N 3.3Å; Y309-K311 PolarHBondContact O-N 3.33Å
312L91.5Very high92Very high18 Ų1855.8 Ų55.89%0.09431%0.31CS..  trans-96-8.5179-65.5173.9000112.9M79 L196 L310 K314 N319 P320M79-L312 HydrophobicContact CE-CD1 3.98Å; M79-L312 HydrophobicContact SD-CD1 4.43Å; L196-L312 HydrophobicContact CD2-CD1 3.85Å; L196-L312 HydrophobicContact CD2-CD2 3.77Å; L196-L312 HydrophobicContact CD2-CG 4.05Å; L310-L312 HydrophobicContact CB-CD1 3.87Å; L310-L312 HydrophobicContact CB-CG 3.9Å; L310-L312 HydrophobicContact CD1-CD1 4.09Å; L310-L312 PolarHBondContact O-N 3.39Å; L312-K314 PolarHBondContact O-N 2.94Å; L312-N319 PolarHBondContact O-OD1 3.46Å; L312-P320 HydrophobicContact CB-CG 4.21Å; L312-P320 HydrophobicContact CD1-CB 3.98Å; L312-P320 HydrophobicContact CD1-CG 3.89Å
313D84.9Confident91.7Very high109 Ų10955.8 Ų55.858%0.58331%0.31SS*.  trans-66127.6-178.7-60-52.3000112
314K85.7Confident91.6Very high112 Ų11255.7 Ų55.749%0.48731%0.31SS..  trans-123.5131170.7-66176.9-178.7176.10109.1L312 G316 E317 N319L312-K314 PolarHBondContact O-N 2.94Å; K314-G316 PolarHBondContact O-N 3.02Å; K314-E317 HydrophobicContact CB-CB 3.95Å; K314-E317 HydrophobicContact CB-CG 4.38Å; K314-E317 HydrophobicContact CD-CB 4.48Å; K314-E317 WeakPolarHBondContact CD-OE2 3.38Å; K314-E317 IonicContact NZ-OE2 3.62Å; K314-E317 PolarHBondContact NZ-OE2 3.31Å; K314-E317 PolarHBondContact O-N 3.27Å; K314-N319 PolarHBondContact N-OD1 3.14Å; K314-N319 PolarHBondContact O-ND2 3.3Å
315V84.3Confident91.7Very high153 Ų15354 Ų5493%0.92730%0.298SS*.THydrogen-bonded Turntrans-64.5124.1-178.2-178.60000109.8E317V315-E317 VanDerWaalsContact C-N 3.26Å; V315-E317 PolarHBondContact O-N 3.26Å
316G83Confident91.8Very high87 Ų8750.9 Ų50.990%0.89728%0.284SS*.THydrogen-bonded Turntrans77.25.1176.800000115.2K314K314-G316 PolarHBondContact O-N 3.02Å
317E87Confident91.8Very high113 Ų11350.9 Ų50.953%0.52828%0.284SS..SBendtrans-111.6159.2173.6-70.1178-140.300110.5K314 V315K314-E317 HydrophobicContact CB-CB 3.95Å; K314-E317 HydrophobicContact CB-CG 4.38Å; K314-E317 HydrophobicContact CD-CB 4.48Å; K314-E317 WeakPolarHBondContact CD-OE2 3.38Å; K314-E317 IonicContact NZ-OE2 3.62Å; K314-E317 PolarHBondContact NZ-OE2 3.31Å; K314-E317 PolarHBondContact O-N 3.27Å; V315-E317 VanDerWaalsContact C-N 3.26Å; V315-E317 PolarHBondContact O-N 3.26Å
318L87.1Confident91.9Very high80 Ų8050.3 Ų50.342%0.41928%0.28SS..  trans-67.2135.9168-167.267.1000109S83 E84 Y87S83-L318 VanDerWaalsContact CB-C 3.44Å; S83-L318 WeakPolarHBondContact CB-O 3.49Å; S83-L318 PolarHBondContact OG-O 3.45Å; E84-L318 HydrophobicContact CG-CD2 4.23Å; Y87-L318 HydrophobicContact CD1-CD1 4.39Å; Y87-L318 HydrophobicContact CD2-CD1 3.79Å; Y87-L318 HydrophobicContact CD2-CD2 3.48Å; Y87-L318 VanDerWaalsContact CD2-CD2 3.48Å; Y87-L318 HydrophobicContact CD2-CG 3.72Å; Y87-L318 HydrophobicContact CE1-CD1 3.96Å; Y87-L318 HydrophobicContact CE2-CD1 3.3Å; Y87-L318 HydrophobicContact CE2-CD2 3.68Å; Y87-L318 HydrophobicContact CE2-CG 3.32Å; Y87-L318 HydrophobicContact CG-CD1 4.31Å; Y87-L318 HydrophobicContact CG-CD2 4.26Å
319N91.2Very high92.1Very high31 Ų3146.4 Ų46.417%0.16625%0.254CS..  trans-116.1152.9-177.6-61.8-42.1000111.3Y87 L312 K314 D321Y87-N319 VanDerWaalsContact CE2-O 3.27Å; Y87-N319 WeakPolarHBondContact CE2-O 3.44Å; Y87-N319 PolarHBondContact OH-O 2.77Å; Y87-N319 VanDerWaalsContact OH-O 3.06Å; L312-N319 PolarHBondContact O-OD1 3.46Å; K314-N319 PolarHBondContact N-OD1 3.14Å; K314-N319 PolarHBondContact O-ND2 3.3Å; N319-D321 PolarHBondContact O-N 3.25Å
320P93.1Very high92.1Very high7 Ų744.2 Ų44.25%0.04525%0.246CC..  trans-57.9129.2169.4-27.741000110.8M79 S83 L312M79-P320 HydrophobicContact CE-CB 3.75Å; S83-P320 WeakPolarHBondContact OG-CD 3.34Å; L312-P320 HydrophobicContact CB-CG 4.21Å; L312-P320 HydrophobicContact CD1-CB 3.98Å; L312-P320 HydrophobicContact CD1-CG 3.89Å
321D92.4Very high92.2Very high56 Ų5645.9 Ų45.930%0.29926%0.257SS..  trans-149.2151.3-167.9-169.519.4000112.2Y87 L307 N319 M356Y87-D321 WeakPolarHBondContact OH-CB 3.47Å; L307-D321 WeakPolarHBondContact CD1-OD1 3.39Å; N319-D321 PolarHBondContact O-N 3.25Å; D321-M356 HydrophobicContact CB-CE 4.21Å
322F93.8Very high92.4Very high0 Ų042.8 Ų42.80%025%0.248CC..  trans-168.1149.7171.755.9-91000110.1F94 V302 I306 L307 L325 R354F94-F322 HydrophobicContact CE1-CD1 4.21Å; F94-F322 HydrophobicContact CE1-CE1 4.05Å; F94-F322 HydrophobicContact CE2-CD1 4.37Å; F94-F322 AromaticContact CZ-CD1 3.53Å; F94-F322 HydrophobicContact CZ-CD1 3.53Å; F94-F322 AromaticContact CZ-CE1 3.83Å; F94-F322 HydrophobicContact CZ-CE1 3.83Å; F94-F322 HydrophobicContact CZ-CG 4.35Å; V302-F322 HydrophobicContact CG1-CE2 4.25Å; V302-F322 HydrophobicContact CG1-CZ 4.36Å; I306-F322 HydrophobicContact CG2-CE2 4.04Å; I306-F322 HydrophobicContact CG2-CZ 3.51Å; L307-F322 HydrophobicContact CD2-CD1 3.94Å; L307-F322 HydrophobicContact CD2-CE1 3.47Å; L307-F322 VanDerWaalsContact CD2-CE1 3.47Å; L307-F322 HydrophobicContact CD2-CZ 3.94Å; L307-F322 HydrophobicContact CG-CE1 4.21Å; L307-F322 HydrophobicContact CG-CZ 4.25Å; F322-L325 HydrophobicContact CB-CD2 4.14Å; F322-L325 HydrophobicContact CD1-CD2 4.3Å; F322-L325 HydrophobicContact CD1-CG 4.5Å; F322-L325 HydrophobicContact CD2-CD1 4.37Å; F322-L325 HydrophobicContact CD2-CD2 3.92Å; F322-L325 HydrophobicContact CD2-CG 3.7Å; F322-L325 HydrophobicContact CE1-CD1 4.18Å; F322-L325 HydrophobicContact CE1-CG 4.49Å; F322-L325 HydrophobicContact CE2-CD1 4.02Å; F322-L325 HydrophobicContact CE2-CD2 4.39Å; F322-L325 HydrophobicContact CE2-CG 3.72Å; F322-L325 HydrophobicContact CG-CD2 3.86Å; F322-L325 HydrophobicContact CG-CG 4.1Å; F322-L325 HydrophobicContact CZ-CD1 3.89Å; F322-L325 HydrophobicContact CZ-CG 4.11Å; F322-R354 HydrophobicContact CB-CG 3.8Å
323G92.4Very high92.7Very high0 Ų042 Ų420%024%0.244CC..SBendtrans-79.6-42.2172.300000112.4P304 Q355P304-G323 WeakPolarHBondContact CB-O 3.46Å; P304-G323 WeakPolarHBondContact CD-O 3.37Å; P304-G323 VanDerWaalsContact CG-O 3.26Å; P304-G323 WeakPolarHBondContact CG-O 3.23Å; G323-Q355 WeakPolarHBondContact CA-O 3.5Å; G323-Q355 PolarHBondContact N-O 3.47Å
324S94.7Very high93.2Very high0 Ų037.5 Ų37.50%022%0.22CC..EExtended strand (participates in β ladder)trans-160.2150.5173.8-81.50000111.6Q301 V302 Y326 Q355Q301-S324 PolarHBondContact NE2-OG 3.16Å; V302-S324 WeakPolarHBondContact O-CA 3.33Å; S324-Y326 WeakPolarHBondContact CB-OH 3.28Å; S324-Q355 PolarHBondContact N-O 3.12Å; S324-Q355 PolarHBondContact O-N 2.76Å
325L96.8Very high93.7Very high0 Ų038.7 Ų38.70%023%0.228CC..EExtended strand (participates in β ladder)trans-112.1134168.6-48.2174.8000109.3L57 L77 F94 Q301 V302 F322 V352 I353 R354L57-L325 HydrophobicContact CD2-CD1 4.08Å; L77-L325 HydrophobicContact CD2-CD1 3.99Å; F94-L325 HydrophobicContact CD1-CD1 3.66Å; F94-L325 HydrophobicContact CD1-CD2 4.35Å; F94-L325 HydrophobicContact CD2-CD2 4.01Å; F94-L325 HydrophobicContact CE1-CD1 3.54Å; F94-L325 HydrophobicContact CE1-CD2 4.2Å; F94-L325 HydrophobicContact CE2-CD2 3.86Å; F94-L325 HydrophobicContact CG-CD1 4.29Å; F94-L325 HydrophobicContact CG-CD2 4.27Å; F94-L325 HydrophobicContact CZ-CD1 4.1Å; F94-L325 HydrophobicContact CZ-CD2 3.96Å; Q301-L325 CarbonylContact C-O 3.59Å; Q301-L325 VanDerWaalsContact CA-O 3.24Å; Q301-L325 WeakPolarHBondContact CA-O 3.29Å; V302-L325 HydrophobicContact CB-CB 3.88Å; V302-L325 HydrophobicContact CB-CD1 4.2Å; V302-L325 HydrophobicContact CB-CG 4.22Å; V302-L325 HydrophobicContact CG2-CB 3.97Å; V302-L325 HydrophobicContact CG2-CD1 4.22Å; V302-L325 PolarHBondContact N-O 2.75Å; V302-L325 PolarHBondContact O-N 2.85Å; F322-L325 HydrophobicContact CB-CD2 4.14Å; F322-L325 HydrophobicContact CD1-CD2 4.3Å; F322-L325 HydrophobicContact CD1-CG 4.5Å; F322-L325 HydrophobicContact CD2-CD1 4.37Å; F322-L325 HydrophobicContact CD2-CD2 3.92Å; F322-L325 HydrophobicContact CD2-CG 3.7Å; F322-L325 HydrophobicContact CE1-CD1 4.18Å; F322-L325 HydrophobicContact CE1-CG 4.49Å; F322-L325 HydrophobicContact CE2-CD1 4.02Å; F322-L325 HydrophobicContact CE2-CD2 4.39Å; F322-L325 HydrophobicContact CE2-CG 3.72Å; F322-L325 HydrophobicContact CG-CD2 3.86Å; F322-L325 HydrophobicContact CG-CG 4.1Å; F322-L325 HydrophobicContact CZ-CD1 3.89Å; F322-L325 HydrophobicContact CZ-CG 4.11Å; L325-V352 HydrophobicContact CB-CG2 4.06Å; L325-I353 CarbonylContact C-O 3.51Å; L325-I353 WeakPolarHBondContact CA-O 3.11Å; L325-R354 HydrophobicContact CD2-CB 3.76Å; L325-R354 HydrophobicContact CD2-CG 3.74Å
326Y96.9Very high94.3Very high0 Ų031.7 Ų31.70%019%0.185CC..EExtended strand (participates in β ladder)trans-117.1116-180-51.4-87.4000108.7P276 I277 W278 L279 F298 Q301 S324 V352 I353 Q355P276-Y326 HydrophobicContact CB-CD1 3.63Å; P276-Y326 HydrophobicContact CB-CE1 4.01Å; I277-Y326 VanDerWaalsContact O-CE1 3.23Å; I277-Y326 WeakPolarHBondContact O-CE1 3.31Å; I277-Y326 PolarHBondContact O-OH 3.42Å; W278-Y326 WeakPolarHBondContact CA-OH 3.41Å; W278-Y326 HydrophobicContact CE3-CD1 4.23Å; W278-Y326 AromaticContact CE3-CD2 3.89Å; W278-Y326 HydrophobicContact CE3-CD2 3.89Å; W278-Y326 HydrophobicContact CE3-CE1 4.06Å; W278-Y326 AromaticContact CE3-CE2 3.73Å; W278-Y326 HydrophobicContact CE3-CE2 3.73Å; W278-Y326 HydrophobicContact CE3-CG 4.13Å; W278-Y326 AromaticContact CE3-CZ 3.8Å; W278-Y326 HydrophobicContact CH2-CG 4.36Å; W278-Y326 HydrophobicContact CZ3-CD1 4.18Å; W278-Y326 AromaticContact CZ3-CD2 3.54Å; W278-Y326 HydrophobicContact CZ3-CD2 3.54Å; W278-Y326 HydrophobicContact CZ3-CE1 4.45Å; W278-Y326 AromaticContact CZ3-CE2 3.87Å; W278-Y326 HydrophobicContact CZ3-CE2 3.87Å; W278-Y326 AromaticContact CZ3-CG 3.71Å; W278-Y326 HydrophobicContact CZ3-CG 3.71Å; L279-Y326 PolarHBondContact N-OH 2.87Å; L279-Y326 VanDerWaalsContact N-OH 3.17Å; F298-Y326 HydrophobicContact CE2-CD1 4.38Å; Q301-Y326 HydrophobicContact CB-CD1 4.26Å; Q301-Y326 VanDerWaalsContact CD-CE1 3.45Å; Q301-Y326 HydrophobicContact CG-CD1 4Å; Q301-Y326 HydrophobicContact CG-CE1 3.88Å; S324-Y326 WeakPolarHBondContact CB-OH 3.28Å; Y326-V352 WeakPolarHBondContact O-CA 3.14Å; Y326-I353 HydrophobicContact CD2-CB 4.42Å; Y326-I353 HydrophobicContact CD2-CG2 4.21Å; Y326-I353 PolarHBondContact N-O 3.08Å; Y326-I353 PolarHBondContact O-N 3.32Å; Y326-Q355 HydrophobicContact CE2-CB 4.03Å; Y326-Q355 HydrophobicContact CE2-CG 3.85Å; Y326-Q355 PolarHBondContact OH-OE1 3.42Å
327V98.2Very high94.9Very high0 Ų030.7 Ų30.70%016%0.163CC..EExtended strand (participates in β ladder)trans-96.9125.6-179.1175.20000109.5L77 V96 E299 F300 T329 V352L77-V327 HydrophobicContact CD1-CG2 4.14Å; V96-V327 HydrophobicContact CB-CG1 4.5Å; V96-V327 HydrophobicContact CG1-CG1 4.4Å; V96-V327 HydrophobicContact CG2-CG1 3.88Å; E299-V327 PolarHBondContact N-O 3.41Å; F300-V327 HydrophobicContact CD1-CB 3.99Å; F300-V327 HydrophobicContact CD1-CG1 4.16Å; F300-V327 HydrophobicContact CD2-CB 4.38Å; F300-V327 HydrophobicContact CD2-CG2 4.25Å; F300-V327 HydrophobicContact CE1-CB 3.71Å; F300-V327 HydrophobicContact CE1-CG1 3.62Å; F300-V327 HydrophobicContact CE1-CG2 3.95Å; F300-V327 HydrophobicContact CE2-CB 4.13Å; F300-V327 HydrophobicContact CE2-CG2 3.64Å; F300-V327 HydrophobicContact CG-CB 4.32Å; F300-V327 HydrophobicContact CZ-CB 3.81Å; F300-V327 HydrophobicContact CZ-CG1 4Å; F300-V327 HydrophobicContact CZ-CG2 3.48Å; F300-V327 VanDerWaalsContact CZ-CG2 3.48Å; F300-V327 PolarHBondContact O-N 2.77Å; V327-T329 HydrophobicContact CG1-CG2 4Å; V327-V352 HydrophobicContact CG2-CG2 4.33Å
328F98.1Very high95.3Very high15 Ų1527.5 Ų27.57%0.06615%0.146CC..EExtended strand (participates in β ladder)trans-119.8131.9176.6-67.9-99.5000109.6P276 W278 V286 R296 V297 F298 I351 I353P276-F328 HydrophobicContact CG-CZ 4.26Å; W278-F328 AromaticContact CH2-CE2 3.82Å; W278-F328 HydrophobicContact CH2-CE2 3.82Å; W278-F328 AromaticContact CH2-CZ 3.64Å; W278-F328 HydrophobicContact CH2-CZ 3.64Å; W278-F328 HydrophobicContact CZ2-CE2 4.42Å; W278-F328 AromaticContact CZ2-CZ 3.79Å; W278-F328 HydrophobicContact CZ2-CZ 3.79Å; V286-F328 HydrophobicContact CG1-CB 3.82Å; V286-F328 HydrophobicContact CG1-CD1 4.21Å; V286-F328 HydrophobicContact CG1-CG 4.01Å; V286-F328 HydrophobicContact CG2-CD1 3.9Å; V286-F328 HydrophobicContact CG2-CD2 4.26Å; V286-F328 HydrophobicContact CG2-CE1 3.96Å; V286-F328 HydrophobicContact CG2-CE2 4.3Å; V286-F328 HydrophobicContact CG2-CG 4.06Å; V286-F328 HydrophobicContact CG2-CZ 4.17Å; R296-F328 HydrophobicContact CB-CB 4.13Å; V297-F328 CarbonylContact O-C 3.51Å; V297-F328 VanDerWaalsContact O-CA 3.24Å; V297-F328 WeakPolarHBondContact O-CA 3.45Å; F298-F328 HydrophobicContact CB-CD1 4.09Å; F298-F328 HydrophobicContact CB-CE1 3.76Å; F298-F328 HydrophobicContact CB-CZ 4.32Å; F298-F328 HydrophobicContact CD2-CZ 4.28Å; F328-I351 HydrophobicContact CB-CB 4.26Å; F328-I351 PolarHBondContact N-O 2.97Å; F328-I351 PolarHBondContact O-N 3.16Å; F328-I353 HydrophobicContact CD2-CD1 3.84Å; F328-I353 HydrophobicContact CE2-CD1 3.6Å; F328-I353 HydrophobicContact CZ-CD1 4.43Å
329T98.2Very high95.5Very high0 Ų032.4 Ų32.40%016%0.159CC..EExtended strand (participates in β ladder)trans-128.7158.5-17870.50000111.7R73 L75 R296 V297 E299 V327 S331 E350R73-T329 PolarHBondContact NH2-OG1 2.77Å; L75-T329 HydrophobicContact CD1-CG2 4.39Å; L75-T329 HydrophobicContact CD2-CG2 3.88Å; R296-T329 CarbonylContact C-O 3.58Å; R296-T329 WeakPolarHBondContact CA-O 3.15Å; V297-T329 PolarHBondContact N-O 3.49Å; V297-T329 PolarHBondContact O-N 3.07Å; E299-T329 HydrophobicContact CB-CG2 4.3Å; E299-T329 WeakPolarHBondContact OE2-CB 3.3Å; E299-T329 WeakPolarHBondContact OE2-CG2 3.37Å; E299-T329 PolarHBondContact OE2-OG1 2.89Å; V327-T329 HydrophobicContact CG1-CG2 4Å; T329-S331 PolarHBondContact O-N 3Å; T329-S331 VanDerWaalsContact O-N 3.12Å; T329-E350 WeakPolarHBondContact CA-OE2 3.49Å; T329-E350 HydrophobicContact CG2-CB 3.95Å; T329-E350 HydrophobicContact CG2-CG 3.79Å
330C98.1Very high95.5Very high0 Ų034.7 Ų34.70%017%0.171CC..EExtended strand (participates in β ladder)trans-48.1119.7175.4178.50000111.6C289 C292 N332 S333 E350C289-C330 HydrophobicContact CB-CB 4.02Å; C292-C330 PolarHBondContact SG-SG 3.37Å; C330-N332 PolarHBondContact O-N 3.49Å; C330-S333 PolarHBondContact O-N 3.24Å; C330-S333 PolarHBondContact SG-N 3.38Å; C330-S333 VanDerWaalsContact SG-N 3.41Å; C330-E350 PolarHBondContact N-OE2 2.81Å; C330-E350 VanDerWaalsContact N-OE2 3.12Å
331S96.8Very high95.3Very high36 Ų3640.9 Ų40.925%0.25220%0.204SC..THydrogen-bonded Turntrans-53.1-40.8174.951.30000112R272 A294 E295 T329 S333R272-S331 PolarHBondContact NH2-O 3.05Å; A294-S331 WeakPolarHBondContact CB-OG 3.38Å; E295-S331 WeakPolarHBondContact O-CB 3.34Å; E295-S331 PolarHBondContact O-N 2.9Å; E295-S331 PolarHBondContact O-OG 3.36Å; T329-S331 PolarHBondContact O-N 3Å; T329-S331 VanDerWaalsContact O-N 3.12Å; S331-S333 VanDerWaalsContact C-N 3.29Å; S331-S333 PolarHBondContact O-N 2.79Å
332N96.6Very high95.1Very high82 Ų8245.1 Ų45.144%0.43923%0.227SC..THydrogen-bonded Turntrans-77.5-5.2176.6-79.9-14.9000114.6K67 A294 C330 C334K67-N332 VanDerWaalsContact NZ-C 3.28Å; K67-N332 PolarHBondContact NZ-O 2.75Å; A294-N332 HydrophobicContact CB-CB 3.92Å; A294-N332 WeakPolarHBondContact CB-ND2 3.4Å; C330-N332 PolarHBondContact O-N 3.49Å; N332-C334 PolarHBondContact O-N 3.41Å; N332-C334 VanDerWaalsContact O-N 3.1Å
333S96.9Very high95.1Very high1 Ų149.1 Ų49.11%0.00725%0.251CS..  trans35.656.9-172.2-70.60000111.3L64 R73 R98 Q100 C330 S331L64-S333 WeakPolarHBondContact CD1-OG 3.24Å; R73-S333 PolarHBondContact NE-OG 3.08Å; R73-S333 VanDerWaalsContact NE-OG 3.1Å; R98-S333 PolarHBondContact NH1-O 3.23Å; R98-S333 VanDerWaalsContact NH1-O 3.08Å; Q100-S333 PolarHBondContact NE2-O 3.3Å; C330-S333 PolarHBondContact O-N 3.24Å; C330-S333 PolarHBondContact SG-N 3.38Å; C330-S333 VanDerWaalsContact SG-N 3.41Å; S331-S333 VanDerWaalsContact C-N 3.29Å; S331-S333 PolarHBondContact O-N 2.79Å
334C96.4Very high95.3Very high14 Ų1453 Ų5310%0.09527%0.271CS..  trans-52144.7-168.959.10000112.7R98 C292 N332R98-C334 PolarHBondContact NH1-O 3.32Å; R98-C334 PolarHBondContact NH2-O 2.86Å; R98-C334 PolarHBondContact NH2-SG 2.85Å; C292-C334 HydrophobicContact CB-CB 3.92Å; N332-C334 PolarHBondContact O-N 3.41Å; N332-C334 VanDerWaalsContact O-N 3.1Å
335E95.1Very high95.4Very high138 Ų13854.6 Ų54.665%0.64528%0.279SS*.  trans-53.2140.2-166.3-168.5176.6-179.200113.5
336L96.9Very high95.4Very high5 Ų555 Ų553%0.02628%0.281CS..SBendtrans-134.4147.3169.5-63.3168.2000108.4R98 Q100 R338 I345 Q348R98-L336 WeakPolarHBondContact O-CD1 3.36Å; Q100-L336 HydrophobicContact CG-CB 4.06Å; Q100-L336 HydrophobicContact CG-CD1 4.38Å; L336-R338 HydrophobicContact CD2-CG 4.15Å; L336-I345 HydrophobicContact CD2-CG2 4.27Å; L336-I345 WeakPolarHBondContact CD2-O 3.35Å; L336-Q348 HydrophobicContact CD1-CB 4.09Å
337P96Very high95.5Very high67 Ų6755.4 Ų55.444%0.43528%0.283SS..SBendcis-64151.5-627.6-34.8000111.9I344 I345 E346P337-I344 HydrophobicContact CB-CG2 3.81Å; P337-I345 WeakPolarHBondContact CA-O 3.46Å; P337-E346 HydrophobicContact CB-CG 3.87Å
338R94.8Very high95.5Very high46 Ų4655.7 Ų55.717%0.17428%0.284CS..EExtended strand (participates in β ladder)trans-130.9160.9167.770.7178-174.5-111.1-7.9111.1L336 I344 I345L336-R338 HydrophobicContact CD2-CG 4.15Å; R338-I344 WeakPolarHBondContact O-CA 3.33Å; R338-I345 HydrophobicContact CG-CB 4.18Å; R338-I345 PolarHBondContact N-O 2.74Å; R338-I345 PolarHBondContact O-N 3.06Å
339R93.1Very high95.5Very high183 Ų18358.7 Ų58.769%0.69130%0.295SS*.EExtended strand (participates in β ladder)trans-97.7131.1176.1-169.1172178.51661.2110.2N341 T343R339-N341 WeakPolarHBondContact CG-O 3.37Å; R339-N341 PolarHBondContact NE-O 3.12Å; R339-T343 WeakPolarHBondContact CA-O 3.35Å
340N89.9Confident95.5Very high79 Ų7958.9 Ų58.942%0.42230%0.296SS..EExtended strand (participates in β ladder)trans-123.2110.2167.8-175.4-1000107.8N342 T343 I345N340-N342 PolarHBondContact O-N 3.21Å; N340-N342 VanDerWaalsContact O-N 3.09Å; N340-T343 PolarHBondContact N-O 2.73Å; N340-T343 PolarHBondContact O-N 3.3Å; N340-T343 PolarHBondContact O-OG1 2.79Å; N340-I345 HydrophobicContact CB-CD1 3.5Å; N340-I345 VanDerWaalsContact CB-CD1 3.5Å; N340-I345 HydrophobicContact CB-CG1 4.19Å
341N89.7Confident95.4Very high136 Ų13660.9 Ų60.973%0.72731%0.306SS*.THydrogen-bonded Turntrans52.4-114.8-170.2-58.7-42.3000111.7R339R339-N341 WeakPolarHBondContact CG-O 3.37Å; R339-N341 PolarHBondContact NE-O 3.12Å
342N88.8Confident95.4Very high146 Ų14660 Ų6078%0.78130%0.299SS*.THydrogen-bonded Turntrans-102.69.7178.9-71.4-15.2000113.5N340N340-N342 PolarHBondContact O-N 3.21Å; N340-N342 VanDerWaalsContact O-N 3.09Å
343T92Very high95.3Very high84 Ų8456.9 Ų56.952%0.51528%0.282SS..EExtended strand (participates in β ladder)trans-110.7141.5177.660.30000110.9R339 N340R339-T343 WeakPolarHBondContact CA-O 3.35Å; N340-T343 PolarHBondContact N-O 2.73Å; N340-T343 PolarHBondContact O-N 3.3Å; N340-T343 PolarHBondContact O-OG1 2.79Å
344I96.6Very high95.2Very high80 Ų8058.5 Ų58.541%0.4129%0.288SS..EExtended strand (participates in β ladder)trans-92.5130.5168.3-60.8176.3000106.7P337 R338 E346P337-I344 HydrophobicContact CB-CG2 3.81Å; R338-I344 WeakPolarHBondContact O-CA 3.33Å; I344-E346 HydrophobicContact CG2-CG 4.33Å
345I97.3Very high94.9Very high34 Ų3458.3 Ų58.317%0.17429%0.286CS..EExtended strand (participates in β ladder)trans-110.1119.4178.6-59-179.9000107.7L336 P337 R338 N340 Y347L336-I345 HydrophobicContact CD2-CG2 4.27Å; L336-I345 WeakPolarHBondContact CD2-O 3.35Å; P337-I345 WeakPolarHBondContact CA-O 3.46Å; R338-I345 HydrophobicContact CG-CB 4.18Å; R338-I345 PolarHBondContact N-O 2.74Å; R338-I345 PolarHBondContact O-N 3.06Å; N340-I345 HydrophobicContact CB-CD1 3.5Å; N340-I345 VanDerWaalsContact CB-CD1 3.5Å; N340-I345 HydrophobicContact CB-CG1 4.19Å; I345-Y347 VanDerWaalsContact CG2-O 3.26Å; I345-Y347 WeakPolarHBondContact CG2-O 3.33Å
346E98Very high94.6Very high8 Ų854.8 Ų54.84%0.03727%0.27CS..  trans-112.1-4.5173.8-71-176133.800113A35 H38 S99 Y107 P337 I344A35-E346 HydrophobicContact CB-CB 3.57Å; A35-E346 HydrophobicContact CB-CG 4Å; H38-E346 WeakPolarHBondContact CA-OE2 3.3Å; H38-E346 HydrophobicContact CB-CB 4.23Å; H38-E346 HydrophobicContact CB-CG 3.93Å; H38-E346 VanDerWaalsContact CB-OE2 3.28Å; H38-E346 WeakPolarHBondContact CB-OE2 3.34Å; H38-E346 IonicContact CD2-OE2 2.83Å; H38-E346 PolarHBondContact CD2-OE2 3.19Å; H38-E346 IonicContact CG-OE2 3.74Å; H38-E346 PolarHBondContact N-OE2 2.99Å; S99-E346 WeakPolarHBondContact CA-O 3.38Å; S99-E346 WeakPolarHBondContact CB-O 3.19Å; S99-E346 PolarHBondContact OG-O 3.36Å; Y107-E346 WeakPolarHBondContact CE2-OE1 3.42Å; Y107-E346 PolarHBondContact OH-OE1 3.33Å; Y107-E346 PolarHBondContact OH-OE2 2.91Å; Y107-E346 VanDerWaalsContact OH-OE2 3.09Å; P337-E346 HydrophobicContact CB-CG 3.87Å; I344-E346 HydrophobicContact CG2-CG 4.33Å
347Y98.4Very high93.7Very high10 Ų1057.8 Ų57.84%0.03929%0.289CS..  trans-132111.1-179.4-71.1-94.1000109.1W33 L34 A35 H38 L39 P40 F76 F97 R98 I345W33-Y347 WeakPolarHBondContact CB-OH 3.33Å; W33-Y347 HydrophobicContact CE3-CD1 4.35Å; W33-Y347 AromaticContact CE3-CE1 3.42Å; W33-Y347 HydrophobicContact CE3-CE1 3.42Å; W33-Y347 VanDerWaalsContact CE3-CE1 3.42Å; W33-Y347 AromaticContact CE3-CZ 3.55Å; W33-Y347 HydrophobicContact CZ3-CD1 4.08Å; W33-Y347 AromaticContact CZ3-CE1 3.57Å; W33-Y347 HydrophobicContact CZ3-CE1 3.57Å; L34-Y347 PolarHBondContact N-OH 3.04Å; A35-Y347 HydrophobicContact CB-CE2 3.98Å; A35-Y347 PolarHBondContact N-OH 2.77Å; A35-Y347 WeakPolarHBondContact O-CE2 3.35Å; A35-Y347 PolarHBondContact O-OH 3.45Å; H38-Y347 WeakPolarHBondContact O-CD2 3.27Å; L39-Y347 HydrophobicContact CD2-CE2 3.78Å; P40-Y347 HydrophobicContact CG-CD1 4.11Å; P40-Y347 HydrophobicContact CG-CD2 4.23Å; P40-Y347 HydrophobicContact CG-CG 3.75Å; F76-Y347 HydrophobicContact CD2-CD1 4.38Å; F76-Y347 AromaticContact CD2-CE1 3.96Å; F76-Y347 HydrophobicContact CD2-CE1 3.96Å; F76-Y347 AromaticContact CE2-CE1 3.75Å; F76-Y347 HydrophobicContact CE2-CE1 3.75Å; F76-Y347 HydrophobicContact CZ-CE1 4.37Å; F97-Y347 HydrophobicContact CB-CD1 4.26Å; R98-Y347 CarbonylContact O-C 3.51Å; R98-Y347 WeakPolarHBondContact O-CA 3.5Å; I345-Y347 VanDerWaalsContact CG2-O 3.26Å; I345-Y347 WeakPolarHBondContact CG2-O 3.33Å
348Q97.8Very high92.3Very high5 Ų559.9 Ų59.92%0.02330%0.302CS..EExtended strand (participates in β ladder)trans-90.9126.7175.317061.172.600109.6F97 R98 E290 L336 E350F97-Q348 CarbonylContact C-O 3.52Å; F97-Q348 WeakPolarHBondContact CA-O 3.27Å; R98-Q348 PolarHBondContact N-O 3.37Å; R98-Q348 PolarHBondContact O-N 3.49Å; E290-Q348 PolarHBondContact OE1-NE2 3.3Å; L336-Q348 HydrophobicContact CD1-CB 4.09Å; Q348-E350 PolarHBondContact O-N 3.47Å
349R97.6Very high92.1Very high78 Ų7860.6 Ų60.629%0.29431%0.309SS..EExtended strand (participates in β ladder)trans-65.1128.8166.9-172174.2-63.1-131.4-8.4110.7E44 Y95 V96 F97E44-R349 PolarHBondContact O-NH2 2.92Å; Y95-R349 VanDerWaalsContact CD1-NH1 3.32Å; Y95-R349 VanDerWaalsContact CE2-NH1 3.27Å; V96-R349 WeakPolarHBondContact O-CA 3.43Å; F97-R349 HydrophobicContact CD1-CB 4.32Å; F97-R349 HydrophobicContact CE1-CB 4.14Å
350E98Very high92.1Very high5 Ų554.2 Ų54.22%0.02329%0.288CS..EExtended strand (participates in β ladder)trans-110.1-174.8173.5-61.6-68.1-179.200109.8V96 R98 R296 T329 C330 Q348V96-E350 HydrophobicContact CG1-CB 3.64Å; V96-E350 VanDerWaalsContact CG1-O 3.29Å; V96-E350 WeakPolarHBondContact CG1-O 3.34Å; V96-E350 HydrophobicContact CG2-CB 4.33Å; V96-E350 PolarHBondContact O-N 3.42Å; R98-E350 HydrophobicContact CB-CG 3.78Å; R98-E350 IonicContact CZ-OE1 3Å; R98-E350 IonicContact NE-OE1 3.47Å; R98-E350 PolarHBondContact NE-OE1 2.95Å; R98-E350 IonicContact NH2-OE1 2.66Å; R296-E350 IonicContact CZ-OE2 2.78Å; R296-E350 IonicContact NE-OE2 3.74Å; R296-E350 PolarHBondContact NE-OE2 2.91Å; R296-E350 VanDerWaalsContact NE-OE2 3.16Å; R296-E350 IonicContact NH2-OE2 2.92Å; T329-E350 WeakPolarHBondContact CA-OE2 3.49Å; T329-E350 HydrophobicContact CG2-CB 3.95Å; T329-E350 HydrophobicContact CG2-CG 3.79Å; C330-E350 PolarHBondContact N-OE2 2.81Å; C330-E350 VanDerWaalsContact N-OE2 3.12Å; Q348-E350 PolarHBondContact O-N 3.47Å
351I97.2Very high92.2Very high42 Ų4252.8 Ų52.822%0.21528%0.281CS..EExtended strand (participates in β ladder)trans-100.9132.5-176.8-61.3-62000110.1V286 R296 F328 I353V286-I351 HydrophobicContact CG1-CB 4.31Å; V286-I351 HydrophobicContact CG1-CG1 4.38Å; V286-I351 HydrophobicContact CG1-CG2 4.21Å; R296-I351 VanDerWaalsContact CD-CG1 3.49Å; F328-I351 HydrophobicContact CB-CB 4.26Å; F328-I351 PolarHBondContact N-O 2.97Å; F328-I351 PolarHBondContact O-N 3.16Å; I351-I353 HydrophobicContact CG2-CD1 4.29Å; I351-I353 HydrophobicContact CG2-CG1 4.07Å
352V96.6Very high92.3Very high16 Ų1647.9 Ų47.910%0.09726%0.255CS..EExtended strand (participates in β ladder)trans-122.5124.5167.956.50000108.3L77 T92 F94 V96 L325 Y326 V327L77-V352 HydrophobicContact CD1-CB 4.38Å; L77-V352 HydrophobicContact CD1-CG2 4.26Å; T92-V352 HydrophobicContact CG2-CG1 4.24Å; F94-V352 HydrophobicContact CB-CG1 3.73Å; F94-V352 HydrophobicContact CB-CG2 4.28Å; F94-V352 WeakPolarHBondContact O-CG1 3.25Å; V96-V352 HydrophobicContact CG1-CB 4.04Å; V96-V352 HydrophobicContact CG1-CG1 4.31Å; L325-V352 HydrophobicContact CB-CG2 4.06Å; Y326-V352 WeakPolarHBondContact O-CA 3.14Å; V327-V352 HydrophobicContact CG2-CG2 4.33Å
353I94.9Very high92.6Very high18 Ų1841.8 Ų41.89%0.09222%0.222CC..EExtended strand (participates in β ladder)trans-104.4133174.8-68.7157.5000107.4W278 V284 V286 L325 Y326 F328 I351W278-I353 HydrophobicContact CH2-CD1 4.18Å; W278-I353 HydrophobicContact CZ3-CG2 4.01Å; V284-I353 HydrophobicContact CB-CD1 3.99Å; V284-I353 HydrophobicContact CG1-CB 4.49Å; V284-I353 HydrophobicContact CG1-CD1 3.27Å; V284-I353 HydrophobicContact CG1-CG1 3.71Å; V284-I353 HydrophobicContact CG1-CG2 3.98Å; V284-I353 HydrophobicContact CG2-CG2 4.18Å; V286-I353 HydrophobicContact CG2-CD1 3.84Å; L325-I353 CarbonylContact C-O 3.51Å; L325-I353 WeakPolarHBondContact CA-O 3.11Å; Y326-I353 HydrophobicContact CD2-CB 4.42Å; Y326-I353 HydrophobicContact CD2-CG2 4.21Å; Y326-I353 PolarHBondContact N-O 3.08Å; Y326-I353 PolarHBondContact O-N 3.32Å; F328-I353 HydrophobicContact CD2-CD1 3.84Å; F328-I353 HydrophobicContact CE2-CD1 3.6Å; F328-I353 HydrophobicContact CZ-CD1 4.43Å; I351-I353 HydrophobicContact CG2-CD1 4.29Å; I351-I353 HydrophobicContact CG2-CG1 4.07Å
354R93.3Very high92.6Very high34 Ų3438.9 Ų38.913%0.12820%0.202CC..EExtended strand (participates in β ladder)trans-110132.2175.8177.3-163.866.8178.1-1.3108.7H86 K88 H91 T92 F94 F322 L325H86-R354 VanDerWaalsContact C-NH1 3.27Å; H86-R354 VanDerWaalsContact CA-NH1 3.32Å; H86-R354 PolarHBondContact O-NH1 3.49Å; K88-R354 PolarHBondContact O-NH2 3.25Å; H91-R354 PolarHBondContact O-NH2 2.73Å; T92-R354 HydrophobicContact CG2-CB 4.03Å; F94-R354 HydrophobicContact CE2-CG 4.38Å; F322-R354 HydrophobicContact CB-CG 3.8Å; L325-R354 HydrophobicContact CD2-CB 3.76Å; L325-R354 HydrophobicContact CD2-CG 3.74Å
355Q91.7Very high92.3Very high11 Ų1136 Ų365%0.05119%0.187CC..EExtended strand (participates in β ladder)trans-118.6141.7164.9-65.7-175.8-1900109.4L279 S280 G323 S324 Y326L279-Q355 HydrophobicContact CB-CB 4.23Å; L279-Q355 HydrophobicContact CD1-CB 4.49Å; S280-Q355 VanDerWaalsContact N-OE1 3.09Å; S280-Q355 VanDerWaalsContact OG-CD 3.29Å; S280-Q355 PolarHBondContact OG-NE2 3.07Å; G323-Q355 WeakPolarHBondContact CA-O 3.5Å; G323-Q355 PolarHBondContact N-O 3.47Å; S324-Q355 PolarHBondContact N-O 3.12Å; S324-Q355 PolarHBondContact O-N 2.76Å; Y326-Q355 HydrophobicContact CE2-CB 4.03Å; Y326-Q355 HydrophobicContact CE2-CG 3.85Å; Y326-Q355 PolarHBondContact OH-OE1 3.42Å
356M88Confident91.9Very high64 Ų6436.2 Ų36.232%0.31519%0.188SC..  trans-81.7161170.3-58.7-56.4-69.700109Y87 D321Y87-M356 HydrophobicContact CE1-CE 4.34Å; D321-M356 HydrophobicContact CB-CE 4.21Å
357V77.3Confident91.4Very high68 Ų6838.5 Ų38.541%0.41220%0.201SC..  trans-64.4136.3164.3-175.40000107.5F253F253-V357 HydrophobicContact CD2-CG1 4.49Å; F253-V357 HydrophobicContact CE2-CG1 3.77Å; F253-V357 HydrophobicContact CZ-CG1 3.77Å
358P66.6Low90.8Very high111 Ų11141.1 Ų41.172%0.72122%0.216SC*.  trans-52.90175-25.534.2000113.7E249E249-P358 HydrophobicContact CB-CG 4.43Å

Retrieved 358 of 358 residues in 74.6 ms (Link to these results)

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