A0A096NUK8_PAPAN Loading...

Protein AAR2 homolog

Component of the U5 snRNP complex that is required for spliceosome assembly and for pre-mRNA splicing.

AlphaFold DB (A0A2K5LLU2), UniProt , Accession A0A096NUK8, Species PAPAN (Papio anubis, Olive baboon), Gene AAR2, Length 384 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
1M38Very low70.2Confident235 Ų235109.7 Ų109.7100%1.15862%0.623SS**  01240-74.5-163.7-80.500108A3M1-A3 PolarHBondContact O-N 2.89Å; M1-A3 VanDerWaalsContact O-N 3.08Å
2A32.4Very low72.1Confident103 Ų103111.5 Ų111.585%0.85162%0.618SS**  trans-63.2112.3177.800000108.2L4A2-L4 PolarHBondContact O-N 3.31Å
3A45.4Very low73.8Confident91 Ų91114.8 Ų114.875%0.75262%0.615SS**  trans-55.1114.7165.900000106M1 Q5M1-A3 PolarHBondContact O-N 2.89Å; M1-A3 VanDerWaalsContact O-N 3.08Å; A3-Q5 VanDerWaalsContact C-N 3.35Å; A3-Q5 PolarHBondContact O-N 2.89Å
4L53.8Low75.3Confident153 Ų153108.8 Ų108.880%0.80158%0.583SS**  trans-51.3110.6165.1-110.9127.8000105.2A2 M6A2-L4 PolarHBondContact O-N 3.31Å; L4-M6 VanDerWaalsContact C-N 3.27Å; L4-M6 PolarHBondContact O-N 2.79Å
5Q65.4Low76.5Confident193 Ų193102.6 Ų102.690%0.90255%0.549SS*.  trans-70.594.9-172.6-151.4172.912.200105.9A3 D7A3-Q5 VanDerWaalsContact C-N 3.35Å; A3-Q5 PolarHBondContact O-N 2.89Å; Q5-D7 PolarHBondContact O-N 3.06Å
6M80.7Confident77.5Confident57 Ų57103.1 Ų103.128%0.28155%0.545SS..  trans-57.9135.3178.7-176.3179.4-71.600108L4 L10 A11 L14 Y127L4-M6 VanDerWaalsContact C-N 3.27Å; L4-M6 PolarHBondContact O-N 2.79Å; M6-L10 HydrophobicContact CG-CB 4.49Å; M6-L10 HydrophobicContact CG-CD2 4.1Å; M6-L10 HydrophobicContact CG-CG 4.32Å; M6-L10 HydrophobicContact SD-CG 4.47Å; M6-A11 HydrophobicContact CG-CB 4.29Å; M6-A11 HydrophobicContact SD-CB 3.92Å; M6-L14 HydrophobicContact CE-CD1 3.97Å; M6-L14 HydrophobicContact SD-CD1 3.69Å; M6-Y127 HydrophobicContact CE-CD2 3.41Å; M6-Y127 VanDerWaalsContact CE-CD2 3.41Å; M6-Y127 HydrophobicContact CE-CE2 4.01Å; M6-Y127 HydrophobicContact CE-CG 3.98Å
7D89.8Confident78.5Confident92 Ų92100.7 Ų100.749%0.49253%0.53SS..  trans-52127.4176171.162.2000109.9Q5 E9 L10 A11Q5-D7 PolarHBondContact O-N 3.06Å; D7-E9 PolarHBondContact O-N 3.08Å; D7-E9 WeakPolarHBondContact OD2-CB 3.39Å; D7-E9 PolarHBondContact OD2-N 3.11Å; D7-L10 HydrophobicContact CB-CB 4.05Å; D7-L10 WeakPolarHBondContact O-CB 3.38Å; D7-L10 PolarHBondContact O-N 3.43Å; D7-L10 VanDerWaalsContact O-N 3.15Å; D7-L10 PolarHBondContact OD2-N 3.39Å; D7-A11 PolarHBondContact O-N 2.87Å
8P90.3Very high79.5Confident92 Ų9295.4 Ų95.460%0.59750%0.503SS*.Hα-helixtrans-59.3-31.9-174.7-27.735.3000114.1A11 K12P8-A11 PolarHBondContact O-N 2.91Å; P8-K12 WeakPolarHBondContact O-CG 3.47Å; P8-K12 PolarHBondContact O-N 3.47Å; P8-K12 VanDerWaalsContact O-N 3.1Å
9E92.6Very high80.4Confident89 Ų8990.4 Ų90.442%0.41648%0.477SS..Hα-helixtrans-72.5-42.9178.2-17959.5-156.400110.8D7 A11 K12 R13D7-E9 PolarHBondContact O-N 3.08Å; D7-E9 WeakPolarHBondContact OD2-CB 3.39Å; D7-E9 PolarHBondContact OD2-N 3.11Å; E9-A11 VanDerWaalsContact C-N 3.34Å; E9-A11 PolarHBondContact O-N 3.4Å; E9-K12 PolarHBondContact O-N 3.26Å; E9-R13 WeakPolarHBondContact O-CG 3.2Å; E9-R13 PolarHBondContact O-N 3.28Å; E9-R13 VanDerWaalsContact O-N 3.12Å; E9-R13 IonicContact OE1-CZ 3.46Å; E9-R13 IonicContact OE1-NE 3.84Å; E9-R13 PolarHBondContact OE1-NE 3.48Å; E9-R13 IonicContact OE1-NH2 3.54Å; E9-R13 PolarHBondContact OE1-NH2 2.85Å
10L92.4Very high81.3Confident80 Ų8086 Ų8642%0.41945%0.454SS..Hα-helixtrans-58.2-44.8169.917961.4000111.8M6 D7 K12 R13 L14M6-L10 HydrophobicContact CG-CB 4.49Å; M6-L10 HydrophobicContact CG-CD2 4.1Å; M6-L10 HydrophobicContact CG-CG 4.32Å; M6-L10 HydrophobicContact SD-CG 4.47Å; D7-L10 HydrophobicContact CB-CB 4.05Å; D7-L10 WeakPolarHBondContact O-CB 3.38Å; D7-L10 PolarHBondContact O-N 3.43Å; D7-L10 VanDerWaalsContact O-N 3.15Å; D7-L10 PolarHBondContact OD2-N 3.39Å; L10-K12 VanDerWaalsContact C-N 3.34Å; L10-K12 PolarHBondContact O-N 2.84Å; L10-R13 PolarHBondContact O-N 2.85Å; L10-R13 VanDerWaalsContact O-N 3.16Å; L10-L14 HydrophobicContact CD1-CD1 4.01Å; L10-L14 HydrophobicContact CD1-CD2 4.48Å; L10-L14 HydrophobicContact CD1-CG 3.96Å; L10-L14 HydrophobicContact CD2-CD1 4.42Å; L10-L14 HydrophobicContact CG-CD1 3.84Å; L10-L14 HydrophobicContact CG-CG 4.22Å; L10-L14 WeakPolarHBondContact O-CB 3.35Å; L10-L14 WeakPolarHBondContact O-CG 3.34Å; L10-L14 PolarHBondContact O-N 3.42Å
11A91.8Very high82.1Confident22 Ų2282 Ų8218%0.18243%0.433CS..Hα-helixtrans-60.2-42.6179.400000112M6 D7 P8 E9 R13 L14 F15 M50M6-A11 HydrophobicContact CG-CB 4.29Å; M6-A11 HydrophobicContact SD-CB 3.92Å; D7-A11 PolarHBondContact O-N 2.87Å; P8-A11 PolarHBondContact O-N 2.91Å; E9-A11 VanDerWaalsContact C-N 3.34Å; E9-A11 PolarHBondContact O-N 3.4Å; A11-R13 PolarHBondContact O-N 3.29Å; A11-L14 PolarHBondContact O-N 3.44Å; A11-F15 WeakPolarHBondContact O-CB 3.37Å; A11-F15 PolarHBondContact O-N 3.41Å; A11-M50 HydrophobicContact CB-CE 4.32Å; A11-M50 WeakPolarHBondContact O-CE 3.45Å
12K92.6Very high84.9Confident131 Ų13170.8 Ų70.857%0.5738%0.378SS*.Hα-helixtrans-60.9-43174.5-72.7174.8-173174.70112P8 E9 L10 F15 F16P8-K12 WeakPolarHBondContact O-CG 3.47Å; P8-K12 PolarHBondContact O-N 3.47Å; P8-K12 VanDerWaalsContact O-N 3.1Å; E9-K12 PolarHBondContact O-N 3.26Å; L10-K12 VanDerWaalsContact C-N 3.34Å; L10-K12 PolarHBondContact O-N 2.84Å; K12-F15 WeakPolarHBondContact O-CB 3.34Å; K12-F15 PolarHBondContact O-N 2.73Å; K12-F16 WeakPolarHBondContact O-CD2 3.49Å
13R93.8Very high87.9Confident154 Ų15466 Ų6658%0.58134%0.338SS*.Hα-helixtrans-64-47.7177.3-68.1176-169.8-171.42.1111.2E9 L10 A11 F15 F16 E17E9-R13 WeakPolarHBondContact O-CG 3.2Å; E9-R13 PolarHBondContact O-N 3.28Å; E9-R13 VanDerWaalsContact O-N 3.12Å; E9-R13 IonicContact OE1-CZ 3.46Å; E9-R13 IonicContact OE1-NE 3.84Å; E9-R13 PolarHBondContact OE1-NE 3.48Å; E9-R13 IonicContact OE1-NH2 3.54Å; E9-R13 PolarHBondContact OE1-NH2 2.85Å; L10-R13 PolarHBondContact O-N 2.85Å; L10-R13 VanDerWaalsContact O-N 3.16Å; A11-R13 PolarHBondContact O-N 3.29Å; R13-F15 PolarHBondContact O-N 3.19Å; R13-F16 PolarHBondContact O-N 3.31Å; R13-E17 WeakPolarHBondContact O-CB 3.27Å; R13-E17 WeakPolarHBondContact O-CG 3.31Å; R13-E17 PolarHBondContact O-N 3.03Å
14L94.6Very high90.2Very high31 Ų3162.7 Ų62.716%0.16231%0.307CS..Hα-helixtrans-64.4-29.4179.1-69.3177.3000112.8M6 L10 A11 F16 G18 M50 Y127M6-L14 HydrophobicContact CE-CD1 3.97Å; M6-L14 HydrophobicContact SD-CD1 3.69Å; L10-L14 HydrophobicContact CD1-CD1 4.01Å; L10-L14 HydrophobicContact CD1-CD2 4.48Å; L10-L14 HydrophobicContact CD1-CG 3.96Å; L10-L14 HydrophobicContact CD2-CD1 4.42Å; L10-L14 HydrophobicContact CG-CD1 3.84Å; L10-L14 HydrophobicContact CG-CG 4.22Å; L10-L14 WeakPolarHBondContact O-CB 3.35Å; L10-L14 WeakPolarHBondContact O-CG 3.34Å; L10-L14 PolarHBondContact O-N 3.42Å; A11-L14 PolarHBondContact O-N 3.44Å; L14-F16 VanDerWaalsContact C-N 3.3Å; L14-F16 PolarHBondContact O-N 3.19Å; L14-G18 WeakPolarHBondContact O-CA 3.44Å; L14-G18 PolarHBondContact O-N 3.17Å; L14-M50 HydrophobicContact CB-CB 4.01Å; L14-M50 HydrophobicContact CB-CG 3.96Å; L14-M50 HydrophobicContact CB-SD 4.49Å; L14-Y127 HydrophobicContact CD1-CD2 4.44Å; L14-Y127 HydrophobicContact CD1-CE1 4.37Å; L14-Y127 HydrophobicContact CD1-CE2 3.77Å; L14-Y127 WeakPolarHBondContact CD2-OH 3.48Å
15F94.3Very high92.1Very high16 Ų1660.8 Ų60.87%0.0730%0.298CS..Hα-helixtrans-60.2-41.1174.5179-110000112.2A11 K12 R13 K49 M50 L115 Q116 D119A11-F15 WeakPolarHBondContact O-CB 3.37Å; A11-F15 PolarHBondContact O-N 3.41Å; K12-F15 WeakPolarHBondContact O-CB 3.34Å; K12-F15 PolarHBondContact O-N 2.73Å; R13-F15 PolarHBondContact O-N 3.19Å; F15-K49 HydrophobicContact CD2-CD 3.87Å; F15-K49 HydrophobicContact CE2-CD 4.04Å; F15-M50 HydrophobicContact CB-CE 3.98Å; F15-M50 HydrophobicContact CD2-CE 4.41Å; F15-L115 HydrophobicContact CE2-CG 4.33Å; F15-L115 HydrophobicContact CZ-CD2 4.27Å; F15-L115 HydrophobicContact CZ-CG 3.85Å; F15-Q116 HydrophobicContact CE1-CG 4.25Å; F15-D119 VanDerWaalsContact CD2-OD1 3.3Å; F15-D119 WeakPolarHBondContact CD2-OD1 3.4Å; F15-D119 HydrophobicContact CE2-CB 4.02Å; F15-D119 WeakPolarHBondContact CE2-OD1 3.5Å; F15-D119 HydrophobicContact CZ-CB 4.06Å
16F91.9Very high93.5Very high110 Ų11052.3 Ų52.348%0.48226%0.259SS..Hα-helixtrans-87.2-34-179.8-67.4-68.5000113.4K12 R13 L14 R84K12-F16 WeakPolarHBondContact O-CD2 3.49Å; R13-F16 PolarHBondContact O-N 3.31Å; L14-F16 VanDerWaalsContact C-N 3.3Å; L14-F16 PolarHBondContact O-N 3.19Å; F16-R84 VanDerWaalsContact O-CG 3.31Å; F16-R84 WeakPolarHBondContact O-CG 3.21Å
17E95.1Very high94.1Very high63 Ų6351.4 Ų51.429%0.29426%0.257SS..Hα-helixtrans-86.7-33.1-176.5-64-61.1168.400113.4R13 Q83 R84R13-E17 WeakPolarHBondContact O-CB 3.27Å; R13-E17 WeakPolarHBondContact O-CG 3.31Å; R13-E17 PolarHBondContact O-N 3.03Å; E17-Q83 WeakPolarHBondContact O-CG 3.3Å; E17-Q83 PolarHBondContact OE2-NE2 3.31Å; E17-R84 VanDerWaalsContact CD-NH2 3.31Å; E17-R84 PolarHBondContact O-N 3.47Å; E17-R84 IonicContact OE1-CZ 3.71Å; E17-R84 IonicContact OE1-NE 3.72Å; E17-R84 IonicContact OE1-NH2 3.42Å; E17-R84 PolarHBondContact OE1-NH2 2.85Å; E17-R84 IonicContact OE2-CZ 2.74Å; E17-R84 IonicContact OE2-NE 3.6Å; E17-R84 PolarHBondContact OE2-NE 2.95Å; E17-R84 IonicContact OE2-NH2 3.85Å; E17-R84 PolarHBondContact OE2-NH2 3.41Å; E17-R84 VanDerWaalsContact OE2-NH2 3.16Å
18G95.9Very high94.2Very high5 Ų553.7 Ų53.75%0.05226%0.262CS..SBendtrans-71.2156.4178.900000112.3L14 I51L14-G18 WeakPolarHBondContact O-CA 3.44Å; L14-G18 PolarHBondContact O-N 3.17Å; G18-I51 CarbonylContact C-O 3.52Å; G18-I51 WeakPolarHBondContact CA-O 3.31Å
19A97.6Very high94.4Very high0 Ų050 Ų500%024%0.241CC..EExtended strand (participates in β ladder)trans-70.4156.6167.500000110.9M50 I51 L81 H82 G85A19-M50 PolarHBondContact O-N 2.82Å; A19-I51 HydrophobicContact CB-CB 4.21Å; A19-I51 PolarHBondContact N-O 2.9Å; A19-I51 PolarHBondContact O-N 2.78Å; A19-L81 HydrophobicContact CB-CB 3.82Å; A19-L81 HydrophobicContact CB-CD1 4.25Å; A19-L81 HydrophobicContact CB-CG 4.43Å; A19-H82 WeakPolarHBondContact CB-O 3.28Å; A19-G85 CarbonylContact C-O 3.43Å; A19-G85 VanDerWaalsContact CA-O 3.23Å; A19-G85 WeakPolarHBondContact CA-O 3.44Å
20T97.9Very high94.5Very high2 Ų245.7 Ų45.71%0.01222%0.221CC..EExtended strand (participates in β ladder)trans-128.9132.6173.4-62.10000109.4V22 V48 K49 G85 L86 T87 L115 L122T20-V22 HydrophobicContact CG2-CG2 4.08Å; T20-V48 WeakPolarHBondContact CA-O 3.48Å; T20-K49 HydrophobicContact CG2-CB 4.44Å; T20-G85 PolarHBondContact N-O 3.16Å; T20-L86 HydrophobicContact CG2-CD1 3.93Å; T20-L86 WeakPolarHBondContact O-CA 3.28Å; T20-T87 PolarHBondContact O-N 3.35Å; T20-L115 HydrophobicContact CG2-CD1 4.07Å; T20-L122 HydrophobicContact CG2-CD1 3.71Å; T20-L122 HydrophobicContact CG2-CD2 4.32Å
21V97.6Very high94.6Very high2 Ų243.9 Ų43.91%0.01221%0.21CC..EExtended strand (participates in β ladder)trans-113.1119.4170.8178.80000107.8I23 G47 V48 I51 L58 L79 L81 T87 L89V21-I23 HydrophobicContact CG1-CG1 4.11Å; V21-G47 CarbonylContact O-C 3.55Å; V21-G47 WeakPolarHBondContact O-CA 3.11Å; V21-V48 PolarHBondContact N-O 3.46Å; V21-V48 PolarHBondContact O-N 3.15Å; V21-I51 HydrophobicContact CB-CD1 4.1Å; V21-I51 HydrophobicContact CG2-CD1 3.68Å; V21-L58 HydrophobicContact CG1-CD2 3.92Å; V21-L79 HydrophobicContact CG1-CD1 4.4Å; V21-L79 HydrophobicContact CG2-CD1 3.97Å; V21-L81 HydrophobicContact CG2-CD1 3.89Å; V21-L81 HydrophobicContact CG2-CD2 3.97Å; V21-T87 CarbonylContact C-O 3.51Å; V21-T87 WeakPolarHBondContact CA-O 3.34Å; V21-L89 HydrophobicContact CG1-CD1 4.19Å
22V97Very high94.9Very high1 Ų143 Ų431%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-102.3130.8174.2-179.70000108.3T20 L24 R46 L86 T87 L89 M111 L122T20-V22 HydrophobicContact CG2-CG2 4.08Å; V22-L24 HydrophobicContact CG1-CD2 3.82Å; V22-L24 HydrophobicContact CG1-CG 4.35Å; V22-R46 CarbonylContact C-O 3.53Å; V22-R46 VanDerWaalsContact CA-O 3.27Å; V22-R46 WeakPolarHBondContact CA-O 3.15Å; V22-R46 WeakPolarHBondContact CG1-O 3.3Å; V22-L86 HydrophobicContact CG2-CD1 3.92Å; V22-T87 PolarHBondContact N-O 3.29Å; V22-L89 PolarHBondContact O-N 3.15Å; V22-M111 HydrophobicContact CB-SD 4.35Å; V22-M111 HydrophobicContact CG1-SD 3.99Å; V22-M111 HydrophobicContact CG2-SD 4.46Å; V22-L122 HydrophobicContact CG2-CD2 4.24Å
23I96.2Very high95.1Very high2 Ų236.7 Ų36.71%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-123.5107.6174.3-49.1177.1000108.1V21 M26 F32 R46 L58 L89 V98V21-I23 HydrophobicContact CG1-CG1 4.11Å; I23-M26 HydrophobicContact CD1-CE 4.07Å; I23-M26 HydrophobicContact CG2-CB 4.35Å; I23-M26 HydrophobicContact CG2-CE 3.91Å; I23-F32 HydrophobicContact CD1-CD2 4.18Å; I23-F32 HydrophobicContact CD1-CE2 3.44Å; I23-F32 VanDerWaalsContact CD1-CE2 3.44Å; I23-F32 HydrophobicContact CD1-CZ 4.04Å; I23-R46 PolarHBondContact N-O 3.08Å; I23-L58 HydrophobicContact CD1-CD2 4.47Å; I23-L89 WeakPolarHBondContact CA-O 3.5Å; I23-L89 HydrophobicContact CG1-CB 4.29Å; I23-L89 HydrophobicContact CG1-CD1 4.43Å; I23-L89 HydrophobicContact CG2-CB 4.45Å; I23-V98 HydrophobicContact CG2-CG1 4.35Å; I23-V98 HydrophobicContact CG2-CG2 4.28Å
24L93.9Very high95.3Very high22 Ų2229.4 Ų29.412%0.11515%0.147CC..EExtended strand (participates in β ladder)trans-79.3145.4-179.4-62.7-174.3000111.7V22 M26 L89 R90 W91 M111V22-L24 HydrophobicContact CG1-CD2 3.82Å; V22-L24 HydrophobicContact CG1-CG 4.35Å; L24-M26 PolarHBondContact O-N 2.76Å; L24-L89 PolarHBondContact N-O 2.64Å; L24-R90 HydrophobicContact CB-CG 4.32Å; L24-R90 VanDerWaalsContact CD1-NH1 3.27Å; L24-W91 WeakPolarHBondContact O-CB 3.06Å; L24-W91 PolarHBondContact O-N 3.25Å; L24-M111 HydrophobicContact CD1-CE 3.6Å; L24-M111 HydrophobicContact CD2-CE 3.96Å; L24-M111 HydrophobicContact CG-CE 4.04Å
25N93.1Very high95.5Very high112 Ų11227.9 Ų27.960%0.59914%0.14SC*.THydrogen-bonded Turntrans61.720170.9-53.5-27.5000115.5W91N25-W91 HydrophobicContact CB-CB 4.34Å; N25-W91 VanDerWaalsContact O-CB 3.28Å; N25-W91 WeakPolarHBondContact O-CB 3.32Å
26M93.8Very high95.6Very high16 Ų1628.2 Ų28.28%0.07914%0.143CC..PPolyproline II helixtrans-62.7128.6173.3-172.2166.2-94.300109.9I23 L24 T30 F32 V41 F45 Y60 W91 V98I23-M26 HydrophobicContact CD1-CE 4.07Å; I23-M26 HydrophobicContact CG2-CB 4.35Å; I23-M26 HydrophobicContact CG2-CE 3.91Å; L24-M26 PolarHBondContact O-N 2.76Å; M26-T30 HydrophobicContact CG-CG2 4.14Å; M26-T30 HydrophobicContact SD-CG2 4.24Å; M26-F32 HydrophobicContact CE-CD2 3.95Å; M26-F32 HydrophobicContact SD-CB 4.14Å; M26-F32 HydrophobicContact SD-CD2 3.93Å; M26-F32 HydrophobicContact SD-CG 4.26Å; M26-V41 HydrophobicContact CG-CG1 4.27Å; M26-V41 HydrophobicContact CG-CG2 4.09Å; M26-V41 HydrophobicContact SD-CG2 3.67Å; M26-F45 HydrophobicContact SD-CE1 4.44Å; M26-Y60 HydrophobicContact CE-CG 4.45Å; M26-W91 HydrophobicContact CE-CE3 4.1Å; M26-W91 HydrophobicContact CE-CZ3 4.23Å; M26-W91 HydrophobicContact CG-CE3 4.43Å; M26-V98 HydrophobicContact CE-CG2 3.7Å
27P93.2Very high95.8Very high38 Ų3824.6 Ų24.625%0.24713%0.129CC..PPolyproline II helixtrans-61.8140.7-177.6-23.533.2000112.5G29 T30 V41 V63 W91P27-G29 PolarHBondContact O-N 3.29Å; P27-T30 WeakPolarHBondContact O-CB 3.49Å; P27-T30 PolarHBondContact O-N 3.4Å; P27-T30 PolarHBondContact O-OG1 2.92Å; P27-V41 WeakPolarHBondContact O-CG1 3.47Å; P27-V63 HydrophobicContact CB-CG1 4.31Å; P27-W91 HydrophobicContact CG-CD2 4.25Å; P27-W91 HydrophobicContact CG-CG 4.39Å; P27-W91 HydrophobicContact CG-CZ2 4.1Å
28K93.6Very high95.8Very high139 Ų13923.9 Ų23.960%0.60413%0.131SC*.THydrogen-bonded Turntrans-62.8134.4169.4-179.2-167.4170.6-169.20109V41 P43 V63K28-V41 WeakPolarHBondContact CA-O 3.47Å; K28-V41 WeakPolarHBondContact CG-O 3.48Å; K28-P43 HydrophobicContact CD-CB 4.39Å; K28-V63 WeakPolarHBondContact O-CG1 3.45Å
29G92.8Very high95.8Very high14 Ų1429.1 Ų29.114%0.14415%0.149CC..THydrogen-bonded Turntrans97.2-16.6-178.700000113.5P27 E31 V41P27-G29 PolarHBondContact O-N 3.29Å; G29-E31 PolarHBondContact O-N 2.74Å; G29-V41 PolarHBondContact N-O 2.83Å
30T94.9Very high95.6Very high0 Ų035.9 Ų35.90%018%0.181CC..  trans-57133.1172.5-68.10000109.4M26 P27 F32 V41M26-T30 HydrophobicContact CG-CG2 4.14Å; M26-T30 HydrophobicContact SD-CG2 4.24Å; P27-T30 WeakPolarHBondContact O-CB 3.49Å; P27-T30 PolarHBondContact O-N 3.4Å; P27-T30 PolarHBondContact O-OG1 2.92Å; T30-F32 PolarHBondContact O-N 2.92Å; T30-V41 WeakPolarHBondContact O-CB 3.27Å; T30-V41 WeakPolarHBondContact O-CG2 3.04Å; T30-V41 PolarHBondContact O-N 2.93Å
31E95.8Very high95.5Very high41 Ų4136 Ų3619%0.19218%0.182CC..EExtended strand (participates in β ladder)trans-71.6125.9166.8-172.7-168.4-170.100107.3G29 S38 Y60 S61 R74G29-E31 PolarHBondContact O-N 2.74Å; E31-S38 WeakPolarHBondContact OE1-CB 3.46Å; E31-S38 PolarHBondContact OE1-OG 3.14Å; E31-Y60 CarbonylContact O-C 3.42Å; E31-Y60 WeakPolarHBondContact O-CA 2.9Å; E31-Y60 VanDerWaalsContact O-CB 3.26Å; E31-Y60 WeakPolarHBondContact O-CB 3.48Å; E31-S61 PolarHBondContact N-O 3.09Å; E31-S61 PolarHBondContact O-N 2.85Å; E31-S61 PolarHBondContact OE2-OG 3.49Å; E31-R74 IonicContact OE1-NH2 2.83Å; E31-R74 PolarHBondContact OE1-NH2 3.05Å; E31-R74 IonicContact OE2-CZ 2.59Å; E31-R74 IonicContact OE2-NE 2.89Å; E31-R74 IonicContact OE2-NH2 3.78Å; E31-R74 PolarHBondContact OE2-NH2 3.42Å
32F97.1Very high95.3Very high3 Ų337.2 Ų37.21%0.01320%0.195CC..EExtended strand (participates in β ladder)trans-125.5133.4174.7173.4-94.5000109.7I23 M26 T30 S38 W39 V41 F45 V48 L58I23-F32 HydrophobicContact CD1-CD2 4.18Å; I23-F32 HydrophobicContact CD1-CE2 3.44Å; I23-F32 VanDerWaalsContact CD1-CE2 3.44Å; I23-F32 HydrophobicContact CD1-CZ 4.04Å; M26-F32 HydrophobicContact CE-CD2 3.95Å; M26-F32 HydrophobicContact SD-CB 4.14Å; M26-F32 HydrophobicContact SD-CD2 3.93Å; M26-F32 HydrophobicContact SD-CG 4.26Å; T30-F32 PolarHBondContact O-N 2.92Å; F32-S38 CarbonylContact O-C 3.44Å; F32-S38 VanDerWaalsContact O-CA 3.25Å; F32-S38 WeakPolarHBondContact O-CA 3.21Å; F32-W39 PolarHBondContact N-O 2.97Å; F32-W39 PolarHBondContact O-N 2.59Å; F32-V41 HydrophobicContact CB-CG2 3.57Å; F32-F45 AromaticContact CD1-CE1 3.96Å; F32-F45 HydrophobicContact CD1-CE1 3.96Å; F32-F45 AromaticContact CD1-CZ 3.61Å; F32-F45 HydrophobicContact CD1-CZ 3.61Å; F32-F45 HydrophobicContact CE1-CE1 4.36Å; F32-F45 AromaticContact CE1-CZ 3.77Å; F32-F45 HydrophobicContact CE1-CZ 3.77Å; F32-F45 HydrophobicContact CG-CE1 4.16Å; F32-F45 HydrophobicContact CG-CZ 4.27Å; F32-V48 HydrophobicContact CE1-CG2 3.63Å; F32-V48 HydrophobicContact CZ-CG2 4.2Å; F32-L58 HydrophobicContact CE2-CD2 4.17Å; F32-L58 HydrophobicContact CZ-CD2 3.97Å; F32-L58 HydrophobicContact CZ-CG 4.38Å
33G97.6Very high95Very high0 Ų042.6 Ų42.60%023%0.23CC..EExtended strand (participates in β ladder)trans-133.3151.9176.700000113.4N37 L58 Y59G33-N37 CarbonylContact C-O 3.45Å; G33-N37 WeakPolarHBondContact CA-O 3.04Å; G33-L58 WeakPolarHBondContact O-CA 3.5Å; G33-Y59 PolarHBondContact N-O 2.86Å; G33-Y59 PolarHBondContact O-N 3.42Å
34I98.2Very high94.9Very high0 Ų048.9 Ų48.90%026%0.257CS..EExtended strand (participates in β ladder)trans-133.2124.6168.2-175.6168.9000107.5C36 N37 W39 V48 I51 H56 F57 L58 Y125I34-C36 PolarHBondContact O-N 3.45Å; I34-N37 PolarHBondContact N-O 2.87Å; I34-N37 PolarHBondContact O-N 3.41Å; I34-W39 HydrophobicContact CG2-CH2 4.38Å; I34-W39 HydrophobicContact CG2-CZ3 4.05Å; I34-V48 HydrophobicContact CG2-CG2 4.41Å; I34-I51 HydrophobicContact CD1-CD1 4Å; I34-I51 HydrophobicContact CD1-CG1 4.3Å; I34-I51 HydrophobicContact CD1-CG2 4.26Å; I34-H56 HydrophobicContact CD1-CB 4.38Å; I34-H56 HydrophobicContact CG1-CB 4.47Å; I34-F57 WeakPolarHBondContact CA-O 3.25Å; I34-L58 HydrophobicContact CB-CG 4.47Å; I34-L58 HydrophobicContact CD1-CD1 4.19Å; I34-L58 HydrophobicContact CD1-CG 4.32Å; I34-L58 HydrophobicContact CG1-CD1 4.26Å; I34-L58 HydrophobicContact CG1-CG 4.24Å; I34-Y125 HydrophobicContact CD1-CD2 4.05Å; I34-Y125 HydrophobicContact CD1-CE2 4.07Å; I34-Y125 HydrophobicContact CG1-CE2 4.19Å; I34-Y125 HydrophobicContact CG2-CD2 4.44Å
35D98Very high94.9Very high0 Ų050 Ų500%026%0.261CS..THydrogen-bonded Turntrans51-124.8-176.5-51.5-21.7000111N37 H56 F57 Y59 Y125 W133 L264D35-N37 VanDerWaalsContact C-N 3.26Å; D35-N37 PolarHBondContact O-N 3.02Å; D35-H56 WeakPolarHBondContact OD1-CA 3.26Å; D35-H56 IonicContact OD1-CG 2.84Å; D35-H56 IonicContact OD1-ND1 3.15Å; D35-H56 PolarHBondContact OD1-ND1 3.26Å; D35-H56 IonicContact OD2-CE1 3.74Å; D35-H56 PolarHBondContact OD2-CE1 3.18Å; D35-H56 IonicContact OD2-CG 2.75Å; D35-H56 IonicContact OD2-ND1 2.77Å; D35-H56 PolarHBondContact OD2-ND1 3.17Å; D35-F57 PolarHBondContact N-O 3.38Å; D35-F57 PolarHBondContact OD1-N 3.27Å; D35-Y59 WeakPolarHBondContact O-CE1 3.39Å; D35-Y59 PolarHBondContact O-OH 2.81Å; D35-Y125 WeakPolarHBondContact OD2-CE2 3.47Å; D35-Y125 VanDerWaalsContact OD2-CZ 3.25Å; D35-Y125 PolarHBondContact OD2-OH 2.77Å; D35-W133 HydrophobicContact CB-CB 4.28Å; D35-W133 HydrophobicContact CB-CD2 3.54Å; D35-W133 HydrophobicContact CB-CE3 3.57Å; D35-W133 HydrophobicContact CB-CG 3.86Å; D35-W133 HydrophobicContact CB-CZ3 4.1Å; D35-W133 VanDerWaalsContact CG-CD2 3.42Å; D35-W133 VanDerWaalsContact CG-CE2 3.41Å; D35-W133 VanDerWaalsContact OD1-CE2 3.25Å; D35-W133 VanDerWaalsContact OD1-CZ2 3.29Å; D35-W133 WeakPolarHBondContact OD1-CZ2 3.03Å; D35-L264 VanDerWaalsContact O-CD1 3.29Å; D35-L264 WeakPolarHBondContact O-CD1 3.21Å
36C95.8Very high95Very high22 Ų2249.6 Ų49.615%0.14925%0.251CS..THydrogen-bonded Turntrans-83.612.3-173.3-51.60000115I34 K132I34-C36 PolarHBondContact O-N 3.45Å; C36-K132 HydrophobicContact CB-CD 4.2Å; C36-K132 WeakPolarHBondContact SG-CE 3.3Å
37N96.5Very high95.1Very high34 Ų3448.9 Ų48.918%0.18225%0.248CC..EExtended strand (participates in β ladder)trans-133.3142-176.7-54.9-102.5000111.3G33 I34 D35 W39 Y59 P126 T129G33-N37 CarbonylContact C-O 3.45Å; G33-N37 WeakPolarHBondContact CA-O 3.04Å; I34-N37 PolarHBondContact N-O 2.87Å; I34-N37 PolarHBondContact O-N 3.41Å; D35-N37 VanDerWaalsContact C-N 3.26Å; D35-N37 PolarHBondContact O-N 3.02Å; N37-W39 HydrophobicContact CB-CH2 3.44Å; N37-W39 VanDerWaalsContact CB-CH2 3.44Å; N37-W39 HydrophobicContact CB-CZ2 3.54Å; N37-W39 HydrophobicContact CB-CZ3 4.07Å; N37-Y59 PolarHBondContact O-OH 2.86Å; N37-P126 HydrophobicContact CB-CB 4.49Å; N37-P126 HydrophobicContact CB-CG 3.95Å; N37-P126 VanDerWaalsContact CG-CG 3.48Å; N37-P126 WeakPolarHBondContact ND2-CG 3.35Å; N37-T129 PolarHBondContact ND2-OG1 3.08Å
38S95.6Very high95.3Very high49 Ų4947.2 Ų47.234%0.34324%0.237SC..EExtended strand (participates in β ladder)trans-134155.9170.368.30000111.9E31 F32E31-S38 WeakPolarHBondContact OE1-CB 3.46Å; E31-S38 PolarHBondContact OE1-OG 3.14Å; F32-S38 CarbonylContact O-C 3.44Å; F32-S38 VanDerWaalsContact O-CA 3.25Å; F32-S38 WeakPolarHBondContact O-CA 3.21Å
39W95.3Very high95.5Very high114 Ų11441.5 Ų41.543%0.43221%0.212SC..EExtended strand (participates in β ladder)trans-145.8163178-53-86.8000110.4F32 I34 N37 P126F32-W39 PolarHBondContact N-O 2.97Å; F32-W39 PolarHBondContact O-N 2.59Å; I34-W39 HydrophobicContact CG2-CH2 4.38Å; I34-W39 HydrophobicContact CG2-CZ3 4.05Å; N37-W39 HydrophobicContact CB-CH2 3.44Å; N37-W39 VanDerWaalsContact CB-CH2 3.44Å; N37-W39 HydrophobicContact CB-CZ2 3.54Å; N37-W39 HydrophobicContact CB-CZ3 4.07Å; W39-P126 HydrophobicContact CH2-CB 4.28Å; W39-P126 HydrophobicContact CH2-CG 3.78Å; W39-P126 HydrophobicContact CZ2-CB 4.24Å; W39-P126 HydrophobicContact CZ2-CG 4.22Å
40E95Very high95.7Very high143 Ų14341.5 Ų41.567%0.66821%0.208SC*.EExtended strand (participates in β ladder)trans-79.8130.5167.1-169.7-172.6122.900110.3G42E40-G42 PolarHBondContact O-N 3.33Å
41V94.9Very high95.9Very high3 Ų341.5 Ų41.52%0.01821%0.208CC..PPolyproline II helixtrans-67117.6178.6170.10000110.6M26 P27 K28 G29 T30 F32 F45M26-V41 HydrophobicContact CG-CG1 4.27Å; M26-V41 HydrophobicContact CG-CG2 4.09Å; M26-V41 HydrophobicContact SD-CG2 3.67Å; P27-V41 WeakPolarHBondContact O-CG1 3.47Å; K28-V41 WeakPolarHBondContact CA-O 3.47Å; K28-V41 WeakPolarHBondContact CG-O 3.48Å; G29-V41 PolarHBondContact N-O 2.83Å; T30-V41 WeakPolarHBondContact O-CB 3.27Å; T30-V41 WeakPolarHBondContact O-CG2 3.04Å; T30-V41 PolarHBondContact O-N 2.93Å; F32-V41 HydrophobicContact CB-CG2 3.57Å; V41-F45 HydrophobicContact CB-CD1 4.42Å; V41-F45 HydrophobicContact CG1-CB 4.14Å; V41-F45 HydrophobicContact CG1-CD1 3.9Å; V41-F45 HydrophobicContact CG1-CG 4.42Å; V41-F45 HydrophobicContact CG2-CD1 3.93Å; V41-F45 HydrophobicContact CG2-CE1 4.18Å
42G93.4Very high96Very high28 Ų2840.4 Ų40.429%0.28921%0.205SC..PPolyproline II helixtrans-82.3170.4174.800000113.8E40 K44 F45E40-G42 PolarHBondContact O-N 3.33Å; G42-K44 PolarHBondContact O-N 3.49Å; G42-K44 VanDerWaalsContact O-N 3.08Å; G42-F45 PolarHBondContact O-N 2.89Å
43P91.4Very high95.9Very high114 Ų11444 Ų4474%0.7423%0.229SC*.THydrogen-bonded Turntrans-65-18.8-174.126.9-36.1000114.9K28K28-P43 HydrophobicContact CD-CB 4.39Å
44K93Very high95.9Very high134 Ų13445.4 Ų45.458%0.58324%0.242SC*.THydrogen-bonded Turntrans-107-9.1-178.5-74.5-170.7-178.9-173.90112.9G42 R46 F121G42-K44 PolarHBondContact O-N 3.49Å; G42-K44 VanDerWaalsContact O-N 3.08Å; K44-R46 PolarHBondContact O-N 3.26Å; K44-F121 HydrophobicContact CB-CD1 3.98Å; K44-F121 HydrophobicContact CB-CE1 4.45Å; K44-F121 HydrophobicContact CD-CE1 4.41Å; K44-F121 HydrophobicContact CG-CD1 4.4Å; K44-F121 HydrophobicContact CG-CE1 4.38Å; K44-F121 VanDerWaalsContact O-CB 3.31Å; K44-F121 WeakPolarHBondContact O-CB 3.23Å; K44-F121 VanDerWaalsContact O-CD1 3.27Å; K44-F121 WeakPolarHBondContact O-CD1 3.44Å
45F94.8Very high95.9Very high47 Ų4746.1 Ų46.121%0.20625%0.246CC..  trans-67.8131.9-173.5177.1-97.1000110.5M26 F32 V41 G42 G47 V48M26-F45 HydrophobicContact SD-CE1 4.44Å; F32-F45 AromaticContact CD1-CE1 3.96Å; F32-F45 HydrophobicContact CD1-CE1 3.96Å; F32-F45 AromaticContact CD1-CZ 3.61Å; F32-F45 HydrophobicContact CD1-CZ 3.61Å; F32-F45 HydrophobicContact CE1-CE1 4.36Å; F32-F45 AromaticContact CE1-CZ 3.77Å; F32-F45 HydrophobicContact CE1-CZ 3.77Å; F32-F45 HydrophobicContact CG-CE1 4.16Å; F32-F45 HydrophobicContact CG-CZ 4.27Å; V41-F45 HydrophobicContact CB-CD1 4.42Å; V41-F45 HydrophobicContact CG1-CB 4.14Å; V41-F45 HydrophobicContact CG1-CD1 3.9Å; V41-F45 HydrophobicContact CG1-CG 4.42Å; V41-F45 HydrophobicContact CG2-CD1 3.93Å; V41-F45 HydrophobicContact CG2-CE1 4.18Å; G42-F45 PolarHBondContact O-N 2.89Å; F45-G47 WeakPolarHBondContact CE2-O 3.47Å; F45-V48 HydrophobicContact CE2-CG2 4.36Å; F45-V48 HydrophobicContact CZ-CG2 4.15Å
46R95.1Very high95.9Very high103 Ų10346.3 Ų46.339%0.38925%0.247SC..  trans-133.310.3177.8-64.5-175.2-175.4-169.21.1113V22 I23 K44 F121V22-R46 CarbonylContact C-O 3.53Å; V22-R46 VanDerWaalsContact CA-O 3.27Å; V22-R46 WeakPolarHBondContact CA-O 3.15Å; V22-R46 WeakPolarHBondContact CG1-O 3.3Å; I23-R46 PolarHBondContact N-O 3.08Å; K44-R46 PolarHBondContact O-N 3.26Å; R46-F121 HydrophobicContact CB-CB 3.96Å; R46-F121 HydrophobicContact CG-CB 3.91Å; R46-F121 HydrophobicContact CG-CG 4.47Å; R46-F121 PolarHBondContact N-O 2.97Å
47G96.1Very high96Very high0 Ų045.3 Ų45.30%024%0.24CC..EExtended strand (participates in β ladder)trans136.8-164177.600000114.7V21 F45 L122 G123V21-G47 CarbonylContact O-C 3.55Å; V21-G47 WeakPolarHBondContact O-CA 3.11Å; F45-G47 WeakPolarHBondContact CE2-O 3.47Å; G47-L122 WeakPolarHBondContact O-CA 3.41Å; G47-G123 PolarHBondContact O-N 3.12Å
48V97.6Very high96.1Very high3 Ų343.7 Ų43.72%0.01823%0.232CC..EExtended strand (participates in β ladder)trans-126.5136.3-171.1-174.90000110.5T20 V21 F32 I34 F45 I51 G123T20-V48 WeakPolarHBondContact CA-O 3.48Å; V21-V48 PolarHBondContact N-O 3.46Å; V21-V48 PolarHBondContact O-N 3.15Å; F32-V48 HydrophobicContact CE1-CG2 3.63Å; F32-V48 HydrophobicContact CZ-CG2 4.2Å; I34-V48 HydrophobicContact CG2-CG2 4.41Å; F45-V48 HydrophobicContact CE2-CG2 4.36Å; F45-V48 HydrophobicContact CZ-CG2 4.15Å; V48-I51 HydrophobicContact CB-CD1 4.07Å; V48-I51 HydrophobicContact CB-CG1 4.33Å; V48-I51 HydrophobicContact CG1-CD1 4.1Å; V48-I51 HydrophobicContact CG1-CG1 3.81Å; V48-G123 CarbonylContact C-O 3.48Å; V48-G123 VanDerWaalsContact CA-O 3.26Å; V48-G123 WeakPolarHBondContact CA-O 3.36Å; V48-G123 WeakPolarHBondContact CG1-O 3.38Å
49K96.8Very high96.2Very high19 Ų1941.7 Ų41.78%0.08322%0.217CC..EExtended strand (participates in β ladder)trans-114.5170.3177.561.9-177.8175.4-162.30111F15 T20 I51 D119 L122 G123 Y125F15-K49 HydrophobicContact CD2-CD 3.87Å; F15-K49 HydrophobicContact CE2-CD 4.04Å; T20-K49 HydrophobicContact CG2-CB 4.44Å; K49-I51 PolarHBondContact O-N 3.32Å; K49-D119 WeakPolarHBondContact CD-OD1 3.47Å; K49-D119 WeakPolarHBondContact CE-OD1 3.42Å; K49-D119 PolarHBondContact NZ-O 2.83Å; K49-D119 IonicContact NZ-OD1 3.14Å; K49-D119 PolarHBondContact NZ-OD1 2.89Å; K49-D119 IonicContact NZ-OD2 3.82Å; K49-D119 PolarHBondContact NZ-OD2 2.78Å; K49-D119 VanDerWaalsContact NZ-OD2 3.14Å; K49-L122 HydrophobicContact CB-CB 4.03Å; K49-L122 HydrophobicContact CB-CD1 4.2Å; K49-L122 HydrophobicContact CD-CB 3.82Å; K49-L122 WeakPolarHBondContact CE-O 3.43Å; K49-L122 HydrophobicContact CG-CB 3.94Å; K49-L122 PolarHBondContact NZ-O 2.83Å; K49-G123 WeakPolarHBondContact CG-O 3.26Å; K49-G123 PolarHBondContact N-O 3.25Å; K49-Y125 PolarHBondContact O-N 2.74Å
50M97.3Very high96.3Very high14 Ų1436.3 Ų36.37%0.06920%0.196CC..EExtended strand (participates in β ladder)trans61.732.1176.8-53.2165.5-17600112A11 L14 F15 A19 P124 Y125 Y127A11-M50 HydrophobicContact CB-CE 4.32Å; A11-M50 WeakPolarHBondContact O-CE 3.45Å; L14-M50 HydrophobicContact CB-CB 4.01Å; L14-M50 HydrophobicContact CB-CG 3.96Å; L14-M50 HydrophobicContact CB-SD 4.49Å; F15-M50 HydrophobicContact CB-CE 3.98Å; F15-M50 HydrophobicContact CD2-CE 4.41Å; A19-M50 PolarHBondContact O-N 2.82Å; M50-P124 HydrophobicContact SD-CB 3.94Å; M50-Y125 WeakPolarHBondContact O-CB 3.25Å; M50-Y127 HydrophobicContact CB-CE2 4.24Å; M50-Y127 VanDerWaalsContact O-CE2 3.23Å; M50-Y127 WeakPolarHBondContact O-CE2 3.38Å; M50-Y127 PolarHBondContact O-OH 3.03Å
51I98.1Very high96.3Very high0 Ų029.7 Ų29.70%017%0.166CC..EExtended strand (participates in β ladder)trans-78.7126.8-179.2-51.8165.9000107.6G18 A19 V21 I34 V48 K49 H56 L81 Y125G18-I51 CarbonylContact C-O 3.52Å; G18-I51 WeakPolarHBondContact CA-O 3.31Å; A19-I51 HydrophobicContact CB-CB 4.21Å; A19-I51 PolarHBondContact N-O 2.9Å; A19-I51 PolarHBondContact O-N 2.78Å; V21-I51 HydrophobicContact CB-CD1 4.1Å; V21-I51 HydrophobicContact CG2-CD1 3.68Å; I34-I51 HydrophobicContact CD1-CD1 4Å; I34-I51 HydrophobicContact CD1-CG1 4.3Å; I34-I51 HydrophobicContact CD1-CG2 4.26Å; V48-I51 HydrophobicContact CB-CD1 4.07Å; V48-I51 HydrophobicContact CB-CG1 4.33Å; V48-I51 HydrophobicContact CG1-CD1 4.1Å; V48-I51 HydrophobicContact CG1-CG1 3.81Å; K49-I51 PolarHBondContact O-N 3.32Å; I51-H56 WeakPolarHBondContact CG2-NE2 3.49Å; I51-L81 HydrophobicContact CB-CD1 4.17Å; I51-L81 HydrophobicContact CD1-CD1 3.9Å; I51-L81 HydrophobicContact CG2-CD1 3.61Å; I51-Y125 HydrophobicContact CB-CD2 4.35Å; I51-Y125 HydrophobicContact CG1-CD2 4.15Å; I51-Y125 HydrophobicContact CG2-CD2 3.96Å; I51-Y125 HydrophobicContact CG2-CE2 4.26Å
52P97.4Very high96.3Very high19 Ų1930.3 Ų30.312%0.12317%0.17CC..PPolyproline II helixtrans-62.5155.1176.425.2-31.6000111H56 Y125 L130P52-H56 PolarHBondContact O-NE2 2.97Å; P52-Y125 HydrophobicContact CG-CD1 4.44Å; P52-Y125 HydrophobicContact CG-CE1 4.17Å; P52-L130 HydrophobicContact CG-CD1 3.69Å; P52-L130 HydrophobicContact CG-CD2 4.19Å
53P96.8Very high96.1Very high79 Ų7929.8 Ų29.851%0.51316%0.161SC..SBendtrans-64.8143.1173.7-19.932.6000111.7L81 Q83P53-L81 CarbonylContact C-O 3.52Å; P53-L81 VanDerWaalsContact CA-O 3.26Å; P53-L81 WeakPolarHBondContact CA-O 3.19Å; P53-Q83 HydrophobicContact CG-CB 3.95Å; P53-Q83 HydrophobicContact CG-CG 4.45Å
54G96.4Very high95.8Very high28 Ų2827.4 Ų27.429%0.28914%0.142SC..EExtended strand (participates in β ladder)trans136.9-166.317800000113.5H56 L81G54-H56 PolarHBondContact O-CD2 3.17Å; G54-L81 PolarHBondContact N-O 2.86Å; G54-L81 PolarHBondContact O-N 3.42Å
55I97.8Very high95.1Very high16 Ų1629 Ų298%0.08215%0.149CC..EExtended strand (participates in β ladder)trans-81.6130.4176.7-58.1-55.7000109.7F78 L79 W133 I140 E142 V145I55-F78 HydrophobicContact CG2-CB 4.29Å; I55-F78 HydrophobicContact CG2-CD1 3.64Å; I55-F78 HydrophobicContact CG2-CE1 4.45Å; I55-F78 HydrophobicContact CG2-CG 4.44Å; I55-L79 WeakPolarHBondContact CA-O 3.41Å; I55-W133 WeakPolarHBondContact O-CZ2 3.4Å; I55-W133 PolarHBondContact O-NE1 3.39Å; I55-I140 HydrophobicContact CG1-CG2 4.47Å; I55-I140 HydrophobicContact CG2-CG2 4.15Å; I55-E142 HydrophobicContact CD1-CG 3.91Å; I55-V145 HydrophobicContact CD1-CG2 4.07Å; I55-V145 HydrophobicContact CG1-CG2 4.35Å; I55-V145 HydrophobicContact CG2-CG2 3.91Å
56H98.3Very high94.4Very high4 Ų431 Ų312%0.01918%0.175CC..EExtended strand (participates in β ladder)trans-129.7142.6175.9-71.4-77.5000110.2I34 D35 I51 P52 G54 L58 F78 L79 L81 Y125 W133I34-H56 HydrophobicContact CD1-CB 4.38Å; I34-H56 HydrophobicContact CG1-CB 4.47Å; D35-H56 WeakPolarHBondContact OD1-CA 3.26Å; D35-H56 IonicContact OD1-CG 2.84Å; D35-H56 IonicContact OD1-ND1 3.15Å; D35-H56 PolarHBondContact OD1-ND1 3.26Å; D35-H56 IonicContact OD2-CE1 3.74Å; D35-H56 PolarHBondContact OD2-CE1 3.18Å; D35-H56 IonicContact OD2-CG 2.75Å; D35-H56 IonicContact OD2-ND1 2.77Å; D35-H56 PolarHBondContact OD2-ND1 3.17Å; I51-H56 WeakPolarHBondContact CG2-NE2 3.49Å; P52-H56 PolarHBondContact O-NE2 2.97Å; G54-H56 PolarHBondContact O-CD2 3.17Å; H56-L58 HydrophobicContact CB-CD1 4.15Å; H56-F78 CarbonylContact O-C 3.56Å; H56-F78 WeakPolarHBondContact O-CA 3.47Å; H56-L79 PolarHBondContact N-O 3.08Å; H56-L79 PolarHBondContact O-N 2.78Å; H56-L81 HydrophobicContact CB-CD1 4.32Å; H56-Y125 AromaticContact CE1-CE2 3.9Å; H56-Y125 AromaticContact ND1-CE2 3.87Å; H56-W133 AromaticContact CE1-NE1 3.97Å; H56-W133 AromaticContact ND1-NE1 3.76Å
57F98.4Very high93.8Very high0 Ų028.8 Ų28.80%017%0.171CC..EExtended strand (participates in β ladder)trans-106.4114.1175.1-176.9-117.8000109.4I34 D35 Y59 F78 W133 I155 V260 L264I34-F57 WeakPolarHBondContact CA-O 3.25Å; D35-F57 PolarHBondContact N-O 3.38Å; D35-F57 PolarHBondContact OD1-N 3.27Å; F57-Y59 AromaticContact CD1-CD1 3.6Å; F57-Y59 HydrophobicContact CD1-CD1 3.6Å; F57-Y59 HydrophobicContact CD1-CE1 4.26Å; F57-Y59 HydrophobicContact CD1-CG 4.43Å; F57-Y59 AromaticContact CE1-CD1 3.7Å; F57-Y59 HydrophobicContact CE1-CD1 3.7Å; F57-Y59 HydrophobicContact CE1-CG 4.1Å; F57-F78 HydrophobicContact CB-CD1 3.86Å; F57-F78 HydrophobicContact CB-CE1 3.85Å; F57-F78 HydrophobicContact CB-CG 4.41Å; F57-F78 HydrophobicContact CB-CZ 4.37Å; F57-F78 HydrophobicContact CD2-CD1 4.01Å; F57-F78 AromaticContact CD2-CD2 3.55Å; F57-F78 HydrophobicContact CD2-CD2 3.55Å; F57-F78 HydrophobicContact CD2-CE1 4Å; F57-F78 AromaticContact CD2-CE2 3.51Å; F57-F78 HydrophobicContact CD2-CE2 3.51Å; F57-F78 AromaticContact CD2-CG 3.81Å; F57-F78 HydrophobicContact CD2-CG 3.81Å; F57-F78 AromaticContact CD2-CZ 3.76Å; F57-F78 HydrophobicContact CD2-CZ 3.76Å; F57-F78 HydrophobicContact CE2-CD2 4.02Å; F57-F78 AromaticContact CE2-CE2 3.82Å; F57-F78 HydrophobicContact CE2-CE2 3.82Å; F57-F78 HydrophobicContact CE2-CZ 4.34Å; F57-F78 HydrophobicContact CG-CD1 4.36Å; F57-F78 HydrophobicContact CG-CE1 4.18Å; F57-F78 HydrophobicContact CG-CE2 4.39Å; F57-F78 HydrophobicContact CG-CZ 4.2Å; F57-W133 HydrophobicContact CB-CH2 3.57Å; F57-W133 HydrophobicContact CB-CZ2 4.28Å; F57-W133 HydrophobicContact CB-CZ3 4.35Å; F57-I155 HydrophobicContact CE2-CD1 4.23Å; F57-V260 HydrophobicContact CB-CG1 4.09Å; F57-V260 HydrophobicContact CD1-CG1 3.98Å; F57-V260 HydrophobicContact CG-CG1 3.99Å; F57-L264 HydrophobicContact CD1-CB 3.85Å; F57-L264 HydrophobicContact CD1-CD1 4.27Å; F57-L264 HydrophobicContact CE1-CB 3.83Å
58L98.4Very high92.8Very high1 Ų133.4 Ų33.41%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-99.4137174.8-72.377.2000108.2V21 I23 F32 G33 I34 H56 G76 F77 L79V21-L58 HydrophobicContact CG1-CD2 3.92Å; I23-L58 HydrophobicContact CD1-CD2 4.47Å; F32-L58 HydrophobicContact CE2-CD2 4.17Å; F32-L58 HydrophobicContact CZ-CD2 3.97Å; F32-L58 HydrophobicContact CZ-CG 4.38Å; G33-L58 WeakPolarHBondContact O-CA 3.5Å; I34-L58 HydrophobicContact CB-CG 4.47Å; I34-L58 HydrophobicContact CD1-CD1 4.19Å; I34-L58 HydrophobicContact CD1-CG 4.32Å; I34-L58 HydrophobicContact CG1-CD1 4.26Å; I34-L58 HydrophobicContact CG1-CG 4.24Å; H56-L58 HydrophobicContact CB-CD1 4.15Å; L58-G76 CarbonylContact O-C 3.48Å; L58-G76 WeakPolarHBondContact O-CA 3.49Å; L58-F77 HydrophobicContact CB-CD2 4.48Å; L58-F77 HydrophobicContact CB-CE1 4.22Å; L58-F77 HydrophobicContact CB-CE2 3.98Å; L58-F77 HydrophobicContact CB-CZ 3.83Å; L58-F77 HydrophobicContact CD2-CE2 4.19Å; L58-F77 HydrophobicContact CD2-CZ 4.09Å; L58-F77 HydrophobicContact CG-CE2 4.48Å; L58-F77 PolarHBondContact N-O 3.18Å; L58-F77 PolarHBondContact O-N 2.86Å; L58-L79 HydrophobicContact CD1-CB 4.49Å; L58-L79 HydrophobicContact CD1-CD1 3.97Å; L58-L79 HydrophobicContact CD1-CG 4.19Å; L58-L79 HydrophobicContact CD2-CD1 4.28Å
59Y98.1Very high91.8Very high6 Ų642.6 Ų42.62%0.02424%0.241CC..EExtended strand (participates in β ladder)trans-143.7158.2178.655.4-83.5000111G33 D35 N37 F57 R74 M75 L264G33-Y59 PolarHBondContact N-O 2.86Å; G33-Y59 PolarHBondContact O-N 3.42Å; D35-Y59 WeakPolarHBondContact O-CE1 3.39Å; D35-Y59 PolarHBondContact O-OH 2.81Å; N37-Y59 PolarHBondContact O-OH 2.86Å; F57-Y59 AromaticContact CD1-CD1 3.6Å; F57-Y59 HydrophobicContact CD1-CD1 3.6Å; F57-Y59 HydrophobicContact CD1-CE1 4.26Å; F57-Y59 HydrophobicContact CD1-CG 4.43Å; F57-Y59 AromaticContact CE1-CD1 3.7Å; F57-Y59 HydrophobicContact CE1-CD1 3.7Å; F57-Y59 HydrophobicContact CE1-CG 4.1Å; Y59-R74 HydrophobicContact CD2-CG 4.42Å; Y59-M75 CarbonylContact C-O 3.55Å; Y59-M75 WeakPolarHBondContact CA-O 3.48Å; Y59-M75 WeakPolarHBondContact CB-O 3.5Å; Y59-L264 HydrophobicContact CE1-CB 4.3Å
60Y97.3Very high91.1Very high1 Ų147 Ų470%0.00426%0.262CS..EExtended strand (participates in β ladder)trans-153.6154.6-179.558.4-84.8000111.3M26 E31 M75 F77 W91 E97 V98 Q154M26-Y60 HydrophobicContact CE-CG 4.45Å; E31-Y60 CarbonylContact O-C 3.42Å; E31-Y60 WeakPolarHBondContact O-CA 2.9Å; E31-Y60 VanDerWaalsContact O-CB 3.26Å; E31-Y60 WeakPolarHBondContact O-CB 3.48Å; Y60-M75 HydrophobicContact CD1-CB 4.28Å; Y60-M75 HydrophobicContact CD2-CB 4.06Å; Y60-M75 HydrophobicContact CE1-CB 3.74Å; Y60-M75 HydrophobicContact CE2-CB 3.54Å; Y60-M75 HydrophobicContact CE2-CG 3.9Å; Y60-M75 HydrophobicContact CG-CB 4.42Å; Y60-M75 PolarHBondContact N-O 2.98Å; Y60-M75 PolarHBondContact O-N 3.5Å; Y60-F77 HydrophobicContact CD1-CE1 4.41Å; Y60-F77 HydrophobicContact CE1-CD1 4.3Å; Y60-F77 AromaticContact CE1-CE1 3.99Å; Y60-F77 HydrophobicContact CE1-CE1 3.99Å; Y60-W91 AromaticContact CD2-CH2 3.82Å; Y60-W91 HydrophobicContact CD2-CH2 3.82Å; Y60-W91 AromaticContact CD2-CZ3 3.48Å; Y60-W91 HydrophobicContact CD2-CZ3 3.48Å; Y60-W91 VanDerWaalsContact CD2-CZ3 3.48Å; Y60-W91 AromaticContact CE2-CH2 3.73Å; Y60-W91 HydrophobicContact CE2-CH2 3.73Å; Y60-W91 AromaticContact CE2-CZ3 3.42Å; Y60-W91 HydrophobicContact CE2-CZ3 3.42Å; Y60-W91 VanDerWaalsContact CE2-CZ3 3.42Å; Y60-W91 HydrophobicContact CG-CZ3 4.3Å; Y60-E97 WeakPolarHBondContact OH-CA 3.4Å; Y60-V98 HydrophobicContact CD1-CG2 3.87Å; Y60-V98 HydrophobicContact CE1-CB 3.95Å; Y60-V98 HydrophobicContact CE1-CG2 3.53Å; Y60-V98 HydrophobicContact CE2-CG2 4.36Å; Y60-V98 HydrophobicContact CG-CG2 4.45Å; Y60-V98 PolarHBondContact OH-N 2.93Å; Y60-Q154 PolarHBondContact OH-OE1 2.99Å
61S95.9Very high90.6Very high4 Ų450.2 Ų50.23%0.02828%0.282CS..EExtended strand (participates in β ladder)trans-126.8111.4173.5-43.20000107E31E31-S61 PolarHBondContact N-O 3.09Å; E31-S61 PolarHBondContact O-N 2.85Å; E31-S61 PolarHBondContact OE2-OG 3.49Å
62S93Very high90.2Very high16 Ų1651.4 Ų51.411%0.11229%0.294CS..EExtended strand (participates in β ladder)trans-59137.9-176.7-172.50000110.5V71 G72S62-V71 CarbonylContact O-C 3.41Å; S62-V71 WeakPolarHBondContact O-CA 3.39Å; S62-G72 PolarHBondContact O-N 3.06Å
63V90.8Very high90Very high17 Ų1754 Ų5410%0.10331%0.311CS..EExtended strand (participates in β ladder)trans-82.2138.7177.4640000111.1P27 K28 K65 P68P27-V63 HydrophobicContact CB-CG1 4.31Å; K28-V63 WeakPolarHBondContact O-CG1 3.45Å; V63-K65 PolarHBondContact O-N 3.4Å; V63-P68 HydrophobicContact CG2-CB 4.49Å
64D85.1Confident89.9Confident64 Ų6451.9 Ų51.934%0.34229%0.293SS..PPolyproline II helixtrans-71.6128.4168.5178.115000110.6A66 N67 E70D64-A66 VanDerWaalsContact C-N 3.26Å; D64-A66 PolarHBondContact O-N 2.81Å; D64-A66 PolarHBondContact OD1-N 3.45Å; D64-N67 CarbonylContact O-C 3.31Å; D64-N67 PolarHBondContact OD2-N 2.81Å; D64-E70 HydrophobicContact CB-CB 4.36Å; D64-E70 PolarHBondContact N-O 3.4Å; D64-E70 VanDerWaalsContact N-O 3.11Å
65K78.3Confident89.9Confident167 Ų16751.4 Ų51.473%0.72628%0.283SS*.SBendtrans-66.7-28.9177-65.4175-173.5156.50112.2V63V63-K65 PolarHBondContact O-N 3.4Å
66A80.2Confident89.9Confident91 Ų9150.6 Ų50.675%0.75228%0.279SS*.SBendtrans-85.3-43-179.300000111.8D64D64-A66 VanDerWaalsContact C-N 3.26Å; D64-A66 PolarHBondContact O-N 2.81Å; D64-A66 PolarHBondContact OD1-N 3.45Å
67N81.1Confident89.8Confident55 Ų5550.5 Ų50.529%0.29428%0.279SS..  trans-123.895.9175.8-170.41000112.1D64 K69 E70D64-N67 CarbonylContact O-C 3.31Å; D64-N67 PolarHBondContact OD2-N 2.81Å; N67-K69 PolarHBondContact O-N 3.44Å; N67-K69 PolarHBondContact OD1-N 3.16Å; N67-E70 HydrophobicContact CB-CB 4.4Å; N67-E70 HydrophobicContact CB-CG 4.41Å; N67-E70 PolarHBondContact ND2-OE1 2.91Å; N67-E70 PolarHBondContact O-N 2.75Å
68P76.3Confident89.8Confident98 Ų9850.9 Ų50.964%0.63628%0.28SS*.THydrogen-bonded Turntrans-62.1-6.9-178.9-24.734.5000115.7V63V63-P68 HydrophobicContact CG2-CB 4.49Å
69K76.9Confident89.7Confident195 Ų19552.2 Ų52.285%0.84829%0.287SS*.THydrogen-bonded Turntrans-87-14.4173.3-66-175.3177-178.20113.1N67N67-K69 PolarHBondContact O-N 3.44Å; N67-K69 PolarHBondContact OD1-N 3.16Å
70E82.3Confident89.7Confident113 Ų11353.9 Ų53.953%0.52830%0.3SS..  trans-99.4134.1178.3-72.3176.9-147.400109.7D64 N67D64-E70 HydrophobicContact CB-CB 4.36Å; D64-E70 PolarHBondContact N-O 3.4Å; D64-E70 VanDerWaalsContact N-O 3.11Å; N67-E70 HydrophobicContact CB-CB 4.4Å; N67-E70 HydrophobicContact CB-CG 4.41Å; N67-E70 PolarHBondContact ND2-OE1 2.91Å; N67-E70 PolarHBondContact O-N 2.75Å
71V86.8Confident89.6Confident80 Ų8054.1 Ų54.149%0.48530%0.301SS..EExtended strand (participates in β ladder)trans-116.5143.7175.4-64.50000109.1S62S62-V71 CarbonylContact O-C 3.41Å; S62-V71 WeakPolarHBondContact O-CA 3.39Å
72G89.6Confident89.6Confident26 Ų2659.4 Ų59.427%0.26833%0.325SS..EExtended strand (participates in β ladder)trans-65.6173.2172.800000112.1S62S62-G72 PolarHBondContact O-N 3.06Å
73P92Very high89.8Confident73 Ų7364.4 Ų64.447%0.47435%0.347SS..EExtended strand (participates in β ladder)trans-56.8144.6175.323.9-32.5000110.9M75 F158P73-M75 PolarHBondContact O-N 3.19Å; P73-F158 HydrophobicContact CB-CD1 3.55Å; P73-F158 HydrophobicContact CB-CE1 3.44Å; P73-F158 VanDerWaalsContact CB-CE1 3.44Å; P73-F158 HydrophobicContact CG-CD1 3.97Å; P73-F158 HydrophobicContact CG-CE1 3.32Å; P73-F158 HydrophobicContact CG-CZ 4.31Å
74R95.1Very high90Very high35 Ų3570.1 Ų70.113%0.13237%0.366CS..EExtended strand (participates in β ladder)trans-71.1129.7-178.6-174.6165.5-71.1-177.4-2.4110.4E31 Y59 A157 L264E31-R74 IonicContact OE1-NH2 2.83Å; E31-R74 PolarHBondContact OE1-NH2 3.05Å; E31-R74 IonicContact OE2-CZ 2.59Å; E31-R74 IonicContact OE2-NE 2.89Å; E31-R74 IonicContact OE2-NH2 3.78Å; E31-R74 PolarHBondContact OE2-NH2 3.42Å; Y59-R74 HydrophobicContact CD2-CG 4.42Å; R74-A157 HydrophobicContact CB-CB 4.24Å; R74-A157 WeakPolarHBondContact O-CB 3.33Å; R74-A157 PolarHBondContact O-N 3.14Å; R74-L264 WeakPolarHBondContact CD-O 3.34Å; R74-L264 PolarHBondContact NH1-O 3.38Å
75M96.3Very high90.5Very high17 Ų1767.9 Ų67.98%0.08436%0.359CS..EExtended strand (participates in β ladder)trans-111.3153.3172-64.7-66.7-62.700108.8Y59 Y60 P73 E97 Q154 I155 C156Y59-M75 CarbonylContact C-O 3.55Å; Y59-M75 WeakPolarHBondContact CA-O 3.48Å; Y59-M75 WeakPolarHBondContact CB-O 3.5Å; Y60-M75 HydrophobicContact CD1-CB 4.28Å; Y60-M75 HydrophobicContact CD2-CB 4.06Å; Y60-M75 HydrophobicContact CE1-CB 3.74Å; Y60-M75 HydrophobicContact CE2-CB 3.54Å; Y60-M75 HydrophobicContact CE2-CG 3.9Å; Y60-M75 HydrophobicContact CG-CB 4.42Å; Y60-M75 PolarHBondContact N-O 2.98Å; Y60-M75 PolarHBondContact O-N 3.5Å; P73-M75 PolarHBondContact O-N 3.19Å; M75-E97 HydrophobicContact CE-CG 4.13Å; M75-Q154 HydrophobicContact CE-CB 3.85Å; M75-Q154 HydrophobicContact CE-CG 4.21Å; M75-I155 CarbonylContact C-O 3.55Å; M75-I155 WeakPolarHBondContact CA-O 3.43Å; M75-C156 HydrophobicContact CE-CB 4.39Å; M75-C156 HydrophobicContact SD-CB 3.68Å
76G97.2Very high91.3Very high0 Ų060.9 Ų60.90%033%0.329CS..EExtended strand (participates in β ladder)trans-165169.5174.400000113.6L58 I155L58-G76 CarbonylContact O-C 3.48Å; L58-G76 WeakPolarHBondContact O-CA 3.49Å; G76-I155 PolarHBondContact N-O 3.4Å; G76-I155 WeakPolarHBondContact O-CA 3.41Å; G76-I155 WeakPolarHBondContact O-CB 3.44Å; G76-I155 PolarHBondContact O-N 3.29Å
77F97.7Very high92.1Very high2 Ų258.4 Ų58.41%0.00931%0.305CS..EExtended strand (participates in β ladder)trans-159.1148.4179.755.8-86.3000108.5L58 Y60 L79 L89 V98 L100 R153L58-F77 HydrophobicContact CB-CD2 4.48Å; L58-F77 HydrophobicContact CB-CE1 4.22Å; L58-F77 HydrophobicContact CB-CE2 3.98Å; L58-F77 HydrophobicContact CB-CZ 3.83Å; L58-F77 HydrophobicContact CD2-CE2 4.19Å; L58-F77 HydrophobicContact CD2-CZ 4.09Å; L58-F77 HydrophobicContact CG-CE2 4.48Å; L58-F77 PolarHBondContact N-O 3.18Å; L58-F77 PolarHBondContact O-N 2.86Å; Y60-F77 HydrophobicContact CD1-CE1 4.41Å; Y60-F77 HydrophobicContact CE1-CD1 4.3Å; Y60-F77 AromaticContact CE1-CE1 3.99Å; Y60-F77 HydrophobicContact CE1-CE1 3.99Å; F77-L79 HydrophobicContact CD2-CD2 3.85Å; F77-L79 HydrophobicContact CD2-CG 3.88Å; F77-L79 HydrophobicContact CE2-CD1 3.89Å; F77-L79 HydrophobicContact CE2-CD2 3.9Å; F77-L79 HydrophobicContact CE2-CG 3.75Å; F77-L89 HydrophobicContact CE2-CD1 3.79Å; F77-L89 HydrophobicContact CZ-CD1 3.64Å; F77-V98 HydrophobicContact CE1-CB 4.15Å; F77-V98 HydrophobicContact CE1-CG1 4.19Å; F77-V98 HydrophobicContact CE1-CG2 4.46Å; F77-V98 HydrophobicContact CZ-CG1 4.22Å; F77-L100 HydrophobicContact CB-CD1 3.86Å; F77-L100 HydrophobicContact CD1-CD1 4.27Å; F77-L100 HydrophobicContact CD1-CD2 3.77Å; F77-L100 HydrophobicContact CD2-CD1 4.46Å; F77-L100 HydrophobicContact CD2-CD2 3.68Å; F77-L100 HydrophobicContact CE1-CD2 3.79Å; F77-L100 HydrophobicContact CE2-CD2 3.69Å; F77-L100 HydrophobicContact CG-CD1 3.96Å; F77-L100 HydrophobicContact CG-CD2 3.72Å; F77-L100 HydrophobicContact CG-CG 4.5Å; F77-L100 HydrophobicContact CZ-CD2 3.75Å; F77-R153 WeakPolarHBondContact CB-O 3.27Å
78F98.1Very high92.8Very high7 Ų756.2 Ų56.23%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-92145.6170.4-53.7-112.7000110.7I55 H56 F57 W133 I140 V145 Q149 I155 F257 V260I55-F78 HydrophobicContact CG2-CB 4.29Å; I55-F78 HydrophobicContact CG2-CD1 3.64Å; I55-F78 HydrophobicContact CG2-CE1 4.45Å; I55-F78 HydrophobicContact CG2-CG 4.44Å; H56-F78 CarbonylContact O-C 3.56Å; H56-F78 WeakPolarHBondContact O-CA 3.47Å; F57-F78 HydrophobicContact CB-CD1 3.86Å; F57-F78 HydrophobicContact CB-CE1 3.85Å; F57-F78 HydrophobicContact CB-CG 4.41Å; F57-F78 HydrophobicContact CB-CZ 4.37Å; F57-F78 HydrophobicContact CD2-CD1 4.01Å; F57-F78 AromaticContact CD2-CD2 3.55Å; F57-F78 HydrophobicContact CD2-CD2 3.55Å; F57-F78 HydrophobicContact CD2-CE1 4Å; F57-F78 AromaticContact CD2-CE2 3.51Å; F57-F78 HydrophobicContact CD2-CE2 3.51Å; F57-F78 AromaticContact CD2-CG 3.81Å; F57-F78 HydrophobicContact CD2-CG 3.81Å; F57-F78 AromaticContact CD2-CZ 3.76Å; F57-F78 HydrophobicContact CD2-CZ 3.76Å; F57-F78 HydrophobicContact CE2-CD2 4.02Å; F57-F78 AromaticContact CE2-CE2 3.82Å; F57-F78 HydrophobicContact CE2-CE2 3.82Å; F57-F78 HydrophobicContact CE2-CZ 4.34Å; F57-F78 HydrophobicContact CG-CD1 4.36Å; F57-F78 HydrophobicContact CG-CE1 4.18Å; F57-F78 HydrophobicContact CG-CE2 4.39Å; F57-F78 HydrophobicContact CG-CZ 4.2Å; F78-W133 HydrophobicContact CE1-CH2 4.46Å; F78-I140 HydrophobicContact CE1-CD1 4.47Å; F78-V145 HydrophobicContact CB-CG1 3.83Å; F78-V145 HydrophobicContact CB-CG2 4.31Å; F78-V145 HydrophobicContact CG-CG1 4.44Å; F78-V145 HydrophobicContact CG-CG2 4.44Å; F78-Q149 HydrophobicContact CD2-CG 4.27Å; F78-Q149 PolarHBondContact O-NE2 2.89Å; F78-Q149 VanDerWaalsContact O-NE2 3.15Å; F78-I155 HydrophobicContact CD2-CD1 3.89Å; F78-I155 HydrophobicContact CE2-CD1 3.66Å; F78-F257 HydrophobicContact CD2-CD2 4.41Å; F78-F257 AromaticContact CD2-CE2 3.61Å; F78-F257 HydrophobicContact CD2-CE2 3.61Å; F78-F257 HydrophobicContact CD2-CZ 4.11Å; F78-F257 HydrophobicContact CE1-CD2 4.34Å; F78-F257 HydrophobicContact CE1-CE2 4.44Å; F78-F257 AromaticContact CE2-CD2 3.81Å; F78-F257 HydrophobicContact CE2-CD2 3.81Å; F78-F257 HydrophobicContact CE2-CE1 4.41Å; F78-F257 AromaticContact CE2-CE2 3.24Å; F78-F257 HydrophobicContact CE2-CE2 3.24Å; F78-F257 AromaticContact CE2-CZ 3.6Å; F78-F257 HydrophobicContact CE2-CZ 3.6Å; F78-F257 HydrophobicContact CG-CE2 4.36Å; F78-F257 AromaticContact CZ-CD2 3.76Å; F78-F257 HydrophobicContact CZ-CD2 3.76Å; F78-F257 AromaticContact CZ-CE2 3.71Å; F78-F257 HydrophobicContact CZ-CE2 3.71Å; F78-F257 HydrophobicContact CZ-CG 4.42Å; F78-F257 HydrophobicContact CZ-CZ 4.32Å; F78-V260 HydrophobicContact CE1-CB 4.43Å; F78-V260 HydrophobicContact CE1-CG1 3.75Å; F78-V260 HydrophobicContact CZ-CB 4.13Å; F78-V260 HydrophobicContact CZ-CG1 3.57Å
79L96.6Very high93.8Very high30 Ų3052.1 Ų52.116%0.15727%0.266CS..EExtended strand (participates in β ladder)trans-119.4143.3168.4-63.8-179.4000109.3V21 I55 H56 L58 F77 L81 T87V21-L79 HydrophobicContact CG1-CD1 4.4Å; V21-L79 HydrophobicContact CG2-CD1 3.97Å; I55-L79 WeakPolarHBondContact CA-O 3.41Å; H56-L79 PolarHBondContact N-O 3.08Å; H56-L79 PolarHBondContact O-N 2.78Å; L58-L79 HydrophobicContact CD1-CB 4.49Å; L58-L79 HydrophobicContact CD1-CD1 3.97Å; L58-L79 HydrophobicContact CD1-CG 4.19Å; L58-L79 HydrophobicContact CD2-CD1 4.28Å; F77-L79 HydrophobicContact CD2-CD2 3.85Å; F77-L79 HydrophobicContact CD2-CG 3.88Å; F77-L79 HydrophobicContact CE2-CD1 3.89Å; F77-L79 HydrophobicContact CE2-CD2 3.9Å; F77-L79 HydrophobicContact CE2-CG 3.75Å; L79-L81 HydrophobicContact CB-CD2 4.01Å; L79-L81 HydrophobicContact CB-CG 4.09Å; L79-L81 HydrophobicContact CD1-CD2 4.13Å; L79-T87 HydrophobicContact CD1-CG2 4.34Å
80S96.6Very high94.7Very high41 Ų4147.2 Ų47.229%0.28724%0.242SC..EExtended strand (participates in β ladder)trans-94.2117.6158.5-168.30000109.7E142S80-E142 WeakPolarHBondContact CB-OE1 3.36Å; S80-E142 VanDerWaalsContact OG-CD 3.22Å; S80-E142 WeakPolarHBondContact OG-CG 3.08Å; S80-E142 PolarHBondContact OG-OE1 3.47Å
81L96.6Very high95.3Very high5 Ų542.4 Ų42.43%0.02622%0.219CC..EExtended strand (participates in β ladder)trans-108.6134.1-176.2-62.4178.4000110.2A19 V21 I51 P53 G54 H56 L79A19-L81 HydrophobicContact CB-CB 3.82Å; A19-L81 HydrophobicContact CB-CD1 4.25Å; A19-L81 HydrophobicContact CB-CG 4.43Å; V21-L81 HydrophobicContact CG2-CD1 3.89Å; V21-L81 HydrophobicContact CG2-CD2 3.97Å; I51-L81 HydrophobicContact CB-CD1 4.17Å; I51-L81 HydrophobicContact CD1-CD1 3.9Å; I51-L81 HydrophobicContact CG2-CD1 3.61Å; P53-L81 CarbonylContact C-O 3.52Å; P53-L81 VanDerWaalsContact CA-O 3.26Å; P53-L81 WeakPolarHBondContact CA-O 3.19Å; G54-L81 PolarHBondContact N-O 2.86Å; G54-L81 PolarHBondContact O-N 3.42Å; H56-L81 HydrophobicContact CB-CD1 4.32Å; L79-L81 HydrophobicContact CB-CD2 4.01Å; L79-L81 HydrophobicContact CB-CG 4.09Å; L79-L81 HydrophobicContact CD1-CD2 4.13Å
82H95.9Very high95.7Very high115 Ų11540 Ų4053%0.53221%0.206SC..  trans-104.4158.9-179.5-63.176.3000110.3A19 R84 G85 E142A19-H82 WeakPolarHBondContact CB-O 3.28Å; H82-R84 PolarHBondContact O-N 3Å; H82-G85 WeakPolarHBondContact O-CA 3.33Å; H82-G85 PolarHBondContact O-N 2.87Å; H82-E142 IonicContact CE1-OE1 3.46Å; H82-E142 IonicContact NE2-OE1 3.95Å
83Q96.4Very high95.8Very high122 Ų12243.9 Ų43.957%0.5723%0.225SC*.THydrogen-bonded Turntrans-53.6131174-164.2-179.6-1.600110.3E17 P53 G85E17-Q83 WeakPolarHBondContact O-CG 3.3Å; E17-Q83 PolarHBondContact OE2-NE2 3.31Å; P53-Q83 HydrophobicContact CG-CB 3.95Å; P53-Q83 HydrophobicContact CG-CG 4.45Å; Q83-G85 PolarHBondContact O-N 3.16Å; Q83-G85 VanDerWaalsContact O-N 3.11Å
84R95.4Very high95.7Very high136 Ų13648 Ų4851%0.51324%0.242SC..THydrogen-bonded Turntrans57.916.7-174.9-35.8-166.9178.9164.6-5.5115.2F16 E17 H82 R112F16-R84 VanDerWaalsContact O-CG 3.31Å; F16-R84 WeakPolarHBondContact O-CG 3.21Å; E17-R84 VanDerWaalsContact CD-NH2 3.31Å; E17-R84 PolarHBondContact O-N 3.47Å; E17-R84 IonicContact OE1-CZ 3.71Å; E17-R84 IonicContact OE1-NE 3.72Å; E17-R84 IonicContact OE1-NH2 3.42Å; E17-R84 PolarHBondContact OE1-NH2 2.85Å; E17-R84 IonicContact OE2-CZ 2.74Å; E17-R84 IonicContact OE2-NE 3.6Å; E17-R84 PolarHBondContact OE2-NE 2.95Å; E17-R84 IonicContact OE2-NH2 3.85Å; E17-R84 PolarHBondContact OE2-NH2 3.41Å; E17-R84 VanDerWaalsContact OE2-NH2 3.16Å; H82-R84 PolarHBondContact O-N 3Å; R84-R112 PolarHBondContact O-NH1 3.2Å
85G94.6Very high95.5Very high18 Ų1853.2 Ų53.219%0.18626%0.261CS..  trans-64.4141175.600000111.3A19 T20 H82 Q83A19-G85 CarbonylContact C-O 3.43Å; A19-G85 VanDerWaalsContact CA-O 3.23Å; A19-G85 WeakPolarHBondContact CA-O 3.44Å; T20-G85 PolarHBondContact N-O 3.16Å; H82-G85 WeakPolarHBondContact O-CA 3.33Å; H82-G85 PolarHBondContact O-N 2.87Å; Q83-G85 PolarHBondContact O-N 3.16Å; Q83-G85 VanDerWaalsContact O-N 3.11Å
86L96.3Very high95.2Very high19 Ų1956.7 Ų56.710%0.09928%0.278CS..EExtended strand (participates in β ladder)trans-124.6117.6172177.262.5000108.1T20 V22 V88 V108 M111 R112T20-L86 HydrophobicContact CG2-CD1 3.93Å; T20-L86 WeakPolarHBondContact O-CA 3.28Å; V22-L86 HydrophobicContact CG2-CD1 3.92Å; L86-V88 HydrophobicContact CD2-CG2 4.47Å; L86-V88 HydrophobicContact CG-CG2 4.18Å; L86-V108 HydrophobicContact CB-CG1 4.49Å; L86-V108 HydrophobicContact CD2-CG1 4.18Å; L86-V108 WeakPolarHBondContact CD2-O 3.27Å; L86-V108 HydrophobicContact CG-CG1 4.35Å; L86-M111 HydrophobicContact CD2-CB 4.02Å; L86-R112 HydrophobicContact CD2-CB 3.82Å
87T96.5Very high95.1Very high40 Ų4058.8 Ų58.825%0.24529%0.288CS..EExtended strand (participates in β ladder)trans-110.9124.6175.1-53.80000108.5T20 V21 V22 L79 L89T20-T87 PolarHBondContact O-N 3.35Å; V21-T87 CarbonylContact C-O 3.51Å; V21-T87 WeakPolarHBondContact CA-O 3.34Å; V22-T87 PolarHBondContact N-O 3.29Å; L79-T87 HydrophobicContact CD1-CG2 4.34Å; T87-L89 HydrophobicContact CG2-CD1 4.47Å; T87-L89 HydrophobicContact CG2-CD2 3.98Å; T87-L89 HydrophobicContact CG2-CG 4.02Å
88V96.8Very high95Very high8 Ų858.8 Ų58.85%0.04829%0.287CS..EExtended strand (participates in β ladder)trans-111.5120177.7-177.30000108.2L86 A103 V108 M111L86-V88 HydrophobicContact CD2-CG2 4.47Å; L86-V88 HydrophobicContact CG-CG2 4.18Å; V88-A103 HydrophobicContact CB-CB 3.9Å; V88-A103 HydrophobicContact CG1-CB 4.19Å; V88-A103 WeakPolarHBondContact O-CB 3.15Å; V88-V108 HydrophobicContact CB-CG2 4.38Å; V88-V108 HydrophobicContact CG2-CG2 4.12Å; V88-M111 HydrophobicContact CB-SD 4.23Å; V88-M111 HydrophobicContact CG1-CE 3.54Å; V88-M111 HydrophobicContact CG1-SD 3.62Å; V88-M111 HydrophobicContact CG2-CB 4.48Å; V88-M111 HydrophobicContact CG2-CE 4.47Å; V88-M111 HydrophobicContact CG2-CG 4.49Å; V88-M111 HydrophobicContact CG2-SD 3.5Å; V88-M111 VanDerWaalsContact CG2-SD 3.5Å
89L96.4Very high94.8Very high12 Ų1261.8 Ų61.86%0.06330%0.304CS..EExtended strand (participates in β ladder)trans-121.7166179.2-56.5175.9000109.6V21 V22 I23 L24 F77 T87 V98 L100V21-L89 HydrophobicContact CG1-CD1 4.19Å; V22-L89 PolarHBondContact O-N 3.15Å; I23-L89 WeakPolarHBondContact CA-O 3.5Å; I23-L89 HydrophobicContact CG1-CB 4.29Å; I23-L89 HydrophobicContact CG1-CD1 4.43Å; I23-L89 HydrophobicContact CG2-CB 4.45Å; L24-L89 PolarHBondContact N-O 2.64Å; F77-L89 HydrophobicContact CE2-CD1 3.79Å; F77-L89 HydrophobicContact CZ-CD1 3.64Å; T87-L89 HydrophobicContact CG2-CD1 4.47Å; T87-L89 HydrophobicContact CG2-CD2 3.98Å; T87-L89 HydrophobicContact CG2-CG 4.02Å; L89-V98 HydrophobicContact CB-CG1 3.81Å; L89-V98 HydrophobicContact CD1-CG1 3.94Å; L89-V98 HydrophobicContact CG-CG1 4.41Å; L89-L100 HydrophobicContact CD1-CD2 4.33Å; L89-L100 HydrophobicContact CD2-CD2 4.41Å
90R95.4Very high94.7Very high93 Ų9362 Ų6235%0.35131%0.305SS..EExtended strand (participates in β ladder)trans-137.8140.7-178.9-168.5-178.5-55.6-75.9-4111.1L24 D99 E107L24-R90 HydrophobicContact CB-CG 4.32Å; L24-R90 VanDerWaalsContact CD1-NH1 3.27Å; R90-D99 WeakPolarHBondContact O-CB 2.97Å; R90-D99 PolarHBondContact O-N 3.25Å; R90-E107 IonicContact CZ-OE1 3.78Å; R90-E107 IonicContact NH2-OE1 2.78Å; R90-E107 PolarHBondContact NH2-OE1 2.82Å; R90-E107 IonicContact NH2-OE2 3.91Å; R90-E107 PolarHBondContact NH2-OE2 3.12Å; R90-E107 VanDerWaalsContact NH2-OE2 3.16Å
91W95.4Very high94.4Very high11 Ų1163 Ų634%0.04231%0.312CS..EExtended strand (participates in β ladder)trans-74.3127.7168.2-174.6-96.8000111.2L24 N25 M26 P27 Y60 E96 V98L24-W91 WeakPolarHBondContact O-CB 3.06Å; L24-W91 PolarHBondContact O-N 3.25Å; N25-W91 HydrophobicContact CB-CB 4.34Å; N25-W91 VanDerWaalsContact O-CB 3.28Å; N25-W91 WeakPolarHBondContact O-CB 3.32Å; M26-W91 HydrophobicContact CE-CE3 4.1Å; M26-W91 HydrophobicContact CE-CZ3 4.23Å; M26-W91 HydrophobicContact CG-CE3 4.43Å; P27-W91 HydrophobicContact CG-CD2 4.25Å; P27-W91 HydrophobicContact CG-CG 4.39Å; P27-W91 HydrophobicContact CG-CZ2 4.1Å; Y60-W91 AromaticContact CD2-CH2 3.82Å; Y60-W91 HydrophobicContact CD2-CH2 3.82Å; Y60-W91 AromaticContact CD2-CZ3 3.48Å; Y60-W91 HydrophobicContact CD2-CZ3 3.48Å; Y60-W91 VanDerWaalsContact CD2-CZ3 3.48Å; Y60-W91 AromaticContact CE2-CH2 3.73Å; Y60-W91 HydrophobicContact CE2-CH2 3.73Å; Y60-W91 AromaticContact CE2-CZ3 3.42Å; Y60-W91 HydrophobicContact CE2-CZ3 3.42Å; Y60-W91 VanDerWaalsContact CE2-CZ3 3.42Å; Y60-W91 HydrophobicContact CG-CZ3 4.3Å; W91-E96 VanDerWaalsContact CH2-C 3.47Å; W91-E96 WeakPolarHBondContact CH2-O 3.43Å; W91-E96 HydrophobicContact CZ2-CB 4.01Å; W91-E96 VanDerWaalsContact CZ2-O 3.3Å; W91-E96 WeakPolarHBondContact CZ2-O 3.16Å; W91-V98 HydrophobicContact CE3-CG2 3.86Å; W91-V98 HydrophobicContact CZ3-CG2 4.09Å
92S94.5Very high93.9Very high31 Ų3168.8 Ų68.822%0.21735%0.35CS..EExtended strand (participates in β ladder)trans-90.9110169.8-179.70000109.8L94 R95 E96 E97S92-L94 PolarHBondContact O-N 3.34Å; S92-R95 PolarHBondContact O-N 3.48Å; S92-R95 PolarHBondContact OG-N 2.8Å; S92-E96 WeakPolarHBondContact O-CA 3.29Å; S92-E96 PolarHBondContact O-N 3.43Å; S92-E97 WeakPolarHBondContact CB-O 3.26Å; S92-E97 PolarHBondContact N-O 2.9Å; S92-E97 PolarHBondContact O-N 3.21Å
93T91.3Very high93.7Very high107 Ų10764.6 Ų64.666%0.65634%0.335SS*.THydrogen-bonded Turntrans-67-22.5176.852.60000113.4
94L91.4Very high93.5Very high158 Ų15862.4 Ų62.483%0.82733%0.331SS*.THydrogen-bonded Turntrans-76.3-40.4178.6178.665.1000111.7S92S92-L94 PolarHBondContact O-N 3.34Å
95R89.5Confident93.4Very high145 Ų14563.5 Ų63.555%0.54734%0.343SS..THydrogen-bonded Turntrans-94.1-16.1-177.9-65.4177.661.6161.71.4112.9S92 E97S92-R95 PolarHBondContact O-N 3.48Å; S92-R95 PolarHBondContact OG-N 2.8Å; R95-E97 HydrophobicContact CB-CB 4.05Å; R95-E97 HydrophobicContact CB-CG 4.23Å; R95-E97 IonicContact CZ-OE2 3.36Å; R95-E97 IonicContact NE-OE2 3.55Å; R95-E97 PolarHBondContact NE-OE2 3.1Å; R95-E97 IonicContact NH2-OE2 3.64Å; R95-E97 PolarHBondContact NH2-OE2 3.49Å; R95-E97 WeakPolarHBondContact O-CG 3.47Å; R95-E97 PolarHBondContact O-N 3.31Å
96E91.6Very high93.3Very high91 Ų9167.1 Ų67.143%0.42537%0.365SS..THydrogen-bonded Turntrans55.639.4-169.8-55.7-166.6149.500112.1W91 S92W91-E96 VanDerWaalsContact CH2-C 3.47Å; W91-E96 WeakPolarHBondContact CH2-O 3.43Å; W91-E96 HydrophobicContact CZ2-CB 4.01Å; W91-E96 VanDerWaalsContact CZ2-O 3.3Å; W91-E96 WeakPolarHBondContact CZ2-O 3.16Å; S92-E96 WeakPolarHBondContact O-CA 3.29Å; S92-E96 PolarHBondContact O-N 3.43Å
97E93.4Very high93.1Very high44 Ų4468.5 Ų68.521%0.20637%0.371CS..EExtended strand (participates in β ladder)trans-136155.8-175.2-70.7170.3178.700110.3Y60 M75 S92 R95 D99Y60-E97 WeakPolarHBondContact OH-CA 3.4Å; M75-E97 HydrophobicContact CE-CG 4.13Å; S92-E97 WeakPolarHBondContact CB-O 3.26Å; S92-E97 PolarHBondContact N-O 2.9Å; S92-E97 PolarHBondContact O-N 3.21Å; R95-E97 HydrophobicContact CB-CB 4.05Å; R95-E97 HydrophobicContact CB-CG 4.23Å; R95-E97 IonicContact CZ-OE2 3.36Å; R95-E97 IonicContact NE-OE2 3.55Å; R95-E97 PolarHBondContact NE-OE2 3.1Å; R95-E97 IonicContact NH2-OE2 3.64Å; R95-E97 PolarHBondContact NH2-OE2 3.49Å; R95-E97 WeakPolarHBondContact O-CG 3.47Å; R95-E97 PolarHBondContact O-N 3.31Å; E97-D99 PolarHBondContact O-N 3.15Å
98V95.7Very high93Very high1 Ų167.8 Ų67.81%0.00637%0.366CS..EExtended strand (participates in β ladder)trans-74.4122.4167179.20000108.9I23 M26 Y60 F77 L89 W91 L100 Q154I23-V98 HydrophobicContact CG2-CG1 4.35Å; I23-V98 HydrophobicContact CG2-CG2 4.28Å; M26-V98 HydrophobicContact CE-CG2 3.7Å; Y60-V98 HydrophobicContact CD1-CG2 3.87Å; Y60-V98 HydrophobicContact CE1-CB 3.95Å; Y60-V98 HydrophobicContact CE1-CG2 3.53Å; Y60-V98 HydrophobicContact CE2-CG2 4.36Å; Y60-V98 HydrophobicContact CG-CG2 4.45Å; Y60-V98 PolarHBondContact OH-N 2.93Å; F77-V98 HydrophobicContact CE1-CB 4.15Å; F77-V98 HydrophobicContact CE1-CG1 4.19Å; F77-V98 HydrophobicContact CE1-CG2 4.46Å; F77-V98 HydrophobicContact CZ-CG1 4.22Å; L89-V98 HydrophobicContact CB-CG1 3.81Å; L89-V98 HydrophobicContact CD1-CG1 3.94Å; L89-V98 HydrophobicContact CG-CG1 4.41Å; W91-V98 HydrophobicContact CE3-CG2 3.86Å; W91-V98 HydrophobicContact CZ3-CG2 4.09Å; V98-L100 HydrophobicContact CG1-CD2 4.12Å; V98-L100 PolarHBondContact O-N 3.37Å; V98-Q154 PolarHBondContact O-NE2 3.38Å
99D94.7Very high92.8Very high71 Ų7172 Ų7238%0.3839%0.385SS..EExtended strand (participates in β ladder)trans-71.7117.9172.1-169.5-12.2000109.8R90 E97 S101R90-D99 WeakPolarHBondContact O-CB 2.97Å; R90-D99 PolarHBondContact O-N 3.25Å; E97-D99 PolarHBondContact O-N 3.15Å; D99-S101 VanDerWaalsContact OD1-CB 3.25Å; D99-S101 WeakPolarHBondContact OD1-CB 3.1Å; D99-S101 PolarHBondContact OD1-N 2.96Å; D99-S101 PolarHBondContact OD1-OG 3.2Å; D99-S101 PolarHBondContact OD2-OG 3.34Å
100L93.6Very high92.6Very high34 Ų3474.3 Ų74.318%0.17841%0.406CS..  trans-93.54.7-179-57.6179.7000112.7F77 L89 V98 R153 Q154F77-L100 HydrophobicContact CB-CD1 3.86Å; F77-L100 HydrophobicContact CD1-CD1 4.27Å; F77-L100 HydrophobicContact CD1-CD2 3.77Å; F77-L100 HydrophobicContact CD2-CD1 4.46Å; F77-L100 HydrophobicContact CD2-CD2 3.68Å; F77-L100 HydrophobicContact CE1-CD2 3.79Å; F77-L100 HydrophobicContact CE2-CD2 3.69Å; F77-L100 HydrophobicContact CG-CD1 3.96Å; F77-L100 HydrophobicContact CG-CD2 3.72Å; F77-L100 HydrophobicContact CG-CG 4.5Å; F77-L100 HydrophobicContact CZ-CD2 3.75Å; L89-L100 HydrophobicContact CD1-CD2 4.33Å; L89-L100 HydrophobicContact CD2-CD2 4.41Å; V98-L100 HydrophobicContact CG1-CD2 4.12Å; V98-L100 PolarHBondContact O-N 3.37Å; L100-R153 HydrophobicContact CD1-CB 3.71Å; L100-Q154 HydrophobicContact CD1-CG 4.09Å
101S90.8Very high92.5Very high63 Ų6371 Ų7144%0.44140%0.395SS..SBendtrans-63.3139.6171.461.10000110.5D99 A103D99-S101 VanDerWaalsContact OD1-CB 3.25Å; D99-S101 WeakPolarHBondContact OD1-CB 3.1Å; D99-S101 PolarHBondContact OD1-N 2.96Å; D99-S101 PolarHBondContact OD1-OG 3.2Å; D99-S101 PolarHBondContact OD2-OG 3.34Å; S101-A103 PolarHBondContact O-N 3.48Å
102P87.4Confident92.4Very high125 Ų12575.1 Ų75.181%0.81241%0.411SS*.PPolyproline II helixtrans-58.9129.5177.7-23.433000111.2
103A90.9Very high92.4Very high27 Ų2778 Ų7822%0.22344%0.437CS..PPolyproline II helixtrans-64150.7171.200000110.9V88 S101 E105 V108V88-A103 HydrophobicContact CB-CB 3.9Å; V88-A103 HydrophobicContact CG1-CB 4.19Å; V88-A103 WeakPolarHBondContact O-CB 3.15Å; S101-A103 PolarHBondContact O-N 3.48Å; A103-E105 PolarHBondContact O-N 3.08Å; A103-V108 HydrophobicContact CB-CG2 4.01Å
104P92.9Very high92.5Very high76 Ų7675.7 Ų75.749%0.49442%0.42SS..PPolyproline II helixtrans-55136.9173.9-2333000111.3S106 E107 V108P104-S106 PolarHBondContact O-N 3.31Å; P104-S106 VanDerWaalsContact O-N 3.14Å; P104-E107 HydrophobicContact CB-CB 4.42Å; P104-E107 WeakPolarHBondContact O-CA 2.92Å; P104-E107 WeakPolarHBondContact O-CB 3.3Å; P104-E107 PolarHBondContact O-N 2.75Å; P104-V108 PolarHBondContact O-N 3.2Å; P104-V108 VanDerWaalsContact O-N 3.12Å
105E91.6Very high92.5Very high160 Ų16069.5 Ų69.575%0.74839%0.388SS*.Hα-helixtrans-56.4-35.5-178-168.7174.3-164.700112.2A103 E107 V108 E109A103-E105 PolarHBondContact O-N 3.08Å; E105-E107 VanDerWaalsContact C-N 3.34Å; E105-E107 PolarHBondContact O-N 2.99Å; E105-V108 PolarHBondContact O-N 3.22Å; E105-E109 WeakPolarHBondContact O-CG 2.91Å; E105-E109 PolarHBondContact O-N 2.98Å
106S93.3Very high92.7Very high94 Ų9469.4 Ų69.466%0.65739%0.394SS*.Hα-helixtrans-63.3-34.7174.356.50000113.9P104 A110P104-S106 PolarHBondContact O-N 3.31Å; P104-S106 VanDerWaalsContact O-N 3.14Å; S106-A110 VanDerWaalsContact O-CB 3.26Å; S106-A110 WeakPolarHBondContact O-CB 3.18Å; S106-A110 PolarHBondContact O-N 2.94Å
107E92.6Very high92.8Very high48 Ų4871.1 Ų71.122%0.22440%0.402CS..Hα-helixtrans-71.5-41.5175.5-175.7173.8-168.300110.4R90 P104 E105 A110 M111R90-E107 IonicContact CZ-OE1 3.78Å; R90-E107 IonicContact NH2-OE1 2.78Å; R90-E107 PolarHBondContact NH2-OE1 2.82Å; R90-E107 IonicContact NH2-OE2 3.91Å; R90-E107 PolarHBondContact NH2-OE2 3.12Å; R90-E107 VanDerWaalsContact NH2-OE2 3.16Å; P104-E107 HydrophobicContact CB-CB 4.42Å; P104-E107 WeakPolarHBondContact O-CA 2.92Å; P104-E107 WeakPolarHBondContact O-CB 3.3Å; P104-E107 PolarHBondContact O-N 2.75Å; E105-E107 VanDerWaalsContact C-N 3.34Å; E105-E107 PolarHBondContact O-N 2.99Å; E107-A110 PolarHBondContact O-N 2.93Å; E107-M111 HydrophobicContact CG-CE 3.99Å; E107-M111 WeakPolarHBondContact O-CG 3.09Å; E107-M111 PolarHBondContact O-N 3.21Å
108V93.1Very high92.8Very high25 Ų2569.9 Ų69.915%0.15240%0.396CS..Hα-helixtrans-62-46.9176.5178.80000110.8L86 V88 A103 P104 E105 M111 R112L86-V108 HydrophobicContact CB-CG1 4.49Å; L86-V108 HydrophobicContact CD2-CG1 4.18Å; L86-V108 WeakPolarHBondContact CD2-O 3.27Å; L86-V108 HydrophobicContact CG-CG1 4.35Å; V88-V108 HydrophobicContact CB-CG2 4.38Å; V88-V108 HydrophobicContact CG2-CG2 4.12Å; A103-V108 HydrophobicContact CB-CG2 4.01Å; P104-V108 PolarHBondContact O-N 3.2Å; P104-V108 VanDerWaalsContact O-N 3.12Å; E105-V108 PolarHBondContact O-N 3.22Å; V108-M111 PolarHBondContact O-N 3.22Å; V108-R112 WeakPolarHBondContact O-CB 3.06Å; V108-R112 PolarHBondContact O-N 2.89Å
109E93.1Very high92.7Very high95 Ų9572.4 Ų72.444%0.44441%0.41SS..Hα-helixtrans-68.4-37.9179.4-71.7-53123.600112.7E105 M111 R112 A113E105-E109 WeakPolarHBondContact O-CG 2.91Å; E105-E109 PolarHBondContact O-N 2.98Å; E109-M111 VanDerWaalsContact C-N 3.34Å; E109-M111 PolarHBondContact O-N 3.28Å; E109-R112 PolarHBondContact O-N 3.37Å; E109-R112 IonicContact OE1-NE 3.62Å; E109-R112 PolarHBondContact OE1-NE 3.1Å; E109-A113 WeakPolarHBondContact O-CB 3.39Å; E109-A113 PolarHBondContact O-N 3.37Å
110A93.2Very high92.7Very high61 Ų6175.3 Ų75.350%0.50442%0.421SS..Hα-helixtrans-61.6-42.3172.900000111.9S106 E107 N114S106-A110 VanDerWaalsContact O-CB 3.26Å; S106-A110 WeakPolarHBondContact O-CB 3.18Å; S106-A110 PolarHBondContact O-N 2.94Å; E107-A110 PolarHBondContact O-N 2.93Å; A110-N114 PolarHBondContact O-N 3.08Å; A110-N114 VanDerWaalsContact O-N 3.14Å
111M92.9Very high92.8Very high25 Ų2575.7 Ų75.712%0.12342%0.421CS..Hα-helixtrans-68.8-36.2175.1-73.3-164-167.300112.8V22 L24 L86 V88 E107 V108 E109 N114 L115 L118V22-M111 HydrophobicContact CB-SD 4.35Å; V22-M111 HydrophobicContact CG1-SD 3.99Å; V22-M111 HydrophobicContact CG2-SD 4.46Å; L24-M111 HydrophobicContact CD1-CE 3.6Å; L24-M111 HydrophobicContact CD2-CE 3.96Å; L24-M111 HydrophobicContact CG-CE 4.04Å; L86-M111 HydrophobicContact CD2-CB 4.02Å; V88-M111 HydrophobicContact CB-SD 4.23Å; V88-M111 HydrophobicContact CG1-CE 3.54Å; V88-M111 HydrophobicContact CG1-SD 3.62Å; V88-M111 HydrophobicContact CG2-CB 4.48Å; V88-M111 HydrophobicContact CG2-CE 4.47Å; V88-M111 HydrophobicContact CG2-CG 4.49Å; V88-M111 HydrophobicContact CG2-SD 3.5Å; V88-M111 VanDerWaalsContact CG2-SD 3.5Å; E107-M111 HydrophobicContact CG-CE 3.99Å; E107-M111 WeakPolarHBondContact O-CG 3.09Å; E107-M111 PolarHBondContact O-N 3.21Å; V108-M111 PolarHBondContact O-N 3.22Å; E109-M111 VanDerWaalsContact C-N 3.34Å; E109-M111 PolarHBondContact O-N 3.28Å; M111-N114 CarbonylContact O-C 3.21Å; M111-N114 VanDerWaalsContact O-C 3.31Å; M111-N114 PolarHBondContact O-N 2.94Å; M111-N114 VanDerWaalsContact O-N 3.14Å; M111-L115 PolarHBondContact O-N 2.97Å; M111-L118 HydrophobicContact CB-CD1 4.16Å; M111-L118 HydrophobicContact CG-CD1 4.34Å
112R93.5Very high93.1Very high96 Ų9673.1 Ų73.136%0.36240%0.403SS..Hα-helixtrans-61.9-45.9175.5-174.4-180-68.6-81.60.8110.9R84 L86 V108 E109 N114 L115R84-R112 PolarHBondContact O-NH1 3.2Å; L86-R112 HydrophobicContact CD2-CB 3.82Å; V108-R112 WeakPolarHBondContact O-CB 3.06Å; V108-R112 PolarHBondContact O-N 2.89Å; E109-R112 PolarHBondContact O-N 3.37Å; E109-R112 IonicContact OE1-NE 3.62Å; E109-R112 PolarHBondContact OE1-NE 3.1Å; R112-N114 PolarHBondContact O-N 2.88Å; R112-L115 WeakPolarHBondContact O-CB 3.4Å; R112-L115 PolarHBondContact O-N 3.34Å
113A93.6Very high93.4Very high92 Ų9268.3 Ų68.376%0.7638%0.375SS*.Hα-helixtrans-59.8-33.7173.600000112.2E109E109-A113 WeakPolarHBondContact O-CB 3.39Å; E109-A113 PolarHBondContact O-N 3.37Å
114N93.6Very high93.7Very high59 Ų5970.8 Ų70.832%0.31639%0.39SS..THydrogen-bonded Turntrans-99.217.4-179.2-153.622.3000115.6A110 M111 R112 Q116 E117 L118A110-N114 PolarHBondContact O-N 3.08Å; A110-N114 VanDerWaalsContact O-N 3.14Å; M111-N114 CarbonylContact O-C 3.21Å; M111-N114 VanDerWaalsContact O-C 3.31Å; M111-N114 PolarHBondContact O-N 2.94Å; M111-N114 VanDerWaalsContact O-N 3.14Å; R112-N114 PolarHBondContact O-N 2.88Å; N114-Q116 PolarHBondContact O-N 2.89Å; N114-E117 PolarHBondContact ND2-OE2 3.14Å; N114-E117 PolarHBondContact O-N 3.14Å; N114-E117 VanDerWaalsContact O-N 3.17Å; N114-E117 VanDerWaalsContact OD1-CB 3.23Å; N114-E117 WeakPolarHBondContact OD1-CB 3.41Å; N114-E117 WeakPolarHBondContact OD1-CG 3.41Å; N114-E117 PolarHBondContact OD1-OE2 3.33Å; N114-L118 WeakPolarHBondContact O-CG 3.06Å; N114-L118 PolarHBondContact O-N 3.26Å
115L92.3Very high93.9Very high28 Ų2867.4 Ų67.415%0.14737%0.367CS..Hα-helixtrans-61-32.8-171.4-171.264.2000112.8F15 T20 M111 R112 L118 D119 L122F15-L115 HydrophobicContact CE2-CG 4.33Å; F15-L115 HydrophobicContact CZ-CD2 4.27Å; F15-L115 HydrophobicContact CZ-CG 3.85Å; T20-L115 HydrophobicContact CG2-CD1 4.07Å; M111-L115 PolarHBondContact O-N 2.97Å; R112-L115 WeakPolarHBondContact O-CB 3.4Å; R112-L115 PolarHBondContact O-N 3.34Å; L115-L118 WeakPolarHBondContact O-CB 3.45Å; L115-L118 PolarHBondContact O-N 2.86Å; L115-D119 PolarHBondContact O-N 2.77Å; L115-D119 VanDerWaalsContact O-N 3.15Å; L115-L122 HydrophobicContact CD1-CD1 4.19Å
116Q92.2Very high94Very high142 Ų14260.8 Ų60.866%0.66434%0.338SS*.Hα-helixtrans-66.6-39.7178.4-68.5-177.1-2.600112.9F15 N114 L118 D119F15-Q116 HydrophobicContact CE1-CG 4.25Å; N114-Q116 PolarHBondContact O-N 2.89Å; Q116-L118 VanDerWaalsContact C-N 3.27Å; Q116-D119 WeakPolarHBondContact O-CB 3.34Å; Q116-D119 PolarHBondContact O-N 2.84Å
117E93.8Very high94.1Very high127 Ų12759.2 Ų59.259%0.59332%0.318SS*.Hα-helixtrans-71.4-28.5174.8-63.4-175.8176.400111.7N114 D119 Q120N114-E117 PolarHBondContact ND2-OE2 3.14Å; N114-E117 PolarHBondContact O-N 3.14Å; N114-E117 VanDerWaalsContact O-N 3.17Å; N114-E117 VanDerWaalsContact OD1-CB 3.23Å; N114-E117 WeakPolarHBondContact OD1-CB 3.41Å; N114-E117 WeakPolarHBondContact OD1-CG 3.41Å; N114-E117 PolarHBondContact OD1-OE2 3.33Å; E117-D119 PolarHBondContact O-N 2.8Å; E117-Q120 PolarHBondContact O-NE2 2.85Å
118L93.2Very high94.1Very high18 Ų1861 Ų619%0.09434%0.34CS..Hα-helixtrans-70.5-20.6175.3-69.3176.4000113.1M111 N114 L115 Q116 Q120 F121 L122M111-L118 HydrophobicContact CB-CD1 4.16Å; M111-L118 HydrophobicContact CG-CD1 4.34Å; N114-L118 WeakPolarHBondContact O-CG 3.06Å; N114-L118 PolarHBondContact O-N 3.26Å; L115-L118 WeakPolarHBondContact O-CB 3.45Å; L115-L118 PolarHBondContact O-N 2.86Å; Q116-L118 VanDerWaalsContact C-N 3.27Å; L118-Q120 PolarHBondContact O-N 3.27Å; L118-Q120 VanDerWaalsContact O-N 3.08Å; L118-F121 HydrophobicContact CD2-CD2 4.36Å; L118-F121 WeakPolarHBondContact O-CA 3.36Å; L118-F121 WeakPolarHBondContact O-CB 3.48Å; L118-F121 PolarHBondContact O-N 3.47Å; L118-L122 HydrophobicContact CB-CD1 4.21Å; L118-L122 WeakPolarHBondContact O-CG 3.49Å; L118-L122 PolarHBondContact O-N 3.49Å
119D94.2Very high94.2Very high55 Ų5561 Ų6129%0.29434%0.341SS..G310 helixtrans-52.5-37.2-172.8-170.658.2000113.8F15 K49 L115 Q116 E117 F121 L122F15-D119 VanDerWaalsContact CD2-OD1 3.3Å; F15-D119 WeakPolarHBondContact CD2-OD1 3.4Å; F15-D119 HydrophobicContact CE2-CB 4.02Å; F15-D119 WeakPolarHBondContact CE2-OD1 3.5Å; F15-D119 HydrophobicContact CZ-CB 4.06Å; K49-D119 WeakPolarHBondContact CD-OD1 3.47Å; K49-D119 WeakPolarHBondContact CE-OD1 3.42Å; K49-D119 PolarHBondContact NZ-O 2.83Å; K49-D119 IonicContact NZ-OD1 3.14Å; K49-D119 PolarHBondContact NZ-OD1 2.89Å; K49-D119 IonicContact NZ-OD2 3.82Å; K49-D119 PolarHBondContact NZ-OD2 2.78Å; K49-D119 VanDerWaalsContact NZ-OD2 3.14Å; L115-D119 PolarHBondContact O-N 2.77Å; L115-D119 VanDerWaalsContact O-N 3.15Å; Q116-D119 WeakPolarHBondContact O-CB 3.34Å; Q116-D119 PolarHBondContact O-N 2.84Å; E117-D119 PolarHBondContact O-N 2.8Å; D119-F121 PolarHBondContact O-N 3.31Å; D119-L122 PolarHBondContact O-N 3.38Å
120Q94.1Very high94.4Very high132 Ų13258 Ų5862%0.61733%0.328SS*.G310 helixtrans-67.8-17.2178.770.8-177.1-4900114.2E117 L118E117-Q120 PolarHBondContact O-NE2 2.85Å; L118-Q120 PolarHBondContact O-N 3.27Å; L118-Q120 VanDerWaalsContact O-N 3.08Å
121F96.1Very high94.5Very high41 Ų4164 Ų6418%0.1834%0.342CS..G310 helixtrans-102.4-3.6-179.5-54.6-67.2000112.4K44 R46 L118 D119K44-F121 HydrophobicContact CB-CD1 3.98Å; K44-F121 HydrophobicContact CB-CE1 4.45Å; K44-F121 HydrophobicContact CD-CE1 4.41Å; K44-F121 HydrophobicContact CG-CD1 4.4Å; K44-F121 HydrophobicContact CG-CE1 4.38Å; K44-F121 VanDerWaalsContact O-CB 3.31Å; K44-F121 WeakPolarHBondContact O-CB 3.23Å; K44-F121 VanDerWaalsContact O-CD1 3.27Å; K44-F121 WeakPolarHBondContact O-CD1 3.44Å; R46-F121 HydrophobicContact CB-CB 3.96Å; R46-F121 HydrophobicContact CG-CB 3.91Å; R46-F121 HydrophobicContact CG-CG 4.47Å; R46-F121 PolarHBondContact N-O 2.97Å; L118-F121 HydrophobicContact CD2-CD2 4.36Å; L118-F121 WeakPolarHBondContact O-CA 3.36Å; L118-F121 WeakPolarHBondContact O-CB 3.48Å; L118-F121 PolarHBondContact O-N 3.47Å; D119-F121 PolarHBondContact O-N 3.31Å
122L96.6Very high94.6Very high10 Ų1066 Ų665%0.05235%0.35CS..  trans-109.3126.3-174.3-62.7172.8000111.3T20 V22 G47 K49 L115 L118 D119T20-L122 HydrophobicContact CG2-CD1 3.71Å; T20-L122 HydrophobicContact CG2-CD2 4.32Å; V22-L122 HydrophobicContact CG2-CD2 4.24Å; G47-L122 WeakPolarHBondContact O-CA 3.41Å; K49-L122 HydrophobicContact CB-CB 4.03Å; K49-L122 HydrophobicContact CB-CD1 4.2Å; K49-L122 HydrophobicContact CD-CB 3.82Å; K49-L122 WeakPolarHBondContact CE-O 3.43Å; K49-L122 HydrophobicContact CG-CB 3.94Å; K49-L122 PolarHBondContact NZ-O 2.83Å; L115-L122 HydrophobicContact CD1-CD1 4.19Å; L118-L122 HydrophobicContact CB-CD1 4.21Å; L118-L122 WeakPolarHBondContact O-CG 3.49Å; L118-L122 PolarHBondContact O-N 3.49Å; D119-L122 PolarHBondContact O-N 3.38Å
123G95.4Very high94.8Very high23 Ų2361.6 Ų61.624%0.23733%0.334CS..EExtended strand (participates in β ladder)trans-75.1137.5173.300000111.2G47 V48 K49G47-G123 PolarHBondContact O-N 3.12Å; V48-G123 CarbonylContact C-O 3.48Å; V48-G123 VanDerWaalsContact CA-O 3.26Å; V48-G123 WeakPolarHBondContact CA-O 3.36Å; V48-G123 WeakPolarHBondContact CG1-O 3.38Å; K49-G123 WeakPolarHBondContact CG-O 3.26Å; K49-G123 PolarHBondContact N-O 3.25Å
124P95.8Very high95Very high80 Ų8061.5 Ų61.552%0.51932%0.32SS..EExtended strand (participates in β ladder)trans-7014117330.4-33.9000110.8M50M50-P124 HydrophobicContact SD-CB 3.94Å
125Y97Very high95.2Very high4 Ų459.6 Ų59.62%0.01631%0.311CS..PPolyproline II helixtrans-59.1137.1173.9-178.2-89000111.7I34 D35 K49 M50 I51 P52 H56 Y127 L130I34-Y125 HydrophobicContact CD1-CD2 4.05Å; I34-Y125 HydrophobicContact CD1-CE2 4.07Å; I34-Y125 HydrophobicContact CG1-CE2 4.19Å; I34-Y125 HydrophobicContact CG2-CD2 4.44Å; D35-Y125 WeakPolarHBondContact OD2-CE2 3.47Å; D35-Y125 VanDerWaalsContact OD2-CZ 3.25Å; D35-Y125 PolarHBondContact OD2-OH 2.77Å; K49-Y125 PolarHBondContact O-N 2.74Å; M50-Y125 WeakPolarHBondContact O-CB 3.25Å; I51-Y125 HydrophobicContact CB-CD2 4.35Å; I51-Y125 HydrophobicContact CG1-CD2 4.15Å; I51-Y125 HydrophobicContact CG2-CD2 3.96Å; I51-Y125 HydrophobicContact CG2-CE2 4.26Å; P52-Y125 HydrophobicContact CG-CD1 4.44Å; P52-Y125 HydrophobicContact CG-CE1 4.17Å; H56-Y125 AromaticContact CE1-CE2 3.9Å; H56-Y125 AromaticContact ND1-CE2 3.87Å; Y125-Y127 AromaticContact CD1-CD2 3.9Å; Y125-Y127 HydrophobicContact CD1-CD2 3.9Å; Y125-Y127 AromaticContact CD1-CE2 3.98Å; Y125-Y127 HydrophobicContact CD1-CE2 3.98Å; Y125-Y127 HydrophobicContact CD1-CG 4.25Å; Y125-Y127 VanDerWaalsContact O-CD2 3.28Å; Y125-Y127 WeakPolarHBondContact O-CD2 3.38Å; Y125-Y127 PolarHBondContact O-N 3.37Å; Y125-L130 HydrophobicContact CE1-CB 4.3Å; Y125-L130 HydrophobicContact CE1-CD1 4.15Å
126P94.5Very high95.5Very high22 Ų2258.4 Ų58.414%0.14331%0.305CS..  trans-79.282.1-176.534.1-39.4000112.4N37 W39 A128 T129N37-P126 HydrophobicContact CB-CB 4.49Å; N37-P126 HydrophobicContact CB-CG 3.95Å; N37-P126 VanDerWaalsContact CG-CG 3.48Å; N37-P126 WeakPolarHBondContact ND2-CG 3.35Å; W39-P126 HydrophobicContact CH2-CB 4.28Å; W39-P126 HydrophobicContact CH2-CG 3.78Å; W39-P126 HydrophobicContact CZ2-CB 4.24Å; W39-P126 HydrophobicContact CZ2-CG 4.22Å; P126-A128 PolarHBondContact O-N 3.42Å; P126-T129 PolarHBondContact O-N 2.89Å; P126-T129 PolarHBondContact O-OG1 2.84Å
127Y94.9Very high95.7Very high61 Ų6152.2 Ų52.224%0.23928%0.277CS..G310 helixtrans-59.5-17.8-179.7-81.8-92.3000115.2M6 L14 M50 Y125 T129 L130M6-Y127 HydrophobicContact CE-CD2 3.41Å; M6-Y127 VanDerWaalsContact CE-CD2 3.41Å; M6-Y127 HydrophobicContact CE-CE2 4.01Å; M6-Y127 HydrophobicContact CE-CG 3.98Å; L14-Y127 HydrophobicContact CD1-CD2 4.44Å; L14-Y127 HydrophobicContact CD1-CE1 4.37Å; L14-Y127 HydrophobicContact CD1-CE2 3.77Å; L14-Y127 WeakPolarHBondContact CD2-OH 3.48Å; M50-Y127 HydrophobicContact CB-CE2 4.24Å; M50-Y127 VanDerWaalsContact O-CE2 3.23Å; M50-Y127 WeakPolarHBondContact O-CE2 3.38Å; M50-Y127 PolarHBondContact O-OH 3.03Å; Y125-Y127 AromaticContact CD1-CD2 3.9Å; Y125-Y127 HydrophobicContact CD1-CD2 3.9Å; Y125-Y127 AromaticContact CD1-CE2 3.98Å; Y125-Y127 HydrophobicContact CD1-CE2 3.98Å; Y125-Y127 HydrophobicContact CD1-CG 4.25Å; Y125-Y127 VanDerWaalsContact O-CD2 3.28Å; Y125-Y127 WeakPolarHBondContact O-CD2 3.38Å; Y125-Y127 PolarHBondContact O-N 3.37Å; Y127-T129 PolarHBondContact O-N 3.13Å; Y127-L130 HydrophobicContact CD1-CB 4.5Å; Y127-L130 HydrophobicContact CD1-CD2 3.6Å; Y127-L130 HydrophobicContact CE1-CD2 3.76Å; Y127-L130 WeakPolarHBondContact O-CB 3.46Å; Y127-L130 PolarHBondContact O-N 3.44Å
128A94.1Very high95.9Very high84 Ų8450.5 Ų50.569%0.69427%0.271SS*.G310 helixtrans-58.9-31.7176.200000112.8P126P126-A128 PolarHBondContact O-N 3.42Å
129T95.2Very high96.1Very high27 Ų2751.8 Ų51.817%0.16628%0.277CS..G310 helixtrans-1045-179.659.60000113.2N37 P126 Y127 K131 K132 W133N37-T129 PolarHBondContact ND2-OG1 3.08Å; P126-T129 PolarHBondContact O-N 2.89Å; P126-T129 PolarHBondContact O-OG1 2.84Å; Y127-T129 PolarHBondContact O-N 3.13Å; T129-K131 VanDerWaalsContact C-N 3.33Å; T129-K131 PolarHBondContact O-N 3.21Å; T129-K132 WeakPolarHBondContact O-CB 3.14Å; T129-K132 PolarHBondContact O-N 2.91Å; T129-K132 VanDerWaalsContact O-N 3.11Å; T129-W133 PolarHBondContact O-N 2.75Å
130L95.6Very high96.3Very high32 Ų3249.8 Ų49.817%0.16827%0.265CS..Hα-helixtrans-59.5-43.2-176.4177.457.7000112.1P52 Y125 Y127 K132 W133 I134P52-L130 HydrophobicContact CG-CD1 3.69Å; P52-L130 HydrophobicContact CG-CD2 4.19Å; Y125-L130 HydrophobicContact CE1-CB 4.3Å; Y125-L130 HydrophobicContact CE1-CD1 4.15Å; Y127-L130 HydrophobicContact CD1-CB 4.5Å; Y127-L130 HydrophobicContact CD1-CD2 3.6Å; Y127-L130 HydrophobicContact CE1-CD2 3.76Å; Y127-L130 WeakPolarHBondContact O-CB 3.46Å; Y127-L130 PolarHBondContact O-N 3.44Å; L130-K132 VanDerWaalsContact C-N 3.27Å; L130-K132 PolarHBondContact O-N 2.96Å; L130-W133 PolarHBondContact O-N 3.4Å; L130-I134 HydrophobicContact CD1-CD1 3.92Å; L130-I134 HydrophobicContact CD1-CG1 4.06Å; L130-I134 HydrophobicContact CD2-CD1 4.5Å; L130-I134 HydrophobicContact CG-CD1 3.83Å; L130-I134 HydrophobicContact CG-CG1 4.41Å; L130-I134 WeakPolarHBondContact O-CG1 3.25Å; L130-I134 PolarHBondContact O-N 2.78Å
131K95.9Very high96.4Very high185 Ų18546 Ų4680%0.80425%0.254SS*.Hα-helixtrans-60.8-39.2177.6-69.3-177.1178.5178.90112T129 S135T129-K131 VanDerWaalsContact C-N 3.33Å; T129-K131 PolarHBondContact O-N 3.21Å; K131-S135 PolarHBondContact O-N 2.7Å
132K95.9Very high96.4Very high67 Ų6749 Ų4929%0.29127%0.269SS..Hα-helixtrans-63.2-50.9174.8167.9179.3162.9169.70110C36 T129 L130 I134 S135 L136 E308C36-K132 HydrophobicContact CB-CD 4.2Å; C36-K132 WeakPolarHBondContact SG-CE 3.3Å; T129-K132 WeakPolarHBondContact O-CB 3.14Å; T129-K132 PolarHBondContact O-N 2.91Å; T129-K132 VanDerWaalsContact O-N 3.11Å; L130-K132 VanDerWaalsContact C-N 3.27Å; L130-K132 PolarHBondContact O-N 2.96Å; K132-I134 PolarHBondContact O-N 3.49Å; K132-S135 PolarHBondContact O-N 3.34Å; K132-S135 VanDerWaalsContact O-N 3.11Å; K132-S135 PolarHBondContact O-OG 3.42Å; K132-L136 HydrophobicContact CG-CD1 4.23Å; K132-L136 WeakPolarHBondContact O-CG 3.36Å; K132-L136 PolarHBondContact O-N 3.34Å; K132-E308 WeakPolarHBondContact CD-OE1 3.41Å; K132-E308 WeakPolarHBondContact CE-OE1 3.47Å; K132-E308 WeakPolarHBondContact CE-OE2 3.49Å; K132-E308 WeakPolarHBondContact CG-OE1 3.46Å; K132-E308 VanDerWaalsContact NZ-CD 3.33Å; K132-E308 IonicContact NZ-OE1 3.16Å; K132-E308 IonicContact NZ-OE2 2.93Å; K132-E308 PolarHBondContact NZ-OE2 3.34Å
133W97.8Very high96.3Very high5 Ų552 Ų522%0.01929%0.294CS..Hα-helixtrans-54-52.1176.7177.1-118000112.2D35 I55 H56 F57 F78 T129 L130 S135 L136 T137 V260 L264D35-W133 HydrophobicContact CB-CB 4.28Å; D35-W133 HydrophobicContact CB-CD2 3.54Å; D35-W133 HydrophobicContact CB-CE3 3.57Å; D35-W133 HydrophobicContact CB-CG 3.86Å; D35-W133 HydrophobicContact CB-CZ3 4.1Å; D35-W133 VanDerWaalsContact CG-CD2 3.42Å; D35-W133 VanDerWaalsContact CG-CE2 3.41Å; D35-W133 VanDerWaalsContact OD1-CE2 3.25Å; D35-W133 VanDerWaalsContact OD1-CZ2 3.29Å; D35-W133 WeakPolarHBondContact OD1-CZ2 3.03Å; I55-W133 WeakPolarHBondContact O-CZ2 3.4Å; I55-W133 PolarHBondContact O-NE1 3.39Å; H56-W133 AromaticContact CE1-NE1 3.97Å; H56-W133 AromaticContact ND1-NE1 3.76Å; F57-W133 HydrophobicContact CB-CH2 3.57Å; F57-W133 HydrophobicContact CB-CZ2 4.28Å; F57-W133 HydrophobicContact CB-CZ3 4.35Å; F78-W133 HydrophobicContact CE1-CH2 4.46Å; T129-W133 PolarHBondContact O-N 2.75Å; L130-W133 PolarHBondContact O-N 3.4Å; W133-S135 VanDerWaalsContact C-N 3.26Å; W133-S135 PolarHBondContact O-N 2.86Å; W133-L136 WeakPolarHBondContact O-CA 3.32Å; W133-L136 WeakPolarHBondContact O-CB 3.38Å; W133-L136 PolarHBondContact O-N 3.02Å; W133-T137 HydrophobicContact CD2-CG2 3.87Å; W133-T137 HydrophobicContact CE3-CG2 3.8Å; W133-T137 HydrophobicContact CH2-CG2 3.42Å; W133-T137 VanDerWaalsContact CH2-CG2 3.42Å; W133-T137 HydrophobicContact CZ2-CG2 3.46Å; W133-T137 VanDerWaalsContact CZ2-CG2 3.46Å; W133-T137 HydrophobicContact CZ3-CG2 3.59Å; W133-T137 PolarHBondContact O-N 3.18Å; W133-T137 VanDerWaalsContact O-N 3.11Å; W133-T137 PolarHBondContact O-OG1 3.22Å; W133-V260 HydrophobicContact CH2-CG1 4.09Å; W133-V260 HydrophobicContact CH2-CG2 4.42Å; W133-V260 HydrophobicContact CZ3-CG1 4.16Å; W133-V260 HydrophobicContact CZ3-CG2 4.15Å; W133-L264 HydrophobicContact CZ3-CD1 3.94Å
134I97.5Very high96.3Very high90 Ų9051.7 Ų51.746%0.46229%0.288SS..Hα-helixtrans-56-41.9178.3-67.2167.3000111.1L130 K132 L136 T137 N138L130-I134 HydrophobicContact CD1-CD1 3.92Å; L130-I134 HydrophobicContact CD1-CG1 4.06Å; L130-I134 HydrophobicContact CD2-CD1 4.5Å; L130-I134 HydrophobicContact CG-CD1 3.83Å; L130-I134 HydrophobicContact CG-CG1 4.41Å; L130-I134 WeakPolarHBondContact O-CG1 3.25Å; L130-I134 PolarHBondContact O-N 2.78Å; K132-I134 PolarHBondContact O-N 3.49Å; I134-L136 PolarHBondContact O-N 2.86Å; I134-T137 PolarHBondContact O-N 2.77Å; I134-N138 VanDerWaalsContact O-CB 3.26Å; I134-N138 WeakPolarHBondContact O-CB 3.45Å; I134-N138 PolarHBondContact O-N 2.7Å
135S97.3Very high96.4Very high19 Ų1948.3 Ų48.313%0.13327%0.266CS..Hα-helixtrans-66.6-21.1179.173.20000114.3K131 K132 W133 Q256 H304K131-S135 PolarHBondContact O-N 2.7Å; K132-S135 PolarHBondContact O-N 3.34Å; K132-S135 VanDerWaalsContact O-N 3.11Å; K132-S135 PolarHBondContact O-OG 3.42Å; W133-S135 VanDerWaalsContact C-N 3.26Å; W133-S135 PolarHBondContact O-N 2.86Å; S135-Q256 PolarHBondContact O-NE2 3.4Å; S135-H304 WeakPolarHBondContact CB-CD2 2.91Å; S135-H304 PolarHBondContact OG-CD2 2.64Å
136L97.9Very high96.3Very high2 Ų253 Ų531%0.0129%0.288CS..Hα-helixtrans-92.2-16.1177.1-63.1175.1000112.9K132 W133 I134 Q256 F259 H304 Q305 E308K132-L136 HydrophobicContact CG-CD1 4.23Å; K132-L136 WeakPolarHBondContact O-CG 3.36Å; K132-L136 PolarHBondContact O-N 3.34Å; W133-L136 WeakPolarHBondContact O-CA 3.32Å; W133-L136 WeakPolarHBondContact O-CB 3.38Å; W133-L136 PolarHBondContact O-N 3.02Å; I134-L136 PolarHBondContact O-N 2.86Å; L136-Q256 VanDerWaalsContact C-NE2 3.31Å; L136-Q256 WeakPolarHBondContact O-CB 3.2Å; L136-Q256 VanDerWaalsContact O-CG 3.31Å; L136-Q256 WeakPolarHBondContact O-CG 3.39Å; L136-Q256 PolarHBondContact O-NE2 2.99Å; L136-F259 HydrophobicContact CD2-CD1 4.33Å; L136-F259 HydrophobicContact CD2-CE1 3.86Å; L136-H304 HydrophobicContact CD2-CB 4.38Å; L136-Q305 HydrophobicContact CD2-CG 4.13Å; L136-E308 HydrophobicContact CD1-CG 4.18Å; L136-E308 HydrophobicContact CD2-CG 4.17Å
137T97.9Very high96.4Very high13 Ų1355.9 Ų55.98%0.0830%0.298CS..Hα-helixtrans-131.67.6-170.661.70000115.4W133 I134 F139 I140 V260W133-T137 HydrophobicContact CD2-CG2 3.87Å; W133-T137 HydrophobicContact CE3-CG2 3.8Å; W133-T137 HydrophobicContact CH2-CG2 3.42Å; W133-T137 VanDerWaalsContact CH2-CG2 3.42Å; W133-T137 HydrophobicContact CZ2-CG2 3.46Å; W133-T137 VanDerWaalsContact CZ2-CG2 3.46Å; W133-T137 HydrophobicContact CZ3-CG2 3.59Å; W133-T137 PolarHBondContact O-N 3.18Å; W133-T137 VanDerWaalsContact O-N 3.11Å; W133-T137 PolarHBondContact O-OG1 3.22Å; I134-T137 PolarHBondContact O-N 2.77Å; T137-F139 PolarHBondContact O-N 3.18Å; T137-I140 HydrophobicContact CG2-CD1 3.77Å; T137-I140 PolarHBondContact O-N 3.45Å; T137-V260 HydrophobicContact CG2-CG2 3.99Å
138N96.9Very high96.5Very high90 Ų9053.1 Ų53.148%0.48129%0.287SS..THydrogen-bonded Turntrans-63.7-13-175.865.5-51.3000115.9I134 Q256I134-N138 VanDerWaalsContact O-CB 3.26Å; I134-N138 WeakPolarHBondContact O-CB 3.45Å; I134-N138 PolarHBondContact O-N 2.7Å; N138-Q256 PolarHBondContact OD1-NE2 3.26Å
139F97.9Very high96.5Very high46 Ų4649.3 Ų49.320%0.20226%0.255CS..THydrogen-bonded Turntrans-105.7-4.4171.4-70.8-91000113.3T137 S141 Q249 L252 G253 N297 I301T137-F139 PolarHBondContact O-N 3.18Å; F139-S141 PolarHBondContact O-N 3Å; F139-Q249 HydrophobicContact CE1-CB 4.47Å; F139-L252 HydrophobicContact CB-CB 4.17Å; F139-L252 HydrophobicContact CD1-CB 4.04Å; F139-L252 HydrophobicContact CD1-CD1 4.25Å; F139-L252 HydrophobicContact CD2-CB 4.38Å; F139-L252 HydrophobicContact CE1-CD1 3.98Å; F139-L252 HydrophobicContact CE2-CD1 4.4Å; F139-L252 HydrophobicContact CG-CB 3.94Å; F139-L252 HydrophobicContact CZ-CD1 4.08Å; F139-G253 VanDerWaalsContact O-CA 3.24Å; F139-G253 WeakPolarHBondContact O-CA 3.46Å; F139-N297 HydrophobicContact CE1-CB 4.43Å; F139-N297 HydrophobicContact CE2-CB 4.11Å; F139-N297 HydrophobicContact CZ-CB 3.61Å; F139-I301 HydrophobicContact CD2-CD1 3.66Å; F139-I301 HydrophobicContact CD2-CG1 4.17Å; F139-I301 HydrophobicContact CE2-CD1 3.87Å; F139-I301 HydrophobicContact CE2-CG1 4.21Å; F139-I301 HydrophobicContact CG-CD1 4.43Å
140I97.8Very high96.5Very high12 Ų1248.1 Ų48.16%0.06225%0.248CC..  trans-80.9109.4176.1-54.4-178.9000108.4I55 F78 T137 T144 V145 Q256 F257 V260I55-I140 HydrophobicContact CG1-CG2 4.47Å; I55-I140 HydrophobicContact CG2-CG2 4.15Å; F78-I140 HydrophobicContact CE1-CD1 4.47Å; T137-I140 HydrophobicContact CG2-CD1 3.77Å; T137-I140 PolarHBondContact O-N 3.45Å; I140-T144 HydrophobicContact CG2-CG2 4.44Å; I140-V145 HydrophobicContact CG2-CG2 3.56Å; I140-Q256 HydrophobicContact CD1-CB 3.94Å; I140-Q256 HydrophobicContact CG1-CB 3.74Å; I140-F257 HydrophobicContact CD1-CB 4.25Å; I140-V260 HydrophobicContact CD1-CG2 4.36Å
141S95.8Very high96.5Very high53 Ų5353.3 Ų53.337%0.37127%0.271SS..  trans-95.2166.9173.773.40000111.9F139 A143 T144 V145F139-S141 PolarHBondContact O-N 3Å; S141-A143 PolarHBondContact O-N 3.16Å; S141-A143 PolarHBondContact OG-N 3.47Å; S141-T144 PolarHBondContact N-OG1 3.22Å; S141-T144 VanDerWaalsContact O-CB 3.31Å; S141-T144 WeakPolarHBondContact O-CB 3.44Å; S141-T144 PolarHBondContact O-N 3.12Å; S141-T144 VanDerWaalsContact O-N 3.1Å; S141-T144 PolarHBondContact OG-N 3.41Å; S141-T144 PolarHBondContact OG-OG1 3.42Å; S141-V145 WeakPolarHBondContact O-CG2 3.36Å; S141-V145 PolarHBondContact O-N 3.01Å
142E96.2Very high96.3Very high105 Ų10547.4 Ų47.449%0.49125%0.249SC..Hα-helixtrans-56.2-40.8170.4-62.8-172.4174.800112.1I55 S80 H82 T144 V145 E146I55-E142 HydrophobicContact CD1-CG 3.91Å; S80-E142 WeakPolarHBondContact CB-OE1 3.36Å; S80-E142 VanDerWaalsContact OG-CD 3.22Å; S80-E142 WeakPolarHBondContact OG-CG 3.08Å; S80-E142 PolarHBondContact OG-OE1 3.47Å; H82-E142 IonicContact CE1-OE1 3.46Å; H82-E142 IonicContact NE2-OE1 3.95Å; E142-T144 VanDerWaalsContact C-N 3.32Å; E142-T144 PolarHBondContact O-N 3.36Å; E142-V145 PolarHBondContact O-N 3.4Å; E142-E146 PolarHBondContact O-N 2.56Å
143A95.3Very high96.3Very high71 Ų7149.7 Ų49.759%0.58726%0.255SS*.Hα-helixtrans-64.8-37.4176.800000111.8S141 K147S141-A143 PolarHBondContact O-N 3.16Å; S141-A143 PolarHBondContact OG-N 3.47Å; A143-K147 VanDerWaalsContact O-CB 3.22Å; A143-K147 WeakPolarHBondContact O-CB 3.5Å; A143-K147 PolarHBondContact O-N 2.87Å
144T95.8Very high96.1Very high17 Ų1750 Ų5010%0.10426%0.257CS..Hα-helixtrans-61.9-47173.4-520000110.6I140 S141 E142 K147 L148I140-T144 HydrophobicContact CG2-CG2 4.44Å; S141-T144 PolarHBondContact N-OG1 3.22Å; S141-T144 VanDerWaalsContact O-CB 3.31Å; S141-T144 WeakPolarHBondContact O-CB 3.44Å; S141-T144 PolarHBondContact O-N 3.12Å; S141-T144 VanDerWaalsContact O-N 3.1Å; S141-T144 PolarHBondContact OG-N 3.41Å; S141-T144 PolarHBondContact OG-OG1 3.42Å; E142-T144 VanDerWaalsContact C-N 3.32Å; E142-T144 PolarHBondContact O-N 3.36Å; T144-K147 PolarHBondContact O-N 3.27Å; T144-L148 HydrophobicContact CG2-CD1 3.62Å; T144-L148 HydrophobicContact CG2-CG 4.38Å; T144-L148 WeakPolarHBondContact O-CB 3.43Å; T144-L148 VanDerWaalsContact O-CG 3.25Å; T144-L148 WeakPolarHBondContact O-CG 3.44Å; T144-L148 PolarHBondContact O-N 3.12Å
145V96.9Very high96.1Very high10 Ų1045.8 Ų45.86%0.06124%0.236CC..Hα-helixtrans-62-50.9179172.50000111.2I55 F78 I140 S141 E142 K147 L148 Q149I55-V145 HydrophobicContact CD1-CG2 4.07Å; I55-V145 HydrophobicContact CG1-CG2 4.35Å; I55-V145 HydrophobicContact CG2-CG2 3.91Å; F78-V145 HydrophobicContact CB-CG1 3.83Å; F78-V145 HydrophobicContact CB-CG2 4.31Å; F78-V145 HydrophobicContact CG-CG1 4.44Å; F78-V145 HydrophobicContact CG-CG2 4.44Å; I140-V145 HydrophobicContact CG2-CG2 3.56Å; S141-V145 WeakPolarHBondContact O-CG2 3.36Å; S141-V145 PolarHBondContact O-N 3.01Å; E142-V145 PolarHBondContact O-N 3.4Å; V145-K147 VanDerWaalsContact C-N 3.27Å; V145-K147 PolarHBondContact O-N 3.18Å; V145-L148 PolarHBondContact O-N 2.84Å; V145-Q149 VanDerWaalsContact CG1-CD 3.42Å; V145-Q149 HydrophobicContact CG1-CG 3.82Å; V145-Q149 VanDerWaalsContact CG1-NE2 3.31Å; V145-Q149 WeakPolarHBondContact O-CB 3.39Å; V145-Q149 WeakPolarHBondContact O-CG 2.93Å; V145-Q149 PolarHBondContact O-N 3.45Å
146E95.4Very high96Very high103 Ų10346.3 Ų46.348%0.48124%0.239SC..Hα-helixtrans-64.2-33.9-179.2-171.563.4-141.800111.5E142 R153 R207E142-E146 PolarHBondContact O-N 2.56Å; E146-R153 IonicContact OE1-NH2 3.78Å; E146-R153 IonicContact OE2-CZ 2.7Å; E146-R153 IonicContact OE2-NH2 3.79Å; E146-R153 PolarHBondContact OE2-NH2 2.86Å; E146-R207 PolarHBondContact O-NH2 2.92Å
147K95.7Very high95.8Very high82 Ų8247.4 Ų47.436%0.35725%0.248SC..Hα-helixtrans-66.7-47.7174.9-174.1-177.6179.7-171.10111.8A143 T144 V145 R207 Q243A143-K147 VanDerWaalsContact O-CB 3.22Å; A143-K147 WeakPolarHBondContact O-CB 3.5Å; A143-K147 PolarHBondContact O-N 2.87Å; T144-K147 PolarHBondContact O-N 3.27Å; V145-K147 VanDerWaalsContact C-N 3.27Å; V145-K147 PolarHBondContact O-N 3.18Å; K147-R207 WeakPolarHBondContact O-CB 3.34Å; K147-R207 PolarHBondContact O-NE 2.53Å; K147-Q243 PolarHBondContact NZ-O 3.35Å
148L97.1Very high95.3Very high2 Ų252.2 Ų52.21%0.0127%0.268CS..Hα-helixtrans-91.4-33.2-166.2-62.9177.9000114.8T144 V145 I206 R207 F208 E254 F257T144-L148 HydrophobicContact CG2-CD1 3.62Å; T144-L148 HydrophobicContact CG2-CG 4.38Å; T144-L148 WeakPolarHBondContact O-CB 3.43Å; T144-L148 VanDerWaalsContact O-CG 3.25Å; T144-L148 WeakPolarHBondContact O-CG 3.44Å; T144-L148 PolarHBondContact O-N 3.12Å; V145-L148 PolarHBondContact O-N 2.84Å; L148-I206 VanDerWaalsContact O-CG2 3.28Å; L148-I206 WeakPolarHBondContact O-CG2 3.31Å; L148-R207 WeakPolarHBondContact CD2-O 3.46Å; L148-R207 PolarHBondContact O-N 3.24Å; L148-F208 HydrophobicContact CD2-CD1 4.46Å; L148-E254 HydrophobicContact CD1-CB 3.96Å; L148-E254 HydrophobicContact CD1-CG 3.79Å; L148-E254 HydrophobicContact CD2-CG 3.96Å; L148-F257 HydrophobicContact CB-CD1 4.04Å; L148-F257 HydrophobicContact CB-CD2 4.36Å; L148-F257 HydrophobicContact CB-CE1 3.85Å; L148-F257 HydrophobicContact CB-CE2 4.16Å; L148-F257 HydrophobicContact CB-CG 4.3Å; L148-F257 HydrophobicContact CB-CZ 3.91Å; L148-F257 HydrophobicContact CD1-CB 3.72Å; L148-F257 HydrophobicContact CD1-CD1 3.8Å; L148-F257 HydrophobicContact CD1-CD2 4.13Å; L148-F257 HydrophobicContact CD1-CE1 4.46Å; L148-F257 HydrophobicContact CD1-CG 3.61Å
149Q95Very high94.9Very high5 Ų550 Ų502%0.02326%0.259CS..SBendtrans-59.5154.3-179.2-81.1-171.5-10.200112F78 V145 I155 R207 F257F78-Q149 HydrophobicContact CD2-CG 4.27Å; F78-Q149 PolarHBondContact O-NE2 2.89Å; F78-Q149 VanDerWaalsContact O-NE2 3.15Å; V145-Q149 VanDerWaalsContact CG1-CD 3.42Å; V145-Q149 HydrophobicContact CG1-CG 3.82Å; V145-Q149 VanDerWaalsContact CG1-NE2 3.31Å; V145-Q149 WeakPolarHBondContact O-CB 3.39Å; V145-Q149 WeakPolarHBondContact O-CG 2.93Å; V145-Q149 PolarHBondContact O-N 3.45Å; Q149-I155 HydrophobicContact CG-CD1 4.41Å; Q149-R207 PolarHBondContact O-NE 3.18Å; Q149-R207 PolarHBondContact O-NH1 3.33Å; Q149-R207 PolarHBondContact O-NH2 3.4Å; Q149-F257 HydrophobicContact CG-CE2 4.03Å; Q149-F257 HydrophobicContact CG-CZ 3.94Å
150P95.8Very high94.4Very high1 Ų150.5 Ų50.51%0.00626%0.264CS..  trans-56.3157.7168.8-28.940.1000113.2N152 R153 Q154 I155 T204 E205 I206 R207P150-N152 VanDerWaalsContact C-N 3.26Å; P150-N152 VanDerWaalsContact CB-OD1 3.27Å; P150-N152 WeakPolarHBondContact CB-OD1 3.5Å; P150-N152 PolarHBondContact O-N 2.84Å; P150-R153 WeakPolarHBondContact O-CA 3.44Å; P150-R153 PolarHBondContact O-N 3.39Å; P150-Q154 WeakPolarHBondContact CG-O 3.44Å; P150-I155 HydrophobicContact CG-CG1 4.16Å; P150-T204 VanDerWaalsContact CG-O 3.31Å; P150-T204 WeakPolarHBondContact CG-O 3.23Å; P150-E205 WeakPolarHBondContact CA-O 3.33Å; P150-E205 WeakPolarHBondContact CG-O 3.34Å; P150-I206 HydrophobicContact CG-CG1 4.21Å; P150-R207 VanDerWaalsContact C-NH1 3.29Å
151E94.4Very high94.1Very high142 Ų14252.8 Ų52.866%0.66428%0.279SS*.THydrogen-bonded Turntrans-63.5-36178.9-66.2-176.2167.900111.6R153 G203E151-R153 PolarHBondContact O-N 2.91Å; E151-G203 PolarHBondContact N-O 3.38Å; E151-G203 VanDerWaalsContact N-O 3.08Å
152N92.9Very high93.8Very high61 Ų6153.1 Ų53.133%0.32628%0.276SS..THydrogen-bonded Turntrans-77.4-1.3173.173.2-1.1000113.4P150 Q154 G203P150-N152 VanDerWaalsContact C-N 3.26Å; P150-N152 VanDerWaalsContact CB-OD1 3.27Å; P150-N152 WeakPolarHBondContact CB-OD1 3.5Å; P150-N152 PolarHBondContact O-N 2.84Å; N152-Q154 PolarHBondContact O-N 2.84Å; N152-Q154 PolarHBondContact OD1-N 2.72Å; N152-Q154 PolarHBondContact OD1-O 3.28Å; N152-G203 PolarHBondContact N-O 3.38Å; N152-G203 VanDerWaalsContact N-O 3.08Å; N152-G203 PolarHBondContact OD1-O 3.11Å
153R94.9Very high93.5Very high114 Ų11450.6 Ų50.643%0.4327%0.269SS..  trans60.73.3-177.3-59-180169.9-172.1-10115.9F77 L100 E146 P150 E151F77-R153 WeakPolarHBondContact CB-O 3.27Å; L100-R153 HydrophobicContact CD1-CB 3.71Å; E146-R153 IonicContact OE1-NH2 3.78Å; E146-R153 IonicContact OE2-CZ 2.7Å; E146-R153 IonicContact OE2-NH2 3.79Å; E146-R153 PolarHBondContact OE2-NH2 2.86Å; P150-R153 WeakPolarHBondContact O-CA 3.44Å; P150-R153 PolarHBondContact O-N 3.39Å; E151-R153 PolarHBondContact O-N 2.91Å
154Q94.6Very high93.1Very high11 Ų1150.1 Ų50.15%0.05126%0.258CS..  trans-92.8121.9178.9-67.7-76.1-4.100109.9Y60 M75 V98 L100 P150 N152Y60-Q154 PolarHBondContact OH-OE1 2.99Å; M75-Q154 HydrophobicContact CE-CB 3.85Å; M75-Q154 HydrophobicContact CE-CG 4.21Å; V98-Q154 PolarHBondContact O-NE2 3.38Å; L100-Q154 HydrophobicContact CD1-CG 4.09Å; P150-Q154 WeakPolarHBondContact CG-O 3.44Å; N152-Q154 PolarHBondContact O-N 2.84Å; N152-Q154 PolarHBondContact OD1-N 2.72Å; N152-Q154 PolarHBondContact OD1-O 3.28Å
155I96.4Very high92.5Very high3 Ų353.5 Ų53.52%0.01528%0.275CS..EExtended strand (participates in β ladder)trans-101.4121.1173.3-62.4175.4000107.5F57 M75 G76 F78 Q149 P150 I206 F257 V267F57-I155 HydrophobicContact CE2-CD1 4.23Å; M75-I155 CarbonylContact C-O 3.55Å; M75-I155 WeakPolarHBondContact CA-O 3.43Å; G76-I155 PolarHBondContact N-O 3.4Å; G76-I155 WeakPolarHBondContact O-CA 3.41Å; G76-I155 WeakPolarHBondContact O-CB 3.44Å; G76-I155 PolarHBondContact O-N 3.29Å; F78-I155 HydrophobicContact CD2-CD1 3.89Å; F78-I155 HydrophobicContact CE2-CD1 3.66Å; Q149-I155 HydrophobicContact CG-CD1 4.41Å; P150-I155 HydrophobicContact CG-CG1 4.16Å; I155-I206 HydrophobicContact CG2-CD1 4.07Å; I155-F257 HydrophobicContact CD1-CZ 3.92Å; I155-V267 HydrophobicContact CG2-CG2 3.56Å
156C94.6Very high91.7Very high29 Ų2957 Ų5720%0.19630%0.3CS..EExtended strand (participates in β ladder)trans-112143.6-179.6-172.70000110.5M75 F158 V267M75-C156 HydrophobicContact CE-CB 4.39Å; M75-C156 HydrophobicContact SD-CB 3.68Å; C156-F158 WeakPolarHBondContact CB-O 3.37Å; C156-F158 PolarHBondContact O-N 2.91Å; C156-F158 VanDerWaalsContact O-N 3.12Å; C156-F158 WeakPolarHBondContact SG-CD1 3.42Å; C156-F158 WeakPolarHBondContact SG-CE1 3.18Å; C156-F158 PolarHBondContact SG-O 3.27Å; C156-F158 VanDerWaalsContact SG-O 3.38Å; C156-V267 WeakPolarHBondContact O-CG2 3.41Å
157A93.8Very high90.8Very high25 Ų2554.4 Ų54.421%0.20729%0.289CS..SBendtrans-57.9-22.9175.300000113.5R74 N266R74-A157 HydrophobicContact CB-CB 4.24Å; R74-A157 WeakPolarHBondContact O-CB 3.33Å; R74-A157 PolarHBondContact O-N 3.14Å; A157-N266 HydrophobicContact CB-CB 4.16Å
158F89Confident89.9Confident115 Ų11558.7 Ų58.750%0.50431%0.307SS..SBendtrans-126.2151.1174.969.9-83.7000111.2P73 C156 D160P73-F158 HydrophobicContact CB-CD1 3.55Å; P73-F158 HydrophobicContact CB-CE1 3.44Å; P73-F158 VanDerWaalsContact CB-CE1 3.44Å; P73-F158 HydrophobicContact CG-CD1 3.97Å; P73-F158 HydrophobicContact CG-CE1 3.32Å; P73-F158 HydrophobicContact CG-CZ 4.31Å; C156-F158 WeakPolarHBondContact CB-O 3.37Å; C156-F158 PolarHBondContact O-N 2.91Å; C156-F158 VanDerWaalsContact O-N 3.12Å; C156-F158 WeakPolarHBondContact SG-CD1 3.42Å; C156-F158 WeakPolarHBondContact SG-CE1 3.18Å; C156-F158 PolarHBondContact SG-O 3.27Å; C156-F158 VanDerWaalsContact SG-O 3.38Å; F158-D160 PolarHBondContact O-N 2.78Å
159S87.1Confident88.9Confident42 Ų4264 Ų6429%0.29433%0.332SS..  trans-73.9126.1179.6-37.90000110.4V161 E269S159-V161 PolarHBondContact O-N 2.84Å; S159-V161 VanDerWaalsContact O-N 3.13Å; S159-E269 PolarHBondContact OG-OE1 3.43Å
160D88.4Confident87.9Confident58 Ų5867.6 Ų67.631%0.3135%0.354SS..  trans-72.5106170.4-177.8-0.3000108.3F158 P200 R201 T204F158-D160 PolarHBondContact O-N 2.78Å; D160-P200 CarbonylContact O-C 3.49Å; D160-P200 WeakPolarHBondContact O-CA 3.33Å; D160-R201 HydrophobicContact CB-CB 4.39Å; D160-R201 PolarHBondContact O-N 3.46Å; D160-R201 IonicContact OD1-CZ 2.7Å; D160-R201 IonicContact OD1-NE 3.4Å; D160-R201 IonicContact OD1-NH2 2.81Å; D160-R201 PolarHBondContact OD1-NH2 3.39Å; D160-R201 WeakPolarHBondContact OD2-CD 3.46Å; D160-R201 IonicContact OD2-CZ 3.16Å; D160-R201 IonicContact OD2-NE 3.88Å; D160-R201 PolarHBondContact OD2-NE 3.1Å; D160-R201 IonicContact OD2-NH2 3.29Å; D160-T204 HydrophobicContact CB-CG2 4.39Å
161V90.1Very high87Confident60 Ų6074.6 Ų74.636%0.36439%0.385SS..EExtended strand (participates in β ladder)trans-113.2139.3-174.6-69.10000111.8S159 M198 K199S159-V161 PolarHBondContact O-N 2.84Å; S159-V161 VanDerWaalsContact O-N 3.13Å; V161-M198 HydrophobicContact CB-CB 4.09Å; V161-M198 HydrophobicContact CB-CE 4.2Å; V161-M198 HydrophobicContact CG2-CB 4.32Å; V161-M198 HydrophobicContact CG2-CE 3.63Å; V161-K199 CarbonylContact C-O 3.51Å; V161-K199 WeakPolarHBondContact CA-O 3.2Å
162L90.9Very high86.2Confident59 Ų5970 Ų7031%0.30936%0.364SS..EExtended strand (participates in β ladder)trans-113.2141.5175.8-67.1177000109.9V164 M198 K199 R201L162-V164 PolarHBondContact O-N 3.1Å; L162-M198 WeakPolarHBondContact O-CA 3.49Å; L162-K199 PolarHBondContact N-O 2.9Å; L162-K199 PolarHBondContact O-N 2.99Å; L162-R201 HydrophobicContact CD1-CB 4.12Å; L162-R201 HydrophobicContact CD1-CG 4.07Å; L162-R201 VanDerWaalsContact CD2-NH2 3.29Å; L162-R201 HydrophobicContact CG-CB 4.28Å
163P89Confident85.3Confident53 Ų5368.8 Ų68.834%0.34436%0.355SS..EExtended strand (participates in β ladder)trans-64.4134.1172.628.6-34.4000109.8L165 E197 M198P163-L165 PolarHBondContact O-N 3.44Å; P163-E197 WeakPolarHBondContact CA-O 3.2Å; P163-M198 VanDerWaalsContact CA-SD 3.58Å; P163-M198 HydrophobicContact CB-SD 3.84Å
164V87.3Confident84.3Confident60 Ų6067.1 Ų67.136%0.36436%0.357SS..SBendtrans-60-41174.1175.90000109.9L162 E197 K199L162-V164 PolarHBondContact O-N 3.1Å; V164-E197 HydrophobicContact CB-CB 4.3Å; V164-E197 HydrophobicContact CB-CG 4.49Å; V164-E197 HydrophobicContact CG2-CB 4.09Å; V164-E197 HydrophobicContact CG2-CG 3.82Å; V164-E197 PolarHBondContact N-O 3.36Å; V164-K199 HydrophobicContact CG2-CB 4.09Å; V164-K199 HydrophobicContact CG2-CD 4.16Å; V164-K199 HydrophobicContact CG2-CG 4.02Å
165L82.9Confident83.2Confident89 Ų8969.9 Ų69.947%0.46639%0.389SS..SBendtrans-108.8111.9175.4-64.2170.7000109.5P163 M167 Q176P163-L165 PolarHBondContact O-N 3.44Å; L165-M167 HydrophobicContact CB-CE 3.79Å; L165-M167 HydrophobicContact CD1-CE 4.35Å; L165-M167 PolarHBondContact O-N 2.9Å; L165-Q176 VanDerWaalsContact CD1-OE1 3.31Å
166S80.3Confident82Confident84 Ų8473.3 Ų73.359%0.58741%0.405SS*.  trans-71.495.5179.4-169.20000110.7
167M76.1Confident81Confident48 Ų4879.4 Ų79.424%0.23644%0.436CS..  trans-11397.5176.2-67.1-176.2-105.200109.1L165 D172 R173 Q176 L178L165-M167 HydrophobicContact CB-CE 3.79Å; L165-M167 HydrophobicContact CD1-CE 4.35Å; L165-M167 PolarHBondContact O-N 2.9Å; M167-D172 HydrophobicContact CB-CB 4.19Å; M167-D172 HydrophobicContact CG-CB 4.16Å; M167-R173 HydrophobicContact SD-CB 4.48Å; M167-R173 HydrophobicContact SD-CG 3.78Å; M167-Q176 VanDerWaalsContact CE-OE1 3.31Å; M167-Q176 PolarHBondContact SD-OE1 2.98Å; M167-L178 HydrophobicContact CE-CD1 3.48Å; M167-L178 VanDerWaalsContact CE-CD1 3.48Å; M167-L178 HydrophobicContact SD-CD1 3.61Å
168K76.4Confident80Confident172 Ų17280.6 Ų80.675%0.74844%0.439SS*.  trans-89-25.4-179.5-68.4-173.7178.6-177.50112.2D172K168-D172 PolarHBondContact N-OD2 3.36Å
169H77.5Confident79.1Confident113 Ų11377.3 Ų77.352%0.52343%0.428SS..SBendtrans-127.9152.4-174.8-58.9-68.3000111.9K171 D172H169-K171 HydrophobicContact CB-CD 4.45Å; H169-K171 HydrophobicContact CB-CG 3.81Å; H169-K171 PolarHBondContact O-N 2.91Å; H169-K171 VanDerWaalsContact O-N 3.09Å; H169-D172 IonicContact CD2-OD2 3.96Å; H169-D172 PolarHBondContact N-OD2 2.92Å; H169-D172 WeakPolarHBondContact O-CB 3.35Å; H169-D172 PolarHBondContact O-N 2.83Å
170T73.1Confident78.3Confident80 Ų8083.6 Ų83.649%0.49145%0.446SS..Hα-helixtrans-56.1-29.8176.7-46.70000113D172 R173T170-D172 VanDerWaalsContact C-N 3.29Å; T170-D172 PolarHBondContact O-N 3.04Å; T170-R173 WeakPolarHBondContact O-CB 3.47Å; T170-R173 PolarHBondContact O-N 2.93Å
171K77.7Confident77.2Confident149 Ų14985.9 Ų85.965%0.64847%0.465SS*.Hα-helixtrans-65.6-30.1175.965.5179.6-178.6176.50113.1H169 R173 V174 G175H169-K171 HydrophobicContact CB-CD 4.45Å; H169-K171 HydrophobicContact CB-CG 3.81Å; H169-K171 PolarHBondContact O-N 2.91Å; H169-K171 VanDerWaalsContact O-N 3.09Å; K171-R173 PolarHBondContact O-N 3.42Å; K171-V174 WeakPolarHBondContact O-CB 3.28Å; K171-V174 PolarHBondContact O-N 3.05Å; K171-G175 PolarHBondContact O-N 3.41Å
172D77.3Confident76.3Confident44 Ų4486.8 Ų86.824%0.23549%0.487CS..Hα-helixtrans-68.2-31.5-178-52.5-24.4000110.2M167 K168 H169 T170 G175 Q176M167-D172 HydrophobicContact CB-CB 4.19Å; M167-D172 HydrophobicContact CG-CB 4.16Å; K168-D172 PolarHBondContact N-OD2 3.36Å; H169-D172 IonicContact CD2-OD2 3.96Å; H169-D172 PolarHBondContact N-OD2 2.92Å; H169-D172 WeakPolarHBondContact O-CB 3.35Å; H169-D172 PolarHBondContact O-N 2.83Å; T170-D172 VanDerWaalsContact C-N 3.29Å; T170-D172 PolarHBondContact O-N 3.04Å; D172-G175 PolarHBondContact O-N 3.27Å; D172-Q176 WeakPolarHBondContact O-CG 3.29Å; D172-Q176 PolarHBondContact O-N 2.75Å
173R74.6Confident75.7Confident37 Ų3787.6 Ų87.614%0.1449%0.494CS..Hα-helixtrans-63.6-41.1173.7-60.9-176.468.784.5-3.2112.1M167 T170 K171 G175 Q176 N177 L178 P179M167-R173 HydrophobicContact SD-CB 4.48Å; M167-R173 HydrophobicContact SD-CG 3.78Å; T170-R173 WeakPolarHBondContact O-CB 3.47Å; T170-R173 PolarHBondContact O-N 2.93Å; K171-R173 PolarHBondContact O-N 3.42Å; R173-G175 VanDerWaalsContact C-N 3.32Å; R173-G175 PolarHBondContact O-N 3.29Å; R173-Q176 CarbonylContact O-C 3.52Å; R173-Q176 PolarHBondContact O-N 2.92Å; R173-Q176 VanDerWaalsContact O-N 3.12Å; R173-N177 PolarHBondContact O-N 3.33Å; R173-L178 HydrophobicContact CB-CB 4.07Å; R173-L178 WeakPolarHBondContact O-CB 3.36Å; R173-L178 PolarHBondContact O-N 3.04Å; R173-P179 PolarHBondContact NE-O 3.28Å; R173-P179 PolarHBondContact NH2-O 3.33Å
174V73.1Confident75.3Confident78 Ų7893.3 Ų93.347%0.47352%0.516SS..Hα-helixtrans-63.4-41.8177.9-178.20000110.3K171 Q176 N177 R180K171-V174 WeakPolarHBondContact O-CB 3.28Å; K171-V174 PolarHBondContact O-N 3.05Å; V174-Q176 PolarHBondContact O-N 2.62Å; V174-N177 PolarHBondContact O-N 2.94Å; V174-N177 VanDerWaalsContact O-N 3.16Å; V174-R180 HydrophobicContact CG2-CG 4.48Å
175G72.3Confident75.2Confident70 Ų7093.5 Ų93.572%0.72252%0.52SS*.Hα-helixtrans-64.4-20.3175.800000114.3K171 D172 R173K171-G175 PolarHBondContact O-N 3.41Å; D172-G175 PolarHBondContact O-N 3.27Å; R173-G175 VanDerWaalsContact C-N 3.32Å; R173-G175 PolarHBondContact O-N 3.29Å
176Q70.8Confident75.4Confident74 Ų7498.6 Ų98.635%0.34654%0.538SS..THydrogen-bonded Turntrans-102.814.8177.1-64.8-170.3600113.3L165 M167 D172 R173 V174 L178L165-Q176 VanDerWaalsContact CD1-OE1 3.31Å; M167-Q176 VanDerWaalsContact CE-OE1 3.31Å; M167-Q176 PolarHBondContact SD-OE1 2.98Å; D172-Q176 WeakPolarHBondContact O-CG 3.29Å; D172-Q176 PolarHBondContact O-N 2.75Å; R173-Q176 CarbonylContact O-C 3.52Å; R173-Q176 PolarHBondContact O-N 2.92Å; R173-Q176 VanDerWaalsContact O-N 3.12Å; V174-Q176 PolarHBondContact O-N 2.62Å; Q176-L178 HydrophobicContact CB-CD1 4.13Å; Q176-L178 HydrophobicContact CB-CG 4.29Å; Q176-L178 PolarHBondContact O-N 3.12Å; Q176-L178 VanDerWaalsContact O-N 3.16Å
177N72.9Confident75.8Confident157 Ų15797.4 Ų97.484%0.8453%0.53SS*.THydrogen-bonded Turntrans56.624.9-176.5-60.8-49.3000114.2R173 V174R173-N177 PolarHBondContact O-N 3.33Å; V174-N177 PolarHBondContact O-N 2.94Å; V174-N177 VanDerWaalsContact O-N 3.16Å
178L72.7Confident76.2Confident51 Ų51104 Ų10427%0.26755%0.553SS.*PPolyproline II helixtrans-91.3144.4177.4-68.9168.8000110.8M167 R173 Q176M167-L178 HydrophobicContact CE-CD1 3.48Å; M167-L178 VanDerWaalsContact CE-CD1 3.48Å; M167-L178 HydrophobicContact SD-CD1 3.61Å; R173-L178 HydrophobicContact CB-CB 4.07Å; R173-L178 WeakPolarHBondContact O-CB 3.36Å; R173-L178 PolarHBondContact O-N 3.04Å; Q176-L178 HydrophobicContact CB-CD1 4.13Å; Q176-L178 HydrophobicContact CB-CG 4.29Å; Q176-L178 PolarHBondContact O-N 3.12Å; Q176-L178 VanDerWaalsContact O-N 3.16Å
179P71.1Confident76.7Confident45 Ų45103.2 Ų103.229%0.29255%0.552SS.*PPolyproline II helixtrans-56.8146.7174.3-22.932.6000111.8R173 R194R173-P179 PolarHBondContact NE-O 3.28Å; R173-P179 PolarHBondContact NH2-O 3.33Å; P179-R194 HydrophobicContact CG-CG 4.35Å
180R69.9Low77.1Confident174 Ų174100.5 Ų100.566%0.65754%0.54SS*.PPolyproline II helixtrans-59.3148.1173.6-72.2-173.4177.6-172.10.8110.5V174 G182 T183V174-R180 HydrophobicContact CG2-CG 4.48Å; R180-G182 PolarHBondContact O-N 3.14Å; R180-T183 PolarHBondContact O-N 2.9Å; R180-T183 PolarHBondContact O-OG1 2.65Å
181C65.8Low77.6Confident106 Ų10697.6 Ų97.672%0.71653%0.526SS*.THydrogen-bonded Turntrans-62.1131171.9-153.60000108.9
182G69.8Low77.9Confident79 Ų7994.4 Ų94.481%0.81452%0.515SS*.THydrogen-bonded Turntrans98.8-3.6-178.900000116.1R180R180-G182 PolarHBondContact O-N 3.14Å
183T78.4Confident78.1Confident76 Ų7696.2 Ų96.247%0.46654%0.536SS..PPolyproline II helixtrans-73.7128.1167.3-52.80000109.2R180 R194R180-T183 PolarHBondContact O-N 2.9Å; R180-T183 PolarHBondContact O-OG1 2.65Å; T183-R194 PolarHBondContact O-NH1 3.31Å
184E81.8Confident78.4Confident174 Ų17496.1 Ų96.181%0.81354%0.536SS*.PPolyproline II helixtrans-57.9144.1174.2-71.7-178.316800111.4R194E184-R194 PolarHBondContact O-NH1 3.15Å; E184-R194 PolarHBondContact O-NH2 2.93Å; E184-R194 VanDerWaalsContact O-NH2 3.15Å
185C84Confident78.8Confident64 Ų6497.7 Ų97.743%0.43254%0.541SS..PPolyproline II helixtrans-83.4133.2172.7-590000108S187 R194C185-S187 VanDerWaalsContact C-N 3.31Å; C185-R194 PolarHBondContact SG-NH1 3.08Å; C185-R194 VanDerWaalsContact SG-NH1 3.35Å
186K87.5Confident79.3Confident196 Ų19697.7 Ų97.785%0.85253%0.529SS*.SBendtrans-80.7-17.9177.3-59.4178.5179.2178.40111.8E190K186-E190 WeakPolarHBondContact CA-OE2 3.4Å; K186-E190 VanDerWaalsContact CB-OE2 3.31Å; K186-E190 WeakPolarHBondContact CB-OE2 3.5Å; K186-E190 PolarHBondContact N-OE2 3.08Å
187S88.9Confident80Confident59 Ų59101 Ų10141%0.41354%0.544SS..SBendtrans-150.3164175.675.60000112.1C185 E190 G191C185-S187 VanDerWaalsContact C-N 3.31Å; S187-E190 PolarHBondContact O-N 3.36Å; S187-E190 WeakPolarHBondContact OG-CB 3.42Å; S187-E190 PolarHBondContact OG-N 2.9Å; S187-E190 VanDerWaalsContact OG-N 3.14Å; S187-G191 PolarHBondContact O-N 3.35Å
188Y85.6Confident80.8Confident186 Ų18697.9 Ų97.973%0.72953%0.525SS*.Hα-helixtrans-62.8-42.2174.2179.8-108.1000112.6E190 G191 L192Y188-E190 VanDerWaalsContact C-N 3.3Å; Y188-E190 PolarHBondContact O-N 3.3Å; Y188-G191 WeakPolarHBondContact O-CA 3.2Å; Y188-G191 PolarHBondContact O-N 3.43Å; Y188-L192 HydrophobicContact CD1-CD1 3.95Å; Y188-L192 HydrophobicContact CD1-CG 4.38Å; Y188-L192 HydrophobicContact CE1-CD1 3.36Å; Y188-L192 HydrophobicContact CE1-CG 3.94Å; Y188-L192 HydrophobicContact CE2-CG 4.39Å; Y188-L192 PolarHBondContact O-N 2.84Å
189Q86.9Confident81.7Confident156 Ų156100.9 Ų100.973%0.72954%0.536SS*.Hα-helixtrans-60.6-40.4176.6-72.8176.5-20.700111.9G191 L192 A193Q189-G191 VanDerWaalsContact C-N 3.32Å; Q189-L192 PolarHBondContact O-N 3.23Å; Q189-A193 WeakPolarHBondContact O-CB 3.23Å; Q189-A193 PolarHBondContact O-N 3.37Å
190E84.3Confident82.6Confident55 Ų55102.1 Ų102.126%0.25754%0.544SS..Hα-helixtrans-64.9-39.7174.2-173.3-175.5-170.200111.1K186 S187 Y188 A193 R194K186-E190 WeakPolarHBondContact CA-OE2 3.4Å; K186-E190 VanDerWaalsContact CB-OE2 3.31Å; K186-E190 WeakPolarHBondContact CB-OE2 3.5Å; K186-E190 PolarHBondContact N-OE2 3.08Å; S187-E190 PolarHBondContact O-N 3.36Å; S187-E190 WeakPolarHBondContact OG-CB 3.42Å; S187-E190 PolarHBondContact OG-N 2.9Å; S187-E190 VanDerWaalsContact OG-N 3.14Å; Y188-E190 VanDerWaalsContact C-N 3.3Å; Y188-E190 PolarHBondContact O-N 3.3Å; E190-A193 PolarHBondContact O-N 3.06Å; E190-R194 VanDerWaalsContact CD-NH2 3.31Å; E190-R194 WeakPolarHBondContact O-CB 3.37Å; E190-R194 WeakPolarHBondContact O-CD 3.47Å; E190-R194 WeakPolarHBondContact O-CG 3.49Å; E190-R194 PolarHBondContact O-N 3.4Å; E190-R194 VanDerWaalsContact O-N 3.08Å; E190-R194 IonicContact OE1-CZ 3.3Å; E190-R194 VanDerWaalsContact OE1-CZ 3.3Å; E190-R194 IonicContact OE1-NE 3.38Å; E190-R194 PolarHBondContact OE1-NE 3.41Å; E190-R194 IonicContact OE1-NH2 2.64Å; E190-R194 PolarHBondContact OE1-NH2 3.17Å; E190-R194 IonicContact OE2-NH2 3.79Å
191G84.3Confident83.8Confident19 Ų1998.8 Ų98.820%0.19653%0.532CS..Hα-helixtrans-57.7-50.2173.600000112.5S187 Y188 Q189 A193 R194 L195S187-G191 PolarHBondContact O-N 3.35Å; Y188-G191 WeakPolarHBondContact O-CA 3.2Å; Y188-G191 PolarHBondContact O-N 3.43Å; Q189-G191 VanDerWaalsContact C-N 3.32Å; G191-A193 PolarHBondContact O-N 3.36Å; G191-R194 PolarHBondContact O-N 2.82Å; G191-L195 PolarHBondContact O-N 2.98Å
192L83.9Confident85.1Confident83 Ų8397.8 Ų97.844%0.43553%0.531SS..Hα-helixtrans-60.4-45.1176.6-71.9178.6000112.2Y188 Q189 R194 L195Y188-L192 HydrophobicContact CD1-CD1 3.95Å; Y188-L192 HydrophobicContact CD1-CG 4.38Å; Y188-L192 HydrophobicContact CE1-CD1 3.36Å; Y188-L192 HydrophobicContact CE1-CG 3.94Å; Y188-L192 HydrophobicContact CE2-CG 4.39Å; Y188-L192 PolarHBondContact O-N 2.84Å; Q189-L192 PolarHBondContact O-N 3.23Å; L192-R194 PolarHBondContact O-N 3.28Å; L192-L195 HydrophobicContact CD2-CD1 4.05Å; L192-L195 WeakPolarHBondContact O-CB 3.42Å; L192-L195 PolarHBondContact O-N 2.86Å
193A81.9Confident86.2Confident82 Ų8294.4 Ų94.468%0.67850%0.496SS*.Hα-helixtrans-65.6-20178.900000113.7Q189 E190 G191Q189-A193 WeakPolarHBondContact O-CB 3.23Å; Q189-A193 PolarHBondContact O-N 3.37Å; E190-A193 PolarHBondContact O-N 3.06Å; G191-A193 PolarHBondContact O-N 3.36Å
194R80.2Confident87Confident35 Ų3592 Ų9213%0.13248%0.482CS..Hα-helixtrans-87.6-14.8177.4-74.1170178-161.98.1113.6P179 T183 E184 C185 E190 G191 L192P179-R194 HydrophobicContact CG-CG 4.35Å; T183-R194 PolarHBondContact O-NH1 3.31Å; E184-R194 PolarHBondContact O-NH1 3.15Å; E184-R194 PolarHBondContact O-NH2 2.93Å; E184-R194 VanDerWaalsContact O-NH2 3.15Å; C185-R194 PolarHBondContact SG-NH1 3.08Å; C185-R194 VanDerWaalsContact SG-NH1 3.35Å; E190-R194 VanDerWaalsContact CD-NH2 3.31Å; E190-R194 WeakPolarHBondContact O-CB 3.37Å; E190-R194 WeakPolarHBondContact O-CD 3.47Å; E190-R194 WeakPolarHBondContact O-CG 3.49Å; E190-R194 PolarHBondContact O-N 3.4Å; E190-R194 VanDerWaalsContact O-N 3.08Å; E190-R194 IonicContact OE1-CZ 3.3Å; E190-R194 VanDerWaalsContact OE1-CZ 3.3Å; E190-R194 IonicContact OE1-NE 3.38Å; E190-R194 PolarHBondContact OE1-NE 3.41Å; E190-R194 IonicContact OE1-NH2 2.64Å; E190-R194 PolarHBondContact OE1-NH2 3.17Å; E190-R194 IonicContact OE2-NH2 3.79Å; G191-R194 PolarHBondContact O-N 2.82Å; L192-R194 PolarHBondContact O-N 3.28Å
195L81.6Confident87.6Confident111 Ų11187 Ų8758%0.58146%0.458SS*.SBendtrans-65.7141.4177.6-68.4174.8000110G191 L192 E197G191-L195 PolarHBondContact O-N 2.98Å; L192-L195 HydrophobicContact CD2-CD1 4.05Å; L192-L195 WeakPolarHBondContact O-CB 3.42Å; L192-L195 PolarHBondContact O-N 2.86Å; L195-E197 PolarHBondContact O-N 2.95Å
196P82.6Confident88.1Confident70 Ų7085 Ų8546%0.45544%0.443SS..PPolyproline II helixtrans-59.4130.9172-21.132.8000110.4M198P196-M198 HydrophobicContact CB-SD 4.19Å; P196-M198 PolarHBondContact O-N 3.29Å
197E86.7Confident88.6Confident142 Ų14279.2 Ų79.266%0.66442%0.416SS*.PPolyproline II helixtrans-70.9123.7168-167.4179.5-173.600108.6P163 V164 L195P163-E197 WeakPolarHBondContact CA-O 3.2Å; V164-E197 HydrophobicContact CB-CB 4.3Å; V164-E197 HydrophobicContact CB-CG 4.49Å; V164-E197 HydrophobicContact CG2-CB 4.09Å; V164-E197 HydrophobicContact CG2-CG 3.82Å; V164-E197 PolarHBondContact N-O 3.36Å; L195-E197 PolarHBondContact O-N 2.95Å
198M89.1Confident89Confident92 Ų9278.2 Ų78.245%0.45340%0.404SS..EExtended strand (participates in β ladder)trans-112.7137.8-177.5-59-64.6-82.400108.7V161 L162 P163 P196V161-M198 HydrophobicContact CB-CB 4.09Å; V161-M198 HydrophobicContact CB-CE 4.2Å; V161-M198 HydrophobicContact CG2-CB 4.32Å; V161-M198 HydrophobicContact CG2-CE 3.63Å; L162-M198 WeakPolarHBondContact O-CA 3.49Å; P163-M198 VanDerWaalsContact CA-SD 3.58Å; P163-M198 HydrophobicContact CB-SD 3.84Å; P196-M198 HydrophobicContact CB-SD 4.19Å; P196-M198 PolarHBondContact O-N 3.29Å
199K91.3Very high89.4Confident115 Ų11569.7 Ų69.750%0.537%0.371SS..EExtended strand (participates in β ladder)trans-121.7145.1173.563.1175.4-179.6-179.40110.4V161 L162 V164V161-K199 CarbonylContact C-O 3.51Å; V161-K199 WeakPolarHBondContact CA-O 3.2Å; L162-K199 PolarHBondContact N-O 2.9Å; L162-K199 PolarHBondContact O-N 2.99Å; V164-K199 HydrophobicContact CG2-CB 4.09Å; V164-K199 HydrophobicContact CG2-CD 4.16Å; V164-K199 HydrophobicContact CG2-CG 4.02Å
200P90.9Very high89.8Confident70 Ų7069.3 Ų69.346%0.45537%0.37SS..EExtended strand (participates in β ladder)trans-55.1142.9171.5-24.934.7000111.7D160 A202D160-P200 CarbonylContact O-C 3.49Å; D160-P200 WeakPolarHBondContact O-CA 3.33Å; P200-A202 PolarHBondContact O-N 3.37Å
201R93.6Very high90.3Very high104 Ų10467.6 Ų67.639%0.39236%0.362SS..PPolyproline II helixtrans-70.6122.5171-179.9-171.3-56-87.8-1.8108.3D160 L162 G203 T204D160-R201 HydrophobicContact CB-CB 4.39Å; D160-R201 PolarHBondContact O-N 3.46Å; D160-R201 IonicContact OD1-CZ 2.7Å; D160-R201 IonicContact OD1-NE 3.4Å; D160-R201 IonicContact OD1-NH2 2.81Å; D160-R201 PolarHBondContact OD1-NH2 3.39Å; D160-R201 WeakPolarHBondContact OD2-CD 3.46Å; D160-R201 IonicContact OD2-CZ 3.16Å; D160-R201 IonicContact OD2-NE 3.88Å; D160-R201 PolarHBondContact OD2-NE 3.1Å; D160-R201 IonicContact OD2-NH2 3.29Å; L162-R201 HydrophobicContact CD1-CB 4.12Å; L162-R201 HydrophobicContact CD1-CG 4.07Å; L162-R201 VanDerWaalsContact CD2-NH2 3.29Å; L162-R201 HydrophobicContact CG-CB 4.28Å; R201-G203 PolarHBondContact O-N 3.21Å; R201-T204 HydrophobicContact CB-CG2 4.01Å; R201-T204 HydrophobicContact CG-CG2 4.02Å; R201-T204 WeakPolarHBondContact O-CB 3.38Å; R201-T204 PolarHBondContact O-N 3.37Å; R201-T204 VanDerWaalsContact O-N 3.15Å; R201-T204 PolarHBondContact O-OG1 3.06Å
202A93.4Very high90.6Very high86 Ų8668 Ų6871%0.71136%0.361SS*.THydrogen-bonded Turntrans-52.3135.1176.600000112.1P200 T204 E205P200-A202 PolarHBondContact O-N 3.37Å; A202-T204 VanDerWaalsContact C-N 3.33Å; A202-E205 WeakPolarHBondContact CA-OE2 3.49Å
203G93.8Very high90.7Very high7 Ų770.7 Ų70.77%0.07238%0.381CS..THydrogen-bonded Turntrans84.81.3-179.900000114.7E151 N152 R201 E205E151-G203 PolarHBondContact N-O 3.38Å; E151-G203 VanDerWaalsContact N-O 3.08Å; N152-G203 PolarHBondContact N-O 3.38Å; N152-G203 VanDerWaalsContact N-O 3.08Å; N152-G203 PolarHBondContact OD1-O 3.11Å; R201-G203 PolarHBondContact O-N 3.21Å; G203-E205 PolarHBondContact N-OE1 3.35Å; G203-E205 PolarHBondContact N-OE2 3.1Å
204T94Very high91Very high27 Ų2771 Ų7117%0.16637%0.369CS..SBendtrans-107.8-16.5175.9700000113P150 D160 R201 A202P150-T204 VanDerWaalsContact CG-O 3.31Å; P150-T204 WeakPolarHBondContact CG-O 3.23Å; D160-T204 HydrophobicContact CB-CG2 4.39Å; R201-T204 HydrophobicContact CB-CG2 4.01Å; R201-T204 HydrophobicContact CG-CG2 4.02Å; R201-T204 WeakPolarHBondContact O-CB 3.38Å; R201-T204 PolarHBondContact O-N 3.37Å; R201-T204 VanDerWaalsContact O-N 3.15Å; R201-T204 PolarHBondContact O-OG1 3.06Å; A202-T204 VanDerWaalsContact C-N 3.33Å
205E94.3Very high91.5Very high68 Ų6871.8 Ų71.832%0.31837%0.374SS..SBendtrans-73.7141.9179.466.4-79-171.200112.4P150 A202 G203 R207P150-E205 WeakPolarHBondContact CA-O 3.33Å; P150-E205 WeakPolarHBondContact CG-O 3.34Å; A202-E205 WeakPolarHBondContact CA-OE2 3.49Å; G203-E205 PolarHBondContact N-OE1 3.35Å; G203-E205 PolarHBondContact N-OE2 3.1Å; E205-R207 PolarHBondContact O-N 3.41Å
206I96.4Very high92Very high21 Ų2169.1 Ų69.111%0.10836%0.358CS..  trans-69.6127.6166.2-57.5177.3000107.6L148 P150 I155 F208 F257 C261 V267L148-I206 VanDerWaalsContact O-CG2 3.28Å; L148-I206 WeakPolarHBondContact O-CG2 3.31Å; P150-I206 HydrophobicContact CG-CG1 4.21Å; I155-I206 HydrophobicContact CG2-CD1 4.07Å; I206-F208 HydrophobicContact CB-CD2 4.06Å; I206-F208 HydrophobicContact CB-CE2 3.83Å; I206-F208 HydrophobicContact CB-CZ 4.28Å; I206-F208 HydrophobicContact CD1-CE2 4.09Å; I206-F208 HydrophobicContact CD1-CZ 4.16Å; I206-F208 HydrophobicContact CG2-CD1 3.96Å; I206-F208 HydrophobicContact CG2-CD2 3.74Å; I206-F208 HydrophobicContact CG2-CE1 3.74Å; I206-F208 HydrophobicContact CG2-CE2 3.51Å; I206-F208 HydrophobicContact CG2-CG 3.97Å; I206-F208 HydrophobicContact CG2-CZ 3.51Å; I206-F208 PolarHBondContact O-N 3.01Å; I206-F257 HydrophobicContact CG2-CE1 3.73Å; I206-C261 HydrophobicContact CD1-CB 4.29Å; I206-V267 HydrophobicContact CD1-CG1 4.12Å
207R96.4Very high92.4Very high76 Ų7667.5 Ų67.529%0.28735%0.348SS..  trans-86.755.9-174.2-61.4-170.8-66.5-99.23112.1E146 K147 L148 Q149 P150 E205E146-R207 PolarHBondContact O-NH2 2.92Å; K147-R207 WeakPolarHBondContact O-CB 3.34Å; K147-R207 PolarHBondContact O-NE 2.53Å; L148-R207 WeakPolarHBondContact CD2-O 3.46Å; L148-R207 PolarHBondContact O-N 3.24Å; Q149-R207 PolarHBondContact O-NE 3.18Å; Q149-R207 PolarHBondContact O-NH1 3.33Å; Q149-R207 PolarHBondContact O-NH2 3.4Å; P150-R207 VanDerWaalsContact C-NH1 3.29Å; E205-R207 PolarHBondContact O-N 3.41Å
208F96.9Very high92.7Very high38 Ų3865.2 Ų65.217%0.16735%0.353CS..  trans-59.5152.9175.1-71.1-55.2000112.3L148 I206 E210 E254 F257 A258 A270 H273L148-F208 HydrophobicContact CD2-CD1 4.46Å; I206-F208 HydrophobicContact CB-CD2 4.06Å; I206-F208 HydrophobicContact CB-CE2 3.83Å; I206-F208 HydrophobicContact CB-CZ 4.28Å; I206-F208 HydrophobicContact CD1-CE2 4.09Å; I206-F208 HydrophobicContact CD1-CZ 4.16Å; I206-F208 HydrophobicContact CG2-CD1 3.96Å; I206-F208 HydrophobicContact CG2-CD2 3.74Å; I206-F208 HydrophobicContact CG2-CE1 3.74Å; I206-F208 HydrophobicContact CG2-CE2 3.51Å; I206-F208 HydrophobicContact CG2-CG 3.97Å; I206-F208 HydrophobicContact CG2-CZ 3.51Å; I206-F208 PolarHBondContact O-N 3.01Å; F208-E210 PolarHBondContact O-N 2.8Å; F208-E254 HydrophobicContact CD1-CG 4.15Å; F208-F257 AromaticContact CE1-CD1 3.93Å; F208-F257 HydrophobicContact CE1-CD1 3.93Å; F208-F257 HydrophobicContact CE1-CE1 4.36Å; F208-F257 HydrophobicContact CZ-CD1 4.44Å; F208-A258 HydrophobicContact CE1-CB 3.69Å; F208-A258 HydrophobicContact CZ-CB 3.88Å; F208-A270 HydrophobicContact CE2-CB 4.14Å; F208-A270 HydrophobicContact CZ-CB 3.86Å; F208-H273 AromaticContact CD1-CD2 3.21Å; F208-H273 WeakPolarHBondContact CD1-CD2 3.37Å; F208-H273 AromaticContact CD1-CG 3.93Å; F208-H273 AromaticContact CD1-NE2 3.55Å; F208-H273 HydrophobicContact CD2-CB 3.92Å; F208-H273 AromaticContact CD2-CD2 3.99Å; F208-H273 AromaticContact CD2-CG 3.86Å; F208-H273 AromaticContact CE1-CD2 3.63Å; F208-H273 HydrophobicContact CE2-CB 3.99Å; F208-H273 HydrophobicContact CG-CB 4.24Å; F208-H273 AromaticContact CG-CD2 3.42Å; F208-H273 VanDerWaalsContact CG-CD2 3.42Å; F208-H273 WeakPolarHBondContact CG-CD2 3.45Å; F208-H273 AromaticContact CG-CG 3.67Å; F208-H273 AromaticContact CG-NE2 3.71Å; F208-H273 HydrophobicContact CZ-CB 4.36Å
209S96Very high92.8Very high6 Ų664.8 Ų64.84%0.04237%0.372CS..  trans-65.8131.2173.8-67.70000110.3L211 E254 H273S209-L211 PolarHBondContact O-N 2.95Å; S209-L211 VanDerWaalsContact O-N 3.1Å; S209-E254 VanDerWaalsContact CB-OE1 3.23Å; S209-E254 WeakPolarHBondContact CB-OE1 3.29Å; S209-E254 WeakPolarHBondContact CB-OE2 3.46Å; S209-E254 PolarHBondContact N-OE1 2.93Å; S209-E254 PolarHBondContact OG-OE1 3.21Å; S209-E254 PolarHBondContact OG-OE2 3.45Å; S209-H273 PolarHBondContact O-CE1 3.39Å
210E94Very high92.9Very high149 Ų14960.2 Ų60.270%0.69636%0.356SS*.  trans-62.7114.9173.1-67.9-179.8167.100110.8F208 K242F208-E210 PolarHBondContact O-N 2.8Å; E210-K242 IonicContact OE2-NZ 2.72Å
211L94.2Very high93.2Very high19 Ų1960.1 Ų60.110%0.09935%0.354CS..  trans-81.4137.4173.6-57.3179.7000109.9S209 T213 V239 R276 L277 L280S209-L211 PolarHBondContact O-N 2.95Å; S209-L211 VanDerWaalsContact O-N 3.1Å; L211-T213 PolarHBondContact O-N 2.85Å; L211-V239 HydrophobicContact CD2-CG2 4.32Å; L211-R276 HydrophobicContact CD1-CB 3.46Å; L211-R276 VanDerWaalsContact CD1-CB 3.46Å; L211-L277 HydrophobicContact CD1-CB 4.33Å; L211-L277 HydrophobicContact CD2-CD1 4.08Å; L211-L280 HydrophobicContact CD2-CD2 4.13Å
212P91.1Very high93.2Very high27 Ų2760.2 Ų60.218%0.17537%0.368CS..  trans-53.3140.4-179.7-25.832.7000111.5M215 A235 V239P212-M215 HydrophobicContact CB-CE 4.43Å; P212-M215 WeakPolarHBondContact O-CE 3.48Å; P212-A235 HydrophobicContact CB-CB 4.46Å; P212-A235 HydrophobicContact CG-CB 4.27Å; P212-V239 HydrophobicContact CG-CG2 3.8Å
213T87.4Confident93.2Very high139 Ų13959.7 Ų59.785%0.85336%0.364SS*.SBendtrans-89.7-32.716750.40000110.9L211L211-T213 PolarHBondContact O-N 2.85Å
214Q86.5Confident93.2Very high90 Ų9063.3 Ų63.342%0.42138%0.379SS..  trans-97.1118.7173.5-167.3179.1-54.500109.9F216 P217Q214-F216 VanDerWaalsContact C-N 3.31Å; Q214-F216 HydrophobicContact CG-CD1 4.34Å; Q214-F216 HydrophobicContact CG-CD2 3.77Å; Q214-F216 HydrophobicContact CG-CE1 4.17Å; Q214-F216 HydrophobicContact CG-CE2 3.57Å; Q214-F216 HydrophobicContact CG-CG 4.15Å; Q214-F216 HydrophobicContact CG-CZ 3.79Å; Q214-F216 WeakPolarHBondContact CG-O 3.48Å; Q214-F216 PolarHBondContact NE2-O 3.43Å; Q214-F216 PolarHBondContact O-N 2.91Å; Q214-P217 PolarHBondContact NE2-O 2.87Å
215M90.8Very high93.2Very high50 Ų5064.8 Ų64.825%0.24639%0.385CS..  trans-85.8-1.2-175.9-61.1-60.914700114P212 H228 L232 Y234 A235P212-M215 HydrophobicContact CB-CE 4.43Å; P212-M215 WeakPolarHBondContact O-CE 3.48Å; M215-H228 WeakPolarHBondContact O-CB 3.45Å; M215-L232 HydrophobicContact CB-CD2 4.11Å; M215-L232 HydrophobicContact CG-CD2 3.93Å; M215-L232 HydrophobicContact SD-CD2 4.08Å; M215-Y234 VanDerWaalsContact O-CD1 3.3Å; M215-Y234 WeakPolarHBondContact O-CD1 3.27Å; M215-A235 HydrophobicContact CB-CB 4.49Å; M215-A235 HydrophobicContact SD-CB 3.49Å; M215-A235 WeakPolarHBondContact SD-CB 3.32Å
216F92.4Very high93.2Very high55 Ų5565.4 Ų65.424%0.24139%0.393CS..SBendtrans-133.9159.2-172.648.2-97.1000111.5Q214 A220 I225 H228 Y234Q214-F216 VanDerWaalsContact C-N 3.31Å; Q214-F216 HydrophobicContact CG-CD1 4.34Å; Q214-F216 HydrophobicContact CG-CD2 3.77Å; Q214-F216 HydrophobicContact CG-CE1 4.17Å; Q214-F216 HydrophobicContact CG-CE2 3.57Å; Q214-F216 HydrophobicContact CG-CG 4.15Å; Q214-F216 HydrophobicContact CG-CZ 3.79Å; Q214-F216 WeakPolarHBondContact CG-O 3.48Å; Q214-F216 PolarHBondContact NE2-O 3.43Å; Q214-F216 PolarHBondContact O-N 2.91Å; F216-A220 HydrophobicContact CB-CB 4.24Å; F216-A220 HydrophobicContact CD2-CB 3.9Å; F216-A220 HydrophobicContact CG-CB 4.42Å; F216-I225 HydrophobicContact CD1-CB 4.39Å; F216-I225 HydrophobicContact CD1-CG1 4.21Å; F216-I225 HydrophobicContact CD1-CG2 3.97Å; F216-I225 HydrophobicContact CD2-CG1 3.89Å; F216-I225 HydrophobicContact CE1-CG1 4.31Å; F216-I225 HydrophobicContact CE1-CG2 3.85Å; F216-I225 HydrophobicContact CE2-CD1 4.24Å; F216-I225 HydrophobicContact CE2-CG1 3.99Å; F216-I225 HydrophobicContact CG-CG1 4.01Å; F216-I225 HydrophobicContact CZ-CD1 4.37Å; F216-I225 HydrophobicContact CZ-CG1 4.19Å; F216-I225 HydrophobicContact CZ-CG2 4.35Å; F216-H228 HydrophobicContact CB-CB 3.73Å; F216-Y234 VanDerWaalsContact C-CE1 3.48Å
217P92.4Very high93.1Very high37 Ų3770.8 Ų70.824%0.2442%0.416CS..  trans-58.6151.2177.3-21.730.4000113.7Q214 G219 A220 H228 Y234Q214-P217 PolarHBondContact NE2-O 2.87Å; P217-G219 PolarHBondContact O-N 3.26Å; P217-A220 VanDerWaalsContact O-CB 3.28Å; P217-A220 WeakPolarHBondContact O-CB 3.42Å; P217-A220 PolarHBondContact O-N 2.94Å; P217-H228 VanDerWaalsContact CD-CD2 3.43Å; P217-H228 WeakPolarHBondContact CD-CD2 3.29Å; P217-Y234 WeakPolarHBondContact CA-OH 3.41Å; P217-Y234 HydrophobicContact CG-CD2 4.24Å; P217-Y234 HydrophobicContact CG-CE1 4.08Å; P217-Y234 HydrophobicContact CG-CE2 3.73Å
218A91.9Very high92.9Very high94 Ų9468.6 Ų68.678%0.77741%0.409SS*.THydrogen-bonded Turntrans-62.5130.6172.100000110.6
219G91.8Very high92.7Very high83 Ų8369.1 Ų69.186%0.85642%0.417SS*.THydrogen-bonded Turntrans79.913.5-176.900000114.9P217P217-G219 PolarHBondContact O-N 3.26Å
220A93.5Very high92.4Very high18 Ų1875.1 Ų75.115%0.14945%0.446CS..  trans-56.7137.317700000112.4F216 P217 E224 I225F216-A220 HydrophobicContact CB-CB 4.24Å; F216-A220 HydrophobicContact CD2-CB 3.9Å; F216-A220 HydrophobicContact CG-CB 4.42Å; P217-A220 VanDerWaalsContact O-CB 3.28Å; P217-A220 WeakPolarHBondContact O-CB 3.42Å; P217-A220 PolarHBondContact O-N 2.94Å; A220-E224 HydrophobicContact CB-CB 3.93Å; A220-I225 HydrophobicContact CB-CG1 3.85Å
221T95.6Very high92.4Very high69 Ų6970 Ų7042%0.42342%0.423SS..  trans-65.8159.417061.70000110.8A223 E224 I225T221-A223 PolarHBondContact O-N 3.11Å; T221-A223 VanDerWaalsContact O-N 3.15Å; T221-E224 WeakPolarHBondContact CB-OE2 3.38Å; T221-E224 WeakPolarHBondContact CG2-OE2 3.38Å; T221-E224 PolarHBondContact N-OE2 3.19Å; T221-E224 PolarHBondContact O-N 3.4Å; T221-E224 VanDerWaalsContact OG1-CD 3.32Å; T221-E224 VanDerWaalsContact OG1-CG 3.3Å; T221-E224 WeakPolarHBondContact OG1-CG 3.2Å; T221-E224 PolarHBondContact OG1-N 2.92Å; T221-E224 PolarHBondContact OG1-OE2 2.67Å; T221-I225 WeakPolarHBondContact O-CG1 3.15Å; T221-I225 PolarHBondContact O-N 2.99Å
222P94.8Very high92.5Very high106 Ų10669.5 Ų69.569%0.68842%0.421SS*.Hα-helixtrans-53.6-36.7176.3-28.336000113.8I225 T226P222-I225 PolarHBondContact O-N 3.24Å; P222-T226 PolarHBondContact O-N 3.22Å; P222-T226 PolarHBondContact O-OG1 2.65Å
223A94.1Very high92.8Very high74 Ų7468.6 Ų68.661%0.61242%0.416SS*.Hα-helixtrans-66.3-40.8176.200000112.4T221 T226 K227T221-A223 PolarHBondContact O-N 3.11Å; T221-A223 VanDerWaalsContact O-N 3.15Å; A223-T226 PolarHBondContact O-N 2.7Å; A223-K227 WeakPolarHBondContact O-CB 3.13Å; A223-K227 PolarHBondContact O-N 2.9Å
224E93.4Very high93.2Very high84 Ų8466.2 Ų66.239%0.39339%0.392SS..Hα-helixtrans-69-37.9175.9-71.8165.5142.600111.9A220 T221 K227 H228A220-E224 HydrophobicContact CB-CB 3.93Å; T221-E224 WeakPolarHBondContact CB-OE2 3.38Å; T221-E224 WeakPolarHBondContact CG2-OE2 3.38Å; T221-E224 PolarHBondContact N-OE2 3.19Å; T221-E224 PolarHBondContact O-N 3.4Å; T221-E224 VanDerWaalsContact OG1-CD 3.32Å; T221-E224 VanDerWaalsContact OG1-CG 3.3Å; T221-E224 WeakPolarHBondContact OG1-CG 3.2Å; T221-E224 PolarHBondContact OG1-N 2.92Å; T221-E224 PolarHBondContact OG1-OE2 2.67Å; E224-K227 PolarHBondContact O-N 3.23Å; E224-H228 WeakPolarHBondContact O-CB 3.24Å; E224-H228 PolarHBondContact O-CD2 2.77Å; E224-H228 PolarHBondContact O-N 2.94Å
225I93.5Very high93.7Very high58 Ų5862 Ų6230%0.29737%0.372SS..Hα-helixtrans-58.2-50.2173.6-67.5170.8000109.9F216 A220 T221 P222 K227 H228 S229F216-I225 HydrophobicContact CD1-CB 4.39Å; F216-I225 HydrophobicContact CD1-CG1 4.21Å; F216-I225 HydrophobicContact CD1-CG2 3.97Å; F216-I225 HydrophobicContact CD2-CG1 3.89Å; F216-I225 HydrophobicContact CE1-CG1 4.31Å; F216-I225 HydrophobicContact CE1-CG2 3.85Å; F216-I225 HydrophobicContact CE2-CD1 4.24Å; F216-I225 HydrophobicContact CE2-CG1 3.99Å; F216-I225 HydrophobicContact CG-CG1 4.01Å; F216-I225 HydrophobicContact CZ-CD1 4.37Å; F216-I225 HydrophobicContact CZ-CG1 4.19Å; F216-I225 HydrophobicContact CZ-CG2 4.35Å; A220-I225 HydrophobicContact CB-CG1 3.85Å; T221-I225 WeakPolarHBondContact O-CG1 3.15Å; T221-I225 PolarHBondContact O-N 2.99Å; P222-I225 PolarHBondContact O-N 3.24Å; I225-K227 PolarHBondContact O-N 2.83Å; I225-H228 PolarHBondContact O-N 3.11Å; I225-S229 VanDerWaalsContact O-CB 3.29Å; I225-S229 WeakPolarHBondContact O-CB 3.49Å; I225-S229 PolarHBondContact O-N 2.81Å; I225-S229 PolarHBondContact O-OG 2.91Å
226T93.6Very high94Very high80 Ų8059.6 Ų59.649%0.49136%0.36SS..Hα-helixtrans-60.3-47.1177.4-59.70000111P222 A223 H228 S229 M230P222-T226 PolarHBondContact O-N 3.22Å; P222-T226 PolarHBondContact O-OG1 2.65Å; A223-T226 PolarHBondContact O-N 2.7Å; T226-H228 PolarHBondContact O-N 3.14Å; T226-S229 PolarHBondContact O-N 2.98Å; T226-M230 HydrophobicContact CG2-CE 3.99Å; T226-M230 HydrophobicContact CG2-SD 4.17Å; T226-M230 WeakPolarHBondContact O-CG 3.42Å; T226-M230 PolarHBondContact O-N 3.3Å
227K93.9Very high94.2Very high134 Ų13458.3 Ų58.358%0.58336%0.355SS*.Hα-helixtrans-54.6-50.9178-179.4-176.8177.3-177.40112.2A223 E224 I225 S229 M230 D231A223-K227 WeakPolarHBondContact O-CB 3.13Å; A223-K227 PolarHBondContact O-N 2.9Å; E224-K227 PolarHBondContact O-N 3.23Å; I225-K227 PolarHBondContact O-N 2.83Å; K227-S229 VanDerWaalsContact C-N 3.31Å; K227-S229 PolarHBondContact O-N 3.42Å; K227-M230 PolarHBondContact O-N 2.71Å; K227-D231 PolarHBondContact O-N 3.16Å
228H94.1Very high94.4Very high31 Ų3159.3 Ų59.314%0.14436%0.36CS..Hα-helixtrans-77.5-14.5-177.7-72.1-57.3000114.2M215 F216 P217 E224 I225 T226 D231 Y234M215-H228 WeakPolarHBondContact O-CB 3.45Å; F216-H228 HydrophobicContact CB-CB 3.73Å; P217-H228 VanDerWaalsContact CD-CD2 3.43Å; P217-H228 WeakPolarHBondContact CD-CD2 3.29Å; E224-H228 WeakPolarHBondContact O-CB 3.24Å; E224-H228 PolarHBondContact O-CD2 2.77Å; E224-H228 PolarHBondContact O-N 2.94Å; I225-H228 PolarHBondContact O-N 3.11Å; T226-H228 PolarHBondContact O-N 3.14Å; H228-D231 CarbonylContact C-O 3.57Å; H228-D231 CarbonylContact O-C 3.56Å; H228-D231 VanDerWaalsContact O-O 3.07Å; H228-Y234 AromaticContact CE1-CG 3.93Å; H228-Y234 VanDerWaalsContact ND1-CB 3.28Å; H228-Y234 WeakPolarHBondContact ND1-CB 3.42Å; H228-Y234 AromaticContact ND1-CG 3.92Å
229S91.1Very high94.6Very high48 Ų4855 Ų5534%0.33633%0.325SS..Hα-helixtrans-85.4-28.4172.2-57.30000112.2I225 T226 K227 R283I225-S229 VanDerWaalsContact O-CB 3.29Å; I225-S229 WeakPolarHBondContact O-CB 3.49Å; I225-S229 PolarHBondContact O-N 2.81Å; I225-S229 PolarHBondContact O-OG 2.91Å; T226-S229 PolarHBondContact O-N 2.98Å; K227-S229 VanDerWaalsContact C-N 3.31Å; K227-S229 PolarHBondContact O-N 3.42Å; S229-R283 PolarHBondContact O-NH2 2.93Å
230M90.6Very high94.8Very high132 Ų13251.2 Ų51.265%0.6529%0.285SS*.Hα-helixtrans-76.5-42.9172.2-67.4-175.5-54.800111.5T226 K227T226-M230 HydrophobicContact CG2-CE 3.99Å; T226-M230 HydrophobicContact CG2-SD 4.17Å; T226-M230 WeakPolarHBondContact O-CG 3.42Å; T226-M230 PolarHBondContact O-N 3.3Å; K227-M230 PolarHBondContact O-N 2.71Å
231D94.6Very high94.9Very high41 Ų4155.5 Ų55.522%0.21931%0.305CS..  trans-118.2109.6176.7179.96.2000111K227 H228 S233 S284 E285 A286K227-D231 PolarHBondContact O-N 3.16Å; H228-D231 CarbonylContact C-O 3.57Å; H228-D231 CarbonylContact O-C 3.56Å; H228-D231 VanDerWaalsContact O-O 3.07Å; D231-S233 VanDerWaalsContact CG-OG 3.3Å; D231-S233 PolarHBondContact O-N 2.9Å; D231-S233 VanDerWaalsContact O-N 3.17Å; D231-S233 WeakPolarHBondContact OD1-CB 3.48Å; D231-S233 PolarHBondContact OD1-N 3.34Å; D231-S233 PolarHBondContact OD1-OG 3.47Å; D231-S233 PolarHBondContact OD2-OG 3.23Å; D231-S284 WeakPolarHBondContact OD1-CA 3.25Å; D231-E285 PolarHBondContact OD1-N 3.32Å; D231-A286 WeakPolarHBondContact OD2-CB 3.48Å; D231-A286 PolarHBondContact OD2-N 2.91Å
232L96.5Very high94.8Very high9 Ų958.6 Ų58.65%0.04731%0.313CS..THydrogen-bonded Turntrans-77.66.6-177.9-55.4-171.9000113.5M215 Y234 A235 L236 L280 R283 S284M215-L232 HydrophobicContact CB-CD2 4.11Å; M215-L232 HydrophobicContact CG-CD2 3.93Å; M215-L232 HydrophobicContact SD-CD2 4.08Å; L232-Y234 PolarHBondContact O-N 3.39Å; L232-Y234 VanDerWaalsContact O-N 3.12Å; L232-A235 WeakPolarHBondContact O-CB 3.33Å; L232-A235 PolarHBondContact O-N 3.1Å; L232-L236 PolarHBondContact O-N 3.43Å; L232-L280 HydrophobicContact CB-CD1 3.85Å; L232-L280 HydrophobicContact CD1-CD1 4.21Å; L232-R283 HydrophobicContact CB-CB 4.39Å; L232-R283 HydrophobicContact CD1-CB 3.81Å; L232-R283 HydrophobicContact CG-CB 3.86Å; L232-R283 PolarHBondContact N-O 3.27Å; L232-S284 PolarHBondContact O-OG 3.34Å
233S96.6Very high94.7Very high9 Ų955.8 Ų55.86%0.06329%0.29CS..Hα-helixtrans-53.8-35.5-178.4-670000113.4D231 L236 E237 S284 E285 A286 A287D231-S233 VanDerWaalsContact CG-OG 3.3Å; D231-S233 PolarHBondContact O-N 2.9Å; D231-S233 VanDerWaalsContact O-N 3.17Å; D231-S233 WeakPolarHBondContact OD1-CB 3.48Å; D231-S233 PolarHBondContact OD1-N 3.34Å; D231-S233 PolarHBondContact OD1-OG 3.47Å; D231-S233 PolarHBondContact OD2-OG 3.23Å; S233-L236 PolarHBondContact O-N 3.26Å; S233-E237 WeakPolarHBondContact O-CB 3.09Å; S233-E237 WeakPolarHBondContact O-CG 3.49Å; S233-E237 PolarHBondContact O-N 3.47Å; S233-S284 PolarHBondContact N-OG 3.47Å; S233-S284 WeakPolarHBondContact OG-CA 3.38Å; S233-E285 PolarHBondContact OG-N 3.15Å; S233-A286 PolarHBondContact OG-N 3.47Å; S233-A286 VanDerWaalsContact OG-N 3.08Å; S233-A287 PolarHBondContact OG-N 2.96Å
234Y96.3Very high94.7Very high89 Ų8953.1 Ų53.135%0.34927%0.265SS..Hα-helixtrans-63.5-45.1175.1170.5-95000112.5M215 F216 P217 H228 L232 E237 T238M215-Y234 VanDerWaalsContact O-CD1 3.3Å; M215-Y234 WeakPolarHBondContact O-CD1 3.27Å; F216-Y234 VanDerWaalsContact C-CE1 3.48Å; P217-Y234 WeakPolarHBondContact CA-OH 3.41Å; P217-Y234 HydrophobicContact CG-CD2 4.24Å; P217-Y234 HydrophobicContact CG-CE1 4.08Å; P217-Y234 HydrophobicContact CG-CE2 3.73Å; H228-Y234 AromaticContact CE1-CG 3.93Å; H228-Y234 VanDerWaalsContact ND1-CB 3.28Å; H228-Y234 WeakPolarHBondContact ND1-CB 3.42Å; H228-Y234 AromaticContact ND1-CG 3.92Å; L232-Y234 PolarHBondContact O-N 3.39Å; L232-Y234 VanDerWaalsContact O-N 3.12Å; Y234-E237 PolarHBondContact O-N 2.92Å; Y234-T238 PolarHBondContact O-N 3.5Å; Y234-T238 PolarHBondContact O-OG1 3.27Å
235A96.8Very high94.5Very high0 Ų053.9 Ų53.90%028%0.277CS..Hα-helixtrans-66.3-42178.500000110.9P212 M215 L232 T238 V239 L280P212-A235 HydrophobicContact CB-CB 4.46Å; P212-A235 HydrophobicContact CG-CB 4.27Å; M215-A235 HydrophobicContact CB-CB 4.49Å; M215-A235 HydrophobicContact SD-CB 3.49Å; M215-A235 WeakPolarHBondContact SD-CB 3.32Å; L232-A235 WeakPolarHBondContact O-CB 3.33Å; L232-A235 PolarHBondContact O-N 3.1Å; A235-T238 WeakPolarHBondContact O-CB 3.31Å; A235-T238 PolarHBondContact O-N 2.91Å; A235-V239 PolarHBondContact O-N 3.21Å; A235-V239 VanDerWaalsContact O-N 3.09Å; A235-L280 HydrophobicContact CB-CD1 3.85Å
236L97.2Very high94.4Very high0 Ų056.6 Ų56.60%030%0.301CS..Hα-helixtrans-61.3-48.4175.6177.360.5000111.3L232 S233 T238 V239 L240 L280 L281 S284 A287 Y295L232-L236 PolarHBondContact O-N 3.43Å; S233-L236 PolarHBondContact O-N 3.26Å; L236-T238 PolarHBondContact O-N 2.95Å; L236-V239 WeakPolarHBondContact O-CB 3.33Å; L236-V239 PolarHBondContact O-N 2.92Å; L236-L240 HydrophobicContact CD1-CD1 4.15Å; L236-L240 HydrophobicContact CD1-CD2 4.31Å; L236-L240 HydrophobicContact CD1-CG 4Å; L236-L240 HydrophobicContact CD2-CD1 4.47Å; L236-L240 HydrophobicContact CG-CD1 3.9Å; L236-L240 HydrophobicContact CG-CG 4.19Å; L236-L240 VanDerWaalsContact O-CG 3.32Å; L236-L240 WeakPolarHBondContact O-CG 3.14Å; L236-L240 PolarHBondContact O-N 3.44Å; L236-L280 HydrophobicContact CB-CD1 4.12Å; L236-L280 HydrophobicContact CB-CG 4.08Å; L236-L280 HydrophobicContact CD1-CD2 4.23Å; L236-L280 HydrophobicContact CD1-CG 4.17Å; L236-L281 HydrophobicContact CD1-CD2 3.81Å; L236-L281 HydrophobicContact CD2-CD2 4.07Å; L236-S284 WeakPolarHBondContact CB-OG 3.31Å; L236-A287 HydrophobicContact CD2-CB 3.76Å; L236-Y295 WeakPolarHBondContact CD2-OH 3.46Å
237E96.4Very high94.4Very high28 Ų2854.3 Ų54.313%0.13129%0.289CS..Hα-helixtrans-58.3-37.4176.5-75-7316300112.1S233 Y234 V239 L240 N241 K290 H291S233-E237 WeakPolarHBondContact O-CB 3.09Å; S233-E237 WeakPolarHBondContact O-CG 3.49Å; S233-E237 PolarHBondContact O-N 3.47Å; Y234-E237 PolarHBondContact O-N 2.92Å; E237-V239 VanDerWaalsContact C-N 3.35Å; E237-V239 PolarHBondContact O-N 3.15Å; E237-L240 PolarHBondContact O-N 2.9Å; E237-N241 VanDerWaalsContact O-CB 3.29Å; E237-N241 WeakPolarHBondContact O-CB 3.47Å; E237-N241 PolarHBondContact O-N 2.88Å; E237-N241 PolarHBondContact O-ND2 2.92Å; E237-K290 WeakPolarHBondContact OE1-CD 3.36Å; E237-K290 WeakPolarHBondContact OE1-CE 3.37Å; E237-K290 IonicContact OE1-NZ 2.87Å; E237-K290 PolarHBondContact OE1-NZ 2.9Å; E237-K290 IonicContact OE2-NZ 2.78Å; E237-K290 PolarHBondContact OE2-NZ 3.11Å; E237-H291 IonicContact OE1-CD2 3.28Å; E237-H291 PolarHBondContact OE1-CD2 3.42Å; E237-H291 IonicContact OE1-CE1 3.83Å; E237-H291 IonicContact OE1-NE2 3.91Å; E237-H291 PolarHBondContact OE1-NE2 3.45Å
238T95.3Very high94.4Very high58 Ų5850.1 Ų50.136%0.35628%0.275SS..Hα-helixtrans-62.3-42.9175.1-57.80000111.4Y234 A235 L236 K242Y234-T238 PolarHBondContact O-N 3.5Å; Y234-T238 PolarHBondContact O-OG1 3.27Å; A235-T238 WeakPolarHBondContact O-CB 3.31Å; A235-T238 PolarHBondContact O-N 2.91Å; L236-T238 PolarHBondContact O-N 2.95Å; T238-K242 WeakPolarHBondContact O-CB 3.26Å; T238-K242 PolarHBondContact O-N 2.92Å; T238-K242 VanDerWaalsContact O-N 3.08Å
239V96.4Very high94.5Very high5 Ų550.5 Ų50.53%0.0328%0.277CS..Hα-helixtrans-64.5-49.4175174.70000111.1L211 P212 A235 L236 E237 N241 K242 Q243 F244 L280L211-V239 HydrophobicContact CD2-CG2 4.32Å; P212-V239 HydrophobicContact CG-CG2 3.8Å; A235-V239 PolarHBondContact O-N 3.21Å; A235-V239 VanDerWaalsContact O-N 3.09Å; L236-V239 WeakPolarHBondContact O-CB 3.33Å; L236-V239 PolarHBondContact O-N 2.92Å; E237-V239 VanDerWaalsContact C-N 3.35Å; E237-V239 PolarHBondContact O-N 3.15Å; V239-N241 PolarHBondContact O-N 3.46Å; V239-K242 PolarHBondContact O-N 3Å; V239-Q243 HydrophobicContact CG1-CG 4.41Å; V239-Q243 WeakPolarHBondContact O-CB 3.31Å; V239-Q243 PolarHBondContact O-N 2.82Å; V239-F244 HydrophobicContact CG1-CD2 4.44Å; V239-F244 HydrophobicContact CG1-CE2 4.1Å; V239-L280 HydrophobicContact CG2-CD2 3.99Å
240L96.4Very high94.7Very high3 Ų351.5 Ų51.52%0.01628%0.278CS..Hα-helixtrans-59.3-47.5-178.2-66176.7000111.3L236 E237 K242 F244 P248 V251L236-L240 HydrophobicContact CD1-CD1 4.15Å; L236-L240 HydrophobicContact CD1-CD2 4.31Å; L236-L240 HydrophobicContact CD1-CG 4Å; L236-L240 HydrophobicContact CD2-CD1 4.47Å; L236-L240 HydrophobicContact CG-CD1 3.9Å; L236-L240 HydrophobicContact CG-CG 4.19Å; L236-L240 VanDerWaalsContact O-CG 3.32Å; L236-L240 WeakPolarHBondContact O-CG 3.14Å; L236-L240 PolarHBondContact O-N 3.44Å; E237-L240 PolarHBondContact O-N 2.9Å; L240-K242 PolarHBondContact O-N 2.84Å; L240-F244 HydrophobicContact CD2-CD2 4.27Å; L240-F244 CarbonylContact O-C 3.07Å; L240-F244 VanDerWaalsContact O-CA 3.29Å; L240-F244 WeakPolarHBondContact O-CA 3.28Å; L240-F244 PolarHBondContact O-N 2.93Å; L240-P248 HydrophobicContact CD1-CB 4.28Å; L240-P248 HydrophobicContact CD2-CB 4.24Å; L240-V251 HydrophobicContact CD2-CB 3.98Å; L240-V251 HydrophobicContact CD2-CG1 3.99Å; L240-V251 HydrophobicContact CD2-CG2 4.41Å
241N94.9Very high95.1Very high108 Ų10845.2 Ų45.258%0.57825%0.247SC*.Hα-helixtrans-68.9-35.3-179-67.3-40.1000112.7E237 V239E237-N241 VanDerWaalsContact O-CB 3.29Å; E237-N241 WeakPolarHBondContact O-CB 3.47Å; E237-N241 PolarHBondContact O-N 2.88Å; E237-N241 PolarHBondContact O-ND2 2.92Å; V239-N241 PolarHBondContact O-N 3.46Å
242K94.4Very high95.3Very high134 Ų13443.2 Ų43.258%0.58324%0.237SC*.Hα-helixtrans-77.6-44.2-179.8-176.1-179.6175.6-170.80112.3E210 T238 V239 L240E210-K242 IonicContact OE2-NZ 2.72Å; T238-K242 WeakPolarHBondContact O-CB 3.26Å; T238-K242 PolarHBondContact O-N 2.92Å; T238-K242 VanDerWaalsContact O-N 3.08Å; V239-K242 PolarHBondContact O-N 3Å; L240-K242 PolarHBondContact O-N 2.84Å
243Q93.6Very high95.3Very high47 Ų4742.8 Ų42.822%0.2224%0.235CC..Hα-helixtrans-105.6-22.2-166-58.9-69.72200114.1K147 V239 P245K147-Q243 PolarHBondContact NZ-O 3.35Å; V239-Q243 HydrophobicContact CG1-CG 4.41Å; V239-Q243 WeakPolarHBondContact O-CB 3.31Å; V239-Q243 PolarHBondContact O-N 2.82Å; Q243-P245 VanDerWaalsContact C-CD 3.47Å
244F93.4Very high95.4Very high17 Ų1742.5 Ų42.58%0.07523%0.232CC..  trans-135.551.5-174.2-51.6-75.1000112.2V239 L240 S246 S247 D250 V251 E254V239-F244 HydrophobicContact CG1-CD2 4.44Å; V239-F244 HydrophobicContact CG1-CE2 4.1Å; L240-F244 HydrophobicContact CD2-CD2 4.27Å; L240-F244 CarbonylContact O-C 3.07Å; L240-F244 VanDerWaalsContact O-CA 3.29Å; L240-F244 WeakPolarHBondContact O-CA 3.28Å; L240-F244 PolarHBondContact O-N 2.93Å; F244-S246 PolarHBondContact O-N 2.85Å; F244-S247 CarbonylContact O-C 3.55Å; F244-S247 PolarHBondContact O-N 3.38Å; F244-D250 HydrophobicContact CD1-CB 3.63Å; F244-D250 HydrophobicContact CE1-CB 4.25Å; F244-D250 HydrophobicContact CG-CB 4.41Å; F244-V251 HydrophobicContact CD2-CB 3.98Å; F244-V251 HydrophobicContact CD2-CG2 4.25Å; F244-V251 HydrophobicContact CE2-CB 3.79Å; F244-V251 HydrophobicContact CE2-CG2 3.69Å; F244-V251 HydrophobicContact CG-CB 4.48Å; F244-V251 HydrophobicContact CZ-CB 4.13Å; F244-V251 HydrophobicContact CZ-CG2 4.15Å; F244-E254 HydrophobicContact CZ-CB 4.28Å; F244-E254 WeakPolarHBondContact CZ-OE2 3.42Å
245P89.6Confident95.5Very high101 Ų10138.3 Ų38.366%0.65622%0.216SC*.SBendtrans-64-27-171.627-36.3000113.7Q243Q243-P245 VanDerWaalsContact C-CD 3.47Å
246S90.5Very high95.6Very high115 Ų11538.3 Ų38.380%0.80422%0.216SC*.SBendtrans-79.4-39.3-178.8-54.20000112.8F244F244-S246 PolarHBondContact O-N 2.85Å
247S94.1Very high95.7Very high32 Ų3238.3 Ų38.322%0.22422%0.216CC..  trans-154.6112-171.6164.60000110.1F244 Q249 D250F244-S247 CarbonylContact O-C 3.55Å; F244-S247 PolarHBondContact O-N 3.38Å; S247-Q249 PolarHBondContact O-N 3.02Å; S247-Q249 VanDerWaalsContact O-N 3.1Å; S247-Q249 PolarHBondContact OG-N 3.45Å; S247-D250 VanDerWaalsContact CB-OD1 3.27Å; S247-D250 WeakPolarHBondContact CB-OD1 3.26Å; S247-D250 WeakPolarHBondContact O-CB 3.48Å; S247-D250 PolarHBondContact O-N 3.3Å; S247-D250 VanDerWaalsContact O-N 3.09Å; S247-D250 PolarHBondContact OG-OD1 2.82Å
248P94.4Very high95.8Very high45 Ų4537 Ų3729%0.29221%0.209SC..G310 helixtrans-58.4-22.2173.4-27.836.2000113.9L240 D250 V251 L294L240-P248 HydrophobicContact CD1-CB 4.28Å; L240-P248 HydrophobicContact CD2-CB 4.24Å; P248-D250 PolarHBondContact O-N 3.43Å; P248-V251 WeakPolarHBondContact O-CG1 3.4Å; P248-L294 WeakPolarHBondContact O-CD1 3.46Å
249Q95.7Very high95.9Very high40 Ų4034.2 Ų34.219%0.18719%0.192CC..G310 helixtrans-64.7-24.1177.7-61.4-69.2-32.800112.6F139 S247 V251 L252 L294 N297F139-Q249 HydrophobicContact CE1-CB 4.47Å; S247-Q249 PolarHBondContact O-N 3.02Å; S247-Q249 VanDerWaalsContact O-N 3.1Å; S247-Q249 PolarHBondContact OG-N 3.45Å; Q249-V251 PolarHBondContact O-N 3.14Å; Q249-L252 WeakPolarHBondContact O-CB 3.4Å; Q249-L252 WeakPolarHBondContact O-CG 3.44Å; Q249-L252 PolarHBondContact O-N 2.98Å; Q249-L294 VanDerWaalsContact NE2-CA 3.28Å; Q249-N297 PolarHBondContact OE1-ND2 3.45Å
250D95.7Very high96Very high68 Ų6834 Ų3436%0.36419%0.191SC..G310 helixtrans-68.7-19.9-172.3-61.3-0.2000112.1F244 S247 P248 L252 G253 E254F244-D250 HydrophobicContact CD1-CB 3.63Å; F244-D250 HydrophobicContact CE1-CB 4.25Å; F244-D250 HydrophobicContact CG-CB 4.41Å; S247-D250 VanDerWaalsContact CB-OD1 3.27Å; S247-D250 WeakPolarHBondContact CB-OD1 3.26Å; S247-D250 WeakPolarHBondContact O-CB 3.48Å; S247-D250 PolarHBondContact O-N 3.3Å; S247-D250 VanDerWaalsContact O-N 3.09Å; S247-D250 PolarHBondContact OG-OD1 2.82Å; P248-D250 PolarHBondContact O-N 3.43Å; D250-L252 PolarHBondContact O-N 3.48Å; D250-G253 WeakPolarHBondContact O-CA 3.46Å; D250-G253 PolarHBondContact O-N 3.05Å; D250-E254 PolarHBondContact O-N 3.11Å
251V97.9Very high96.1Very high0 Ų033.9 Ų33.90%019%0.191CC..Hα-helixtrans-59-29.2169.777.10000112.1L240 F244 P248 Q249 G253 E254 L255 L277 L281 L294L240-V251 HydrophobicContact CD2-CB 3.98Å; L240-V251 HydrophobicContact CD2-CG1 3.99Å; L240-V251 HydrophobicContact CD2-CG2 4.41Å; F244-V251 HydrophobicContact CD2-CB 3.98Å; F244-V251 HydrophobicContact CD2-CG2 4.25Å; F244-V251 HydrophobicContact CE2-CB 3.79Å; F244-V251 HydrophobicContact CE2-CG2 3.69Å; F244-V251 HydrophobicContact CG-CB 4.48Å; F244-V251 HydrophobicContact CZ-CB 4.13Å; F244-V251 HydrophobicContact CZ-CG2 4.15Å; P248-V251 WeakPolarHBondContact O-CG1 3.4Å; Q249-V251 PolarHBondContact O-N 3.14Å; V251-G253 VanDerWaalsContact C-N 3.29Å; V251-G253 PolarHBondContact O-N 3.01Å; V251-E254 PolarHBondContact O-N 3.49Å; V251-L255 PolarHBondContact O-N 3.43Å; V251-L277 HydrophobicContact CG2-CD1 3.79Å; V251-L277 HydrophobicContact CG2-CD2 4.22Å; V251-L277 HydrophobicContact CG2-CG 4.49Å; V251-L281 HydrophobicContact CG1-CD2 4.39Å; V251-L294 HydrophobicContact CG1-CD1 3.79Å
252L98.4Very high96.1Very high0 Ų029.8 Ų29.80%017%0.168CC..Hα-helixtrans-70.5-28.3176.4-58.4-179.4000111.7F139 Q249 D250 L255 Q256 L294 N297 L298 I301F139-L252 HydrophobicContact CB-CB 4.17Å; F139-L252 HydrophobicContact CD1-CB 4.04Å; F139-L252 HydrophobicContact CD1-CD1 4.25Å; F139-L252 HydrophobicContact CD2-CB 4.38Å; F139-L252 HydrophobicContact CE1-CD1 3.98Å; F139-L252 HydrophobicContact CE2-CD1 4.4Å; F139-L252 HydrophobicContact CG-CB 3.94Å; F139-L252 HydrophobicContact CZ-CD1 4.08Å; Q249-L252 WeakPolarHBondContact O-CB 3.4Å; Q249-L252 WeakPolarHBondContact O-CG 3.44Å; Q249-L252 PolarHBondContact O-N 2.98Å; D250-L252 PolarHBondContact O-N 3.48Å; L252-L255 HydrophobicContact CD2-CD2 4.48Å; L252-L255 PolarHBondContact O-N 2.75Å; L252-Q256 WeakPolarHBondContact O-CB 3.38Å; L252-Q256 PolarHBondContact O-N 2.98Å; L252-L294 HydrophobicContact CD1-CD1 4.28Å; L252-L294 HydrophobicContact CD2-CD1 4.35Å; L252-L294 HydrophobicContact CD2-CG 4.48Å; L252-L294 HydrophobicContact CG-CD1 4.08Å; L252-N297 HydrophobicContact CD1-CB 3.52Å; L252-L298 HydrophobicContact CD2-CB 4.25Å; L252-L298 HydrophobicContact CD2-CD1 4.15Å; L252-I301 HydrophobicContact CB-CD1 3.68Å; L252-I301 HydrophobicContact CD1-CD1 3.99Å; L252-I301 HydrophobicContact CD2-CD1 4.11Å; L252-I301 HydrophobicContact CG-CD1 4.14Å
253G98.3Very high96.1Very high0 Ų025.5 Ų25.50%015%0.151CC..Hα-helixtrans-66.3-42.1171.700000111.4F139 D250 V251 Q256 F257F139-G253 VanDerWaalsContact O-CA 3.24Å; F139-G253 WeakPolarHBondContact O-CA 3.46Å; D250-G253 WeakPolarHBondContact O-CA 3.46Å; D250-G253 PolarHBondContact O-N 3.05Å; V251-G253 VanDerWaalsContact C-N 3.29Å; V251-G253 PolarHBondContact O-N 3.01Å; G253-Q256 PolarHBondContact O-N 3.33Å; G253-F257 VanDerWaalsContact O-CB 3.3Å; G253-F257 WeakPolarHBondContact O-CB 3.28Å; G253-F257 PolarHBondContact O-N 3.49Å
254E98.4Very high96.2Very high3 Ų324.2 Ų24.21%0.01415%0.145CC..Hα-helixtrans-65.5-40.3173.5-173.3169.7142.200112.1L148 F208 S209 F244 D250 V251 Q256 F257 A258 H273 L277L148-E254 HydrophobicContact CD1-CB 3.96Å; L148-E254 HydrophobicContact CD1-CG 3.79Å; L148-E254 HydrophobicContact CD2-CG 3.96Å; F208-E254 HydrophobicContact CD1-CG 4.15Å; S209-E254 VanDerWaalsContact CB-OE1 3.23Å; S209-E254 WeakPolarHBondContact CB-OE1 3.29Å; S209-E254 WeakPolarHBondContact CB-OE2 3.46Å; S209-E254 PolarHBondContact N-OE1 2.93Å; S209-E254 PolarHBondContact OG-OE1 3.21Å; S209-E254 PolarHBondContact OG-OE2 3.45Å; F244-E254 HydrophobicContact CZ-CB 4.28Å; F244-E254 WeakPolarHBondContact CZ-OE2 3.42Å; D250-E254 PolarHBondContact O-N 3.11Å; V251-E254 PolarHBondContact O-N 3.49Å; E254-Q256 PolarHBondContact O-N 3.49Å; E254-F257 PolarHBondContact O-N 3.25Å; E254-A258 WeakPolarHBondContact O-CB 3.37Å; E254-A258 PolarHBondContact O-N 3.21Å; E254-H273 IonicContact OE1-CD2 2.72Å; E254-H273 IonicContact OE1-CE1 3.27Å; E254-H273 PolarHBondContact OE1-CE1 2.89Å; E254-H273 IonicContact OE1-NE2 2.56Å; E254-H273 PolarHBondContact OE1-NE2 2.89Å; E254-L277 HydrophobicContact CG-CD2 4.47Å
255L98.6Very high96.3Very high0 Ų023.5 Ų23.50%014%0.143CC..Hα-helixtrans-60.2-45.1174.2-174.673.1000112.2V251 L252 F259 W274 L277 L278 L281 L298 I301V251-L255 PolarHBondContact O-N 3.43Å; L252-L255 HydrophobicContact CD2-CD2 4.48Å; L252-L255 PolarHBondContact O-N 2.75Å; L255-F259 WeakPolarHBondContact O-CB 3.4Å; L255-F259 PolarHBondContact O-N 2.86Å; L255-F259 VanDerWaalsContact O-N 3.1Å; L255-W274 VanDerWaalsContact CD1-CD1 3.43Å; L255-W274 HydrophobicContact CD1-CG 4.32Å; L255-L277 HydrophobicContact CB-CD2 3.95Å; L255-L277 HydrophobicContact CD1-CB 4.3Å; L255-L277 HydrophobicContact CD1-CD2 4.05Å; L255-L277 HydrophobicContact CD1-CG 4.11Å; L255-L278 HydrophobicContact CD1-CB 4.41Å; L255-L281 HydrophobicContact CD2-CD1 4.23Å; L255-L298 HydrophobicContact CD2-CD1 3.42Å; L255-L298 VanDerWaalsContact CD2-CD1 3.42Å; L255-I301 HydrophobicContact CD2-CG2 4.39Å
256Q98.6Very high96.5Very high0 Ų022.8 Ų22.80%013%0.134CC..Hα-helixtrans-67.8-41176.6-80.3-171.2-33.900112.3S135 L136 N138 I140 L252 G253 E254 A258 F259 V260 I301S135-Q256 PolarHBondContact O-NE2 3.4Å; L136-Q256 VanDerWaalsContact C-NE2 3.31Å; L136-Q256 WeakPolarHBondContact O-CB 3.2Å; L136-Q256 VanDerWaalsContact O-CG 3.31Å; L136-Q256 WeakPolarHBondContact O-CG 3.39Å; L136-Q256 PolarHBondContact O-NE2 2.99Å; N138-Q256 PolarHBondContact OD1-NE2 3.26Å; I140-Q256 HydrophobicContact CD1-CB 3.94Å; I140-Q256 HydrophobicContact CG1-CB 3.74Å; L252-Q256 WeakPolarHBondContact O-CB 3.38Å; L252-Q256 PolarHBondContact O-N 2.98Å; G253-Q256 PolarHBondContact O-N 3.33Å; E254-Q256 PolarHBondContact O-N 3.49Å; Q256-A258 PolarHBondContact O-N 3Å; Q256-F259 PolarHBondContact O-N 3.4Å; Q256-V260 WeakPolarHBondContact O-CG2 3.34Å; Q256-V260 PolarHBondContact O-N 2.85Å; Q256-I301 HydrophobicContact CG-CD1 4.24Å; Q256-I301 HydrophobicContact CG-CG1 4.41Å; Q256-I301 HydrophobicContact CG-CG2 3.94Å
257F98.7Very high96.8Very high0 Ų017.6 Ų17.60%010%0.097CC..Hα-helixtrans-59.3-47.9176.2-177.1-81.1000111.3F78 I140 L148 Q149 I155 I206 F208 G253 E254 F259 V260 C261F78-F257 HydrophobicContact CD2-CD2 4.41Å; F78-F257 AromaticContact CD2-CE2 3.61Å; F78-F257 HydrophobicContact CD2-CE2 3.61Å; F78-F257 HydrophobicContact CD2-CZ 4.11Å; F78-F257 HydrophobicContact CE1-CD2 4.34Å; F78-F257 HydrophobicContact CE1-CE2 4.44Å; F78-F257 AromaticContact CE2-CD2 3.81Å; F78-F257 HydrophobicContact CE2-CD2 3.81Å; F78-F257 HydrophobicContact CE2-CE1 4.41Å; F78-F257 AromaticContact CE2-CE2 3.24Å; F78-F257 HydrophobicContact CE2-CE2 3.24Å; F78-F257 AromaticContact CE2-CZ 3.6Å; F78-F257 HydrophobicContact CE2-CZ 3.6Å; F78-F257 HydrophobicContact CG-CE2 4.36Å; F78-F257 AromaticContact CZ-CD2 3.76Å; F78-F257 HydrophobicContact CZ-CD2 3.76Å; F78-F257 AromaticContact CZ-CE2 3.71Å; F78-F257 HydrophobicContact CZ-CE2 3.71Å; F78-F257 HydrophobicContact CZ-CG 4.42Å; F78-F257 HydrophobicContact CZ-CZ 4.32Å; I140-F257 HydrophobicContact CD1-CB 4.25Å; L148-F257 HydrophobicContact CB-CD1 4.04Å; L148-F257 HydrophobicContact CB-CD2 4.36Å; L148-F257 HydrophobicContact CB-CE1 3.85Å; L148-F257 HydrophobicContact CB-CE2 4.16Å; L148-F257 HydrophobicContact CB-CG 4.3Å; L148-F257 HydrophobicContact CB-CZ 3.91Å; L148-F257 HydrophobicContact CD1-CB 3.72Å; L148-F257 HydrophobicContact CD1-CD1 3.8Å; L148-F257 HydrophobicContact CD1-CD2 4.13Å; L148-F257 HydrophobicContact CD1-CE1 4.46Å; L148-F257 HydrophobicContact CD1-CG 3.61Å; Q149-F257 HydrophobicContact CG-CE2 4.03Å; Q149-F257 HydrophobicContact CG-CZ 3.94Å; I155-F257 HydrophobicContact CD1-CZ 3.92Å; I206-F257 HydrophobicContact CG2-CE1 3.73Å; F208-F257 AromaticContact CE1-CD1 3.93Å; F208-F257 HydrophobicContact CE1-CD1 3.93Å; F208-F257 HydrophobicContact CE1-CE1 4.36Å; F208-F257 HydrophobicContact CZ-CD1 4.44Å; G253-F257 VanDerWaalsContact O-CB 3.3Å; G253-F257 WeakPolarHBondContact O-CB 3.28Å; G253-F257 PolarHBondContact O-N 3.49Å; E254-F257 PolarHBondContact O-N 3.25Å; F257-F259 VanDerWaalsContact C-N 3.32Å; F257-F259 PolarHBondContact O-N 2.84Å; F257-V260 PolarHBondContact O-N 3.27Å; F257-C261 WeakPolarHBondContact CE1-SG 3.41Å; F257-C261 PolarHBondContact O-N 3.48Å; F257-C261 PolarHBondContact O-SG 2.73Å
258A98.4Very high96.7Very high0 Ų023.3 Ų23.30%012%0.115CC..Hα-helixtrans-59-44.6176.500000111.3F208 E254 Q256 V260 C261 F262 A270 W274F208-A258 HydrophobicContact CE1-CB 3.69Å; F208-A258 HydrophobicContact CZ-CB 3.88Å; E254-A258 WeakPolarHBondContact O-CB 3.37Å; E254-A258 PolarHBondContact O-N 3.21Å; Q256-A258 PolarHBondContact O-N 3Å; A258-V260 PolarHBondContact O-N 3.37Å; A258-C261 PolarHBondContact O-N 3.49Å; A258-F262 WeakPolarHBondContact O-CB 3.47Å; A258-F262 PolarHBondContact O-N 3.2Å; A258-A270 WeakPolarHBondContact O-CB 3.33Å; A258-W274 HydrophobicContact CB-CB 4.01Å
259F98.1Very high96.6Very high0 Ų025.3 Ų25.30%012%0.121CC..Hα-helixtrans-61.9-42.7177.2-177-95.3000113.1L136 L255 Q256 F257 F262 L263 W274 Q305 I309L136-F259 HydrophobicContact CD2-CD1 4.33Å; L136-F259 HydrophobicContact CD2-CE1 3.86Å; L255-F259 WeakPolarHBondContact O-CB 3.4Å; L255-F259 PolarHBondContact O-N 2.86Å; L255-F259 VanDerWaalsContact O-N 3.1Å; Q256-F259 PolarHBondContact O-N 3.4Å; F257-F259 VanDerWaalsContact C-N 3.32Å; F257-F259 PolarHBondContact O-N 2.84Å; F259-F262 HydrophobicContact CD2-CD1 4.19Å; F259-F262 HydrophobicContact CE2-CD1 4.38Å; F259-F262 HydrophobicContact CE2-CE1 4.39Å; F259-F262 PolarHBondContact O-N 2.86Å; F259-L263 HydrophobicContact CE1-CB 4.26Å; F259-L263 HydrophobicContact CE1-CD2 3.61Å; F259-L263 HydrophobicContact CZ-CB 4.41Å; F259-L263 HydrophobicContact CZ-CD2 3.81Å; F259-L263 WeakPolarHBondContact O-CB 3.45Å; F259-L263 PolarHBondContact O-N 2.9Å; F259-W274 HydrophobicContact CD2-CD2 4.39Å; F259-W274 AromaticContact CD2-CE2 3.9Å; F259-W274 HydrophobicContact CD2-CZ2 4.15Å; F259-W274 AromaticContact CD2-NE1 3.84Å; F259-W274 HydrophobicContact CE2-CZ2 4.42Å; F259-Q305 HydrophobicContact CD1-CB 4.33Å; F259-Q305 HydrophobicContact CD1-CG 3.66Å; F259-Q305 HydrophobicContact CD2-CB 4.03Å; F259-Q305 HydrophobicContact CD2-CG 3.92Å; F259-Q305 HydrophobicContact CE1-CB 3.97Å; F259-Q305 HydrophobicContact CE1-CG 3.72Å; F259-Q305 HydrophobicContact CE2-CB 3.64Å; F259-Q305 HydrophobicContact CE2-CG 3.98Å; F259-Q305 HydrophobicContact CG-CB 4.35Å; F259-Q305 VanDerWaalsContact CG-CD 3.49Å; F259-Q305 HydrophobicContact CG-CG 3.75Å; F259-Q305 HydrophobicContact CZ-CB 3.61Å; F259-Q305 HydrophobicContact CZ-CG 3.88Å; F259-Q305 WeakPolarHBondContact CZ-O 3.39Å; F259-I309 HydrophobicContact CE2-CD1 3.88Å; F259-I309 HydrophobicContact CE2-CG1 4.11Å; F259-I309 HydrophobicContact CZ-CD1 4.43Å; F259-I309 HydrophobicContact CZ-CG1 4.21Å
260V98.1Very high96.6Very high1 Ų123.4 Ų23.41%0.00611%0.112CC..Hα-helixtrans-64.2-45.2177.1167.80000111.1F57 F78 W133 T137 I140 Q256 F257 A258 F262 L263 L264 G265F57-V260 HydrophobicContact CB-CG1 4.09Å; F57-V260 HydrophobicContact CD1-CG1 3.98Å; F57-V260 HydrophobicContact CG-CG1 3.99Å; F78-V260 HydrophobicContact CE1-CB 4.43Å; F78-V260 HydrophobicContact CE1-CG1 3.75Å; F78-V260 HydrophobicContact CZ-CB 4.13Å; F78-V260 HydrophobicContact CZ-CG1 3.57Å; W133-V260 HydrophobicContact CH2-CG1 4.09Å; W133-V260 HydrophobicContact CH2-CG2 4.42Å; W133-V260 HydrophobicContact CZ3-CG1 4.16Å; W133-V260 HydrophobicContact CZ3-CG2 4.15Å; T137-V260 HydrophobicContact CG2-CG2 3.99Å; I140-V260 HydrophobicContact CD1-CG2 4.36Å; Q256-V260 WeakPolarHBondContact O-CG2 3.34Å; Q256-V260 PolarHBondContact O-N 2.85Å; F257-V260 PolarHBondContact O-N 3.27Å; A258-V260 PolarHBondContact O-N 3.37Å; V260-F262 VanDerWaalsContact C-N 3.3Å; V260-F262 PolarHBondContact O-N 3.11Å; V260-L263 PolarHBondContact O-N 3.37Å; V260-L264 HydrophobicContact CG1-CD1 4.23Å; V260-L264 WeakPolarHBondContact O-CB 2.94Å; V260-L264 PolarHBondContact O-N 2.8Å; V260-G265 PolarHBondContact O-N 3.36Å
261C97.8Very high96.5Very high0 Ų020.7 Ų20.70%010%0.097CC..Hα-helixtrans-62.8-38.7177.3-64.10000111.9I206 F257 A258 G265 N266 V267 A270I206-C261 HydrophobicContact CD1-CB 4.29Å; F257-C261 WeakPolarHBondContact CE1-SG 3.41Å; F257-C261 PolarHBondContact O-N 3.48Å; F257-C261 PolarHBondContact O-SG 2.73Å; A258-C261 PolarHBondContact O-N 3.49Å; C261-G265 CarbonylContact O-C 3.5Å; C261-G265 WeakPolarHBondContact O-CA 3.48Å; C261-G265 PolarHBondContact O-N 2.94Å; C261-G265 VanDerWaalsContact O-N 3.08Å; C261-N266 PolarHBondContact O-N 3.22Å; C261-V267 HydrophobicContact CB-CB 4.43Å; C261-V267 HydrophobicContact CB-CG2 4.33Å; C261-V267 WeakPolarHBondContact O-CB 3.44Å; C261-V267 WeakPolarHBondContact O-CG2 3.47Å; C261-V267 PolarHBondContact O-N 3.04Å; C261-V267 VanDerWaalsContact O-N 3.1Å; C261-A270 HydrophobicContact CB-CB 3.6Å
262F95.5Very high96.3Very high23 Ų2323.4 Ų23.410%0.10111%0.109CC..Hα-helixtrans-63.1-60.9172.8155.8-124.2000111.5A258 F259 V260 N266 A270 F271 F313A258-F262 WeakPolarHBondContact O-CB 3.47Å; A258-F262 PolarHBondContact O-N 3.2Å; F259-F262 HydrophobicContact CD2-CD1 4.19Å; F259-F262 HydrophobicContact CE2-CD1 4.38Å; F259-F262 HydrophobicContact CE2-CE1 4.39Å; F259-F262 PolarHBondContact O-N 2.86Å; V260-F262 VanDerWaalsContact C-N 3.3Å; V260-F262 PolarHBondContact O-N 3.11Å; F262-N266 VanDerWaalsContact O-CA 3.27Å; F262-N266 WeakPolarHBondContact O-CA 3.49Å; F262-N266 PolarHBondContact O-N 3.46Å; F262-N266 VanDerWaalsContact O-N 3.1Å; F262-A270 HydrophobicContact CB-CB 4.29Å; F262-F271 HydrophobicContact CB-CB 4.16Å; F262-F271 HydrophobicContact CD1-CD2 4.06Å; F262-F271 HydrophobicContact CD2-CB 3.54Å; F262-F271 AromaticContact CD2-CD2 3.91Å; F262-F271 HydrophobicContact CD2-CD2 3.91Å; F262-F271 HydrophobicContact CD2-CG 4.02Å; F262-F271 AromaticContact CE1-CD2 3.9Å; F262-F271 HydrophobicContact CE1-CD2 3.9Å; F262-F271 HydrophobicContact CE1-CE2 4.38Å; F262-F271 HydrophobicContact CE2-CB 4.1Å; F262-F271 AromaticContact CE2-CD2 3.72Å; F262-F271 HydrophobicContact CE2-CD2 3.72Å; F262-F271 HydrophobicContact CE2-CE2 4.39Å; F262-F271 HydrophobicContact CE2-CG 4.07Å; F262-F271 HydrophobicContact CG-CB 3.84Å; F262-F271 HydrophobicContact CG-CD2 4.06Å; F262-F271 HydrophobicContact CG-CG 4.4Å; F262-F271 AromaticContact CZ-CD2 3.73Å; F262-F271 HydrophobicContact CZ-CD2 3.73Å; F262-F271 HydrophobicContact CZ-CE2 4.1Å; F262-F313 HydrophobicContact CE2-CE2 4.27Å; F262-F313 AromaticContact CE2-CZ 3.87Å; F262-F313 HydrophobicContact CE2-CZ 3.87Å; F262-F313 AromaticContact CZ-CE1 3.91Å; F262-F313 HydrophobicContact CZ-CE1 3.91Å; F262-F313 HydrophobicContact CZ-CE2 4.04Å; F262-F313 AromaticContact CZ-CZ 3.45Å; F262-F313 HydrophobicContact CZ-CZ 3.45Å; F262-F313 VanDerWaalsContact CZ-CZ 3.45Å
263L94.9Very high96.3Very high43 Ų4324 Ų2423%0.22511%0.112CC..Hα-helixtrans-72-43-167.8-178.768.3000112.7F259 V260 E308F259-L263 HydrophobicContact CE1-CB 4.26Å; F259-L263 HydrophobicContact CE1-CD2 3.61Å; F259-L263 HydrophobicContact CZ-CB 4.41Å; F259-L263 HydrophobicContact CZ-CD2 3.81Å; F259-L263 WeakPolarHBondContact O-CB 3.45Å; F259-L263 PolarHBondContact O-N 2.9Å; V260-L263 PolarHBondContact O-N 3.37Å; L263-E308 HydrophobicContact CD2-CB 3.88Å
264L95.6Very high96.2Very high20 Ų2024 Ų2411%0.10511%0.112CC..THydrogen-bonded Turntrans-99.1-35.1-175.6-59.5-179.2000111.8D35 F57 Y59 R74 W133 V260D35-L264 VanDerWaalsContact O-CD1 3.29Å; D35-L264 WeakPolarHBondContact O-CD1 3.21Å; F57-L264 HydrophobicContact CD1-CB 3.85Å; F57-L264 HydrophobicContact CD1-CD1 4.27Å; F57-L264 HydrophobicContact CE1-CB 3.83Å; Y59-L264 HydrophobicContact CE1-CB 4.3Å; R74-L264 WeakPolarHBondContact CD-O 3.34Å; R74-L264 PolarHBondContact NH1-O 3.38Å; W133-L264 HydrophobicContact CZ3-CD1 3.94Å; V260-L264 HydrophobicContact CG1-CD1 4.23Å; V260-L264 WeakPolarHBondContact O-CB 2.94Å; V260-L264 PolarHBondContact O-N 2.8Å
265G95.2Very high96Very high3 Ų326 Ų263%0.03112%0.12CC..THydrogen-bonded Turntrans-85.2-8.7178.900000114.5V260 C261 V267V260-G265 PolarHBondContact O-N 3.36Å; C261-G265 CarbonylContact O-C 3.5Å; C261-G265 WeakPolarHBondContact O-CA 3.48Å; C261-G265 PolarHBondContact O-N 2.94Å; C261-G265 VanDerWaalsContact O-N 3.08Å; G265-V267 PolarHBondContact O-N 2.84Å
266N94.4Very high95.9Very high86 Ų8631.9 Ų31.946%0.4614%0.143SC..  trans5531.2-174.2-61.9-14.1000113.3A157 C261 F262A157-N266 HydrophobicContact CB-CB 4.16Å; C261-N266 PolarHBondContact O-N 3.22Å; F262-N266 VanDerWaalsContact O-CA 3.27Å; F262-N266 WeakPolarHBondContact O-CA 3.49Å; F262-N266 PolarHBondContact O-N 3.46Å; F262-N266 VanDerWaalsContact O-N 3.1Å
267V95.1Very high95.8Very high6 Ų631.9 Ų31.94%0.03614%0.143CC..  trans-88.2111.2-177.5-172.90000110.3I155 C156 I206 C261 G265 E269 A270 F271I155-V267 HydrophobicContact CG2-CG2 3.56Å; C156-V267 WeakPolarHBondContact O-CG2 3.41Å; I206-V267 HydrophobicContact CD1-CG1 4.12Å; C261-V267 HydrophobicContact CB-CB 4.43Å; C261-V267 HydrophobicContact CB-CG2 4.33Å; C261-V267 WeakPolarHBondContact O-CB 3.44Å; C261-V267 WeakPolarHBondContact O-CG2 3.47Å; C261-V267 PolarHBondContact O-N 3.04Å; C261-V267 VanDerWaalsContact O-N 3.1Å; G265-V267 PolarHBondContact O-N 2.84Å; V267-E269 HydrophobicContact CG1-CB 4.36Å; V267-A270 HydrophobicContact CB-CB 3.92Å; V267-A270 HydrophobicContact CG1-CB 4Å; V267-A270 WeakPolarHBondContact O-CB 3.2Å; V267-A270 PolarHBondContact O-N 3.06Å; V267-F271 PolarHBondContact O-N 2.93Å
268Y92.1Very high95.7Very high151 Ų15131.9 Ų31.959%0.59214%0.143SC*.Hα-helixtrans-65.3-39.2-179.8179.7-102.6000113.2A270 F271 E272Y268-A270 PolarHBondContact O-N 3.26Å; Y268-F271 HydrophobicContact CD2-CD1 4.3Å; Y268-F271 HydrophobicContact CE2-CD1 4.07Å; Y268-F271 VanDerWaalsContact O-CB 3.28Å; Y268-F271 WeakPolarHBondContact O-CB 3.39Å; Y268-F271 PolarHBondContact O-N 2.84Å; Y268-E272 HydrophobicContact CD1-CG 4.29Å; Y268-E272 HydrophobicContact CE1-CG 3.65Å; Y268-E272 HydrophobicContact CE2-CG 4.35Å; Y268-E272 PolarHBondContact O-N 2.9Å; Y268-E272 PolarHBondContact OH-OE1 3.04Å
269E92.8Very high95.5Very high88 Ų8834.2 Ų34.241%0.41116%0.155SC..Hα-helixtrans-61.2-33.8177.3-66.1-178.1165.500112.1S159 V267 F271 E272 H273S159-E269 PolarHBondContact OG-OE1 3.43Å; V267-E269 HydrophobicContact CG1-CB 4.36Å; E269-F271 VanDerWaalsContact C-N 3.33Å; E269-E272 PolarHBondContact O-N 3Å; E269-H273 WeakPolarHBondContact O-CB 3.34Å; E269-H273 PolarHBondContact O-N 3.21Å
270A96.3Very high95.5Very high0 Ų034.6 Ų34.60%016%0.157CC..Hα-helixtrans-69.4-32.6175.900000112.1F208 A258 C261 F262 V267 Y268 W274F208-A270 HydrophobicContact CE2-CB 4.14Å; F208-A270 HydrophobicContact CZ-CB 3.86Å; A258-A270 WeakPolarHBondContact O-CB 3.33Å; C261-A270 HydrophobicContact CB-CB 3.6Å; F262-A270 HydrophobicContact CB-CB 4.29Å; V267-A270 HydrophobicContact CB-CB 3.92Å; V267-A270 HydrophobicContact CG1-CB 4Å; V267-A270 WeakPolarHBondContact O-CB 3.2Å; V267-A270 PolarHBondContact O-N 3.06Å; Y268-A270 PolarHBondContact O-N 3.26Å; A270-W274 VanDerWaalsContact O-CB 3.26Å; A270-W274 WeakPolarHBondContact O-CB 3.38Å; A270-W274 PolarHBondContact O-N 3.5Å
271F94.1Very high95.4Very high11 Ų1134.5 Ų34.55%0.04816%0.157CC..Hα-helixtrans-64.7-49.7171.4174.8-115.7000111.4F262 V267 Y268 E269 H273 W274 K275 F313 I317 F323F262-F271 HydrophobicContact CB-CB 4.16Å; F262-F271 HydrophobicContact CD1-CD2 4.06Å; F262-F271 HydrophobicContact CD2-CB 3.54Å; F262-F271 AromaticContact CD2-CD2 3.91Å; F262-F271 HydrophobicContact CD2-CD2 3.91Å; F262-F271 HydrophobicContact CD2-CG 4.02Å; F262-F271 AromaticContact CE1-CD2 3.9Å; F262-F271 HydrophobicContact CE1-CD2 3.9Å; F262-F271 HydrophobicContact CE1-CE2 4.38Å; F262-F271 HydrophobicContact CE2-CB 4.1Å; F262-F271 AromaticContact CE2-CD2 3.72Å; F262-F271 HydrophobicContact CE2-CD2 3.72Å; F262-F271 HydrophobicContact CE2-CE2 4.39Å; F262-F271 HydrophobicContact CE2-CG 4.07Å; F262-F271 HydrophobicContact CG-CB 3.84Å; F262-F271 HydrophobicContact CG-CD2 4.06Å; F262-F271 HydrophobicContact CG-CG 4.4Å; F262-F271 AromaticContact CZ-CD2 3.73Å; F262-F271 HydrophobicContact CZ-CD2 3.73Å; F262-F271 HydrophobicContact CZ-CE2 4.1Å; V267-F271 PolarHBondContact O-N 2.93Å; Y268-F271 HydrophobicContact CD2-CD1 4.3Å; Y268-F271 HydrophobicContact CE2-CD1 4.07Å; Y268-F271 VanDerWaalsContact O-CB 3.28Å; Y268-F271 WeakPolarHBondContact O-CB 3.39Å; Y268-F271 PolarHBondContact O-N 2.84Å; E269-F271 VanDerWaalsContact C-N 3.33Å; F271-H273 VanDerWaalsContact C-N 3.31Å; F271-H273 PolarHBondContact O-N 3.47Å; F271-W274 HydrophobicContact CD2-CE3 4.02Å; F271-W274 HydrophobicContact CD2-CZ3 4.29Å; F271-W274 HydrophobicContact CE2-CE3 4.17Å; F271-W274 HydrophobicContact CE2-CZ3 4.01Å; F271-W274 PolarHBondContact O-N 3.41Å; F271-K275 HydrophobicContact CD1-CD 3.8Å; F271-K275 HydrophobicContact CD2-CD 4.31Å; F271-K275 HydrophobicContact CD2-CG 4.41Å; F271-K275 HydrophobicContact CE1-CD 3.42Å; F271-K275 VanDerWaalsContact CE1-CD 3.42Å; F271-K275 HydrophobicContact CE1-CG 4.45Å; F271-K275 HydrophobicContact CE2-CD 3.95Å; F271-K275 HydrophobicContact CE2-CG 4.19Å; F271-K275 HydrophobicContact CG-CD 4.26Å; F271-K275 HydrophobicContact CZ-CD 3.52Å; F271-K275 HydrophobicContact CZ-CG 4.24Å; F271-K275 VanDerWaalsContact O-CG 3.28Å; F271-K275 WeakPolarHBondContact O-CG 3.31Å; F271-K275 PolarHBondContact O-N 2.94Å; F271-F313 HydrophobicContact CE2-CE1 4.13Å; F271-F313 HydrophobicContact CE2-CZ 4.13Å; F271-F313 HydrophobicContact CZ-CE1 4.34Å; F271-F313 HydrophobicContact CZ-CZ 4.25Å; F271-I317 HydrophobicContact CZ-CG2 4.18Å; F271-F323 HydrophobicContact CE2-CE1 4.35Å; F271-F323 HydrophobicContact CZ-CE1 4.2Å
272E93.5Very high95.3Very high56 Ų5634.5 Ų34.526%0.26216%0.157SC..Hα-helixtrans-61.9-38.8178.1-74.5-60.8122.200112.1Y268 E269 K275 R276Y268-E272 HydrophobicContact CD1-CG 4.29Å; Y268-E272 HydrophobicContact CE1-CG 3.65Å; Y268-E272 HydrophobicContact CE2-CG 4.35Å; Y268-E272 PolarHBondContact O-N 2.9Å; Y268-E272 PolarHBondContact OH-OE1 3.04Å; E269-E272 PolarHBondContact O-N 3Å; E272-K275 WeakPolarHBondContact O-CB 3.26Å; E272-K275 PolarHBondContact O-N 2.98Å; E272-K275 WeakPolarHBondContact OE1-CD 3.16Å; E272-K275 IonicContact OE1-NZ 3.49Å; E272-K275 PolarHBondContact OE1-NZ 2.88Å; E272-K275 IonicContact OE2-NZ 3.99Å; E272-R276 VanDerWaalsContact O-CG 3.29Å; E272-R276 WeakPolarHBondContact O-CG 3.48Å; E272-R276 PolarHBondContact O-N 3.39Å
273H96.7Very high95.3Very high13 Ų1337.5 Ų37.56%0.0617%0.168CC..Hα-helixtrans-65.4-47173.5-171.264.8000112.4F208 S209 E254 E269 F271 K275 R276 L277F208-H273 AromaticContact CD1-CD2 3.21Å; F208-H273 WeakPolarHBondContact CD1-CD2 3.37Å; F208-H273 AromaticContact CD1-CG 3.93Å; F208-H273 AromaticContact CD1-NE2 3.55Å; F208-H273 HydrophobicContact CD2-CB 3.92Å; F208-H273 AromaticContact CD2-CD2 3.99Å; F208-H273 AromaticContact CD2-CG 3.86Å; F208-H273 AromaticContact CE1-CD2 3.63Å; F208-H273 HydrophobicContact CE2-CB 3.99Å; F208-H273 HydrophobicContact CG-CB 4.24Å; F208-H273 AromaticContact CG-CD2 3.42Å; F208-H273 VanDerWaalsContact CG-CD2 3.42Å; F208-H273 WeakPolarHBondContact CG-CD2 3.45Å; F208-H273 AromaticContact CG-CG 3.67Å; F208-H273 AromaticContact CG-NE2 3.71Å; F208-H273 HydrophobicContact CZ-CB 4.36Å; S209-H273 PolarHBondContact O-CE1 3.39Å; E254-H273 IonicContact OE1-CD2 2.72Å; E254-H273 IonicContact OE1-CE1 3.27Å; E254-H273 PolarHBondContact OE1-CE1 2.89Å; E254-H273 IonicContact OE1-NE2 2.56Å; E254-H273 PolarHBondContact OE1-NE2 2.89Å; E269-H273 WeakPolarHBondContact O-CB 3.34Å; E269-H273 PolarHBondContact O-N 3.21Å; F271-H273 VanDerWaalsContact C-N 3.31Å; F271-H273 PolarHBondContact O-N 3.47Å; H273-K275 VanDerWaalsContact C-N 3.28Å; H273-K275 PolarHBondContact O-N 3.45Å; H273-R276 PolarHBondContact O-N 3.3Å; H273-L277 WeakPolarHBondContact O-CB 3.08Å; H273-L277 PolarHBondContact O-N 3.31Å
274W97Very high95.4Very high1 Ų135.5 Ų35.50%0.00416%0.157CC..Hα-helixtrans-55.6-44.1175.8173.779.7000111.4L255 A258 F259 A270 F271 L278 I309 F323 L324L255-W274 VanDerWaalsContact CD1-CD1 3.43Å; L255-W274 HydrophobicContact CD1-CG 4.32Å; A258-W274 HydrophobicContact CB-CB 4.01Å; F259-W274 HydrophobicContact CD2-CD2 4.39Å; F259-W274 AromaticContact CD2-CE2 3.9Å; F259-W274 HydrophobicContact CD2-CZ2 4.15Å; F259-W274 AromaticContact CD2-NE1 3.84Å; F259-W274 HydrophobicContact CE2-CZ2 4.42Å; A270-W274 VanDerWaalsContact O-CB 3.26Å; A270-W274 WeakPolarHBondContact O-CB 3.38Å; A270-W274 PolarHBondContact O-N 3.5Å; F271-W274 HydrophobicContact CD2-CE3 4.02Å; F271-W274 HydrophobicContact CD2-CZ3 4.29Å; F271-W274 HydrophobicContact CE2-CE3 4.17Å; F271-W274 HydrophobicContact CE2-CZ3 4.01Å; F271-W274 PolarHBondContact O-N 3.41Å; W274-L278 HydrophobicContact CH2-CD2 4.33Å; W274-L278 HydrophobicContact CZ2-CD2 3.98Å; W274-L278 WeakPolarHBondContact O-CB 3.38Å; W274-L278 PolarHBondContact O-N 2.53Å; W274-I309 HydrophobicContact CH2-CD1 4.26Å; W274-F323 HydrophobicContact CE3-CZ 4.21Å; W274-F323 HydrophobicContact CH2-CZ 4.16Å; W274-F323 HydrophobicContact CZ3-CE1 4.32Å; W274-F323 AromaticContact CZ3-CZ 3.56Å; W274-F323 HydrophobicContact CZ3-CZ 3.56Å; W274-L324 HydrophobicContact CH2-CD1 4.19Å; W274-L324 HydrophobicContact CH2-CD2 3.73Å; W274-L324 HydrophobicContact CH2-CG 4.47Å; W274-L324 HydrophobicContact CZ2-CD2 4.44Å; W274-L324 HydrophobicContact CZ3-CD2 4.32Å
275K94.2Very high95.3Very high43 Ų4338.5 Ų38.519%0.18717%0.17CC..Hα-helixtrans-57.6-52.9174.5-73175.158-171.70112.6F271 E272 H273 L278 N279 F323F271-K275 HydrophobicContact CD1-CD 3.8Å; F271-K275 HydrophobicContact CD2-CD 4.31Å; F271-K275 HydrophobicContact CD2-CG 4.41Å; F271-K275 HydrophobicContact CE1-CD 3.42Å; F271-K275 VanDerWaalsContact CE1-CD 3.42Å; F271-K275 HydrophobicContact CE1-CG 4.45Å; F271-K275 HydrophobicContact CE2-CD 3.95Å; F271-K275 HydrophobicContact CE2-CG 4.19Å; F271-K275 HydrophobicContact CG-CD 4.26Å; F271-K275 HydrophobicContact CZ-CD 3.52Å; F271-K275 HydrophobicContact CZ-CG 4.24Å; F271-K275 VanDerWaalsContact O-CG 3.28Å; F271-K275 WeakPolarHBondContact O-CG 3.31Å; F271-K275 PolarHBondContact O-N 2.94Å; E272-K275 WeakPolarHBondContact O-CB 3.26Å; E272-K275 PolarHBondContact O-N 2.98Å; E272-K275 WeakPolarHBondContact OE1-CD 3.16Å; E272-K275 IonicContact OE1-NZ 3.49Å; E272-K275 PolarHBondContact OE1-NZ 2.88Å; E272-K275 IonicContact OE2-NZ 3.99Å; H273-K275 VanDerWaalsContact C-N 3.28Å; H273-K275 PolarHBondContact O-N 3.45Å; K275-L278 PolarHBondContact O-N 3.36Å; K275-N279 WeakPolarHBondContact O-CB 3.38Å; K275-N279 PolarHBondContact O-N 2.86Å; K275-F323 HydrophobicContact CB-CD2 4.46Å; K275-F323 HydrophobicContact CB-CE2 4.09Å; K275-F323 HydrophobicContact CB-CZ 4.31Å; K275-F323 HydrophobicContact CD-CD1 4.11Å; K275-F323 HydrophobicContact CD-CE1 3.84Å; K275-F323 HydrophobicContact CD-CZ 4.1Å; K275-F323 HydrophobicContact CG-CD1 4.25Å; K275-F323 HydrophobicContact CG-CD2 4.2Å; K275-F323 HydrophobicContact CG-CE1 3.69Å; K275-F323 HydrophobicContact CG-CE2 3.67Å; K275-F323 HydrophobicContact CG-CG 4.48Å; K275-F323 HydrophobicContact CG-CZ 3.4Å; K275-F323 VanDerWaalsContact CG-CZ 3.4Å
276R95.7Very high95.3Very high124 Ų12440.9 Ų40.947%0.46819%0.19SC..Hα-helixtrans-64.6-42.4-176.5-70.5174.566.4-164.4-0.3111.7L211 E272 H273 N279 L280L211-R276 HydrophobicContact CD1-CB 3.46Å; L211-R276 VanDerWaalsContact CD1-CB 3.46Å; E272-R276 VanDerWaalsContact O-CG 3.29Å; E272-R276 WeakPolarHBondContact O-CG 3.48Å; E272-R276 PolarHBondContact O-N 3.39Å; H273-R276 PolarHBondContact O-N 3.3Å; R276-N279 PolarHBondContact O-N 2.9Å; R276-L280 WeakPolarHBondContact O-CB 3.49Å; R276-L280 PolarHBondContact O-N 3.32Å
277L97.5Very high95.3Very high1 Ų136.9 Ų36.91%0.00517%0.168CC..Hα-helixtrans-67.3-41.8177.8-177.457000111.5L211 V251 E254 L255 H273 L280 L281L211-L277 HydrophobicContact CD1-CB 4.33Å; L211-L277 HydrophobicContact CD2-CD1 4.08Å; V251-L277 HydrophobicContact CG2-CD1 3.79Å; V251-L277 HydrophobicContact CG2-CD2 4.22Å; V251-L277 HydrophobicContact CG2-CG 4.49Å; E254-L277 HydrophobicContact CG-CD2 4.47Å; L255-L277 HydrophobicContact CB-CD2 3.95Å; L255-L277 HydrophobicContact CD1-CB 4.3Å; L255-L277 HydrophobicContact CD1-CD2 4.05Å; L255-L277 HydrophobicContact CD1-CG 4.11Å; H273-L277 WeakPolarHBondContact O-CB 3.08Å; H273-L277 PolarHBondContact O-N 3.31Å; L277-L280 PolarHBondContact O-N 2.97Å; L277-L281 HydrophobicContact CG-CD1 4.27Å; L277-L281 WeakPolarHBondContact O-CG 3.21Å; L277-L281 PolarHBondContact O-N 3.4Å
278L96.6Very high95.3Very high0 Ų036.6 Ų36.60%017%0.167CC..Hα-helixtrans-61.9-45.5175-178.957.2000111.6L255 W274 K275 L280 L281 C282 L298 L302 F323 L324 T327L255-L278 HydrophobicContact CD1-CB 4.41Å; W274-L278 HydrophobicContact CH2-CD2 4.33Å; W274-L278 HydrophobicContact CZ2-CD2 3.98Å; W274-L278 WeakPolarHBondContact O-CB 3.38Å; W274-L278 PolarHBondContact O-N 2.53Å; K275-L278 PolarHBondContact O-N 3.36Å; L278-L280 VanDerWaalsContact C-N 3.33Å; L278-L280 PolarHBondContact O-N 3.42Å; L278-L281 PolarHBondContact O-N 3.42Å; L278-C282 VanDerWaalsContact O-CB 3.31Å; L278-C282 WeakPolarHBondContact O-CB 3.47Å; L278-C282 PolarHBondContact O-N 2.74Å; L278-C282 PolarHBondContact O-SG 3.46Å; L278-L298 HydrophobicContact CD1-CD1 4.33Å; L278-L302 HydrophobicContact CD1-CD1 3.89Å; L278-L302 HydrophobicContact CD1-CD2 3.77Å; L278-L302 HydrophobicContact CD1-CG 4.38Å; L278-L302 HydrophobicContact CD2-CD2 4.04Å; L278-F323 HydrophobicContact CD2-CE2 4.43Å; L278-L324 HydrophobicContact CD2-CD2 3.61Å; L278-T327 HydrophobicContact CG-CG2 4.34Å
279N95.1Very high95.4Very high48 Ų4833 Ų3326%0.25716%0.16SC..Hα-helixtrans-60-42.5175.8175.577.2000112.1K275 R276 L281 C282 R283 T327K275-N279 WeakPolarHBondContact O-CB 3.38Å; K275-N279 PolarHBondContact O-N 2.86Å; R276-N279 PolarHBondContact O-N 2.9Å; N279-L281 PolarHBondContact O-N 3.01Å; N279-C282 PolarHBondContact O-N 3.46Å; N279-R283 WeakPolarHBondContact O-CB 3.23Å; N279-R283 WeakPolarHBondContact O-CG 3.33Å; N279-R283 PolarHBondContact O-N 3.1Å; N279-R283 WeakPolarHBondContact OD1-CD 3.3Å; N279-T327 HydrophobicContact CB-CG2 4.42Å
280L96.9Very high95.5Very high8 Ų834.8 Ų34.84%0.04217%0.167CC..Hα-helixtrans-59.8-45.8175.9-178.460.4000111.7L211 L232 A235 L236 V239 R276 L277 L278 S284L211-L280 HydrophobicContact CD2-CD2 4.13Å; L232-L280 HydrophobicContact CB-CD1 3.85Å; L232-L280 HydrophobicContact CD1-CD1 4.21Å; A235-L280 HydrophobicContact CB-CD1 3.85Å; L236-L280 HydrophobicContact CB-CD1 4.12Å; L236-L280 HydrophobicContact CB-CG 4.08Å; L236-L280 HydrophobicContact CD1-CD2 4.23Å; L236-L280 HydrophobicContact CD1-CG 4.17Å; V239-L280 HydrophobicContact CG2-CD2 3.99Å; R276-L280 WeakPolarHBondContact O-CB 3.49Å; R276-L280 PolarHBondContact O-N 3.32Å; L277-L280 PolarHBondContact O-N 2.97Å; L278-L280 VanDerWaalsContact C-N 3.33Å; L278-L280 PolarHBondContact O-N 3.42Å; L280-S284 WeakPolarHBondContact O-CB 3.38Å; L280-S284 PolarHBondContact O-OG 3.24Å
281L97.1Very high95.5Very high0 Ų036.4 Ų36.40%017%0.174CC..Hα-helixtrans-64.5-50.8176.8-70.2164.8000111.2L236 V251 L255 L277 L278 N279 R283 S284 L294 Y295 L298L236-L281 HydrophobicContact CD1-CD2 3.81Å; L236-L281 HydrophobicContact CD2-CD2 4.07Å; V251-L281 HydrophobicContact CG1-CD2 4.39Å; L255-L281 HydrophobicContact CD2-CD1 4.23Å; L277-L281 HydrophobicContact CG-CD1 4.27Å; L277-L281 WeakPolarHBondContact O-CG 3.21Å; L277-L281 PolarHBondContact O-N 3.4Å; L278-L281 PolarHBondContact O-N 3.42Å; N279-L281 PolarHBondContact O-N 3.01Å; L281-R283 VanDerWaalsContact C-N 3.33Å; L281-R283 PolarHBondContact O-N 3.43Å; L281-S284 PolarHBondContact O-N 3.1Å; L281-L294 HydrophobicContact CD2-CD2 3.85Å; L281-Y295 VanDerWaalsContact O-CE1 3.3Å; L281-Y295 WeakPolarHBondContact O-CE1 3.36Å; L281-Y295 PolarHBondContact O-OH 3.35Å; L281-Y295 VanDerWaalsContact O-OH 3.06Å; L281-L298 HydrophobicContact CB-CD2 3.94Å; L281-L298 HydrophobicContact CD1-CD1 4.13Å; L281-L298 HydrophobicContact CD1-CD2 4.34Å
282C95.8Very high95.5Very high0 Ų039.5 Ų39.50%019%0.189CC..Hα-helixtrans-67.1-29.3-173.4-77.40000114.2L278 N279 M288 T327 F331L278-C282 VanDerWaalsContact O-CB 3.31Å; L278-C282 WeakPolarHBondContact O-CB 3.47Å; L278-C282 PolarHBondContact O-N 2.74Å; L278-C282 PolarHBondContact O-SG 3.46Å; N279-C282 PolarHBondContact O-N 3.46Å; C282-M288 VanDerWaalsContact O-CE 3.28Å; C282-M288 WeakPolarHBondContact O-CE 3.49Å; C282-T327 HydrophobicContact CB-CG2 3.4Å; C282-T327 VanDerWaalsContact CB-CG2 3.4Å; C282-F331 HydrophobicContact CB-CB 3.87Å; C282-F331 HydrophobicContact CB-CD2 4.33Å; C282-F331 HydrophobicContact CB-CG 4.47Å
283R95Very high95.6Very high86 Ų8640 Ų4033%0.32520%0.195SC..THydrogen-bonded Turntrans-95.917179.5-62.4-177.359.7172.6-4.1114.1S229 L232 N279 L281 V330S229-R283 PolarHBondContact O-NH2 2.93Å; L232-R283 HydrophobicContact CB-CB 4.39Å; L232-R283 HydrophobicContact CD1-CB 3.81Å; L232-R283 HydrophobicContact CG-CB 3.86Å; L232-R283 PolarHBondContact N-O 3.27Å; N279-R283 WeakPolarHBondContact O-CB 3.23Å; N279-R283 WeakPolarHBondContact O-CG 3.33Å; N279-R283 PolarHBondContact O-N 3.1Å; N279-R283 WeakPolarHBondContact OD1-CD 3.3Å; L281-R283 VanDerWaalsContact C-N 3.33Å; L281-R283 PolarHBondContact O-N 3.43Å; R283-V330 HydrophobicContact CG-CB 4.46Å; R283-V330 HydrophobicContact CG-CG1 3.98Å
284S95.9Very high95.7Very high0 Ų039.3 Ų39.30%019%0.192CC..  trans-107.377.8-179.6-68.50000111.6D231 L232 S233 L236 L280 L281 A287 M288 Y295D231-S284 WeakPolarHBondContact OD1-CA 3.25Å; L232-S284 PolarHBondContact O-OG 3.34Å; S233-S284 PolarHBondContact N-OG 3.47Å; S233-S284 WeakPolarHBondContact OG-CA 3.38Å; L236-S284 WeakPolarHBondContact CB-OG 3.31Å; L280-S284 WeakPolarHBondContact O-CB 3.38Å; L280-S284 PolarHBondContact O-OG 3.24Å; L281-S284 PolarHBondContact O-N 3.1Å; S284-A287 WeakPolarHBondContact O-CB 3.48Å; S284-A287 PolarHBondContact O-N 3.36Å; S284-M288 WeakPolarHBondContact O-CG 3.33Å; S284-M288 PolarHBondContact O-N 2.71Å; S284-Y295 WeakPolarHBondContact CB-OH 3.45Å; S284-Y295 PolarHBondContact O-OH 2.94Å
285E94.4Very high95.7Very high84 Ų8439.3 Ų39.339%0.39319%0.192SC..Hα-helixtrans-63.9-52-173.5178.8170.3157.800113D231 S233 A287 M288 S334D231-E285 PolarHBondContact OD1-N 3.32Å; S233-E285 PolarHBondContact OG-N 3.15Å; E285-A287 PolarHBondContact O-N 3.38Å; E285-M288 VanDerWaalsContact O-CB 3.31Å; E285-M288 WeakPolarHBondContact O-CB 3.48Å; E285-M288 PolarHBondContact O-N 3.36Å; E285-S334 PolarHBondContact OE2-OG 2.93Å
286A94.9Very high95.9Very high53 Ų5338.8 Ų38.844%0.43819%0.191SC..Hα-helixtrans-60.4-31.7178.800000112.3D231 S233 M288 V289 K290D231-A286 WeakPolarHBondContact OD2-CB 3.48Å; D231-A286 PolarHBondContact OD2-N 2.91Å; S233-A286 PolarHBondContact OG-N 3.47Å; S233-A286 VanDerWaalsContact OG-N 3.08Å; A286-M288 VanDerWaalsContact C-N 3.3Å; A286-M288 PolarHBondContact O-N 2.98Å; A286-V289 PolarHBondContact O-N 2.85Å; A286-K290 PolarHBondContact O-N 3.44Å
287A95.4Very high96Very high1 Ų134.8 Ų34.81%0.00818%0.179CC..Hα-helixtrans-67.5-28.1174.400000112.7S233 L236 S284 E285 V289 K290 H291 Y295S233-A287 PolarHBondContact OG-N 2.96Å; L236-A287 HydrophobicContact CD2-CB 3.76Å; S284-A287 WeakPolarHBondContact O-CB 3.48Å; S284-A287 PolarHBondContact O-N 3.36Å; E285-A287 PolarHBondContact O-N 3.38Å; A287-V289 VanDerWaalsContact C-N 3.3Å; A287-V289 PolarHBondContact O-N 2.77Å; A287-K290 PolarHBondContact O-N 2.74Å; A287-H291 WeakPolarHBondContact O-CB 3.37Å; A287-H291 PolarHBondContact O-N 2.82Å; A287-Y295 HydrophobicContact CB-CE2 4.27Å; A287-Y295 WeakPolarHBondContact O-CE2 3.41Å
288M94.8Very high96Very high0 Ų034.7 Ų34.70%018%0.179CC..Hα-helixtrans-63.7-37.1175.4-62.2-174.7-167.400112.4C282 S284 E285 A286 H292 Y295 F331 A335 V340C282-M288 VanDerWaalsContact O-CE 3.28Å; C282-M288 WeakPolarHBondContact O-CE 3.49Å; S284-M288 WeakPolarHBondContact O-CG 3.33Å; S284-M288 PolarHBondContact O-N 2.71Å; E285-M288 VanDerWaalsContact O-CB 3.31Å; E285-M288 WeakPolarHBondContact O-CB 3.48Å; E285-M288 PolarHBondContact O-N 3.36Å; A286-M288 VanDerWaalsContact C-N 3.3Å; A286-M288 PolarHBondContact O-N 2.98Å; M288-H292 WeakPolarHBondContact O-CA 3.18Å; M288-H292 PolarHBondContact O-N 3.22Å; M288-Y295 VanDerWaalsContact CA-CE2 3.41Å; M288-Y295 HydrophobicContact CB-CD2 4.16Å; M288-Y295 HydrophobicContact CB-CE2 4.15Å; M288-Y295 HydrophobicContact CB-CG 4.49Å; M288-Y295 HydrophobicContact CE-CE1 4.12Å; M288-Y295 HydrophobicContact CG-CD1 3.94Å; M288-Y295 HydrophobicContact CG-CD2 3.99Å; M288-Y295 HydrophobicContact CG-CE1 3.7Å; M288-Y295 HydrophobicContact CG-CE2 3.79Å; M288-Y295 HydrophobicContact CG-CG 4.04Å; M288-F331 HydrophobicContact CE-CD2 3.41Å; M288-F331 VanDerWaalsContact CE-CD2 3.41Å; M288-F331 HydrophobicContact CE-CE2 3.74Å; M288-F331 HydrophobicContact CE-CG 4.45Å; M288-F331 HydrophobicContact SD-CD2 4.34Å; M288-F331 HydrophobicContact SD-CE2 4.16Å; M288-A335 HydrophobicContact SD-CB 3.88Å; M288-V340 HydrophobicContact CB-CG2 4.45Å
289V93.9Very high96.1Very high75 Ų7535 Ų3546%0.45518%0.18SC..Hα-helixtrans-69.3-44.6176-177.10000110.3A286 A287 V340A286-V289 PolarHBondContact O-N 2.85Å; A287-V289 VanDerWaalsContact C-N 3.3Å; A287-V289 PolarHBondContact O-N 2.77Å; V289-V340 HydrophobicContact CG2-CG2 4.48Å
290K95Very high96.2Very high126 Ų12634.6 Ų34.655%0.54818%0.181SC..Hα-helixtrans-72.9-39.1-176.9-174.3177.8168.4-163.80113.5E237 A286 A287E237-K290 WeakPolarHBondContact OE1-CD 3.36Å; E237-K290 WeakPolarHBondContact OE1-CE 3.37Å; E237-K290 IonicContact OE1-NZ 2.87Å; E237-K290 PolarHBondContact OE1-NZ 2.9Å; E237-K290 IonicContact OE2-NZ 2.78Å; E237-K290 PolarHBondContact OE2-NZ 3.11Å; A286-K290 PolarHBondContact O-N 3.44Å; A287-K290 PolarHBondContact O-N 2.74Å
291H95.6Very high96.3Very high34 Ų3434.2 Ų34.216%0.15718%0.179CC..THydrogen-bonded Turntrans-118.245.1-171.5-59.3-72.4000112.5E237 A287 T293 L294 Y295E237-H291 IonicContact OE1-CD2 3.28Å; E237-H291 PolarHBondContact OE1-CD2 3.42Å; E237-H291 IonicContact OE1-CE1 3.83Å; E237-H291 IonicContact OE1-NE2 3.91Å; E237-H291 PolarHBondContact OE1-NE2 3.45Å; A287-H291 WeakPolarHBondContact O-CB 3.37Å; A287-H291 PolarHBondContact O-N 2.82Å; H291-T293 PolarHBondContact O-N 3.42Å; H291-L294 HydrophobicContact CB-CB 3.9Å; H291-L294 HydrophobicContact CB-CD2 4.38Å; H291-L294 WeakPolarHBondContact O-CA 3.31Å; H291-L294 WeakPolarHBondContact O-CB 3.36Å; H291-L294 PolarHBondContact O-N 3.18Å; H291-Y295 HydrophobicContact CB-CE2 4.43Å; H291-Y295 WeakPolarHBondContact O-CD2 3.32Å; H291-Y295 PolarHBondContact O-N 3.43Å
292H94.4Very high96.3Very high77 Ų7734.3 Ų34.336%0.35618%0.18SC..Hα-helixtrans-50.2-38.8-173.263.280.4000114.3M288 L294 Y295 I296 D341 L344M288-H292 WeakPolarHBondContact O-CA 3.18Å; M288-H292 PolarHBondContact O-N 3.22Å; H292-L294 VanDerWaalsContact C-N 3.32Å; H292-L294 PolarHBondContact O-N 2.8Å; H292-Y295 PolarHBondContact O-N 3.42Å; H292-I296 WeakPolarHBondContact O-CG1 3.4Å; H292-I296 PolarHBondContact O-N 3.39Å; H292-D341 HydrophobicContact CB-CB 3.95Å; H292-L344 HydrophobicContact CB-CD2 4.33Å
293T96.1Very high96.3Very high65 Ų6539.5 Ų39.540%0.39920%0.2SC..Hα-helixtrans-63.1-37.2178.2-54.90000112.3H291 Y295 I296 N297H291-T293 PolarHBondContact O-N 3.42Å; T293-Y295 VanDerWaalsContact C-N 3.31Å; T293-Y295 PolarHBondContact O-N 2.97Å; T293-I296 PolarHBondContact O-N 2.8Å; T293-N297 PolarHBondContact O-N 3.34Å; T293-N297 PolarHBondContact O-ND2 3.47Å
294L97.4Very high96.4Very high0 Ų038.6 Ų38.60%020%0.2CC..Hα-helixtrans-56.8-48.2175.9-175.992.2000110.2P248 Q249 V251 L252 L281 H291 H292 N297 L298P248-L294 WeakPolarHBondContact O-CD1 3.46Å; Q249-L294 VanDerWaalsContact NE2-CA 3.28Å; V251-L294 HydrophobicContact CG1-CD1 3.79Å; L252-L294 HydrophobicContact CD1-CD1 4.28Å; L252-L294 HydrophobicContact CD2-CD1 4.35Å; L252-L294 HydrophobicContact CD2-CG 4.48Å; L252-L294 HydrophobicContact CG-CD1 4.08Å; L281-L294 HydrophobicContact CD2-CD2 3.85Å; H291-L294 HydrophobicContact CB-CB 3.9Å; H291-L294 HydrophobicContact CB-CD2 4.38Å; H291-L294 WeakPolarHBondContact O-CA 3.31Å; H291-L294 WeakPolarHBondContact O-CB 3.36Å; H291-L294 PolarHBondContact O-N 3.18Å; H292-L294 VanDerWaalsContact C-N 3.32Å; H292-L294 PolarHBondContact O-N 2.8Å; L294-N297 PolarHBondContact O-N 3.04Å; L294-L298 WeakPolarHBondContact O-CB 3.3Å; L294-L298 PolarHBondContact O-N 3.31Å
295Y97.9Very high96.4Very high0 Ų038.6 Ų38.60%020%0.2CC..Hα-helixtrans-75-32.3-176.6-71.4-81.3000113.1L236 L281 S284 A287 M288 H291 H292 T293 N297 L298 I299 F331 L344L236-Y295 WeakPolarHBondContact CD2-OH 3.46Å; L281-Y295 VanDerWaalsContact O-CE1 3.3Å; L281-Y295 WeakPolarHBondContact O-CE1 3.36Å; L281-Y295 PolarHBondContact O-OH 3.35Å; L281-Y295 VanDerWaalsContact O-OH 3.06Å; S284-Y295 WeakPolarHBondContact CB-OH 3.45Å; S284-Y295 PolarHBondContact O-OH 2.94Å; A287-Y295 HydrophobicContact CB-CE2 4.27Å; A287-Y295 WeakPolarHBondContact O-CE2 3.41Å; M288-Y295 VanDerWaalsContact CA-CE2 3.41Å; M288-Y295 HydrophobicContact CB-CD2 4.16Å; M288-Y295 HydrophobicContact CB-CE2 4.15Å; M288-Y295 HydrophobicContact CB-CG 4.49Å; M288-Y295 HydrophobicContact CE-CE1 4.12Å; M288-Y295 HydrophobicContact CG-CD1 3.94Å; M288-Y295 HydrophobicContact CG-CD2 3.99Å; M288-Y295 HydrophobicContact CG-CE1 3.7Å; M288-Y295 HydrophobicContact CG-CE2 3.79Å; M288-Y295 HydrophobicContact CG-CG 4.04Å; H291-Y295 HydrophobicContact CB-CE2 4.43Å; H291-Y295 WeakPolarHBondContact O-CD2 3.32Å; H291-Y295 PolarHBondContact O-N 3.43Å; H292-Y295 PolarHBondContact O-N 3.42Å; T293-Y295 VanDerWaalsContact C-N 3.31Å; T293-Y295 PolarHBondContact O-N 2.97Å; Y295-N297 VanDerWaalsContact C-N 3.26Å; Y295-N297 PolarHBondContact O-N 3.34Å; Y295-L298 HydrophobicContact CD1-CD2 3.93Å; Y295-L298 HydrophobicContact CE1-CD2 4.23Å; Y295-L298 PolarHBondContact O-N 3.06Å; Y295-I299 WeakPolarHBondContact O-CG1 3.39Å; Y295-I299 PolarHBondContact O-N 3.34Å; Y295-F331 AromaticContact CD1-CE2 3.73Å; Y295-F331 HydrophobicContact CD1-CE2 3.73Å; Y295-F331 HydrophobicContact CE1-CE2 4.3Å; Y295-L344 HydrophobicContact CG-CD2 4.44Å
296I97.6Very high96.3Very high32 Ų3234.7 Ų34.716%0.16418%0.181CC..Hα-helixtrans-59.2-42.6169.6-71.7169.9000110.1H292 T293 S300 T343 L344 K347H292-I296 WeakPolarHBondContact O-CG1 3.4Å; H292-I296 PolarHBondContact O-N 3.39Å; T293-I296 PolarHBondContact O-N 2.8Å; I296-S300 PolarHBondContact O-N 3.01Å; I296-T343 HydrophobicContact CD1-CG2 4.21Å; I296-L344 HydrophobicContact CD1-CB 4.35Å; I296-L344 HydrophobicContact CG1-CB 3.95Å; I296-L344 HydrophobicContact CG1-CD1 4.01Å; I296-K347 HydrophobicContact CG2-CD 3.94Å; I296-K347 WeakPolarHBondContact O-CE 3.44Å; I296-K347 PolarHBondContact O-NZ 3.47Å
297N98.2Very high96.1Very high40 Ų4033.7 Ų33.721%0.21418%0.176CC..Hα-helixtrans-72.5-39.7177.9-70.8-26.2000112F139 Q249 L252 T293 L294 Y295 I299 S300 I301F139-N297 HydrophobicContact CE1-CB 4.43Å; F139-N297 HydrophobicContact CE2-CB 4.11Å; F139-N297 HydrophobicContact CZ-CB 3.61Å; Q249-N297 PolarHBondContact OE1-ND2 3.45Å; L252-N297 HydrophobicContact CD1-CB 3.52Å; T293-N297 PolarHBondContact O-N 3.34Å; T293-N297 PolarHBondContact O-ND2 3.47Å; L294-N297 PolarHBondContact O-N 3.04Å; Y295-N297 VanDerWaalsContact C-N 3.26Å; Y295-N297 PolarHBondContact O-N 3.34Å; N297-I299 VanDerWaalsContact C-N 3.33Å; N297-I299 PolarHBondContact O-N 3.07Å; N297-S300 WeakPolarHBondContact O-CA 3.18Å; N297-S300 WeakPolarHBondContact O-CB 3.46Å; N297-S300 PolarHBondContact O-N 2.63Å; N297-I301 WeakPolarHBondContact O-CG1 3.18Å; N297-I301 PolarHBondContact O-N 3.32Å
298L98.4Very high95.9Very high0 Ų036.4 Ų36.40%019%0.188CC..Hα-helixtrans-55.4-46.6173.4-178.861.7000111.4L252 L255 L278 L281 L294 Y295 S300 I301 L302L252-L298 HydrophobicContact CD2-CB 4.25Å; L252-L298 HydrophobicContact CD2-CD1 4.15Å; L255-L298 HydrophobicContact CD2-CD1 3.42Å; L255-L298 VanDerWaalsContact CD2-CD1 3.42Å; L278-L298 HydrophobicContact CD1-CD1 4.33Å; L281-L298 HydrophobicContact CB-CD2 3.94Å; L281-L298 HydrophobicContact CD1-CD1 4.13Å; L281-L298 HydrophobicContact CD1-CD2 4.34Å; L294-L298 WeakPolarHBondContact O-CB 3.3Å; L294-L298 PolarHBondContact O-N 3.31Å; Y295-L298 HydrophobicContact CD1-CD2 3.93Å; Y295-L298 HydrophobicContact CE1-CD2 4.23Å; Y295-L298 PolarHBondContact O-N 3.06Å; L298-S300 VanDerWaalsContact C-N 3.3Å; L298-S300 PolarHBondContact O-N 3.06Å; L298-I301 PolarHBondContact O-N 3.25Å; L298-I301 VanDerWaalsContact O-N 3.11Å; L298-L302 HydrophobicContact CD1-CD1 4.11Å; L298-L302 HydrophobicContact CD1-CG 4.07Å; L298-L302 HydrophobicContact CG-CD1 3.94Å; L298-L302 HydrophobicContact CG-CG 4.31Å; L298-L302 WeakPolarHBondContact O-CG 3.5Å; L298-L302 PolarHBondContact O-N 2.93Å
299I98.1Very high95.4Very high5 Ų536.7 Ų36.73%0.02619%0.19CC..Hα-helixtrans-59.7-41.9176.1-67.1165.2000111.2Y295 N297 I301 Y303 F331 L344 K347 A348 F351Y295-I299 WeakPolarHBondContact O-CG1 3.39Å; Y295-I299 PolarHBondContact O-N 3.34Å; N297-I299 VanDerWaalsContact C-N 3.33Å; N297-I299 PolarHBondContact O-N 3.07Å; I299-I301 VanDerWaalsContact C-N 3.34Å; I299-I301 PolarHBondContact O-N 3.5Å; I299-Y303 WeakPolarHBondContact O-CB 3.24Å; I299-Y303 PolarHBondContact O-N 3.49Å; I299-F331 HydrophobicContact CD1-CE1 4.16Å; I299-F331 HydrophobicContact CD1-CZ 3.95Å; I299-F331 HydrophobicContact CG1-CE1 3.91Å; I299-F331 HydrophobicContact CG1-CZ 3.78Å; I299-L344 HydrophobicContact CD1-CD1 3.56Å; I299-K347 HydrophobicContact CB-CD 4.32Å; I299-K347 HydrophobicContact CB-CG 4.44Å; I299-K347 HydrophobicContact CD1-CB 4.26Å; I299-K347 HydrophobicContact CD1-CD 4.44Å; I299-K347 HydrophobicContact CD1-CG 4.18Å; I299-K347 HydrophobicContact CG2-CD 4.21Å; I299-K347 HydrophobicContact CG2-CG 3.92Å; I299-A348 HydrophobicContact CD1-CB 4.02Å; I299-F351 HydrophobicContact CB-CD1 4.49Å; I299-F351 HydrophobicContact CG1-CD1 4.36Å; I299-F351 HydrophobicContact CG2-CB 3.66Å; I299-F351 HydrophobicContact CG2-CD1 3.74Å; I299-F351 HydrophobicContact CG2-CD2 4.31Å; I299-F351 HydrophobicContact CG2-CE1 4.46Å; I299-F351 HydrophobicContact CG2-CG 3.65Å
300S97.9Very high94.8Very high40 Ų4036.4 Ų36.428%0.2819%0.19SC..Hα-helixtrans-60.6-44.3174.9-68.80000111.6I296 N297 L298 Y303 H304 K347I296-S300 PolarHBondContact O-N 3.01Å; N297-S300 WeakPolarHBondContact O-CA 3.18Å; N297-S300 WeakPolarHBondContact O-CB 3.46Å; N297-S300 PolarHBondContact O-N 2.63Å; L298-S300 VanDerWaalsContact C-N 3.3Å; L298-S300 PolarHBondContact O-N 3.06Å; S300-Y303 PolarHBondContact O-N 3.19Å; S300-H304 PolarHBondContact O-N 2.81Å; S300-H304 PolarHBondContact O-ND1 2.96Å; S300-K347 PolarHBondContact OG-NZ 3.44Å
301I98.1Very high93.7Very high1 Ų133.6 Ų33.61%0.00519%0.19CC..Hα-helixtrans-62.8-51.6-179.5-69.3168.7000109.9F139 L252 L255 Q256 N297 L298 I299 Y303 H304 Q305F139-I301 HydrophobicContact CD2-CD1 3.66Å; F139-I301 HydrophobicContact CD2-CG1 4.17Å; F139-I301 HydrophobicContact CE2-CD1 3.87Å; F139-I301 HydrophobicContact CE2-CG1 4.21Å; F139-I301 HydrophobicContact CG-CD1 4.43Å; L252-I301 HydrophobicContact CB-CD1 3.68Å; L252-I301 HydrophobicContact CD1-CD1 3.99Å; L252-I301 HydrophobicContact CD2-CD1 4.11Å; L252-I301 HydrophobicContact CG-CD1 4.14Å; L255-I301 HydrophobicContact CD2-CG2 4.39Å; Q256-I301 HydrophobicContact CG-CD1 4.24Å; Q256-I301 HydrophobicContact CG-CG1 4.41Å; Q256-I301 HydrophobicContact CG-CG2 3.94Å; N297-I301 WeakPolarHBondContact O-CG1 3.18Å; N297-I301 PolarHBondContact O-N 3.32Å; L298-I301 PolarHBondContact O-N 3.25Å; L298-I301 VanDerWaalsContact O-N 3.11Å; I299-I301 VanDerWaalsContact C-N 3.34Å; I299-I301 PolarHBondContact O-N 3.5Å; I301-Y303 VanDerWaalsContact C-N 3.29Å; I301-Y303 PolarHBondContact O-N 3Å; I301-H304 PolarHBondContact O-N 3.03Å; I301-H304 VanDerWaalsContact O-N 3.1Å; I301-Q305 VanDerWaalsContact CG2-CD 3.43Å; I301-Q305 HydrophobicContact CG2-CG 3.97Å; I301-Q305 WeakPolarHBondContact O-CB 3.49Å; I301-Q305 WeakPolarHBondContact O-CG 3.37Å; I301-Q305 PolarHBondContact O-N 3.48Å
302L97Very high92.5Very high1 Ų137.2 Ų37.21%0.00521%0.211CC..Hα-helixtrans-61.6-37.4-179-66.8176.2000112.3L278 L298 H304 Q305 L306 L328 F351L278-L302 HydrophobicContact CD1-CD1 3.89Å; L278-L302 HydrophobicContact CD1-CD2 3.77Å; L278-L302 HydrophobicContact CD1-CG 4.38Å; L278-L302 HydrophobicContact CD2-CD2 4.04Å; L298-L302 HydrophobicContact CD1-CD1 4.11Å; L298-L302 HydrophobicContact CD1-CG 4.07Å; L298-L302 HydrophobicContact CG-CD1 3.94Å; L298-L302 HydrophobicContact CG-CG 4.31Å; L298-L302 WeakPolarHBondContact O-CG 3.5Å; L298-L302 PolarHBondContact O-N 2.93Å; L302-H304 VanDerWaalsContact C-N 3.31Å; L302-H304 PolarHBondContact O-N 3.42Å; L302-Q305 PolarHBondContact O-N 3.1Å; L302-L306 VanDerWaalsContact O-CB 3.29Å; L302-L306 WeakPolarHBondContact O-CB 3.36Å; L302-L306 VanDerWaalsContact O-CG 3.24Å; L302-L306 WeakPolarHBondContact O-CG 3.22Å; L302-L306 PolarHBondContact O-N 3.21Å; L302-L328 HydrophobicContact CD1-CD2 4.06Å; L302-F351 HydrophobicContact CB-CE1 4Å; L302-F351 HydrophobicContact CB-CZ 3.68Å; L302-F351 HydrophobicContact CD1-CE1 4.34Å
303Y96.6Very high91.4Very high109 Ų10936.8 Ų36.843%0.42721%0.208SC..Hα-helixtrans-56.1-44.6174.3175.2-92000112.4I299 S300 I301 G307 F351 H354I299-Y303 WeakPolarHBondContact O-CB 3.24Å; I299-Y303 PolarHBondContact O-N 3.49Å; S300-Y303 PolarHBondContact O-N 3.19Å; I301-Y303 VanDerWaalsContact C-N 3.29Å; I301-Y303 PolarHBondContact O-N 3Å; Y303-G307 PolarHBondContact O-N 3.07Å; Y303-F351 HydrophobicContact CD2-CD2 4.32Å; Y303-F351 HydrophobicContact CD2-CE2 4.37Å; Y303-H354 AromaticContact CD2-CD2 3.91Å; Y303-H354 AromaticContact CE2-CD2 3.71Å; Y303-H354 AromaticContact CE2-CE1 3.71Å; Y303-H354 AromaticContact CE2-CG 3.99Å; Y303-H354 AromaticContact CE2-ND1 3.99Å; Y303-H354 AromaticContact CE2-NE2 3.54Å
304H96.6Very high90.1Very high68 Ų6834.3 Ų34.332%0.31519%0.191SC..Hα-helixtrans-76.9-43.8179-62.395.2000111.5S135 L136 S300 I301 L302 G307 E308S135-H304 WeakPolarHBondContact CB-CD2 2.91Å; S135-H304 PolarHBondContact OG-CD2 2.64Å; L136-H304 HydrophobicContact CD2-CB 4.38Å; S300-H304 PolarHBondContact O-N 2.81Å; S300-H304 PolarHBondContact O-ND1 2.96Å; I301-H304 PolarHBondContact O-N 3.03Å; I301-H304 VanDerWaalsContact O-N 3.1Å; L302-H304 VanDerWaalsContact C-N 3.31Å; L302-H304 PolarHBondContact O-N 3.42Å; H304-G307 VanDerWaalsContact O-CA 3.25Å; H304-G307 WeakPolarHBondContact O-CA 3.34Å; H304-G307 PolarHBondContact O-N 3.12Å; H304-E308 PolarHBondContact O-N 3.24Å
305Q95.6Very high88.4Confident0 Ų040.3 Ų40.30%023%0.228CC..Hα-helixtrans-60.2-50.7179.8-73.1-175.3-16.600112.6L136 F259 I301 L302 G307 E308 I309L136-Q305 HydrophobicContact CD2-CG 4.13Å; F259-Q305 HydrophobicContact CD1-CB 4.33Å; F259-Q305 HydrophobicContact CD1-CG 3.66Å; F259-Q305 HydrophobicContact CD2-CB 4.03Å; F259-Q305 HydrophobicContact CD2-CG 3.92Å; F259-Q305 HydrophobicContact CE1-CB 3.97Å; F259-Q305 HydrophobicContact CE1-CG 3.72Å; F259-Q305 HydrophobicContact CE2-CB 3.64Å; F259-Q305 HydrophobicContact CE2-CG 3.98Å; F259-Q305 HydrophobicContact CG-CB 4.35Å; F259-Q305 VanDerWaalsContact CG-CD 3.49Å; F259-Q305 HydrophobicContact CG-CG 3.75Å; F259-Q305 HydrophobicContact CZ-CB 3.61Å; F259-Q305 HydrophobicContact CZ-CG 3.88Å; F259-Q305 WeakPolarHBondContact CZ-O 3.39Å; I301-Q305 VanDerWaalsContact CG2-CD 3.43Å; I301-Q305 HydrophobicContact CG2-CG 3.97Å; I301-Q305 WeakPolarHBondContact O-CB 3.49Å; I301-Q305 WeakPolarHBondContact O-CG 3.37Å; I301-Q305 PolarHBondContact O-N 3.48Å; L302-Q305 PolarHBondContact O-N 3.1Å; Q305-G307 PolarHBondContact O-N 3.42Å; Q305-E308 PolarHBondContact O-N 3.13Å; Q305-I309 PolarHBondContact O-N 2.9Å
306L92.4Very high86.3Confident2 Ų246.3 Ų46.31%0.0126%0.26CS..Hα-helixtrans-66.4-19.2174.8-59.6179.2000111.7L302 E308 I309 F314 L324 L328 F351 L355 F359L302-L306 VanDerWaalsContact O-CB 3.29Å; L302-L306 WeakPolarHBondContact O-CB 3.36Å; L302-L306 VanDerWaalsContact O-CG 3.24Å; L302-L306 WeakPolarHBondContact O-CG 3.22Å; L302-L306 PolarHBondContact O-N 3.21Å; L306-E308 PolarHBondContact O-N 3.08Å; L306-I309 HydrophobicContact CD2-CD1 4.14Å; L306-F314 HydrophobicContact CD2-CE1 4.12Å; L306-F314 HydrophobicContact CD2-CZ 3.99Å; L306-L324 HydrophobicContact CD2-CD1 3.88Å; L306-L324 HydrophobicContact CD2-CD2 4.46Å; L306-L328 HydrophobicContact CD1-CD1 4.15Å; L306-F351 HydrophobicContact CD1-CZ 4.02Å; L306-L355 HydrophobicContact CD1-CD1 4.1Å; L306-L355 HydrophobicContact CD1-CD2 3.73Å; L306-F359 HydrophobicContact CB-CE2 4.39Å; L306-F359 HydrophobicContact CB-CZ 4.47Å; L306-F359 WeakPolarHBondContact O-CZ 3.35Å
307G91.6Very high84.1Confident32 Ų3246.9 Ų46.933%0.3326%0.263SS..Hα-helixtrans-59-34.616900000113.7Y303 H304 Q305Y303-G307 PolarHBondContact O-N 3.07Å; H304-G307 VanDerWaalsContact O-CA 3.25Å; H304-G307 WeakPolarHBondContact O-CA 3.34Å; H304-G307 PolarHBondContact O-N 3.12Å; Q305-G307 PolarHBondContact O-N 3.42Å
308E90.8Very high81.5Confident57 Ų5750.3 Ų50.327%0.26629%0.285SS..Hα-helixtrans-98.5-19.2-170-59.1-51158.800114.9K132 L136 L263 H304 Q305 L306 P310K132-E308 WeakPolarHBondContact CD-OE1 3.41Å; K132-E308 WeakPolarHBondContact CE-OE1 3.47Å; K132-E308 WeakPolarHBondContact CE-OE2 3.49Å; K132-E308 WeakPolarHBondContact CG-OE1 3.46Å; K132-E308 VanDerWaalsContact NZ-CD 3.33Å; K132-E308 IonicContact NZ-OE1 3.16Å; K132-E308 IonicContact NZ-OE2 2.93Å; K132-E308 PolarHBondContact NZ-OE2 3.34Å; L136-E308 HydrophobicContact CD1-CG 4.18Å; L136-E308 HydrophobicContact CD2-CG 4.17Å; L263-E308 HydrophobicContact CD2-CB 3.88Å; H304-E308 PolarHBondContact O-N 3.24Å; Q305-E308 PolarHBondContact O-N 3.13Å; L306-E308 PolarHBondContact O-N 3.08Å; E308-P310 WeakPolarHBondContact O-CD 3.36Å
309I85.3Confident79.2Confident7 Ų755.1 Ų55.14%0.03632%0.318CS..SBendtrans-74.8124.9176.1-64.3165.2000108.6F259 W274 Q305 L306 F313 F314F259-I309 HydrophobicContact CE2-CD1 3.88Å; F259-I309 HydrophobicContact CE2-CG1 4.11Å; F259-I309 HydrophobicContact CZ-CD1 4.43Å; F259-I309 HydrophobicContact CZ-CG1 4.21Å; W274-I309 HydrophobicContact CH2-CD1 4.26Å; Q305-I309 PolarHBondContact O-N 2.9Å; L306-I309 HydrophobicContact CD2-CD1 4.14Å; I309-F313 HydrophobicContact CG2-CB 3.64Å; I309-F313 HydrophobicContact CG2-CD1 3.41Å; I309-F313 VanDerWaalsContact CG2-CD1 3.41Å; I309-F313 HydrophobicContact CG2-CE1 4.33Å; I309-F313 HydrophobicContact CG2-CG 3.75Å; I309-F314 HydrophobicContact CB-CE1 4.1Å; I309-F314 HydrophobicContact CB-CE2 3.97Å; I309-F314 HydrophobicContact CB-CZ 3.47Å; I309-F314 VanDerWaalsContact CB-CZ 3.47Å; I309-F314 HydrophobicContact CD1-CE1 3.97Å; I309-F314 HydrophobicContact CD1-CZ 3.95Å; I309-F314 HydrophobicContact CG1-CZ 4.33Å; I309-F314 HydrophobicContact CG2-CD1 4.21Å; I309-F314 HydrophobicContact CG2-CD2 4.28Å; I309-F314 HydrophobicContact CG2-CE1 3.61Å; I309-F314 HydrophobicContact CG2-CE2 3.69Å; I309-F314 HydrophobicContact CG2-CZ 3.34Å
310P79.4Confident76.9Confident69 Ų6963.9 Ų63.945%0.44836%0.359SS..  trans-56.2144.6174.1-26.436.9000112.3E308 D312 F313E308-P310 WeakPolarHBondContact O-CD 3.36Å; P310-D312 VanDerWaalsContact C-N 3.26Å; P310-D312 WeakPolarHBondContact CB-OD1 3.1Å; P310-D312 PolarHBondContact O-N 3.04Å; P310-F313 HydrophobicContact CB-CB 4.46Å; P310-F313 VanDerWaalsContact O-CB 3.27Å; P310-F313 WeakPolarHBondContact O-CB 3.45Å; P310-F313 PolarHBondContact O-N 3.24Å; P310-F313 VanDerWaalsContact O-N 3.08Å
311A72.8Confident74.9Confident66 Ų6668.7 Ų68.755%0.54538%0.382SS..THydrogen-bonded Turntrans-64.8-32.5-174.400000113F313 F314A311-F313 VanDerWaalsContact C-N 3.35Å; A311-F314 PolarHBondContact O-N 2.97Å
312D70Confident73.8Confident111 Ų11170 Ų7059%0.59439%0.389SS*.THydrogen-bonded Turntrans-65.7-33.2173.553.9-34.6000112.5P310 F314 V315 D316P310-D312 VanDerWaalsContact C-N 3.26Å; P310-D312 WeakPolarHBondContact CB-OD1 3.1Å; P310-D312 PolarHBondContact O-N 3.04Å; D312-F314 PolarHBondContact O-N 3.26Å; D312-V315 WeakPolarHBondContact O-CA 3.38Å; D312-V315 WeakPolarHBondContact O-CB 3.28Å; D312-V315 PolarHBondContact O-N 3.06Å; D312-D316 WeakPolarHBondContact O-CB 3.38Å; D312-D316 PolarHBondContact O-N 2.98Å
313F72Confident73.1Confident67 Ų6771.3 Ų71.329%0.29440%0.395SS..THydrogen-bonded Turntrans-56.7-36173.8-174.6-89.6000111.7F262 F271 I309 P310 A311 V315 D316 I317F262-F313 HydrophobicContact CE2-CE2 4.27Å; F262-F313 AromaticContact CE2-CZ 3.87Å; F262-F313 HydrophobicContact CE2-CZ 3.87Å; F262-F313 AromaticContact CZ-CE1 3.91Å; F262-F313 HydrophobicContact CZ-CE1 3.91Å; F262-F313 HydrophobicContact CZ-CE2 4.04Å; F262-F313 AromaticContact CZ-CZ 3.45Å; F262-F313 HydrophobicContact CZ-CZ 3.45Å; F262-F313 VanDerWaalsContact CZ-CZ 3.45Å; F271-F313 HydrophobicContact CE2-CE1 4.13Å; F271-F313 HydrophobicContact CE2-CZ 4.13Å; F271-F313 HydrophobicContact CZ-CE1 4.34Å; F271-F313 HydrophobicContact CZ-CZ 4.25Å; I309-F313 HydrophobicContact CG2-CB 3.64Å; I309-F313 HydrophobicContact CG2-CD1 3.41Å; I309-F313 VanDerWaalsContact CG2-CD1 3.41Å; I309-F313 HydrophobicContact CG2-CE1 4.33Å; I309-F313 HydrophobicContact CG2-CG 3.75Å; P310-F313 HydrophobicContact CB-CB 4.46Å; P310-F313 VanDerWaalsContact O-CB 3.27Å; P310-F313 WeakPolarHBondContact O-CB 3.45Å; P310-F313 PolarHBondContact O-N 3.24Å; P310-F313 VanDerWaalsContact O-N 3.08Å; A311-F313 VanDerWaalsContact C-N 3.35Å; F313-V315 VanDerWaalsContact C-N 3.32Å; F313-V315 PolarHBondContact O-N 3.4Å; F313-D316 PolarHBondContact O-N 3.44Å; F313-I317 HydrophobicContact CD1-CD1 4.46Å; F313-I317 HydrophobicContact CD1-CG1 4.31Å; F313-I317 HydrophobicContact CE1-CD1 4.31Å; F313-I317 HydrophobicContact CE1-CG1 4.24Å; F313-I317 WeakPolarHBondContact O-CG1 3.37Å; F313-I317 PolarHBondContact O-N 3.26Å
314F67.8Low72.7Confident14 Ų1466.2 Ų66.26%0.06138%0.375CS..THydrogen-bonded Turntrans-73.8-21.7177.3-58.2-62.4000114.2L306 I309 A311 D312 I317 L324 F359 W361L306-F314 HydrophobicContact CD2-CE1 4.12Å; L306-F314 HydrophobicContact CD2-CZ 3.99Å; I309-F314 HydrophobicContact CB-CE1 4.1Å; I309-F314 HydrophobicContact CB-CE2 3.97Å; I309-F314 HydrophobicContact CB-CZ 3.47Å; I309-F314 VanDerWaalsContact CB-CZ 3.47Å; I309-F314 HydrophobicContact CD1-CE1 3.97Å; I309-F314 HydrophobicContact CD1-CZ 3.95Å; I309-F314 HydrophobicContact CG1-CZ 4.33Å; I309-F314 HydrophobicContact CG2-CD1 4.21Å; I309-F314 HydrophobicContact CG2-CD2 4.28Å; I309-F314 HydrophobicContact CG2-CE1 3.61Å; I309-F314 HydrophobicContact CG2-CE2 3.69Å; I309-F314 HydrophobicContact CG2-CZ 3.34Å; A311-F314 PolarHBondContact O-N 2.97Å; D312-F314 PolarHBondContact O-N 3.26Å; F314-I317 HydrophobicContact CD1-CD1 4.34Å; F314-L324 HydrophobicContact CD1-CD1 3.8Å; F314-L324 HydrophobicContact CE1-CD1 3.37Å; F314-L324 HydrophobicContact CZ-CD1 4.48Å; F314-F359 HydrophobicContact CD2-CD1 4.14Å; F314-F359 HydrophobicContact CD2-CE1 4.02Å; F314-F359 HydrophobicContact CE2-CD1 4.07Å; F314-F359 AromaticContact CE2-CE1 3.52Å; F314-F359 HydrophobicContact CE2-CE1 3.52Å; F314-F359 AromaticContact CE2-CZ 3.95Å; F314-F359 HydrophobicContact CE2-CZ 3.95Å; F314-F359 HydrophobicContact CZ-CE1 4.48Å; F314-W361 HydrophobicContact CB-CZ2 4.06Å; F314-W361 HydrophobicContact CD1-CH2 4.05Å; F314-W361 AromaticContact CD1-CZ2 3.85Å; F314-W361 HydrophobicContact CD1-CZ2 3.85Å; F314-W361 HydrophobicContact CD2-CZ2 4.08Å; F314-W361 HydrophobicContact CE1-CH2 4.05Å; F314-W361 HydrophobicContact CE1-CZ2 4.28Å; F314-W361 HydrophobicContact CE2-CZ2 4.48Å; F314-W361 HydrophobicContact CG-CH2 4.32Å; F314-W361 AromaticContact CG-CZ2 3.73Å; F314-W361 HydrophobicContact CG-CZ2 3.73Å; F314-W361 HydrophobicContact CZ-CH2 4.29Å
315V62.1Low72.2Confident126 Ų12664.5 Ų64.576%0.76437%0.369SS*.THydrogen-bonded Turntrans-81.3-34174-177.20000109.9D312 F313D312-V315 WeakPolarHBondContact O-CA 3.38Å; D312-V315 WeakPolarHBondContact O-CB 3.28Å; D312-V315 PolarHBondContact O-N 3.06Å; F313-V315 VanDerWaalsContact C-N 3.32Å; F313-V315 PolarHBondContact O-N 3.4Å
316D53.9Low71.7Confident125 Ų12567.1 Ų67.167%0.66839%0.387SS*.  trans-104.117.4-169.4-133.31.8000114.2D312 F313 V318D312-D316 WeakPolarHBondContact O-CB 3.38Å; D312-D316 PolarHBondContact O-N 2.98Å; F313-D316 PolarHBondContact O-N 3.44Å; D316-V318 WeakPolarHBondContact O-CG2 3.46Å; D316-V318 PolarHBondContact O-N 3.49Å
317I51.7Low71.6Confident45 Ų4567.3 Ų67.323%0.23139%0.389CS..SBendtrans-65.412.4167.8-38.1-178.9000111.7F271 F313 F314 F323F271-I317 HydrophobicContact CZ-CG2 4.18Å; F313-I317 HydrophobicContact CD1-CD1 4.46Å; F313-I317 HydrophobicContact CD1-CG1 4.31Å; F313-I317 HydrophobicContact CE1-CD1 4.31Å; F313-I317 HydrophobicContact CE1-CG1 4.24Å; F313-I317 WeakPolarHBondContact O-CG1 3.37Å; F313-I317 PolarHBondContact O-N 3.26Å; F314-I317 HydrophobicContact CD1-CD1 4.34Å; I317-F323 HydrophobicContact CD1-CE1 4.48Å
318V43.7Very low71.6Confident111 Ų11165.9 Ų65.967%0.67337%0.373SS*.SBendtrans65.875.6168.7-148.30000113.7D316D316-V318 WeakPolarHBondContact O-CG2 3.46Å; D316-V318 PolarHBondContact O-N 3.49Å
319S50.1Low71.6Confident101 Ų10165.1 Ų65.171%0.70637%0.37SS*.SBendtrans98.616.1130.2-48.90000122.4
320Q48.7Very low71.9Confident190 Ų19067.4 Ų67.489%0.88838%0.384SS*.SBendtrans179.8-3.9140.9-103.5171.44.600118.7
321D57.6Low72.6Confident140 Ų14064.1 Ų64.175%0.74936%0.362SS*.  trans-135.9103177.9-82.8-51.1000111.8F323D321-F323 VanDerWaalsContact C-N 3.3Å; D321-F323 PolarHBondContact O-N 3.41Å
322N74.4Confident73.7Confident30 Ų3061.1 Ų61.116%0.1634%0.337CS..  trans-68.993.2168.8-179.1-4.9000108.4L324 T325 S326 W361N322-L324 PolarHBondContact O-N 2.88Å; N322-L324 WeakPolarHBondContact OD1-CB 3.33Å; N322-L324 PolarHBondContact OD1-N 2.89Å; N322-L324 VanDerWaalsContact OD1-N 3.12Å; N322-T325 HydrophobicContact CB-CG2 4.3Å; N322-T325 WeakPolarHBondContact CB-OG1 3.31Å; N322-T325 WeakPolarHBondContact ND2-CG2 3.47Å; N322-T325 PolarHBondContact O-N 2.97Å; N322-T325 PolarHBondContact O-OG1 3.26Å; N322-S326 PolarHBondContact O-N 3.35Å; N322-W361 WeakPolarHBondContact ND2-CZ2 3.35Å
323F82.7Confident74.7Confident28 Ų2859.8 Ų59.812%0.12334%0.336CS..Hα-helixtrans-54.6-27.6-177.287.6-84.8000112.4F271 W274 K275 L278 I317 D321 S326 T327F271-F323 HydrophobicContact CE2-CE1 4.35Å; F271-F323 HydrophobicContact CZ-CE1 4.2Å; W274-F323 HydrophobicContact CE3-CZ 4.21Å; W274-F323 HydrophobicContact CH2-CZ 4.16Å; W274-F323 HydrophobicContact CZ3-CE1 4.32Å; W274-F323 AromaticContact CZ3-CZ 3.56Å; W274-F323 HydrophobicContact CZ3-CZ 3.56Å; K275-F323 HydrophobicContact CB-CD2 4.46Å; K275-F323 HydrophobicContact CB-CE2 4.09Å; K275-F323 HydrophobicContact CB-CZ 4.31Å; K275-F323 HydrophobicContact CD-CD1 4.11Å; K275-F323 HydrophobicContact CD-CE1 3.84Å; K275-F323 HydrophobicContact CD-CZ 4.1Å; K275-F323 HydrophobicContact CG-CD1 4.25Å; K275-F323 HydrophobicContact CG-CD2 4.2Å; K275-F323 HydrophobicContact CG-CE1 3.69Å; K275-F323 HydrophobicContact CG-CE2 3.67Å; K275-F323 HydrophobicContact CG-CG 4.48Å; K275-F323 HydrophobicContact CG-CZ 3.4Å; K275-F323 VanDerWaalsContact CG-CZ 3.4Å; L278-F323 HydrophobicContact CD2-CE2 4.43Å; I317-F323 HydrophobicContact CD1-CE1 4.48Å; D321-F323 VanDerWaalsContact C-N 3.3Å; D321-F323 PolarHBondContact O-N 3.41Å; F323-S326 PolarHBondContact O-OG 3.07Å; F323-S326 VanDerWaalsContact O-OG 3.14Å; F323-T327 WeakPolarHBondContact O-CB 3.42Å; F323-T327 PolarHBondContact O-N 3.3Å; F323-T327 PolarHBondContact O-OG1 2.9Å
324L87Confident75.6Confident2 Ų257 Ų571%0.0133%0.325CS..Hα-helixtrans-68.6-40.6177.8-71.5166.7000111.6W274 L278 L306 F314 N322 L328 W361W274-L324 HydrophobicContact CH2-CD1 4.19Å; W274-L324 HydrophobicContact CH2-CD2 3.73Å; W274-L324 HydrophobicContact CH2-CG 4.47Å; W274-L324 HydrophobicContact CZ2-CD2 4.44Å; W274-L324 HydrophobicContact CZ3-CD2 4.32Å; L278-L324 HydrophobicContact CD2-CD2 3.61Å; L306-L324 HydrophobicContact CD2-CD1 3.88Å; L306-L324 HydrophobicContact CD2-CD2 4.46Å; F314-L324 HydrophobicContact CD1-CD1 3.8Å; F314-L324 HydrophobicContact CE1-CD1 3.37Å; F314-L324 HydrophobicContact CZ-CD1 4.48Å; N322-L324 PolarHBondContact O-N 2.88Å; N322-L324 WeakPolarHBondContact OD1-CB 3.33Å; N322-L324 PolarHBondContact OD1-N 2.89Å; N322-L324 VanDerWaalsContact OD1-N 3.12Å; L324-L328 HydrophobicContact CB-CD1 4.49Å; L324-L328 WeakPolarHBondContact O-CB 3.45Å; L324-L328 WeakPolarHBondContact O-CG 3.4Å; L324-L328 PolarHBondContact O-N 3.39Å; L324-W361 HydrophobicContact CB-CH2 4.2Å; L324-W361 HydrophobicContact CB-CZ3 4.49Å; L324-W361 HydrophobicContact CD1-CH2 4.34Å
325T86Confident76.7Confident32 Ų3256.3 Ų56.320%0.19632%0.322CS..Hα-helixtrans-65.6-46.3-179.749.10000110.4N322 L328 Q329 W361N322-T325 HydrophobicContact CB-CG2 4.3Å; N322-T325 WeakPolarHBondContact CB-OG1 3.31Å; N322-T325 WeakPolarHBondContact ND2-CG2 3.47Å; N322-T325 PolarHBondContact O-N 2.97Å; N322-T325 PolarHBondContact O-OG1 3.26Å; T325-L328 PolarHBondContact O-N 3.42Å; T325-Q329 WeakPolarHBondContact O-CB 3.14Å; T325-Q329 PolarHBondContact O-N 2.94Å; T325-W361 HydrophobicContact CG2-CB 4.08Å; T325-W361 HydrophobicContact CG2-CD2 3.47Å; T325-W361 VanDerWaalsContact CG2-CD2 3.47Å; T325-W361 HydrophobicContact CG2-CE3 3.9Å; T325-W361 HydrophobicContact CG2-CG 3.57Å; T325-W361 HydrophobicContact CG2-CZ2 4.38Å; T325-W361 HydrophobicContact CG2-CZ3 4.49Å
326S85.9Confident78Confident54 Ų5452.1 Ų52.138%0.37830%0.298SS..Hα-helixtrans-66.8-43.1177.757.50000112.4N322 F323 L328 Q329 V330N322-S326 PolarHBondContact O-N 3.35Å; F323-S326 PolarHBondContact O-OG 3.07Å; F323-S326 VanDerWaalsContact O-OG 3.14Å; S326-L328 PolarHBondContact O-N 3.39Å; S326-Q329 PolarHBondContact O-N 3.17Å; S326-V330 WeakPolarHBondContact O-CG2 3.43Å; S326-V330 PolarHBondContact O-N 3.25Å
327T90.4Very high79.6Confident7 Ų748 Ų484%0.04328%0.279CS..Hα-helixtrans-62.9-44177.4-60.50000111.7L278 N279 C282 F323 F331L278-T327 HydrophobicContact CG-CG2 4.34Å; N279-T327 HydrophobicContact CB-CG2 4.42Å; C282-T327 HydrophobicContact CB-CG2 3.4Å; C282-T327 VanDerWaalsContact CB-CG2 3.4Å; F323-T327 WeakPolarHBondContact O-CB 3.42Å; F323-T327 PolarHBondContact O-N 3.3Å; F323-T327 PolarHBondContact O-OG1 2.9Å; T327-F331 PolarHBondContact O-N 3.01Å
328L92.4Very high81.2Confident1 Ų153.4 Ų53.41%0.00531%0.307CS..Hα-helixtrans-75.5-29.4-179.7-68.6172.6000112.4L302 L306 L324 T325 S326 F331 F332 L355 W361 F363L302-L328 HydrophobicContact CD1-CD2 4.06Å; L306-L328 HydrophobicContact CD1-CD1 4.15Å; L324-L328 HydrophobicContact CB-CD1 4.49Å; L324-L328 WeakPolarHBondContact O-CB 3.45Å; L324-L328 WeakPolarHBondContact O-CG 3.4Å; L324-L328 PolarHBondContact O-N 3.39Å; T325-L328 PolarHBondContact O-N 3.42Å; S326-L328 PolarHBondContact O-N 3.39Å; L328-F331 WeakPolarHBondContact O-CB 3.12Å; L328-F331 PolarHBondContact O-N 3.2Å; L328-F332 HydrophobicContact CB-CD2 4.34Å; L328-F332 HydrophobicContact CB-CE2 3.92Å; L328-F332 WeakPolarHBondContact O-CD2 3.19Å; L328-F332 VanDerWaalsContact O-CG 3.31Å; L328-F332 WeakPolarHBondContact O-CG 3.38Å; L328-F332 PolarHBondContact O-N 2.56Å; L328-L355 HydrophobicContact CD1-CD1 3.73Å; L328-W361 HydrophobicContact CD1-CZ3 4.15Å; L328-F363 HydrophobicContact CB-CE1 3.73Å; L328-F363 HydrophobicContact CB-CZ 4.27Å
329Q90.6Very high83.2Confident42 Ų4251.3 Ų51.320%0.19630%0.302CS..Hα-helixtrans-59.1-50.4171.7-179.2172.67.900110.7T325 S326 F331 F332 S333 F363 A365T325-Q329 WeakPolarHBondContact O-CB 3.14Å; T325-Q329 PolarHBondContact O-N 2.94Å; S326-Q329 PolarHBondContact O-N 3.17Å; Q329-F331 VanDerWaalsContact C-N 3.29Å; Q329-F331 PolarHBondContact O-N 3.12Å; Q329-F332 PolarHBondContact O-N 3.3Å; Q329-S333 PolarHBondContact O-N 3.15Å; Q329-S333 PolarHBondContact O-OG 3.06Å; Q329-F363 HydrophobicContact CB-CD1 4.11Å; Q329-A365 PolarHBondContact NE2-O 2.99Å
330V90.8Very high85.1Confident54 Ų5446.8 Ų46.833%0.32727%0.269SS..Hα-helixtrans-61.7-40175.2179.70000111.1R283 S326 F332 S333 S334R283-V330 HydrophobicContact CG-CB 4.46Å; R283-V330 HydrophobicContact CG-CG1 3.98Å; S326-V330 WeakPolarHBondContact O-CG2 3.43Å; S326-V330 PolarHBondContact O-N 3.25Å; V330-F332 PolarHBondContact O-N 2.84Å; V330-S333 WeakPolarHBondContact CA-OG 3.42Å; V330-S333 PolarHBondContact O-N 3.48Å; V330-S333 PolarHBondContact O-OG 2.71Å; V330-S334 PolarHBondContact O-N 3.28Å; V330-S334 PolarHBondContact O-OG 3.33Å
331F94.6Very high87.3Confident0 Ų040.6 Ų40.60%024%0.243CC..Hα-helixtrans-58-48174.9175.7-104.2000112C282 M288 Y295 I299 T327 L328 Q329 S334 A335 A348C282-F331 HydrophobicContact CB-CB 3.87Å; C282-F331 HydrophobicContact CB-CD2 4.33Å; C282-F331 HydrophobicContact CB-CG 4.47Å; M288-F331 HydrophobicContact CE-CD2 3.41Å; M288-F331 VanDerWaalsContact CE-CD2 3.41Å; M288-F331 HydrophobicContact CE-CE2 3.74Å; M288-F331 HydrophobicContact CE-CG 4.45Å; M288-F331 HydrophobicContact SD-CD2 4.34Å; M288-F331 HydrophobicContact SD-CE2 4.16Å; Y295-F331 AromaticContact CD1-CE2 3.73Å; Y295-F331 HydrophobicContact CD1-CE2 3.73Å; Y295-F331 HydrophobicContact CE1-CE2 4.3Å; I299-F331 HydrophobicContact CD1-CE1 4.16Å; I299-F331 HydrophobicContact CD1-CZ 3.95Å; I299-F331 HydrophobicContact CG1-CE1 3.91Å; I299-F331 HydrophobicContact CG1-CZ 3.78Å; T327-F331 PolarHBondContact O-N 3.01Å; L328-F331 WeakPolarHBondContact O-CB 3.12Å; L328-F331 PolarHBondContact O-N 3.2Å; Q329-F331 VanDerWaalsContact C-N 3.29Å; Q329-F331 PolarHBondContact O-N 3.12Å; F331-S334 PolarHBondContact O-N 2.94Å; F331-A335 HydrophobicContact CD1-CB 4.5Å; F331-A335 HydrophobicContact CE1-CB 4.12Å; F331-A335 HydrophobicContact CE2-CB 4.12Å; F331-A335 HydrophobicContact CZ-CB 3.91Å; F331-A335 WeakPolarHBondContact O-CB 3.32Å; F331-A335 PolarHBondContact O-N 2.94Å; F331-A348 HydrophobicContact CE1-CB 4.47Å
332F94.5Very high89Confident4 Ų436.7 Ų36.72%0.01823%0.229CC..Hα-helixtrans-69.8-36.9-178.4-65.9-50.3000112.3L328 Q329 V330 S334 C336 A348 F351 Q352 L355 F363L328-F332 HydrophobicContact CB-CD2 4.34Å; L328-F332 HydrophobicContact CB-CE2 3.92Å; L328-F332 WeakPolarHBondContact O-CD2 3.19Å; L328-F332 VanDerWaalsContact O-CG 3.31Å; L328-F332 WeakPolarHBondContact O-CG 3.38Å; L328-F332 PolarHBondContact O-N 2.56Å; Q329-F332 PolarHBondContact O-N 3.3Å; V330-F332 PolarHBondContact O-N 2.84Å; F332-S334 VanDerWaalsContact C-N 3.28Å; F332-S334 PolarHBondContact O-N 3.09Å; F332-C336 WeakPolarHBondContact O-CB 3.5Å; F332-C336 PolarHBondContact O-N 3.38Å; F332-C336 PolarHBondContact O-SG 3.1Å; F332-C336 VanDerWaalsContact O-SG 3.36Å; F332-A348 HydrophobicContact CD1-CB 4.36Å; F332-F351 HydrophobicContact CE1-CB 4.41Å; F332-F351 AromaticContact CE1-CD1 3.75Å; F332-F351 HydrophobicContact CE1-CD1 3.75Å; F332-F351 HydrophobicContact CE1-CG 4.44Å; F332-F351 AromaticContact CZ-CD1 3.65Å; F332-F351 HydrophobicContact CZ-CD1 3.65Å; F332-F351 HydrophobicContact CZ-CE1 4.11Å; F332-F351 HydrophobicContact CZ-CG 4.35Å; F332-Q352 HydrophobicContact CD1-CB 3.83Å; F332-Q352 HydrophobicContact CD1-CG 4.31Å; F332-Q352 HydrophobicContact CD2-CB 4.01Å; F332-Q352 HydrophobicContact CD2-CG 3.71Å; F332-Q352 HydrophobicContact CE1-CB 3.73Å; F332-Q352 HydrophobicContact CE1-CG 4.5Å; F332-Q352 HydrophobicContact CE2-CB 3.92Å; F332-Q352 HydrophobicContact CE2-CG 3.93Å; F332-Q352 HydrophobicContact CG-CB 3.98Å; F332-Q352 HydrophobicContact CG-CG 3.94Å; F332-Q352 HydrophobicContact CZ-CB 3.79Å; F332-Q352 HydrophobicContact CZ-CG 4.33Å; F332-L355 HydrophobicContact CE2-CD1 4.24Å; F332-L355 HydrophobicContact CZ-CD1 4.04Å; F332-F363 HydrophobicContact CD2-CB 4.37Å; F332-F363 AromaticContact CD2-CD1 3.99Å; F332-F363 HydrophobicContact CD2-CD1 3.99Å; F332-F363 HydrophobicContact CD2-CD2 4.17Å; F332-F363 HydrophobicContact CD2-CE1 4.21Å; F332-F363 HydrophobicContact CD2-CE2 4.38Å; F332-F363 AromaticContact CD2-CG 3.94Å; F332-F363 HydrophobicContact CD2-CG 3.94Å; F332-F363 HydrophobicContact CD2-CZ 4.35Å; F332-F363 HydrophobicContact CE2-CD1 4.16Å; F332-F363 HydrophobicContact CE2-CD2 4.06Å; F332-F363 AromaticContact CE2-CE1 3.93Å; F332-F363 HydrophobicContact CE2-CE1 3.93Å; F332-F363 AromaticContact CE2-CE2 3.82Å; F332-F363 HydrophobicContact CE2-CE2 3.82Å; F332-F363 HydrophobicContact CE2-CG 4.19Å; F332-F363 AromaticContact CE2-CZ 3.7Å; F332-F363 HydrophobicContact CE2-CZ 3.7Å
333S91.3Very high90Very high82 Ų8239.6 Ų39.657%0.57325%0.248SC*.Hα-helixtrans-60.1-40.1175.558.40000111.9Q329 V330Q329-S333 PolarHBondContact O-N 3.15Å; Q329-S333 PolarHBondContact O-OG 3.06Å; V330-S333 WeakPolarHBondContact CA-OG 3.42Å; V330-S333 PolarHBondContact O-N 3.48Å; V330-S333 PolarHBondContact O-OG 2.71Å
334S91.3Very high90.6Very high8 Ų838.2 Ų38.26%0.05624%0.243CC..Hα-helixtrans-80.1-45.2177.8-62.90000112.4E285 V330 F331 F332 C336 S337 V340E285-S334 PolarHBondContact OE2-OG 2.93Å; V330-S334 PolarHBondContact O-N 3.28Å; V330-S334 PolarHBondContact O-OG 3.33Å; F331-S334 PolarHBondContact O-N 2.94Å; F332-S334 VanDerWaalsContact C-N 3.28Å; F332-S334 PolarHBondContact O-N 3.09Å; S334-C336 VanDerWaalsContact C-N 3.3Å; S334-C336 PolarHBondContact O-N 3.41Å; S334-S337 WeakPolarHBondContact O-CB 3.39Å; S334-S337 PolarHBondContact O-N 3.25Å; S334-S337 VanDerWaalsContact O-N 3.13Å; S334-V340 WeakPolarHBondContact O-CG2 3.45Å
335A91.6Very high91Very high0 Ų041 Ų410%025%0.253CS..Hα-helixtrans-69.1-25.7-17600000113.7M288 F331 S337 A348M288-A335 HydrophobicContact SD-CB 3.88Å; F331-A335 HydrophobicContact CD1-CB 4.5Å; F331-A335 HydrophobicContact CE1-CB 4.12Å; F331-A335 HydrophobicContact CE2-CB 4.12Å; F331-A335 HydrophobicContact CZ-CB 3.91Å; F331-A335 WeakPolarHBondContact O-CB 3.32Å; F331-A335 PolarHBondContact O-N 2.94Å; A335-S337 VanDerWaalsContact C-N 3.3Å; A335-A348 HydrophobicContact CB-CB 3.83Å
336C89.2Confident91.5Very high38 Ų3845.5 Ų45.526%0.25727%0.27SS..THydrogen-bonded Turntrans-86.40.5176-64.90000113.4F332 S334 R345F332-C336 WeakPolarHBondContact O-CB 3.5Å; F332-C336 PolarHBondContact O-N 3.38Å; F332-C336 PolarHBondContact O-SG 3.1Å; F332-C336 VanDerWaalsContact O-SG 3.36Å; S334-C336 VanDerWaalsContact C-N 3.3Å; S334-C336 PolarHBondContact O-N 3.41Å; C336-R345 WeakPolarHBondContact O-CD 3.27Å
337S88.1Confident92Very high40 Ų4045.7 Ų45.728%0.2826%0.264SS..SBendtrans-62.7152175.4179.60000112.6S334 A335 A339 V340 R345S334-S337 WeakPolarHBondContact O-CB 3.39Å; S334-S337 PolarHBondContact O-N 3.25Å; S334-S337 VanDerWaalsContact O-N 3.13Å; A335-S337 VanDerWaalsContact C-N 3.3Å; S337-A339 PolarHBondContact O-N 3.09Å; S337-A339 PolarHBondContact OG-N 2.86Å; S337-V340 PolarHBondContact O-N 3.41Å; S337-R345 PolarHBondContact O-NH1 3.08Å; S337-R345 VanDerWaalsContact O-NH1 3.17Å
338I84.6Confident92.3Very high157 Ų15745.4 Ų45.481%0.80526%0.262SS*.THydrogen-bonded Turntrans-64.6-29.4177.5-62.3170.3000111.1V340 R345I338-V340 PolarHBondContact O-N 3.05Å; I338-R345 PolarHBondContact O-NH1 3.49Å
339A85.9Confident92.4Very high68 Ų6849.7 Ų49.756%0.56228%0.282SS*.THydrogen-bonded Turntrans-67.5-19179.800000113.5S337S337-A339 PolarHBondContact O-N 3.09Å; S337-A339 PolarHBondContact OG-N 2.86Å
340V89.7Confident92.7Very high5 Ų554.3 Ų54.33%0.0330%0.301CS..SBendtrans-84.3149.1-178.2179.80000110.9M288 V289 S334 S337 I338 A342 L344 R345M288-V340 HydrophobicContact CB-CG2 4.45Å; V289-V340 HydrophobicContact CG2-CG2 4.48Å; S334-V340 WeakPolarHBondContact O-CG2 3.45Å; S337-V340 PolarHBondContact O-N 3.41Å; I338-V340 PolarHBondContact O-N 3.05Å; V340-A342 PolarHBondContact O-N 3.49Å; V340-L344 HydrophobicContact CG1-CB 3.96Å; V340-L344 HydrophobicContact CG1-CD2 3.49Å; V340-L344 VanDerWaalsContact CG1-CD2 3.49Å; V340-L344 HydrophobicContact CG1-CG 3.67Å; V340-R345 PolarHBondContact O-NH1 2.8Å
341D94.1Very high93Very high61 Ų6152 Ų5233%0.32629%0.287SS..  trans-48.8137.9174.6172-100.2000112.2H292 T343 L344 R345H292-D341 HydrophobicContact CB-CB 3.95Å; D341-T343 VanDerWaalsContact C-N 3.27Å; D341-T343 PolarHBondContact O-N 3.29Å; D341-T343 VanDerWaalsContact OD1-CA 3.32Å; D341-T343 WeakPolarHBondContact OD1-CA 3.29Å; D341-T343 WeakPolarHBondContact OD1-CB 3.3Å; D341-T343 PolarHBondContact OD1-N 2.92Å; D341-T343 PolarHBondContact OD1-OG1 3.44Å; D341-L344 HydrophobicContact CB-CB 4.25Å; D341-L344 PolarHBondContact O-N 3.32Å; D341-L344 PolarHBondContact OD1-N 2.84Å; D341-R345 WeakPolarHBondContact O-CB 3.42Å; D341-R345 PolarHBondContact O-N 3.06Å
342A93.7Very high93Very high57 Ų5754.5 Ų54.547%0.47130%0.299SS..Hα-helixtrans-64.3-30.9-174.400000113.2V340 K346V340-A342 PolarHBondContact O-N 3.49Å; A342-K346 WeakPolarHBondContact O-CB 3.33Å; A342-K346 PolarHBondContact O-N 3.17Å; A342-K346 VanDerWaalsContact O-N 3.12Å
343T95.4Very high93Very high91 Ų9157.2 Ų57.256%0.55832%0.322SS*.Hα-helixtrans-72.1-45.3177.6-50.60000110.4I296 D341 K347I296-T343 HydrophobicContact CD1-CG2 4.21Å; D341-T343 VanDerWaalsContact C-N 3.27Å; D341-T343 PolarHBondContact O-N 3.29Å; D341-T343 VanDerWaalsContact OD1-CA 3.32Å; D341-T343 WeakPolarHBondContact OD1-CA 3.29Å; D341-T343 WeakPolarHBondContact OD1-CB 3.3Å; D341-T343 PolarHBondContact OD1-N 2.92Å; D341-T343 PolarHBondContact OD1-OG1 3.44Å; T343-K347 WeakPolarHBondContact O-CB 3.47Å; T343-K347 PolarHBondContact O-N 3.28Å; T343-K347 VanDerWaalsContact O-N 3.08Å
344L95.3Very high93.2Very high0 Ų056.2 Ų56.20%031%0.308CS..Hα-helixtrans-60.4-50.5175174.952.5000111.2H292 Y295 I296 I299 V340 D341 K346 K347 A348H292-L344 HydrophobicContact CB-CD2 4.33Å; Y295-L344 HydrophobicContact CG-CD2 4.44Å; I296-L344 HydrophobicContact CD1-CB 4.35Å; I296-L344 HydrophobicContact CG1-CB 3.95Å; I296-L344 HydrophobicContact CG1-CD1 4.01Å; I299-L344 HydrophobicContact CD1-CD1 3.56Å; V340-L344 HydrophobicContact CG1-CB 3.96Å; V340-L344 HydrophobicContact CG1-CD2 3.49Å; V340-L344 VanDerWaalsContact CG1-CD2 3.49Å; V340-L344 HydrophobicContact CG1-CG 3.67Å; D341-L344 HydrophobicContact CB-CB 4.25Å; D341-L344 PolarHBondContact O-N 3.32Å; D341-L344 PolarHBondContact OD1-N 2.84Å; L344-K346 PolarHBondContact O-N 2.86Å; L344-K347 WeakPolarHBondContact O-CB 3.29Å; L344-K347 PolarHBondContact O-N 3.48Å; L344-A348 PolarHBondContact O-N 3.34Å
345R95.7Very high93.2Very high59 Ų5955.9 Ų55.922%0.22331%0.305CS..Hα-helixtrans-54.5-52.3178174167.564.6-104-5.8112.1C336 S337 I338 V340 D341 K347 A348 E349C336-R345 WeakPolarHBondContact O-CD 3.27Å; S337-R345 PolarHBondContact O-NH1 3.08Å; S337-R345 VanDerWaalsContact O-NH1 3.17Å; I338-R345 PolarHBondContact O-NH1 3.49Å; V340-R345 PolarHBondContact O-NH1 2.8Å; D341-R345 WeakPolarHBondContact O-CB 3.42Å; D341-R345 PolarHBondContact O-N 3.06Å; R345-K347 PolarHBondContact O-N 2.82Å; R345-A348 WeakPolarHBondContact O-CB 3.46Å; R345-A348 PolarHBondContact O-N 3.49Å; R345-A348 VanDerWaalsContact O-N 3.1Å; R345-E349 HydrophobicContact CG-CG 4.5Å; R345-E349 WeakPolarHBondContact CG-OE1 3.09Å; R345-E349 WeakPolarHBondContact O-CG 3.32Å; R345-E349 PolarHBondContact O-N 3.28Å
346K96Very high93.1Very high128 Ų12858.8 Ų58.856%0.55732%0.323SS*.Hα-helixtrans-60.3-32.9178.7-174.2175.6-174.5174.10112.7A342 L344 K350A342-K346 WeakPolarHBondContact O-CB 3.33Å; A342-K346 PolarHBondContact O-N 3.17Å; A342-K346 VanDerWaalsContact O-N 3.12Å; L344-K346 PolarHBondContact O-N 2.86Å; K346-K350 WeakPolarHBondContact O-CG 3.14Å; K346-K350 PolarHBondContact O-N 3.37Å
347K96.9Very high93.2Very high58 Ų5865.9 Ų65.925%0.25235%0.35SS..Hα-helixtrans-73.8-40176.9-166.7176-176.61750111.4I296 I299 S300 T343 L344 R345 K350 F351I296-K347 HydrophobicContact CG2-CD 3.94Å; I296-K347 WeakPolarHBondContact O-CE 3.44Å; I296-K347 PolarHBondContact O-NZ 3.47Å; I299-K347 HydrophobicContact CB-CD 4.32Å; I299-K347 HydrophobicContact CB-CG 4.44Å; I299-K347 HydrophobicContact CD1-CB 4.26Å; I299-K347 HydrophobicContact CD1-CD 4.44Å; I299-K347 HydrophobicContact CD1-CG 4.18Å; I299-K347 HydrophobicContact CG2-CD 4.21Å; I299-K347 HydrophobicContact CG2-CG 3.92Å; S300-K347 PolarHBondContact OG-NZ 3.44Å; T343-K347 WeakPolarHBondContact O-CB 3.47Å; T343-K347 PolarHBondContact O-N 3.28Å; T343-K347 VanDerWaalsContact O-N 3.08Å; L344-K347 WeakPolarHBondContact O-CB 3.29Å; L344-K347 PolarHBondContact O-N 3.48Å; R345-K347 PolarHBondContact O-N 2.82Å; K347-K350 PolarHBondContact O-N 3.46Å; K347-F351 WeakPolarHBondContact O-CB 3.41Å; K347-F351 PolarHBondContact O-N 3.43Å
348A96.3Very high93.2Very high0 Ų068.7 Ų68.70%036%0.357CS..Hα-helixtrans-62.5-48.3175.500000111.3I299 F331 F332 A335 L344 R345 K350 F351 Q352I299-A348 HydrophobicContact CD1-CB 4.02Å; F331-A348 HydrophobicContact CE1-CB 4.47Å; F332-A348 HydrophobicContact CD1-CB 4.36Å; A335-A348 HydrophobicContact CB-CB 3.83Å; L344-A348 PolarHBondContact O-N 3.34Å; R345-A348 WeakPolarHBondContact O-CB 3.46Å; R345-A348 PolarHBondContact O-N 3.49Å; R345-A348 VanDerWaalsContact O-N 3.1Å; A348-K350 VanDerWaalsContact C-N 3.33Å; A348-K350 PolarHBondContact O-N 3.26Å; A348-F351 WeakPolarHBondContact O-CB 3.21Å; A348-F351 PolarHBondContact O-N 3.04Å; A348-Q352 WeakPolarHBondContact O-CB 3.33Å; A348-Q352 PolarHBondContact O-N 3.22Å
349E95.8Very high93.2Very high92 Ų9262.6 Ų62.643%0.4333%0.325SS..Hα-helixtrans-55.9-45.6176.3-70.5167.2178.400112.1R345 F351 A353R345-E349 HydrophobicContact CG-CG 4.5Å; R345-E349 WeakPolarHBondContact CG-OE1 3.09Å; R345-E349 WeakPolarHBondContact O-CG 3.32Å; R345-E349 PolarHBondContact O-N 3.28Å; E349-F351 VanDerWaalsContact C-N 3.33Å; E349-F351 PolarHBondContact O-N 3.27Å; E349-A353 WeakPolarHBondContact O-CB 3.42Å; E349-A353 PolarHBondContact O-N 2.93Å
350K96.6Very high93.2Very high138 Ų13870.2 Ų70.260%0.634%0.339SS*.Hα-helixtrans-64.3-38.9176.4-75.7179.2177.5-171.30112.4K346 K347 A348 H354K346-K350 WeakPolarHBondContact O-CG 3.14Å; K346-K350 PolarHBondContact O-N 3.37Å; K347-K350 PolarHBondContact O-N 3.46Å; A348-K350 VanDerWaalsContact C-N 3.33Å; A348-K350 PolarHBondContact O-N 3.26Å; K350-H354 WeakPolarHBondContact O-CB 3.38Å; K350-H354 PolarHBondContact O-N 2.94Å
351F96.4Very high93Very high7 Ų771.4 Ų71.43%0.03134%0.343CS..Hα-helixtrans-69.2-44.5179.6-178-134000111.3I299 L302 Y303 L306 F332 K347 A348 E349 A353 H354 L355I299-F351 HydrophobicContact CB-CD1 4.49Å; I299-F351 HydrophobicContact CG1-CD1 4.36Å; I299-F351 HydrophobicContact CG2-CB 3.66Å; I299-F351 HydrophobicContact CG2-CD1 3.74Å; I299-F351 HydrophobicContact CG2-CD2 4.31Å; I299-F351 HydrophobicContact CG2-CE1 4.46Å; I299-F351 HydrophobicContact CG2-CG 3.65Å; L302-F351 HydrophobicContact CB-CE1 4Å; L302-F351 HydrophobicContact CB-CZ 3.68Å; L302-F351 HydrophobicContact CD1-CE1 4.34Å; Y303-F351 HydrophobicContact CD2-CD2 4.32Å; Y303-F351 HydrophobicContact CD2-CE2 4.37Å; L306-F351 HydrophobicContact CD1-CZ 4.02Å; F332-F351 HydrophobicContact CE1-CB 4.41Å; F332-F351 AromaticContact CE1-CD1 3.75Å; F332-F351 HydrophobicContact CE1-CD1 3.75Å; F332-F351 HydrophobicContact CE1-CG 4.44Å; F332-F351 AromaticContact CZ-CD1 3.65Å; F332-F351 HydrophobicContact CZ-CD1 3.65Å; F332-F351 HydrophobicContact CZ-CE1 4.11Å; F332-F351 HydrophobicContact CZ-CG 4.35Å; K347-F351 WeakPolarHBondContact O-CB 3.41Å; K347-F351 PolarHBondContact O-N 3.43Å; A348-F351 WeakPolarHBondContact O-CB 3.21Å; A348-F351 PolarHBondContact O-N 3.04Å; E349-F351 VanDerWaalsContact C-N 3.33Å; E349-F351 PolarHBondContact O-N 3.27Å; F351-A353 PolarHBondContact O-N 3.21Å; F351-H354 WeakPolarHBondContact O-CB 3.33Å; F351-H354 PolarHBondContact O-N 3.27Å; F351-H354 VanDerWaalsContact O-N 3.14Å; F351-L355 HydrophobicContact CD1-CD1 4.39Å; F351-L355 HydrophobicContact CD2-CD1 4.44Å; F351-L355 HydrophobicContact CD2-CD2 4.5Å; F351-L355 HydrophobicContact CD2-CG 4.14Å; F351-L355 HydrophobicContact CE1-CD1 3.89Å; F351-L355 HydrophobicContact CE2-CD1 3.93Å; F351-L355 HydrophobicContact CE2-CD2 3.78Å; F351-L355 HydrophobicContact CE2-CG 3.78Å; F351-L355 HydrophobicContact CZ-CD1 3.65Å; F351-L355 HydrophobicContact CZ-CD2 4.12Å; F351-L355 HydrophobicContact CZ-CG 4.04Å; F351-L355 WeakPolarHBondContact O-CG 3.49Å; F351-L355 PolarHBondContact O-N 3.08Å
352Q95.1Very high92.5Very high52 Ų5273.3 Ų73.324%0.24335%0.353CS..Hα-helixtrans-54.5-51.8172.6-171.9-1805.600110.9F332 A348 H354 L355 T356 F363F332-Q352 HydrophobicContact CD1-CB 3.83Å; F332-Q352 HydrophobicContact CD1-CG 4.31Å; F332-Q352 HydrophobicContact CD2-CB 4.01Å; F332-Q352 HydrophobicContact CD2-CG 3.71Å; F332-Q352 HydrophobicContact CE1-CB 3.73Å; F332-Q352 HydrophobicContact CE1-CG 4.5Å; F332-Q352 HydrophobicContact CE2-CB 3.92Å; F332-Q352 HydrophobicContact CE2-CG 3.93Å; F332-Q352 HydrophobicContact CG-CB 3.98Å; F332-Q352 HydrophobicContact CG-CG 3.94Å; F332-Q352 HydrophobicContact CZ-CB 3.79Å; F332-Q352 HydrophobicContact CZ-CG 4.33Å; A348-Q352 WeakPolarHBondContact O-CB 3.33Å; A348-Q352 PolarHBondContact O-N 3.22Å; Q352-H354 VanDerWaalsContact C-N 3.29Å; Q352-H354 PolarHBondContact O-N 3.46Å; Q352-L355 PolarHBondContact O-N 3.46Å; Q352-L355 VanDerWaalsContact O-N 3.17Å; Q352-T356 PolarHBondContact O-N 2.8Å; Q352-T356 PolarHBondContact O-OG1 3.33Å; Q352-F363 HydrophobicContact CG-CB 4.36Å; Q352-F363 HydrophobicContact CG-CD2 3.78Å; Q352-F363 HydrophobicContact CG-CE2 4.43Å; Q352-F363 HydrophobicContact CG-CG 4.35Å
353A94.9Very high92.1Very high61 Ų6171.1 Ų71.150%0.50433%0.333SS..Hα-helixtrans-60.1-37.1177.900000112.9E349 F351 K357E349-A353 WeakPolarHBondContact O-CB 3.42Å; E349-A353 PolarHBondContact O-N 2.93Å; F351-A353 PolarHBondContact O-N 3.21Å; A353-K357 WeakPolarHBondContact O-CB 3.16Å; A353-K357 PolarHBondContact O-N 3.48Å
354H94.3Very high91.1Very high60 Ų6071 Ų7128%0.27834%0.341SS..Hα-helixtrans-63.9-47.6175176.779.2000111.9Y303 K350 F351 Q352 K357 K358Y303-H354 AromaticContact CD2-CD2 3.91Å; Y303-H354 AromaticContact CE2-CD2 3.71Å; Y303-H354 AromaticContact CE2-CE1 3.71Å; Y303-H354 AromaticContact CE2-CG 3.99Å; Y303-H354 AromaticContact CE2-ND1 3.99Å; Y303-H354 AromaticContact CE2-NE2 3.54Å; K350-H354 WeakPolarHBondContact O-CB 3.38Å; K350-H354 PolarHBondContact O-N 2.94Å; F351-H354 WeakPolarHBondContact O-CB 3.33Å; F351-H354 PolarHBondContact O-N 3.27Å; F351-H354 VanDerWaalsContact O-N 3.14Å; Q352-H354 VanDerWaalsContact C-N 3.29Å; Q352-H354 PolarHBondContact O-N 3.46Å; H354-K357 PolarHBondContact O-N 3.32Å; H354-K358 VanDerWaalsContact O-CB 3.3Å; H354-K358 WeakPolarHBondContact O-CB 3.48Å; H354-K358 PolarHBondContact O-N 2.96Å
355L91.4Very high89.7Confident1 Ų173.3 Ų73.31%0.00536%0.36CS..Hα-helixtrans-65.3-44.5-179.6-67.1-175.8000111.9L306 L328 F332 F351 Q352 K357 K358 F359 W361 F363L306-L355 HydrophobicContact CD1-CD1 4.1Å; L306-L355 HydrophobicContact CD1-CD2 3.73Å; L328-L355 HydrophobicContact CD1-CD1 3.73Å; F332-L355 HydrophobicContact CE2-CD1 4.24Å; F332-L355 HydrophobicContact CZ-CD1 4.04Å; F351-L355 HydrophobicContact CD1-CD1 4.39Å; F351-L355 HydrophobicContact CD2-CD1 4.44Å; F351-L355 HydrophobicContact CD2-CD2 4.5Å; F351-L355 HydrophobicContact CD2-CG 4.14Å; F351-L355 HydrophobicContact CE1-CD1 3.89Å; F351-L355 HydrophobicContact CE2-CD1 3.93Å; F351-L355 HydrophobicContact CE2-CD2 3.78Å; F351-L355 HydrophobicContact CE2-CG 3.78Å; F351-L355 HydrophobicContact CZ-CD1 3.65Å; F351-L355 HydrophobicContact CZ-CD2 4.12Å; F351-L355 HydrophobicContact CZ-CG 4.04Å; F351-L355 WeakPolarHBondContact O-CG 3.49Å; F351-L355 PolarHBondContact O-N 3.08Å; Q352-L355 PolarHBondContact O-N 3.46Å; Q352-L355 VanDerWaalsContact O-N 3.17Å; L355-K357 VanDerWaalsContact C-N 3.29Å; L355-K357 PolarHBondContact O-N 3.49Å; L355-K358 PolarHBondContact O-N 3.48Å; L355-F359 HydrophobicContact CB-CD2 4.44Å; L355-F359 HydrophobicContact CD2-CD2 3.75Å; L355-F359 HydrophobicContact CD2-CE2 3.58Å; L355-F359 PolarHBondContact O-N 2.91Å; L355-W361 HydrophobicContact CB-CE3 4.45Å; L355-W361 HydrophobicContact CD1-CZ3 4.45Å; L355-F363 HydrophobicContact CB-CE2 3.79Å; L355-F363 HydrophobicContact CB-CZ 4.09Å; L355-F363 HydrophobicContact CD1-CE2 4.34Å; L355-F363 HydrophobicContact CD1-CZ 3.97Å
356T90.4Very high88Confident62 Ų6277.8 Ų77.838%0.3838%0.384SS..Hα-helixtrans-58-42.7174.2-630000111.2Q352 R360 W361Q352-T356 PolarHBondContact O-N 2.8Å; Q352-T356 PolarHBondContact O-OG1 3.33Å; T356-R360 WeakPolarHBondContact O-CA 3.43Å; T356-R360 PolarHBondContact O-N 2.72Å; T356-W361 WeakPolarHBondContact CA-O 3.39Å; T356-W361 WeakPolarHBondContact CB-O 3.28Å; T356-W361 WeakPolarHBondContact CG2-O 3.29Å; T356-W361 PolarHBondContact OG1-O 2.87Å
357K91.1Very high86.3Confident187 Ų18774.6 Ų74.681%0.81338%0.376SS*.Hα-helixtrans-68.8-42.4177.6-175.4177.8179.1179.10113.1A353 H354 L355A353-K357 WeakPolarHBondContact O-CB 3.16Å; A353-K357 PolarHBondContact O-N 3.48Å; H354-K357 PolarHBondContact O-N 3.32Å; L355-K357 VanDerWaalsContact C-N 3.29Å; L355-K357 PolarHBondContact O-N 3.49Å
358K87.9Confident84.2Confident98 Ų9880.3 Ų80.343%0.42640%0.403SS..Hα-helixtrans-78-45-172.8-175.6176176.3-171.10112.3H354 L355H354-K358 VanDerWaalsContact O-CB 3.3Å; H354-K358 WeakPolarHBondContact O-CB 3.48Å; H354-K358 PolarHBondContact O-N 2.96Å; L355-K358 PolarHBondContact O-N 3.48Å
359F85.3Confident82.3Confident30 Ų3088 Ų8813%0.13244%0.444CS..Hα-helixtrans-107.5-5.5-172.2-59.1-68.9000113.9L306 F314 L355 W361L306-F359 HydrophobicContact CB-CE2 4.39Å; L306-F359 HydrophobicContact CB-CZ 4.47Å; L306-F359 WeakPolarHBondContact O-CZ 3.35Å; F314-F359 HydrophobicContact CD2-CD1 4.14Å; F314-F359 HydrophobicContact CD2-CE1 4.02Å; F314-F359 HydrophobicContact CE2-CD1 4.07Å; F314-F359 AromaticContact CE2-CE1 3.52Å; F314-F359 HydrophobicContact CE2-CE1 3.52Å; F314-F359 AromaticContact CE2-CZ 3.95Å; F314-F359 HydrophobicContact CE2-CZ 3.95Å; F314-F359 HydrophobicContact CZ-CE1 4.48Å; L355-F359 HydrophobicContact CB-CD2 4.44Å; L355-F359 HydrophobicContact CD2-CD2 3.75Å; L355-F359 HydrophobicContact CD2-CE2 3.58Å; L355-F359 PolarHBondContact O-N 2.91Å; F359-W361 HydrophobicContact CB-CD2 3.69Å; F359-W361 HydrophobicContact CB-CE3 4.29Å; F359-W361 HydrophobicContact CB-CG 3.83Å; F359-W361 HydrophobicContact CB-CZ2 4.24Å; F359-W361 HydrophobicContact CD2-CE3 4.33Å; F359-W361 HydrophobicContact CD2-CH2 4.45Å; F359-W361 HydrophobicContact CD2-CZ3 4.31Å; F359-W361 HydrophobicContact CG-CD2 4.36Å; F359-W361 HydrophobicContact CG-CZ2 4.28Å; F359-W361 PolarHBondContact O-N 2.78Å
360R85.3Confident80.3Confident228 Ų22887.5 Ų87.586%0.8645%0.45SS*.  trans59.929.2-174.8-51.9-178.6179.8-179.4-0.1113.1T356T356-R360 WeakPolarHBondContact O-CA 3.43Å; T356-R360 PolarHBondContact O-N 2.72Å
361W86.1Confident78.6Confident29 Ų2983.6 Ų83.611%0.1144%0.444CS..  trans-78.8133.3174.6-64.7-15.6000110.9F314 N322 L324 T325 L328 L355 T356 F359 F363F314-W361 HydrophobicContact CB-CZ2 4.06Å; F314-W361 HydrophobicContact CD1-CH2 4.05Å; F314-W361 AromaticContact CD1-CZ2 3.85Å; F314-W361 HydrophobicContact CD1-CZ2 3.85Å; F314-W361 HydrophobicContact CD2-CZ2 4.08Å; F314-W361 HydrophobicContact CE1-CH2 4.05Å; F314-W361 HydrophobicContact CE1-CZ2 4.28Å; F314-W361 HydrophobicContact CE2-CZ2 4.48Å; F314-W361 HydrophobicContact CG-CH2 4.32Å; F314-W361 AromaticContact CG-CZ2 3.73Å; F314-W361 HydrophobicContact CG-CZ2 3.73Å; F314-W361 HydrophobicContact CZ-CH2 4.29Å; N322-W361 WeakPolarHBondContact ND2-CZ2 3.35Å; L324-W361 HydrophobicContact CB-CH2 4.2Å; L324-W361 HydrophobicContact CB-CZ3 4.49Å; L324-W361 HydrophobicContact CD1-CH2 4.34Å; T325-W361 HydrophobicContact CG2-CB 4.08Å; T325-W361 HydrophobicContact CG2-CD2 3.47Å; T325-W361 VanDerWaalsContact CG2-CD2 3.47Å; T325-W361 HydrophobicContact CG2-CE3 3.9Å; T325-W361 HydrophobicContact CG2-CG 3.57Å; T325-W361 HydrophobicContact CG2-CZ2 4.38Å; T325-W361 HydrophobicContact CG2-CZ3 4.49Å; L328-W361 HydrophobicContact CD1-CZ3 4.15Å; L355-W361 HydrophobicContact CB-CE3 4.45Å; L355-W361 HydrophobicContact CD1-CZ3 4.45Å; T356-W361 WeakPolarHBondContact CA-O 3.39Å; T356-W361 WeakPolarHBondContact CB-O 3.28Å; T356-W361 WeakPolarHBondContact CG2-O 3.29Å; T356-W361 PolarHBondContact OG1-O 2.87Å; F359-W361 HydrophobicContact CB-CD2 3.69Å; F359-W361 HydrophobicContact CB-CE3 4.29Å; F359-W361 HydrophobicContact CB-CG 3.83Å; F359-W361 HydrophobicContact CB-CZ2 4.24Å; F359-W361 HydrophobicContact CD2-CE3 4.33Å; F359-W361 HydrophobicContact CD2-CH2 4.45Å; F359-W361 HydrophobicContact CD2-CZ3 4.31Å; F359-W361 HydrophobicContact CG-CD2 4.36Å; F359-W361 HydrophobicContact CG-CZ2 4.28Å; F359-W361 PolarHBondContact O-N 2.78Å; W361-F363 HydrophobicContact CB-CE2 4.06Å; W361-F363 HydrophobicContact CB-CZ 4.05Å; W361-F363 HydrophobicContact CE3-CE1 4.39Å; W361-F363 AromaticContact CE3-CZ 3.72Å; W361-F363 HydrophobicContact CE3-CZ 3.72Å
362D83.1Confident77.1Confident101 Ų10188.6 Ų88.654%0.5448%0.477SS..  trans-96125.8171-167.6-4.6000109.5A364 A365D362-A364 WeakPolarHBondContact OD1-CB 3.28Å; D362-A364 PolarHBondContact OD1-N 3.35Å; D362-A365 HydrophobicContact CB-CB 4.5Å; D362-A365 PolarHBondContact OD1-N 3.34Å; D362-A365 WeakPolarHBondContact OD2-CB 3.48Å
363F84.7Confident76.2Confident12 Ų1292.5 Ų92.55%0.05350%0.504CS..SBendtrans-112.40.1177-61.2-71.5000112.1L328 Q329 F332 Q352 L355 W361L328-F363 HydrophobicContact CB-CE1 3.73Å; L328-F363 HydrophobicContact CB-CZ 4.27Å; Q329-F363 HydrophobicContact CB-CD1 4.11Å; F332-F363 HydrophobicContact CD2-CB 4.37Å; F332-F363 AromaticContact CD2-CD1 3.99Å; F332-F363 HydrophobicContact CD2-CD1 3.99Å; F332-F363 HydrophobicContact CD2-CD2 4.17Å; F332-F363 HydrophobicContact CD2-CE1 4.21Å; F332-F363 HydrophobicContact CD2-CE2 4.38Å; F332-F363 AromaticContact CD2-CG 3.94Å; F332-F363 HydrophobicContact CD2-CG 3.94Å; F332-F363 HydrophobicContact CD2-CZ 4.35Å; F332-F363 HydrophobicContact CE2-CD1 4.16Å; F332-F363 HydrophobicContact CE2-CD2 4.06Å; F332-F363 AromaticContact CE2-CE1 3.93Å; F332-F363 HydrophobicContact CE2-CE1 3.93Å; F332-F363 AromaticContact CE2-CE2 3.82Å; F332-F363 HydrophobicContact CE2-CE2 3.82Å; F332-F363 HydrophobicContact CE2-CG 4.19Å; F332-F363 AromaticContact CE2-CZ 3.7Å; F332-F363 HydrophobicContact CE2-CZ 3.7Å; Q352-F363 HydrophobicContact CG-CB 4.36Å; Q352-F363 HydrophobicContact CG-CD2 3.78Å; Q352-F363 HydrophobicContact CG-CE2 4.43Å; Q352-F363 HydrophobicContact CG-CG 4.35Å; L355-F363 HydrophobicContact CB-CE2 3.79Å; L355-F363 HydrophobicContact CB-CZ 4.09Å; L355-F363 HydrophobicContact CD1-CE2 4.34Å; L355-F363 HydrophobicContact CD1-CZ 3.97Å; W361-F363 HydrophobicContact CB-CE2 4.06Å; W361-F363 HydrophobicContact CB-CZ 4.05Å; W361-F363 HydrophobicContact CE3-CE1 4.39Å; W361-F363 AromaticContact CE3-CZ 3.72Å; W361-F363 HydrophobicContact CE3-CZ 3.72Å
364A75.1Confident75.3Confident87 Ų8795.7 Ų95.772%0.71952%0.517SS*.SBendtrans-98.4-23.4178.900000112.3D362 E366D362-A364 WeakPolarHBondContact OD1-CB 3.28Å; D362-A364 PolarHBondContact OD1-N 3.35Å; A364-E366 PolarHBondContact O-N 3.15Å
365A66.3Low74.5Confident50 Ų5097.9 Ų97.941%0.41354%0.535SS..SBendtrans-67.1125.3174.600000111Q329 D362Q329-A365 PolarHBondContact NE2-O 2.99Å; D362-A365 HydrophobicContact CB-CB 4.5Å; D362-A365 PolarHBondContact OD1-N 3.34Å; D362-A365 WeakPolarHBondContact OD2-CB 3.48Å
366E59.7Low73.9Confident153 Ų153106.4 Ų106.472%0.71557%0.574SS**PPolyproline II helixtrans-66.6135.8168-64.9-121.2140.700108.9A364 E368A364-E366 PolarHBondContact O-N 3.15Å; E366-E368 PolarHBondContact O-N 3.44Å
367P59Low73.2Confident60 Ų60108.5 Ų108.539%0.3958%0.583SS.*PPolyproline II helixtrans-55.4138.2173.6-21.732.1000110.3D369 C370P367-D369 PolarHBondContact O-N 2.89Å; P367-D369 VanDerWaalsContact O-N 3.1Å; P367-C370 WeakPolarHBondContact O-CA 3.46Å; P367-C370 WeakPolarHBondContact O-CB 3.45Å; P367-C370 PolarHBondContact O-N 2.88Å
368E53.8Low72.4Confident178 Ų178104.2 Ų104.283%0.83257%0.574SS**G310 helixtrans-56.7-29.9-179.9-69.3-173.6172.300112.3E366 C370 A371E366-E368 PolarHBondContact O-N 3.44Å; E368-C370 PolarHBondContact O-N 3.1Å; E368-A371 WeakPolarHBondContact O-CB 3.3Å; E368-A371 PolarHBondContact O-N 2.91Å
369D55.3Low71.2Confident161 Ų161109.4 Ų109.486%0.86160%0.6SS**G310 helixtrans-66-17.3175-68-17.8000114.2P367P367-D369 PolarHBondContact O-N 2.89Å; P367-D369 VanDerWaalsContact O-N 3.1Å
370C53.7Low70.2Confident82 Ų82111.7 Ų111.755%0.55463%0.632SS**G310 helixtrans-95-4.9173.6-62.70000112.5P367 E368P367-C370 WeakPolarHBondContact O-CA 3.46Å; P367-C370 WeakPolarHBondContact O-CB 3.45Å; P367-C370 PolarHBondContact O-N 2.88Å; E368-C370 PolarHBondContact O-N 3.1Å
371A62.3Low68.7Low57 Ų57104.4 Ų104.447%0.47161%0.613SS.*SBendtrans-69137.6178.500000110.6E368 V373E368-A371 WeakPolarHBondContact O-CB 3.3Å; E368-A371 PolarHBondContact O-N 2.91Å; A371-V373 PolarHBondContact O-N 3.02Å
372P64.3Low67.3Low111 Ų111111.9 Ų111.972%0.72165%0.649SS**  trans-61.6135.2174.626.4-33.2000109.5V374P372-V374 PolarHBondContact O-N 3.47Å
373V76.9Confident66Low134 Ų134115.1 Ų115.181%0.81266%0.663SS**  trans-64.9107.8172.2179.90000108.1A371 V375A371-V373 PolarHBondContact O-N 3.02Å; V373-V375 HydrophobicContact CG1-CG2 4.33Å; V373-V375 PolarHBondContact O-N 2.87Å
374V75.3Confident64.3Low128 Ų128121.8 Ų121.878%0.77674%0.735SS**  trans-74.4108.5176.4-1770000108P372P372-V374 PolarHBondContact O-N 3.47Å
375V78.8Confident63.8Low107 Ų107123.6 Ų123.665%0.64874%0.736SS**  trans-93.4111.3172.7-177.70000107.7V373 L377V373-V375 HydrophobicContact CG1-CG2 4.33Å; V373-V375 PolarHBondContact O-N 2.87Å; V375-L377 PolarHBondContact O-N 2.9Å
376E77.2Confident63.7Low179 Ų179127.4 Ų127.484%0.83675%0.753SS**  trans-66.7115.8169.9-68.3-168.4168.200108.9
377L75.7Confident63.9Low106 Ų106126 Ų12656%0.55576%0.755SS**PPolyproline II helixtrans-75.2138.1174.1-65.3175.1000109V375 E379 T381V375-L377 PolarHBondContact O-N 2.9Å; L377-E379 PolarHBondContact O-N 2.79Å; L377-T381 HydrophobicContact CD1-CG2 4.37Å
378P75.6Confident64.2Low97 Ų97129.9 Ų129.963%0.6378%0.776SS**PPolyproline II helixtrans-58.8140.4175.618.9-25.4000110.7G380 T381P378-G380 PolarHBondContact O-N 3.2Å; P378-G380 VanDerWaalsContact O-N 3.11Å; P378-T381 PolarHBondContact O-N 3.49Å; P378-T381 PolarHBondContact O-OG1 3.19Å
379E61.2Low64.8Low208 Ų208126.9 Ų126.997%0.97277%0.773SS**THydrogen-bonded Turntrans-51.1117.5178.9-70.6-175.8160.200110.2L377L377-E379 PolarHBondContact O-N 2.79Å
380G64.4Low65.5Low77 Ų77124.6 Ų124.679%0.79477%0.767SS**THydrogen-bonded Turntrans112.95-178.400000116.1P378 E382P378-G380 PolarHBondContact O-N 3.2Å; P378-G380 VanDerWaalsContact O-N 3.11Å; G380-E382 PolarHBondContact O-N 3.43Å; G380-E382 VanDerWaalsContact O-N 3.15Å
381T54Low66.3Low76 Ų76127.6 Ų127.647%0.46678%0.782SS.*  trans-79.494.2173-440000110.1L377 P378 M383L377-T381 HydrophobicContact CD1-CG2 4.37Å; P378-T381 PolarHBondContact O-N 3.49Å; P378-T381 PolarHBondContact O-OG1 3.19Å; T381-M383 PolarHBondContact O-N 3.38Å
382E56.3Low66.6Low185 Ų185133.1 Ų133.186%0.86481%0.806SS**  trans-69124.7170-71.3-173.416600110G380 G384G380-E382 PolarHBondContact O-N 3.43Å; G380-E382 VanDerWaalsContact O-N 3.15Å; E382-G384 PolarHBondContact O-N 2.82Å
383M56.2Low66.8Low170 Ų170134.9 Ų134.984%0.83781%0.813SS**  trans-76.3103170-68-99.3-72.200107.8T381T381-M383 PolarHBondContact O-N 3.38Å
384G50.2Low65.9Low152 Ų152135 Ų135100%1.56781%0.813SS**  trans-69.40178.700000114.7E382E382-G384 PolarHBondContact O-N 2.82Å

Retrieved 384 of 384 residues in 777.9 ms (Link to these results)

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