A0A087YG92_POEFO Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A087YG92, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 375 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
1M50.4Low78.7Confident209 Ų209108.7 Ų108.7100%1.0349%0.494SS*.  0117.90-81174.8-173.100108.9T3M1-T3 PolarHBondContact O-N 3.4Å
2I53.1Low79.8Confident174 Ų174103.1 Ų103.189%0.89247%0.47SS*.  trans-86.9103.7173.2-60.6173000106.4R4I2-R4 PolarHBondContact O-N 3.22Å
3T61.8Low80.8Confident63 Ų6399.3 Ų99.339%0.38746%0.461SS..  trans-68.8114.9169.731.90000108M1 K5 Q300M1-T3 PolarHBondContact O-N 3.4Å; T3-K5 PolarHBondContact O-N 3.45Å; T3-K5 VanDerWaalsContact O-N 3.15Å; T3-Q300 HydrophobicContact CG2-CG 4.11Å; T3-Q300 PolarHBondContact OG1-NE2 3.43Å
4R75.6Confident81.8Confident174 Ų17494.5 Ų94.566%0.65745%0.452SS*.  trans-66.9115.3175-175-180175.6170.1-2.8107.7I2 V6I2-R4 PolarHBondContact O-N 3.22Å; R4-V6 HydrophobicContact CG-CG2 4.04Å; R4-V6 PolarHBondContact O-N 3.38Å
5K80.4Confident82.8Confident153 Ų15394.5 Ų94.567%0.66545%0.449SS*.EExtended strand (participates in β ladder)trans-76.6116.4171.2-67.2-178.9177.6-178.70107.9T3 L298T3-K5 PolarHBondContact O-N 3.45Å; T3-K5 VanDerWaalsContact O-N 3.15Å; K5-L298 HydrophobicContact CB-CD2 4.27Å; K5-L298 HydrophobicContact CD-CD1 4.34Å
6V88.4Confident83.6Confident5 Ų589.6 Ų89.63%0.0343%0.427CS..EExtended strand (participates in β ladder)trans-106.7145.1-179176.10000108.5R4 E10 K11 M299 E301R4-V6 HydrophobicContact CG-CG2 4.04Å; R4-V6 PolarHBondContact O-N 3.38Å; V6-E10 HydrophobicContact CG1-CB 4.04Å; V6-E10 WeakPolarHBondContact CG1-OE2 3.14Å; V6-K11 HydrophobicContact CG1-CG 3.96Å; V6-M299 PolarHBondContact N-O 3.43Å; V6-M299 PolarHBondContact O-N 3.47Å; V6-E301 HydrophobicContact CB-CG 4.4Å; V6-E301 HydrophobicContact CG2-CG 3.8Å
7R91.3Very high84.3Confident83 Ų8386.9 Ų86.931%0.31342%0.417SS..EExtended strand (participates in β ladder)trans-81.7140.5176.7-68.7-75.5-173.7-161.2-7.3109.5W9 E10 D21 R296R7-W9 VanDerWaalsContact CB-CD1 3.44Å; R7-W9 HydrophobicContact CB-CG 4.26Å; R7-W9 VanDerWaalsContact CB-NE1 3.31Å; R7-W9 PolarHBondContact O-N 3.25Å; R7-W9 VanDerWaalsContact O-N 3.14Å; R7-E10 HydrophobicContact CB-CG 4.17Å; R7-E10 PolarHBondContact N-OE2 3.15Å; R7-E10 WeakPolarHBondContact O-CB 3.06Å; R7-E10 PolarHBondContact O-N 3.45Å; R7-D21 IonicContact NE-OD1 2.77Å; R7-D21 PolarHBondContact NE-OD1 2.93Å; R7-R296 WeakPolarHBondContact CD-O 3.46Å; R7-R296 PolarHBondContact NH1-O 2.96Å
8K91.3Very high84.9Confident73 Ų7384.1 Ų84.132%0.31740%0.403SS..G310 helixtrans-53.6-36.5179.9-78.8178.8178.3177.80113.5E10 K11 L12 D294 G297 M299K8-E10 PolarHBondContact O-N 3.1Å; K8-K11 PolarHBondContact O-N 3.42Å; K8-L12 PolarHBondContact O-N 2.81Å; K8-D294 WeakPolarHBondContact CB-O 3.45Å; K8-D294 HydrophobicContact CD-CB 4.04Å; K8-D294 WeakPolarHBondContact CD-O 3.39Å; K8-D294 WeakPolarHBondContact CD-OD2 3.46Å; K8-D294 IonicContact NZ-OD2 3.63Å; K8-D294 PolarHBondContact NZ-OD2 3.23Å; K8-G297 WeakPolarHBondContact CG-O 3.15Å; K8-G297 PolarHBondContact N-O 3.01Å; K8-M299 HydrophobicContact CB-SD 4.34Å; K8-M299 HydrophobicContact CD-CG 4.32Å; K8-M299 HydrophobicContact CG-CG 3.44Å; K8-M299 VanDerWaalsContact CG-CG 3.44Å; K8-M299 HydrophobicContact CG-SD 3.62Å
9W92Very high85.3Confident51 Ų5182.8 Ų82.819%0.19340%0.403CS..G310 helixtrans-63.3-26.7178.269.3-99.7000113.7R7 K11 L12 F18 R295R7-W9 VanDerWaalsContact CB-CD1 3.44Å; R7-W9 HydrophobicContact CB-CG 4.26Å; R7-W9 VanDerWaalsContact CB-NE1 3.31Å; R7-W9 PolarHBondContact O-N 3.25Å; R7-W9 VanDerWaalsContact O-N 3.14Å; W9-K11 PolarHBondContact O-N 3.39Å; W9-L12 PolarHBondContact O-N 3.45Å; W9-F18 HydrophobicContact CB-CD1 4.3Å; W9-F18 HydrophobicContact CB-CG 4.39Å; W9-F18 HydrophobicContact CD2-CB 4.15Å; W9-F18 HydrophobicContact CE3-CB 3.34Å; W9-F18 HydrophobicContact CE3-CD2 4.18Å; W9-F18 AromaticContact CE3-CG 3.86Å; W9-F18 HydrophobicContact CE3-CG 3.86Å; W9-F18 HydrophobicContact CZ3-CB 3.71Å; W9-R295 HydrophobicContact CB-CB 4.05Å; W9-R295 HydrophobicContact CB-CG 4.47Å; W9-R295 WeakPolarHBondContact CB-O 3.32Å; W9-R295 VanDerWaalsContact CD1-O 3.23Å; W9-R295 PolarHBondContact N-O 3.47Å
10E91.3Very high85.7Confident90 Ų9083 Ų8342%0.42141%0.412SS..G310 helixtrans-71.7-24179.6-62.6176.1135.200111.9V6 R7 K8V6-E10 HydrophobicContact CG1-CB 4.04Å; V6-E10 WeakPolarHBondContact CG1-OE2 3.14Å; R7-E10 HydrophobicContact CB-CG 4.17Å; R7-E10 PolarHBondContact N-OE2 3.15Å; R7-E10 WeakPolarHBondContact O-CB 3.06Å; R7-E10 PolarHBondContact O-N 3.45Å; K8-E10 PolarHBondContact O-N 3.1Å
11K90.6Very high86Confident121 Ų12181.6 Ų81.653%0.52641%0.406SS..G310 helixtrans-111.24.8179.1-58.1-67.3-175.31640112.6V6 K8 W9 P13 E301V6-K11 HydrophobicContact CG1-CG 3.96Å; K8-K11 PolarHBondContact O-N 3.42Å; W9-K11 PolarHBondContact O-N 3.39Å; K11-P13 WeakPolarHBondContact O-CD 3.39Å; K11-E301 WeakPolarHBondContact CE-OE1 3.39Å; K11-E301 IonicContact NZ-OE1 2.88Å; K11-E301 PolarHBondContact NZ-OE1 3.21Å
12L91.9Very high88Confident41 Ų4171.6 Ų71.622%0.21536%0.357CS..  trans-64.2123.7179.6-169.881.1000108.8K8 W9 F18 M25 L293K8-L12 PolarHBondContact O-N 2.81Å; W9-L12 PolarHBondContact O-N 3.45Å; L12-F18 HydrophobicContact CB-CE2 4.45Å; L12-F18 HydrophobicContact CB-CZ 4.43Å; L12-F18 HydrophobicContact CD2-CE1 4.28Å; L12-F18 HydrophobicContact CD2-CE2 4.23Å; L12-F18 HydrophobicContact CD2-CZ 3.5Å; L12-M25 HydrophobicContact CD2-CE 4.43Å; L12-L293 HydrophobicContact CD1-CD1 4.27Å; L12-L293 HydrophobicContact CD1-CD2 3.95Å; L12-L293 HydrophobicContact CD2-CD1 3.79Å
13P92.7Very high89.8Confident54 Ų5470.7 Ų70.735%0.35134%0.342SS..  trans-70.6156.2-177.232.2-38.2000111.4K11 R91 N155K11-P13 WeakPolarHBondContact O-CD 3.39Å; P13-R91 HydrophobicContact CG-CG 3.83Å; P13-N155 PolarHBondContact O-ND2 2.91Å; P13-N155 PolarHBondContact O-OD1 3.22Å
14G94.2Very high91.4Very high32 Ų3268.8 Ų68.833%0.3333%0.33SS..SBendtrans114.7-168.9-178.900000112.8
15K96.4Very high92.3Very high95 Ų9560.5 Ų60.541%0.41330%0.299SS..SBendtrans-111.18.6-175.5-68175.5-174.1169.50113R28 I152 C153 D154K15-R28 WeakPolarHBondContact O-CB 3.4Å; K15-I152 WeakPolarHBondContact CB-O 3.44Å; K15-C153 PolarHBondContact N-O 3.36Å; K15-D154 HydrophobicContact CB-CB 4.19Å; K15-D154 HydrophobicContact CD-CB 3.92Å; K15-D154 HydrophobicContact CG-CB 3.74Å
16N96Very high93.1Very high16 Ų1653.5 Ų53.59%0.08627%0.269CS..  trans-65.3146.9174.7-72.7101.6000110.8F18 M25 M26 N155N16-F18 HydrophobicContact CB-CE2 3.95Å; N16-F18 HydrophobicContact CB-CZ 3.88Å; N16-M25 HydrophobicContact CB-CE 3.7Å; N16-M25 HydrophobicContact CB-CG 4.12Å; N16-M25 WeakPolarHBondContact OD1-CE 3.32Å; N16-M26 CarbonylContact C-O 3.19Å; N16-M26 VanDerWaalsContact CA-O 3.23Å; N16-M26 WeakPolarHBondContact CA-O 2.99Å; N16-M26 WeakPolarHBondContact CB-O 3.08Å; N16-M26 PolarHBondContact ND2-O 3.4Å; N16-N155 PolarHBondContact OD1-ND2 2.91Å
17T95.2Very high93.4Very high43 Ų4353.3 Ų53.326%0.26427%0.267SS..EExtended strand (participates in β ladder)trans-106.4144.2173.659.50000109.3M25 M26 A27 K30T17-M25 WeakPolarHBondContact O-CA 3.25Å; T17-M26 PolarHBondContact N-O 2.84Å; T17-M26 PolarHBondContact O-N 2.93Å; T17-A27 PolarHBondContact OG1-O 2.9Å; T17-K30 WeakPolarHBondContact OG1-CE 3.43Å; T17-K30 PolarHBondContact OG1-NZ 3.05Å
18F95.1Very high93.5Very high37 Ų3757.8 Ų57.816%0.16228%0.284CS..EExtended strand (participates in β ladder)trans-123.4145.3-175.5-62.2-84.9000110.6W9 L12 N16 V24 M25W9-F18 HydrophobicContact CB-CD1 4.3Å; W9-F18 HydrophobicContact CB-CG 4.39Å; W9-F18 HydrophobicContact CD2-CB 4.15Å; W9-F18 HydrophobicContact CE3-CB 3.34Å; W9-F18 HydrophobicContact CE3-CD2 4.18Å; W9-F18 AromaticContact CE3-CG 3.86Å; W9-F18 HydrophobicContact CE3-CG 3.86Å; W9-F18 HydrophobicContact CZ3-CB 3.71Å; L12-F18 HydrophobicContact CB-CE2 4.45Å; L12-F18 HydrophobicContact CB-CZ 4.43Å; L12-F18 HydrophobicContact CD2-CE1 4.28Å; L12-F18 HydrophobicContact CD2-CE2 4.23Å; L12-F18 HydrophobicContact CD2-CZ 3.5Å; N16-F18 HydrophobicContact CB-CE2 3.95Å; N16-F18 HydrophobicContact CB-CZ 3.88Å; F18-V24 VanDerWaalsContact CA-O 3.3Å; F18-V24 WeakPolarHBondContact CA-O 3.41Å; F18-M25 HydrophobicContact CD1-CB 3.98Å; F18-M25 HydrophobicContact CD1-CG 4.21Å; F18-M25 HydrophobicContact CE1-CB 3.73Å; F18-M25 HydrophobicContact CE1-CE 4.22Å; F18-M25 HydrophobicContact CE1-CG 3.54Å; F18-M25 HydrophobicContact CE1-SD 3.66Å; F18-M25 HydrophobicContact CZ-CE 3.96Å; F18-M25 HydrophobicContact CZ-CG 4Å; F18-M25 HydrophobicContact CZ-SD 4.03Å
19C93.6Very high93.5Very high59 Ų5959.8 Ų59.840%0.39930%0.295SS..EExtended strand (participates in β ladder)trans-148.3176.816767.60000110.9D21 G22 R23 V24C19-D21 PolarHBondContact O-N 2.78Å; C19-G22 PolarHBondContact O-N 3.47Å; C19-R23 PolarHBondContact O-N 2.93Å; C19-V24 PolarHBondContact N-O 3.26Å; C19-V24 PolarHBondContact O-N 3.09Å; C19-V24 VanDerWaalsContact O-N 3.16Å; C19-V24 WeakPolarHBondContact SG-CB 3.34Å; C19-V24 VanDerWaalsContact SG-CG1 3.52Å
20C93.7Very high93.5Very high87 Ų8760 Ų6059%0.58830%0.297SS*.THydrogen-bonded Turntrans5551.8-178-55.20000112.8G22 R23 V24C20-G22 VanDerWaalsContact C-N 3.33Å; C20-G22 PolarHBondContact O-N 2.72Å; C20-R23 HydrophobicContact CB-CB 4.32Å; C20-R23 VanDerWaalsContact O-CB 3.32Å; C20-R23 WeakPolarHBondContact O-CB 3.34Å; C20-R23 VanDerWaalsContact O-CG 3.25Å; C20-R23 WeakPolarHBondContact O-CG 3.38Å; C20-R23 PolarHBondContact O-N 3.25Å; C20-V24 HydrophobicContact CB-CG2 4.25Å
21D91.5Very high93.6Very high53 Ų5358.3 Ų58.328%0.28330%0.304SS..THydrogen-bonded Turntrans5546.5-177.4-174.742.2000112.4R7 C19 R23 R296R7-D21 IonicContact NE-OD1 2.77Å; R7-D21 PolarHBondContact NE-OD1 2.93Å; C19-D21 PolarHBondContact O-N 2.78Å; D21-R23 PolarHBondContact O-N 2.74Å; D21-R296 WeakPolarHBondContact O-CG 3.38Å; D21-R296 IonicContact OD2-CZ 2.78Å; D21-R296 VanDerWaalsContact OD2-CZ 3.26Å; D21-R296 IonicContact OD2-NE 3.53Å; D21-R296 PolarHBondContact OD2-NE 2.87Å; D21-R296 IonicContact OD2-NH2 2.72Å; D21-R296 PolarHBondContact OD2-NH2 3.17Å
22G91.1Very high93.9Very high0 Ų056 Ų560%030%0.297CS..THydrogen-bonded Turntrans71.18.9178.300000115.2C19 C20 R295C19-G22 PolarHBondContact O-N 3.47Å; C20-G22 VanDerWaalsContact C-N 3.33Å; C20-G22 PolarHBondContact O-N 2.72Å; G22-R295 PolarHBondContact O-NE 2.88Å; G22-R295 PolarHBondContact O-NH1 3.36Å
23R91.8Very high94.2Very high155 Ų15554.3 Ų54.359%0.58529%0.288SS*.THydrogen-bonded Turntrans-71.9-44.6177.2-68.9176.9-176.4-115.65.2111.5C19 C20 D21 R295C19-R23 PolarHBondContact O-N 2.93Å; C20-R23 HydrophobicContact CB-CB 4.32Å; C20-R23 VanDerWaalsContact O-CB 3.32Å; C20-R23 WeakPolarHBondContact O-CB 3.34Å; C20-R23 VanDerWaalsContact O-CG 3.25Å; C20-R23 WeakPolarHBondContact O-CG 3.38Å; C20-R23 PolarHBondContact O-N 3.25Å; D21-R23 PolarHBondContact O-N 2.74Å; R23-R295 PolarHBondContact O-NH1 2.81Å; R23-R295 PolarHBondContact O-NH2 2.9Å
24V95.3Very high94.4Very high22 Ų2258.1 Ų58.113%0.13330%0.296CS..EExtended strand (participates in β ladder)trans-88.4129.5177.5174.20000108.7F18 C19 C20 M26 F83F18-V24 VanDerWaalsContact CA-O 3.3Å; F18-V24 WeakPolarHBondContact CA-O 3.41Å; C19-V24 PolarHBondContact N-O 3.26Å; C19-V24 PolarHBondContact O-N 3.09Å; C19-V24 VanDerWaalsContact O-N 3.16Å; C19-V24 WeakPolarHBondContact SG-CB 3.34Å; C19-V24 VanDerWaalsContact SG-CG1 3.52Å; C20-V24 HydrophobicContact CB-CG2 4.25Å; V24-M26 HydrophobicContact CG1-CG 4.11Å; V24-F83 WeakPolarHBondContact CA-O 3.39Å; V24-F83 HydrophobicContact CB-CB 4.34Å; V24-F83 HydrophobicContact CG1-CB 3.85Å; V24-F83 HydrophobicContact CG1-CD1 3.79Å; V24-F83 HydrophobicContact CG1-CD2 4.46Å; V24-F83 HydrophobicContact CG1-CE1 4.49Å; V24-F83 HydrophobicContact CG1-CG 3.79Å; V24-F83 HydrophobicContact CG2-CB 4.18Å; V24-F83 HydrophobicContact CG2-CD2 4.27Å; V24-F83 HydrophobicContact CG2-CG 4.26Å
25M95.5Very high94.5Very high0 Ų060.4 Ų60.40%030%0.3CS..EExtended strand (participates in β ladder)trans-131126173.4174.7175.6-172.300108.7L12 N16 T17 F18 F83 D85 V88 N169L12-M25 HydrophobicContact CD2-CE 4.43Å; N16-M25 HydrophobicContact CB-CE 3.7Å; N16-M25 HydrophobicContact CB-CG 4.12Å; N16-M25 WeakPolarHBondContact OD1-CE 3.32Å; T17-M25 WeakPolarHBondContact O-CA 3.25Å; F18-M25 HydrophobicContact CD1-CB 3.98Å; F18-M25 HydrophobicContact CD1-CG 4.21Å; F18-M25 HydrophobicContact CE1-CB 3.73Å; F18-M25 HydrophobicContact CE1-CE 4.22Å; F18-M25 HydrophobicContact CE1-CG 3.54Å; F18-M25 HydrophobicContact CE1-SD 3.66Å; F18-M25 HydrophobicContact CZ-CE 3.96Å; F18-M25 HydrophobicContact CZ-CG 4Å; F18-M25 HydrophobicContact CZ-SD 4.03Å; M25-F83 PolarHBondContact N-O 2.79Å; M25-F83 CarbonylContact O-C 3.38Å; M25-F83 WeakPolarHBondContact O-CA 3.08Å; M25-D85 HydrophobicContact SD-CB 4.06Å; M25-V88 HydrophobicContact CE-CB 4.23Å; M25-V88 HydrophobicContact CE-CG2 3.57Å; M25-N169 PolarHBondContact O-ND2 3.46Å
26M96.4Very high94.5Very high7 Ų756.3 Ų56.33%0.03428%0.283CS..EExtended strand (participates in β ladder)trans-134167.4178.5-65.1-173.98000110.3N16 T17 V24 K30 F33 F83N16-M26 CarbonylContact C-O 3.19Å; N16-M26 VanDerWaalsContact CA-O 3.23Å; N16-M26 WeakPolarHBondContact CA-O 2.99Å; N16-M26 WeakPolarHBondContact CB-O 3.08Å; N16-M26 PolarHBondContact ND2-O 3.4Å; T17-M26 PolarHBondContact N-O 2.84Å; T17-M26 PolarHBondContact O-N 2.93Å; V24-M26 HydrophobicContact CG1-CG 4.11Å; M26-K30 HydrophobicContact CE-CG 4.36Å; M26-K30 HydrophobicContact SD-CD 4.21Å; M26-F33 HydrophobicContact CE-CD1 3.65Å; M26-F33 HydrophobicContact CE-CD2 4.29Å; M26-F33 HydrophobicContact CE-CE1 3.82Å; M26-F33 HydrophobicContact CE-CE2 4.45Å; M26-F33 HydrophobicContact CE-CG 3.88Å; M26-F33 HydrophobicContact CE-CZ 4.22Å; M26-F83 HydrophobicContact CE-CD1 4.21Å; M26-F83 HydrophobicContact CE-CE1 3.93Å; M26-F83 HydrophobicContact CG-CD1 3.81Å; M26-F83 HydrophobicContact CG-CE1 4.3Å; M26-F83 HydrophobicContact SD-CD1 3.64Å; M26-F83 HydrophobicContact SD-CE1 3.5Å; M26-F83 WeakPolarHBondContact SD-CE1 3.22Å
27A95.3Very high94.6Very high0 Ų057 Ų570%029%0.287CS..  trans-66.9167.1165.800000111.5T17 Q29 K30 G168T17-A27 PolarHBondContact OG1-O 2.9Å; A27-Q29 VanDerWaalsContact C-N 3.34Å; A27-K30 WeakPolarHBondContact O-CE 3.48Å; A27-G168 VanDerWaalsContact CB-O 3.31Å; A27-G168 WeakPolarHBondContact CB-O 3.39Å; A27-G168 PolarHBondContact N-O 2.96Å
28R93.6Very high94.7Very high178 Ų17861.9 Ų61.967%0.67231%0.305SS*.SBendtrans-65.7-37.6172.5-172.6172.8172.4173.8-3.1112.3K15 K30K15-R28 WeakPolarHBondContact O-CB 3.4Å; R28-K30 PolarHBondContact O-N 3.29Å
29Q91.3Very high94.7Very high115 Ų11563.2 Ų63.254%0.53731%0.313SS..  trans-86.6103.3-178.3-67.3177.7-19.800109.9A27A27-Q29 VanDerWaalsContact C-N 3.34Å
30K91.2Very high94.9Very high54 Ų5461 Ų6124%0.23530%0.297CS..  trans-109.5-4.7-177.7-57179.3-174.5-178.30114.3T17 M26 A27 R28 I32 F33 Y34T17-K30 WeakPolarHBondContact OG1-CE 3.43Å; T17-K30 PolarHBondContact OG1-NZ 3.05Å; M26-K30 HydrophobicContact CE-CG 4.36Å; M26-K30 HydrophobicContact SD-CD 4.21Å; A27-K30 WeakPolarHBondContact O-CE 3.48Å; R28-K30 PolarHBondContact O-N 3.29Å; K30-I32 PolarHBondContact O-N 3.14Å; K30-F33 WeakPolarHBondContact O-CB 3.43Å; K30-F33 PolarHBondContact O-N 3.21Å; K30-Y34 HydrophobicContact CB-CD2 4.37Å; K30-Y34 HydrophobicContact CB-CE2 3.81Å; K30-Y34 VanDerWaalsContact O-CD2 3.24Å; K30-Y34 WeakPolarHBondContact O-CD2 3.2Å; K30-Y34 PolarHBondContact O-N 3.5Å
31G94Very high95.1Very high56 Ų5660.2 Ų60.258%0.57729%0.286SS*.Hα-helixtrans-57.8-51.2-172.300000113.4F33 Y34 L35G31-F33 VanDerWaalsContact C-N 3.26Å; G31-F33 PolarHBondContact O-N 3.43Å; G31-Y34 PolarHBondContact O-N 3.44Å; G31-Y34 VanDerWaalsContact O-N 3.15Å; G31-L35 PolarHBondContact O-N 3.06Å
32I96.8Very high95.3Very high73 Ų7358.8 Ų58.837%0.37428%0.284SS..Hα-helixtrans-68.6-27.1-178.9-58.4175.8000111.5K30 L35 T36 P165 W166K30-I32 PolarHBondContact O-N 3.14Å; I32-L35 WeakPolarHBondContact O-CB 3.42Å; I32-L35 PolarHBondContact O-N 3.42Å; I32-T36 PolarHBondContact O-N 3.34Å; I32-T36 PolarHBondContact O-OG1 3.46Å; I32-P165 HydrophobicContact CB-CB 4.08Å; I32-P165 HydrophobicContact CD1-CB 3.63Å; I32-P165 HydrophobicContact CG1-CB 4.36Å; I32-P165 HydrophobicContact CG2-CB 4.29Å; I32-W166 HydrophobicContact CG2-CB 4.48Å; I32-W166 HydrophobicContact CG2-CD2 3.53Å; I32-W166 HydrophobicContact CG2-CE3 3.51Å; I32-W166 HydrophobicContact CG2-CG 4Å; I32-W166 HydrophobicContact CG2-CH2 4.33Å; I32-W166 HydrophobicContact CG2-CZ2 4.36Å; I32-W166 HydrophobicContact CG2-CZ3 3.92Å
33F97.1Very high95.5Very high4 Ų460 Ų602%0.01829%0.291CS..Hα-helixtrans-63.5-42.4171.5169-100.4000112.4M26 K30 G31 L35 T36 L37 L78 L79 S82 F83 P165 W166M26-F33 HydrophobicContact CE-CD1 3.65Å; M26-F33 HydrophobicContact CE-CD2 4.29Å; M26-F33 HydrophobicContact CE-CE1 3.82Å; M26-F33 HydrophobicContact CE-CE2 4.45Å; M26-F33 HydrophobicContact CE-CG 3.88Å; M26-F33 HydrophobicContact CE-CZ 4.22Å; K30-F33 WeakPolarHBondContact O-CB 3.43Å; K30-F33 PolarHBondContact O-N 3.21Å; G31-F33 VanDerWaalsContact C-N 3.26Å; G31-F33 PolarHBondContact O-N 3.43Å; F33-L35 VanDerWaalsContact C-N 3.31Å; F33-L35 PolarHBondContact O-N 3.22Å; F33-T36 VanDerWaalsContact O-CB 3.31Å; F33-T36 WeakPolarHBondContact O-CB 3.47Å; F33-T36 PolarHBondContact O-N 2.8Å; F33-T36 VanDerWaalsContact O-N 3.13Å; F33-L37 HydrophobicContact CD1-CD1 4.12Å; F33-L37 HydrophobicContact CE1-CD1 3.43Å; F33-L37 VanDerWaalsContact CE1-CD1 3.43Å; F33-L37 HydrophobicContact CE1-CG 4.16Å; F33-L37 HydrophobicContact CE2-CD1 4.37Å; F33-L37 HydrophobicContact CE2-CG 4.28Å; F33-L37 HydrophobicContact CZ-CD1 3.58Å; F33-L37 HydrophobicContact CZ-CD2 4.27Å; F33-L37 HydrophobicContact CZ-CG 3.96Å; F33-L37 PolarHBondContact O-N 2.96Å; F33-L78 HydrophobicContact CD2-CD1 4.48Å; F33-L78 HydrophobicContact CE2-CD1 4.13Å; F33-L78 HydrophobicContact CE2-CD2 4.4Å; F33-L78 HydrophobicContact CE2-CG 4.18Å; F33-L79 HydrophobicContact CZ-CD2 4.28Å; F33-S82 WeakPolarHBondContact CE2-OG 3.4Å; F33-F83 HydrophobicContact CE1-CE1 4.14Å; F33-F83 HydrophobicContact CE1-CZ 4.47Å; F33-F83 AromaticContact CZ-CE1 3.8Å; F33-F83 HydrophobicContact CZ-CE1 3.8Å; F33-F83 HydrophobicContact CZ-CZ 4.05Å; F33-P165 PolarHBondContact N-O 3.5Å; F33-W166 WeakPolarHBondContact CA-O 3.22Å
34Y97.4Very high95.8Very high135 Ų13552.8 Ų52.853%0.52927%0.265SS..Hα-helixtrans-66.1-34.9174.9-63.3-56.4000112.4K30 G31 T36 L37 F38K30-Y34 HydrophobicContact CB-CD2 4.37Å; K30-Y34 HydrophobicContact CB-CE2 3.81Å; K30-Y34 VanDerWaalsContact O-CD2 3.24Å; K30-Y34 WeakPolarHBondContact O-CD2 3.2Å; K30-Y34 PolarHBondContact O-N 3.5Å; G31-Y34 PolarHBondContact O-N 3.44Å; G31-Y34 VanDerWaalsContact O-N 3.15Å; Y34-T36 VanDerWaalsContact C-N 3.31Å; Y34-T36 PolarHBondContact O-N 2.92Å; Y34-L37 HydrophobicContact CD1-CD1 4.24Å; Y34-L37 PolarHBondContact O-N 3.2Å; Y34-F38 WeakPolarHBondContact O-CB 3.17Å; Y34-F38 PolarHBondContact O-N 2.91Å
35L96.3Very high95.8Very high79 Ų7954.8 Ų54.841%0.41428%0.28SS..Hα-helixtrans-61.3-41.4170.617961.9000111.4G31 I32 F33 L37 F38 L39 W166G31-L35 PolarHBondContact O-N 3.06Å; I32-L35 WeakPolarHBondContact O-CB 3.42Å; I32-L35 PolarHBondContact O-N 3.42Å; F33-L35 VanDerWaalsContact C-N 3.31Å; F33-L35 PolarHBondContact O-N 3.22Å; L35-L37 PolarHBondContact O-N 3.2Å; L35-F38 HydrophobicContact CD1-CD1 4.45Å; L35-F38 PolarHBondContact O-N 2.91Å; L35-L39 HydrophobicContact CD1-CD1 4.28Å; L35-L39 HydrophobicContact CD1-CG 4.18Å; L35-L39 HydrophobicContact CG-CD1 4.09Å; L35-L39 HydrophobicContact CG-CG 4.42Å; L35-L39 VanDerWaalsContact O-CG 3.3Å; L35-L39 WeakPolarHBondContact O-CG 3.48Å; L35-L39 PolarHBondContact O-N 2.88Å; L35-W166 HydrophobicContact CD2-CZ3 4.19Å
36T96.9Very high95.8Very high10 Ų1057.1 Ų57.16%0.06129%0.292CS..Hα-helixtrans-60.3-47176.3-520000111.4I32 F33 Y34 F38 L39 I40 L78 W166 F182I32-T36 PolarHBondContact O-N 3.34Å; I32-T36 PolarHBondContact O-OG1 3.46Å; F33-T36 VanDerWaalsContact O-CB 3.31Å; F33-T36 WeakPolarHBondContact O-CB 3.47Å; F33-T36 PolarHBondContact O-N 2.8Å; F33-T36 VanDerWaalsContact O-N 3.13Å; Y34-T36 VanDerWaalsContact C-N 3.31Å; Y34-T36 PolarHBondContact O-N 2.92Å; T36-F38 VanDerWaalsContact C-N 3.35Å; T36-F38 PolarHBondContact O-N 3.33Å; T36-L39 PolarHBondContact O-N 3.24Å; T36-I40 HydrophobicContact CG2-CD1 3.91Å; T36-I40 WeakPolarHBondContact O-CG1 3.37Å; T36-I40 PolarHBondContact O-N 3.46Å; T36-L78 HydrophobicContact CG2-CD2 4.31Å; T36-W166 PolarHBondContact OG1-O 3Å; T36-F182 HydrophobicContact CG2-CZ 4.39Å
37L98.1Very high95.7Very high31 Ų3156.8 Ų56.816%0.16229%0.291CS..Hα-helixtrans-60.4-45.3175.4-72.9174.6000111.7F33 Y34 L35 I40 I41 M75 L78F33-L37 HydrophobicContact CD1-CD1 4.12Å; F33-L37 HydrophobicContact CE1-CD1 3.43Å; F33-L37 VanDerWaalsContact CE1-CD1 3.43Å; F33-L37 HydrophobicContact CE1-CG 4.16Å; F33-L37 HydrophobicContact CE2-CD1 4.37Å; F33-L37 HydrophobicContact CE2-CG 4.28Å; F33-L37 HydrophobicContact CZ-CD1 3.58Å; F33-L37 HydrophobicContact CZ-CD2 4.27Å; F33-L37 HydrophobicContact CZ-CG 3.96Å; F33-L37 PolarHBondContact O-N 2.96Å; Y34-L37 HydrophobicContact CD1-CD1 4.24Å; Y34-L37 PolarHBondContact O-N 3.2Å; L35-L37 PolarHBondContact O-N 3.2Å; L37-I40 PolarHBondContact O-N 3.4Å; L37-I41 HydrophobicContact CB-CD1 4.44Å; L37-I41 VanDerWaalsContact O-CB 3.27Å; L37-I41 WeakPolarHBondContact O-CB 3.49Å; L37-I41 VanDerWaalsContact O-CG1 3.24Å; L37-I41 WeakPolarHBondContact O-CG1 3.17Å; L37-I41 PolarHBondContact O-N 3.4Å; L37-M75 HydrophobicContact CD2-CE 3.53Å; L37-M75 HydrophobicContact CD2-SD 4.48Å; L37-L78 HydrophobicContact CD2-CD2 3.77Å
38F97Very high95.8Very high144 Ų14459.7 Ų59.763%0.63230%0.303SS*.Hα-helixtrans-60-45.9178.4174-97.3000111.9Y34 L35 T36 G42Y34-F38 WeakPolarHBondContact O-CB 3.17Å; Y34-F38 PolarHBondContact O-N 2.91Å; L35-F38 HydrophobicContact CD1-CD1 4.45Å; L35-F38 PolarHBondContact O-N 2.91Å; T36-F38 VanDerWaalsContact C-N 3.35Å; T36-F38 PolarHBondContact O-N 3.33Å; F38-G42 WeakPolarHBondContact O-CA 3.33Å; F38-G42 PolarHBondContact O-N 2.74Å
39L95.4Very high95.8Very high65 Ų6554 Ų5434%0.3429%0.294SS..Hα-helixtrans-63.2-48.4178.8-69.6171.6000111.5L35 T36 T43L35-L39 HydrophobicContact CD1-CD1 4.28Å; L35-L39 HydrophobicContact CD1-CG 4.18Å; L35-L39 HydrophobicContact CG-CD1 4.09Å; L35-L39 HydrophobicContact CG-CG 4.42Å; L35-L39 VanDerWaalsContact O-CG 3.3Å; L35-L39 WeakPolarHBondContact O-CG 3.48Å; L35-L39 PolarHBondContact O-N 2.88Å; T36-L39 PolarHBondContact O-N 3.24Å; L39-T43 VanDerWaalsContact O-CB 3.29Å; L39-T43 WeakPolarHBondContact O-CB 3.26Å; L39-T43 PolarHBondContact O-N 3.39Å; L39-T43 PolarHBondContact O-OG1 3.39Å
40I97.4Very high95.8Very high12 Ų1251.9 Ų51.96%0.06228%0.283CS..Hα-helixtrans-65.1-50.3-178.5-64.2169.4000110.9T36 L37 C44 F71 V74 M75 L78 F182 L186T36-I40 HydrophobicContact CG2-CD1 3.91Å; T36-I40 WeakPolarHBondContact O-CG1 3.37Å; T36-I40 PolarHBondContact O-N 3.46Å; L37-I40 PolarHBondContact O-N 3.4Å; I40-C44 WeakPolarHBondContact O-CB 3.47Å; I40-C44 PolarHBondContact O-N 3.45Å; I40-C44 PolarHBondContact O-SG 3.45Å; I40-F71 HydrophobicContact CG2-CD2 4.25Å; I40-F71 HydrophobicContact CG2-CE2 4.09Å; I40-V74 HydrophobicContact CD1-CG1 4.37Å; I40-V74 HydrophobicContact CG2-CG1 4.42Å; I40-M75 HydrophobicContact CG2-SD 3.95Å; I40-L78 HydrophobicContact CD1-CD2 3.96Å; I40-F182 HydrophobicContact CD1-CE2 3.97Å; I40-F182 HydrophobicContact CD1-CZ 4.33Å; I40-L186 HydrophobicContact CD1-CD1 4.22Å; I40-L186 HydrophobicContact CD1-CD2 4.44Å; I40-L186 HydrophobicContact CG1-CD1 4.09Å
41I98Very high95.9Very high71 Ų7149.3 Ų49.336%0.36427%0.272SS..Hα-helixtrans-66.8-42.9-178.4-64.7169.2000110.2L37 S45 F71 M75L37-I41 HydrophobicContact CB-CD1 4.44Å; L37-I41 VanDerWaalsContact O-CB 3.27Å; L37-I41 WeakPolarHBondContact O-CB 3.49Å; L37-I41 VanDerWaalsContact O-CG1 3.24Å; L37-I41 WeakPolarHBondContact O-CG1 3.17Å; L37-I41 PolarHBondContact O-N 3.4Å; I41-S45 VanDerWaalsContact O-CB 3.24Å; I41-S45 WeakPolarHBondContact O-CB 3.35Å; I41-S45 PolarHBondContact O-N 3Å; I41-S45 PolarHBondContact O-OG 3.23Å; I41-F71 HydrophobicContact CG1-CE2 4.36Å; I41-F71 HydrophobicContact CG1-CZ 4.36Å; I41-M75 HydrophobicContact CD1-CE 4.38Å; I41-M75 HydrophobicContact CG1-CE 4.48Å
42G95.8Very high96Very high23 Ų2346.9 Ų46.924%0.23725%0.247CC..Hα-helixtrans-60.7-55.5179.200000111.7F38 C44 S45 L46F38-G42 WeakPolarHBondContact O-CA 3.33Å; F38-G42 PolarHBondContact O-N 2.74Å; G42-C44 VanDerWaalsContact C-N 3.35Å; G42-C44 PolarHBondContact O-N 3.3Å; G42-S45 PolarHBondContact O-N 3.28Å; G42-S45 VanDerWaalsContact O-N 3.16Å; G42-L46 WeakPolarHBondContact O-CG 3.42Å; G42-L46 PolarHBondContact O-N 2.94Å
43T95.3Very high95.9Very high25 Ų2546.9 Ų46.915%0.15325%0.251CS..Hα-helixtrans-58.6-44.8178.2-62.10000111.7L39 S45 L46 F47 I193 E225L39-T43 VanDerWaalsContact O-CB 3.29Å; L39-T43 WeakPolarHBondContact O-CB 3.26Å; L39-T43 PolarHBondContact O-N 3.39Å; L39-T43 PolarHBondContact O-OG1 3.39Å; T43-S45 PolarHBondContact O-N 2.95Å; T43-L46 PolarHBondContact O-N 3.02Å; T43-F47 PolarHBondContact O-N 3.45Å; T43-I193 HydrophobicContact CG2-CD1 4.3Å; T43-I193 HydrophobicContact CG2-CG2 4.31Å; T43-E225 HydrophobicContact CG2-CG 4.06Å
44C97.2Very high95.7Very high5 Ų547.7 Ų47.73%0.03425%0.254CS..Hα-helixtrans-65.9-38.2177.6-64.20000112.4I40 G42 F47 F48 F71I40-C44 WeakPolarHBondContact O-CB 3.47Å; I40-C44 PolarHBondContact O-N 3.45Å; I40-C44 PolarHBondContact O-SG 3.45Å; G42-C44 VanDerWaalsContact C-N 3.35Å; G42-C44 PolarHBondContact O-N 3.3Å; C44-F47 PolarHBondContact O-N 3.49Å; C44-F48 HydrophobicContact CB-CD2 4.32Å; C44-F48 HydrophobicContact CB-CE2 4.07Å; C44-F48 WeakPolarHBondContact O-CD2 3.49Å; C44-F48 WeakPolarHBondContact O-CG 3.49Å; C44-F48 PolarHBondContact O-N 3.41Å; C44-F71 HydrophobicContact CB-CD2 3.96Å; C44-F71 HydrophobicContact CB-CE2 4.24Å; C44-F71 VanDerWaalsContact SG-CD2 3.55Å
45S96.4Very high95.6Very high64 Ų6441.2 Ų41.245%0.44823%0.229SC..Hα-helixtrans-66.3-39179.7-58.90000111.7I41 G42 T43 F48 A49I41-S45 VanDerWaalsContact O-CB 3.24Å; I41-S45 WeakPolarHBondContact O-CB 3.35Å; I41-S45 PolarHBondContact O-N 3Å; I41-S45 PolarHBondContact O-OG 3.23Å; G42-S45 PolarHBondContact O-N 3.28Å; G42-S45 VanDerWaalsContact O-N 3.16Å; T43-S45 PolarHBondContact O-N 2.95Å; S45-F48 PolarHBondContact O-N 3.06Å; S45-A49 VanDerWaalsContact O-CB 3.23Å; S45-A49 WeakPolarHBondContact O-CB 3.47Å; S45-A49 PolarHBondContact O-N 2.88Å
46L94.2Very high95.7Very high48 Ų4838.8 Ų38.825%0.25122%0.22SC..Hα-helixtrans-61.4-53173.2-66.5174.8000110.2G42 T43 F48 A49 F50 L221 E225G42-L46 WeakPolarHBondContact O-CG 3.42Å; G42-L46 PolarHBondContact O-N 2.94Å; T43-L46 PolarHBondContact O-N 3.02Å; L46-F48 VanDerWaalsContact C-N 3.28Å; L46-F48 PolarHBondContact O-N 3.41Å; L46-A49 PolarHBondContact O-N 2.85Å; L46-F50 HydrophobicContact CB-CD2 4.43Å; L46-F50 HydrophobicContact CD2-CD2 4.12Å; L46-F50 HydrophobicContact CD2-CE2 3.66Å; L46-F50 WeakPolarHBondContact O-CD2 3.18Å; L46-F50 PolarHBondContact O-N 3.06Å; L46-L221 HydrophobicContact CD2-CD2 4.13Å; L46-E225 WeakPolarHBondContact CB-OE2 3.3Å
47F95.9Very high95.7Very high1 Ų144 Ų440%0.00425%0.251CS..Hα-helixtrans-51.8-43.2176.4-175.6-110.6000113.8T43 C44 E51 C52 L55 I63 A67 Y192 I193 F196 N197 E225T43-F47 PolarHBondContact O-N 3.45Å; C44-F47 PolarHBondContact O-N 3.49Å; F47-E51 WeakPolarHBondContact CA-OE2 3.49Å; F47-E51 HydrophobicContact CD2-CB 3.89Å; F47-E51 HydrophobicContact CD2-CG 4.3Å; F47-E51 HydrophobicContact CE2-CB 3.96Å; F47-E51 PolarHBondContact O-N 3.42Å; F47-C52 VanDerWaalsContact CD1-SG 3.56Å; F47-C52 WeakPolarHBondContact CE1-SG 3.3Å; F47-C52 PolarHBondContact O-N 2.85Å; F47-C52 PolarHBondContact O-SG 2.77Å; F47-L55 HydrophobicContact CE2-CD1 4.37Å; F47-L55 HydrophobicContact CZ-CD1 4.48Å; F47-I63 HydrophobicContact CZ-CG2 4.31Å; F47-A67 HydrophobicContact CD1-CB 4.34Å; F47-A67 HydrophobicContact CE1-CB 3.86Å; F47-Y192 HydrophobicContact CE1-CE1 4.26Å; F47-Y192 HydrophobicContact CZ-CE1 4.26Å; F47-I193 HydrophobicContact CB-CD1 4.49Å; F47-I193 HydrophobicContact CB-CG2 4.31Å; F47-I193 HydrophobicContact CD1-CG1 4.11Å; F47-I193 HydrophobicContact CD2-CB 4.46Å; F47-I193 HydrophobicContact CD2-CG1 4.35Å; F47-I193 HydrophobicContact CD2-CG2 3.9Å; F47-I193 HydrophobicContact CE1-CG1 4.44Å; F47-I193 HydrophobicContact CG-CG1 4.05Å; F47-I193 HydrophobicContact CG-CG2 4.16Å; F47-F196 HydrophobicContact CE2-CB 3.74Å; F47-F196 HydrophobicContact CZ-CB 3.83Å; F47-F196 HydrophobicContact CZ-CG 4.45Å; F47-N197 WeakPolarHBondContact CD2-OD1 3.37Å; F47-E225 PolarHBondContact N-OE2 3.49Å
48F96.6Very high95.5Very high60 Ų6047.7 Ų47.726%0.26327%0.268SS..Hα-helixtrans-72.8-31178.5-72.7-55000113.2C44 S45 L46 C52 P53 P64 A67 V68C44-F48 HydrophobicContact CB-CD2 4.32Å; C44-F48 HydrophobicContact CB-CE2 4.07Å; C44-F48 WeakPolarHBondContact O-CD2 3.49Å; C44-F48 WeakPolarHBondContact O-CG 3.49Å; C44-F48 PolarHBondContact O-N 3.41Å; S45-F48 PolarHBondContact O-N 3.06Å; L46-F48 VanDerWaalsContact C-N 3.28Å; L46-F48 PolarHBondContact O-N 3.41Å; F48-C52 HydrophobicContact CD1-CB 4.41Å; F48-P53 WeakPolarHBondContact O-CD 3.44Å; F48-P64 HydrophobicContact CE1-CB 4.44Å; F48-A67 HydrophobicContact CE1-CB 3.68Å; F48-A67 HydrophobicContact CZ-CB 3.77Å; F48-V68 HydrophobicContact CE1-CG2 3.7Å; F48-V68 HydrophobicContact CE2-CG2 4.41Å; F48-V68 HydrophobicContact CZ-CB 4.41Å; F48-V68 HydrophobicContact CZ-CG2 3.56Å
49A93.8Very high95.5Very high58 Ų5845.3 Ų45.348%0.47926%0.261SS..Hα-helixtrans-82.3-38.8-176.200000112.8S45 L46 P53S45-A49 VanDerWaalsContact O-CB 3.23Å; S45-A49 WeakPolarHBondContact O-CB 3.47Å; S45-A49 PolarHBondContact O-N 2.88Å; L46-A49 PolarHBondContact O-N 2.85Å; A49-P53 WeakPolarHBondContact O-CG 3.37Å
50F91.6Very high95.5Very high71 Ų7144.2 Ų44.231%0.31126%0.259SS..Hα-helixtrans-107.9-43.4-169.4-61-69.7000113.3L46 L221L46-F50 HydrophobicContact CB-CD2 4.43Å; L46-F50 HydrophobicContact CD2-CD2 4.12Å; L46-F50 HydrophobicContact CD2-CE2 3.66Å; L46-F50 WeakPolarHBondContact O-CD2 3.18Å; L46-F50 PolarHBondContact O-N 3.06Å; F50-L221 HydrophobicContact CE1-CD1 4.25Å; F50-L221 HydrophobicContact CE2-CD1 4.08Å; F50-L221 HydrophobicContact CZ-CD1 3.78Å
51E93.3Very high95.5Very high0 Ų048 Ų480%029%0.285CS..Hα-helixtrans-92.1-46.4-172.5-67.676.6-168.100111.9F47 P53 Y54 L55 N197 H200 T222F47-E51 WeakPolarHBondContact CA-OE2 3.49Å; F47-E51 HydrophobicContact CD2-CB 3.89Å; F47-E51 HydrophobicContact CD2-CG 4.3Å; F47-E51 HydrophobicContact CE2-CB 3.96Å; F47-E51 PolarHBondContact O-N 3.42Å; E51-P53 VanDerWaalsContact C-CD 3.48Å; E51-Y54 PolarHBondContact O-N 3.28Å; E51-L55 HydrophobicContact CB-CD1 4.08Å; E51-L55 WeakPolarHBondContact O-CB 3.25Å; E51-L55 WeakPolarHBondContact O-CG 3.2Å; E51-L55 PolarHBondContact O-N 3.45Å; E51-N197 WeakPolarHBondContact CG-OD1 3.5Å; E51-H200 HydrophobicContact CG-CB 4.19Å; E51-T222 WeakPolarHBondContact OE1-CB 3.49Å; E51-T222 WeakPolarHBondContact OE1-CG2 3.31Å; E51-T222 PolarHBondContact OE1-OG1 3.43Å
52C95.6Very high95.5Very high6 Ų646.3 Ų46.34%0.04128%0.281CS..Hα-helixtrans-56.3-40.4-177.5-75.90000114.6F47 F48 Y54 L55 A56 P64F47-C52 VanDerWaalsContact CD1-SG 3.56Å; F47-C52 WeakPolarHBondContact CE1-SG 3.3Å; F47-C52 PolarHBondContact O-N 2.85Å; F47-C52 PolarHBondContact O-SG 2.77Å; F48-C52 HydrophobicContact CD1-CB 4.41Å; C52-Y54 VanDerWaalsContact C-N 3.33Å; C52-Y54 PolarHBondContact O-N 3.38Å; C52-L55 PolarHBondContact O-N 3.41Å; C52-A56 WeakPolarHBondContact O-CB 3.42Å; C52-A56 PolarHBondContact O-N 2.64Å; C52-P64 HydrophobicContact CB-CB 4.22Å
53P95.3Very high95.6Very high72 Ų7245.6 Ų45.647%0.46827%0.272SS..Hα-helixtrans-60.9-41.4178.4-24.935.8000112.6F48 A49 E51 V57F48-P53 WeakPolarHBondContact O-CD 3.44Å; A49-P53 WeakPolarHBondContact O-CG 3.37Å; E51-P53 VanDerWaalsContact C-CD 3.48Å; P53-V57 WeakPolarHBondContact O-CG2 3.45Å
54Y93.2Very high95.7Very high21 Ų2145.8 Ų45.88%0.08227%0.273CS..Hα-helixtrans-70.8-50.1177-178.6-89.4000110.9E51 C52 A56 V57 H58 H200 M203 R204 D207E51-Y54 PolarHBondContact O-N 3.28Å; C52-Y54 VanDerWaalsContact C-N 3.33Å; C52-Y54 PolarHBondContact O-N 3.38Å; Y54-A56 VanDerWaalsContact C-N 3.31Å; Y54-A56 PolarHBondContact O-N 3.32Å; Y54-V57 PolarHBondContact O-N 2.6Å; Y54-H58 AromaticContact CD2-CD2 3.44Å; Y54-H58 VanDerWaalsContact CD2-CD2 3.44Å; Y54-H58 WeakPolarHBondContact CD2-CD2 3.36Å; Y54-H58 AromaticContact CD2-NE2 3.81Å; Y54-H58 HydrophobicContact CE1-CB 4.26Å; Y54-H58 AromaticContact CE2-CD2 3.41Å; Y54-H58 VanDerWaalsContact CE2-CD2 3.41Å; Y54-H58 WeakPolarHBondContact CE2-CD2 3.49Å; Y54-H58 AromaticContact CE2-NE2 3.61Å; Y54-H58 AromaticContact CG-CD2 3.83Å; Y54-H58 AromaticContact CZ-CD2 3.77Å; Y54-H58 WeakPolarHBondContact O-CB 3.3Å; Y54-H58 PolarHBondContact O-CD2 3.47Å; Y54-H58 VanDerWaalsContact O-CD2 3.27Å; Y54-H58 PolarHBondContact O-N 3.18Å; Y54-H200 AromaticContact CD1-CD2 3.55Å; Y54-H200 AromaticContact CG-CD2 3.88Å; Y54-M203 HydrophobicContact CE1-CB 3.88Å; Y54-M203 HydrophobicContact CE1-CE 3.99Å; Y54-M203 HydrophobicContact CE1-SD 4.21Å; Y54-R204 VanDerWaalsContact CD2-CZ 3.46Å; Y54-R204 VanDerWaalsContact CD2-NH2 3.33Å; Y54-R204 HydrophobicContact CE2-CG 4.35Å; Y54-D207 PolarHBondContact OH-OD2 3.45Å
55L95.2Very high95.7Very high0 Ų049.6 Ų49.60%030%0.296CS..Hα-helixtrans-64.9-33-177.5-67.7173.1000112.9F47 E51 C52 V57 L59 S60 I63 F196 V199 H200F47-L55 HydrophobicContact CE2-CD1 4.37Å; F47-L55 HydrophobicContact CZ-CD1 4.48Å; E51-L55 HydrophobicContact CB-CD1 4.08Å; E51-L55 WeakPolarHBondContact O-CB 3.25Å; E51-L55 WeakPolarHBondContact O-CG 3.2Å; E51-L55 PolarHBondContact O-N 3.45Å; C52-L55 PolarHBondContact O-N 3.41Å; L55-V57 VanDerWaalsContact C-N 3.34Å; L55-L59 WeakPolarHBondContact O-CA 2.87Å; L55-L59 WeakPolarHBondContact O-CB 3.45Å; L55-L59 PolarHBondContact O-N 3.25Å; L55-S60 PolarHBondContact O-N 3.2Å; L55-I63 HydrophobicContact CB-CD1 4.03Å; L55-I63 HydrophobicContact CD1-CG2 4.48Å; L55-F196 HydrophobicContact CD1-CB 3.82Å; L55-F196 HydrophobicContact CD1-CD1 4.01Å; L55-F196 HydrophobicContact CD1-CG 4.27Å; L55-V199 HydrophobicContact CD2-CG1 4.09Å; L55-H200 HydrophobicContact CD1-CB 4.46Å; L55-H200 HydrophobicContact CD2-CB 4.28Å; L55-H200 HydrophobicContact CG-CB 4.45Å
56A97.3Very high95.8Very high28 Ų2852.3 Ų52.323%0.23130%0.3CS..Hα-helixtrans-66.3-37.3177.700000112.4C52 Y54 S60 P64C52-A56 WeakPolarHBondContact O-CB 3.42Å; C52-A56 PolarHBondContact O-N 2.64Å; Y54-A56 VanDerWaalsContact C-N 3.31Å; Y54-A56 PolarHBondContact O-N 3.32Å; A56-S60 WeakPolarHBondContact CA-O 3.23Å; A56-S60 CarbonylContact O-C 3.51Å; A56-P64 HydrophobicContact CB-CG 4.27Å
57V96.8Very high95.9Very high118 Ų11850.1 Ų50.172%0.71529%0.289SS*.Hα-helixtrans-80.5-44.1180174.90000111.3P53 Y54 L55P53-V57 WeakPolarHBondContact O-CG2 3.45Å; Y54-V57 PolarHBondContact O-N 2.6Å; L55-V57 VanDerWaalsContact C-N 3.34Å
58H94.7Very high96Very high109 Ų10953 Ų5351%0.50531%0.306SS..Hα-helixtrans-92.8-17.9-170.6-69.1-77.5000114.6Y54 M203Y54-H58 AromaticContact CD2-CD2 3.44Å; Y54-H58 VanDerWaalsContact CD2-CD2 3.44Å; Y54-H58 WeakPolarHBondContact CD2-CD2 3.36Å; Y54-H58 AromaticContact CD2-NE2 3.81Å; Y54-H58 HydrophobicContact CE1-CB 4.26Å; Y54-H58 AromaticContact CE2-CD2 3.41Å; Y54-H58 VanDerWaalsContact CE2-CD2 3.41Å; Y54-H58 WeakPolarHBondContact CE2-CD2 3.49Å; Y54-H58 AromaticContact CE2-NE2 3.61Å; Y54-H58 AromaticContact CG-CD2 3.83Å; Y54-H58 AromaticContact CZ-CD2 3.77Å; Y54-H58 WeakPolarHBondContact O-CB 3.3Å; Y54-H58 PolarHBondContact O-CD2 3.47Å; Y54-H58 VanDerWaalsContact O-CD2 3.27Å; Y54-H58 PolarHBondContact O-N 3.18Å; H58-M203 HydrophobicContact CB-CE 3.86Å
59L95.8Very high96.1Very high95 Ų9555 Ų5550%0.49732%0.319SS..THydrogen-bonded Turntrans-126.4-61.9-177.2-171.958.7000112.7L55 I63 F196 V199L55-L59 WeakPolarHBondContact O-CA 2.87Å; L55-L59 WeakPolarHBondContact O-CB 3.45Å; L55-L59 PolarHBondContact O-N 3.25Å; L59-I63 HydrophobicContact CB-CD1 3.92Å; L59-I63 HydrophobicContact CD2-CD1 3.69Å; L59-I63 HydrophobicContact CG-CD1 3.86Å; L59-F196 HydrophobicContact CD2-CD1 4.45Å; L59-F196 HydrophobicContact CD2-CE1 3.89Å; L59-V199 HydrophobicContact CD2-CG1 4.16Å
60S97.3Very high96.3Very high41 Ų4154.4 Ų54.429%0.28731%0.308SS..  trans-170.3135.6176.6-177.50000112.9L55 A56 A62 I63L55-S60 PolarHBondContact O-N 3.2Å; A56-S60 WeakPolarHBondContact CA-O 3.23Å; A56-S60 CarbonylContact O-C 3.51Å; S60-A62 PolarHBondContact O-N 3.38Å; S60-A62 VanDerWaalsContact O-N 3.14Å; S60-A62 WeakPolarHBondContact OG-CB 3.13Å; S60-A62 PolarHBondContact OG-N 3.37Å; S60-A62 VanDerWaalsContact OG-N 3.17Å; S60-I63 WeakPolarHBondContact O-CG1 3.37Å; S60-I63 PolarHBondContact O-N 3.28Å
61P96.6Very high96.7Very high93 Ų9353.1 Ų53.160%0.60430%0.302SS*.THydrogen-bonded Turntrans-67.3-11.1171.929.7-36000113.1I63 P64P61-I63 PolarHBondContact O-N 2.89Å; P61-P64 WeakPolarHBondContact O-CD 3.25Å; P61-P64 WeakPolarHBondContact O-CG 3.44Å
62A97.3Very high96.9Very high35 Ų3557.9 Ų57.929%0.28933%0.327SS..Hα-helixtrans-69.6-22.4175.200000112.9S60 V65 F66S60-A62 PolarHBondContact O-N 3.38Å; S60-A62 VanDerWaalsContact O-N 3.14Å; S60-A62 WeakPolarHBondContact OG-CB 3.13Å; S60-A62 PolarHBondContact OG-N 3.37Å; S60-A62 VanDerWaalsContact OG-N 3.17Å; A62-V65 WeakPolarHBondContact O-CB 3.49Å; A62-V65 PolarHBondContact O-N 2.73Å; A62-F66 HydrophobicContact CB-CD2 4.16Å; A62-F66 HydrophobicContact CB-CE2 4.03Å; A62-F66 WeakPolarHBondContact O-CD2 3.15Å; A62-F66 PolarHBondContact O-N 3.46Å
63I97.5Very high97.1Very high8 Ų861.9 Ų61.94%0.04134%0.344CS..Hα-helixtrans-58.6-58.5-177.8-65.4165.8000111.8F47 L55 L59 S60 P61 V65 F66 A67 Y192 F196F47-I63 HydrophobicContact CZ-CG2 4.31Å; L55-I63 HydrophobicContact CB-CD1 4.03Å; L55-I63 HydrophobicContact CD1-CG2 4.48Å; L59-I63 HydrophobicContact CB-CD1 3.92Å; L59-I63 HydrophobicContact CD2-CD1 3.69Å; L59-I63 HydrophobicContact CG-CD1 3.86Å; S60-I63 WeakPolarHBondContact O-CG1 3.37Å; S60-I63 PolarHBondContact O-N 3.28Å; P61-I63 PolarHBondContact O-N 2.89Å; I63-V65 PolarHBondContact O-N 3.16Å; I63-F66 PolarHBondContact O-N 2.83Å; I63-A67 PolarHBondContact O-N 2.85Å; I63-Y192 VanDerWaalsContact CA-OH 3.24Å; I63-Y192 WeakPolarHBondContact CA-OH 3.43Å; I63-Y192 HydrophobicContact CG2-CE1 4.33Å; I63-Y192 WeakPolarHBondContact CG2-OH 3.49Å; I63-Y192 PolarHBondContact O-OH 2.86Å; I63-F196 HydrophobicContact CD1-CD1 4.05Å; I63-F196 HydrophobicContact CD1-CE1 3.53Å; I63-F196 HydrophobicContact CD1-CZ 4.17Å; I63-F196 HydrophobicContact CG1-CD1 4.49Å; I63-F196 HydrophobicContact CG1-CE1 3.83Å; I63-F196 HydrophobicContact CG1-CZ 3.95Å; I63-F196 HydrophobicContact CG2-CD1 4.2Å; I63-F196 HydrophobicContact CG2-CD2 4.37Å; I63-F196 HydrophobicContact CG2-CE1 4.27Å; I63-F196 HydrophobicContact CG2-CE2 4.47Å; I63-F196 HydrophobicContact CG2-CG 4.26Å; I63-F196 HydrophobicContact CG2-CZ 4.41Å
64P97.3Very high97.3Very high29 Ų2958.4 Ų58.419%0.18832%0.321CS..Hα-helixtrans-61.7-3117723-34.3000112.7F48 C52 A56 P61 A67 V68F48-P64 HydrophobicContact CE1-CB 4.44Å; C52-P64 HydrophobicContact CB-CB 4.22Å; A56-P64 HydrophobicContact CB-CG 4.27Å; P61-P64 WeakPolarHBondContact O-CD 3.25Å; P61-P64 WeakPolarHBondContact O-CG 3.44Å; P64-A67 PolarHBondContact O-N 3.02Å; P64-V68 VanDerWaalsContact O-CG2 3.3Å; P64-V68 WeakPolarHBondContact O-CG2 3.17Å; P64-V68 PolarHBondContact O-N 3.23Å
65V97.8Very high97.5Very high85 Ų8558.7 Ų58.752%0.51532%0.324SS..Hα-helixtrans-63.5-50.1177.7177.30000111.1A62 I63 A67 V68 L69A62-V65 WeakPolarHBondContact O-CB 3.49Å; A62-V65 PolarHBondContact O-N 2.73Å; I63-V65 PolarHBondContact O-N 3.16Å; V65-A67 VanDerWaalsContact C-N 3.34Å; V65-A67 PolarHBondContact O-N 3.19Å; V65-V68 PolarHBondContact O-N 3.29Å; V65-L69 HydrophobicContact CG1-CD1 4.4Å; V65-L69 WeakPolarHBondContact O-CG 3.43Å; V65-L69 PolarHBondContact O-N 3.28Å; V65-L69 VanDerWaalsContact O-N 3.09Å
66F98Very high97.7Very high121 Ų12160.7 Ų60.753%0.53134%0.341SS..Hα-helixtrans-64.5-39.1177.3-76.9-64.6000112.2A62 I63 V68 L69 L70 Y192A62-F66 HydrophobicContact CB-CD2 4.16Å; A62-F66 HydrophobicContact CB-CE2 4.03Å; A62-F66 WeakPolarHBondContact O-CD2 3.15Å; A62-F66 PolarHBondContact O-N 3.46Å; I63-F66 PolarHBondContact O-N 2.83Å; F66-V68 PolarHBondContact O-N 2.84Å; F66-L69 PolarHBondContact O-N 3.16Å; F66-L70 WeakPolarHBondContact O-CB 3.31Å; F66-L70 WeakPolarHBondContact O-CG 2.96Å; F66-L70 PolarHBondContact O-N 2.87Å; F66-Y192 HydrophobicContact CB-CE2 4.33Å
67A97.8Very high97.7Very high1 Ų160.5 Ų60.51%0.00834%0.335CS..Hα-helixtrans-60.7-43.3175.700000112.1F47 F48 I63 P64 V65 L70 F71 Y192F47-A67 HydrophobicContact CD1-CB 4.34Å; F47-A67 HydrophobicContact CE1-CB 3.86Å; F48-A67 HydrophobicContact CE1-CB 3.68Å; F48-A67 HydrophobicContact CZ-CB 3.77Å; I63-A67 PolarHBondContact O-N 2.85Å; P64-A67 PolarHBondContact O-N 3.02Å; V65-A67 VanDerWaalsContact C-N 3.34Å; V65-A67 PolarHBondContact O-N 3.19Å; A67-L70 PolarHBondContact O-N 2.86Å; A67-F71 VanDerWaalsContact O-CB 3.29Å; A67-F71 WeakPolarHBondContact O-CB 3.36Å; A67-F71 PolarHBondContact O-N 2.86Å; A67-Y192 HydrophobicContact CB-CD1 4.43Å; A67-Y192 HydrophobicContact CB-CE1 3.89Å
68V98.4Very high97.8Very high61 Ų6154.9 Ų54.937%0.3730%0.301SS..Hα-helixtrans-62.6-45.5176.1168.40000111.1F48 P64 V65 F66 L70 F71 L72F48-V68 HydrophobicContact CE1-CG2 3.7Å; F48-V68 HydrophobicContact CE2-CG2 4.41Å; F48-V68 HydrophobicContact CZ-CB 4.41Å; F48-V68 HydrophobicContact CZ-CG2 3.56Å; P64-V68 VanDerWaalsContact O-CG2 3.3Å; P64-V68 WeakPolarHBondContact O-CG2 3.17Å; P64-V68 PolarHBondContact O-N 3.23Å; V65-V68 PolarHBondContact O-N 3.29Å; F66-V68 PolarHBondContact O-N 2.84Å; V68-L70 PolarHBondContact O-N 2.83Å; V68-F71 PolarHBondContact O-N 3.46Å; V68-L72 HydrophobicContact CG1-CD1 3.88Å; V68-L72 HydrophobicContact CG1-CG 4.26Å; V68-L72 WeakPolarHBondContact O-CB 3.5Å; V68-L72 VanDerWaalsContact O-CG 3.27Å; V68-L72 WeakPolarHBondContact O-CG 3.4Å; V68-L72 PolarHBondContact O-N 3.42Å
69L98.4Very high98Very high103 Ų10352.5 Ų52.554%0.53929%0.292SS..Hα-helixtrans-61.3-45179.1-68.6175.3000111.8V65 F66 F73V65-L69 HydrophobicContact CG1-CD1 4.4Å; V65-L69 WeakPolarHBondContact O-CG 3.43Å; V65-L69 PolarHBondContact O-N 3.28Å; V65-L69 VanDerWaalsContact O-N 3.09Å; F66-L69 PolarHBondContact O-N 3.16Å; L69-F73 WeakPolarHBondContact O-CB 3.46Å; L69-F73 PolarHBondContact O-N 3.34Å
70L98.3Very high98.1Very high46 Ų4654.2 Ų54.224%0.24129%0.291CS..Hα-helixtrans-63.6-46.2176-74.7174000111.6F66 A67 V68 L72 F73 V74 L189 Y192F66-L70 WeakPolarHBondContact O-CB 3.31Å; F66-L70 WeakPolarHBondContact O-CG 2.96Å; F66-L70 PolarHBondContact O-N 2.87Å; A67-L70 PolarHBondContact O-N 2.86Å; V68-L70 PolarHBondContact O-N 2.83Å; L70-L72 PolarHBondContact O-N 3.39Å; L70-F73 PolarHBondContact O-N 2.92Å; L70-V74 WeakPolarHBondContact O-CG2 3.44Å; L70-V74 PolarHBondContact O-N 3.35Å; L70-L189 HydrophobicContact CB-CD1 3.97Å; L70-Y192 HydrophobicContact CD1-CD2 4.27Å; L70-Y192 HydrophobicContact CD1-CG 4.3Å
71F98.6Very high98.1Very high43 Ų4352.2 Ų52.219%0.18928%0.278CS..Hα-helixtrans-57.2-49.6177.3168.9-103.7000111.9I40 I41 C44 A67 V68 F73 V74 M75I40-F71 HydrophobicContact CG2-CD2 4.25Å; I40-F71 HydrophobicContact CG2-CE2 4.09Å; I41-F71 HydrophobicContact CG1-CE2 4.36Å; I41-F71 HydrophobicContact CG1-CZ 4.36Å; C44-F71 HydrophobicContact CB-CD2 3.96Å; C44-F71 HydrophobicContact CB-CE2 4.24Å; C44-F71 VanDerWaalsContact SG-CD2 3.55Å; A67-F71 VanDerWaalsContact O-CB 3.29Å; A67-F71 WeakPolarHBondContact O-CB 3.36Å; A67-F71 PolarHBondContact O-N 2.86Å; V68-F71 PolarHBondContact O-N 3.46Å; F71-F73 VanDerWaalsContact C-N 3.29Å; F71-F73 PolarHBondContact O-N 3.3Å; F71-V74 PolarHBondContact O-N 2.74Å; F71-M75 HydrophobicContact CD1-CG 4.48Å; F71-M75 HydrophobicContact CD2-CG 4.01Å; F71-M75 HydrophobicContact CE1-CG 4.09Å; F71-M75 HydrophobicContact CE2-CG 3.59Å; F71-M75 HydrophobicContact CE2-SD 3.96Å; F71-M75 HydrophobicContact CG-CG 4.45Å; F71-M75 HydrophobicContact CZ-CG 3.63Å; F71-M75 HydrophobicContact CZ-SD 4.26Å; F71-M75 WeakPolarHBondContact O-CB 3.41Å; F71-M75 VanDerWaalsContact O-CG 3.29Å; F71-M75 WeakPolarHBondContact O-CG 3.16Å; F71-M75 PolarHBondContact O-N 3.34Å
72L98.7Very high98.2Very high100 Ų10047.8 Ų47.852%0.52425%0.249SC..Hα-helixtrans-61.5-39.4179.1-68.9176.6000111.7V68 L70 A76V68-L72 HydrophobicContact CG1-CD1 3.88Å; V68-L72 HydrophobicContact CG1-CG 4.26Å; V68-L72 WeakPolarHBondContact O-CB 3.5Å; V68-L72 VanDerWaalsContact O-CG 3.27Å; V68-L72 WeakPolarHBondContact O-CG 3.4Å; V68-L72 PolarHBondContact O-N 3.42Å; L70-L72 PolarHBondContact O-N 3.39Å; L72-A76 WeakPolarHBondContact O-CB 3.26Å; L72-A76 PolarHBondContact O-N 2.77Å
73F98.7Very high98.2Very high90 Ų9049.1 Ų49.140%0.39525%0.248SC..Hα-helixtrans-66.4-45.3176.4-169.6-90.8000112.2L69 L70 F71 M75 A76 M77 T185L69-F73 WeakPolarHBondContact O-CB 3.46Å; L69-F73 PolarHBondContact O-N 3.34Å; L70-F73 PolarHBondContact O-N 2.92Å; F71-F73 VanDerWaalsContact C-N 3.29Å; F71-F73 PolarHBondContact O-N 3.3Å; F73-M75 VanDerWaalsContact C-N 3.35Å; F73-M75 PolarHBondContact O-N 2.86Å; F73-A76 PolarHBondContact O-N 2.59Å; F73-M77 HydrophobicContact CD1-CG 3.93Å; F73-M77 HydrophobicContact CE1-CG 3.53Å; F73-M77 HydrophobicContact CE1-SD 4.26Å; F73-M77 HydrophobicContact CE2-CE 4.29Å; F73-M77 HydrophobicContact CZ-CE 4.25Å; F73-M77 HydrophobicContact CZ-CG 3.95Å; F73-M77 HydrophobicContact CZ-SD 4.09Å; F73-M77 WeakPolarHBondContact O-CG 3.47Å; F73-M77 PolarHBondContact O-N 3.15Å; F73-T185 HydrophobicContact CD1-CG2 3.49Å; F73-T185 VanDerWaalsContact CD1-CG2 3.49Å; F73-T185 HydrophobicContact CE1-CG2 3.42Å; F73-T185 VanDerWaalsContact CE1-CG2 3.42Å
74V98.7Very high98.1Very high0 Ų050 Ų500%026%0.255CS..Hα-helixtrans-57.4-48.3175.3167.90000110.6I40 L70 F71 A76 M77 L78 F182 T185 L186 L189I40-V74 HydrophobicContact CD1-CG1 4.37Å; I40-V74 HydrophobicContact CG2-CG1 4.42Å; L70-V74 WeakPolarHBondContact O-CG2 3.44Å; L70-V74 PolarHBondContact O-N 3.35Å; F71-V74 PolarHBondContact O-N 2.74Å; V74-A76 PolarHBondContact O-N 2.9Å; V74-M77 PolarHBondContact O-N 3.34Å; V74-L78 WeakPolarHBondContact O-CB 3.42Å; V74-L78 PolarHBondContact O-N 2.59Å; V74-F182 HydrophobicContact CG1-CD2 4.15Å; V74-F182 HydrophobicContact CG1-CE2 4.1Å; V74-T185 VanDerWaalsContact CG2-C 3.47Å; V74-T185 WeakPolarHBondContact CG2-O 3.25Å; V74-L186 HydrophobicContact CG1-CB 4.33Å; V74-L186 HydrophobicContact CG1-CD1 4.16Å; V74-L189 HydrophobicContact CB-CD2 4.3Å; V74-L189 HydrophobicContact CG1-CD2 4.46Å; V74-L189 HydrophobicContact CG2-CB 4.21Å; V74-L189 HydrophobicContact CG2-CD2 3.96Å
75M98.6Very high98.1Very high26 Ų2648.7 Ų48.713%0.12825%0.247CC..Hα-helixtrans-62-43177.9-69.2-57.7-62.700111.5L37 I40 I41 F71 F73 M77 L78 L79L37-M75 HydrophobicContact CD2-CE 3.53Å; L37-M75 HydrophobicContact CD2-SD 4.48Å; I40-M75 HydrophobicContact CG2-SD 3.95Å; I41-M75 HydrophobicContact CD1-CE 4.38Å; I41-M75 HydrophobicContact CG1-CE 4.48Å; F71-M75 HydrophobicContact CD1-CG 4.48Å; F71-M75 HydrophobicContact CD2-CG 4.01Å; F71-M75 HydrophobicContact CE1-CG 4.09Å; F71-M75 HydrophobicContact CE2-CG 3.59Å; F71-M75 HydrophobicContact CE2-SD 3.96Å; F71-M75 HydrophobicContact CG-CG 4.45Å; F71-M75 HydrophobicContact CZ-CG 3.63Å; F71-M75 HydrophobicContact CZ-SD 4.26Å; F71-M75 WeakPolarHBondContact O-CB 3.41Å; F71-M75 VanDerWaalsContact O-CG 3.29Å; F71-M75 WeakPolarHBondContact O-CG 3.16Å; F71-M75 PolarHBondContact O-N 3.34Å; F73-M75 VanDerWaalsContact C-N 3.35Å; F73-M75 PolarHBondContact O-N 2.86Å; M75-M77 PolarHBondContact O-N 3.09Å; M75-L78 PolarHBondContact O-N 3.15Å; M75-L79 WeakPolarHBondContact O-CB 3.5Å; M75-L79 WeakPolarHBondContact O-CG 3.45Å; M75-L79 PolarHBondContact O-N 3.33Å
76A98.6Very high98.1Very high43 Ų4344.7 Ų44.736%0.35522%0.222SC..Hα-helixtrans-60.2-45.2176.100000111.8L72 F73 V74 R80L72-A76 WeakPolarHBondContact O-CB 3.26Å; L72-A76 PolarHBondContact O-N 2.77Å; F73-A76 PolarHBondContact O-N 2.59Å; V74-A76 PolarHBondContact O-N 2.9Å; A76-R80 VanDerWaalsContact O-CB 3.27Å; A76-R80 WeakPolarHBondContact O-CB 3.47Å; A76-R80 WeakPolarHBondContact O-CG 3.39Å; A76-R80 PolarHBondContact O-N 3.07Å
77M98.6Very high98Very high23 Ų2339.2 Ų39.211%0.11320%0.2CC..Hα-helixtrans-68.6-40179.6-66.3-55.5101.900112.6F73 V74 M75 R80 T81 Y178 L181 F182F73-M77 HydrophobicContact CD1-CG 3.93Å; F73-M77 HydrophobicContact CE1-CG 3.53Å; F73-M77 HydrophobicContact CE1-SD 4.26Å; F73-M77 HydrophobicContact CE2-CE 4.29Å; F73-M77 HydrophobicContact CZ-CE 4.25Å; F73-M77 HydrophobicContact CZ-CG 3.95Å; F73-M77 HydrophobicContact CZ-SD 4.09Å; F73-M77 WeakPolarHBondContact O-CG 3.47Å; F73-M77 PolarHBondContact O-N 3.15Å; V74-M77 PolarHBondContact O-N 3.34Å; M75-M77 PolarHBondContact O-N 3.09Å; M77-R80 PolarHBondContact O-N 3.05Å; M77-T81 WeakPolarHBondContact O-CB 3.31Å; M77-T81 PolarHBondContact O-N 3.21Å; M77-T81 PolarHBondContact O-OG1 2.94Å; M77-Y178 HydrophobicContact SD-CD1 4Å; M77-L181 HydrophobicContact CG-CB 3.93Å; M77-L181 HydrophobicContact SD-CB 3.86Å; M77-L181 HydrophobicContact SD-CD1 3.97Å; M77-F182 HydrophobicContact CB-CB 3.72Å
78L98.6Very high98Very high0 Ų039.2 Ų39.20%020%0.2CC..Hα-helixtrans-58.5-56.1173.7174.658.2000110.4F33 T36 L37 I40 V74 M75 R80 T81 S82 V167 F182F33-L78 HydrophobicContact CD2-CD1 4.48Å; F33-L78 HydrophobicContact CE2-CD1 4.13Å; F33-L78 HydrophobicContact CE2-CD2 4.4Å; F33-L78 HydrophobicContact CE2-CG 4.18Å; T36-L78 HydrophobicContact CG2-CD2 4.31Å; L37-L78 HydrophobicContact CD2-CD2 3.77Å; I40-L78 HydrophobicContact CD1-CD2 3.96Å; V74-L78 WeakPolarHBondContact O-CB 3.42Å; V74-L78 PolarHBondContact O-N 2.59Å; M75-L78 PolarHBondContact O-N 3.15Å; L78-R80 VanDerWaalsContact C-N 3.3Å; L78-R80 PolarHBondContact O-N 2.73Å; L78-T81 WeakPolarHBondContact O-CB 3.19Å; L78-T81 PolarHBondContact O-N 2.99Å; L78-S82 WeakPolarHBondContact O-CB 3.31Å; L78-S82 PolarHBondContact O-N 2.87Å; L78-S82 PolarHBondContact O-OG 2.93Å; L78-S82 VanDerWaalsContact O-OG 3.08Å; L78-V167 HydrophobicContact CD1-CB 4.49Å; L78-V167 HydrophobicContact CD1-CG1 4.24Å; L78-F182 HydrophobicContact CB-CD2 3.68Å; L78-F182 HydrophobicContact CB-CE2 3.78Å; L78-F182 HydrophobicContact CB-CG 4.35Å; L78-F182 HydrophobicContact CD1-CD2 4.39Å; L78-F182 HydrophobicContact CD1-CE1 4.18Å; L78-F182 HydrophobicContact CD1-CE2 3.99Å; L78-F182 HydrophobicContact CD1-CZ 3.87Å; L78-F182 HydrophobicContact CD2-CE2 4.3Å; L78-F182 HydrophobicContact CG-CE2 4.22Å
79L98.1Very high98Very high60 Ų6037.3 Ų37.331%0.31419%0.188SC..Hα-helixtrans-63.4-37.5-176.9-61.8173.1000111.5F33 M75 T81 S82 F83F33-L79 HydrophobicContact CZ-CD2 4.28Å; M75-L79 WeakPolarHBondContact O-CB 3.5Å; M75-L79 WeakPolarHBondContact O-CG 3.45Å; M75-L79 PolarHBondContact O-N 3.33Å; L79-T81 VanDerWaalsContact C-N 3.33Å; L79-T81 PolarHBondContact O-N 2.85Å; L79-S82 PolarHBondContact O-N 2.81Å; L79-F83 HydrophobicContact CB-CD2 4.12Å; L79-F83 HydrophobicContact CB-CE2 4.04Å; L79-F83 HydrophobicContact CD2-CD2 4.34Å; L79-F83 HydrophobicContact CD2-CE1 4.39Å; L79-F83 HydrophobicContact CD2-CE2 3.47Å; L79-F83 VanDerWaalsContact CD2-CE2 3.47Å; L79-F83 HydrophobicContact CD2-CZ 3.49Å; L79-F83 VanDerWaalsContact CD2-CZ 3.49Å; L79-F83 HydrophobicContact CG-CE2 4.23Å; L79-F83 VanDerWaalsContact O-CB 3.26Å; L79-F83 WeakPolarHBondContact O-CB 3.48Å; L79-F83 WeakPolarHBondContact O-CG 3.46Å; L79-F83 PolarHBondContact O-N 3.32Å
80R97.6Very high97.8Very high130 Ų13035.7 Ų35.749%0.49118%0.183SC..Hα-helixtrans-63.6-38.7173.7-73.1-73.7-78.9-147.4-6.5112A76 M77 L78 S84 Y178A76-R80 VanDerWaalsContact O-CB 3.27Å; A76-R80 WeakPolarHBondContact O-CB 3.47Å; A76-R80 WeakPolarHBondContact O-CG 3.39Å; A76-R80 PolarHBondContact O-N 3.07Å; M77-R80 PolarHBondContact O-N 3.05Å; L78-R80 VanDerWaalsContact C-N 3.3Å; L78-R80 PolarHBondContact O-N 2.73Å; R80-S84 WeakPolarHBondContact O-CB 3.3Å; R80-S84 PolarHBondContact O-OG 3.14Å; R80-Y178 HydrophobicContact CB-CD1 4.27Å; R80-Y178 HydrophobicContact CB-CD2 4.26Å; R80-Y178 HydrophobicContact CB-CG 4.02Å; R80-Y178 PolarHBondContact NH2-OH 2.93Å
81T98Very high97.7Very high0 Ų036.7 Ų36.70%018%0.184CC..Hα-helixtrans-67.9-49176-57.10000111.3M77 L78 L79 V167 N175 Y178 F179M77-T81 WeakPolarHBondContact O-CB 3.31Å; M77-T81 PolarHBondContact O-N 3.21Å; M77-T81 PolarHBondContact O-OG1 2.94Å; L78-T81 WeakPolarHBondContact O-CB 3.19Å; L78-T81 PolarHBondContact O-N 2.99Å; L79-T81 VanDerWaalsContact C-N 3.33Å; L79-T81 PolarHBondContact O-N 2.85Å; T81-V167 HydrophobicContact CG2-CB 4.17Å; T81-V167 HydrophobicContact CG2-CG1 4.12Å; T81-V167 HydrophobicContact CG2-CG2 4.16Å; T81-N175 PolarHBondContact O-ND2 3.24Å; T81-N175 VanDerWaalsContact O-ND2 3.1Å; T81-Y178 VanDerWaalsContact OG1-CB 3.25Å; T81-Y178 WeakPolarHBondContact OG1-CB 3.17Å; T81-Y178 PolarHBondContact OG1-O 3.21Å; T81-F179 HydrophobicContact CG2-CB 3.67Å; T81-F179 HydrophobicContact CG2-CD2 4.23Å; T81-F179 HydrophobicContact CG2-CG 4.45Å; T81-F179 WeakPolarHBondContact OG1-CA 3.47Å; T81-F179 PolarHBondContact OG1-N 2.94Å
82S98.1Very high97.5Very high0 Ų035.5 Ų35.50%018%0.182CC..Hα-helixtrans-66.7-43.6-174.5-670000113.2F33 L78 L79 V167 N169F33-S82 WeakPolarHBondContact CE2-OG 3.4Å; L78-S82 WeakPolarHBondContact O-CB 3.31Å; L78-S82 PolarHBondContact O-N 2.87Å; L78-S82 PolarHBondContact O-OG 2.93Å; L78-S82 VanDerWaalsContact O-OG 3.08Å; L79-S82 PolarHBondContact O-N 2.81Å; S82-V167 WeakPolarHBondContact CA-O 3.49Å; S82-V167 WeakPolarHBondContact CB-O 3.27Å; S82-V167 PolarHBondContact OG-O 2.92Å; S82-N169 PolarHBondContact O-ND2 3.4Å
83F97.6Very high97.2Very high62 Ų6235.9 Ų35.927%0.27218%0.184SC..Hα-helixtrans-96.2-2.4-169.1-59.3-17.2000114.4V24 M25 M26 F33 L79V24-F83 WeakPolarHBondContact CA-O 3.39Å; V24-F83 HydrophobicContact CB-CB 4.34Å; V24-F83 HydrophobicContact CG1-CB 3.85Å; V24-F83 HydrophobicContact CG1-CD1 3.79Å; V24-F83 HydrophobicContact CG1-CD2 4.46Å; V24-F83 HydrophobicContact CG1-CE1 4.49Å; V24-F83 HydrophobicContact CG1-CG 3.79Å; V24-F83 HydrophobicContact CG2-CB 4.18Å; V24-F83 HydrophobicContact CG2-CD2 4.27Å; V24-F83 HydrophobicContact CG2-CG 4.26Å; M25-F83 PolarHBondContact N-O 2.79Å; M25-F83 CarbonylContact O-C 3.38Å; M25-F83 WeakPolarHBondContact O-CA 3.08Å; M26-F83 HydrophobicContact CE-CD1 4.21Å; M26-F83 HydrophobicContact CE-CE1 3.93Å; M26-F83 HydrophobicContact CG-CD1 3.81Å; M26-F83 HydrophobicContact CG-CE1 4.3Å; M26-F83 HydrophobicContact SD-CD1 3.64Å; M26-F83 HydrophobicContact SD-CE1 3.5Å; M26-F83 WeakPolarHBondContact SD-CE1 3.22Å; F33-F83 HydrophobicContact CE1-CE1 4.14Å; F33-F83 HydrophobicContact CE1-CZ 4.47Å; F33-F83 AromaticContact CZ-CE1 3.8Å; F33-F83 HydrophobicContact CZ-CE1 3.8Å; F33-F83 HydrophobicContact CZ-CZ 4.05Å; L79-F83 HydrophobicContact CB-CD2 4.12Å; L79-F83 HydrophobicContact CB-CE2 4.04Å; L79-F83 HydrophobicContact CD2-CD2 4.34Å; L79-F83 HydrophobicContact CD2-CE1 4.39Å; L79-F83 HydrophobicContact CD2-CE2 3.47Å; L79-F83 VanDerWaalsContact CD2-CE2 3.47Å; L79-F83 HydrophobicContact CD2-CZ 3.49Å; L79-F83 VanDerWaalsContact CD2-CZ 3.49Å; L79-F83 HydrophobicContact CG-CE2 4.23Å; L79-F83 VanDerWaalsContact O-CB 3.26Å; L79-F83 WeakPolarHBondContact O-CB 3.48Å; L79-F83 WeakPolarHBondContact O-CG 3.46Å; L79-F83 PolarHBondContact O-N 3.32Å
84S95.4Very high96.9Very high27 Ų2736.2 Ų36.219%0.18920%0.195CC..SBendtrans-86.6155.1-178.3-68.20000112.9R80 P86 N169R80-S84 WeakPolarHBondContact O-CB 3.3Å; R80-S84 PolarHBondContact O-OG 3.14Å; S84-P86 WeakPolarHBondContact O-CD 3.43Å; S84-N169 PolarHBondContact O-ND2 2.93Å
85D97Very high96.6Very high1 Ų144.1 Ų44.11%0.00523%0.232CC..  trans-63.4118.6159.2165.223.3000108.9M25 G87 V88 R174 S291M25-D85 HydrophobicContact SD-CB 4.06Å; D85-G87 PolarHBondContact O-N 2.87Å; D85-G87 PolarHBondContact OD1-N 3Å; D85-V88 PolarHBondContact OD1-N 2.73Å; D85-R174 WeakPolarHBondContact O-CB 3.32Å; D85-R174 WeakPolarHBondContact O-CD 3.46Å; D85-R174 PolarHBondContact O-NE 3.33Å; D85-R174 VanDerWaalsContact O-NE 3.09Å; D85-R174 VanDerWaalsContact OD2-CD 3.31Å; D85-R174 WeakPolarHBondContact OD2-CD 3.36Å; D85-R174 IonicContact OD2-CZ 3.78Å; D85-R174 IonicContact OD2-NE 2.64Å; D85-R174 PolarHBondContact OD2-NE 3.06Å; D85-R174 VanDerWaalsContact OD2-NE 3.15Å; D85-S291 WeakPolarHBondContact OD2-CB 3.27Å; D85-S291 PolarHBondContact OD2-OG 3.43Å
86P97.4Very high96.2Very high1 Ų147.5 Ų47.51%0.00625%0.248CC..  trans-73.6-10.6-178.332-37.2000113.7S84 V88 V157 C170 G172 K173 R174S84-P86 WeakPolarHBondContact O-CD 3.43Å; P86-V88 HydrophobicContact CG-CG2 4.05Å; P86-V157 HydrophobicContact CB-CG1 4.14Å; P86-V157 HydrophobicContact CG-CG1 4.27Å; P86-V157 HydrophobicContact CG-CG2 4.36Å; P86-C170 HydrophobicContact CB-CB 4.07Å; P86-C170 WeakPolarHBondContact CB-O 3.27Å; P86-C170 HydrophobicContact CG-CB 3.97Å; P86-G172 CarbonylContact O-C 3.34Å; P86-K173 PolarHBondContact O-N 3.35Å; P86-K173 VanDerWaalsContact O-N 3.16Å; P86-R174 PolarHBondContact O-N 2.95Å
87G97.1Very high95.9Very high6 Ų645.9 Ų45.96%0.06223%0.234CC..  trans119.436.8-170.900000111.7D85 L89 V157 D158D85-G87 PolarHBondContact O-N 2.87Å; D85-G87 PolarHBondContact OD1-N 3Å; G87-L89 PolarHBondContact O-N 3.28Å; G87-V157 CarbonylContact O-C 3.53Å; G87-V157 WeakPolarHBondContact O-CA 3.37Å; G87-D158 PolarHBondContact O-N 3.48Å
88V97.8Very high95.5Very high2 Ų249.8 Ų49.81%0.01226%0.255CS..BIsolated β-bridgetrans-64129.4178.71700000109.9M25 D85 P86 N155 C156 V157 V292 L293M25-V88 HydrophobicContact CE-CB 4.23Å; M25-V88 HydrophobicContact CE-CG2 3.57Å; D85-V88 PolarHBondContact OD1-N 2.73Å; P86-V88 HydrophobicContact CG-CG2 4.05Å; V88-N155 HydrophobicContact CG1-CB 3.89Å; V88-N155 HydrophobicContact CG2-CB 4.04Å; V88-C156 WeakPolarHBondContact CA-O 3.26Å; V88-V157 HydrophobicContact CG2-CG2 4.28Å; V88-V292 VanDerWaalsContact O-CG2 3.25Å; V88-V292 WeakPolarHBondContact O-CG2 3.46Å; V88-L293 HydrophobicContact CB-CD1 3.78Å; V88-L293 HydrophobicContact CG1-CD1 3.89Å
89L97.3Very high95.1Very high20 Ų2055.6 Ų55.611%0.10528%0.281CS..PPolyproline II helixtrans-87.2137.9176-64.8173.7000109.9G87 I141 P144 A147 C156 D158G87-L89 PolarHBondContact O-N 3.28Å; L89-I141 HydrophobicContact CB-CD1 4.12Å; L89-I141 HydrophobicContact CD1-CD1 4.21Å; L89-P144 VanDerWaalsContact CD1-CD 3.48Å; L89-P144 HydrophobicContact CD1-CG 3.72Å; L89-A147 HydrophobicContact CD1-CB 3.88Å; L89-C156 HydrophobicContact CB-CB 4.23Å; L89-C156 HydrophobicContact CD1-CB 4.24Å; L89-C156 PolarHBondContact N-O 2.79Å; L89-D158 HydrophobicContact CD2-CB 4.09Å; L89-D158 HydrophobicContact CG-CB 4.28Å
90P95.6Very high94.6Very high69 Ų6953.9 Ų53.945%0.44827%0.272SS..PPolyproline II helixtrans-61.5147.1174.427.7-34.3000110.2L293P90-L293 HydrophobicContact CB-CD2 4.47Å
91R95.1Very high94.1Very high68 Ų6849.7 Ų49.726%0.25726%0.258SS..PPolyproline II helixtrans-72.1151.5169.1-57.9-168.2-178.4-169.7-0.5108.7P13 C139 D154P13-R91 HydrophobicContact CG-CG 3.83Å; R91-C139 WeakPolarHBondContact CA-O 3.49Å; R91-C139 HydrophobicContact CG-CB 4.13Å; R91-D154 IonicContact CZ-OD2 2.74Å; R91-D154 PolarHBondContact NH2-O 3.2Å; R91-D154 IonicContact NH2-OD1 2.74Å; R91-D154 IonicContact NH2-OD2 3.84Å; R91-D154 PolarHBondContact NH2-OD2 3.37Å
92A94Very high93.6Very high17 Ų1755.2 Ų55.214%0.1429%0.285CS..PPolyproline II helixtrans-60.1141.1174.600000110.1E96 A97 C139 K140 I141A92-E96 WeakPolarHBondContact CA-OE2 3.41Å; A92-E96 HydrophobicContact CB-CB 4.04Å; A92-A97 HydrophobicContact CB-CB 4.08Å; A92-C139 PolarHBondContact N-O 3.34Å; A92-K140 HydrophobicContact CB-CB 3.99Å; A92-K140 WeakPolarHBondContact CB-O 3.25Å; A92-I141 HydrophobicContact CB-CG2 3.87Å
93L92.8Very high93Very high109 Ų10959.1 Ų59.157%0.57130%0.303SS*.PPolyproline II helixtrans-61.3156.3168.2-65.2172.9000109.7E95 E96 A97L93-E95 PolarHBondContact O-N 3.41Å; L93-E96 HydrophobicContact CB-CB 4.34Å; L93-E96 HydrophobicContact CB-CG 4.04Å; L93-E96 PolarHBondContact N-OE2 3.48Å; L93-E96 PolarHBondContact O-N 3.02Å; L93-E96 VanDerWaalsContact O-N 3.09Å; L93-A97 WeakPolarHBondContact O-CB 3.24Å; L93-A97 PolarHBondContact O-N 3.38Å
94P92.6Very high92.4Very high97 Ų9756.7 Ų56.763%0.6329%0.293SS*.Hα-helixtrans-53-42.7180-27.735.6000113.1A97 N98P94-A97 PolarHBondContact O-N 3.01Å; P94-N98 WeakPolarHBondContact O-CB 3.44Å; P94-N98 PolarHBondContact O-N 2.77Å; P94-N98 PolarHBondContact O-ND2 3.34Å; P94-N98 PolarHBondContact O-OD1 2.91Å
95E92.6Very high91.8Very high165 Ų16561.1 Ų61.177%0.77131%0.311SS*.Hα-helixtrans-64.7-44.6177.1-63.5177.8-175.500112.3L93 N98 F99L93-E95 PolarHBondContact O-N 3.41Å; E95-N98 PolarHBondContact O-N 2.87Å; E95-F99 WeakPolarHBondContact O-CB 3.43Å; E95-F99 PolarHBondContact O-N 2.89Å
96E91.1Very high91.1Very high98 Ų9864.2 Ų64.246%0.45834%0.336SS..Hα-helixtrans-63.5-42.2176.2-65.8175.2156.800111.5A92 L93 F99 I100A92-E96 WeakPolarHBondContact CA-OE2 3.41Å; A92-E96 HydrophobicContact CB-CB 4.04Å; L93-E96 HydrophobicContact CB-CB 4.34Å; L93-E96 HydrophobicContact CB-CG 4.04Å; L93-E96 PolarHBondContact N-OE2 3.48Å; L93-E96 PolarHBondContact O-N 3.02Å; L93-E96 VanDerWaalsContact O-N 3.09Å; E96-F99 PolarHBondContact O-N 3.03Å; E96-I100 WeakPolarHBondContact O-CB 3.34Å; E96-I100 WeakPolarHBondContact O-CD1 3.37Å; E96-I100 WeakPolarHBondContact O-CG1 3.45Å; E96-I100 PolarHBondContact O-N 3.05Å
97A91.1Very high90.2Very high9 Ų966.9 Ų66.97%0.07436%0.359CS..Hα-helixtrans-63.1-45.9177.700000110.9A92 L93 P94 F99 I100 E101 K140A92-A97 HydrophobicContact CB-CB 4.08Å; L93-A97 WeakPolarHBondContact O-CB 3.24Å; L93-A97 PolarHBondContact O-N 3.38Å; P94-A97 PolarHBondContact O-N 3.01Å; A97-F99 VanDerWaalsContact C-N 3.35Å; A97-F99 PolarHBondContact O-N 3.46Å; A97-I100 PolarHBondContact O-N 3.16Å; A97-E101 WeakPolarHBondContact O-CB 3.23Å; A97-E101 WeakPolarHBondContact O-CG 3.43Å; A97-E101 PolarHBondContact O-N 2.95Å; A97-K140 HydrophobicContact CB-CB 3.73Å; A97-K140 HydrophobicContact CB-CG 4.18Å
98N90.3Very high89.2Confident104 Ų10468.4 Ų68.456%0.55637%0.365SS*.Hα-helixtrans-61.3-44.2176.5-69.9-16.9000111.2P94 E95 E101 M102P94-N98 WeakPolarHBondContact O-CB 3.44Å; P94-N98 PolarHBondContact O-N 2.77Å; P94-N98 PolarHBondContact O-ND2 3.34Å; P94-N98 PolarHBondContact O-OD1 2.91Å; E95-N98 PolarHBondContact O-N 2.87Å; N98-E101 PolarHBondContact O-N 2.95Å; N98-M102 WeakPolarHBondContact O-CB 3.31Å; N98-M102 PolarHBondContact O-N 3.49Å
99F89.9Confident87.7Confident123 Ų12371.4 Ų71.454%0.53940%0.397SS..Hα-helixtrans-61.4-46.5176.5179.5-95.6000111.9E95 E96 A97 E101 M102 E103E95-F99 WeakPolarHBondContact O-CB 3.43Å; E95-F99 PolarHBondContact O-N 2.89Å; E96-F99 PolarHBondContact O-N 3.03Å; A97-F99 VanDerWaalsContact C-N 3.35Å; A97-F99 PolarHBondContact O-N 3.46Å; F99-E101 VanDerWaalsContact C-N 3.33Å; F99-E101 PolarHBondContact O-N 3.49Å; F99-M102 HydrophobicContact CD2-CE 4.11Å; F99-M102 HydrophobicContact CE2-CE 4.4Å; F99-M102 PolarHBondContact O-N 2.95Å; F99-E103 WeakPolarHBondContact O-CB 3.48Å; F99-E103 PolarHBondContact O-N 2.95Å
100I87.9Confident86.3Confident24 Ų2477.3 Ų77.312%0.12343%0.428CS..Hα-helixtrans-62.1-41.8177.7-70.7164.1000111E96 A97 E103 I104 Y135 F142E96-I100 WeakPolarHBondContact O-CB 3.34Å; E96-I100 WeakPolarHBondContact O-CD1 3.37Å; E96-I100 WeakPolarHBondContact O-CG1 3.45Å; E96-I100 PolarHBondContact O-N 3.05Å; A97-I100 PolarHBondContact O-N 3.16Å; I100-E103 PolarHBondContact O-N 2.84Å; I100-I104 HydrophobicContact CG2-CD1 3.67Å; I100-I104 HydrophobicContact CG2-CG1 4.5Å; I100-I104 WeakPolarHBondContact O-CB 3.16Å; I100-I104 VanDerWaalsContact O-CD1 3.3Å; I100-I104 WeakPolarHBondContact O-CD1 3.16Å; I100-I104 WeakPolarHBondContact O-CG1 3.37Å; I100-I104 PolarHBondContact O-N 2.9Å; I100-Y135 HydrophobicContact CG2-CD2 4.1Å; I100-Y135 HydrophobicContact CG2-CE2 3.54Å; I100-F142 HydrophobicContact CG2-CD2 4.02Å; I100-F142 HydrophobicContact CG2-CE2 3.65Å
101E88Confident84.9Confident42 Ų4276 Ų7620%0.19642%0.419CS..Hα-helixtrans-68.4-40.9179.5-72.4-173.9162.900112.1A97 N98 F99 E103 I104 E105 Y135 K140A97-E101 WeakPolarHBondContact O-CB 3.23Å; A97-E101 WeakPolarHBondContact O-CG 3.43Å; A97-E101 PolarHBondContact O-N 2.95Å; N98-E101 PolarHBondContact O-N 2.95Å; F99-E101 VanDerWaalsContact C-N 3.33Å; F99-E101 PolarHBondContact O-N 3.49Å; E101-E103 PolarHBondContact O-N 3.1Å; E101-I104 WeakPolarHBondContact O-CB 3.46Å; E101-I104 PolarHBondContact O-N 3.16Å; E101-E105 WeakPolarHBondContact O-CB 3.45Å; E101-E105 WeakPolarHBondContact O-CG 3.24Å; E101-E105 PolarHBondContact O-N 2.85Å; E101-Y135 WeakPolarHBondContact CG-OH 3.2Å; E101-Y135 PolarHBondContact OE1-OH 2.9Å; E101-K140 VanDerWaalsContact OE1-CD 3.3Å; E101-K140 WeakPolarHBondContact OE1-CD 3.42Å; E101-K140 WeakPolarHBondContact OE1-CE 3.35Å; E101-K140 IonicContact OE1-NZ 3.47Å; E101-K140 PolarHBondContact OE1-NZ 2.75Å; E101-K140 IonicContact OE2-NZ 2.87Å
102M86.3Confident83.9Confident116 Ų11676.7 Ų76.757%0.57143%0.432SS*.Hα-helixtrans-61.1-42.9172.6-174.6-1796800111.9N98 F99 I104 E105 A106N98-M102 WeakPolarHBondContact O-CB 3.31Å; N98-M102 PolarHBondContact O-N 3.49Å; F99-M102 HydrophobicContact CD2-CE 4.11Å; F99-M102 HydrophobicContact CE2-CE 4.4Å; F99-M102 PolarHBondContact O-N 2.95Å; M102-I104 VanDerWaalsContact C-N 3.32Å; M102-I104 PolarHBondContact O-N 3Å; M102-E105 PolarHBondContact O-N 3.19Å; M102-A106 WeakPolarHBondContact O-CB 3.34Å; M102-A106 PolarHBondContact O-N 3.03Å
103E85.7Confident82.8Confident81 Ų8182.3 Ų82.338%0.37947%0.471SS..Hα-helixtrans-61.6-41.5176-169.9-168.9147.100111.5F99 I100 E101 A107 R122F99-E103 WeakPolarHBondContact O-CB 3.48Å; F99-E103 PolarHBondContact O-N 2.95Å; I100-E103 PolarHBondContact O-N 2.84Å; E101-E103 PolarHBondContact O-N 3.1Å; E103-A107 WeakPolarHBondContact O-CB 3.49Å; E103-A107 PolarHBondContact O-N 3.08Å; E103-R122 IonicContact OE1-CZ 3.26Å; E103-R122 IonicContact OE1-NH2 3.99Å; E103-R122 PolarHBondContact OE1-NH2 3.15Å; E103-R122 IonicContact OE2-CZ 3.38Å; E103-R122 IonicContact OE2-NH2 3.06Å; E103-R122 PolarHBondContact OE2-NH2 3.21Å
104I84.6Confident81.8Confident11 Ų1181.3 Ų81.36%0.05649%0.487CS..Hα-helixtrans-65.2-43176.3-71.4161.5000111.1I100 E101 M102 A107 N108 R120 Y135 F142I100-I104 HydrophobicContact CG2-CD1 3.67Å; I100-I104 HydrophobicContact CG2-CG1 4.5Å; I100-I104 WeakPolarHBondContact O-CB 3.16Å; I100-I104 VanDerWaalsContact O-CD1 3.3Å; I100-I104 WeakPolarHBondContact O-CD1 3.16Å; I100-I104 WeakPolarHBondContact O-CG1 3.37Å; I100-I104 PolarHBondContact O-N 2.9Å; E101-I104 WeakPolarHBondContact O-CB 3.46Å; E101-I104 PolarHBondContact O-N 3.16Å; M102-I104 VanDerWaalsContact C-N 3.32Å; M102-I104 PolarHBondContact O-N 3Å; I104-A107 PolarHBondContact O-N 2.66Å; I104-N108 PolarHBondContact O-N 2.82Å; I104-N108 PolarHBondContact O-ND2 3.31Å; I104-R120 HydrophobicContact CD1-CG 4.47Å; I104-R120 HydrophobicContact CG2-CG 3.7Å; I104-Y135 HydrophobicContact CD1-CD1 4.41Å; I104-Y135 HydrophobicContact CD1-CD2 4.04Å; I104-Y135 HydrophobicContact CD1-CE1 4.44Å; I104-Y135 HydrophobicContact CD1-CE2 4.13Å; I104-Y135 HydrophobicContact CD1-CG 4.19Å; I104-F142 HydrophobicContact CD1-CE2 4.15Å; I104-F142 HydrophobicContact CD1-CZ 3.81Å; I104-F142 HydrophobicContact CG1-CE2 4.33Å; I104-F142 HydrophobicContact CG1-CZ 3.86Å
105E84.3Confident80.8Confident121 Ų12183 Ų8357%0.56549%0.487SS*.Hα-helixtrans-66.9-42.2178.6-75.5175.9-177.300111.9E101 M102 A107 N108 G109E101-E105 WeakPolarHBondContact O-CB 3.45Å; E101-E105 WeakPolarHBondContact O-CG 3.24Å; E101-E105 PolarHBondContact O-N 2.85Å; M102-E105 PolarHBondContact O-N 3.19Å; E105-A107 VanDerWaalsContact C-N 3.31Å; E105-A107 PolarHBondContact O-N 2.84Å; E105-N108 CarbonylContact O-C 3.48Å; E105-N108 WeakPolarHBondContact O-CA 3.49Å; E105-N108 PolarHBondContact O-N 3.13Å; E105-G109 PolarHBondContact O-N 3.13Å
106A82.4Confident79.6Confident65 Ų6586.7 Ų86.754%0.53749%0.493SS..Hα-helixtrans-60-41.1173.800000111.8M102 N108 G109M102-A106 WeakPolarHBondContact O-CB 3.34Å; M102-A106 PolarHBondContact O-N 3.03Å; A106-N108 VanDerWaalsContact C-N 3.3Å; A106-N108 PolarHBondContact O-N 3.4Å; A106-G109 PolarHBondContact O-N 2.99Å
107A77.3Confident78.5Confident58 Ų5884.7 Ų84.748%0.47949%0.493SS..Hα-helixtrans-64.8-34.517400000112.5E103 I104 E105E103-A107 WeakPolarHBondContact O-CB 3.49Å; E103-A107 PolarHBondContact O-N 3.08Å; I104-A107 PolarHBondContact O-N 2.66Å; E105-A107 VanDerWaalsContact C-N 3.31Å; E105-A107 PolarHBondContact O-N 2.84Å
108N75.9Confident77.2Confident37 Ų3787 Ų8720%0.19851%0.507CS..Hα-helixtrans-78.9-26.4177.1-66.8-22.3000113.5I104 E105 A106 N110 V111 P118I104-N108 PolarHBondContact O-N 2.82Å; I104-N108 PolarHBondContact O-ND2 3.31Å; E105-N108 CarbonylContact O-C 3.48Å; E105-N108 WeakPolarHBondContact O-CA 3.49Å; E105-N108 PolarHBondContact O-N 3.13Å; A106-N108 VanDerWaalsContact C-N 3.3Å; A106-N108 PolarHBondContact O-N 3.4Å; N108-N110 PolarHBondContact O-N 3.38Å; N108-N110 VanDerWaalsContact O-N 3.16Å; N108-V111 WeakPolarHBondContact O-CB 3.29Å; N108-V111 WeakPolarHBondContact O-CG2 3.46Å; N108-V111 PolarHBondContact O-N 3.39Å; N108-P118 VanDerWaalsContact OD1-CD 3.25Å; N108-P118 WeakPolarHBondContact OD1-CD 3.41Å; N108-P118 WeakPolarHBondContact OD1-CG 3.5Å
109G68.3Low76.2Confident66 Ų6686.7 Ų86.768%0.6851%0.511SS*.Hα-helixtrans-64.2-16.3178.800000113.5E105 A106 V111E105-G109 PolarHBondContact O-N 3.13Å; A106-G109 PolarHBondContact O-N 2.99Å; G109-V111 PolarHBondContact O-N 3.5Å
110N66.3Low76Confident143 Ų14383.8 Ų83.877%0.76550%0.497SS*.THydrogen-bonded Turntrans-79.11.5170.7-64.1-38.2000113.5N108N108-N110 PolarHBondContact O-N 3.38Å; N108-N110 VanDerWaalsContact O-N 3.16Å
111V66.7Low75.8Confident41 Ų4186 Ų8625%0.24851%0.508CS..SBendtrans-94.9120.8-177.9-176.20000109.6N108 G109 Q115 P118N108-V111 WeakPolarHBondContact O-CB 3.29Å; N108-V111 WeakPolarHBondContact O-CG2 3.46Å; N108-V111 PolarHBondContact O-N 3.39Å; G109-V111 PolarHBondContact O-N 3.5Å; V111-Q115 HydrophobicContact CG1-CB 3.66Å; V111-P118 VanDerWaalsContact CG2-CD 3.45Å; V111-P118 HydrophobicContact CG2-CG 4.17Å
112P74.1Confident75.7Confident83 Ų8388.1 Ų88.154%0.53951%0.514SS..PPolyproline II helixtrans-57.2144.2176-24.533.2000113.3G114 Q115P112-G114 PolarHBondContact O-N 3.39Å; P112-Q115 PolarHBondContact O-N 3.11Å; P112-Q115 VanDerWaalsContact O-N 3.15Å
113S71.6Confident75.8Confident136 Ų13687.4 Ų87.495%0.95151%0.512SS*.THydrogen-bonded Turntrans-52.7126.5176.6-59.30000111.8
114G71Confident75.9Confident88 Ų8885.7 Ų85.791%0.90751%0.507SS*.THydrogen-bonded Turntrans100-9.1-178.700000115P112P112-G114 PolarHBondContact O-N 3.39Å
115Q71.1Confident76.2Confident133 Ų13391.7 Ų91.762%0.62154%0.535SS*.SBendtrans-91.6147169.7-78.2-177.5-15.400112.2V111 P112 A117V111-Q115 HydrophobicContact CG1-CB 3.66Å; P112-Q115 PolarHBondContact O-N 3.11Å; P112-Q115 VanDerWaalsContact O-N 3.15Å; Q115-A117 PolarHBondContact O-N 3.29Å
116R68.3Low76.3Confident242 Ų24287.6 Ų87.691%0.91352%0.517SS*.PPolyproline II helixtrans-67.4126.1176.3-173.4176.8-175.3151.33.3109.4
117A67.1Low76.4Confident55 Ų5590 Ų9046%0.45552%0.521SS..PPolyproline II helixtrans-52.3137.5174.700000111Q115Q115-A117 PolarHBondContact O-N 3.29Å
118P64.5Low76.7Confident57 Ų5794 Ų9437%0.3753%0.534SS..PPolyproline II helixtrans-61.6147.3-177.824-32.8000110.1N108 V111 R120N108-P118 VanDerWaalsContact OD1-CD 3.25Å; N108-P118 WeakPolarHBondContact OD1-CD 3.41Å; N108-P118 WeakPolarHBondContact OD1-CG 3.5Å; V111-P118 VanDerWaalsContact CG2-CD 3.45Å; V111-P118 HydrophobicContact CG2-CG 4.17Å; P118-R120 PolarHBondContact O-N 3.1Å
119P70.1Confident77.2Confident98 Ų9894.9 Ų94.964%0.63654%0.537SS*.PPolyproline II helixtrans-60.2134.6175.926.1-33.6000109.4I121P119-I121 HydrophobicContact CB-CD1 3.79Å; P119-I121 HydrophobicContact CB-CG1 3.99Å; P119-I121 HydrophobicContact CG-CD1 3.65Å; P119-I121 HydrophobicContact CG-CG1 4.23Å; P119-I121 PolarHBondContact O-N 3.08Å
120R83.8Confident78.1Confident63 Ų6397.6 Ų97.624%0.23854%0.535CS..  trans-64.880179.5-60.5-178.8177.1-151.80.1111.1I104 P118 Y135 Y137I104-R120 HydrophobicContact CD1-CG 4.47Å; I104-R120 HydrophobicContact CG2-CG 3.7Å; P118-R120 PolarHBondContact O-N 3.1Å; R120-Y135 HydrophobicContact CB-CD1 4.49Å; R120-Y135 HydrophobicContact CB-CG 4.35Å; R120-Y135 PolarHBondContact O-N 3.12Å; R120-Y135 VanDerWaalsContact O-N 3.14Å; R120-Y137 WeakPolarHBondContact CD-OH 3.3Å
121I83.8Confident79.1Confident69 Ų6991.9 Ų91.935%0.35451%0.505SS..EExtended strand (participates in β ladder)trans-123.2135.1-174.5-60.8174.9000109.1P119 K132 L133P119-I121 HydrophobicContact CB-CD1 3.79Å; P119-I121 HydrophobicContact CB-CG1 3.99Å; P119-I121 HydrophobicContact CG-CD1 3.65Å; P119-I121 HydrophobicContact CG-CG1 4.23Å; P119-I121 PolarHBondContact O-N 3.08Å; I121-K132 HydrophobicContact CG2-CB 3.69Å; I121-K132 HydrophobicContact CG2-CD 4.4Å; I121-K132 HydrophobicContact CG2-CG 3.95Å; I121-L133 VanDerWaalsContact CA-O 3.26Å; I121-L133 WeakPolarHBondContact CA-O 3.37Å
122R86.1Confident80.2Confident88 Ų8896.8 Ų96.833%0.33252%0.523SS..EExtended strand (participates in β ladder)trans-115.1132.5169.4-177.6177-75.5173.8-3.5108.8E103 L133 F142E103-R122 IonicContact OE1-CZ 3.26Å; E103-R122 IonicContact OE1-NH2 3.99Å; E103-R122 PolarHBondContact OE1-NH2 3.15Å; E103-R122 IonicContact OE2-CZ 3.38Å; E103-R122 IonicContact OE2-NH2 3.06Å; E103-R122 PolarHBondContact OE2-NH2 3.21Å; R122-L133 HydrophobicContact CB-CB 4.3Å; R122-L133 PolarHBondContact N-O 2.8Å; R122-L133 WeakPolarHBondContact O-CA 3.2Å; R122-L133 VanDerWaalsContact O-CB 3.31Å; R122-L133 WeakPolarHBondContact O-CB 3.42Å; R122-L133 PolarHBondContact O-N 3Å; R122-F142 HydrophobicContact CB-CD1 3.82Å; R122-F142 HydrophobicContact CB-CE1 3.9Å; R122-F142 HydrophobicContact CB-CG 4.23Å; R122-F142 HydrophobicContact CB-CZ 4.36Å
123N88.6Confident81Confident100 Ų10093.6 Ų93.654%0.53550%0.501SS..EExtended strand (participates in β ladder)trans-90.4134.8177.5-69.6-32.2000109.7I130 K132N123-I130 HydrophobicContact CB-CG2 3.76Å; N123-K132 WeakPolarHBondContact OD1-CG 3.48Å
124V88.7Confident82Confident45 Ų4593 Ų9327%0.27348%0.481SS..EExtended strand (participates in β ladder)trans-129.9149170.3-62.60000109.6I126 V131 L133 P145V124-I126 HydrophobicContact CG2-CD1 4.37Å; V124-I126 HydrophobicContact CG2-CG1 4.39Å; V124-V131 HydrophobicContact CG2-CB 4.21Å; V124-V131 PolarHBondContact N-O 2.7Å; V124-V131 PolarHBondContact O-N 3.21Å; V124-L133 HydrophobicContact CG1-CD1 3.58Å; V124-L133 HydrophobicContact CG1-CG 4Å; V124-L133 HydrophobicContact CG2-CD1 4.14Å; V124-L133 HydrophobicContact CG2-CD2 3.67Å; V124-L133 HydrophobicContact CG2-CG 3.85Å; V124-P145 HydrophobicContact CG2-CG 4.23Å
125Q89.6Confident83.2Confident138 Ų13889 Ų8965%0.64544%0.439SS*.EExtended strand (participates in β ladder)trans-97.4129179.2-167.5175.4-400109.9Q129Q125-Q129 WeakPolarHBondContact CA-O 3.27Å
126I86.7Confident84.4Confident34 Ų3483 Ų8317%0.17441%0.411CS..EExtended strand (participates in β ladder)trans-133.9119.3177.8-55.4178.2000107.1V124 N128 Q129 V131 P145 Y271V124-I126 HydrophobicContact CG2-CD1 4.37Å; V124-I126 HydrophobicContact CG2-CG1 4.39Å; I126-N128 PolarHBondContact O-N 2.99Å; I126-Q129 PolarHBondContact N-O 3.22Å; I126-Q129 WeakPolarHBondContact O-CB 3.47Å; I126-Q129 PolarHBondContact O-N 3.35Å; I126-V131 HydrophobicContact CB-CG2 4.26Å; I126-V131 HydrophobicContact CD1-CB 4.05Å; I126-V131 HydrophobicContact CD1-CG1 4.4Å; I126-V131 HydrophobicContact CD1-CG2 3.84Å; I126-V131 HydrophobicContact CG1-CB 4.5Å; I126-V131 HydrophobicContact CG1-CG2 4.18Å; I126-P145 HydrophobicContact CD1-CB 3.57Å; I126-P145 HydrophobicContact CD1-CG 3.4Å; I126-P145 VanDerWaalsContact CD1-CG 3.4Å; I126-Y271 HydrophobicContact CD1-CE1 4.17Å; I126-Y271 VanDerWaalsContact CD1-OH 3.3Å; I126-Y271 WeakPolarHBondContact CD1-OH 3.19Å; I126-Y271 HydrophobicContact CG2-CE1 4.05Å
127N84.9Confident85.6Confident116 Ų11678.1 Ų78.162%0.6239%0.394SS*.THydrogen-bonded Turntrans4748.6-177.9-63.2-19.9000112.2Q129 P270N127-Q129 PolarHBondContact O-N 3.2Å; N127-Q129 VanDerWaalsContact O-N 3.12Å; N127-P270 HydrophobicContact CB-CB 4.38Å; N127-P270 PolarHBondContact ND2-O 3.45Å
128N84.4Confident87Confident142 Ų14278.4 Ų78.476%0.75939%0.39SS*.THydrogen-bonded Turntrans62.911.9-178.5-5867.3000116I126I126-N128 PolarHBondContact O-N 2.99Å
129Q85.7Confident88.5Confident56 Ų5675.7 Ų75.726%0.26237%0.372SS..EExtended strand (participates in β ladder)trans-108.7137.7173.2-63.4-173.7-11.300111.5Q125 I126 N127 V131 Q268 P270Q125-Q129 WeakPolarHBondContact CA-O 3.27Å; I126-Q129 PolarHBondContact N-O 3.22Å; I126-Q129 WeakPolarHBondContact O-CB 3.47Å; I126-Q129 PolarHBondContact O-N 3.35Å; N127-Q129 PolarHBondContact O-N 3.2Å; N127-Q129 VanDerWaalsContact O-N 3.12Å; Q129-V131 PolarHBondContact O-N 3.21Å; Q129-Q268 PolarHBondContact NE2-O 3.09Å; Q129-Q268 PolarHBondContact OE1-O 3.37Å; Q129-P270 VanDerWaalsContact OE1-CB 3.25Å; Q129-P270 VanDerWaalsContact OE1-CD 3.29Å; Q129-P270 VanDerWaalsContact OE1-CG 3.24Å
130I87.2Confident89.7Confident123 Ų12374.4 Ų74.463%0.63136%0.357SS*.EExtended strand (participates in β ladder)trans-79.8116.4175.7-61173.7000109.4N123N123-I130 HydrophobicContact CB-CG2 3.76Å
131V87.4Confident90.3Very high23 Ų2372.6 Ų72.614%0.13935%0.351CS..EExtended strand (participates in β ladder)trans-104.8127.3174.9179.60000109.9V124 I126 Q129 P145V124-V131 HydrophobicContact CG2-CB 4.21Å; V124-V131 PolarHBondContact N-O 2.7Å; V124-V131 PolarHBondContact O-N 3.21Å; I126-V131 HydrophobicContact CB-CG2 4.26Å; I126-V131 HydrophobicContact CD1-CB 4.05Å; I126-V131 HydrophobicContact CD1-CG1 4.4Å; I126-V131 HydrophobicContact CD1-CG2 3.84Å; I126-V131 HydrophobicContact CG1-CB 4.5Å; I126-V131 HydrophobicContact CG1-CG2 4.18Å; Q129-V131 PolarHBondContact O-N 3.21Å; V131-P145 HydrophobicContact CG1-CB 4.42Å
132K88.8Confident90.8Very high144 Ų14470.5 Ų70.563%0.62634%0.34SS*.EExtended strand (participates in β ladder)trans-85.2109.7-179.7-68.6179.3-179.5-179.20110.7I121 N123I121-K132 HydrophobicContact CG2-CB 3.69Å; I121-K132 HydrophobicContact CG2-CD 4.4Å; I121-K132 HydrophobicContact CG2-CG 3.95Å; N123-K132 WeakPolarHBondContact OD1-CG 3.48Å
133L92.3Very high91.3Very high16 Ų1669 Ų698%0.08433%0.334CS..EExtended strand (participates in β ladder)trans-79134.6171.5-52.7-169.7000110.2I121 R122 V124 R143 P145I121-L133 VanDerWaalsContact CA-O 3.26Å; I121-L133 WeakPolarHBondContact CA-O 3.37Å; R122-L133 HydrophobicContact CB-CB 4.3Å; R122-L133 PolarHBondContact N-O 2.8Å; R122-L133 WeakPolarHBondContact O-CA 3.2Å; R122-L133 VanDerWaalsContact O-CB 3.31Å; R122-L133 WeakPolarHBondContact O-CB 3.42Å; R122-L133 PolarHBondContact O-N 3Å; V124-L133 HydrophobicContact CG1-CD1 3.58Å; V124-L133 HydrophobicContact CG1-CG 4Å; V124-L133 HydrophobicContact CG2-CD1 4.14Å; V124-L133 HydrophobicContact CG2-CD2 3.67Å; V124-L133 HydrophobicContact CG2-CG 3.85Å; L133-R143 WeakPolarHBondContact CD2-O 3.43Å; L133-P145 HydrophobicContact CD2-CB 4.46Å; L133-P145 HydrophobicContact CD2-CG 3.87Å
134K92.8Very high91.6Very high123 Ų12366.4 Ų66.454%0.53532%0.323SS..EExtended strand (participates in β ladder)trans-103.8130.7179.1-62.8-178.3-179.3-178.20110.2R143K134-R143 WeakPolarHBondContact O-CB 3.43Å; K134-R143 WeakPolarHBondContact O-CG 3.26Å; K134-R143 PolarHBondContact O-N 2.97Å; K134-R143 VanDerWaalsContact O-N 3.07Å; K134-R143 PolarHBondContact O-NE 2.99Å
135Y94.6Very high91.9Very high5 Ų566.2 Ų66.22%0.0232%0.323CS..EExtended strand (participates in β ladder)trans-62.3140.3171.6-172.7-115.8000111.6I100 E101 I104 R120 Y137 K140 I141 F142 R143I100-Y135 HydrophobicContact CG2-CD2 4.1Å; I100-Y135 HydrophobicContact CG2-CE2 3.54Å; E101-Y135 WeakPolarHBondContact CG-OH 3.2Å; E101-Y135 PolarHBondContact OE1-OH 2.9Å; I104-Y135 HydrophobicContact CD1-CD1 4.41Å; I104-Y135 HydrophobicContact CD1-CD2 4.04Å; I104-Y135 HydrophobicContact CD1-CE1 4.44Å; I104-Y135 HydrophobicContact CD1-CE2 4.13Å; I104-Y135 HydrophobicContact CD1-CG 4.19Å; R120-Y135 HydrophobicContact CB-CD1 4.49Å; R120-Y135 HydrophobicContact CB-CG 4.35Å; R120-Y135 PolarHBondContact O-N 3.12Å; R120-Y135 VanDerWaalsContact O-N 3.14Å; Y135-Y137 AromaticContact CD1-CD1 3.89Å; Y135-Y137 HydrophobicContact CD1-CD1 3.89Å; Y135-Y137 AromaticContact CD1-CE1 3.91Å; Y135-Y137 HydrophobicContact CD1-CE1 3.91Å; Y135-Y137 HydrophobicContact CD1-CG 4.27Å; Y135-Y137 AromaticContact CE1-CD1 3.8Å; Y135-Y137 HydrophobicContact CE1-CD1 3.8Å; Y135-Y137 HydrophobicContact CE1-CE1 4.12Å; Y135-Y137 HydrophobicContact CE1-CG 4.35Å; Y135-K140 WeakPolarHBondContact OH-CD 3.42Å; Y135-I141 WeakPolarHBondContact CD2-O 3.24Å; Y135-F142 HydrophobicContact CD2-CD1 4.4Å; Y135-F142 HydrophobicContact CD2-CD2 4.42Å; Y135-F142 HydrophobicContact CD2-CE1 4.41Å; Y135-F142 HydrophobicContact CD2-CE2 4.45Å; Y135-F142 HydrophobicContact CD2-CG 4.41Å; Y135-F142 HydrophobicContact CD2-CZ 4.44Å; Y135-R143 PolarHBondContact O-NH2 2.77Å
136C96.3Very high92.2Very high5 Ų561.2 Ų61.23%0.03430%0.298CS..EExtended strand (participates in β ladder)trans-107.2115.7171.5179.30000109.4T138 C139 K140 I141 R143 H149C136-T138 VanDerWaalsContact C-N 3.3Å; C136-T138 PolarHBondContact O-N 3.43Å; C136-C139 HydrophobicContact CB-CB 4.31Å; C136-C139 PolarHBondContact SG-N 3.01Å; C136-C139 VanDerWaalsContact SG-N 3.42Å; C136-K140 VanDerWaalsContact O-CA 3.26Å; C136-K140 WeakPolarHBondContact O-CA 3.4Å; C136-K140 PolarHBondContact O-N 3.25Å; C136-I141 HydrophobicContact CB-CG1 4.49Å; C136-I141 PolarHBondContact N-O 3.35Å; C136-R143 HydrophobicContact CB-CG 3.93Å; C136-H149 PolarHBondContact SG-ND1 2.93Å
137Y94.4Very high92.7Very high141 Ų14160 Ų6055%0.55329%0.293SS*.THydrogen-bonded Turntrans-66.9-29.9-179.2-63.1-82.4000113.7R120 Y135 K140R120-Y137 WeakPolarHBondContact CD-OH 3.3Å; Y135-Y137 AromaticContact CD1-CD1 3.89Å; Y135-Y137 HydrophobicContact CD1-CD1 3.89Å; Y135-Y137 AromaticContact CD1-CE1 3.91Å; Y135-Y137 HydrophobicContact CD1-CE1 3.91Å; Y135-Y137 HydrophobicContact CD1-CG 4.27Å; Y135-Y137 AromaticContact CE1-CD1 3.8Å; Y135-Y137 HydrophobicContact CE1-CD1 3.8Å; Y135-Y137 HydrophobicContact CE1-CE1 4.12Å; Y135-Y137 HydrophobicContact CE1-CG 4.35Å; Y137-K140 VanDerWaalsContact O-CD 3.31Å; Y137-K140 WeakPolarHBondContact O-CD 3.41Å; Y137-K140 WeakPolarHBondContact O-CE 3.13Å
138T95.9Very high93.3Very high60 Ų6055 Ų5537%0.36827%0.267SS..THydrogen-bonded Turntrans-77.6-45.6-179.8-470000112.4C136 D154C136-T138 VanDerWaalsContact C-N 3.3Å; C136-T138 PolarHBondContact O-N 3.43Å; T138-D154 WeakPolarHBondContact CG2-OD1 3.4Å
139C96.4Very high94Very high0 Ų050.4 Ų50.40%024%0.241CC..THydrogen-bonded Turntrans-91-8.8-177.1-59.60000112.8R91 A92 C136 I141 C156R91-C139 WeakPolarHBondContact CA-O 3.49Å; R91-C139 HydrophobicContact CG-CB 4.13Å; A92-C139 PolarHBondContact N-O 3.34Å; C136-C139 HydrophobicContact CB-CB 4.31Å; C136-C139 PolarHBondContact SG-N 3.01Å; C136-C139 VanDerWaalsContact SG-N 3.42Å; C139-I141 HydrophobicContact CB-CD1 4.25Å; C139-I141 HydrophobicContact CB-CG1 3.89Å; C139-I141 PolarHBondContact O-N 2.99Å; C139-C156 VanDerWaalsContact SG-SG 3.66Å
140K95.8Very high94.6Very high71 Ų7148 Ų4831%0.30923%0.231SC..THydrogen-bonded Turntrans56.632.8179.7-57.4-69.3-171.9166.30114.1A92 A97 E101 Y135 C136 Y137A92-K140 HydrophobicContact CB-CB 3.99Å; A92-K140 WeakPolarHBondContact CB-O 3.25Å; A97-K140 HydrophobicContact CB-CB 3.73Å; A97-K140 HydrophobicContact CB-CG 4.18Å; E101-K140 VanDerWaalsContact OE1-CD 3.3Å; E101-K140 WeakPolarHBondContact OE1-CD 3.42Å; E101-K140 WeakPolarHBondContact OE1-CE 3.35Å; E101-K140 IonicContact OE1-NZ 3.47Å; E101-K140 PolarHBondContact OE1-NZ 2.75Å; E101-K140 IonicContact OE2-NZ 2.87Å; Y135-K140 WeakPolarHBondContact OH-CD 3.42Å; C136-K140 VanDerWaalsContact O-CA 3.26Å; C136-K140 WeakPolarHBondContact O-CA 3.4Å; C136-K140 PolarHBondContact O-N 3.25Å; Y137-K140 VanDerWaalsContact O-CD 3.31Å; Y137-K140 WeakPolarHBondContact O-CD 3.41Å; Y137-K140 WeakPolarHBondContact O-CE 3.13Å
141I95.3Very high95Very high25 Ų2546.3 Ų46.313%0.12823%0.23CC..EExtended strand (participates in β ladder)trans-123149.717959173000111.2L89 A92 Y135 C136 C139 R143 C156L89-I141 HydrophobicContact CB-CD1 4.12Å; L89-I141 HydrophobicContact CD1-CD1 4.21Å; A92-I141 HydrophobicContact CB-CG2 3.87Å; Y135-I141 WeakPolarHBondContact CD2-O 3.24Å; C136-I141 HydrophobicContact CB-CG1 4.49Å; C136-I141 PolarHBondContact N-O 3.35Å; C139-I141 HydrophobicContact CB-CD1 4.25Å; C139-I141 HydrophobicContact CB-CG1 3.89Å; C139-I141 PolarHBondContact O-N 2.99Å; I141-R143 PolarHBondContact O-N 2.88Å; I141-C156 HydrophobicContact CD1-CB 4.13Å
142F95.7Very high95.5Very high26 Ų2648 Ų4811%0.11424%0.237CC..EExtended strand (participates in β ladder)trans-70.9114.5155.9-76.1-76.8000108.3I100 I104 R122 Y135 P144I100-F142 HydrophobicContact CG2-CD2 4.02Å; I100-F142 HydrophobicContact CG2-CE2 3.65Å; I104-F142 HydrophobicContact CD1-CE2 4.15Å; I104-F142 HydrophobicContact CD1-CZ 3.81Å; I104-F142 HydrophobicContact CG1-CE2 4.33Å; I104-F142 HydrophobicContact CG1-CZ 3.86Å; R122-F142 HydrophobicContact CB-CD1 3.82Å; R122-F142 HydrophobicContact CB-CE1 3.9Å; R122-F142 HydrophobicContact CB-CG 4.23Å; R122-F142 HydrophobicContact CB-CZ 4.36Å; Y135-F142 HydrophobicContact CD2-CD1 4.4Å; Y135-F142 HydrophobicContact CD2-CD2 4.42Å; Y135-F142 HydrophobicContact CD2-CE1 4.41Å; Y135-F142 HydrophobicContact CD2-CE2 4.45Å; Y135-F142 HydrophobicContact CD2-CG 4.41Å; Y135-F142 HydrophobicContact CD2-CZ 4.44Å; F142-P144 WeakPolarHBondContact O-CD 3.2Å
143R96.3Very high95.9Very high55 Ų5541.2 Ų41.221%0.20821%0.208CC..PPolyproline II helixtrans-60.2125.5-177.3-72.2172.3-89.9-172.3-13.8109.2L133 K134 Y135 C136 I141 A147L133-R143 WeakPolarHBondContact CD2-O 3.43Å; K134-R143 WeakPolarHBondContact O-CB 3.43Å; K134-R143 WeakPolarHBondContact O-CG 3.26Å; K134-R143 PolarHBondContact O-N 2.97Å; K134-R143 VanDerWaalsContact O-N 3.07Å; K134-R143 PolarHBondContact O-NE 2.99Å; Y135-R143 PolarHBondContact O-NH2 2.77Å; C136-R143 HydrophobicContact CB-CG 3.93Å; I141-R143 PolarHBondContact O-N 2.88Å; R143-A147 HydrophobicContact CB-CB 4.34Å
144P95.5Very high96.1Very high47 Ų4742 Ų4231%0.30521%0.212SC..PPolyproline II helixtrans-52.8159.7170.7-26.635.1000111.7L89 F142 R146 A147L89-P144 VanDerWaalsContact CD1-CD 3.48Å; L89-P144 HydrophobicContact CD1-CG 3.72Å; F142-P144 WeakPolarHBondContact O-CD 3.2Å; P144-R146 PolarHBondContact O-N 3.23Å; P144-A147 HydrophobicContact CB-CB 4.32Å; P144-A147 VanDerWaalsContact O-CB 3.25Å; P144-A147 WeakPolarHBondContact O-CB 3.35Å; P144-A147 PolarHBondContact O-N 2.88Å
145P94.8Very high96.4Very high40 Ų4036.3 Ų36.326%0.2619%0.188SC..THydrogen-bonded Turntrans-51.5139.3176.1-20.228.7000111.2V124 I126 V131 L133 A147 Y271V124-P145 HydrophobicContact CG2-CG 4.23Å; I126-P145 HydrophobicContact CD1-CB 3.57Å; I126-P145 HydrophobicContact CD1-CG 3.4Å; I126-P145 VanDerWaalsContact CD1-CG 3.4Å; V131-P145 HydrophobicContact CG1-CB 4.42Å; L133-P145 HydrophobicContact CD2-CB 4.46Å; L133-P145 HydrophobicContact CD2-CG 3.87Å; P145-A147 PolarHBondContact O-N 3.46Å; P145-Y271 WeakPolarHBondContact CB-OH 3.34Å
146R95.5Very high96.5Very high34 Ų3436.1 Ų36.113%0.12819%0.187CC..THydrogen-bonded Turntrans65-4.4-178.1-38.5179.670.51726.3115.6P144 F160 N250 E255 Y271P144-R146 PolarHBondContact O-N 3.23Å; R146-F160 PolarHBondContact O-N 3.27Å; R146-F160 VanDerWaalsContact O-N 3.13Å; R146-N250 PolarHBondContact NH1-OD1 3.43Å; R146-N250 PolarHBondContact NH2-O 3.46Å; R146-N250 PolarHBondContact NH2-OD1 3.46Å; R146-E255 WeakPolarHBondContact CD-OE1 3.27Å; R146-E255 WeakPolarHBondContact CG-OE1 3.24Å; R146-E255 IonicContact CZ-OE1 3.97Å; R146-E255 IonicContact CZ-OE2 2.74Å; R146-E255 IonicContact NE-OE1 3.79Å; R146-E255 PolarHBondContact NE-OE1 2.92Å; R146-E255 IonicContact NE-OE2 3.7Å; R146-E255 IonicContact NH2-OE1 2.77Å; R146-E255 IonicContact NH2-OE2 3.15Å; R146-E255 PolarHBondContact NH2-OE2 2.9Å; R146-Y271 HydrophobicContact CG-CD2 4.3Å; R146-Y271 HydrophobicContact CG-CE1 4.11Å; R146-Y271 HydrophobicContact CG-CE2 3.7Å
147A97.4Very high96.6Very high9 Ų935.9 Ų35.97%0.07419%0.185CC..  trans-76.3146.7174.100000111.5L89 R143 P144 P145 V157L89-A147 HydrophobicContact CD1-CB 3.88Å; R143-A147 HydrophobicContact CB-CB 4.34Å; P144-A147 HydrophobicContact CB-CB 4.32Å; P144-A147 VanDerWaalsContact O-CB 3.25Å; P144-A147 WeakPolarHBondContact O-CB 3.35Å; P144-A147 PolarHBondContact O-N 2.88Å; P145-A147 PolarHBondContact O-N 3.46Å; A147-V157 VanDerWaalsContact CA-O 3.23Å; A147-V157 WeakPolarHBondContact CA-O 3.3Å; A147-V157 WeakPolarHBondContact CB-O 3.36Å
148S97.6Very high96.8Very high11 Ų1130.6 Ų30.68%0.07717%0.166CC..EExtended strand (participates in β ladder)trans-142.1151.8174.5-69.40000111.2C156 V157 N254S148-C156 WeakPolarHBondContact O-CA 3.39Å; S148-V157 PolarHBondContact N-O 3.22Å; S148-V157 VanDerWaalsContact N-O 3.13Å; S148-V157 PolarHBondContact O-N 3.38Å; S148-N254 PolarHBondContact OG-ND2 3.27Å; S148-N254 VanDerWaalsContact OG-ND2 3.11Å
149H98.1Very high96.8Very high44 Ų4429 Ų2920%0.20415%0.153CC..EExtended strand (participates in β ladder)trans-85.6124.6176.2-175.489.1000109.3C136 D154C136-H149 PolarHBondContact SG-ND1 2.93Å; H149-D154 IonicContact CE1-OD1 4Å; H149-D154 IonicContact NE2-OD1 2.73Å
150C98.1Very high96.9Very high7 Ų730 Ų305%0.04716%0.158CC..EExtended strand (participates in β ladder)trans-96.6115.4171.6176.90000108.9I152 C153 D154 N155 F160C150-I152 VanDerWaalsContact C-N 3.27Å; C150-I152 PolarHBondContact O-N 3.23Å; C150-C153 HydrophobicContact CB-CB 4.38Å; C150-D154 VanDerWaalsContact O-CA 3.27Å; C150-D154 WeakPolarHBondContact O-CA 3.31Å; C150-D154 PolarHBondContact O-N 3Å; C150-N155 PolarHBondContact N-O 2.81Å; C150-N155 PolarHBondContact O-N 3.27Å; C150-F160 HydrophobicContact CB-CE2 3.97Å; C150-F160 HydrophobicContact CB-CZ 4.38Å
151S96.6Very high97.1Very high87 Ų8726.7 Ų26.761%0.60814%0.144SC*.THydrogen-bonded Turntrans-67.7-24.4179.953.20000113.9
152I96.7Very high97.2Very high58 Ų5827.3 Ų27.330%0.29715%0.146SC..THydrogen-bonded Turntrans-72.4-49.3178.8-58168.9000110.2K15 C150 D154 H163K15-I152 WeakPolarHBondContact CB-O 3.44Å; C150-I152 VanDerWaalsContact C-N 3.27Å; C150-I152 PolarHBondContact O-N 3.23Å; I152-D154 VanDerWaalsContact C-N 3.32Å; I152-H163 HydrophobicContact CD1-CB 4.23Å; I152-H163 VanDerWaalsContact CD1-CD2 3.45Å; I152-H163 WeakPolarHBondContact CD1-CD2 3.4Å; I152-H163 VanDerWaalsContact CG2-CE1 3.46Å; I152-H163 WeakPolarHBondContact CG2-CE1 3.21Å
153C97.3Very high97.3Very high1 Ų127.4 Ų27.41%0.00715%0.147CC..THydrogen-bonded Turntrans-81-14.4175.5-65.60000112.9K15 C150 N155 H163 C170K15-C153 PolarHBondContact N-O 3.36Å; C150-C153 HydrophobicContact CB-CB 4.38Å; C153-N155 VanDerWaalsContact C-N 3.31Å; C153-N155 PolarHBondContact O-N 2.77Å; C153-N155 PolarHBondContact O-ND2 3.15Å; C153-H163 VanDerWaalsContact SG-CE1 3.55Å; C153-H163 PolarHBondContact SG-ND1 3.01Å; C153-C170 PolarHBondContact SG-SG 3.37Å
154D97.9Very high97.4Very high34 Ų3425.2 Ų25.218%0.18214%0.14CC..THydrogen-bonded Turntrans55.842.6-176-168.148.8000113.3K15 R91 T138 H149 C150 I152K15-D154 HydrophobicContact CB-CB 4.19Å; K15-D154 HydrophobicContact CD-CB 3.92Å; K15-D154 HydrophobicContact CG-CB 3.74Å; R91-D154 IonicContact CZ-OD2 2.74Å; R91-D154 PolarHBondContact NH2-O 3.2Å; R91-D154 IonicContact NH2-OD1 2.74Å; R91-D154 IonicContact NH2-OD2 3.84Å; R91-D154 PolarHBondContact NH2-OD2 3.37Å; T138-D154 WeakPolarHBondContact CG2-OD1 3.4Å; H149-D154 IonicContact CE1-OD1 4Å; H149-D154 IonicContact NE2-OD1 2.73Å; C150-D154 VanDerWaalsContact O-CA 3.27Å; C150-D154 WeakPolarHBondContact O-CA 3.31Å; C150-D154 PolarHBondContact O-N 3Å; I152-D154 VanDerWaalsContact C-N 3.32Å
155N97.4Very high97.5Very high3 Ų325.1 Ų25.12%0.01614%0.139CC..EExtended strand (participates in β ladder)trans-145.4144.5-174.3-82.6-44.6000111.4P13 N16 V88 C150 C153P13-N155 PolarHBondContact O-ND2 2.91Å; P13-N155 PolarHBondContact O-OD1 3.22Å; N16-N155 PolarHBondContact OD1-ND2 2.91Å; V88-N155 HydrophobicContact CG1-CB 3.89Å; V88-N155 HydrophobicContact CG2-CB 4.04Å; C150-N155 PolarHBondContact N-O 2.81Å; C150-N155 PolarHBondContact O-N 3.27Å; C153-N155 VanDerWaalsContact C-N 3.31Å; C153-N155 PolarHBondContact O-N 2.77Å; C153-N155 PolarHBondContact O-ND2 3.15Å
156C98.4Very high97.6Very high0 Ų029.3 Ų29.30%015%0.15CC..EExtended strand (participates in β ladder)trans-75.6130.6163.5-79.30000109.5V88 L89 C139 I141 S148V88-C156 WeakPolarHBondContact CA-O 3.26Å; L89-C156 HydrophobicContact CB-CB 4.23Å; L89-C156 HydrophobicContact CD1-CB 4.24Å; L89-C156 PolarHBondContact N-O 2.79Å; C139-C156 VanDerWaalsContact SG-SG 3.66Å; I141-C156 HydrophobicContact CD1-CB 4.13Å; S148-C156 WeakPolarHBondContact O-CA 3.39Å
157V98.4Very high97.7Very high0 Ų027.7 Ų27.70%014%0.144CC..EExtended strand (participates in β ladder)trans-116.7130178.7-179.70000108.5P86 G87 V88 A147 S148 F160 C170P86-V157 HydrophobicContact CB-CG1 4.14Å; P86-V157 HydrophobicContact CG-CG1 4.27Å; P86-V157 HydrophobicContact CG-CG2 4.36Å; G87-V157 CarbonylContact O-C 3.53Å; G87-V157 WeakPolarHBondContact O-CA 3.37Å; V88-V157 HydrophobicContact CG2-CG2 4.28Å; A147-V157 VanDerWaalsContact CA-O 3.23Å; A147-V157 WeakPolarHBondContact CA-O 3.3Å; A147-V157 WeakPolarHBondContact CB-O 3.36Å; S148-V157 PolarHBondContact N-O 3.22Å; S148-V157 VanDerWaalsContact N-O 3.13Å; S148-V157 PolarHBondContact O-N 3.38Å; V157-F160 HydrophobicContact CB-CB 4.18Å; V157-F160 HydrophobicContact CB-CD2 3.88Å; V157-F160 HydrophobicContact CB-CG 4.49Å; V157-F160 HydrophobicContact CG1-CB 4.46Å; V157-F160 HydrophobicContact CG1-CD2 4.25Å; V157-F160 HydrophobicContact CG2-CD2 4.31Å; V157-F160 WeakPolarHBondContact O-CB 3.45Å; V157-C170 HydrophobicContact CG2-CB 4.19Å
158D97.8Very high97.7Very high30 Ų3027.3 Ų27.316%0.1614%0.14CC..THydrogen-bonded Turntrans-70.3141.9175.2-167.310.6000111G87 L89 F160 K173G87-D158 PolarHBondContact O-N 3.48Å; L89-D158 HydrophobicContact CD2-CB 4.09Å; L89-D158 HydrophobicContact CG-CB 4.28Å; D158-F160 PolarHBondContact O-N 2.72Å; D158-K173 HydrophobicContact CB-CB 4.34Å; D158-K173 HydrophobicContact CB-CD 4.17Å; D158-K173 WeakPolarHBondContact O-CB 3.29Å; D158-K173 PolarHBondContact O-N 3.33Å; D158-K173 WeakPolarHBondContact OD2-CD 3.37Å; D158-K173 WeakPolarHBondContact OD2-CE 3.43Å; D158-K173 IonicContact OD2-NZ 3.73Å; D158-K173 PolarHBondContact OD2-NZ 2.85Å
159R96.9Very high97.7Very high26 Ų2626.8 Ų26.810%0.09814%0.137CC..THydrogen-bonded Turntrans38.553.7-169.7-163.6-175.3-179.4-170.84.4111.1D161 G172 K173 N250 T252R159-D161 PolarHBondContact O-N 3.09Å; R159-G172 WeakPolarHBondContact O-CA 3.3Å; R159-K173 HydrophobicContact CB-CB 3.8Å; R159-K173 HydrophobicContact CB-CG 4.24Å; R159-N250 PolarHBondContact NH2-OD1 3.5Å; R159-T252 HydrophobicContact CG-CG2 3.78Å
160F98.4Very high97.8Very high21 Ų2124.7 Ų24.79%0.09213%0.127CC..  trans-63.9125.3-175173.6-100.6000110.1R146 C150 V157 D158 H162 C170 N254R146-F160 PolarHBondContact O-N 3.27Å; R146-F160 VanDerWaalsContact O-N 3.13Å; C150-F160 HydrophobicContact CB-CE2 3.97Å; C150-F160 HydrophobicContact CB-CZ 4.38Å; V157-F160 HydrophobicContact CB-CB 4.18Å; V157-F160 HydrophobicContact CB-CD2 3.88Å; V157-F160 HydrophobicContact CB-CG 4.49Å; V157-F160 HydrophobicContact CG1-CB 4.46Å; V157-F160 HydrophobicContact CG1-CD2 4.25Å; V157-F160 HydrophobicContact CG2-CD2 4.31Å; V157-F160 WeakPolarHBondContact O-CB 3.45Å; D158-F160 PolarHBondContact O-N 2.72Å; F160-H162 VanDerWaalsContact CZ-C 3.47Å; F160-C170 HydrophobicContact CE2-CB 4.41Å; F160-N254 HydrophobicContact CD1-CB 4.01Å; F160-N254 HydrophobicContact CE1-CB 4.4Å; F160-N254 WeakPolarHBondContact O-CB 3.35Å
161D98.5Very high97.8Very high2 Ų224.4 Ų24.41%0.01113%0.125CC..  trans-98.1-63.2178.9-166.171.9000110.6R159 V171 Y176 H243 T252 T253 N254R159-D161 PolarHBondContact O-N 3.09Å; D161-V171 HydrophobicContact CB-CB 4.39Å; D161-V171 HydrophobicContact CB-CG1 4.31Å; D161-V171 WeakPolarHBondContact CB-O 3.33Å; D161-V171 PolarHBondContact N-O 2.92Å; D161-Y176 HydrophobicContact CB-CD2 3.95Å; D161-Y176 HydrophobicContact CB-CE2 4.07Å; D161-Y176 VanDerWaalsContact CG-CE2 3.42Å; D161-Y176 WeakPolarHBondContact OD1-CE2 3.43Å; D161-H243 IonicContact OD2-CE1 3.24Å; D161-H243 PolarHBondContact OD2-CE1 3.46Å; D161-T252 WeakPolarHBondContact OD1-CA 3.39Å; D161-T252 VanDerWaalsContact OD1-CB 3.24Å; D161-T252 WeakPolarHBondContact OD1-CB 3.25Å; D161-T253 PolarHBondContact OD1-N 3.48Å; D161-T253 PolarHBondContact OD2-OG1 2.91Å; D161-N254 VanDerWaalsContact O-CB 3.26Å; D161-N254 WeakPolarHBondContact O-CB 3.38Å; D161-N254 PolarHBondContact O-N 2.9Å
162H98.3Very high97.9Very high39 Ų3920.2 Ų20.218%0.18110%0.096CC..EExtended strand (participates in β ladder)trans-163170.3173.562.1-79.3000111.3F160 C164 V171 F179F160-H162 VanDerWaalsContact CZ-C 3.47Å; H162-C164 WeakPolarHBondContact NE2-CB 3.45Å; H162-V171 PolarHBondContact N-O 3.3Å; H162-V171 PolarHBondContact O-N 3.5Å; H162-F179 AromaticContact CE1-CE1 3.84Å; H162-F179 AromaticContact CE1-CZ 3.63Å; H162-F179 AromaticContact NE2-CZ 3.85Å
163H98.3Very high97.9Very high28 Ų2820.3 Ų20.313%0.139%0.094CC..EExtended strand (participates in β ladder)trans-93.2124.6163.7-176.489.9000108.6I152 C153 C170I152-H163 HydrophobicContact CD1-CB 4.23Å; I152-H163 VanDerWaalsContact CD1-CD2 3.45Å; I152-H163 WeakPolarHBondContact CD1-CD2 3.4Å; I152-H163 VanDerWaalsContact CG2-CE1 3.46Å; I152-H163 WeakPolarHBondContact CG2-CE1 3.21Å; C153-H163 VanDerWaalsContact SG-CE1 3.55Å; C153-H163 PolarHBondContact SG-ND1 3.01Å; H163-C170 PolarHBondContact ND1-SG 2.9Å
164C97.8Very high97.9Very high9 Ų923 Ų236%0.06110%0.104CC..EExtended strand (participates in β ladder)trans-113.2110.1-176.4-176.40000110.8H162 W166 V167 G168 N169 V171H162-C164 WeakPolarHBondContact NE2-CB 3.45Å; C164-W166 VanDerWaalsContact C-N 3.27Å; C164-W166 PolarHBondContact O-N 3.37Å; C164-V167 HydrophobicContact CB-CG2 3.63Å; C164-V167 PolarHBondContact O-N 3.05Å; C164-G168 PolarHBondContact O-N 3.4Å; C164-G168 VanDerWaalsContact O-N 3.08Å; C164-N169 PolarHBondContact N-O 3.46Å; C164-N169 PolarHBondContact O-N 2.88Å; C164-V171 HydrophobicContact CB-CG2 3.98Å
165P97.3Very high97.8Very high45 Ų4521.4 Ų21.429%0.29210%0.096SC..THydrogen-bonded Turntrans-64.8-31.5177.2-21.533.1000113.2I32 F33 G168I32-P165 HydrophobicContact CB-CB 4.08Å; I32-P165 HydrophobicContact CD1-CB 3.63Å; I32-P165 HydrophobicContact CG1-CB 4.36Å; I32-P165 HydrophobicContact CG2-CB 4.29Å; F33-P165 PolarHBondContact N-O 3.5Å; P165-G168 PolarHBondContact O-N 2.96Å; P165-G168 VanDerWaalsContact O-N 3.1Å
166W97.4Very high97.9Very high128 Ų12821.9 Ų21.949%0.48510%0.097SC..THydrogen-bonded Turntrans-65.7-36.4180-59.598000113I32 F33 L35 T36 C164I32-W166 HydrophobicContact CG2-CB 4.48Å; I32-W166 HydrophobicContact CG2-CD2 3.53Å; I32-W166 HydrophobicContact CG2-CE3 3.51Å; I32-W166 HydrophobicContact CG2-CG 4Å; I32-W166 HydrophobicContact CG2-CH2 4.33Å; I32-W166 HydrophobicContact CG2-CZ2 4.36Å; I32-W166 HydrophobicContact CG2-CZ3 3.92Å; F33-W166 WeakPolarHBondContact CA-O 3.22Å; L35-W166 HydrophobicContact CD2-CZ3 4.19Å; T36-W166 PolarHBondContact OG1-O 3Å; C164-W166 VanDerWaalsContact C-N 3.27Å; C164-W166 PolarHBondContact O-N 3.37Å
167V97.7Very high97.8Very high0 Ų024.4 Ų24.40%011%0.107CC..THydrogen-bonded Turntrans-90-7.3172.2-49.60000112.2L78 T81 S82 C164 N169 V171 F179 F182L78-V167 HydrophobicContact CD1-CB 4.49Å; L78-V167 HydrophobicContact CD1-CG1 4.24Å; T81-V167 HydrophobicContact CG2-CB 4.17Å; T81-V167 HydrophobicContact CG2-CG1 4.12Å; T81-V167 HydrophobicContact CG2-CG2 4.16Å; S82-V167 WeakPolarHBondContact CA-O 3.49Å; S82-V167 WeakPolarHBondContact CB-O 3.27Å; S82-V167 PolarHBondContact OG-O 2.92Å; C164-V167 HydrophobicContact CB-CG2 3.63Å; C164-V167 PolarHBondContact O-N 3.05Å; V167-N169 VanDerWaalsContact C-N 3.28Å; V167-N169 HydrophobicContact CG2-CB 4.28Å; V167-N169 PolarHBondContact O-N 3.13Å; V167-V171 HydrophobicContact CG2-CG2 4.4Å; V167-F179 HydrophobicContact CG1-CD2 4.14Å; V167-F179 HydrophobicContact CG1-CE2 4.41Å; V167-F182 HydrophobicContact CG1-CD1 4.44Å; V167-F182 HydrophobicContact CG1-CE1 4.22Å
168G97.4Very high97.8Very high0 Ų025.7 Ų25.70%011%0.112CC..THydrogen-bonded Turntrans65.128.5-178.900000113.7A27 C164 P165A27-G168 VanDerWaalsContact CB-O 3.31Å; A27-G168 WeakPolarHBondContact CB-O 3.39Å; A27-G168 PolarHBondContact N-O 2.96Å; C164-G168 PolarHBondContact O-N 3.4Å; C164-G168 VanDerWaalsContact O-N 3.08Å; P165-G168 PolarHBondContact O-N 2.96Å; P165-G168 VanDerWaalsContact O-N 3.1Å
169N98.1Very high97.8Very high0 Ų024.5 Ų24.50%011%0.105CC..EExtended strand (participates in β ladder)trans-158.6167.9-178.2-155.6-3.4000112.1M25 S82 S84 C164 V167M25-N169 PolarHBondContact O-ND2 3.46Å; S82-N169 PolarHBondContact O-ND2 3.4Å; S84-N169 PolarHBondContact O-ND2 2.93Å; C164-N169 PolarHBondContact N-O 3.46Å; C164-N169 PolarHBondContact O-N 2.88Å; V167-N169 VanDerWaalsContact C-N 3.28Å; V167-N169 HydrophobicContact CG2-CB 4.28Å; V167-N169 PolarHBondContact O-N 3.13Å
170C98.4Very high97.9Very high1 Ų124.2 Ų24.21%0.00710%0.104CC..EExtended strand (participates in β ladder)trans-69.5149.2164.6-71.90000110.7P86 C153 V157 F160 H163 N175P86-C170 HydrophobicContact CB-CB 4.07Å; P86-C170 WeakPolarHBondContact CB-O 3.27Å; P86-C170 HydrophobicContact CG-CB 3.97Å; C153-C170 PolarHBondContact SG-SG 3.37Å; V157-C170 HydrophobicContact CG2-CB 4.19Å; F160-C170 HydrophobicContact CE2-CB 4.41Å; H163-C170 PolarHBondContact ND1-SG 2.9Å; C170-N175 PolarHBondContact O-ND2 2.87Å
171V98.6Very high97.9Very high0 Ų025.7 Ų25.70%011%0.113CC..EExtended strand (participates in β ladder)trans-104.6125.2165.9-172.70000107.5D161 H162 C164 V167 N175 Y176 F179D161-V171 HydrophobicContact CB-CB 4.39Å; D161-V171 HydrophobicContact CB-CG1 4.31Å; D161-V171 WeakPolarHBondContact CB-O 3.33Å; D161-V171 PolarHBondContact N-O 2.92Å; H162-V171 PolarHBondContact N-O 3.3Å; H162-V171 PolarHBondContact O-N 3.5Å; C164-V171 HydrophobicContact CB-CG2 3.98Å; V167-V171 HydrophobicContact CG2-CG2 4.4Å; V171-N175 WeakPolarHBondContact CA-OD1 3.12Å; V171-Y176 HydrophobicContact CG1-CD2 3.69Å; V171-Y176 HydrophobicContact CG1-CG 4.39Å; V171-F179 HydrophobicContact CG1-CB 3.78Å; V171-F179 HydrophobicContact CG1-CD1 3.92Å; V171-F179 HydrophobicContact CG1-CD2 4.47Å; V171-F179 HydrophobicContact CG1-CG 3.78Å; V171-F179 HydrophobicContact CG2-CB 4.33Å; V171-F179 HydrophobicContact CG2-CD2 3.78Å; V171-F179 HydrophobicContact CG2-CE2 4.22Å; V171-F179 HydrophobicContact CG2-CG 3.94Å
172G98Very high97.9Very high0 Ų026 Ų260%011%0.114CC..  trans-157.4-165.4-177.100000112.1P86 R159 R174 N175 Y176P86-G172 CarbonylContact O-C 3.34Å; R159-G172 WeakPolarHBondContact O-CA 3.3Å; G172-R174 VanDerWaalsContact C-N 3.25Å; G172-R174 PolarHBondContact O-N 3.43Å; G172-N175 PolarHBondContact N-OD1 3.19Å; G172-N175 PolarHBondContact O-N 3.48Å; G172-N175 PolarHBondContact O-OD1 3.46Å; G172-Y176 VanDerWaalsContact O-CB 3.24Å; G172-Y176 WeakPolarHBondContact O-CB 3.29Å; G172-Y176 PolarHBondContact O-N 3.28Å
173K97.1Very high97.9Very high59 Ų5924.2 Ų24.226%0.25711%0.106SC..THydrogen-bonded Turntrans-46.3-42.4-170.6-168.8171.7-175.5-178.80115.4P86 D158 R159 Y289P86-K173 PolarHBondContact O-N 3.35Å; P86-K173 VanDerWaalsContact O-N 3.16Å; D158-K173 HydrophobicContact CB-CB 4.34Å; D158-K173 HydrophobicContact CB-CD 4.17Å; D158-K173 WeakPolarHBondContact O-CB 3.29Å; D158-K173 PolarHBondContact O-N 3.33Å; D158-K173 WeakPolarHBondContact OD2-CD 3.37Å; D158-K173 WeakPolarHBondContact OD2-CE 3.43Å; D158-K173 IonicContact OD2-NZ 3.73Å; D158-K173 PolarHBondContact OD2-NZ 2.85Å; R159-K173 HydrophobicContact CB-CB 3.8Å; R159-K173 HydrophobicContact CB-CG 4.24Å; K173-Y289 HydrophobicContact CD-CD1 4.33Å; K173-Y289 HydrophobicContact CD-CD2 4.33Å; K173-Y289 HydrophobicContact CD-CG 4.19Å; K173-Y289 HydrophobicContact CG-CD2 3.65Å; K173-Y289 HydrophobicContact CG-CE2 3.92Å; K173-Y289 HydrophobicContact CG-CG 3.97Å
174R97Very high97.9Very high59 Ų5925.5 Ų25.522%0.22311%0.113CC..THydrogen-bonded Turntrans-86.1-25.6-170.1-69.2176.552.874.64.8113.9D85 P86 G172 Y289 P290D85-R174 WeakPolarHBondContact O-CB 3.32Å; D85-R174 WeakPolarHBondContact O-CD 3.46Å; D85-R174 PolarHBondContact O-NE 3.33Å; D85-R174 VanDerWaalsContact O-NE 3.09Å; D85-R174 VanDerWaalsContact OD2-CD 3.31Å; D85-R174 WeakPolarHBondContact OD2-CD 3.36Å; D85-R174 IonicContact OD2-CZ 3.78Å; D85-R174 IonicContact OD2-NE 2.64Å; D85-R174 PolarHBondContact OD2-NE 3.06Å; D85-R174 VanDerWaalsContact OD2-NE 3.15Å; P86-R174 PolarHBondContact O-N 2.95Å; G172-R174 VanDerWaalsContact C-N 3.25Å; G172-R174 PolarHBondContact O-N 3.43Å; R174-Y289 PolarHBondContact NH1-O 3.3Å; R174-P290 PolarHBondContact NH1-O 3.43Å
175N97.6Very high97.9Very high0 Ų025.7 Ų25.70%011%0.114CC..THydrogen-bonded Turntrans-118.5-5.9-174.569.5-15.6000114.6T81 C170 V171 G172 R177 Y178 F179T81-N175 PolarHBondContact O-ND2 3.24Å; T81-N175 VanDerWaalsContact O-ND2 3.1Å; C170-N175 PolarHBondContact O-ND2 2.87Å; V171-N175 WeakPolarHBondContact CA-OD1 3.12Å; G172-N175 PolarHBondContact N-OD1 3.19Å; G172-N175 PolarHBondContact O-N 3.48Å; G172-N175 PolarHBondContact O-OD1 3.46Å; N175-R177 VanDerWaalsContact C-N 3.31Å; N175-R177 PolarHBondContact O-N 3.29Å; N175-Y178 HydrophobicContact CB-CD2 4.43Å; N175-Y178 PolarHBondContact O-N 2.92Å; N175-F179 PolarHBondContact O-N 3.48Å
176Y97.9Very high98Very high12 Ų1224.2 Ų24.25%0.04710%0.104CC..Hα-helixtrans-54-42.3-179.7-173.3-92.5000113.7D161 V171 G172 Y178 F179 Y180 H243 I247 V283D161-Y176 HydrophobicContact CB-CD2 3.95Å; D161-Y176 HydrophobicContact CB-CE2 4.07Å; D161-Y176 VanDerWaalsContact CG-CE2 3.42Å; D161-Y176 WeakPolarHBondContact OD1-CE2 3.43Å; V171-Y176 HydrophobicContact CG1-CD2 3.69Å; V171-Y176 HydrophobicContact CG1-CG 4.39Å; G172-Y176 VanDerWaalsContact O-CB 3.24Å; G172-Y176 WeakPolarHBondContact O-CB 3.29Å; G172-Y176 PolarHBondContact O-N 3.28Å; Y176-Y178 VanDerWaalsContact C-N 3.29Å; Y176-Y178 PolarHBondContact O-N 3.23Å; Y176-F179 WeakPolarHBondContact O-CB 3.38Å; Y176-F179 PolarHBondContact O-N 3.34Å; Y176-Y180 PolarHBondContact O-N 2.89Å; Y176-H243 AromaticContact CE2-ND1 3.78Å; Y176-H243 AromaticContact CZ-ND1 3.74Å; Y176-H243 PolarHBondContact OH-ND1 3.06Å; Y176-H243 VanDerWaalsContact OH-ND1 3.13Å; Y176-I247 HydrophobicContact CE1-CD1 3.95Å; Y176-I247 HydrophobicContact CE1-CG1 3.72Å; Y176-V283 HydrophobicContact CD1-CG1 3.68Å; Y176-V283 HydrophobicContact CE1-CG1 3.87Å
177R97.3Very high98Very high54 Ų5418.4 Ų18.420%0.2048%0.083CC..Hα-helixtrans-59.7-38.7176.767-176.7163154.9-6.1113.2N175 L181 V283 T288N175-R177 VanDerWaalsContact C-N 3.31Å; N175-R177 PolarHBondContact O-N 3.29Å; R177-L181 WeakPolarHBondContact O-CB 3.15Å; R177-L181 VanDerWaalsContact O-CG 3.29Å; R177-L181 WeakPolarHBondContact O-CG 3.46Å; R177-L181 PolarHBondContact O-N 2.87Å; R177-V283 WeakPolarHBondContact CB-O 3.12Å; R177-T288 VanDerWaalsContact CZ-CG2 3.46Å
178Y98.1Very high98.1Very high27 Ų2722.5 Ų22.511%0.10610%0.104CC..Hα-helixtrans-74.7-35.9-180-56.3-58.1000110M77 R80 T81 N175 Y176 L181 F182M77-Y178 HydrophobicContact SD-CD1 4Å; R80-Y178 HydrophobicContact CB-CD1 4.27Å; R80-Y178 HydrophobicContact CB-CD2 4.26Å; R80-Y178 HydrophobicContact CB-CG 4.02Å; R80-Y178 PolarHBondContact NH2-OH 2.93Å; T81-Y178 VanDerWaalsContact OG1-CB 3.25Å; T81-Y178 WeakPolarHBondContact OG1-CB 3.17Å; T81-Y178 PolarHBondContact OG1-O 3.21Å; N175-Y178 HydrophobicContact CB-CD2 4.43Å; N175-Y178 PolarHBondContact O-N 2.92Å; Y176-Y178 VanDerWaalsContact C-N 3.29Å; Y176-Y178 PolarHBondContact O-N 3.23Å; Y178-L181 PolarHBondContact O-N 3.47Å; Y178-F182 WeakPolarHBondContact O-CB 3.32Å; Y178-F182 PolarHBondContact O-N 3.04Å
179F98.5Very high98.1Very high4 Ų422.7 Ų22.72%0.01811%0.105CC..Hα-helixtrans-60.1-48.2173.4170.2-99.6000110.8T81 H162 V167 V171 N175 Y176 F182 T183 L239 H243T81-F179 HydrophobicContact CG2-CB 3.67Å; T81-F179 HydrophobicContact CG2-CD2 4.23Å; T81-F179 HydrophobicContact CG2-CG 4.45Å; T81-F179 WeakPolarHBondContact OG1-CA 3.47Å; T81-F179 PolarHBondContact OG1-N 2.94Å; H162-F179 AromaticContact CE1-CE1 3.84Å; H162-F179 AromaticContact CE1-CZ 3.63Å; H162-F179 AromaticContact NE2-CZ 3.85Å; V167-F179 HydrophobicContact CG1-CD2 4.14Å; V167-F179 HydrophobicContact CG1-CE2 4.41Å; V171-F179 HydrophobicContact CG1-CB 3.78Å; V171-F179 HydrophobicContact CG1-CD1 3.92Å; V171-F179 HydrophobicContact CG1-CD2 4.47Å; V171-F179 HydrophobicContact CG1-CG 3.78Å; V171-F179 HydrophobicContact CG2-CB 4.33Å; V171-F179 HydrophobicContact CG2-CD2 3.78Å; V171-F179 HydrophobicContact CG2-CE2 4.22Å; V171-F179 HydrophobicContact CG2-CG 3.94Å; N175-F179 PolarHBondContact O-N 3.48Å; Y176-F179 WeakPolarHBondContact O-CB 3.38Å; Y176-F179 PolarHBondContact O-N 3.34Å; F179-F182 WeakPolarHBondContact O-CB 3.38Å; F179-F182 PolarHBondContact O-N 3.07Å; F179-T183 HydrophobicContact CD2-CG2 4.45Å; F179-T183 HydrophobicContact CE1-CG2 4.2Å; F179-T183 HydrophobicContact CE2-CG2 3.95Å; F179-T183 HydrophobicContact CZ-CG2 3.82Å; F179-T183 PolarHBondContact O-N 3.04Å; F179-T183 PolarHBondContact O-OG1 2.84Å; F179-L239 HydrophobicContact CZ-CD2 4.34Å; F179-H243 AromaticContact CE1-CD2 3.8Å; F179-H243 AromaticContact CE1-CE1 3.58Å; F179-H243 AromaticContact CE1-ND1 3.86Å; F179-H243 AromaticContact CE1-NE2 3.52Å; F179-H243 AromaticContact CZ-NE2 3.93Å
180Y98.4Very high98.1Very high21 Ų2123.2 Ų23.28%0.08211%0.109CC..Hα-helixtrans-64.3-45178177.5-102.3000112.6Y176 F182 T183 L184 H243 T244 I247 L284Y176-Y180 PolarHBondContact O-N 2.89Å; Y180-F182 VanDerWaalsContact C-N 3.27Å; Y180-F182 PolarHBondContact O-N 3.32Å; Y180-T183 PolarHBondContact O-N 2.98Å; Y180-T183 PolarHBondContact O-OG1 3.19Å; Y180-L184 HydrophobicContact CE1-CD2 4.19Å; Y180-L184 VanDerWaalsContact O-CB 3.28Å; Y180-L184 WeakPolarHBondContact O-CB 2.92Å; Y180-L184 PolarHBondContact O-N 3.09Å; Y180-H243 HydrophobicContact CD2-CB 3.95Å; Y180-H243 HydrophobicContact CE2-CB 4.33Å; Y180-T244 WeakPolarHBondContact CE2-OG1 3.44Å; Y180-T244 PolarHBondContact OH-OG1 2.96Å; Y180-I247 HydrophobicContact CD1-CD1 3.94Å; Y180-I247 HydrophobicContact CD2-CD1 3.4Å; Y180-I247 VanDerWaalsContact CD2-CD1 3.4Å; Y180-I247 HydrophobicContact CE1-CD1 4.11Å; Y180-I247 HydrophobicContact CE2-CD1 3.61Å; Y180-I247 HydrophobicContact CG-CD1 3.55Å; Y180-L284 HydrophobicContact CD1-CD2 3.42Å; Y180-L284 VanDerWaalsContact CD1-CD2 3.42Å; Y180-L284 HydrophobicContact CE1-CD1 4.25Å; Y180-L284 HydrophobicContact CE1-CD2 3.7Å; Y180-L284 HydrophobicContact CG-CD2 4.46Å
181L98.3Very high98Very high51 Ų5126.8 Ų26.827%0.26713%0.127SC..Hα-helixtrans-63.1-36.1175.7-71.4173.9000111.5M77 R177 Y178 T185M77-L181 HydrophobicContact CG-CB 3.93Å; M77-L181 HydrophobicContact SD-CB 3.86Å; M77-L181 HydrophobicContact SD-CD1 3.97Å; R177-L181 WeakPolarHBondContact O-CB 3.15Å; R177-L181 VanDerWaalsContact O-CG 3.29Å; R177-L181 WeakPolarHBondContact O-CG 3.46Å; R177-L181 PolarHBondContact O-N 2.87Å; Y178-L181 PolarHBondContact O-N 3.47Å; L181-T185 WeakPolarHBondContact O-CB 3.4Å; L181-T185 WeakPolarHBondContact O-CG2 3.37Å; L181-T185 PolarHBondContact O-N 3.44Å; L181-T185 PolarHBondContact O-OG1 2.92Å
182F98.6Very high98Very high9 Ų928.8 Ų28.84%0.03914%0.135CC..Hα-helixtrans-61.3-52.9172.4161.2-112.3000111.2T36 I40 V74 M77 L78 V167 Y178 F179 Y180 L184 T185 L186T36-F182 HydrophobicContact CG2-CZ 4.39Å; I40-F182 HydrophobicContact CD1-CE2 3.97Å; I40-F182 HydrophobicContact CD1-CZ 4.33Å; V74-F182 HydrophobicContact CG1-CD2 4.15Å; V74-F182 HydrophobicContact CG1-CE2 4.1Å; M77-F182 HydrophobicContact CB-CB 3.72Å; L78-F182 HydrophobicContact CB-CD2 3.68Å; L78-F182 HydrophobicContact CB-CE2 3.78Å; L78-F182 HydrophobicContact CB-CG 4.35Å; L78-F182 HydrophobicContact CD1-CD2 4.39Å; L78-F182 HydrophobicContact CD1-CE1 4.18Å; L78-F182 HydrophobicContact CD1-CE2 3.99Å; L78-F182 HydrophobicContact CD1-CZ 3.87Å; L78-F182 HydrophobicContact CD2-CE2 4.3Å; L78-F182 HydrophobicContact CG-CE2 4.22Å; V167-F182 HydrophobicContact CG1-CD1 4.44Å; V167-F182 HydrophobicContact CG1-CE1 4.22Å; Y178-F182 WeakPolarHBondContact O-CB 3.32Å; Y178-F182 PolarHBondContact O-N 3.04Å; F179-F182 WeakPolarHBondContact O-CB 3.38Å; F179-F182 PolarHBondContact O-N 3.07Å; Y180-F182 VanDerWaalsContact C-N 3.27Å; Y180-F182 PolarHBondContact O-N 3.32Å; F182-L184 VanDerWaalsContact C-N 3.35Å; F182-L184 PolarHBondContact O-N 3.47Å; F182-T185 PolarHBondContact O-N 3.41Å; F182-L186 HydrophobicContact CE1-CD2 4.44Å; F182-L186 HydrophobicContact CE2-CB 4.26Å; F182-L186 HydrophobicContact CE2-CD2 3.83Å; F182-L186 HydrophobicContact CZ-CD2 3.64Å; F182-L186 WeakPolarHBondContact O-CB 3.26Å; F182-L186 PolarHBondContact O-N 2.95Å
183T98.3Very high97.9Very high1 Ų129 Ų291%0.00614%0.136CC..Hα-helixtrans-62.5-43.1-179.655.40000111.5F179 Y180 L186 S187 L239 T240F179-T183 HydrophobicContact CD2-CG2 4.45Å; F179-T183 HydrophobicContact CE1-CG2 4.2Å; F179-T183 HydrophobicContact CE2-CG2 3.95Å; F179-T183 HydrophobicContact CZ-CG2 3.82Å; F179-T183 PolarHBondContact O-N 3.04Å; F179-T183 PolarHBondContact O-OG1 2.84Å; Y180-T183 PolarHBondContact O-N 2.98Å; Y180-T183 PolarHBondContact O-OG1 3.19Å; T183-L186 PolarHBondContact O-N 3.47Å; T183-S187 PolarHBondContact O-N 3.27Å; T183-S187 PolarHBondContact O-OG 2.65Å; T183-L239 HydrophobicContact CG2-CD2 3.88Å; T183-L239 HydrophobicContact CG2-CG 4.4Å; T183-T240 PolarHBondContact O-OG1 3.16Å; T183-T240 VanDerWaalsContact O-OG1 3.1Å
184L98.4Very high97.9Very high55 Ų5528.6 Ų28.629%0.28813%0.134SC..Hα-helixtrans-61.5-51.4178.6176.163.2000111.6Y180 F182 S187 L188 T240Y180-L184 HydrophobicContact CE1-CD2 4.19Å; Y180-L184 VanDerWaalsContact O-CB 3.28Å; Y180-L184 WeakPolarHBondContact O-CB 2.92Å; Y180-L184 PolarHBondContact O-N 3.09Å; F182-L184 VanDerWaalsContact C-N 3.35Å; F182-L184 PolarHBondContact O-N 3.47Å; L184-S187 WeakPolarHBondContact O-CB 3.25Å; L184-S187 PolarHBondContact O-N 3.34Å; L184-L188 WeakPolarHBondContact O-CG 3.43Å; L184-L188 PolarHBondContact O-N 3.43Å; L184-T240 HydrophobicContact CB-CG2 4.18Å; L184-T240 HydrophobicContact CD1-CG2 3.82Å
185T98.4Very high97.9Very high13 Ų1328 Ų288%0.0814%0.142CC..Hα-helixtrans-74.1-28-177.656.10000113F73 V74 L181 F182 L188 L189F73-T185 HydrophobicContact CD1-CG2 3.49Å; F73-T185 VanDerWaalsContact CD1-CG2 3.49Å; F73-T185 HydrophobicContact CE1-CG2 3.42Å; F73-T185 VanDerWaalsContact CE1-CG2 3.42Å; V74-T185 VanDerWaalsContact CG2-C 3.47Å; V74-T185 WeakPolarHBondContact CG2-O 3.25Å; L181-T185 WeakPolarHBondContact O-CB 3.4Å; L181-T185 WeakPolarHBondContact O-CG2 3.37Å; L181-T185 PolarHBondContact O-N 3.44Å; L181-T185 PolarHBondContact O-OG1 2.92Å; F182-T185 PolarHBondContact O-N 3.41Å; T185-L188 PolarHBondContact O-N 2.94Å; T185-L189 WeakPolarHBondContact O-CB 3.34Å; T185-L189 PolarHBondContact O-N 2.92Å
186L98.3Very high97.8Very high14 Ų1429.9 Ų29.97%0.07315%0.15CC..Hα-helixtrans-65.3-42.5168.3-179.360.6000110.8I40 V74 F182 T183 L188 L189 T190 M236I40-L186 HydrophobicContact CD1-CD1 4.22Å; I40-L186 HydrophobicContact CD1-CD2 4.44Å; I40-L186 HydrophobicContact CG1-CD1 4.09Å; V74-L186 HydrophobicContact CG1-CB 4.33Å; V74-L186 HydrophobicContact CG1-CD1 4.16Å; F182-L186 HydrophobicContact CE1-CD2 4.44Å; F182-L186 HydrophobicContact CE2-CB 4.26Å; F182-L186 HydrophobicContact CE2-CD2 3.83Å; F182-L186 HydrophobicContact CZ-CD2 3.64Å; F182-L186 WeakPolarHBondContact O-CB 3.26Å; F182-L186 PolarHBondContact O-N 2.95Å; T183-L186 PolarHBondContact O-N 3.47Å; L186-L188 VanDerWaalsContact C-N 3.32Å; L186-L188 PolarHBondContact O-N 3.41Å; L186-L189 PolarHBondContact O-N 2.95Å; L186-T190 WeakPolarHBondContact O-CB 3.23Å; L186-T190 PolarHBondContact O-N 3.3Å; L186-T190 PolarHBondContact O-OG1 2.91Å; L186-M236 HydrophobicContact CD2-CG 4.04Å; L186-M236 HydrophobicContact CD2-SD 3.7Å; L186-M236 HydrophobicContact CG-CG 4.29Å
187S98.3Very high97.6Very high6 Ų629.3 Ų29.34%0.04215%0.148CC..Hα-helixtrans-57.2-46172.4-60.50000111.4T183 L184 T190 I191 M236 T240T183-S187 PolarHBondContact O-N 3.27Å; T183-S187 PolarHBondContact O-OG 2.65Å; L184-S187 WeakPolarHBondContact O-CB 3.25Å; L184-S187 PolarHBondContact O-N 3.34Å; S187-T190 PolarHBondContact O-N 2.87Å; S187-I191 WeakPolarHBondContact O-CB 3.36Å; S187-I191 WeakPolarHBondContact O-CD1 3.29Å; S187-I191 WeakPolarHBondContact O-CG1 3.32Å; S187-I191 PolarHBondContact O-N 2.87Å; S187-M236 PolarHBondContact OG-O 2.83Å; S187-T240 PolarHBondContact OG-OG1 3.45Å
188L98.3Very high97.4Very high87 Ų8730.2 Ų30.246%0.45516%0.156SC..Hα-helixtrans-63.6-43.5178.1-66.7174.6000112.3L184 T185 L186 I191 Y192L184-L188 WeakPolarHBondContact O-CG 3.43Å; L184-L188 PolarHBondContact O-N 3.43Å; T185-L188 PolarHBondContact O-N 2.94Å; L186-L188 VanDerWaalsContact C-N 3.32Å; L186-L188 PolarHBondContact O-N 3.41Å; L188-I191 PolarHBondContact O-N 3.27Å; L188-Y192 VanDerWaalsContact O-CB 3.25Å; L188-Y192 WeakPolarHBondContact O-CB 3.42Å; L188-Y192 PolarHBondContact O-N 3.13Å
189L98.3Very high97.2Very high4 Ų431.5 Ų31.52%0.02117%0.166CC..Hα-helixtrans-62.9-44.8176.9178.761.9000111.5L70 V74 T185 L186 Y192 I193L70-L189 HydrophobicContact CB-CD1 3.97Å; V74-L189 HydrophobicContact CB-CD2 4.3Å; V74-L189 HydrophobicContact CG1-CD2 4.46Å; V74-L189 HydrophobicContact CG2-CB 4.21Å; V74-L189 HydrophobicContact CG2-CD2 3.96Å; T185-L189 WeakPolarHBondContact O-CB 3.34Å; T185-L189 PolarHBondContact O-N 2.92Å; L186-L189 PolarHBondContact O-N 2.95Å; L189-Y192 WeakPolarHBondContact O-CB 3.5Å; L189-Y192 PolarHBondContact O-N 2.77Å; L189-I193 HydrophobicContact CD1-CD1 3.89Å; L189-I193 HydrophobicContact CD1-CG1 4.2Å; L189-I193 HydrophobicContact CG-CD1 4.02Å; L189-I193 WeakPolarHBondContact O-CG1 3.37Å; L189-I193 PolarHBondContact O-N 3.4Å
190T97.1Very high96.9Very high11 Ų1131.5 Ų31.57%0.06717%0.167CC..Hα-helixtrans-65.6-41177.9-55.20000111.7L186 S187 Y192 F194 C229 T232 L233L186-T190 WeakPolarHBondContact O-CB 3.23Å; L186-T190 PolarHBondContact O-N 3.3Å; L186-T190 PolarHBondContact O-OG1 2.91Å; S187-T190 PolarHBondContact O-N 2.87Å; T190-Y192 VanDerWaalsContact C-N 3.32Å; T190-F194 WeakPolarHBondContact O-CB 3.24Å; T190-F194 PolarHBondContact O-N 3.38Å; T190-C229 HydrophobicContact CG2-CB 4.32Å; T190-T232 HydrophobicContact CG2-CG2 4.21Å; T190-L233 HydrophobicContact CG2-CB 3.94Å
191I97.8Very high96.5Very high76 Ų7631.7 Ų31.739%0.3917%0.17SC..Hα-helixtrans-61.5-43.5173.8-70.4163.2000110.4S187 L188 A195 L233 V237S187-I191 WeakPolarHBondContact O-CB 3.36Å; S187-I191 WeakPolarHBondContact O-CD1 3.29Å; S187-I191 WeakPolarHBondContact O-CG1 3.32Å; S187-I191 PolarHBondContact O-N 2.87Å; L188-I191 PolarHBondContact O-N 3.27Å; I191-A195 VanDerWaalsContact O-CB 3.31Å; I191-A195 WeakPolarHBondContact O-CB 3.18Å; I191-A195 PolarHBondContact O-N 2.89Å; I191-L233 HydrophobicContact CG1-CD1 3.75Å; I191-L233 HydrophobicContact CG1-CG 4.19Å; I191-V237 HydrophobicContact CD1-CG2 4.07Å; I191-V237 HydrophobicContact CG1-CG2 4.49Å
192Y98Very high96.1Very high41 Ų4133.1 Ų33.116%0.16118%0.18CC..Hα-helixtrans-59.6-55.6178.9-174.6-84.5000111.3F47 I63 F66 A67 L70 L188 L189 T190 F194 A195 F196F47-Y192 HydrophobicContact CE1-CE1 4.26Å; F47-Y192 HydrophobicContact CZ-CE1 4.26Å; I63-Y192 VanDerWaalsContact CA-OH 3.24Å; I63-Y192 WeakPolarHBondContact CA-OH 3.43Å; I63-Y192 HydrophobicContact CG2-CE1 4.33Å; I63-Y192 WeakPolarHBondContact CG2-OH 3.49Å; I63-Y192 PolarHBondContact O-OH 2.86Å; F66-Y192 HydrophobicContact CB-CE2 4.33Å; A67-Y192 HydrophobicContact CB-CD1 4.43Å; A67-Y192 HydrophobicContact CB-CE1 3.89Å; L70-Y192 HydrophobicContact CD1-CD2 4.27Å; L70-Y192 HydrophobicContact CD1-CG 4.3Å; L188-Y192 VanDerWaalsContact O-CB 3.25Å; L188-Y192 WeakPolarHBondContact O-CB 3.42Å; L188-Y192 PolarHBondContact O-N 3.13Å; L189-Y192 WeakPolarHBondContact O-CB 3.5Å; L189-Y192 PolarHBondContact O-N 2.77Å; T190-Y192 VanDerWaalsContact C-N 3.32Å; Y192-F194 PolarHBondContact O-N 2.8Å; Y192-A195 PolarHBondContact O-N 2.99Å; Y192-F196 AromaticContact CD1-CD2 3.81Å; Y192-F196 HydrophobicContact CD1-CD2 3.81Å; Y192-F196 HydrophobicContact CD1-CE2 4.23Å; Y192-F196 HydrophobicContact CD2-CD2 4.23Å; Y192-F196 AromaticContact CD2-CE2 3.9Å; Y192-F196 HydrophobicContact CD2-CE2 3.9Å; Y192-F196 AromaticContact CE1-CD2 3.52Å; Y192-F196 HydrophobicContact CE1-CD2 3.52Å; Y192-F196 AromaticContact CE1-CE2 3.74Å; Y192-F196 HydrophobicContact CE1-CE2 3.74Å; Y192-F196 HydrophobicContact CE2-CD2 4Å; Y192-F196 AromaticContact CE2-CE2 3.4Å; Y192-F196 HydrophobicContact CE2-CE2 3.4Å; Y192-F196 VanDerWaalsContact CE2-CE2 3.4Å; Y192-F196 HydrophobicContact CE2-CZ 4.4Å; Y192-F196 HydrophobicContact CG-CD2 4.14Å; Y192-F196 HydrophobicContact CG-CE2 4.29Å; Y192-F196 AromaticContact CZ-CD2 3.61Å; Y192-F196 AromaticContact CZ-CE2 3.29Å; Y192-F196 VanDerWaalsContact O-CD2 3.29Å; Y192-F196 WeakPolarHBondContact O-CD2 3.44Å; Y192-F196 PolarHBondContact O-N 3.04Å
193I96.9Very high95.7Very high4 Ų435.1 Ų35.12%0.02119%0.191CC..Hα-helixtrans-59.6-47.7178.9-69.8174.6000110.3T43 F47 L189 A195 F196 N197 E225T43-I193 HydrophobicContact CG2-CD1 4.3Å; T43-I193 HydrophobicContact CG2-CG2 4.31Å; F47-I193 HydrophobicContact CB-CD1 4.49Å; F47-I193 HydrophobicContact CB-CG2 4.31Å; F47-I193 HydrophobicContact CD1-CG1 4.11Å; F47-I193 HydrophobicContact CD2-CB 4.46Å; F47-I193 HydrophobicContact CD2-CG1 4.35Å; F47-I193 HydrophobicContact CD2-CG2 3.9Å; F47-I193 HydrophobicContact CE1-CG1 4.44Å; F47-I193 HydrophobicContact CG-CG1 4.05Å; F47-I193 HydrophobicContact CG-CG2 4.16Å; L189-I193 HydrophobicContact CD1-CD1 3.89Å; L189-I193 HydrophobicContact CD1-CG1 4.2Å; L189-I193 HydrophobicContact CG-CD1 4.02Å; L189-I193 WeakPolarHBondContact O-CG1 3.37Å; L189-I193 PolarHBondContact O-N 3.4Å; I193-A195 PolarHBondContact O-N 3.31Å; I193-F196 PolarHBondContact O-N 2.93Å; I193-N197 WeakPolarHBondContact CG2-ND2 3.39Å; I193-N197 WeakPolarHBondContact O-CB 3.32Å; I193-N197 PolarHBondContact O-N 2.89Å; I193-N197 PolarHBondContact O-ND2 3.12Å; I193-N197 PolarHBondContact O-OD1 3.38Å; I193-E225 WeakPolarHBondContact CG2-OE1 3.48Å
194F96.3Very high95.2Very high52 Ų5238.2 Ų38.223%0.22820%0.202CC..Hα-helixtrans-57.4-47.5179-176.2-103.9000112.1T190 Y192 F196 N197 I198 V226 C229 F230 L233T190-F194 WeakPolarHBondContact O-CB 3.24Å; T190-F194 PolarHBondContact O-N 3.38Å; Y192-F194 PolarHBondContact O-N 2.8Å; F194-F196 PolarHBondContact O-N 2.93Å; F194-N197 PolarHBondContact O-N 3.26Å; F194-I198 HydrophobicContact CE1-CG1 4.28Å; F194-I198 HydrophobicContact CZ-CD1 4.37Å; F194-I198 HydrophobicContact CZ-CG1 4.36Å; F194-I198 WeakPolarHBondContact O-CG1 3.42Å; F194-I198 PolarHBondContact O-N 3.4Å; F194-V226 HydrophobicContact CD2-CG1 4.47Å; F194-V226 HydrophobicContact CE2-CG1 3.87Å; F194-C229 HydrophobicContact CB-CB 4.09Å; F194-C229 HydrophobicContact CD2-CB 3.74Å; F194-C229 HydrophobicContact CG-CB 4.39Å; F194-F230 HydrophobicContact CE2-CB 4.16Å; F194-F230 HydrophobicContact CZ-CD2 4.49Å; F194-L233 HydrophobicContact CB-CD1 4.33Å; F194-L233 HydrophobicContact CD1-CD1 4.19Å; F194-L233 HydrophobicContact CG-CD1 4.31Å
195A96.7Very high94.7Very high46 Ų4637 Ų3738%0.3820%0.198SC..Hα-helixtrans-61.3-45.1179.100000112I191 Y192 I193 I198 V199I191-A195 VanDerWaalsContact O-CB 3.31Å; I191-A195 WeakPolarHBondContact O-CB 3.18Å; I191-A195 PolarHBondContact O-N 2.89Å; Y192-A195 PolarHBondContact O-N 2.99Å; I193-A195 PolarHBondContact O-N 3.31Å; A195-I198 PolarHBondContact O-N 3.4Å; A195-V199 WeakPolarHBondContact O-CG2 3.28Å; A195-V199 PolarHBondContact O-N 3.26Å
196F96.4Very high94.2Very high39 Ų3941.9 Ų41.917%0.17123%0.228CC..Hα-helixtrans-72.2-28.3179.4-80.4-68.7000113.4F47 L55 L59 I63 Y192 I193 F194 V199 H200F47-F196 HydrophobicContact CE2-CB 3.74Å; F47-F196 HydrophobicContact CZ-CB 3.83Å; F47-F196 HydrophobicContact CZ-CG 4.45Å; L55-F196 HydrophobicContact CD1-CB 3.82Å; L55-F196 HydrophobicContact CD1-CD1 4.01Å; L55-F196 HydrophobicContact CD1-CG 4.27Å; L59-F196 HydrophobicContact CD2-CD1 4.45Å; L59-F196 HydrophobicContact CD2-CE1 3.89Å; I63-F196 HydrophobicContact CD1-CD1 4.05Å; I63-F196 HydrophobicContact CD1-CE1 3.53Å; I63-F196 HydrophobicContact CD1-CZ 4.17Å; I63-F196 HydrophobicContact CG1-CD1 4.49Å; I63-F196 HydrophobicContact CG1-CE1 3.83Å; I63-F196 HydrophobicContact CG1-CZ 3.95Å; I63-F196 HydrophobicContact CG2-CD1 4.2Å; I63-F196 HydrophobicContact CG2-CD2 4.37Å; I63-F196 HydrophobicContact CG2-CE1 4.27Å; I63-F196 HydrophobicContact CG2-CE2 4.47Å; I63-F196 HydrophobicContact CG2-CG 4.26Å; I63-F196 HydrophobicContact CG2-CZ 4.41Å; Y192-F196 AromaticContact CD1-CD2 3.81Å; Y192-F196 HydrophobicContact CD1-CD2 3.81Å; Y192-F196 HydrophobicContact CD1-CE2 4.23Å; Y192-F196 HydrophobicContact CD2-CD2 4.23Å; Y192-F196 AromaticContact CD2-CE2 3.9Å; Y192-F196 HydrophobicContact CD2-CE2 3.9Å; Y192-F196 AromaticContact CE1-CD2 3.52Å; Y192-F196 HydrophobicContact CE1-CD2 3.52Å; Y192-F196 AromaticContact CE1-CE2 3.74Å; Y192-F196 HydrophobicContact CE1-CE2 3.74Å; Y192-F196 HydrophobicContact CE2-CD2 4Å; Y192-F196 AromaticContact CE2-CE2 3.4Å; Y192-F196 HydrophobicContact CE2-CE2 3.4Å; Y192-F196 VanDerWaalsContact CE2-CE2 3.4Å; Y192-F196 HydrophobicContact CE2-CZ 4.4Å; Y192-F196 HydrophobicContact CG-CD2 4.14Å; Y192-F196 HydrophobicContact CG-CE2 4.29Å; Y192-F196 AromaticContact CZ-CD2 3.61Å; Y192-F196 AromaticContact CZ-CE2 3.29Å; Y192-F196 VanDerWaalsContact O-CD2 3.29Å; Y192-F196 WeakPolarHBondContact O-CD2 3.44Å; Y192-F196 PolarHBondContact O-N 3.04Å; I193-F196 PolarHBondContact O-N 2.93Å; F194-F196 PolarHBondContact O-N 2.93Å; F196-V199 PolarHBondContact O-N 2.81Å; F196-H200 VanDerWaalsContact O-CB 3.31Å; F196-H200 WeakPolarHBondContact O-CB 3.42Å; F196-H200 PolarHBondContact O-N 3.42Å
197N93.6Very high93.3Very high0 Ų046.6 Ų46.60%025%0.253CS..Hα-helixtrans-64.4-42.7169.9-70.8-10.5000110.9F47 E51 I193 F194 H200 V201 E225 V226F47-N197 WeakPolarHBondContact CD2-OD1 3.37Å; E51-N197 WeakPolarHBondContact CG-OD1 3.5Å; I193-N197 WeakPolarHBondContact CG2-ND2 3.39Å; I193-N197 WeakPolarHBondContact O-CB 3.32Å; I193-N197 PolarHBondContact O-N 2.89Å; I193-N197 PolarHBondContact O-ND2 3.12Å; I193-N197 PolarHBondContact O-OD1 3.38Å; F194-N197 PolarHBondContact O-N 3.26Å; N197-H200 PolarHBondContact O-N 3.21Å; N197-V201 WeakPolarHBondContact O-CG2 3.35Å; N197-V201 PolarHBondContact O-N 2.65Å; N197-E225 VanDerWaalsContact ND2-CD 3.31Å; N197-E225 PolarHBondContact ND2-OE1 2.89Å; N197-V226 HydrophobicContact CB-CG2 3.65Å
198I92.9Very high92.5Very high73 Ų7349.8 Ų49.837%0.37427%0.267SS..Hα-helixtrans-62.8-45.4173.9-61.6-56.3000111F194 A195 H200 V201 V202 V226F194-I198 HydrophobicContact CE1-CG1 4.28Å; F194-I198 HydrophobicContact CZ-CD1 4.37Å; F194-I198 HydrophobicContact CZ-CG1 4.36Å; F194-I198 WeakPolarHBondContact O-CG1 3.42Å; F194-I198 PolarHBondContact O-N 3.4Å; A195-I198 PolarHBondContact O-N 3.4Å; I198-H200 VanDerWaalsContact C-N 3.34Å; I198-H200 PolarHBondContact O-N 3.07Å; I198-V201 PolarHBondContact O-N 2.85Å; I198-V202 HydrophobicContact CG2-CG2 4.23Å; I198-V202 WeakPolarHBondContact O-CB 3.44Å; I198-V202 VanDerWaalsContact O-CG2 3.27Å; I198-V202 WeakPolarHBondContact O-CG2 3.47Å; I198-V202 PolarHBondContact O-N 3.23Å; I198-V226 HydrophobicContact CD1-CG1 4.21Å
199V93.8Very high91.7Very high54 Ų5447.1 Ų47.133%0.32726%0.261SS..Hα-helixtrans-58.5-46.6176.7171.40000111L55 L59 A195 F196 V202 M203L55-V199 HydrophobicContact CD2-CG1 4.09Å; L59-V199 HydrophobicContact CD2-CG1 4.16Å; A195-V199 WeakPolarHBondContact O-CG2 3.28Å; A195-V199 PolarHBondContact O-N 3.26Å; F196-V199 PolarHBondContact O-N 2.81Å; V199-V202 PolarHBondContact O-N 3.37Å; V199-M203 HydrophobicContact CG1-CG 4.31Å; V199-M203 HydrophobicContact CG1-SD 3.79Å; V199-M203 WeakPolarHBondContact O-CB 3.43Å; V199-M203 VanDerWaalsContact O-CG 3.29Å; V199-M203 WeakPolarHBondContact O-CG 3.33Å; V199-M203 PolarHBondContact O-N 3.16Å
200H91.4Very high91Very high5 Ų552.6 Ų52.62%0.02329%0.285CS..Hα-helixtrans-58.7-48.5177.7176.1-106.1000112.1E51 Y54 L55 F196 N197 I198 V202 M203 R204E51-H200 HydrophobicContact CG-CB 4.19Å; Y54-H200 AromaticContact CD1-CD2 3.55Å; Y54-H200 AromaticContact CG-CD2 3.88Å; L55-H200 HydrophobicContact CD1-CB 4.46Å; L55-H200 HydrophobicContact CD2-CB 4.28Å; L55-H200 HydrophobicContact CG-CB 4.45Å; F196-H200 VanDerWaalsContact O-CB 3.31Å; F196-H200 WeakPolarHBondContact O-CB 3.42Å; F196-H200 PolarHBondContact O-N 3.42Å; N197-H200 PolarHBondContact O-N 3.21Å; I198-H200 VanDerWaalsContact C-N 3.34Å; I198-H200 PolarHBondContact O-N 3.07Å; H200-V202 PolarHBondContact O-N 2.68Å; H200-M203 PolarHBondContact O-N 2.85Å; H200-R204 PolarHBondContact NE2-NH1 3.24Å; H200-R204 PolarHBondContact O-N 2.97Å
201V90.2Very high90.2Very high25 Ų2557.6 Ų57.615%0.15231%0.31CS..Hα-helixtrans-61.5-44.6177.5171.40000111.2N197 I198 S205 F210 T222N197-V201 WeakPolarHBondContact O-CG2 3.35Å; N197-V201 PolarHBondContact O-N 2.65Å; I198-V201 PolarHBondContact O-N 2.85Å; V201-S205 WeakPolarHBondContact O-CB 3.45Å; V201-S205 PolarHBondContact O-N 3.43Å; V201-S205 PolarHBondContact O-OG 3.02Å; V201-F210 HydrophobicContact CG1-CE2 4.36Å; V201-T222 HydrophobicContact CG2-CG2 3.61Å
202V90.6Very high89.3Confident80 Ų8058.4 Ų58.449%0.48532%0.315SS..Hα-helixtrans-61.9-49.4179.3169.60000110.6I198 V199 H200 R204 S205 V206I198-V202 HydrophobicContact CG2-CG2 4.23Å; I198-V202 WeakPolarHBondContact O-CB 3.44Å; I198-V202 VanDerWaalsContact O-CG2 3.27Å; I198-V202 WeakPolarHBondContact O-CG2 3.47Å; I198-V202 PolarHBondContact O-N 3.23Å; V199-V202 PolarHBondContact O-N 3.37Å; H200-V202 PolarHBondContact O-N 2.68Å; V202-R204 PolarHBondContact O-N 2.79Å; V202-S205 PolarHBondContact O-N 2.82Å; V202-S205 PolarHBondContact O-OG 3.45Å; V202-V206 WeakPolarHBondContact O-CG2 3.42Å; V202-V206 PolarHBondContact O-N 3.01Å; V202-V206 VanDerWaalsContact O-N 3.16Å
203M90.1Very high88.4Confident52 Ų5256.9 Ų56.926%0.25631%0.31SS..Hα-helixtrans-60.9-46.4-179.8-69.5-179.97000111.8Y54 H58 V199 H200 S205 V206 D207Y54-M203 HydrophobicContact CE1-CB 3.88Å; Y54-M203 HydrophobicContact CE1-CE 3.99Å; Y54-M203 HydrophobicContact CE1-SD 4.21Å; H58-M203 HydrophobicContact CB-CE 3.86Å; V199-M203 HydrophobicContact CG1-CG 4.31Å; V199-M203 HydrophobicContact CG1-SD 3.79Å; V199-M203 WeakPolarHBondContact O-CB 3.43Å; V199-M203 VanDerWaalsContact O-CG 3.29Å; V199-M203 WeakPolarHBondContact O-CG 3.33Å; V199-M203 PolarHBondContact O-N 3.16Å; H200-M203 PolarHBondContact O-N 2.85Å; M203-S205 VanDerWaalsContact C-N 3.34Å; M203-S205 PolarHBondContact O-N 3.39Å; M203-V206 PolarHBondContact O-N 3.06Å; M203-D207 PolarHBondContact O-N 2.94Å
204R87.1Confident87.5Confident65 Ų6559.2 Ų59.225%0.24532%0.323CS..Hα-helixtrans-64.5-36.5176.3-75.8-134.7142.2107.9-8.2113.5Y54 H200 V202 V206 D207 Q208 T213Y54-R204 VanDerWaalsContact CD2-CZ 3.46Å; Y54-R204 VanDerWaalsContact CD2-NH2 3.33Å; Y54-R204 HydrophobicContact CE2-CG 4.35Å; H200-R204 PolarHBondContact NE2-NH1 3.24Å; H200-R204 PolarHBondContact O-N 2.97Å; V202-R204 PolarHBondContact O-N 2.79Å; R204-V206 VanDerWaalsContact C-N 3.26Å; R204-V206 PolarHBondContact O-N 3.03Å; R204-D207 PolarHBondContact O-N 2.96Å; R204-Q208 PolarHBondContact O-N 3.3Å; R204-T213 HydrophobicContact CB-CG2 3.66Å; R204-T213 PolarHBondContact O-OG1 3.48Å
205S87.7Confident86.6Confident30 Ų3063.8 Ų63.821%0.2134%0.343CS..Hα-helixtrans-66.7-28.1179.174.60000113.4V201 V202 M203 G209 T213V201-S205 WeakPolarHBondContact O-CB 3.45Å; V201-S205 PolarHBondContact O-N 3.43Å; V201-S205 PolarHBondContact O-OG 3.02Å; V202-S205 PolarHBondContact O-N 2.82Å; V202-S205 PolarHBondContact O-OG 3.45Å; M203-S205 VanDerWaalsContact C-N 3.34Å; M203-S205 PolarHBondContact O-N 3.39Å; S205-G209 CarbonylContact O-C 3.58Å; S205-G209 WeakPolarHBondContact O-CA 3.38Å; S205-G209 PolarHBondContact O-N 3.39Å; S205-T213 WeakPolarHBondContact CA-OG1 3.35Å; S205-T213 PolarHBondContact N-OG1 3.01Å
206V87.6Confident85.6Confident116 Ų11665.6 Ų65.670%0.70334%0.343SS*.Hα-helixtrans-69.5-39.8173.5171.60000110.6V202 M203 R204V202-V206 WeakPolarHBondContact O-CG2 3.42Å; V202-V206 PolarHBondContact O-N 3.01Å; V202-V206 VanDerWaalsContact O-N 3.16Å; M203-V206 PolarHBondContact O-N 3.06Å; R204-V206 VanDerWaalsContact C-N 3.26Å; R204-V206 PolarHBondContact O-N 3.03Å
207D80.3Confident84.1Confident112 Ų11268.6 Ų68.660%0.59937%0.365SS*.Hα-helixtrans-77.7-43.7-176.6-65.7-26.2000113Y54 M203 R204Y54-D207 PolarHBondContact OH-OD2 3.45Å; M203-D207 PolarHBondContact O-N 2.94Å; R204-D207 PolarHBondContact O-N 2.96Å
208Q80.9Confident82.9Confident74 Ų7471 Ų7135%0.34638%0.38SS..Hα-helixtrans-113.8-7.3-168.3-62.7175.7-62.400113.9R204 N212 E216R204-Q208 PolarHBondContact O-N 3.3Å; Q208-N212 WeakPolarHBondContact O-CB 3.45Å; Q208-N212 PolarHBondContact O-ND2 3.03Å; Q208-E216 PolarHBondContact NE2-OE1 2.93Å; Q208-E216 PolarHBondContact NE2-OE2 2.71Å
209G82.9Confident81.9Confident31 Ų3167.9 Ų67.932%0.3237%0.367SS..  trans82.6144-169.400000112.6S205 L211 N212 T213S205-G209 CarbonylContact O-C 3.58Å; S205-G209 WeakPolarHBondContact O-CA 3.38Å; S205-G209 PolarHBondContact O-N 3.39Å; G209-L211 PolarHBondContact O-N 3.24Å; G209-N212 PolarHBondContact O-N 3.21Å; G209-T213 PolarHBondContact O-N 3.13Å; G209-T213 PolarHBondContact O-OG1 3.42Å
210F82.4Confident81.1Confident118 Ų11871.1 Ų71.152%0.51838%0.378SS..Hα-helixtrans-58.8-48.8-172.6-177.2-110.3000113.9V201 N212 T213 L214V201-F210 HydrophobicContact CG1-CE2 4.36Å; F210-N212 VanDerWaalsContact C-N 3.27Å; F210-N212 PolarHBondContact O-N 3.2Å; F210-T213 WeakPolarHBondContact O-CB 3.47Å; F210-T213 PolarHBondContact O-N 2.81Å; F210-L214 HydrophobicContact CD1-CD1 3.99Å; F210-L214 HydrophobicContact CE1-CD1 3.5Å; F210-L214 VanDerWaalsContact CE1-CD1 3.5Å; F210-L214 HydrophobicContact CE1-CG 4.37Å; F210-L214 HydrophobicContact CE2-CD1 4.34Å; F210-L214 HydrophobicContact CE2-CD2 4.43Å; F210-L214 HydrophobicContact CE2-CG 4.44Å; F210-L214 HydrophobicContact CZ-CD1 3.7Å; F210-L214 HydrophobicContact CZ-CD2 4.34Å; F210-L214 HydrophobicContact CZ-CG 4.26Å; F210-L214 WeakPolarHBondContact O-CG 3.36Å; F210-L214 PolarHBondContact O-N 2.98Å; F210-L214 VanDerWaalsContact O-N 3.1Å
211L80.4Confident80.7Confident116 Ų11673.4 Ų73.461%0.60739%0.39SS*.Hα-helixtrans-66.2-28.5-177.9-69.1179.1000113.3G209 K215G209-L211 PolarHBondContact O-N 3.24Å; L211-K215 WeakPolarHBondContact O-CG 3.48Å
212N79.3Confident80.5Confident93 Ų9372.3 Ų72.350%0.49738%0.383SS..Hα-helixtrans-77.5-41.9176.5-64-27.4000110.2Q208 G209 F210 L214 K215 E216Q208-N212 WeakPolarHBondContact O-CB 3.45Å; Q208-N212 PolarHBondContact O-ND2 3.03Å; G209-N212 PolarHBondContact O-N 3.21Å; F210-N212 VanDerWaalsContact C-N 3.27Å; F210-N212 PolarHBondContact O-N 3.2Å; N212-L214 PolarHBondContact O-N 3.3Å; N212-K215 PolarHBondContact O-N 3.24Å; N212-E216 PolarHBondContact O-N 3.24Å; N212-E216 VanDerWaalsContact O-N 3.12Å
213T78.6Confident80.2Confident9 Ų970.9 Ų70.96%0.05538%0.375CS..Hα-helixtrans-55.3-37.6174.5-56.10000111.6R204 S205 G209 F210 G219R204-T213 HydrophobicContact CB-CG2 3.66Å; R204-T213 PolarHBondContact O-OG1 3.48Å; S205-T213 WeakPolarHBondContact CA-OG1 3.35Å; S205-T213 PolarHBondContact N-OG1 3.01Å; G209-T213 PolarHBondContact O-N 3.13Å; G209-T213 PolarHBondContact O-OG1 3.42Å; F210-T213 WeakPolarHBondContact O-CB 3.47Å; F210-T213 PolarHBondContact O-N 2.81Å; T213-G219 WeakPolarHBondContact O-CA 3.41Å
214L77.8Confident80.1Confident53 Ų5373 Ų7328%0.27739%0.387SS..Hα-helixtrans-74.2-25.9178.6-66.6177.2000114.5F210 N212 V223F210-L214 HydrophobicContact CD1-CD1 3.99Å; F210-L214 HydrophobicContact CE1-CD1 3.5Å; F210-L214 VanDerWaalsContact CE1-CD1 3.5Å; F210-L214 HydrophobicContact CE1-CG 4.37Å; F210-L214 HydrophobicContact CE2-CD1 4.34Å; F210-L214 HydrophobicContact CE2-CD2 4.43Å; F210-L214 HydrophobicContact CE2-CG 4.44Å; F210-L214 HydrophobicContact CZ-CD1 3.7Å; F210-L214 HydrophobicContact CZ-CD2 4.34Å; F210-L214 HydrophobicContact CZ-CG 4.26Å; F210-L214 WeakPolarHBondContact O-CG 3.36Å; F210-L214 PolarHBondContact O-N 2.98Å; F210-L214 VanDerWaalsContact O-N 3.1Å; N212-L214 PolarHBondContact O-N 3.3Å; L214-V223 HydrophobicContact CD2-CG2 3.34Å
215K77.2Confident80.3Confident149 Ų14970 Ų7065%0.64838%0.375SS*.Hα-helixtrans-92.3-22.3-175.1-73.1176.4-177.4179.80113.4L211 N212L211-K215 WeakPolarHBondContact O-CG 3.48Å; N212-K215 PolarHBondContact O-N 3.24Å
216E77.3Confident80.5Confident84 Ų8469.9 Ų69.939%0.39337%0.374SS..SBendtrans-67.2144.2174.7-69.8-174.417800109.7Q208 N212 P218 G219 E220Q208-E216 PolarHBondContact NE2-OE1 2.93Å; Q208-E216 PolarHBondContact NE2-OE2 2.71Å; N212-E216 PolarHBondContact O-N 3.24Å; N212-E216 VanDerWaalsContact O-N 3.12Å; E216-P218 VanDerWaalsContact C-N 3.31Å; E216-G219 VanDerWaalsContact O-CA 3.23Å; E216-G219 WeakPolarHBondContact O-CA 3.47Å; E216-G219 PolarHBondContact O-N 2.98Å; E216-E220 PolarHBondContact O-N 3.49Å; E216-E220 VanDerWaalsContact O-N 3.1Å
217T64.9Low80.6Confident102 Ų10268.6 Ų68.663%0.62636%0.362SS*.Hα-helixtrans-52.7-38.3-176.4-50.20000114.2G219 L221T217-G219 VanDerWaalsContact C-N 3.3Å; T217-G219 PolarHBondContact O-N 3.08Å; T217-L221 HydrophobicContact CG2-CD1 4.37Å; T217-L221 WeakPolarHBondContact O-CD1 3.46Å; T217-L221 PolarHBondContact O-N 3.41Å
218P68.4Low81.2Confident49 Ų4965.4 Ų65.432%0.31835%0.346SS..Hα-helixtrans-61.8-37.2170.2-21.133.8000112.6E216 L221 T222E216-P218 VanDerWaalsContact C-N 3.31Å; P218-L221 PolarHBondContact O-N 3.49Å; P218-T222 WeakPolarHBondContact O-CB 3.32Å; P218-T222 PolarHBondContact O-N 3.15Å; P218-T222 PolarHBondContact O-OG1 3.05Å
219G71.5Confident81.8Confident9 Ų962 Ų629%0.09333%0.331CS..Hα-helixtrans-63.9-45.2178.200000114.3T213 E216 T217 L221 T222 V223T213-G219 WeakPolarHBondContact O-CA 3.41Å; E216-G219 VanDerWaalsContact O-CA 3.23Å; E216-G219 WeakPolarHBondContact O-CA 3.47Å; E216-G219 PolarHBondContact O-N 2.98Å; T217-G219 VanDerWaalsContact C-N 3.3Å; T217-G219 PolarHBondContact O-N 3.08Å; G219-L221 VanDerWaalsContact C-N 3.31Å; G219-L221 PolarHBondContact O-N 3.47Å; G219-T222 PolarHBondContact O-N 3.29Å; G219-V223 WeakPolarHBondContact O-CB 3.27Å; G219-V223 WeakPolarHBondContact O-CG2 3.19Å; G219-V223 PolarHBondContact O-N 2.95Å
220E76.1Confident82.3Confident121 Ų12165.9 Ų65.957%0.56534%0.339SS*.Hα-helixtrans-61.4-41178.2-67.1-173.916400111.7E216 L224E216-E220 PolarHBondContact O-N 3.49Å; E216-E220 VanDerWaalsContact O-N 3.1Å; E220-L224 PolarHBondContact O-N 2.86Å; E220-L224 VanDerWaalsContact O-N 3.09Å
221L84.3Confident82.8Confident54 Ų5467.1 Ų67.128%0.28335%0.345SS..Hα-helixtrans-69.2-44.2176.5-78.9150.5000112.1L46 F50 T217 P218 G219 V223 L224 E225L46-L221 HydrophobicContact CD2-CD2 4.13Å; F50-L221 HydrophobicContact CE1-CD1 4.25Å; F50-L221 HydrophobicContact CE2-CD1 4.08Å; F50-L221 HydrophobicContact CZ-CD1 3.78Å; T217-L221 HydrophobicContact CG2-CD1 4.37Å; T217-L221 WeakPolarHBondContact O-CD1 3.46Å; T217-L221 PolarHBondContact O-N 3.41Å; P218-L221 PolarHBondContact O-N 3.49Å; G219-L221 VanDerWaalsContact C-N 3.31Å; G219-L221 PolarHBondContact O-N 3.47Å; L221-V223 VanDerWaalsContact C-N 3.32Å; L221-V223 PolarHBondContact O-N 2.88Å; L221-L224 WeakPolarHBondContact O-CB 3.35Å; L221-L224 PolarHBondContact O-N 3.2Å; L221-E225 PolarHBondContact O-N 2.61Å
222T84.8Confident83.4Confident1 Ų163.6 Ų63.61%0.00633%0.328CS..Hα-helixtrans-61.5-39.5174.8-60.70000111.3E51 V201 P218 G219 E225 V226E51-T222 WeakPolarHBondContact OE1-CB 3.49Å; E51-T222 WeakPolarHBondContact OE1-CG2 3.31Å; E51-T222 PolarHBondContact OE1-OG1 3.43Å; V201-T222 HydrophobicContact CG2-CG2 3.61Å; P218-T222 WeakPolarHBondContact O-CB 3.32Å; P218-T222 PolarHBondContact O-N 3.15Å; P218-T222 PolarHBondContact O-OG1 3.05Å; G219-T222 PolarHBondContact O-N 3.29Å; T222-E225 PolarHBondContact O-N 3.01Å; T222-V226 HydrophobicContact CG2-CG2 4.44Å; T222-V226 VanDerWaalsContact O-CG2 3.28Å; T222-V226 WeakPolarHBondContact O-CG2 3.21Å; T222-V226 PolarHBondContact O-N 3.49Å
223V85.4Confident84Confident51 Ų5161.2 Ų61.231%0.30932%0.315SS..Hα-helixtrans-64-45.3176.5170.90000111L214 G219 L221 E225 V226 L227L214-V223 HydrophobicContact CD2-CG2 3.34Å; G219-V223 WeakPolarHBondContact O-CB 3.27Å; G219-V223 WeakPolarHBondContact O-CG2 3.19Å; G219-V223 PolarHBondContact O-N 2.95Å; L221-V223 VanDerWaalsContact C-N 3.32Å; L221-V223 PolarHBondContact O-N 2.88Å; V223-E225 VanDerWaalsContact C-N 3.28Å; V223-E225 PolarHBondContact O-N 3.43Å; V223-V226 PolarHBondContact O-N 3.1Å; V223-L227 HydrophobicContact CG1-CD1 4.38Å; V223-L227 WeakPolarHBondContact O-CG 3.34Å; V223-L227 PolarHBondContact O-N 3.08Å
224L87.9Confident84.7Confident96 Ų9670.7 Ų70.750%0.50335%0.35SS..Hα-helixtrans-58.1-43.6174.1177.562.8000111E220 L221 L227 V228E220-L224 PolarHBondContact O-N 2.86Å; E220-L224 VanDerWaalsContact O-N 3.09Å; L221-L224 WeakPolarHBondContact O-CB 3.35Å; L221-L224 PolarHBondContact O-N 3.2Å; L224-L227 PolarHBondContact O-N 3.32Å; L224-V228 HydrophobicContact CD1-CG2 4.44Å; L224-V228 WeakPolarHBondContact O-CG2 3.49Å; L224-V228 PolarHBondContact O-N 3.36Å
225E90.6Very high85.4Confident2 Ų271.4 Ų71.41%0.00936%0.359CS..Hα-helixtrans-64.3-42.9178.3-165.5-177.6147.700112.6T43 L46 F47 I193 N197 L221 T222 V223 L227 V228 C229T43-E225 HydrophobicContact CG2-CG 4.06Å; L46-E225 WeakPolarHBondContact CB-OE2 3.3Å; F47-E225 PolarHBondContact N-OE2 3.49Å; I193-E225 WeakPolarHBondContact CG2-OE1 3.48Å; N197-E225 VanDerWaalsContact ND2-CD 3.31Å; N197-E225 PolarHBondContact ND2-OE1 2.89Å; L221-E225 PolarHBondContact O-N 2.61Å; T222-E225 PolarHBondContact O-N 3.01Å; V223-E225 VanDerWaalsContact C-N 3.28Å; V223-E225 PolarHBondContact O-N 3.43Å; E225-L227 VanDerWaalsContact C-N 3.31Å; E225-L227 PolarHBondContact O-N 2.97Å; E225-V228 PolarHBondContact O-N 3.19Å; E225-C229 VanDerWaalsContact O-CB 3.32Å; E225-C229 WeakPolarHBondContact O-CB 3.44Å; E225-C229 PolarHBondContact O-N 2.94Å; E225-C229 PolarHBondContact O-SG 3.25Å
226V91.1Very high86.2Confident28 Ų2866 Ų6617%0.1734%0.337CS..Hα-helixtrans-58.3-43.4174.5169.10000110.8F194 N197 I198 T222 V223 C229 F230F194-V226 HydrophobicContact CD2-CG1 4.47Å; F194-V226 HydrophobicContact CE2-CG1 3.87Å; N197-V226 HydrophobicContact CB-CG2 3.65Å; I198-V226 HydrophobicContact CD1-CG1 4.21Å; T222-V226 HydrophobicContact CG2-CG2 4.44Å; T222-V226 VanDerWaalsContact O-CG2 3.28Å; T222-V226 WeakPolarHBondContact O-CG2 3.21Å; T222-V226 PolarHBondContact O-N 3.49Å; V223-V226 PolarHBondContact O-N 3.1Å; V226-C229 PolarHBondContact O-N 3.46Å; V226-F230 WeakPolarHBondContact O-CB 3.34Å; V226-F230 PolarHBondContact O-N 2.95Å
227L91.6Very high87.1Confident89 Ų8964.9 Ų64.947%0.46634%0.335SS..Hα-helixtrans-64.4-46.7177-69.4173.8000111.8V223 L224 E225 C229 F230 F231V223-L227 HydrophobicContact CG1-CD1 4.38Å; V223-L227 WeakPolarHBondContact O-CG 3.34Å; V223-L227 PolarHBondContact O-N 3.08Å; L224-L227 PolarHBondContact O-N 3.32Å; E225-L227 VanDerWaalsContact C-N 3.31Å; E225-L227 PolarHBondContact O-N 2.97Å; L227-C229 VanDerWaalsContact C-N 3.31Å; L227-C229 PolarHBondContact O-N 3.31Å; L227-F230 PolarHBondContact O-N 2.98Å; L227-F231 WeakPolarHBondContact O-CD2 3.24Å; L227-F231 PolarHBondContact O-N 2.89Å
228V92.5Very high88.6Confident44 Ų4462.2 Ų62.227%0.26733%0.328SS..Hα-helixtrans-59.1-44.8176.1170.50000110.6L224 E225 T232L224-V228 HydrophobicContact CD1-CG2 4.44Å; L224-V228 WeakPolarHBondContact O-CG2 3.49Å; L224-V228 PolarHBondContact O-N 3.36Å; E225-V228 PolarHBondContact O-N 3.19Å; V228-T232 VanDerWaalsContact O-CB 3.24Å; V228-T232 WeakPolarHBondContact O-CB 3.38Å; V228-T232 PolarHBondContact O-N 3.2Å; V228-T232 PolarHBondContact O-OG1 2.87Å
229C93.8Very high90Very high3 Ų362.6 Ų62.62%0.0233%0.328CS..Hα-helixtrans-64.4-40.5177.7-720000112T190 F194 E225 V226 L227 T232 L233T190-C229 HydrophobicContact CG2-CB 4.32Å; F194-C229 HydrophobicContact CB-CB 4.09Å; F194-C229 HydrophobicContact CD2-CB 3.74Å; F194-C229 HydrophobicContact CG-CB 4.39Å; E225-C229 VanDerWaalsContact O-CB 3.32Å; E225-C229 WeakPolarHBondContact O-CB 3.44Å; E225-C229 PolarHBondContact O-N 2.94Å; E225-C229 PolarHBondContact O-SG 3.25Å; V226-C229 PolarHBondContact O-N 3.46Å; L227-C229 VanDerWaalsContact C-N 3.31Å; L227-C229 PolarHBondContact O-N 3.31Å; C229-T232 PolarHBondContact O-N 3.48Å; C229-L233 WeakPolarHBondContact O-CB 3.5Å; C229-L233 PolarHBondContact O-N 3.48Å
230F92.8Very high91.3Very high112 Ų11262.8 Ų62.849%0.49133%0.327SS..Hα-helixtrans-59-51.2178.4177.4-99.9000112.2F194 V226 L227 L233 W234F194-F230 HydrophobicContact CE2-CB 4.16Å; F194-F230 HydrophobicContact CZ-CD2 4.49Å; V226-F230 WeakPolarHBondContact O-CB 3.34Å; V226-F230 PolarHBondContact O-N 2.95Å; L227-F230 PolarHBondContact O-N 2.98Å; F230-L233 PolarHBondContact O-N 3.05Å; F230-W234 PolarHBondContact O-N 3.32Å
231F93.1Very high92.3Very high144 Ų14459 Ų5963%0.63232%0.32SS*.Hα-helixtrans-67.3-38.9178.5-69.5-65.9000112.2L227 S235L227-F231 WeakPolarHBondContact O-CD2 3.24Å; L227-F231 PolarHBondContact O-N 2.89Å; F231-S235 PolarHBondContact O-N 3.25Å
232T92.4Very high93Very high43 Ų4359.8 Ų59.826%0.26432%0.321SS..Hα-helixtrans-66.7-40.4178.3-57.10000111.4T190 V228 C229 S235 M236T190-T232 HydrophobicContact CG2-CG2 4.21Å; V228-T232 VanDerWaalsContact O-CB 3.24Å; V228-T232 WeakPolarHBondContact O-CB 3.38Å; V228-T232 PolarHBondContact O-N 3.2Å; V228-T232 PolarHBondContact O-OG1 2.87Å; C229-T232 PolarHBondContact O-N 3.48Å; T232-S235 PolarHBondContact O-N 2.94Å; T232-M236 HydrophobicContact CG2-CG 3.84Å; T232-M236 WeakPolarHBondContact O-CB 3.41Å; T232-M236 VanDerWaalsContact O-CG 3.27Å; T232-M236 WeakPolarHBondContact O-CG 3.08Å; T232-M236 PolarHBondContact O-N 3.2Å
233L92.9Very high93.6Very high42 Ų4259.9 Ų59.922%0.2232%0.322CS..Hα-helixtrans-61.9-49.2-178.9-175.1152.7000110.9T190 I191 F194 C229 F230 S235 M236 V237T190-L233 HydrophobicContact CG2-CB 3.94Å; I191-L233 HydrophobicContact CG1-CD1 3.75Å; I191-L233 HydrophobicContact CG1-CG 4.19Å; F194-L233 HydrophobicContact CB-CD1 4.33Å; F194-L233 HydrophobicContact CD1-CD1 4.19Å; F194-L233 HydrophobicContact CG-CD1 4.31Å; C229-L233 WeakPolarHBondContact O-CB 3.5Å; C229-L233 PolarHBondContact O-N 3.48Å; F230-L233 PolarHBondContact O-N 3.05Å; L233-S235 VanDerWaalsContact C-N 3.31Å; L233-S235 PolarHBondContact O-N 3.12Å; L233-M236 PolarHBondContact O-N 3.49Å; L233-V237 HydrophobicContact CD2-CG2 4.12Å; L233-V237 HydrophobicContact CG-CG2 4.12Å; L233-V237 VanDerWaalsContact O-CB 3.26Å; L233-V237 WeakPolarHBondContact O-CB 3.47Å; L233-V237 VanDerWaalsContact O-CG2 3.25Å; L233-V237 WeakPolarHBondContact O-CG2 3.46Å; L233-V237 PolarHBondContact O-N 3.1Å
234W91.8Very high94.2Very high209 Ų20960 Ų6079%0.79232%0.323SS*.Hα-helixtrans-57.7-46.1178.9-172.7-91.6000111.7F230 G238F230-W234 PolarHBondContact O-N 3.32Å; W234-G238 PolarHBondContact O-N 3.34Å
235S92.8Very high94.7Very high68 Ų6861.1 Ų61.148%0.47632%0.321SS..Hα-helixtrans-66.6-48.8179.8-174.60000112.5F231 T232 L233 L239F231-S235 PolarHBondContact O-N 3.25Å; T232-S235 PolarHBondContact O-N 2.94Å; L233-S235 VanDerWaalsContact C-N 3.31Å; L233-S235 PolarHBondContact O-N 3.12Å; S235-L239 WeakPolarHBondContact O-CB 3.24Å; S235-L239 PolarHBondContact O-N 2.94Å
236M94.9Very high95Very high35 Ų3561 Ų6117%0.17232%0.32CS..Hα-helixtrans-72.4-41.3-174.6-67-57.3116.700112.5L186 S187 T232 L233 G238 L239 T240L186-M236 HydrophobicContact CD2-CG 4.04Å; L186-M236 HydrophobicContact CD2-SD 3.7Å; L186-M236 HydrophobicContact CG-CG 4.29Å; S187-M236 PolarHBondContact OG-O 2.83Å; T232-M236 HydrophobicContact CG2-CG 3.84Å; T232-M236 WeakPolarHBondContact O-CB 3.41Å; T232-M236 VanDerWaalsContact O-CG 3.27Å; T232-M236 WeakPolarHBondContact O-CG 3.08Å; T232-M236 PolarHBondContact O-N 3.2Å; L233-M236 PolarHBondContact O-N 3.49Å; M236-G238 VanDerWaalsContact C-N 3.34Å; M236-L239 PolarHBondContact O-N 2.97Å; M236-T240 WeakPolarHBondContact O-CB 3.46Å; M236-T240 PolarHBondContact O-N 3.4Å; M236-T240 PolarHBondContact O-OG1 2.88Å; M236-T240 VanDerWaalsContact O-OG1 3.08Å
237V95.9Very high95.3Very high60 Ų6059.9 Ų59.936%0.36431%0.313SS..Hα-helixtrans-65-41.9177174.60000110.3I191 L233 T240 G241I191-V237 HydrophobicContact CD1-CG2 4.07Å; I191-V237 HydrophobicContact CG1-CG2 4.49Å; L233-V237 HydrophobicContact CD2-CG2 4.12Å; L233-V237 HydrophobicContact CG-CG2 4.12Å; L233-V237 VanDerWaalsContact O-CB 3.26Å; L233-V237 WeakPolarHBondContact O-CB 3.47Å; L233-V237 VanDerWaalsContact O-CG2 3.25Å; L233-V237 WeakPolarHBondContact O-CG2 3.46Å; L233-V237 PolarHBondContact O-N 3.1Å; V237-T240 PolarHBondContact O-N 2.98Å; V237-G241 PolarHBondContact O-N 2.91Å
238G96.6Very high95.5Very high46 Ų4656.6 Ų56.647%0.47430%0.298SS..Hα-helixtrans-59.7-45.9174.600000112.7W234 M236 G241 F242W234-G238 PolarHBondContact O-N 3.34Å; M236-G238 VanDerWaalsContact C-N 3.34Å; G238-G241 PolarHBondContact O-N 2.9Å; G238-F242 PolarHBondContact O-N 3.37Å
239L96.9Very high95.6Very high58 Ų5857.3 Ų57.330%0.30430%0.3SS..Hα-helixtrans-63.3-44.8176.9-176.864000112.1F179 T183 S235 M236 G241 F242 H243F179-L239 HydrophobicContact CZ-CD2 4.34Å; T183-L239 HydrophobicContact CG2-CD2 3.88Å; T183-L239 HydrophobicContact CG2-CG 4.4Å; S235-L239 WeakPolarHBondContact O-CB 3.24Å; S235-L239 PolarHBondContact O-N 2.94Å; M236-L239 PolarHBondContact O-N 2.97Å; L239-G241 VanDerWaalsContact C-N 3.33Å; L239-G241 PolarHBondContact O-N 3.37Å; L239-F242 PolarHBondContact O-N 3.4Å; L239-H243 PolarHBondContact O-CD2 3.35Å; L239-H243 PolarHBondContact O-N 2.86Å
240T98.3Very high95.7Very high12 Ų1257.2 Ų57.27%0.07430%0.299CS..Hα-helixtrans-61.1-41.9176.1-66.30000111.3T183 L184 S187 M236 V237 H243 T244T183-T240 PolarHBondContact O-OG1 3.16Å; T183-T240 VanDerWaalsContact O-OG1 3.1Å; L184-T240 HydrophobicContact CB-CG2 4.18Å; L184-T240 HydrophobicContact CD1-CG2 3.82Å; S187-T240 PolarHBondContact OG-OG1 3.45Å; M236-T240 WeakPolarHBondContact O-CB 3.46Å; M236-T240 PolarHBondContact O-N 3.4Å; M236-T240 PolarHBondContact O-OG1 2.88Å; M236-T240 VanDerWaalsContact O-OG1 3.08Å; V237-T240 PolarHBondContact O-N 2.98Å; T240-H243 PolarHBondContact O-N 3.01Å; T240-T244 WeakPolarHBondContact O-CB 3.4Å; T240-T244 PolarHBondContact O-N 2.71Å; T240-T244 PolarHBondContact O-OG1 3.23Å
241G98.2Very high95.8Very high41 Ų4152.8 Ų52.842%0.42328%0.28SS..Hα-helixtrans-61.3-47.3174.800000112.4V237 G238 L239 H243 T244 Y245V237-G241 PolarHBondContact O-N 2.91Å; G238-G241 PolarHBondContact O-N 2.9Å; L239-G241 VanDerWaalsContact C-N 3.33Å; L239-G241 PolarHBondContact O-N 3.37Å; G241-H243 PolarHBondContact O-N 2.94Å; G241-T244 WeakPolarHBondContact O-CB 3.25Å; G241-T244 PolarHBondContact O-N 3.17Å; G241-Y245 PolarHBondContact O-N 3.25Å
242F98.1Very high96Very high72 Ų7246.1 Ų46.132%0.31625%0.251SS..Hα-helixtrans-59.8-46.1176.9176.2-115.9000112.5G238 L239 T244 Y245 L246 T253G238-F242 PolarHBondContact O-N 3.37Å; L239-F242 PolarHBondContact O-N 3.4Å; F242-T244 VanDerWaalsContact C-N 3.33Å; F242-T244 PolarHBondContact O-N 3.14Å; F242-Y245 HydrophobicContact CD2-CD1 4.47Å; F242-Y245 WeakPolarHBondContact O-CB 3.29Å; F242-Y245 PolarHBondContact O-N 2.82Å; F242-L246 HydrophobicContact CD1-CD1 4.05Å; F242-L246 HydrophobicContact CE1-CD1 3.49Å; F242-L246 VanDerWaalsContact CE1-CD1 3.49Å; F242-L246 HydrophobicContact CE1-CG 4.3Å; F242-L246 HydrophobicContact CE2-CD1 4.18Å; F242-L246 HydrophobicContact CE2-CD2 4.3Å; F242-L246 HydrophobicContact CE2-CG 4.16Å; F242-L246 HydrophobicContact CZ-CD1 3.57Å; F242-L246 HydrophobicContact CZ-CD2 4.25Å; F242-L246 HydrophobicContact CZ-CG 4.04Å; F242-L246 WeakPolarHBondContact O-CG 3.41Å; F242-L246 PolarHBondContact O-N 3.33Å; F242-T253 HydrophobicContact CE1-CG2 3.91Å; F242-T253 HydrophobicContact CZ-CG2 4.2Å
243H98.1Very high96.2Very high3 Ų344.7 Ų44.71%0.01424%0.243CC..Hα-helixtrans-69.1-31.1176.8-82.1-82.1000112.9D161 Y176 F179 Y180 L239 T240 G241 Y245 L246 I247 T253D161-H243 IonicContact OD2-CE1 3.24Å; D161-H243 PolarHBondContact OD2-CE1 3.46Å; Y176-H243 AromaticContact CE2-ND1 3.78Å; Y176-H243 AromaticContact CZ-ND1 3.74Å; Y176-H243 PolarHBondContact OH-ND1 3.06Å; Y176-H243 VanDerWaalsContact OH-ND1 3.13Å; F179-H243 AromaticContact CE1-CD2 3.8Å; F179-H243 AromaticContact CE1-CE1 3.58Å; F179-H243 AromaticContact CE1-ND1 3.86Å; F179-H243 AromaticContact CE1-NE2 3.52Å; F179-H243 AromaticContact CZ-NE2 3.93Å; Y180-H243 HydrophobicContact CD2-CB 3.95Å; Y180-H243 HydrophobicContact CE2-CB 4.33Å; L239-H243 PolarHBondContact O-CD2 3.35Å; L239-H243 PolarHBondContact O-N 2.86Å; T240-H243 PolarHBondContact O-N 3.01Å; G241-H243 PolarHBondContact O-N 2.94Å; H243-Y245 VanDerWaalsContact C-N 3.34Å; H243-L246 PolarHBondContact O-N 2.95Å; H243-I247 WeakPolarHBondContact O-CB 3.35Å; H243-I247 WeakPolarHBondContact O-CG1 3.33Å; H243-I247 PolarHBondContact O-N 2.88Å; H243-T253 PolarHBondContact CE1-OG1 3.42Å
244T98.1Very high96.4Very high54 Ų5444 Ų4433%0.33124%0.239SC..Hα-helixtrans-63.2-42.4172.2-57.90000110.7Y180 T240 G241 F242 I247 S248Y180-T244 WeakPolarHBondContact CE2-OG1 3.44Å; Y180-T244 PolarHBondContact OH-OG1 2.96Å; T240-T244 WeakPolarHBondContact O-CB 3.4Å; T240-T244 PolarHBondContact O-N 2.71Å; T240-T244 PolarHBondContact O-OG1 3.23Å; G241-T244 WeakPolarHBondContact O-CB 3.25Å; G241-T244 PolarHBondContact O-N 3.17Å; F242-T244 VanDerWaalsContact C-N 3.33Å; F242-T244 PolarHBondContact O-N 3.14Å; T244-I247 PolarHBondContact O-N 3.26Å; T244-S248 WeakPolarHBondContact O-CB 3.07Å; T244-S248 PolarHBondContact O-N 3.43Å
245Y97.3Very high96.6Very high118 Ų11834.5 Ų34.546%0.46320%0.203SC..Hα-helixtrans-58.7-49.9171.7164-102.6000111.8G241 F242 H243 I247 S248 L249G241-Y245 PolarHBondContact O-N 3.25Å; F242-Y245 HydrophobicContact CD2-CD1 4.47Å; F242-Y245 WeakPolarHBondContact O-CB 3.29Å; F242-Y245 PolarHBondContact O-N 2.82Å; H243-Y245 VanDerWaalsContact C-N 3.34Å; Y245-I247 PolarHBondContact O-N 3.43Å; Y245-S248 WeakPolarHBondContact O-CB 3.4Å; Y245-S248 PolarHBondContact O-N 2.93Å; Y245-S248 VanDerWaalsContact O-N 3.15Å; Y245-S248 PolarHBondContact O-OG 3.35Å; Y245-L249 HydrophobicContact CD2-CD1 4.19Å; Y245-L249 HydrophobicContact CE1-CD1 3.98Å; Y245-L249 HydrophobicContact CE2-CD1 3.44Å; Y245-L249 VanDerWaalsContact CE2-CD1 3.44Å; Y245-L249 HydrophobicContact CE2-CG 4.22Å; Y245-L249 PolarHBondContact O-N 3.07Å; Y245-L249 WeakPolarHBondContact OH-CD1 3.4Å
246L97.2Very high96.6Very high0 Ų033.6 Ų33.60%019%0.193CC..Hα-helixtrans-61.2-42.2179.4-71.9-178.8000113.2F242 H243 S248 L249 N250 Q251 T253 D256F242-L246 HydrophobicContact CD1-CD1 4.05Å; F242-L246 HydrophobicContact CE1-CD1 3.49Å; F242-L246 VanDerWaalsContact CE1-CD1 3.49Å; F242-L246 HydrophobicContact CE1-CG 4.3Å; F242-L246 HydrophobicContact CE2-CD1 4.18Å; F242-L246 HydrophobicContact CE2-CD2 4.3Å; F242-L246 HydrophobicContact CE2-CG 4.16Å; F242-L246 HydrophobicContact CZ-CD1 3.57Å; F242-L246 HydrophobicContact CZ-CD2 4.25Å; F242-L246 HydrophobicContact CZ-CG 4.04Å; F242-L246 WeakPolarHBondContact O-CG 3.41Å; F242-L246 PolarHBondContact O-N 3.33Å; H243-L246 PolarHBondContact O-N 2.95Å; L246-S248 VanDerWaalsContact C-N 3.33Å; L246-S248 PolarHBondContact O-N 3.31Å; L246-L249 PolarHBondContact O-N 3.47Å; L246-N250 PolarHBondContact O-N 3.33Å; L246-N250 VanDerWaalsContact O-N 3.16Å; L246-Q251 WeakPolarHBondContact CB-O 3.14Å; L246-Q251 HydrophobicContact CD2-CB 4.28Å; L246-Q251 HydrophobicContact CD2-CG 4.34Å; L246-Q251 PolarHBondContact O-N 3.41Å; L246-T253 WeakPolarHBondContact CD1-OG1 3.2Å; L246-D256 HydrophobicContact CD2-CB 3.84Å
247I97Very high96.6Very high4 Ų438.5 Ų38.52%0.02122%0.219CC..Hα-helixtrans-61.2-44.2175-70.4166.9000110.2Y176 Y180 H243 T244 Y245 L249 N250 N279 C280 V283Y176-I247 HydrophobicContact CE1-CD1 3.95Å; Y176-I247 HydrophobicContact CE1-CG1 3.72Å; Y180-I247 HydrophobicContact CD1-CD1 3.94Å; Y180-I247 HydrophobicContact CD2-CD1 3.4Å; Y180-I247 VanDerWaalsContact CD2-CD1 3.4Å; Y180-I247 HydrophobicContact CE1-CD1 4.11Å; Y180-I247 HydrophobicContact CE2-CD1 3.61Å; Y180-I247 HydrophobicContact CG-CD1 3.55Å; H243-I247 WeakPolarHBondContact O-CB 3.35Å; H243-I247 WeakPolarHBondContact O-CG1 3.33Å; H243-I247 PolarHBondContact O-N 2.88Å; T244-I247 PolarHBondContact O-N 3.26Å; Y245-I247 PolarHBondContact O-N 3.43Å; I247-L249 PolarHBondContact O-N 2.93Å; I247-L249 VanDerWaalsContact O-N 3.08Å; I247-N250 PolarHBondContact O-N 3.46Å; I247-N279 WeakPolarHBondContact O-CB 3.37Å; I247-C280 HydrophobicContact CG2-CB 4.2Å; I247-V283 HydrophobicContact CD1-CG1 4.27Å; I247-V283 HydrophobicContact CG1-CG1 4.32Å; I247-V283 HydrophobicContact CG2-CB 4.24Å; I247-V283 HydrophobicContact CG2-CG2 4.23Å
248S96.3Very high96.4Very high21 Ų2140.5 Ų40.515%0.14722%0.223CC..Hα-helixtrans-58.5-25.6179.580.40000113.2T244 Y245 L246 N279T244-S248 WeakPolarHBondContact O-CB 3.07Å; T244-S248 PolarHBondContact O-N 3.43Å; Y245-S248 WeakPolarHBondContact O-CB 3.4Å; Y245-S248 PolarHBondContact O-N 2.93Å; Y245-S248 VanDerWaalsContact O-N 3.15Å; Y245-S248 PolarHBondContact O-OG 3.35Å; L246-S248 VanDerWaalsContact C-N 3.33Å; L246-S248 PolarHBondContact O-N 3.31Å; S248-N279 PolarHBondContact O-ND2 3.44Å
249L94.5Very high96Very high58 Ų5839.2 Ų39.230%0.30421%0.21SC..THydrogen-bonded Turntrans-100.2-0.2179-61.3-174.9000114.3Y245 L246 I247 Q251 N269Y245-L249 HydrophobicContact CD2-CD1 4.19Å; Y245-L249 HydrophobicContact CE1-CD1 3.98Å; Y245-L249 HydrophobicContact CE2-CD1 3.44Å; Y245-L249 VanDerWaalsContact CE2-CD1 3.44Å; Y245-L249 HydrophobicContact CE2-CG 4.22Å; Y245-L249 PolarHBondContact O-N 3.07Å; Y245-L249 WeakPolarHBondContact OH-CD1 3.4Å; L246-L249 PolarHBondContact O-N 3.47Å; I247-L249 PolarHBondContact O-N 2.93Å; I247-L249 VanDerWaalsContact O-N 3.08Å; L249-Q251 VanDerWaalsContact C-N 3.27Å; L249-Q251 HydrophobicContact CB-CB 4.11Å; L249-Q251 PolarHBondContact O-N 3.19Å; L249-N269 PolarHBondContact O-ND2 3.36Å
250N95.4Very high95.5Very high1 Ų137.9 Ų37.91%0.00521%0.205CC..THydrogen-bonded Turntrans45.551.8-166.1-164.3-20.7000112.3R146 R159 L246 I247 N269 Y271 N279 E282R146-N250 PolarHBondContact NH1-OD1 3.43Å; R146-N250 PolarHBondContact NH2-O 3.46Å; R146-N250 PolarHBondContact NH2-OD1 3.46Å; R159-N250 PolarHBondContact NH2-OD1 3.5Å; L246-N250 PolarHBondContact O-N 3.33Å; L246-N250 VanDerWaalsContact O-N 3.16Å; I247-N250 PolarHBondContact O-N 3.46Å; N250-N269 PolarHBondContact O-ND2 2.88Å; N250-Y271 PolarHBondContact ND2-O 3.36Å; N250-N279 HydrophobicContact CB-CB 4.35Å; N250-E282 PolarHBondContact ND2-OE1 3.31Å; N250-E282 VanDerWaalsContact ND2-OE1 3.09Å; N250-E282 PolarHBondContact ND2-OE2 2.75Å
251Q95.4Very high94.9Very high20 Ų2040.1 Ų40.19%0.09321%0.212CC..  trans-122.9143.3-177.4-168.8166.6-53.600109.7L246 L249 E255 D256L246-Q251 WeakPolarHBondContact CB-O 3.14Å; L246-Q251 HydrophobicContact CD2-CB 4.28Å; L246-Q251 HydrophobicContact CD2-CG 4.34Å; L246-Q251 PolarHBondContact O-N 3.41Å; L249-Q251 VanDerWaalsContact C-N 3.27Å; L249-Q251 HydrophobicContact CB-CB 4.11Å; L249-Q251 PolarHBondContact O-N 3.19Å; Q251-E255 HydrophobicContact CG-CB 3.83Å; Q251-D256 HydrophobicContact CG-CB 4.47Å; Q251-D256 PolarHBondContact NE2-OD1 3.44Å
252T97.1Very high93.9Very high3 Ų342.6 Ų42.62%0.01822%0.223CC..  trans-89.6156.7170.358.10000110.4R159 D161 N254 E255 D256R159-T252 HydrophobicContact CG-CG2 3.78Å; D161-T252 WeakPolarHBondContact OD1-CA 3.39Å; D161-T252 VanDerWaalsContact OD1-CB 3.24Å; D161-T252 WeakPolarHBondContact OD1-CB 3.25Å; T252-N254 PolarHBondContact O-N 2.92Å; T252-E255 PolarHBondContact N-OE2 3.18Å; T252-E255 WeakPolarHBondContact O-CB 3.26Å; T252-E255 PolarHBondContact O-N 2.9Å; T252-E255 WeakPolarHBondContact OG1-CB 3.09Å; T252-E255 WeakPolarHBondContact OG1-CG 3.39Å; T252-E255 PolarHBondContact OG1-N 3.25Å; T252-E255 VanDerWaalsContact OG1-N 3.15Å; T252-E255 PolarHBondContact OG1-OE2 3.37Å; T252-D256 PolarHBondContact O-N 2.83Å
253T97.6Very high92.6Very high14 Ų1441.5 Ų41.59%0.08623%0.232CC..Hα-helixtrans-56.6-40.7173-56.20000111.1D161 F242 H243 L246 E255 D256 I257D161-T253 PolarHBondContact OD1-N 3.48Å; D161-T253 PolarHBondContact OD2-OG1 2.91Å; F242-T253 HydrophobicContact CE1-CG2 3.91Å; F242-T253 HydrophobicContact CZ-CG2 4.2Å; H243-T253 PolarHBondContact CE1-OG1 3.42Å; L246-T253 WeakPolarHBondContact CD1-OG1 3.2Å; T253-E255 VanDerWaalsContact C-N 3.32Å; T253-E255 PolarHBondContact O-N 2.9Å; T253-D256 PolarHBondContact O-N 2.61Å; T253-I257 HydrophobicContact CG2-CD1 3.68Å; T253-I257 HydrophobicContact CG2-CG1 4.27Å; T253-I257 WeakPolarHBondContact O-CG1 3.42Å; T253-I257 PolarHBondContact O-N 2.93Å
254N96.8Very high90.8Very high28 Ų2851.8 Ų51.815%0.1528%0.277CS..Hα-helixtrans-62.3-35.6175.6176.670000113.3S148 F160 D161 T252 K258S148-N254 PolarHBondContact OG-ND2 3.27Å; S148-N254 VanDerWaalsContact OG-ND2 3.11Å; F160-N254 HydrophobicContact CD1-CB 4.01Å; F160-N254 HydrophobicContact CE1-CB 4.4Å; F160-N254 WeakPolarHBondContact O-CB 3.35Å; D161-N254 VanDerWaalsContact O-CB 3.26Å; D161-N254 WeakPolarHBondContact O-CB 3.38Å; D161-N254 PolarHBondContact O-N 2.9Å; T252-N254 PolarHBondContact O-N 2.92Å; N254-K258 VanDerWaalsContact CG-NZ 3.27Å; N254-K258 PolarHBondContact ND2-NZ 2.92Å; N254-K258 WeakPolarHBondContact O-CB 3.36Å; N254-K258 WeakPolarHBondContact O-CD 3.49Å; N254-K258 VanDerWaalsContact O-CG 3.25Å; N254-K258 WeakPolarHBondContact O-CG 3.32Å; N254-K258 PolarHBondContact O-N 3.43Å; N254-K258 WeakPolarHBondContact OD1-CE 3.42Å; N254-K258 PolarHBondContact OD1-NZ 3.37Å
255E95Very high89Confident8 Ų857.1 Ų57.14%0.03730%0.304CS..Hα-helixtrans-70.6-41.5175-76.9159.6164.900111.5R146 Q251 T252 T253 K258 G259 S260R146-E255 WeakPolarHBondContact CD-OE1 3.27Å; R146-E255 WeakPolarHBondContact CG-OE1 3.24Å; R146-E255 IonicContact CZ-OE1 3.97Å; R146-E255 IonicContact CZ-OE2 2.74Å; R146-E255 IonicContact NE-OE1 3.79Å; R146-E255 PolarHBondContact NE-OE1 2.92Å; R146-E255 IonicContact NE-OE2 3.7Å; R146-E255 IonicContact NH2-OE1 2.77Å; R146-E255 IonicContact NH2-OE2 3.15Å; R146-E255 PolarHBondContact NH2-OE2 2.9Å; Q251-E255 HydrophobicContact CG-CB 3.83Å; T252-E255 PolarHBondContact N-OE2 3.18Å; T252-E255 WeakPolarHBondContact O-CB 3.26Å; T252-E255 PolarHBondContact O-N 2.9Å; T252-E255 WeakPolarHBondContact OG1-CB 3.09Å; T252-E255 WeakPolarHBondContact OG1-CG 3.39Å; T252-E255 PolarHBondContact OG1-N 3.25Å; T252-E255 VanDerWaalsContact OG1-N 3.15Å; T252-E255 PolarHBondContact OG1-OE2 3.37Å; T253-E255 VanDerWaalsContact C-N 3.32Å; T253-E255 PolarHBondContact O-N 2.9Å; E255-K258 PolarHBondContact O-N 2.94Å; E255-G259 PolarHBondContact O-N 3.42Å; E255-S260 WeakPolarHBondContact CA-OG 3.34Å; E255-S260 WeakPolarHBondContact O-CB 3.47Å; E255-S260 PolarHBondContact O-N 2.85Å; E255-S260 PolarHBondContact O-OG 2.77Å
256D94.7Very high87.7Confident50 Ų5057.7 Ų57.727%0.26731%0.305SS..Hα-helixtrans-62-52.7178.4-170.162.3000112.8L246 Q251 T252 T253 K258 G259L246-D256 HydrophobicContact CD2-CB 3.84Å; Q251-D256 HydrophobicContact CG-CB 4.47Å; Q251-D256 PolarHBondContact NE2-OD1 3.44Å; T252-D256 PolarHBondContact O-N 2.83Å; T253-D256 PolarHBondContact O-N 2.61Å; D256-K258 PolarHBondContact O-N 3.29Å; D256-G259 WeakPolarHBondContact O-CA 3.15Å; D256-G259 PolarHBondContact O-N 3.23Å
257I93.9Very high86.5Confident138 Ų13859.7 Ų59.771%0.70833%0.325SS*.Hα-helixtrans-60.3-34.2179.1-68.2172.1000111.4T253 G259T253-I257 HydrophobicContact CG2-CD1 3.68Å; T253-I257 HydrophobicContact CG2-CG1 4.27Å; T253-I257 WeakPolarHBondContact O-CG1 3.42Å; T253-I257 PolarHBondContact O-N 2.93Å; I257-G259 PolarHBondContact O-N 2.82Å
258K90.9Very high85.9Confident101 Ų10165.8 Ų65.844%0.43935%0.354SS..THydrogen-bonded Turntrans-78.8-2.5175.8-71.5173.6-176.9159.70113.4N254 E255 D256 S260 R266N254-K258 VanDerWaalsContact CG-NZ 3.27Å; N254-K258 PolarHBondContact ND2-NZ 2.92Å; N254-K258 WeakPolarHBondContact O-CB 3.36Å; N254-K258 WeakPolarHBondContact O-CD 3.49Å; N254-K258 VanDerWaalsContact O-CG 3.25Å; N254-K258 WeakPolarHBondContact O-CG 3.32Å; N254-K258 PolarHBondContact O-N 3.43Å; N254-K258 WeakPolarHBondContact OD1-CE 3.42Å; N254-K258 PolarHBondContact OD1-NZ 3.37Å; E255-K258 PolarHBondContact O-N 2.94Å; D256-K258 PolarHBondContact O-N 3.29Å; K258-S260 PolarHBondContact O-N 3.25Å; K258-R266 PolarHBondContact O-NH1 3.29Å; K258-R266 VanDerWaalsContact O-NH1 3.07Å
259G89.5Confident85.6Confident20 Ų2065.9 Ų65.921%0.20635%0.352CS..THydrogen-bonded Turntrans56.331.4-172.300000112.2E255 D256 I257 W261 S262 R266E255-G259 PolarHBondContact O-N 3.42Å; D256-G259 WeakPolarHBondContact O-CA 3.15Å; D256-G259 PolarHBondContact O-N 3.23Å; I257-G259 PolarHBondContact O-N 2.82Å; G259-W261 PolarHBondContact O-N 3.36Å; G259-S262 PolarHBondContact O-N 3.41Å; G259-R266 VanDerWaalsContact O-CD 3.26Å; G259-R266 WeakPolarHBondContact O-CD 3.4Å; G259-R266 PolarHBondContact O-NH1 3.45Å
260S86.6Confident85.4Confident30 Ų3063.6 Ų63.621%0.2134%0.341CS..THydrogen-bonded Turntrans-52.4-30-166.9-57.50000113E255 K258 R266E255-S260 WeakPolarHBondContact CA-OG 3.34Å; E255-S260 WeakPolarHBondContact O-CB 3.47Å; E255-S260 PolarHBondContact O-N 2.85Å; E255-S260 PolarHBondContact O-OG 2.77Å; K258-S260 PolarHBondContact O-N 3.25Å; S260-R266 VanDerWaalsContact CA-NH1 3.27Å; S260-R266 WeakPolarHBondContact O-CD 3.31Å
261W86.1Confident85.2Confident58 Ų5865.4 Ų65.422%0.2235%0.348CS..THydrogen-bonded Turntrans-124.37.6-177.2-42.1113.9000113.5G259 N269 P270 Y271G259-W261 PolarHBondContact O-N 3.36Å; W261-N269 HydrophobicContact CB-CB 4.19Å; W261-N269 HydrophobicContact CD2-CB 4.1Å; W261-N269 HydrophobicContact CG-CB 3.86Å; W261-P270 VanDerWaalsContact CH2-CD 3.49Å; W261-P270 HydrophobicContact CH2-CG 3.82Å; W261-P270 HydrophobicContact CZ3-CG 3.95Å; W261-Y271 HydrophobicContact CH2-CD2 4.45Å; W261-Y271 AromaticContact CH2-CE2 3.91Å; W261-Y271 HydrophobicContact CH2-CE2 3.91Å; W261-Y271 AromaticContact CZ2-CD2 3.96Å; W261-Y271 HydrophobicContact CZ2-CD2 3.96Å; W261-Y271 AromaticContact CZ2-CE2 3.62Å; W261-Y271 HydrophobicContact CZ2-CE2 3.62Å
262S76.9Confident85.1Confident93 Ų9365.9 Ų65.965%0.6535%0.353SS*.  trans-107.1122.7-179.2-171.70000110.4G259G259-S262 PolarHBondContact O-N 3.41Å
263G69.6Low84.9Confident49 Ų4970.6 Ų70.651%0.50538%0.375SS..SBendtrans137.5153.9174.300000114.8N265 R266G263-N265 PolarHBondContact O-N 3.43Å; G263-N265 VanDerWaalsContact O-N 3.1Å; G263-R266 PolarHBondContact O-N 3Å; G263-R266 VanDerWaalsContact O-N 3.12Å
264K61.1Low84.5Confident219 Ų21978 Ų7895%0.95241%0.406SS*.THydrogen-bonded Turntrans-56.3-27.6-176.3-74.6-176177.8179.20114.7
265N60.2Low84.4Confident167 Ų16779.9 Ų79.989%0.89342%0.416SS*.THydrogen-bonded Turntrans-107.710.4-177.2-65.6-18.2000113.7G263G263-N265 PolarHBondContact O-N 3.43Å; G263-N265 VanDerWaalsContact O-N 3.1Å
266R69.5Low84.4Confident130 Ų13084.6 Ų84.649%0.49144%0.441SS..SBendtrans-106136.6178.3-64-163.8-178.2-166.43.5110K258 G259 S260 G263K258-R266 PolarHBondContact O-NH1 3.29Å; K258-R266 VanDerWaalsContact O-NH1 3.07Å; G259-R266 VanDerWaalsContact O-CD 3.26Å; G259-R266 WeakPolarHBondContact O-CD 3.4Å; G259-R266 PolarHBondContact O-NH1 3.45Å; S260-R266 VanDerWaalsContact CA-NH1 3.27Å; S260-R266 WeakPolarHBondContact O-CD 3.31Å; G263-R266 PolarHBondContact O-N 3Å; G263-R266 VanDerWaalsContact O-N 3.12Å
267G72.4Confident84.5Confident41 Ų4188 Ų8842%0.42346%0.458SS..  trans-64.1156.1177.700000112
268Q84.3Confident84.5Confident133 Ų13387.7 Ų87.762%0.62145%0.451SS*.  trans-54.8144.6170.5-67.9-176.5-2.100110.1Q129 P270 K274Q129-Q268 PolarHBondContact NE2-O 3.09Å; Q129-Q268 PolarHBondContact OE1-O 3.37Å; Q268-P270 WeakPolarHBondContact O-CD 3.41Å; Q268-K274 VanDerWaalsContact OE1-CE 3.28Å
269N89.9Confident84.8Confident22 Ų2283 Ų8312%0.11843%0.431CS..  trans-53.5110.1177.9179.82.5000110.7L249 N250 W261 Y271 S272L249-N269 PolarHBondContact O-ND2 3.36Å; N250-N269 PolarHBondContact O-ND2 2.88Å; W261-N269 HydrophobicContact CB-CB 4.19Å; W261-N269 HydrophobicContact CD2-CB 4.1Å; W261-N269 HydrophobicContact CG-CB 3.86Å; N269-Y271 PolarHBondContact O-N 2.93Å; N269-Y271 WeakPolarHBondContact OD1-CB 3.44Å; N269-Y271 VanDerWaalsContact OD1-CD2 3.3Å; N269-Y271 WeakPolarHBondContact OD1-CD2 3.31Å; N269-Y271 PolarHBondContact OD1-N 3.49Å; N269-S272 PolarHBondContact O-N 3.43Å
270P90.8Very high85Confident11 Ų1183.4 Ų83.47%0.07143%0.43CS..THydrogen-bonded Turntrans-70.1-15.3-175.426.2-31.3000112.9N127 Q129 W261 Q268N127-P270 HydrophobicContact CB-CB 4.38Å; N127-P270 PolarHBondContact ND2-O 3.45Å; Q129-P270 VanDerWaalsContact OE1-CB 3.25Å; Q129-P270 VanDerWaalsContact OE1-CD 3.29Å; Q129-P270 VanDerWaalsContact OE1-CG 3.24Å; W261-P270 VanDerWaalsContact CH2-CD 3.49Å; W261-P270 HydrophobicContact CH2-CG 3.82Å; W261-P270 HydrophobicContact CZ3-CG 3.95Å; Q268-P270 WeakPolarHBondContact O-CD 3.41Å
271Y91.9Very high85.4Confident39 Ų3984.8 Ų84.815%0.15344%0.439CS..THydrogen-bonded Turntrans-89.8-12.1179.8-51.5-73.6000112.7I126 P145 R146 N250 W261 N269I126-Y271 HydrophobicContact CD1-CE1 4.17Å; I126-Y271 VanDerWaalsContact CD1-OH 3.3Å; I126-Y271 WeakPolarHBondContact CD1-OH 3.19Å; I126-Y271 HydrophobicContact CG2-CE1 4.05Å; P145-Y271 WeakPolarHBondContact CB-OH 3.34Å; R146-Y271 HydrophobicContact CG-CD2 4.3Å; R146-Y271 HydrophobicContact CG-CE1 4.11Å; R146-Y271 HydrophobicContact CG-CE2 3.7Å; N250-Y271 PolarHBondContact ND2-O 3.36Å; W261-Y271 HydrophobicContact CH2-CD2 4.45Å; W261-Y271 AromaticContact CH2-CE2 3.91Å; W261-Y271 HydrophobicContact CH2-CE2 3.91Å; W261-Y271 AromaticContact CZ2-CD2 3.96Å; W261-Y271 HydrophobicContact CZ2-CD2 3.96Å; W261-Y271 AromaticContact CZ2-CE2 3.62Å; W261-Y271 HydrophobicContact CZ2-CE2 3.62Å; N269-Y271 PolarHBondContact O-N 2.93Å; N269-Y271 WeakPolarHBondContact OD1-CB 3.44Å; N269-Y271 VanDerWaalsContact OD1-CD2 3.3Å; N269-Y271 WeakPolarHBondContact OD1-CD2 3.31Å; N269-Y271 PolarHBondContact OD1-N 3.49Å
272S92.5Very high85.8Confident29 Ų2984.5 Ų84.520%0.20344%0.44CS..  trans-78.2133.6179.9-177.30000111.3N269 K274 N279N269-S272 PolarHBondContact O-N 3.43Å; S272-K274 PolarHBondContact O-N 3.47Å; S272-K274 PolarHBondContact OG-N 2.86Å; S272-N279 PolarHBondContact OG-ND2 3.38Å; S272-N279 VanDerWaalsContact OG-ND2 3.13Å
273H92.1Very high86.5Confident103 Ų10380.6 Ų80.648%0.47741%0.412SS..  trans-74.43.9170.9-69.8-70.2000113.6N275 K278 N279 E282H273-N275 PolarHBondContact O-N 3.32Å; H273-K278 HydrophobicContact CB-CB 3.76Å; H273-K278 HydrophobicContact CB-CD 4.31Å; H273-N279 WeakPolarHBondContact CB-OD1 3.39Å; H273-N279 PolarHBondContact CD2-OD1 2.93Å; H273-N279 PolarHBondContact N-OD1 3.38Å; H273-E282 IonicContact CD2-OE2 3.61Å; H273-E282 PolarHBondContact CD2-OE2 3.28Å; H273-E282 VanDerWaalsContact CD2-OE2 3.24Å; H273-E282 IonicContact NE2-OE2 3.63Å; H273-E282 PolarHBondContact NE2-OE2 3.42Å
274K89.7Confident87.6Confident168 Ų16881.5 Ų81.573%0.7341%0.405SS*.SBendtrans54.821.5-174-55.4-178.1177.5-175.60113.2Q268 S272Q268-K274 VanDerWaalsContact OE1-CE 3.28Å; S272-K274 PolarHBondContact O-N 3.47Å; S272-K274 PolarHBondContact OG-N 2.86Å
275N94.7Very high89.2Confident68 Ų6876 Ų7636%0.36439%0.393SS..  trans-144.8121.1179.7-179.4-70.2000108.5H273 I277 K278 N279H273-N275 PolarHBondContact O-N 3.32Å; N275-I277 VanDerWaalsContact C-N 3.32Å; N275-I277 PolarHBondContact O-N 2.95Å; N275-I277 WeakPolarHBondContact OD1-CA 3.32Å; N275-I277 WeakPolarHBondContact OD1-CB 3.28Å; N275-I277 PolarHBondContact OD1-N 3.32Å; N275-K278 HydrophobicContact CB-CB 4.12Å; N275-K278 HydrophobicContact CB-CD 4.18Å; N275-K278 HydrophobicContact CB-CG 4.11Å; N275-K278 PolarHBondContact O-N 2.97Å; N275-K278 PolarHBondContact OD1-N 2.95Å; N275-N279 VanDerWaalsContact O-CG 3.32Å; N275-N279 PolarHBondContact O-N 3.26Å; N275-N279 PolarHBondContact O-ND2 3.42Å
276I95.7Very high90.5Very high108 Ų10868.9 Ų68.955%0.55436%0.36SS*.Hα-helixtrans-59.1-45.1-175.2-65.5170.9000110.8K278 N279 C280I276-K278 PolarHBondContact O-N 2.93Å; I276-N279 PolarHBondContact O-N 2.85Å; I276-C280 WeakPolarHBondContact O-CB 3.19Å; I276-C280 PolarHBondContact O-N 2.99Å; I276-C280 PolarHBondContact O-SG 3.29Å
277I95.6Very high91.5Very high122 Ų12267.9 Ų67.963%0.62637%0.37SS*.Hα-helixtrans-63.4-46.3-178-58.4175.2000110.1N275 N279 C280 C281N275-I277 VanDerWaalsContact C-N 3.32Å; N275-I277 PolarHBondContact O-N 2.95Å; N275-I277 WeakPolarHBondContact OD1-CA 3.32Å; N275-I277 WeakPolarHBondContact OD1-CB 3.28Å; N275-I277 PolarHBondContact OD1-N 3.32Å; I277-N279 VanDerWaalsContact C-N 3.34Å; I277-N279 PolarHBondContact O-N 3.09Å; I277-C280 PolarHBondContact O-N 3.19Å; I277-C281 WeakPolarHBondContact O-CB 3.23Å; I277-C281 PolarHBondContact O-N 3.03Å; I277-C281 PolarHBondContact O-SG 3.47Å
278K95.5Very high92.1Very high131 Ų13170.2 Ų70.257%0.5738%0.376SS*.Hα-helixtrans-60.9-43177.4-69-173.3177.7-1770111.9H273 N275 I276 C281 E282H273-K278 HydrophobicContact CB-CB 3.76Å; H273-K278 HydrophobicContact CB-CD 4.31Å; N275-K278 HydrophobicContact CB-CB 4.12Å; N275-K278 HydrophobicContact CB-CD 4.18Å; N275-K278 HydrophobicContact CB-CG 4.11Å; N275-K278 PolarHBondContact O-N 2.97Å; N275-K278 PolarHBondContact OD1-N 2.95Å; I276-K278 PolarHBondContact O-N 2.93Å; K278-C281 PolarHBondContact O-N 3.27Å; K278-E282 PolarHBondContact O-N 2.82Å
279N95.8Very high92.3Very high1 Ų167.8 Ų67.81%0.00536%0.362CS..Hα-helixtrans-62.6-42.6176.5-69.7-21.1000111.8I247 S248 N250 S272 H273 N275 I276 I277 V283I247-N279 WeakPolarHBondContact O-CB 3.37Å; S248-N279 PolarHBondContact O-ND2 3.44Å; N250-N279 HydrophobicContact CB-CB 4.35Å; S272-N279 PolarHBondContact OG-ND2 3.38Å; S272-N279 VanDerWaalsContact OG-ND2 3.13Å; H273-N279 WeakPolarHBondContact CB-OD1 3.39Å; H273-N279 PolarHBondContact CD2-OD1 2.93Å; H273-N279 PolarHBondContact N-OD1 3.38Å; N275-N279 VanDerWaalsContact O-CG 3.32Å; N275-N279 PolarHBondContact O-N 3.26Å; N275-N279 PolarHBondContact O-ND2 3.42Å; I276-N279 PolarHBondContact O-N 2.85Å; I277-N279 VanDerWaalsContact C-N 3.34Å; I277-N279 PolarHBondContact O-N 3.09Å; N279-V283 PolarHBondContact O-N 3.46Å
280C95.1Very high92.4Very high30 Ų3072 Ų7220%0.20339%0.39CS..Hα-helixtrans-63.3-46174.3-67.50000111.9I247 I276 I277 E282 V283 L284I247-C280 HydrophobicContact CG2-CB 4.2Å; I276-C280 WeakPolarHBondContact O-CB 3.19Å; I276-C280 PolarHBondContact O-N 2.99Å; I276-C280 PolarHBondContact O-SG 3.29Å; I277-C280 PolarHBondContact O-N 3.19Å; C280-E282 VanDerWaalsContact C-N 3.34Å; C280-E282 PolarHBondContact O-N 2.97Å; C280-V283 PolarHBondContact O-N 2.87Å; C280-L284 HydrophobicContact CB-CD1 4.5Å; C280-L284 WeakPolarHBondContact O-CB 3.42Å; C280-L284 WeakPolarHBondContact O-CG 3.37Å; C280-L284 PolarHBondContact O-N 3.1Å
281C95Very high92.5Very high58 Ų5873.5 Ų73.539%0.39240%0.401SS..Hα-helixtrans-63.1-37.4179.2-71.40000112.4I277 K278 V283 C285 G286I277-C281 WeakPolarHBondContact O-CB 3.23Å; I277-C281 PolarHBondContact O-N 3.03Å; I277-C281 PolarHBondContact O-SG 3.47Å; K278-C281 PolarHBondContact O-N 3.27Å; C281-V283 PolarHBondContact O-N 3.06Å; C281-C285 CarbonylContact O-C 3.45Å; C281-C285 VanDerWaalsContact O-CA 3.31Å; C281-C285 WeakPolarHBondContact O-CA 3.39Å; C281-C285 WeakPolarHBondContact O-CB 3.29Å; C281-C285 PolarHBondContact O-N 3.33Å; C281-G286 PolarHBondContact O-N 3.12Å
282E93.1Very high92.7Very high53 Ų5375.8 Ų75.825%0.24842%0.419CS..Hα-helixtrans-58.2-39175.4-174.6-167140.100111.8N250 H273 K278 C280 G286N250-E282 PolarHBondContact ND2-OE1 3.31Å; N250-E282 VanDerWaalsContact ND2-OE1 3.09Å; N250-E282 PolarHBondContact ND2-OE2 2.75Å; H273-E282 IonicContact CD2-OE2 3.61Å; H273-E282 PolarHBondContact CD2-OE2 3.28Å; H273-E282 VanDerWaalsContact CD2-OE2 3.24Å; H273-E282 IonicContact NE2-OE2 3.63Å; H273-E282 PolarHBondContact NE2-OE2 3.42Å; K278-E282 PolarHBondContact O-N 2.82Å; C280-E282 VanDerWaalsContact C-N 3.34Å; C280-E282 PolarHBondContact O-N 2.97Å; E282-G286 WeakPolarHBondContact O-CA 3.49Å
283V92.3Very high92.7Very high10 Ų1075.3 Ų75.36%0.06141%0.414CS..Hα-helixtrans-82.9-45.1-178.6176.70000112.2Y176 R177 I247 N279 C280 C281Y176-V283 HydrophobicContact CD1-CG1 3.68Å; Y176-V283 HydrophobicContact CE1-CG1 3.87Å; R177-V283 WeakPolarHBondContact CB-O 3.12Å; I247-V283 HydrophobicContact CD1-CG1 4.27Å; I247-V283 HydrophobicContact CG1-CG1 4.32Å; I247-V283 HydrophobicContact CG2-CB 4.24Å; I247-V283 HydrophobicContact CG2-CG2 4.23Å; N279-V283 PolarHBondContact O-N 3.46Å; C280-V283 PolarHBondContact O-N 2.87Å; C281-V283 PolarHBondContact O-N 3.06Å
284L93.2Very high92.6Very high69 Ų6974.7 Ų74.736%0.36141%0.414SS..Hα-helixtrans-89.4-36.9-169.8-58.9179000113Y180 C280Y180-L284 HydrophobicContact CD1-CD2 3.42Å; Y180-L284 VanDerWaalsContact CD1-CD2 3.42Å; Y180-L284 HydrophobicContact CE1-CD1 4.25Å; Y180-L284 HydrophobicContact CE1-CD2 3.7Å; Y180-L284 HydrophobicContact CG-CD2 4.46Å; C280-L284 HydrophobicContact CB-CD1 4.5Å; C280-L284 WeakPolarHBondContact O-CB 3.42Å; C280-L284 WeakPolarHBondContact O-CG 3.37Å; C280-L284 PolarHBondContact O-N 3.1Å
285C93.3Very high92.6Very high103 Ų10368.6 Ų68.670%0.69639%0.386SS*.THydrogen-bonded Turntrans-110.9-4.5-175.2-53.30000112.7C281C281-C285 CarbonylContact O-C 3.45Å; C281-C285 VanDerWaalsContact O-CA 3.31Å; C281-C285 WeakPolarHBondContact O-CA 3.39Å; C281-C285 WeakPolarHBondContact O-CB 3.29Å; C281-C285 PolarHBondContact O-N 3.33Å
286G88.5Confident92.4Very high18 Ų1870.5 Ų70.519%0.18639%0.388CS..SBendtrans-66.7157.7-179.400000113.4C281 E282C281-G286 PolarHBondContact O-N 3.12Å; E282-G286 WeakPolarHBondContact O-CA 3.49Å
287P89.6Confident92.1Very high109 Ų10966 Ų6671%0.70837%0.369SS*.PPolyproline II helixtrans-62.1152.3178.826.7-34.3000111.7Y289P287-Y289 PolarHBondContact O-N 3.36Å
288T85.6Confident91.7Very high89 Ų8964.4 Ų64.455%0.54636%0.361SS..PPolyproline II helixtrans-73.6121.4177.476.40000109.3R177R177-T288 VanDerWaalsContact CZ-CG2 3.46Å
289Y89.3Confident91.1Very high83 Ų8362.3 Ų62.333%0.32535%0.354SS..PPolyproline II helixtrans-63139.8173.2-61.8-77.3000110.3K173 R174 P287K173-Y289 HydrophobicContact CD-CD1 4.33Å; K173-Y289 HydrophobicContact CD-CD2 4.33Å; K173-Y289 HydrophobicContact CD-CG 4.19Å; K173-Y289 HydrophobicContact CG-CD2 3.65Å; K173-Y289 HydrophobicContact CG-CE2 3.92Å; K173-Y289 HydrophobicContact CG-CG 3.97Å; R174-Y289 PolarHBondContact NH1-O 3.3Å; P287-Y289 PolarHBondContact O-N 3.36Å
290P91.8Very high90.3Very high110 Ų11068.4 Ų68.471%0.71438%0.383SS*.PPolyproline II helixtrans-77.2158.4172.331.7-34.8000111.4R174R174-P290 PolarHBondContact NH1-O 3.43Å
291S93.4Very high89Confident42 Ų4270.3 Ų70.329%0.29439%0.389SS..PPolyproline II helixtrans-86.4132.6-178.3-178.30000106.5D85 L293D85-S291 WeakPolarHBondContact OD2-CB 3.27Å; D85-S291 PolarHBondContact OD2-OG 3.43Å; S291-L293 PolarHBondContact O-N 3.45Å; S291-L293 PolarHBondContact OG-N 2.93Å; S291-L293 PolarHBondContact OG-O 3.32Å
292V94.3Very high87.4Confident88 Ų8874.5 Ų74.553%0.53341%0.407SS..SBendtrans-80-4.6172.6-630000111.6V88V88-V292 VanDerWaalsContact O-CG2 3.25Å; V88-V292 WeakPolarHBondContact O-CG2 3.46Å
293L92.3Very high85.1Confident18 Ų1875.4 Ų75.49%0.09442%0.419CS..  trans-97.7114.1176.4-58.2-177.1000110.6L12 V88 P90 S291 R295L12-L293 HydrophobicContact CD1-CD1 4.27Å; L12-L293 HydrophobicContact CD1-CD2 3.95Å; L12-L293 HydrophobicContact CD2-CD1 3.79Å; V88-L293 HydrophobicContact CB-CD1 3.78Å; V88-L293 HydrophobicContact CG1-CD1 3.89Å; P90-L293 HydrophobicContact CB-CD2 4.47Å; S291-L293 PolarHBondContact O-N 3.45Å; S291-L293 PolarHBondContact OG-N 2.93Å; S291-L293 PolarHBondContact OG-O 3.32Å; L293-R295 HydrophobicContact CB-CG 3.98Å; L293-R295 PolarHBondContact O-N 2.9Å
294D90.8Very high83.1Confident91 Ų9180.8 Ų80.849%0.48745%0.454SS..  trans-77.873.8165.8178.319.6000110.2K8 R296 G297K8-D294 WeakPolarHBondContact CB-O 3.45Å; K8-D294 HydrophobicContact CD-CB 4.04Å; K8-D294 WeakPolarHBondContact CD-O 3.39Å; K8-D294 WeakPolarHBondContact CD-OD2 3.46Å; K8-D294 IonicContact NZ-OD2 3.63Å; K8-D294 PolarHBondContact NZ-OD2 3.23Å; D294-R296 VanDerWaalsContact C-N 3.33Å; D294-R296 PolarHBondContact O-N 3.35Å; D294-G297 WeakPolarHBondContact OD1-CA 3.21Å; D294-G297 PolarHBondContact OD1-N 3.33Å; D294-G297 WeakPolarHBondContact OD2-CA 3.42Å
295R90.5Very high80.8Confident40 Ų4081.3 Ų81.315%0.15147%0.469CS..SBendtrans-63.8-35.7-175.5-73.4-173.4-66.3162.65.4113.4W9 G22 R23 L293W9-R295 HydrophobicContact CB-CB 4.05Å; W9-R295 HydrophobicContact CB-CG 4.47Å; W9-R295 WeakPolarHBondContact CB-O 3.32Å; W9-R295 VanDerWaalsContact CD1-O 3.23Å; W9-R295 PolarHBondContact N-O 3.47Å; G22-R295 PolarHBondContact O-NE 2.88Å; G22-R295 PolarHBondContact O-NH1 3.36Å; R23-R295 PolarHBondContact O-NH1 2.81Å; R23-R295 PolarHBondContact O-NH2 2.9Å; L293-R295 HydrophobicContact CB-CG 3.98Å; L293-R295 PolarHBondContact O-N 2.9Å
296R90Very high78.3Confident107 Ų10780.7 Ų80.740%0.40447%0.471SS..SBendtrans-96.1-7.4-172.6-64.9-174.970.5-139.9-1.3113.5R7 D21 D294R7-R296 WeakPolarHBondContact CD-O 3.46Å; R7-R296 PolarHBondContact NH1-O 2.96Å; D21-R296 WeakPolarHBondContact O-CG 3.38Å; D21-R296 IonicContact OD2-CZ 2.78Å; D21-R296 VanDerWaalsContact OD2-CZ 3.26Å; D21-R296 IonicContact OD2-NE 3.53Å; D21-R296 PolarHBondContact OD2-NE 2.87Å; D21-R296 IonicContact OD2-NH2 2.72Å; D21-R296 PolarHBondContact OD2-NH2 3.17Å; D294-R296 VanDerWaalsContact C-N 3.33Å; D294-R296 PolarHBondContact O-N 3.35Å
297G88.6Confident75.9Confident14 Ų1483.9 Ų83.914%0.14450%0.496CS..  trans-55.3154.3170.900000112.1K8 D294K8-G297 WeakPolarHBondContact CG-O 3.15Å; K8-G297 PolarHBondContact N-O 3.01Å; D294-G297 WeakPolarHBondContact OD1-CA 3.21Å; D294-G297 PolarHBondContact OD1-N 3.33Å; D294-G297 WeakPolarHBondContact OD2-CA 3.42Å
298L88.6Confident73.5Confident88 Ų8886.4 Ų86.446%0.46150%0.504SS..EExtended strand (participates in β ladder)trans-90.8142.4176.6-66170.3000109.3K5K5-L298 HydrophobicContact CB-CD2 4.27Å; K5-L298 HydrophobicContact CD-CD1 4.34Å
299M83.1Confident71.1Confident87 Ų8787.3 Ų87.343%0.42951%0.514SS..EExtended strand (participates in β ladder)trans-117.1140.7165.6-69.6177.776.400108.5V6 K8V6-M299 PolarHBondContact N-O 3.43Å; V6-M299 PolarHBondContact O-N 3.47Å; K8-M299 HydrophobicContact CB-SD 4.34Å; K8-M299 HydrophobicContact CD-CG 4.32Å; K8-M299 HydrophobicContact CG-CG 3.44Å; K8-M299 VanDerWaalsContact CG-CG 3.44Å; K8-M299 HydrophobicContact CG-SD 3.62Å
300Q78.3Confident68.8Low129 Ų12993.4 Ų93.460%0.60355%0.545SS*.EExtended strand (participates in β ladder)trans-86.7122.6169.2-158.8159.526.700106.7T3 D302T3-Q300 HydrophobicContact CG2-CG 4.11Å; T3-Q300 PolarHBondContact OG1-NE2 3.43Å; Q300-D302 PolarHBondContact O-N 3.49Å
301E68.4Low66Low70 Ų7091.1 Ų91.133%0.32754%0.541SS..  trans-77.5116166.5-80.5-174.1153.700107.6V6 K11 S303V6-E301 HydrophobicContact CB-CG 4.4Å; V6-E301 HydrophobicContact CG2-CG 3.8Å; K11-E301 WeakPolarHBondContact CE-OE1 3.39Å; K11-E301 IonicContact NZ-OE1 2.88Å; K11-E301 PolarHBondContact NZ-OE1 3.21Å; E301-S303 PolarHBondContact O-N 3.29Å
302D60.5Low63.6Low147 Ų14795.1 Ų95.179%0.78657%0.566SS**  trans-62.8128.4166.8-66.9-35.4000108.2Q300Q300-D302 PolarHBondContact O-N 3.49Å
303S45.1Very low60.4Low71 Ų7196.6 Ų96.650%0.49758%0.579SS.*  trans-65.6140.8-178-139.70000109.6E301 A305E301-S303 PolarHBondContact O-N 3.29Å; S303-A305 PolarHBondContact O-N 3.1Å
304P49.6Very low57.3Low123 Ų123100.8 Ų100.880%0.79961%0.61SS**G310 helixtrans-60-2-178.7-22.131.7000115.9A306P304-A306 VanDerWaalsContact C-N 3.34Å; P304-A306 PolarHBondContact O-N 3.22Å
305A44.4Very low54.8Low80 Ų80106.3 Ų106.366%0.66163%0.63SS**G310 helixtrans-80.9-3.6-172.600000115.1S303S303-A305 PolarHBondContact O-N 3.1Å
306A40.9Very low51.9Low90 Ų90111.9 Ų111.974%0.74466%0.663SS**G310 helixtrans-100.24-176.900000114.8P304P304-A306 VanDerWaalsContact C-N 3.34Å; P304-A306 PolarHBondContact O-N 3.22Å
307A39.4Very low49.4Very low86 Ų86114.8 Ų114.871%0.71169%0.686SS**SBendtrans-89.52.8-177.100000115
308N38.3Very low46.7Very low162 Ų162119.5 Ų119.587%0.86672%0.715SS**  trans-126.176.6177.6-75.7-12000111
309S35.1Very low43.8Very low108 Ų108122 Ų12276%0.75573%0.733SS**  trans-152.974.5152.765.10000109.1G311S309-G311 PolarHBondContact O-N 2.92Å
310E41.7Very low41.2Very low210 Ų210122 Ų12298%0.98175%0.747SS**  trans-68.3107.6155.8-74-172162.700107.5
311G31.9Very low38.6Very low62 Ų62125 Ų12564%0.63976%0.761SS**  trans-122.4133.2166.800000108.5S309S309-G311 PolarHBondContact O-N 2.92Å
312P43.2Very low36.6Very low127 Ų127127.8 Ų127.883%0.82578%0.783SS**  trans-85.8120.5-174.832-29.5000110.3
313C27.8Very low34.8Very low119 Ų119127 Ų12780%0.80478%0.784SS**  trans-157103.8164.1-89.10000107.7
314S27.7Very low34Very low105 Ų105132.8 Ų132.873%0.73480%0.8SS**  82.8116.890.366.30000112.2D316S314-D316 PolarHBondContact O-N 3.26Å
315F38.8Very low32.8Very low208 Ų208133.3 Ų133.391%0.91280%0.801SS**  trans-53.1126.1171-80.7-96.9000110.8
316D29.1Very low31.9Very low157 Ų157135.4 Ų135.484%0.8481%0.806SS**  trans-158.5121.2146.4-91.2-34.5000109.5S314S314-D316 PolarHBondContact O-N 3.26Å
317N36.9Very low31.3Very low167 Ų167135.1 Ų135.189%0.89380%0.803SS**  trans-71139.4166.7-85-40.9000108.9
318P32.8Very low30.7Very low114 Ų114137 Ų13774%0.7481%0.808SS**  -143.8137.8117.327.5-8.3000115.1
319V26.9Very low30.4Very low139 Ų139137 Ų13784%0.84281%0.808SS**  trans41.3116139.3-170.80000118.8
320A28.4Very low30.3Very low88 Ų88138.9 Ų138.973%0.72781%0.808SS**  trans-51.7129.3173.700000115
321Q23.7Very low29.5Very low191 Ų191134.2 Ų134.289%0.89380%0.795SS**  trans-113.9114.8148.7-88.2-176.3-9.200109T323Q321-T323 PolarHBondContact O-N 3.02Å
322T25.8Very low29.4Very low129 Ų129138.7 Ų138.779%0.79180%0.804SS**  trans-79103.8179.724.20000110.2K324T322-K324 PolarHBondContact O-N 3.31Å
323T24Very low28.8Very low132 Ų132141.5 Ų141.581%0.8181%0.807SS**  trans-88.395.2157.136.20000109.2Q321 T325Q321-T323 PolarHBondContact O-N 3.02Å; T323-T325 PolarHBondContact O-N 3.04Å; T323-T325 VanDerWaalsContact O-N 3.1Å
324K27.6Very low28.9Very low192 Ų192144.1 Ų144.184%0.83581%0.807SS**  trans-56.5108.6165.3-77.5177.5174.5175.20109.1T322T322-K324 PolarHBondContact O-N 3.31Å
325T24.3Very low28.7Very low133 Ų133145.3 Ų145.382%0.81681%0.81SS**  trans-107.589158.4-50.20000107.4T323 A327T323-T325 PolarHBondContact O-N 3.04Å; T323-T325 VanDerWaalsContact O-N 3.1Å; T325-A327 PolarHBondContact O-N 3.16Å
326T26Very low28.2Very low125 Ų125140.5 Ų140.577%0.76780%0.8SS**  trans-73.1103.3173.4-8.20000108.4
327A27.1Very low28.2Very low83 Ų83139.7 Ų139.769%0.68680%0.795SS**PPolyproline II helixtrans-77.9138.515700000108.2T325 L329T325-A327 PolarHBondContact O-N 3.16Å; A327-L329 PolarHBondContact O-N 2.72Å
328P27.9Very low28Very low125 Ų125139.2 Ų139.281%0.81279%0.792SS**PPolyproline II helixtrans-72120.8-168.2-10.425.7000111I330P328-I330 PolarHBondContact O-N 3.03Å
329L31.3Very low27.7Very low164 Ų164140.6 Ų140.686%0.85980%0.798SS**PPolyproline II helixtrans-58.5130153.3-71.3164.6000107.6A327 P331A327-L329 PolarHBondContact O-N 2.72Å; L329-P331 WeakPolarHBondContact O-CD 3.41Å
330I32.8Very low27.7Very low147 Ų147143 Ų14375%0.75480%0.798SS**PPolyproline II helixtrans-57123.3172.5-61.4174.8000107.9P328 N332P328-I330 PolarHBondContact O-N 3.03Å; I330-N332 PolarHBondContact O-N 2.95Å
331P25.7Very low27.5Very low111 Ų111146.6 Ų146.672%0.72180%0.804SS**PPolyproline II helixtrans-68.9121.2174.2-16.530.3000110.1L329L329-P331 WeakPolarHBondContact O-CD 3.41Å
332N29.6Very low27.7Very low156 Ų156142.6 Ų142.683%0.83480%0.797SS**  trans-82.8103.1157.4-96.6-7.1000107.1I330 H334I330-N332 PolarHBondContact O-N 2.95Å; N332-H334 PolarHBondContact O-N 3.44Å
333E30.5Very low27.7Very low187 Ų187144 Ų14487%0.87480%0.798SS**  trans-84.892.1162.3-79-169.1126.500109.2
334H29Very low27.9Very low174 Ų174142.3 Ų142.381%0.80680%0.798SS**  trans177.9105.8133.6-127.457.9000109.1N332N332-H334 PolarHBondContact O-N 3.44Å
335T25.3Very low27.9Very low130 Ų130137.6 Ų137.680%0.79879%0.794SS**  trans-131.9128.6159.140.90000107.8
336P27.2Very low28Very low107 Ų107140.9 Ų140.970%0.69580%0.8SS**  trans-94.1112.1139.56.812.6000107.7
337D29.1Very low28Very low140 Ų140144.9 Ų144.975%0.74981%0.807SS**SBendtrans35.7136.7144.9-53.1-34000121.8
338D33.7Very low27.9Very low156 Ų156146.5 Ų146.583%0.83481%0.813SS**  trans72.591.2161.7-58.5-30.6000119
339V26.9Very low27.9Very low143 Ų143146.1 Ų146.187%0.86781%0.813SS**  trans-131.5105.2150.7-175.90000110.8
340K26Very low27.5Very low191 Ų191141.7 Ų141.783%0.8381%0.807SS**  trans-66.5128.1168.5-169.4174.9-175.9178.80109.8S342K340-S342 PolarHBondContact O-N 3.28Å
341L23.6Very low27.9Very low163 Ų163140.4 Ų140.485%0.85381%0.809SS**  trans-68.9117.6166.6-110.294.7000109
342S27.8Very low27.9Very low106 Ų106143.9 Ų143.974%0.74181%0.812SS**  trans-121.1110.3163.658.80000109.7K340K340-S342 PolarHBondContact O-N 3.28Å
343I27.4Very low27.9Very low158 Ų158143.1 Ų143.181%0.8181%0.808SS**  trans-81.9119.3162.2-63.1172.4000106
344A27.6Very low27.8Very low98 Ų98142.4 Ų142.481%0.8181%0.811SS**  trans-131.7113.6165.900000108.9
345A27.2Very low27.7Very low92 Ų92142.8 Ų142.876%0.7681%0.813SS**  trans-91133.9161.800000107.2
346E26.9Very low28.8Very low203 Ų203141.3 Ų141.395%0.94981%0.805SS**  trans-146135.3162.1-118.8170.4-168.800112.3
347K25.3Very low29Very low209 Ų209142.4 Ų142.491%0.90981%0.813SS**  trans-86.2156.9-175-92.4171.1169.4175.90111
348S25.7Very low29.1Very low116 Ų116140.3 Ų140.381%0.81181%0.814SS**  trans-66.2147.1172.862.70000115
349S27.5Very low28.9Very low117 Ų117137.1 Ų137.182%0.81881%0.81SS**  trans-165122.8142.253.80000111.3
350G23.7Very low29Very low71 Ų71139.3 Ų139.373%0.73281%0.813SS**  trans-96.1-168.3150.500000109.8
351P39.6Very low29.3Very low121 Ų121138 Ų13879%0.78681%0.814SS**  cis-138.6174.94.736.8-16.4000115.7
352K27.4Very low30.2Very low183 Ų183135.5 Ų135.580%0.79681%0.807SS**  161.1124.3123.7-89.4-176.8177.3-1770115
353D28.5Very low30.7Very low140 Ų140136.2 Ų136.275%0.74981%0.81SS**  trans34.8124.4136-53-29.4000122.7
354D28.7Very low31.1Very low172 Ų172136.4 Ų136.492%0.9281%0.812SS**  -169.5137.9120.8-92.8-25000111.1
355Q26.6Very low31.3Very low182 Ų182136.7 Ų136.785%0.8581%0.814SS**  trans-156.8165.9-179-171.6153.82700109.7
356P47.8Very low31.7Very low99 Ų99137.3 Ų137.364%0.64381%0.812SS**  cis-124.5-156.9-3030.5-8.9000112
357P32.8Very low32.4Very low131 Ų131133.2 Ų133.285%0.85180%0.804SS**  -134.8154.1100.831.4-16.2000117.3
358A30.7Very low32.9Very low95 Ų95132.7 Ų132.779%0.78580%0.804SS**  trans-49.6172.6169.300000115.4
359A29.9Very low33.4Very low89 Ų89133.1 Ų133.174%0.73680%0.802SS**  cis-174.6155.7-12.400000106.2
360M29.4Very low33.7Very low190 Ų190135.6 Ų135.694%0.93681%0.806SS**  trans174.4107.8132.1-102.5178156.400111.4
361L31.7Very low34.3Very low164 Ų164136.5 Ų136.586%0.85981%0.807SS**  trans-101.9174.1142.2-79.7162.4000105.9
362P41.5Very low34.1Very low109 Ų109139 Ų13971%0.70881%0.808SS**  cis-141.5-147.414.549.2-27.3000109.5
363P39.8Very low34.4Very low121 Ų121135.7 Ų135.779%0.78680%0.803SS**  cis-127.4155.121.530.7-7.6000117.7
364L34.7Very low34.8Very low163 Ų163134.2 Ų134.285%0.85380%0.804SS**  trans-63.5147.5157.9-85.4103000111.8
365A31.5Very low35.4Very low103 Ų103137.5 Ų137.585%0.85182%0.819SS**  trans-131.3133.2144.600000108.7
366S35.7Very low35.9Very low105 Ų105135.3 Ų135.373%0.73482%0.818SS**  trans-108.5-173.5170.952.40000108.9
367P42.7Very low35.2Very low118 Ų118137.2 Ų137.277%0.76683%0.827SS**  -113.9157-72.235.6-21.6000110.7
368E34.5Very low35.4Very low198 Ų198137.5 Ų137.593%0.92583%0.826SS**  trans-126.8125.2163.1-81.2-175.6153.300110.8
369T36.8Very low35.6Very low125 Ų125140 Ų14077%0.76783%0.828SS**  trans-60.7145.8162.243.10000110.5
370D34.2Very low36Very low168 Ų168143.2 Ų143.290%0.89883%0.834SS**  trans-160.2142.5132.2-92.3-23.9000111.3
371A36.7Very low36.4Very low91 Ų91140.1 Ų140.175%0.75283%0.827SS**  trans-94.1172.8-178.600000111.2
372E34.5Very low36.8Very low172 Ų172138.4 Ų138.480%0.80483%0.825SS**  trans89.3113.3152.6-70.1-164.2132.300121.4
373T34Very low36.4Very low114 Ų114140.6 Ų140.670%0.69983%0.834SS**  101.6131.6119.351.90000122
374S37.6Very low36.1Very low110 Ų110142.3 Ų142.377%0.76984%0.838SS**  trans76.4129.9152.5-430000116
375I40.7Very low36.3Very low240 Ų240140.4 Ų140.4100%1.23184%0.836SS**  cis-145.5026.5-75173.5000108.2

Retrieved 375 of 375 residues in 420.4 ms (Link to these results)

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