A0A077ZK68_TRITR Loading...

Beta-mannosyltransferase bre- beta mannosyltran sferase egh

AlphaFold DB , UniProt , Accession A0A077ZK68, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 219 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
1M45Very low70.1Confident96 Ų9663.4 Ų63.447%0.47328%0.284SS..  0-35.10-105.5174.2176.100114.6K3 C4 K161M1-K3 PolarHBondContact O-N 3.38Å; M1-C4 WeakPolarHBondContact O-CB 3.47Å; M1-C4 PolarHBondContact O-N 3.26Å; M1-K161 HydrophobicContact CE-CD 4.09Å; M1-K161 HydrophobicContact SD-CB 4.22Å; M1-K161 HydrophobicContact SD-CD 4.13Å; M1-K161 HydrophobicContact SD-CG 4.3Å
2T52.6Low71.3Confident45 Ų4575.3 Ų75.328%0.27633%0.325SS..Hα-helixtrans-46.9-49.8-177.72.40000115.3C4 M154 Y155T2-C4 VanDerWaalsContact C-N 3.31Å; T2-C4 PolarHBondContact O-N 2.94Å; T2-M154 HydrophobicContact CG2-CB 4.08Å; T2-M154 WeakPolarHBondContact CG2-O 3.34Å; T2-Y155 HydrophobicContact CG2-CD2 4.1Å; T2-Y155 HydrophobicContact CG2-CG 4.47Å; T2-Y155 VanDerWaalsContact CG2-N 3.32Å
3K57.1Low72.5Confident97 Ų9775 Ų7542%0.42234%0.337SS..Hα-helixtrans-66.7-29.4-179.3-69.2-169.1173.3-1680113.1M1 R5M1-K3 PolarHBondContact O-N 3.38Å; K3-R5 VanDerWaalsContact C-N 3.34Å; K3-R5 PolarHBondContact O-N 3.14Å
4C59.4Low73.6Confident15 Ų1577.1 Ų77.110%0.10135%0.346CS..Hα-helixtrans-64.8-35.7-177.6-67.50000112.8M1 T2 L7 R8 K22 F65M1-C4 WeakPolarHBondContact O-CB 3.47Å; M1-C4 PolarHBondContact O-N 3.26Å; T2-C4 VanDerWaalsContact C-N 3.31Å; T2-C4 PolarHBondContact O-N 2.94Å; C4-L7 PolarHBondContact O-N 3.35Å; C4-R8 WeakPolarHBondContact O-CB 3.43Å; C4-R8 PolarHBondContact O-N 2.88Å; C4-K22 VanDerWaalsContact SG-CE 3.58Å; C4-K22 PolarHBondContact SG-NZ 2.98Å; C4-F65 HydrophobicContact CB-CZ 4.14Å
5R64.9Low74.6Confident106 Ų10676.1 Ų76.140%0.434%0.342SS..Hα-helixtrans-71.8-38.3-175.9-83.5-170.1170-121.1-4.3113.5K3 L7 R8 F9 M154K3-R5 VanDerWaalsContact C-N 3.34Å; K3-R5 PolarHBondContact O-N 3.14Å; R5-L7 VanDerWaalsContact C-N 3.26Å; R5-L7 PolarHBondContact O-N 3.35Å; R5-R8 PolarHBondContact O-N 2.87Å; R5-F9 PolarHBondContact O-N 3.3Å; R5-M154 HydrophobicContact CB-CE 3.39Å; R5-M154 HydrophobicContact CB-SD 4.43Å
6K75.2Confident75.6Confident99 Ų9978.2 Ų78.243%0.4335%0.347SS..Hα-helixtrans-57.9-44.4174.5-63.6-172-179.3-174.10110.7F9 Q10 N151 M154K6-F9 PolarHBondContact O-N 3.13Å; K6-Q10 PolarHBondContact O-N 3.43Å; K6-N151 PolarHBondContact NZ-OD1 3.22Å; K6-M154 HydrophobicContact CG-CE 3.61Å
7L80Confident76.3Confident19 Ų1973.6 Ų73.610%0.09933%0.326CS..Hα-helixtrans-70-40177.6-65.8175.4000112.5C4 R5 F9 Q10 F11 K22C4-L7 PolarHBondContact O-N 3.35Å; R5-L7 VanDerWaalsContact C-N 3.26Å; R5-L7 PolarHBondContact O-N 3.35Å; L7-F9 VanDerWaalsContact C-N 3.31Å; L7-F9 PolarHBondContact O-N 2.68Å; L7-Q10 WeakPolarHBondContact O-CB 3.48Å; L7-Q10 PolarHBondContact O-N 3.43Å; L7-F11 HydrophobicContact CB-CD2 4.37Å; L7-F11 HydrophobicContact CB-CE2 4.15Å; L7-F11 WeakPolarHBondContact O-CD2 3.39Å; L7-F11 PolarHBondContact O-N 3.08Å; L7-K22 HydrophobicContact CD1-CB 3.21Å; L7-K22 HydrophobicContact CD1-CD 4.32Å; L7-K22 HydrophobicContact CD1-CG 4.33Å
8R81.9Confident77Confident78 Ų7870.3 Ų70.329%0.29431%0.312SS..Hα-helixtrans-57.7-45.2173.6178.2-178.6-101.5-133.6-11.5111.4C4 R5 F11 R12 F65 I66 D67C4-R8 WeakPolarHBondContact O-CB 3.43Å; C4-R8 PolarHBondContact O-N 2.88Å; R5-R8 PolarHBondContact O-N 2.87Å; R8-F11 PolarHBondContact O-N 3.46Å; R8-R12 VanDerWaalsContact O-CB 3.26Å; R8-R12 WeakPolarHBondContact O-CB 3.42Å; R8-R12 PolarHBondContact O-N 3.32Å; R8-F65 HydrophobicContact CB-CD1 4.07Å; R8-F65 HydrophobicContact CB-CD2 4.3Å; R8-F65 HydrophobicContact CB-CE1 4.33Å; R8-F65 HydrophobicContact CB-CG 4.04Å; R8-F65 HydrophobicContact CG-CB 4.35Å; R8-F65 HydrophobicContact CG-CD1 3.99Å; R8-F65 HydrophobicContact CG-CG 4.18Å; R8-I66 PolarHBondContact NH2-O 3.46Å; R8-D67 IonicContact CZ-OD1 3.2Å; R8-D67 IonicContact NH1-OD1 3.29Å; R8-D67 PolarHBondContact NH1-OD1 2.88Å; R8-D67 IonicContact NH2-OD1 2.92Å; R8-D67 PolarHBondContact NH2-OD1 2.97Å
9F83.8Confident77.6Confident136 Ų13672.2 Ų72.260%0.59632%0.32SS*.Hα-helixtrans-61.3-47.4175.7178.9-100.4000111.2R5 K6 L7 F11 R12 C13R5-F9 PolarHBondContact O-N 3.3Å; K6-F9 PolarHBondContact O-N 3.13Å; L7-F9 VanDerWaalsContact C-N 3.31Å; L7-F9 PolarHBondContact O-N 2.68Å; F9-F11 PolarHBondContact O-N 2.94Å; F9-R12 PolarHBondContact O-N 3.22Å; F9-C13 WeakPolarHBondContact CE2-SG 3.03Å; F9-C13 PolarHBondContact O-N 3.07Å
10Q85.9Confident77.9Confident6 Ų669.1 Ų69.13%0.02831%0.31CS..Hα-helixtrans-54.9-49.2176.8-179.5-172-73.100112.4K6 L7 F14 R16 L18 G20K6-Q10 PolarHBondContact O-N 3.43Å; L7-Q10 WeakPolarHBondContact O-CB 3.48Å; L7-Q10 PolarHBondContact O-N 3.43Å; Q10-F14 WeakPolarHBondContact O-CB 3.35Å; Q10-F14 PolarHBondContact O-N 2.92Å; Q10-R16 WeakPolarHBondContact CG-O 3.42Å; Q10-R16 PolarHBondContact NE2-O 2.95Å; Q10-L18 HydrophobicContact CG-CB 4.47Å; Q10-L18 VanDerWaalsContact NE2-N 3.18Å; Q10-G20 PolarHBondContact NE2-O 2.94Å
11F85.3Confident78Confident0 Ų067.6 Ų67.60%030%0.302CS..Hα-helixtrans-73.1-30.9-179-67.1-58.1000112.9L7 R8 F9 Q15 P17 W21 V26 F63 F65L7-F11 HydrophobicContact CB-CD2 4.37Å; L7-F11 HydrophobicContact CB-CE2 4.15Å; L7-F11 WeakPolarHBondContact O-CD2 3.39Å; L7-F11 PolarHBondContact O-N 3.08Å; R8-F11 PolarHBondContact O-N 3.46Å; F9-F11 PolarHBondContact O-N 2.94Å; F11-Q15 WeakPolarHBondContact O-CA 3.11Å; F11-Q15 VanDerWaalsContact O-CG 3.31Å; F11-Q15 WeakPolarHBondContact O-CG 3.39Å; F11-Q15 PolarHBondContact O-N 3.09Å; F11-P17 HydrophobicContact CE1-CB 4.25Å; F11-W21 HydrophobicContact CE1-CE3 4.21Å; F11-W21 HydrophobicContact CE1-CZ3 4.02Å; F11-W21 AromaticContact CZ-CE3 3.65Å; F11-W21 HydrophobicContact CZ-CE3 3.65Å; F11-W21 AromaticContact CZ-CZ3 3.81Å; F11-W21 HydrophobicContact CZ-CZ3 3.81Å; F11-V26 HydrophobicContact CD2-CG1 4.43Å; F11-V26 HydrophobicContact CD2-CG2 4.2Å; F11-V26 HydrophobicContact CE1-CG1 4.43Å; F11-V26 HydrophobicContact CE2-CG1 4.03Å; F11-V26 HydrophobicContact CE2-CG2 3.59Å; F11-V26 HydrophobicContact CZ-CG1 4.03Å; F11-V26 HydrophobicContact CZ-CG2 4.2Å; F11-F63 HydrophobicContact CD1-CB 3.64Å; F11-F63 HydrophobicContact CE1-CB 3.68Å; F11-F63 HydrophobicContact CE1-CD2 4.33Å; F11-F63 HydrophobicContact CE1-CG 4.25Å; F11-F65 HydrophobicContact CB-CB 4.49Å; F11-F65 HydrophobicContact CD2-CD2 4.36Å
12R85.2Confident79.5Confident206 Ų20665.1 Ų65.178%0.77729%0.288SS*.Hα-helixtrans-68.8-41.5175.8-167.1173.2-167.7179.25.3112.4R8 F9R8-R12 VanDerWaalsContact O-CB 3.26Å; R8-R12 WeakPolarHBondContact O-CB 3.42Å; R8-R12 PolarHBondContact O-N 3.32Å; F9-R12 PolarHBondContact O-N 3.22Å
13C86.6Confident80.5Confident72 Ų7265.7 Ų65.749%0.48630%0.303SS..Hα-helixtrans-85.5-43.2-177.1-66.50000113F9F9-C13 WeakPolarHBondContact CE2-SG 3.03Å; F9-C13 PolarHBondContact O-N 3.07Å
14F87.7Confident81.6Confident105 Ų10562.3 Ų62.346%0.46129%0.292SS..Hα-helixtrans-109.2-19.4-171.6-58.4-74.3000113.9Q10 R16 L18Q10-F14 WeakPolarHBondContact O-CB 3.35Å; Q10-F14 PolarHBondContact O-N 2.92Å; F14-R16 HydrophobicContact CB-CB 4.35Å; F14-R16 VanDerWaalsContact O-CG 3.24Å; F14-R16 WeakPolarHBondContact O-CG 3.48Å; F14-R16 PolarHBondContact O-N 3.1Å; F14-R16 VanDerWaalsContact O-N 3.09Å; F14-L18 HydrophobicContact CB-CD1 4.05Å; F14-L18 HydrophobicContact CD1-CD1 4.19Å; F14-L18 HydrophobicContact CD2-CD1 4.03Å; F14-L18 HydrophobicContact CG-CD1 3.82Å
15Q88.9Confident82.6Confident62 Ų6263 Ų6329%0.2929%0.293SS..  trans52.826.3-173.2-58.2178.8-41.800113.8F11 R62 F63F11-Q15 WeakPolarHBondContact O-CA 3.11Å; F11-Q15 VanDerWaalsContact O-CG 3.31Å; F11-Q15 WeakPolarHBondContact O-CG 3.39Å; F11-Q15 PolarHBondContact O-N 3.09Å; Q15-R62 HydrophobicContact CB-CB 4.14Å; Q15-R62 HydrophobicContact CB-CG 4.47Å; Q15-R62 WeakPolarHBondContact O-CA 3.19Å; Q15-F63 WeakPolarHBondContact CA-O 3.49Å; Q15-F63 PolarHBondContact O-N 2.72Å
16R89.8Confident83.7Confident109 Ų10959.1 Ų59.141%0.41128%0.281SS..SBendtrans-135.8148.8-172.1-70168.2-176.8-155.710.9111.6Q10 F14 L18 Y57Q10-R16 WeakPolarHBondContact CG-O 3.42Å; Q10-R16 PolarHBondContact NE2-O 2.95Å; F14-R16 HydrophobicContact CB-CB 4.35Å; F14-R16 VanDerWaalsContact O-CG 3.24Å; F14-R16 WeakPolarHBondContact O-CG 3.48Å; F14-R16 PolarHBondContact O-N 3.1Å; F14-R16 VanDerWaalsContact O-N 3.09Å; R16-L18 VanDerWaalsContact C-N 3.3Å; R16-L18 HydrophobicContact CB-CD2 4.05Å; R16-L18 HydrophobicContact CB-CG 4.11Å; R16-L18 PolarHBondContact O-N 3.23Å; R16-Y57 HydrophobicContact CB-CD2 4.36Å; R16-Y57 HydrophobicContact CB-CE2 4.01Å; R16-Y57 VanDerWaalsContact CD-CE2 3.45Å; R16-Y57 HydrophobicContact CG-CD2 3.93Å; R16-Y57 HydrophobicContact CG-CE2 3.43Å; R16-Y57 VanDerWaalsContact CG-CE2 3.43Å; R16-Y57 PolarHBondContact NH1-OH 3.34Å; R16-Y57 VanDerWaalsContact NH1-OH 3.1Å
17P88.5Confident84.3Confident0 Ų057.3 Ų57.30%028%0.278CS..  trans-84.860.6-17736.7-35.7000112.2F11 W21 A53 M54 Y57 F63F11-P17 HydrophobicContact CE1-CB 4.25Å; P17-W21 HydrophobicContact CB-CE3 3.83Å; P17-W21 HydrophobicContact CB-CZ3 4.29Å; P17-A53 HydrophobicContact CB-CB 4.16Å; P17-A53 HydrophobicContact CG-CB 4.28Å; P17-M54 HydrophobicContact CB-CE 4.29Å; P17-M54 HydrophobicContact CG-CE 4.21Å; P17-M54 WeakPolarHBondContact O-CE 3.34Å; P17-Y57 HydrophobicContact CG-CD1 4.23Å; P17-Y57 HydrophobicContact CG-CG 4.09Å; P17-F63 HydrophobicContact CG-CD2 4.3Å; P17-F63 HydrophobicContact CG-CE2 3.92Å
18L89.3Confident84.8Confident14 Ų1458.5 Ų58.57%0.07329%0.286CS..SBendtrans-69.5-58.1-169.9-59.7179.5000114.1Q10 F14 R16 F108 L109Q10-L18 HydrophobicContact CG-CB 4.47Å; Q10-L18 VanDerWaalsContact NE2-N 3.18Å; F14-L18 HydrophobicContact CB-CD1 4.05Å; F14-L18 HydrophobicContact CD1-CD1 4.19Å; F14-L18 HydrophobicContact CD2-CD1 4.03Å; F14-L18 HydrophobicContact CG-CD1 3.82Å; R16-L18 VanDerWaalsContact C-N 3.3Å; R16-L18 HydrophobicContact CB-CD2 4.05Å; R16-L18 HydrophobicContact CB-CG 4.11Å; R16-L18 PolarHBondContact O-N 3.23Å; L18-F108 HydrophobicContact CB-CB 4.08Å; L18-F108 HydrophobicContact CB-CG 4.36Å; L18-F108 HydrophobicContact CD2-CD2 3.99Å; L18-F108 CarbonylContact O-C 3.23Å; L18-F108 VanDerWaalsContact O-C 3.23Å; L18-F108 WeakPolarHBondContact O-CB 3.32Å; L18-L109 PolarHBondContact O-N 3.04Å
19F86.9Confident85.3Confident107 Ų10760 Ų6047%0.46930%0.3SS..SBendtrans-97.24.4-171.8-64.4-77.1000113.8F108 S112F19-F108 HydrophobicContact CD1-CB 4.43Å; F19-F108 HydrophobicContact CE1-CB 4.4Å; F19-F108 AromaticContact CE1-CD1 3.89Å; F19-F108 HydrophobicContact CE1-CD1 3.89Å; F19-F108 AromaticContact CZ-CD1 3.93Å; F19-F108 HydrophobicContact CZ-CD1 3.93Å; F19-S112 WeakPolarHBondContact CA-OG 3.43Å; F19-S112 WeakPolarHBondContact CB-OG 3.33Å; F19-S112 WeakPolarHBondContact CD1-OG 3.48Å; F19-S112 WeakPolarHBondContact O-CB 3.49Å; F19-S112 PolarHBondContact O-OG 3.39Å
20G83.5Confident85.6Confident10 Ų1056.7 Ų56.710%0.10330%0.298CS..  trans147.4172.5-177.300000112.5Q10Q10-G20 PolarHBondContact NE2-O 2.94Å
21W80.4Confident86Confident38 Ų3858.4 Ų58.414%0.14431%0.31CS..  trans-128.5147.1175.6-175.1-94.5000109F11 P17 V26 D49 C50 A53 F63F11-W21 HydrophobicContact CE1-CE3 4.21Å; F11-W21 HydrophobicContact CE1-CZ3 4.02Å; F11-W21 AromaticContact CZ-CE3 3.65Å; F11-W21 HydrophobicContact CZ-CE3 3.65Å; F11-W21 AromaticContact CZ-CZ3 3.81Å; F11-W21 HydrophobicContact CZ-CZ3 3.81Å; P17-W21 HydrophobicContact CB-CE3 3.83Å; P17-W21 HydrophobicContact CB-CZ3 4.29Å; W21-V26 HydrophobicContact CE3-CG1 4.33Å; W21-V26 HydrophobicContact CH2-CB 4.04Å; W21-V26 HydrophobicContact CH2-CG1 3.27Å; W21-V26 HydrophobicContact CZ2-CB 3.98Å; W21-V26 HydrophobicContact CZ2-CG1 3.74Å; W21-V26 HydrophobicContact CZ3-CG1 3.61Å; W21-D49 VanDerWaalsContact CD1-C 3.45Å; W21-D49 PolarHBondContact NE1-O 3.23Å; W21-C50 HydrophobicContact CB-CB 4.25Å; W21-A53 HydrophobicContact CB-CB 4.32Å; W21-A53 HydrophobicContact CD2-CB 3.37Å; W21-A53 HydrophobicContact CE3-CB 3.16Å; W21-A53 HydrophobicContact CG-CB 3.91Å; W21-A53 HydrophobicContact CH2-CB 3.99Å; W21-A53 HydrophobicContact CZ2-CB 4.21Å; W21-A53 HydrophobicContact CZ3-CB 3.48Å; W21-A53 VanDerWaalsContact CZ3-CB 3.48Å; W21-F63 AromaticContact CH2-CD1 3.3Å; W21-F63 HydrophobicContact CH2-CD1 3.3Å; W21-F63 AromaticContact CH2-CE1 3.4Å; W21-F63 HydrophobicContact CH2-CE1 3.4Å; W21-F63 AromaticContact CH2-CG 3.89Å; W21-F63 HydrophobicContact CH2-CG 3.89Å; W21-F63 HydrophobicContact CH2-CZ 4.08Å; W21-F63 HydrophobicContact CZ3-CB 4.21Å; W21-F63 AromaticContact CZ3-CD1 3.5Å; W21-F63 HydrophobicContact CZ3-CD1 3.5Å; W21-F63 VanDerWaalsContact CZ3-CD1 3.5Å; W21-F63 AromaticContact CZ3-CD2 3.91Å; W21-F63 HydrophobicContact CZ3-CD2 3.91Å; W21-F63 AromaticContact CZ3-CE1 3.67Å; W21-F63 HydrophobicContact CZ3-CE1 3.67Å; W21-F63 HydrophobicContact CZ3-CE2 4.07Å; W21-F63 AromaticContact CZ3-CG 3.59Å; W21-F63 HydrophobicContact CZ3-CG 3.59Å; W21-F63 AromaticContact CZ3-CZ 3.93Å; W21-F63 HydrophobicContact CZ3-CZ 3.93Å
22K77.4Confident86.3Confident43 Ų4358.4 Ų58.419%0.18731%0.31CS..  trans-125126.6167.6173.9168.1166.7157.20106.6C4 L7 S24 V26 E72C4-K22 VanDerWaalsContact SG-CE 3.58Å; C4-K22 PolarHBondContact SG-NZ 2.98Å; L7-K22 HydrophobicContact CD1-CB 3.21Å; L7-K22 HydrophobicContact CD1-CD 4.32Å; L7-K22 HydrophobicContact CD1-CG 4.33Å; K22-S24 WeakPolarHBondContact CE-OG 3.37Å; K22-S24 PolarHBondContact O-N 3.46Å; K22-V26 WeakPolarHBondContact O-CG2 3.46Å; K22-E72 WeakPolarHBondContact CE-OE1 3.25Å; K22-E72 IonicContact NZ-OE1 2.89Å; K22-E72 PolarHBondContact NZ-OE1 2.8Å; K22-E72 IonicContact NZ-OE2 2.67Å; K22-E72 PolarHBondContact NZ-OE2 2.85Å
23G73.3Confident86.6Confident57 Ų5753.4 Ų53.459%0.58830%0.295SS*.SBendtrans-66.218.7179.300000116.2D49G23-D49 WeakPolarHBondContact CA-OD2 3.34Å; G23-D49 PolarHBondContact N-OD2 2.85Å
24S79.3Confident86.9Confident27 Ų2757.2 Ų57.219%0.18931%0.306CS..SBendtrans-145149.6178.159.20000112.1K22 V26 E72K22-S24 WeakPolarHBondContact CE-OG 3.37Å; K22-S24 PolarHBondContact O-N 3.46Å; S24-V26 PolarHBondContact O-N 3.05Å; S24-V26 VanDerWaalsContact O-N 3.11Å; S24-E72 WeakPolarHBondContact CB-OE1 3.44Å; S24-E72 PolarHBondContact OG-OE1 3.44Å
25F81.8Confident87.1Confident28 Ų2857.8 Ų57.812%0.12331%0.31CS..SBendtrans61.4-0.8-172.1-63.4-97.1000116.4F65 I66 M70 E72F25-F65 HydrophobicContact CB-CD1 4.18Å; F25-F65 HydrophobicContact CB-CD2 4.05Å; F25-F65 HydrophobicContact CB-CE1 3.55Å; F25-F65 HydrophobicContact CB-CE2 3.41Å; F25-F65 VanDerWaalsContact CB-CE2 3.41Å; F25-F65 HydrophobicContact CB-CG 4.42Å; F25-F65 HydrophobicContact CB-CZ 3.13Å; F25-F65 HydrophobicContact CD1-CE1 4.05Å; F25-F65 HydrophobicContact CD1-CZ 4.19Å; F25-F65 HydrophobicContact CD2-CZ 4.25Å; F25-F65 HydrophobicContact CG-CE1 4Å; F25-F65 HydrophobicContact CG-CE2 4.37Å; F25-F65 AromaticContact CG-CZ 3.68Å; F25-F65 HydrophobicContact CG-CZ 3.68Å; F25-F65 CarbonylContact O-C 3.58Å; F25-F65 WeakPolarHBondContact O-CA 3.45Å; F25-I66 PolarHBondContact O-N 3.21Å; F25-M70 HydrophobicContact CD1-CB 4.29Å; F25-M70 HydrophobicContact CE1-CB 3.4Å; F25-M70 HydrophobicContact CE2-CB 3.84Å; F25-M70 HydrophobicContact CZ-CB 3.17Å; F25-M70 HydrophobicContact CZ-CG 4.44Å; F25-E72 WeakPolarHBondContact CD2-OE1 3.35Å; F25-E72 HydrophobicContact CE2-CG 4.4Å; F25-E72 VanDerWaalsContact CE2-OE1 3.24Å; F25-E72 WeakPolarHBondContact CE2-OE1 3.38Å
26V87.1Confident87.2Confident26 Ų2655.5 Ų55.516%0.15830%0.3CS..EExtended strand (participates in β ladder)trans-89.7135.8175-170.70000108.9F11 W21 K22 S24 F63 Q64 F65F11-V26 HydrophobicContact CD2-CG1 4.43Å; F11-V26 HydrophobicContact CD2-CG2 4.2Å; F11-V26 HydrophobicContact CE1-CG1 4.43Å; F11-V26 HydrophobicContact CE2-CG1 4.03Å; F11-V26 HydrophobicContact CE2-CG2 3.59Å; F11-V26 HydrophobicContact CZ-CG1 4.03Å; F11-V26 HydrophobicContact CZ-CG2 4.2Å; W21-V26 HydrophobicContact CE3-CG1 4.33Å; W21-V26 HydrophobicContact CH2-CB 4.04Å; W21-V26 HydrophobicContact CH2-CG1 3.27Å; W21-V26 HydrophobicContact CZ2-CB 3.98Å; W21-V26 HydrophobicContact CZ2-CG1 3.74Å; W21-V26 HydrophobicContact CZ3-CG1 3.61Å; K22-V26 WeakPolarHBondContact O-CG2 3.46Å; S24-V26 PolarHBondContact O-N 3.05Å; S24-V26 VanDerWaalsContact O-N 3.11Å; V26-F63 HydrophobicContact CG1-CB 4.09Å; V26-F63 HydrophobicContact CG1-CD1 4.45Å; V26-Q64 WeakPolarHBondContact CA-O 3.41Å; V26-F65 HydrophobicContact CG2-CD2 4.29Å
27V88.9Confident87.2Confident61 Ų6153 Ų5337%0.3730%0.299SS..EExtended strand (participates in β ladder)trans-119.6148.4176.6-71.60000110.5F63 Q64 I66V27-F63 WeakPolarHBondContact O-CA 3.47Å; V27-Q64 HydrophobicContact CG2-CB 3.9Å; V27-Q64 VanDerWaalsContact CG2-O 3.3Å; V27-Q64 WeakPolarHBondContact CG2-O 3.37Å; V27-Q64 PolarHBondContact N-O 3.37Å; V27-Q64 PolarHBondContact O-N 2.98Å; V27-I66 HydrophobicContact CG1-CD1 3.58Å; V27-I66 HydrophobicContact CG1-CG1 3.38Å; V27-I66 HydrophobicContact CG2-CG1 4.41Å
28T90.3Very high87.1Confident43 Ų4357.1 Ų57.126%0.26432%0.317SS..EExtended strand (participates in β ladder)trans-139.1165.1176.1-169.90000108.8A32 F52T28-A32 HydrophobicContact CG2-CB 4.27Å; T28-A32 VanDerWaalsContact OG1-CB 3.31Å; T28-A32 WeakPolarHBondContact OG1-CB 3.18Å; T28-F52 HydrophobicContact CG2-CE1 4.04Å; T28-F52 HydrophobicContact CG2-CZ 3.96Å
29L90.7Very high87.1Confident110 Ų11062.7 Ų62.758%0.57635%0.347SS*.  trans-63.2140171.6-65.4174.3000110.1S31 A32 Y61L29-S31 PolarHBondContact O-N 3.15Å; L29-S31 VanDerWaalsContact O-N 3.17Å; L29-A32 WeakPolarHBondContact O-CA 3.34Å; L29-A32 WeakPolarHBondContact O-CB 3.45Å; L29-A32 PolarHBondContact O-N 3.22Å; L29-Y61 HydrophobicContact CD1-CD1 4.46Å
30A91.7Very high87Confident67 Ų6759.3 Ų59.355%0.55433%0.334SS*.Hα-helixtrans-56.2-32.2174.900000112.3A32 E33 Q34A30-A32 VanDerWaalsContact C-N 3.26Å; A30-A32 PolarHBondContact O-N 3.48Å; A30-E33 WeakPolarHBondContact O-CB 3.45Å; A30-E33 PolarHBondContact O-N 3.25Å; A30-Q34 WeakPolarHBondContact O-CG 3.26Å; A30-Q34 PolarHBondContact O-N 3.28Å
31S92.6Very high87Confident41 Ų4160.1 Ų60.129%0.28734%0.342SS..Hα-helixtrans-63.7-29.3174.159.90000113.4L29 H35L29-S31 PolarHBondContact O-N 3.15Å; L29-S31 VanDerWaalsContact O-N 3.17Å; S31-H35 VanDerWaalsContact O-CB 3.24Å; S31-H35 WeakPolarHBondContact O-CB 3.22Å; S31-H35 PolarHBondContact O-N 2.9Å
32A92.2Very high87Confident0 Ų064 Ų640%037%0.372CS..Hα-helixtrans-67-42.317400000111T28 L29 A30 H35 V36 F52 Y61T28-A32 HydrophobicContact CG2-CB 4.27Å; T28-A32 VanDerWaalsContact OG1-CB 3.31Å; T28-A32 WeakPolarHBondContact OG1-CB 3.18Å; L29-A32 WeakPolarHBondContact O-CA 3.34Å; L29-A32 WeakPolarHBondContact O-CB 3.45Å; L29-A32 PolarHBondContact O-N 3.22Å; A30-A32 VanDerWaalsContact C-N 3.26Å; A30-A32 PolarHBondContact O-N 3.48Å; A32-H35 PolarHBondContact O-N 2.98Å; A32-V36 WeakPolarHBondContact O-CB 3.22Å; A32-V36 WeakPolarHBondContact O-CG2 3.24Å; A32-V36 PolarHBondContact O-N 3.44Å; A32-F52 HydrophobicContact CB-CZ 4.41Å; A32-Y61 HydrophobicContact CB-CD1 3.53Å; A32-Y61 HydrophobicContact CB-CD2 3.84Å; A32-Y61 HydrophobicContact CB-CE1 3.79Å; A32-Y61 HydrophobicContact CB-CE2 4.1Å; A32-Y61 HydrophobicContact CB-CG 3.56Å
33E91.4Very high87Confident101 Ų10167.9 Ų67.947%0.47239%0.386SS..Hα-helixtrans-63.2-46.5175.6-173.4175178.600111.1A30 H35 S37 F38A30-E33 WeakPolarHBondContact O-CB 3.45Å; A30-E33 PolarHBondContact O-N 3.25Å; E33-H35 PolarHBondContact O-N 3.39Å; E33-S37 VanDerWaalsContact O-CA 3.28Å; E33-S37 WeakPolarHBondContact O-CA 3.35Å; E33-S37 PolarHBondContact O-N 2.8Å; E33-F38 HydrophobicContact CG-CD2 4.47Å; E33-F38 HydrophobicContact CG-CE2 3.99Å
34Q92.6Very high87.5Confident153 Ų15365.1 Ų65.172%0.71536%0.358SS*.Hα-helixtrans-63.1-40.3177.3-69.7175-15.600112.9A30A30-Q34 WeakPolarHBondContact O-CG 3.26Å; A30-Q34 PolarHBondContact O-N 3.28Å
35H91.7Very high87.6Confident116 Ų11666 Ų6654%0.53736%0.363SS..Hα-helixtrans-82.3-25.4-176.2-72.4179.2000114.3S31 A32 E33 K59 Y61S31-H35 VanDerWaalsContact O-CB 3.24Å; S31-H35 WeakPolarHBondContact O-CB 3.22Å; S31-H35 PolarHBondContact O-N 2.9Å; A32-H35 PolarHBondContact O-N 2.98Å; E33-H35 PolarHBondContact O-N 3.39Å; H35-K59 PolarHBondContact O-NZ 3.47Å; H35-Y61 PolarHBondContact ND1-OH 3.4Å
36V91.2Very high87.8Confident14 Ų1464.9 Ų64.99%0.08536%0.359CS..Hα-helixtrans-105.3-39.1-177.2177.70000111.4A32 F52 V55 A56 K59A32-V36 WeakPolarHBondContact O-CB 3.22Å; A32-V36 WeakPolarHBondContact O-CG2 3.24Å; A32-V36 PolarHBondContact O-N 3.44Å; V36-F52 HydrophobicContact CB-CD2 3.91Å; V36-F52 HydrophobicContact CB-CE2 3.79Å; V36-F52 HydrophobicContact CG1-CD2 3.6Å; V36-F52 HydrophobicContact CG1-CE2 4.02Å; V36-V55 HydrophobicContact CB-CG1 4.41Å; V36-V55 HydrophobicContact CG1-CB 3.65Å; V36-V55 HydrophobicContact CG1-CG1 3.54Å; V36-V55 HydrophobicContact CG2-CG1 4.04Å; V36-A56 HydrophobicContact CG2-CB 4.08Å; V36-K59 HydrophobicContact CG2-CD 3.8Å
37S90Very high87.8Confident56 Ų5663.9 Ų63.939%0.39235%0.354SS..  trans58.6162.3-169.9-170.40000113.6E33 D39 N40 F52E33-S37 VanDerWaalsContact O-CA 3.28Å; E33-S37 WeakPolarHBondContact O-CA 3.35Å; E33-S37 PolarHBondContact O-N 2.8Å; S37-D39 PolarHBondContact OG-N 2.88Å; S37-N40 PolarHBondContact O-ND2 2.97Å; S37-F52 WeakPolarHBondContact O-CD2 3.39Å
38F87.8Confident87.8Confident87 Ų8764.2 Ų64.238%0.38235%0.351SS..SBendtrans-85.1-15.7171.4-71.7-82.2000112.3E33 N40 F52E33-F38 HydrophobicContact CG-CD2 4.47Å; E33-F38 HydrophobicContact CG-CE2 3.99Å; F38-N40 PolarHBondContact O-N 3.21Å; F38-N40 VanDerWaalsContact O-N 3.15Å; F38-N40 PolarHBondContact O-ND2 3.29Å; F38-F52 HydrophobicContact CD1-CB 3.88Å; F38-F52 HydrophobicContact CD1-CD2 4.4Å; F38-F52 HydrophobicContact CD1-CG 4.06Å; F38-F52 HydrophobicContact CE1-CB 3.86Å; F38-F52 AromaticContact CE1-CD1 3.84Å; F38-F52 HydrophobicContact CE1-CD1 3.84Å; F38-F52 HydrophobicContact CE1-CD2 4.24Å; F38-F52 HydrophobicContact CE1-CE1 4.49Å; F38-F52 AromaticContact CE1-CG 3.7Å; F38-F52 HydrophobicContact CE1-CG 3.7Å; F38-F52 HydrophobicContact CZ-CD1 4.08Å; F38-F52 HydrophobicContact CZ-CD2 4.4Å; F38-F52 HydrophobicContact CZ-CE1 4.27Å; F38-F52 HydrophobicContact CZ-CG 4.14Å
39D87.4Confident87.8Confident131 Ų13163.9 Ų63.970%0.70135%0.348SS*.  trans-84.188.8177.6-1685.2000111.5S37S37-D39 PolarHBondContact OG-N 2.88Å
40N85.4Confident87.8Confident37 Ų3758.8 Ų58.820%0.19832%0.321CS..  trans-112.526.1179.6-63.9-89.6000111.9S37 F38 Y51S37-N40 PolarHBondContact O-ND2 2.97Å; F38-N40 PolarHBondContact O-N 3.21Å; F38-N40 VanDerWaalsContact O-N 3.15Å; F38-N40 PolarHBondContact O-ND2 3.29Å; N40-Y51 HydrophobicContact CB-CD1 3.36Å; N40-Y51 HydrophobicContact CB-CE1 3.48Å; N40-Y51 VanDerWaalsContact CB-CE1 3.48Å; N40-Y51 HydrophobicContact CB-CG 4.35Å
41G84.4Confident87.8Confident26 Ų2655.7 Ų55.727%0.26830%0.295SS..Hα-helixtrans70.6-175.2179.900000115R43 G44 S45G41-R43 VanDerWaalsContact C-N 3.3Å; G41-R43 PolarHBondContact O-N 3.4Å; G41-R43 VanDerWaalsContact O-N 3.13Å; G41-G44 PolarHBondContact O-N 3.32Å; G41-S45 PolarHBondContact O-N 2.95Å; G41-S45 VanDerWaalsContact O-N 3.1Å; G41-S45 PolarHBondContact O-OG 3.44Å
42P80.8Confident87.8Confident119 Ų11953.9 Ų53.977%0.77328%0.282SS*.Hα-helixtrans-60.9-31.4-164.4-26.634.6000115.4
43R77Confident87.8Confident125 Ų12553.9 Ų53.947%0.47228%0.282SS..Hα-helixtrans-73.2-30.1177.8-70.6-176.8176.8149.3-1.6112.3G41G41-R43 VanDerWaalsContact C-N 3.3Å; G41-R43 PolarHBondContact O-N 3.4Å; G41-R43 VanDerWaalsContact O-N 3.13Å
44G82.6Confident87.9Confident0 Ų049.1 Ų49.10%026%0.26CS..Hα-helixtrans-80.4-29.4176.100000112.9G41 I46 A47 E48G41-G44 PolarHBondContact O-N 3.32Å; G44-I46 VanDerWaalsContact C-N 3.26Å; G44-I46 PolarHBondContact O-N 2.98Å; G44-I46 VanDerWaalsContact O-N 3.08Å; G44-A47 CarbonylContact O-C 3.19Å; G44-A47 PolarHBondContact O-N 3.47Å; G44-E48 WeakPolarHBondContact O-CA 3.37Å; G44-E48 PolarHBondContact O-N 3.04Å
45S82Confident87.9Confident44 Ų4442.9 Ų42.931%0.30823%0.232SC..THydrogen-bonded Turntrans-66.2-14-168.8-48.70000116.9G41 E48 R87G41-S45 PolarHBondContact O-N 2.95Å; G41-S45 VanDerWaalsContact O-N 3.1Å; G41-S45 PolarHBondContact O-OG 3.44Å; S45-E48 VanDerWaalsContact O-OE2 3.09Å; S45-R87 PolarHBondContact O-NH1 3.06Å
46I85.7Confident88Confident5 Ų537.3 Ų37.33%0.02621%0.207CC..THydrogen-bonded Turntrans-87.1-36.6-178.8-58.6-165.5000112G44 R87 Q90 L94 K204 F207G44-I46 VanDerWaalsContact C-N 3.26Å; G44-I46 PolarHBondContact O-N 2.98Å; G44-I46 VanDerWaalsContact O-N 3.08Å; I46-R87 HydrophobicContact CG2-CG 3.94Å; I46-R87 PolarHBondContact O-NE 2.91Å; I46-R87 PolarHBondContact O-NH1 3.46Å; I46-R87 PolarHBondContact O-NH2 3.44Å; I46-Q90 HydrophobicContact CG2-CB 4.48Å; I46-L94 HydrophobicContact CB-CD1 4.25Å; I46-L94 HydrophobicContact CD1-CD1 3.65Å; I46-L94 HydrophobicContact CG1-CD1 4.08Å; I46-K204 WeakPolarHBondContact CD1-O 3.28Å; I46-F207 HydrophobicContact CG1-CD1 4.31Å
47A86.7Confident88Confident6 Ų638.3 Ų38.35%0.0521%0.209CC..SBendtrans-130.966.6170.200000107.5G44 D49 C50 Y51G44-A47 CarbonylContact O-C 3.19Å; G44-A47 PolarHBondContact O-N 3.47Å; A47-D49 PolarHBondContact O-N 2.88Å; A47-C50 HydrophobicContact CB-CB 3.9Å; A47-C50 PolarHBondContact O-N 2.82Å; A47-C50 VanDerWaalsContact O-N 3.12Å; A47-Y51 PolarHBondContact O-N 3.39Å
48E89.3Confident88.1Confident67 Ų6741.1 Ų41.131%0.31321%0.214SC..Hα-helixtrans-55.6-36.2-177.361-76.7172.400111.3G44 S45 F52 R87G44-E48 WeakPolarHBondContact O-CA 3.37Å; G44-E48 PolarHBondContact O-N 3.04Å; S45-E48 VanDerWaalsContact O-OE2 3.09Å; E48-F52 WeakPolarHBondContact O-CB 3.41Å; E48-F52 PolarHBondContact O-N 2.85Å; E48-R87 IonicContact OE1-NH2 3.36Å; E48-R87 PolarHBondContact OE1-NH2 3.37Å; E48-R87 IonicContact OE2-CZ 3.69Å; E48-R87 IonicContact OE2-NH2 2.64Å; E48-R87 PolarHBondContact OE2-NH2 3.5Å
49D90.6Very high88.3Confident36 Ų3642.4 Ų42.419%0.19322%0.22CC..Hα-helixtrans-66.6-46.8178.767.7-24.9000111.8W21 G23 A47 A53W21-D49 VanDerWaalsContact CD1-C 3.45Å; W21-D49 PolarHBondContact NE1-O 3.23Å; G23-D49 WeakPolarHBondContact CA-OD2 3.34Å; G23-D49 PolarHBondContact N-OD2 2.85Å; A47-D49 PolarHBondContact O-N 2.88Å; D49-A53 WeakPolarHBondContact O-CB 3.44Å; D49-A53 PolarHBondContact O-N 3.41Å
50C91Very high88.5Confident4 Ų438.8 Ų38.83%0.02721%0.214CC..Hα-helixtrans-69.4-39.1177.6-170.50000112.1W21 A47 A53 M54 V95W21-C50 HydrophobicContact CB-CB 4.25Å; A47-C50 HydrophobicContact CB-CB 3.9Å; A47-C50 PolarHBondContact O-N 2.82Å; A47-C50 VanDerWaalsContact O-N 3.12Å; C50-A53 PolarHBondContact O-N 3.45Å; C50-M54 WeakPolarHBondContact O-CG 3.34Å; C50-M54 PolarHBondContact O-N 2.82Å; C50-M54 VanDerWaalsContact O-N 3.13Å; C50-V95 HydrophobicContact CB-CG2 4.29Å
51Y91.7Very high88.9Confident1 Ų138.8 Ų38.80%0.00421%0.211CC..Hα-helixtrans-65.7-50.3177.3-158.7-85.4000111N40 A47 A53 M54 V55 V95 S98 E100 L101N40-Y51 HydrophobicContact CB-CD1 3.36Å; N40-Y51 HydrophobicContact CB-CE1 3.48Å; N40-Y51 VanDerWaalsContact CB-CE1 3.48Å; N40-Y51 HydrophobicContact CB-CG 4.35Å; A47-Y51 PolarHBondContact O-N 3.39Å; Y51-A53 VanDerWaalsContact C-N 3.29Å; Y51-A53 PolarHBondContact O-N 3.45Å; Y51-M54 PolarHBondContact O-N 3.4Å; Y51-M54 VanDerWaalsContact O-N 3.12Å; Y51-V55 HydrophobicContact CD1-CG2 3.71Å; Y51-V55 HydrophobicContact CE1-CG2 3.56Å; Y51-V55 WeakPolarHBondContact O-CG2 3.39Å; Y51-V55 PolarHBondContact O-N 3.25Å; Y51-V95 HydrophobicContact CD2-CG2 3.92Å; Y51-S98 PolarHBondContact OH-OG 3.28Å; Y51-E100 VanDerWaalsContact OH-CD 3.3Å; Y51-E100 PolarHBondContact OH-OE2 3.34Å; Y51-L101 HydrophobicContact CD2-CD1 4.45Å; Y51-L101 HydrophobicContact CE2-CD1 4.15Å
52F93Very high89.3Confident3 Ų345 Ų451%0.01323%0.226CC..Hα-helixtrans-50.4-50.7173.5167.5-98.7000111.2T28 A32 V36 S37 F38 E48 M54 V55 A56 F63T28-F52 HydrophobicContact CG2-CE1 4.04Å; T28-F52 HydrophobicContact CG2-CZ 3.96Å; A32-F52 HydrophobicContact CB-CZ 4.41Å; V36-F52 HydrophobicContact CB-CD2 3.91Å; V36-F52 HydrophobicContact CB-CE2 3.79Å; V36-F52 HydrophobicContact CG1-CD2 3.6Å; V36-F52 HydrophobicContact CG1-CE2 4.02Å; S37-F52 WeakPolarHBondContact O-CD2 3.39Å; F38-F52 HydrophobicContact CD1-CB 3.88Å; F38-F52 HydrophobicContact CD1-CD2 4.4Å; F38-F52 HydrophobicContact CD1-CG 4.06Å; F38-F52 HydrophobicContact CE1-CB 3.86Å; F38-F52 AromaticContact CE1-CD1 3.84Å; F38-F52 HydrophobicContact CE1-CD1 3.84Å; F38-F52 HydrophobicContact CE1-CD2 4.24Å; F38-F52 HydrophobicContact CE1-CE1 4.49Å; F38-F52 AromaticContact CE1-CG 3.7Å; F38-F52 HydrophobicContact CE1-CG 3.7Å; F38-F52 HydrophobicContact CZ-CD1 4.08Å; F38-F52 HydrophobicContact CZ-CD2 4.4Å; F38-F52 HydrophobicContact CZ-CE1 4.27Å; F38-F52 HydrophobicContact CZ-CG 4.14Å; E48-F52 WeakPolarHBondContact O-CB 3.41Å; E48-F52 PolarHBondContact O-N 2.85Å; F52-M54 VanDerWaalsContact C-N 3.29Å; F52-M54 PolarHBondContact O-N 2.92Å; F52-V55 PolarHBondContact O-N 3.46Å; F52-A56 HydrophobicContact CZ-CB 4.41Å; F52-A56 VanDerWaalsContact O-CB 3.3Å; F52-A56 WeakPolarHBondContact O-CB 3.45Å; F52-A56 PolarHBondContact O-N 2.8Å; F52-F63 HydrophobicContact CE1-CE1 4.27Å
53A92Very high89.8Confident0 Ų039.4 Ų39.40%019%0.19CC..Hα-helixtrans-58.9-40.1-178.800000113P17 W21 D49 C50 Y51 Y57 F63P17-A53 HydrophobicContact CB-CB 4.16Å; P17-A53 HydrophobicContact CG-CB 4.28Å; W21-A53 HydrophobicContact CB-CB 4.32Å; W21-A53 HydrophobicContact CD2-CB 3.37Å; W21-A53 HydrophobicContact CE3-CB 3.16Å; W21-A53 HydrophobicContact CG-CB 3.91Å; W21-A53 HydrophobicContact CH2-CB 3.99Å; W21-A53 HydrophobicContact CZ2-CB 4.21Å; W21-A53 HydrophobicContact CZ3-CB 3.48Å; W21-A53 VanDerWaalsContact CZ3-CB 3.48Å; D49-A53 WeakPolarHBondContact O-CB 3.44Å; D49-A53 PolarHBondContact O-N 3.41Å; C50-A53 PolarHBondContact O-N 3.45Å; Y51-A53 VanDerWaalsContact C-N 3.29Å; Y51-A53 PolarHBondContact O-N 3.45Å; A53-Y57 WeakPolarHBondContact O-CB 3.45Å; A53-Y57 PolarHBondContact O-N 3.43Å; A53-F63 HydrophobicContact CB-CZ 4.37Å
54M92.9Very high90.4Very high1 Ų138.6 Ų38.61%0.00519%0.192CC..Hα-helixtrans-72.1-38.9179.4-72.2-69.7157.500112.5P17 C50 Y51 F52 Y57 K58 V95 L101 L109P17-M54 HydrophobicContact CB-CE 4.29Å; P17-M54 HydrophobicContact CG-CE 4.21Å; P17-M54 WeakPolarHBondContact O-CE 3.34Å; C50-M54 WeakPolarHBondContact O-CG 3.34Å; C50-M54 PolarHBondContact O-N 2.82Å; C50-M54 VanDerWaalsContact O-N 3.13Å; Y51-M54 PolarHBondContact O-N 3.4Å; Y51-M54 VanDerWaalsContact O-N 3.12Å; F52-M54 VanDerWaalsContact C-N 3.29Å; F52-M54 PolarHBondContact O-N 2.92Å; M54-Y57 PolarHBondContact O-N 3.48Å; M54-K58 WeakPolarHBondContact O-CB 3.47Å; M54-K58 PolarHBondContact O-N 3.43Å; M54-V95 HydrophobicContact CB-CG1 4.41Å; M54-V95 HydrophobicContact CG-CG1 3.85Å; M54-L101 HydrophobicContact CB-CD1 3.67Å; M54-L101 HydrophobicContact CB-CD2 3.92Å; M54-L101 HydrophobicContact CB-CG 4.44Å; M54-L101 HydrophobicContact CG-CD1 4.39Å; M54-L109 HydrophobicContact CE-CB 3.92Å; M54-L109 HydrophobicContact CE-CD1 4.44Å; M54-L109 HydrophobicContact CE-CD2 3.91Å; M54-L109 HydrophobicContact CE-CG 4.29Å
55V92.6Very high90.6Very high22 Ų2239.5 Ų39.513%0.13320%0.195CC..Hα-helixtrans-68.6-43.5175.5179.40000110.7V36 Y51 F52 Y57 K58 K59 L101V36-V55 HydrophobicContact CB-CG1 4.41Å; V36-V55 HydrophobicContact CG1-CB 3.65Å; V36-V55 HydrophobicContact CG1-CG1 3.54Å; V36-V55 HydrophobicContact CG2-CG1 4.04Å; Y51-V55 HydrophobicContact CD1-CG2 3.71Å; Y51-V55 HydrophobicContact CE1-CG2 3.56Å; Y51-V55 WeakPolarHBondContact O-CG2 3.39Å; Y51-V55 PolarHBondContact O-N 3.25Å; F52-V55 PolarHBondContact O-N 3.46Å; V55-Y57 VanDerWaalsContact C-N 3.34Å; V55-Y57 PolarHBondContact O-N 3.12Å; V55-K58 WeakPolarHBondContact O-CB 3.47Å; V55-K58 PolarHBondContact O-N 3.34Å; V55-K59 PolarHBondContact O-N 3.33Å; V55-L101 HydrophobicContact CG2-CD2 3.79Å
56A92.9Very high90.7Very high0 Ų041.4 Ų41.40%020%0.201CC..Hα-helixtrans-63.3-40.5174.900000111.4V36 F52 K58 K59 G60 Y61 F63V36-A56 HydrophobicContact CG2-CB 4.08Å; F52-A56 HydrophobicContact CZ-CB 4.41Å; F52-A56 VanDerWaalsContact O-CB 3.3Å; F52-A56 WeakPolarHBondContact O-CB 3.45Å; F52-A56 PolarHBondContact O-N 2.8Å; A56-K58 PolarHBondContact O-N 3.38Å; A56-K59 CarbonylContact O-C 3.54Å; A56-K59 PolarHBondContact O-N 2.89Å; A56-K59 VanDerWaalsContact O-N 3.13Å; A56-G60 PolarHBondContact O-N 2.83Å; A56-Y61 HydrophobicContact CB-CD2 4.12Å; A56-Y61 HydrophobicContact CB-CG 4.49Å; A56-Y61 WeakPolarHBondContact O-CB 3.47Å; A56-Y61 WeakPolarHBondContact O-CD2 3.35Å; A56-Y61 PolarHBondContact O-N 3.23Å; A56-F63 HydrophobicContact CB-CE1 4.31Å; A56-F63 HydrophobicContact CB-CZ 3.67Å
57Y92.8Very high90.5Very high35 Ų3547.3 Ų47.314%0.13723%0.233CC..Hα-helixtrans-62.3-41.7173177.9-138.5000112.5R16 P17 A53 M54 V55 K59 G60 C105R16-Y57 HydrophobicContact CB-CD2 4.36Å; R16-Y57 HydrophobicContact CB-CE2 4.01Å; R16-Y57 VanDerWaalsContact CD-CE2 3.45Å; R16-Y57 HydrophobicContact CG-CD2 3.93Å; R16-Y57 HydrophobicContact CG-CE2 3.43Å; R16-Y57 VanDerWaalsContact CG-CE2 3.43Å; R16-Y57 PolarHBondContact NH1-OH 3.34Å; R16-Y57 VanDerWaalsContact NH1-OH 3.1Å; P17-Y57 HydrophobicContact CG-CD1 4.23Å; P17-Y57 HydrophobicContact CG-CG 4.09Å; A53-Y57 WeakPolarHBondContact O-CB 3.45Å; A53-Y57 PolarHBondContact O-N 3.43Å; M54-Y57 PolarHBondContact O-N 3.48Å; V55-Y57 VanDerWaalsContact C-N 3.34Å; V55-Y57 PolarHBondContact O-N 3.12Å; Y57-K59 PolarHBondContact O-N 3.46Å; Y57-G60 PolarHBondContact O-N 2.96Å; Y57-C105 HydrophobicContact CD1-CB 3.84Å; Y57-C105 HydrophobicContact CE1-CB 3.96Å
58K92.3Very high90.2Very high115 Ų11548.8 Ų48.850%0.525%0.249SC..Hα-helixtrans-57.7-37.2173.2177.3-171.2-179.7179.80111.7M54 V55 A56 G60 E100 P102M54-K58 WeakPolarHBondContact O-CB 3.47Å; M54-K58 PolarHBondContact O-N 3.43Å; V55-K58 WeakPolarHBondContact O-CB 3.47Å; V55-K58 PolarHBondContact O-N 3.34Å; A56-K58 PolarHBondContact O-N 3.38Å; K58-G60 PolarHBondContact O-N 3.15Å; K58-E100 PolarHBondContact NZ-O 2.98Å; K58-P102 HydrophobicContact CD-CG 4.32Å; K58-P102 HydrophobicContact CG-CG 4.12Å
59K92.2Very high89.4Confident113 Ų11352.2 Ų52.249%0.49127%0.265SS..THydrogen-bonded Turntrans-78.40.7175.5-66.9-171.6-175.1-172.90114H35 V36 V55 A56 Y57 Y61H35-K59 PolarHBondContact O-NZ 3.47Å; V36-K59 HydrophobicContact CG2-CD 3.8Å; V55-K59 PolarHBondContact O-N 3.33Å; A56-K59 CarbonylContact O-C 3.54Å; A56-K59 PolarHBondContact O-N 2.89Å; A56-K59 VanDerWaalsContact O-N 3.13Å; Y57-K59 PolarHBondContact O-N 3.46Å; K59-Y61 HydrophobicContact CB-CD2 3.78Å; K59-Y61 HydrophobicContact CB-CE2 3.82Å; K59-Y61 HydrophobicContact CD-CE2 4.25Å
60G91.6Very high88.5Confident56 Ų5656.1 Ų56.158%0.57728%0.284SS*.THydrogen-bonded Turntrans85.78.4178.100000114.8A56 Y57 K58A56-G60 PolarHBondContact O-N 2.83Å; Y57-G60 PolarHBondContact O-N 2.96Å; K58-G60 PolarHBondContact O-N 3.15Å
61Y93.5Very high87.6Confident37 Ų3763.9 Ų63.915%0.14532%0.324CS..  trans-68.1149.9173.9-69.2-74.5000111.7L29 A32 H35 A56 K59L29-Y61 HydrophobicContact CD1-CD1 4.46Å; A32-Y61 HydrophobicContact CB-CD1 3.53Å; A32-Y61 HydrophobicContact CB-CD2 3.84Å; A32-Y61 HydrophobicContact CB-CE1 3.79Å; A32-Y61 HydrophobicContact CB-CE2 4.1Å; A32-Y61 HydrophobicContact CB-CG 3.56Å; H35-Y61 PolarHBondContact ND1-OH 3.4Å; A56-Y61 HydrophobicContact CB-CD2 4.12Å; A56-Y61 HydrophobicContact CB-CG 4.49Å; A56-Y61 WeakPolarHBondContact O-CB 3.47Å; A56-Y61 WeakPolarHBondContact O-CD2 3.35Å; A56-Y61 PolarHBondContact O-N 3.23Å; K59-Y61 HydrophobicContact CB-CD2 3.78Å; K59-Y61 HydrophobicContact CB-CE2 3.82Å; K59-Y61 HydrophobicContact CD-CE2 4.25Å
62R92.2Very high86.7Confident155 Ų15568 Ų6859%0.58534%0.343SS*.  trans-114.8153.4179.6-63.5-170-176-163.66110.1Q15Q15-R62 HydrophobicContact CB-CB 4.14Å; Q15-R62 HydrophobicContact CB-CG 4.47Å; Q15-R62 WeakPolarHBondContact O-CA 3.19Å
63F92Very high85.9Confident3 Ų373.2 Ų73.21%0.01337%0.366CS..EExtended strand (participates in β ladder)trans-124.9150.3-176.6-55.7-77.7000111.2F11 Q15 P17 W21 V26 V27 F52 A53 A56F11-F63 HydrophobicContact CD1-CB 3.64Å; F11-F63 HydrophobicContact CE1-CB 3.68Å; F11-F63 HydrophobicContact CE1-CD2 4.33Å; F11-F63 HydrophobicContact CE1-CG 4.25Å; Q15-F63 WeakPolarHBondContact CA-O 3.49Å; Q15-F63 PolarHBondContact O-N 2.72Å; P17-F63 HydrophobicContact CG-CD2 4.3Å; P17-F63 HydrophobicContact CG-CE2 3.92Å; W21-F63 AromaticContact CH2-CD1 3.3Å; W21-F63 HydrophobicContact CH2-CD1 3.3Å; W21-F63 AromaticContact CH2-CE1 3.4Å; W21-F63 HydrophobicContact CH2-CE1 3.4Å; W21-F63 AromaticContact CH2-CG 3.89Å; W21-F63 HydrophobicContact CH2-CG 3.89Å; W21-F63 HydrophobicContact CH2-CZ 4.08Å; W21-F63 HydrophobicContact CZ3-CB 4.21Å; W21-F63 AromaticContact CZ3-CD1 3.5Å; W21-F63 HydrophobicContact CZ3-CD1 3.5Å; W21-F63 VanDerWaalsContact CZ3-CD1 3.5Å; W21-F63 AromaticContact CZ3-CD2 3.91Å; W21-F63 HydrophobicContact CZ3-CD2 3.91Å; W21-F63 AromaticContact CZ3-CE1 3.67Å; W21-F63 HydrophobicContact CZ3-CE1 3.67Å; W21-F63 HydrophobicContact CZ3-CE2 4.07Å; W21-F63 AromaticContact CZ3-CG 3.59Å; W21-F63 HydrophobicContact CZ3-CG 3.59Å; W21-F63 AromaticContact CZ3-CZ 3.93Å; W21-F63 HydrophobicContact CZ3-CZ 3.93Å; V26-F63 HydrophobicContact CG1-CB 4.09Å; V26-F63 HydrophobicContact CG1-CD1 4.45Å; V27-F63 WeakPolarHBondContact O-CA 3.47Å; F52-F63 HydrophobicContact CE1-CE1 4.27Å; A53-F63 HydrophobicContact CB-CZ 4.37Å; A56-F63 HydrophobicContact CB-CE1 4.31Å; A56-F63 HydrophobicContact CB-CZ 3.67Å
64Q89.2Confident85.3Confident108 Ų10877.3 Ų77.351%0.50539%0.394SS..EExtended strand (participates in β ladder)trans-134.6169.2174.8-167.1153.7-6.300110.3V26 V27V26-Q64 WeakPolarHBondContact CA-O 3.41Å; V27-Q64 HydrophobicContact CG2-CB 3.9Å; V27-Q64 VanDerWaalsContact CG2-O 3.3Å; V27-Q64 WeakPolarHBondContact CG2-O 3.37Å; V27-Q64 PolarHBondContact N-O 3.37Å; V27-Q64 PolarHBondContact O-N 2.98Å
65F86.3Confident84.7Confident18 Ų1878.6 Ų78.68%0.07940%0.403CS..EExtended strand (participates in β ladder)trans-115.3135.5-179.2-162.9-86000109.1C4 R8 F11 F25 V26 D67C4-F65 HydrophobicContact CB-CZ 4.14Å; R8-F65 HydrophobicContact CB-CD1 4.07Å; R8-F65 HydrophobicContact CB-CD2 4.3Å; R8-F65 HydrophobicContact CB-CE1 4.33Å; R8-F65 HydrophobicContact CB-CG 4.04Å; R8-F65 HydrophobicContact CG-CB 4.35Å; R8-F65 HydrophobicContact CG-CD1 3.99Å; R8-F65 HydrophobicContact CG-CG 4.18Å; F11-F65 HydrophobicContact CB-CB 4.49Å; F11-F65 HydrophobicContact CD2-CD2 4.36Å; F25-F65 HydrophobicContact CB-CD1 4.18Å; F25-F65 HydrophobicContact CB-CD2 4.05Å; F25-F65 HydrophobicContact CB-CE1 3.55Å; F25-F65 HydrophobicContact CB-CE2 3.41Å; F25-F65 VanDerWaalsContact CB-CE2 3.41Å; F25-F65 HydrophobicContact CB-CG 4.42Å; F25-F65 HydrophobicContact CB-CZ 3.13Å; F25-F65 HydrophobicContact CD1-CE1 4.05Å; F25-F65 HydrophobicContact CD1-CZ 4.19Å; F25-F65 HydrophobicContact CD2-CZ 4.25Å; F25-F65 HydrophobicContact CG-CE1 4Å; F25-F65 HydrophobicContact CG-CE2 4.37Å; F25-F65 AromaticContact CG-CZ 3.68Å; F25-F65 HydrophobicContact CG-CZ 3.68Å; F25-F65 CarbonylContact O-C 3.58Å; F25-F65 WeakPolarHBondContact O-CA 3.45Å; V26-F65 HydrophobicContact CG2-CD2 4.29Å; F65-D67 PolarHBondContact O-N 2.94Å
66I85.1Confident84.2Confident84 Ų8484.8 Ų84.843%0.43143%0.428SS..  trans-65132.9-179.8-60.4176.1000110.1R8 F25 V27 G68R8-I66 PolarHBondContact NH2-O 3.46Å; F25-I66 PolarHBondContact O-N 3.21Å; V27-I66 HydrophobicContact CG1-CD1 3.58Å; V27-I66 HydrophobicContact CG1-CG1 3.38Å; V27-I66 HydrophobicContact CG2-CG1 4.41Å; I66-G68 VanDerWaalsContact C-N 3.35Å; I66-G68 PolarHBondContact O-N 3.44Å; I66-G68 VanDerWaalsContact O-N 3.15Å
67D81.5Confident83.9Confident129 Ų12988.1 Ų88.169%0.6945%0.449SS*.SBendtrans-82.380.8168.4-75.8-42.7000110.6R8 F65R8-D67 IonicContact CZ-OD1 3.2Å; R8-D67 IonicContact NH1-OD1 3.29Å; R8-D67 PolarHBondContact NH1-OD1 2.88Å; R8-D67 IonicContact NH2-OD1 2.92Å; R8-D67 PolarHBondContact NH2-OD1 2.97Å; F65-D67 PolarHBondContact O-N 2.94Å
68G79.3Confident83.7Confident38 Ų3891.4 Ų91.439%0.39247%0.468SS..SBendtrans-165.3175.1179.400000113.6I66I66-G68 VanDerWaalsContact C-N 3.35Å; I66-G68 PolarHBondContact O-N 3.44Å; I66-G68 VanDerWaalsContact O-N 3.15Å
69E73.8Confident83.6Confident139 Ų13993.4 Ų93.465%0.6547%0.473SS*.  trans-109.9127.1172.7-52.8-154.4142.800109.1K161E69-K161 WeakPolarHBondContact OE1-CE 3.41Å; E69-K161 IonicContact OE1-NZ 2.76Å; E69-K161 PolarHBondContact OE1-NZ 2.95Å
70M71.7Confident83.4Confident118 Ų11889.1 Ų89.158%0.58146%0.455SS*.  trans-127.6136.3175-164-171.5179.700107.9F25F25-M70 HydrophobicContact CD1-CB 4.29Å; F25-M70 HydrophobicContact CE1-CB 3.4Å; F25-M70 HydrophobicContact CE2-CB 3.84Å; F25-M70 HydrophobicContact CZ-CB 3.17Å; F25-M70 HydrophobicContact CZ-CG 4.44Å
71L71.8Confident83.3Confident166 Ų16688.3 Ų88.387%0.86944%0.436SS*.  trans-90.8107.3177.9-62177000108.9
72E73.1Confident83.1Confident89 Ų8987.6 Ų87.642%0.41643%0.434SS..PPolyproline II helixtrans-91.7136.8174.2-70174.5-173.900110.2K22 S24 F25K22-E72 WeakPolarHBondContact CE-OE1 3.25Å; K22-E72 IonicContact NZ-OE1 2.89Å; K22-E72 PolarHBondContact NZ-OE1 2.8Å; K22-E72 IonicContact NZ-OE2 2.67Å; K22-E72 PolarHBondContact NZ-OE2 2.85Å; S24-E72 WeakPolarHBondContact CB-OE1 3.44Å; S24-E72 PolarHBondContact OG-OE1 3.44Å; F25-E72 WeakPolarHBondContact CD2-OE1 3.35Å; F25-E72 HydrophobicContact CE2-CG 4.4Å; F25-E72 VanDerWaalsContact CE2-OE1 3.24Å; F25-E72 WeakPolarHBondContact CE2-OE1 3.38Å
73K75.6Confident83Confident112 Ų11281.9 Ų81.949%0.48741%0.414SS..PPolyproline II helixtrans-77.6124.2168-63.1-175.7-178.2174.70110.1K212K73-K212 PolarHBondContact NZ-O 3.37Å
74S79.4Confident82.8Confident85 Ų8583.6 Ų83.659%0.59442%0.422SS*.PPolyproline II helixtrans-77.4160.3166.953.20000110.9
75P80Confident82.9Confident28 Ų2879.8 Ų79.818%0.18240%0.403CS..PPolyproline II helixtrans-56.1145167.124.3-34.1000111D80 F81P75-D80 HydrophobicContact CB-CB 3.73Å; P75-F81 HydrophobicContact CB-CB 4.28Å; P75-F81 HydrophobicContact CG-CB 3.75Å; P75-F81 HydrophobicContact CG-CD2 3.88Å; P75-F81 HydrophobicContact CG-CG 4.33Å
76F81.2Confident83.1Confident152 Ų15282 Ų8267%0.66741%0.413SS*.SBendtrans-92.6-21.7-178.7-61.9-76.7000112.9
77T88Confident83.3Confident70 Ų7079.6 Ų79.643%0.42940%0.398SS..SBendtrans-115.5151.6177.675.30000111.3W79 D80 F81T77-W79 PolarHBondContact O-N 3.29Å; T77-D80 PolarHBondContact O-N 2.92Å; T77-D80 WeakPolarHBondContact OG1-CB 3.45Å; T77-D80 PolarHBondContact OG1-N 2.99Å; T77-D80 PolarHBondContact OG1-OD2 3.07Å; T77-F81 PolarHBondContact O-N 3.42Å; T77-F81 VanDerWaalsContact O-N 3.12Å
78L88.4Confident83.8Confident104 Ų10477.8 Ų77.855%0.54538%0.382SS..Hα-helixtrans-61.4-34.7173.7-68.2175.5000111.5F81 L82 F187L78-F81 WeakPolarHBondContact O-CB 2.91Å; L78-F81 PolarHBondContact O-N 3.3Å; L78-L82 WeakPolarHBondContact O-CG 3.5Å; L78-L82 PolarHBondContact O-N 3.08Å; L78-F187 HydrophobicContact CD1-CZ 3.98Å; L78-F187 HydrophobicContact CD2-CE1 3.97Å; L78-F187 HydrophobicContact CD2-CZ 3.95Å
79W89.5Confident84.4Confident158 Ų15876.1 Ų76.160%0.59836%0.364SS*.Hα-helixtrans-66.2-43.9178.3-172.7-117.7000112.1T77 F81 L82 Q83T77-W79 PolarHBondContact O-N 3.29Å; W79-F81 VanDerWaalsContact C-N 3.28Å; W79-F81 PolarHBondContact O-N 2.93Å; W79-L82 HydrophobicContact CE3-CD1 4.21Å; W79-L82 PolarHBondContact O-N 3.14Å; W79-Q83 HydrophobicContact CD2-CG 4.48Å; W79-Q83 HydrophobicContact CZ2-CG 4.48Å; W79-Q83 WeakPolarHBondContact O-CB 3.44Å; W79-Q83 VanDerWaalsContact O-CG 3.32Å; W79-Q83 WeakPolarHBondContact O-CG 3.3Å; W79-Q83 PolarHBondContact O-N 3.01Å
80D87.8Confident85.3Confident22 Ų2269.7 Ų69.712%0.11833%0.334CS..Hα-helixtrans-61.2-39.2174.1-68.4-34.8000111.9P75 T77 Q83 Q84 Y208 V210P75-D80 HydrophobicContact CB-CB 3.73Å; T77-D80 PolarHBondContact O-N 2.92Å; T77-D80 WeakPolarHBondContact OG1-CB 3.45Å; T77-D80 PolarHBondContact OG1-N 2.99Å; T77-D80 PolarHBondContact OG1-OD2 3.07Å; D80-Q83 PolarHBondContact O-N 3.33Å; D80-Q84 WeakPolarHBondContact O-CB 3.48Å; D80-Q84 PolarHBondContact O-N 2.88Å; D80-Y208 WeakPolarHBondContact OD1-CE1 3.28Å; D80-V210 HydrophobicContact CB-CG1 3.92Å; D80-V210 HydrophobicContact CB-CG2 3.88Å
81F89.1Confident86.2Confident39 Ų3964 Ų6417%0.17131%0.306CS..Hα-helixtrans-60.7-50.1174.7177.3-95.9000111.6P75 T77 L78 W79 Q83 Q84 R85P75-F81 HydrophobicContact CB-CB 4.28Å; P75-F81 HydrophobicContact CG-CB 3.75Å; P75-F81 HydrophobicContact CG-CD2 3.88Å; P75-F81 HydrophobicContact CG-CG 4.33Å; T77-F81 PolarHBondContact O-N 3.42Å; T77-F81 VanDerWaalsContact O-N 3.12Å; L78-F81 WeakPolarHBondContact O-CB 2.91Å; L78-F81 PolarHBondContact O-N 3.3Å; W79-F81 VanDerWaalsContact C-N 3.28Å; W79-F81 PolarHBondContact O-N 2.93Å; F81-Q83 VanDerWaalsContact C-N 3.35Å; F81-Q83 PolarHBondContact O-N 3.16Å; F81-Q84 PolarHBondContact O-N 2.9Å; F81-R85 HydrophobicContact CD1-CG 4.35Å; F81-R85 HydrophobicContact CE1-CG 3.95Å; F81-R85 HydrophobicContact CE2-CG 4.3Å; F81-R85 HydrophobicContact CZ-CG 3.92Å; F81-R85 WeakPolarHBondContact O-CG 3.27Å; F81-R85 PolarHBondContact O-N 3.44Å
82L90.9Very high87.2Confident23 Ų2357.7 Ų57.712%0.1227%0.273CS..Hα-helixtrans-59.6-44.7177.6-69.6176.4000111.5L78 W79 Q84 R85 K86 T191 V194 A195 L198L78-L82 WeakPolarHBondContact O-CG 3.5Å; L78-L82 PolarHBondContact O-N 3.08Å; W79-L82 HydrophobicContact CE3-CD1 4.21Å; W79-L82 PolarHBondContact O-N 3.14Å; L82-Q84 VanDerWaalsContact C-N 3.35Å; L82-Q84 PolarHBondContact O-N 3.4Å; L82-R85 PolarHBondContact O-N 2.94Å; L82-K86 VanDerWaalsContact O-CB 3.26Å; L82-K86 WeakPolarHBondContact O-CB 3.44Å; L82-K86 PolarHBondContact O-N 3.17Å; L82-T191 WeakPolarHBondContact CD2-O 3.43Å; L82-V194 HydrophobicContact CD1-CG1 4.14Å; L82-V194 HydrophobicContact CD2-CB 4.31Å; L82-V194 HydrophobicContact CD2-CG1 4.15Å; L82-A195 HydrophobicContact CD2-CB 3.82Å; L82-L198 HydrophobicContact CD1-CD1 4.41Å
83Q89.5Confident88.1Confident35 Ų3557.1 Ų57.116%0.16427%0.267CS..Hα-helixtrans-62.2-40.3177.5-72.5-171.983.500112.5W79 D80 F81 K86 R87 Y208W79-Q83 HydrophobicContact CD2-CG 4.48Å; W79-Q83 HydrophobicContact CZ2-CG 4.48Å; W79-Q83 WeakPolarHBondContact O-CB 3.44Å; W79-Q83 VanDerWaalsContact O-CG 3.32Å; W79-Q83 WeakPolarHBondContact O-CG 3.3Å; W79-Q83 PolarHBondContact O-N 3.01Å; D80-Q83 PolarHBondContact O-N 3.33Å; F81-Q83 VanDerWaalsContact C-N 3.35Å; F81-Q83 PolarHBondContact O-N 3.16Å; Q83-K86 WeakPolarHBondContact O-CB 3.47Å; Q83-K86 PolarHBondContact O-N 3.47Å; Q83-R87 PolarHBondContact O-N 2.91Å; Q83-Y208 HydrophobicContact CB-CD1 4Å; Q83-Y208 VanDerWaalsContact CD-CD1 3.48Å; Q83-Y208 HydrophobicContact CG-CD1 4.4Å
84Q88.7Confident88.9Confident38 Ų3853 Ų5318%0.17825%0.25CS..Hα-helixtrans-64.8-42.9175.9-179.317168.400111.5D80 F81 L82 R87 W88 V210D80-Q84 WeakPolarHBondContact O-CB 3.48Å; D80-Q84 PolarHBondContact O-N 2.88Å; F81-Q84 PolarHBondContact O-N 2.9Å; L82-Q84 VanDerWaalsContact C-N 3.35Å; L82-Q84 PolarHBondContact O-N 3.4Å; Q84-R87 PolarHBondContact O-N 3.17Å; Q84-W88 VanDerWaalsContact CD-CZ2 3.42Å; Q84-W88 HydrophobicContact CG-CD2 4.21Å; Q84-W88 VanDerWaalsContact CG-CE2 3.49Å; Q84-W88 HydrophobicContact CG-CH2 4.13Å; Q84-W88 HydrophobicContact CG-CZ2 3.44Å; Q84-W88 VanDerWaalsContact CG-CZ2 3.44Å; Q84-W88 VanDerWaalsContact O-CG 3.24Å; Q84-W88 PolarHBondContact O-N 3.44Å; Q84-V210 HydrophobicContact CB-CG2 4.45Å
85R90.4Very high89.5Confident29 Ų2949 Ų4911%0.10922%0.222CC..Hα-helixtrans-67.2-40176.7-66.5-40-174.2100.94.8112.9F81 L82 W88 L89 E192 A195F81-R85 HydrophobicContact CD1-CG 4.35Å; F81-R85 HydrophobicContact CE1-CG 3.95Å; F81-R85 HydrophobicContact CE2-CG 4.3Å; F81-R85 HydrophobicContact CZ-CG 3.92Å; F81-R85 WeakPolarHBondContact O-CG 3.27Å; F81-R85 PolarHBondContact O-N 3.44Å; L82-R85 PolarHBondContact O-N 2.94Å; R85-W88 PolarHBondContact O-N 3.35Å; R85-L89 PolarHBondContact O-N 2.7Å; R85-E192 IonicContact CZ-OE1 3.4Å; R85-E192 IonicContact CZ-OE2 3.98Å; R85-E192 IonicContact NE-OE2 3.87Å; R85-E192 VanDerWaalsContact NH1-CD 3.27Å; R85-E192 IonicContact NH1-OE1 2.76Å; R85-E192 PolarHBondContact NH1-OE1 3.48Å; R85-E192 IonicContact NH1-OE2 3.84Å; R85-E192 PolarHBondContact NH1-OE2 2.83Å; R85-E192 IonicContact NH2-OE2 2.75Å; R85-A195 HydrophobicContact CB-CB 3.58Å; R85-A195 HydrophobicContact CG-CB 4.36Å
86K90.7Very high90.1Very high65 Ų6548.1 Ų48.128%0.28322%0.216SC..Hα-helixtrans-55.2-50.9171.6-176.3-167.8172.1-179.50110.9L82 Q83 W88 L89 Q90L82-K86 VanDerWaalsContact O-CB 3.26Å; L82-K86 WeakPolarHBondContact O-CB 3.44Å; L82-K86 PolarHBondContact O-N 3.17Å; Q83-K86 WeakPolarHBondContact O-CB 3.47Å; Q83-K86 PolarHBondContact O-N 3.47Å; K86-W88 PolarHBondContact O-N 3.23Å; K86-L89 PolarHBondContact O-N 3.48Å; K86-Q90 WeakPolarHBondContact O-CB 3.38Å; K86-Q90 VanDerWaalsContact O-CG 3.27Å; K86-Q90 WeakPolarHBondContact O-CG 3.43Å; K86-Q90 PolarHBondContact O-N 3.12Å
87R90.1Very high90.6Very high33 Ų3344.9 Ų44.913%0.12520%0.203CC..Hα-helixtrans-56.5-47.6176.3174.8-179.2159.690.2-5.1111.3S45 I46 E48 Q83 Q84 L89 Q90 G91 F207S45-R87 PolarHBondContact O-NH1 3.06Å; I46-R87 HydrophobicContact CG2-CG 3.94Å; I46-R87 PolarHBondContact O-NE 2.91Å; I46-R87 PolarHBondContact O-NH1 3.46Å; I46-R87 PolarHBondContact O-NH2 3.44Å; E48-R87 IonicContact OE1-NH2 3.36Å; E48-R87 PolarHBondContact OE1-NH2 3.37Å; E48-R87 IonicContact OE2-CZ 3.69Å; E48-R87 IonicContact OE2-NH2 2.64Å; E48-R87 PolarHBondContact OE2-NH2 3.5Å; Q83-R87 PolarHBondContact O-N 2.91Å; Q84-R87 PolarHBondContact O-N 3.17Å; R87-L89 PolarHBondContact O-N 3.33Å; R87-Q90 PolarHBondContact O-N 2.97Å; R87-G91 PolarHBondContact O-N 2.97Å; R87-F207 HydrophobicContact CG-CB 4.18Å
88W90.8Very high90.8Very high91 Ų9141.5 Ų41.535%0.34518%0.183SC..Hα-helixtrans-61.8-45.4180-64.2-11.9000112.6Q84 R85 K86 G91 I92 W116Q84-W88 VanDerWaalsContact CD-CZ2 3.42Å; Q84-W88 HydrophobicContact CG-CD2 4.21Å; Q84-W88 VanDerWaalsContact CG-CE2 3.49Å; Q84-W88 HydrophobicContact CG-CH2 4.13Å; Q84-W88 HydrophobicContact CG-CZ2 3.44Å; Q84-W88 VanDerWaalsContact CG-CZ2 3.44Å; Q84-W88 VanDerWaalsContact O-CG 3.24Å; Q84-W88 PolarHBondContact O-N 3.44Å; R85-W88 PolarHBondContact O-N 3.35Å; K86-W88 PolarHBondContact O-N 3.23Å; W88-G91 PolarHBondContact O-N 2.89Å; W88-I92 WeakPolarHBondContact O-CB 3.08Å; W88-I92 VanDerWaalsContact O-CG1 3.26Å; W88-I92 WeakPolarHBondContact O-CG1 3.23Å; W88-I92 PolarHBondContact O-N 2.93Å; W88-W116 HydrophobicContact CB-CH2 4.01Å; W88-W116 HydrophobicContact CB-CZ3 4.23Å
89L91.9Very high90.8Very high2 Ų241.3 Ų41.31%0.0119%0.188CC..Hα-helixtrans-61.6-47.6178.1-170.479.4000111.2R85 K86 R87 I92 Y93 F113 W116 V196 L200R85-L89 PolarHBondContact O-N 2.7Å; K86-L89 PolarHBondContact O-N 3.48Å; R87-L89 PolarHBondContact O-N 3.33Å; L89-I92 PolarHBondContact O-N 3.11Å; L89-Y93 WeakPolarHBondContact O-CB 3.42Å; L89-Y93 PolarHBondContact O-N 3.33Å; L89-F113 HydrophobicContact CD1-CD2 4.19Å; L89-F113 HydrophobicContact CD1-CE2 3.7Å; L89-F113 HydrophobicContact CG-CE2 3.98Å; L89-F113 WeakPolarHBondContact O-CE2 3.09Å; L89-W116 HydrophobicContact CB-CH2 4.05Å; L89-W116 HydrophobicContact CB-CZ3 4Å; L89-W116 HydrophobicContact CD1-CD2 3.8Å; L89-W116 HydrophobicContact CD1-CE3 3.55Å; L89-W116 HydrophobicContact CD1-CG 4.38Å; L89-W116 HydrophobicContact CD1-CH2 4.3Å; L89-W116 HydrophobicContact CD1-CZ3 3.82Å; L89-V196 HydrophobicContact CD2-CG1 4.34Å; L89-L200 HydrophobicContact CD2-CD2 4.22Å; L89-L200 HydrophobicContact CD2-CG 4.11Å
90Q92.1Very high90.8Very high4 Ų438.8 Ų38.82%0.01918%0.182CC..Hα-helixtrans-65.5-40.7-179.8-69.4178.3-33.100112.2I46 K86 R87 Y93 L94 G199 G202 R203 K204I46-Q90 HydrophobicContact CG2-CB 4.48Å; K86-Q90 WeakPolarHBondContact O-CB 3.38Å; K86-Q90 VanDerWaalsContact O-CG 3.27Å; K86-Q90 WeakPolarHBondContact O-CG 3.43Å; K86-Q90 PolarHBondContact O-N 3.12Å; R87-Q90 PolarHBondContact O-N 2.97Å; Q90-Y93 WeakPolarHBondContact O-CB 3.03Å; Q90-Y93 PolarHBondContact O-N 3.38Å; Q90-L94 WeakPolarHBondContact O-CG 3.43Å; Q90-L94 PolarHBondContact O-N 2.9Å; Q90-G199 WeakPolarHBondContact CG-O 3.32Å; Q90-G199 PolarHBondContact NE2-O 3.36Å; Q90-G202 PolarHBondContact NE2-O 2.98Å; Q90-R203 PolarHBondContact NE2-O 3.25Å; Q90-K204 HydrophobicContact CG-CG 4.37Å
91G91.6Very high90.9Very high0 Ų038 Ų380%018%0.178CC..Hα-helixtrans-65.1-46.217700000112.3R87 W88 Y93 L94 V95R87-G91 PolarHBondContact O-N 2.97Å; W88-G91 PolarHBondContact O-N 2.89Å; G91-Y93 VanDerWaalsContact C-N 3.29Å; G91-Y93 PolarHBondContact O-N 3.08Å; G91-L94 PolarHBondContact O-N 2.93Å; G91-L94 VanDerWaalsContact O-N 3.16Å; G91-V95 VanDerWaalsContact O-CG2 3.3Å; G91-V95 WeakPolarHBondContact O-CG2 3.37Å; G91-V95 PolarHBondContact O-N 3.45Å
92I92Very high91Very high32 Ų3238.5 Ų38.516%0.16419%0.185CC..Hα-helixtrans-62.2-39.9175.4-65.4168.8000110.7W88 L89 L94 V95 V96 L109 F113 W116W88-I92 WeakPolarHBondContact O-CB 3.08Å; W88-I92 VanDerWaalsContact O-CG1 3.26Å; W88-I92 WeakPolarHBondContact O-CG1 3.23Å; W88-I92 PolarHBondContact O-N 2.93Å; L89-I92 PolarHBondContact O-N 3.11Å; I92-L94 VanDerWaalsContact C-N 3.32Å; I92-L94 PolarHBondContact O-N 2.82Å; I92-V95 PolarHBondContact O-N 3.49Å; I92-V96 HydrophobicContact CG2-CG2 4.05Å; I92-V96 WeakPolarHBondContact O-CB 3.33Å; I92-V96 VanDerWaalsContact O-CG2 3.29Å; I92-V96 WeakPolarHBondContact O-CG2 3.04Å; I92-V96 PolarHBondContact O-N 2.68Å; I92-L109 HydrophobicContact CG2-CD1 4.07Å; I92-L109 HydrophobicContact CG2-CD2 4.27Å; I92-L109 HydrophobicContact CG2-CG 4.07Å; I92-F113 HydrophobicContact CB-CD2 4.11Å; I92-F113 HydrophobicContact CG2-CB 3.71Å; I92-F113 HydrophobicContact CG2-CD2 3.65Å; I92-F113 HydrophobicContact CG2-CG 3.95Å; I92-W116 HydrophobicContact CD1-CZ3 4.19Å
93Y92.9Very high91.1Very high78 Ų7845.1 Ų45.131%0.30621%0.209SC..Hα-helixtrans-56-46.1174.4173.1-89.9000111.8L89 Q90 G91 V96 H97 F113 K204L89-Y93 WeakPolarHBondContact O-CB 3.42Å; L89-Y93 PolarHBondContact O-N 3.33Å; Q90-Y93 WeakPolarHBondContact O-CB 3.03Å; Q90-Y93 PolarHBondContact O-N 3.38Å; G91-Y93 VanDerWaalsContact C-N 3.29Å; G91-Y93 PolarHBondContact O-N 3.08Å; Y93-V96 PolarHBondContact O-N 3Å; Y93-H97 AromaticContact CD2-CE1 3.55Å; Y93-H97 AromaticContact CD2-ND1 3.5Å; Y93-H97 AromaticContact CE2-CE1 3.41Å; Y93-H97 VanDerWaalsContact CE2-CE1 3.41Å; Y93-H97 WeakPolarHBondContact CE2-CE1 3.44Å; Y93-H97 AromaticContact CE2-ND1 3.49Å; Y93-H97 WeakPolarHBondContact CE2-ND1 3.21Å; Y93-H97 AromaticContact CG-ND1 3.92Å; Y93-H97 AromaticContact CZ-ND1 3.86Å; Y93-H97 WeakPolarHBondContact O-CB 3.4Å; Y93-H97 PolarHBondContact O-N 2.76Å; Y93-H97 PolarHBondContact O-ND1 3.01Å; Y93-F113 AromaticContact CD2-CE1 3.98Å; Y93-F113 HydrophobicContact CD2-CE1 3.98Å; Y93-F113 AromaticContact CD2-CZ 3.69Å; Y93-F113 HydrophobicContact CD2-CZ 3.69Å; Y93-F113 HydrophobicContact CG-CZ 4.22Å; Y93-K204 HydrophobicContact CD1-CD 3.68Å; Y93-K204 HydrophobicContact CE1-CD 3.6Å
94L91.5Very high91.1Very high25 Ų2552.1 Ų52.113%0.13123%0.234CC..Hα-helixtrans-65.2-40.2178.3-69.6173.8000112.3I46 Q90 G91 I92 H97 S98I46-L94 HydrophobicContact CB-CD1 4.25Å; I46-L94 HydrophobicContact CD1-CD1 3.65Å; I46-L94 HydrophobicContact CG1-CD1 4.08Å; Q90-L94 WeakPolarHBondContact O-CG 3.43Å; Q90-L94 PolarHBondContact O-N 2.9Å; G91-L94 PolarHBondContact O-N 2.93Å; G91-L94 VanDerWaalsContact O-N 3.16Å; I92-L94 VanDerWaalsContact C-N 3.32Å; I92-L94 PolarHBondContact O-N 2.82Å; L94-H97 CarbonylContact O-C 3.59Å; L94-H97 PolarHBondContact O-N 2.95Å; L94-S98 WeakPolarHBondContact O-CB 3.34Å; L94-S98 PolarHBondContact O-N 2.92Å
95V92.2Very high91.1Very high1 Ų151.1 Ų51.11%0.00623%0.231CC..Hα-helixtrans-63.9-47.5177176.70000110.8C50 Y51 M54 G91 I92 H97 S98 L101 L109C50-V95 HydrophobicContact CB-CG2 4.29Å; Y51-V95 HydrophobicContact CD2-CG2 3.92Å; M54-V95 HydrophobicContact CB-CG1 4.41Å; M54-V95 HydrophobicContact CG-CG1 3.85Å; G91-V95 VanDerWaalsContact O-CG2 3.3Å; G91-V95 WeakPolarHBondContact O-CG2 3.37Å; G91-V95 PolarHBondContact O-N 3.45Å; I92-V95 PolarHBondContact O-N 3.49Å; V95-H97 VanDerWaalsContact C-N 3.31Å; V95-H97 PolarHBondContact O-N 3.44Å; V95-S98 WeakPolarHBondContact O-CB 3.34Å; V95-S98 PolarHBondContact O-N 2.79Å; V95-L101 HydrophobicContact CG1-CD1 3.86Å; V95-L109 HydrophobicContact CB-CD2 4.19Å; V95-L109 HydrophobicContact CG1-CD2 3.6Å
96V92.8Very high91.2Very high9 Ų951.5 Ų51.56%0.05523%0.233CC..Hα-helixtrans-62.7-38.3-180169.10000111.5I92 Y93 K106 L109 A110 F113I92-V96 HydrophobicContact CG2-CG2 4.05Å; I92-V96 WeakPolarHBondContact O-CB 3.33Å; I92-V96 VanDerWaalsContact O-CG2 3.29Å; I92-V96 WeakPolarHBondContact O-CG2 3.04Å; I92-V96 PolarHBondContact O-N 2.68Å; Y93-V96 PolarHBondContact O-N 3Å; V96-K106 VanDerWaalsContact O-CD 3.26Å; V96-K106 WeakPolarHBondContact O-CD 3.36Å; V96-K106 VanDerWaalsContact O-CE 3.32Å; V96-K106 WeakPolarHBondContact O-CE 3.47Å; V96-K106 PolarHBondContact O-NZ 2.94Å; V96-L109 HydrophobicContact CG2-CB 4.48Å; V96-L109 HydrophobicContact CG2-CD2 3.8Å; V96-L109 HydrophobicContact CG2-CG 3.89Å; V96-A110 HydrophobicContact CG1-CB 3.64Å; V96-A110 HydrophobicContact CG2-CB 4.25Å; V96-F113 HydrophobicContact CG2-CB 4.29Å
97H92.6Very high91.4Very high84 Ų8451.9 Ų51.939%0.38924%0.237SC..THydrogen-bonded Turntrans-92.65.3179.8-6289.7000113.7Y93 L94 V95 Y114Y93-H97 AromaticContact CD2-CE1 3.55Å; Y93-H97 AromaticContact CD2-ND1 3.5Å; Y93-H97 AromaticContact CE2-CE1 3.41Å; Y93-H97 VanDerWaalsContact CE2-CE1 3.41Å; Y93-H97 WeakPolarHBondContact CE2-CE1 3.44Å; Y93-H97 AromaticContact CE2-ND1 3.49Å; Y93-H97 WeakPolarHBondContact CE2-ND1 3.21Å; Y93-H97 AromaticContact CG-ND1 3.92Å; Y93-H97 AromaticContact CZ-ND1 3.86Å; Y93-H97 WeakPolarHBondContact O-CB 3.4Å; Y93-H97 PolarHBondContact O-N 2.76Å; Y93-H97 PolarHBondContact O-ND1 3.01Å; L94-H97 CarbonylContact O-C 3.59Å; L94-H97 PolarHBondContact O-N 2.95Å; V95-H97 VanDerWaalsContact C-N 3.31Å; V95-H97 PolarHBondContact O-N 3.44Å; H97-Y114 PolarHBondContact CE1-OH 3.14Å; H97-Y114 PolarHBondContact NE2-OH 3.43Å; H97-Y114 VanDerWaalsContact NE2-OH 3.17Å
98S90.9Very high91.5Very high0 Ų054.1 Ų54.10%025%0.248CC..  trans-68.8129175.6-178.40000110.7Y51 L94 V95 E100 K106Y51-S98 PolarHBondContact OH-OG 3.28Å; L94-S98 WeakPolarHBondContact O-CB 3.34Å; L94-S98 PolarHBondContact O-N 2.92Å; V95-S98 WeakPolarHBondContact O-CB 3.34Å; V95-S98 PolarHBondContact O-N 2.79Å; S98-E100 VanDerWaalsContact C-N 3.32Å; S98-E100 PolarHBondContact OG-N 3.24Å; S98-K106 PolarHBondContact O-NZ 2.94Å
99P89.5Confident91.6Very high100 Ų10049.8 Ų49.865%0.64923%0.232SC*.SBendtrans-75.7-19.4175.830.5-34.4000113L101P99-L101 PolarHBondContact O-N 3.44Å
100E88.4Confident91.7Very high104 Ų10450.6 Ų50.649%0.48624%0.239SC..SBendtrans-72-21.3-177.6-65.4165-144.200112.8Y51 K58 S98Y51-E100 VanDerWaalsContact OH-CD 3.3Å; Y51-E100 PolarHBondContact OH-OE2 3.34Å; K58-E100 PolarHBondContact NZ-O 2.98Å; S98-E100 VanDerWaalsContact C-N 3.32Å; S98-E100 PolarHBondContact OG-N 3.24Å
101L90.1Very high91.8Very high6 Ų655 Ų553%0.03126%0.26CS..SBendtrans-100.1127.3-178.2-67.2172.6000110.7Y51 M54 V55 V95 P99 K106Y51-L101 HydrophobicContact CD2-CD1 4.45Å; Y51-L101 HydrophobicContact CE2-CD1 4.15Å; M54-L101 HydrophobicContact CB-CD1 3.67Å; M54-L101 HydrophobicContact CB-CD2 3.92Å; M54-L101 HydrophobicContact CB-CG 4.44Å; M54-L101 HydrophobicContact CG-CD1 4.39Å; V55-L101 HydrophobicContact CG2-CD2 3.79Å; V95-L101 HydrophobicContact CG1-CD1 3.86Å; P99-L101 PolarHBondContact O-N 3.44Å; L101-K106 HydrophobicContact CB-CD 4.47Å
102P91.7Very high91.8Very high50 Ų5056.8 Ų56.833%0.32527%0.273SS..  trans-65.3142.3179.828.3-34.9000110.8K58 R104 C105K58-P102 HydrophobicContact CD-CG 4.32Å; K58-P102 HydrophobicContact CG-CG 4.12Å; P102-R104 PolarHBondContact O-N 3.02Å; P102-R104 VanDerWaalsContact O-N 3.13Å; P102-C105 HydrophobicContact CG-CB 4.13Å; P102-C105 PolarHBondContact O-N 3.46Å
103W91.8Very high91.9Very high161 Ų16155.5 Ų55.561%0.6127%0.266SS*.Hα-helixtrans-55.7-34.6-17771-97000113.3C105 K106 I107W103-C105 VanDerWaalsContact C-N 3.25Å; W103-C105 PolarHBondContact O-N 2.99Å; W103-K106 WeakPolarHBondContact O-CG 3.43Å; W103-K106 PolarHBondContact O-N 2.76Å; W103-K106 VanDerWaalsContact O-N 3.13Å; W103-I107 HydrophobicContact CE3-CD1 4.34Å; W103-I107 HydrophobicContact CZ3-CD1 4.05Å; W103-I107 PolarHBondContact O-N 3.46Å
104R90Very high92Very high183 Ų18357.1 Ų57.169%0.69127%0.273SS*.Hα-helixtrans-60.9-32.3178.6-63.6-177.5-177172.4-0.1113.1P102P102-R104 PolarHBondContact O-N 3.02Å; P102-R104 VanDerWaalsContact O-N 3.13Å
105C89.6Confident91.9Very high17 Ų1759 Ų5912%0.11529%0.292CS..Hα-helixtrans-78.7-28.5178.8-69.40000112.2Y57 P102 W103Y57-C105 HydrophobicContact CD1-CB 3.84Å; Y57-C105 HydrophobicContact CE1-CB 3.96Å; P102-C105 HydrophobicContact CG-CB 4.13Å; P102-C105 PolarHBondContact O-N 3.46Å; W103-C105 VanDerWaalsContact C-N 3.25Å; W103-C105 PolarHBondContact O-N 2.99Å
106K92.1Very high91.9Very high36 Ų3661 Ų6116%0.15730%0.299CS..Hα-helixtrans-105-6.8-172.163.8-173.7-173170.30115.2V96 S98 L101 W103 F108 L109 A110V96-K106 VanDerWaalsContact O-CD 3.26Å; V96-K106 WeakPolarHBondContact O-CD 3.36Å; V96-K106 VanDerWaalsContact O-CE 3.32Å; V96-K106 WeakPolarHBondContact O-CE 3.47Å; V96-K106 PolarHBondContact O-NZ 2.94Å; S98-K106 PolarHBondContact O-NZ 2.94Å; L101-K106 HydrophobicContact CB-CD 4.47Å; W103-K106 WeakPolarHBondContact O-CG 3.43Å; W103-K106 PolarHBondContact O-N 2.76Å; W103-K106 VanDerWaalsContact O-N 3.13Å; K106-F108 PolarHBondContact O-N 2.71Å; K106-L109 PolarHBondContact O-N 3.36Å; K106-A110 WeakPolarHBondContact O-CB 3.28Å; K106-A110 PolarHBondContact O-N 3.47Å
107I93.8Very high91.9Very high73 Ų7361.3 Ų61.337%0.37430%0.303SS..Hα-helixtrans-58-44.6-176.9-169.1167.1000112.9W103 A110 M111W103-I107 HydrophobicContact CE3-CD1 4.34Å; W103-I107 HydrophobicContact CZ3-CD1 4.05Å; W103-I107 PolarHBondContact O-N 3.46Å; I107-A110 WeakPolarHBondContact O-CB 3.46Å; I107-A110 PolarHBondContact O-N 3.32Å; I107-M111 WeakPolarHBondContact O-CG 3.12Å; I107-M111 PolarHBondContact O-N 3.38Å
108F93.4Very high91.8Very high80 Ų8059.9 Ų59.935%0.35130%0.301SS..Hα-helixtrans-68.8-38177.4-68.2-73.3000112.3L18 F19 K106 A110 M111 S112L18-F108 HydrophobicContact CB-CB 4.08Å; L18-F108 HydrophobicContact CB-CG 4.36Å; L18-F108 HydrophobicContact CD2-CD2 3.99Å; L18-F108 CarbonylContact O-C 3.23Å; L18-F108 VanDerWaalsContact O-C 3.23Å; L18-F108 WeakPolarHBondContact O-CB 3.32Å; F19-F108 HydrophobicContact CD1-CB 4.43Å; F19-F108 HydrophobicContact CE1-CB 4.4Å; F19-F108 AromaticContact CE1-CD1 3.89Å; F19-F108 HydrophobicContact CE1-CD1 3.89Å; F19-F108 AromaticContact CZ-CD1 3.93Å; F19-F108 HydrophobicContact CZ-CD1 3.93Å; K106-F108 PolarHBondContact O-N 2.71Å; F108-A110 VanDerWaalsContact C-N 3.33Å; F108-M111 HydrophobicContact CB-CE 4.35Å; F108-M111 HydrophobicContact CD1-CE 3.23Å; F108-M111 HydrophobicContact CE1-CE 3.66Å; F108-M111 HydrophobicContact CG-CE 3.98Å; F108-M111 PolarHBondContact O-N 3.27Å; F108-S112 PolarHBondContact O-N 3.14Å; F108-S112 PolarHBondContact O-OG 3.39Å
109L92.9Very high91.7Very high1 Ų162 Ų621%0.00531%0.311CS..Hα-helixtrans-63.6-41.6173.7-17871.6000110.8L18 M54 I92 V95 V96 K106 S112 F113L18-L109 PolarHBondContact O-N 3.04Å; M54-L109 HydrophobicContact CE-CB 3.92Å; M54-L109 HydrophobicContact CE-CD1 4.44Å; M54-L109 HydrophobicContact CE-CD2 3.91Å; M54-L109 HydrophobicContact CE-CG 4.29Å; I92-L109 HydrophobicContact CG2-CD1 4.07Å; I92-L109 HydrophobicContact CG2-CD2 4.27Å; I92-L109 HydrophobicContact CG2-CG 4.07Å; V95-L109 HydrophobicContact CB-CD2 4.19Å; V95-L109 HydrophobicContact CG1-CD2 3.6Å; V96-L109 HydrophobicContact CG2-CB 4.48Å; V96-L109 HydrophobicContact CG2-CD2 3.8Å; V96-L109 HydrophobicContact CG2-CG 3.89Å; K106-L109 PolarHBondContact O-N 3.36Å; L109-S112 WeakPolarHBondContact O-CB 3.38Å; L109-S112 PolarHBondContact O-N 3.36Å; L109-F113 WeakPolarHBondContact O-CB 3.37Å; L109-F113 PolarHBondContact O-N 2.68Å
110A94.4Very high91.7Very high18 Ų1858.2 Ų58.215%0.14929%0.287CS..Hα-helixtrans-62.5-44.1177.500000111V96 K106 I107 F108 F113 Y114V96-A110 HydrophobicContact CG1-CB 3.64Å; V96-A110 HydrophobicContact CG2-CB 4.25Å; K106-A110 WeakPolarHBondContact O-CB 3.28Å; K106-A110 PolarHBondContact O-N 3.47Å; I107-A110 WeakPolarHBondContact O-CB 3.46Å; I107-A110 PolarHBondContact O-N 3.32Å; F108-A110 VanDerWaalsContact C-N 3.33Å; A110-F113 WeakPolarHBondContact O-CB 3.37Å; A110-F113 PolarHBondContact O-N 2.92Å; A110-Y114 WeakPolarHBondContact O-CD2 3.39Å; A110-Y114 PolarHBondContact O-N 2.85Å
111M93.8Very high91.6Very high96 Ų9658.4 Ų58.447%0.47329%0.291SS..Hα-helixtrans-60.1-46.7174.4-71.5-172.6-68.300111.9I107 F108 F113 Y114 A115I107-M111 WeakPolarHBondContact O-CG 3.12Å; I107-M111 PolarHBondContact O-N 3.38Å; F108-M111 HydrophobicContact CB-CE 4.35Å; F108-M111 HydrophobicContact CD1-CE 3.23Å; F108-M111 HydrophobicContact CE1-CE 3.66Å; F108-M111 HydrophobicContact CG-CE 3.98Å; F108-M111 PolarHBondContact O-N 3.27Å; M111-F113 VanDerWaalsContact C-N 3.3Å; M111-F113 PolarHBondContact O-N 3.41Å; M111-Y114 PolarHBondContact O-N 3.43Å; M111-A115 VanDerWaalsContact O-CB 3.28Å; M111-A115 WeakPolarHBondContact O-CB 3.4Å; M111-A115 PolarHBondContact O-N 2.88Å
112S91.7Very high91.4Very high38 Ų3861.7 Ų61.727%0.26631%0.311SS..Hα-helixtrans-59.1-41.8174.2-72.90000112.5F19 F108 L109 W116F19-S112 WeakPolarHBondContact CA-OG 3.43Å; F19-S112 WeakPolarHBondContact CB-OG 3.33Å; F19-S112 WeakPolarHBondContact CD1-OG 3.48Å; F19-S112 WeakPolarHBondContact O-CB 3.49Å; F19-S112 PolarHBondContact O-OG 3.39Å; F108-S112 PolarHBondContact O-N 3.14Å; F108-S112 PolarHBondContact O-OG 3.39Å; L109-S112 WeakPolarHBondContact O-CB 3.38Å; L109-S112 PolarHBondContact O-N 3.36Å; S112-W116 PolarHBondContact O-N 3.38Å; S112-W116 VanDerWaalsContact O-N 3.09Å
113F94.1Very high91.1Very high5 Ų561 Ų612%0.02231%0.306CS..Hα-helixtrans-63.8-50.3179.2171.2-103.8000111.5L89 I92 Y93 V96 L109 A110 M111 W116 A117L89-F113 HydrophobicContact CD1-CD2 4.19Å; L89-F113 HydrophobicContact CD1-CE2 3.7Å; L89-F113 HydrophobicContact CG-CE2 3.98Å; L89-F113 WeakPolarHBondContact O-CE2 3.09Å; I92-F113 HydrophobicContact CB-CD2 4.11Å; I92-F113 HydrophobicContact CG2-CB 3.71Å; I92-F113 HydrophobicContact CG2-CD2 3.65Å; I92-F113 HydrophobicContact CG2-CG 3.95Å; Y93-F113 AromaticContact CD2-CE1 3.98Å; Y93-F113 HydrophobicContact CD2-CE1 3.98Å; Y93-F113 AromaticContact CD2-CZ 3.69Å; Y93-F113 HydrophobicContact CD2-CZ 3.69Å; Y93-F113 HydrophobicContact CG-CZ 4.22Å; V96-F113 HydrophobicContact CG2-CB 4.29Å; L109-F113 WeakPolarHBondContact O-CB 3.37Å; L109-F113 PolarHBondContact O-N 2.68Å; A110-F113 WeakPolarHBondContact O-CB 3.37Å; A110-F113 PolarHBondContact O-N 2.92Å; M111-F113 VanDerWaalsContact C-N 3.3Å; M111-F113 PolarHBondContact O-N 3.41Å; F113-W116 CarbonylContact O-C 3.56Å; F113-W116 WeakPolarHBondContact O-CA 3.25Å; F113-W116 WeakPolarHBondContact O-CB 3.4Å; F113-W116 PolarHBondContact O-N 3.27Å; F113-W116 VanDerWaalsContact O-N 3.08Å; F113-A117 HydrophobicContact CE1-CB 4.39Å; F113-A117 HydrophobicContact CZ-CB 4.26Å; F113-A117 WeakPolarHBondContact O-CB 3.49Å; F113-A117 PolarHBondContact O-N 2.89Å
114Y93.9Very high90.7Very high112 Ų11258.7 Ų58.744%0.43930%0.304SS..Hα-helixtrans-68.6-34.8-179.5-76.9-65.5000112.3H97 A110 M111 W116 A117 T118H97-Y114 PolarHBondContact CE1-OH 3.14Å; H97-Y114 PolarHBondContact NE2-OH 3.43Å; H97-Y114 VanDerWaalsContact NE2-OH 3.17Å; A110-Y114 WeakPolarHBondContact O-CD2 3.39Å; A110-Y114 PolarHBondContact O-N 2.85Å; M111-Y114 PolarHBondContact O-N 3.43Å; Y114-W116 PolarHBondContact O-N 3.29Å; Y114-A117 PolarHBondContact O-N 2.96Å; Y114-T118 WeakPolarHBondContact O-CB 3.32Å; Y114-T118 VanDerWaalsContact O-CG2 3.32Å; Y114-T118 WeakPolarHBondContact O-CG2 3.35Å; Y114-T118 PolarHBondContact O-N 3.36Å; Y114-T118 PolarHBondContact O-OG1 3.11Å
115A91Very high90.4Very high66 Ų6654.1 Ų54.155%0.54529%0.293SS..Hα-helixtrans-59.4-35.617000000111.8M111 T118M111-A115 VanDerWaalsContact O-CB 3.28Å; M111-A115 WeakPolarHBondContact O-CB 3.4Å; M111-A115 PolarHBondContact O-N 2.88Å; A115-T118 PolarHBondContact O-OG1 3.02Å
116W91.6Very high89.8Confident41 Ų4159.9 Ų59.916%0.15532%0.321CS..Hα-helixtrans-77.9-42.7175.7-171.321.5000112.9W88 L89 I92 S112 F113 Y114 T118 L119 E192W88-W116 HydrophobicContact CB-CH2 4.01Å; W88-W116 HydrophobicContact CB-CZ3 4.23Å; L89-W116 HydrophobicContact CB-CH2 4.05Å; L89-W116 HydrophobicContact CB-CZ3 4Å; L89-W116 HydrophobicContact CD1-CD2 3.8Å; L89-W116 HydrophobicContact CD1-CE3 3.55Å; L89-W116 HydrophobicContact CD1-CG 4.38Å; L89-W116 HydrophobicContact CD1-CH2 4.3Å; L89-W116 HydrophobicContact CD1-CZ3 3.82Å; I92-W116 HydrophobicContact CD1-CZ3 4.19Å; S112-W116 PolarHBondContact O-N 3.38Å; S112-W116 VanDerWaalsContact O-N 3.09Å; F113-W116 CarbonylContact O-C 3.56Å; F113-W116 WeakPolarHBondContact O-CA 3.25Å; F113-W116 WeakPolarHBondContact O-CB 3.4Å; F113-W116 PolarHBondContact O-N 3.27Å; F113-W116 VanDerWaalsContact O-N 3.08Å; Y114-W116 PolarHBondContact O-N 3.29Å; W116-T118 VanDerWaalsContact C-N 3.27Å; W116-T118 PolarHBondContact O-N 2.75Å; W116-L119 WeakPolarHBondContact O-CB 3.42Å; W116-L119 PolarHBondContact O-N 3.27Å; W116-L119 VanDerWaalsContact O-N 3.14Å; W116-E192 WeakPolarHBondContact CZ2-OE1 3.43Å; W116-E192 PolarHBondContact NE1-OE1 2.87Å
117A92.2Very high89.2Confident16 Ų1663.5 Ų63.513%0.13234%0.342CS..Hα-helixtrans-65.7-29.8-179.600000112.8F113 Y114 L119 P120F113-A117 HydrophobicContact CE1-CB 4.39Å; F113-A117 HydrophobicContact CZ-CB 4.26Å; F113-A117 WeakPolarHBondContact O-CB 3.49Å; F113-A117 PolarHBondContact O-N 2.89Å; Y114-A117 PolarHBondContact O-N 2.96Å; A117-L119 VanDerWaalsContact C-N 3.31Å; A117-P120 WeakPolarHBondContact O-CD 3.4Å
118T90.8Very high88.6Confident55 Ų5564.2 Ų64.234%0.33735%0.346SS..THydrogen-bonded Turntrans-85.91.5176.955.60000113.5Y114 A115 W116 P120 L121 T122Y114-T118 WeakPolarHBondContact O-CB 3.32Å; Y114-T118 VanDerWaalsContact O-CG2 3.32Å; Y114-T118 WeakPolarHBondContact O-CG2 3.35Å; Y114-T118 PolarHBondContact O-N 3.36Å; Y114-T118 PolarHBondContact O-OG1 3.11Å; A115-T118 PolarHBondContact O-OG1 3.02Å; W116-T118 VanDerWaalsContact C-N 3.27Å; W116-T118 PolarHBondContact O-N 2.75Å; T118-P120 VanDerWaalsContact C-CD 3.43Å; T118-L121 WeakPolarHBondContact O-CB 3.46Å; T118-L121 PolarHBondContact O-N 2.92Å; T118-T122 PolarHBondContact O-N 2.91Å; T118-T122 PolarHBondContact O-OG1 3.45Å
119L89.6Confident87.8Confident43 Ų4362.8 Ų62.823%0.22535%0.349CS..Hα-helixtrans-52-42177.8-177.469.5000114.3W116 A117 L121 T122 T123 E192 I193W116-L119 WeakPolarHBondContact O-CB 3.42Å; W116-L119 PolarHBondContact O-N 3.27Å; W116-L119 VanDerWaalsContact O-N 3.14Å; A117-L119 VanDerWaalsContact C-N 3.31Å; L119-L121 VanDerWaalsContact C-N 3.32Å; L119-L121 PolarHBondContact O-N 2.87Å; L119-T122 WeakPolarHBondContact CA-OG1 3.39Å; L119-T122 PolarHBondContact O-N 3.45Å; L119-T122 PolarHBondContact O-OG1 3.45Å; L119-T122 VanDerWaalsContact O-OG1 3.08Å; L119-T123 WeakPolarHBondContact O-CB 3.5Å; L119-T123 PolarHBondContact O-N 3.25Å; L119-T123 PolarHBondContact O-OG1 3.39Å; L119-E192 HydrophobicContact CD2-CB 4.06Å; L119-E192 HydrophobicContact CD2-CG 3.74Å; L119-I193 HydrophobicContact CD2-CG1 4.42Å; L119-I193 HydrophobicContact CG-CG1 4.37Å
120P88.7Confident87.1Confident21 Ų2172.9 Ų72.914%0.13639%0.388CS..Hα-helixtrans-60.7-42.1175.9-23.435.3000112.1A117 T118 M124 I193 V196 V197A117-P120 WeakPolarHBondContact O-CD 3.4Å; T118-P120 VanDerWaalsContact C-CD 3.43Å; P120-M124 WeakPolarHBondContact O-CB 3.33Å; P120-M124 VanDerWaalsContact O-CG 3.23Å; P120-M124 WeakPolarHBondContact O-CG 3.41Å; P120-M124 PolarHBondContact O-N 3.26Å; P120-I193 HydrophobicContact CB-CG2 4.05Å; P120-I193 HydrophobicContact CG-CG2 4.13Å; P120-V196 HydrophobicContact CG-CB 4.18Å; P120-V196 HydrophobicContact CG-CG1 3.81Å; P120-V197 HydrophobicContact CG-CG2 4.44Å
121L87Confident86.5Confident109 Ų10977 Ų7757%0.57141%0.411SS*.Hα-helixtrans-69.1-42.8179.6-62.6174.7000111.5T118 L119 T123 M124 N125T118-L121 WeakPolarHBondContact O-CB 3.46Å; T118-L121 PolarHBondContact O-N 2.92Å; L119-L121 VanDerWaalsContact C-N 3.32Å; L119-L121 PolarHBondContact O-N 2.87Å; L121-T123 VanDerWaalsContact C-N 3.34Å; L121-T123 PolarHBondContact O-N 2.76Å; L121-M124 PolarHBondContact O-N 3.4Å; L121-N125 PolarHBondContact O-N 2.92Å; L121-N125 PolarHBondContact O-ND2 3.13Å
122T85Confident85.9Confident75 Ų7577.9 Ų77.946%0.4642%0.417SS..Hα-helixtrans-68.1-35.3178.956.40000111.9T118 L119 N125 L126T118-T122 PolarHBondContact O-N 2.91Å; T118-T122 PolarHBondContact O-OG1 3.45Å; L119-T122 WeakPolarHBondContact CA-OG1 3.39Å; L119-T122 PolarHBondContact O-N 3.45Å; L119-T122 PolarHBondContact O-OG1 3.45Å; L119-T122 VanDerWaalsContact O-OG1 3.08Å; T122-N125 WeakPolarHBondContact O-CB 3.26Å; T122-N125 PolarHBondContact O-N 3.47Å; T122-L126 PolarHBondContact O-N 2.92Å
123T85.1Confident85.2Confident34 Ų3481.6 Ų81.621%0.20944%0.44CS..Hα-helixtrans-69.7-39174.1-49.20000111.4L119 L121 N125 L126 I127 V189 I193L119-T123 WeakPolarHBondContact O-CB 3.5Å; L119-T123 PolarHBondContact O-N 3.25Å; L119-T123 PolarHBondContact O-OG1 3.39Å; L121-T123 VanDerWaalsContact C-N 3.34Å; L121-T123 PolarHBondContact O-N 2.76Å; T123-N125 VanDerWaalsContact C-N 3.29Å; T123-N125 PolarHBondContact O-N 3.04Å; T123-L126 WeakPolarHBondContact O-CB 3.44Å; T123-L126 PolarHBondContact O-N 3.36Å; T123-L126 VanDerWaalsContact O-N 3.15Å; T123-I127 PolarHBondContact O-N 3.35Å; T123-V189 HydrophobicContact CG2-CG1 4.19Å; T123-I193 HydrophobicContact CG2-CD1 3.82Å
124M83.6Confident84.4Confident114 Ų11487.4 Ų87.456%0.56247%0.471SS*.Hα-helixtrans-61.6-37.1172.8-76.4-178.2123.900112.1P120 L121 L126 I127 L128P120-M124 WeakPolarHBondContact O-CB 3.33Å; P120-M124 VanDerWaalsContact O-CG 3.23Å; P120-M124 WeakPolarHBondContact O-CG 3.41Å; P120-M124 PolarHBondContact O-N 3.26Å; L121-M124 PolarHBondContact O-N 3.4Å; M124-L126 VanDerWaalsContact C-N 3.26Å; M124-L126 PolarHBondContact O-N 3.12Å; M124-I127 PolarHBondContact O-N 2.95Å; M124-I127 VanDerWaalsContact O-N 3.12Å; M124-L128 WeakPolarHBondContact O-CB 3.46Å; M124-L128 WeakPolarHBondContact O-CG 3.05Å; M124-L128 PolarHBondContact O-N 2.87Å
125N83.3Confident83.7Confident87 Ų8786.2 Ų86.247%0.46548%0.477SS..Hα-helixtrans-60.1-34.7174.4-82.1-72000112.6L121 T122 T123 I127 L128 A129L121-N125 PolarHBondContact O-N 2.92Å; L121-N125 PolarHBondContact O-ND2 3.13Å; T122-N125 WeakPolarHBondContact O-CB 3.26Å; T122-N125 PolarHBondContact O-N 3.47Å; T123-N125 VanDerWaalsContact C-N 3.29Å; T123-N125 PolarHBondContact O-N 3.04Å; N125-I127 VanDerWaalsContact C-N 3.29Å; N125-I127 PolarHBondContact O-N 3.43Å; N125-L128 PolarHBondContact O-N 3.41Å; N125-A129 WeakPolarHBondContact O-CB 3.33Å; N125-A129 PolarHBondContact O-N 3.46Å
126L78.4Confident83.1Confident137 Ų13788.3 Ų88.372%0.71749%0.485SS*.Hα-helixtrans-63.9-36.9175.7-173.468.4000112T122 T123 M124T122-L126 PolarHBondContact O-N 2.92Å; T123-L126 WeakPolarHBondContact O-CB 3.44Å; T123-L126 PolarHBondContact O-N 3.36Å; T123-L126 VanDerWaalsContact O-N 3.15Å; M124-L126 VanDerWaalsContact C-N 3.26Å; M124-L126 PolarHBondContact O-N 3.12Å
127I79.1Confident82.8Confident113 Ų11391.3 Ų91.358%0.57950%0.501SS*.Hα-helixtrans-75.7-46.1177.3-59.1171.9000110.2T123 M124 N125 A129 Y130T123-I127 PolarHBondContact O-N 3.35Å; M124-I127 PolarHBondContact O-N 2.95Å; M124-I127 VanDerWaalsContact O-N 3.12Å; N125-I127 VanDerWaalsContact C-N 3.29Å; N125-I127 PolarHBondContact O-N 3.43Å; I127-A129 VanDerWaalsContact C-N 3.33Å; I127-A129 PolarHBondContact O-N 2.89Å; I127-Y130 WeakPolarHBondContact O-CB 2.78Å; I127-Y130 PolarHBondContact O-N 3.32Å
128L80.6Confident82.5Confident88 Ų8895.2 Ų95.246%0.46153%0.525SS..Hα-helixtrans-66.7-33.7-179.6-70.2173.8000112M124 N125 Y130 V131 L132M124-L128 WeakPolarHBondContact O-CB 3.46Å; M124-L128 WeakPolarHBondContact O-CG 3.05Å; M124-L128 PolarHBondContact O-N 2.87Å; N125-L128 PolarHBondContact O-N 3.41Å; L128-Y130 PolarHBondContact O-N 3.03Å; L128-V131 CarbonylContact O-C 3.56Å; L128-V131 PolarHBondContact O-N 3.04Å; L128-L132 PolarHBondContact O-N 3.21Å
129A78Confident82.5Confident50 Ų5098.7 Ų98.741%0.41354%0.54SS..Hα-helixtrans-62-25.9176.200000112.8N125 I127N125-A129 WeakPolarHBondContact O-CB 3.33Å; N125-A129 PolarHBondContact O-N 3.46Å; I127-A129 VanDerWaalsContact C-N 3.33Å; I127-A129 PolarHBondContact O-N 2.89Å
130Y76.6Confident82.3Confident213 Ų213100 Ų10084%0.83555%0.552SS**Hα-helixtrans-72-31.8172.1-176-98.2000112.3I127 L128I127-Y130 WeakPolarHBondContact O-CB 2.78Å; I127-Y130 PolarHBondContact O-N 3.32Å; L128-Y130 PolarHBondContact O-N 3.03Å
131V82.2Confident82.2Confident103 Ų103103.4 Ų103.462%0.62457%0.569SS**Hα-helixtrans-90.9-37.6-177.7-1770000111.9L128L128-V131 CarbonylContact O-C 3.56Å; L128-V131 PolarHBondContact O-N 3.04Å
132L81.5Confident82.4Confident115 Ų115104.8 Ų104.860%0.60257%0.571SS**SBendtrans-125.990.1-176.8-76.2156.9000108L128 L134L128-L132 PolarHBondContact O-N 3.21Å; L132-L134 PolarHBondContact O-N 3.45Å; L132-L134 VanDerWaalsContact O-N 3.09Å
133P76.8Confident82.7Confident116 Ų116105.7 Ų105.775%0.75357%0.572SS**  trans-66.7112.7179.626.4-32.7000109.8
134L77.3Confident82.7Confident127 Ų127109.1 Ų109.167%0.66559%0.593SS**PPolyproline II helixtrans-77.9155.2171.4-70.6173.7000110.3L132L132-L134 PolarHBondContact O-N 3.45Å; L132-L134 VanDerWaalsContact O-N 3.09Å
135P80.3Confident83Confident88 Ų88106.7 Ų106.757%0.57159%0.591SS**PPolyproline II helixtrans-58.3136.8176.824.5-34.4000110.4Q137P135-Q137 PolarHBondContact O-N 3.25Å; P135-Q137 PolarHBondContact O-NE2 3.47Å
136P77.4Confident83.5Confident110 Ų110108.1 Ų108.171%0.71459%0.593SS**PPolyproline II helixtrans-59.2129.6-175.123.5-33.2000111P138P136-P138 WeakPolarHBondContact O-CD 3.43Å
137Q85.8Confident84Confident104 Ų104105.6 Ų105.649%0.48658%0.583SS.*  trans-118.481.7178.8-65.3-55.8-56.900108.6P135 I139 C140 D141P135-Q137 PolarHBondContact O-N 3.25Å; P135-Q137 PolarHBondContact O-NE2 3.47Å; Q137-I139 PolarHBondContact O-N 3.08Å; Q137-C140 HydrophobicContact CB-CB 3.94Å; Q137-C140 PolarHBondContact O-N 3.41Å; Q137-D141 PolarHBondContact N-OD2 3.39Å; Q137-D141 VanDerWaalsContact O-CG 3.25Å; Q137-D141 PolarHBondContact O-N 2.92Å
138P85.8Confident84.4Confident97 Ų97102 Ų10263%0.6357%0.574SS**Hα-helixtrans-58.5-32.8-165.721.4-33.6000113.7P136 F142P136-P138 WeakPolarHBondContact O-CD 3.43Å; P138-F142 WeakPolarHBondContact O-CB 3.45Å; P138-F142 PolarHBondContact O-N 2.78Å
139I91.2Very high85Confident129 Ų129100.5 Ų100.566%0.66258%0.575SS**Hα-helixtrans-69.4-47.4177.5-60.2172.9000110.8Q137 F142 L143Q137-I139 PolarHBondContact O-N 3.08Å; I139-F142 PolarHBondContact O-N 3.45Å; I139-L143 HydrophobicContact CG2-CD1 4.13Å; I139-L143 WeakPolarHBondContact O-CB 3.37Å; I139-L143 VanDerWaalsContact O-CG 3.28Å; I139-L143 WeakPolarHBondContact O-CG 3.41Å; I139-L143 PolarHBondContact O-N 3.09Å
140C85.7Confident85.5Confident71 Ų71101 Ų10148%0.4857%0.572SS.*Hα-helixtrans-63.9-44.2178.2-66.60000110.7Q137 F142 L143 V144Q137-C140 HydrophobicContact CB-CB 3.94Å; Q137-C140 PolarHBondContact O-N 3.41Å; C140-F142 VanDerWaalsContact C-N 3.35Å; C140-F142 PolarHBondContact O-N 3.5Å; C140-L143 PolarHBondContact O-N 2.67Å; C140-V144 WeakPolarHBondContact O-CB 3.39Å; C140-V144 VanDerWaalsContact O-CG2 3.3Å; C140-V144 WeakPolarHBondContact O-CG2 3.3Å; C140-V144 PolarHBondContact O-N 2.98Å
141D85.7Confident86.1Confident92 Ų9294.1 Ų94.149%0.49255%0.55SS..Hα-helixtrans-60.9-44.6178.4-62.8-26.9000111Q137 V144 A145Q137-D141 PolarHBondContact N-OD2 3.39Å; Q137-D141 VanDerWaalsContact O-CG 3.25Å; Q137-D141 PolarHBondContact O-N 2.92Å; D141-V144 PolarHBondContact O-N 2.92Å; D141-A145 VanDerWaalsContact O-CB 3.22Å; D141-A145 WeakPolarHBondContact O-CB 3.27Å; D141-A145 PolarHBondContact O-N 3.15Å
142F91.7Very high86.4Confident137 Ų13792.8 Ų92.860%0.60154%0.539SS*.Hα-helixtrans-61.4-46.6174.8176.3-98.4000112.3P138 I139 C140 V144 A145 F146P138-F142 WeakPolarHBondContact O-CB 3.45Å; P138-F142 PolarHBondContact O-N 2.78Å; I139-F142 PolarHBondContact O-N 3.45Å; C140-F142 VanDerWaalsContact C-N 3.35Å; C140-F142 PolarHBondContact O-N 3.5Å; F142-V144 PolarHBondContact O-N 3.33Å; F142-A145 PolarHBondContact O-N 2.95Å; F142-F146 VanDerWaalsContact O-CB 3.24Å; F142-F146 WeakPolarHBondContact O-CB 3.45Å; F142-F146 PolarHBondContact O-N 3.11Å
143L90.4Very high86.9Confident94 Ų9493.9 Ų93.949%0.49254%0.536SS..Hα-helixtrans-63.5-42.6179.8-72173.8000111.8I139 C140 F146 V147I139-L143 HydrophobicContact CG2-CD1 4.13Å; I139-L143 WeakPolarHBondContact O-CB 3.37Å; I139-L143 VanDerWaalsContact O-CG 3.28Å; I139-L143 WeakPolarHBondContact O-CG 3.41Å; I139-L143 PolarHBondContact O-N 3.09Å; C140-L143 PolarHBondContact O-N 2.67Å; L143-F146 PolarHBondContact O-N 2.99Å; L143-V147 WeakPolarHBondContact O-CB 3.24Å; L143-V147 VanDerWaalsContact O-CG2 3.27Å; L143-V147 WeakPolarHBondContact O-CG2 3.11Å; L143-V147 PolarHBondContact O-N 3.37Å
144V86.4Confident87.4Confident107 Ų10789.7 Ų89.765%0.64851%0.506SS*.Hα-helixtrans-64.7-46.8176.6171.70000110.5C140 D141 F142 F146 V147 G148C140-V144 WeakPolarHBondContact O-CB 3.39Å; C140-V144 VanDerWaalsContact O-CG2 3.3Å; C140-V144 WeakPolarHBondContact O-CG2 3.3Å; C140-V144 PolarHBondContact O-N 2.98Å; D141-V144 PolarHBondContact O-N 2.92Å; F142-V144 PolarHBondContact O-N 3.33Å; V144-F146 VanDerWaalsContact C-N 3.34Å; V144-F146 PolarHBondContact O-N 3.34Å; V144-V147 PolarHBondContact O-N 3.15Å; V144-G148 PolarHBondContact O-N 3.27Å
145A88.6Confident87.9Confident62 Ų6286.4 Ų86.451%0.51249%0.486SS..Hα-helixtrans-60.9-42.6176.900000111.8D141 F142 G148 A149D141-A145 VanDerWaalsContact O-CB 3.22Å; D141-A145 WeakPolarHBondContact O-CB 3.27Å; D141-A145 PolarHBondContact O-N 3.15Å; F142-A145 PolarHBondContact O-N 2.95Å; A145-G148 PolarHBondContact O-N 2.96Å; A145-A149 WeakPolarHBondContact O-CB 3.47Å; A145-A149 PolarHBondContact O-N 2.92Å
146F93.2Very high88.4Confident118 Ų11884.2 Ų84.252%0.51847%0.469SS..Hα-helixtrans-63.8-48.4177.3178.7-102.3000112F142 L143 V144 G148 A149 V150F142-F146 VanDerWaalsContact O-CB 3.24Å; F142-F146 WeakPolarHBondContact O-CB 3.45Å; F142-F146 PolarHBondContact O-N 3.11Å; L143-F146 PolarHBondContact O-N 2.99Å; V144-F146 VanDerWaalsContact C-N 3.34Å; V144-F146 PolarHBondContact O-N 3.34Å; F146-G148 VanDerWaalsContact C-N 3.29Å; F146-G148 PolarHBondContact O-N 3.37Å; F146-A149 PolarHBondContact O-N 3.43Å; F146-V150 HydrophobicContact CD1-CG2 4.42Å; F146-V150 HydrophobicContact CE1-CG2 4.02Å; F146-V150 HydrophobicContact CE2-CG2 4.13Å; F146-V150 HydrophobicContact CZ-CG2 3.86Å; F146-V150 WeakPolarHBondContact O-CG2 3.26Å; F146-V150 PolarHBondContact O-N 3.27Å
147V89Confident88.9Confident83 Ų8381.5 Ų81.550%0.50345%0.446SS..Hα-helixtrans-61.4-40.9176170.90000110.6L143 V144 N151L143-V147 WeakPolarHBondContact O-CB 3.24Å; L143-V147 VanDerWaalsContact O-CG2 3.27Å; L143-V147 WeakPolarHBondContact O-CG2 3.11Å; L143-V147 PolarHBondContact O-N 3.37Å; V144-V147 PolarHBondContact O-N 3.15Å; V147-N151 WeakPolarHBondContact CG1-ND2 3.15Å; V147-N151 WeakPolarHBondContact O-CB 3.39Å; V147-N151 PolarHBondContact O-N 2.99Å; V147-N151 PolarHBondContact O-ND2 2.47Å
148G88.6Confident88.9Confident38 Ų3877 Ų7739%0.39243%0.428SS..Hα-helixtrans-58.3-50.2173.400000112.3V144 A145 F146 V150 N151 L152V144-G148 PolarHBondContact O-N 3.27Å; A145-G148 PolarHBondContact O-N 2.96Å; F146-G148 VanDerWaalsContact C-N 3.29Å; F146-G148 PolarHBondContact O-N 3.37Å; G148-V150 PolarHBondContact O-N 3.04Å; G148-N151 PolarHBondContact O-N 2.99Å; G148-L152 WeakPolarHBondContact O-CB 3.47Å; G148-L152 PolarHBondContact O-N 3.28Å
149A92Very high88.9Confident57 Ų5773.4 Ų73.447%0.47140%0.404SS..Hα-helixtrans-61.5-44.3179.100000112.4A145 F146 N151 L152 Y153A145-A149 WeakPolarHBondContact O-CB 3.47Å; A145-A149 PolarHBondContact O-N 2.92Å; F146-A149 PolarHBondContact O-N 3.43Å; A149-N151 PolarHBondContact O-N 3.47Å; A149-L152 PolarHBondContact O-N 3.42Å; A149-Y153 WeakPolarHBondContact O-CB 3.44Å; A149-Y153 PolarHBondContact O-N 2.83Å
150V90.5Very high88.7Confident59 Ų5973.2 Ų73.236%0.35840%0.395SS..Hα-helixtrans-63.6-41176.2172.60000111.1F146 G148 M154F146-V150 HydrophobicContact CD1-CG2 4.42Å; F146-V150 HydrophobicContact CE1-CG2 4.02Å; F146-V150 HydrophobicContact CE2-CG2 4.13Å; F146-V150 HydrophobicContact CZ-CG2 3.86Å; F146-V150 WeakPolarHBondContact O-CG2 3.26Å; F146-V150 PolarHBondContact O-N 3.27Å; G148-V150 PolarHBondContact O-N 3.04Å; V150-M154 HydrophobicContact CG1-CG 4.39Å; V150-M154 WeakPolarHBondContact O-CB 3.12Å; V150-M154 WeakPolarHBondContact O-CG 3.48Å; V150-M154 PolarHBondContact O-N 3.37Å
151N87.5Confident88.6Confident70 Ų7073.3 Ų73.337%0.37439%0.387SS..Hα-helixtrans-64-44.1175.9-82-60.9000112.2K6 V147 G148 A149 M154 Y155K6-N151 PolarHBondContact NZ-OD1 3.22Å; V147-N151 WeakPolarHBondContact CG1-ND2 3.15Å; V147-N151 WeakPolarHBondContact O-CB 3.39Å; V147-N151 PolarHBondContact O-N 2.99Å; V147-N151 PolarHBondContact O-ND2 2.47Å; G148-N151 PolarHBondContact O-N 2.99Å; A149-N151 PolarHBondContact O-N 3.47Å; N151-M154 PolarHBondContact O-N 3.32Å; N151-Y155 WeakPolarHBondContact O-CB 3.39Å; N151-Y155 PolarHBondContact O-N 3.27Å
152L89.8Confident88.5Confident75 Ų7572.2 Ų72.239%0.39339%0.387SS..Hα-helixtrans-63.6-46.8177.5-178.161.8000111.4G148 A149 M154 Y155 I156 I185G148-L152 WeakPolarHBondContact O-CB 3.47Å; G148-L152 PolarHBondContact O-N 3.28Å; A149-L152 PolarHBondContact O-N 3.42Å; L152-M154 VanDerWaalsContact C-N 3.33Å; L152-M154 PolarHBondContact O-N 2.98Å; L152-Y155 WeakPolarHBondContact O-CA 3Å; L152-Y155 WeakPolarHBondContact O-CB 3.31Å; L152-Y155 PolarHBondContact O-N 2.88Å; L152-Y155 VanDerWaalsContact O-N 3.08Å; L152-I156 HydrophobicContact CD1-CD1 4.2Å; L152-I156 HydrophobicContact CD1-CG1 4.45Å; L152-I156 HydrophobicContact CG-CD1 4.03Å; L152-I156 WeakPolarHBondContact O-CG1 3.3Å; L152-I156 PolarHBondContact O-N 3.37Å; L152-I185 HydrophobicContact CD1-CD1 3.49Å; L152-I185 VanDerWaalsContact CD1-CD1 3.49Å
153Y91.2Very high88.1Confident138 Ų13867.6 Ų67.654%0.54137%0.368SS..Hα-helixtrans-55.2-48.7174.2168.2-99.8000111.3A149 Y155 I156 F157A149-Y153 WeakPolarHBondContact O-CB 3.44Å; A149-Y153 PolarHBondContact O-N 2.83Å; Y153-Y155 PolarHBondContact O-N 2.96Å; Y153-I156 PolarHBondContact O-N 3.22Å; Y153-F157 WeakPolarHBondContact O-CB 3.35Å; Y153-F157 PolarHBondContact O-N 3.18Å
154M88.1Confident87.7Confident27 Ų2764.8 Ų64.813%0.13336%0.358CS..Hα-helixtrans-62.3-34.7179.3-70-73.3-81.300111.6T2 R5 K6 V150 N151 L152 G158T2-M154 HydrophobicContact CG2-CB 4.08Å; T2-M154 WeakPolarHBondContact CG2-O 3.34Å; R5-M154 HydrophobicContact CB-CE 3.39Å; R5-M154 HydrophobicContact CB-SD 4.43Å; K6-M154 HydrophobicContact CG-CE 3.61Å; V150-M154 HydrophobicContact CG1-CG 4.39Å; V150-M154 WeakPolarHBondContact O-CB 3.12Å; V150-M154 WeakPolarHBondContact O-CG 3.48Å; V150-M154 PolarHBondContact O-N 3.37Å; N151-M154 PolarHBondContact O-N 3.32Å; L152-M154 VanDerWaalsContact C-N 3.33Å; L152-M154 PolarHBondContact O-N 2.98Å; M154-G158 PolarHBondContact O-N 3.3Å
155Y87.7Confident87.1Confident58 Ų5864.7 Ų64.723%0.22736%0.362CS..Hα-helixtrans-65-55.4175.5-161.6-94.4000112.1T2 N151 L152 Y153 F157 G158 V159 A181 I185 N188T2-Y155 HydrophobicContact CG2-CD2 4.1Å; T2-Y155 HydrophobicContact CG2-CG 4.47Å; T2-Y155 VanDerWaalsContact CG2-N 3.32Å; N151-Y155 WeakPolarHBondContact O-CB 3.39Å; N151-Y155 PolarHBondContact O-N 3.27Å; L152-Y155 WeakPolarHBondContact O-CA 3Å; L152-Y155 WeakPolarHBondContact O-CB 3.31Å; L152-Y155 PolarHBondContact O-N 2.88Å; L152-Y155 VanDerWaalsContact O-N 3.08Å; Y153-Y155 PolarHBondContact O-N 2.96Å; Y155-F157 VanDerWaalsContact C-N 3.35Å; Y155-F157 PolarHBondContact O-N 3Å; Y155-G158 WeakPolarHBondContact O-CA 3.21Å; Y155-G158 PolarHBondContact O-N 3.17Å; Y155-G158 VanDerWaalsContact O-N 3.07Å; Y155-V159 HydrophobicContact CD1-CG2 4.34Å; Y155-V159 HydrophobicContact CE1-CG2 4.22Å; Y155-V159 WeakPolarHBondContact O-CG2 3.5Å; Y155-V159 PolarHBondContact O-N 3.42Å; Y155-A181 HydrophobicContact CE1-CB 3.83Å; Y155-A181 WeakPolarHBondContact CE1-O 3.29Å; Y155-I185 HydrophobicContact CD1-CD1 3.86Å; Y155-I185 HydrophobicContact CD1-CG1 4Å; Y155-I185 HydrophobicContact CE1-CD1 4.18Å; Y155-I185 HydrophobicContact CE1-CG1 3.83Å; Y155-I185 HydrophobicContact CG-CD1 4.34Å; Y155-I185 HydrophobicContact CG-CG1 4.5Å; Y155-N188 PolarHBondContact OH-ND2 2.91Å
156I89.5Confident86.6Confident42 Ų4271.3 Ų71.322%0.21537%0.374CS..Hα-helixtrans-57.8-48.9177.5-66.3167.8000110.4L152 Y153 G158 V159 W160 T178 I182L152-I156 HydrophobicContact CD1-CD1 4.2Å; L152-I156 HydrophobicContact CD1-CG1 4.45Å; L152-I156 HydrophobicContact CG-CD1 4.03Å; L152-I156 WeakPolarHBondContact O-CG1 3.3Å; L152-I156 PolarHBondContact O-N 3.37Å; Y153-I156 PolarHBondContact O-N 3.22Å; I156-G158 VanDerWaalsContact C-N 3.26Å; I156-G158 PolarHBondContact O-N 3.05Å; I156-V159 WeakPolarHBondContact O-CB 3.47Å; I156-V159 PolarHBondContact O-N 2.78Å; I156-V159 VanDerWaalsContact O-N 3.14Å; I156-W160 HydrophobicContact CG2-CD2 4.31Å; I156-W160 HydrophobicContact CG2-CZ2 4.27Å; I156-W160 PolarHBondContact O-N 2.84Å; I156-T178 HydrophobicContact CG1-CG2 4.44Å; I156-T178 HydrophobicContact CG2-CG2 4Å; I156-I182 HydrophobicContact CD1-CD1 4.24Å; I156-I182 HydrophobicContact CG1-CD1 4.38Å; I156-I182 HydrophobicContact CG1-CG1 4.42Å
157F88Confident85.9Confident53 Ų5368.9 Ų68.923%0.23236%0.362CS..Hα-helixtrans-57.9-40.8176.8-174.7-78.8000111.7Y153 Y155 W160 K161Y153-F157 WeakPolarHBondContact O-CB 3.35Å; Y153-F157 PolarHBondContact O-N 3.18Å; Y155-F157 VanDerWaalsContact C-N 3.35Å; Y155-F157 PolarHBondContact O-N 3Å; F157-W160 PolarHBondContact O-N 3.03Å; F157-K161 HydrophobicContact CE1-CB 4.12Å; F157-K161 PolarHBondContact O-N 3.05Å
158G85.6Confident85.3Confident10 Ų1069.2 Ų69.210%0.10337%0.367CS..Hα-helixtrans-61.9-43176.700000112.8M154 Y155 I156 S162M154-G158 PolarHBondContact O-N 3.3Å; Y155-G158 WeakPolarHBondContact O-CA 3.21Å; Y155-G158 PolarHBondContact O-N 3.17Å; Y155-G158 VanDerWaalsContact O-N 3.07Å; I156-G158 VanDerWaalsContact C-N 3.26Å; I156-G158 PolarHBondContact O-N 3.05Å; G158-S162 WeakPolarHBondContact O-CB 3.36Å; G158-S162 PolarHBondContact O-N 3.39Å
159V86.4Confident84.9Confident21 Ų2176 Ų7613%0.12739%0.388CS..Hα-helixtrans-63-48.9175.3173.80000110.2Y155 I156 K161 S162 L163 A181Y155-V159 HydrophobicContact CD1-CG2 4.34Å; Y155-V159 HydrophobicContact CE1-CG2 4.22Å; Y155-V159 WeakPolarHBondContact O-CG2 3.5Å; Y155-V159 PolarHBondContact O-N 3.42Å; I156-V159 WeakPolarHBondContact O-CB 3.47Å; I156-V159 PolarHBondContact O-N 2.78Å; I156-V159 VanDerWaalsContact O-N 3.14Å; V159-K161 PolarHBondContact O-N 3.47Å; V159-S162 PolarHBondContact O-N 3.05Å; V159-L163 HydrophobicContact CG1-CD1 3.7Å; V159-L163 HydrophobicContact CG1-CG 4.35Å; V159-L163 WeakPolarHBondContact O-CB 3.41Å; V159-L163 WeakPolarHBondContact O-CG 3.39Å; V159-L163 PolarHBondContact O-N 2.89Å; V159-A181 HydrophobicContact CG1-CB 4.29Å; V159-A181 HydrophobicContact CG2-CB 3.62Å
160W87.7Confident84.6Confident125 Ų12581.1 Ų81.147%0.47340%0.395SS..Hα-helixtrans-59.9-46.3178.7-74.112.5000111.5I156 F157 S162 L163 A164 T178I156-W160 HydrophobicContact CG2-CD2 4.31Å; I156-W160 HydrophobicContact CG2-CZ2 4.27Å; I156-W160 PolarHBondContact O-N 2.84Å; F157-W160 PolarHBondContact O-N 3.03Å; W160-S162 VanDerWaalsContact C-N 3.32Å; W160-S162 PolarHBondContact O-N 3.5Å; W160-L163 PolarHBondContact O-N 2.82Å; W160-A164 WeakPolarHBondContact O-CA 3.26Å; W160-A164 WeakPolarHBondContact O-CB 3.49Å; W160-A164 PolarHBondContact O-N 3.03Å; W160-T178 VanDerWaalsContact CD1-OG1 3.31Å; W160-T178 PolarHBondContact NE1-OG1 3.46Å
161K83.8Confident84.3Confident74 Ų7482.7 Ų82.732%0.32241%0.407SS..Hα-helixtrans-61.8-41.9177-163.4-172.3-178.4-158.80112M1 E69 F157 V159 L163M1-K161 HydrophobicContact CE-CD 4.09Å; M1-K161 HydrophobicContact SD-CB 4.22Å; M1-K161 HydrophobicContact SD-CD 4.13Å; M1-K161 HydrophobicContact SD-CG 4.3Å; E69-K161 WeakPolarHBondContact OE1-CE 3.41Å; E69-K161 IonicContact OE1-NZ 2.76Å; E69-K161 PolarHBondContact OE1-NZ 2.95Å; F157-K161 HydrophobicContact CE1-CB 4.12Å; F157-K161 PolarHBondContact O-N 3.05Å; V159-K161 PolarHBondContact O-N 3.47Å; K161-L163 VanDerWaalsContact C-N 3.34Å; K161-L163 PolarHBondContact O-N 3.36Å
162S83.4Confident84.4Confident69 Ų6986.1 Ų86.148%0.48342%0.423SS..Hα-helixtrans-66.9-34.5-179.5-120.30000113.1G158 V159 W160G158-S162 WeakPolarHBondContact O-CB 3.36Å; G158-S162 PolarHBondContact O-N 3.39Å; V159-S162 PolarHBondContact O-N 3.05Å; W160-S162 VanDerWaalsContact C-N 3.32Å; W160-S162 PolarHBondContact O-N 3.5Å
163L83.7Confident84.3Confident39 Ų3986.4 Ų86.420%0.20442%0.424CS..Hα-helixtrans-103-25.9-172.8-63.8-176.6000113.6V159 W160 K161 S165 R166 Y167 L174 Y177V159-L163 HydrophobicContact CG1-CD1 3.7Å; V159-L163 HydrophobicContact CG1-CG 4.35Å; V159-L163 WeakPolarHBondContact O-CB 3.41Å; V159-L163 WeakPolarHBondContact O-CG 3.39Å; V159-L163 PolarHBondContact O-N 2.89Å; W160-L163 PolarHBondContact O-N 2.82Å; K161-L163 VanDerWaalsContact C-N 3.34Å; K161-L163 PolarHBondContact O-N 3.36Å; L163-S165 VanDerWaalsContact C-N 3.28Å; L163-S165 PolarHBondContact O-N 2.98Å; L163-R166 PolarHBondContact O-N 3.47Å; L163-Y167 HydrophobicContact CB-CD2 4.08Å; L163-Y167 HydrophobicContact CD2-CD2 4.22Å; L163-Y167 HydrophobicContact CD2-CE2 4.09Å; L163-Y167 PolarHBondContact O-N 2.88Å; L163-L174 HydrophobicContact CB-CD1 3.87Å; L163-Y177 VanDerWaalsContact CD1-CB 3.41Å; L163-Y177 HydrophobicContact CD1-CD2 4.13Å; L163-Y177 HydrophobicContact CD1-CG 3.82Å
164A80Confident84.1Confident35 Ų3581.2 Ų81.229%0.28941%0.405SS..Hα-helixtrans-59.1-39.3-178.200000111.4W160 R166 Y167 C168W160-A164 WeakPolarHBondContact O-CA 3.26Å; W160-A164 WeakPolarHBondContact O-CB 3.49Å; W160-A164 PolarHBondContact O-N 3.03Å; A164-R166 PolarHBondContact O-N 2.85Å; A164-Y167 PolarHBondContact O-N 3.38Å; A164-C168 WeakPolarHBondContact O-CA 3.32Å; A164-C168 WeakPolarHBondContact O-CB 3.35Å; A164-C168 PolarHBondContact O-N 3.46Å
165S75.7Confident84.2Confident105 Ų10585.9 Ų85.973%0.73443%0.43SS*.Hα-helixtrans-58.8-32.7175.91740000112.9L163L163-S165 VanDerWaalsContact C-N 3.28Å; L163-S165 PolarHBondContact O-N 2.98Å
166R77Confident84.4Confident202 Ų20290.4 Ų90.476%0.76245%0.448SS*.Hα-helixtrans-94.6-30.6-179.4-67.5-173-178.2-114.41.1114L163 A164L163-R166 PolarHBondContact O-N 3.47Å; A164-R166 PolarHBondContact O-N 2.85Å
167Y78.8Confident84.4Confident66 Ų6692.4 Ų92.426%0.25945%0.453SS..Hα-helixtrans-121.418.3-170-62.3-74.6000113.4L163 A164 H169 R170 M173 Y177L163-Y167 HydrophobicContact CB-CD2 4.08Å; L163-Y167 HydrophobicContact CD2-CD2 4.22Å; L163-Y167 HydrophobicContact CD2-CE2 4.09Å; L163-Y167 PolarHBondContact O-N 2.88Å; A164-Y167 PolarHBondContact O-N 3.38Å; Y167-H169 PolarHBondContact O-N 3.22Å; Y167-H169 VanDerWaalsContact O-N 3.1Å; Y167-R170 CarbonylContact O-C 3.57Å; Y167-R170 PolarHBondContact O-N 2.92Å; Y167-M173 HydrophobicContact CD1-CB 4.32Å; Y167-Y177 HydrophobicContact CD2-CE2 4.38Å; Y167-Y177 HydrophobicContact CE1-CE2 4.15Å; Y167-Y177 HydrophobicContact CE2-CD2 4.37Å; Y167-Y177 AromaticContact CE2-CE2 3.9Å; Y167-Y177 HydrophobicContact CE2-CE2 3.9Å; Y167-Y177 AromaticContact CZ-CE2 3.76Å
168C75.5Confident84.5Confident91 Ų9190.4 Ų90.462%0.61545%0.445SS*.THydrogen-bonded Turntrans-49.3-39.9178.4-161.50000112.3A164 R170A164-C168 WeakPolarHBondContact O-CA 3.32Å; A164-C168 WeakPolarHBondContact O-CB 3.35Å; A164-C168 PolarHBondContact O-N 3.46Å; C168-R170 VanDerWaalsContact C-N 3.32Å; C168-R170 PolarHBondContact O-N 2.84Å
169H80.9Confident84.9Confident180 Ų18092.2 Ų92.283%0.83346%0.459SS*.THydrogen-bonded Turntrans-82.6-1.6-177.7-53.4-62000114.6Y167Y167-H169 PolarHBondContact O-N 3.22Å; Y167-H169 VanDerWaalsContact O-N 3.1Å
170R85.9Confident85.1Confident164 Ų16492.9 Ų92.962%0.61947%0.467SS*.  trans-130.876.8-176.7-66.5-172.5177.1-176.8-0.6110.8Y167 C168 I172 M173 L174Y167-R170 CarbonylContact O-C 3.57Å; Y167-R170 PolarHBondContact O-N 2.92Å; C168-R170 VanDerWaalsContact C-N 3.32Å; C168-R170 PolarHBondContact O-N 2.84Å; R170-I172 VanDerWaalsContact C-N 3.27Å; R170-I172 PolarHBondContact O-N 3.18Å; R170-M173 HydrophobicContact CB-CB 3.96Å; R170-M173 HydrophobicContact CB-CG 3.97Å; R170-M173 WeakPolarHBondContact O-CB 3.24Å; R170-M173 PolarHBondContact O-N 3.49Å; R170-L174 PolarHBondContact O-N 3.29Å; R170-L174 VanDerWaalsContact O-N 3.08Å
171P84.5Confident85.2Confident93 Ų9387.4 Ų87.460%0.60445%0.449SS*.Hα-helixtrans-61.4-34.6-175.524.5-34.2000112.9M173 L174 L175P171-M173 VanDerWaalsContact C-N 3.32Å; P171-M173 PolarHBondContact O-N 3.4Å; P171-L174 PolarHBondContact O-N 3.24Å; P171-L175 PolarHBondContact O-N 3.1Å
172I88.6Confident85.6Confident141 Ų14187.4 Ų87.472%0.72345%0.451SS*.Hα-helixtrans-60.8-42.7176.1-61.8172.5000110.9R170 L175 Y176R170-I172 VanDerWaalsContact C-N 3.27Å; R170-I172 PolarHBondContact O-N 3.18Å; I172-L175 PolarHBondContact O-N 3.2Å; I172-Y176 WeakPolarHBondContact O-CB 3.45Å; I172-Y176 PolarHBondContact O-N 2.92Å
173M87.4Confident86Confident81 Ų8188.9 Ų88.940%0.39946%0.46SS..Hα-helixtrans-67.1-41176.9-68.2-66.4178.700111.1Y167 R170 P171 L175 Y176 Y177Y167-M173 HydrophobicContact CD1-CB 4.32Å; R170-M173 HydrophobicContact CB-CB 3.96Å; R170-M173 HydrophobicContact CB-CG 3.97Å; R170-M173 WeakPolarHBondContact O-CB 3.24Å; R170-M173 PolarHBondContact O-N 3.49Å; P171-M173 VanDerWaalsContact C-N 3.32Å; P171-M173 PolarHBondContact O-N 3.4Å; M173-L175 VanDerWaalsContact C-N 3.33Å; M173-L175 PolarHBondContact O-N 3.09Å; M173-Y176 PolarHBondContact O-N 3.4Å; M173-Y177 HydrophobicContact CB-CE2 4.39Å; M173-Y177 WeakPolarHBondContact O-CD2 3.41Å; M173-Y177 PolarHBondContact O-N 3.48Å
174L88.7Confident86.4Confident30 Ų3090.9 Ų90.916%0.15747%0.471CS..Hα-helixtrans-61-42.2175.7-175.663.5000111.7L163 R170 P171 T178L163-L174 HydrophobicContact CB-CD1 3.87Å; R170-L174 PolarHBondContact O-N 3.29Å; R170-L174 VanDerWaalsContact O-N 3.08Å; P171-L174 PolarHBondContact O-N 3.24Å; L174-T178 WeakPolarHBondContact O-CB 3.35Å; L174-T178 PolarHBondContact O-N 2.95Å; L174-T178 PolarHBondContact O-OG1 3.13Å
175L89.9Confident86.8Confident124 Ų12491.3 Ų91.365%0.64947%0.468SS*.Hα-helixtrans-64.2-45.9175.9-178.462.2000111.4P171 I172 M173 Y177 T178 A179P171-L175 PolarHBondContact O-N 3.1Å; I172-L175 PolarHBondContact O-N 3.2Å; M173-L175 VanDerWaalsContact C-N 3.33Å; M173-L175 PolarHBondContact O-N 3.09Å; L175-Y177 PolarHBondContact O-N 3.02Å; L175-T178 WeakPolarHBondContact O-CB 3.47Å; L175-T178 PolarHBondContact O-N 2.84Å; L175-T178 VanDerWaalsContact O-N 3.13Å; L175-A179 PolarHBondContact O-N 2.89Å
176Y91.1Very high87.5Confident154 Ų15490.3 Ų90.360%0.60446%0.458SS*.Hα-helixtrans-56.4-49.2175.7174.2-98.3000111.9I172 M173 T178 A179 A180I172-Y176 WeakPolarHBondContact O-CB 3.45Å; I172-Y176 PolarHBondContact O-N 2.92Å; M173-Y176 PolarHBondContact O-N 3.4Å; Y176-T178 VanDerWaalsContact C-N 3.29Å; Y176-T178 PolarHBondContact O-N 3.05Å; Y176-A179 PolarHBondContact O-N 3.48Å; Y176-A180 WeakPolarHBondContact O-CB 3.49Å; Y176-A180 PolarHBondContact O-N 3.3Å
177Y89.5Confident88.2Confident84 Ų8485.5 Ų85.533%0.32944%0.443SS..Hα-helixtrans-66.4-31.6177.1-73.3-61.5000113L163 Y167 M173 L175 A181L163-Y177 VanDerWaalsContact CD1-CB 3.41Å; L163-Y177 HydrophobicContact CD1-CD2 4.13Å; L163-Y177 HydrophobicContact CD1-CG 3.82Å; Y167-Y177 HydrophobicContact CD2-CE2 4.38Å; Y167-Y177 HydrophobicContact CE1-CE2 4.15Å; Y167-Y177 HydrophobicContact CE2-CD2 4.37Å; Y167-Y177 AromaticContact CE2-CE2 3.9Å; Y167-Y177 HydrophobicContact CE2-CE2 3.9Å; Y167-Y177 AromaticContact CZ-CE2 3.76Å; M173-Y177 HydrophobicContact CB-CE2 4.39Å; M173-Y177 WeakPolarHBondContact O-CD2 3.41Å; M173-Y177 PolarHBondContact O-N 3.48Å; L175-Y177 PolarHBondContact O-N 3.02Å; Y177-A181 VanDerWaalsContact O-CB 3.25Å; Y177-A181 WeakPolarHBondContact O-CB 3.5Å; Y177-A181 PolarHBondContact O-N 3.12Å
178T90.7Very high88.7Confident10 Ų1084.9 Ų84.96%0.06145%0.445CS..Hα-helixtrans-66.2-46.5174.4-56.20000110.8I156 W160 L174 L175 Y176 A181 I182I156-T178 HydrophobicContact CG1-CG2 4.44Å; I156-T178 HydrophobicContact CG2-CG2 4Å; W160-T178 VanDerWaalsContact CD1-OG1 3.31Å; W160-T178 PolarHBondContact NE1-OG1 3.46Å; L174-T178 WeakPolarHBondContact O-CB 3.35Å; L174-T178 PolarHBondContact O-N 2.95Å; L174-T178 PolarHBondContact O-OG1 3.13Å; L175-T178 WeakPolarHBondContact O-CB 3.47Å; L175-T178 PolarHBondContact O-N 2.84Å; L175-T178 VanDerWaalsContact O-N 3.13Å; Y176-T178 VanDerWaalsContact C-N 3.29Å; Y176-T178 PolarHBondContact O-N 3.05Å; T178-A181 PolarHBondContact O-N 3.13Å; T178-I182 HydrophobicContact CG2-CD1 4.26Å; T178-I182 WeakPolarHBondContact O-CG1 3.35Å; T178-I182 PolarHBondContact O-N 3Å
179A92.7Very high89.4Confident48 Ų4883 Ų8340%0.39743%0.43SS..Hα-helixtrans-61.2-46.4175.400000111.2L175 Y176 A181 I182 C183L175-A179 PolarHBondContact O-N 2.89Å; Y176-A179 PolarHBondContact O-N 3.48Å; A179-A181 VanDerWaalsContact C-N 3.3Å; A179-A181 PolarHBondContact O-N 3.22Å; A179-I182 PolarHBondContact O-N 3.25Å; A179-I182 VanDerWaalsContact O-N 3.14Å; A179-C183 PolarHBondContact O-N 3.4Å; A179-C183 PolarHBondContact O-SG 3.21Å; A179-C183 VanDerWaalsContact O-SG 3.35Å
180A92Very high89.9Confident35 Ų3578.1 Ų78.129%0.28942%0.415SS..Hα-helixtrans-57.7-42.817500000111.9Y176 I182 C183 I184Y176-A180 WeakPolarHBondContact O-CB 3.49Å; Y176-A180 PolarHBondContact O-N 3.3Å; A180-I182 PolarHBondContact O-N 3.01Å; A180-C183 PolarHBondContact O-N 3.16Å; A180-I184 WeakPolarHBondContact O-CD1 3.3Å; A180-I184 VanDerWaalsContact O-CG1 3.26Å; A180-I184 WeakPolarHBondContact O-CG1 3.44Å; A180-I184 PolarHBondContact O-N 2.88Å; A180-I184 VanDerWaalsContact O-N 3.15Å
181A89.9Confident90.1Very high11 Ų1171.1 Ų71.19%0.09139%0.391CS..Hα-helixtrans-64.5-38.9177.500000112.2Y155 V159 Y177 T178 A179 I184 I185Y155-A181 HydrophobicContact CE1-CB 3.83Å; Y155-A181 WeakPolarHBondContact CE1-O 3.29Å; V159-A181 HydrophobicContact CG1-CB 4.29Å; V159-A181 HydrophobicContact CG2-CB 3.62Å; Y177-A181 VanDerWaalsContact O-CB 3.25Å; Y177-A181 WeakPolarHBondContact O-CB 3.5Å; Y177-A181 PolarHBondContact O-N 3.12Å; T178-A181 PolarHBondContact O-N 3.13Å; A179-A181 VanDerWaalsContact C-N 3.3Å; A179-A181 PolarHBondContact O-N 3.22Å; A181-I184 PolarHBondContact O-N 3.12Å; A181-I185 PolarHBondContact O-N 3.33Å
182I91.6Very high90.5Very high73 Ų7367.8 Ų67.837%0.37437%0.367SS..Hα-helixtrans-62.5-44.3174.4-67.9166.2000110.5I156 T178 A179 A180 I184 I185I156-I182 HydrophobicContact CD1-CD1 4.24Å; I156-I182 HydrophobicContact CG1-CD1 4.38Å; I156-I182 HydrophobicContact CG1-CG1 4.42Å; T178-I182 HydrophobicContact CG2-CD1 4.26Å; T178-I182 WeakPolarHBondContact O-CG1 3.35Å; T178-I182 PolarHBondContact O-N 3Å; A179-I182 PolarHBondContact O-N 3.25Å; A179-I182 VanDerWaalsContact O-N 3.14Å; A180-I182 PolarHBondContact O-N 3.01Å; I182-I184 PolarHBondContact O-N 3.46Å; I182-I185 WeakPolarHBondContact O-CB 3.44Å; I182-I185 WeakPolarHBondContact O-CG1 3.46Å; I182-I185 PolarHBondContact O-N 3.38Å
183C91.9Very high90.6Very high100 Ų10062.9 Ų62.968%0.67634%0.342SS*.Hα-helixtrans-62.4-23.7176.6-65.60000113.5A179 A180 P186A179-C183 PolarHBondContact O-N 3.4Å; A179-C183 PolarHBondContact O-SG 3.21Å; A179-C183 VanDerWaalsContact O-SG 3.35Å; A180-C183 PolarHBondContact O-N 3.16Å; C183-P186 WeakPolarHBondContact O-CD 2.78Å
184I91.2Very high90.9Very high81 Ų8162.4 Ų62.442%0.41534%0.343SS..Hα-helixtrans-82.2-15.8177.1-65.3163.1000111.9A180 A181 I182 F187 N188A180-I184 WeakPolarHBondContact O-CD1 3.3Å; A180-I184 VanDerWaalsContact O-CG1 3.26Å; A180-I184 WeakPolarHBondContact O-CG1 3.44Å; A180-I184 PolarHBondContact O-N 2.88Å; A180-I184 VanDerWaalsContact O-N 3.15Å; A181-I184 PolarHBondContact O-N 3.12Å; I182-I184 PolarHBondContact O-N 3.46Å; I184-F187 HydrophobicContact CG2-CD1 4.48Å; I184-F187 WeakPolarHBondContact O-CB 3.33Å; I184-F187 PolarHBondContact O-N 2.64Å; I184-F187 VanDerWaalsContact O-N 3.17Å; I184-N188 PolarHBondContact O-N 3.04Å
185I89.5Confident91.1Very high45 Ų4561 Ų6123%0.23134%0.336CS..Hα-helixtrans-56.2-48.8-178.4-64.8172.8000112.4L152 Y155 A181 I182 F187 N188 V189L152-I185 HydrophobicContact CD1-CD1 3.49Å; L152-I185 VanDerWaalsContact CD1-CD1 3.49Å; Y155-I185 HydrophobicContact CD1-CD1 3.86Å; Y155-I185 HydrophobicContact CD1-CG1 4Å; Y155-I185 HydrophobicContact CE1-CD1 4.18Å; Y155-I185 HydrophobicContact CE1-CG1 3.83Å; Y155-I185 HydrophobicContact CG-CD1 4.34Å; Y155-I185 HydrophobicContact CG-CG1 4.5Å; A181-I185 PolarHBondContact O-N 3.33Å; I182-I185 WeakPolarHBondContact O-CB 3.44Å; I182-I185 WeakPolarHBondContact O-CG1 3.46Å; I182-I185 PolarHBondContact O-N 3.38Å; I185-F187 VanDerWaalsContact C-N 3.3Å; I185-F187 PolarHBondContact O-N 3.13Å; I185-N188 WeakPolarHBondContact O-CB 3.26Å; I185-N188 PolarHBondContact O-N 3.08Å; I185-N188 VanDerWaalsContact O-N 3.12Å; I185-V189 HydrophobicContact CG2-CG2 4.47Å; I185-V189 WeakPolarHBondContact O-CG2 3.47Å; I185-V189 PolarHBondContact O-N 3.48Å
186P89.7Confident91.2Very high83 Ų8355.1 Ų55.154%0.53931%0.305SS..Hα-helixtrans-58.4-41.2177.4-24.334.9000112.8C183 N188 V189 C190C183-P186 WeakPolarHBondContact O-CD 2.78Å; P186-N188 PolarHBondContact O-N 2.95Å; P186-V189 WeakPolarHBondContact O-CB 3.19Å; P186-V189 PolarHBondContact O-N 2.96Å; P186-V189 VanDerWaalsContact O-N 3.16Å; P186-C190 PolarHBondContact O-N 3.21Å; P186-C190 PolarHBondContact O-SG 3.24Å; P186-C190 VanDerWaalsContact O-SG 3.4Å
187F91.3Very high91.3Very high102 Ų10250.8 Ų50.845%0.44730%0.295SS..Hα-helixtrans-62.8-41.3175.5177.3-96.6000112.1L78 I184 I185 V189 C190 T191L78-F187 HydrophobicContact CD1-CZ 3.98Å; L78-F187 HydrophobicContact CD2-CE1 3.97Å; L78-F187 HydrophobicContact CD2-CZ 3.95Å; I184-F187 HydrophobicContact CG2-CD1 4.48Å; I184-F187 WeakPolarHBondContact O-CB 3.33Å; I184-F187 PolarHBondContact O-N 2.64Å; I184-F187 VanDerWaalsContact O-N 3.17Å; I185-F187 VanDerWaalsContact C-N 3.3Å; I185-F187 PolarHBondContact O-N 3.13Å; F187-V189 VanDerWaalsContact C-N 3.3Å; F187-V189 PolarHBondContact O-N 3.34Å; F187-C190 PolarHBondContact O-N 2.94Å; F187-T191 HydrophobicContact CD1-CG2 4.25Å; F187-T191 HydrophobicContact CE1-CG2 3.75Å; F187-T191 HydrophobicContact CE2-CG2 4.19Å; F187-T191 HydrophobicContact CZ-CG2 3.72Å; F187-T191 WeakPolarHBondContact O-CG2 3.08Å; F187-T191 PolarHBondContact O-N 2.83Å; F187-T191 PolarHBondContact O-OG1 2.84Å; F187-T191 VanDerWaalsContact O-OG1 3.11Å
188N89.9Confident91.4Very high53 Ų5349.8 Ų49.828%0.28330%0.295SS..Hα-helixtrans-62.4-36.7173.8-76.7-27.9000112.1Y155 I184 I185 P186 T191 E192Y155-N188 PolarHBondContact OH-ND2 2.91Å; I184-N188 PolarHBondContact O-N 3.04Å; I185-N188 WeakPolarHBondContact O-CB 3.26Å; I185-N188 PolarHBondContact O-N 3.08Å; I185-N188 VanDerWaalsContact O-N 3.12Å; P186-N188 PolarHBondContact O-N 2.95Å; N188-T191 WeakPolarHBondContact CA-OG1 3.32Å; N188-T191 PolarHBondContact O-OG1 3.02Å; N188-E192 WeakPolarHBondContact O-CB 3.3Å; N188-E192 PolarHBondContact O-N 3.23Å
189V89.6Confident91.3Very high51 Ų5149.4 Ų49.431%0.30929%0.293SS..Hα-helixtrans-65.6-47175.7173.20000110.4T123 I185 P186 F187 T191 E192 I193T123-V189 HydrophobicContact CG2-CG1 4.19Å; I185-V189 HydrophobicContact CG2-CG2 4.47Å; I185-V189 WeakPolarHBondContact O-CG2 3.47Å; I185-V189 PolarHBondContact O-N 3.48Å; P186-V189 WeakPolarHBondContact O-CB 3.19Å; P186-V189 PolarHBondContact O-N 2.96Å; P186-V189 VanDerWaalsContact O-N 3.16Å; F187-V189 VanDerWaalsContact C-N 3.3Å; F187-V189 PolarHBondContact O-N 3.34Å; V189-T191 PolarHBondContact O-N 2.97Å; V189-E192 PolarHBondContact O-N 3.41Å; V189-I193 HydrophobicContact CG1-CD1 3.93Å; V189-I193 WeakPolarHBondContact O-CG1 3.12Å; V189-I193 PolarHBondContact O-N 2.65Å
190C91.3Very high91.1Very high77 Ų7750.8 Ų50.852%0.5229%0.293SS..Hα-helixtrans-59.1-45.8176.9-66.10000112.4P186 F187 E192 I193 V194P186-C190 PolarHBondContact O-N 3.21Å; P186-C190 PolarHBondContact O-SG 3.24Å; P186-C190 VanDerWaalsContact O-SG 3.4Å; F187-C190 PolarHBondContact O-N 2.94Å; C190-E192 VanDerWaalsContact C-N 3.34Å; C190-E192 PolarHBondContact O-N 3.47Å; C190-I193 PolarHBondContact O-N 2.9Å; C190-V194 WeakPolarHBondContact O-CG2 3.19Å; C190-V194 PolarHBondContact O-N 2.87Å
191T91.9Very high90.9Very high17 Ų1755.9 Ų55.910%0.10432%0.315CS..Hα-helixtrans-65.7-36.2178.252.90000112.1L82 F187 N188 V189 V194 A195L82-T191 WeakPolarHBondContact CD2-O 3.43Å; F187-T191 HydrophobicContact CD1-CG2 4.25Å; F187-T191 HydrophobicContact CE1-CG2 3.75Å; F187-T191 HydrophobicContact CE2-CG2 4.19Å; F187-T191 HydrophobicContact CZ-CG2 3.72Å; F187-T191 WeakPolarHBondContact O-CG2 3.08Å; F187-T191 PolarHBondContact O-N 2.83Å; F187-T191 PolarHBondContact O-OG1 2.84Å; F187-T191 VanDerWaalsContact O-OG1 3.11Å; N188-T191 WeakPolarHBondContact CA-OG1 3.32Å; N188-T191 PolarHBondContact O-OG1 3.02Å; V189-T191 PolarHBondContact O-N 2.97Å; T191-V194 PolarHBondContact O-N 3.17Å; T191-A195 WeakPolarHBondContact O-CB 3.39Å; T191-A195 PolarHBondContact O-N 2.99Å
192E91.1Very high90.7Very high24 Ų2456.2 Ų56.211%0.11232%0.319CS..Hα-helixtrans-67.7-38.3175-162.285175.800111.5R85 W116 L119 N188 V189 C190 A195 V196R85-E192 IonicContact CZ-OE1 3.4Å; R85-E192 IonicContact CZ-OE2 3.98Å; R85-E192 IonicContact NE-OE2 3.87Å; R85-E192 VanDerWaalsContact NH1-CD 3.27Å; R85-E192 IonicContact NH1-OE1 2.76Å; R85-E192 PolarHBondContact NH1-OE1 3.48Å; R85-E192 IonicContact NH1-OE2 3.84Å; R85-E192 PolarHBondContact NH1-OE2 2.83Å; R85-E192 IonicContact NH2-OE2 2.75Å; W116-E192 WeakPolarHBondContact CZ2-OE1 3.43Å; W116-E192 PolarHBondContact NE1-OE1 2.87Å; L119-E192 HydrophobicContact CD2-CB 4.06Å; L119-E192 HydrophobicContact CD2-CG 3.74Å; N188-E192 WeakPolarHBondContact O-CB 3.3Å; N188-E192 PolarHBondContact O-N 3.23Å; V189-E192 PolarHBondContact O-N 3.41Å; C190-E192 VanDerWaalsContact C-N 3.34Å; C190-E192 PolarHBondContact O-N 3.47Å; E192-A195 WeakPolarHBondContact O-CB 3.31Å; E192-A195 PolarHBondContact O-N 2.87Å; E192-V196 WeakPolarHBondContact O-CG2 3.49Å; E192-V196 PolarHBondContact O-N 3.1Å
193I92.1Very high90.2Very high38 Ų3862 Ų6220%0.19534%0.336CS..Hα-helixtrans-60.8-48.6173.9-71166.8000110.6L119 P120 T123 V189 C190 A195 V196 V197L119-I193 HydrophobicContact CD2-CG1 4.42Å; L119-I193 HydrophobicContact CG-CG1 4.37Å; P120-I193 HydrophobicContact CB-CG2 4.05Å; P120-I193 HydrophobicContact CG-CG2 4.13Å; T123-I193 HydrophobicContact CG2-CD1 3.82Å; V189-I193 HydrophobicContact CG1-CD1 3.93Å; V189-I193 WeakPolarHBondContact O-CG1 3.12Å; V189-I193 PolarHBondContact O-N 2.65Å; C190-I193 PolarHBondContact O-N 2.9Å; I193-A195 VanDerWaalsContact C-N 3.28Å; I193-A195 PolarHBondContact O-N 3.17Å; I193-V196 PolarHBondContact O-N 2.96Å; I193-V196 VanDerWaalsContact O-N 3.14Å; I193-V197 WeakPolarHBondContact O-CG2 3.37Å; I193-V197 PolarHBondContact O-N 3.15Å
194V93Very high89.6Confident70 Ų7060.2 Ų60.242%0.42432%0.317SS..Hα-helixtrans-58.1-44176.2173.10000110.4L82 C190 T191 V196 V197 L198L82-V194 HydrophobicContact CD1-CG1 4.14Å; L82-V194 HydrophobicContact CD2-CB 4.31Å; L82-V194 HydrophobicContact CD2-CG1 4.15Å; C190-V194 WeakPolarHBondContact O-CG2 3.19Å; C190-V194 PolarHBondContact O-N 2.87Å; T191-V194 PolarHBondContact O-N 3.17Å; V194-V196 VanDerWaalsContact C-N 3.34Å; V194-V196 PolarHBondContact O-N 2.91Å; V194-V197 PolarHBondContact O-N 3.4Å; V194-L198 HydrophobicContact CG1-CD1 3.8Å; V194-L198 HydrophobicContact CG1-CG 4.26Å; V194-L198 WeakPolarHBondContact O-CB 3.42Å; V194-L198 VanDerWaalsContact O-CG 3.25Å; V194-L198 WeakPolarHBondContact O-CG 3.45Å; V194-L198 PolarHBondContact O-N 3.03Å
195A92.4Very high88.7Confident1 Ų163.3 Ų63.31%0.00833%0.334CS..Hα-helixtrans-61.9-39.8176.700000113L82 R85 T191 E192 I193 G199L82-A195 HydrophobicContact CD2-CB 3.82Å; R85-A195 HydrophobicContact CB-CB 3.58Å; R85-A195 HydrophobicContact CG-CB 4.36Å; T191-A195 WeakPolarHBondContact O-CB 3.39Å; T191-A195 PolarHBondContact O-N 2.99Å; E192-A195 WeakPolarHBondContact O-CB 3.31Å; E192-A195 PolarHBondContact O-N 2.87Å; I193-A195 VanDerWaalsContact C-N 3.28Å; I193-A195 PolarHBondContact O-N 3.17Å; A195-G199 PolarHBondContact O-N 3.13Å
196V93Very high87.9Confident0 Ų067.4 Ų67.40%035%0.353CS..Hα-helixtrans-64-48.5176.8170.40000110.5L89 P120 E192 I193 V194 L198 G199 L200L89-V196 HydrophobicContact CD2-CG1 4.34Å; P120-V196 HydrophobicContact CG-CB 4.18Å; P120-V196 HydrophobicContact CG-CG1 3.81Å; E192-V196 WeakPolarHBondContact O-CG2 3.49Å; E192-V196 PolarHBondContact O-N 3.1Å; I193-V196 PolarHBondContact O-N 2.96Å; I193-V196 VanDerWaalsContact O-N 3.14Å; V194-V196 VanDerWaalsContact C-N 3.34Å; V194-V196 PolarHBondContact O-N 2.91Å; V196-L198 PolarHBondContact O-N 3.37Å; V196-G199 PolarHBondContact O-N 2.93Å; V196-G199 VanDerWaalsContact O-N 3.15Å; V196-L200 HydrophobicContact CG1-CD1 3.89Å; V196-L200 HydrophobicContact CG1-CG 4.33Å; V196-L200 WeakPolarHBondContact O-CG 3.24Å; V196-L200 PolarHBondContact O-N 3.36Å
197V92.5Very high87Confident64 Ų6468.1 Ų68.139%0.38835%0.347SS..Hα-helixtrans-60-46.9177.9176.50000110.9P120 I193 V194 G199 L200 L201P120-V197 HydrophobicContact CG-CG2 4.44Å; I193-V197 WeakPolarHBondContact O-CG2 3.37Å; I193-V197 PolarHBondContact O-N 3.15Å; V194-V197 PolarHBondContact O-N 3.4Å; V197-G199 VanDerWaalsContact C-N 3.29Å; V197-G199 PolarHBondContact O-N 3.23Å; V197-L200 PolarHBondContact O-N 3.13Å; V197-L201 HydrophobicContact CG1-CD1 3.69Å; V197-L201 HydrophobicContact CG1-CG 4.33Å; V197-L201 WeakPolarHBondContact O-CB 3.44Å; V197-L201 WeakPolarHBondContact O-CG 3.45Å; V197-L201 PolarHBondContact O-N 2.84Å
198L91.2Very high86.1Confident62 Ų6267.8 Ų67.833%0.32534%0.344SS..Hα-helixtrans-63.5-32.9176.6-70.1175.3000113.1L82 V194 V196 G202L82-L198 HydrophobicContact CD1-CD1 4.41Å; V194-L198 HydrophobicContact CG1-CD1 3.8Å; V194-L198 HydrophobicContact CG1-CG 4.26Å; V194-L198 WeakPolarHBondContact O-CB 3.42Å; V194-L198 VanDerWaalsContact O-CG 3.25Å; V194-L198 WeakPolarHBondContact O-CG 3.45Å; V194-L198 PolarHBondContact O-N 3.03Å; V196-L198 PolarHBondContact O-N 3.37Å; L198-G202 VanDerWaalsContact O-CA 3.3Å; L198-G202 WeakPolarHBondContact O-CA 3.48Å; L198-G202 PolarHBondContact O-N 2.74Å
199G88.9Confident85.3Confident2 Ų269.9 Ų69.92%0.02136%0.358CS..Hα-helixtrans-70.4-4217600000113.3Q90 A195 V196 V197Q90-G199 WeakPolarHBondContact CG-O 3.32Å; Q90-G199 PolarHBondContact NE2-O 3.36Å; A195-G199 PolarHBondContact O-N 3.13Å; V196-G199 PolarHBondContact O-N 2.93Å; V196-G199 VanDerWaalsContact O-N 3.15Å; V197-G199 VanDerWaalsContact C-N 3.29Å; V197-G199 PolarHBondContact O-N 3.23Å
200L89.5Confident84.5Confident77 Ų7768.1 Ų68.140%0.40335%0.348SS..Hα-helixtrans-70.6-45.3179.1-67.3175.6000111.8L89 V196 V197 K204L89-L200 HydrophobicContact CD2-CD2 4.22Å; L89-L200 HydrophobicContact CD2-CG 4.11Å; V196-L200 HydrophobicContact CG1-CD1 3.89Å; V196-L200 HydrophobicContact CG1-CG 4.33Å; V196-L200 WeakPolarHBondContact O-CG 3.24Å; V196-L200 PolarHBondContact O-N 3.36Å; V197-L200 PolarHBondContact O-N 3.13Å; L200-K204 PolarHBondContact O-NZ 2.93Å
201L88.4Confident83.5Confident143 Ų14373.4 Ų73.475%0.74936%0.357SS*.Hα-helixtrans-79.3-24.5-179.6-62.3179.3000113.5V197V197-L201 HydrophobicContact CG1-CD1 3.69Å; V197-L201 HydrophobicContact CG1-CG 4.33Å; V197-L201 WeakPolarHBondContact O-CB 3.44Å; V197-L201 WeakPolarHBondContact O-CG 3.45Å; V197-L201 PolarHBondContact O-N 2.84Å
202G84.1Confident82.4Confident17 Ų1777.1 Ų77.118%0.17537%0.371CS..SBendtrans-70.5153.2-17700000113.8Q90 L198 K204Q90-G202 PolarHBondContact NE2-O 2.98Å; L198-G202 VanDerWaalsContact O-CA 3.3Å; L198-G202 WeakPolarHBondContact O-CA 3.48Å; L198-G202 PolarHBondContact O-N 2.74Å; G202-K204 PolarHBondContact O-N 3.48Å
203R82Confident81.3Confident195 Ų19580.9 Ų80.974%0.73639%0.392SS*.  trans-57.9130.7168.7-65.6-178-177.7177.10109.8Q90Q90-R203 PolarHBondContact NE2-O 3.25Å
204K78.7Confident79.8Confident63 Ų6382.8 Ų82.827%0.27441%0.407SS..THydrogen-bonded Turntrans-91.83.4-173.4-60.6179176.565.90114.1I46 Q90 Y93 L200 G202I46-K204 WeakPolarHBondContact CD1-O 3.28Å; Q90-K204 HydrophobicContact CG-CG 4.37Å; Y93-K204 HydrophobicContact CD1-CD 3.68Å; Y93-K204 HydrophobicContact CE1-CD 3.6Å; L200-K204 PolarHBondContact O-NZ 2.93Å; G202-K204 PolarHBondContact O-N 3.48Å
205N72.7Confident78.2Confident146 Ų14686.2 Ų86.278%0.78142%0.422SS*.THydrogen-bonded Turntrans-1080.9-174.9-62.8-8.5000113.3
206Q72.5Confident76.3Confident131 Ų13193.8 Ų93.861%0.61245%0.452SS*.  trans-124.8139.4-178.2-68.9178.6-18.400108.8
207F70.9Confident74.4Confident98 Ų98102.2 Ų102.243%0.4349%0.491SS..  trans-130145.817564.8-94.7000110.7I46 R87 V209I46-F207 HydrophobicContact CG1-CD1 4.31Å; R87-F207 HydrophobicContact CG-CB 4.18Å; F207-V209 HydrophobicContact CD2-CG2 3.72Å; F207-V209 HydrophobicContact CE2-CG2 3.54Å
208Y73.1Confident72.4Confident94 Ų94106.3 Ų106.337%0.36951%0.509SS..  trans-100.9130.6172.5-179.9-101.6000109D80 Q83 V210D80-Y208 WeakPolarHBondContact OD1-CE1 3.28Å; Q83-Y208 HydrophobicContact CB-CD1 4Å; Q83-Y208 VanDerWaalsContact CD-CD1 3.48Å; Q83-Y208 HydrophobicContact CG-CD1 4.4Å; Y208-V210 HydrophobicContact CD1-CG2 4.08Å; Y208-V210 HydrophobicContact CE1-CB 4.41Å; Y208-V210 HydrophobicContact CE1-CG2 4Å
209V73.4Confident70.1Confident97 Ų97111.9 Ų111.959%0.58855%0.546SS*.  trans-98.2114.6171.3-176.70000107.6F207 R211F207-V209 HydrophobicContact CD2-CG2 3.72Å; F207-V209 HydrophobicContact CE2-CG2 3.54Å; V209-R211 PolarHBondContact O-N 3.46Å
210V71.6Confident69.2Low15 Ų15117.4 Ų117.49%0.09157%0.572CS.*  trans-62.2120.9174.8179.30000108.6D80 Q84 Y208 K212D80-V210 HydrophobicContact CB-CG1 3.92Å; D80-V210 HydrophobicContact CB-CG2 3.88Å; Q84-V210 HydrophobicContact CB-CG2 4.45Å; Y208-V210 HydrophobicContact CD1-CG2 4.08Å; Y208-V210 HydrophobicContact CE1-CB 4.41Å; Y208-V210 HydrophobicContact CE1-CG2 4Å; V210-K212 PolarHBondContact O-N 3.35Å
211R71.7Confident68.1Low187 Ų187119.5 Ų119.571%0.70658%0.581SS**  trans-70.1116.2174.5-63.7-175-179-175.6-0.2108.7V209V209-R211 PolarHBondContact O-N 3.46Å
212K68.6Low67Low95 Ų95118.2 Ų118.241%0.41357%0.571SS.*  trans-102-8.6-179.7-65.8179.6-176.3176.10113.4K73 V210K73-K212 PolarHBondContact NZ-O 3.37Å; V210-K212 PolarHBondContact O-N 3.35Å
213D67.9Low66Low104 Ų104124.1 Ų124.156%0.55660%0.595SS**  trans-88.2123.1-176.6-63-37.5000110.6L215 Y216D213-L215 PolarHBondContact O-N 2.98Å; D213-Y216 HydrophobicContact CB-CD2 4.5Å
214P60Low65Low77 Ų77119.7 Ų119.750%0.559%0.586SS.*G310 helixtrans-69.2-23.8176.527-32.4000112.6Y216 Q217P214-Y216 PolarHBondContact O-N 2.81Å; P214-Y216 VanDerWaalsContact O-N 3.13Å; P214-Q217 PolarHBondContact O-N 2.71Å
215L58.3Low64Low143 Ų143123.5 Ų123.575%0.74961%0.607SS**G310 helixtrans-60.1-24.1-177.3-81.8158.9000113.9D213D213-L215 PolarHBondContact O-N 2.98Å
216Y54.5Low63.4Low159 Ų159121.9 Ų121.962%0.62459%0.594SS**G310 helixtrans-88.90.3177.9-84.9-81.2000114.6D213 P214D213-Y216 HydrophobicContact CB-CD2 4.5Å; P214-Y216 PolarHBondContact O-N 2.81Å; P214-Y216 VanDerWaalsContact O-N 3.13Å
217Q52.6Low62.7Low177 Ų177121.2 Ų121.283%0.82759%0.593SS**G310 helixtrans-91.6-6.5172.6-70.4-167.2-33.900113P214P214-Q217 PolarHBondContact O-N 2.71Å
218I49.3Very low62Low150 Ų150123.1 Ų123.177%0.76961%0.606SS**  trans-113.713.1-176.3-33.4179.4000111.4
219V43.8Very low61Low179 Ų179125.7 Ų125.7100%1.08563%0.628SS**  trans-1250169.2-172.20000107.7

Retrieved 219 of 219 residues in 705.2 ms (Link to these results)

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