A0A077Z9T8_TRITR Loading...

Serine/threonine-protein phosphatase

Probable phosphatase which plays a redundant role with gsp-4 in spermatogenesis by regulating sister chromatid segregation during meiosis. In addition, involved in sperm motility by controlling the dynamic disassembly of major sperm proteins (MSP) in the spermatozoan pseudopodium.

AlphaFold DB , UniProt , Accession A0A077Z9T8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 321 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M31.7Very low63.7Low244 Ų244104 Ų104100%1.20258%0.58SS**  092.50-59.9-175.6-152.500107.9
2S40.9Very low65.8Low110 Ų110104.6 Ų104.677%0.76959%0.592SS**  trans-78.4120149.1103.60000102.8N4S2-N4 PolarHBondContact O-N 3.09Å; S2-N4 VanDerWaalsContact O-N 3.16Å
3A46.5Very low67.6Low86 Ų86102.5 Ų102.571%0.71160%0.596SS**  trans-53.3126.2166.800000105.9A5A3-A5 VanDerWaalsContact C-N 3.31Å; A3-A5 PolarHBondContact O-N 3.25Å
4N50Low69.5Low89 Ų89100.6 Ų100.648%0.47658%0.579SS.*  trans-52.3104.7168.2-80.2-19.9000105.6S2 T6S2-N4 PolarHBondContact O-N 3.09Å; S2-N4 VanDerWaalsContact O-N 3.16Å; N4-T6 VanDerWaalsContact C-N 3.35Å; N4-T6 PolarHBondContact O-N 2.77Å
5A59.8Low71.2Confident52 Ų5297.2 Ų97.243%0.4356%0.556SS.*  trans-70.1101.9-178.900000106.1A3 T53A3-A5 VanDerWaalsContact C-N 3.31Å; A3-A5 PolarHBondContact O-N 3.25Å; A5-T53 WeakPolarHBondContact CB-O 3.31Å; A5-T53 CarbonylContact O-C 3.52Å; A5-T53 VanDerWaalsContact O-C 3.24Å
6T64Low72.8Confident84 Ų8497.5 Ų97.552%0.51556%0.56SS.*PPolyproline II helixtrans-64133.2-178.8-44.70000109.2N4 L8 Y121N4-T6 VanDerWaalsContact C-N 3.35Å; N4-T6 PolarHBondContact O-N 2.77Å; T6-L8 PolarHBondContact O-N 2.69Å; T6-Y121 HydrophobicContact CG2-CD1 4.36Å; T6-Y121 HydrophobicContact CG2-CE1 3.24Å; T6-Y121 VanDerWaalsContact CG2-OH 3.23Å; T6-Y121 WeakPolarHBondContact CG2-OH 3.41Å
7P69.2Low74.2Confident10 Ų1095.3 Ų95.37%0.06554%0.542CS..PPolyproline II helixtrans-51.1137.6176.2-31.738.4000112.5Q54 P120 Y121P7-Q54 HydrophobicContact CG-CG 3.35Å; P7-P120 HydrophobicContact CB-CB 3.63Å; P7-P120 HydrophobicContact CB-CG 4.44Å; P7-Y121 VanDerWaalsContact O-CE2 3.24Å; P7-Y121 WeakPolarHBondContact O-CE2 3.2Å; P7-Y121 PolarHBondContact O-OH 3.25Å
8L77.9Confident75.5Confident135 Ų13590.4 Ų90.471%0.70751%0.514SS*.PPolyproline II helixtrans-80.5131.9177.4-63.8172.5000109.7T6T6-L8 PolarHBondContact O-N 2.69Å
9K86Confident76.7Confident161 Ų16187.1 Ų87.170%0.750%0.499SS*.PPolyproline II helixtrans-60.6139.8167.2-67.9-168.3177.3-175.90108.2Y121K9-Y121 HydrophobicContact CD-CE2 4.46Å; K9-Y121 HydrophobicContact CG-CD2 4.02Å; K9-Y121 HydrophobicContact CG-CE2 3.54Å
10P86.4Confident77.8Confident27 Ų2786 Ų8618%0.17550%0.496CS..PPolyproline II helixtrans-60.1144.9176.926.4-34.5000109.9E14 E15 L117P10-E14 HydrophobicContact CB-CB 3.9Å; P10-E15 HydrophobicContact CB-CB 4.4Å; P10-E15 HydrophobicContact CG-CB 4.15Å; P10-L117 WeakPolarHBondContact CD-O 3.3Å; P10-L117 WeakPolarHBondContact CG-O 3.38Å
11K88.8Confident78.7Confident146 Ų14683.5 Ų83.564%0.63548%0.479SS*.PPolyproline II helixtrans-63.4155.6168.6-65.7173.9-175.6168.20109A13 E14 E15K11-A13 PolarHBondContact O-N 3.14Å; K11-A13 VanDerWaalsContact O-N 3.07Å; K11-E14 HydrophobicContact CB-CG 4.38Å; K11-E14 WeakPolarHBondContact CB-OE2 3.44Å; K11-E14 PolarHBondContact N-OE2 3.02Å; K11-E14 WeakPolarHBondContact O-CA 3.46Å; K11-E14 WeakPolarHBondContact O-CB 3.12Å; K11-E14 PolarHBondContact O-N 2.9Å; K11-E15 PolarHBondContact O-N 3.44Å
12P88.4Confident81.9Confident111 Ų11172.7 Ų72.772%0.72143%0.426SS*.Hα-helixtrans-51.8-38.3-178.4-29.835.7000114.7E15 T16P12-E15 PolarHBondContact O-N 2.74Å; P12-T16 PolarHBondContact O-N 2.69Å; P12-T16 VanDerWaalsContact O-N 3.08Å; P12-T16 PolarHBondContact O-OG1 2.91Å; P12-T16 VanDerWaalsContact O-OG1 3.07Å
13A89.3Confident84.6Confident78 Ų7874 Ų7465%0.64542%0.42SS*.Hα-helixtrans-68.9-35.7176.900000113.3K11 K17K11-A13 PolarHBondContact O-N 3.14Å; K11-A13 VanDerWaalsContact O-N 3.07Å; A13-K17 PolarHBondContact O-N 3.08Å
14E93.8Very high87Confident76 Ų7672.5 Ų72.536%0.35540%0.397SS..Hα-helixtrans-68.9-44.3175.2-67169.5147.700110.1P10 K11 T16 K17 W18P10-E14 HydrophobicContact CB-CB 3.9Å; K11-E14 HydrophobicContact CB-CG 4.38Å; K11-E14 WeakPolarHBondContact CB-OE2 3.44Å; K11-E14 PolarHBondContact N-OE2 3.02Å; K11-E14 WeakPolarHBondContact O-CA 3.46Å; K11-E14 WeakPolarHBondContact O-CB 3.12Å; K11-E14 PolarHBondContact O-N 2.9Å; E14-T16 PolarHBondContact O-N 3.45Å; E14-K17 WeakPolarHBondContact O-CB 3.41Å; E14-K17 PolarHBondContact O-N 3.39Å; E14-K17 VanDerWaalsContact O-N 3.14Å; E14-W18 PolarHBondContact O-N 2.92Å
15E95.2Very high89.3Confident49 Ų4968.2 Ų68.223%0.22937%0.374CS..Hα-helixtrans-58.2-47.3176.617755.3-154.800112P10 K11 P12 K17 W18 A19 R118P10-E15 HydrophobicContact CB-CB 4.4Å; P10-E15 HydrophobicContact CG-CB 4.15Å; K11-E15 PolarHBondContact O-N 3.44Å; P12-E15 PolarHBondContact O-N 2.74Å; E15-K17 VanDerWaalsContact C-N 3.27Å; E15-K17 PolarHBondContact O-N 3.3Å; E15-W18 PolarHBondContact O-N 3.18Å; E15-A19 VanDerWaalsContact O-CB 3.31Å; E15-A19 WeakPolarHBondContact O-CB 3.34Å; E15-A19 PolarHBondContact O-N 3.22Å; E15-R118 IonicContact OE1-CZ 3.5Å; E15-R118 VanDerWaalsContact OE1-CZ 3.29Å; E15-R118 IonicContact OE1-NE 3.29Å; E15-R118 PolarHBondContact OE1-NE 2.85Å; E15-R118 IonicContact OE1-NH2 2.83Å; E15-R118 PolarHBondContact OE1-NH2 3.5Å; E15-R118 WeakPolarHBondContact OE2-CA 3.34Å; E15-R118 WeakPolarHBondContact OE2-CB 3.35Å; E15-R118 WeakPolarHBondContact OE2-CG 3.39Å; E15-R118 IonicContact OE2-NE 3.33Å
16T96.1Very high91Very high102 Ų10267.6 Ų67.663%0.62636%0.363SS*.Hα-helixtrans-58-41176.4-60.40000111.8P12 E14 S20P12-T16 PolarHBondContact O-N 2.69Å; P12-T16 VanDerWaalsContact O-N 3.08Å; P12-T16 PolarHBondContact O-OG1 2.91Å; P12-T16 VanDerWaalsContact O-OG1 3.07Å; E14-T16 PolarHBondContact O-N 3.45Å; T16-S20 PolarHBondContact O-N 3.09Å; T16-S20 VanDerWaalsContact O-N 3.1Å
17K97.8Very high92.6Very high60 Ų6070.6 Ų70.626%0.26137%0.372SS..Hα-helixtrans-66.9-48178.2-178.8-178.759.4172.10111.9A13 E14 E15 A19 S20 Y21 E42A13-K17 PolarHBondContact O-N 3.08Å; E14-K17 WeakPolarHBondContact O-CB 3.41Å; E14-K17 PolarHBondContact O-N 3.39Å; E14-K17 VanDerWaalsContact O-N 3.14Å; E15-K17 VanDerWaalsContact C-N 3.27Å; E15-K17 PolarHBondContact O-N 3.3Å; K17-A19 VanDerWaalsContact C-N 3.32Å; K17-A19 PolarHBondContact O-N 2.85Å; K17-S20 WeakPolarHBondContact O-CB 3.26Å; K17-S20 PolarHBondContact O-N 2.86Å; K17-S20 VanDerWaalsContact O-N 3.16Å; K17-Y21 HydrophobicContact CD-CE2 4.46Å; K17-Y21 HydrophobicContact CG-CE2 4.21Å; K17-Y21 PolarHBondContact O-N 3.33Å; K17-E42 WeakPolarHBondContact CD-OE1 3.43Å; K17-E42 WeakPolarHBondContact CE-OE1 3.5Å; K17-E42 IonicContact NZ-OE1 3.2Å; K17-E42 PolarHBondContact NZ-OE1 3.11Å
18W97.9Very high93.7Very high8 Ų872.6 Ų72.63%0.0338%0.382CS..Hα-helixtrans-65-36.6179-54.1143.7000112.4E14 E15 S20 Y21 Q22 E42 I43 A46 L114 L117 R118E14-W18 PolarHBondContact O-N 2.92Å; E15-W18 PolarHBondContact O-N 3.18Å; W18-S20 VanDerWaalsContact C-N 3.34Å; W18-Y21 AromaticContact CE3-CD2 3.94Å; W18-Y21 HydrophobicContact CE3-CD2 3.94Å; W18-Y21 HydrophobicContact CE3-CE2 4.34Å; W18-Y21 AromaticContact CZ3-CD2 3.99Å; W18-Y21 HydrophobicContact CZ3-CD2 3.99Å; W18-Y21 AromaticContact CZ3-CE2 3.99Å; W18-Y21 HydrophobicContact CZ3-CE2 3.99Å; W18-Y21 PolarHBondContact O-N 3.07Å; W18-Q22 WeakPolarHBondContact O-CB 3.43Å; W18-Q22 PolarHBondContact O-N 3.2Å; W18-E42 HydrophobicContact CH2-CG 4.07Å; W18-E42 HydrophobicContact CZ3-CG 4.22Å; W18-I43 HydrophobicContact CZ3-CG1 4.28Å; W18-A46 HydrophobicContact CH2-CB 3.48Å; W18-A46 VanDerWaalsContact CH2-CB 3.48Å; W18-A46 HydrophobicContact CZ2-CB 3.46Å; W18-A46 VanDerWaalsContact CZ2-CB 3.46Å; W18-L114 HydrophobicContact CB-CD2 4.17Å; W18-L114 HydrophobicContact CE3-CD2 4.16Å; W18-L117 HydrophobicContact CD2-CD1 4.08Å; W18-L117 HydrophobicContact CE3-CD1 4.31Å; W18-L117 HydrophobicContact CG-CB 4.19Å; W18-L117 HydrophobicContact CH2-CD1 4.45Å; W18-L117 HydrophobicContact CZ2-CD1 4.26Å; W18-L117 HydrophobicContact CZ3-CD1 4.48Å; W18-R118 HydrophobicContact CB-CG 3.54Å; W18-R118 HydrophobicContact CG-CG 4.43Å
19A97.6Very high94.3Very high27 Ų2770 Ų7022%0.22336%0.362CS..Hα-helixtrans-60.9-43.6172.400000111.7E15 K17 Q22 E23E15-A19 VanDerWaalsContact O-CB 3.31Å; E15-A19 WeakPolarHBondContact O-CB 3.34Å; E15-A19 PolarHBondContact O-N 3.22Å; K17-A19 VanDerWaalsContact C-N 3.32Å; K17-A19 PolarHBondContact O-N 2.85Å; A19-Q22 PolarHBondContact O-N 2.97Å; A19-E23 PolarHBondContact O-N 3.33Å
20S98Very high94.4Very high65 Ų6567.3 Ų67.346%0.45536%0.355SS..Hα-helixtrans-61.3-46.2175.8-178.60000112.4T16 K17 W18 Q22 E23 K24T16-S20 PolarHBondContact O-N 3.09Å; T16-S20 VanDerWaalsContact O-N 3.1Å; K17-S20 WeakPolarHBondContact O-CB 3.26Å; K17-S20 PolarHBondContact O-N 2.86Å; K17-S20 VanDerWaalsContact O-N 3.16Å; W18-S20 VanDerWaalsContact C-N 3.34Å; S20-Q22 PolarHBondContact O-N 3.33Å; S20-E23 PolarHBondContact O-N 3.2Å; S20-K24 WeakPolarHBondContact O-CB 3.03Å; S20-K24 PolarHBondContact O-N 3.44Å
21Y98.3Very high94.4Very high33 Ų3371.1 Ų71.113%0.12937%0.371CS..Hα-helixtrans-65-38177-71.2-5.2000112.6K17 W18 L25 E39 E42 I43K17-Y21 HydrophobicContact CD-CE2 4.46Å; K17-Y21 HydrophobicContact CG-CE2 4.21Å; K17-Y21 PolarHBondContact O-N 3.33Å; W18-Y21 AromaticContact CE3-CD2 3.94Å; W18-Y21 HydrophobicContact CE3-CD2 3.94Å; W18-Y21 HydrophobicContact CE3-CE2 4.34Å; W18-Y21 AromaticContact CZ3-CD2 3.99Å; W18-Y21 HydrophobicContact CZ3-CD2 3.99Å; W18-Y21 AromaticContact CZ3-CE2 3.99Å; W18-Y21 HydrophobicContact CZ3-CE2 3.99Å; W18-Y21 PolarHBondContact O-N 3.07Å; Y21-L25 VanDerWaalsContact O-CB 3.29Å; Y21-L25 WeakPolarHBondContact O-CB 2.96Å; Y21-L25 PolarHBondContact O-N 2.91Å; Y21-E39 HydrophobicContact CE1-CB 4.36Å; Y21-E39 HydrophobicContact CE1-CG 3.88Å; Y21-E39 HydrophobicContact CE2-CB 4.17Å; Y21-E39 HydrophobicContact CE2-CG 4.44Å; Y21-E42 WeakPolarHBondContact CE2-OE2 3.42Å; Y21-E42 PolarHBondContact OH-OE2 3.49Å; Y21-I43 HydrophobicContact CD2-CD1 3.95Å; Y21-I43 HydrophobicContact CD2-CG1 3.85Å; Y21-I43 HydrophobicContact CE2-CG1 4.45Å
22Q97.9Very high93.9Very high17 Ų1769.8 Ų69.88%0.07937%0.371CS..Hα-helixtrans-62.9-46.4173.8-179.6179-27.400111.4W18 A19 S20 L25 L26 L111 L114 R118W18-Q22 WeakPolarHBondContact O-CB 3.43Å; W18-Q22 PolarHBondContact O-N 3.2Å; A19-Q22 PolarHBondContact O-N 2.97Å; S20-Q22 PolarHBondContact O-N 3.33Å; Q22-L25 PolarHBondContact O-N 3.31Å; Q22-L26 HydrophobicContact CG-CD1 4.01Å; Q22-L26 HydrophobicContact CG-CG 4.43Å; Q22-L26 WeakPolarHBondContact O-CB 3.09Å; Q22-L26 VanDerWaalsContact O-CG 3.26Å; Q22-L26 WeakPolarHBondContact O-CG 3.32Å; Q22-L26 PolarHBondContact O-N 3.37Å; Q22-L111 HydrophobicContact CG-CD1 4Å; Q22-L114 HydrophobicContact CB-CD1 4.26Å; Q22-R118 VanDerWaalsContact CD-NH1 3.3Å
23E97.5Very high93.5Very high139 Ų13970.7 Ų70.765%0.6537%0.366SS*.Hα-helixtrans-60.6-47.1177.9-175.4173.5-170.800111.5A19 S20 L25 L26 Q27A19-E23 PolarHBondContact O-N 3.33Å; S20-E23 PolarHBondContact O-N 3.2Å; E23-L25 PolarHBondContact O-N 3.46Å; E23-L26 PolarHBondContact O-N 3.49Å; E23-Q27 WeakPolarHBondContact O-CB 2.92Å; E23-Q27 PolarHBondContact O-N 3.37Å
24K97.8Very high93.2Very high53 Ų5367.1 Ų67.123%0.2334%0.336CS..Hα-helixtrans-58.6-47176.2-174.4179.5-179.4-170.80111.9S20 L26 Q27 L28 L35 E36 E39S20-K24 WeakPolarHBondContact O-CB 3.03Å; S20-K24 PolarHBondContact O-N 3.44Å; K24-L26 PolarHBondContact O-N 3.05Å; K24-Q27 PolarHBondContact O-N 2.89Å; K24-L28 HydrophobicContact CG-CD1 3.89Å; K24-L28 WeakPolarHBondContact O-CB 3.34Å; K24-L28 WeakPolarHBondContact O-CG 3.42Å; K24-L28 PolarHBondContact O-N 3.25Å; K24-L35 HydrophobicContact CB-CD2 4Å; K24-L35 HydrophobicContact CD-CD2 3.71Å; K24-L35 HydrophobicContact CG-CD2 3.79Å; K24-E36 IonicContact NZ-OE1 2.67Å; K24-E39 IonicContact NZ-OE1 3.37Å; K24-E39 PolarHBondContact NZ-OE1 2.98Å; K24-E39 IonicContact NZ-OE2 3.37Å; K24-E39 PolarHBondContact NZ-OE2 3.27Å
25L97.5Very high93.3Very high0 Ų063.6 Ų63.60%032%0.319CS..Hα-helixtrans-58.9-46.1177.4-176156.6000111.3Y21 Q22 E23 L28 R29 L35 E107 L110 L111 L114Y21-L25 VanDerWaalsContact O-CB 3.29Å; Y21-L25 WeakPolarHBondContact O-CB 2.96Å; Y21-L25 PolarHBondContact O-N 2.91Å; Q22-L25 PolarHBondContact O-N 3.31Å; E23-L25 PolarHBondContact O-N 3.46Å; L25-L28 CarbonylContact O-C 3.6Å; L25-L28 PolarHBondContact O-N 2.97Å; L25-R29 WeakPolarHBondContact O-CA 3.37Å; L25-R29 PolarHBondContact O-N 3.28Å; L25-L35 HydrophobicContact CB-CD1 4.23Å; L25-L35 HydrophobicContact CB-CD2 4.29Å; L25-L35 HydrophobicContact CB-CG 4.21Å; L25-L35 HydrophobicContact CD1-CD1 4.03Å; L25-E107 HydrophobicContact CD2-CB 4.41Å; L25-L110 HydrophobicContact CD1-CB 3.74Å; L25-L111 HydrophobicContact CD1-CB 4.36Å; L25-L111 HydrophobicContact CD2-CB 4.16Å; L25-L114 HydrophobicContact CD1-CD1 4.16Å
26L96.5Very high93.3Very high38 Ų3866.9 Ų66.920%0.19933%0.334CS..Hα-helixtrans-68.7-34.6-179.6-67.6176.6000112.7Q22 E23 K24 R29 L78 W86 L111Q22-L26 HydrophobicContact CG-CD1 4.01Å; Q22-L26 HydrophobicContact CG-CG 4.43Å; Q22-L26 WeakPolarHBondContact O-CB 3.09Å; Q22-L26 VanDerWaalsContact O-CG 3.26Å; Q22-L26 WeakPolarHBondContact O-CG 3.32Å; Q22-L26 PolarHBondContact O-N 3.37Å; E23-L26 PolarHBondContact O-N 3.49Å; K24-L26 PolarHBondContact O-N 3.05Å; L26-R29 WeakPolarHBondContact O-CG 3.29Å; L26-R29 PolarHBondContact O-NH1 3.26Å; L26-L78 HydrophobicContact CD2-CD1 4.13Å; L26-L78 HydrophobicContact CD2-CD2 3.46Å; L26-L78 VanDerWaalsContact CD2-CD2 3.46Å; L26-L78 HydrophobicContact CD2-CG 4.46Å; L26-W86 HydrophobicContact CD1-CH2 4.1Å; L26-W86 HydrophobicContact CD2-CH2 4.21Å; L26-L111 HydrophobicContact CD2-CD1 4.35Å; L26-L111 HydrophobicContact CD2-CD2 4.28Å
27Q96Very high93.2Very high148 Ų14864.8 Ų64.869%0.69232%0.318SS*.Hα-helixtrans-66.6-41.2174.7-174.517910.600111.5E23 K24E23-Q27 WeakPolarHBondContact O-CB 2.92Å; E23-Q27 PolarHBondContact O-N 3.37Å; K24-Q27 PolarHBondContact O-N 2.89Å
28L94Very high93.2Very high52 Ų5265.2 Ų65.227%0.27233%0.329SS..THydrogen-bonded Turntrans-98.717.7-176.2-58.3175.4000113.1K24 L25 N30 E31 S34K24-L28 HydrophobicContact CG-CD1 3.89Å; K24-L28 WeakPolarHBondContact O-CB 3.34Å; K24-L28 WeakPolarHBondContact O-CG 3.42Å; K24-L28 PolarHBondContact O-N 3.25Å; L25-L28 CarbonylContact O-C 3.6Å; L25-L28 PolarHBondContact O-N 2.97Å; L28-N30 PolarHBondContact O-N 3.41Å; L28-E31 HydrophobicContact CB-CB 4.4Å; L28-E31 HydrophobicContact CB-CG 4.11Å; L28-E31 HydrophobicContact CD2-CG 4Å; L28-E31 WeakPolarHBondContact O-CB 3.37Å; L28-E31 PolarHBondContact O-N 3.39Å; L28-S34 WeakPolarHBondContact CD1-O 3.49Å; L28-S34 WeakPolarHBondContact O-CB 3.47Å
29R89.9Confident93.2Very high80 Ų8065.9 Ų65.930%0.30233%0.333SS..THydrogen-bonded Turntrans-59.6-19.6-173.470.8178.3-178.1-77.63.2115.5L25 L26 L74 E75L25-R29 WeakPolarHBondContact O-CA 3.37Å; L25-R29 PolarHBondContact O-N 3.28Å; L26-R29 WeakPolarHBondContact O-CG 3.29Å; L26-R29 PolarHBondContact O-NH1 3.26Å; R29-L74 HydrophobicContact CB-CD2 3.72Å; R29-E75 IonicContact NE-OE2 3.74Å; R29-E75 PolarHBondContact NE-OE2 2.78Å
30N87.5Confident93.2Very high104 Ų10464.6 Ų64.656%0.55632%0.322SS*.THydrogen-bonded Turntrans-99.1-4.9178.9-68.7-40.1000113.2L28 R104L28-N30 PolarHBondContact O-N 3.41Å; N30-R104 PolarHBondContact O-NH2 3.33Å
31E87.2Confident93.3Very high108 Ų10863.3 Ų63.351%0.50531%0.31SS..SBendtrans-85.5154-178.6-57.1-56.2148.500111.4L28 Q33 R104 R148L28-E31 HydrophobicContact CB-CB 4.4Å; L28-E31 HydrophobicContact CB-CG 4.11Å; L28-E31 HydrophobicContact CD2-CG 4Å; L28-E31 WeakPolarHBondContact O-CB 3.37Å; L28-E31 PolarHBondContact O-N 3.39Å; E31-Q33 PolarHBondContact O-N 2.86Å; E31-R104 PolarHBondContact O-NH1 3.38Å; E31-R148 PolarHBondContact O-NH2 3.11Å
32D77.8Confident93.3Very high118 Ų11864.8 Ų64.863%0.63132%0.318SS*.SBendtrans-71-19.1178.7-73.5-22.6000113.1R148D32-R148 VanDerWaalsContact C-NH2 3.27Å; D32-R148 PolarHBondContact O-NE 2.81Å; D32-R148 PolarHBondContact O-NH2 3.04Å
33Q79.2Confident93.3Very high130 Ų13064 Ų6461%0.60731%0.314SS*.  trans-136.7101.4170-71177.4-15.400108.1E31 R148E31-Q33 PolarHBondContact O-N 2.86Å; Q33-R148 WeakPolarHBondContact CG-O 3.46Å; Q33-R148 PolarHBondContact NE2-O 3.24Å
34S84.1Confident93.3Very high2 Ų257.4 Ų57.41%0.01428%0.283CS..SBendtrans-84-41.9-176.267.60000112.6L28 E107L28-S34 WeakPolarHBondContact CD1-O 3.49Å; L28-S34 WeakPolarHBondContact O-CB 3.47Å; S34-E107 PolarHBondContact OG-OE1 3.41Å
35L94.7Very high93.4Very high3 Ų359.5 Ų59.52%0.01630%0.297CS..SBendtrans-117.1149.7172.9-65.1-176000109.4K24 L25 E39 I43 L110 Y149K24-L35 HydrophobicContact CB-CD2 4Å; K24-L35 HydrophobicContact CD-CD2 3.71Å; K24-L35 HydrophobicContact CG-CD2 3.79Å; L25-L35 HydrophobicContact CB-CD1 4.23Å; L25-L35 HydrophobicContact CB-CD2 4.29Å; L25-L35 HydrophobicContact CB-CG 4.21Å; L25-L35 HydrophobicContact CD1-CD1 4.03Å; L35-E39 WeakPolarHBondContact CA-OE2 3.26Å; L35-E39 HydrophobicContact CB-CB 4.23Å; L35-I43 HydrophobicContact CD1-CD1 3.64Å; L35-L110 HydrophobicContact CD1-CD1 4.27Å; L35-Y149 WeakPolarHBondContact O-CE1 3.26Å; L35-Y149 PolarHBondContact O-OH 3.44Å
36E95.4Very high93.4Very high117 Ų11760.7 Ų60.755%0.54731%0.307SS..  trans-67.1155.5172-65.4177.6-161.500110.2K24 S38 E39 A40K24-E36 IonicContact NZ-OE1 2.67Å; E36-S38 VanDerWaalsContact C-N 3.26Å; E36-S38 PolarHBondContact O-N 2.85Å; E36-E39 HydrophobicContact CB-CG 4.15Å; E36-E39 PolarHBondContact N-OE2 3.22Å; E36-E39 WeakPolarHBondContact O-CB 3.4Å; E36-E39 PolarHBondContact O-N 2.81Å; E36-E39 VanDerWaalsContact O-N 3.09Å; E36-A40 PolarHBondContact O-N 2.83Å
37M95.5Very high93.5Very high58 Ų5858.9 Ų58.929%0.28630%0.297SS..Hα-helixtrans-57.7-40.1179.4-174.7178.8171.100112.2E39 A40 D41 Y149 D150 S152M37-E39 VanDerWaalsContact C-N 3.35Å; M37-E39 PolarHBondContact O-N 2.88Å; M37-A40 PolarHBondContact O-N 2.94Å; M37-D41 WeakPolarHBondContact O-CB 3.36Å; M37-D41 PolarHBondContact O-N 3.17Å; M37-Y149 HydrophobicContact CB-CD1 4.29Å; M37-D150 WeakPolarHBondContact CE-OD1 3.04Å; M37-D150 WeakPolarHBondContact CE-OD2 3.26Å; M37-D150 VanDerWaalsContact SD-OD2 3.36Å; M37-S152 WeakPolarHBondContact CE-OG 3.46Å
38S97.4Very high93.6Very high70 Ų7053.4 Ų53.449%0.4927%0.272SS..Hα-helixtrans-61.5-39.4175.647.20000113E36 E42E36-S38 VanDerWaalsContact C-N 3.26Å; E36-S38 PolarHBondContact O-N 2.85Å; S38-E42 WeakPolarHBondContact O-CB 3.34Å; S38-E42 PolarHBondContact O-N 3.43Å
39E98.1Very high93.7Very high22 Ų2254.3 Ų54.310%0.10328%0.281CS..Hα-helixtrans-69.4-41.7177.3-63.4173.713700110.6Y21 K24 L35 E36 M37 E42 I43Y21-E39 HydrophobicContact CE1-CB 4.36Å; Y21-E39 HydrophobicContact CE1-CG 3.88Å; Y21-E39 HydrophobicContact CE2-CB 4.17Å; Y21-E39 HydrophobicContact CE2-CG 4.44Å; K24-E39 IonicContact NZ-OE1 3.37Å; K24-E39 PolarHBondContact NZ-OE1 2.98Å; K24-E39 IonicContact NZ-OE2 3.37Å; K24-E39 PolarHBondContact NZ-OE2 3.27Å; L35-E39 WeakPolarHBondContact CA-OE2 3.26Å; L35-E39 HydrophobicContact CB-CB 4.23Å; E36-E39 HydrophobicContact CB-CG 4.15Å; E36-E39 PolarHBondContact N-OE2 3.22Å; E36-E39 WeakPolarHBondContact O-CB 3.4Å; E36-E39 PolarHBondContact O-N 2.81Å; E36-E39 VanDerWaalsContact O-N 3.09Å; M37-E39 VanDerWaalsContact C-N 3.35Å; M37-E39 PolarHBondContact O-N 2.88Å; E39-E42 PolarHBondContact O-N 2.81Å; E39-I43 WeakPolarHBondContact O-CD1 3.35Å; E39-I43 VanDerWaalsContact O-CG1 3.28Å; E39-I43 WeakPolarHBondContact O-CG1 3.36Å; E39-I43 PolarHBondContact O-N 2.92Å; E39-I43 VanDerWaalsContact O-N 3.09Å
40A97.9Very high94Very high0 Ų051.6 Ų51.60%027%0.274CS..Hα-helixtrans-63-47175.200000111.5E36 M37 E42 I43 I44 L110 L153E36-A40 PolarHBondContact O-N 2.83Å; M37-A40 PolarHBondContact O-N 2.94Å; A40-E42 VanDerWaalsContact C-N 3.31Å; A40-E42 PolarHBondContact O-N 3.07Å; A40-I43 PolarHBondContact O-N 2.91Å; A40-I44 VanDerWaalsContact O-CG1 3.25Å; A40-I44 WeakPolarHBondContact O-CG1 3.12Å; A40-I44 PolarHBondContact O-N 2.78Å; A40-L110 HydrophobicContact CB-CD1 3.99Å; A40-L110 HydrophobicContact CB-CD2 4.23Å; A40-L153 HydrophobicContact CB-CD1 3.89Å
41D98.4Very high94.5Very high38 Ų3846.7 Ų46.720%0.20325%0.248CC..Hα-helixtrans-59.3-42.3176.4-76.5-33.2000111.5M37 I43 I44 D45 H156M37-D41 WeakPolarHBondContact O-CB 3.36Å; M37-D41 PolarHBondContact O-N 3.17Å; D41-I43 VanDerWaalsContact C-N 3.34Å; D41-I43 PolarHBondContact O-N 2.98Å; D41-I44 PolarHBondContact O-N 2.89Å; D41-D45 WeakPolarHBondContact O-CB 3.49Å; D41-D45 PolarHBondContact O-N 2.73Å; D41-H156 PolarHBondContact O-CE1 3.16Å; D41-H156 IonicContact OD1-CE1 3.18Å; D41-H156 IonicContact OD1-CG 3.79Å; D41-H156 IonicContact OD1-ND1 3.44Å; D41-H156 PolarHBondContact OD1-ND1 2.85Å
42E98.3Very high94.9Very high64 Ų6444.8 Ų44.830%0.29924%0.241SC..Hα-helixtrans-63.8-37.2177.8-172.9176.2-167.700112.8K17 W18 Y21 S38 E39 A40 A46K17-E42 WeakPolarHBondContact CD-OE1 3.43Å; K17-E42 WeakPolarHBondContact CE-OE1 3.5Å; K17-E42 IonicContact NZ-OE1 3.2Å; K17-E42 PolarHBondContact NZ-OE1 3.11Å; W18-E42 HydrophobicContact CH2-CG 4.07Å; W18-E42 HydrophobicContact CZ3-CG 4.22Å; Y21-E42 WeakPolarHBondContact CE2-OE2 3.42Å; Y21-E42 PolarHBondContact OH-OE2 3.49Å; S38-E42 WeakPolarHBondContact O-CB 3.34Å; S38-E42 PolarHBondContact O-N 3.43Å; E39-E42 PolarHBondContact O-N 2.81Å; A40-E42 VanDerWaalsContact C-N 3.31Å; A40-E42 PolarHBondContact O-N 3.07Å; E42-A46 VanDerWaalsContact O-CB 3.25Å; E42-A46 WeakPolarHBondContact O-CB 3.46Å; E42-A46 PolarHBondContact O-N 3.02Å; E42-A46 VanDerWaalsContact O-N 3.07Å
43I98.6Very high95.7Very high0 Ų041.2 Ų41.20%022%0.223CC..Hα-helixtrans-64.8-45.2173.6-66.9162.1000110.2W18 Y21 L35 E39 A40 D41 A46 I47 L110 F113 L114 L117W18-I43 HydrophobicContact CZ3-CG1 4.28Å; Y21-I43 HydrophobicContact CD2-CD1 3.95Å; Y21-I43 HydrophobicContact CD2-CG1 3.85Å; Y21-I43 HydrophobicContact CE2-CG1 4.45Å; L35-I43 HydrophobicContact CD1-CD1 3.64Å; E39-I43 WeakPolarHBondContact O-CD1 3.35Å; E39-I43 VanDerWaalsContact O-CG1 3.28Å; E39-I43 WeakPolarHBondContact O-CG1 3.36Å; E39-I43 PolarHBondContact O-N 2.92Å; E39-I43 VanDerWaalsContact O-N 3.09Å; A40-I43 PolarHBondContact O-N 2.91Å; D41-I43 VanDerWaalsContact C-N 3.34Å; D41-I43 PolarHBondContact O-N 2.98Å; I43-A46 PolarHBondContact O-N 2.87Å; I43-I47 WeakPolarHBondContact O-CB 3.19Å; I43-I47 WeakPolarHBondContact O-CG2 3.49Å; I43-I47 PolarHBondContact O-N 2.81Å; I43-L110 HydrophobicContact CB-CD2 4.16Å; I43-L110 HydrophobicContact CD1-CD2 4.15Å; I43-L110 HydrophobicContact CG2-CD2 3.98Å; I43-F113 HydrophobicContact CG2-CB 3.7Å; I43-F113 HydrophobicContact CG2-CD2 4.36Å; I43-L114 HydrophobicContact CD1-CD1 3.91Å; I43-L114 HydrophobicContact CD1-CD2 3.81Å; I43-L114 HydrophobicContact CD1-CG 3.88Å; I43-L114 HydrophobicContact CG1-CD2 3.83Å; I43-L114 HydrophobicContact CG1-CG 4.25Å; I43-L114 HydrophobicContact CG2-CG 4.34Å; I43-L117 HydrophobicContact CG2-CD1 4.13Å
44I98.7Very high96.4Very high0 Ų035.3 Ų35.30%020%0.195CC..Hα-helixtrans-66.1-43.9-178.5-62.7165000110.9A40 D41 A46 I47 I48 L110 L153 H156 F157 A160A40-I44 VanDerWaalsContact O-CG1 3.25Å; A40-I44 WeakPolarHBondContact O-CG1 3.12Å; A40-I44 PolarHBondContact O-N 2.78Å; D41-I44 PolarHBondContact O-N 2.89Å; I44-A46 VanDerWaalsContact C-N 3.32Å; I44-A46 PolarHBondContact O-N 2.8Å; I44-I47 VanDerWaalsContact O-CG2 3.26Å; I44-I47 WeakPolarHBondContact O-CG2 3.43Å; I44-I47 PolarHBondContact O-N 3.01Å; I44-I48 HydrophobicContact CG2-CD1 4.21Å; I44-I48 WeakPolarHBondContact O-CD1 3.49Å; I44-I48 VanDerWaalsContact O-CG1 3.31Å; I44-I48 WeakPolarHBondContact O-CG1 2.93Å; I44-I48 PolarHBondContact O-N 3.04Å; I44-L110 HydrophobicContact CG1-CD2 4.49Å; I44-L153 HydrophobicContact CD1-CD1 3.63Å; I44-H156 HydrophobicContact CD1-CB 4.19Å; I44-H156 HydrophobicContact CG2-CB 4.4Å; I44-H156 WeakPolarHBondContact CG2-CD2 3.44Å; I44-H156 WeakPolarHBondContact CG2-NE2 3.13Å; I44-F157 HydrophobicContact CD1-CD1 3.7Å; I44-F157 HydrophobicContact CD1-CD2 4.05Å; I44-F157 HydrophobicContact CD1-CE1 3.58Å; I44-F157 HydrophobicContact CD1-CE2 3.97Å; I44-F157 HydrophobicContact CD1-CG 3.93Å; I44-F157 HydrophobicContact CD1-CZ 3.73Å; I44-F157 HydrophobicContact CG1-CD1 3.95Å; I44-F157 HydrophobicContact CG1-CE1 3.74Å; I44-F157 HydrophobicContact CG1-CZ 4.29Å; I44-A160 HydrophobicContact CG2-CB 3.94Å
45D98.5Very high97Very high98 Ų9836.9 Ų36.952%0.52421%0.206SC..Hα-helixtrans-61.3-41.3175.8-82.9-34.4000111.6D41 P49 H156D41-D45 WeakPolarHBondContact O-CB 3.49Å; D41-D45 PolarHBondContact O-N 2.73Å; D45-P49 WeakPolarHBondContact O-CD 3.44Å; D45-H156 IonicContact OD1-CE1 3.02Å; D45-H156 PolarHBondContact OD1-CE1 2.83Å; D45-H156 IonicContact OD1-NE2 2.81Å; D45-H156 PolarHBondContact OD1-NE2 3.36Å; D45-H156 VanDerWaalsContact OD1-NE2 3.14Å; D45-H156 IonicContact OD2-CE1 3.91Å
46A98Very high97.1Very high24 Ų2437.1 Ų37.120%0.19821%0.207CC..Hα-helixtrans-72.2-35.5-178.900000113.2W18 E42 I43 I44 P49 L117W18-A46 HydrophobicContact CH2-CB 3.48Å; W18-A46 VanDerWaalsContact CH2-CB 3.48Å; W18-A46 HydrophobicContact CZ2-CB 3.46Å; W18-A46 VanDerWaalsContact CZ2-CB 3.46Å; E42-A46 VanDerWaalsContact O-CB 3.25Å; E42-A46 WeakPolarHBondContact O-CB 3.46Å; E42-A46 PolarHBondContact O-N 3.02Å; E42-A46 VanDerWaalsContact O-N 3.07Å; I43-A46 PolarHBondContact O-N 2.87Å; I44-A46 VanDerWaalsContact C-N 3.32Å; I44-A46 PolarHBondContact O-N 2.8Å; A46-P49 WeakPolarHBondContact O-CD 3.32Å; A46-P49 WeakPolarHBondContact O-CG 3.21Å; A46-L117 HydrophobicContact CB-CD1 4.11Å; A46-L117 HydrophobicContact CB-CD2 3.93Å
47I98Very high97.3Very high0 Ų031.6 Ų31.60%018%0.181CC..Hα-helixtrans-76-33-175.4-170.757.2000112.5I43 I44 V50 L51 F113 K116 L117 A160I43-I47 WeakPolarHBondContact O-CB 3.19Å; I43-I47 WeakPolarHBondContact O-CG2 3.49Å; I43-I47 PolarHBondContact O-N 2.81Å; I44-I47 VanDerWaalsContact O-CG2 3.26Å; I44-I47 WeakPolarHBondContact O-CG2 3.43Å; I44-I47 PolarHBondContact O-N 3.01Å; I47-V50 HydrophobicContact CD1-CB 4.27Å; I47-V50 HydrophobicContact CD1-CG1 4.35Å; I47-V50 WeakPolarHBondContact O-CB 3.41Å; I47-V50 PolarHBondContact O-N 2.94Å; I47-V50 VanDerWaalsContact O-N 3.09Å; I47-L51 HydrophobicContact CD1-CD2 4.28Å; I47-L51 HydrophobicContact CD1-CG 4.1Å; I47-L51 HydrophobicContact CG1-CD1 3.88Å; I47-L51 HydrophobicContact CG1-CD2 4.39Å; I47-L51 HydrophobicContact CG1-CG 3.85Å; I47-L51 WeakPolarHBondContact O-CG 3.48Å; I47-L51 PolarHBondContact O-N 3.09Å; I47-F113 HydrophobicContact CB-CB 4.34Å; I47-F113 HydrophobicContact CB-CD2 4.47Å; I47-F113 HydrophobicContact CB-CG 4.29Å; I47-F113 HydrophobicContact CG1-CB 4.13Å; I47-F113 HydrophobicContact CG1-CD1 3.91Å; I47-F113 HydrophobicContact CG1-CD2 4.5Å; I47-F113 HydrophobicContact CG1-CE1 4.42Å; I47-F113 HydrophobicContact CG1-CG 3.95Å; I47-F113 HydrophobicContact CG2-CB 4.43Å; I47-F113 HydrophobicContact CG2-CD1 4.44Å; I47-F113 HydrophobicContact CG2-CD2 3.69Å; I47-F113 HydrophobicContact CG2-CE2 3.91Å; I47-F113 HydrophobicContact CG2-CG 3.96Å; I47-F113 HydrophobicContact CG2-CZ 4.39Å; I47-K116 HydrophobicContact CD1-CB 3.78Å; I47-K116 HydrophobicContact CD1-CG 3.39Å; I47-L117 HydrophobicContact CB-CD1 4.5Å; I47-L117 HydrophobicContact CB-CD2 4.3Å; I47-L117 HydrophobicContact CB-CG 4.35Å; I47-L117 HydrophobicContact CD1-CD2 4.16Å; I47-L117 HydrophobicContact CD1-CG 4.05Å; I47-A160 HydrophobicContact CG2-CB 4.28Å
48I98.1Very high97.4Very high33 Ų3329 Ų2917%0.16917%0.168CC..Hα-helixtrans-50-56.4179.6-75.7164.1000112.9I44 V50 L51 L52 N159 A160I44-I48 HydrophobicContact CG2-CD1 4.21Å; I44-I48 WeakPolarHBondContact O-CD1 3.49Å; I44-I48 VanDerWaalsContact O-CG1 3.31Å; I44-I48 WeakPolarHBondContact O-CG1 2.93Å; I44-I48 PolarHBondContact O-N 3.04Å; I48-V50 VanDerWaalsContact C-N 3.29Å; I48-V50 PolarHBondContact O-N 3.34Å; I48-L51 PolarHBondContact O-N 2.79Å; I48-L52 HydrophobicContact CG2-CD1 3.94Å; I48-L52 WeakPolarHBondContact O-CG 3.42Å; I48-L52 PolarHBondContact O-N 3.25Å; I48-N159 HydrophobicContact CD1-CB 4.02Å; I48-A160 HydrophobicContact CD1-CB 4.46Å; I48-A160 HydrophobicContact CG1-CB 3.96Å
49P96.2Very high97.4Very high71 Ų7130.1 Ų30.146%0.46117%0.166SC..Hα-helixtrans-63.5-35.2179.323.9-33.4000112.1D45 A46 L52 T53D45-P49 WeakPolarHBondContact O-CD 3.44Å; A46-P49 WeakPolarHBondContact O-CD 3.32Å; A46-P49 WeakPolarHBondContact O-CG 3.21Å; P49-L52 PolarHBondContact O-N 3.45Å; P49-T53 WeakPolarHBondContact O-CG2 3.28Å; P49-T53 PolarHBondContact O-N 3.22Å
50V96.2Very high97.3Very high24 Ų2429.1 Ų29.115%0.14516%0.161CC..Hα-helixtrans-62.9-45.2176.3174.60000111I47 I48 L52 T53 Q54 K116 L117 P120I47-V50 HydrophobicContact CD1-CB 4.27Å; I47-V50 HydrophobicContact CD1-CG1 4.35Å; I47-V50 WeakPolarHBondContact O-CB 3.41Å; I47-V50 PolarHBondContact O-N 2.94Å; I47-V50 VanDerWaalsContact O-N 3.09Å; I48-V50 VanDerWaalsContact C-N 3.29Å; I48-V50 PolarHBondContact O-N 3.34Å; V50-L52 VanDerWaalsContact C-N 3.32Å; V50-L52 PolarHBondContact O-N 2.98Å; V50-T53 PolarHBondContact O-N 3.09Å; V50-T53 PolarHBondContact O-OG1 2.81Å; V50-Q54 PolarHBondContact O-N 2.68Å; V50-K116 HydrophobicContact CG1-CG 4.47Å; V50-L117 HydrophobicContact CG2-CD2 4.05Å; V50-P120 HydrophobicContact CG1-CB 4.46Å
51L97.3Very high97.3Very high0 Ų035.1 Ų35.10%019%0.189CC..Hα-helixtrans-64.8-35.8177.2-66.4175000112.9I47 I48 Q54 I125 C163 L164 R196I47-L51 HydrophobicContact CD1-CD2 4.28Å; I47-L51 HydrophobicContact CD1-CG 4.1Å; I47-L51 HydrophobicContact CG1-CD1 3.88Å; I47-L51 HydrophobicContact CG1-CD2 4.39Å; I47-L51 HydrophobicContact CG1-CG 3.85Å; I47-L51 WeakPolarHBondContact O-CG 3.48Å; I47-L51 PolarHBondContact O-N 3.09Å; I48-L51 PolarHBondContact O-N 2.79Å; L51-Q54 PolarHBondContact O-N 3.35Å; L51-I125 HydrophobicContact CD2-CD1 4.23Å; L51-I125 HydrophobicContact CD2-CG1 4.18Å; L51-C163 HydrophobicContact CB-CB 4.08Å; L51-C163 HydrophobicContact CD1-CB 4.34Å; L51-L164 HydrophobicContact CD1-CD2 3.81Å; L51-L164 HydrophobicContact CD1-CG 4.29Å; L51-L164 HydrophobicContact CD2-CD2 4.02Å; L51-R196 PolarHBondContact O-NH1 3.08Å
52L96.5Very high97.3Very high69 Ų6934.6 Ų34.636%0.36119%0.188SC..Hα-helixtrans-73.5-24.7177.6-70.8174.2000113.2I48 P49 V50 C163 R196I48-L52 HydrophobicContact CG2-CD1 3.94Å; I48-L52 WeakPolarHBondContact O-CG 3.42Å; I48-L52 PolarHBondContact O-N 3.25Å; P49-L52 PolarHBondContact O-N 3.45Å; V50-L52 VanDerWaalsContact C-N 3.32Å; V50-L52 PolarHBondContact O-N 2.98Å; L52-C163 HydrophobicContact CD2-CB 3.97Å; L52-C163 HydrophobicContact CG-CB 4.05Å; L52-R196 HydrophobicContact CD2-CB 4.01Å
53T94.7Very high97.2Very high42 Ų4235.4 Ų35.426%0.25820%0.198SC..Hα-helixtrans-68.8-40.5171.7600000111.6A5 P49 V50A5-T53 WeakPolarHBondContact CB-O 3.31Å; A5-T53 CarbonylContact O-C 3.52Å; A5-T53 VanDerWaalsContact O-C 3.24Å; P49-T53 WeakPolarHBondContact O-CG2 3.28Å; P49-T53 PolarHBondContact O-N 3.22Å; V50-T53 PolarHBondContact O-N 3.09Å; V50-T53 PolarHBondContact O-OG1 2.81Å
54Q94.5Very high97.2Very high6 Ų635.6 Ų35.63%0.02820%0.199CC..SBendtrans-62.3146.1176.4-67.7-163.5-78.200111.2P7 V50 L51 K116 P165 R196P7-Q54 HydrophobicContact CG-CG 3.35Å; V50-Q54 PolarHBondContact O-N 2.68Å; L51-Q54 PolarHBondContact O-N 3.35Å; Q54-K116 VanDerWaalsContact NE2-NZ 3.15Å; Q54-P165 HydrophobicContact CB-CG 4.43Å; Q54-R196 PolarHBondContact O-NH2 2.64Å
55P96Very high97.2Very high36 Ų3635.8 Ų35.823%0.23420%0.201CC..  trans-65.9157167.228.4-34000111.1L57 I58P55-L57 VanDerWaalsContact C-N 3.29Å; P55-L57 WeakPolarHBondContact CB-O 3.35Å; P55-L57 VanDerWaalsContact CG-O 3.26Å; P55-L57 WeakPolarHBondContact CG-O 3.35Å; P55-L57 PolarHBondContact O-N 3.48Å; P55-I58 WeakPolarHBondContact O-CG1 3.34Å
56I97.8Very high97.3Very high7 Ų731.1 Ų31.14%0.03618%0.176CC..SBendtrans-69.8-28178.9-168.6173.5000112.7L166 C167 I191 M194 R196 M206I56-L166 HydrophobicContact CD1-CD1 3.61Å; I56-L166 HydrophobicContact CD1-CG 3.78Å; I56-L166 HydrophobicContact CG1-CB 4.1Å; I56-L166 HydrophobicContact CG1-CD1 4.1Å; I56-L166 HydrophobicContact CG1-CG 3.83Å; I56-L166 PolarHBondContact O-N 2.93Å; I56-C167 PolarHBondContact O-N 3.31Å; I56-I191 HydrophobicContact CG2-CG2 4.12Å; I56-I191 WeakPolarHBondContact CG2-O 3.21Å; I56-M194 HydrophobicContact CD1-CB 3.64Å; I56-M194 HydrophobicContact CD1-SD 4.43Å; I56-M194 HydrophobicContact CG2-CB 4.46Å; I56-R196 HydrophobicContact CD1-CG 3.89Å; I56-R196 HydrophobicContact CG1-CG 4.35Å; I56-M206 HydrophobicContact CD1-CE 4.3Å
57L98.4Very high97.3Very high1 Ų130 Ų301%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-101.4104.5162.2175.663.9000107.3P55 C167 L169 F175 W188 I191 R192P55-L57 VanDerWaalsContact C-N 3.29Å; P55-L57 WeakPolarHBondContact CB-O 3.35Å; P55-L57 VanDerWaalsContact CG-O 3.26Å; P55-L57 WeakPolarHBondContact CG-O 3.35Å; P55-L57 PolarHBondContact O-N 3.48Å; L57-C167 HydrophobicContact CD1-CB 3.6Å; L57-L169 HydrophobicContact CD1-CB 4.16Å; L57-F175 HydrophobicContact CD1-CD2 4.44Å; L57-F175 HydrophobicContact CD1-CE2 4.01Å; L57-W188 HydrophobicContact CD2-CB 4.03Å; L57-W188 HydrophobicContact CD2-CD2 4.3Å; L57-W188 HydrophobicContact CD2-CE3 3.98Å; L57-W188 HydrophobicContact CD2-CG 4.37Å; L57-I191 HydrophobicContact CB-CB 4.49Å; L57-I191 HydrophobicContact CB-CG2 3.93Å; L57-R192 HydrophobicContact CB-CG 4.29Å; L57-R192 HydrophobicContact CD2-CG 4.15Å
58I97.4Very high97.3Very high4 Ų430 Ų302%0.02117%0.166CC..EExtended strand (participates in β ladder)trans-83.4129.9-180-51.8171.4000109.5P55 V60 Y124 L126 P165 C167 G168 L169P55-I58 WeakPolarHBondContact O-CG1 3.34Å; I58-V60 HydrophobicContact CB-CG2 4.38Å; I58-V60 HydrophobicContact CG2-CG2 3.78Å; I58-Y124 HydrophobicContact CD1-CD1 4.1Å; I58-Y124 HydrophobicContact CG2-CD1 3.66Å; I58-Y124 HydrophobicContact CG2-CE1 3.65Å; I58-L126 HydrophobicContact CD1-CD2 3.93Å; I58-P165 HydrophobicContact CD1-CB 3.55Å; I58-P165 HydrophobicContact CD1-CG 3.46Å; I58-P165 VanDerWaalsContact CD1-CG 3.46Å; I58-P165 HydrophobicContact CG1-CB 3.7Å; I58-P165 HydrophobicContact CG1-CG 3.92Å; I58-C167 PolarHBondContact N-O 2.89Å; I58-G168 CarbonylContact O-C 3.59Å; I58-G168 VanDerWaalsContact O-CA 3.27Å; I58-G168 WeakPolarHBondContact O-CA 2.95Å; I58-L169 PolarHBondContact O-N 2.98Å
59E97.1Very high97.4Very high93 Ų9328.4 Ų28.444%0.43516%0.158SC..EExtended strand (participates in β ladder)trans-92124.7169.8-66.6172.9-163.200108.5L169 R192E59-L169 WeakPolarHBondContact CA-O 3.48Å; E59-R192 IonicContact OE1-CZ 2.62Å; E59-R192 IonicContact OE1-NE 3.92Å; E59-R192 IonicContact OE1-NH2 2.71Å; E59-R192 PolarHBondContact OE1-NH2 3.36Å
60V97.3Very high97.5Very high1 Ų125.2 Ų25.21%0.00614%0.137CC..EExtended strand (participates in β ladder)trans-123.9128.1-171.6-178.30000109.9I58 V64 Y124 L169 V170 A171I58-V60 HydrophobicContact CB-CG2 4.38Å; I58-V60 HydrophobicContact CG2-CG2 3.78Å; V60-V64 HydrophobicContact CG1-CB 4.28Å; V60-V64 HydrophobicContact CG1-CG1 4.49Å; V60-V64 HydrophobicContact CG1-CG2 4.14Å; V60-Y124 HydrophobicContact CG1-CD2 4.06Å; V60-Y124 HydrophobicContact CG1-CE2 3.8Å; V60-Y124 HydrophobicContact CG2-CD1 4.08Å; V60-Y124 HydrophobicContact CG2-CD2 4.17Å; V60-Y124 HydrophobicContact CG2-CE1 4.09Å; V60-Y124 HydrophobicContact CG2-CE2 4.23Å; V60-Y124 HydrophobicContact CG2-CG 4.09Å; V60-L169 PolarHBondContact N-O 3.37Å; V60-V170 HydrophobicContact CB-CG2 4.22Å; V60-V170 CarbonylContact O-C 3.55Å; V60-V170 VanDerWaalsContact O-CA 3.27Å; V60-V170 WeakPolarHBondContact O-CA 3.49Å; V60-A171 PolarHBondContact O-N 3.31Å
61E97Very high97.6Very high127 Ų12724.3 Ų24.359%0.59313%0.131SC*.PPolyproline II helixtrans-82.4148.1175.7-66.9-59.9145.500111.8R91E61-R91 WeakPolarHBondContact O-CD 3.27Å; E61-R91 PolarHBondContact O-NH1 3.12Å
62T97.9Very high97.6Very high27 Ų2724.4 Ų24.417%0.16613%0.132CC..SBendtrans-75.2156.8169.152.20000112V170 A171 V290 D291 L294T62-V170 HydrophobicContact CG2-CG1 3.81Å; T62-A171 HydrophobicContact CG2-CB 4.08Å; T62-V290 HydrophobicContact CG2-CB 4.38Å; T62-V290 HydrophobicContact CG2-CG1 3.79Å; T62-D291 WeakPolarHBondContact CB-O 3.43Å; T62-D291 WeakPolarHBondContact CG2-O 3.44Å; T62-L294 HydrophobicContact CG2-CD2 3.99Å
63P98Very high97.6Very high81 Ų8122.5 Ų22.553%0.52612%0.122SC..SBendcis-73150-5.131.7-35.5000112.2R91 V290P63-R91 WeakPolarHBondContact O-CB 3.4Å; P63-V290 WeakPolarHBondContact CA-O 3.42Å
64V98.5Very high97.7Very high3 Ų320.8 Ų20.82%0.01811%0.111CC..EExtended strand (participates in β ladder)trans-149.1145176.159.40000110.8V60 R91 L93 V170 S289 V290V60-V64 HydrophobicContact CG1-CB 4.28Å; V60-V64 HydrophobicContact CG1-CG1 4.49Å; V60-V64 HydrophobicContact CG1-CG2 4.14Å; V64-R91 CarbonylContact C-O 3.45Å; V64-R91 HydrophobicContact CB-CG 4.16Å; V64-R91 HydrophobicContact CG2-CG 3.98Å; V64-L93 HydrophobicContact CG2-CB 3.89Å; V64-V170 HydrophobicContact CG1-CB 4.39Å; V64-V170 HydrophobicContact CG1-CG1 3.47Å; V64-V170 VanDerWaalsContact CG1-CG1 3.47Å; V64-V170 HydrophobicContact CG1-CG2 3.99Å; V64-S289 WeakPolarHBondContact O-CA 3.26Å; V64-V290 HydrophobicContact CG1-CB 4.29Å; V64-V290 PolarHBondContact N-O 2.75Å; V64-V290 PolarHBondContact O-N 3.12Å
65T98.6Very high97.7Very high5 Ų523.8 Ų23.83%0.03113%0.125CC..EExtended strand (participates in β ladder)trans-103.2124.6169-62.30000109.8I84 R91 Y92 L93 A287 M288 S289T65-I84 HydrophobicContact CG2-CD1 4.05Å; T65-I84 HydrophobicContact CG2-CG2 4.23Å; T65-R91 PolarHBondContact N-O 3.47Å; T65-Y92 HydrophobicContact CG2-CD1 4.14Å; T65-Y92 HydrophobicContact CG2-CE1 3.88Å; T65-Y92 CarbonylContact O-C 3.54Å; T65-Y92 VanDerWaalsContact O-CA 3.31Å; T65-Y92 WeakPolarHBondContact O-CA 3.32Å; T65-L93 PolarHBondContact O-N 2.87Å; T65-A287 HydrophobicContact CG2-CB 3.96Å; T65-M288 CarbonylContact C-O 3.48Å; T65-M288 WeakPolarHBondContact CA-O 3.33Å; T65-S289 PolarHBondContact OG1-OG 2.82Å
66I98.8Very high97.7Very high0 Ų023.1 Ų23.10%012%0.119CC..EExtended strand (participates in β ladder)trans-99.1127.6180-54.5171.2000108.8L93 L95 V170 I174 A250 L271 A287 M288 V290I66-L93 CarbonylContact C-O 3.36Å; I66-L93 VanDerWaalsContact CA-O 3.28Å; I66-L93 WeakPolarHBondContact CA-O 3.22Å; I66-L93 HydrophobicContact CG1-CB 4.42Å; I66-L93 HydrophobicContact CG1-CD2 4.47Å; I66-L95 HydrophobicContact CG2-CD1 3.8Å; I66-L95 HydrophobicContact CG2-CD2 3.81Å; I66-L95 HydrophobicContact CG2-CG 3.83Å; I66-V170 HydrophobicContact CD1-CG2 4.27Å; I66-I174 HydrophobicContact CD1-CG2 4.48Å; I66-A250 HydrophobicContact CD1-CB 4.31Å; I66-A250 HydrophobicContact CG2-CB 4.47Å; I66-L271 HydrophobicContact CB-CD1 4.11Å; I66-L271 HydrophobicContact CG2-CD1 3.79Å; I66-A287 WeakPolarHBondContact O-CA 3.42Å; I66-M288 HydrophobicContact CD1-CE 3.74Å; I66-M288 PolarHBondContact N-O 3.37Å; I66-M288 PolarHBondContact O-N 2.85Å; I66-V290 HydrophobicContact CD1-CG2 4.08Å
67C98.8Very high97.7Very high0 Ų023 Ų230%012%0.119CC..EExtended strand (participates in β ladder)trans-122.4138.9-177.9-62.10000110.7L93 F94 L95 S273C67-L93 PolarHBondContact N-O 2.88Å; C67-F94 HydrophobicContact CB-CD1 3.47Å; C67-F94 VanDerWaalsContact CB-CD1 3.47Å; C67-F94 HydrophobicContact CB-CD2 4.36Å; C67-F94 HydrophobicContact CB-CE1 3.43Å; C67-F94 VanDerWaalsContact CB-CE1 3.43Å; C67-F94 HydrophobicContact CB-CE2 4.32Å; C67-F94 HydrophobicContact CB-CG 3.95Å; C67-F94 HydrophobicContact CB-CZ 3.87Å; C67-F94 WeakPolarHBondContact O-CA 3.38Å; C67-L95 WeakPolarHBondContact O-CG 3.32Å; C67-L95 PolarHBondContact O-N 2.83Å; C67-S273 WeakPolarHBondContact CA-OG 3.49Å
68G98.7Very high97.6Very high0 Ų023.4 Ų23.40%012%0.121CC..  trans-87.5-145.817400000112.7S273G68-S273 PolarHBondContact N-OG 3.27Å
69D98.8Very high97.5Very high0 Ų025 Ų250%013%0.127CC..BIsolated β-bridgetrans-61.6148.6-173.7-46.977.7000113.7D97 H178 A252 H253 F272 S273 A274D69-D97 HydrophobicContact CB-CB 4.19Å; D69-D97 WeakPolarHBondContact OD2-CB 3.21Å; D69-H178 IonicContact OD2-CE1 3.36Å; D69-H178 PolarHBondContact OD2-CE1 2.99Å; D69-H178 IonicContact OD2-NE2 3.77Å; D69-A252 WeakPolarHBondContact OD1-CB 3.27Å; D69-H253 PolarHBondContact OD1-N 3.44Å; D69-H253 WeakPolarHBondContact OD2-CA 3.25Å; D69-H253 PolarHBondContact OD2-N 2.83Å; D69-F272 HydrophobicContact CB-CD2 3.76Å; D69-F272 HydrophobicContact CB-CE1 4.44Å; D69-F272 HydrophobicContact CB-CE2 3.39Å; D69-F272 HydrophobicContact CB-CG 4.42Å; D69-F272 HydrophobicContact CB-CZ 3.77Å; D69-F272 WeakPolarHBondContact OD1-CD2 3.47Å; D69-F272 VanDerWaalsContact OD1-CE2 3.28Å; D69-F272 WeakPolarHBondContact OD1-CE2 3.25Å; D69-S273 CarbonylContact O-C 3.23Å; D69-S273 VanDerWaalsContact O-CA 3.29Å; D69-S273 WeakPolarHBondContact O-CA 3.14Å; D69-S273 WeakPolarHBondContact O-CB 3.27Å; D69-S273 PolarHBondContact O-N 3.31Å; D69-S273 VanDerWaalsContact O-N 3.09Å; D69-A274 PolarHBondContact O-N 3.46Å; D69-A274 VanDerWaalsContact O-N 3.07Å
70V98.6Very high97.5Very high3 Ų320.9 Ų20.92%0.01811%0.108CC..  trans-126.1-40.6178.5179.40000112.6G72 Q73 L77 F94 D97 V108V70-G72 PolarHBondContact O-N 2.87Å; V70-Q73 WeakPolarHBondContact O-CB 3.32Å; V70-Q73 PolarHBondContact O-N 3.46Å; V70-L77 HydrophobicContact CG1-CB 4.07Å; V70-L77 HydrophobicContact CG1-CD1 4.47Å; V70-L77 HydrophobicContact CG1-CD2 4.25Å; V70-L77 HydrophobicContact CG1-CG 4.5Å; V70-L77 HydrophobicContact CG2-CD1 4.2Å; V70-F94 HydrophobicContact CG2-CD1 4.17Å; V70-F94 HydrophobicContact CG2-CE1 3.95Å; V70-D97 PolarHBondContact N-O 2.78Å; V70-V108 HydrophobicContact CB-CG1 4.47Å; V70-V108 HydrophobicContact CG1-CG1 3.85Å; V70-V108 HydrophobicContact CG1-CG2 4.2Å
71H98.3Very high97.4Very high5 Ų520.9 Ų20.92%0.02311%0.107CC..THydrogen-bonded Turntrans48.954.2173.4-78.1-56.8000115.4Q73 D97 V99 D100 R101 G102 H130 Y277H71-Q73 PolarHBondContact O-N 2.93Å; H71-D97 IonicContact CE1-OD2 2.75Å; H71-D97 PolarHBondContact N-O 2.91Å; H71-D97 IonicContact NE2-OD2 3.75Å; H71-V99 PolarHBondContact ND1-O 3.28Å; H71-D100 CarbonylContact C-O 3.47Å; H71-D100 VanDerWaalsContact C-O 3.23Å; H71-D100 WeakPolarHBondContact CA-O 3.29Å; H71-D100 WeakPolarHBondContact CB-O 3.29Å; H71-R101 HydrophobicContact CB-CB 4.18Å; H71-R101 HydrophobicContact CB-CG 4.41Å; H71-G102 WeakPolarHBondContact O-CA 3.33Å; H71-G102 PolarHBondContact O-N 2.84Å; H71-H130 AromaticContact CE1-CD2 3.6Å; H71-H130 AromaticContact CE1-CE1 3.96Å; H71-H130 AromaticContact CE1-CG 3.77Å; H71-H130 AromaticContact CE1-ND1 3.98Å; H71-H130 AromaticContact CE1-NE2 3.74Å; H71-Y277 HydrophobicContact CB-CD2 4.47Å; H71-Y277 HydrophobicContact CB-CE2 3.78Å; H71-Y277 AromaticContact CD2-CE2 3.25Å; H71-Y277 WeakPolarHBondContact CD2-CE2 3.26Å; H71-Y277 AromaticContact CD2-CZ 3.67Å; H71-Y277 PolarHBondContact CD2-OH 3.24Å; H71-Y277 AromaticContact CG-CE2 3.71Å; H71-Y277 AromaticContact NE2-CE2 3.99Å; H71-Y277 AromaticContact NE2-CZ 3.94Å; H71-Y277 PolarHBondContact NE2-OH 3.17Å
72G97.5Very high97.4Very high2 Ų220.1 Ų20.12%0.02111%0.108CC..THydrogen-bonded Turntrans64.614.5174.400000115.3V70 L74 Y98 R104V70-G72 PolarHBondContact O-N 2.87Å; G72-L74 VanDerWaalsContact C-N 3.31Å; G72-L74 PolarHBondContact O-N 2.85Å; G72-Y98 PolarHBondContact N-O 3.47Å; G72-R104 WeakPolarHBondContact O-CB 3.47Å; G72-R104 PolarHBondContact O-N 3.28Å
73Q96.9Very high97.2Very high29 Ų2922.2 Ų22.214%0.13611%0.113CC..  trans-85.768174-68.7-174-126.900111.3V70 H71 E75 D76 L77 P275V70-Q73 WeakPolarHBondContact O-CB 3.32Å; V70-Q73 PolarHBondContact O-N 3.46Å; H71-Q73 PolarHBondContact O-N 2.93Å; Q73-E75 PolarHBondContact O-N 3.03Å; Q73-D76 HydrophobicContact CB-CB 4.22Å; Q73-D76 PolarHBondContact NE2-OD2 2.8Å; Q73-D76 PolarHBondContact O-N 3.18Å; Q73-L77 PolarHBondContact O-N 3.23Å; Q73-P275 PolarHBondContact NE2-O 2.98Å
74L96.4Very high97.1Very high7 Ų719.9 Ų19.94%0.03710%0.096CC..Hα-helixtrans-54.8-48.5-173.8-179.464.3000113.7R29 G72 D76 L77 L78 R104 E107 V108 L111R29-L74 HydrophobicContact CB-CD2 3.72Å; G72-L74 VanDerWaalsContact C-N 3.31Å; G72-L74 PolarHBondContact O-N 2.85Å; L74-D76 VanDerWaalsContact C-N 3.28Å; L74-D76 PolarHBondContact O-N 3.17Å; L74-L77 WeakPolarHBondContact O-CB 3.4Å; L74-L77 PolarHBondContact O-N 2.87Å; L74-L77 VanDerWaalsContact O-N 3.14Å; L74-L78 HydrophobicContact CD1-CD2 4.48Å; L74-L78 HydrophobicContact CD1-CG 4.34Å; L74-L78 HydrophobicContact CG-CD1 4.34Å; L74-L78 HydrophobicContact CG-CG 4.44Å; L74-L78 WeakPolarHBondContact O-CG 3.28Å; L74-L78 PolarHBondContact O-N 2.79Å; L74-R104 HydrophobicContact CB-CB 3.71Å; L74-R104 HydrophobicContact CB-CG 4.24Å; L74-R104 HydrophobicContact CD2-CB 4.34Å; L74-E107 HydrophobicContact CD1-CB 4.24Å; L74-E107 HydrophobicContact CD2-CB 3.55Å; L74-E107 HydrophobicContact CD2-CG 4Å; L74-E107 HydrophobicContact CG-CB 4.42Å; L74-V108 HydrophobicContact CB-CG2 3.9Å; L74-V108 HydrophobicContact CD1-CG2 4.02Å; L74-L111 HydrophobicContact CD1-CD2 4.09Å
75E95.1Very high97Very high69 Ų6920.7 Ų20.732%0.32211%0.105SC..Hα-helixtrans-63.2-36.7-176.9-170.964.3-160.200111.6R29 Q73 L78 R79 Y304R29-E75 IonicContact NE-OE2 3.74Å; R29-E75 PolarHBondContact NE-OE2 2.78Å; Q73-E75 PolarHBondContact O-N 3.03Å; E75-L78 PolarHBondContact O-N 2.79Å; E75-R79 WeakPolarHBondContact O-CD 3.27Å; E75-R79 VanDerWaalsContact O-CG 3.22Å; E75-R79 WeakPolarHBondContact O-CG 3.44Å; E75-R79 PolarHBondContact O-N 2.79Å; E75-Y304 HydrophobicContact CG-CE2 4Å; E75-Y304 PolarHBondContact OE1-OH 2.99Å
76D95.4Very high97Very high21 Ų2123.4 Ų23.411%0.11211%0.114CC..Hα-helixtrans-69.3-36.7175.5-64-55.1000112.2Q73 L74 R79 L80 P275 L301Q73-D76 HydrophobicContact CB-CB 4.22Å; Q73-D76 PolarHBondContact NE2-OD2 2.8Å; Q73-D76 PolarHBondContact O-N 3.18Å; L74-D76 VanDerWaalsContact C-N 3.28Å; L74-D76 PolarHBondContact O-N 3.17Å; D76-R79 PolarHBondContact O-N 2.92Å; D76-R79 IonicContact OD1-CZ 3.68Å; D76-R79 IonicContact OD1-NH1 2.69Å; D76-R79 PolarHBondContact OD1-NH1 2.85Å; D76-L80 PolarHBondContact O-N 2.93Å; D76-P275 HydrophobicContact CB-CG 3.8Å; D76-P275 VanDerWaalsContact CG-CG 3.46Å; D76-P275 WeakPolarHBondContact OD1-CG 3.37Å; D76-L301 HydrophobicContact CB-CD2 4.41Å; D76-L301 WeakPolarHBondContact O-CD2 3.44Å
77L97.2Very high96.9Very high4 Ų423.7 Ų23.72%0.02112%0.116CC..Hα-helixtrans-61.3-43.6172179.164.2000111.8V70 Q73 L74 L80 Y81 F94 V108 L111V70-L77 HydrophobicContact CG1-CB 4.07Å; V70-L77 HydrophobicContact CG1-CD1 4.47Å; V70-L77 HydrophobicContact CG1-CD2 4.25Å; V70-L77 HydrophobicContact CG1-CG 4.5Å; V70-L77 HydrophobicContact CG2-CD1 4.2Å; Q73-L77 PolarHBondContact O-N 3.23Å; L74-L77 WeakPolarHBondContact O-CB 3.4Å; L74-L77 PolarHBondContact O-N 2.87Å; L74-L77 VanDerWaalsContact O-N 3.14Å; L77-L80 WeakPolarHBondContact O-CB 3.49Å; L77-L80 PolarHBondContact O-N 2.83Å; L77-Y81 HydrophobicContact CD1-CD2 4.49Å; L77-Y81 HydrophobicContact CD1-CE1 4.37Å; L77-Y81 HydrophobicContact CD1-CE2 3.78Å; L77-Y81 HydrophobicContact CD2-CE2 4.09Å; L77-Y81 HydrophobicContact CG-CD2 4.24Å; L77-Y81 HydrophobicContact CG-CE2 3.64Å; L77-Y81 WeakPolarHBondContact O-CD2 3.39Å; L77-Y81 PolarHBondContact O-N 3.37Å; L77-Y81 VanDerWaalsContact O-N 3.08Å; L77-F94 HydrophobicContact CD1-CE1 3.78Å; L77-F94 HydrophobicContact CD1-CZ 3.79Å; L77-V108 HydrophobicContact CD2-CG1 4.1Å; L77-V108 HydrophobicContact CD2-CG2 4.33Å; L77-L111 HydrophobicContact CD2-CD2 4.35Å
78L96.9Very high96.8Very high10 Ų1026.3 Ų26.35%0.05213%0.133CC..Hα-helixtrans-63.2-42.8177.1-63.4-178.9000111.5L26 L74 E75 L80 Y81 D82 W86 L111L26-L78 HydrophobicContact CD2-CD1 4.13Å; L26-L78 HydrophobicContact CD2-CD2 3.46Å; L26-L78 VanDerWaalsContact CD2-CD2 3.46Å; L26-L78 HydrophobicContact CD2-CG 4.46Å; L74-L78 HydrophobicContact CD1-CD2 4.48Å; L74-L78 HydrophobicContact CD1-CG 4.34Å; L74-L78 HydrophobicContact CG-CD1 4.34Å; L74-L78 HydrophobicContact CG-CG 4.44Å; L74-L78 WeakPolarHBondContact O-CG 3.28Å; L74-L78 PolarHBondContact O-N 2.79Å; E75-L78 PolarHBondContact O-N 2.79Å; L78-L80 VanDerWaalsContact C-N 3.27Å; L78-L80 PolarHBondContact O-N 3.03Å; L78-Y81 PolarHBondContact O-N 3.15Å; L78-Y81 VanDerWaalsContact O-N 3.12Å; L78-D82 PolarHBondContact O-N 2.84Å; L78-W86 HydrophobicContact CD2-CH2 3.59Å; L78-W86 HydrophobicContact CD2-CZ2 3.97Å; L78-L111 HydrophobicContact CD2-CD2 3.72Å
79R95.5Very high96.7Very high39 Ų3933.3 Ų33.315%0.14717%0.171CC..Hα-helixtrans-61.5-36.2174.5-67163.777.2-148.4-6112.5E75 D76 Y81 D82 Y83 L301 F302 Y304E75-R79 WeakPolarHBondContact O-CD 3.27Å; E75-R79 VanDerWaalsContact O-CG 3.22Å; E75-R79 WeakPolarHBondContact O-CG 3.44Å; E75-R79 PolarHBondContact O-N 2.79Å; D76-R79 PolarHBondContact O-N 2.92Å; D76-R79 IonicContact OD1-CZ 3.68Å; D76-R79 IonicContact OD1-NH1 2.69Å; D76-R79 PolarHBondContact OD1-NH1 2.85Å; R79-Y81 VanDerWaalsContact C-N 3.35Å; R79-D82 PolarHBondContact O-N 2.93Å; R79-Y83 VanDerWaalsContact O-CB 3.32Å; R79-Y83 WeakPolarHBondContact O-CB 3.15Å; R79-Y83 PolarHBondContact O-N 2.67Å; R79-L301 HydrophobicContact CB-CD1 4.16Å; R79-L301 HydrophobicContact CB-CD2 4.27Å; R79-F302 PolarHBondContact NH1-O 3.32Å; R79-F302 VanDerWaalsContact NH1-O 3.11Å; R79-F302 PolarHBondContact NH2-O 3.47Å; R79-Y304 VanDerWaalsContact CD-CE2 3.41Å; R79-Y304 VanDerWaalsContact CD-CZ 3.43Å; R79-Y304 VanDerWaalsContact CD-OH 3.24Å; R79-Y304 WeakPolarHBondContact CD-OH 3.44Å
80L96.3Very high96.7Very high6 Ų634.8 Ų34.83%0.03118%0.18CC..Hα-helixtrans-62.4-43.8174.6-177152.5000110.6D76 L77 L78 Y83 I84 Y92 A287 L301D76-L80 PolarHBondContact O-N 2.93Å; L77-L80 WeakPolarHBondContact O-CB 3.49Å; L77-L80 PolarHBondContact O-N 2.83Å; L78-L80 VanDerWaalsContact C-N 3.27Å; L78-L80 PolarHBondContact O-N 3.03Å; L80-Y83 PolarHBondContact O-N 3.27Å; L80-I84 HydrophobicContact CD2-CD1 3.95Å; L80-I84 HydrophobicContact CG-CD1 3.97Å; L80-I84 WeakPolarHBondContact O-CB 3.41Å; L80-I84 WeakPolarHBondContact O-CG1 3.28Å; L80-I84 PolarHBondContact O-N 2.87Å; L80-Y92 HydrophobicContact CD2-CE1 3.91Å; L80-A287 HydrophobicContact CD1-CB 4.47Å; L80-L301 HydrophobicContact CB-CD2 4.35Å
81Y97.3Very high96.7Very high0 Ų037.2 Ų37.20%019%0.189CC..Hα-helixtrans-67.4-41.5174.9-65.4-40.2000113.5L77 L78 R79 Y83 G85 W86 Y92 F94 L111 Q112 L115 F123L77-Y81 HydrophobicContact CD1-CD2 4.49Å; L77-Y81 HydrophobicContact CD1-CE1 4.37Å; L77-Y81 HydrophobicContact CD1-CE2 3.78Å; L77-Y81 HydrophobicContact CD2-CE2 4.09Å; L77-Y81 HydrophobicContact CG-CD2 4.24Å; L77-Y81 HydrophobicContact CG-CE2 3.64Å; L77-Y81 WeakPolarHBondContact O-CD2 3.39Å; L77-Y81 PolarHBondContact O-N 3.37Å; L77-Y81 VanDerWaalsContact O-N 3.08Å; L78-Y81 PolarHBondContact O-N 3.15Å; L78-Y81 VanDerWaalsContact O-N 3.12Å; R79-Y81 VanDerWaalsContact C-N 3.35Å; Y81-Y83 PolarHBondContact O-N 2.79Å; Y81-G85 CarbonylContact O-C 3.51Å; Y81-G85 WeakPolarHBondContact O-CA 3.02Å; Y81-G85 PolarHBondContact O-N 2.96Å; Y81-W86 HydrophobicContact CD2-CE3 4.15Å; Y81-W86 AromaticContact CD2-CH2 3.8Å; Y81-W86 HydrophobicContact CD2-CH2 3.8Å; Y81-W86 HydrophobicContact CD2-CZ2 4.18Å; Y81-W86 AromaticContact CD2-CZ3 3.77Å; Y81-W86 HydrophobicContact CD2-CZ3 3.77Å; Y81-W86 HydrophobicContact CE2-CZ3 4.4Å; Y81-W86 HydrophobicContact CG-CD2 4.31Å; Y81-W86 HydrophobicContact CG-CE3 4.27Å; Y81-W86 HydrophobicContact CG-CH2 4.44Å; Y81-W86 HydrophobicContact CG-CZ2 4.47Å; Y81-W86 HydrophobicContact CG-CZ3 4.33Å; Y81-W86 PolarHBondContact O-N 2.8Å; Y81-Y92 HydrophobicContact CD1-CE1 4.2Å; Y81-Y92 HydrophobicContact CD1-CE2 4.13Å; Y81-Y92 AromaticContact CD1-CZ 3.76Å; Y81-Y92 HydrophobicContact CE1-CD1 4.31Å; Y81-Y92 HydrophobicContact CE1-CE1 4.04Å; Y81-Y92 HydrophobicContact CE1-CE2 4.2Å; Y81-Y92 AromaticContact CE1-CZ 3.96Å; Y81-F94 HydrophobicContact CE1-CE2 4.01Å; Y81-F94 AromaticContact CE1-CZ 3.79Å; Y81-F94 HydrophobicContact CE1-CZ 3.79Å; Y81-F94 AromaticContact CZ-CZ 3.78Å; Y81-F94 WeakPolarHBondContact OH-CE2 3.15Å; Y81-F94 WeakPolarHBondContact OH-CZ 3.16Å; Y81-L111 HydrophobicContact CE2-CD2 4.33Å; Y81-Q112 PolarHBondContact OH-OE1 3.11Å; Y81-L115 HydrophobicContact CE2-CD1 3.85Å; Y81-F123 HydrophobicContact CE1-CE2 4.33Å; Y81-F123 WeakPolarHBondContact OH-CE2 3.24Å; Y81-F123 VanDerWaalsContact OH-CZ 3.29Å; Y81-F123 WeakPolarHBondContact OH-CZ 3.47Å
82D95.7Very high96.7Very high112 Ų11237 Ų3760%0.59919%0.187SC*.Hα-helixtrans-63.2-32.7176.9-72.5-21.5000112.1L78 R79 W86L78-D82 PolarHBondContact O-N 2.84Å; R79-D82 PolarHBondContact O-N 2.93Å; D82-W86 PolarHBondContact OD1-NE1 2.87Å
83Y93.4Very high96.8Very high70 Ų7036.9 Ų36.928%0.27519%0.186SC..Hα-helixtrans-82.2-51.5179.3178-106.1000114R79 L80 Y81 F313 N315R79-Y83 VanDerWaalsContact O-CB 3.32Å; R79-Y83 WeakPolarHBondContact O-CB 3.15Å; R79-Y83 PolarHBondContact O-N 2.67Å; L80-Y83 PolarHBondContact O-N 3.27Å; Y81-Y83 PolarHBondContact O-N 2.79Å; Y83-F313 HydrophobicContact CD1-CB 4.25Å; Y83-F313 AromaticContact CD1-CD1 3.03Å; Y83-F313 HydrophobicContact CD1-CD1 3.03Å; Y83-F313 HydrophobicContact CD1-CD2 4.29Å; Y83-F313 AromaticContact CD1-CE1 3.15Å; Y83-F313 HydrophobicContact CD1-CE1 3.15Å; Y83-F313 HydrophobicContact CD1-CE2 4.37Å; Y83-F313 AromaticContact CD1-CG 3.65Å; Y83-F313 HydrophobicContact CD1-CG 3.65Å; Y83-F313 AromaticContact CD1-CZ 3.84Å; Y83-F313 HydrophobicContact CD1-CZ 3.84Å; Y83-F313 HydrophobicContact CD2-CB 3.9Å; Y83-F313 AromaticContact CD2-CD1 3.57Å; Y83-F313 HydrophobicContact CD2-CD1 3.57Å; Y83-F313 AromaticContact CD2-CD2 3.19Å; Y83-F313 HydrophobicContact CD2-CD2 3.19Å; Y83-F313 AromaticContact CD2-CE1 3.73Å; Y83-F313 HydrophobicContact CD2-CE1 3.73Å; Y83-F313 AromaticContact CD2-CE2 3.36Å; Y83-F313 HydrophobicContact CD2-CE2 3.36Å; Y83-F313 AromaticContact CD2-CG 3.29Å; Y83-F313 HydrophobicContact CD2-CG 3.29Å; Y83-F313 AromaticContact CD2-CZ 3.61Å; Y83-F313 HydrophobicContact CD2-CZ 3.61Å; Y83-F313 HydrophobicContact CE1-CB 3.6Å; Y83-F313 AromaticContact CE1-CD1 3.18Å; Y83-F313 HydrophobicContact CE1-CD1 3.18Å; Y83-F313 HydrophobicContact CE1-CD2 4.44Å; Y83-F313 AromaticContact CE1-CE1 3.85Å; Y83-F313 HydrophobicContact CE1-CE1 3.85Å; Y83-F313 AromaticContact CE1-CG 3.53Å; Y83-F313 HydrophobicContact CE1-CG 3.53Å; Y83-F313 HydrophobicContact CE2-CB 3.18Å; Y83-F313 AromaticContact CE2-CD1 3.71Å; Y83-F313 HydrophobicContact CE2-CD1 3.71Å; Y83-F313 AromaticContact CE2-CD2 3.39Å; Y83-F313 HydrophobicContact CE2-CD2 3.39Å; Y83-F313 HydrophobicContact CE2-CE1 4.34Å; Y83-F313 HydrophobicContact CE2-CE2 4.07Å; Y83-F313 AromaticContact CE2-CG 3.16Å; Y83-F313 HydrophobicContact CE2-CG 3.16Å; Y83-F313 HydrophobicContact CE2-CZ 4.47Å; Y83-F313 HydrophobicContact CG-CB 4.38Å; Y83-F313 AromaticContact CG-CD1 3.24Å; Y83-F313 HydrophobicContact CG-CD1 3.24Å; Y83-F313 AromaticContact CG-CD2 3.69Å; Y83-F313 HydrophobicContact CG-CD2 3.69Å; Y83-F313 AromaticContact CG-CE1 3.08Å; Y83-F313 HydrophobicContact CG-CE1 3.08Å; Y83-F313 AromaticContact CG-CE2 3.55Å; Y83-F313 HydrophobicContact CG-CE2 3.55Å; Y83-F313 AromaticContact CG-CG 3.53Å; Y83-F313 HydrophobicContact CG-CG 3.53Å; Y83-F313 AromaticContact CG-CZ 3.22Å; Y83-F313 HydrophobicContact CG-CZ 3.22Å; Y83-F313 AromaticContact CZ-CD1 3.52Å; Y83-F313 AromaticContact CZ-CG 3.29Å; Y83-F313 WeakPolarHBondContact OH-CB 3.29Å; Y83-N315 PolarHBondContact OH-ND2 2.83Å
84I95.7Very high96.9Very high33 Ų3335.5 Ų35.517%0.16918%0.18CC..Hα-helixtrans-78.8-36.9-175.2-62-178.3000110.2T65 L80 V90 Y92 A287T65-I84 HydrophobicContact CG2-CD1 4.05Å; T65-I84 HydrophobicContact CG2-CG2 4.23Å; L80-I84 HydrophobicContact CD2-CD1 3.95Å; L80-I84 HydrophobicContact CG-CD1 3.97Å; L80-I84 WeakPolarHBondContact O-CB 3.41Å; L80-I84 WeakPolarHBondContact O-CG1 3.28Å; L80-I84 PolarHBondContact O-N 2.87Å; I84-V90 HydrophobicContact CG2-CG1 4.11Å; I84-Y92 VanDerWaalsContact CB-OH 3.31Å; I84-Y92 WeakPolarHBondContact CB-OH 3.49Å; I84-Y92 HydrophobicContact CG2-CE1 4.41Å; I84-Y92 VanDerWaalsContact CG2-OH 3.28Å; I84-Y92 WeakPolarHBondContact CG2-OH 3.27Å; I84-A287 HydrophobicContact CD1-CB 3.71Å
85G97Very high97Very high20 Ų2035.2 Ų35.221%0.20618%0.178CC..  trans124.3135.7-179.200000112Y81 Y92Y81-G85 CarbonylContact O-C 3.51Å; Y81-G85 WeakPolarHBondContact O-CA 3.02Å; Y81-G85 PolarHBondContact O-N 2.96Å; G85-Y92 VanDerWaalsContact O-CE2 3.26Å; G85-Y92 WeakPolarHBondContact O-CE2 3.22Å; G85-Y92 PolarHBondContact O-OH 2.82Å
86W97.9Very high97.2Very high61 Ų6131.9 Ų31.923%0.23116%0.163CC..  trans-69146.7-179.5-77.282.6000113.3L26 L78 Y81 D82 N89 V90 L115L26-W86 HydrophobicContact CD1-CH2 4.1Å; L26-W86 HydrophobicContact CD2-CH2 4.21Å; L78-W86 HydrophobicContact CD2-CH2 3.59Å; L78-W86 HydrophobicContact CD2-CZ2 3.97Å; Y81-W86 HydrophobicContact CD2-CE3 4.15Å; Y81-W86 AromaticContact CD2-CH2 3.8Å; Y81-W86 HydrophobicContact CD2-CH2 3.8Å; Y81-W86 HydrophobicContact CD2-CZ2 4.18Å; Y81-W86 AromaticContact CD2-CZ3 3.77Å; Y81-W86 HydrophobicContact CD2-CZ3 3.77Å; Y81-W86 HydrophobicContact CE2-CZ3 4.4Å; Y81-W86 HydrophobicContact CG-CD2 4.31Å; Y81-W86 HydrophobicContact CG-CE3 4.27Å; Y81-W86 HydrophobicContact CG-CH2 4.44Å; Y81-W86 HydrophobicContact CG-CZ2 4.47Å; Y81-W86 HydrophobicContact CG-CZ3 4.33Å; Y81-W86 PolarHBondContact O-N 2.8Å; D82-W86 PolarHBondContact OD1-NE1 2.87Å; W86-N89 WeakPolarHBondContact O-CB 3.49Å; W86-N89 PolarHBondContact O-N 3.37Å; W86-V90 PolarHBondContact O-N 3.21Å; W86-L115 HydrophobicContact CE3-CD2 4.44Å; W86-L115 HydrophobicContact CZ3-CD2 4.43Å
87P97.6Very high97.4Very high6 Ų631 Ų314%0.03916%0.158CC..THydrogen-bonded Turntrans-57.3145.5163.4-18.229.3000111.4Y92 L115 Y119 F123P87-Y92 HydrophobicContact CG-CD2 3.76Å; P87-Y92 HydrophobicContact CG-CE2 3.99Å; P87-L115 HydrophobicContact CB-CD2 4.44Å; P87-L115 HydrophobicContact CG-CD1 4.38Å; P87-L115 HydrophobicContact CG-CD2 4.22Å; P87-Y119 HydrophobicContact CB-CD2 3.67Å; P87-Y119 HydrophobicContact CB-CE2 4.13Å; P87-Y119 HydrophobicContact CB-CG 4.37Å; P87-F123 HydrophobicContact CB-CD2 4.08Å; P87-F123 HydrophobicContact CG-CD2 3.47Å; P87-F123 VanDerWaalsContact CG-CD2 3.47Å; P87-F123 HydrophobicContact CG-CE2 3.74Å
88P96.4Very high97.4Very high55 Ų5530.8 Ų30.836%0.35716%0.157SC..THydrogen-bonded Turncis-90.271.837.2-32.1000113V90 Y119 D122P88-V90 PolarHBondContact O-N 2.98Å; P88-Y119 HydrophobicContact CB-CD1 3.69Å; P88-Y119 HydrophobicContact CB-CE1 4.12Å; P88-Y119 HydrophobicContact CB-CG 4Å; P88-Y119 HydrophobicContact CG-CD1 3.8Å; P88-Y119 HydrophobicContact CG-CE1 3.7Å; P88-Y119 HydrophobicContact CG-CG 4.47Å; P88-D122 HydrophobicContact CB-CB 4.13Å
89N97.9Very high97.5Very high147 Ų14730.3 Ų30.379%0.78616%0.155SC*.THydrogen-bonded Turntrans-63.7-29.4-179.6-60.7-37.9000111.8W86W86-N89 WeakPolarHBondContact O-CB 3.49Å; W86-N89 PolarHBondContact O-N 3.37Å
90V98.2Very high97.7Very high31 Ų3128.5 Ų28.519%0.18815%0.148CC..SBendtrans-121.9134169.9179.80000108.8I84 W86 P88 Y92I84-V90 HydrophobicContact CG2-CG1 4.11Å; W86-V90 PolarHBondContact O-N 3.21Å; P88-V90 PolarHBondContact O-N 2.98Å; V90-Y92 HydrophobicContact CB-CD2 4.3Å; V90-Y92 HydrophobicContact CB-CE2 3.66Å; V90-Y92 HydrophobicContact CG1-CD2 4.09Å; V90-Y92 HydrophobicContact CG1-CE2 3.62Å; V90-Y92 WeakPolarHBondContact O-CD2 3.46Å
91R98.5Very high97.7Very high55 Ų5533.9 Ų33.921%0.20817%0.167CC..  trans-82134.9172.3176.4177.2-64.4136.213.2110.4E61 P63 V64 T65 Y121 D122 Y124E61-R91 WeakPolarHBondContact O-CD 3.27Å; E61-R91 PolarHBondContact O-NH1 3.12Å; P63-R91 WeakPolarHBondContact O-CB 3.4Å; V64-R91 CarbonylContact C-O 3.45Å; V64-R91 HydrophobicContact CB-CG 4.16Å; V64-R91 HydrophobicContact CG2-CG 3.98Å; T65-R91 PolarHBondContact N-O 3.47Å; R91-Y121 PolarHBondContact NE-O 3.08Å; R91-D122 CarbonylContact C-O 3.24Å; R91-D122 WeakPolarHBondContact CA-O 3.45Å; R91-D122 HydrophobicContact CB-CB 4.48Å; R91-D122 IonicContact CZ-OD1 3.45Å; R91-D122 IonicContact NE-OD1 3.54Å; R91-D122 PolarHBondContact NE-OD1 3.09Å; R91-D122 IonicContact NH2-OD1 3.7Å; R91-D122 PolarHBondContact NH2-OD1 2.89Å; R91-Y124 HydrophobicContact CG-CD2 4.23Å; R91-Y124 HydrophobicContact CG-CE2 3.98Å
92Y98.8Very high97.6Very high0 Ų034.9 Ų34.90%018%0.178CC..EExtended strand (participates in β ladder)trans-121.4143.8-178.8-76.3-91.9000113.3T65 L80 Y81 I84 G85 P87 V90 F94 D122 F123 Y124T65-Y92 HydrophobicContact CG2-CD1 4.14Å; T65-Y92 HydrophobicContact CG2-CE1 3.88Å; T65-Y92 CarbonylContact O-C 3.54Å; T65-Y92 VanDerWaalsContact O-CA 3.31Å; T65-Y92 WeakPolarHBondContact O-CA 3.32Å; L80-Y92 HydrophobicContact CD2-CE1 3.91Å; Y81-Y92 HydrophobicContact CD1-CE1 4.2Å; Y81-Y92 HydrophobicContact CD1-CE2 4.13Å; Y81-Y92 AromaticContact CD1-CZ 3.76Å; Y81-Y92 HydrophobicContact CE1-CD1 4.31Å; Y81-Y92 HydrophobicContact CE1-CE1 4.04Å; Y81-Y92 HydrophobicContact CE1-CE2 4.2Å; Y81-Y92 AromaticContact CE1-CZ 3.96Å; I84-Y92 VanDerWaalsContact CB-OH 3.31Å; I84-Y92 WeakPolarHBondContact CB-OH 3.49Å; I84-Y92 HydrophobicContact CG2-CE1 4.41Å; I84-Y92 VanDerWaalsContact CG2-OH 3.28Å; I84-Y92 WeakPolarHBondContact CG2-OH 3.27Å; G85-Y92 VanDerWaalsContact O-CE2 3.26Å; G85-Y92 WeakPolarHBondContact O-CE2 3.22Å; G85-Y92 PolarHBondContact O-OH 2.82Å; P87-Y92 HydrophobicContact CG-CD2 3.76Å; P87-Y92 HydrophobicContact CG-CE2 3.99Å; V90-Y92 HydrophobicContact CB-CD2 4.3Å; V90-Y92 HydrophobicContact CB-CE2 3.66Å; V90-Y92 HydrophobicContact CG1-CD2 4.09Å; V90-Y92 HydrophobicContact CG1-CE2 3.62Å; V90-Y92 WeakPolarHBondContact O-CD2 3.46Å; Y92-F94 AromaticContact CD1-CE2 3.77Å; Y92-F94 HydrophobicContact CD1-CE2 3.77Å; Y92-F94 HydrophobicContact CD1-CZ 4.27Å; Y92-F94 HydrophobicContact CG-CE2 4.05Å; Y92-D122 PolarHBondContact N-O 3.45Å; Y92-F123 HydrophobicContact CD2-CD2 4.42Å; Y92-F123 HydrophobicContact CD2-CE2 4.41Å; Y92-F123 HydrophobicContact CG-CD2 4.46Å; Y92-F123 HydrophobicContact CG-CE2 4.27Å; Y92-Y124 WeakPolarHBondContact O-CB 3.39Å; Y92-Y124 WeakPolarHBondContact O-CD2 3.31Å; Y92-Y124 PolarHBondContact O-N 2.88Å
93L98.8Very high97.5Very high0 Ų038.2 Ų38.20%019%0.187CC..EExtended strand (participates in β ladder)trans-126.1107.2164.917663.1000109V64 T65 I66 C67 L95 Y124 L126 V170 C176V64-L93 HydrophobicContact CG2-CB 3.89Å; T65-L93 PolarHBondContact O-N 2.87Å; I66-L93 CarbonylContact C-O 3.36Å; I66-L93 VanDerWaalsContact CA-O 3.28Å; I66-L93 WeakPolarHBondContact CA-O 3.22Å; I66-L93 HydrophobicContact CG1-CB 4.42Å; I66-L93 HydrophobicContact CG1-CD2 4.47Å; C67-L93 PolarHBondContact N-O 2.88Å; L93-L95 HydrophobicContact CG-CD2 4.34Å; L93-Y124 WeakPolarHBondContact CA-O 3.46Å; L93-L126 HydrophobicContact CD1-CD1 4.01Å; L93-L126 HydrophobicContact CD1-CD2 4.02Å; L93-L126 HydrophobicContact CD1-CG 3.76Å; L93-V170 HydrophobicContact CD2-CG2 3.94Å; L93-C176 HydrophobicContact CD2-CB 3.76Å
94F98.9Very high97.6Very high0 Ų037.3 Ų37.30%018%0.184CC..EExtended strand (participates in β ladder)trans-91139.2172.8-76.8-101.4000111.4C67 V70 L77 Y81 Y92 Y98 Q112 F123 Y124 I125 L126C67-F94 HydrophobicContact CB-CD1 3.47Å; C67-F94 VanDerWaalsContact CB-CD1 3.47Å; C67-F94 HydrophobicContact CB-CD2 4.36Å; C67-F94 HydrophobicContact CB-CE1 3.43Å; C67-F94 VanDerWaalsContact CB-CE1 3.43Å; C67-F94 HydrophobicContact CB-CE2 4.32Å; C67-F94 HydrophobicContact CB-CG 3.95Å; C67-F94 HydrophobicContact CB-CZ 3.87Å; C67-F94 WeakPolarHBondContact O-CA 3.38Å; V70-F94 HydrophobicContact CG2-CD1 4.17Å; V70-F94 HydrophobicContact CG2-CE1 3.95Å; L77-F94 HydrophobicContact CD1-CE1 3.78Å; L77-F94 HydrophobicContact CD1-CZ 3.79Å; Y81-F94 HydrophobicContact CE1-CE2 4.01Å; Y81-F94 AromaticContact CE1-CZ 3.79Å; Y81-F94 HydrophobicContact CE1-CZ 3.79Å; Y81-F94 AromaticContact CZ-CZ 3.78Å; Y81-F94 WeakPolarHBondContact OH-CE2 3.15Å; Y81-F94 WeakPolarHBondContact OH-CZ 3.16Å; Y92-F94 AromaticContact CD1-CE2 3.77Å; Y92-F94 HydrophobicContact CD1-CE2 3.77Å; Y92-F94 HydrophobicContact CD1-CZ 4.27Å; Y92-F94 HydrophobicContact CG-CE2 4.05Å; F94-Y98 HydrophobicContact CB-CE1 3.57Å; F94-Y98 WeakPolarHBondContact CB-OH 3.34Å; F94-Y98 HydrophobicContact CD1-CE1 4.07Å; F94-Y98 HydrophobicContact CG-CE1 4.06Å; F94-Y98 PolarHBondContact O-OH 3.29Å; F94-Q112 VanDerWaalsContact CD2-NE2 3.31Å; F94-Q112 VanDerWaalsContact CG-NE2 3.35Å; F94-F123 HydrophobicContact CD2-CE2 4.26Å; F94-F123 AromaticContact CD2-CZ 3.92Å; F94-F123 HydrophobicContact CD2-CZ 3.92Å; F94-F123 AromaticContact CE2-CE2 3.82Å; F94-F123 HydrophobicContact CE2-CE2 3.82Å; F94-F123 AromaticContact CE2-CZ 3.73Å; F94-F123 HydrophobicContact CE2-CZ 3.73Å; F94-Y124 PolarHBondContact N-O 2.83Å; F94-I125 HydrophobicContact CB-CG2 4.4Å; F94-L126 WeakPolarHBondContact O-CB 3.26Å; F94-L126 WeakPolarHBondContact O-CG 3.33Å; F94-L126 PolarHBondContact O-N 3.28Å
95L98.9Very high97.7Very high0 Ų035.8 Ų35.80%018%0.175CC..  trans-89.7-19.5-171-59.9-176.9000114.4I66 C67 L93 L126 C176 H178 A252I66-L95 HydrophobicContact CG2-CD1 3.8Å; I66-L95 HydrophobicContact CG2-CD2 3.81Å; I66-L95 HydrophobicContact CG2-CG 3.83Å; C67-L95 WeakPolarHBondContact O-CG 3.32Å; C67-L95 PolarHBondContact O-N 2.83Å; L93-L95 HydrophobicContact CG-CD2 4.34Å; L95-L126 HydrophobicContact CD2-CD1 3.84Å; L95-C176 HydrophobicContact CD2-CB 3.72Å; L95-H178 VanDerWaalsContact O-CB 3.26Å; L95-H178 WeakPolarHBondContact O-CB 3.47Å; L95-A252 HydrophobicContact CB-CB 3.84Å; L95-A252 HydrophobicContact CD1-CB 4.06Å
96G98.8Very high97.7Very high0 Ų034.8 Ų34.80%017%0.166CC..SBendtrans141.8-173.2179.700000113
97D98.9Very high97.7Very high2 Ų231.9 Ų31.91%0.01116%0.155CC..  trans5561.1175.9-72.96000113.1D69 V70 H71 G128 N129 H130 E131 H178D69-D97 HydrophobicContact CB-CB 4.19Å; D69-D97 WeakPolarHBondContact OD2-CB 3.21Å; V70-D97 PolarHBondContact N-O 2.78Å; H71-D97 IonicContact CE1-OD2 2.75Å; H71-D97 PolarHBondContact N-O 2.91Å; H71-D97 IonicContact NE2-OD2 3.75Å; D97-G128 WeakPolarHBondContact OD1-CA 3.34Å; D97-N129 PolarHBondContact OD1-N 2.84Å; D97-N129 VanDerWaalsContact OD1-N 3.15Å; D97-N129 PolarHBondContact OD1-OD1 3.03Å; D97-N129 VanDerWaalsContact OD1-OD1 3.08Å; D97-N129 PolarHBondContact OD2-OD1 3.44Å; D97-H130 HydrophobicContact CB-CB 4.42Å; D97-H130 VanDerWaalsContact CG-CD2 3.44Å; D97-H130 VanDerWaalsContact OD1-CB 3.29Å; D97-H130 WeakPolarHBondContact OD1-CB 3.49Å; D97-H130 IonicContact OD1-CD2 2.82Å; D97-H130 PolarHBondContact OD1-CD2 3.14Å; D97-H130 IonicContact OD1-CG 3.98Å; D97-H130 PolarHBondContact OD1-N 3.37Å; D97-H130 IonicContact OD2-CD2 2.71Å; D97-H130 PolarHBondContact OD2-CD2 3.37Å; D97-E131 PolarHBondContact N-OE2 3.34Å; D97-H178 IonicContact OD1-CD2 2.87Å; D97-H178 IonicContact OD1-CE1 4Å; D97-H178 PolarHBondContact OD1-CE1 3.4Å; D97-H178 IonicContact OD1-NE2 2.68Å; D97-H178 PolarHBondContact OD1-NE2 2.88Å; D97-H178 IonicContact OD2-CE1 3.73Å; D97-H178 PolarHBondContact OD2-CE1 3.03Å; D97-H178 IonicContact OD2-NE2 2.81Å; D97-H178 PolarHBondContact OD2-NE2 3.13Å
98Y98.9Very high97.8Very high0 Ų031.6 Ų31.60%015%0.153CC..  trans-82.1-35.4175.6-49.8-68.3000111.6G72 F94 V108 I109 Q112 I125 L126 E131G72-Y98 PolarHBondContact N-O 3.47Å; F94-Y98 HydrophobicContact CB-CE1 3.57Å; F94-Y98 WeakPolarHBondContact CB-OH 3.34Å; F94-Y98 HydrophobicContact CD1-CE1 4.07Å; F94-Y98 HydrophobicContact CG-CE1 4.06Å; F94-Y98 PolarHBondContact O-OH 3.29Å; Y98-V108 WeakPolarHBondContact O-CG1 3.5Å; Y98-I109 HydrophobicContact CD2-CD1 3.69Å; Y98-I109 HydrophobicContact CG-CD1 3.97Å; Y98-Q112 HydrophobicContact CD1-CG 4.04Å; Y98-Q112 HydrophobicContact CE1-CG 4.36Å; Y98-I125 WeakPolarHBondContact OH-CB 3.16Å; Y98-L126 WeakPolarHBondContact CE2-O 3.48Å; Y98-L126 PolarHBondContact OH-N 3.01Å; Y98-L126 PolarHBondContact OH-O 2.83Å; Y98-E131 VanDerWaalsContact CD2-CD 3.44Å; Y98-E131 HydrophobicContact CD2-CG 3.9Å; Y98-E131 WeakPolarHBondContact CD2-OE1 3.29Å; Y98-E131 HydrophobicContact CE2-CG 4.4Å; Y98-E131 PolarHBondContact N-OE1 2.94Å
99V98.8Very high97.9Very high0 Ų029 Ų290%014%0.136CC..SBendtrans-103.4177.6-172.4-55.30000112.3H71 I109 H130 E131 N136 F141 F161H71-V99 PolarHBondContact ND1-O 3.28Å; V99-I109 HydrophobicContact CG1-CB 4.06Å; V99-I109 HydrophobicContact CG1-CG2 4.29Å; V99-H130 HydrophobicContact CG2-CB 4.26Å; V99-E131 PolarHBondContact N-OE1 3.36Å; V99-N136 HydrophobicContact CG2-CB 4.2Å; V99-F141 HydrophobicContact CB-CB 4.08Å; V99-F141 HydrophobicContact CB-CD1 4.21Å; V99-F141 HydrophobicContact CB-CD2 3.95Å; V99-F141 HydrophobicContact CB-CE2 4.37Å; V99-F141 HydrophobicContact CB-CG 3.82Å; V99-F141 HydrophobicContact CG1-CD1 4.27Å; V99-F141 HydrophobicContact CG1-CD2 3.98Å; V99-F141 HydrophobicContact CG1-CE1 4.21Å; V99-F141 HydrophobicContact CG1-CE2 3.89Å; V99-F141 HydrophobicContact CG1-CG 4.15Å; V99-F141 HydrophobicContact CG1-CZ 4Å; V99-F141 HydrophobicContact CG2-CB 4.18Å; V99-F141 HydrophobicContact CG2-CD1 4.13Å; V99-F141 HydrophobicContact CG2-CG 4.1Å; V99-F161 HydrophobicContact CG1-CZ 3.93Å
100D98.4Very high97.9Very high0 Ų022 Ų220%010%0.098CC..SBendtrans67.5165.3-178.3-66.3-43.8000114.2H71 G102 S105 H130 N136 Y139 G140 F141H71-D100 CarbonylContact C-O 3.47Å; H71-D100 VanDerWaalsContact C-O 3.23Å; H71-D100 WeakPolarHBondContact CA-O 3.29Å; H71-D100 WeakPolarHBondContact CB-O 3.29Å; D100-G102 PolarHBondContact O-N 2.9Å; D100-S105 PolarHBondContact N-OG 3.3Å; D100-S105 VanDerWaalsContact N-OG 3.13Å; D100-H130 VanDerWaalsContact CB-ND1 3.34Å; D100-H130 WeakPolarHBondContact CB-ND1 3.24Å; D100-H130 IonicContact OD2-CE1 3.59Å; D100-H130 IonicContact OD2-CG 3.3Å; D100-H130 IonicContact OD2-ND1 3.37Å; D100-H130 PolarHBondContact OD2-ND1 3.34Å; D100-N136 WeakPolarHBondContact OD2-CA 3.27Å; D100-N136 WeakPolarHBondContact OD2-CB 3.32Å; D100-Y139 WeakPolarHBondContact CB-O 3.17Å; D100-Y139 VanDerWaalsContact CG-CB 3.46Å; D100-G140 PolarHBondContact OD1-N 3.03Å; D100-G140 VanDerWaalsContact OD1-N 3.11Å; D100-F141 WeakPolarHBondContact OD1-CB 3.47Å; D100-F141 PolarHBondContact OD1-N 2.99Å
101R96.4Very high97.9Very high119 Ų11920.5 Ų20.545%0.4499%0.089SC..SBendtrans67.5-52.4176.4-43-73.5-165.7108.75114.7H71 Y139 Y277H71-R101 HydrophobicContact CB-CB 4.18Å; H71-R101 HydrophobicContact CB-CG 4.41Å; R101-Y139 PolarHBondContact N-O 3.02Å; R101-Y277 HydrophobicContact CB-CE2 4.26Å; R101-Y277 HydrophobicContact CG-CE2 4.32Å; R101-Y277 WeakPolarHBondContact CG-OH 3.31Å; R101-Y277 PolarHBondContact NE-OH 3.21Å; R101-Y277 PolarHBondContact NH1-OH 3.01Å
102G94.9Very high98Very high22 Ų2217.9 Ų17.923%0.2278%0.08CC..SBendtrans-78.8175.7174.600000113H71 D100H71-G102 WeakPolarHBondContact O-CA 3.33Å; H71-G102 PolarHBondContact O-N 2.84Å; D100-G102 PolarHBondContact O-N 2.9Å
103K93.4Very high98Very high182 Ų18217.9 Ų17.979%0.7918%0.08SC*.SBendtrans-98-8.3-172.8-62.2-179.6-179.4177.40114.1
104R96.5Very high97.9Very high51 Ų5117.9 Ų17.919%0.1928%0.08CC..  trans-127.338-171.5-58.6-63.9-175.3-171.92.4111.4N30 E31 G72 L74 V106 E107 V108N30-R104 PolarHBondContact O-NH2 3.33Å; E31-R104 PolarHBondContact O-NH1 3.38Å; G72-R104 WeakPolarHBondContact O-CB 3.47Å; G72-R104 PolarHBondContact O-N 3.28Å; L74-R104 HydrophobicContact CB-CB 3.71Å; L74-R104 HydrophobicContact CB-CG 4.24Å; L74-R104 HydrophobicContact CD2-CB 4.34Å; R104-V106 VanDerWaalsContact C-N 3.29Å; R104-V106 PolarHBondContact O-N 3.31Å; R104-E107 VanDerWaalsContact CA-OE2 3.28Å; R104-E107 WeakPolarHBondContact CA-OE2 3.45Å; R104-E107 HydrophobicContact CB-CB 4.44Å; R104-E107 WeakPolarHBondContact CD-OE2 3.23Å; R104-E107 PolarHBondContact O-N 3.49Å; R104-V108 WeakPolarHBondContact O-CB 3.5Å; R104-V108 VanDerWaalsContact O-CG2 3.29Å; R104-V108 WeakPolarHBondContact O-CG2 3.33Å; R104-V108 PolarHBondContact O-N 3.3Å
105S97.9Very high97.9Very high0 Ų017.9 Ų17.90%08%0.08CC..Hα-helixtrans-63.1-38.8-178.5-50.10000111.3D100 V108 I109 F141 E144D100-S105 PolarHBondContact N-OG 3.3Å; D100-S105 VanDerWaalsContact N-OG 3.13Å; S105-V108 PolarHBondContact O-N 3.3Å; S105-I109 VanDerWaalsContact O-CG2 3.31Å; S105-I109 WeakPolarHBondContact O-CG2 3.18Å; S105-I109 PolarHBondContact O-N 2.99Å; S105-F141 VanDerWaalsContact CB-CD2 3.47Å; S105-E144 WeakPolarHBondContact CB-OE2 3.29Å; S105-E144 PolarHBondContact N-OE1 3.37Å; S105-E144 PolarHBondContact N-OE2 2.82Å; S105-E144 PolarHBondContact OG-OE2 3.03Å
106V97.7Very high97.9Very high0 Ų017.9 Ų17.90%08%0.08CC..Hα-helixtrans-61.3-48.5178.7174.10000110.3R104 I109 L110 F141 E144 Y149R104-V106 VanDerWaalsContact C-N 3.29Å; R104-V106 PolarHBondContact O-N 3.31Å; V106-I109 WeakPolarHBondContact O-CG2 3.46Å; V106-L110 HydrophobicContact CG1-CD1 3.66Å; V106-L110 HydrophobicContact CG1-CG 4.36Å; V106-L110 VanDerWaalsContact O-CB 3.32Å; V106-L110 WeakPolarHBondContact O-CB 3.41Å; V106-L110 WeakPolarHBondContact O-CG 3.42Å; V106-L110 PolarHBondContact O-N 2.71Å; V106-F141 HydrophobicContact CG2-CD2 4.46Å; V106-F141 HydrophobicContact CG2-CE2 3.79Å; V106-E144 HydrophobicContact CG2-CG 4.15Å; V106-E144 WeakPolarHBondContact CG2-OE1 3.36Å; V106-E144 PolarHBondContact N-OE1 3.02Å; V106-Y149 HydrophobicContact CB-CE2 4.49Å; V106-Y149 HydrophobicContact CG1-CE2 3.82Å; V106-Y149 HydrophobicContact CG2-CE2 4.44Å
107E97.9Very high97.9Very high0 Ų018.3 Ų18.30%08%0.082CC..Hα-helixtrans-64.5-43.3178-70.468-145.100112L25 S34 L74 R104 L111 R148L25-E107 HydrophobicContact CD2-CB 4.41Å; S34-E107 PolarHBondContact OG-OE1 3.41Å; L74-E107 HydrophobicContact CD1-CB 4.24Å; L74-E107 HydrophobicContact CD2-CB 3.55Å; L74-E107 HydrophobicContact CD2-CG 4Å; L74-E107 HydrophobicContact CG-CB 4.42Å; R104-E107 VanDerWaalsContact CA-OE2 3.28Å; R104-E107 WeakPolarHBondContact CA-OE2 3.45Å; R104-E107 HydrophobicContact CB-CB 4.44Å; R104-E107 WeakPolarHBondContact CD-OE2 3.23Å; R104-E107 PolarHBondContact O-N 3.49Å; E107-L111 VanDerWaalsContact O-CB 3.23Å; E107-L111 WeakPolarHBondContact O-CB 3.42Å; E107-L111 PolarHBondContact O-N 2.78Å; E107-R148 IonicContact OE1-CZ 3.07Å; E107-R148 VanDerWaalsContact OE1-CZ 3.28Å; E107-R148 IonicContact OE1-NH1 2.87Å; E107-R148 PolarHBondContact OE1-NH1 2.92Å; E107-R148 VanDerWaalsContact OE1-NH1 3.15Å; E107-R148 IonicContact OE1-NH2 3.87Å; E107-R148 PolarHBondContact OE1-NH2 3.17Å; E107-R148 IonicContact OE2-CZ 3.69Å; E107-R148 IonicContact OE2-NH1 3.14Å; E107-R148 PolarHBondContact OE2-NH1 2.76Å; E107-R148 IonicContact OE2-NH2 3.85Å
108V98.5Very high97.8Very high0 Ų020.2 Ų20.20%09%0.089CC..Hα-helixtrans-57.3-55178.3165.40000109.6V70 L74 L77 Y98 R104 S105 L110 L111 Q112V70-V108 HydrophobicContact CB-CG1 4.47Å; V70-V108 HydrophobicContact CG1-CG1 3.85Å; V70-V108 HydrophobicContact CG1-CG2 4.2Å; L74-V108 HydrophobicContact CB-CG2 3.9Å; L74-V108 HydrophobicContact CD1-CG2 4.02Å; L77-V108 HydrophobicContact CD2-CG1 4.1Å; L77-V108 HydrophobicContact CD2-CG2 4.33Å; Y98-V108 WeakPolarHBondContact O-CG1 3.5Å; R104-V108 WeakPolarHBondContact O-CB 3.5Å; R104-V108 VanDerWaalsContact O-CG2 3.29Å; R104-V108 WeakPolarHBondContact O-CG2 3.33Å; R104-V108 PolarHBondContact O-N 3.3Å; S105-V108 PolarHBondContact O-N 3.3Å; V108-L110 PolarHBondContact O-N 3.42Å; V108-L111 PolarHBondContact O-N 3.49Å; V108-Q112 HydrophobicContact CG1-CG 4.5Å; V108-Q112 VanDerWaalsContact O-CG 3.29Å; V108-Q112 WeakPolarHBondContact O-CG 3.46Å; V108-Q112 PolarHBondContact O-N 3.18Å
109I98.8Very high97.7Very high0 Ų022 Ų220%010%0.096CC..Hα-helixtrans-68.2-37.1-174.8-168.364.9000112.6Y98 V99 S105 V106 Q112 F113 F141 F157 F161Y98-I109 HydrophobicContact CD2-CD1 3.69Å; Y98-I109 HydrophobicContact CG-CD1 3.97Å; V99-I109 HydrophobicContact CG1-CB 4.06Å; V99-I109 HydrophobicContact CG1-CG2 4.29Å; S105-I109 VanDerWaalsContact O-CG2 3.31Å; S105-I109 WeakPolarHBondContact O-CG2 3.18Å; S105-I109 PolarHBondContact O-N 2.99Å; V106-I109 WeakPolarHBondContact O-CG2 3.46Å; I109-Q112 PolarHBondContact O-N 3.48Å; I109-F113 HydrophobicContact CD1-CD1 4.16Å; I109-F113 HydrophobicContact CD1-CE1 3.62Å; I109-F113 HydrophobicContact CD1-CZ 3.84Å; I109-F113 HydrophobicContact CG1-CD1 4.34Å; I109-F113 HydrophobicContact CG1-CD2 4.34Å; I109-F113 HydrophobicContact CG1-CE1 3.91Å; I109-F113 HydrophobicContact CG1-CE2 3.91Å; I109-F113 HydrophobicContact CG1-CZ 3.68Å; I109-F113 VanDerWaalsContact O-CG 3.32Å; I109-F113 WeakPolarHBondContact O-CG 3.17Å; I109-F113 PolarHBondContact O-N 3.25Å; I109-F141 HydrophobicContact CG2-CE2 4.44Å; I109-F141 HydrophobicContact CG2-CZ 4.25Å; I109-F157 HydrophobicContact CG1-CE1 4.38Å; I109-F157 HydrophobicContact CG2-CD1 4.07Å; I109-F157 HydrophobicContact CG2-CE1 3.44Å; I109-F157 VanDerWaalsContact CG2-CE1 3.44Å; I109-F157 HydrophobicContact CG2-CZ 3.72Å; I109-F161 HydrophobicContact CD1-CE1 3.75Å; I109-F161 HydrophobicContact CD1-CZ 4.4Å; I109-F161 HydrophobicContact CG1-CE1 3.67Å; I109-F161 HydrophobicContact CG1-CZ 4.03Å
110L98.6Very high97.6Very high0 Ų022.2 Ų22.20%010%0.097CC..Hα-helixtrans-64.7-40.3175.2-71.5175.2000111.7L25 L35 A40 I43 I44 V106 V108 F113 L114 F157L25-L110 HydrophobicContact CD1-CB 3.74Å; L35-L110 HydrophobicContact CD1-CD1 4.27Å; A40-L110 HydrophobicContact CB-CD1 3.99Å; A40-L110 HydrophobicContact CB-CD2 4.23Å; I43-L110 HydrophobicContact CB-CD2 4.16Å; I43-L110 HydrophobicContact CD1-CD2 4.15Å; I43-L110 HydrophobicContact CG2-CD2 3.98Å; I44-L110 HydrophobicContact CG1-CD2 4.49Å; V106-L110 HydrophobicContact CG1-CD1 3.66Å; V106-L110 HydrophobicContact CG1-CG 4.36Å; V106-L110 VanDerWaalsContact O-CB 3.32Å; V106-L110 WeakPolarHBondContact O-CB 3.41Å; V106-L110 WeakPolarHBondContact O-CG 3.42Å; V106-L110 PolarHBondContact O-N 2.71Å; V108-L110 PolarHBondContact O-N 3.42Å; L110-F113 PolarHBondContact O-N 2.89Å; L110-L114 WeakPolarHBondContact O-CB 3.42Å; L110-L114 VanDerWaalsContact O-CG 3.28Å; L110-L114 WeakPolarHBondContact O-CG 3.28Å; L110-L114 PolarHBondContact O-N 2.76Å; L110-F157 HydrophobicContact CD1-CZ 4.48Å; L110-F157 HydrophobicContact CD2-CE1 3.92Å; L110-F157 HydrophobicContact CD2-CZ 3.74Å; L110-F157 HydrophobicContact CG-CE1 4.34Å; L110-F157 HydrophobicContact CG-CZ 3.91Å
111L98.6Very high97.4Very high0 Ų025.8 Ų25.80%011%0.111CC..Hα-helixtrans-62-45.7174.3178.560.7000111.3Q22 L25 L26 L74 L77 L78 Y81 E107 V108 F113 L114 L115Q22-L111 HydrophobicContact CG-CD1 4Å; L25-L111 HydrophobicContact CD1-CB 4.36Å; L25-L111 HydrophobicContact CD2-CB 4.16Å; L26-L111 HydrophobicContact CD2-CD1 4.35Å; L26-L111 HydrophobicContact CD2-CD2 4.28Å; L74-L111 HydrophobicContact CD1-CD2 4.09Å; L77-L111 HydrophobicContact CD2-CD2 4.35Å; L78-L111 HydrophobicContact CD2-CD2 3.72Å; Y81-L111 HydrophobicContact CE2-CD2 4.33Å; E107-L111 VanDerWaalsContact O-CB 3.23Å; E107-L111 WeakPolarHBondContact O-CB 3.42Å; E107-L111 PolarHBondContact O-N 2.78Å; V108-L111 PolarHBondContact O-N 3.49Å; L111-F113 VanDerWaalsContact C-N 3.32Å; L111-F113 PolarHBondContact O-N 2.96Å; L111-L114 PolarHBondContact O-N 3.07Å; L111-L115 HydrophobicContact CD1-CD1 4.2Å; L111-L115 HydrophobicContact CD1-CG 4.2Å; L111-L115 HydrophobicContact CG-CD1 4.1Å; L111-L115 WeakPolarHBondContact O-CB 3.46Å; L111-L115 VanDerWaalsContact O-CG 3.31Å; L111-L115 WeakPolarHBondContact O-CG 2.97Å; L111-L115 PolarHBondContact O-N 3.02Å
112Q98.8Very high97.4Very high0 Ų022 Ų220%010%0.1CC..Hα-helixtrans-59.9-42.4176.2-64-60.787.400111.7Y81 F94 Y98 V108 I109 L115 K116 F123 I125Y81-Q112 PolarHBondContact OH-OE1 3.11Å; F94-Q112 VanDerWaalsContact CD2-NE2 3.31Å; F94-Q112 VanDerWaalsContact CG-NE2 3.35Å; Y98-Q112 HydrophobicContact CD1-CG 4.04Å; Y98-Q112 HydrophobicContact CE1-CG 4.36Å; V108-Q112 HydrophobicContact CG1-CG 4.5Å; V108-Q112 VanDerWaalsContact O-CG 3.29Å; V108-Q112 WeakPolarHBondContact O-CG 3.46Å; V108-Q112 PolarHBondContact O-N 3.18Å; I109-Q112 PolarHBondContact O-N 3.48Å; Q112-L115 PolarHBondContact O-N 3.48Å; Q112-K116 WeakPolarHBondContact O-CB 3.31Å; Q112-K116 PolarHBondContact O-N 2.93Å; Q112-F123 HydrophobicContact CB-CE1 4.21Å; Q112-F123 WeakPolarHBondContact O-CE1 3.31Å; Q112-I125 HydrophobicContact CB-CG2 4.33Å
113F98.8Very high97.6Very high0 Ų021 Ų210%09%0.089CC..Hα-helixtrans-65.7-42.8176.5-71.4-8000112.3I43 I47 I109 L110 L111 K116 L117 I125 F157 A160 F161 L164I43-F113 HydrophobicContact CG2-CB 3.7Å; I43-F113 HydrophobicContact CG2-CD2 4.36Å; I47-F113 HydrophobicContact CB-CB 4.34Å; I47-F113 HydrophobicContact CB-CD2 4.47Å; I47-F113 HydrophobicContact CB-CG 4.29Å; I47-F113 HydrophobicContact CG1-CB 4.13Å; I47-F113 HydrophobicContact CG1-CD1 3.91Å; I47-F113 HydrophobicContact CG1-CD2 4.5Å; I47-F113 HydrophobicContact CG1-CE1 4.42Å; I47-F113 HydrophobicContact CG1-CG 3.95Å; I47-F113 HydrophobicContact CG2-CB 4.43Å; I47-F113 HydrophobicContact CG2-CD1 4.44Å; I47-F113 HydrophobicContact CG2-CD2 3.69Å; I47-F113 HydrophobicContact CG2-CE2 3.91Å; I47-F113 HydrophobicContact CG2-CG 3.96Å; I47-F113 HydrophobicContact CG2-CZ 4.39Å; I109-F113 HydrophobicContact CD1-CD1 4.16Å; I109-F113 HydrophobicContact CD1-CE1 3.62Å; I109-F113 HydrophobicContact CD1-CZ 3.84Å; I109-F113 HydrophobicContact CG1-CD1 4.34Å; I109-F113 HydrophobicContact CG1-CD2 4.34Å; I109-F113 HydrophobicContact CG1-CE1 3.91Å; I109-F113 HydrophobicContact CG1-CE2 3.91Å; I109-F113 HydrophobicContact CG1-CZ 3.68Å; I109-F113 VanDerWaalsContact O-CG 3.32Å; I109-F113 WeakPolarHBondContact O-CG 3.17Å; I109-F113 PolarHBondContact O-N 3.25Å; L110-F113 PolarHBondContact O-N 2.89Å; L111-F113 VanDerWaalsContact C-N 3.32Å; L111-F113 PolarHBondContact O-N 2.96Å; F113-K116 WeakPolarHBondContact O-CB 3.27Å; F113-K116 PolarHBondContact O-N 2.87Å; F113-L117 WeakPolarHBondContact O-CB 3.37Å; F113-L117 VanDerWaalsContact O-CG 3.29Å; F113-L117 WeakPolarHBondContact O-CG 3.36Å; F113-L117 PolarHBondContact O-N 3.45Å; F113-I125 HydrophobicContact CD1-CD1 3.62Å; F113-I125 HydrophobicContact CE1-CD1 3.75Å; F113-F157 HydrophobicContact CD2-CE1 4.4Å; F113-F157 AromaticContact CE2-CD1 3.97Å; F113-F157 HydrophobicContact CE2-CD1 3.97Å; F113-F157 HydrophobicContact CE2-CE1 4.01Å; F113-A160 HydrophobicContact CE2-CB 3.91Å; F113-A160 HydrophobicContact CZ-CB 3.87Å; F113-F161 HydrophobicContact CZ-CD1 4.29Å; F113-F161 HydrophobicContact CZ-CE1 4.06Å; F113-L164 HydrophobicContact CE1-CD2 4.49Å
114L98.6Very high97.8Very high0 Ų013.4 Ų13.40%06%0.056CC..Hα-helixtrans-60.9-47.3175-75.6165.2000111.4W18 Q22 L25 I43 L110 L111 K116 L117 R118W18-L114 HydrophobicContact CB-CD2 4.17Å; W18-L114 HydrophobicContact CE3-CD2 4.16Å; Q22-L114 HydrophobicContact CB-CD1 4.26Å; L25-L114 HydrophobicContact CD1-CD1 4.16Å; I43-L114 HydrophobicContact CD1-CD1 3.91Å; I43-L114 HydrophobicContact CD1-CD2 3.81Å; I43-L114 HydrophobicContact CD1-CG 3.88Å; I43-L114 HydrophobicContact CG1-CD2 3.83Å; I43-L114 HydrophobicContact CG1-CG 4.25Å; I43-L114 HydrophobicContact CG2-CG 4.34Å; L110-L114 WeakPolarHBondContact O-CB 3.42Å; L110-L114 VanDerWaalsContact O-CG 3.28Å; L110-L114 WeakPolarHBondContact O-CG 3.28Å; L110-L114 PolarHBondContact O-N 2.76Å; L111-L114 PolarHBondContact O-N 3.07Å; L114-K116 VanDerWaalsContact C-N 3.27Å; L114-K116 PolarHBondContact O-N 2.95Å; L114-L117 PolarHBondContact O-N 2.87Å; L114-R118 WeakPolarHBondContact O-CB 3.29Å; L114-R118 VanDerWaalsContact O-CG 3.24Å; L114-R118 WeakPolarHBondContact O-CG 3.32Å; L114-R118 PolarHBondContact O-N 3.4Å
115L98.5Very high97.9Very high0 Ų011 Ų110%05%0.046CC..Hα-helixtrans-60.5-37.8175.6-69.1171.8000111.5Y81 W86 P87 L111 Q112 Y119 F123Y81-L115 HydrophobicContact CE2-CD1 3.85Å; W86-L115 HydrophobicContact CE3-CD2 4.44Å; W86-L115 HydrophobicContact CZ3-CD2 4.43Å; P87-L115 HydrophobicContact CB-CD2 4.44Å; P87-L115 HydrophobicContact CG-CD1 4.38Å; P87-L115 HydrophobicContact CG-CD2 4.22Å; L111-L115 HydrophobicContact CD1-CD1 4.2Å; L111-L115 HydrophobicContact CD1-CG 4.2Å; L111-L115 HydrophobicContact CG-CD1 4.1Å; L111-L115 WeakPolarHBondContact O-CB 3.46Å; L111-L115 VanDerWaalsContact O-CG 3.31Å; L111-L115 WeakPolarHBondContact O-CG 2.97Å; L111-L115 PolarHBondContact O-N 3.02Å; Q112-L115 PolarHBondContact O-N 3.48Å; L115-Y119 HydrophobicContact CD2-CD2 4.19Å; L115-Y119 HydrophobicContact CD2-CE2 3.98Å; L115-Y119 WeakPolarHBondContact O-CB 3.39Å; L115-Y119 WeakPolarHBondContact O-CD2 3.36Å; L115-Y119 PolarHBondContact O-N 2.75Å; L115-F123 HydrophobicContact CB-CD1 3.73Å; L115-F123 HydrophobicContact CB-CD2 3.98Å; L115-F123 HydrophobicContact CB-CE1 3.75Å; L115-F123 HydrophobicContact CB-CE2 4Å; L115-F123 HydrophobicContact CB-CG 3.83Å; L115-F123 HydrophobicContact CB-CZ 3.88Å; L115-F123 HydrophobicContact CD1-CD2 4.43Å; L115-F123 HydrophobicContact CD1-CE1 4.38Å; L115-F123 HydrophobicContact CD1-CE2 3.75Å; L115-F123 HydrophobicContact CD1-CZ 3.72Å; L115-F123 HydrophobicContact CG-CE2 4.49Å; L115-F123 HydrophobicContact CG-CZ 4.47Å
116K98.3Very high98Very high0 Ų011 Ų110%05%0.046CC..Hα-helixtrans-66.6-42.7174.5-179.858.5-176.2-179.20113.1I47 V50 Q54 Q112 F113 L114 R118 Y119 P120 F123 I125I47-K116 HydrophobicContact CD1-CB 3.78Å; I47-K116 HydrophobicContact CD1-CG 3.39Å; V50-K116 HydrophobicContact CG1-CG 4.47Å; Q54-K116 VanDerWaalsContact NE2-NZ 3.15Å; Q112-K116 WeakPolarHBondContact O-CB 3.31Å; Q112-K116 PolarHBondContact O-N 2.93Å; F113-K116 WeakPolarHBondContact O-CB 3.27Å; F113-K116 PolarHBondContact O-N 2.87Å; L114-K116 VanDerWaalsContact C-N 3.27Å; L114-K116 PolarHBondContact O-N 2.95Å; K116-R118 VanDerWaalsContact C-N 3.35Å; K116-Y119 CarbonylContact O-C 3.59Å; K116-P120 PolarHBondContact NZ-O 3.34Å; K116-P120 VanDerWaalsContact O-CA 3.23Å; K116-P120 WeakPolarHBondContact O-CA 3.44Å; K116-P120 WeakPolarHBondContact O-CB 3.45Å; K116-F123 HydrophobicContact CB-CD1 4.07Å; K116-F123 WeakPolarHBondContact CD-O 3.36Å; K116-F123 PolarHBondContact NZ-O 2.84Å; K116-I125 HydrophobicContact CB-CD1 4.33Å; K116-I125 HydrophobicContact CG-CD1 4.47Å
117L98.1Very high98Very high9 Ų911.1 Ų11.15%0.0475%0.047CC..Hα-helixtrans-63.3-41.5178.1-76.4169.3000111.6P10 W18 I43 A46 I47 V50 F113 L114P10-L117 WeakPolarHBondContact CD-O 3.3Å; P10-L117 WeakPolarHBondContact CG-O 3.38Å; W18-L117 HydrophobicContact CD2-CD1 4.08Å; W18-L117 HydrophobicContact CE3-CD1 4.31Å; W18-L117 HydrophobicContact CG-CB 4.19Å; W18-L117 HydrophobicContact CH2-CD1 4.45Å; W18-L117 HydrophobicContact CZ2-CD1 4.26Å; W18-L117 HydrophobicContact CZ3-CD1 4.48Å; I43-L117 HydrophobicContact CG2-CD1 4.13Å; A46-L117 HydrophobicContact CB-CD1 4.11Å; A46-L117 HydrophobicContact CB-CD2 3.93Å; I47-L117 HydrophobicContact CB-CD1 4.5Å; I47-L117 HydrophobicContact CB-CD2 4.3Å; I47-L117 HydrophobicContact CB-CG 4.35Å; I47-L117 HydrophobicContact CD1-CD2 4.16Å; I47-L117 HydrophobicContact CD1-CG 4.05Å; V50-L117 HydrophobicContact CG2-CD2 4.05Å; F113-L117 WeakPolarHBondContact O-CB 3.37Å; F113-L117 VanDerWaalsContact O-CG 3.29Å; F113-L117 WeakPolarHBondContact O-CG 3.36Å; F113-L117 PolarHBondContact O-N 3.45Å; L114-L117 PolarHBondContact O-N 2.87Å
118R97.7Very high98.1Very high41 Ų4111.1 Ų11.116%0.1555%0.047CC..Hα-helixtrans-74.7-41179.6-65.6-178.271.5-164.80.4112.6E15 W18 Q22 L114 K116 P120E15-R118 IonicContact OE1-CZ 3.5Å; E15-R118 VanDerWaalsContact OE1-CZ 3.29Å; E15-R118 IonicContact OE1-NE 3.29Å; E15-R118 PolarHBondContact OE1-NE 2.85Å; E15-R118 IonicContact OE1-NH2 2.83Å; E15-R118 PolarHBondContact OE1-NH2 3.5Å; E15-R118 WeakPolarHBondContact OE2-CA 3.34Å; E15-R118 WeakPolarHBondContact OE2-CB 3.35Å; E15-R118 WeakPolarHBondContact OE2-CG 3.39Å; E15-R118 IonicContact OE2-NE 3.33Å; W18-R118 HydrophobicContact CB-CG 3.54Å; W18-R118 HydrophobicContact CG-CG 4.43Å; Q22-R118 VanDerWaalsContact CD-NH1 3.3Å; L114-R118 WeakPolarHBondContact O-CB 3.29Å; L114-R118 VanDerWaalsContact O-CG 3.24Å; L114-R118 WeakPolarHBondContact O-CG 3.32Å; L114-R118 PolarHBondContact O-N 3.4Å; K116-R118 VanDerWaalsContact C-N 3.35Å; R118-P120 VanDerWaalsContact O-CD 3.3Å; R118-P120 WeakPolarHBondContact O-CD 3.1Å
119Y97.1Very high98.1Very high39 Ų3911.2 Ų11.215%0.1535%0.048CC..  trans-125.461-171.5-46.4-57.8000112.1P87 P88 L115 K116 Y121 D122 F123P87-Y119 HydrophobicContact CB-CD2 3.67Å; P87-Y119 HydrophobicContact CB-CE2 4.13Å; P87-Y119 HydrophobicContact CB-CG 4.37Å; P88-Y119 HydrophobicContact CB-CD1 3.69Å; P88-Y119 HydrophobicContact CB-CE1 4.12Å; P88-Y119 HydrophobicContact CB-CG 4Å; P88-Y119 HydrophobicContact CG-CD1 3.8Å; P88-Y119 HydrophobicContact CG-CE1 3.7Å; P88-Y119 HydrophobicContact CG-CG 4.47Å; L115-Y119 HydrophobicContact CD2-CD2 4.19Å; L115-Y119 HydrophobicContact CD2-CE2 3.98Å; L115-Y119 WeakPolarHBondContact O-CB 3.39Å; L115-Y119 WeakPolarHBondContact O-CD2 3.36Å; L115-Y119 PolarHBondContact O-N 2.75Å; K116-Y119 CarbonylContact O-C 3.59Å; Y119-Y121 PolarHBondContact O-N 2.85Å; Y119-D122 PolarHBondContact O-N 3.07Å; Y119-F123 WeakPolarHBondContact O-CB 3.42Å; Y119-F123 PolarHBondContact O-N 3.34Å
120P96.1Very high98.1Very high4 Ų411.6 Ų11.63%0.0265%0.049CC..THydrogen-bonded Turntrans-66.2-11.2-169.325.3-34.6000115.1P7 V50 K116 R118P7-P120 HydrophobicContact CB-CB 3.63Å; P7-P120 HydrophobicContact CB-CG 4.44Å; V50-P120 HydrophobicContact CG1-CB 4.46Å; K116-P120 PolarHBondContact NZ-O 3.34Å; K116-P120 VanDerWaalsContact O-CA 3.23Å; K116-P120 WeakPolarHBondContact O-CA 3.44Å; K116-P120 WeakPolarHBondContact O-CB 3.45Å; R118-P120 VanDerWaalsContact O-CD 3.3Å; R118-P120 WeakPolarHBondContact O-CD 3.1Å
121Y94.2Very high98.1Very high75 Ų7511.6 Ų11.629%0.2945%0.049SC..THydrogen-bonded Turntrans-107-10.2177.9-64.4-90.6000114.2T6 P7 K9 R91 Y119 Y124T6-Y121 HydrophobicContact CG2-CD1 4.36Å; T6-Y121 HydrophobicContact CG2-CE1 3.24Å; T6-Y121 VanDerWaalsContact CG2-OH 3.23Å; T6-Y121 WeakPolarHBondContact CG2-OH 3.41Å; P7-Y121 VanDerWaalsContact O-CE2 3.24Å; P7-Y121 WeakPolarHBondContact O-CE2 3.2Å; P7-Y121 PolarHBondContact O-OH 3.25Å; K9-Y121 HydrophobicContact CD-CE2 4.46Å; K9-Y121 HydrophobicContact CG-CD2 4.02Å; K9-Y121 HydrophobicContact CG-CE2 3.54Å; R91-Y121 PolarHBondContact NE-O 3.08Å; Y119-Y121 PolarHBondContact O-N 2.85Å; Y121-Y124 VanDerWaalsContact O-CE2 3.31Å; Y121-Y124 WeakPolarHBondContact O-CE2 3.29Å; Y121-Y124 PolarHBondContact O-OH 2.87Å
122D96.6Very high98.1Very high40 Ų4011.8 Ų11.821%0.2145%0.051CC..THydrogen-bonded Turntrans-123.8-4.3-176.8-58.8-64.9000111.5P88 R91 Y92 Y119P88-D122 HydrophobicContact CB-CB 4.13Å; R91-D122 CarbonylContact C-O 3.24Å; R91-D122 WeakPolarHBondContact CA-O 3.45Å; R91-D122 HydrophobicContact CB-CB 4.48Å; R91-D122 IonicContact CZ-OD1 3.45Å; R91-D122 IonicContact NE-OD1 3.54Å; R91-D122 PolarHBondContact NE-OD1 3.09Å; R91-D122 IonicContact NH2-OD1 3.7Å; R91-D122 PolarHBondContact NH2-OD1 2.89Å; Y92-D122 PolarHBondContact N-O 3.45Å; Y119-D122 PolarHBondContact O-N 3.07Å
123F98.3Very high98Very high0 Ų017 Ų170%07%0.071CC..EExtended strand (participates in β ladder)trans-129.6120175.4-156.4-98.6000109.9Y81 P87 Y92 F94 Q112 L115 K116 Y119 I125Y81-F123 HydrophobicContact CE1-CE2 4.33Å; Y81-F123 WeakPolarHBondContact OH-CE2 3.24Å; Y81-F123 VanDerWaalsContact OH-CZ 3.29Å; Y81-F123 WeakPolarHBondContact OH-CZ 3.47Å; P87-F123 HydrophobicContact CB-CD2 4.08Å; P87-F123 HydrophobicContact CG-CD2 3.47Å; P87-F123 VanDerWaalsContact CG-CD2 3.47Å; P87-F123 HydrophobicContact CG-CE2 3.74Å; Y92-F123 HydrophobicContact CD2-CD2 4.42Å; Y92-F123 HydrophobicContact CD2-CE2 4.41Å; Y92-F123 HydrophobicContact CG-CD2 4.46Å; Y92-F123 HydrophobicContact CG-CE2 4.27Å; F94-F123 HydrophobicContact CD2-CE2 4.26Å; F94-F123 AromaticContact CD2-CZ 3.92Å; F94-F123 HydrophobicContact CD2-CZ 3.92Å; F94-F123 AromaticContact CE2-CE2 3.82Å; F94-F123 HydrophobicContact CE2-CE2 3.82Å; F94-F123 AromaticContact CE2-CZ 3.73Å; F94-F123 HydrophobicContact CE2-CZ 3.73Å; Q112-F123 HydrophobicContact CB-CE1 4.21Å; Q112-F123 WeakPolarHBondContact O-CE1 3.31Å; L115-F123 HydrophobicContact CB-CD1 3.73Å; L115-F123 HydrophobicContact CB-CD2 3.98Å; L115-F123 HydrophobicContact CB-CE1 3.75Å; L115-F123 HydrophobicContact CB-CE2 4Å; L115-F123 HydrophobicContact CB-CG 3.83Å; L115-F123 HydrophobicContact CB-CZ 3.88Å; L115-F123 HydrophobicContact CD1-CD2 4.43Å; L115-F123 HydrophobicContact CD1-CE1 4.38Å; L115-F123 HydrophobicContact CD1-CE2 3.75Å; L115-F123 HydrophobicContact CD1-CZ 3.72Å; L115-F123 HydrophobicContact CG-CE2 4.49Å; L115-F123 HydrophobicContact CG-CZ 4.47Å; K116-F123 HydrophobicContact CB-CD1 4.07Å; K116-F123 WeakPolarHBondContact CD-O 3.36Å; K116-F123 PolarHBondContact NZ-O 2.84Å; Y119-F123 WeakPolarHBondContact O-CB 3.42Å; Y119-F123 PolarHBondContact O-N 3.34Å; F123-I125 HydrophobicContact CD1-CG2 3.98Å; F123-I125 HydrophobicContact CE1-CG2 3.52Å; F123-I125 HydrophobicContact CZ-CG2 4.43Å
124Y98.6Very high97.9Very high22 Ų2222 Ų229%0.0869%0.093CC..EExtended strand (participates in β ladder)trans-125.1134.1-178.2-59.3-88.7000109.1I58 V60 R91 Y92 L93 F94 Y121I58-Y124 HydrophobicContact CD1-CD1 4.1Å; I58-Y124 HydrophobicContact CG2-CD1 3.66Å; I58-Y124 HydrophobicContact CG2-CE1 3.65Å; V60-Y124 HydrophobicContact CG1-CD2 4.06Å; V60-Y124 HydrophobicContact CG1-CE2 3.8Å; V60-Y124 HydrophobicContact CG2-CD1 4.08Å; V60-Y124 HydrophobicContact CG2-CD2 4.17Å; V60-Y124 HydrophobicContact CG2-CE1 4.09Å; V60-Y124 HydrophobicContact CG2-CE2 4.23Å; V60-Y124 HydrophobicContact CG2-CG 4.09Å; R91-Y124 HydrophobicContact CG-CD2 4.23Å; R91-Y124 HydrophobicContact CG-CE2 3.98Å; Y92-Y124 WeakPolarHBondContact O-CB 3.39Å; Y92-Y124 WeakPolarHBondContact O-CD2 3.31Å; Y92-Y124 PolarHBondContact O-N 2.88Å; L93-Y124 WeakPolarHBondContact CA-O 3.46Å; F94-Y124 PolarHBondContact N-O 2.83Å; Y121-Y124 VanDerWaalsContact O-CE2 3.31Å; Y121-Y124 WeakPolarHBondContact O-CE2 3.29Å; Y121-Y124 PolarHBondContact O-OH 2.87Å
125I98.7Very high97.9Very high0 Ų023 Ų230%010%0.098CC..EExtended strand (participates in β ladder)trans-129.5125.5-179.955.3177.3000108.4L51 F94 Y98 Q112 F113 K116 F123 L164L51-I125 HydrophobicContact CD2-CD1 4.23Å; L51-I125 HydrophobicContact CD2-CG1 4.18Å; F94-I125 HydrophobicContact CB-CG2 4.4Å; Y98-I125 WeakPolarHBondContact OH-CB 3.16Å; Q112-I125 HydrophobicContact CB-CG2 4.33Å; F113-I125 HydrophobicContact CD1-CD1 3.62Å; F113-I125 HydrophobicContact CE1-CD1 3.75Å; K116-I125 HydrophobicContact CB-CD1 4.33Å; K116-I125 HydrophobicContact CG-CD1 4.47Å; F123-I125 HydrophobicContact CD1-CG2 3.98Å; F123-I125 HydrophobicContact CE1-CG2 3.52Å; F123-I125 HydrophobicContact CZ-CG2 4.43Å; I125-L164 HydrophobicContact CD1-CD2 3.83Å; I125-L164 HydrophobicContact CG1-CD2 3.87Å
126L98.9Very high97.9Very high0 Ų023 Ų230%010%0.098CC..  trans-99.2165.8173.1-54.4-176.9000110I58 L93 F94 L95 Y98 P165 C176I58-L126 HydrophobicContact CD1-CD2 3.93Å; L93-L126 HydrophobicContact CD1-CD1 4.01Å; L93-L126 HydrophobicContact CD1-CD2 4.02Å; L93-L126 HydrophobicContact CD1-CG 3.76Å; F94-L126 WeakPolarHBondContact O-CB 3.26Å; F94-L126 WeakPolarHBondContact O-CG 3.33Å; F94-L126 PolarHBondContact O-N 3.28Å; L95-L126 HydrophobicContact CD2-CD1 3.84Å; Y98-L126 WeakPolarHBondContact CE2-O 3.48Å; Y98-L126 PolarHBondContact OH-N 3.01Å; Y98-L126 PolarHBondContact OH-O 2.83Å; L126-P165 CarbonylContact C-O 3.59Å; L126-P165 WeakPolarHBondContact CA-O 3.31Å; L126-P165 HydrophobicContact CD2-CB 4.02Å; L126-C176 HydrophobicContact CD1-CB 4.42Å
127R98.9Very high97.9Very high3 Ų327.2 Ų27.21%0.01111%0.114CC..  trans-82.8130.2176.3-163.5178-175164.510.2110.5E131 F161 N162 L164 P165 L166 H178 S198 L210R127-E131 HydrophobicContact CG-CB 3.91Å; R127-E131 VanDerWaalsContact CZ-O 3.3Å; R127-E131 PolarHBondContact NE-O 2.86Å; R127-E131 PolarHBondContact NH2-O 3.01Å; R127-F161 PolarHBondContact NE-O 2.9Å; R127-N162 PolarHBondContact NH2-OD1 3.35Å; R127-L164 HydrophobicContact CB-CB 3.66Å; R127-L164 HydrophobicContact CB-CD1 4.22Å; R127-L164 HydrophobicContact CG-CB 4.04Å; R127-L164 HydrophobicContact CG-CD1 4.13Å; R127-P165 WeakPolarHBondContact CB-O 3.45Å; R127-P165 PolarHBondContact N-O 2.88Å; R127-L166 HydrophobicContact CB-CD2 4.08Å; R127-H178 WeakPolarHBondContact O-CB 3.47Å; R127-S198 PolarHBondContact NH1-O 2.58Å; R127-L210 HydrophobicContact CB-CD2 4.41Å; R127-L210 WeakPolarHBondContact O-CD2 3.24Å
128G98.8Very high97.9Very high0 Ų031.9 Ų31.90%014%0.143CC..  trans-93.9176.3162.600000112.7D97 H130 E131 H178D97-G128 WeakPolarHBondContact OD1-CA 3.34Å; G128-H130 VanDerWaalsContact C-N 3.26Å; G128-H130 PolarHBondContact O-N 2.94Å; G128-E131 WeakPolarHBondContact CA-OE2 3.42Å; G128-E131 PolarHBondContact N-OE2 2.82Å; G128-E131 PolarHBondContact O-N 2.6Å; G128-H178 VanDerWaalsContact CA-CD2 3.46Å; G128-H178 WeakPolarHBondContact CA-CD2 3.3Å; G128-H178 VanDerWaalsContact CA-CG 3.46Å
129N98.6Very high97.9Very high3 Ų335.1 Ų35.12%0.01616%0.156CC..SBendtrans-72.1-24.8175.466.2-57.5000111.6D97 E131 S132 I135 H178 L210 W211 H253D97-N129 PolarHBondContact OD1-N 2.84Å; D97-N129 VanDerWaalsContact OD1-N 3.15Å; D97-N129 PolarHBondContact OD1-OD1 3.03Å; D97-N129 VanDerWaalsContact OD1-OD1 3.08Å; D97-N129 PolarHBondContact OD2-OD1 3.44Å; N129-E131 VanDerWaalsContact C-N 3.31Å; N129-S132 WeakPolarHBondContact O-CB 3.4Å; N129-S132 PolarHBondContact O-N 3.03Å; N129-S132 PolarHBondContact O-OG 3.37Å; N129-I135 WeakPolarHBondContact O-CB 3.31Å; N129-I135 WeakPolarHBondContact O-CG1 3.44Å; N129-H178 PolarHBondContact N-CD2 3.49Å; N129-H178 VanDerWaalsContact N-CD2 3.31Å; N129-H178 PolarHBondContact OD1-CD2 2.98Å; N129-H178 VanDerWaalsContact OD1-CD2 3.28Å; N129-H178 PolarHBondContact OD1-NE2 2.95Å; N129-L210 HydrophobicContact CB-CB 4.26Å; N129-W211 HydrophobicContact CB-CD2 3.99Å; N129-W211 HydrophobicContact CB-CE3 4.47Å; N129-W211 HydrophobicContact CB-CH2 4.22Å; N129-W211 HydrophobicContact CB-CZ2 3.68Å; N129-W211 WeakPolarHBondContact ND2-CH2 3.05Å; N129-W211 VanDerWaalsContact ND2-CZ3 3.32Å; N129-W211 WeakPolarHBondContact ND2-CZ3 3.43Å; N129-H253 PolarHBondContact ND2-CE1 3.41Å; N129-H253 PolarHBondContact OD1-CE1 3.36Å; N129-H253 PolarHBondContact OD1-ND1 3.14Å
130H98.7Very high97.9Very high7 Ų734.7 Ų34.73%0.03216%0.163CC..SBendtrans-73.4-19.8172.3-75.4-97.2000112.9H71 D97 V99 D100 G128 S132 I135 N136 Y139H71-H130 AromaticContact CE1-CD2 3.6Å; H71-H130 AromaticContact CE1-CE1 3.96Å; H71-H130 AromaticContact CE1-CG 3.77Å; H71-H130 AromaticContact CE1-ND1 3.98Å; H71-H130 AromaticContact CE1-NE2 3.74Å; D97-H130 HydrophobicContact CB-CB 4.42Å; D97-H130 VanDerWaalsContact CG-CD2 3.44Å; D97-H130 VanDerWaalsContact OD1-CB 3.29Å; D97-H130 WeakPolarHBondContact OD1-CB 3.49Å; D97-H130 IonicContact OD1-CD2 2.82Å; D97-H130 PolarHBondContact OD1-CD2 3.14Å; D97-H130 IonicContact OD1-CG 3.98Å; D97-H130 PolarHBondContact OD1-N 3.37Å; D97-H130 IonicContact OD2-CD2 2.71Å; D97-H130 PolarHBondContact OD2-CD2 3.37Å; V99-H130 HydrophobicContact CG2-CB 4.26Å; D100-H130 VanDerWaalsContact CB-ND1 3.34Å; D100-H130 WeakPolarHBondContact CB-ND1 3.24Å; D100-H130 IonicContact OD2-CE1 3.59Å; D100-H130 IonicContact OD2-CG 3.3Å; D100-H130 IonicContact OD2-ND1 3.37Å; D100-H130 PolarHBondContact OD2-ND1 3.34Å; G128-H130 VanDerWaalsContact C-N 3.26Å; G128-H130 PolarHBondContact O-N 2.94Å; H130-S132 PolarHBondContact O-N 2.76Å; H130-I135 HydrophobicContact CB-CG2 4.27Å; H130-I135 WeakPolarHBondContact ND1-CG2 3.41Å; H130-N136 VanDerWaalsContact O-CB 3.27Å; H130-N136 WeakPolarHBondContact O-CB 3.27Å; H130-N136 PolarHBondContact O-ND2 3.2Å; H130-Y139 AromaticContact CE1-CG 3.76Å
131E98.8Very high98Very high0 Ų034.5 Ų34.50%016%0.162CC..SBendtrans-81.444.9166.6-69.571.6-134.800111.8D97 Y98 V99 R127 G128 N129 F161 L164D97-E131 PolarHBondContact N-OE2 3.34Å; Y98-E131 VanDerWaalsContact CD2-CD 3.44Å; Y98-E131 HydrophobicContact CD2-CG 3.9Å; Y98-E131 WeakPolarHBondContact CD2-OE1 3.29Å; Y98-E131 HydrophobicContact CE2-CG 4.4Å; Y98-E131 PolarHBondContact N-OE1 2.94Å; V99-E131 PolarHBondContact N-OE1 3.36Å; R127-E131 HydrophobicContact CG-CB 3.91Å; R127-E131 VanDerWaalsContact CZ-O 3.3Å; R127-E131 PolarHBondContact NE-O 2.86Å; R127-E131 PolarHBondContact NH2-O 3.01Å; G128-E131 WeakPolarHBondContact CA-OE2 3.42Å; G128-E131 PolarHBondContact N-OE2 2.82Å; G128-E131 PolarHBondContact O-N 2.6Å; N129-E131 VanDerWaalsContact C-N 3.31Å; E131-F161 HydrophobicContact CB-CB 4.1Å; E131-F161 HydrophobicContact CB-CD1 3.94Å; E131-F161 HydrophobicContact CB-CD2 4.13Å; E131-F161 HydrophobicContact CB-CE1 4.37Å; E131-F161 HydrophobicContact CB-CG 3.81Å; E131-F161 HydrophobicContact CG-CD1 3.73Å; E131-F161 HydrophobicContact CG-CD2 4.34Å; E131-F161 HydrophobicContact CG-CE1 3.7Å; E131-F161 HydrophobicContact CG-CE2 4.31Å; E131-F161 HydrophobicContact CG-CG 4.07Å; E131-F161 HydrophobicContact CG-CZ 4.01Å; E131-L164 HydrophobicContact CB-CD1 3.9Å; E131-L164 HydrophobicContact CG-CD1 3.9Å
132S98.4Very high98.2Very high5 Ų532 Ų324%0.03515%0.152CC..SBendtrans-134.1145174.274.90000111.5N129 H130 K134 I135 N136N129-S132 WeakPolarHBondContact O-CB 3.4Å; N129-S132 PolarHBondContact O-N 3.03Å; N129-S132 PolarHBondContact O-OG 3.37Å; H130-S132 PolarHBondContact O-N 2.76Å; S132-K134 VanDerWaalsContact C-N 3.27Å; S132-K134 PolarHBondContact O-N 3.38Å; S132-I135 PolarHBondContact O-N 2.78Å; S132-I135 VanDerWaalsContact OG-CG1 3.3Å; S132-I135 WeakPolarHBondContact OG-CG1 3.49Å; S132-N136 PolarHBondContact O-N 3.31Å; S132-N136 PolarHBondContact O-ND2 3.02Å; S132-N136 VanDerWaalsContact O-ND2 3.16Å; S132-N136 PolarHBondContact O-OD1 3.22Å
133Y97.3Very high98.3Very high108 Ų10834.5 Ų34.542%0.42416%0.163SC..Hα-helixtrans-52.9-45.2-176.1177-80.4000112.1I135 R137 W154 Q158Y133-I135 PolarHBondContact O-N 3.22Å; Y133-R137 WeakPolarHBondContact O-CB 3.21Å; Y133-R137 PolarHBondContact O-N 2.77Å; Y133-W154 AromaticContact CD2-CH2 3.44Å; Y133-W154 HydrophobicContact CD2-CH2 3.44Å; Y133-W154 VanDerWaalsContact CD2-CH2 3.44Å; Y133-W154 HydrophobicContact CD2-CZ2 4.07Å; Y133-W154 HydrophobicContact CD2-CZ3 4.09Å; Y133-W154 HydrophobicContact CE1-CH2 4.25Å; Y133-W154 AromaticContact CE2-CH2 3.15Å; Y133-W154 HydrophobicContact CE2-CH2 3.15Å; Y133-W154 HydrophobicContact CE2-CZ2 4.2Å; Y133-W154 AromaticContact CE2-CZ3 3.55Å; Y133-W154 HydrophobicContact CE2-CZ3 3.55Å; Y133-W154 HydrophobicContact CG-CH2 4.12Å; Y133-W154 HydrophobicContact CG-CZ2 4.47Å; Y133-W154 AromaticContact CZ-CH2 3.58Å; Y133-Q158 HydrophobicContact CD2-CG 4.17Å
134K97Very high98.2Very high105 Ų10535.2 Ų35.246%0.45717%0.166SC..Hα-helixtrans-66.5-37.7-174.9-69.5-178.8177.6178.20112.1S132 E202S132-K134 VanDerWaalsContact C-N 3.27Å; S132-K134 PolarHBondContact O-N 3.38Å; K134-E202 IonicContact NZ-OE1 2.77Å; K134-E202 PolarHBondContact NZ-OE1 3.03Å
135I98.2Very high98.2Very high22 Ų2234.2 Ų34.211%0.11316%0.162CC..Hα-helixtrans-82.7-55-174.7-59.4-52.2000110.5N129 H130 S132 Y133 R137 V138 Y139 W211N129-I135 WeakPolarHBondContact O-CB 3.31Å; N129-I135 WeakPolarHBondContact O-CG1 3.44Å; H130-I135 HydrophobicContact CB-CG2 4.27Å; H130-I135 WeakPolarHBondContact ND1-CG2 3.41Å; S132-I135 PolarHBondContact O-N 2.78Å; S132-I135 VanDerWaalsContact OG-CG1 3.3Å; S132-I135 WeakPolarHBondContact OG-CG1 3.49Å; Y133-I135 PolarHBondContact O-N 3.22Å; I135-R137 PolarHBondContact O-N 2.67Å; I135-V138 WeakPolarHBondContact O-CG2 3.29Å; I135-V138 PolarHBondContact O-N 2.84Å; I135-Y139 HydrophobicContact CB-CD2 4.43Å; I135-Y139 HydrophobicContact CD1-CE2 4.35Å; I135-Y139 HydrophobicContact CG2-CD2 3.52Å; I135-Y139 HydrophobicContact CG2-CE2 3.98Å; I135-Y139 HydrophobicContact CG2-CG 4.39Å; I135-Y139 WeakPolarHBondContact O-CD2 3.47Å; I135-Y139 PolarHBondContact O-N 3.21Å; I135-W211 HydrophobicContact CD1-CH2 3.5Å; I135-W211 HydrophobicContact CD1-CZ2 3.53Å; I135-W211 HydrophobicContact CG1-CH2 3.9Å; I135-W211 HydrophobicContact CG1-CZ2 3.57Å
136N98.5Very high98.1Very high0 Ų038.5 Ų38.50%018%0.181CC..Hα-helixtrans-70.2-5.2-177.467.735000114.6V99 D100 H130 S132 V138 F141 Y142 W154 Q158V99-N136 HydrophobicContact CG2-CB 4.2Å; D100-N136 WeakPolarHBondContact OD2-CA 3.27Å; D100-N136 WeakPolarHBondContact OD2-CB 3.32Å; H130-N136 VanDerWaalsContact O-CB 3.27Å; H130-N136 WeakPolarHBondContact O-CB 3.27Å; H130-N136 PolarHBondContact O-ND2 3.2Å; S132-N136 PolarHBondContact O-N 3.31Å; S132-N136 PolarHBondContact O-ND2 3.02Å; S132-N136 VanDerWaalsContact O-ND2 3.16Å; S132-N136 PolarHBondContact O-OD1 3.22Å; N136-V138 VanDerWaalsContact C-N 3.31Å; N136-F141 HydrophobicContact CB-CB 3.99Å; N136-F141 HydrophobicContact CB-CD1 4.06Å; N136-Y142 VanDerWaalsContact O-CB 3.26Å; N136-Y142 WeakPolarHBondContact O-CB 3.41Å; N136-Y142 PolarHBondContact O-N 3.32Å; N136-W154 VanDerWaalsContact OD1-CZ2 3.31Å; N136-W154 WeakPolarHBondContact OD1-CZ2 3.38Å; N136-W154 PolarHBondContact OD1-NE1 2.89Å; N136-Q158 PolarHBondContact ND2-NE2 3.47Å; N136-Q158 PolarHBondContact ND2-OE1 2.57Å; N136-Q158 PolarHBondContact OD1-NE2 2.87Å; N136-Q158 PolarHBondContact OD1-OE1 3.19Å
137R98.4Very high97.9Very high88 Ų8842.9 Ų42.933%0.33221%0.211SC..THydrogen-bonded Turntrans-68.4-28.2167.3-17555.8173.5-132.42.5113.3Y133 I135 Y142 W154Y133-R137 WeakPolarHBondContact O-CB 3.21Å; Y133-R137 PolarHBondContact O-N 2.77Å; I135-R137 PolarHBondContact O-N 2.67Å; R137-Y142 PolarHBondContact NH2-OH 2.93Å; R137-W154 HydrophobicContact CB-CH2 4.4Å; R137-W154 HydrophobicContact CB-CZ2 3.99Å
138V97.9Very high97.8Very high107 Ų10743.9 Ų43.965%0.64822%0.215SC*.THydrogen-bonded Turntrans-123.9-14.4-168.6-60.30000114.4I135 N136I135-V138 WeakPolarHBondContact O-CG2 3.29Å; I135-V138 PolarHBondContact O-N 2.84Å; N136-V138 VanDerWaalsContact C-N 3.31Å
139Y97.9Very high97.6Very high110 Ų11045.5 Ų45.543%0.43122%0.222SC..SBendtrans-100.55.2-175.4-75.3-81000115.5D100 R101 H130 I135D100-Y139 WeakPolarHBondContact CB-O 3.17Å; D100-Y139 VanDerWaalsContact CG-CB 3.46Å; R101-Y139 PolarHBondContact N-O 3.02Å; H130-Y139 AromaticContact CE1-CG 3.76Å; I135-Y139 HydrophobicContact CB-CD2 4.43Å; I135-Y139 HydrophobicContact CD1-CE2 4.35Å; I135-Y139 HydrophobicContact CG2-CD2 3.52Å; I135-Y139 HydrophobicContact CG2-CE2 3.98Å; I135-Y139 HydrophobicContact CG2-CG 4.39Å; I135-Y139 WeakPolarHBondContact O-CD2 3.47Å; I135-Y139 PolarHBondContact O-N 3.21Å
140G97.2Very high97.3Very high30 Ų3048 Ų4831%0.30924%0.235SC..SBendtrans134.3-36.916600000114.8D100 Y142 E143 E144D100-G140 PolarHBondContact OD1-N 3.03Å; D100-G140 VanDerWaalsContact OD1-N 3.11Å; G140-Y142 PolarHBondContact O-N 3.18Å; G140-E143 PolarHBondContact O-N 3.31Å; G140-E143 VanDerWaalsContact O-N 3.13Å; G140-E144 PolarHBondContact O-N 3.42Å
141F98.4Very high97.3Very high0 Ų050.3 Ų50.30%025%0.247CC..Hα-helixtrans-62.7-40-171.6-175.1-129.8000113V99 D100 S105 V106 I109 N136 E143 E144 C145 W154 F157 F161V99-F141 HydrophobicContact CB-CB 4.08Å; V99-F141 HydrophobicContact CB-CD1 4.21Å; V99-F141 HydrophobicContact CB-CD2 3.95Å; V99-F141 HydrophobicContact CB-CE2 4.37Å; V99-F141 HydrophobicContact CB-CG 3.82Å; V99-F141 HydrophobicContact CG1-CD1 4.27Å; V99-F141 HydrophobicContact CG1-CD2 3.98Å; V99-F141 HydrophobicContact CG1-CE1 4.21Å; V99-F141 HydrophobicContact CG1-CE2 3.89Å; V99-F141 HydrophobicContact CG1-CG 4.15Å; V99-F141 HydrophobicContact CG1-CZ 4Å; V99-F141 HydrophobicContact CG2-CB 4.18Å; V99-F141 HydrophobicContact CG2-CD1 4.13Å; V99-F141 HydrophobicContact CG2-CG 4.1Å; D100-F141 WeakPolarHBondContact OD1-CB 3.47Å; D100-F141 PolarHBondContact OD1-N 2.99Å; S105-F141 VanDerWaalsContact CB-CD2 3.47Å; V106-F141 HydrophobicContact CG2-CD2 4.46Å; V106-F141 HydrophobicContact CG2-CE2 3.79Å; I109-F141 HydrophobicContact CG2-CE2 4.44Å; I109-F141 HydrophobicContact CG2-CZ 4.25Å; N136-F141 HydrophobicContact CB-CB 3.99Å; N136-F141 HydrophobicContact CB-CD1 4.06Å; F141-E143 PolarHBondContact O-N 3.44Å; F141-E144 WeakPolarHBondContact O-CB 3.14Å; F141-E144 PolarHBondContact O-N 3.32Å; F141-C145 PolarHBondContact O-N 3.35Å; F141-C145 PolarHBondContact O-SG 3.19Å; F141-W154 AromaticContact CD1-CD1 3.7Å; F141-F157 HydrophobicContact CE1-CB 3.87Å; F141-F157 AromaticContact CE1-CD2 3.96Å; F141-F157 HydrophobicContact CE1-CD2 3.96Å; F141-F157 AromaticContact CE1-CG 3.99Å; F141-F157 HydrophobicContact CE1-CG 3.99Å; F141-F157 HydrophobicContact CE2-CD2 4.46Å; F141-F157 HydrophobicContact CE2-CE2 4.48Å; F141-F157 HydrophobicContact CZ-CB 4.13Å; F141-F157 HydrophobicContact CZ-CD1 4.3Å; F141-F157 AromaticContact CZ-CD2 3.44Å; F141-F157 HydrophobicContact CZ-CD2 3.44Å; F141-F157 VanDerWaalsContact CZ-CD2 3.44Å; F141-F157 AromaticContact CZ-CE2 3.8Å; F141-F157 HydrophobicContact CZ-CE2 3.8Å; F141-F157 AromaticContact CZ-CG 3.71Å; F141-F157 HydrophobicContact CZ-CG 3.71Å; F141-F157 HydrophobicContact CZ-CZ 4.39Å; F141-F161 HydrophobicContact CD1-CE2 4.17Å; F141-F161 AromaticContact CE1-CE2 3.63Å; F141-F161 HydrophobicContact CE1-CE2 3.63Å; F141-F161 AromaticContact CE1-CZ 3.88Å; F141-F161 HydrophobicContact CE1-CZ 3.88Å; F141-F161 HydrophobicContact CZ-CE2 4.46Å; F141-F161 HydrophobicContact CZ-CZ 4.28Å
142Y98.5Very high97.2Very high21 Ų2153 Ų538%0.08227%0.266CS..Hα-helixtrans-57.9-46.9174.5171.8-101.7000112.9N136 R137 G140 E144 K146 I151 W154N136-Y142 VanDerWaalsContact O-CB 3.26Å; N136-Y142 WeakPolarHBondContact O-CB 3.41Å; N136-Y142 PolarHBondContact O-N 3.32Å; R137-Y142 PolarHBondContact NH2-OH 2.93Å; G140-Y142 PolarHBondContact O-N 3.18Å; Y142-E144 VanDerWaalsContact C-N 3.35Å; Y142-K146 HydrophobicContact CE1-CD 3.93Å; Y142-K146 WeakPolarHBondContact O-CB 3.21Å; Y142-K146 PolarHBondContact O-N 3.5Å; Y142-I151 HydrophobicContact CE2-CG1 4.1Å; Y142-I151 HydrophobicContact CE2-CG2 4Å; Y142-I151 WeakPolarHBondContact OH-CD1 3.42Å; Y142-W154 HydrophobicContact CD2-CB 4.44Å; Y142-W154 AromaticContact CD2-CD2 3.51Å; Y142-W154 HydrophobicContact CD2-CD2 3.51Å; Y142-W154 AromaticContact CD2-CE2 3.76Å; Y142-W154 AromaticContact CD2-CE3 3.72Å; Y142-W154 HydrophobicContact CD2-CE3 3.72Å; Y142-W154 AromaticContact CD2-CG 3.83Å; Y142-W154 HydrophobicContact CD2-CG 3.83Å; Y142-W154 HydrophobicContact CD2-CH2 4.32Å; Y142-W154 HydrophobicContact CD2-CZ2 4.17Å; Y142-W154 HydrophobicContact CD2-CZ3 4.13Å; Y142-W154 HydrophobicContact CE2-CD2 4.26Å; Y142-W154 HydrophobicContact CE2-CE3 4.02Å; Y142-W154 HydrophobicContact CE2-CZ3 4.31Å; Y142-W154 HydrophobicContact CG-CD2 4.47Å
143E98Very high97.2Very high94 Ų9452.8 Ų52.844%0.43926%0.264SS..Hα-helixtrans-71.7-32.2178.4-67.8-60.1149.800111.4G140 F141 K146 S147G140-E143 PolarHBondContact O-N 3.31Å; G140-E143 VanDerWaalsContact O-N 3.13Å; F141-E143 PolarHBondContact O-N 3.44Å; E143-K146 PolarHBondContact O-N 3.47Å; E143-K146 IonicContact OE1-NZ 3.17Å; E143-K146 PolarHBondContact OE1-NZ 3.05Å; E143-K146 IonicContact OE2-NZ 3.17Å; E143-K146 PolarHBondContact OE2-NZ 3.09Å; E143-S147 VanDerWaalsContact O-CB 3.23Å; E143-S147 WeakPolarHBondContact O-CB 3.34Å; E143-S147 PolarHBondContact O-N 3.24Å; E143-S147 PolarHBondContact O-OG 3.48Å
144E96.9Very high97.3Very high15 Ų1547.6 Ų47.67%0.0724%0.244CC..Hα-helixtrans-59.7-53.9172-172.3-178.215500111.2S105 V106 G140 F141 Y142 K146 S147 R148S105-E144 WeakPolarHBondContact CB-OE2 3.29Å; S105-E144 PolarHBondContact N-OE1 3.37Å; S105-E144 PolarHBondContact N-OE2 2.82Å; S105-E144 PolarHBondContact OG-OE2 3.03Å; V106-E144 HydrophobicContact CG2-CG 4.15Å; V106-E144 WeakPolarHBondContact CG2-OE1 3.36Å; V106-E144 PolarHBondContact N-OE1 3.02Å; G140-E144 PolarHBondContact O-N 3.42Å; F141-E144 WeakPolarHBondContact O-CB 3.14Å; F141-E144 PolarHBondContact O-N 3.32Å; Y142-E144 VanDerWaalsContact C-N 3.35Å; E144-K146 PolarHBondContact O-N 3.06Å; E144-S147 PolarHBondContact O-N 3.48Å; E144-S147 PolarHBondContact O-OG 3.42Å; E144-R148 WeakPolarHBondContact O-CB 3.36Å; E144-R148 WeakPolarHBondContact O-CG 3.09Å; E144-R148 PolarHBondContact O-N 3.32Å; E144-R148 IonicContact OE1-NH1 3.79Å; E144-R148 PolarHBondContact OE1-NH1 3.02Å
145C97.7Very high97.3Very high0 Ų050.1 Ų50.10%025%0.25CS..Hα-helixtrans-60.2-46.9176.3-69.10000112F141 S147 Y149 D150 W154F141-C145 PolarHBondContact O-N 3.35Å; F141-C145 PolarHBondContact O-SG 3.19Å; C145-S147 VanDerWaalsContact C-N 3.33Å; C145-S147 PolarHBondContact O-N 3.04Å; C145-Y149 CarbonylContact O-C 3.18Å; C145-Y149 VanDerWaalsContact O-C 3.24Å; C145-Y149 VanDerWaalsContact O-CA 3.26Å; C145-Y149 WeakPolarHBondContact O-CA 3.4Å; C145-Y149 WeakPolarHBondContact O-CB 3.48Å; C145-Y149 PolarHBondContact O-N 3.17Å; C145-D150 PolarHBondContact O-N 2.8Å; C145-D150 VanDerWaalsContact O-N 3.12Å; C145-W154 HydrophobicContact CB-CB 3.68Å
146K96.8Very high97.3Very high90 Ų9050.3 Ų50.339%0.39125%0.251SS..Hα-helixtrans-63.9-36-177.5173.1179.7154.3-1360113.2Y142 E143 E144 I151Y142-K146 HydrophobicContact CE1-CD 3.93Å; Y142-K146 WeakPolarHBondContact O-CB 3.21Å; Y142-K146 PolarHBondContact O-N 3.5Å; E143-K146 PolarHBondContact O-N 3.47Å; E143-K146 IonicContact OE1-NZ 3.17Å; E143-K146 PolarHBondContact OE1-NZ 3.05Å; E143-K146 IonicContact OE2-NZ 3.17Å; E143-K146 PolarHBondContact OE2-NZ 3.09Å; E144-K146 PolarHBondContact O-N 3.06Å; K146-I151 HydrophobicContact CB-CG1 3.97Å; K146-I151 HydrophobicContact CD-CD1 4.04Å; K146-I151 HydrophobicContact CD-CG1 4.01Å; K146-I151 HydrophobicContact CG-CD1 4.23Å; K146-I151 HydrophobicContact CG-CG1 3.82Å
147S95.7Very high97.4Very high92 Ų9250.3 Ų50.364%0.64325%0.251SS*.Hα-helixtrans-82.4-37.1-177.658.10000112.9E143 E144 C145E143-S147 VanDerWaalsContact O-CB 3.23Å; E143-S147 WeakPolarHBondContact O-CB 3.34Å; E143-S147 PolarHBondContact O-N 3.24Å; E143-S147 PolarHBondContact O-OG 3.48Å; E144-S147 PolarHBondContact O-N 3.48Å; E144-S147 PolarHBondContact O-OG 3.42Å; C145-S147 VanDerWaalsContact C-N 3.33Å; C145-S147 PolarHBondContact O-N 3.04Å
148R95.4Very high97.4Very high25 Ų2546.6 Ų46.69%0.09424%0.237CC..Hα-helixtrans-93.6-23.4-175.8-59.3172.166.4-163-2.6112.9E31 D32 Q33 E107 E144E31-R148 PolarHBondContact O-NH2 3.11Å; D32-R148 VanDerWaalsContact C-NH2 3.27Å; D32-R148 PolarHBondContact O-NE 2.81Å; D32-R148 PolarHBondContact O-NH2 3.04Å; Q33-R148 WeakPolarHBondContact CG-O 3.46Å; Q33-R148 PolarHBondContact NE2-O 3.24Å; E107-R148 IonicContact OE1-CZ 3.07Å; E107-R148 VanDerWaalsContact OE1-CZ 3.28Å; E107-R148 IonicContact OE1-NH1 2.87Å; E107-R148 PolarHBondContact OE1-NH1 2.92Å; E107-R148 VanDerWaalsContact OE1-NH1 3.15Å; E107-R148 IonicContact OE1-NH2 3.87Å; E107-R148 PolarHBondContact OE1-NH2 3.17Å; E107-R148 IonicContact OE2-CZ 3.69Å; E107-R148 IonicContact OE2-NH1 3.14Å; E107-R148 PolarHBondContact OE2-NH1 2.76Å; E107-R148 IonicContact OE2-NH2 3.85Å; E144-R148 WeakPolarHBondContact O-CB 3.36Å; E144-R148 WeakPolarHBondContact O-CG 3.09Å; E144-R148 PolarHBondContact O-N 3.32Å; E144-R148 IonicContact OE1-NH1 3.79Å; E144-R148 PolarHBondContact OE1-NH1 3.02Å
149Y95.5Very high97.4Very high34 Ų3445.8 Ų45.813%0.13323%0.229CC..SBendtrans-135.3-113.1-178.3-63.6-90.4000108.8L35 M37 V106 C145 L153L35-Y149 WeakPolarHBondContact O-CE1 3.26Å; L35-Y149 PolarHBondContact O-OH 3.44Å; M37-Y149 HydrophobicContact CB-CD1 4.29Å; V106-Y149 HydrophobicContact CB-CE2 4.49Å; V106-Y149 HydrophobicContact CG1-CE2 3.82Å; V106-Y149 HydrophobicContact CG2-CE2 4.44Å; C145-Y149 CarbonylContact O-C 3.18Å; C145-Y149 VanDerWaalsContact O-C 3.24Å; C145-Y149 VanDerWaalsContact O-CA 3.26Å; C145-Y149 WeakPolarHBondContact O-CA 3.4Å; C145-Y149 WeakPolarHBondContact O-CB 3.48Å; C145-Y149 PolarHBondContact O-N 3.17Å; Y149-L153 HydrophobicContact CD1-CD2 3.79Å; Y149-L153 HydrophobicContact CD2-CD2 3.6Å; Y149-L153 HydrophobicContact CE1-CD2 4.36Å; Y149-L153 HydrophobicContact CE2-CD2 4.22Å; Y149-L153 HydrophobicContact CG-CD2 3.37Å
150D93Very high97.5Very high56 Ų5640.5 Ų40.530%0.29921%0.208SC..  trans-149.5177.4169.168.833000111.4M37 C145 S152 L153M37-D150 WeakPolarHBondContact CE-OD1 3.04Å; M37-D150 WeakPolarHBondContact CE-OD2 3.26Å; M37-D150 VanDerWaalsContact SD-OD2 3.36Å; C145-D150 PolarHBondContact O-N 2.8Å; C145-D150 VanDerWaalsContact O-N 3.12Å; D150-S152 VanDerWaalsContact CG-OG 3.26Å; D150-S152 PolarHBondContact O-N 3.03Å; D150-S152 VanDerWaalsContact OD1-CA 3.25Å; D150-S152 WeakPolarHBondContact OD1-CA 3.41Å; D150-S152 VanDerWaalsContact OD1-CB 3.25Å; D150-S152 WeakPolarHBondContact OD1-CB 3.25Å; D150-S152 PolarHBondContact OD1-N 3.31Å; D150-S152 PolarHBondContact OD1-OG 3.28Å; D150-S152 PolarHBondContact OD2-OG 3.23Å; D150-L153 PolarHBondContact O-N 2.85Å; D150-L153 PolarHBondContact OD1-N 2.98Å
151I97.3Very high97.5Very high55 Ų5539.1 Ų39.128%0.28219%0.194SC..Hα-helixtrans-69.8-23.5179.7-65.6166.4000112Y142 K146 W154 R155Y142-I151 HydrophobicContact CE2-CG1 4.1Å; Y142-I151 HydrophobicContact CE2-CG2 4Å; Y142-I151 WeakPolarHBondContact OH-CD1 3.42Å; K146-I151 HydrophobicContact CB-CG1 3.97Å; K146-I151 HydrophobicContact CD-CD1 4.04Å; K146-I151 HydrophobicContact CD-CG1 4.01Å; K146-I151 HydrophobicContact CG-CD1 4.23Å; K146-I151 HydrophobicContact CG-CG1 3.82Å; I151-W154 PolarHBondContact O-N 3.3Å; I151-R155 HydrophobicContact CG2-CG 4.49Å; I151-R155 WeakPolarHBondContact O-CG 3.34Å; I151-R155 PolarHBondContact O-N 3.16Å; I151-R155 VanDerWaalsContact O-N 3.09Å
152S98Very high97.5Very high56 Ų5640.6 Ų40.639%0.39220%0.202SC..Hα-helixtrans-70-35.8179.980.20000111.6M37 D150 W154 R155 H156M37-S152 WeakPolarHBondContact CE-OG 3.46Å; D150-S152 VanDerWaalsContact CG-OG 3.26Å; D150-S152 PolarHBondContact O-N 3.03Å; D150-S152 VanDerWaalsContact OD1-CA 3.25Å; D150-S152 WeakPolarHBondContact OD1-CA 3.41Å; D150-S152 VanDerWaalsContact OD1-CB 3.25Å; D150-S152 WeakPolarHBondContact OD1-CB 3.25Å; D150-S152 PolarHBondContact OD1-N 3.31Å; D150-S152 PolarHBondContact OD1-OG 3.28Å; D150-S152 PolarHBondContact OD2-OG 3.23Å; S152-W154 PolarHBondContact O-N 2.99Å; S152-R155 WeakPolarHBondContact O-CB 3.2Å; S152-R155 PolarHBondContact O-N 2.95Å; S152-H156 WeakPolarHBondContact O-CB 3.48Å; S152-H156 PolarHBondContact O-N 2.87Å
153L98Very high97.6Very high0 Ų039.8 Ų39.80%020%0.199CC..Hα-helixtrans-59.9-46.1171.3-17964000111.6A40 I44 Y149 D150 R155 H156 F157A40-L153 HydrophobicContact CB-CD1 3.89Å; I44-L153 HydrophobicContact CD1-CD1 3.63Å; Y149-L153 HydrophobicContact CD1-CD2 3.79Å; Y149-L153 HydrophobicContact CD2-CD2 3.6Å; Y149-L153 HydrophobicContact CE1-CD2 4.36Å; Y149-L153 HydrophobicContact CE2-CD2 4.22Å; Y149-L153 HydrophobicContact CG-CD2 3.37Å; D150-L153 PolarHBondContact O-N 2.85Å; D150-L153 PolarHBondContact OD1-N 2.98Å; L153-R155 VanDerWaalsContact C-N 3.31Å; L153-R155 PolarHBondContact O-N 3.47Å; L153-H156 WeakPolarHBondContact O-CB 3.4Å; L153-H156 PolarHBondContact O-N 2.74Å; L153-H156 VanDerWaalsContact O-N 3.07Å; L153-F157 HydrophobicContact CD1-CD2 4.2Å; L153-F157 HydrophobicContact CD1-CE2 3.77Å; L153-F157 HydrophobicContact CD1-CZ 4.41Å; L153-F157 HydrophobicContact CD2-CE2 4.03Å; L153-F157 HydrophobicContact CG-CD2 3.97Å; L153-F157 HydrophobicContact CG-CE2 3.65Å; L153-F157 VanDerWaalsContact O-CD2 3.3Å; L153-F157 WeakPolarHBondContact O-CD2 3.47Å; L153-F157 PolarHBondContact O-N 3.04Å
154W98.4Very high97.6Very high0 Ų035.3 Ų35.30%018%0.178CC..Hα-helixtrans-58.5-43.5175.9175.178.9000112Y133 N136 R137 F141 Y142 C145 I151 S152 H156 F157 Q158Y133-W154 AromaticContact CD2-CH2 3.44Å; Y133-W154 HydrophobicContact CD2-CH2 3.44Å; Y133-W154 VanDerWaalsContact CD2-CH2 3.44Å; Y133-W154 HydrophobicContact CD2-CZ2 4.07Å; Y133-W154 HydrophobicContact CD2-CZ3 4.09Å; Y133-W154 HydrophobicContact CE1-CH2 4.25Å; Y133-W154 AromaticContact CE2-CH2 3.15Å; Y133-W154 HydrophobicContact CE2-CH2 3.15Å; Y133-W154 HydrophobicContact CE2-CZ2 4.2Å; Y133-W154 AromaticContact CE2-CZ3 3.55Å; Y133-W154 HydrophobicContact CE2-CZ3 3.55Å; Y133-W154 HydrophobicContact CG-CH2 4.12Å; Y133-W154 HydrophobicContact CG-CZ2 4.47Å; Y133-W154 AromaticContact CZ-CH2 3.58Å; N136-W154 VanDerWaalsContact OD1-CZ2 3.31Å; N136-W154 WeakPolarHBondContact OD1-CZ2 3.38Å; N136-W154 PolarHBondContact OD1-NE1 2.89Å; R137-W154 HydrophobicContact CB-CH2 4.4Å; R137-W154 HydrophobicContact CB-CZ2 3.99Å; F141-W154 AromaticContact CD1-CD1 3.7Å; Y142-W154 HydrophobicContact CD2-CB 4.44Å; Y142-W154 AromaticContact CD2-CD2 3.51Å; Y142-W154 HydrophobicContact CD2-CD2 3.51Å; Y142-W154 AromaticContact CD2-CE2 3.76Å; Y142-W154 AromaticContact CD2-CE3 3.72Å; Y142-W154 HydrophobicContact CD2-CE3 3.72Å; Y142-W154 AromaticContact CD2-CG 3.83Å; Y142-W154 HydrophobicContact CD2-CG 3.83Å; Y142-W154 HydrophobicContact CD2-CH2 4.32Å; Y142-W154 HydrophobicContact CD2-CZ2 4.17Å; Y142-W154 HydrophobicContact CD2-CZ3 4.13Å; Y142-W154 HydrophobicContact CE2-CD2 4.26Å; Y142-W154 HydrophobicContact CE2-CE3 4.02Å; Y142-W154 HydrophobicContact CE2-CZ3 4.31Å; Y142-W154 HydrophobicContact CG-CD2 4.47Å; C145-W154 HydrophobicContact CB-CB 3.68Å; I151-W154 PolarHBondContact O-N 3.3Å; S152-W154 PolarHBondContact O-N 2.99Å; W154-H156 VanDerWaalsContact C-N 3.28Å; W154-H156 PolarHBondContact O-N 3.22Å; W154-F157 PolarHBondContact O-N 3.22Å; W154-Q158 HydrophobicContact CD2-CG 4.35Å; W154-Q158 HydrophobicContact CZ2-CG 4.32Å; W154-Q158 VanDerWaalsContact O-CG 3.3Å; W154-Q158 WeakPolarHBondContact O-CG 3.29Å; W154-Q158 PolarHBondContact O-N 3.22Å; W154-Q158 PolarHBondContact O-NE2 2.91Å
155R98.5Very high97.7Very high158 Ų15834.6 Ų34.660%0.59618%0.175SC*.Hα-helixtrans-62.3-38.3175.5-70.2175.9179.8176.3-0.1111.4I151 S152 L153 Q158 N159I151-R155 HydrophobicContact CG2-CG 4.49Å; I151-R155 WeakPolarHBondContact O-CG 3.34Å; I151-R155 PolarHBondContact O-N 3.16Å; I151-R155 VanDerWaalsContact O-N 3.09Å; S152-R155 WeakPolarHBondContact O-CB 3.2Å; S152-R155 PolarHBondContact O-N 2.95Å; L153-R155 VanDerWaalsContact C-N 3.31Å; L153-R155 PolarHBondContact O-N 3.47Å; R155-Q158 WeakPolarHBondContact O-CB 3.29Å; R155-Q158 PolarHBondContact O-N 3.35Å; R155-N159 PolarHBondContact O-N 3.5Å
156H98.6Very high97.7Very high26 Ų2634.7 Ų34.712%0.1218%0.175CC..Hα-helixtrans-64.7-44.2178.5-159.4179.3000111.3D41 I44 D45 S152 L153 W154 Q158 N159 A160D41-H156 PolarHBondContact O-CE1 3.16Å; D41-H156 IonicContact OD1-CE1 3.18Å; D41-H156 IonicContact OD1-CG 3.79Å; D41-H156 IonicContact OD1-ND1 3.44Å; D41-H156 PolarHBondContact OD1-ND1 2.85Å; I44-H156 HydrophobicContact CD1-CB 4.19Å; I44-H156 HydrophobicContact CG2-CB 4.4Å; I44-H156 WeakPolarHBondContact CG2-CD2 3.44Å; I44-H156 WeakPolarHBondContact CG2-NE2 3.13Å; D45-H156 IonicContact OD1-CE1 3.02Å; D45-H156 PolarHBondContact OD1-CE1 2.83Å; D45-H156 IonicContact OD1-NE2 2.81Å; D45-H156 PolarHBondContact OD1-NE2 3.36Å; D45-H156 VanDerWaalsContact OD1-NE2 3.14Å; D45-H156 IonicContact OD2-CE1 3.91Å; S152-H156 WeakPolarHBondContact O-CB 3.48Å; S152-H156 PolarHBondContact O-N 2.87Å; L153-H156 WeakPolarHBondContact O-CB 3.4Å; L153-H156 PolarHBondContact O-N 2.74Å; L153-H156 VanDerWaalsContact O-N 3.07Å; W154-H156 VanDerWaalsContact C-N 3.28Å; W154-H156 PolarHBondContact O-N 3.22Å; H156-Q158 PolarHBondContact O-N 2.8Å; H156-N159 VanDerWaalsContact O-CB 3.31Å; H156-N159 WeakPolarHBondContact O-CB 3.45Å; H156-N159 PolarHBondContact O-N 2.94Å; H156-A160 PolarHBondContact O-N 3.29Å
157F98.8Very high97.8Very high0 Ų030.4 Ų30.40%016%0.157CC..Hα-helixtrans-56.2-36.4171.5-79.9-64000113I44 I109 L110 F113 F141 L153 W154 N159 A160 F161I44-F157 HydrophobicContact CD1-CD1 3.7Å; I44-F157 HydrophobicContact CD1-CD2 4.05Å; I44-F157 HydrophobicContact CD1-CE1 3.58Å; I44-F157 HydrophobicContact CD1-CE2 3.97Å; I44-F157 HydrophobicContact CD1-CG 3.93Å; I44-F157 HydrophobicContact CD1-CZ 3.73Å; I44-F157 HydrophobicContact CG1-CD1 3.95Å; I44-F157 HydrophobicContact CG1-CE1 3.74Å; I44-F157 HydrophobicContact CG1-CZ 4.29Å; I109-F157 HydrophobicContact CG1-CE1 4.38Å; I109-F157 HydrophobicContact CG2-CD1 4.07Å; I109-F157 HydrophobicContact CG2-CE1 3.44Å; I109-F157 VanDerWaalsContact CG2-CE1 3.44Å; I109-F157 HydrophobicContact CG2-CZ 3.72Å; L110-F157 HydrophobicContact CD1-CZ 4.48Å; L110-F157 HydrophobicContact CD2-CE1 3.92Å; L110-F157 HydrophobicContact CD2-CZ 3.74Å; L110-F157 HydrophobicContact CG-CE1 4.34Å; L110-F157 HydrophobicContact CG-CZ 3.91Å; F113-F157 HydrophobicContact CD2-CE1 4.4Å; F113-F157 AromaticContact CE2-CD1 3.97Å; F113-F157 HydrophobicContact CE2-CD1 3.97Å; F113-F157 HydrophobicContact CE2-CE1 4.01Å; F141-F157 HydrophobicContact CE1-CB 3.87Å; F141-F157 AromaticContact CE1-CD2 3.96Å; F141-F157 HydrophobicContact CE1-CD2 3.96Å; F141-F157 AromaticContact CE1-CG 3.99Å; F141-F157 HydrophobicContact CE1-CG 3.99Å; F141-F157 HydrophobicContact CE2-CD2 4.46Å; F141-F157 HydrophobicContact CE2-CE2 4.48Å; F141-F157 HydrophobicContact CZ-CB 4.13Å; F141-F157 HydrophobicContact CZ-CD1 4.3Å; F141-F157 AromaticContact CZ-CD2 3.44Å; F141-F157 HydrophobicContact CZ-CD2 3.44Å; F141-F157 VanDerWaalsContact CZ-CD2 3.44Å; F141-F157 AromaticContact CZ-CE2 3.8Å; F141-F157 HydrophobicContact CZ-CE2 3.8Å; F141-F157 AromaticContact CZ-CG 3.71Å; F141-F157 HydrophobicContact CZ-CG 3.71Å; F141-F157 HydrophobicContact CZ-CZ 4.39Å; L153-F157 HydrophobicContact CD1-CD2 4.2Å; L153-F157 HydrophobicContact CD1-CE2 3.77Å; L153-F157 HydrophobicContact CD1-CZ 4.41Å; L153-F157 HydrophobicContact CD2-CE2 4.03Å; L153-F157 HydrophobicContact CG-CD2 3.97Å; L153-F157 HydrophobicContact CG-CE2 3.65Å; L153-F157 VanDerWaalsContact O-CD2 3.3Å; L153-F157 WeakPolarHBondContact O-CD2 3.47Å; L153-F157 PolarHBondContact O-N 3.04Å; W154-F157 PolarHBondContact O-N 3.22Å; F157-N159 PolarHBondContact O-N 3.33Å; F157-A160 PolarHBondContact O-N 3.06Å; F157-A160 VanDerWaalsContact O-N 3.11Å; F157-F161 HydrophobicContact CB-CD2 4.46Å; F157-F161 HydrophobicContact CB-CE2 4.03Å; F157-F161 HydrophobicContact CB-CZ 4.17Å; F157-F161 HydrophobicContact CD1-CZ 4.4Å; F157-F161 VanDerWaalsContact O-CG 3.25Å; F157-F161 WeakPolarHBondContact O-CG 3.34Å; F157-F161 PolarHBondContact O-N 3.42Å
158Q98.8Very high97.9Very high9 Ų926 Ų264%0.04213%0.126CC..Hα-helixtrans-62.5-33.6177.3-52.8-40.7-59.800112.3Y133 N136 W154 R155 H156 F161 N162Y133-Q158 HydrophobicContact CD2-CG 4.17Å; N136-Q158 PolarHBondContact ND2-NE2 3.47Å; N136-Q158 PolarHBondContact ND2-OE1 2.57Å; N136-Q158 PolarHBondContact OD1-NE2 2.87Å; N136-Q158 PolarHBondContact OD1-OE1 3.19Å; W154-Q158 HydrophobicContact CD2-CG 4.35Å; W154-Q158 HydrophobicContact CZ2-CG 4.32Å; W154-Q158 VanDerWaalsContact O-CG 3.3Å; W154-Q158 WeakPolarHBondContact O-CG 3.29Å; W154-Q158 PolarHBondContact O-N 3.22Å; W154-Q158 PolarHBondContact O-NE2 2.91Å; R155-Q158 WeakPolarHBondContact O-CB 3.29Å; R155-Q158 PolarHBondContact O-N 3.35Å; H156-Q158 PolarHBondContact O-N 2.8Å; Q158-F161 PolarHBondContact O-N 2.9Å; Q158-N162 WeakPolarHBondContact O-CB 3.49Å; Q158-N162 PolarHBondContact O-N 2.83Å; Q158-N162 PolarHBondContact O-ND2 3.22Å
159N98.5Very high98.1Very high90 Ų9025.3 Ų25.348%0.48112%0.124SC..Hα-helixtrans-62.5-44.5174.6-62.7-27.4000110.9I48 R155 H156 F157 C163I48-N159 HydrophobicContact CD1-CB 4.02Å; R155-N159 PolarHBondContact O-N 3.5Å; H156-N159 VanDerWaalsContact O-CB 3.31Å; H156-N159 WeakPolarHBondContact O-CB 3.45Å; H156-N159 PolarHBondContact O-N 2.94Å; F157-N159 PolarHBondContact O-N 3.33Å; N159-C163 PolarHBondContact O-SG 2.99Å
160A98.8Very high98.2Very high0 Ų023.7 Ų23.70%012%0.118CC..Hα-helixtrans-66.9-43.2175.400000112.9I44 I47 I48 F113 H156 F157 N162 C163 L164I44-A160 HydrophobicContact CG2-CB 3.94Å; I47-A160 HydrophobicContact CG2-CB 4.28Å; I48-A160 HydrophobicContact CD1-CB 4.46Å; I48-A160 HydrophobicContact CG1-CB 3.96Å; F113-A160 HydrophobicContact CE2-CB 3.91Å; F113-A160 HydrophobicContact CZ-CB 3.87Å; H156-A160 PolarHBondContact O-N 3.29Å; F157-A160 PolarHBondContact O-N 3.06Å; F157-A160 VanDerWaalsContact O-N 3.11Å; A160-N162 VanDerWaalsContact C-N 3.31Å; A160-N162 PolarHBondContact O-N 3.2Å; A160-C163 CarbonylContact O-C 3.48Å; A160-C163 WeakPolarHBondContact O-CA 3.36Å; A160-C163 VanDerWaalsContact O-CB 3.29Å; A160-C163 WeakPolarHBondContact O-CB 3.23Å; A160-C163 PolarHBondContact O-N 2.57Å; A160-L164 PolarHBondContact O-N 3.27Å
161F98.9Very high98.4Very high0 Ų022.7 Ų22.70%012%0.117CC..Hα-helixtrans-61.5-38.5178.9-67.2-20.5000113.1V99 I109 F113 R127 E131 F141 F157 Q158 C163 L164V99-F161 HydrophobicContact CG1-CZ 3.93Å; I109-F161 HydrophobicContact CD1-CE1 3.75Å; I109-F161 HydrophobicContact CD1-CZ 4.4Å; I109-F161 HydrophobicContact CG1-CE1 3.67Å; I109-F161 HydrophobicContact CG1-CZ 4.03Å; F113-F161 HydrophobicContact CZ-CD1 4.29Å; F113-F161 HydrophobicContact CZ-CE1 4.06Å; R127-F161 PolarHBondContact NE-O 2.9Å; E131-F161 HydrophobicContact CB-CB 4.1Å; E131-F161 HydrophobicContact CB-CD1 3.94Å; E131-F161 HydrophobicContact CB-CD2 4.13Å; E131-F161 HydrophobicContact CB-CE1 4.37Å; E131-F161 HydrophobicContact CB-CG 3.81Å; E131-F161 HydrophobicContact CG-CD1 3.73Å; E131-F161 HydrophobicContact CG-CD2 4.34Å; E131-F161 HydrophobicContact CG-CE1 3.7Å; E131-F161 HydrophobicContact CG-CE2 4.31Å; E131-F161 HydrophobicContact CG-CG 4.07Å; E131-F161 HydrophobicContact CG-CZ 4.01Å; F141-F161 HydrophobicContact CD1-CE2 4.17Å; F141-F161 AromaticContact CE1-CE2 3.63Å; F141-F161 HydrophobicContact CE1-CE2 3.63Å; F141-F161 AromaticContact CE1-CZ 3.88Å; F141-F161 HydrophobicContact CE1-CZ 3.88Å; F141-F161 HydrophobicContact CZ-CE2 4.46Å; F141-F161 HydrophobicContact CZ-CZ 4.28Å; F157-F161 HydrophobicContact CB-CD2 4.46Å; F157-F161 HydrophobicContact CB-CE2 4.03Å; F157-F161 HydrophobicContact CB-CZ 4.17Å; F157-F161 HydrophobicContact CD1-CZ 4.4Å; F157-F161 VanDerWaalsContact O-CG 3.25Å; F157-F161 WeakPolarHBondContact O-CG 3.34Å; F157-F161 PolarHBondContact O-N 3.42Å; Q158-F161 PolarHBondContact O-N 2.9Å; F161-C163 PolarHBondContact O-N 3.43Å; F161-C163 VanDerWaalsContact O-N 3.17Å; F161-L164 HydrophobicContact CB-CD1 4.45Å; F161-L164 HydrophobicContact CD1-CD1 3.81Å; F161-L164 WeakPolarHBondContact O-CB 3.39Å; F161-L164 PolarHBondContact O-N 2.95Å; F161-L164 VanDerWaalsContact O-N 3.08Å
162N98.8Very high98.4Very high31 Ų3122 Ų2217%0.16612%0.124CC..THydrogen-bonded Turntrans-64.1-19173.9-71.1-17.8000113R127 Q158 A160 P197 S198R127-N162 PolarHBondContact NH2-OD1 3.35Å; Q158-N162 WeakPolarHBondContact O-CB 3.49Å; Q158-N162 PolarHBondContact O-N 2.83Å; Q158-N162 PolarHBondContact O-ND2 3.22Å; A160-N162 VanDerWaalsContact C-N 3.31Å; A160-N162 PolarHBondContact O-N 3.2Å; N162-P197 HydrophobicContact CB-CB 3.89Å; N162-P197 CarbonylContact O-C 3.24Å; N162-P197 WeakPolarHBondContact O-CA 3.4Å; N162-S198 WeakPolarHBondContact CA-O 3.43Å; N162-S198 WeakPolarHBondContact CB-O 3.3Å; N162-S198 PolarHBondContact O-N 2.91Å; N162-S198 PolarHBondContact OD1-O 3.25Å; N162-S198 VanDerWaalsContact OD1-O 3.09Å
163C98.6Very high98.4Very high4 Ų422.5 Ų22.53%0.02712%0.117CC..THydrogen-bonded Turntrans-92.4-6.6176.1-58.10000113.4L51 L52 N159 A160 F161 R196L51-C163 HydrophobicContact CB-CB 4.08Å; L51-C163 HydrophobicContact CD1-CB 4.34Å; L52-C163 HydrophobicContact CD2-CB 3.97Å; L52-C163 HydrophobicContact CG-CB 4.05Å; N159-C163 PolarHBondContact O-SG 2.99Å; A160-C163 CarbonylContact O-C 3.48Å; A160-C163 WeakPolarHBondContact O-CA 3.36Å; A160-C163 VanDerWaalsContact O-CB 3.29Å; A160-C163 WeakPolarHBondContact O-CB 3.23Å; A160-C163 PolarHBondContact O-N 2.57Å; F161-C163 PolarHBondContact O-N 3.43Å; F161-C163 VanDerWaalsContact O-N 3.17Å; C163-R196 PolarHBondContact O-NH1 3.33Å
164L98.7Very high98.5Very high0 Ų022.6 Ų22.60%012%0.117CC..  trans-65.9138.6-177.8-75.2168.9000112L51 F113 I125 R127 E131 A160 F161 R196L51-L164 HydrophobicContact CD1-CD2 3.81Å; L51-L164 HydrophobicContact CD1-CG 4.29Å; L51-L164 HydrophobicContact CD2-CD2 4.02Å; F113-L164 HydrophobicContact CE1-CD2 4.49Å; I125-L164 HydrophobicContact CD1-CD2 3.83Å; I125-L164 HydrophobicContact CG1-CD2 3.87Å; R127-L164 HydrophobicContact CB-CB 3.66Å; R127-L164 HydrophobicContact CB-CD1 4.22Å; R127-L164 HydrophobicContact CG-CB 4.04Å; R127-L164 HydrophobicContact CG-CD1 4.13Å; E131-L164 HydrophobicContact CB-CD1 3.9Å; E131-L164 HydrophobicContact CG-CD1 3.9Å; A160-L164 PolarHBondContact O-N 3.27Å; F161-L164 HydrophobicContact CB-CD1 4.45Å; F161-L164 HydrophobicContact CD1-CD1 3.81Å; F161-L164 WeakPolarHBondContact O-CB 3.39Å; F161-L164 PolarHBondContact O-N 2.95Å; F161-L164 VanDerWaalsContact O-N 3.08Å; L164-R196 WeakPolarHBondContact O-CD 3.16Å
165P98.3Very high98.5Very high0 Ų022.6 Ų22.60%012%0.117CC..  trans-58.9153.4167.1-19.931.5000111.4Q54 I58 L126 R127 R196Q54-P165 HydrophobicContact CB-CG 4.43Å; I58-P165 HydrophobicContact CD1-CB 3.55Å; I58-P165 HydrophobicContact CD1-CG 3.46Å; I58-P165 VanDerWaalsContact CD1-CG 3.46Å; I58-P165 HydrophobicContact CG1-CB 3.7Å; I58-P165 HydrophobicContact CG1-CG 3.92Å; L126-P165 CarbonylContact C-O 3.59Å; L126-P165 WeakPolarHBondContact CA-O 3.31Å; L126-P165 HydrophobicContact CD2-CB 4.02Å; R127-P165 WeakPolarHBondContact CB-O 3.45Å; R127-P165 PolarHBondContact N-O 2.88Å; P165-R196 VanDerWaalsContact N-NH1 3.17Å
166L98.7Very high98.5Very high2 Ų215.1 Ų15.11%0.019%0.089CC..  trans-95.9-31.8-179.1-66.8178.2000112.9I56 R127 M194 M206 L209 L210I56-L166 HydrophobicContact CD1-CD1 3.61Å; I56-L166 HydrophobicContact CD1-CG 3.78Å; I56-L166 HydrophobicContact CG1-CB 4.1Å; I56-L166 HydrophobicContact CG1-CD1 4.1Å; I56-L166 HydrophobicContact CG1-CG 3.83Å; I56-L166 PolarHBondContact O-N 2.93Å; R127-L166 HydrophobicContact CB-CD2 4.08Å; L166-M194 HydrophobicContact CD1-SD 3.9Å; L166-M206 HydrophobicContact CD1-CB 4.16Å; L166-M206 HydrophobicContact CD1-CE 3.81Å; L166-M206 HydrophobicContact CD1-CG 3.69Å; L166-M206 HydrophobicContact CD1-SD 4.42Å; L166-M206 HydrophobicContact CD2-CG 4.24Å; L166-L209 HydrophobicContact CB-CD1 4.43Å; L166-L209 HydrophobicContact CD1-CD1 4.13Å; L166-L210 HydrophobicContact CD2-CD1 4.22Å; L166-L210 HydrophobicContact CD2-CD2 4.11Å; L166-L210 HydrophobicContact CD2-CG 4.38Å
167C98.7Very high98.5Very high0 Ų013.9 Ų13.90%08%0.083CC..EExtended strand (participates in β ladder)trans-141.9154.6-169.3-54.60000112.9I56 L57 I58 F175 C176I56-C167 PolarHBondContact O-N 3.31Å; L57-C167 HydrophobicContact CD1-CB 3.6Å; I58-C167 PolarHBondContact N-O 2.89Å; C167-F175 HydrophobicContact CB-CD2 4.45Å; C167-F175 HydrophobicContact CB-CE2 3.52Å; C167-F175 HydrophobicContact CB-CZ 4.11Å; C167-C176 CarbonylContact C-O 3.43Å; C167-C176 WeakPolarHBondContact CA-O 3.24Å; C167-C176 WeakPolarHBondContact CB-O 3.46Å
168G98.5Very high98.5Very high0 Ų013.9 Ų13.90%08%0.083CC..EExtended strand (participates in β ladder)trans-115.4146166.800000111I58 C176I58-G168 CarbonylContact O-C 3.59Å; I58-G168 VanDerWaalsContact O-CA 3.27Å; I58-G168 WeakPolarHBondContact O-CA 2.95Å; G168-C176 PolarHBondContact N-O 2.95Å; G168-C176 WeakPolarHBondContact O-CB 3.34Å; G168-C176 PolarHBondContact O-N 2.88Å
169L98.6Very high98.5Very high11 Ų1113.4 Ų13.46%0.0588%0.081CC..EExtended strand (participates in β ladder)trans-123.1100.7167.4-176.864.2000107.7L57 I58 E59 V60 I174 F175 W188 I246L57-L169 HydrophobicContact CD1-CB 4.16Å; I58-L169 PolarHBondContact O-N 2.98Å; E59-L169 WeakPolarHBondContact CA-O 3.48Å; V60-L169 PolarHBondContact N-O 3.37Å; L169-I174 WeakPolarHBondContact CA-O 3.23Å; L169-F175 HydrophobicContact CD1-CB 4.46Å; L169-W188 HydrophobicContact CD1-CH2 4.39Å; L169-W188 HydrophobicContact CD1-CZ2 4.12Å; L169-I246 HydrophobicContact CD1-CG2 4.05Å
170V98.5Very high98.5Very high0 Ų09.1 Ų9.10%06%0.058CC..EExtended strand (participates in β ladder)trans-82.9121.5-176.6178.30000109.2V60 T62 V64 I66 L93 G172 R173 I174V60-V170 HydrophobicContact CB-CG2 4.22Å; V60-V170 CarbonylContact O-C 3.55Å; V60-V170 VanDerWaalsContact O-CA 3.27Å; V60-V170 WeakPolarHBondContact O-CA 3.49Å; T62-V170 HydrophobicContact CG2-CG1 3.81Å; V64-V170 HydrophobicContact CG1-CB 4.39Å; V64-V170 HydrophobicContact CG1-CG1 3.47Å; V64-V170 VanDerWaalsContact CG1-CG1 3.47Å; V64-V170 HydrophobicContact CG1-CG2 3.99Å; I66-V170 HydrophobicContact CD1-CG2 4.27Å; L93-V170 HydrophobicContact CD2-CG2 3.94Å; V170-G172 PolarHBondContact O-N 2.95Å; V170-R173 PolarHBondContact O-N 3.36Å; V170-I174 HydrophobicContact CB-CB 4.15Å; V170-I174 PolarHBondContact N-O 3.21Å; V170-I174 PolarHBondContact O-N 2.82Å
171A97.6Very high98.5Very high35 Ų359.1 Ų9.129%0.2896%0.058SC..THydrogen-bonded Turntrans49.427.3179.600000114.3V60 T62 R173 L294V60-A171 PolarHBondContact O-N 3.31Å; T62-A171 HydrophobicContact CG2-CB 4.08Å; A171-R173 WeakPolarHBondContact O-CG 3.23Å; A171-R173 PolarHBondContact O-N 2.85Å; A171-R173 VanDerWaalsContact O-N 3.17Å; A171-L294 HydrophobicContact CB-CD2 3.77Å
172G97.5Very high98.4Very high40 Ų409.1 Ų9.141%0.4126%0.058SC..THydrogen-bonded Turntrans69.91.5-175.400000115.4V170V170-G172 PolarHBondContact O-N 2.95Å
173R98.1Very high98.3Very high66 Ų6611.9 Ų11.925%0.2497%0.07CC..THydrogen-bonded Turntrans-122.7-19.4-168.9-61.5-51.8-68.8-179.3-6.3115.4V170 A171 D245 I246 D247 L248 L294V170-R173 PolarHBondContact O-N 3.36Å; A171-R173 WeakPolarHBondContact O-CG 3.23Å; A171-R173 PolarHBondContact O-N 2.85Å; A171-R173 VanDerWaalsContact O-N 3.17Å; R173-D245 IonicContact CZ-OD1 2.82Å; R173-D245 VanDerWaalsContact NH1-CG 3.3Å; R173-D245 PolarHBondContact NH1-O 2.87Å; R173-D245 IonicContact NH1-OD1 3.84Å; R173-D245 PolarHBondContact NH1-OD1 3.41Å; R173-D245 IonicContact NH1-OD2 2.85Å; R173-D245 IonicContact NH2-OD1 3.42Å; R173-I246 WeakPolarHBondContact O-CB 3.4Å; R173-D247 WeakPolarHBondContact CB-OD2 3.22Å; R173-D247 IonicContact CZ-OD1 3.8Å; R173-D247 IonicContact CZ-OD2 3.44Å; R173-D247 IonicContact NE-OD1 3.27Å; R173-D247 IonicContact NE-OD2 3.16Å; R173-D247 PolarHBondContact NE-OD2 3.13Å; R173-D247 VanDerWaalsContact NH2-CG 3.33Å; R173-D247 IonicContact NH2-OD1 3.29Å; R173-D247 PolarHBondContact NH2-OD1 2.75Å; R173-D247 IonicContact NH2-OD2 3.73Å; R173-D247 PolarHBondContact NH2-OD2 3.32Å; R173-D247 PolarHBondContact O-N 3.04Å; R173-L248 PolarHBondContact O-N 2.88Å; R173-L294 HydrophobicContact CB-CD1 3.96Å; R173-L294 HydrophobicContact CG-CD1 3.73Å
174I98.6Very high98.2Very high3 Ų317.2 Ų17.22%0.01510%0.095CC..EExtended strand (participates in β ladder)trans-122.4113.9178.8-49.2173.1000109.6I66 L169 V170 L248 A250 V290I66-I174 HydrophobicContact CD1-CG2 4.48Å; L169-I174 WeakPolarHBondContact CA-O 3.23Å; V170-I174 HydrophobicContact CB-CB 4.15Å; V170-I174 PolarHBondContact N-O 3.21Å; V170-I174 PolarHBondContact O-N 2.82Å; I174-L248 CarbonylContact C-O 3.57Å; I174-L248 VanDerWaalsContact CA-O 3.28Å; I174-L248 WeakPolarHBondContact CA-O 3.4Å; I174-L248 HydrophobicContact CD1-CD2 4.43Å; I174-L248 HydrophobicContact CG1-CB 4.24Å; I174-L248 HydrophobicContact CG2-CB 4.09Å; I174-L248 HydrophobicContact CG2-CD2 4.07Å; I174-L248 HydrophobicContact CG2-CG 4.12Å; I174-A250 HydrophobicContact CG2-CB 4.04Å; I174-V290 HydrophobicContact CD1-CB 4.38Å; I174-V290 HydrophobicContact CD1-CG1 3.74Å; I174-V290 HydrophobicContact CD1-CG2 3.73Å
175F98.7Very high98.2Very high0 Ų017.2 Ų17.20%010%0.095CC..EExtended strand (participates in β ladder)trans-88.7127.8177.2-177.6-135.6000110.7L57 C167 L169 M177 L185 W188 I191 L209 F240 I246 L248 V249 A250L57-F175 HydrophobicContact CD1-CD2 4.44Å; L57-F175 HydrophobicContact CD1-CE2 4.01Å; C167-F175 HydrophobicContact CB-CD2 4.45Å; C167-F175 HydrophobicContact CB-CE2 3.52Å; C167-F175 HydrophobicContact CB-CZ 4.11Å; L169-F175 HydrophobicContact CD1-CB 4.46Å; F175-M177 HydrophobicContact CD1-CE 3.45Å; F175-M177 VanDerWaalsContact CD1-CE 3.45Å; F175-M177 HydrophobicContact CD1-SD 4.41Å; F175-M177 HydrophobicContact CE1-CE 3.11Å; F175-M177 HydrophobicContact CE1-SD 4.38Å; F175-M177 HydrophobicContact CG-CE 4.5Å; F175-M177 HydrophobicContact CZ-CE 3.93Å; F175-L185 HydrophobicContact CE1-CD2 4.15Å; F175-L185 HydrophobicContact CZ-CD2 4.22Å; F175-W188 HydrophobicContact CB-CH2 3.8Å; F175-W188 HydrophobicContact CB-CZ3 4.47Å; F175-W188 AromaticContact CD1-CH2 3.89Å; F175-W188 HydrophobicContact CD1-CH2 3.89Å; F175-W188 AromaticContact CD1-CZ3 3.98Å; F175-W188 HydrophobicContact CD1-CZ3 3.98Å; F175-W188 HydrophobicContact CD2-CE3 4.45Å; F175-W188 AromaticContact CD2-CH2 3.58Å; F175-W188 HydrophobicContact CD2-CH2 3.58Å; F175-W188 AromaticContact CD2-CZ3 3.38Å; F175-W188 HydrophobicContact CD2-CZ3 3.38Å; F175-W188 HydrophobicContact CE1-CH2 4.33Å; F175-W188 AromaticContact CE1-CZ3 3.96Å; F175-W188 HydrophobicContact CE1-CZ3 3.96Å; F175-W188 HydrophobicContact CE2-CE3 4.28Å; F175-W188 HydrophobicContact CE2-CH2 4.08Å; F175-W188 AromaticContact CE2-CZ3 3.39Å; F175-W188 HydrophobicContact CE2-CZ3 3.39Å; F175-W188 AromaticContact CG-CH2 3.49Å; F175-W188 HydrophobicContact CG-CH2 3.49Å; F175-W188 VanDerWaalsContact CG-CH2 3.49Å; F175-W188 AromaticContact CG-CZ3 3.7Å; F175-W188 HydrophobicContact CG-CZ3 3.7Å; F175-W188 HydrophobicContact CZ-CH2 4.45Å; F175-W188 AromaticContact CZ-CZ3 3.71Å; F175-W188 HydrophobicContact CZ-CZ3 3.71Å; F175-I191 HydrophobicContact CE2-CD1 3.98Å; F175-I191 HydrophobicContact CZ-CD1 3.66Å; F175-L209 HydrophobicContact CE1-CD2 4.19Å; F175-L209 HydrophobicContact CZ-CD2 3.82Å; F175-F240 AromaticContact CD1-CE1 3.62Å; F175-F240 HydrophobicContact CD1-CE1 3.62Å; F175-F240 AromaticContact CD1-CZ 3.7Å; F175-F240 HydrophobicContact CD1-CZ 3.7Å; F175-F240 HydrophobicContact CE1-CE1 4.12Å; F175-F240 AromaticContact CE1-CZ 3.72Å; F175-F240 HydrophobicContact CE1-CZ 3.72Å; F175-I246 HydrophobicContact CB-CD1 3.48Å; F175-I246 VanDerWaalsContact CB-CD1 3.48Å; F175-I246 HydrophobicContact CG-CD1 4.47Å; F175-L248 PolarHBondContact N-O 3.11Å; F175-V249 CarbonylContact O-C 3.53Å; F175-V249 VanDerWaalsContact O-CA 3.32Å; F175-V249 WeakPolarHBondContact O-CA 3.43Å; F175-A250 PolarHBondContact O-N 3.2Å
176C98.9Very high98.1Very high0 Ų022 Ų220%012%0.12CC..EExtended strand (participates in β ladder)trans-122.1130.6-171.1-580000110.5L93 L95 L126 C167 G168 A250L93-C176 HydrophobicContact CD2-CB 3.76Å; L95-C176 HydrophobicContact CD2-CB 3.72Å; L126-C176 HydrophobicContact CD1-CB 4.42Å; C167-C176 CarbonylContact C-O 3.43Å; C167-C176 WeakPolarHBondContact CA-O 3.24Å; C167-C176 WeakPolarHBondContact CB-O 3.46Å; G168-C176 PolarHBondContact N-O 2.95Å; G168-C176 WeakPolarHBondContact O-CB 3.34Å; G168-C176 PolarHBondContact O-N 2.88Å; C176-A250 VanDerWaalsContact CA-O 3.27Å; C176-A250 WeakPolarHBondContact CA-O 3.42Å
177M98.8Very high98.1Very high0 Ų026 Ų260%014%0.139CC..  trans-149.5175.6172.771.5-77-94.200110.3F175 G180 L181 L209 V249 A250 R251F175-M177 HydrophobicContact CD1-CE 3.45Å; F175-M177 VanDerWaalsContact CD1-CE 3.45Å; F175-M177 HydrophobicContact CD1-SD 4.41Å; F175-M177 HydrophobicContact CE1-CE 3.11Å; F175-M177 HydrophobicContact CE1-SD 4.38Å; F175-M177 HydrophobicContact CG-CE 4.5Å; F175-M177 HydrophobicContact CZ-CE 3.93Å; M177-G180 WeakPolarHBondContact CE-O 3.46Å; M177-L181 HydrophobicContact CE-CD2 3.75Å; M177-L209 HydrophobicContact CB-CD2 4.27Å; M177-L209 HydrophobicContact CE-CD2 4.14Å; M177-L209 HydrophobicContact CG-CD2 4.48Å; M177-V249 HydrophobicContact CE-CG1 4.01Å; M177-V249 HydrophobicContact SD-CG1 3.68Å; M177-A250 PolarHBondContact N-O 3.3Å; M177-R251 WeakPolarHBondContact O-CA 3.17Å; M177-R251 HydrophobicContact SD-CB 4.08Å
178H98.9Very high98.1Very high0 Ų027.8 Ų27.80%015%0.145CC..SBendtrans-77.5-62.7172.2-172.158.2000112.8D69 L95 D97 R127 G128 N129 L210 R251 A252 H253D69-H178 IonicContact OD2-CE1 3.36Å; D69-H178 PolarHBondContact OD2-CE1 2.99Å; D69-H178 IonicContact OD2-NE2 3.77Å; L95-H178 VanDerWaalsContact O-CB 3.26Å; L95-H178 WeakPolarHBondContact O-CB 3.47Å; D97-H178 IonicContact OD1-CD2 2.87Å; D97-H178 IonicContact OD1-CE1 4Å; D97-H178 PolarHBondContact OD1-CE1 3.4Å; D97-H178 IonicContact OD1-NE2 2.68Å; D97-H178 PolarHBondContact OD1-NE2 2.88Å; D97-H178 IonicContact OD2-CE1 3.73Å; D97-H178 PolarHBondContact OD2-CE1 3.03Å; D97-H178 IonicContact OD2-NE2 2.81Å; D97-H178 PolarHBondContact OD2-NE2 3.13Å; R127-H178 WeakPolarHBondContact O-CB 3.47Å; G128-H178 VanDerWaalsContact CA-CD2 3.46Å; G128-H178 WeakPolarHBondContact CA-CD2 3.3Å; G128-H178 VanDerWaalsContact CA-CG 3.46Å; N129-H178 PolarHBondContact N-CD2 3.49Å; N129-H178 VanDerWaalsContact N-CD2 3.31Å; N129-H178 PolarHBondContact OD1-CD2 2.98Å; N129-H178 VanDerWaalsContact OD1-CD2 3.28Å; N129-H178 PolarHBondContact OD1-NE2 2.95Å; H178-L210 HydrophobicContact CB-CD2 4.12Å; H178-R251 PolarHBondContact O-NE 2.94Å; H178-R251 PolarHBondContact O-NH2 2.91Å; H178-A252 CarbonylContact O-C 3.47Å; H178-A252 PolarHBondContact O-N 3.01Å; H178-H253 AromaticContact CD2-ND1 3.76Å; H178-H253 AromaticContact NE2-CG 3.82Å; H178-H253 AromaticContact NE2-ND1 3.35Å; H178-H253 PolarHBondContact NE2-ND1 3.11Å; H178-H253 WeakPolarHBondContact O-CB 3.41Å
179G98.7Very high98Very high0 Ų030.8 Ų30.80%016%0.161CC..SBendtrans-72.6-124.3-179.100000110.6L209 L210 A212 R251G179-L209 WeakPolarHBondContact CA-O 3.43Å; G179-L209 PolarHBondContact N-O 3.27Å; G179-L210 VanDerWaalsContact CA-C 3.41Å; G179-A212 CarbonylContact C-O 3.59Å; G179-R251 WeakPolarHBondContact O-CB 3.44Å; G179-R251 PolarHBondContact O-NE 3.17Å; G179-R251 PolarHBondContact O-NH2 3.37Å
180G98Very high98Very high0 Ų032.5 Ų32.50%017%0.169CC..  trans-147.1-157.9-175.500000112.4M177 P182 D208 A212M177-G180 WeakPolarHBondContact CE-O 3.46Å; G180-P182 WeakPolarHBondContact O-CD 3.45Å; G180-D208 PolarHBondContact N-O 2.89Å; G180-A212 PolarHBondContact N-O 2.77Å
181L98.4Very high98Very high0 Ų032.5 Ų32.50%017%0.169CC..  trans-73.7132.5-174.4-63.4-178.1000110.8M177 W221 F232 V237 F240 V249M177-L181 HydrophobicContact CE-CD2 3.75Å; L181-W221 HydrophobicContact CB-CH2 3.86Å; L181-W221 WeakPolarHBondContact O-CH2 3.32Å; L181-W221 WeakPolarHBondContact O-CZ3 3.48Å; L181-F232 HydrophobicContact CB-CD1 4.21Å; L181-F232 HydrophobicContact CB-CD2 4.46Å; L181-F232 HydrophobicContact CB-CE1 4.3Å; L181-F232 HydrophobicContact CB-CG 4.31Å; L181-F232 HydrophobicContact CB-CZ 4.46Å; L181-F232 HydrophobicContact CD1-CD2 4.18Å; L181-F232 HydrophobicContact CD1-CE2 4.21Å; L181-F232 HydrophobicContact CG-CD2 4.43Å; L181-F232 HydrophobicContact CG-CE2 4.2Å; L181-F232 HydrophobicContact CG-CZ 4.3Å; L181-F232 VanDerWaalsContact N-CE1 3.35Å; L181-V237 HydrophobicContact CD1-CB 4.2Å; L181-V237 HydrophobicContact CD1-CG2 3.84Å; L181-F240 HydrophobicContact CD1-CB 3.81Å; L181-F240 HydrophobicContact CD1-CD1 4.22Å; L181-F240 HydrophobicContact CD1-CG 3.95Å; L181-F240 HydrophobicContact CD2-CD1 3.55Å; L181-F240 HydrophobicContact CD2-CD2 4.06Å; L181-F240 HydrophobicContact CD2-CE1 3.61Å; L181-F240 HydrophobicContact CD2-CE2 4.12Å; L181-F240 HydrophobicContact CD2-CG 3.79Å; L181-F240 HydrophobicContact CD2-CZ 3.89Å; L181-F240 HydrophobicContact CG-CG 4.45Å; L181-V249 HydrophobicContact CD2-CG1 4.24Å; L181-V249 HydrophobicContact CD2-CG2 4.04Å
182P97.8Very high98Very high0 Ų035.7 Ų35.70%017%0.173CC..  trans-82.5133.7166.9-13.831.5000111G180 E184 L185 I205 D208 L209G180-P182 WeakPolarHBondContact O-CD 3.45Å; P182-E184 PolarHBondContact O-N 3.05Å; P182-L185 HydrophobicContact CB-CB 3.82Å; P182-L185 HydrophobicContact CG-CB 3.97Å; P182-L185 HydrophobicContact CG-CD2 4.14Å; P182-L185 PolarHBondContact O-N 2.71Å; P182-I205 HydrophobicContact CB-CB 4.24Å; P182-I205 HydrophobicContact CB-CG1 4.12Å; P182-I205 HydrophobicContact CB-CG2 4.04Å; P182-I205 HydrophobicContact CG-CG2 3.84Å; P182-D208 HydrophobicContact CB-CB 3.69Å; P182-D208 HydrophobicContact CG-CB 3.94Å; P182-L209 HydrophobicContact CG-CD2 3.63Å; P182-L209 HydrophobicContact CG-CG 3.66Å
183Q95.6Very high98Very high88 Ų8842.4 Ų42.441%0.41119%0.186SC..THydrogen-bonded Turntrans-60.2-36.8175.8-172.8-179.918.700111.9L185 W221Q183-L185 VanDerWaalsContact C-N 3.33Å; Q183-L185 PolarHBondContact O-N 3.28Å; Q183-W221 HydrophobicContact CB-CD2 3.9Å; Q183-W221 HydrophobicContact CB-CE3 3.92Å; Q183-W221 HydrophobicContact CB-CH2 4.04Å; Q183-W221 HydrophobicContact CB-CZ2 4.02Å; Q183-W221 HydrophobicContact CB-CZ3 3.98Å; Q183-W221 HydrophobicContact CG-CD2 3.94Å; Q183-W221 HydrophobicContact CG-CE3 4.46Å; Q183-W221 HydrophobicContact CG-CG 4.18Å; Q183-W221 HydrophobicContact CG-CZ2 4.27Å
184E96.7Very high98Very high116 Ų11641.2 Ų41.254%0.54218%0.184SC..THydrogen-bonded Turntrans-85-2.8-174.9-61-178.7175.400113.7P182 L186 Q190 I205P182-E184 PolarHBondContact O-N 3.05Å; E184-L186 PolarHBondContact O-N 2.93Å; E184-Q190 PolarHBondContact O-NE2 3.45Å; E184-I205 HydrophobicContact CB-CD1 4.2Å; E184-I205 HydrophobicContact CB-CG1 3.92Å
185L98.1Very high97.9Very high0 Ų049.7 Ų49.70%022%0.221CC..  trans-82.9106.1-178.4-179.163000111F175 P182 Q183 H187 Q190 I191 I205 F240F175-L185 HydrophobicContact CE1-CD2 4.15Å; F175-L185 HydrophobicContact CZ-CD2 4.22Å; P182-L185 HydrophobicContact CB-CB 3.82Å; P182-L185 HydrophobicContact CG-CB 3.97Å; P182-L185 HydrophobicContact CG-CD2 4.14Å; P182-L185 PolarHBondContact O-N 2.71Å; Q183-L185 VanDerWaalsContact C-N 3.33Å; Q183-L185 PolarHBondContact O-N 3.28Å; L185-H187 WeakPolarHBondContact CD1-O 3.26Å; L185-Q190 HydrophobicContact CD1-CB 3.95Å; L185-I191 HydrophobicContact CD1-CD1 4.12Å; L185-I191 HydrophobicContact CD1-CG1 3.76Å; L185-I191 HydrophobicContact CD2-CD1 3.77Å; L185-I191 HydrophobicContact CD2-CG1 4.28Å; L185-I205 HydrophobicContact CB-CD1 4.49Å; L185-I205 HydrophobicContact CB-CG2 4.5Å; L185-I205 HydrophobicContact CD1-CG2 4.46Å; L185-F240 HydrophobicContact CB-CE2 4.32Å; L185-F240 HydrophobicContact CD2-CE2 3.71Å; L185-F240 HydrophobicContact CD2-CZ 3.85Å; L185-F240 HydrophobicContact CG-CE2 3.99Å
186L97.7Very high97.8Very high101 Ų10151.8 Ų51.853%0.52923%0.229SC..  trans-108.9-25.5-177.2-58.4177.1000113.2E184 M244E184-L186 PolarHBondContact O-N 2.93Å; L186-M244 VanDerWaalsContact O-SD 3.39Å
187H97.3Very high97.8Very high87 Ų8755.9 Ų55.940%0.40326%0.255SS..SBendtrans-154149178.959.675000112.2L185 D189 Q190L185-H187 WeakPolarHBondContact CD1-O 3.26Å; H187-D189 WeakPolarHBondContact ND1-CB 3.43Å; H187-D189 PolarHBondContact ND1-N 2.66Å; H187-D189 PolarHBondContact O-N 3.49Å; H187-Q190 VanDerWaalsContact CE1-CG 3.47Å; H187-Q190 WeakPolarHBondContact CE1-CG 3.43Å; H187-Q190 PolarHBondContact ND1-N 3.15Å; H187-Q190 WeakPolarHBondContact O-CB 3.5Å; H187-Q190 PolarHBondContact O-N 3.08Å
188W98.2Very high97.7Very high37 Ų3757.9 Ų57.914%0.1427%0.269CS..Hα-helixtrans-54.4-31.4-176.6-61.7122000114.2L57 L169 F175 Q190 I191 R192 F240 M244 I246L57-W188 HydrophobicContact CD2-CB 4.03Å; L57-W188 HydrophobicContact CD2-CD2 4.3Å; L57-W188 HydrophobicContact CD2-CE3 3.98Å; L57-W188 HydrophobicContact CD2-CG 4.37Å; L169-W188 HydrophobicContact CD1-CH2 4.39Å; L169-W188 HydrophobicContact CD1-CZ2 4.12Å; F175-W188 HydrophobicContact CB-CH2 3.8Å; F175-W188 HydrophobicContact CB-CZ3 4.47Å; F175-W188 AromaticContact CD1-CH2 3.89Å; F175-W188 HydrophobicContact CD1-CH2 3.89Å; F175-W188 AromaticContact CD1-CZ3 3.98Å; F175-W188 HydrophobicContact CD1-CZ3 3.98Å; F175-W188 HydrophobicContact CD2-CE3 4.45Å; F175-W188 AromaticContact CD2-CH2 3.58Å; F175-W188 HydrophobicContact CD2-CH2 3.58Å; F175-W188 AromaticContact CD2-CZ3 3.38Å; F175-W188 HydrophobicContact CD2-CZ3 3.38Å; F175-W188 HydrophobicContact CE1-CH2 4.33Å; F175-W188 AromaticContact CE1-CZ3 3.96Å; F175-W188 HydrophobicContact CE1-CZ3 3.96Å; F175-W188 HydrophobicContact CE2-CE3 4.28Å; F175-W188 HydrophobicContact CE2-CH2 4.08Å; F175-W188 AromaticContact CE2-CZ3 3.39Å; F175-W188 HydrophobicContact CE2-CZ3 3.39Å; F175-W188 AromaticContact CG-CH2 3.49Å; F175-W188 HydrophobicContact CG-CH2 3.49Å; F175-W188 VanDerWaalsContact CG-CH2 3.49Å; F175-W188 AromaticContact CG-CZ3 3.7Å; F175-W188 HydrophobicContact CG-CZ3 3.7Å; F175-W188 HydrophobicContact CZ-CH2 4.45Å; F175-W188 AromaticContact CZ-CZ3 3.71Å; F175-W188 HydrophobicContact CZ-CZ3 3.71Å; W188-Q190 PolarHBondContact O-N 2.87Å; W188-I191 HydrophobicContact CE3-CD1 4.3Å; W188-I191 HydrophobicContact CZ3-CD1 4.44Å; W188-I191 PolarHBondContact O-N 3.04Å; W188-R192 PolarHBondContact O-N 2.78Å; W188-F240 HydrophobicContact CH2-CE1 4.35Å; W188-F240 HydrophobicContact CH2-CZ 4.18Å; W188-F240 HydrophobicContact CZ3-CZ 4.4Å; W188-M244 HydrophobicContact CD2-CE 3.3Å; W188-M244 HydrophobicContact CE3-CE 3.49Å; W188-M244 VanDerWaalsContact CE3-CE 3.49Å; W188-M244 HydrophobicContact CG-CE 3.85Å; W188-M244 HydrophobicContact CH2-CB 4.15Å; W188-M244 HydrophobicContact CH2-CE 3.73Å; W188-M244 HydrophobicContact CZ2-CB 3.66Å; W188-M244 HydrophobicContact CZ2-CE 3.61Å; W188-M244 HydrophobicContact CZ2-CG 4.4Å; W188-M244 HydrophobicContact CZ3-CE 3.67Å; W188-I246 HydrophobicContact CH2-CD1 4.43Å; W188-I246 HydrophobicContact CH2-CG2 4.43Å; W188-I246 HydrophobicContact CZ2-CG2 3.76Å
189D98Very high97.6Very high62 Ų6261.3 Ų61.333%0.33229%0.287SS..Hα-helixtrans-63.7-20.5179.2-77.88.5000114.2H187 I191 R192 R193H187-D189 WeakPolarHBondContact ND1-CB 3.43Å; H187-D189 PolarHBondContact ND1-N 2.66Å; H187-D189 PolarHBondContact O-N 3.49Å; D189-I191 VanDerWaalsContact C-N 3.31Å; D189-R192 PolarHBondContact O-N 3.02Å; D189-R192 IonicContact OD1-NH1 3.79Å; D189-R192 PolarHBondContact OD1-NH1 3.13Å; D189-R193 WeakPolarHBondContact O-CB 3.31Å; D189-R193 WeakPolarHBondContact O-CD 3.4Å; D189-R193 WeakPolarHBondContact O-CG 3.37Å; D189-R193 PolarHBondContact O-N 3.47Å; D189-R193 VanDerWaalsContact O-N 3.09Å; D189-R193 IonicContact OD2-NH2 3.57Å; D189-R193 PolarHBondContact OD2-NH2 3.31Å
190Q98.3Very high97.5Very high48 Ų4862 Ų6222%0.22429%0.291CS..Hα-helixtrans-63.4-41.6172.1-75.6168-8000110.6E184 L185 H187 W188 M194 I205E184-Q190 PolarHBondContact O-NE2 3.45Å; L185-Q190 HydrophobicContact CD1-CB 3.95Å; H187-Q190 VanDerWaalsContact CE1-CG 3.47Å; H187-Q190 WeakPolarHBondContact CE1-CG 3.43Å; H187-Q190 PolarHBondContact ND1-N 3.15Å; H187-Q190 WeakPolarHBondContact O-CB 3.5Å; H187-Q190 PolarHBondContact O-N 3.08Å; W188-Q190 PolarHBondContact O-N 2.87Å; Q190-M194 WeakPolarHBondContact O-CG 3.42Å; Q190-I205 HydrophobicContact CB-CD1 3.96Å; Q190-I205 HydrophobicContact CG-CD1 4.35Å
191I98.3Very high97.4Very high0 Ų064.7 Ų64.70%031%0.309CS..Hα-helixtrans-70.5-50174.6-53.2-179.9000109.7I56 L57 F175 L185 W188 D189 R193 M194 L209I56-I191 HydrophobicContact CG2-CG2 4.12Å; I56-I191 WeakPolarHBondContact CG2-O 3.21Å; L57-I191 HydrophobicContact CB-CB 4.49Å; L57-I191 HydrophobicContact CB-CG2 3.93Å; F175-I191 HydrophobicContact CE2-CD1 3.98Å; F175-I191 HydrophobicContact CZ-CD1 3.66Å; L185-I191 HydrophobicContact CD1-CD1 4.12Å; L185-I191 HydrophobicContact CD1-CG1 3.76Å; L185-I191 HydrophobicContact CD2-CD1 3.77Å; L185-I191 HydrophobicContact CD2-CG1 4.28Å; W188-I191 HydrophobicContact CE3-CD1 4.3Å; W188-I191 HydrophobicContact CZ3-CD1 4.44Å; W188-I191 PolarHBondContact O-N 3.04Å; D189-I191 VanDerWaalsContact C-N 3.31Å; I191-R193 PolarHBondContact O-N 2.91Å; I191-M194 VanDerWaalsContact O-CB 3.3Å; I191-M194 WeakPolarHBondContact O-CB 3.48Å; I191-M194 WeakPolarHBondContact O-CG 3.32Å; I191-M194 PolarHBondContact O-N 2.85Å; I191-L209 HydrophobicContact CD1-CD1 4.17Å; I191-L209 HydrophobicContact CG1-CD1 4.32Å
192R97.3Very high97.3Very high102 Ų10271.7 Ų71.739%0.38534%0.342SS..Hα-helixtrans-58.5-25.6-176.3-64.2-179.2177.8124.1-2.7114.1L57 E59 W188 D189L57-R192 HydrophobicContact CB-CG 4.29Å; L57-R192 HydrophobicContact CD2-CG 4.15Å; E59-R192 IonicContact OE1-CZ 2.62Å; E59-R192 IonicContact OE1-NE 3.92Å; E59-R192 IonicContact OE1-NH2 2.71Å; E59-R192 PolarHBondContact OE1-NH2 3.36Å; W188-R192 PolarHBondContact O-N 2.78Å; D189-R192 PolarHBondContact O-N 3.02Å; D189-R192 IonicContact OD1-NH1 3.79Å; D189-R192 PolarHBondContact OD1-NH1 3.13Å
193R97.1Very high97.3Very high180 Ų18076 Ų7668%0.67937%0.372SS*.THydrogen-bonded Turntrans-86.3-10178.6-69.2172.7-160.5-170.29113.9D189 I191D189-R193 WeakPolarHBondContact O-CB 3.31Å; D189-R193 WeakPolarHBondContact O-CD 3.4Å; D189-R193 WeakPolarHBondContact O-CG 3.37Å; D189-R193 PolarHBondContact O-N 3.47Å; D189-R193 VanDerWaalsContact O-N 3.09Å; D189-R193 IonicContact OD2-NH2 3.57Å; D189-R193 PolarHBondContact OD2-NH2 3.31Å; I191-R193 PolarHBondContact O-N 2.91Å
194M97.6Very high97.4Very high41 Ų4172.8 Ų72.820%0.20236%0.363CS..  trans-65.7139.6175.1-64.4-175-178.200110.6I56 L166 Q190 I191 I205 M206I56-M194 HydrophobicContact CD1-CB 3.64Å; I56-M194 HydrophobicContact CD1-SD 4.43Å; I56-M194 HydrophobicContact CG2-CB 4.46Å; L166-M194 HydrophobicContact CD1-SD 3.9Å; Q190-M194 WeakPolarHBondContact O-CG 3.42Å; I191-M194 VanDerWaalsContact O-CB 3.3Å; I191-M194 WeakPolarHBondContact O-CB 3.48Å; I191-M194 WeakPolarHBondContact O-CG 3.32Å; I191-M194 PolarHBondContact O-N 2.85Å; M194-I205 HydrophobicContact CE-CB 3.48Å; M194-I205 VanDerWaalsContact CE-CB 3.48Å; M194-I205 HydrophobicContact CE-CG2 3.28Å; M194-M206 HydrophobicContact CB-CE 4.48Å; M194-M206 HydrophobicContact CE-CB 4.46Å; M194-M206 HydrophobicContact SD-CB 4.13Å; M194-M206 HydrophobicContact SD-CE 4.09Å
195K96.7Very high97.5Very high181 Ų18168.1 Ų68.179%0.78734%0.341SS*.  trans-93.4146.6-177.2-66-176.1178.2179.40110.9S198K195-S198 WeakPolarHBondContact O-CB 3.45Å
196R97.4Very high97.5Very high45 Ų4568.8 Ų68.817%0.1734%0.344CS..SBendtrans-128.1148.4166.5-72.2179.4-63.1140.410.6109.5L51 L52 Q54 I56 C163 L164 P165L51-R196 PolarHBondContact O-NH1 3.08Å; L52-R196 HydrophobicContact CD2-CB 4.01Å; Q54-R196 PolarHBondContact O-NH2 2.64Å; I56-R196 HydrophobicContact CD1-CG 3.89Å; I56-R196 HydrophobicContact CG1-CG 4.35Å; C163-R196 PolarHBondContact O-NH1 3.33Å; L164-R196 WeakPolarHBondContact O-CD 3.16Å; P165-R196 VanDerWaalsContact N-NH1 3.17Å
197P98.2Very high97.5Very high86 Ų8664 Ų6456%0.55832%0.32SS*.SBendcis-67.9149-1.527.6-33.9000113.3N162N162-P197 HydrophobicContact CB-CB 3.89Å; N162-P197 CarbonylContact O-C 3.24Å; N162-P197 WeakPolarHBondContact O-CA 3.4Å
198S97.4Very high97.6Very high41 Ų4160 Ų6029%0.28730%0.301SS..  trans-148.2145.3175.7-175.80000110.8R127 N162 K195R127-S198 PolarHBondContact NH1-O 2.58Å; N162-S198 WeakPolarHBondContact CA-O 3.43Å; N162-S198 WeakPolarHBondContact CB-O 3.3Å; N162-S198 PolarHBondContact O-N 2.91Å; N162-S198 PolarHBondContact OD1-O 3.25Å; N162-S198 VanDerWaalsContact OD1-O 3.09Å; K195-S198 WeakPolarHBondContact O-CB 3.45Å
199D96Very high97.6Very high72 Ų7258.2 Ų58.239%0.38529%0.294SS..PPolyproline II helixtrans-73.2166.6161.1-162.311.1000110.3
200V97.3Very high97.6Very high14 Ų1455.3 Ų55.39%0.08528%0.278CS..PPolyproline II helixtrans-83.8118.2176.3-177.80000109.4L210V200-L210 HydrophobicContact CB-CD1 4.41Å; V200-L210 HydrophobicContact CG1-CD1 3.86Å; V200-L210 HydrophobicContact CG2-CD1 3.58Å
201P97Very high97.7Very high57 Ų5754.6 Ų54.637%0.3727%0.274SS..PPolyproline II helixtrans-68.4160.517730.6-35.2000111.4S203 M206 C207P201-S203 PolarHBondContact O-N 2.8Å; P201-M206 WeakPolarHBondContact CD-SD 3.37Å; P201-M206 HydrophobicContact CG-CB 3.95Å; P201-M206 HydrophobicContact CG-CG 4.34Å; P201-M206 HydrophobicContact CG-SD 4.38Å; P201-C207 WeakPolarHBondContact O-CB 3.39Å; P201-C207 PolarHBondContact O-SG 3.46Å
202E95.5Very high97.7Very high148 Ų14854.6 Ų54.669%0.69227%0.274SS*.SBendtrans-75.4-12.1-179.5-62.3-178.4169.900113.5K134K134-E202 IonicContact NZ-OE1 2.77Å; K134-E202 PolarHBondContact NZ-OE1 3.03Å
203S97.3Very high97.7Very high90 Ų9049.9 Ų49.963%0.62926%0.256SS*.SBendtrans-158171.7177.856.70000111.5P201P201-S203 PolarHBondContact O-N 2.8Å
204G97.7Very high97.8Very high21 Ų2141.6 Ų41.622%0.21623%0.226CC..SBendtrans88.7-177.5178.100000113.4M206 C207 D208G204-M206 VanDerWaalsContact C-N 3.33Å; G204-M206 PolarHBondContact O-N 2.95Å; G204-M206 VanDerWaalsContact O-N 3.13Å; G204-C207 WeakPolarHBondContact O-CA 3.29Å; G204-C207 WeakPolarHBondContact O-CB 3.37Å; G204-C207 PolarHBondContact O-N 3.4Å; G204-D208 PolarHBondContact O-N 3.27Å
205I98.5Very high97.8Very high17 Ų1740.5 Ų40.59%0.08722%0.221CC..Hα-helixtrans-52.3-44.6-167.5-62.2173.2000113.7P182 E184 L185 Q190 M194 C207 D208 L209P182-I205 HydrophobicContact CB-CB 4.24Å; P182-I205 HydrophobicContact CB-CG1 4.12Å; P182-I205 HydrophobicContact CB-CG2 4.04Å; P182-I205 HydrophobicContact CG-CG2 3.84Å; E184-I205 HydrophobicContact CB-CD1 4.2Å; E184-I205 HydrophobicContact CB-CG1 3.92Å; L185-I205 HydrophobicContact CB-CD1 4.49Å; L185-I205 HydrophobicContact CB-CG2 4.5Å; L185-I205 HydrophobicContact CD1-CG2 4.46Å; Q190-I205 HydrophobicContact CB-CD1 3.96Å; Q190-I205 HydrophobicContact CG-CD1 4.35Å; M194-I205 HydrophobicContact CE-CB 3.48Å; M194-I205 VanDerWaalsContact CE-CB 3.48Å; M194-I205 HydrophobicContact CE-CG2 3.28Å; I205-C207 VanDerWaalsContact C-N 3.31Å; I205-C207 PolarHBondContact O-N 2.95Å; I205-D208 PolarHBondContact O-N 3.17Å; I205-L209 HydrophobicContact CG2-CD1 3.89Å; I205-L209 HydrophobicContact CG2-CG 4.27Å; I205-L209 WeakPolarHBondContact O-CB 3.07Å; I205-L209 WeakPolarHBondContact O-CG 3.34Å; I205-L209 PolarHBondContact O-N 2.86Å
206M98.4Very high97.7Very high15 Ų1536.4 Ų36.47%0.07420%0.204CC..Hα-helixtrans-65-35.8179.2178.8178.1-68.100112.3I56 L166 M194 P201 G204 L210I56-M206 HydrophobicContact CD1-CE 4.3Å; L166-M206 HydrophobicContact CD1-CB 4.16Å; L166-M206 HydrophobicContact CD1-CE 3.81Å; L166-M206 HydrophobicContact CD1-CG 3.69Å; L166-M206 HydrophobicContact CD1-SD 4.42Å; L166-M206 HydrophobicContact CD2-CG 4.24Å; M194-M206 HydrophobicContact CB-CE 4.48Å; M194-M206 HydrophobicContact CE-CB 4.46Å; M194-M206 HydrophobicContact SD-CB 4.13Å; M194-M206 HydrophobicContact SD-CE 4.09Å; P201-M206 WeakPolarHBondContact CD-SD 3.37Å; P201-M206 HydrophobicContact CG-CB 3.95Å; P201-M206 HydrophobicContact CG-CG 4.34Å; P201-M206 HydrophobicContact CG-SD 4.38Å; G204-M206 VanDerWaalsContact C-N 3.33Å; G204-M206 PolarHBondContact O-N 2.95Å; G204-M206 VanDerWaalsContact O-N 3.13Å; M206-L210 WeakPolarHBondContact O-CG 3.18Å
207C98.5Very high97.6Very high1 Ų142 Ų421%0.00724%0.238CC..Hα-helixtrans-64.8-49.5175.1-168.90000109.8P201 G204 I205 L209 L210 W211 V228P201-C207 WeakPolarHBondContact O-CB 3.39Å; P201-C207 PolarHBondContact O-SG 3.46Å; G204-C207 WeakPolarHBondContact O-CA 3.29Å; G204-C207 WeakPolarHBondContact O-CB 3.37Å; G204-C207 PolarHBondContact O-N 3.4Å; I205-C207 VanDerWaalsContact C-N 3.31Å; I205-C207 PolarHBondContact O-N 2.95Å; C207-L209 PolarHBondContact O-N 3.43Å; C207-L210 CarbonylContact O-C 3.53Å; C207-L210 PolarHBondContact O-N 3.03Å; C207-W211 WeakPolarHBondContact O-CB 3.48Å; C207-W211 VanDerWaalsContact O-CD1 3.31Å; C207-W211 PolarHBondContact O-N 3.33Å; C207-V228 WeakPolarHBondContact SG-CG2 3.28Å
208D98.6Very high97.3Very high2 Ų238.8 Ų38.81%0.01122%0.22CC..Hα-helixtrans-65.5-38.7-175-58.2-25000113.3G180 P182 G204 I205 L210 W211 A212 S229G180-D208 PolarHBondContact N-O 2.89Å; P182-D208 HydrophobicContact CB-CB 3.69Å; P182-D208 HydrophobicContact CG-CB 3.94Å; G204-D208 PolarHBondContact O-N 3.27Å; I205-D208 PolarHBondContact O-N 3.17Å; D208-L210 PolarHBondContact O-N 3.44Å; D208-W211 PolarHBondContact O-N 2.67Å; D208-A212 HydrophobicContact CB-CB 4.32Å; D208-A212 VanDerWaalsContact O-CB 3.27Å; D208-A212 WeakPolarHBondContact O-CB 3.4Å; D208-A212 PolarHBondContact O-N 2.99Å; D208-S229 VanDerWaalsContact CA-OG 3.27Å; D208-S229 WeakPolarHBondContact CA-OG 3.29Å; D208-S229 WeakPolarHBondContact OD1-CB 3.41Å; D208-S229 PolarHBondContact OD1-OG 2.88Å
209L98.8Very high97.3Very high0 Ų042.9 Ų42.90%024%0.238CC..Hα-helixtrans-58.1-19173.4-72.3170.5000113.4L166 F175 M177 G179 P182 I191 I205 C207L166-L209 HydrophobicContact CB-CD1 4.43Å; L166-L209 HydrophobicContact CD1-CD1 4.13Å; F175-L209 HydrophobicContact CE1-CD2 4.19Å; F175-L209 HydrophobicContact CZ-CD2 3.82Å; M177-L209 HydrophobicContact CB-CD2 4.27Å; M177-L209 HydrophobicContact CE-CD2 4.14Å; M177-L209 HydrophobicContact CG-CD2 4.48Å; G179-L209 WeakPolarHBondContact CA-O 3.43Å; G179-L209 PolarHBondContact N-O 3.27Å; P182-L209 HydrophobicContact CG-CD2 3.63Å; P182-L209 HydrophobicContact CG-CG 3.66Å; I191-L209 HydrophobicContact CD1-CD1 4.17Å; I191-L209 HydrophobicContact CG1-CD1 4.32Å; I205-L209 HydrophobicContact CG2-CD1 3.89Å; I205-L209 HydrophobicContact CG2-CG 4.27Å; I205-L209 WeakPolarHBondContact O-CB 3.07Å; I205-L209 WeakPolarHBondContact O-CG 3.34Å; I205-L209 PolarHBondContact O-N 2.86Å; C207-L209 PolarHBondContact O-N 3.43Å
210L98.7Very high97.3Very high0 Ų040.3 Ų40.30%023%0.229CC..Hα-helixtrans-109.9-18.3-179.4-59.2-178.6000113.6R127 N129 L166 H178 G179 V200 M206 C207 D208R127-L210 HydrophobicContact CB-CD2 4.41Å; R127-L210 WeakPolarHBondContact O-CD2 3.24Å; N129-L210 HydrophobicContact CB-CB 4.26Å; L166-L210 HydrophobicContact CD2-CD1 4.22Å; L166-L210 HydrophobicContact CD2-CD2 4.11Å; L166-L210 HydrophobicContact CD2-CG 4.38Å; H178-L210 HydrophobicContact CB-CD2 4.12Å; G179-L210 VanDerWaalsContact CA-C 3.41Å; V200-L210 HydrophobicContact CB-CD1 4.41Å; V200-L210 HydrophobicContact CG1-CD1 3.86Å; V200-L210 HydrophobicContact CG2-CD1 3.58Å; M206-L210 WeakPolarHBondContact O-CG 3.18Å; C207-L210 CarbonylContact O-C 3.53Å; C207-L210 PolarHBondContact O-N 3.03Å; D208-L210 PolarHBondContact O-N 3.44Å
211W98.6Very high97.4Very high33 Ų3342.9 Ų42.913%0.12524%0.237CC..Hα-helixtrans-130.9-18.8-168.2-73.3102.2000116.3N129 I135 C207 D208 N224 V228 H253N129-W211 HydrophobicContact CB-CD2 3.99Å; N129-W211 HydrophobicContact CB-CE3 4.47Å; N129-W211 HydrophobicContact CB-CH2 4.22Å; N129-W211 HydrophobicContact CB-CZ2 3.68Å; N129-W211 WeakPolarHBondContact ND2-CH2 3.05Å; N129-W211 VanDerWaalsContact ND2-CZ3 3.32Å; N129-W211 WeakPolarHBondContact ND2-CZ3 3.43Å; I135-W211 HydrophobicContact CD1-CH2 3.5Å; I135-W211 HydrophobicContact CD1-CZ2 3.53Å; I135-W211 HydrophobicContact CG1-CH2 3.9Å; I135-W211 HydrophobicContact CG1-CZ2 3.57Å; C207-W211 WeakPolarHBondContact O-CB 3.48Å; C207-W211 VanDerWaalsContact O-CD1 3.31Å; C207-W211 PolarHBondContact O-N 3.33Å; D208-W211 PolarHBondContact O-N 2.67Å; W211-N224 PolarHBondContact O-ND2 3.45Å; W211-V228 HydrophobicContact CB-CG1 4.18Å; W211-V228 HydrophobicContact CD2-CG1 3.6Å; W211-V228 HydrophobicContact CE3-CG1 3.54Å; W211-V228 HydrophobicContact CG-CG1 3.92Å; W211-V228 HydrophobicContact CG-CG2 4.35Å; W211-V228 HydrophobicContact CZ3-CG1 4.07Å; W211-H253 AromaticContact CE3-CE1 3.96Å
212A98.6Very high97.4Very high0 Ų044.7 Ų44.70%024%0.241CC..  trans-67.2150.8-177.500000111.5G179 G180 D208 S229 W230 F232 R251G179-A212 CarbonylContact C-O 3.59Å; G180-A212 PolarHBondContact N-O 2.77Å; D208-A212 HydrophobicContact CB-CB 4.32Å; D208-A212 VanDerWaalsContact O-CB 3.27Å; D208-A212 WeakPolarHBondContact O-CB 3.4Å; D208-A212 PolarHBondContact O-N 2.99Å; A212-S229 WeakPolarHBondContact CB-OG 3.45Å; A212-S229 PolarHBondContact N-OG 3.32Å; A212-W230 VanDerWaalsContact CA-O 3.24Å; A212-W230 WeakPolarHBondContact CA-O 3.38Å; A212-W230 WeakPolarHBondContact CB-O 3.29Å; A212-F232 HydrophobicContact CB-CD1 4.04Å; A212-F232 HydrophobicContact CB-CE1 3.9Å; A212-R251 PolarHBondContact O-NH2 3.46Å
213D98.7Very high97.4Very high4 Ų443.9 Ų43.92%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-132149.7-180-70.3-56.3000112.7N224 R226 W230 L231 F232 R251 H253 Q254D213-N224 PolarHBondContact OD2-ND2 3.27Å; D213-R226 IonicContact OD1-NE 2.92Å; D213-R226 IonicContact OD1-NH2 3.15Å; D213-R226 PolarHBondContact OD1-NH2 2.99Å; D213-R226 IonicContact OD2-CZ 2.72Å; D213-R226 IonicContact OD2-NE 3.94Å; D213-R226 PolarHBondContact OD2-NE 2.93Å; D213-R226 IonicContact OD2-NH2 2.62Å; D213-R226 PolarHBondContact OD2-NH2 3.27Å; D213-W230 PolarHBondContact N-O 2.89Å; D213-L231 HydrophobicContact CB-CD2 3.76Å; D213-L231 CarbonylContact O-C 3.55Å; D213-L231 WeakPolarHBondContact O-CA 3.48Å; D213-F232 WeakPolarHBondContact O-CD1 3.46Å; D213-F232 VanDerWaalsContact O-CE1 3.29Å; D213-F232 WeakPolarHBondContact O-CE1 2.99Å; D213-F232 PolarHBondContact O-N 3.16Å; D213-R251 IonicContact OD1-CZ 2.77Å; D213-R251 IonicContact OD1-NH1 3.28Å; D213-R251 PolarHBondContact OD1-NH1 3.44Å; D213-R251 IonicContact OD1-NH2 3.59Å; D213-R251 PolarHBondContact OD1-NH2 3.44Å; D213-H253 IonicContact OD1-CD2 3.64Å; D213-H253 PolarHBondContact OD1-CD2 3.01Å; D213-Q254 VanDerWaalsContact OD1-CG 3.23Å; D213-Q254 WeakPolarHBondContact OD1-CG 3.44Å; D213-Q254 PolarHBondContact OD1-NE2 2.74Å
214P98.4Very high97.4Very high5 Ų539.9 Ų39.93%0.03221%0.21CC..EExtended strand (participates in β ladder)trans-63.8141.2168.727.8-34.5000111.9F232 Q254 F263P214-F232 CarbonylContact C-O 3.6Å; P214-F232 WeakPolarHBondContact CA-O 3.38Å; P214-F232 HydrophobicContact CB-CE2 4.03Å; P214-F232 HydrophobicContact CB-CZ 4.23Å; P214-Q254 VanDerWaalsContact CG-OE1 3.3Å; P214-F263 HydrophobicContact CB-CD1 3.8Å; P214-F263 HydrophobicContact CB-CE1 3.86Å; P214-F263 HydrophobicContact CB-CG 4.15Å; P214-F263 HydrophobicContact CB-CZ 4.28Å
215N97.8Very high97.4Very high18 Ų1844.5 Ų44.510%0.09624%0.236CC..  trans-100.3111.5169-167.9-8.8000109.6D217 G218 E222 L231 F232 F263N215-D217 VanDerWaalsContact C-N 3.31Å; N215-D217 PolarHBondContact OD1-N 3.32Å; N215-D217 VanDerWaalsContact OD1-N 3.09Å; N215-G218 PolarHBondContact OD1-N 2.93Å; N215-E222 PolarHBondContact ND2-OE1 3.37Å; N215-L231 HydrophobicContact CB-CB 3.96Å; N215-F232 PolarHBondContact N-O 2.88Å; N215-F263 WeakPolarHBondContact O-CZ 3.46Å
216H94.8Very high97.2Very high95 Ų9548.9 Ų48.944%0.4425%0.251SS..SBendtrans-77.2-19.5179.8-66.5-102.6000113.3E261 F263H216-E261 IonicContact CE1-OE2 3.55Å; H216-E261 PolarHBondContact CE1-OE2 2.85Å; H216-E261 IonicContact NE2-OE2 3.3Å; H216-F263 AromaticContact ND1-CD2 3.91Å
217D94.2Very high97.2Very high163 Ų16351.3 Ų51.387%0.87228%0.281SS*.SBendtrans-110.80.8-170.7-61.4-49.5000113.2N215N215-D217 VanDerWaalsContact C-N 3.31Å; N215-D217 PolarHBondContact OD1-N 3.32Å; N215-D217 VanDerWaalsContact OD1-N 3.09Å
218G92.9Very high97.2Very high19 Ų1952.8 Ų52.820%0.19629%0.289CS..  trans-143169.4-171.500000114.8N215 G233N215-G218 PolarHBondContact OD1-N 2.93Å; G218-G233 WeakPolarHBondContact O-CA 3.47Å
219L96.2Very high97.1Very high126 Ų12653.2 Ų53.266%0.6629%0.293SS*.SBendtrans-115.7158.2175.1-63.9178.9000110D235L219-D235 WeakPolarHBondContact CA-OD1 3.38Å; L219-D235 HydrophobicContact CD2-CB 4.18Å
220G97.4Very high97.1Very high19 Ų1957.3 Ų57.320%0.19631%0.308CS..SBendtrans70.8-137.1178.400000112.4F232 G233 D235G220-F232 CarbonylContact O-C 3.54Å; G220-F232 WeakPolarHBondContact O-CA 3.31Å; G220-G233 PolarHBondContact O-N 2.86Å; G220-D235 VanDerWaalsContact N-CG 3.33Å; G220-D235 PolarHBondContact N-OD1 2.82Å; G220-D235 PolarHBondContact N-OD2 3.1Å; G220-D235 VanDerWaalsContact N-OD2 3.09Å
221W97.9Very high97.1Very high68 Ų6858.5 Ų58.526%0.25831%0.314SS..EExtended strand (participates in β ladder)trans-128.1132.4-171.5-60.284.9000110.5L181 Q183 W230 L231 F232 A236L181-W221 HydrophobicContact CB-CH2 3.86Å; L181-W221 WeakPolarHBondContact O-CH2 3.32Å; L181-W221 WeakPolarHBondContact O-CZ3 3.48Å; Q183-W221 HydrophobicContact CB-CD2 3.9Å; Q183-W221 HydrophobicContact CB-CE3 3.92Å; Q183-W221 HydrophobicContact CB-CH2 4.04Å; Q183-W221 HydrophobicContact CB-CZ2 4.02Å; Q183-W221 HydrophobicContact CB-CZ3 3.98Å; Q183-W221 HydrophobicContact CG-CD2 3.94Å; Q183-W221 HydrophobicContact CG-CE3 4.46Å; Q183-W221 HydrophobicContact CG-CG 4.18Å; Q183-W221 HydrophobicContact CG-CZ2 4.27Å; W221-W230 HydrophobicContact CE3-CB 3.72Å; W221-W230 HydrophobicContact CE3-CG 4.11Å; W221-W230 HydrophobicContact CZ3-CB 4.18Å; W221-L231 WeakPolarHBondContact CA-O 3.4Å; W221-F232 HydrophobicContact CD2-CB 4.2Å; W221-F232 HydrophobicContact CE3-CB 3.74Å; W221-F232 HydrophobicContact CH2-CB 3.89Å; W221-F232 HydrophobicContact CH2-CG 4.45Å; W221-F232 HydrophobicContact CZ2-CB 4.33Å; W221-F232 HydrophobicContact CZ3-CB 3.58Å; W221-F232 HydrophobicContact CZ3-CD1 4.22Å; W221-F232 HydrophobicContact CZ3-CG 4.25Å; W221-A236 HydrophobicContact CZ2-CB 3.85Å
222E97.2Very high97.1Very high94 Ų9456.9 Ų56.944%0.43931%0.308SS..EExtended strand (participates in β ladder)trans-132.5157.8178.7-67.5-179.1-150.700110.9N215 N224 W230 L231N215-E222 PolarHBondContact ND2-OE1 3.37Å; E222-N224 PolarHBondContact O-N 3.01Å; E222-W230 CarbonylContact O-C 3.48Å; E222-W230 VanDerWaalsContact O-CA 3.31Å; E222-W230 WeakPolarHBondContact O-CA 3.45Å; E222-L231 HydrophobicContact CB-CB 4.32Å; E222-L231 PolarHBondContact N-O 2.93Å; E222-L231 PolarHBondContact O-N 2.98Å
223M96.9Very high97Very high131 Ų13156.9 Ų56.965%0.64531%0.308SS*.EExtended strand (participates in β ladder)trans-65.2130.4175.6-178.166.495.500109.9
224N97.5Very high97Very high6 Ų659.7 Ų59.73%0.03232%0.321CS..  trans-70.5130.3178.8-165-34.5000111.3W211 D213 E222 R226 G227 V228 S229 L231W211-N224 PolarHBondContact O-ND2 3.45Å; D213-N224 PolarHBondContact OD2-ND2 3.27Å; E222-N224 PolarHBondContact O-N 3.01Å; N224-R226 PolarHBondContact O-N 3.47Å; N224-R226 WeakPolarHBondContact OD1-CB 3.21Å; N224-R226 VanDerWaalsContact OD1-CG 3.29Å; N224-R226 WeakPolarHBondContact OD1-CG 3.32Å; N224-R226 PolarHBondContact OD1-N 2.91Å; N224-G227 PolarHBondContact O-N 2.99Å; N224-V228 VanDerWaalsContact CB-O 3.29Å; N224-V228 WeakPolarHBondContact CB-O 3.28Å; N224-S229 WeakPolarHBondContact CB-O 3.32Å; N224-S229 PolarHBondContact N-O 2.95Å; N224-L231 HydrophobicContact CB-CD2 4.07Å; N224-L231 HydrophobicContact CB-CG 4.35Å
225P96.8Very high97Very high118 Ų11862.5 Ų62.577%0.76634%0.336SS*.THydrogen-bonded Turntrans-55.4-17.1171.8-27.435.6000114.7G227 L231P225-G227 PolarHBondContact O-N 3.44Å; P225-L231 HydrophobicContact CG-CD1 4.48Å
226R95.3Very high97Very high109 Ų10961.8 Ų61.841%0.41133%0.333SS..THydrogen-bonded Turntrans-61.4-16168.9-67.6-176.8-163.7-93.410.9113.8D213 N224 V228 H253D213-R226 IonicContact OD1-NE 2.92Å; D213-R226 IonicContact OD1-NH2 3.15Å; D213-R226 PolarHBondContact OD1-NH2 2.99Å; D213-R226 IonicContact OD2-CZ 2.72Å; D213-R226 IonicContact OD2-NE 3.94Å; D213-R226 PolarHBondContact OD2-NE 2.93Å; D213-R226 IonicContact OD2-NH2 2.62Å; D213-R226 PolarHBondContact OD2-NH2 3.27Å; N224-R226 PolarHBondContact O-N 3.47Å; N224-R226 WeakPolarHBondContact OD1-CB 3.21Å; N224-R226 VanDerWaalsContact OD1-CG 3.29Å; N224-R226 WeakPolarHBondContact OD1-CG 3.32Å; N224-R226 PolarHBondContact OD1-N 2.91Å; R226-V228 VanDerWaalsContact C-N 3.3Å; R226-V228 HydrophobicContact CB-CG1 4.17Å; R226-H253 PolarHBondContact NE-NE2 3.47Å; R226-H253 PolarHBondContact NH2-CD2 2.94Å; R226-H253 VanDerWaalsContact NH2-CD2 3.32Å; R226-H253 PolarHBondContact NH2-NE2 3.42Å
227G97Very high97.2Very high67 Ų6757.3 Ų57.369%0.69131%0.312SS*.SBendtrans7912.4-175.800000113.8N224 P225N224-G227 PolarHBondContact O-N 2.99Å; P225-G227 PolarHBondContact O-N 3.44Å
228V97.9Very high97.4Very high31 Ų3151.7 Ų51.719%0.18828%0.281CS..SBendtrans-150.1142.6178.961.80000109.5C207 W211 N224 R226C207-V228 WeakPolarHBondContact SG-CG2 3.28Å; W211-V228 HydrophobicContact CB-CG1 4.18Å; W211-V228 HydrophobicContact CD2-CG1 3.6Å; W211-V228 HydrophobicContact CE3-CG1 3.54Å; W211-V228 HydrophobicContact CG-CG1 3.92Å; W211-V228 HydrophobicContact CG-CG2 4.35Å; W211-V228 HydrophobicContact CZ3-CG1 4.07Å; N224-V228 VanDerWaalsContact CB-O 3.29Å; N224-V228 WeakPolarHBondContact CB-O 3.28Å; R226-V228 VanDerWaalsContact C-N 3.3Å; R226-V228 HydrophobicContact CB-CG1 4.17Å
229S97.8Very high97.7Very high11 Ų1155.8 Ų55.88%0.07730%0.296CS..SBendtrans58.9-160.2-178.3-165.20000113.4D208 A212 N224D208-S229 VanDerWaalsContact CA-OG 3.27Å; D208-S229 WeakPolarHBondContact CA-OG 3.29Å; D208-S229 WeakPolarHBondContact OD1-CB 3.41Å; D208-S229 PolarHBondContact OD1-OG 2.88Å; A212-S229 WeakPolarHBondContact CB-OG 3.45Å; A212-S229 PolarHBondContact N-OG 3.32Å; N224-S229 WeakPolarHBondContact CB-O 3.32Å; N224-S229 PolarHBondContact N-O 2.95Å
230W97.9Very high97.8Very high87 Ų8750 Ų5033%0.3327%0.265SS..EExtended strand (participates in β ladder)trans-122.2153.4-165.6-51.5101.4000112.2A212 D213 W221 E222A212-W230 VanDerWaalsContact CA-O 3.24Å; A212-W230 WeakPolarHBondContact CA-O 3.38Å; A212-W230 WeakPolarHBondContact CB-O 3.29Å; D213-W230 PolarHBondContact N-O 2.89Å; W221-W230 HydrophobicContact CE3-CB 3.72Å; W221-W230 HydrophobicContact CE3-CG 4.11Å; W221-W230 HydrophobicContact CZ3-CB 4.18Å; E222-W230 CarbonylContact O-C 3.48Å; E222-W230 VanDerWaalsContact O-CA 3.31Å; E222-W230 WeakPolarHBondContact O-CA 3.45Å
231L98.5Very high97.8Very high24 Ų2449.3 Ų49.313%0.12626%0.257CS..EExtended strand (participates in β ladder)trans-87.2147.5151.6-51.7-178.3000109.5D213 N215 W221 E222 N224 P225D213-L231 HydrophobicContact CB-CD2 3.76Å; D213-L231 CarbonylContact O-C 3.55Å; D213-L231 WeakPolarHBondContact O-CA 3.48Å; N215-L231 HydrophobicContact CB-CB 3.96Å; W221-L231 WeakPolarHBondContact CA-O 3.4Å; E222-L231 HydrophobicContact CB-CB 4.32Å; E222-L231 PolarHBondContact N-O 2.93Å; E222-L231 PolarHBondContact O-N 2.98Å; N224-L231 HydrophobicContact CB-CD2 4.07Å; N224-L231 HydrophobicContact CB-CG 4.35Å; P225-L231 HydrophobicContact CG-CD1 4.48Å
232F98.7Very high97.8Very high0 Ų054 Ų540%028%0.282CS..EExtended strand (participates in β ladder)trans-132.6133.7175.857.6-93.3000112.7L181 A212 D213 P214 N215 G220 W221 A236 V237 L268L181-F232 HydrophobicContact CB-CD1 4.21Å; L181-F232 HydrophobicContact CB-CD2 4.46Å; L181-F232 HydrophobicContact CB-CE1 4.3Å; L181-F232 HydrophobicContact CB-CG 4.31Å; L181-F232 HydrophobicContact CB-CZ 4.46Å; L181-F232 HydrophobicContact CD1-CD2 4.18Å; L181-F232 HydrophobicContact CD1-CE2 4.21Å; L181-F232 HydrophobicContact CG-CD2 4.43Å; L181-F232 HydrophobicContact CG-CE2 4.2Å; L181-F232 HydrophobicContact CG-CZ 4.3Å; L181-F232 VanDerWaalsContact N-CE1 3.35Å; A212-F232 HydrophobicContact CB-CD1 4.04Å; A212-F232 HydrophobicContact CB-CE1 3.9Å; D213-F232 WeakPolarHBondContact O-CD1 3.46Å; D213-F232 VanDerWaalsContact O-CE1 3.29Å; D213-F232 WeakPolarHBondContact O-CE1 2.99Å; D213-F232 PolarHBondContact O-N 3.16Å; P214-F232 CarbonylContact C-O 3.6Å; P214-F232 WeakPolarHBondContact CA-O 3.38Å; P214-F232 HydrophobicContact CB-CE2 4.03Å; P214-F232 HydrophobicContact CB-CZ 4.23Å; N215-F232 PolarHBondContact N-O 2.88Å; G220-F232 CarbonylContact O-C 3.54Å; G220-F232 WeakPolarHBondContact O-CA 3.31Å; W221-F232 HydrophobicContact CD2-CB 4.2Å; W221-F232 HydrophobicContact CE3-CB 3.74Å; W221-F232 HydrophobicContact CH2-CB 3.89Å; W221-F232 HydrophobicContact CH2-CG 4.45Å; W221-F232 HydrophobicContact CZ2-CB 4.33Å; W221-F232 HydrophobicContact CZ3-CB 3.58Å; W221-F232 HydrophobicContact CZ3-CD1 4.22Å; W221-F232 HydrophobicContact CZ3-CG 4.25Å; F232-A236 HydrophobicContact CB-CB 4.02Å; F232-V237 HydrophobicContact CD2-CG2 3.61Å; F232-V237 HydrophobicContact CE2-CG2 3.6Å; F232-L268 HydrophobicContact CE2-CD1 3.69Å; F232-L268 HydrophobicContact CZ-CD1 3.94Å
233G98.4Very high97.9Very high0 Ų053.6 Ų53.60%028%0.277CS..  trans-78.4176.3-179.600000114.4G218 G220 D235 A236 V237G218-G233 WeakPolarHBondContact O-CA 3.47Å; G220-G233 PolarHBondContact O-N 2.86Å; G233-D235 VanDerWaalsContact C-N 3.28Å; G233-D235 PolarHBondContact O-N 3.07Å; G233-A236 PolarHBondContact O-N 3.33Å; G233-V237 PolarHBondContact O-N 2.94Å
234E98.2Very high97.9Very high63 Ų6348 Ų4829%0.29425%0.249SC..Hα-helixtrans-59.3-39.9178.3162.1170.2128.100111.8A236 V237 L238 F263 A264 K265E234-A236 VanDerWaalsContact C-N 3.33Å; E234-A236 PolarHBondContact O-N 3.49Å; E234-V237 PolarHBondContact O-N 3.44Å; E234-L238 HydrophobicContact CG-CD1 3.78Å; E234-L238 HydrophobicContact CG-CG 4.15Å; E234-L238 WeakPolarHBondContact O-CG 3.45Å; E234-L238 PolarHBondContact O-N 3.14Å; E234-F263 HydrophobicContact CB-CE1 4.39Å; E234-F263 HydrophobicContact CB-CE2 4.46Å; E234-F263 HydrophobicContact CB-CZ 3.96Å; E234-F263 VanDerWaalsContact N-CZ 3.34Å; E234-A264 HydrophobicContact CB-CB 4.14Å; E234-A264 HydrophobicContact CG-CB 3.88Å; E234-A264 VanDerWaalsContact OE2-CA 3.32Å; E234-A264 WeakPolarHBondContact OE2-CA 3.43Å; E234-K265 WeakPolarHBondContact OE1-CE 3.25Å; E234-K265 IonicContact OE1-NZ 3.56Å; E234-K265 PolarHBondContact OE2-N 2.89Å
235D98.2Very high98Very high64 Ų6452.8 Ų52.834%0.34227%0.274SS..Hα-helixtrans-60.1-41.1178.160.1-39.9000112.3L219 G220 G233 V237 L238 E239L219-D235 WeakPolarHBondContact CA-OD1 3.38Å; L219-D235 HydrophobicContact CD2-CB 4.18Å; G220-D235 VanDerWaalsContact N-CG 3.33Å; G220-D235 PolarHBondContact N-OD1 2.82Å; G220-D235 PolarHBondContact N-OD2 3.1Å; G220-D235 VanDerWaalsContact N-OD2 3.09Å; G233-D235 VanDerWaalsContact C-N 3.28Å; G233-D235 PolarHBondContact O-N 3.07Å; D235-V237 VanDerWaalsContact C-N 3.33Å; D235-V237 PolarHBondContact O-N 3.07Å; D235-L238 PolarHBondContact O-N 3.37Å; D235-E239 VanDerWaalsContact O-CB 3.32Å; D235-E239 WeakPolarHBondContact O-CB 3.46Å; D235-E239 PolarHBondContact O-N 2.98Å
236A98.4Very high98Very high3 Ų347.5 Ų47.53%0.02524%0.24CC..Hα-helixtrans-63.4-38.3176.200000112.1W221 F232 G233 E234 F240W221-A236 HydrophobicContact CZ2-CB 3.85Å; F232-A236 HydrophobicContact CB-CB 4.02Å; G233-A236 PolarHBondContact O-N 3.33Å; E234-A236 VanDerWaalsContact C-N 3.33Å; E234-A236 PolarHBondContact O-N 3.49Å; A236-F240 WeakPolarHBondContact O-CB 3.36Å; A236-F240 PolarHBondContact O-N 3.22Å
237V98.6Very high98.1Very high0 Ų043.9 Ų43.90%023%0.228CC..Hα-helixtrans-67-48.3175.5-179.70000111.2L181 F232 G233 E234 D235 E239 F240 C241 F263 A264 H267 L268L181-V237 HydrophobicContact CD1-CB 4.2Å; L181-V237 HydrophobicContact CD1-CG2 3.84Å; F232-V237 HydrophobicContact CD2-CG2 3.61Å; F232-V237 HydrophobicContact CE2-CG2 3.6Å; G233-V237 PolarHBondContact O-N 2.94Å; E234-V237 PolarHBondContact O-N 3.44Å; D235-V237 VanDerWaalsContact C-N 3.33Å; D235-V237 PolarHBondContact O-N 3.07Å; V237-E239 VanDerWaalsContact C-N 3.35Å; V237-E239 PolarHBondContact O-N 3.03Å; V237-F240 PolarHBondContact O-N 3.23Å; V237-C241 PolarHBondContact O-N 3.08Å; V237-C241 PolarHBondContact O-SG 2.91Å; V237-C241 VanDerWaalsContact O-SG 3.41Å; V237-F263 HydrophobicContact CG2-CD1 4Å; V237-F263 HydrophobicContact CG2-CE1 3.77Å; V237-A264 HydrophobicContact CB-CB 3.56Å; V237-A264 HydrophobicContact CG1-CB 3.62Å; V237-A264 HydrophobicContact CG2-CB 3.98Å; V237-H267 HydrophobicContact CG1-CB 4.05Å; V237-L268 HydrophobicContact CG1-CB 3.98Å; V237-L268 HydrophobicContact CG2-CD1 4.13Å
238L98.3Very high98.2Very high45 Ų4540.7 Ų40.724%0.23620%0.196CC..Hα-helixtrans-62.4-43.1-179-65.9176.4000111.4E234 D235 C241 Q242 K265 H267E234-L238 HydrophobicContact CG-CD1 3.78Å; E234-L238 HydrophobicContact CG-CG 4.15Å; E234-L238 WeakPolarHBondContact O-CG 3.45Å; E234-L238 PolarHBondContact O-N 3.14Å; D235-L238 PolarHBondContact O-N 3.37Å; L238-C241 PolarHBondContact O-N 3.23Å; L238-Q242 WeakPolarHBondContact O-CB 3.46Å; L238-Q242 PolarHBondContact O-N 2.95Å; L238-K265 HydrophobicContact CD1-CD 4.37Å; L238-H267 HydrophobicContact CD2-CB 4.23Å; L238-H267 WeakPolarHBondContact CD2-ND1 3.41Å
239E98.1Very high98.2Very high106 Ų10639.2 Ų39.250%0.49519%0.187SC..Hα-helixtrans-63.1-42.5175.2-169.3-166.9139.700111.4D235 V237 Q242 R243D235-E239 VanDerWaalsContact O-CB 3.32Å; D235-E239 WeakPolarHBondContact O-CB 3.46Å; D235-E239 PolarHBondContact O-N 2.98Å; V237-E239 VanDerWaalsContact C-N 3.35Å; V237-E239 PolarHBondContact O-N 3.03Å; E239-Q242 PolarHBondContact O-N 3.19Å; E239-R243 VanDerWaalsContact O-CB 3.27Å; E239-R243 WeakPolarHBondContact O-CB 3.41Å; E239-R243 PolarHBondContact O-N 3.09Å; E239-R243 IonicContact OE1-CZ 3.74Å; E239-R243 IonicContact OE1-NH1 2.71Å; E239-R243 PolarHBondContact OE1-NH1 3.47Å
240F98.5Very high98.3Very high3 Ų338.7 Ų38.71%0.01318%0.183CC..Hα-helixtrans-62.2-49.9177-177.9-89.6000111.7F175 L181 L185 W188 A236 V237 Q242 R243 M244 I246 V249F175-F240 AromaticContact CD1-CE1 3.62Å; F175-F240 HydrophobicContact CD1-CE1 3.62Å; F175-F240 AromaticContact CD1-CZ 3.7Å; F175-F240 HydrophobicContact CD1-CZ 3.7Å; F175-F240 HydrophobicContact CE1-CE1 4.12Å; F175-F240 AromaticContact CE1-CZ 3.72Å; F175-F240 HydrophobicContact CE1-CZ 3.72Å; L181-F240 HydrophobicContact CD1-CB 3.81Å; L181-F240 HydrophobicContact CD1-CD1 4.22Å; L181-F240 HydrophobicContact CD1-CG 3.95Å; L181-F240 HydrophobicContact CD2-CD1 3.55Å; L181-F240 HydrophobicContact CD2-CD2 4.06Å; L181-F240 HydrophobicContact CD2-CE1 3.61Å; L181-F240 HydrophobicContact CD2-CE2 4.12Å; L181-F240 HydrophobicContact CD2-CG 3.79Å; L181-F240 HydrophobicContact CD2-CZ 3.89Å; L181-F240 HydrophobicContact CG-CG 4.45Å; L185-F240 HydrophobicContact CB-CE2 4.32Å; L185-F240 HydrophobicContact CD2-CE2 3.71Å; L185-F240 HydrophobicContact CD2-CZ 3.85Å; L185-F240 HydrophobicContact CG-CE2 3.99Å; W188-F240 HydrophobicContact CH2-CE1 4.35Å; W188-F240 HydrophobicContact CH2-CZ 4.18Å; W188-F240 HydrophobicContact CZ3-CZ 4.4Å; A236-F240 WeakPolarHBondContact O-CB 3.36Å; A236-F240 PolarHBondContact O-N 3.22Å; V237-F240 PolarHBondContact O-N 3.23Å; F240-Q242 VanDerWaalsContact C-N 3.31Å; F240-Q242 PolarHBondContact O-N 2.83Å; F240-R243 PolarHBondContact O-N 2.77Å; F240-M244 HydrophobicContact CD1-CG 4.08Å; F240-M244 HydrophobicContact CD2-CG 3.9Å; F240-M244 HydrophobicContact CE1-CB 4.25Å; F240-M244 HydrophobicContact CE1-CG 3.83Å; F240-M244 HydrophobicContact CE2-CG 3.63Å; F240-M244 HydrophobicContact CE2-SD 4.28Å; F240-M244 HydrophobicContact CG-CG 4.12Å; F240-M244 HydrophobicContact CZ-CB 4.4Å; F240-M244 HydrophobicContact CZ-CE 4.43Å; F240-M244 HydrophobicContact CZ-CG 3.6Å; F240-M244 VanDerWaalsContact O-CB 3.29Å; F240-M244 WeakPolarHBondContact O-CB 3.47Å; F240-M244 WeakPolarHBondContact O-CG 3.32Å; F240-M244 PolarHBondContact O-N 3.33Å; F240-I246 HydrophobicContact CD1-CD1 4.05Å; F240-I246 HydrophobicContact CE1-CD1 3.7Å; F240-V249 HydrophobicContact CD1-CG2 4.23Å; F240-V249 HydrophobicContact CE1-CG2 4.37Å
241C98.4Very high98.3Very high5 Ų534.5 Ų34.53%0.03417%0.167CC..Hα-helixtrans-59.4-42.9179.2-70.20000111.7V237 L238 D245 I246V237-C241 PolarHBondContact O-N 3.08Å; V237-C241 PolarHBondContact O-SG 2.91Å; V237-C241 VanDerWaalsContact O-SG 3.41Å; L238-C241 PolarHBondContact O-N 3.23Å; C241-D245 WeakPolarHBondContact O-CA 3.3Å; C241-D245 PolarHBondContact O-N 3.16Å; C241-I246 HydrophobicContact CB-CG1 4.16Å; C241-I246 WeakPolarHBondContact CB-O 3.39Å; C241-I246 PolarHBondContact O-N 2.94Å; C241-I246 VanDerWaalsContact O-N 3.11Å
242Q98.1Very high98.3Very high166 Ų16633.4 Ų33.478%0.77616%0.161SC*.Hα-helixtrans-63.1-47.8175.6-176.1-179.25.100112.3L238 E239 F240L238-Q242 WeakPolarHBondContact O-CB 3.46Å; L238-Q242 PolarHBondContact O-N 2.95Å; E239-Q242 PolarHBondContact O-N 3.19Å; F240-Q242 VanDerWaalsContact C-N 3.31Å; F240-Q242 PolarHBondContact O-N 2.83Å
243R98Very high98.3Very high87 Ų8734 Ų3433%0.32816%0.164SC..Hα-helixtrans-64.2-41.9-178.6169.9174.549.1-109.9-1112E239 F240 D245E239-R243 VanDerWaalsContact O-CB 3.27Å; E239-R243 WeakPolarHBondContact O-CB 3.41Å; E239-R243 PolarHBondContact O-N 3.09Å; E239-R243 IonicContact OE1-CZ 3.74Å; E239-R243 IonicContact OE1-NH1 2.71Å; E239-R243 PolarHBondContact OE1-NH1 3.47Å; F240-R243 PolarHBondContact O-N 2.77Å; R243-D245 VanDerWaalsContact C-N 3.33Å
244M98.2Very high98.3Very high12 Ų1236.2 Ų36.26%0.05917%0.174CC..Hα-helixtrans-89.9-2.1-172.8-57-62.1-65.400113L186 W188 F240 I246L186-M244 VanDerWaalsContact O-SD 3.39Å; W188-M244 HydrophobicContact CD2-CE 3.3Å; W188-M244 HydrophobicContact CE3-CE 3.49Å; W188-M244 VanDerWaalsContact CE3-CE 3.49Å; W188-M244 HydrophobicContact CG-CE 3.85Å; W188-M244 HydrophobicContact CH2-CB 4.15Å; W188-M244 HydrophobicContact CH2-CE 3.73Å; W188-M244 HydrophobicContact CZ2-CB 3.66Å; W188-M244 HydrophobicContact CZ2-CE 3.61Å; W188-M244 HydrophobicContact CZ2-CG 4.4Å; W188-M244 HydrophobicContact CZ3-CE 3.67Å; F240-M244 HydrophobicContact CD1-CG 4.08Å; F240-M244 HydrophobicContact CD2-CG 3.9Å; F240-M244 HydrophobicContact CE1-CB 4.25Å; F240-M244 HydrophobicContact CE1-CG 3.83Å; F240-M244 HydrophobicContact CE2-CG 3.63Å; F240-M244 HydrophobicContact CE2-SD 4.28Å; F240-M244 HydrophobicContact CG-CG 4.12Å; F240-M244 HydrophobicContact CZ-CB 4.4Å; F240-M244 HydrophobicContact CZ-CE 4.43Å; F240-M244 HydrophobicContact CZ-CG 3.6Å; F240-M244 VanDerWaalsContact O-CB 3.29Å; F240-M244 WeakPolarHBondContact O-CB 3.47Å; F240-M244 WeakPolarHBondContact O-CG 3.32Å; F240-M244 PolarHBondContact O-N 3.33Å; M244-I246 HydrophobicContact CB-CG1 4.35Å
245D97.8Very high98.3Very high107 Ų10735.4 Ų35.457%0.57217%0.174SC*.THydrogen-bonded Turntrans53.254.9-178.5-17124.4000112.9R173 C241 R243R173-D245 IonicContact CZ-OD1 2.82Å; R173-D245 VanDerWaalsContact NH1-CG 3.3Å; R173-D245 PolarHBondContact NH1-O 2.87Å; R173-D245 IonicContact NH1-OD1 3.84Å; R173-D245 PolarHBondContact NH1-OD1 3.41Å; R173-D245 IonicContact NH1-OD2 2.85Å; R173-D245 IonicContact NH2-OD1 3.42Å; C241-D245 WeakPolarHBondContact O-CA 3.3Å; C241-D245 PolarHBondContact O-N 3.16Å; R243-D245 VanDerWaalsContact C-N 3.33Å
246I98.3Very high98.2Very high7 Ų732.8 Ų32.84%0.03616%0.16CC..  trans-128.4158.9176.860.3169.5000110.6L169 R173 F175 W188 F240 C241 M244 V249L169-I246 HydrophobicContact CD1-CG2 4.05Å; R173-I246 WeakPolarHBondContact O-CB 3.4Å; F175-I246 HydrophobicContact CB-CD1 3.48Å; F175-I246 VanDerWaalsContact CB-CD1 3.48Å; F175-I246 HydrophobicContact CG-CD1 4.47Å; W188-I246 HydrophobicContact CH2-CD1 4.43Å; W188-I246 HydrophobicContact CH2-CG2 4.43Å; W188-I246 HydrophobicContact CZ2-CG2 3.76Å; F240-I246 HydrophobicContact CD1-CD1 4.05Å; F240-I246 HydrophobicContact CE1-CD1 3.7Å; C241-I246 HydrophobicContact CB-CG1 4.16Å; C241-I246 WeakPolarHBondContact CB-O 3.39Å; C241-I246 PolarHBondContact O-N 2.94Å; C241-I246 VanDerWaalsContact O-N 3.11Å; M244-I246 HydrophobicContact CB-CG1 4.35Å; I246-V249 HydrophobicContact CD1-CG2 4.03Å
247D97.5Very high98.1Very high33 Ų3338.1 Ų38.118%0.17619%0.185CC..SBendtrans-95.4-32.9-178.5-57.7-48.8000112.3R173 H267 F321R173-D247 WeakPolarHBondContact CB-OD2 3.22Å; R173-D247 IonicContact CZ-OD1 3.8Å; R173-D247 IonicContact CZ-OD2 3.44Å; R173-D247 IonicContact NE-OD1 3.27Å; R173-D247 IonicContact NE-OD2 3.16Å; R173-D247 PolarHBondContact NE-OD2 3.13Å; R173-D247 VanDerWaalsContact NH2-CG 3.33Å; R173-D247 IonicContact NH2-OD1 3.29Å; R173-D247 PolarHBondContact NH2-OD1 2.75Å; R173-D247 IonicContact NH2-OD2 3.73Å; R173-D247 PolarHBondContact NH2-OD2 3.32Å; R173-D247 PolarHBondContact O-N 3.04Å; D247-H267 PolarHBondContact O-CD2 2.8Å; D247-F321 HydrophobicContact CB-CB 3.79Å; D247-F321 HydrophobicContact CB-CG 4.25Å
248L98.4Very high97.9Very high0 Ų042.6 Ų42.60%021%0.206CC..EExtended strand (participates in β ladder)trans-145.2140-170.1-178.266.7000112.1R173 I174 F175 R266 H267 V269 M288 F321R173-L248 PolarHBondContact O-N 2.88Å; I174-L248 CarbonylContact C-O 3.57Å; I174-L248 VanDerWaalsContact CA-O 3.28Å; I174-L248 WeakPolarHBondContact CA-O 3.4Å; I174-L248 HydrophobicContact CD1-CD2 4.43Å; I174-L248 HydrophobicContact CG1-CB 4.24Å; I174-L248 HydrophobicContact CG2-CB 4.09Å; I174-L248 HydrophobicContact CG2-CD2 4.07Å; I174-L248 HydrophobicContact CG2-CG 4.12Å; F175-L248 PolarHBondContact N-O 3.11Å; L248-R266 WeakPolarHBondContact CD1-O 3.26Å; L248-H267 CarbonylContact C-O 3.5Å; L248-H267 WeakPolarHBondContact CA-O 3.35Å; L248-V269 HydrophobicContact CD1-CB 4.33Å; L248-V269 HydrophobicContact CD1-CG1 4.07Å; L248-V269 HydrophobicContact CD2-CG1 4.01Å; L248-V269 HydrophobicContact CG-CG1 4.25Å; L248-M288 HydrophobicContact CD2-CE 3.73Å; L248-M288 HydrophobicContact CD2-SD 4.08Å; L248-F321 HydrophobicContact CD1-CZ 4.13Å; L248-F321 HydrophobicContact CD2-CE2 3.94Å; L248-F321 HydrophobicContact CD2-CZ 4.01Å; L248-F321 HydrophobicContact CG-CZ 4.47Å
249V98.8Very high97.8Very high0 Ų040.5 Ų40.50%019%0.194CC..EExtended strand (participates in β ladder)trans-100.7124.3163.31780000108.4F175 M177 L181 F240 I246 H267 L268 V269F175-V249 CarbonylContact O-C 3.53Å; F175-V249 VanDerWaalsContact O-CA 3.32Å; F175-V249 WeakPolarHBondContact O-CA 3.43Å; M177-V249 HydrophobicContact CE-CG1 4.01Å; M177-V249 HydrophobicContact SD-CG1 3.68Å; L181-V249 HydrophobicContact CD2-CG1 4.24Å; L181-V249 HydrophobicContact CD2-CG2 4.04Å; F240-V249 HydrophobicContact CD1-CG2 4.23Å; F240-V249 HydrophobicContact CE1-CG2 4.37Å; I246-V249 HydrophobicContact CD1-CG2 4.03Å; V249-H267 PolarHBondContact N-O 2.71Å; V249-L268 HydrophobicContact CB-CB 4.24Å; V249-L268 HydrophobicContact CB-CD1 4.13Å; V249-L268 HydrophobicContact CB-CG 4.11Å; V249-L268 HydrophobicContact CG1-CD1 3.89Å; V249-L268 HydrophobicContact CG1-CG 4.17Å; V249-L268 CarbonylContact O-C 3.55Å; V249-L268 VanDerWaalsContact O-CA 3.26Å; V249-L268 WeakPolarHBondContact O-CA 3.46Å; V249-V269 PolarHBondContact O-N 2.58Å
250A98.8Very high97.8Very high0 Ų036.8 Ų36.80%018%0.176CC..EExtended strand (participates in β ladder)trans-110120.8173.700000109.7I66 I174 F175 C176 M177 V269 M288I66-A250 HydrophobicContact CD1-CB 4.31Å; I66-A250 HydrophobicContact CG2-CB 4.47Å; I174-A250 HydrophobicContact CG2-CB 4.04Å; F175-A250 PolarHBondContact O-N 3.2Å; C176-A250 VanDerWaalsContact CA-O 3.27Å; C176-A250 WeakPolarHBondContact CA-O 3.42Å; M177-A250 PolarHBondContact N-O 3.3Å; A250-V269 WeakPolarHBondContact CA-O 3.35Å; A250-V269 HydrophobicContact CB-CG1 3.94Å; A250-M288 HydrophobicContact CB-CE 4.07Å
251R98.8Very high97.7Very high0 Ų040.6 Ų40.60%019%0.194CC..EExtended strand (participates in β ladder)trans-135.5168.9-174.974.485.248.5147-1.3113.2M177 H178 G179 A212 D213 H253 L268 V269 T270 L271M177-R251 WeakPolarHBondContact O-CA 3.17Å; M177-R251 HydrophobicContact SD-CB 4.08Å; H178-R251 PolarHBondContact O-NE 2.94Å; H178-R251 PolarHBondContact O-NH2 2.91Å; G179-R251 WeakPolarHBondContact O-CB 3.44Å; G179-R251 PolarHBondContact O-NE 3.17Å; G179-R251 PolarHBondContact O-NH2 3.37Å; A212-R251 PolarHBondContact O-NH2 3.46Å; D213-R251 IonicContact OD1-CZ 2.77Å; D213-R251 IonicContact OD1-NH1 3.28Å; D213-R251 PolarHBondContact OD1-NH1 3.44Å; D213-R251 IonicContact OD1-NH2 3.59Å; D213-R251 PolarHBondContact OD1-NH2 3.44Å; R251-H253 PolarHBondContact NH2-CD2 3Å; R251-L268 HydrophobicContact CG-CD1 4.3Å; R251-L268 HydrophobicContact CG-CD2 3.98Å; R251-L268 HydrophobicContact CG-CG 4.27Å; R251-V269 PolarHBondContact N-O 2.62Å; R251-T270 VanDerWaalsContact CD-OG1 3.29Å; R251-T270 WeakPolarHBondContact CD-OG1 3.36Å; R251-T270 CarbonylContact O-C 3.43Å; R251-T270 WeakPolarHBondContact O-CA 3.08Å; R251-L271 PolarHBondContact O-N 2.71Å
252A98.8Very high97.6Very high0 Ų042.5 Ų42.50%020%0.202CC..  trans-125.7-133.4-17700000111.5D69 L95 H178 Q254 L271D69-A252 WeakPolarHBondContact OD1-CB 3.27Å; L95-A252 HydrophobicContact CB-CB 3.84Å; L95-A252 HydrophobicContact CD1-CB 4.06Å; H178-A252 CarbonylContact O-C 3.47Å; H178-A252 PolarHBondContact O-N 3.01Å; A252-Q254 PolarHBondContact O-N 3.09Å; A252-L271 VanDerWaalsContact CA-O 3.31Å; A252-L271 WeakPolarHBondContact CA-O 3.38Å
253H98.6Very high97.6Very high14 Ų1435.5 Ų35.57%0.06517%0.169CC..SBendtrans69.6-27.1163.8-17465.4000117.1D69 N129 H178 W211 D213 R226 R251D69-H253 PolarHBondContact OD1-N 3.44Å; D69-H253 WeakPolarHBondContact OD2-CA 3.25Å; D69-H253 PolarHBondContact OD2-N 2.83Å; N129-H253 PolarHBondContact ND2-CE1 3.41Å; N129-H253 PolarHBondContact OD1-CE1 3.36Å; N129-H253 PolarHBondContact OD1-ND1 3.14Å; H178-H253 AromaticContact CD2-ND1 3.76Å; H178-H253 AromaticContact NE2-CG 3.82Å; H178-H253 AromaticContact NE2-ND1 3.35Å; H178-H253 PolarHBondContact NE2-ND1 3.11Å; H178-H253 WeakPolarHBondContact O-CB 3.41Å; W211-H253 AromaticContact CE3-CE1 3.96Å; D213-H253 IonicContact OD1-CD2 3.64Å; D213-H253 PolarHBondContact OD1-CD2 3.01Å; R226-H253 PolarHBondContact NE-NE2 3.47Å; R226-H253 PolarHBondContact NH2-CD2 2.94Å; R226-H253 VanDerWaalsContact NH2-CD2 3.32Å; R226-H253 PolarHBondContact NH2-NE2 3.42Å; R251-H253 PolarHBondContact NH2-CD2 3Å
254Q98.1Very high97.5Very high45 Ų4531.5 Ų31.521%0.2115%0.154CC..SBendtrans-108.9126.4174.9-74.9175.6-47.600110.3D213 P214 A252 V256 T270 F272D213-Q254 VanDerWaalsContact OD1-CG 3.23Å; D213-Q254 WeakPolarHBondContact OD1-CG 3.44Å; D213-Q254 PolarHBondContact OD1-NE2 2.74Å; P214-Q254 VanDerWaalsContact CG-OE1 3.3Å; A252-Q254 PolarHBondContact O-N 3.09Å; Q254-V256 PolarHBondContact O-N 2.92Å; Q254-T270 HydrophobicContact CB-CG2 4.17Å; Q254-F272 WeakPolarHBondContact O-CD2 3.28Å
255V97.6Very high97.4Very high47 Ų4737.9 Ų37.929%0.28518%0.181SC..  trans-64.1120.4170.4-172.30000108.6F272 Y277 F281 N283V255-F272 HydrophobicContact CB-CD2 4.33Å; V255-F272 HydrophobicContact CB-CE2 4.22Å; V255-F272 HydrophobicContact CB-CZ 4.4Å; V255-F272 HydrophobicContact CG1-CD1 4.32Å; V255-F272 HydrophobicContact CG1-CE1 4.32Å; V255-F272 HydrophobicContact CG2-CD2 4.17Å; V255-F272 HydrophobicContact CG2-CE1 4.14Å; V255-F272 HydrophobicContact CG2-CE2 3.57Å; V255-F272 HydrophobicContact CG2-CZ 3.57Å; V255-Y277 HydrophobicContact CG2-CD1 3.49Å; V255-Y277 VanDerWaalsContact CG2-CD1 3.49Å; V255-Y277 HydrophobicContact CG2-CE1 3.77Å; V255-Y277 HydrophobicContact CG2-CG 4.21Å; V255-F281 HydrophobicContact CB-CD1 4.35Å; V255-F281 HydrophobicContact CG1-CD1 3.91Å; V255-F281 HydrophobicContact CG2-CD1 4.28Å; V255-F281 HydrophobicContact CG2-CE1 4.2Å; V255-N283 HydrophobicContact CG1-CB 4.07Å
256V96.8Very high97.3Very high9 Ų938 Ų386%0.05517%0.174CC..  trans-116.3135.5174.6-71.70000109.3Q254 E258 G259 E261 T270 F272Q254-V256 PolarHBondContact O-N 2.92Å; V256-E258 VanDerWaalsContact C-N 3.33Å; V256-E258 PolarHBondContact O-N 3.43Å; V256-G259 PolarHBondContact O-N 3.44Å; V256-E261 HydrophobicContact CB-CB 4.1Å; V256-E261 HydrophobicContact CG1-CB 3.7Å; V256-T270 HydrophobicContact CG1-CG2 3.69Å; V256-T270 HydrophobicContact CG2-CG2 4.23Å; V256-F272 HydrophobicContact CG2-CB 3.97Å
257Q96Very high97.2Very high115 Ų11540.7 Ų40.754%0.53719%0.186SC..THydrogen-bonded Turntrans-62.1-37.2-166.2-79.2-63.2-12.600113.9G259 F281 N283 I284Q257-G259 VanDerWaalsContact C-N 3.29Å; Q257-G259 PolarHBondContact O-N 3.15Å; Q257-F281 PolarHBondContact NE2-O 3.33Å; Q257-N283 WeakPolarHBondContact O-CA 3.41Å; Q257-I284 PolarHBondContact O-N 2.94Å
258E95Very high97.3Very high94 Ų9439.1 Ų39.144%0.43918%0.178SC..THydrogen-bonded Turntrans-89.17-179.9-64-68.9129.100113V256 Y260 K316V256-E258 VanDerWaalsContact C-N 3.33Å; V256-E258 PolarHBondContact O-N 3.43Å; E258-Y260 HydrophobicContact CB-CD1 4.28Å; E258-Y260 HydrophobicContact CB-CE1 4.06Å; E258-Y260 WeakPolarHBondContact O-CD1 3.2Å; E258-Y260 PolarHBondContact O-N 2.98Å; E258-K316 IonicContact OE2-NZ 2.74Å
259G95.8Very high97.3Very high0 Ų039.1 Ų39.10%018%0.178CC..SBendtrans76.4-8.5-17400000114.6V256 Q257 F272 I284 G286V256-G259 PolarHBondContact O-N 3.44Å; Q257-G259 VanDerWaalsContact C-N 3.29Å; Q257-G259 PolarHBondContact O-N 3.15Å; G259-F272 PolarHBondContact O-N 3.01Å; G259-I284 WeakPolarHBondContact CA-O 3.2Å; G259-I284 PolarHBondContact N-O 3.18Å; G259-G286 WeakPolarHBondContact O-CA 3.29Å
260Y97Very high97.3Very high29 Ų2939.1 Ų39.111%0.11418%0.178CC..EExtended strand (participates in β ladder)trans-148.6155.2170.172.8-70.7000110.8E258 F262 T270 I298 V300 K316 F318E258-Y260 HydrophobicContact CB-CD1 4.28Å; E258-Y260 HydrophobicContact CB-CE1 4.06Å; E258-Y260 WeakPolarHBondContact O-CD1 3.2Å; E258-Y260 PolarHBondContact O-N 2.98Å; Y260-F262 HydrophobicContact CD2-CD2 4.25Å; Y260-F262 HydrophobicContact CD2-CE2 4.11Å; Y260-F262 HydrophobicContact CE2-CD2 4.2Å; Y260-F262 HydrophobicContact CE2-CE2 4.04Å; Y260-T270 CarbonylContact C-O 3.46Å; Y260-T270 WeakPolarHBondContact CA-O 3.38Å; Y260-I298 HydrophobicContact CD1-CG2 3.63Å; Y260-I298 HydrophobicContact CD2-CG1 4.08Å; Y260-I298 HydrophobicContact CE1-CG2 4.11Å; Y260-I298 HydrophobicContact CE2-CG1 4.39Å; Y260-I298 HydrophobicContact CG-CD1 4.47Å; Y260-I298 HydrophobicContact CG-CG1 4.19Å; Y260-I298 HydrophobicContact CG-CG2 3.91Å; Y260-V300 HydrophobicContact CD1-CG1 4.35Å; Y260-V300 HydrophobicContact CE1-CG1 4.37Å; Y260-K316 HydrophobicContact CE1-CD 4.5Å; Y260-K316 VanDerWaalsContact OH-CD 3.26Å; Y260-K316 WeakPolarHBondContact OH-CD 3.47Å; Y260-F318 HydrophobicContact CE2-CD2 4.46Å; Y260-F318 AromaticContact CE2-CE2 3.74Å; Y260-F318 HydrophobicContact CE2-CE2 3.74Å; Y260-F318 HydrophobicContact CE2-CZ 4.21Å; Y260-F318 AromaticContact CZ-CE2 3.84Å
261E96.8Very high97.3Very high83 Ų8339.1 Ų39.139%0.38818%0.178SC..EExtended strand (participates in β ladder)trans-148.4134.1171.2-172.7170.3-11900110.6H216 V256 V269 T270H216-E261 IonicContact CE1-OE2 3.55Å; H216-E261 PolarHBondContact CE1-OE2 2.85Å; H216-E261 IonicContact NE2-OE2 3.3Å; V256-E261 HydrophobicContact CB-CB 4.1Å; V256-E261 HydrophobicContact CG1-CB 3.7Å; E261-V269 CarbonylContact O-C 3.58Å; E261-V269 WeakPolarHBondContact O-CA 3.41Å; E261-T270 PolarHBondContact N-O 3.37Å; E261-T270 PolarHBondContact O-N 3.07Å
262F96.9Very high97.3Very high45 Ų4539.2 Ų39.220%0.19718%0.178CC..EExtended strand (participates in β ladder)trans-92.6140.7173.6-76.3-73.1000110.9Y260 R266 L268 V269 F318Y260-F262 HydrophobicContact CD2-CD2 4.25Å; Y260-F262 HydrophobicContact CD2-CE2 4.11Å; Y260-F262 HydrophobicContact CE2-CD2 4.2Å; Y260-F262 HydrophobicContact CE2-CE2 4.04Å; F262-R266 HydrophobicContact CB-CB 4.42Å; F262-R266 HydrophobicContact CB-CG 4Å; F262-R266 HydrophobicContact CD1-CB 3.82Å; F262-R266 HydrophobicContact CD1-CG 4.1Å; F262-R266 HydrophobicContact CE1-CB 4.35Å; F262-R266 HydrophobicContact CG-CB 4.23Å; F262-R266 HydrophobicContact CG-CG 3.99Å; F262-L268 WeakPolarHBondContact CA-O 3.31Å; F262-V269 HydrophobicContact CD1-CB 3.93Å; F262-V269 HydrophobicContact CD1-CG2 4.18Å; F262-V269 HydrophobicContact CE1-CB 3.86Å; F262-V269 HydrophobicContact CE1-CG2 4.02Å; F262-V269 HydrophobicContact CZ-CG2 4.39Å; F262-F318 HydrophobicContact CE2-CB 4.15Å; F262-F318 HydrophobicContact CE2-CD2 4.05Å; F262-F318 HydrophobicContact CE2-CG 4.01Å; F262-F318 HydrophobicContact CZ-CB 4.14Å; F262-F318 HydrophobicContact CZ-CG 4.48Å
263F97.4Very high97.2Very high19 Ų1939.5 Ų39.58%0.08318%0.18CC..EExtended strand (participates in β ladder)trans-131.5168.4176.4179.1-111.6000110.4P214 N215 H216 E234 V237 K265 R266 H267 L268P214-F263 HydrophobicContact CB-CD1 3.8Å; P214-F263 HydrophobicContact CB-CE1 3.86Å; P214-F263 HydrophobicContact CB-CG 4.15Å; P214-F263 HydrophobicContact CB-CZ 4.28Å; N215-F263 WeakPolarHBondContact O-CZ 3.46Å; H216-F263 AromaticContact ND1-CD2 3.91Å; E234-F263 HydrophobicContact CB-CE1 4.39Å; E234-F263 HydrophobicContact CB-CE2 4.46Å; E234-F263 HydrophobicContact CB-CZ 3.96Å; E234-F263 VanDerWaalsContact N-CZ 3.34Å; V237-F263 HydrophobicContact CG2-CD1 4Å; V237-F263 HydrophobicContact CG2-CE1 3.77Å; F263-K265 PolarHBondContact O-N 2.74Å; F263-R266 CarbonylContact O-C 3.58Å; F263-R266 VanDerWaalsContact O-CA 3.29Å; F263-R266 WeakPolarHBondContact O-CA 3.36Å; F263-R266 PolarHBondContact O-N 2.84Å; F263-H267 PolarHBondContact O-N 3.41Å; F263-L268 HydrophobicContact CB-CB 4.29Å; F263-L268 HydrophobicContact CB-CD2 3.92Å; F263-L268 HydrophobicContact CD1-CB 4.34Å; F263-L268 HydrophobicContact CD1-CD2 4.45Å; F263-L268 PolarHBondContact N-O 2.79Å; F263-L268 PolarHBondContact O-N 3.38Å
264A97.1Very high97.2Very high2 Ų238.9 Ų38.92%0.01718%0.177CC..G310 helixtrans50.456.9173.400000114.2E234 V237 R266 H267E234-A264 HydrophobicContact CB-CB 4.14Å; E234-A264 HydrophobicContact CG-CB 3.88Å; E234-A264 VanDerWaalsContact OE2-CA 3.32Å; E234-A264 WeakPolarHBondContact OE2-CA 3.43Å; V237-A264 HydrophobicContact CB-CB 3.56Å; V237-A264 HydrophobicContact CG1-CB 3.62Å; V237-A264 HydrophobicContact CG2-CB 3.98Å; A264-R266 PolarHBondContact O-N 2.62Å; A264-R266 VanDerWaalsContact O-N 3.14Å; A264-H267 WeakPolarHBondContact O-CB 3.49Å; A264-H267 PolarHBondContact O-N 3.09Å; A264-H267 PolarHBondContact O-ND1 2.72Å
265K94.6Very high97Very high146 Ų14636.7 Ų36.764%0.63517%0.167SC*.G310 helixtrans50.936.8-173.7-56.4174.1-178.3153.50113.6E234 L238 F263 H267E234-K265 WeakPolarHBondContact OE1-CE 3.25Å; E234-K265 IonicContact OE1-NZ 3.56Å; E234-K265 PolarHBondContact OE2-N 2.89Å; L238-K265 HydrophobicContact CD1-CD 4.37Å; F263-K265 PolarHBondContact O-N 2.74Å; K265-H267 VanDerWaalsContact C-N 3.33Å; K265-H267 PolarHBondContact O-ND1 3.39Å
266R95.8Very high96.9Very high109 Ų10935.9 Ų35.941%0.41116%0.161SC..G310 helixtrans70.115.4-176.9-50.3-178.1170.1-171-3.6115.8L248 F262 F263 A264 L268 C319 F321L248-R266 WeakPolarHBondContact CD1-O 3.26Å; F262-R266 HydrophobicContact CB-CB 4.42Å; F262-R266 HydrophobicContact CB-CG 4Å; F262-R266 HydrophobicContact CD1-CB 3.82Å; F262-R266 HydrophobicContact CD1-CG 4.1Å; F262-R266 HydrophobicContact CE1-CB 4.35Å; F262-R266 HydrophobicContact CG-CB 4.23Å; F262-R266 HydrophobicContact CG-CG 3.99Å; F263-R266 CarbonylContact O-C 3.58Å; F263-R266 VanDerWaalsContact O-CA 3.29Å; F263-R266 WeakPolarHBondContact O-CA 3.36Å; F263-R266 PolarHBondContact O-N 2.84Å; A264-R266 PolarHBondContact O-N 2.62Å; A264-R266 VanDerWaalsContact O-N 3.14Å; R266-L268 VanDerWaalsContact C-N 3.25Å; R266-C319 PolarHBondContact NH1-SG 3.33Å; R266-F321 HydrophobicContact CB-CE1 4.45Å; R266-F321 WeakPolarHBondContact O-CE1 3.43Å
267H97.4Very high96.8Very high64 Ų6435.9 Ų35.930%0.29616%0.16SC..THydrogen-bonded Turntrans-81.7-5.6170.9-65.978.3000112.9V237 L238 D247 L248 V249 F263 A264 K265V237-H267 HydrophobicContact CG1-CB 4.05Å; L238-H267 HydrophobicContact CD2-CB 4.23Å; L238-H267 WeakPolarHBondContact CD2-ND1 3.41Å; D247-H267 PolarHBondContact O-CD2 2.8Å; L248-H267 CarbonylContact C-O 3.5Å; L248-H267 WeakPolarHBondContact CA-O 3.35Å; V249-H267 PolarHBondContact N-O 2.71Å; F263-H267 PolarHBondContact O-N 3.41Å; A264-H267 WeakPolarHBondContact O-CB 3.49Å; A264-H267 PolarHBondContact O-N 3.09Å; A264-H267 PolarHBondContact O-ND1 2.72Å; K265-H267 VanDerWaalsContact C-N 3.33Å; K265-H267 PolarHBondContact O-ND1 3.39Å
268L98.5Very high96.3Very high0 Ų033 Ų330%016%0.161CC..EExtended strand (participates in β ladder)trans-132.5140.4168.4-176.8150.6000110.3F232 V237 V249 R251 F262 F263 R266F232-L268 HydrophobicContact CE2-CD1 3.69Å; F232-L268 HydrophobicContact CZ-CD1 3.94Å; V237-L268 HydrophobicContact CG1-CB 3.98Å; V237-L268 HydrophobicContact CG2-CD1 4.13Å; V249-L268 HydrophobicContact CB-CB 4.24Å; V249-L268 HydrophobicContact CB-CD1 4.13Å; V249-L268 HydrophobicContact CB-CG 4.11Å; V249-L268 HydrophobicContact CG1-CD1 3.89Å; V249-L268 HydrophobicContact CG1-CG 4.17Å; V249-L268 CarbonylContact O-C 3.55Å; V249-L268 VanDerWaalsContact O-CA 3.26Å; V249-L268 WeakPolarHBondContact O-CA 3.46Å; R251-L268 HydrophobicContact CG-CD1 4.3Å; R251-L268 HydrophobicContact CG-CD2 3.98Å; R251-L268 HydrophobicContact CG-CG 4.27Å; F262-L268 WeakPolarHBondContact CA-O 3.31Å; F263-L268 HydrophobicContact CB-CB 4.29Å; F263-L268 HydrophobicContact CB-CD2 3.92Å; F263-L268 HydrophobicContact CD1-CB 4.34Å; F263-L268 HydrophobicContact CD1-CD2 4.45Å; F263-L268 PolarHBondContact N-O 2.79Å; F263-L268 PolarHBondContact O-N 3.38Å; R266-L268 VanDerWaalsContact C-N 3.25Å
269V98.3Very high95.9Very high0 Ų030.4 Ų30.40%016%0.16CC..EExtended strand (participates in β ladder)trans-125.3127169.464.60000110L248 V249 A250 R251 E261 F262 L271 M288L248-V269 HydrophobicContact CD1-CB 4.33Å; L248-V269 HydrophobicContact CD1-CG1 4.07Å; L248-V269 HydrophobicContact CD2-CG1 4.01Å; L248-V269 HydrophobicContact CG-CG1 4.25Å; V249-V269 PolarHBondContact O-N 2.58Å; A250-V269 WeakPolarHBondContact CA-O 3.35Å; A250-V269 HydrophobicContact CB-CG1 3.94Å; R251-V269 PolarHBondContact N-O 2.62Å; E261-V269 CarbonylContact O-C 3.58Å; E261-V269 WeakPolarHBondContact O-CA 3.41Å; F262-V269 HydrophobicContact CD1-CB 3.93Å; F262-V269 HydrophobicContact CD1-CG2 4.18Å; F262-V269 HydrophobicContact CE1-CB 3.86Å; F262-V269 HydrophobicContact CE1-CG2 4.02Å; F262-V269 HydrophobicContact CZ-CG2 4.39Å; V269-L271 HydrophobicContact CG2-CD2 4.07Å; V269-L271 HydrophobicContact CG2-CG 4.38Å; V269-M288 HydrophobicContact CG1-CE 3.92Å; V269-M288 HydrophobicContact CG1-SD 3.98Å
270T98.7Very high95.5Very high1 Ų137.5 Ų37.51%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-90.3134.7166.7-600000108.3R251 Q254 V256 Y260 E261R251-T270 VanDerWaalsContact CD-OG1 3.29Å; R251-T270 WeakPolarHBondContact CD-OG1 3.36Å; R251-T270 CarbonylContact O-C 3.43Å; R251-T270 WeakPolarHBondContact O-CA 3.08Å; Q254-T270 HydrophobicContact CB-CG2 4.17Å; V256-T270 HydrophobicContact CG1-CG2 3.69Å; V256-T270 HydrophobicContact CG2-CG2 4.23Å; Y260-T270 CarbonylContact C-O 3.46Å; Y260-T270 WeakPolarHBondContact CA-O 3.38Å; E261-T270 PolarHBondContact N-O 3.37Å; E261-T270 PolarHBondContact O-N 3.07Å
271L98.6Very high95.3Very high0 Ų041.1 Ų41.10%021%0.214CC..EExtended strand (participates in β ladder)trans-124.4137.4178.4-63.5171.2000109.7I66 R251 A252 V269 M288 I298I66-L271 HydrophobicContact CB-CD1 4.11Å; I66-L271 HydrophobicContact CG2-CD1 3.79Å; R251-L271 PolarHBondContact O-N 2.71Å; A252-L271 VanDerWaalsContact CA-O 3.31Å; A252-L271 WeakPolarHBondContact CA-O 3.38Å; V269-L271 HydrophobicContact CG2-CD2 4.07Å; V269-L271 HydrophobicContact CG2-CG 4.38Å; L271-M288 HydrophobicContact CD1-CB 3.86Å; L271-M288 HydrophobicContact CD2-CB 4.05Å; L271-I298 HydrophobicContact CD2-CD1 4.13Å
272F98.4Very high95.1Very high2 Ų238.9 Ų38.91%0.00921%0.214CC..BIsolated β-bridgetrans-134.9116.3175.6-161.2-89.3000109D69 Q254 V255 V256 G259 A274 Y277 A285 G286D69-F272 HydrophobicContact CB-CD2 3.76Å; D69-F272 HydrophobicContact CB-CE1 4.44Å; D69-F272 HydrophobicContact CB-CE2 3.39Å; D69-F272 HydrophobicContact CB-CG 4.42Å; D69-F272 HydrophobicContact CB-CZ 3.77Å; D69-F272 WeakPolarHBondContact OD1-CD2 3.47Å; D69-F272 VanDerWaalsContact OD1-CE2 3.28Å; D69-F272 WeakPolarHBondContact OD1-CE2 3.25Å; Q254-F272 WeakPolarHBondContact O-CD2 3.28Å; V255-F272 HydrophobicContact CB-CD2 4.33Å; V255-F272 HydrophobicContact CB-CE2 4.22Å; V255-F272 HydrophobicContact CB-CZ 4.4Å; V255-F272 HydrophobicContact CG1-CD1 4.32Å; V255-F272 HydrophobicContact CG1-CE1 4.32Å; V255-F272 HydrophobicContact CG2-CD2 4.17Å; V255-F272 HydrophobicContact CG2-CE1 4.14Å; V255-F272 HydrophobicContact CG2-CE2 3.57Å; V255-F272 HydrophobicContact CG2-CZ 3.57Å; V256-F272 HydrophobicContact CG2-CB 3.97Å; G259-F272 PolarHBondContact O-N 3.01Å; F272-A274 HydrophobicContact CD1-CB 4.23Å; F272-A274 WeakPolarHBondContact CD1-O 3.42Å; F272-A274 HydrophobicContact CE1-CB 3.63Å; F272-A274 WeakPolarHBondContact CE1-O 3.45Å; F272-A274 HydrophobicContact CZ-CB 4.38Å; F272-Y277 AromaticContact CE1-CD2 3.98Å; F272-Y277 HydrophobicContact CE1-CD2 3.98Å; F272-Y277 AromaticContact CE1-CG 3.88Å; F272-Y277 HydrophobicContact CE1-CG 3.88Å; F272-Y277 HydrophobicContact CZ-CD1 4.21Å; F272-Y277 AromaticContact CZ-CD2 3.77Å; F272-Y277 HydrophobicContact CZ-CD2 3.77Å; F272-Y277 HydrophobicContact CZ-CE1 4.47Å; F272-Y277 HydrophobicContact CZ-CE2 4.07Å; F272-Y277 AromaticContact CZ-CG 3.81Å; F272-Y277 HydrophobicContact CZ-CG 3.81Å; F272-A285 CarbonylContact O-C 3.18Å; F272-A285 VanDerWaalsContact O-CA 3.29Å; F272-A285 WeakPolarHBondContact O-CA 3.31Å; F272-G286 PolarHBondContact O-N 3.37Å
273S98.4Very high95Very high5 Ų536.8 Ų36.84%0.03520%0.204CC..  trans-101.88.6-167.3-62.20000114.6C67 G68 D69 A285 G286C67-S273 WeakPolarHBondContact CA-OG 3.49Å; G68-S273 PolarHBondContact N-OG 3.27Å; D69-S273 CarbonylContact O-C 3.23Å; D69-S273 VanDerWaalsContact O-CA 3.29Å; D69-S273 WeakPolarHBondContact O-CA 3.14Å; D69-S273 WeakPolarHBondContact O-CB 3.27Å; D69-S273 PolarHBondContact O-N 3.31Å; D69-S273 VanDerWaalsContact O-N 3.09Å; S273-A285 VanDerWaalsContact O-CB 3.27Å; S273-A285 WeakPolarHBondContact O-CB 3.38Å; S273-G286 PolarHBondContact OG-O 2.95Å
274A97Very high94.9Very high1 Ų136.6 Ų36.61%0.00820%0.204CC..  trans-107113.2174.900000111.4D69 F272 N283D69-A274 PolarHBondContact O-N 3.46Å; D69-A274 VanDerWaalsContact O-N 3.07Å; F272-A274 HydrophobicContact CD1-CB 4.23Å; F272-A274 WeakPolarHBondContact CD1-O 3.42Å; F272-A274 HydrophobicContact CE1-CB 3.63Å; F272-A274 WeakPolarHBondContact CE1-O 3.45Å; F272-A274 HydrophobicContact CZ-CB 4.38Å; A274-N283 PolarHBondContact O-ND2 3.05Å
275P95.6Very high94.9Very high0 Ų036.6 Ų36.60%020%0.204CC..THydrogen-bonded Turntrans-81.7151.3-179.933.7-33.1000110.9Q73 D76 Y277 A285 L301Q73-P275 PolarHBondContact NE2-O 2.98Å; D76-P275 HydrophobicContact CB-CG 3.8Å; D76-P275 VanDerWaalsContact CG-CG 3.46Å; D76-P275 WeakPolarHBondContact OD1-CG 3.37Å; P275-Y277 PolarHBondContact O-N 3.38Å; P275-A285 HydrophobicContact CB-CB 3.83Å; P275-A285 HydrophobicContact CG-CB 4.08Å; P275-L301 HydrophobicContact CG-CD2 4.12Å; P275-L301 HydrophobicContact CG-CG 4.33Å
276N94.9Very high94.9Very high29 Ų2929.7 Ų29.716%0.15518%0.175CC..THydrogen-bonded Turntrans41.854.5-175.1-172.339.5000111.4G278 G279 D280 F281 G282 N283N276-G278 PolarHBondContact O-N 3.43Å; N276-G279 PolarHBondContact ND2-O 3.31Å; N276-G279 WeakPolarHBondContact O-CA 3.18Å; N276-G279 PolarHBondContact O-N 2.97Å; N276-G279 PolarHBondContact OD1-O 2.7Å; N276-D280 PolarHBondContact OD1-N 2.9Å; N276-F281 PolarHBondContact OD1-N 3.49Å; N276-G282 WeakPolarHBondContact OD1-CA 3.35Å; N276-G282 PolarHBondContact OD1-N 2.9Å; N276-N283 PolarHBondContact N-O 3.45Å; N276-N283 PolarHBondContact N-OD1 3.26Å
277Y94.1Very high95Very high10 Ų1024.6 Ų24.64%0.03916%0.156CC..G310 helixtrans-50134.3-172174.1-122000111.6H71 R101 V255 F272 P275 G279 D280 F281 N283H71-Y277 HydrophobicContact CB-CD2 4.47Å; H71-Y277 HydrophobicContact CB-CE2 3.78Å; H71-Y277 AromaticContact CD2-CE2 3.25Å; H71-Y277 WeakPolarHBondContact CD2-CE2 3.26Å; H71-Y277 AromaticContact CD2-CZ 3.67Å; H71-Y277 PolarHBondContact CD2-OH 3.24Å; H71-Y277 AromaticContact CG-CE2 3.71Å; H71-Y277 AromaticContact NE2-CE2 3.99Å; H71-Y277 AromaticContact NE2-CZ 3.94Å; H71-Y277 PolarHBondContact NE2-OH 3.17Å; R101-Y277 HydrophobicContact CB-CE2 4.26Å; R101-Y277 HydrophobicContact CG-CE2 4.32Å; R101-Y277 WeakPolarHBondContact CG-OH 3.31Å; R101-Y277 PolarHBondContact NE-OH 3.21Å; R101-Y277 PolarHBondContact NH1-OH 3.01Å; V255-Y277 HydrophobicContact CG2-CD1 3.49Å; V255-Y277 VanDerWaalsContact CG2-CD1 3.49Å; V255-Y277 HydrophobicContact CG2-CE1 3.77Å; V255-Y277 HydrophobicContact CG2-CG 4.21Å; F272-Y277 AromaticContact CE1-CD2 3.98Å; F272-Y277 HydrophobicContact CE1-CD2 3.98Å; F272-Y277 AromaticContact CE1-CG 3.88Å; F272-Y277 HydrophobicContact CE1-CG 3.88Å; F272-Y277 HydrophobicContact CZ-CD1 4.21Å; F272-Y277 AromaticContact CZ-CD2 3.77Å; F272-Y277 HydrophobicContact CZ-CD2 3.77Å; F272-Y277 HydrophobicContact CZ-CE1 4.47Å; F272-Y277 HydrophobicContact CZ-CE2 4.07Å; F272-Y277 AromaticContact CZ-CG 3.81Å; F272-Y277 HydrophobicContact CZ-CG 3.81Å; P275-Y277 PolarHBondContact O-N 3.38Å; Y277-G279 PolarHBondContact O-N 3.4Å; Y277-D280 PolarHBondContact O-N 3.17Å; Y277-F281 HydrophobicContact CD1-CD1 4.03Å; Y277-F281 AromaticContact CD1-CD2 3.79Å; Y277-F281 HydrophobicContact CD1-CD2 3.79Å; Y277-F281 HydrophobicContact CD1-CE1 4.06Å; Y277-F281 AromaticContact CD1-CE2 3.82Å; Y277-F281 HydrophobicContact CD1-CE2 3.82Å; Y277-F281 AromaticContact CD1-CG 3.89Å; Y277-F281 HydrophobicContact CD1-CG 3.89Å; Y277-F281 AromaticContact CD1-CZ 3.95Å; Y277-F281 HydrophobicContact CD1-CZ 3.95Å; Y277-F281 HydrophobicContact CE1-CE2 4.21Å; Y277-F281 HydrophobicContact CE1-CZ 4.15Å; Y277-F281 HydrophobicContact CG-CD2 4.48Å; Y277-F281 WeakPolarHBondContact O-CB 3.3Å; Y277-F281 WeakPolarHBondContact O-CD2 3.23Å; Y277-F281 PolarHBondContact O-N 3.47Å; Y277-N283 VanDerWaalsContact CB-OD1 3.3Å; Y277-N283 WeakPolarHBondContact CB-OD1 3.39Å; Y277-N283 PolarHBondContact N-OD1 3.47Å
278G86.8Confident95Very high53 Ų5321.5 Ų21.555%0.54614%0.141SC..G310 helixtrans63.84.6-177.900000115.2N276N276-G278 PolarHBondContact O-N 3.43Å
279G86.4Confident95Very high40 Ų4022.8 Ų22.841%0.41215%0.15SC..G310 helixtrans91.4-11.3-176.700000115.2N276 Y277N276-G279 PolarHBondContact ND2-O 3.31Å; N276-G279 WeakPolarHBondContact O-CA 3.18Å; N276-G279 PolarHBondContact O-N 2.97Å; N276-G279 PolarHBondContact OD1-O 2.7Å; Y277-G279 PolarHBondContact O-N 3.4Å
280D87.7Confident95Very high150 Ų15022.9 Ų22.980%0.80215%0.151SC*.THydrogen-bonded Turntrans-133.3-10.4-166.1-66.8-31000114.9N276 Y277 G282N276-D280 PolarHBondContact OD1-N 2.9Å; Y277-D280 PolarHBondContact O-N 3.17Å; D280-G282 PolarHBondContact O-N 2.92Å
281F92.2Very high94.9Very high104 Ų10424.7 Ų24.746%0.45616%0.16SC..SBendtrans-77.4-19.7-174.3-84.6-115.1000114.1V255 Q257 N276 Y277 N283V255-F281 HydrophobicContact CB-CD1 4.35Å; V255-F281 HydrophobicContact CG1-CD1 3.91Å; V255-F281 HydrophobicContact CG2-CD1 4.28Å; V255-F281 HydrophobicContact CG2-CE1 4.2Å; Q257-F281 PolarHBondContact NE2-O 3.33Å; N276-F281 PolarHBondContact OD1-N 3.49Å; Y277-F281 HydrophobicContact CD1-CD1 4.03Å; Y277-F281 AromaticContact CD1-CD2 3.79Å; Y277-F281 HydrophobicContact CD1-CD2 3.79Å; Y277-F281 HydrophobicContact CD1-CE1 4.06Å; Y277-F281 AromaticContact CD1-CE2 3.82Å; Y277-F281 HydrophobicContact CD1-CE2 3.82Å; Y277-F281 AromaticContact CD1-CG 3.89Å; Y277-F281 HydrophobicContact CD1-CG 3.89Å; Y277-F281 AromaticContact CD1-CZ 3.95Å; Y277-F281 HydrophobicContact CD1-CZ 3.95Å; Y277-F281 HydrophobicContact CE1-CE2 4.21Å; Y277-F281 HydrophobicContact CE1-CZ 4.15Å; Y277-F281 HydrophobicContact CG-CD2 4.48Å; Y277-F281 WeakPolarHBondContact O-CB 3.3Å; Y277-F281 WeakPolarHBondContact O-CD2 3.23Å; Y277-F281 PolarHBondContact O-N 3.47Å; F281-N283 WeakPolarHBondContact CB-OD1 3.41Å; F281-N283 PolarHBondContact O-N 2.96Å
282G92.2Very high94.7Very high37 Ų3728.1 Ų28.138%0.38119%0.189SC..  trans66.50.8179.700000115.7N276 D280N276-G282 WeakPolarHBondContact OD1-CA 3.35Å; N276-G282 PolarHBondContact OD1-N 2.9Å; D280-G282 PolarHBondContact O-N 2.92Å
283N95.3Very high94.5Very high0 Ų032.9 Ų32.90%021%0.214CC..PPolyproline II helixtrans-68.3159-17971-71000112.2V255 Q257 A274 N276 Y277 F281V255-N283 HydrophobicContact CG1-CB 4.07Å; Q257-N283 WeakPolarHBondContact O-CA 3.41Å; A274-N283 PolarHBondContact O-ND2 3.05Å; N276-N283 PolarHBondContact N-O 3.45Å; N276-N283 PolarHBondContact N-OD1 3.26Å; Y277-N283 VanDerWaalsContact CB-OD1 3.3Å; Y277-N283 WeakPolarHBondContact CB-OD1 3.39Å; Y277-N283 PolarHBondContact N-OD1 3.47Å; F281-N283 WeakPolarHBondContact CB-OD1 3.41Å; F281-N283 PolarHBondContact O-N 2.96Å
284I94.7Very high94.3Very high16 Ų1634.7 Ų34.78%0.08222%0.224CC..PPolyproline II helixtrans-90.3152.7170.8-51.9169.8000108.1Q257 G259 V300 L301 F302Q257-I284 PolarHBondContact O-N 2.94Å; G259-I284 WeakPolarHBondContact CA-O 3.2Å; G259-I284 PolarHBondContact N-O 3.18Å; I284-V300 HydrophobicContact CG2-CB 3.75Å; I284-V300 HydrophobicContact CG2-CG2 4.26Å; I284-L301 WeakPolarHBondContact CG2-O 3.3Å; I284-F302 HydrophobicContact CD1-CD1 4.09Å; I284-F302 HydrophobicContact CD1-CE1 3.38Å; I284-F302 HydrophobicContact CD1-CZ 3.69Å; I284-F302 HydrophobicContact CG1-CD1 4Å; I284-F302 HydrophobicContact CG1-CE1 3.83Å; I284-F302 HydrophobicContact CG1-CZ 4.41Å; I284-F302 HydrophobicContact CG2-CD1 4.42Å; I284-F302 HydrophobicContact CG2-CD2 4.4Å; I284-F302 HydrophobicContact CG2-CE1 4.45Å; I284-F302 HydrophobicContact CG2-CE2 4.4Å; I284-F302 HydrophobicContact CG2-CG 4.4Å; I284-F302 HydrophobicContact CG2-CZ 4.45Å
285A96.2Very high94.2Very high1 Ų140.5 Ų40.51%0.00825%0.245CC..EExtended strand (participates in β ladder)trans-89.3145.2168.300000111.2F272 S273 P275 V300 L301F272-A285 CarbonylContact O-C 3.18Å; F272-A285 VanDerWaalsContact O-CA 3.29Å; F272-A285 WeakPolarHBondContact O-CA 3.31Å; S273-A285 VanDerWaalsContact O-CB 3.27Å; S273-A285 WeakPolarHBondContact O-CB 3.38Å; P275-A285 HydrophobicContact CB-CB 3.83Å; P275-A285 HydrophobicContact CG-CB 4.08Å; A285-V300 CarbonylContact O-C 3.59Å; A285-V300 WeakPolarHBondContact O-CA 3.49Å; A285-L301 HydrophobicContact CB-CB 3.97Å; A285-L301 HydrophobicContact CB-CD2 4.42Å; A285-L301 PolarHBondContact N-O 3.4Å; A285-L301 PolarHBondContact O-N 3.47Å
286G95.2Very high94.2Very high2 Ų240.6 Ų40.62%0.02125%0.246CC..EExtended strand (participates in β ladder)trans-130.2150.3177.200000112.7G259 F272 S273 S299G259-G286 WeakPolarHBondContact O-CA 3.29Å; F272-G286 PolarHBondContact O-N 3.37Å; S273-G286 PolarHBondContact OG-O 2.95Å; G286-S299 CarbonylContact C-O 3.51Å; G286-S299 WeakPolarHBondContact CA-O 3.27Å
287A98.1Very high94.2Very high1 Ų143 Ų431%0.00826%0.255CS..EExtended strand (participates in β ladder)trans-141.9145.416800000109.8T65 I66 L80 I84 I298 S299T65-A287 HydrophobicContact CG2-CB 3.96Å; I66-A287 WeakPolarHBondContact O-CA 3.42Å; L80-A287 HydrophobicContact CD1-CB 4.47Å; I84-A287 HydrophobicContact CD1-CB 3.71Å; A287-I298 WeakPolarHBondContact O-CA 3.41Å; A287-S299 PolarHBondContact N-O 3.46Å; A287-S299 PolarHBondContact O-N 3.07Å
288M98.1Very high94.3Very high0 Ų042.6 Ų42.60%025%0.253CS..EExtended strand (participates in β ladder)trans-110.4112.5-177-17617271.500111.4T65 I66 L248 A250 V269 L271 V290 C296 K297 I298T65-M288 CarbonylContact C-O 3.48Å; T65-M288 WeakPolarHBondContact CA-O 3.33Å; I66-M288 HydrophobicContact CD1-CE 3.74Å; I66-M288 PolarHBondContact N-O 3.37Å; I66-M288 PolarHBondContact O-N 2.85Å; L248-M288 HydrophobicContact CD2-CE 3.73Å; L248-M288 HydrophobicContact CD2-SD 4.08Å; A250-M288 HydrophobicContact CB-CE 4.07Å; V269-M288 HydrophobicContact CG1-CE 3.92Å; V269-M288 HydrophobicContact CG1-SD 3.98Å; L271-M288 HydrophobicContact CD1-CB 3.86Å; L271-M288 HydrophobicContact CD2-CB 4.05Å; M288-V290 HydrophobicContact CE-CG2 4.17Å; M288-V290 HydrophobicContact CG-CG2 4.46Å; M288-C296 HydrophobicContact CG-CB 4.15Å; M288-C296 HydrophobicContact SD-CB 3.91Å; M288-K297 CarbonylContact C-O 3.58Å; M288-K297 WeakPolarHBondContact CA-O 3.42Å; M288-I298 HydrophobicContact CB-CD1 3.56Å; M288-I298 HydrophobicContact CG-CD1 3.66Å; M288-I298 HydrophobicContact SD-CD1 4.1Å
289S97.9Very high94.7Very high27 Ų2740.4 Ų40.419%0.18923%0.23CC..EExtended strand (participates in β ladder)trans-85.5131.1169.4-57.20000110.5V64 T65 C296 K297V64-S289 WeakPolarHBondContact O-CA 3.26Å; T65-S289 PolarHBondContact OG1-OG 2.82Å; S289-C296 WeakPolarHBondContact O-CA 3.35Å; S289-K297 PolarHBondContact N-O 3.29Å; S289-K297 PolarHBondContact O-N 3.09Å
290V97.6Very high95Very high1 Ų138.9 Ų38.91%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-112.6120.6175-172.60000107.8T62 P63 V64 I66 I174 M288 L294 R295T62-V290 HydrophobicContact CG2-CB 4.38Å; T62-V290 HydrophobicContact CG2-CG1 3.79Å; P63-V290 WeakPolarHBondContact CA-O 3.42Å; V64-V290 HydrophobicContact CG1-CB 4.29Å; V64-V290 PolarHBondContact N-O 2.75Å; V64-V290 PolarHBondContact O-N 3.12Å; I66-V290 HydrophobicContact CD1-CG2 4.08Å; I174-V290 HydrophobicContact CD1-CB 4.38Å; I174-V290 HydrophobicContact CD1-CG1 3.74Å; I174-V290 HydrophobicContact CD1-CG2 3.73Å; M288-V290 HydrophobicContact CE-CG2 4.17Å; M288-V290 HydrophobicContact CG-CG2 4.46Å; V290-L294 HydrophobicContact CG1-CD2 4.03Å; V290-R295 WeakPolarHBondContact CA-O 3.43Å
291D96.7Very high95.2Very high39 Ų3932 Ų3221%0.20918%0.176CC..  trans-87.6178.1179.381.81.3000113.1T62 N293 L294 R295T62-D291 WeakPolarHBondContact CB-O 3.43Å; T62-D291 WeakPolarHBondContact CG2-O 3.44Å; D291-N293 PolarHBondContact O-N 3.14Å; D291-N293 VanDerWaalsContact O-N 3.09Å; D291-N293 WeakPolarHBondContact OD1-CA 3.21Å; D291-N293 PolarHBondContact OD1-N 3.42Å; D291-L294 PolarHBondContact O-N 3.37Å; D291-L294 PolarHBondContact OD1-N 3.22Å; D291-R295 PolarHBondContact N-O 3.41Å; D291-R295 VanDerWaalsContact N-O 3.11Å; D291-R295 WeakPolarHBondContact OD1-CB 3.5Å; D291-R295 PolarHBondContact OD1-N 3.48Å; D291-R295 IonicContact OD1-NE 3.8Å; D291-R295 IonicContact OD2-CZ 3.14Å; D291-R295 IonicContact OD2-NE 2.77Å; D291-R295 PolarHBondContact OD2-NE 2.73Å; D291-R295 IonicContact OD2-NH2 2.69Å; D291-R295 PolarHBondContact OD2-NH2 2.98Å
292A95.7Very high95.1Very high73 Ų7328.9 Ų28.960%0.60316%0.162SC*.THydrogen-bonded Turntrans-62.9-13.3-179.700000114.7
293N94.7Very high94.7Very high101 Ų10127.8 Ų27.854%0.5415%0.149SC..THydrogen-bonded Turntrans-106.317.5175.6-57.7-60.1000111.7D291 R295D291-N293 PolarHBondContact O-N 3.14Å; D291-N293 VanDerWaalsContact O-N 3.09Å; D291-N293 WeakPolarHBondContact OD1-CA 3.21Å; D291-N293 PolarHBondContact OD1-N 3.42Å; N293-R295 HydrophobicContact CB-CG 4.36Å; N293-R295 PolarHBondContact O-N 2.82Å
294L93.9Very high93.6Very high44 Ų4434 Ų3423%0.2317%0.173CC..  trans59.621-177.3-58173.3000114.7T62 A171 R173 V290 D291T62-L294 HydrophobicContact CG2-CD2 3.99Å; A171-L294 HydrophobicContact CB-CD2 3.77Å; R173-L294 HydrophobicContact CB-CD1 3.96Å; R173-L294 HydrophobicContact CG-CD1 3.73Å; V290-L294 HydrophobicContact CG1-CD2 4.03Å; D291-L294 PolarHBondContact O-N 3.37Å; D291-L294 PolarHBondContact OD1-N 3.22Å
295R94.3Very high92Very high123 Ų12340.3 Ų40.346%0.46421%0.207SC..  trans-77.1131.6173.8-60.3-178.4-61.11721.6109.3V290 D291 N293 Q320V290-R295 WeakPolarHBondContact CA-O 3.43Å; D291-R295 PolarHBondContact N-O 3.41Å; D291-R295 VanDerWaalsContact N-O 3.11Å; D291-R295 WeakPolarHBondContact OD1-CB 3.5Å; D291-R295 PolarHBondContact OD1-N 3.48Å; D291-R295 IonicContact OD1-NE 3.8Å; D291-R295 IonicContact OD2-CZ 3.14Å; D291-R295 IonicContact OD2-NE 2.77Å; D291-R295 PolarHBondContact OD2-NE 2.73Å; D291-R295 IonicContact OD2-NH2 2.69Å; D291-R295 PolarHBondContact OD2-NH2 2.98Å; N293-R295 HydrophobicContact CB-CG 4.36Å; N293-R295 PolarHBondContact O-N 2.82Å; R295-Q320 HydrophobicContact CG-CG 4.45Å
296C95Very high89.8Confident2 Ų244.5 Ų44.51%0.01423%0.229CC..EExtended strand (participates in β ladder)trans-100130.9-177.5-67.80000111.4M288 S289 F318 F321M288-C296 HydrophobicContact CG-CB 4.15Å; M288-C296 HydrophobicContact SD-CB 3.91Å; S289-C296 WeakPolarHBondContact O-CA 3.35Å; C296-F318 PolarHBondContact O-N 2.59Å; C296-F318 VanDerWaalsContact O-N 3.09Å; C296-F321 HydrophobicContact CB-CE2 4.37Å
297K95.2Very high87.5Confident79 Ų7949.9 Ų49.934%0.34325%0.252SS..EExtended strand (participates in β ladder)trans-128.2123.8177.9-178.9-169.9174.5-154.20109.3M288 S289 N315M288-K297 CarbonylContact C-O 3.58Å; M288-K297 WeakPolarHBondContact CA-O 3.42Å; S289-K297 PolarHBondContact N-O 3.29Å; S289-K297 PolarHBondContact O-N 3.09Å; K297-N315 WeakPolarHBondContact CE-OD1 3.08Å; K297-N315 PolarHBondContact NZ-ND2 2.86Å; K297-N315 VanDerWaalsContact NZ-ND2 3.2Å; K297-N315 PolarHBondContact NZ-OD1 2.74Å
298I95.9Very high84.6Confident1 Ų157.6 Ų57.61%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-92125.7175.5-53.6-62.5000109.6Y260 L271 A287 M288 V300 K316 F318Y260-I298 HydrophobicContact CD1-CG2 3.63Å; Y260-I298 HydrophobicContact CD2-CG1 4.08Å; Y260-I298 HydrophobicContact CE1-CG2 4.11Å; Y260-I298 HydrophobicContact CE2-CG1 4.39Å; Y260-I298 HydrophobicContact CG-CD1 4.47Å; Y260-I298 HydrophobicContact CG-CG1 4.19Å; Y260-I298 HydrophobicContact CG-CG2 3.91Å; L271-I298 HydrophobicContact CD2-CD1 4.13Å; A287-I298 WeakPolarHBondContact O-CA 3.41Å; M288-I298 HydrophobicContact CB-CD1 3.56Å; M288-I298 HydrophobicContact CG-CD1 3.66Å; M288-I298 HydrophobicContact SD-CD1 4.1Å; I298-V300 HydrophobicContact CG2-CG1 3.86Å; I298-K316 PolarHBondContact N-O 3.21Å; I298-K316 PolarHBondContact O-N 3.19Å; I298-K316 VanDerWaalsContact O-N 3.08Å; I298-F318 HydrophobicContact CG1-CD2 4.15Å; I298-F318 HydrophobicContact CG1-CE2 4.46Å
299S95Very high82.1Confident7 Ų765.3 Ų65.35%0.04933%0.333CS..EExtended strand (participates in β ladder)trans-100.6130.5167.8-61.10000108.4G286 A287 N315G286-S299 CarbonylContact C-O 3.51Å; G286-S299 WeakPolarHBondContact CA-O 3.27Å; A287-S299 PolarHBondContact N-O 3.46Å; A287-S299 PolarHBondContact O-N 3.07Å; S299-N315 PolarHBondContact OG-OD1 3.09Å
300V93.9Very high79.2Confident9 Ų972.4 Ų72.46%0.05536%0.361CS..EExtended strand (participates in β ladder)trans-118.5139179.2-56.40000113Y260 I284 A285 I298 F302 F313 L314Y260-V300 HydrophobicContact CD1-CG1 4.35Å; Y260-V300 HydrophobicContact CE1-CG1 4.37Å; I284-V300 HydrophobicContact CG2-CB 3.75Å; I284-V300 HydrophobicContact CG2-CG2 4.26Å; A285-V300 CarbonylContact O-C 3.59Å; A285-V300 WeakPolarHBondContact O-CA 3.49Å; I298-V300 HydrophobicContact CG2-CG1 3.86Å; V300-F302 HydrophobicContact CG2-CE2 3.93Å; V300-F313 WeakPolarHBondContact O-CD1 3.25Å; V300-L314 HydrophobicContact CG2-CB 4.21Å
301L91.8Very high76.4Confident5 Ų581.4 Ų81.43%0.02640%0.396CS..EExtended strand (participates in β ladder)trans-117.1123.6-178171.371.3000110.4D76 R79 L80 P275 I284 A285 F313D76-L301 HydrophobicContact CB-CD2 4.41Å; D76-L301 WeakPolarHBondContact O-CD2 3.44Å; R79-L301 HydrophobicContact CB-CD1 4.16Å; R79-L301 HydrophobicContact CB-CD2 4.27Å; L80-L301 HydrophobicContact CB-CD2 4.35Å; P275-L301 HydrophobicContact CG-CD2 4.12Å; P275-L301 HydrophobicContact CG-CG 4.33Å; I284-L301 WeakPolarHBondContact CG2-O 3.3Å; A285-L301 HydrophobicContact CB-CB 3.97Å; A285-L301 HydrophobicContact CB-CD2 4.42Å; A285-L301 PolarHBondContact N-O 3.4Å; A285-L301 PolarHBondContact O-N 3.47Å; L301-F313 HydrophobicContact CB-CD1 4.39Å; L301-F313 HydrophobicContact CB-CE1 3.71Å; L301-F313 HydrophobicContact CB-CZ 4.38Å; L301-F313 HydrophobicContact CD1-CE1 3.42Å; L301-F313 VanDerWaalsContact CD1-CE1 3.42Å; L301-F313 HydrophobicContact CD1-CE2 4.11Å; L301-F313 HydrophobicContact CD1-CZ 3.18Å; L301-F313 HydrophobicContact CG-CE1 4.16Å; L301-F313 HydrophobicContact CG-CZ 4.35Å
302F90.2Very high73.9Confident39 Ų3983.4 Ų83.417%0.17141%0.406CS..  trans-89.1150.1176.4-67.2-99000111.8R79 I284 V300 F307 L312R79-F302 PolarHBondContact NH1-O 3.32Å; R79-F302 VanDerWaalsContact NH1-O 3.11Å; R79-F302 PolarHBondContact NH2-O 3.47Å; I284-F302 HydrophobicContact CD1-CD1 4.09Å; I284-F302 HydrophobicContact CD1-CE1 3.38Å; I284-F302 HydrophobicContact CD1-CZ 3.69Å; I284-F302 HydrophobicContact CG1-CD1 4Å; I284-F302 HydrophobicContact CG1-CE1 3.83Å; I284-F302 HydrophobicContact CG1-CZ 4.41Å; I284-F302 HydrophobicContact CG2-CD1 4.42Å; I284-F302 HydrophobicContact CG2-CD2 4.4Å; I284-F302 HydrophobicContact CG2-CE1 4.45Å; I284-F302 HydrophobicContact CG2-CE2 4.4Å; I284-F302 HydrophobicContact CG2-CG 4.4Å; I284-F302 HydrophobicContact CG2-CZ 4.45Å; V300-F302 HydrophobicContact CG2-CE2 3.93Å; F302-F307 HydrophobicContact CD1-CD2 4.41Å; F302-F307 HydrophobicContact CD1-CE2 4.3Å; F302-F307 HydrophobicContact CE1-CE2 4.39Å; F302-L312 WeakPolarHBondContact CD2-O 3.25Å; F302-L312 HydrophobicContact CE2-CB 4.41Å; F302-L312 WeakPolarHBondContact CE2-O 3.04Å
303S83Confident71.7Confident14 Ų1481.6 Ų81.610%0.09839%0.385CS..  trans-64.2150.1169-175.20000111.2N305 L306S303-N305 PolarHBondContact O-N 3.28Å; S303-N305 VanDerWaalsContact O-N 3.15Å; S303-L306 PolarHBondContact O-N 2.77Å
304Y72.2Confident69.8Low131 Ų13181.1 Ų81.151%0.51438%0.382SS..G310 helixtrans-52.1-35.9179.3-79.5-76.1000113.7E75 R79 L306E75-Y304 HydrophobicContact CG-CE2 4Å; E75-Y304 PolarHBondContact OE1-OH 2.99Å; R79-Y304 VanDerWaalsContact CD-CE2 3.41Å; R79-Y304 VanDerWaalsContact CD-CZ 3.43Å; R79-Y304 VanDerWaalsContact CD-OH 3.24Å; R79-Y304 WeakPolarHBondContact CD-OH 3.44Å; Y304-L306 VanDerWaalsContact C-N 3.31Å; Y304-L306 PolarHBondContact O-N 3.18Å
305N61Low67.9Low148 Ų14882.5 Ų82.579%0.79139%0.389SS*.G310 helixtrans-78.4-10-171.6-70.9-22.8000114.4S303S303-N305 PolarHBondContact O-N 3.28Å; S303-N305 VanDerWaalsContact O-N 3.15Å
306L50.8Low66.2Low89 Ų8980.3 Ų80.347%0.46638%0.383SS..G310 helixtrans-89.4-20.7-173.9-88.1153000114.1S303 Y304S303-L306 PolarHBondContact O-N 2.77Å; Y304-L306 VanDerWaalsContact C-N 3.31Å; Y304-L306 PolarHBondContact O-N 3.18Å
307F46.6Very low64.1Low114 Ų11484.9 Ų84.950%0.541%0.414SS..SBendtrans-148.7127.1176.5-72.8-82.6000112.3F302 L309 L312F302-F307 HydrophobicContact CD1-CD2 4.41Å; F302-F307 HydrophobicContact CD1-CE2 4.3Å; F302-F307 HydrophobicContact CE1-CE2 4.39Å; F307-L309 PolarHBondContact O-N 3.4Å; F307-L312 HydrophobicContact CD1-CD1 4.19Å; F307-L312 HydrophobicContact CE1-CD1 4.34Å; F307-L312 HydrophobicContact CG-CD1 4.29Å
308N38.2Very low62.3Low164 Ų16483.2 Ų83.288%0.87741%0.407SS*.SBendtrans-46.7109.9168-88.6-47.3000111.1F310N308-F310 PolarHBondContact O-N 3.5Å
309L43.6Very low60Low162 Ų16286.3 Ų86.385%0.84843%0.428SS*.SBendtrans41.61.5157.6-114.389000122.4F307F307-L309 PolarHBondContact O-N 3.4Å
310F37.6Very low57.8Low176 Ų17692.8 Ų92.877%0.77246%0.457SS*.SBendtrans-127.692.6175.8-92.7-91.1000110.8N308 L312N308-F310 PolarHBondContact O-N 3.5Å; F310-L312 PolarHBondContact O-N 2.94Å
311Y38.5Very low55.7Low190 Ų19097.6 Ų97.675%0.74548%0.478SS*.  trans9.2101.5148.1-69.2-96.9000115.5F313Y311-F313 AromaticContact CD1-CD2 3.86Å; Y311-F313 HydrophobicContact CD1-CD2 3.86Å; Y311-F313 AromaticContact CD1-CE2 3.61Å; Y311-F313 HydrophobicContact CD1-CE2 3.61Å; Y311-F313 HydrophobicContact CE1-CE2 4.04Å
312L45.6Very low53.9Low81 Ų81102.2 Ų102.242%0.42450%0.5SS..  trans-113.867.5161.8-78.7168.1000108.8F302 F307 F310 L314F302-L312 WeakPolarHBondContact CD2-O 3.25Å; F302-L312 HydrophobicContact CE2-CB 4.41Å; F302-L312 WeakPolarHBondContact CE2-O 3.04Å; F307-L312 HydrophobicContact CD1-CD1 4.19Å; F307-L312 HydrophobicContact CE1-CD1 4.34Å; F307-L312 HydrophobicContact CG-CD1 4.29Å; F310-L312 PolarHBondContact O-N 2.94Å; L312-L314 PolarHBondContact O-N 3.4Å
313F49.7Very low52Low34 Ų34105.5 Ų105.515%0.14952%0.518CS..  trans-77114.1159.6-70-97.8000108.2Y83 V300 L301 Y311Y83-F313 HydrophobicContact CD1-CB 4.25Å; Y83-F313 AromaticContact CD1-CD1 3.03Å; Y83-F313 HydrophobicContact CD1-CD1 3.03Å; Y83-F313 HydrophobicContact CD1-CD2 4.29Å; Y83-F313 AromaticContact CD1-CE1 3.15Å; Y83-F313 HydrophobicContact CD1-CE1 3.15Å; Y83-F313 HydrophobicContact CD1-CE2 4.37Å; Y83-F313 AromaticContact CD1-CG 3.65Å; Y83-F313 HydrophobicContact CD1-CG 3.65Å; Y83-F313 AromaticContact CD1-CZ 3.84Å; Y83-F313 HydrophobicContact CD1-CZ 3.84Å; Y83-F313 HydrophobicContact CD2-CB 3.9Å; Y83-F313 AromaticContact CD2-CD1 3.57Å; Y83-F313 HydrophobicContact CD2-CD1 3.57Å; Y83-F313 AromaticContact CD2-CD2 3.19Å; Y83-F313 HydrophobicContact CD2-CD2 3.19Å; Y83-F313 AromaticContact CD2-CE1 3.73Å; Y83-F313 HydrophobicContact CD2-CE1 3.73Å; Y83-F313 AromaticContact CD2-CE2 3.36Å; Y83-F313 HydrophobicContact CD2-CE2 3.36Å; Y83-F313 AromaticContact CD2-CG 3.29Å; Y83-F313 HydrophobicContact CD2-CG 3.29Å; Y83-F313 AromaticContact CD2-CZ 3.61Å; Y83-F313 HydrophobicContact CD2-CZ 3.61Å; Y83-F313 HydrophobicContact CE1-CB 3.6Å; Y83-F313 AromaticContact CE1-CD1 3.18Å; Y83-F313 HydrophobicContact CE1-CD1 3.18Å; Y83-F313 HydrophobicContact CE1-CD2 4.44Å; Y83-F313 AromaticContact CE1-CE1 3.85Å; Y83-F313 HydrophobicContact CE1-CE1 3.85Å; Y83-F313 AromaticContact CE1-CG 3.53Å; Y83-F313 HydrophobicContact CE1-CG 3.53Å; Y83-F313 HydrophobicContact CE2-CB 3.18Å; Y83-F313 AromaticContact CE2-CD1 3.71Å; Y83-F313 HydrophobicContact CE2-CD1 3.71Å; Y83-F313 AromaticContact CE2-CD2 3.39Å; Y83-F313 HydrophobicContact CE2-CD2 3.39Å; Y83-F313 HydrophobicContact CE2-CE1 4.34Å; Y83-F313 HydrophobicContact CE2-CE2 4.07Å; Y83-F313 AromaticContact CE2-CG 3.16Å; Y83-F313 HydrophobicContact CE2-CG 3.16Å; Y83-F313 HydrophobicContact CE2-CZ 4.47Å; Y83-F313 HydrophobicContact CG-CB 4.38Å; Y83-F313 AromaticContact CG-CD1 3.24Å; Y83-F313 HydrophobicContact CG-CD1 3.24Å; Y83-F313 AromaticContact CG-CD2 3.69Å; Y83-F313 HydrophobicContact CG-CD2 3.69Å; Y83-F313 AromaticContact CG-CE1 3.08Å; Y83-F313 HydrophobicContact CG-CE1 3.08Å; Y83-F313 AromaticContact CG-CE2 3.55Å; Y83-F313 HydrophobicContact CG-CE2 3.55Å; Y83-F313 AromaticContact CG-CG 3.53Å; Y83-F313 HydrophobicContact CG-CG 3.53Å; Y83-F313 AromaticContact CG-CZ 3.22Å; Y83-F313 HydrophobicContact CG-CZ 3.22Å; Y83-F313 AromaticContact CZ-CD1 3.52Å; Y83-F313 AromaticContact CZ-CG 3.29Å; Y83-F313 WeakPolarHBondContact OH-CB 3.29Å; V300-F313 WeakPolarHBondContact O-CD1 3.25Å; L301-F313 HydrophobicContact CB-CD1 4.39Å; L301-F313 HydrophobicContact CB-CE1 3.71Å; L301-F313 HydrophobicContact CB-CZ 4.38Å; L301-F313 HydrophobicContact CD1-CE1 3.42Å; L301-F313 VanDerWaalsContact CD1-CE1 3.42Å; L301-F313 HydrophobicContact CD1-CE2 4.11Å; L301-F313 HydrophobicContact CD1-CZ 3.18Å; L301-F313 HydrophobicContact CG-CE1 4.16Å; L301-F313 HydrophobicContact CG-CZ 4.35Å; Y311-F313 AromaticContact CD1-CD2 3.86Å; Y311-F313 HydrophobicContact CD1-CD2 3.86Å; Y311-F313 AromaticContact CD1-CE2 3.61Å; Y311-F313 HydrophobicContact CD1-CE2 3.61Å; Y311-F313 HydrophobicContact CE1-CE2 4.04Å
314L53.2Low50.3Low91 Ų91110.6 Ų110.648%0.47654%0.541SS..  trans-97.6125.7174.8-70.9170.7000108.7V300 L312V300-L314 HydrophobicContact CG2-CB 4.21Å; L312-L314 PolarHBondContact O-N 3.4Å
315N55.6Low49Very low73 Ų73109.4 Ų109.439%0.3954%0.543SS..EExtended strand (participates in β ladder)trans-90.5120.9172.5-74.3-52.3000108.9Y83 K297 S299Y83-N315 PolarHBondContact OH-ND2 2.83Å; K297-N315 WeakPolarHBondContact CE-OD1 3.08Å; K297-N315 PolarHBondContact NZ-ND2 2.86Å; K297-N315 VanDerWaalsContact NZ-ND2 3.2Å; K297-N315 PolarHBondContact NZ-OD1 2.74Å; S299-N315 PolarHBondContact OG-OD1 3.09Å
316K57.8Low48.2Very low78 Ų78107 Ų10734%0.33953%0.527SS..EExtended strand (participates in β ladder)trans-110.2121.1170.9-65.5178.2177171.80108.8E258 Y260 I298 F318E258-K316 IonicContact OE2-NZ 2.74Å; Y260-K316 HydrophobicContact CE1-CD 4.5Å; Y260-K316 VanDerWaalsContact OH-CD 3.26Å; Y260-K316 WeakPolarHBondContact OH-CD 3.47Å; I298-K316 PolarHBondContact N-O 3.21Å; I298-K316 PolarHBondContact O-N 3.19Å; I298-K316 VanDerWaalsContact O-N 3.08Å; K316-F318 HydrophobicContact CB-CD2 3.98Å; K316-F318 HydrophobicContact CB-CE2 3.24Å; K316-F318 HydrophobicContact CB-CZ 3.75Å; K316-F318 HydrophobicContact CD-CE2 4.02Å; K316-F318 HydrophobicContact CD-CZ 3.95Å; K316-F318 HydrophobicContact CG-CE2 4.23Å; K316-F318 HydrophobicContact CG-CZ 4.37Å
317C49.9Very low48Very low98 Ų98108.2 Ų108.266%0.66253%0.531SS*.EExtended strand (participates in β ladder)trans-95.3123.5179.4-155.50000108.7
318F58Low48.1Very low43 Ų43107.8 Ų107.819%0.18953%0.533CS..EExtended strand (participates in β ladder)trans-128.7102.5-176.7-66.5-76.9000109.7Y260 F262 C296 I298 K316Y260-F318 HydrophobicContact CE2-CD2 4.46Å; Y260-F318 AromaticContact CE2-CE2 3.74Å; Y260-F318 HydrophobicContact CE2-CE2 3.74Å; Y260-F318 HydrophobicContact CE2-CZ 4.21Å; Y260-F318 AromaticContact CZ-CE2 3.84Å; F262-F318 HydrophobicContact CE2-CB 4.15Å; F262-F318 HydrophobicContact CE2-CD2 4.05Å; F262-F318 HydrophobicContact CE2-CG 4.01Å; F262-F318 HydrophobicContact CZ-CB 4.14Å; F262-F318 HydrophobicContact CZ-CG 4.48Å; C296-F318 PolarHBondContact O-N 2.59Å; C296-F318 VanDerWaalsContact O-N 3.09Å; I298-F318 HydrophobicContact CG1-CD2 4.15Å; I298-F318 HydrophobicContact CG1-CE2 4.46Å; K316-F318 HydrophobicContact CB-CD2 3.98Å; K316-F318 HydrophobicContact CB-CE2 3.24Å; K316-F318 HydrophobicContact CB-CZ 3.75Å; K316-F318 HydrophobicContact CD-CE2 4.02Å; K316-F318 HydrophobicContact CD-CZ 3.95Å; K316-F318 HydrophobicContact CG-CE2 4.23Å; K316-F318 HydrophobicContact CG-CZ 4.37Å
319C47.3Very low48.9Very low66 Ų66103.5 Ų103.545%0.44651%0.507SS..  trans66.4160.6160.8-63.20000118R266R266-C319 PolarHBondContact NH1-SG 3.33Å
320Q48.5Very low49.4Very low143 Ų14398.6 Ų98.667%0.66848%0.479SS*.  trans-110.1127.5156.7-160.7172.87.500103.1R295R295-Q320 HydrophobicContact CG-CG 4.45Å
321F50.7Low50.4Low110 Ų11091.5 Ų91.548%0.48245%0.452SS..  trans-79.40179.9-64.6-79.3000110.9D247 L248 R266 C296D247-F321 HydrophobicContact CB-CB 3.79Å; D247-F321 HydrophobicContact CB-CG 4.25Å; L248-F321 HydrophobicContact CD1-CZ 4.13Å; L248-F321 HydrophobicContact CD2-CE2 3.94Å; L248-F321 HydrophobicContact CD2-CZ 4.01Å; L248-F321 HydrophobicContact CG-CZ 4.47Å; R266-F321 HydrophobicContact CB-CE1 4.45Å; R266-F321 WeakPolarHBondContact O-CE1 3.43Å; C296-F321 HydrophobicContact CB-CE2 4.37Å

Retrieved 321 of 321 residues in 632 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).