A0A061INT9_CRIGR Loading...

Quinone oxidoreductase

Does not have alcohol dehydrogenase activity. Binds NADP and acts through a one-electron transfer process. Orthoquinones, such as 1,2-naphthoquinone or 9,10-phenanthrenequinone, are the best substrates (in vitro). May act in the detoxification of xenobiotics. Interacts with (AU)-rich elements (ARE) in the 3'-UTR of target mRNA species and enhances their stability. NADPH binding interferes with mRNA binding.

AlphaFold DB , UniProt , Accession A0A061INT9, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Cryz, Length 329 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.2Very low79.2Confident239 Ų23993.3 Ų93.3100%1.17751%0.512SS*.  0119.20-63-167.2-143.600107.7M3M1-M3 PolarHBondContact O-N 2.83Å
2A41.6Very low80.8Confident106 Ų10689.6 Ų89.688%0.87649%0.485SS*.  trans-66.5106.3174.300000107.9G4A2-G4 PolarHBondContact O-N 3.16Å; A2-G4 VanDerWaalsContact O-N 3.09Å
3M54.6Low82.2Confident187 Ų18782.7 Ų82.792%0.92145%0.448SS*.PPolyproline II helixtrans-59.7116.8168.5-75.9-160.6-158.900106.9M1 Q5M1-M3 PolarHBondContact O-N 2.83Å; M3-Q5 PolarHBondContact O-N 3.41Å
4G68.9Low83.4Confident71 Ų7184.4 Ų84.473%0.73245%0.449SS*.PPolyproline II helixtrans-52.8131.317600000110A2 K6A2-G4 PolarHBondContact O-N 3.16Å; A2-G4 VanDerWaalsContact O-N 3.09Å; G4-K6 PolarHBondContact O-N 3.03Å
5Q81.9Confident84.4Confident113 Ų11387.6 Ų87.653%0.52846%0.46SS..PPolyproline II helixtrans-59.3123.3-179.7-168.5171.47.900109.1M3 A29 V30M3-Q5 PolarHBondContact O-N 3.41Å; Q5-A29 HydrophobicContact CG-CB 4.05Å; Q5-V30 PolarHBondContact NE2-O 3Å
6K93.7Very high85.3Confident139 Ų13986.6 Ų86.660%0.60445%0.451SS*.PPolyproline II helixtrans-60.8142.7-178.8-173.1176.3177.9-177.50110.1G4 V30G4-K6 PolarHBondContact O-N 3.03Å; K6-V30 HydrophobicContact CB-CB 4.39Å; K6-V30 HydrophobicContact CB-CG2 4.07Å; K6-V30 HydrophobicContact CD-CG2 4.49Å; K6-V30 HydrophobicContact CG-CG2 4.14Å; K6-V30 WeakPolarHBondContact O-CB 3.37Å; K6-V30 WeakPolarHBondContact O-CG2 3.21Å; K6-V30 PolarHBondContact O-N 3.26Å
7L97.8Very high86Confident97 Ų9782.6 Ų82.651%0.50844%0.436SS..EExtended strand (participates in β ladder)trans-97.9154.7174.6-55.9179.8000110.9N27 V28L7-N27 HydrophobicContact CD1-CB 4.33Å; L7-V28 CarbonylContact C-O 3.33Å; L7-V28 WeakPolarHBondContact CA-O 3.44Å
8M98.3Very high86.7Confident7 Ų779.2 Ų79.23%0.03442%0.424CS..EExtended strand (participates in β ladder)trans-142.4163.8178.467.5174-175.900112A10 S26 V28 V30 P31 A104 E105 F106M8-A10 HydrophobicContact CE-CB 4.21Å; M8-S26 CarbonylContact O-C 3.58Å; M8-V28 HydrophobicContact CE-CB 4.49Å; M8-V28 HydrophobicContact CE-CG1 3.94Å; M8-V28 HydrophobicContact CG-CB 4.27Å; M8-V28 WeakPolarHBondContact CG-O 3.31Å; M8-V28 PolarHBondContact N-O 3.48Å; M8-V28 PolarHBondContact O-N 2.6Å; M8-V30 HydrophobicContact CB-CG2 3.82Å; M8-V30 HydrophobicContact CG-CG2 4.03Å; M8-V30 HydrophobicContact SD-CG2 4.2Å; M8-P31 HydrophobicContact CE-CG 4.47Å; M8-A104 HydrophobicContact CE-CB 3.97Å; M8-A104 HydrophobicContact SD-CB 4.24Å; M8-E105 WeakPolarHBondContact CA-OE2 3.29Å; M8-E105 HydrophobicContact CB-CB 4.28Å; M8-E105 WeakPolarHBondContact CB-OE2 3.42Å; M8-F106 HydrophobicContact CB-CD2 4.18Å; M8-F106 HydrophobicContact SD-CB 3.71Å; M8-F106 HydrophobicContact SD-CD2 4.11Å; M8-F106 HydrophobicContact SD-CG 4.41Å
9R98.7Very high87.3Confident67 Ų6776.2 Ų76.225%0.25341%0.409SS..EExtended strand (participates in β ladder)trans-81.6133.8165.9-57.9-175.7-60.6155.411.9111.1L24 Q25 A104 E105 L305 E306 L329R9-L24 HydrophobicContact CB-CD1 4.3Å; R9-Q25 CarbonylContact C-O 3.54Å; R9-Q25 WeakPolarHBondContact CA-O 3.38Å; R9-A104 WeakPolarHBondContact O-CA 3.36Å; R9-E105 HydrophobicContact CB-CG 4.05Å; R9-E105 IonicContact CZ-OE1 3.62Å; R9-E105 PolarHBondContact N-OE2 3.4Å; R9-E105 IonicContact NE-OE1 2.88Å; R9-E105 PolarHBondContact NE-OE1 3.42Å; R9-E105 IonicContact NH2-OE1 2.59Å; R9-E105 PolarHBondContact NH2-OE1 2.77Å; R9-E105 PolarHBondContact O-N 2.87Å; R9-L305 HydrophobicContact CB-CD2 4.38Å; R9-E306 IonicContact CZ-OE1 3.98Å; R9-E306 IonicContact NH1-OE1 3.58Å; R9-E306 PolarHBondContact NH1-OE1 2.86Å; R9-L329 PolarHBondContact NH2-OXT 3.07Å
10A98.8Very high87.8Confident0 Ų078 Ų780%042%0.415CS..EExtended strand (participates in β ladder)trans-152.914817300000111.5M8 Q25 V28 Y103 A104M8-A10 HydrophobicContact CE-CB 4.21Å; A10-Q25 PolarHBondContact N-O 3.11Å; A10-Q25 PolarHBondContact O-N 2.89Å; A10-V28 HydrophobicContact CB-CB 4.24Å; A10-V28 HydrophobicContact CB-CG1 4.39Å; A10-V28 HydrophobicContact CB-CG2 4.06Å; A10-Y103 WeakPolarHBondContact CA-O 3.46Å; A10-A104 HydrophobicContact CB-CB 3.55Å
11V98.8Very high88.4Confident0 Ų074.6 Ų74.60%040%0.397CS..EExtended strand (participates in β ladder)trans-76.1134.9169.1179.60000108.7L22 K23 L24 T68 Y103 L305 V308V11-L22 HydrophobicContact CG1-CB 3.97Å; V11-L22 HydrophobicContact CG1-CD2 3.68Å; V11-L22 HydrophobicContact CG1-CG 4.46Å; V11-K23 CarbonylContact C-O 3.49Å; V11-K23 WeakPolarHBondContact CA-O 3.38Å; V11-L24 HydrophobicContact CG2-CD1 4.4Å; V11-T68 WeakPolarHBondContact O-CA 3.49Å; V11-T68 VanDerWaalsContact O-CB 3.27Å; V11-T68 WeakPolarHBondContact O-CB 3.4Å; V11-T68 VanDerWaalsContact O-CG2 3.26Å; V11-T68 WeakPolarHBondContact O-CG2 3.22Å; V11-T68 PolarHBondContact O-OG1 3.25Å; V11-Y103 HydrophobicContact CB-CD2 4.41Å; V11-Y103 PolarHBondContact N-O 3.41Å; V11-L305 HydrophobicContact CG2-CD1 3.72Å; V11-L305 HydrophobicContact CG2-CG 4.07Å; V11-V308 HydrophobicContact CG1-CG1 4.07Å; V11-V308 HydrophobicContact CG1-CG2 4.46Å; V11-V308 HydrophobicContact CG2-CB 4.13Å; V11-V308 HydrophobicContact CG2-CG1 3.75Å; V11-V308 HydrophobicContact CG2-CG2 4.24Å
12R98.8Very high91.2Very high49 Ų4963.6 Ų63.619%0.18534%0.343CS..EExtended strand (participates in β ladder)trans-127.9137.5-179.4-58.7-61.4-70.7165.80.7109.7F14 K23 Q25 V28 P66 Y67 T68R12-F14 HydrophobicContact CB-CD2 4.24Å; R12-F14 HydrophobicContact CB-CE2 3.54Å; R12-F14 HydrophobicContact CB-CZ 3.86Å; R12-F14 HydrophobicContact CG-CZ 4.45Å; R12-K23 PolarHBondContact N-O 3.09Å; R12-K23 PolarHBondContact O-N 3.31Å; R12-Q25 HydrophobicContact CB-CG 4.09Å; R12-Q25 HydrophobicContact CG-CB 4.07Å; R12-Q25 HydrophobicContact CG-CG 3.65Å; R12-V28 HydrophobicContact CG-CG2 4.15Å; R12-P66 PolarHBondContact NH2-O 3.07Å; R12-Y67 WeakPolarHBondContact CA-O 3.33Å; R12-T68 VanDerWaalsContact CD-OG1 3.23Å; R12-T68 WeakPolarHBondContact CD-OG1 3.17Å; R12-T68 PolarHBondContact NH1-OG1 2.95Å
13V98.8Very high94Very high0 Ų063.4 Ų63.40%032%0.323CS..EExtended strand (participates in β ladder)trans-115.8113.2174.2178.40000107.2E15 V21 L22 R55 L65 P66 Y67 P69V13-E15 WeakPolarHBondContact CG1-O 3.43Å; V13-V21 HydrophobicContact CG1-CG2 3.84Å; V13-L22 HydrophobicContact CG2-CD2 3.77Å; V13-R55 HydrophobicContact CG2-CG 4.45Å; V13-L65 HydrophobicContact CG1-CD2 4.08Å; V13-L65 WeakPolarHBondContact O-CD2 3.08Å; V13-P66 WeakPolarHBondContact O-CA 3.5Å; V13-P66 WeakPolarHBondContact O-CB 3.41Å; V13-Y67 HydrophobicContact CB-CD1 3.96Å; V13-Y67 HydrophobicContact CB-CE1 3.54Å; V13-Y67 HydrophobicContact CG1-CD1 4.33Å; V13-Y67 HydrophobicContact CG1-CE1 3.59Å; V13-Y67 HydrophobicContact CG2-CE1 4.17Å; V13-Y67 PolarHBondContact N-O 3.26Å; V13-Y67 PolarHBondContact O-N 3.06Å; V13-Y67 VanDerWaalsContact O-N 3.14Å; V13-P69 HydrophobicContact CG2-CG 3.86Å
14F98.6Very high96Very high107 Ų10757.4 Ų57.447%0.46929%0.294SS..SBendtrans-96.1-23.3-177-65.1-90000113R12 K23 Q25 P66R12-F14 HydrophobicContact CB-CD2 4.24Å; R12-F14 HydrophobicContact CB-CE2 3.54Å; R12-F14 HydrophobicContact CB-CZ 3.86Å; R12-F14 HydrophobicContact CG-CZ 4.45Å; F14-K23 HydrophobicContact CD2-CG 4.32Å; F14-K23 HydrophobicContact CE2-CB 4.25Å; F14-K23 HydrophobicContact CE2-CG 4.48Å; F14-Q25 HydrophobicContact CE2-CG 4.47Å; F14-Q25 HydrophobicContact CZ-CG 4.45Å; F14-P66 HydrophobicContact CD1-CB 3.56Å; F14-P66 HydrophobicContact CD1-CG 4.02Å; F14-P66 HydrophobicContact CE1-CB 3.83Å; F14-P66 HydrophobicContact CE1-CG 4.05Å; F14-P66 HydrophobicContact CG-CB 4.14Å
15E98.5Very high97.5Very high132 Ų13257.1 Ų57.162%0.61727%0.274SS*.SBendtrans-144.3155.6174.564.7-170.6158.300109.1V13 V21V13-E15 WeakPolarHBondContact CG1-O 3.43Å; E15-V21 HydrophobicContact CG-CG1 4.08Å; E15-V21 WeakPolarHBondContact O-CG2 3.36Å
16F98.6Very high98.2Very high71 Ų7156 Ų5631%0.31128%0.278SS..  trans-77.3145.3175.7-62.9-67.9000110.7I54 R55 K62 L65 Y67F16-I54 WeakPolarHBondContact CD1-O 3.42Å; F16-I54 WeakPolarHBondContact CE1-O 3.41Å; F16-R55 WeakPolarHBondContact CA-O 3.5Å; F16-K62 HydrophobicContact CZ-CB 4.31Å; F16-L65 HydrophobicContact CD1-CD2 4.5Å; F16-L65 HydrophobicContact CD2-CD1 3.93Å; F16-L65 HydrophobicContact CE1-CD2 4.21Å; F16-L65 HydrophobicContact CE2-CD1 3.74Å; F16-L65 HydrophobicContact CE2-CD2 4.39Å; F16-L65 HydrophobicContact CE2-CG 4.11Å; F16-L65 HydrophobicContact CZ-CD1 4.27Å; F16-L65 HydrophobicContact CZ-CD2 4.15Å; F16-L65 HydrophobicContact CZ-CG 4.14Å; F16-Y67 HydrophobicContact CE1-CE1 4.19Å
17G98.2Very high98.3Very high19 Ų1954.1 Ų54.120%0.19628%0.275CS..  trans172.6-159.9-179.400000115.2R55 S56G17-R55 PolarHBondContact N-O 3.46Å; G17-R55 PolarHBondContact O-NE 3.25Å; G17-S56 VanDerWaalsContact O-CA 3.28Å; G17-S56 WeakPolarHBondContact O-CA 3.35Å
18G98Very high98.3Very high22 Ų2250.8 Ų50.823%0.22726%0.258CS..SBendtrans-70.3-177.617400000112E20 V21 R55G18-E20 VanDerWaalsContact C-CD 3.48Å; G18-E20 VanDerWaalsContact CA-OE1 3.23Å; G18-E20 WeakPolarHBondContact CA-OE1 3.36Å; G18-E20 WeakPolarHBondContact CA-OE2 3.35Å; G18-E20 PolarHBondContact N-OE1 3.34Å; G18-E20 PolarHBondContact O-N 3.11Å; G18-E20 VanDerWaalsContact O-N 3.1Å; G18-V21 WeakPolarHBondContact O-CG2 3.47Å; G18-V21 PolarHBondContact O-N 3.4Å; G18-R55 VanDerWaalsContact C-NE 3.31Å; G18-R55 WeakPolarHBondContact O-CD 3.48Å; G18-R55 PolarHBondContact O-NE 3Å; G18-R55 VanDerWaalsContact O-NE 3.15Å
19P98.1Very high98.3Very high21 Ų2152.3 Ų52.314%0.13627%0.272CS..G310 helixtrans-52.1-29.9179.2-25.935.7000114.5V21 L22 V309 H312 E313P19-V21 PolarHBondContact O-N 2.93Å; P19-V21 VanDerWaalsContact O-N 3.11Å; P19-L22 WeakPolarHBondContact O-CB 3.46Å; P19-L22 WeakPolarHBondContact O-CD1 3.42Å; P19-L22 WeakPolarHBondContact O-CG 3.22Å; P19-L22 PolarHBondContact O-N 3.27Å; P19-L22 VanDerWaalsContact O-N 3.08Å; P19-V309 HydrophobicContact CB-CG1 3.74Å; P19-H312 HydrophobicContact CB-CB 4.44Å; P19-E313 HydrophobicContact CB-CG 3.9Å; P19-E313 HydrophobicContact CG-CG 3.57Å
20E98.1Very high98.3Very high112 Ų11249.8 Ų49.852%0.52326%0.264SS..G310 helixtrans-59-20.9-179.270.8-69.7160.900114.9G18 L22 K23G18-E20 VanDerWaalsContact C-CD 3.48Å; G18-E20 VanDerWaalsContact CA-OE1 3.23Å; G18-E20 WeakPolarHBondContact CA-OE1 3.36Å; G18-E20 WeakPolarHBondContact CA-OE2 3.35Å; G18-E20 PolarHBondContact N-OE1 3.34Å; G18-E20 PolarHBondContact O-N 3.11Å; G18-E20 VanDerWaalsContact O-N 3.1Å; E20-L22 PolarHBondContact O-N 3.32Å; E20-K23 WeakPolarHBondContact O-CE 2.75Å; E20-K23 PolarHBondContact O-NZ 3.02Å
21V98.6Very high98.2Very high8 Ų851 Ų515%0.04827%0.273CS..G310 helixtrans-76.6-10.3177.7-50.70000113.3V13 E15 G18 P19 K23 R55V13-V21 HydrophobicContact CG1-CG2 3.84Å; E15-V21 HydrophobicContact CG-CG1 4.08Å; E15-V21 WeakPolarHBondContact O-CG2 3.36Å; G18-V21 WeakPolarHBondContact O-CG2 3.47Å; G18-V21 PolarHBondContact O-N 3.4Å; P19-V21 PolarHBondContact O-N 2.93Å; P19-V21 VanDerWaalsContact O-N 3.11Å; V21-K23 PolarHBondContact O-N 3.23Å; V21-R55 HydrophobicContact CG2-CG 3.65Å
22L98.8Very high98.2Very high8 Ų856.7 Ų56.74%0.04230%0.302CS..EExtended strand (participates in β ladder)trans-75.8101.1176.7-65.1158.5000109.5V11 V13 P19 E20 R55 P69 V308 V309 H312V11-L22 HydrophobicContact CG1-CB 3.97Å; V11-L22 HydrophobicContact CG1-CD2 3.68Å; V11-L22 HydrophobicContact CG1-CG 4.46Å; V13-L22 HydrophobicContact CG2-CD2 3.77Å; P19-L22 WeakPolarHBondContact O-CB 3.46Å; P19-L22 WeakPolarHBondContact O-CD1 3.42Å; P19-L22 WeakPolarHBondContact O-CG 3.22Å; P19-L22 PolarHBondContact O-N 3.27Å; P19-L22 VanDerWaalsContact O-N 3.08Å; E20-L22 PolarHBondContact O-N 3.32Å; L22-R55 HydrophobicContact CD2-CG 4.33Å; L22-R55 HydrophobicContact CG-CG 4.39Å; L22-P69 HydrophobicContact CD2-CG 3.97Å; L22-V308 HydrophobicContact CB-CG1 3.9Å; L22-V308 HydrophobicContact CD1-CG1 4.44Å; L22-V308 HydrophobicContact CD1-CG2 4.19Å; L22-V308 HydrophobicContact CD2-CG2 4.46Å; L22-V309 HydrophobicContact CB-CG2 4.16Å; L22-H312 HydrophobicContact CD1-CB 3.91Å
23K98.6Very high98.2Very high101 Ų10155 Ų5544%0.43930%0.297SS..EExtended strand (participates in β ladder)trans-103.5120.5-178.8-54.6-51.9-173.4-170.70110.9V11 R12 F14 E20 V21V11-K23 CarbonylContact C-O 3.49Å; V11-K23 WeakPolarHBondContact CA-O 3.38Å; R12-K23 PolarHBondContact N-O 3.09Å; R12-K23 PolarHBondContact O-N 3.31Å; F14-K23 HydrophobicContact CD2-CG 4.32Å; F14-K23 HydrophobicContact CE2-CB 4.25Å; F14-K23 HydrophobicContact CE2-CG 4.48Å; E20-K23 WeakPolarHBondContact O-CE 2.75Å; E20-K23 PolarHBondContact O-NZ 3.02Å; V21-K23 PolarHBondContact O-N 3.23Å
24L98.6Very high98.1Very high62 Ų6262.2 Ų62.233%0.32533%0.328SS..EExtended strand (participates in β ladder)trans-71.7130.3168-17561.8000109.3R9 V11 L305 E306R9-L24 HydrophobicContact CB-CD1 4.3Å; V11-L24 HydrophobicContact CG2-CD1 4.4Å; L24-L305 HydrophobicContact CD1-CD2 3.64Å; L24-L305 HydrophobicContact CD1-CG 4.01Å; L24-E306 HydrophobicContact CD2-CB 4.36Å; L24-E306 HydrophobicContact CD2-CG 3.76Å
25Q98.4Very high98.1Very high64 Ų6458.4 Ų58.430%0.29932%0.319SS..EExtended strand (participates in β ladder)trans-122.7139.4174.9-64.4-67-77.800108.5R9 A10 R12 F14 V28R9-Q25 CarbonylContact C-O 3.54Å; R9-Q25 WeakPolarHBondContact CA-O 3.38Å; A10-Q25 PolarHBondContact N-O 3.11Å; A10-Q25 PolarHBondContact O-N 2.89Å; R12-Q25 HydrophobicContact CB-CG 4.09Å; R12-Q25 HydrophobicContact CG-CB 4.07Å; R12-Q25 HydrophobicContact CG-CG 3.65Å; F14-Q25 HydrophobicContact CE2-CG 4.47Å; F14-Q25 HydrophobicContact CZ-CG 4.45Å; Q25-V28 HydrophobicContact CB-CG2 3.66Å
26S97.3Very high98.1Very high90 Ų9057.3 Ų57.363%0.62931%0.313SS*.EExtended strand (participates in β ladder)trans-103.1-2-179.755.40000114.2M8M8-S26 CarbonylContact O-C 3.58Å
27N96.8Very high98.1Very high99 Ų9956.3 Ų56.353%0.52931%0.31SS..EExtended strand (participates in β ladder)trans-118.626.9-173.264.1-21.8000112.4L7L7-N27 HydrophobicContact CD1-CB 4.33Å
28V98.1Very high98.1Very high27 Ų2755.4 Ų55.416%0.16430%0.301CS..EExtended strand (participates in β ladder)trans-80.8130.4177.5-175.90000108.6L7 M8 A10 R12 Q25L7-V28 CarbonylContact C-O 3.33Å; L7-V28 WeakPolarHBondContact CA-O 3.44Å; M8-V28 HydrophobicContact CE-CB 4.49Å; M8-V28 HydrophobicContact CE-CG1 3.94Å; M8-V28 HydrophobicContact CG-CB 4.27Å; M8-V28 WeakPolarHBondContact CG-O 3.31Å; M8-V28 PolarHBondContact N-O 3.48Å; M8-V28 PolarHBondContact O-N 2.6Å; A10-V28 HydrophobicContact CB-CB 4.24Å; A10-V28 HydrophobicContact CB-CG1 4.39Å; A10-V28 HydrophobicContact CB-CG2 4.06Å; R12-V28 HydrophobicContact CG-CG2 4.15Å; Q25-V28 HydrophobicContact CB-CG2 3.66Å
29A98.1Very high98.1Very high39 Ų3954.8 Ų54.832%0.32229%0.292SS..EExtended strand (participates in β ladder)trans-67.7134.3178.800000111.3Q5 P31Q5-A29 HydrophobicContact CG-CB 4.05Å; A29-P31 WeakPolarHBondContact O-CD 3.31Å
30V98.4Very high98.2Very high14 Ų1453.8 Ų53.89%0.08529%0.286CS..PPolyproline II helixtrans-64.9125.3175.1175.80000108.8Q5 K6 M8 L39 F106Q5-V30 PolarHBondContact NE2-O 3Å; K6-V30 HydrophobicContact CB-CB 4.39Å; K6-V30 HydrophobicContact CB-CG2 4.07Å; K6-V30 HydrophobicContact CD-CG2 4.49Å; K6-V30 HydrophobicContact CG-CG2 4.14Å; K6-V30 WeakPolarHBondContact O-CB 3.37Å; K6-V30 WeakPolarHBondContact O-CG2 3.21Å; K6-V30 PolarHBondContact O-N 3.26Å; M8-V30 HydrophobicContact CB-CG2 3.82Å; M8-V30 HydrophobicContact CG-CG2 4.03Å; M8-V30 HydrophobicContact SD-CG2 4.2Å; V30-L39 HydrophobicContact CG1-CD1 4.43Å; V30-L39 HydrophobicContact CG1-CD2 3.79Å; V30-F106 HydrophobicContact CG1-CB 4.23Å; V30-F106 HydrophobicContact CG1-CD2 4.44Å; V30-F106 HydrophobicContact CG1-CG 4.17Å; V30-F106 HydrophobicContact CG2-CD2 4.01Å; V30-F106 HydrophobicContact CG2-CE2 4.46Å
31P97Very high98.2Very high27 Ų2753.3 Ų53.318%0.17528%0.282CS..PPolyproline II helixtrans-63.7150.7177.3-2132.5000112.1M8 A29 L39 L108M8-P31 HydrophobicContact CE-CG 4.47Å; A29-P31 WeakPolarHBondContact O-CD 3.31Å; P31-L39 HydrophobicContact CB-CD1 4.36Å; P31-L39 WeakPolarHBondContact O-CD1 3.34Å; P31-L39 WeakPolarHBondContact O-CD2 3.42Å; P31-L108 HydrophobicContact CB-CB 4.19Å; P31-L108 HydrophobicContact CB-CD1 4.2Å; P31-L108 HydrophobicContact CB-CD2 4.18Å; P31-L108 HydrophobicContact CB-CG 4.45Å
32I97.9Very high98.2Very high119 Ų11953.2 Ų53.261%0.6128%0.281SS*.  trans-108.2121.2174.2-59.3172.5000107.8
33P97.9Very high98.2Very high14 Ų1456.2 Ų56.29%0.09130%0.295CS..  trans-68.2139.4179.428.5-31.8000111.5Q37 L39 S79 L108P33-Q37 HydrophobicContact CB-CB 3.91Å; P33-Q37 WeakPolarHBondContact CB-O 3.08Å; P33-L39 HydrophobicContact CB-CB 4.47Å; P33-L39 HydrophobicContact CG-CB 3.92Å; P33-S79 WeakPolarHBondContact CG-OG 3.46Å; P33-L108 HydrophobicContact CB-CD1 3.78Å
34K97.8Very high98.2Very high151 Ų15151.4 Ų51.466%0.65727%0.274SS*.  trans-132.7151.1175-63.4-176.2179.4-1770110.6H36 Q37K34-H36 PolarHBondContact O-N 3.19Å; K34-Q37 VanDerWaalsContact O-CB 3.27Å; K34-Q37 WeakPolarHBondContact O-CB 3.29Å; K34-Q37 VanDerWaalsContact O-CG 3.24Å; K34-Q37 WeakPolarHBondContact O-CG 3.4Å; K34-Q37 PolarHBondContact O-N 3.06Å; K34-Q37 PolarHBondContact O-OE1 3.48Å
35G98.2Very high98.3Very high26 Ų2648.5 Ų48.527%0.26826%0.259SS..SBendtrans54.4-123178.700000111.7Q37 G81 S83G35-Q37 PolarHBondContact O-N 3.43Å; G35-G81 CarbonylContact O-C 3.48Å; G35-G81 WeakPolarHBondContact O-CA 3.41Å; G35-S83 PolarHBondContact O-N 3.07Å; G35-S83 VanDerWaalsContact O-N 3.12Å
36H98.1Very high98.3Very high109 Ų10945.4 Ų45.451%0.50524%0.244SC..SBendtrans-84.732.8-179.7-73.5-74.8000114.4K34 S83 A110 D111K34-H36 PolarHBondContact O-N 3.19Å; H36-S83 PolarHBondContact CE1-O 3.07Å; H36-S83 VanDerWaalsContact CE1-O 3.26Å; H36-S83 PolarHBondContact ND1-O 2.92Å; H36-A110 CarbonylContact O-C 3.57Å; H36-A110 WeakPolarHBondContact O-CA 3.19Å; H36-D111 IonicContact CG-OD2 3.81Å; H36-D111 IonicContact ND1-OD1 3.32Å; H36-D111 IonicContact ND1-OD2 3.6Å; H36-D111 PolarHBondContact ND1-OD2 3.25Å; H36-D111 PolarHBondContact O-N 3.36Å
37Q98.6Very high98.3Very high51 Ų5141.2 Ų41.224%0.23822%0.215CC..EExtended strand (participates in β ladder)trans-109.7148.7-178.9-65.2171.6-19.400111.3P33 K34 G35 G81 V84 L108 A109P33-Q37 HydrophobicContact CB-CB 3.91Å; P33-Q37 WeakPolarHBondContact CB-O 3.08Å; K34-Q37 VanDerWaalsContact O-CB 3.27Å; K34-Q37 WeakPolarHBondContact O-CB 3.29Å; K34-Q37 VanDerWaalsContact O-CG 3.24Å; K34-Q37 WeakPolarHBondContact O-CG 3.4Å; K34-Q37 PolarHBondContact O-N 3.06Å; K34-Q37 PolarHBondContact O-OE1 3.48Å; G35-Q37 PolarHBondContact O-N 3.43Å; Q37-G81 PolarHBondContact O-N 3.24Å; Q37-V84 WeakPolarHBondContact O-CG2 3.42Å; Q37-L108 HydrophobicContact CB-CD1 4.19Å; Q37-L108 HydrophobicContact CB-CG 4.28Å; Q37-L108 HydrophobicContact CG-CG 4.49Å; Q37-A109 CarbonylContact C-O 3.52Å; Q37-A109 VanDerWaalsContact CA-O 3.27Å; Q37-A109 WeakPolarHBondContact CA-O 2.87Å
38V98.8Very high98.4Very high0 Ų036.8 Ų36.80%019%0.191CC..EExtended strand (participates in β ladder)trans-121.8148.7169.2-57.50000109.7I40 I77 V80 V84 F87 L108 A109 V114V38-I40 HydrophobicContact CG2-CD1 4.12Å; V38-I40 HydrophobicContact CG2-CG1 4.06Å; V38-I77 HydrophobicContact CB-CD1 4.34Å; V38-I77 HydrophobicContact CG1-CD1 4.35Å; V38-I77 HydrophobicContact CG2-CD1 4.45Å; V38-V80 HydrophobicContact CB-CG1 4.43Å; V38-V80 HydrophobicContact CG1-CB 4.33Å; V38-V80 HydrophobicContact CG1-CG1 3.88Å; V38-V84 HydrophobicContact CG1-CB 4.49Å; V38-V84 HydrophobicContact CG1-CG1 3.86Å; V38-V84 HydrophobicContact CG1-CG2 4Å; V38-F87 HydrophobicContact CG1-CB 4.43Å; V38-F87 HydrophobicContact CG1-CD2 4.45Å; V38-L108 WeakPolarHBondContact O-CA 3.26Å; V38-A109 HydrophobicContact CG2-CB 4.23Å; V38-A109 PolarHBondContact N-O 2.98Å; V38-A109 PolarHBondContact O-N 3.46Å; V38-V114 HydrophobicContact CG2-CG1 4.46Å; V38-V114 HydrophobicContact CG2-CG2 3.66Å
39L98.8Very high98.2Very high9 Ų937.7 Ų37.75%0.04720%0.198CC..EExtended strand (participates in β ladder)trans-105122.5171.3-173.769.5000109.1V30 P31 P33 V78 S79 F106 L108V30-L39 HydrophobicContact CG1-CD1 4.43Å; V30-L39 HydrophobicContact CG1-CD2 3.79Å; P31-L39 HydrophobicContact CB-CD1 4.36Å; P31-L39 WeakPolarHBondContact O-CD1 3.34Å; P31-L39 WeakPolarHBondContact O-CD2 3.42Å; P33-L39 HydrophobicContact CB-CB 4.47Å; P33-L39 HydrophobicContact CG-CB 3.92Å; L39-V78 HydrophobicContact CB-CG2 4.03Å; L39-V78 HydrophobicContact CD2-CG2 3.68Å; L39-V78 HydrophobicContact CG-CG2 3.7Å; L39-V78 VanDerWaalsContact O-CG2 3.32Å; L39-V78 WeakPolarHBondContact O-CG2 3.45Å; L39-V78 PolarHBondContact O-N 2.59Å; L39-S79 WeakPolarHBondContact CB-OG 3.49Å; L39-S79 PolarHBondContact N-O 3.23Å; L39-F106 HydrophobicContact CD1-CB 4.01Å; L39-F106 HydrophobicContact CD2-CD1 4.32Å; L39-F106 HydrophobicContact CG-CB 4.48Å; L39-F106 HydrophobicContact CG-CD1 4.31Å; L39-L108 HydrophobicContact CD1-CD1 4.25Å
40I98.9Very high98Very high0 Ų037 Ų370%019%0.189CC..EExtended strand (participates in β ladder)trans-109.6127.2-177.2-59.5166000107.9V38 V42 V73 V76 I77 V93 C95 F106 A107 A109 V114V38-I40 HydrophobicContact CG2-CD1 4.12Å; V38-I40 HydrophobicContact CG2-CG1 4.06Å; I40-V42 PolarHBondContact O-N 2.93Å; I40-V73 HydrophobicContact CD1-CG2 4.08Å; I40-V76 CarbonylContact C-O 3.5Å; I40-V76 WeakPolarHBondContact CA-O 3.39Å; I40-I77 HydrophobicContact CG1-CG1 4.22Å; I40-V93 HydrophobicContact CD1-CG2 3.81Å; I40-V93 HydrophobicContact CG1-CG2 3.95Å; I40-V93 HydrophobicContact CG2-CG2 4.16Å; I40-C95 WeakPolarHBondContact CD1-SG 3.38Å; I40-F106 CarbonylContact O-C 3.58Å; I40-F106 VanDerWaalsContact O-CA 3.23Å; I40-F106 WeakPolarHBondContact O-CA 3.4Å; I40-A107 PolarHBondContact N-O 3.34Å; I40-A107 PolarHBondContact O-N 3.22Å; I40-A109 HydrophobicContact CD1-CB 4.13Å; I40-V114 HydrophobicContact CD1-CG1 4.41Å; I40-V114 HydrophobicContact CD1-CG2 4.3Å
41K98.9Very high98Very high101 Ų10136.6 Ų36.644%0.43919%0.186SC..EExtended strand (participates in β ladder)trans-75.6111.2161.9-178-177.5178.7-171.40107.5G75 V76 V78 F106K41-G75 VanDerWaalsContact O-CA 3.32Å; K41-G75 WeakPolarHBondContact O-CA 3.31Å; K41-V76 PolarHBondContact N-O 2.64Å; K41-V76 PolarHBondContact O-N 3.48Å; K41-V78 HydrophobicContact CB-CG1 3.63Å; K41-F106 HydrophobicContact CB-CD1 4.03Å; K41-F106 HydrophobicContact CB-CE1 3.71Å; K41-F106 HydrophobicContact CB-CZ 4.41Å; K41-F106 HydrophobicContact CD-CE1 4.49Å; K41-F106 HydrophobicContact CD-CZ 4.49Å; K41-F106 HydrophobicContact CG-CD1 4.48Å; K41-F106 HydrophobicContact CG-CE1 3.94Å; K41-F106 HydrophobicContact CG-CZ 4.14Å
42V98.9Very high97.9Very high6 Ų635.5 Ų35.54%0.03618%0.179CC..EExtended strand (participates in β ladder)trans-79.6132.3-172.5-175.80000109.2I40 A44 C45 V73 A104 E105 A107 L329I40-V42 PolarHBondContact O-N 2.93Å; V42-A44 WeakPolarHBondContact CG1-O 3.43Å; V42-C45 HydrophobicContact CG1-CB 4.47Å; V42-V73 HydrophobicContact CG1-CB 4.09Å; V42-V73 HydrophobicContact CG1-CG1 4.01Å; V42-V73 HydrophobicContact CG2-CB 4.12Å; V42-V73 HydrophobicContact CG2-CG1 3.92Å; V42-A104 VanDerWaalsContact CB-O 3.3Å; V42-A104 WeakPolarHBondContact CB-O 3.36Å; V42-A104 WeakPolarHBondContact CG2-O 3.3Å; V42-E105 PolarHBondContact N-O 2.86Å; V42-A107 HydrophobicContact CG2-CB 3.7Å; V42-L329 HydrophobicContact CB-CG 4.15Å; V42-L329 HydrophobicContact CG1-CD2 3.67Å; V42-L329 HydrophobicContact CG1-CG 3.83Å; V42-L329 WeakPolarHBondContact O-CB 3.5Å
43H98.9Very high97.8Very high71 Ų7132.7 Ų32.733%0.32916%0.161SC..EExtended strand (participates in β ladder)trans-103-36.6171.2-80.2-107.7000111.3A74 F123 L329H43-A74 PolarHBondContact N-O 3.41Å; H43-F123 HydrophobicContact CB-CB 3.64Å; H43-F123 HydrophobicContact CB-CD2 3.83Å; H43-F123 HydrophobicContact CB-CG 3.81Å; H43-F123 AromaticContact CG-CD2 3.6Å; H43-F123 AromaticContact ND1-CD2 3.68Å; H43-F123 AromaticContact ND1-CE2 3.99Å; H43-L329 PolarHBondContact O-N 2.8Å; H43-L329 VanDerWaalsContact O-N 3.15Å
44A98.9Very high97.7Very high1 Ų132.6 Ų32.61%0.00816%0.16CC..EExtended strand (participates in β ladder)trans-146.3151173.800000110.5V42 V73 A74 A127 I326 L327V42-A44 WeakPolarHBondContact CG1-O 3.43Å; A44-V73 WeakPolarHBondContact O-CA 3.29Å; A44-A74 PolarHBondContact N-O 2.91Å; A44-A74 PolarHBondContact O-N 2.94Å; A44-A127 HydrophobicContact CB-CB 3.6Å; A44-I326 HydrophobicContact CB-CD1 4.25Å; A44-L327 CarbonylContact C-O 3.2Å; A44-L327 VanDerWaalsContact CA-O 3.23Å; A44-L327 WeakPolarHBondContact CA-O 3.43Å
45C98.9Very high97.7Very high0 Ų026.3 Ų26.30%013%0.132CC..EExtended strand (participates in β ladder)trans-129.4130.8171-172.30000110.4V42 D72 V73 G102 Y103 I326 L327 L329V42-C45 HydrophobicContact CG1-CB 4.47Å; C45-D72 CarbonylContact C-O 3.51Å; C45-D72 VanDerWaalsContact CA-O 3.3Å; C45-D72 WeakPolarHBondContact CA-O 3.37Å; C45-V73 HydrophobicContact CB-CG1 4.29Å; C45-G102 WeakPolarHBondContact CB-O 3.3Å; C45-Y103 HydrophobicContact CB-CD1 4.07Å; C45-Y103 HydrophobicContact CB-CE1 4.39Å; C45-Y103 VanDerWaalsContact SG-CD1 3.57Å; C45-I326 CarbonylContact O-C 3.55Å; C45-I326 WeakPolarHBondContact O-CA 3.09Å; C45-L327 PolarHBondContact N-O 3Å; C45-L327 PolarHBondContact O-N 3.44Å; C45-L329 HydrophobicContact CB-CD2 4.46Å
46G98.7Very high97.7Very high0 Ų027.4 Ų27.40%014%0.136CC..EExtended strand (participates in β ladder)trans-67.4142.3174.800000111.8D72 A127 K324G46-D72 PolarHBondContact N-O 2.92Å; G46-A127 VanDerWaalsContact CA-O 3.25Å; G46-A127 WeakPolarHBondContact CA-O 3.38Å; G46-A127 PolarHBondContact N-O 3.03Å; G46-K324 VanDerWaalsContact CA-CE 3.48Å
47V98.6Very high97.5Very high2 Ų222.9 Ų22.91%0.01212%0.118CC..  trans-99125.7170.4-173.60000108.5Y103 A311 I315 K324 M325 L327V47-Y103 WeakPolarHBondContact CG1-OH 3Å; V47-A311 HydrophobicContact CG2-CB 4.46Å; V47-I315 HydrophobicContact CB-CD1 4.18Å; V47-I315 HydrophobicContact CG1-CD1 3.72Å; V47-I315 HydrophobicContact CG1-CG2 4.39Å; V47-I315 WeakPolarHBondContact O-CD1 3.27Å; V47-K324 PolarHBondContact O-NZ 2.77Å; V47-M325 HydrophobicContact CB-CB 4.3Å; V47-M325 HydrophobicContact CB-CG 4.1Å; V47-M325 HydrophobicContact CB-SD 4.26Å; V47-M325 HydrophobicContact CG1-SD 4.23Å; V47-M325 HydrophobicContact CG2-CG 4.12Å; V47-M325 HydrophobicContact CG2-SD 4.47Å; V47-M325 PolarHBondContact N-O 2.85Å; V47-L327 HydrophobicContact CG2-CD1 4.5Å; V47-L327 HydrophobicContact CG2-CD2 3.91Å; V47-L327 HydrophobicContact CG2-CG 3.72Å
48N97.4Very high97.2Very high5 Ų524.4 Ų24.43%0.02714%0.14CC..  trans-117.3142.6-178.8-68.1-67.1000111V50 E51 D72 K324N48-V50 HydrophobicContact CB-CG1 3.91Å; N48-V50 PolarHBondContact O-N 3.2Å; N48-V50 VanDerWaalsContact O-N 3.13Å; N48-E51 HydrophobicContact CB-CG 4.37Å; N48-E51 PolarHBondContact N-OE2 2.76Å; N48-E51 PolarHBondContact ND2-OE1 3.48Å; N48-E51 VanDerWaalsContact ND2-OE1 3.11Å; N48-E51 WeakPolarHBondContact O-CB 3.42Å; N48-E51 PolarHBondContact O-N 3.22Å; N48-D72 PolarHBondContact ND2-OD2 3.38Å; N48-K324 PolarHBondContact ND2-NZ 3.23Å; N48-K324 PolarHBondContact OD1-NZ 3.47Å
49P95.4Very high96.7Very high47 Ų4727.9 Ų27.931%0.30515%0.154SC..Hα-helixtrans-55.3-34.5175.8-26.335.4000113.2E51 T52 Y53 I315 I316P49-E51 PolarHBondContact O-N 2.76Å; P49-T52 WeakPolarHBondContact O-CB 3.48Å; P49-T52 PolarHBondContact O-N 2.88Å; P49-T52 PolarHBondContact O-OG1 3Å; P49-Y53 HydrophobicContact CB-CE2 4.28Å; P49-Y53 PolarHBondContact O-N 3.2Å; P49-I315 HydrophobicContact CG-CD1 4.11Å; P49-I315 HydrophobicContact CG-CG1 4.3Å; P49-I316 HydrophobicContact CB-CD1 4.38Å
50V93.8Very high96.2Very high23 Ų2332.9 Ų32.914%0.13919%0.189CC..Hα-helixtrans-59.4-31.8178.472.30000113.4N48 T52 Y53 I54 Y59N48-V50 HydrophobicContact CB-CG1 3.91Å; N48-V50 PolarHBondContact O-N 3.2Å; N48-V50 VanDerWaalsContact O-N 3.13Å; V50-T52 PolarHBondContact O-N 3.35Å; V50-Y53 HydrophobicContact CB-CD2 4.46Å; V50-Y53 HydrophobicContact CG2-CD2 4.49Å; V50-Y53 PolarHBondContact O-N 3.28Å; V50-Y53 VanDerWaalsContact O-N 3.14Å; V50-I54 HydrophobicContact CG2-CD1 4.2Å; V50-I54 WeakPolarHBondContact O-CG1 3.3Å; V50-I54 PolarHBondContact O-N 3.01Å; V50-Y59 HydrophobicContact CG2-CD1 4.01Å; V50-Y59 HydrophobicContact CG2-CD2 4.43Å; V50-Y59 HydrophobicContact CG2-CE1 3.54Å; V50-Y59 HydrophobicContact CG2-CE2 4.01Å; V50-Y59 HydrophobicContact CG2-CG 4.43Å
51E96.9Very high95.7Very high6 Ų638 Ų383%0.02821%0.208CC..Hα-helixtrans-67.4-27.8177.3-68.4147.1-173.800111.2N48 P49 R55 T71 Y103N48-E51 HydrophobicContact CB-CG 4.37Å; N48-E51 PolarHBondContact N-OE2 2.76Å; N48-E51 PolarHBondContact ND2-OE1 3.48Å; N48-E51 VanDerWaalsContact ND2-OE1 3.11Å; N48-E51 WeakPolarHBondContact O-CB 3.42Å; N48-E51 PolarHBondContact O-N 3.22Å; P49-E51 PolarHBondContact O-N 2.76Å; E51-R55 VanDerWaalsContact O-CB 3.25Å; E51-R55 WeakPolarHBondContact O-CB 3.03Å; E51-R55 PolarHBondContact O-N 2.78Å; E51-T71 PolarHBondContact OE1-N 2.99Å; E51-Y103 PolarHBondContact OE2-OH 3.29Å
52T96.6Very high95.5Very high4 Ų439.8 Ų39.83%0.02522%0.216CC..Hα-helixtrans-70.7-35.4173.477.90000112.1P49 V50 S56 H312 I315 I316P49-T52 WeakPolarHBondContact O-CB 3.48Å; P49-T52 PolarHBondContact O-N 2.88Å; P49-T52 PolarHBondContact O-OG1 3Å; V50-T52 PolarHBondContact O-N 3.35Å; T52-S56 PolarHBondContact O-N 3.42Å; T52-S56 PolarHBondContact O-OG 3.12Å; T52-H312 HydrophobicContact CG2-CB 4.47Å; T52-I315 HydrophobicContact CG2-CG2 3.61Å; T52-I316 HydrophobicContact CG2-CD1 4.02Å; T52-I316 HydrophobicContact CG2-CG1 3.9Å; T52-I316 WeakPolarHBondContact OG1-CD1 3.34Å
53Y94.4Very high95.3Very high60 Ų6041 Ų4124%0.23522%0.224CC..Hα-helixtrans-73.5-38178.1-46.1-28.5000111.2P49 V50 S56 G57 A58 Y59 R249 I316P49-Y53 HydrophobicContact CB-CE2 4.28Å; P49-Y53 PolarHBondContact O-N 3.2Å; V50-Y53 HydrophobicContact CB-CD2 4.46Å; V50-Y53 HydrophobicContact CG2-CD2 4.49Å; V50-Y53 PolarHBondContact O-N 3.28Å; V50-Y53 VanDerWaalsContact O-N 3.14Å; Y53-S56 PolarHBondContact O-OG 3.03Å; Y53-S56 VanDerWaalsContact O-OG 3.05Å; Y53-G57 PolarHBondContact O-N 3.47Å; Y53-A58 PolarHBondContact O-N 3.16Å; Y53-A58 VanDerWaalsContact O-N 3.16Å; Y53-Y59 HydrophobicContact CD2-CD2 4.25Å; Y53-Y59 PolarHBondContact O-N 3Å; Y53-R249 PolarHBondContact OH-NE 2.76Å; Y53-I316 HydrophobicContact CE1-CD1 4.15Å
54I96.4Very high95.3Very high13 Ų1343.8 Ų43.87%0.06725%0.246CC..Hα-helixtrans-65.1-45.9173-66.7166.7000109.8F16 V50 S56 G57 Y59 P63 Y67F16-I54 WeakPolarHBondContact CD1-O 3.42Å; F16-I54 WeakPolarHBondContact CE1-O 3.41Å; V50-I54 HydrophobicContact CG2-CD1 4.2Å; V50-I54 WeakPolarHBondContact O-CG1 3.3Å; V50-I54 PolarHBondContact O-N 3.01Å; I54-S56 VanDerWaalsContact C-N 3.34Å; I54-S56 PolarHBondContact O-N 3.11Å; I54-G57 PolarHBondContact O-N 3.29Å; I54-G57 VanDerWaalsContact O-N 3.08Å; I54-Y59 HydrophobicContact CD1-CD1 4.27Å; I54-Y59 HydrophobicContact CG1-CD1 3.68Å; I54-Y59 HydrophobicContact CG1-CG 4.19Å; I54-P63 HydrophobicContact CG2-CG 3.63Å; I54-Y67 HydrophobicContact CG2-CE2 4.27Å
55R98.2Very high95.2Very high19 Ų1946.8 Ų46.87%0.07226%0.262CS..Hα-helixtrans-60.2-39.7177.4-175.9-144.763.6-137.9-8112.7V13 F16 G17 G18 V21 L22 E51 G57 Y67 H312V13-R55 HydrophobicContact CG2-CG 4.45Å; F16-R55 WeakPolarHBondContact CA-O 3.5Å; G17-R55 PolarHBondContact N-O 3.46Å; G17-R55 PolarHBondContact O-NE 3.25Å; G18-R55 VanDerWaalsContact C-NE 3.31Å; G18-R55 WeakPolarHBondContact O-CD 3.48Å; G18-R55 PolarHBondContact O-NE 3Å; G18-R55 VanDerWaalsContact O-NE 3.15Å; V21-R55 HydrophobicContact CG2-CG 3.65Å; L22-R55 HydrophobicContact CD2-CG 4.33Å; L22-R55 HydrophobicContact CG-CG 4.39Å; E51-R55 VanDerWaalsContact O-CB 3.25Å; E51-R55 WeakPolarHBondContact O-CB 3.03Å; E51-R55 PolarHBondContact O-N 2.78Å; R55-G57 PolarHBondContact O-N 3.12Å; R55-Y67 WeakPolarHBondContact CA-OH 3.34Å; R55-Y67 PolarHBondContact N-OH 3.35Å; R55-H312 PolarHBondContact NH1-ND1 3.17Å; R55-H312 VanDerWaalsContact NH1-ND1 3.12Å
56S97.3Very high95.2Very high48 Ų4849.7 Ų49.734%0.33628%0.281SS..THydrogen-bonded Turntrans-74.5-10.7176.868.30000114.2G17 T52 Y53 I54 A58G17-S56 VanDerWaalsContact O-CA 3.28Å; G17-S56 WeakPolarHBondContact O-CA 3.35Å; T52-S56 PolarHBondContact O-N 3.42Å; T52-S56 PolarHBondContact O-OG 3.12Å; Y53-S56 PolarHBondContact O-OG 3.03Å; Y53-S56 VanDerWaalsContact O-OG 3.05Å; I54-S56 VanDerWaalsContact C-N 3.34Å; I54-S56 PolarHBondContact O-N 3.11Å; S56-A58 PolarHBondContact O-N 3.41Å; S56-A58 WeakPolarHBondContact OG-CB 3.27Å; S56-A58 PolarHBondContact OG-N 2.99Å
57G95.2Very high95.2Very high14 Ų1450.9 Ų50.914%0.14429%0.286CS..THydrogen-bonded Turntrans74.67.6-174.600000114.2Y53 I54 R55 K62Y53-G57 PolarHBondContact O-N 3.47Å; I54-G57 PolarHBondContact O-N 3.29Å; I54-G57 VanDerWaalsContact O-N 3.08Å; R55-G57 PolarHBondContact O-N 3.12Å; G57-K62 WeakPolarHBondContact O-CE 3.46Å
58A90.4Very high95.2Very high84 Ų8451.3 Ų51.369%0.69429%0.288SS*.  trans-89.51.3-179.100000113.7Y53 S56Y53-A58 PolarHBondContact O-N 3.16Å; Y53-A58 VanDerWaalsContact O-N 3.16Å; S56-A58 PolarHBondContact O-N 3.41Å; S56-A58 WeakPolarHBondContact OG-CB 3.27Å; S56-A58 PolarHBondContact OG-N 2.99Å
59Y90.3Very high95.3Very high73 Ų7351.4 Ų51.429%0.28629%0.289SS..SBendtrans-98.9158.3177.3-156.9-119.7000112.1V50 Y53 I54 R61V50-Y59 HydrophobicContact CG2-CD1 4.01Å; V50-Y59 HydrophobicContact CG2-CD2 4.43Å; V50-Y59 HydrophobicContact CG2-CE1 3.54Å; V50-Y59 HydrophobicContact CG2-CE2 4.01Å; V50-Y59 HydrophobicContact CG2-CG 4.43Å; Y53-Y59 HydrophobicContact CD2-CD2 4.25Å; Y53-Y59 PolarHBondContact O-N 3Å; I54-Y59 HydrophobicContact CD1-CD1 4.27Å; I54-Y59 HydrophobicContact CG1-CD1 3.68Å; I54-Y59 HydrophobicContact CG1-CG 4.19Å; Y59-R61 VanDerWaalsContact C-N 3.3Å; Y59-R61 HydrophobicContact CD1-CB 3.9Å; Y59-R61 HydrophobicContact CE1-CB 4.3Å; Y59-R61 PolarHBondContact O-N 3.27Å
60S87.6Confident95.4Very high113 Ų11349.5 Ų49.579%0.7928%0.278SS*.SBendtrans-63.6-35.7178.755.50000112.4K62S60-K62 PolarHBondContact O-N 2.85Å
61R88.4Confident95.6Very high107 Ų10749 Ų4940%0.40428%0.275SS..  trans-78.9116.7172.4-174.4-178.9179.3-174.9-1.3110Y59Y59-R61 VanDerWaalsContact C-N 3.3Å; Y59-R61 HydrophobicContact CD1-CB 3.9Å; Y59-R61 HydrophobicContact CE1-CB 4.3Å; Y59-R61 PolarHBondContact O-N 3.27Å
62K94.1Very high95.6Very high140 Ų14048.7 Ų48.761%0.60927%0.273SS*.  trans-118.7100.5174.7-69.3-178175.9-177.60110.6F16 G57 S60F16-K62 HydrophobicContact CZ-CB 4.31Å; G57-K62 WeakPolarHBondContact O-CE 3.46Å; S60-K62 PolarHBondContact O-N 2.85Å
63P95.5Very high95.7Very high30 Ų3048.5 Ų48.520%0.19527%0.272CS..PPolyproline II helixtrans-63.5151.6175.6-20.832.5000112.2I54 L65 Y67I54-P63 HydrophobicContact CG2-CG 3.63Å; P63-L65 PolarHBondContact O-N 3.44Å; P63-Y67 HydrophobicContact CB-CD1 3.83Å; P63-Y67 HydrophobicContact CB-CD2 4Å; P63-Y67 HydrophobicContact CB-CE1 4.33Å; P63-Y67 HydrophobicContact CB-CE2 4.48Å; P63-Y67 HydrophobicContact CB-CG 3.67Å; P63-Y67 HydrophobicContact CG-CD1 4.26Å; P63-Y67 HydrophobicContact CG-CD2 3.99Å; P63-Y67 HydrophobicContact CG-CE1 4.3Å; P63-Y67 HydrophobicContact CG-CE2 4.04Å; P63-Y67 HydrophobicContact CG-CG 4.13Å
64T97.6Very high96Very high130 Ų13045.6 Ų45.680%0.79826%0.261SS*.PPolyproline II helixtrans-65129.2168.6-53.40000109.9P66T64-P66 CarbonylContact O-C 3.58Å
65L98.3Very high96.1Very high65 Ų6545 Ų4534%0.3426%0.258SS..SBendtrans-82.3143.9176.8-62.7164.3000110.6V13 F16 P63 Y67V13-L65 HydrophobicContact CG1-CD2 4.08Å; V13-L65 WeakPolarHBondContact O-CD2 3.08Å; F16-L65 HydrophobicContact CD1-CD2 4.5Å; F16-L65 HydrophobicContact CD2-CD1 3.93Å; F16-L65 HydrophobicContact CE1-CD2 4.21Å; F16-L65 HydrophobicContact CE2-CD1 3.74Å; F16-L65 HydrophobicContact CE2-CD2 4.39Å; F16-L65 HydrophobicContact CE2-CG 4.11Å; F16-L65 HydrophobicContact CZ-CD1 4.27Å; F16-L65 HydrophobicContact CZ-CD2 4.15Å; F16-L65 HydrophobicContact CZ-CG 4.14Å; P63-L65 PolarHBondContact O-N 3.44Å; L65-Y67 HydrophobicContact CD2-CD1 3.89Å; L65-Y67 HydrophobicContact CD2-CE1 4.01Å
66P98.2Very high96.1Very high61 Ų6145.8 Ų45.840%0.39626%0.264SS..SBendcis-78.4144.5-9.229.9-31.9000112.9R12 V13 F14 T64R12-P66 PolarHBondContact NH2-O 3.07Å; V13-P66 WeakPolarHBondContact O-CA 3.5Å; V13-P66 WeakPolarHBondContact O-CB 3.41Å; F14-P66 HydrophobicContact CD1-CB 3.56Å; F14-P66 HydrophobicContact CD1-CG 4.02Å; F14-P66 HydrophobicContact CE1-CB 3.83Å; F14-P66 HydrophobicContact CE1-CG 4.05Å; F14-P66 HydrophobicContact CG-CB 4.14Å; T64-P66 CarbonylContact O-C 3.58Å
67Y98.7Very high96.2Very high25 Ų2543.5 Ų43.510%0.09825%0.249CC..BIsolated β-bridgetrans-126.9166.5174.578.4-77000112.7R12 V13 F16 I54 R55 P63 L65 P69R12-Y67 WeakPolarHBondContact CA-O 3.33Å; V13-Y67 HydrophobicContact CB-CD1 3.96Å; V13-Y67 HydrophobicContact CB-CE1 3.54Å; V13-Y67 HydrophobicContact CG1-CD1 4.33Å; V13-Y67 HydrophobicContact CG1-CE1 3.59Å; V13-Y67 HydrophobicContact CG2-CE1 4.17Å; V13-Y67 PolarHBondContact N-O 3.26Å; V13-Y67 PolarHBondContact O-N 3.06Å; V13-Y67 VanDerWaalsContact O-N 3.14Å; F16-Y67 HydrophobicContact CE1-CE1 4.19Å; I54-Y67 HydrophobicContact CG2-CE2 4.27Å; R55-Y67 WeakPolarHBondContact CA-OH 3.34Å; R55-Y67 PolarHBondContact N-OH 3.35Å; P63-Y67 HydrophobicContact CB-CD1 3.83Å; P63-Y67 HydrophobicContact CB-CD2 4Å; P63-Y67 HydrophobicContact CB-CE1 4.33Å; P63-Y67 HydrophobicContact CB-CE2 4.48Å; P63-Y67 HydrophobicContact CB-CG 3.67Å; P63-Y67 HydrophobicContact CG-CD1 4.26Å; P63-Y67 HydrophobicContact CG-CD2 3.99Å; P63-Y67 HydrophobicContact CG-CE1 4.3Å; P63-Y67 HydrophobicContact CG-CE2 4.04Å; P63-Y67 HydrophobicContact CG-CG 4.13Å; L65-Y67 HydrophobicContact CD2-CD1 3.89Å; L65-Y67 HydrophobicContact CD2-CE1 4.01Å; Y67-P69 HydrophobicContact CD2-CG 4.44Å; Y67-P69 HydrophobicContact CE2-CB 4.07Å; Y67-P69 HydrophobicContact CE2-CG 3.77Å
68T98.8Very high96.3Very high11 Ų1144.8 Ų44.87%0.06725%0.254CS..  trans-108126.8169.7-67.20000108.8V11 R12 S100 G101 A104V11-T68 WeakPolarHBondContact O-CA 3.49Å; V11-T68 VanDerWaalsContact O-CB 3.27Å; V11-T68 WeakPolarHBondContact O-CB 3.4Å; V11-T68 VanDerWaalsContact O-CG2 3.26Å; V11-T68 WeakPolarHBondContact O-CG2 3.22Å; V11-T68 PolarHBondContact O-OG1 3.25Å; R12-T68 VanDerWaalsContact CD-OG1 3.23Å; R12-T68 WeakPolarHBondContact CD-OG1 3.17Å; R12-T68 PolarHBondContact NH1-OG1 2.95Å; T68-S100 WeakPolarHBondContact CB-O 3.2Å; T68-G101 WeakPolarHBondContact O-CA 3.4Å; T68-A104 HydrophobicContact CG2-CB 4.32Å
69P98.6Very high96.7Very high6 Ų642.9 Ų42.94%0.03924%0.235CC..  trans-72.9174.9176.6-14.928.9000113.6V13 L22 Y67 G101 G102 Y103V13-P69 HydrophobicContact CG2-CG 3.86Å; L22-P69 HydrophobicContact CD2-CG 3.97Å; Y67-P69 HydrophobicContact CD2-CG 4.44Å; Y67-P69 HydrophobicContact CE2-CB 4.07Å; Y67-P69 HydrophobicContact CE2-CG 3.77Å; P69-G101 CarbonylContact O-C 3.55Å; P69-G102 PolarHBondContact O-N 2.75Å; P69-Y103 HydrophobicContact CB-CD2 3.65Å; P69-Y103 HydrophobicContact CB-CE2 3.8Å; P69-Y103 HydrophobicContact CB-CG 4.31Å; P69-Y103 HydrophobicContact CG-CD2 4.01Å; P69-Y103 HydrophobicContact CG-CE2 4.37Å; P69-Y103 WeakPolarHBondContact O-CB 3.47Å; P69-Y103 PolarHBondContact O-N 3.07Å
70G97.9Very high97.1Very high7 Ų741.8 Ų41.87%0.07224%0.236CC..  trans101.3126.9170.900000114.2T98 G102G70-T98 PolarHBondContact O-OG1 2.84Å; G70-G102 PolarHBondContact O-N 2.95Å
71T97.7Very high97.6Very high12 Ų1236.5 Ų36.57%0.07420%0.2CC..SBendtrans-109.4-30.3177.554.50000113.8E51 V73 N97 I131 F272E51-T71 PolarHBondContact OE1-N 2.99Å; T71-V73 PolarHBondContact O-N 2.92Å; T71-N97 CarbonylContact O-C 3.59Å; T71-I131 WeakPolarHBondContact OG1-CG1 3.44Å; T71-F272 HydrophobicContact CG2-CZ 4.45Å
72D98.2Very high98.1Very high0 Ų039.2 Ų39.20%022%0.222CC..EExtended strand (participates in β ladder)trans-101.868.1-163.1-61.9-6.7000111.2C45 G46 N48 I131 P132 K324C45-D72 CarbonylContact C-O 3.51Å; C45-D72 VanDerWaalsContact CA-O 3.3Å; C45-D72 WeakPolarHBondContact CA-O 3.37Å; G46-D72 PolarHBondContact N-O 2.92Å; N48-D72 PolarHBondContact ND2-OD2 3.38Å; D72-I131 VanDerWaalsContact CG-N 3.29Å; D72-I131 WeakPolarHBondContact OD1-CG1 3.43Å; D72-I131 PolarHBondContact OD1-N 3.27Å; D72-I131 WeakPolarHBondContact OD2-CB 3.38Å; D72-I131 PolarHBondContact OD2-N 3.13Å; D72-P132 WeakPolarHBondContact OD2-CD 3.39Å; D72-K324 IonicContact OD2-NZ 2.78Å
73V98.8Very high98.3Very high0 Ų035.4 Ų35.40%021%0.213CC..EExtended strand (participates in β ladder)trans-83.6149.1177.3-600000111.3I40 V42 A44 C45 T71 F94 C95 T98 A107I40-V73 HydrophobicContact CD1-CG2 4.08Å; V42-V73 HydrophobicContact CG1-CB 4.09Å; V42-V73 HydrophobicContact CG1-CG1 4.01Å; V42-V73 HydrophobicContact CG2-CB 4.12Å; V42-V73 HydrophobicContact CG2-CG1 3.92Å; A44-V73 WeakPolarHBondContact O-CA 3.29Å; C45-V73 HydrophobicContact CB-CG1 4.29Å; T71-V73 PolarHBondContact O-N 2.92Å; V73-F94 CarbonylContact O-C 3.57Å; V73-F94 WeakPolarHBondContact O-CA 3.43Å; V73-C95 HydrophobicContact CG2-CB 3.77Å; V73-C95 WeakPolarHBondContact CG2-SG 3.15Å; V73-C95 PolarHBondContact O-N 3.27Å; V73-T98 HydrophobicContact CG1-CG2 3.94Å; V73-T98 HydrophobicContact CG2-CG2 3.94Å; V73-A107 HydrophobicContact CG1-CB 4.07Å; V73-A107 HydrophobicContact CG2-CB 4.45Å
74A98.9Very high98.4Very high0 Ų034.8 Ų34.80%021%0.209CC..EExtended strand (participates in β ladder)trans-134.5143160.800000110.7H43 A44 V93 F94 F123 G126 A127H43-A74 PolarHBondContact N-O 3.41Å; A44-A74 PolarHBondContact N-O 2.91Å; A44-A74 PolarHBondContact O-N 2.94Å; A74-V93 CarbonylContact C-O 3.51Å; A74-V93 VanDerWaalsContact CA-O 3.24Å; A74-V93 WeakPolarHBondContact CA-O 3.36Å; A74-F94 HydrophobicContact CB-CB 3.96Å; A74-F123 HydrophobicContact CB-CB 4.33Å; A74-F123 HydrophobicContact CB-CD1 4.4Å; A74-F123 VanDerWaalsContact CB-O 3.26Å; A74-F123 WeakPolarHBondContact CB-O 3.46Å; A74-G126 VanDerWaalsContact CB-C 3.46Å; A74-A127 HydrophobicContact CB-CB 4.24Å; A74-A127 VanDerWaalsContact CB-N 3.34Å
75G98.9Very high98.4Very high0 Ų034.3 Ų34.30%021%0.21CC..EExtended strand (participates in β ladder)trans170.1-150-173.800000112.5K41 V93 F123K41-G75 VanDerWaalsContact O-CA 3.32Å; K41-G75 WeakPolarHBondContact O-CA 3.31Å; G75-V93 PolarHBondContact N-O 3.34Å; G75-V93 PolarHBondContact O-N 3.16Å; G75-F123 VanDerWaalsContact O-CE1 3.28Å; G75-F123 WeakPolarHBondContact O-CE1 3.2Å
76V98.9Very high98.3Very high35 Ų3534.7 Ų34.721%0.21222%0.223CC..EExtended strand (participates in β ladder)trans-121.6134.1-172.7-178.80000110.6I40 K41 V78 D91 F123I40-V76 CarbonylContact C-O 3.5Å; I40-V76 WeakPolarHBondContact CA-O 3.39Å; K41-V76 PolarHBondContact N-O 2.64Å; K41-V76 PolarHBondContact O-N 3.48Å; V76-V78 PolarHBondContact O-N 3.14Å; V76-D91 WeakPolarHBondContact CA-O 3.14Å; V76-F123 HydrophobicContact CG2-CE1 4.19Å; V76-F123 HydrophobicContact CG2-CE2 4.38Å; V76-F123 HydrophobicContact CG2-CZ 3.61Å
77I98.9Very high98.3Very high1 Ų132.9 Ų32.91%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-67.2126.5173.5-67-178.6000109.6V38 I40 V80 F87 K88 K89 G90 D91 V93V38-I77 HydrophobicContact CB-CD1 4.34Å; V38-I77 HydrophobicContact CG1-CD1 4.35Å; V38-I77 HydrophobicContact CG2-CD1 4.45Å; I40-I77 HydrophobicContact CG1-CG1 4.22Å; I77-V80 HydrophobicContact CG2-CG1 3.61Å; I77-F87 HydrophobicContact CD1-CB 3.46Å; I77-F87 VanDerWaalsContact CD1-CB 3.46Å; I77-F87 HydrophobicContact CD1-CD1 3.78Å; I77-F87 HydrophobicContact CD1-CG 3.67Å; I77-K88 WeakPolarHBondContact CB-O 3.41Å; I77-K88 WeakPolarHBondContact CG2-O 3.44Å; I77-K89 CarbonylContact O-C 3.42Å; I77-K89 WeakPolarHBondContact O-CA 3.44Å; I77-G90 PolarHBondContact O-N 3.01Å; I77-D91 HydrophobicContact CD1-CB 4.3Å; I77-D91 PolarHBondContact N-O 2.92Å; I77-V93 HydrophobicContact CD1-CG1 3.73Å; I77-V93 HydrophobicContact CD1-CG2 4.28Å; I77-V93 HydrophobicContact CG1-CG1 4.02Å; I77-V93 HydrophobicContact CG1-CG2 3.8Å
78V98.6Very high98.3Very high41 Ų4138.1 Ų38.125%0.24823%0.232CC..EExtended strand (participates in β ladder)trans-106.8-25.3179.1-68.40000113.4L39 K41 V76 K89 F106L39-V78 HydrophobicContact CB-CG2 4.03Å; L39-V78 HydrophobicContact CD2-CG2 3.68Å; L39-V78 HydrophobicContact CG-CG2 3.7Å; L39-V78 VanDerWaalsContact O-CG2 3.32Å; L39-V78 WeakPolarHBondContact O-CG2 3.45Å; L39-V78 PolarHBondContact O-N 2.59Å; K41-V78 HydrophobicContact CB-CG1 3.63Å; V76-V78 PolarHBondContact O-N 3.14Å; V78-K89 WeakPolarHBondContact O-CD 3.29Å; V78-K89 WeakPolarHBondContact O-CG 3.33Å; V78-F106 HydrophobicContact CG1-CE1 4.24Å; V78-F106 HydrophobicContact CG2-CD1 3.9Å; V78-F106 HydrophobicContact CG2-CE1 3.9Å
79S98.4Very high98.3Very high43 Ų4345.1 Ų45.130%0.30126%0.262SS..EExtended strand (participates in β ladder)trans-159.3159.6171.655.50000110.5P33 L39P33-S79 WeakPolarHBondContact CG-OG 3.46Å; L39-S79 WeakPolarHBondContact CB-OG 3.49Å; L39-S79 PolarHBondContact N-O 3.23Å
80V98.8Very high98.3Very high50 Ų5047.1 Ų47.130%0.30328%0.283SS..EExtended strand (participates in β ladder)trans-130.6153179.4-57.30000109.4V38 I77 V84V38-V80 HydrophobicContact CB-CG1 4.43Å; V38-V80 HydrophobicContact CG1-CB 4.33Å; V38-V80 HydrophobicContact CG1-CG1 3.88Å; I77-V80 HydrophobicContact CG2-CG1 3.61Å; V80-V84 HydrophobicContact CB-CB 3.99Å; V80-V84 HydrophobicContact CB-CG1 4.14Å; V80-V84 HydrophobicContact CB-CG2 4.43Å; V80-V84 HydrophobicContact CG1-CG1 4.24Å; V80-V84 HydrophobicContact CG2-CB 4.48Å
81G98.3Very high98.3Very high3 Ų348.4 Ų48.43%0.03129%0.289CS..  trans-78.7164.6172.100000111.9G35 Q37 S83 V84G35-G81 CarbonylContact O-C 3.48Å; G35-G81 WeakPolarHBondContact O-CA 3.41Å; Q37-G81 PolarHBondContact O-N 3.24Å; G81-S83 PolarHBondContact O-N 3.38Å; G81-V84 PolarHBondContact O-N 3.15Å; G81-V84 VanDerWaalsContact O-N 3.1Å
82D97.8Very high98.4Very high163 Ų16349.7 Ų49.787%0.87229%0.292SS*.THydrogen-bonded Turntrans-63.9-16.2-168.9-49.9-39.6000114.9
83S98.2Very high98.4Very high60 Ų6049.7 Ų49.742%0.4229%0.292SS..THydrogen-bonded Turntrans-103.11.3-179.7-45.90000113.7G35 H36 G81G35-S83 PolarHBondContact O-N 3.07Å; G35-S83 VanDerWaalsContact O-N 3.12Å; H36-S83 PolarHBondContact CE1-O 3.07Å; H36-S83 VanDerWaalsContact CE1-O 3.26Å; H36-S83 PolarHBondContact ND1-O 2.92Å; G81-S83 PolarHBondContact O-N 3.38Å
84V98.1Very high98.4Very high18 Ų1849.8 Ų49.811%0.10929%0.292CS..  trans-85.3120.8178.3178.30000110Q37 V38 V80 G81 F87 D111Q37-V84 WeakPolarHBondContact O-CG2 3.42Å; V38-V84 HydrophobicContact CG1-CB 4.49Å; V38-V84 HydrophobicContact CG1-CG1 3.86Å; V38-V84 HydrophobicContact CG1-CG2 4Å; V80-V84 HydrophobicContact CB-CB 3.99Å; V80-V84 HydrophobicContact CB-CG1 4.14Å; V80-V84 HydrophobicContact CB-CG2 4.43Å; V80-V84 HydrophobicContact CG1-CG1 4.24Å; V80-V84 HydrophobicContact CG2-CB 4.48Å; G81-V84 PolarHBondContact O-N 3.15Å; G81-V84 VanDerWaalsContact O-N 3.1Å; V84-F87 HydrophobicContact CG1-CB 4.01Å; V84-F87 HydrophobicContact CG1-CD2 4.33Å; V84-D111 HydrophobicContact CG1-CB 4.34Å; V84-D111 HydrophobicContact CG2-CB 4.1Å
85S97Very high98.4Very high119 Ų11949.8 Ų49.883%0.83229%0.292SS*.  trans-113.6-23.4175.758.70000113.9F87S85-F87 VanDerWaalsContact C-N 3.3Å; S85-F87 PolarHBondContact O-N 2.98Å
86A96.9Very high98.2Very high74 Ų7449.8 Ų49.861%0.61229%0.292SS*.SBendtrans-76.4-14.9-175.700000114.1
87F98.4Very high98.1Very high23 Ų2350 Ų5010%0.10129%0.293CS..  trans-138.4153.2-171.8-64.4-69000112.4V38 I77 V84 S85 V93 D111 V114V38-F87 HydrophobicContact CG1-CB 4.43Å; V38-F87 HydrophobicContact CG1-CD2 4.45Å; I77-F87 HydrophobicContact CD1-CB 3.46Å; I77-F87 VanDerWaalsContact CD1-CB 3.46Å; I77-F87 HydrophobicContact CD1-CD1 3.78Å; I77-F87 HydrophobicContact CD1-CG 3.67Å; V84-F87 HydrophobicContact CG1-CB 4.01Å; V84-F87 HydrophobicContact CG1-CD2 4.33Å; S85-F87 VanDerWaalsContact C-N 3.3Å; S85-F87 PolarHBondContact O-N 2.98Å; F87-V93 HydrophobicContact CD1-CG1 4.08Å; F87-V93 HydrophobicContact CE1-CG1 3.98Å; F87-D111 HydrophobicContact CD2-CB 4.38Å; F87-V114 HydrophobicContact CE1-CG1 4.16Å; F87-V114 HydrophobicContact CE2-CB 3.92Å; F87-V114 HydrophobicContact CE2-CG1 4.04Å; F87-V114 HydrophobicContact CZ-CB 4.02Å; F87-V114 HydrophobicContact CZ-CG1 3.84Å; F87-V114 WeakPolarHBondContact CZ-O 3.37Å
88K98.4Very high98.1Very high134 Ų13450.3 Ų50.358%0.58330%0.295SS*.  trans-137.7165.6174.765.3-174.7-177.9-550111.7I77 G90 D91I77-K88 WeakPolarHBondContact CB-O 3.41Å; I77-K88 WeakPolarHBondContact CG2-O 3.44Å; K88-G90 PolarHBondContact O-N 3.13Å; K88-D91 WeakPolarHBondContact CG-OD1 3.25Å; K88-D91 WeakPolarHBondContact CG-OD2 3.45Å; K88-D91 PolarHBondContact N-OD2 3.11Å; K88-D91 IonicContact NZ-OD1 2.95Å; K88-D91 PolarHBondContact NZ-OD1 3.18Å; K88-D91 IonicContact NZ-OD2 2.75Å; K88-D91 WeakPolarHBondContact O-CB 3.47Å; K88-D91 VanDerWaalsContact O-CG 3.31Å; K88-D91 PolarHBondContact O-N 2.86Å
89K98.6Very high98.1Very high159 Ų15952.3 Ų52.369%0.69131%0.306SS*.THydrogen-bonded Turntrans-54.7133.6172-178.9178.9-178.7-176.40110.6I77 V78I77-K89 CarbonylContact O-C 3.42Å; I77-K89 WeakPolarHBondContact O-CA 3.44Å; V78-K89 WeakPolarHBondContact O-CD 3.29Å; V78-K89 WeakPolarHBondContact O-CG 3.33Å
90G98.6Very high98.1Very high47 Ų4751.8 Ų51.849%0.48530%0.303SS..THydrogen-bonded Turntrans98-14.6-179.500000114.4I77 K88I77-G90 PolarHBondContact O-N 3.01Å; K88-G90 PolarHBondContact O-N 3.13Å
91D98.8Very high98.1Very high34 Ų3449.6 Ų49.618%0.18229%0.291CS..  trans-66.3136178.8-68.3-16000111.4V76 I77 K88 V93V76-D91 WeakPolarHBondContact CA-O 3.14Å; I77-D91 HydrophobicContact CD1-CB 4.3Å; I77-D91 PolarHBondContact N-O 2.92Å; K88-D91 WeakPolarHBondContact CG-OD1 3.25Å; K88-D91 WeakPolarHBondContact CG-OD2 3.45Å; K88-D91 PolarHBondContact N-OD2 3.11Å; K88-D91 IonicContact NZ-OD1 2.95Å; K88-D91 PolarHBondContact NZ-OD1 3.18Å; K88-D91 IonicContact NZ-OD2 2.75Å; K88-D91 WeakPolarHBondContact O-CB 3.47Å; K88-D91 VanDerWaalsContact O-CG 3.31Å; K88-D91 PolarHBondContact O-N 2.86Å; D91-V93 HydrophobicContact CB-CG1 4.31Å
92R98.9Very high98.1Very high39 Ų3949.5 Ų49.515%0.14729%0.289CS..EExtended strand (participates in β ladder)trans-83.6124.2172.8-60.5175.474-11412.2108.8L117 P118 E119 L121 F123R92-L117 HydrophobicContact CB-CB 4.33Å; R92-L117 PolarHBondContact NH1-O 3.44Å; R92-L117 PolarHBondContact O-N 2.95Å; R92-P118 PolarHBondContact NH1-O 2.77Å; R92-E119 VanDerWaalsContact CD-CD 3.49Å; R92-E119 WeakPolarHBondContact CD-OE1 3.24Å; R92-E119 WeakPolarHBondContact CD-OE2 3.3Å; R92-E119 IonicContact CZ-OE2 3.21Å; R92-E119 IonicContact NE-OE1 3.08Å; R92-E119 IonicContact NE-OE2 2.73Å; R92-E119 PolarHBondContact NE-OE2 2.84Å; R92-E119 VanDerWaalsContact NH1-CA 3.33Å; R92-E119 IonicContact NH1-OE2 3.77Å; R92-L121 PolarHBondContact NH2-O 3.33Å; R92-F123 HydrophobicContact CB-CE1 3.98Å; R92-F123 HydrophobicContact CB-CZ 4.39Å; R92-F123 HydrophobicContact CG-CE1 4.05Å; R92-F123 HydrophobicContact CG-CZ 3.95Å
93V98.9Very high98.1Very high0 Ų041.7 Ų41.70%025%0.248CC..EExtended strand (participates in β ladder)trans-139.2160.4-172.7-62.50000112.7I40 A74 G75 I77 F87 D91 V114 Y115I40-V93 HydrophobicContact CD1-CG2 3.81Å; I40-V93 HydrophobicContact CG1-CG2 3.95Å; I40-V93 HydrophobicContact CG2-CG2 4.16Å; A74-V93 CarbonylContact C-O 3.51Å; A74-V93 VanDerWaalsContact CA-O 3.24Å; A74-V93 WeakPolarHBondContact CA-O 3.36Å; G75-V93 PolarHBondContact N-O 3.34Å; G75-V93 PolarHBondContact O-N 3.16Å; I77-V93 HydrophobicContact CD1-CG1 3.73Å; I77-V93 HydrophobicContact CD1-CG2 4.28Å; I77-V93 HydrophobicContact CG1-CG1 4.02Å; I77-V93 HydrophobicContact CG1-CG2 3.8Å; F87-V93 HydrophobicContact CD1-CG1 4.08Å; F87-V93 HydrophobicContact CE1-CG1 3.98Å; D91-V93 HydrophobicContact CB-CG1 4.31Å; V93-V114 HydrophobicContact CB-CG1 3.65Å; V93-V114 HydrophobicContact CG1-CG1 3.8Å; V93-V114 HydrophobicContact CG2-CG1 3.94Å; V93-Y115 CarbonylContact C-O 3.5Å; V93-Y115 WeakPolarHBondContact CA-O 3.47Å; V93-Y115 WeakPolarHBondContact CB-O 3.44Å
94F98.8Very high98.1Very high2 Ų238.9 Ų38.91%0.00923%0.228CC..EExtended strand (participates in β ladder)trans-131162.9162.275.3-83.6000110.5V73 A74 Y115 L117 G126 L129 F134 M290V73-F94 CarbonylContact O-C 3.57Å; V73-F94 WeakPolarHBondContact O-CA 3.43Å; A74-F94 HydrophobicContact CB-CB 3.96Å; F94-Y115 HydrophobicContact CD2-CD2 4.17Å; F94-Y115 HydrophobicContact CE1-CG 4.43Å; F94-Y115 AromaticContact CE2-CD2 3.65Å; F94-Y115 HydrophobicContact CE2-CD2 3.65Å; F94-Y115 HydrophobicContact CE2-CE2 4.47Å; F94-Y115 HydrophobicContact CE2-CG 4.23Å; F94-Y115 AromaticContact CZ-CD2 3.88Å; F94-Y115 HydrophobicContact CZ-CD2 3.88Å; F94-Y115 AromaticContact CZ-CG 3.97Å; F94-Y115 HydrophobicContact CZ-CG 3.97Å; F94-Y115 PolarHBondContact N-O 2.81Å; F94-Y115 PolarHBondContact O-N 2.78Å; F94-L117 HydrophobicContact CD1-CB 4.26Å; F94-L117 HydrophobicContact CD1-CD1 4.09Å; F94-G126 WeakPolarHBondContact CB-O 3.3Å; F94-L129 HydrophobicContact CD1-CD1 3.67Å; F94-L129 HydrophobicContact CD2-CB 3.52Å; F94-L129 HydrophobicContact CD2-CD1 4.03Å; F94-L129 HydrophobicContact CD2-CG 4.43Å; F94-L129 HydrophobicContact CE1-CD1 3.66Å; F94-L129 HydrophobicContact CE2-CB 3.46Å; F94-L129 VanDerWaalsContact CE2-CB 3.46Å; F94-L129 HydrophobicContact CE2-CD1 4.03Å; F94-L129 HydrophobicContact CE2-CG 4.37Å; F94-L129 HydrophobicContact CG-CB 4.15Å; F94-L129 HydrophobicContact CG-CD1 3.84Å; F94-L129 HydrophobicContact CZ-CB 4.05Å; F94-L129 HydrophobicContact CZ-CD1 3.85Å; F94-F134 HydrophobicContact CE2-CE2 4.04Å; F94-F134 HydrophobicContact CZ-CE2 4.5Å; F94-M290 HydrophobicContact CE1-CE 4Å; F94-M290 HydrophobicContact CE1-SD 4.42Å; F94-M290 HydrophobicContact CZ-CE 4.43Å
95C98Very high98.2Very high0 Ų040.3 Ų40.30%023%0.234CC..EExtended strand (participates in β ladder)trans-124.8154.1-176.7-59.90000113I40 V73 N97 T113 G130I40-C95 WeakPolarHBondContact CD1-SG 3.38Å; V73-C95 HydrophobicContact CG2-CB 3.77Å; V73-C95 WeakPolarHBondContact CG2-SG 3.15Å; V73-C95 PolarHBondContact O-N 3.27Å; C95-N97 WeakPolarHBondContact CB-O 3.4Å; C95-T113 VanDerWaalsContact CA-O 3.28Å; C95-T113 WeakPolarHBondContact CA-O 3.4Å; C95-G130 VanDerWaalsContact O-CA 3.32Å; C95-G130 WeakPolarHBondContact O-CA 3.45Å
96S95.8Very high98.3Very high0 Ų035.7 Ų35.70%020%0.199CC..SBendtrans-101.7-6163.863.60000113.1T113 Y115S96-T113 PolarHBondContact N-O 2.86Å; S96-Y115 WeakPolarHBondContact OG-CE2 3.34Å; S96-Y115 PolarHBondContact OG-OH 2.77Å
97N96.7Very high98.3Very high40 Ų4032.2 Ų32.221%0.21417%0.169CC..  trans-160.5157.8174.2-165.128.1000111.1T71 C95 T113T71-N97 CarbonylContact O-C 3.59Å; C95-N97 WeakPolarHBondContact CB-O 3.4Å; N97-T113 HydrophobicContact CB-CG2 4.01Å; N97-T113 PolarHBondContact O-OG1 2.99Å
98T98.1Very high98.4Very high8 Ų831.8 Ų31.85%0.04917%0.168CC..  trans-127.2155.9169.567.20000110.3G70 V73 G101 G102 A107G70-T98 PolarHBondContact O-OG1 2.84Å; V73-T98 HydrophobicContact CG1-CG2 3.94Å; V73-T98 HydrophobicContact CG2-CG2 3.94Å; T98-G101 WeakPolarHBondContact OG1-CA 3.24Å; T98-G101 PolarHBondContact OG1-N 3.16Å; T98-G101 VanDerWaalsContact OG1-N 3.1Å; T98-G102 PolarHBondContact OG1-N 3.12Å; T98-A107 HydrophobicContact CG2-CB 4.18Å
99V97.9Very high98.4Very high82 Ų8225.4 Ų25.450%0.49714%0.141SC..SBendtrans-85.6-46173.1177.30000110.2L108 A110V99-L108 HydrophobicContact CB-CB 4.29Å; V99-L108 HydrophobicContact CB-CD2 4.45Å; V99-L108 HydrophobicContact CB-CG 4.47Å; V99-L108 HydrophobicContact CG1-CD2 4.26Å; V99-L108 PolarHBondContact N-O 2.74Å; V99-A110 HydrophobicContact CG2-CB 4.38Å
100S98.3Very high98.3Very high33 Ų3318.7 Ų18.723%0.23112%0.115CC..SBendtrans-94.1-11.6-174.667.30000114.8T68 L108T68-S100 WeakPolarHBondContact CB-O 3.2Å; S100-L108 PolarHBondContact N-O 2.64Å; S100-L108 WeakPolarHBondContact OG-CB 3.48Å; S100-L108 PolarHBondContact OG-N 2.77Å
101G98.5Very high98.3Very high4 Ų417.7 Ų17.74%0.04110%0.098CC..  trans100140.6-169.500000113.2T68 P69 T98 A107T68-G101 WeakPolarHBondContact O-CA 3.4Å; P69-G101 CarbonylContact O-C 3.55Å; T98-G101 WeakPolarHBondContact OG1-CA 3.24Å; T98-G101 PolarHBondContact OG1-N 3.16Å; T98-G101 VanDerWaalsContact OG1-N 3.1Å; G101-A107 WeakPolarHBondContact O-CB 3.42Å
102G98.6Very high98.2Very high0 Ų020.9 Ų20.90%011%0.112CC..SBendtrans-94.6-13.8-175.400000115.9C45 P69 G70 T98 A104C45-G102 WeakPolarHBondContact CB-O 3.3Å; P69-G102 PolarHBondContact O-N 2.75Å; G70-G102 PolarHBondContact O-N 2.95Å; T98-G102 PolarHBondContact OG1-N 3.12Å; G102-A104 PolarHBondContact O-N 3.35Å
103Y98.8Very high98.1Very high0 Ų019.7 Ų19.70%011%0.109CC..SBendtrans-78.957.5174.7-66.3-0.6000111A10 V11 C45 V47 E51 P69 V308 H312 L327A10-Y103 WeakPolarHBondContact CA-O 3.46Å; V11-Y103 HydrophobicContact CB-CD2 4.41Å; V11-Y103 PolarHBondContact N-O 3.41Å; C45-Y103 HydrophobicContact CB-CD1 4.07Å; C45-Y103 HydrophobicContact CB-CE1 4.39Å; C45-Y103 VanDerWaalsContact SG-CD1 3.57Å; V47-Y103 WeakPolarHBondContact CG1-OH 3Å; E51-Y103 PolarHBondContact OE2-OH 3.29Å; P69-Y103 HydrophobicContact CB-CD2 3.65Å; P69-Y103 HydrophobicContact CB-CE2 3.8Å; P69-Y103 HydrophobicContact CB-CG 4.31Å; P69-Y103 HydrophobicContact CG-CD2 4.01Å; P69-Y103 HydrophobicContact CG-CE2 4.37Å; P69-Y103 WeakPolarHBondContact O-CB 3.47Å; P69-Y103 PolarHBondContact O-N 3.07Å; Y103-V308 HydrophobicContact CD2-CG2 3.71Å; Y103-V308 HydrophobicContact CE2-CG2 3.65Å; Y103-H312 AromaticContact CE2-NE2 3.35Å; Y103-H312 WeakPolarHBondContact CE2-NE2 3.41Å; Y103-H312 AromaticContact CZ-NE2 3.69Å; Y103-H312 PolarHBondContact OH-NE2 2.96Å; Y103-H312 VanDerWaalsContact OH-NE2 3.11Å; Y103-L327 HydrophobicContact CD1-CD1 3.48Å; Y103-L327 VanDerWaalsContact CD1-CD1 3.48Å; Y103-L327 HydrophobicContact CD1-CG 4.5Å; Y103-L327 HydrophobicContact CD2-CD1 3.87Å; Y103-L327 HydrophobicContact CE1-CD1 3.56Å; Y103-L327 HydrophobicContact CE1-CG 4.28Å; Y103-L327 HydrophobicContact CE2-CD1 3.95Å; Y103-L327 HydrophobicContact CG-CD1 3.64Å
104A98.8Very high98.1Very high1 Ų120 Ų201%0.00811%0.11CC..BIsolated β-bridgetrans-155.1158.2-17400000110.4M8 R9 A10 V42 T68 G102 F106M8-A104 HydrophobicContact CE-CB 3.97Å; M8-A104 HydrophobicContact SD-CB 4.24Å; R9-A104 WeakPolarHBondContact O-CA 3.36Å; A10-A104 HydrophobicContact CB-CB 3.55Å; V42-A104 VanDerWaalsContact CB-O 3.3Å; V42-A104 WeakPolarHBondContact CB-O 3.36Å; V42-A104 WeakPolarHBondContact CG2-O 3.3Å; T68-A104 HydrophobicContact CG2-CB 4.32Å; G102-A104 PolarHBondContact O-N 3.35Å; A104-F106 WeakPolarHBondContact CB-O 3.37Å; A104-F106 PolarHBondContact O-N 3.32Å
105E98.8Very high98Very high48 Ų4820.9 Ų20.922%0.22411%0.114CC..SBendtrans-66.9-27174.8-63.7174.4148.200112.5M8 R9 V42M8-E105 WeakPolarHBondContact CA-OE2 3.29Å; M8-E105 HydrophobicContact CB-CB 4.28Å; M8-E105 WeakPolarHBondContact CB-OE2 3.42Å; R9-E105 HydrophobicContact CB-CG 4.05Å; R9-E105 IonicContact CZ-OE1 3.62Å; R9-E105 PolarHBondContact N-OE2 3.4Å; R9-E105 IonicContact NE-OE1 2.88Å; R9-E105 PolarHBondContact NE-OE1 3.42Å; R9-E105 IonicContact NH2-OE1 2.59Å; R9-E105 PolarHBondContact NH2-OE1 2.77Å; R9-E105 PolarHBondContact O-N 2.87Å; V42-E105 PolarHBondContact N-O 2.86Å
106F98.8Very high98.1Very high22 Ų2224.7 Ų24.710%0.09614%0.137CC..EExtended strand (participates in β ladder)trans-131.7137171.9-61.7-97000111M8 V30 L39 I40 K41 V78 A104M8-F106 HydrophobicContact CB-CD2 4.18Å; M8-F106 HydrophobicContact SD-CB 3.71Å; M8-F106 HydrophobicContact SD-CD2 4.11Å; M8-F106 HydrophobicContact SD-CG 4.41Å; V30-F106 HydrophobicContact CG1-CB 4.23Å; V30-F106 HydrophobicContact CG1-CD2 4.44Å; V30-F106 HydrophobicContact CG1-CG 4.17Å; V30-F106 HydrophobicContact CG2-CD2 4.01Å; V30-F106 HydrophobicContact CG2-CE2 4.46Å; L39-F106 HydrophobicContact CD1-CB 4.01Å; L39-F106 HydrophobicContact CD2-CD1 4.32Å; L39-F106 HydrophobicContact CG-CB 4.48Å; L39-F106 HydrophobicContact CG-CD1 4.31Å; I40-F106 CarbonylContact O-C 3.58Å; I40-F106 VanDerWaalsContact O-CA 3.23Å; I40-F106 WeakPolarHBondContact O-CA 3.4Å; K41-F106 HydrophobicContact CB-CD1 4.03Å; K41-F106 HydrophobicContact CB-CE1 3.71Å; K41-F106 HydrophobicContact CB-CZ 4.41Å; K41-F106 HydrophobicContact CD-CE1 4.49Å; K41-F106 HydrophobicContact CD-CZ 4.49Å; K41-F106 HydrophobicContact CG-CD1 4.48Å; K41-F106 HydrophobicContact CG-CE1 3.94Å; K41-F106 HydrophobicContact CG-CZ 4.14Å; V78-F106 HydrophobicContact CG1-CE1 4.24Å; V78-F106 HydrophobicContact CG2-CD1 3.9Å; V78-F106 HydrophobicContact CG2-CE1 3.9Å; A104-F106 WeakPolarHBondContact CB-O 3.37Å; A104-F106 PolarHBondContact O-N 3.32Å
107A98.8Very high98.2Very high0 Ų024.9 Ų24.90%014%0.138CC..EExtended strand (participates in β ladder)trans-126.4133.5178.200000111I40 V42 V73 T98 G101I40-A107 PolarHBondContact N-O 3.34Å; I40-A107 PolarHBondContact O-N 3.22Å; V42-A107 HydrophobicContact CG2-CB 3.7Å; V73-A107 HydrophobicContact CG1-CB 4.07Å; V73-A107 HydrophobicContact CG2-CB 4.45Å; T98-A107 HydrophobicContact CG2-CB 4.18Å; G101-A107 WeakPolarHBondContact O-CB 3.42Å
108L98.6Very high98.3Very high15 Ų1524.5 Ų24.58%0.07914%0.138CC..EExtended strand (participates in β ladder)trans-83130.3168.7-155.865.4000108.6P31 P33 Q37 V38 L39 V99 S100P31-L108 HydrophobicContact CB-CB 4.19Å; P31-L108 HydrophobicContact CB-CD1 4.2Å; P31-L108 HydrophobicContact CB-CD2 4.18Å; P31-L108 HydrophobicContact CB-CG 4.45Å; P33-L108 HydrophobicContact CB-CD1 3.78Å; Q37-L108 HydrophobicContact CB-CD1 4.19Å; Q37-L108 HydrophobicContact CB-CG 4.28Å; Q37-L108 HydrophobicContact CG-CG 4.49Å; V38-L108 WeakPolarHBondContact O-CA 3.26Å; L39-L108 HydrophobicContact CD1-CD1 4.25Å; V99-L108 HydrophobicContact CB-CB 4.29Å; V99-L108 HydrophobicContact CB-CD2 4.45Å; V99-L108 HydrophobicContact CB-CG 4.47Å; V99-L108 HydrophobicContact CG1-CD2 4.26Å; V99-L108 PolarHBondContact N-O 2.74Å; S100-L108 PolarHBondContact N-O 2.64Å; S100-L108 WeakPolarHBondContact OG-CB 3.48Å; S100-L108 PolarHBondContact OG-N 2.77Å
109A98.6Very high98.2Very high0 Ų031.3 Ų31.30%017%0.169CC..EExtended strand (participates in β ladder)trans-132.2152174.300000110.1Q37 V38 I40 V114Q37-A109 CarbonylContact C-O 3.52Å; Q37-A109 VanDerWaalsContact CA-O 3.27Å; Q37-A109 WeakPolarHBondContact CA-O 2.87Å; V38-A109 HydrophobicContact CG2-CB 4.23Å; V38-A109 PolarHBondContact N-O 2.98Å; V38-A109 PolarHBondContact O-N 3.46Å; I40-A109 HydrophobicContact CD1-CB 4.13Å; A109-V114 HydrophobicContact CB-CG2 3.6Å
110A98.1Very high98.2Very high18 Ų1832.7 Ų32.715%0.14918%0.178CC..EExtended strand (participates in β ladder)trans-78.1136.3168.500000108.3H36 V99 H112 T113 V114H36-A110 CarbonylContact O-C 3.57Å; H36-A110 WeakPolarHBondContact O-CA 3.19Å; V99-A110 HydrophobicContact CG2-CB 4.38Å; A110-H112 VanDerWaalsContact CB-CE1 3.46Å; A110-H112 WeakPolarHBondContact CB-CE1 3.28Å; A110-H112 PolarHBondContact O-N 2.94Å; A110-H112 VanDerWaalsContact O-N 3.14Å; A110-T113 PolarHBondContact O-N 3.46Å; A110-T113 PolarHBondContact O-OG1 3.33Å; A110-V114 WeakPolarHBondContact O-CG2 3.27Å
111D97.6Very high98.2Very high26 Ų2631.6 Ų31.614%0.13917%0.17CC..G310 helixtrans-51.9-38.4-175.158.14.4000113.8H36 V84 F87 T113 V114H36-D111 IonicContact CG-OD2 3.81Å; H36-D111 IonicContact ND1-OD1 3.32Å; H36-D111 IonicContact ND1-OD2 3.6Å; H36-D111 PolarHBondContact ND1-OD2 3.25Å; H36-D111 PolarHBondContact O-N 3.36Å; V84-D111 HydrophobicContact CG1-CB 4.34Å; V84-D111 HydrophobicContact CG2-CB 4.1Å; F87-D111 HydrophobicContact CD2-CB 4.38Å; D111-T113 PolarHBondContact O-N 3.49Å; D111-T113 VanDerWaalsContact O-N 3.16Å; D111-V114 WeakPolarHBondContact O-CB 3.47Å; D111-V114 PolarHBondContact O-N 3.28Å; D111-V114 VanDerWaalsContact O-N 3.12Å
112H96.2Very high98.2Very high101 Ų10134.5 Ų34.547%0.46818%0.184SC..G310 helixtrans-70.1-6.6178.871.4-85.4000115.1A110A110-H112 VanDerWaalsContact CB-CE1 3.46Å; A110-H112 WeakPolarHBondContact CB-CE1 3.28Å; A110-H112 PolarHBondContact O-N 2.94Å; A110-H112 VanDerWaalsContact O-N 3.14Å
113T97.1Very high98.2Very high13 Ų1336.3 Ų36.38%0.0819%0.192CC..G310 helixtrans-109.19.7173.769.90000112.6C95 S96 N97 A110 D111 Y115C95-T113 VanDerWaalsContact CA-O 3.28Å; C95-T113 WeakPolarHBondContact CA-O 3.4Å; S96-T113 PolarHBondContact N-O 2.86Å; N97-T113 HydrophobicContact CB-CG2 4.01Å; N97-T113 PolarHBondContact O-OG1 2.99Å; A110-T113 PolarHBondContact O-N 3.46Å; A110-T113 PolarHBondContact O-OG1 3.33Å; D111-T113 PolarHBondContact O-N 3.49Å; D111-T113 VanDerWaalsContact O-N 3.16Å; T113-Y115 WeakPolarHBondContact O-CE2 3.38Å
114V98.5Very high98.2Very high6 Ų641 Ų414%0.03621%0.21CC..EExtended strand (participates in β ladder)trans-112.9140-177.4-177.20000108.2V38 I40 F87 V93 A109 A110 D111V38-V114 HydrophobicContact CG2-CG1 4.46Å; V38-V114 HydrophobicContact CG2-CG2 3.66Å; I40-V114 HydrophobicContact CD1-CG1 4.41Å; I40-V114 HydrophobicContact CD1-CG2 4.3Å; F87-V114 HydrophobicContact CE1-CG1 4.16Å; F87-V114 HydrophobicContact CE2-CB 3.92Å; F87-V114 HydrophobicContact CE2-CG1 4.04Å; F87-V114 HydrophobicContact CZ-CB 4.02Å; F87-V114 HydrophobicContact CZ-CG1 3.84Å; F87-V114 WeakPolarHBondContact CZ-O 3.37Å; V93-V114 HydrophobicContact CB-CG1 3.65Å; V93-V114 HydrophobicContact CG1-CG1 3.8Å; V93-V114 HydrophobicContact CG2-CG1 3.94Å; A109-V114 HydrophobicContact CB-CG2 3.6Å; A110-V114 WeakPolarHBondContact O-CG2 3.27Å; D111-V114 WeakPolarHBondContact O-CB 3.47Å; D111-V114 PolarHBondContact O-N 3.28Å; D111-V114 VanDerWaalsContact O-N 3.12Å
115Y98.6Very high98.2Very high22 Ų2243.2 Ų43.29%0.08622%0.22CC..EExtended strand (participates in β ladder)trans-138.2146.8-177-45-82.7000110.1V93 F94 S96 T113 F134 A283V93-Y115 CarbonylContact C-O 3.5Å; V93-Y115 WeakPolarHBondContact CA-O 3.47Å; V93-Y115 WeakPolarHBondContact CB-O 3.44Å; F94-Y115 HydrophobicContact CD2-CD2 4.17Å; F94-Y115 HydrophobicContact CE1-CG 4.43Å; F94-Y115 AromaticContact CE2-CD2 3.65Å; F94-Y115 HydrophobicContact CE2-CD2 3.65Å; F94-Y115 HydrophobicContact CE2-CE2 4.47Å; F94-Y115 HydrophobicContact CE2-CG 4.23Å; F94-Y115 AromaticContact CZ-CD2 3.88Å; F94-Y115 HydrophobicContact CZ-CD2 3.88Å; F94-Y115 AromaticContact CZ-CG 3.97Å; F94-Y115 HydrophobicContact CZ-CG 3.97Å; F94-Y115 PolarHBondContact N-O 2.81Å; F94-Y115 PolarHBondContact O-N 2.78Å; S96-Y115 WeakPolarHBondContact OG-CE2 3.34Å; S96-Y115 PolarHBondContact OG-OH 2.77Å; T113-Y115 WeakPolarHBondContact O-CE2 3.38Å; Y115-F134 HydrophobicContact CD1-CZ 4.37Å; Y115-F134 HydrophobicContact CD2-CE2 4.33Å; Y115-F134 HydrophobicContact CD2-CZ 4.05Å; Y115-F134 HydrophobicContact CE1-CE1 4.29Å; Y115-F134 AromaticContact CE1-CZ 3.86Å; Y115-F134 HydrophobicContact CE1-CZ 3.86Å; Y115-F134 HydrophobicContact CE2-CE1 4.25Å; Y115-F134 AromaticContact CE2-CE2 3.95Å; Y115-F134 HydrophobicContact CE2-CE2 3.95Å; Y115-F134 AromaticContact CE2-CZ 3.5Å; Y115-F134 HydrophobicContact CE2-CZ 3.5Å; Y115-F134 VanDerWaalsContact CE2-CZ 3.5Å; Y115-F134 HydrophobicContact CG-CZ 4.45Å; Y115-F134 AromaticContact CZ-CE1 3.78Å; Y115-F134 AromaticContact CZ-CZ 3.38Å; Y115-F134 WeakPolarHBondContact OH-CE1 3.38Å; Y115-A283 HydrophobicContact CD1-CB 3.64Å; Y115-A283 HydrophobicContact CE1-CB 3.43Å; Y115-A283 VanDerWaalsContact CE1-CB 3.43Å
116T98.4Very high98.2Very high79 Ų7941 Ų4149%0.48521%0.21SC..EExtended strand (participates in β ladder)trans-63.8135.2177-52.70000111Q287T116-Q287 PolarHBondContact O-NE2 2.84Å
117L98.7Very high98.2Very high4 Ų440 Ų402%0.02121%0.205CC..PPolyproline II helixtrans-101.5117.4173.2-175.970.3000109.4R92 F94 L121 F123 L129R92-L117 HydrophobicContact CB-CB 4.33Å; R92-L117 PolarHBondContact NH1-O 3.44Å; R92-L117 PolarHBondContact O-N 2.95Å; F94-L117 HydrophobicContact CD1-CB 4.26Å; F94-L117 HydrophobicContact CD1-CD1 4.09Å; L117-L121 HydrophobicContact CD1-CB 3.96Å; L117-L121 HydrophobicContact CD1-CD1 4.37Å; L117-F123 HydrophobicContact CD2-CD1 3.62Å; L117-F123 HydrophobicContact CD2-CE1 4.06Å; L117-L129 HydrophobicContact CD1-CD1 3.85Å
118P97.9Very high98.2Very high32 Ų3240 Ų4021%0.20821%0.206CC..PPolyproline II helixtrans-67.1152.3179.626.8-33.9000112.1R92 T120 L121 M290R92-P118 PolarHBondContact NH1-O 2.77Å; P118-T120 PolarHBondContact O-N 3.19Å; P118-T120 VanDerWaalsContact O-N 3.12Å; P118-L121 HydrophobicContact CG-CD1 4.29Å; P118-L121 HydrophobicContact CG-CG 4.33Å; P118-L121 PolarHBondContact O-N 2.98Å; P118-L121 VanDerWaalsContact O-N 3.07Å; P118-L121 VanDerWaalsContact O-O 3.13Å; P118-M290 HydrophobicContact CG-CB 3.94Å; P118-M290 HydrophobicContact CG-CE 4.49Å; P118-M290 HydrophobicContact CG-SD 4.08Å
119E97.2Very high98.2Very high151 Ų15139.3 Ų39.371%0.70620%0.202SC*.THydrogen-bonded Turntrans-59.7-22.4-179.9-66.1-60.7158.800113.6R92 L121R92-E119 VanDerWaalsContact CD-CD 3.49Å; R92-E119 WeakPolarHBondContact CD-OE1 3.24Å; R92-E119 WeakPolarHBondContact CD-OE2 3.3Å; R92-E119 IonicContact CZ-OE2 3.21Å; R92-E119 IonicContact NE-OE1 3.08Å; R92-E119 IonicContact NE-OE2 2.73Å; R92-E119 PolarHBondContact NE-OE2 2.84Å; R92-E119 VanDerWaalsContact NH1-CA 3.33Å; R92-E119 IonicContact NH1-OE2 3.77Å; E119-L121 PolarHBondContact O-N 3.07Å
120T97.3Very high98.2Very high111 Ų11139.3 Ų39.368%0.68120%0.202SC*.THydrogen-bonded Turntrans-71-15.4177.553.90000113.8P118P118-T120 PolarHBondContact O-N 3.19Å; P118-T120 VanDerWaalsContact O-N 3.12Å
121L98.5Very high98.2Very high11 Ų1139.2 Ų39.26%0.05820%0.199CC..SBendtrans-115133.9176.4-62.3-177.8000110.3R92 L117 P118 E119 Q125 L129 M290R92-L121 PolarHBondContact NH2-O 3.33Å; L117-L121 HydrophobicContact CD1-CB 3.96Å; L117-L121 HydrophobicContact CD1-CD1 4.37Å; P118-L121 HydrophobicContact CG-CD1 4.29Å; P118-L121 HydrophobicContact CG-CG 4.33Å; P118-L121 PolarHBondContact O-N 2.98Å; P118-L121 VanDerWaalsContact O-N 3.07Å; P118-L121 VanDerWaalsContact O-O 3.13Å; E119-L121 PolarHBondContact O-N 3.07Å; L121-Q125 HydrophobicContact CB-CB 4.32Å; L121-Q125 HydrophobicContact CD2-CB 4.49Å; L121-L129 HydrophobicContact CD1-CD1 4.37Å; L121-M290 HydrophobicContact CD1-CB 4.32Å; L121-M290 HydrophobicContact CD1-CG 3.76Å; L121-M290 HydrophobicContact CD1-SD 3.54Å; L121-M290 VanDerWaalsContact CD1-SD 3.54Å
122D98.7Very high98.3Very high65 Ų6538 Ų3835%0.34819%0.193SC..  trans-77.5171173.978.115.8000112R124 Q125 G126D122-R124 VanDerWaalsContact C-N 3.26Å; D122-R124 PolarHBondContact O-N 3.01Å; D122-R124 WeakPolarHBondContact OD1-CA 3.47Å; D122-R124 VanDerWaalsContact OD1-CB 3.27Å; D122-R124 WeakPolarHBondContact OD1-CB 3.17Å; D122-R124 PolarHBondContact OD1-N 2.84Å; D122-Q125 PolarHBondContact O-N 3.07Å; D122-Q125 WeakPolarHBondContact OD1-CG 3.37Å; D122-Q125 PolarHBondContact OD1-N 3.06Å; D122-G126 PolarHBondContact O-N 3.14Å
123F98.8Very high98.4Very high37 Ų3733.4 Ų33.416%0.16217%0.171CC..Hα-helixtrans-67.4-24.9179.8-61.5-61.1000113.4H43 A74 G75 V76 R92 L117 G126 A127H43-F123 HydrophobicContact CB-CB 3.64Å; H43-F123 HydrophobicContact CB-CD2 3.83Å; H43-F123 HydrophobicContact CB-CG 3.81Å; H43-F123 AromaticContact CG-CD2 3.6Å; H43-F123 AromaticContact ND1-CD2 3.68Å; H43-F123 AromaticContact ND1-CE2 3.99Å; A74-F123 HydrophobicContact CB-CB 4.33Å; A74-F123 HydrophobicContact CB-CD1 4.4Å; A74-F123 VanDerWaalsContact CB-O 3.26Å; A74-F123 WeakPolarHBondContact CB-O 3.46Å; G75-F123 VanDerWaalsContact O-CE1 3.28Å; G75-F123 WeakPolarHBondContact O-CE1 3.2Å; V76-F123 HydrophobicContact CG2-CE1 4.19Å; V76-F123 HydrophobicContact CG2-CE2 4.38Å; V76-F123 HydrophobicContact CG2-CZ 3.61Å; R92-F123 HydrophobicContact CB-CE1 3.98Å; R92-F123 HydrophobicContact CB-CZ 4.39Å; R92-F123 HydrophobicContact CG-CE1 4.05Å; R92-F123 HydrophobicContact CG-CZ 3.95Å; L117-F123 HydrophobicContact CD2-CD1 3.62Å; L117-F123 HydrophobicContact CD2-CE1 4.06Å; F123-G126 PolarHBondContact O-N 3.07Å; F123-A127 PolarHBondContact O-N 3.14Å
124R98.8Very high98.5Very high100 Ų10032.8 Ų32.838%0.37717%0.167SC..Hα-helixtrans-66.2-47175.6-62.4176.9169.176.25.4109.4D122 G126 A127 A128 I299 E302 I326D122-R124 VanDerWaalsContact C-N 3.26Å; D122-R124 PolarHBondContact O-N 3.01Å; D122-R124 WeakPolarHBondContact OD1-CA 3.47Å; D122-R124 VanDerWaalsContact OD1-CB 3.27Å; D122-R124 WeakPolarHBondContact OD1-CB 3.17Å; D122-R124 PolarHBondContact OD1-N 2.84Å; R124-G126 VanDerWaalsContact C-N 3.33Å; R124-A127 PolarHBondContact O-N 2.86Å; R124-A128 PolarHBondContact O-N 3.31Å; R124-I299 HydrophobicContact CB-CD1 4.35Å; R124-I299 HydrophobicContact CB-CG1 4.03Å; R124-I299 WeakPolarHBondContact O-CD1 3.19Å; R124-E302 WeakPolarHBondContact CD-OE2 3.26Å; R124-E302 IonicContact CZ-OE2 3.8Å; R124-E302 IonicContact NE-OE1 3.42Å; R124-E302 IonicContact NE-OE2 3.16Å; R124-E302 PolarHBondContact NE-OE2 2.99Å; R124-E302 IonicContact NH2-OE2 3.87Å; R124-I326 HydrophobicContact CB-CD1 3.59Å; R124-I326 HydrophobicContact CG-CD1 3.73Å
125Q98.8Very high98.5Very high47 Ų4733.1 Ų33.122%0.2217%0.17CC..Hα-helixtrans-62.3-40.4173.3-65.2-178.8-63.600111.5L121 D122 A127 A128 P297 I299L121-Q125 HydrophobicContact CB-CB 4.32Å; L121-Q125 HydrophobicContact CD2-CB 4.49Å; D122-Q125 PolarHBondContact O-N 3.07Å; D122-Q125 WeakPolarHBondContact OD1-CG 3.37Å; D122-Q125 PolarHBondContact OD1-N 3.06Å; Q125-A127 VanDerWaalsContact C-N 3.31Å; Q125-A127 PolarHBondContact O-N 3.44Å; Q125-A128 WeakPolarHBondContact O-CB 3.27Å; Q125-A128 PolarHBondContact O-N 2.9Å; Q125-P297 HydrophobicContact CB-CB 4.1Å; Q125-P297 HydrophobicContact CB-CG 4.23Å; Q125-P297 PolarHBondContact NE2-O 3.32Å; Q125-P297 WeakPolarHBondContact O-CB 3.25Å; Q125-P297 WeakPolarHBondContact O-CG 3.44Å; Q125-I299 HydrophobicContact CG-CG1 4.5Å
126G98.8Very high98.5Very high1 Ų132.1 Ų32.11%0.0117%0.165CC..Hα-helixtrans-55.4-44.3173.300000113.1A74 F94 D122 F123 R124 A128 L129A74-G126 VanDerWaalsContact CB-C 3.46Å; F94-G126 WeakPolarHBondContact CB-O 3.3Å; D122-G126 PolarHBondContact O-N 3.14Å; F123-G126 PolarHBondContact O-N 3.07Å; R124-G126 VanDerWaalsContact C-N 3.33Å; G126-A128 PolarHBondContact O-N 3.09Å; G126-A128 VanDerWaalsContact O-N 3.1Å; G126-L129 WeakPolarHBondContact O-CB 3.49Å; G126-L129 PolarHBondContact O-N 3.45Å; G126-L129 VanDerWaalsContact O-N 3.08Å
127A98.8Very high98.5Very high0 Ų028.3 Ų28.30%014%0.142CC..THydrogen-bonded Turntrans-68-7.517800000113.8A44 G46 A74 F123 R124 Q125 I326A44-A127 HydrophobicContact CB-CB 3.6Å; G46-A127 VanDerWaalsContact CA-O 3.25Å; G46-A127 WeakPolarHBondContact CA-O 3.38Å; G46-A127 PolarHBondContact N-O 3.03Å; A74-A127 HydrophobicContact CB-CB 4.24Å; A74-A127 VanDerWaalsContact CB-N 3.34Å; F123-A127 PolarHBondContact O-N 3.14Å; R124-A127 PolarHBondContact O-N 2.86Å; Q125-A127 VanDerWaalsContact C-N 3.31Å; Q125-A127 PolarHBondContact O-N 3.44Å; A127-I326 HydrophobicContact CB-CG2 4.33Å
128A98.7Very high98.5Very high2 Ų229 Ų292%0.01714%0.144CC..THydrogen-bonded Turntrans-98.9-4.3174.800000113.9R124 Q125 G126 P132 Y133 P297 I299 K324R124-A128 PolarHBondContact O-N 3.31Å; Q125-A128 WeakPolarHBondContact O-CB 3.27Å; Q125-A128 PolarHBondContact O-N 2.9Å; G126-A128 PolarHBondContact O-N 3.09Å; G126-A128 VanDerWaalsContact O-N 3.1Å; A128-P132 WeakPolarHBondContact O-CG 3.4Å; A128-Y133 WeakPolarHBondContact O-CD2 3.37Å; A128-P297 HydrophobicContact CB-CB 3.65Å; A128-I299 HydrophobicContact CB-CD1 3.79Å; A128-K324 HydrophobicContact CB-CB 3.68Å; A128-K324 HydrophobicContact CB-CG 3.6Å
129L98.6Very high98.6Very high0 Ų027.4 Ų27.40%014%0.135CC..THydrogen-bonded Turntrans-80.3-49.7-176.7-70.1167.4000113.1F94 L117 L121 G126 Y133 M290 V295 P297F94-L129 HydrophobicContact CD1-CD1 3.67Å; F94-L129 HydrophobicContact CD2-CB 3.52Å; F94-L129 HydrophobicContact CD2-CD1 4.03Å; F94-L129 HydrophobicContact CD2-CG 4.43Å; F94-L129 HydrophobicContact CE1-CD1 3.66Å; F94-L129 HydrophobicContact CE2-CB 3.46Å; F94-L129 VanDerWaalsContact CE2-CB 3.46Å; F94-L129 HydrophobicContact CE2-CD1 4.03Å; F94-L129 HydrophobicContact CE2-CG 4.37Å; F94-L129 HydrophobicContact CG-CB 4.15Å; F94-L129 HydrophobicContact CG-CD1 3.84Å; F94-L129 HydrophobicContact CZ-CB 4.05Å; F94-L129 HydrophobicContact CZ-CD1 3.85Å; L117-L129 HydrophobicContact CD1-CD1 3.85Å; L121-L129 HydrophobicContact CD1-CD1 4.37Å; G126-L129 WeakPolarHBondContact O-CB 3.49Å; G126-L129 PolarHBondContact O-N 3.45Å; G126-L129 VanDerWaalsContact O-N 3.08Å; L129-Y133 HydrophobicContact CD2-CD2 4Å; L129-Y133 HydrophobicContact CD2-CE2 4.16Å; L129-Y133 HydrophobicContact CD2-CG 4.25Å; L129-Y133 VanDerWaalsContact O-CB 3.28Å; L129-Y133 WeakPolarHBondContact O-CB 3.47Å; L129-Y133 PolarHBondContact O-N 3.24Å; L129-M290 HydrophobicContact CD1-SD 3.59Å; L129-M290 VanDerWaalsContact CD1-SD 3.59Å; L129-M290 HydrophobicContact CD2-SD 4.2Å; L129-V295 HydrophobicContact CD2-CG1 3.49Å; L129-V295 VanDerWaalsContact CD2-CG1 3.49Å; L129-P297 HydrophobicContact CD2-CG 3.44Å; L129-P297 VanDerWaalsContact CD2-CG 3.44Å; L129-P297 HydrophobicContact CG-CG 3.84Å
130G98.2Very high98.6Very high0 Ų020.2 Ų20.20%010%0.101CC..Hα-helixtrans-41.3-100.8-16900000116.6C95 P132 F134C95-G130 VanDerWaalsContact O-CA 3.32Å; C95-G130 WeakPolarHBondContact O-CA 3.45Å; G130-P132 VanDerWaalsContact C-CD 3.48Å; G130-F134 WeakPolarHBondContact O-CB 3.25Å; G130-F134 WeakPolarHBondContact O-CD2 3.36Å; G130-F134 PolarHBondContact O-N 3.47Å
131I98.3Very high98.7Very high15 Ų1517 Ų178%0.0778%0.078CC..Hα-helixtrans-55.2-45.2178.4-63.9-52.7000112.6T71 D72 T135 L271 F272T71-I131 WeakPolarHBondContact OG1-CG1 3.44Å; D72-I131 VanDerWaalsContact CG-N 3.29Å; D72-I131 WeakPolarHBondContact OD1-CG1 3.43Å; D72-I131 PolarHBondContact OD1-N 3.27Å; D72-I131 WeakPolarHBondContact OD2-CB 3.38Å; D72-I131 PolarHBondContact OD2-N 3.13Å; I131-T135 WeakPolarHBondContact O-CB 3.36Å; I131-T135 PolarHBondContact O-N 3.02Å; I131-T135 PolarHBondContact O-OG1 2.83Å; I131-L271 HydrophobicContact CD1-CD2 3.68Å; I131-F272 HydrophobicContact CD1-CE1 4.3Å; I131-F272 HydrophobicContact CD1-CE2 4.1Å; I131-F272 HydrophobicContact CD1-CZ 3.6Å
132P98.6Very high98.7Very high1 Ų119.9 Ų19.91%0.0069%0.091CC..Hα-helixtrans-60.6-52.1-171.7-27.136.9000114.8D72 A128 G130 A136 V161 K324D72-P132 WeakPolarHBondContact OD2-CD 3.39Å; A128-P132 WeakPolarHBondContact O-CG 3.4Å; G130-P132 VanDerWaalsContact C-CD 3.48Å; P132-A136 WeakPolarHBondContact O-CB 3.07Å; P132-A136 PolarHBondContact O-N 3.47Å; P132-A136 VanDerWaalsContact O-N 3.12Å; P132-V161 HydrophobicContact CB-CG2 4.47Å; P132-K324 HydrophobicContact CG-CD 3.98Å
133Y98.9Very high98.7Very high5 Ų517.4 Ų17.42%0.028%0.078CC..Hα-helixtrans-78.2-37.3-174.8-76.4-102.1000112.1A128 L129 T135 A136 C137 A164 Q167 I168 L286 V295 P297A128-Y133 WeakPolarHBondContact O-CD2 3.37Å; L129-Y133 HydrophobicContact CD2-CD2 4Å; L129-Y133 HydrophobicContact CD2-CE2 4.16Å; L129-Y133 HydrophobicContact CD2-CG 4.25Å; L129-Y133 VanDerWaalsContact O-CB 3.28Å; L129-Y133 WeakPolarHBondContact O-CB 3.47Å; L129-Y133 PolarHBondContact O-N 3.24Å; Y133-T135 VanDerWaalsContact C-N 3.32Å; Y133-T135 PolarHBondContact O-N 3.01Å; Y133-A136 PolarHBondContact O-N 2.83Å; Y133-C137 PolarHBondContact O-N 3.36Å; Y133-C137 PolarHBondContact O-SG 2.71Å; Y133-A164 HydrophobicContact CD1-CB 3.7Å; Y133-A164 HydrophobicContact CD2-CB 3.75Å; Y133-A164 HydrophobicContact CE1-CB 3.78Å; Y133-A164 HydrophobicContact CE2-CB 3.85Å; Y133-A164 HydrophobicContact CG-CB 3.68Å; Y133-Q167 PolarHBondContact OH-OE1 2.83Å; Y133-I168 HydrophobicContact CD1-CD1 4.13Å; Y133-I168 HydrophobicContact CD1-CG1 4.49Å; Y133-L286 HydrophobicContact CD1-CD2 3.82Å; Y133-L286 HydrophobicContact CG-CD2 4.21Å; Y133-V295 HydrophobicContact CD1-CG1 4.06Å; Y133-V295 HydrophobicContact CD1-CG2 4.37Å; Y133-V295 HydrophobicContact CE1-CB 4.35Å; Y133-V295 HydrophobicContact CE1-CG1 3.69Å; Y133-V295 HydrophobicContact CE1-CG2 4.26Å; Y133-P297 HydrophobicContact CE2-CB 4.04Å; Y133-P297 HydrophobicContact CE2-CG 3.89Å; Y133-P297 VanDerWaalsContact OH-CA 3.25Å; Y133-P297 WeakPolarHBondContact OH-CA 3.37Å
134F98.8Very high98.7Very high0 Ų015.8 Ų15.80%07%0.071CC..Hα-helixtrans-66.1-36.9175.7-78.5-103.3000111.8F94 Y115 G130 C137 R138 L271 F279 F282 A283 L286F94-F134 HydrophobicContact CE2-CE2 4.04Å; F94-F134 HydrophobicContact CZ-CE2 4.5Å; Y115-F134 HydrophobicContact CD1-CZ 4.37Å; Y115-F134 HydrophobicContact CD2-CE2 4.33Å; Y115-F134 HydrophobicContact CD2-CZ 4.05Å; Y115-F134 HydrophobicContact CE1-CE1 4.29Å; Y115-F134 AromaticContact CE1-CZ 3.86Å; Y115-F134 HydrophobicContact CE1-CZ 3.86Å; Y115-F134 HydrophobicContact CE2-CE1 4.25Å; Y115-F134 AromaticContact CE2-CE2 3.95Å; Y115-F134 HydrophobicContact CE2-CE2 3.95Å; Y115-F134 AromaticContact CE2-CZ 3.5Å; Y115-F134 HydrophobicContact CE2-CZ 3.5Å; Y115-F134 VanDerWaalsContact CE2-CZ 3.5Å; Y115-F134 HydrophobicContact CG-CZ 4.45Å; Y115-F134 AromaticContact CZ-CE1 3.78Å; Y115-F134 AromaticContact CZ-CZ 3.38Å; Y115-F134 WeakPolarHBondContact OH-CE1 3.38Å; G130-F134 WeakPolarHBondContact O-CB 3.25Å; G130-F134 WeakPolarHBondContact O-CD2 3.36Å; G130-F134 PolarHBondContact O-N 3.47Å; F134-C137 PolarHBondContact O-N 2.92Å; F134-R138 PolarHBondContact O-N 3.42Å; F134-L271 HydrophobicContact CB-CD1 3.71Å; F134-L271 HydrophobicContact CB-CD2 3.64Å; F134-L271 HydrophobicContact CB-CG 4.35Å; F134-F279 AromaticContact CD1-CD1 3.57Å; F134-F279 HydrophobicContact CD1-CD1 3.57Å; F134-F279 AromaticContact CD1-CE1 3.87Å; F134-F279 HydrophobicContact CD1-CE1 3.87Å; F134-F279 AromaticContact CE1-CD1 3.78Å; F134-F279 HydrophobicContact CE1-CD1 3.78Å; F134-F279 HydrophobicContact CE1-CE1 4.43Å; F134-F279 HydrophobicContact CG-CE1 4.47Å; F134-F282 HydrophobicContact CD1-CB 3.76Å; F134-F282 HydrophobicContact CD1-CD2 4.42Å; F134-F282 HydrophobicContact CE1-CB 4.02Å; F134-A283 HydrophobicContact CE1-CB 4.04Å; F134-A283 HydrophobicContact CZ-CB 3.9Å; F134-L286 HydrophobicContact CD2-CD1 3.51Å; F134-L286 HydrophobicContact CE2-CD1 3.48Å; F134-L286 VanDerWaalsContact CE2-CD1 3.48Å; F134-L286 HydrophobicContact CG-CD1 4.11Å; F134-L286 HydrophobicContact CZ-CD1 4.05Å
135T98.8Very high98.7Very high13 Ų1319.8 Ų19.88%0.089%0.087CC..Hα-helixtrans-64.8-43.3174.2-60.10000110.9I131 Y133 R138 A139 V161 V246I131-T135 WeakPolarHBondContact O-CB 3.36Å; I131-T135 PolarHBondContact O-N 3.02Å; I131-T135 PolarHBondContact O-OG1 2.83Å; Y133-T135 VanDerWaalsContact C-N 3.32Å; Y133-T135 PolarHBondContact O-N 3.01Å; T135-R138 PolarHBondContact O-N 2.75Å; T135-A139 VanDerWaalsContact O-CB 3.29Å; T135-A139 WeakPolarHBondContact O-CB 3.11Å; T135-A139 PolarHBondContact O-N 3.03Å; T135-V161 HydrophobicContact CG2-CG1 4.06Å; T135-V246 HydrophobicContact CG2-CG1 3.66Å
136A98.8Very high98.7Very high0 Ų018.3 Ų18.30%08%0.081CC..Hα-helixtrans-63-43176.500000112.1P132 Y133 A139 L140 V161 A164 T165 I168P132-A136 WeakPolarHBondContact O-CB 3.07Å; P132-A136 PolarHBondContact O-N 3.47Å; P132-A136 VanDerWaalsContact O-N 3.12Å; Y133-A136 PolarHBondContact O-N 2.83Å; A136-A139 PolarHBondContact O-N 3.02Å; A136-L140 WeakPolarHBondContact O-CB 3.43Å; A136-L140 WeakPolarHBondContact O-CG 3.41Å; A136-L140 PolarHBondContact O-N 3Å; A136-V161 HydrophobicContact CB-CG1 4.44Å; A136-A164 HydrophobicContact CB-CB 3.99Å; A136-T165 WeakPolarHBondContact CB-OG1 3.35Å; A136-I168 HydrophobicContact CB-CD1 3.61Å
137C98.8Very high98.7Very high0 Ų024.2 Ų24.20%011%0.108CC..Hα-helixtrans-58.1-48.6172.6-77.30000111.7Y133 F134 L140 F141 F282Y133-C137 PolarHBondContact O-N 3.36Å; Y133-C137 PolarHBondContact O-SG 2.71Å; F134-C137 PolarHBondContact O-N 2.92Å; C137-L140 PolarHBondContact O-N 2.72Å; C137-F141 HydrophobicContact CB-CD2 4.11Å; C137-F141 HydrophobicContact CB-CE2 4.42Å; C137-F141 WeakPolarHBondContact O-CB 3.42Å; C137-F141 VanDerWaalsContact O-CD2 3.29Å; C137-F141 WeakPolarHBondContact O-CD2 3.44Å; C137-F141 PolarHBondContact O-N 3.34Å; C137-F282 HydrophobicContact CB-CB 3.96Å; C137-F282 HydrophobicContact CB-CD1 3.76Å; C137-F282 HydrophobicContact CB-CE1 4.44Å; C137-F282 HydrophobicContact CB-CG 3.82Å
138R98.8Very high98.6Very high17 Ų1728 Ų286%0.06414%0.139CC..Iπ-helixtrans-62.7-45.3178.5-170.1-179.8-178.670.68.7111.6F134 T135 L140 H142 S143 V269 S270 S274 E278 F282F134-R138 PolarHBondContact O-N 3.42Å; T135-R138 PolarHBondContact O-N 2.75Å; R138-L140 PolarHBondContact O-N 2.81Å; R138-H142 HydrophobicContact CG-CB 4.01Å; R138-H142 PolarHBondContact NH2-NE2 2.96Å; R138-H142 VanDerWaalsContact NH2-NE2 3.19Å; R138-H142 WeakPolarHBondContact O-CA 3Å; R138-H142 WeakPolarHBondContact O-CB 3.45Å; R138-H142 PolarHBondContact O-N 3.04Å; R138-S143 PolarHBondContact O-N 2.94Å; R138-V269 HydrophobicContact CB-CG2 4.19Å; R138-V269 HydrophobicContact CG-CG2 3.67Å; R138-S270 WeakPolarHBondContact CD-O 3.39Å; R138-S270 PolarHBondContact NE-O 3.39Å; R138-S270 VanDerWaalsContact NE-O 3.1Å; R138-S274 WeakPolarHBondContact CD-OG 3.24Å; R138-S274 VanDerWaalsContact NH1-CA 3.35Å; R138-S274 PolarHBondContact NH1-OG 3.1Å; R138-E278 IonicContact CZ-OE2 3.72Å; R138-E278 IonicContact NH1-OE1 3.89Å; R138-E278 IonicContact NH1-OE2 2.77Å; R138-E278 PolarHBondContact NH1-OE2 2.87Å; R138-E278 IonicContact NH2-OE2 3.09Å; R138-F282 HydrophobicContact CB-CE2 3.78Å; R138-F282 HydrophobicContact CB-CZ 3.94Å; R138-F282 HydrophobicContact CG-CE2 4.09Å; R138-F282 HydrophobicContact CG-CZ 4.11Å
139A98.9Very high98.6Very high0 Ų030.7 Ų30.70%017%0.167CC..Iπ-helixtrans-60-45.8179.600000111.6T135 A136 A144 V222 I244 V246 V269T135-A139 VanDerWaalsContact O-CB 3.29Å; T135-A139 WeakPolarHBondContact O-CB 3.11Å; T135-A139 PolarHBondContact O-N 3.03Å; A136-A139 PolarHBondContact O-N 3.02Å; A139-A144 VanDerWaalsContact O-CB 3.24Å; A139-A144 WeakPolarHBondContact O-CB 3.49Å; A139-A144 PolarHBondContact O-N 2.91Å; A139-V222 HydrophobicContact CB-CG1 4.42Å; A139-I244 HydrophobicContact CB-CG2 3.94Å; A139-V246 HydrophobicContact CB-CG2 4.23Å; A139-V269 HydrophobicContact CB-CG1 4.34Å
140L98.9Very high98.6Very high0 Ų032.2 Ų32.20%018%0.175CC..Iπ-helixtrans-76.2-51.3-178.2-68.7170.2000112.6A136 C137 R138 A144 R145 V146 V152 T165 I168 A169 L174 V222A136-L140 WeakPolarHBondContact O-CB 3.43Å; A136-L140 WeakPolarHBondContact O-CG 3.41Å; A136-L140 PolarHBondContact O-N 3Å; C137-L140 PolarHBondContact O-N 2.72Å; R138-L140 PolarHBondContact O-N 2.81Å; L140-A144 CarbonylContact O-C 3.56Å; L140-A144 WeakPolarHBondContact O-CB 3.45Å; L140-R145 PolarHBondContact O-N 2.75Å; L140-V146 HydrophobicContact CB-CG1 4.4Å; L140-V146 HydrophobicContact CB-CG2 4.07Å; L140-V146 HydrophobicContact CD2-CG1 3.96Å; L140-V146 WeakPolarHBondContact O-CG1 3.41Å; L140-V146 PolarHBondContact O-N 3.41Å; L140-V152 HydrophobicContact CD2-CG2 4.43Å; L140-T165 HydrophobicContact CD1-CG2 4.04Å; L140-T165 HydrophobicContact CD2-CG2 4.13Å; L140-T165 HydrophobicContact CG-CG2 4.22Å; L140-I168 HydrophobicContact CD1-CB 3.87Å; L140-I168 HydrophobicContact CD1-CG2 3.56Å; L140-A169 HydrophobicContact CD1-CB 4.29Å; L140-L174 HydrophobicContact CD2-CD2 4.42Å; L140-V222 HydrophobicContact CD2-CG2 4.21Å
141F98.7Very high98.6Very high44 Ų4432.8 Ų32.819%0.19318%0.178CC..Iπ-helixtrans-92.2-36.1-167.8-56.8-54.4000113.9C137 R145 V146 I168 H172 I285C137-F141 HydrophobicContact CB-CD2 4.11Å; C137-F141 HydrophobicContact CB-CE2 4.42Å; C137-F141 WeakPolarHBondContact O-CB 3.42Å; C137-F141 VanDerWaalsContact O-CD2 3.29Å; C137-F141 WeakPolarHBondContact O-CD2 3.44Å; C137-F141 PolarHBondContact O-N 3.34Å; F141-R145 WeakPolarHBondContact O-CA 3.15Å; F141-V146 HydrophobicContact CD1-CG2 3.83Å; F141-V146 HydrophobicContact CE1-CG2 3.87Å; F141-I168 HydrophobicContact CE2-CG2 3.59Å; F141-I168 HydrophobicContact CZ-CG2 3.47Å; F141-I168 VanDerWaalsContact CZ-CG2 3.47Å; F141-H172 AromaticContact CE1-CD2 3.76Å; F141-H172 AromaticContact CZ-CD2 3.6Å; F141-H172 AromaticContact CZ-CE1 3.67Å; F141-H172 AromaticContact CZ-CG 3.77Å; F141-H172 AromaticContact CZ-ND1 3.8Å; F141-H172 AromaticContact CZ-NE2 3.54Å; F141-I285 HydrophobicContact CD2-CD1 3.84Å; F141-I285 HydrophobicContact CE2-CD1 3.96Å; F141-I285 HydrophobicContact CE2-CG2 4.14Å
142H98.6Very high98.7Very high71 Ų7132 Ų3233%0.32918%0.175SC..Iπ-helixtrans-89.5-55.4179.3173.199000111.5R138 R145 E278 F282R138-H142 HydrophobicContact CG-CB 4.01Å; R138-H142 PolarHBondContact NH2-NE2 2.96Å; R138-H142 VanDerWaalsContact NH2-NE2 3.19Å; R138-H142 WeakPolarHBondContact O-CA 3Å; R138-H142 WeakPolarHBondContact O-CB 3.45Å; R138-H142 PolarHBondContact O-N 3.04Å; H142-R145 WeakPolarHBondContact O-CG 3.15Å; H142-E278 IonicContact CE1-OE1 3.57Å; H142-E278 PolarHBondContact CE1-OE1 2.99Å; H142-E278 IonicContact CG-OE1 3.39Å; H142-E278 IonicContact ND1-OE1 3.5Å; H142-E278 PolarHBondContact ND1-OE1 2.88Å; H142-F282 HydrophobicContact CB-CZ 4.19Å
143S98.6Very high98.7Very high13 Ų1332 Ų329%0.09117%0.174CC..Iπ-helixtrans-77.8-50.2-173.4-61.40000112.2R138 V269R138-S143 PolarHBondContact O-N 2.94Å; S143-V269 WeakPolarHBondContact OG-CG2 3.33Å
144A98.7Very high98.7Very high2 Ų231.8 Ų31.82%0.01717%0.173CC..SBendtrans-83.2-27177.200000113.1A139 L140 V146 V220 R242 I244A139-A144 VanDerWaalsContact O-CB 3.24Å; A139-A144 WeakPolarHBondContact O-CB 3.49Å; A139-A144 PolarHBondContact O-N 2.91Å; L140-A144 CarbonylContact O-C 3.56Å; L140-A144 WeakPolarHBondContact O-CB 3.45Å; A144-V146 VanDerWaalsContact C-N 3.27Å; A144-V146 HydrophobicContact CB-CG1 3.8Å; A144-V146 PolarHBondContact O-N 2.9Å; A144-V220 HydrophobicContact CB-CG1 3.74Å; A144-V220 HydrophobicContact CB-CG2 4.15Å; A144-R242 HydrophobicContact CB-CG 4.47Å; A144-R242 PolarHBondContact O-NE 3.28Å; A144-R242 PolarHBondContact O-NH2 3.13Å; A144-I244 HydrophobicContact CB-CD1 3.91Å; A144-I244 HydrophobicContact CB-CG1 3.81Å
145R98.6Very high98.6Very high185 Ų18532 Ų3270%0.69817%0.174SC*.  trans53.445.2-175.1-53.1-179.6179.3-176.7-2112.7L140 F141 H142 Q147L140-R145 PolarHBondContact O-N 2.75Å; F141-R145 WeakPolarHBondContact O-CA 3.15Å; H142-R145 WeakPolarHBondContact O-CG 3.15Å; R145-Q147 PolarHBondContact O-NE2 3.31Å; R145-Q147 VanDerWaalsContact O-NE2 3.15Å
146V98.6Very high98.5Very high15 Ų1532.5 Ų32.59%0.09118%0.183CC..  trans-55.6144.3-173.6-65.50000113L140 F141 A144 E150 L174 V220L140-V146 HydrophobicContact CB-CG1 4.4Å; L140-V146 HydrophobicContact CB-CG2 4.07Å; L140-V146 HydrophobicContact CD2-CG1 3.96Å; L140-V146 WeakPolarHBondContact O-CG1 3.41Å; L140-V146 PolarHBondContact O-N 3.41Å; F141-V146 HydrophobicContact CD1-CG2 3.83Å; F141-V146 HydrophobicContact CE1-CG2 3.87Å; A144-V146 VanDerWaalsContact C-N 3.27Å; A144-V146 HydrophobicContact CB-CG1 3.8Å; A144-V146 PolarHBondContact O-N 2.9Å; V146-E150 VanDerWaalsContact CA-OE2 3.27Å; V146-E150 WeakPolarHBondContact CA-OE2 3.22Å; V146-L174 HydrophobicContact CB-CD1 4.48Å; V146-L174 HydrophobicContact CB-CD2 3.95Å; V146-L174 HydrophobicContact CG1-CD2 3.87Å; V146-L174 HydrophobicContact CG2-CD1 4.29Å; V146-L174 HydrophobicContact CG2-CD2 4.28Å; V146-V220 HydrophobicContact CG1-CG2 4.07Å
147Q98.4Very high98.5Very high125 Ų12532.5 Ų32.558%0.58418%0.183SC*.  trans-112.4149170.8-56.8-57-53.200110R145 G149 E150R145-Q147 PolarHBondContact O-NE2 3.31Å; R145-Q147 VanDerWaalsContact O-NE2 3.15Å; Q147-G149 PolarHBondContact O-N 2.89Å; Q147-E150 HydrophobicContact CB-CG 4.23Å; Q147-E150 PolarHBondContact N-OE2 3.35Å; Q147-E150 WeakPolarHBondContact O-CB 3.35Å; Q147-E150 PolarHBondContact O-N 2.78Å; Q147-E150 VanDerWaalsContact O-N 3.16Å
148A98.4Very high98.5Very high79 Ų7932.8 Ų32.865%0.65319%0.185SC*.THydrogen-bonded Turntrans-58.1140.1173.500000110.3E150A148-E150 VanDerWaalsContact C-N 3.32Å
149G97.9Very high98.4Very high59 Ų5932.7 Ų32.761%0.60819%0.189SC*.THydrogen-bonded Turntrans87.2-12.9-174.900000115.1Q147 G173Q147-G149 PolarHBondContact O-N 2.89Å; G149-G173 PolarHBondContact N-O 2.96Å
150E98.6Very high98.4Very high33 Ų3333.7 Ų33.715%0.15420%0.199CC..  trans-67.5152.5170-71.4-169.211800111.6V146 Q147 A148 L174 K175 D219 R242V146-E150 VanDerWaalsContact CA-OE2 3.27Å; V146-E150 WeakPolarHBondContact CA-OE2 3.22Å; Q147-E150 HydrophobicContact CB-CG 4.23Å; Q147-E150 PolarHBondContact N-OE2 3.35Å; Q147-E150 WeakPolarHBondContact O-CB 3.35Å; Q147-E150 PolarHBondContact O-N 2.78Å; Q147-E150 VanDerWaalsContact O-N 3.16Å; A148-E150 VanDerWaalsContact C-N 3.32Å; E150-L174 CarbonylContact O-C 3.08Å; E150-L174 WeakPolarHBondContact O-CA 3.38Å; E150-L174 WeakPolarHBondContact O-CB 3.36Å; E150-K175 PolarHBondContact O-N 2.88Å; E150-D219 HydrophobicContact CB-CB 4.04Å; E150-D219 HydrophobicContact CG-CB 4.2Å; E150-R242 IonicContact OE1-CZ 3.68Å; E150-R242 IonicContact OE1-NH1 3.85Å; E150-R242 PolarHBondContact OE1-NH1 3.34Å; E150-R242 IonicContact OE1-NH2 2.76Å; E150-R242 PolarHBondContact OE1-NH2 3Å; E150-R242 VanDerWaalsContact OE1-NH2 3.16Å; E150-R242 IonicContact OE2-CZ 3.75Å; E150-R242 IonicContact OE2-NH1 3.87Å; E150-R242 IonicContact OE2-NH2 3.88Å; E150-R242 PolarHBondContact OE2-NH2 3.38Å
151S98.8Very high98.4Very high11 Ų1135.1 Ų35.18%0.07721%0.208CC..EExtended strand (participates in β ladder)trans-93.1139.8172.956.70000111.3K175 V218 D219 V220S151-K175 CarbonylContact C-O 3.29Å; S151-K175 VanDerWaalsContact CA-O 3.31Å; S151-K175 WeakPolarHBondContact CA-O 3.39Å; S151-V218 WeakPolarHBondContact OG-CA 3.5Å; S151-D219 PolarHBondContact N-OD2 3.25Å; S151-D219 PolarHBondContact O-N 3.39Å; S151-D219 PolarHBondContact OG-N 3.45Å; S151-D219 PolarHBondContact OG-OD2 2.85Å; S151-V220 PolarHBondContact O-N 3.16Å
152V98.9Very high98.4Very high0 Ų033 Ų330%020%0.199CC..EExtended strand (participates in β ladder)trans-130.1128.5175.761.90000111.4L140 V154 A169 L174 K175 V176 L177 V220 V222L140-V152 HydrophobicContact CD2-CG2 4.43Å; V152-V154 HydrophobicContact CG2-CG2 4.26Å; V152-A169 HydrophobicContact CG1-CB 3.77Å; V152-L174 HydrophobicContact CB-CD2 4.01Å; V152-L174 HydrophobicContact CG1-CB 4.08Å; V152-L174 HydrophobicContact CG1-CD2 3.74Å; V152-K175 PolarHBondContact N-O 3.38Å; V152-V176 HydrophobicContact CG1-CB 4.3Å; V152-V176 HydrophobicContact CG1-CG1 4.38Å; V152-V176 HydrophobicContact CG1-CG2 3.96Å; V152-V176 CarbonylContact O-C 3.59Å; V152-L177 PolarHBondContact O-N 3.47Å; V152-V220 CarbonylContact C-O 3.58Å; V152-V220 WeakPolarHBondContact CA-O 3.47Å; V152-V220 HydrophobicContact CB-CB 4.34Å; V152-V220 HydrophobicContact CG2-CB 4.14Å; V152-V220 HydrophobicContact CG2-CG1 4.16Å; V152-V222 HydrophobicContact CG2-CG2 3.92Å
153L98.9Very high98.4Very high0 Ų029.9 Ų29.90%018%0.184CC..EExtended strand (participates in β ladder)trans-97.1118166.9174.564.1000108.8L177 T179 I209 V218 V220 V221 V222 L236L153-L177 WeakPolarHBondContact CA-O 3.35Å; L153-L177 HydrophobicContact CD1-CB 3.93Å; L153-T179 HydrophobicContact CD1-CG2 4.02Å; L153-I209 HydrophobicContact CD1-CD1 4.28Å; L153-I209 HydrophobicContact CD2-CD1 4.19Å; L153-V218 HydrophobicContact CB-CG1 3.98Å; L153-V218 HydrophobicContact CB-CG2 4.4Å; L153-V220 PolarHBondContact N-O 3.12Å; L153-V221 HydrophobicContact CB-CG2 4.26Å; L153-V221 HydrophobicContact CD2-CG2 4.4Å; L153-V221 CarbonylContact O-C 3.6Å; L153-V221 WeakPolarHBondContact O-CA 3.23Å; L153-V222 PolarHBondContact O-N 2.96Å; L153-L236 HydrophobicContact CD2-CD1 3.74Å
154V98.9Very high98.4Very high0 Ų029.2 Ų29.20%018%0.18CC..EExtended strand (participates in β ladder)trans-95.4100.2173.3-171.80000108.5V152 G156 A157 T165 V176 L177 G178 T179V152-V154 HydrophobicContact CG2-CG2 4.26Å; V154-G156 PolarHBondContact O-N 3.17Å; V154-A157 HydrophobicContact CB-CB 3.97Å; V154-A157 HydrophobicContact CG1-CB 3.86Å; V154-A157 WeakPolarHBondContact O-CB 3.28Å; V154-T165 HydrophobicContact CG1-CG2 4.18Å; V154-T165 HydrophobicContact CG2-CG2 3.59Å; V154-V176 HydrophobicContact CG2-CG1 4.34Å; V154-L177 PolarHBondContact N-O 3.27Å; V154-G178 WeakPolarHBondContact O-CA 3.48Å; V154-T179 PolarHBondContact O-N 3.17Å; V154-T179 VanDerWaalsContact O-N 3.07Å
155H98Very high98.4Very high4 Ų429.1 Ų29.12%0.01918%0.179CC..EExtended strand (participates in β ladder)trans-81.4116.5-178.8-141.8140.5000109.9T179 Y205 V222 E223 M224 N229 D233H155-T179 PolarHBondContact CD2-OG1 2.89Å; H155-Y205 AromaticContact CE1-CE2 3.83Å; H155-Y205 AromaticContact CE1-CZ 3.93Å; H155-Y205 PolarHBondContact CE1-OH 3.47Å; H155-Y205 AromaticContact NE2-CE2 3.67Å; H155-Y205 AromaticContact NE2-CZ 3.8Å; H155-Y205 PolarHBondContact NE2-OH 3.38Å; H155-Y205 VanDerWaalsContact NE2-OH 3.17Å; H155-V222 PolarHBondContact N-O 3.32Å; H155-E223 WeakPolarHBondContact CB-OE2 3.35Å; H155-E223 IonicContact CG-OE2 2.75Å; H155-E223 IonicContact ND1-OE2 3.87Å; H155-E223 PolarHBondContact ND1-OE2 3.37Å; H155-E223 VanDerWaalsContact ND1-OE2 3.08Å; H155-M224 WeakPolarHBondContact O-CB 3.47Å; H155-M224 WeakPolarHBondContact O-CG 3.34Å; H155-N229 PolarHBondContact CD2-ND2 2.87Å; H155-N229 VanDerWaalsContact CD2-ND2 3.34Å; H155-N229 PolarHBondContact CE1-ND2 3.45Å; H155-N229 PolarHBondContact NE2-ND2 2.71Å; H155-D233 IonicContact CE1-OD1 3.15Å; H155-D233 IonicContact ND1-OD1 3.76Å; H155-D233 PolarHBondContact ND1-OD1 3.05Å
156G96.7Very high98.4Very high25 Ų2520.3 Ų20.326%0.25815%0.146SC..THydrogen-bonded Turntrans81.143.7-169.500000112.8V154 S158 T179V154-G156 PolarHBondContact O-N 3.17Å; G156-S158 VanDerWaalsContact C-N 3.31Å; G156-S158 PolarHBondContact O-N 2.86Å; G156-T179 PolarHBondContact N-OG1 3.45Å
157A98.4Very high98.4Very high0 Ų020.1 Ų20.10%014%0.144CC..THydrogen-bonded Turntrans-67.9-20.3-172.400000115V154 G159 G162 L163 T179 V189V154-A157 HydrophobicContact CB-CB 3.97Å; V154-A157 HydrophobicContact CG1-CB 3.86Å; V154-A157 WeakPolarHBondContact O-CB 3.28Å; A157-G159 VanDerWaalsContact C-N 3.33Å; A157-G159 PolarHBondContact O-N 2.89Å; A157-G162 CarbonylContact O-C 3.54Å; A157-G162 WeakPolarHBondContact O-CA 3.26Å; A157-L163 WeakPolarHBondContact O-CD2 3.32Å; A157-L163 WeakPolarHBondContact O-CG 3.15Å; A157-L163 PolarHBondContact O-N 3.28Å; A157-T179 PolarHBondContact N-O 2.76Å; A157-V189 HydrophobicContact CB-CB 4.3Å; A157-V189 HydrophobicContact CB-CG1 3.73Å; A157-V189 HydrophobicContact CB-CG2 3.5Å; A157-V189 VanDerWaalsContact CB-CG2 3.5Å
158S98.1Very high98.4Very high6 Ų614.2 Ų14.24%0.04212%0.116CC..THydrogen-bonded Turntrans-84.60.4-172.470.10000115.4G156 K321 T322 G323G156-S158 VanDerWaalsContact C-N 3.31Å; G156-S158 PolarHBondContact O-N 2.86Å; S158-K321 WeakPolarHBondContact CB-O 3.49Å; S158-K321 CarbonylContact O-C 3.53Å; S158-K321 PolarHBondContact OG-O 3.1Å; S158-T322 CarbonylContact O-C 3.55Å; S158-T322 PolarHBondContact O-N 3.32Å; S158-G323 PolarHBondContact O-N 3.2Å
159G97.3Very high98.5Very high15 Ų1510.5 Ų10.516%0.1559%0.085CC..BIsolated β-bridgetrans-91.9-178.3173.700000113.2A157 G162 L163A157-G159 VanDerWaalsContact C-N 3.33Å; A157-G159 PolarHBondContact O-N 2.89Å; G159-G162 PolarHBondContact O-N 2.93Å; G159-L163 WeakPolarHBondContact O-CG 3.37Å; G159-L163 PolarHBondContact O-N 3.39Å
160G97.9Very high98.5Very high21 Ų2113.5 Ų13.522%0.2168%0.079CC..Hα-helixtrans-55.6-56.2-177.500000114.3G162 A164G160-G162 VanDerWaalsContact C-N 3.3Å; G160-G162 PolarHBondContact O-N 3.41Å; G160-A164 WeakPolarHBondContact O-CB 3.16Å; G160-A164 PolarHBondContact O-N 2.76Å
161V98.5Very high98.5Very high29 Ų2914.1 Ų14.118%0.1769%0.089CC..Hα-helixtrans-65.8-36.9178.8-169.60000111P132 T135 A136 A164 T165 M224 V246P132-V161 HydrophobicContact CB-CG2 4.47Å; T135-V161 HydrophobicContact CG2-CG1 4.06Å; A136-V161 HydrophobicContact CB-CG1 4.44Å; V161-A164 PolarHBondContact O-N 3.3Å; V161-T165 WeakPolarHBondContact O-CB 3.24Å; V161-T165 PolarHBondContact O-N 3.21Å; V161-T165 PolarHBondContact O-OG1 2.88Å; V161-M224 HydrophobicContact CB-CE 3.74Å; V161-M224 HydrophobicContact CB-SD 3.99Å; V161-M224 HydrophobicContact CG1-CE 3.43Å; V161-M224 VanDerWaalsContact CG1-CE 3.43Å; V161-M224 HydrophobicContact CG1-SD 4.03Å; V161-V246 HydrophobicContact CG1-CG1 4.34Å
162G98.6Very high98.5Very high1 Ų116.8 Ų16.81%0.0110%0.1CC..Hα-helixtrans-60.6-52-18000000112.5A157 G159 G160 A164 T165 C166A157-G162 CarbonylContact O-C 3.54Å; A157-G162 WeakPolarHBondContact O-CA 3.26Å; G159-G162 PolarHBondContact O-N 2.93Å; G160-G162 VanDerWaalsContact C-N 3.3Å; G160-G162 PolarHBondContact O-N 3.41Å; G162-A164 VanDerWaalsContact C-N 3.35Å; G162-A164 PolarHBondContact O-N 2.95Å; G162-T165 WeakPolarHBondContact O-CB 3.44Å; G162-T165 PolarHBondContact O-N 3.2Å; G162-T165 VanDerWaalsContact O-N 3.17Å; G162-C166 PolarHBondContact O-N 3.07Å; G162-C166 PolarHBondContact O-SG 2.97Å; G162-C166 VanDerWaalsContact O-SG 3.38Å
163L98.8Very high98.5Very high4 Ų418.8 Ų18.82%0.02112%0.121CC..Hα-helixtrans-66.3-38.4179.2-64.8175.7000111.7A157 G159 T165 C166 Q167 L188 V189 N192 V298A157-L163 WeakPolarHBondContact O-CD2 3.32Å; A157-L163 WeakPolarHBondContact O-CG 3.15Å; A157-L163 PolarHBondContact O-N 3.28Å; G159-L163 WeakPolarHBondContact O-CG 3.37Å; G159-L163 PolarHBondContact O-N 3.39Å; L163-T165 VanDerWaalsContact C-N 3.31Å; L163-T165 PolarHBondContact O-N 2.86Å; L163-C166 PolarHBondContact O-N 3.21Å; L163-Q167 WeakPolarHBondContact O-CG 3.29Å; L163-Q167 PolarHBondContact O-N 3.36Å; L163-L188 HydrophobicContact CD1-CD2 3.52Å; L163-L188 HydrophobicContact CD1-CG 3.96Å; L163-L188 HydrophobicContact CD2-CD2 4.24Å; L163-L188 HydrophobicContact CD2-CG 3.97Å; L163-L188 HydrophobicContact CG-CD2 4.48Å; L163-V189 HydrophobicContact CD2-CG2 4.16Å; L163-N192 HydrophobicContact CD2-CB 3.93Å; L163-V298 HydrophobicContact CD1-CB 3.84Å; L163-V298 HydrophobicContact CD1-CG1 4.32Å; L163-V298 HydrophobicContact CD1-CG2 4.17Å
164A98.9Very high98.5Very high0 Ų019 Ų190%012%0.123CC..Hα-helixtrans-58.8-44.5172.800000111.3Y133 A136 G160 V161 G162 Q167 I168Y133-A164 HydrophobicContact CD1-CB 3.7Å; Y133-A164 HydrophobicContact CD2-CB 3.75Å; Y133-A164 HydrophobicContact CE1-CB 3.78Å; Y133-A164 HydrophobicContact CE2-CB 3.85Å; Y133-A164 HydrophobicContact CG-CB 3.68Å; A136-A164 HydrophobicContact CB-CB 3.99Å; G160-A164 WeakPolarHBondContact O-CB 3.16Å; G160-A164 PolarHBondContact O-N 2.76Å; V161-A164 PolarHBondContact O-N 3.3Å; G162-A164 VanDerWaalsContact C-N 3.35Å; G162-A164 PolarHBondContact O-N 2.95Å; A164-Q167 PolarHBondContact O-N 3.37Å; A164-I168 WeakPolarHBondContact O-CB 3.4Å; A164-I168 WeakPolarHBondContact O-CD1 3.25Å; A164-I168 VanDerWaalsContact O-CG1 3.27Å; A164-I168 WeakPolarHBondContact O-CG1 3.22Å; A164-I168 PolarHBondContact O-N 2.86Å
165T98.9Very high98.5Very high0 Ų023 Ų230%014%0.14CC..Hα-helixtrans-61.6-44.7176.5-54.20000111.1A136 L140 V154 V161 G162 L163 Q167 A169 V222A136-T165 WeakPolarHBondContact CB-OG1 3.35Å; L140-T165 HydrophobicContact CD1-CG2 4.04Å; L140-T165 HydrophobicContact CD2-CG2 4.13Å; L140-T165 HydrophobicContact CG-CG2 4.22Å; V154-T165 HydrophobicContact CG1-CG2 4.18Å; V154-T165 HydrophobicContact CG2-CG2 3.59Å; V161-T165 WeakPolarHBondContact O-CB 3.24Å; V161-T165 PolarHBondContact O-N 3.21Å; V161-T165 PolarHBondContact O-OG1 2.88Å; G162-T165 WeakPolarHBondContact O-CB 3.44Å; G162-T165 PolarHBondContact O-N 3.2Å; G162-T165 VanDerWaalsContact O-N 3.17Å; L163-T165 VanDerWaalsContact C-N 3.31Å; L163-T165 PolarHBondContact O-N 2.86Å; T165-Q167 PolarHBondContact O-N 3.49Å; T165-A169 WeakPolarHBondContact O-CB 3.4Å; T165-A169 PolarHBondContact O-N 3.48Å; T165-V222 HydrophobicContact CG2-CB 4.19Å; T165-V222 HydrophobicContact CG2-CG1 4.22Å; T165-V222 HydrophobicContact CG2-CG2 3.9Å
166C98.9Very high98.5Very high0 Ų022.8 Ų22.80%014%0.139CC..Hα-helixtrans-59.9-46.3176.6-66.90000112.4G162 L163 R170 V176 N192G162-C166 PolarHBondContact O-N 3.07Å; G162-C166 PolarHBondContact O-SG 2.97Å; G162-C166 VanDerWaalsContact O-SG 3.38Å; L163-C166 PolarHBondContact O-N 3.21Å; C166-R170 VanDerWaalsContact O-CB 3.22Å; C166-R170 WeakPolarHBondContact O-CB 3.43Å; C166-R170 PolarHBondContact O-N 2.71Å; C166-V176 HydrophobicContact CB-CG1 4.24Å; C166-N192 CarbonylContact C-O 3.5Å; C166-N192 VanDerWaalsContact C-O 3.29Å; C166-N192 VanDerWaalsContact CB-O 3.29Å; C166-N192 WeakPolarHBondContact CB-O 3.43Å
167Q98.9Very high98.6Very high11 Ų1121.6 Ų21.65%0.05113%0.126CC..Hα-helixtrans-63.6-49.8179.8-72.6178.28.800111.7Y133 L163 A164 T165 R170 A171 N192 W294 K296Y133-Q167 PolarHBondContact OH-OE1 2.83Å; L163-Q167 WeakPolarHBondContact O-CG 3.29Å; L163-Q167 PolarHBondContact O-N 3.36Å; A164-Q167 PolarHBondContact O-N 3.37Å; T165-Q167 PolarHBondContact O-N 3.49Å; Q167-R170 PolarHBondContact O-N 3.02Å; Q167-A171 WeakPolarHBondContact O-CB 3.42Å; Q167-A171 PolarHBondContact O-N 3.36Å; Q167-N192 HydrophobicContact CG-CB 4.2Å; Q167-N192 PolarHBondContact N-O 3.4Å; Q167-N192 PolarHBondContact NE2-OD1 2.68Å; Q167-W294 PolarHBondContact OE1-O 3.12Å; Q167-K296 PolarHBondContact NE2-O 2.79Å
168I98.9Very high98.6Very high0 Ų021.6 Ų21.60%013%0.126CC..Hα-helixtrans-62.4-49.2179.7-66.1160.1000109.8Y133 A136 L140 F141 A164 R170 A171 H172 L286 W294Y133-I168 HydrophobicContact CD1-CD1 4.13Å; Y133-I168 HydrophobicContact CD1-CG1 4.49Å; A136-I168 HydrophobicContact CB-CD1 3.61Å; L140-I168 HydrophobicContact CD1-CB 3.87Å; L140-I168 HydrophobicContact CD1-CG2 3.56Å; F141-I168 HydrophobicContact CE2-CG2 3.59Å; F141-I168 HydrophobicContact CZ-CG2 3.47Å; F141-I168 VanDerWaalsContact CZ-CG2 3.47Å; A164-I168 WeakPolarHBondContact O-CB 3.4Å; A164-I168 WeakPolarHBondContact O-CD1 3.25Å; A164-I168 VanDerWaalsContact O-CG1 3.27Å; A164-I168 WeakPolarHBondContact O-CG1 3.22Å; A164-I168 PolarHBondContact O-N 2.86Å; I168-R170 PolarHBondContact O-N 3.28Å; I168-A171 PolarHBondContact O-N 3.17Å; I168-H172 PolarHBondContact O-N 3.13Å; I168-H172 VanDerWaalsContact O-N 3.09Å; I168-H172 PolarHBondContact O-ND1 2.8Å; I168-L286 HydrophobicContact CD1-CD2 4.3Å; I168-W294 HydrophobicContact CB-CZ3 4.26Å; I168-W294 HydrophobicContact CG1-CH2 4.2Å; I168-W294 HydrophobicContact CG1-CZ3 3.62Å
169A98.9Very high98.6Very high1 Ų121.3 Ų21.31%0.00812%0.124CC..Hα-helixtrans-61.1-43.7-17900000112.1L140 V152 T165 A171 H172 G173 L174 V176L140-A169 HydrophobicContact CD1-CB 4.29Å; V152-A169 HydrophobicContact CG1-CB 3.77Å; T165-A169 WeakPolarHBondContact O-CB 3.4Å; T165-A169 PolarHBondContact O-N 3.48Å; A169-A171 PolarHBondContact O-N 3.44Å; A169-H172 PolarHBondContact O-N 3.34Å; A169-G173 PolarHBondContact O-N 3.42Å; A169-L174 HydrophobicContact CB-CB 4.13Å; A169-L174 HydrophobicContact CB-CD2 3.97Å; A169-L174 HydrophobicContact CB-CG 4.47Å; A169-L174 WeakPolarHBondContact O-CB 3.38Å; A169-L174 WeakPolarHBondContact O-CD1 3.13Å; A169-L174 PolarHBondContact O-N 3.42Å; A169-V176 HydrophobicContact CB-CG2 3.57Å
170R98.7Very high98.6Very high123 Ų12320.6 Ų20.646%0.46412%0.117SC..Hα-helixtrans-62.4-43.5177-17964.1178.8-147.26.9111.7C166 Q167 I168 H172 G173 V176 G193 H195C166-R170 VanDerWaalsContact O-CB 3.22Å; C166-R170 WeakPolarHBondContact O-CB 3.43Å; C166-R170 PolarHBondContact O-N 2.71Å; Q167-R170 PolarHBondContact O-N 3.02Å; I168-R170 PolarHBondContact O-N 3.28Å; R170-H172 PolarHBondContact O-N 2.94Å; R170-G173 PolarHBondContact O-N 2.73Å; R170-V176 HydrophobicContact CB-CG2 4.31Å; R170-G193 WeakPolarHBondContact CD-O 3.32Å; R170-H195 PolarHBondContact NH1-CD2 2.9Å; R170-H195 PolarHBondContact NH1-CE1 3.4Å; R170-H195 PolarHBondContact NH1-ND1 3.07Å; R170-H195 PolarHBondContact NH1-NE2 3.06Å
171A98.6Very high98.5Very high46 Ų4619.8 Ų19.838%0.3811%0.109SC..Hα-helixtrans-65.3-24.2178.900000113.3Q167 I168 A169 W294Q167-A171 WeakPolarHBondContact O-CB 3.42Å; Q167-A171 PolarHBondContact O-N 3.36Å; I168-A171 PolarHBondContact O-N 3.17Å; A169-A171 PolarHBondContact O-N 3.44Å; A171-W294 HydrophobicContact CB-CB 4.13Å; A171-W294 HydrophobicContact CB-CD2 3.45Å; A171-W294 VanDerWaalsContact CB-CD2 3.45Å; A171-W294 HydrophobicContact CB-CE3 3.74Å; A171-W294 HydrophobicContact CB-CG 3.63Å; A171-W294 HydrophobicContact CB-CZ3 4.42Å
172H98.6Very high98.4Very high66 Ų6619.9 Ų19.931%0.30611%0.111SC..THydrogen-bonded Turntrans-100.714.5179.9-65.874000113.2F141 I168 A169 R170 L174 W294F141-H172 AromaticContact CE1-CD2 3.76Å; F141-H172 AromaticContact CZ-CD2 3.6Å; F141-H172 AromaticContact CZ-CE1 3.67Å; F141-H172 AromaticContact CZ-CG 3.77Å; F141-H172 AromaticContact CZ-ND1 3.8Å; F141-H172 AromaticContact CZ-NE2 3.54Å; I168-H172 PolarHBondContact O-N 3.13Å; I168-H172 VanDerWaalsContact O-N 3.09Å; I168-H172 PolarHBondContact O-ND1 2.8Å; A169-H172 PolarHBondContact O-N 3.34Å; R170-H172 PolarHBondContact O-N 2.94Å; H172-L174 HydrophobicContact CB-CD1 3.89Å; H172-L174 WeakPolarHBondContact O-CD1 3.24Å; H172-W294 AromaticContact CE1-CH2 3.97Å; H172-W294 AromaticContact CE1-CZ2 3.92Å
173G98.6Very high98.2Very high43 Ų4325.3 Ų25.344%0.44314%0.136SC..THydrogen-bonded Turntrans79.823.217000000115.1G149 A169 R170G149-G173 PolarHBondContact N-O 2.96Å; A169-G173 PolarHBondContact O-N 3.42Å; R170-G173 PolarHBondContact O-N 2.73Å
174L98.8Very high98.1Very high5 Ų531.9 Ų31.93%0.02617%0.165CC..  trans-85.1150.3175.6-71.972.1000111.4L140 V146 E150 V152 A169 H172 V176 H195L140-L174 HydrophobicContact CD2-CD2 4.42Å; V146-L174 HydrophobicContact CB-CD1 4.48Å; V146-L174 HydrophobicContact CB-CD2 3.95Å; V146-L174 HydrophobicContact CG1-CD2 3.87Å; V146-L174 HydrophobicContact CG2-CD1 4.29Å; V146-L174 HydrophobicContact CG2-CD2 4.28Å; E150-L174 CarbonylContact O-C 3.08Å; E150-L174 WeakPolarHBondContact O-CA 3.38Å; E150-L174 WeakPolarHBondContact O-CB 3.36Å; V152-L174 HydrophobicContact CB-CD2 4.01Å; V152-L174 HydrophobicContact CG1-CB 4.08Å; V152-L174 HydrophobicContact CG1-CD2 3.74Å; A169-L174 HydrophobicContact CB-CB 4.13Å; A169-L174 HydrophobicContact CB-CD2 3.97Å; A169-L174 HydrophobicContact CB-CG 4.47Å; A169-L174 WeakPolarHBondContact O-CB 3.38Å; A169-L174 WeakPolarHBondContact O-CD1 3.13Å; A169-L174 PolarHBondContact O-N 3.42Å; H172-L174 HydrophobicContact CB-CD1 3.89Å; H172-L174 WeakPolarHBondContact O-CD1 3.24Å; L174-V176 HydrophobicContact CB-CG2 4.43Å; L174-V176 PolarHBondContact O-N 3.25Å; L174-H195 PolarHBondContact O-CE1 3.36Å
175K98.6Very high98.1Very high82 Ų8231.9 Ų31.936%0.35717%0.165SC..EExtended strand (participates in β ladder)trans-79.798.3165.2-174.5-178.8177.2-1730109.2E150 S151 V152 L177 E196E150-K175 PolarHBondContact O-N 2.88Å; S151-K175 CarbonylContact C-O 3.29Å; S151-K175 VanDerWaalsContact CA-O 3.31Å; S151-K175 WeakPolarHBondContact CA-O 3.39Å; V152-K175 PolarHBondContact N-O 3.38Å; K175-L177 HydrophobicContact CG-CD1 4.46Å; K175-E196 IonicContact NZ-OE1 3.59Å
176V98.9Very high98Very high0 Ų033.2 Ų33.20%017%0.17CC..EExtended strand (participates in β ladder)trans-85.9124.3-176.6-174.10000111.9V152 V154 C166 A169 R170 L174 A194 H195V152-V176 HydrophobicContact CG1-CB 4.3Å; V152-V176 HydrophobicContact CG1-CG1 4.38Å; V152-V176 HydrophobicContact CG1-CG2 3.96Å; V152-V176 CarbonylContact O-C 3.59Å; V154-V176 HydrophobicContact CG2-CG1 4.34Å; C166-V176 HydrophobicContact CB-CG1 4.24Å; A169-V176 HydrophobicContact CB-CG2 3.57Å; R170-V176 HydrophobicContact CB-CG2 4.31Å; L174-V176 HydrophobicContact CB-CG2 4.43Å; L174-V176 PolarHBondContact O-N 3.25Å; V176-A194 HydrophobicContact CG1-CB 4.13Å; V176-H195 PolarHBondContact N-CE1 2.89Å; V176-H195 PolarHBondContact N-ND1 2.87Å; V176-H195 WeakPolarHBondContact O-CB 3.47Å; V176-H195 PolarHBondContact O-N 2.93Å; V176-H195 PolarHBondContact O-ND1 2.9Å
177L98.9Very high98Very high0 Ų039.6 Ų39.60%020%0.198CC..EExtended strand (participates in β ladder)trans-111.7148.6164.4-5988.8000107.9V152 L153 V154 K175 E196 F198 V213V152-L177 PolarHBondContact O-N 3.47Å; L153-L177 WeakPolarHBondContact CA-O 3.35Å; L153-L177 HydrophobicContact CD1-CB 3.93Å; V154-L177 PolarHBondContact N-O 3.27Å; K175-L177 HydrophobicContact CG-CD1 4.46Å; L177-E196 WeakPolarHBondContact CA-O 3.36Å; L177-F198 HydrophobicContact CB-CE2 4.2Å; L177-F198 HydrophobicContact CD2-CE2 3.76Å; L177-F198 HydrophobicContact CD2-CZ 4.1Å; L177-F198 HydrophobicContact CG-CE2 4.43Å; L177-V213 HydrophobicContact CD1-CG1 4.44Å; L177-V213 HydrophobicContact CD2-CG1 3.59Å
178G98.6Very high97.9Very high0 Ų040 Ų400%020%0.201CC..EExtended strand (participates in β ladder)trans-141.1160.7177.700000113.4V154 E196 V197 F198V154-G178 WeakPolarHBondContact O-CA 3.48Å; G178-E196 PolarHBondContact N-O 3.18Å; G178-V197 CarbonylContact O-C 3.55Å; G178-V197 VanDerWaalsContact O-CA 3.27Å; G178-V197 WeakPolarHBondContact O-CA 3.17Å; G178-V197 WeakPolarHBondContact O-CG2 3.41Å; G178-F198 PolarHBondContact O-N 2.9Å
179T98.6Very high97.9Very high0 Ų040 Ų400%020%0.201CC..EExtended strand (participates in β ladder)trans-120.7142.9171.177.90000112.6L153 V154 H155 G156 A157 F198 H200 Y205 I209L153-T179 HydrophobicContact CD1-CG2 4.02Å; V154-T179 PolarHBondContact O-N 3.17Å; V154-T179 VanDerWaalsContact O-N 3.07Å; H155-T179 PolarHBondContact CD2-OG1 2.89Å; G156-T179 PolarHBondContact N-OG1 3.45Å; A157-T179 PolarHBondContact N-O 2.76Å; T179-F198 VanDerWaalsContact CA-O 3.25Å; T179-F198 WeakPolarHBondContact CA-O 3.49Å; T179-F198 HydrophobicContact CG2-CB 4.4Å; T179-H200 PolarHBondContact OG1-ND1 2.91Å; T179-Y205 HydrophobicContact CG2-CE2 4.38Å; T179-I209 HydrophobicContact CG2-CD1 4.24Å
180A97.7Very high97.9Very high0 Ų043.7 Ų43.70%022%0.22CC..  trans-151.8141.4175.800000111.1S182 K186 V189 F198 D199A180-S182 PolarHBondContact O-N 2.9Å; A180-K186 HydrophobicContact CB-CG 4.02Å; A180-V189 HydrophobicContact CB-CG2 4.21Å; A180-F198 PolarHBondContact N-O 2.66Å; A180-D199 WeakPolarHBondContact O-CA 3.38Å
181G95.3Very high97.9Very high5 Ų544.9 Ų44.95%0.05223%0.231CC..SBendtrans-94.120-172.800000115.5H200 K201G181-H200 WeakPolarHBondContact CA-NE2 3.17Å; G181-H200 PolarHBondContact N-CE1 2.9Å; G181-H200 PolarHBondContact N-NE2 2.94Å; G181-K201 WeakPolarHBondContact O-CD 3.42Å; G181-K201 WeakPolarHBondContact O-CE 3.36Å; G181-K201 PolarHBondContact O-NZ 2.95Å
182S95.4Very high97.9Very high31 Ų3143.7 Ų43.722%0.21722%0.218CC..SBendtrans-151.8152.6175.772.40000110.9A180 K184 G185 K186A180-S182 PolarHBondContact O-N 2.9Å; S182-K184 VanDerWaalsContact C-N 3.3Å; S182-K184 PolarHBondContact O-N 3.46Å; S182-G185 CarbonylContact O-C 3.37Å; S182-G185 WeakPolarHBondContact O-CA 3.36Å; S182-G185 PolarHBondContact O-N 2.92Å; S182-G185 PolarHBondContact OG-N 3.44Å; S182-G185 VanDerWaalsContact OG-N 3.07Å; S182-K186 WeakPolarHBondContact O-CG 3.45Å; S182-K186 PolarHBondContact O-N 2.96Å
183E95.9Very high97.8Very high115 Ų11541.1 Ų41.154%0.53721%0.209SC..Hα-helixtrans-57.2-42176.9-70.5-53.2136.100112.9G185 K186 K187E183-G185 VanDerWaalsContact C-N 3.33Å; E183-G185 PolarHBondContact O-N 3.04Å; E183-K186 PolarHBondContact O-N 3.08Å; E183-K186 WeakPolarHBondContact OE1-CE 3.31Å; E183-K186 IonicContact OE1-NZ 3.63Å; E183-K186 PolarHBondContact OE1-NZ 3.1Å; E183-K186 VanDerWaalsContact OE2-CE 3.3Å; E183-K186 WeakPolarHBondContact OE2-CE 3.19Å; E183-K186 IonicContact OE2-NZ 3.61Å; E183-K187 WeakPolarHBondContact O-CG 3.38Å; E183-K187 PolarHBondContact O-N 3.01Å
184K96.1Very high97.8Very high142 Ų14239.4 Ų39.462%0.61719%0.191SC*.Hα-helixtrans-62.4-42175.5-172.1177.8171-167.50111.1S182 L188 T322S182-K184 VanDerWaalsContact C-N 3.3Å; S182-K184 PolarHBondContact O-N 3.46Å; K184-L188 WeakPolarHBondContact O-CB 3.48Å; K184-L188 PolarHBondContact O-N 3.33Å; K184-T322 HydrophobicContact CB-CG2 4.03Å; K184-T322 HydrophobicContact CD-CG2 3.82Å; K184-T322 HydrophobicContact CG-CG2 3.7Å
185G97.4Very high97.8Very high0 Ų043 Ų430%021%0.207CC..Hα-helixtrans-63.6-42.8175.400000112.4S182 E183 L188 V189S182-G185 CarbonylContact O-C 3.37Å; S182-G185 WeakPolarHBondContact O-CA 3.36Å; S182-G185 PolarHBondContact O-N 2.92Å; S182-G185 PolarHBondContact OG-N 3.44Å; S182-G185 VanDerWaalsContact OG-N 3.07Å; E183-G185 VanDerWaalsContact C-N 3.33Å; E183-G185 PolarHBondContact O-N 3.04Å; G185-L188 PolarHBondContact O-N 3.44Å; G185-V189 VanDerWaalsContact O-CG2 3.29Å; G185-V189 WeakPolarHBondContact O-CG2 3.23Å; G185-V189 PolarHBondContact O-N 2.96Å
186K98.3Very high97.8Very high28 Ų2842.2 Ų42.212%0.12221%0.205CC..Hα-helixtrans-62-48.6178-72.8-169.2-63.2-168.10112.2A180 S182 E183 L188 V189 L190 V197 D199A180-K186 HydrophobicContact CB-CG 4.02Å; S182-K186 WeakPolarHBondContact O-CG 3.45Å; S182-K186 PolarHBondContact O-N 2.96Å; E183-K186 PolarHBondContact O-N 3.08Å; E183-K186 WeakPolarHBondContact OE1-CE 3.31Å; E183-K186 IonicContact OE1-NZ 3.63Å; E183-K186 PolarHBondContact OE1-NZ 3.1Å; E183-K186 VanDerWaalsContact OE2-CE 3.3Å; E183-K186 WeakPolarHBondContact OE2-CE 3.19Å; E183-K186 IonicContact OE2-NZ 3.61Å; K186-L188 VanDerWaalsContact C-N 3.26Å; K186-L188 PolarHBondContact O-N 2.88Å; K186-V189 PolarHBondContact O-N 2.84Å; K186-L190 WeakPolarHBondContact O-CG 3.38Å; K186-L190 PolarHBondContact O-N 3.32Å; K186-L190 VanDerWaalsContact O-N 3.12Å; K186-V197 HydrophobicContact CB-CG1 3.79Å; K186-V197 HydrophobicContact CB-CG2 4.1Å; K186-V197 HydrophobicContact CD-CG1 4.34Å; K186-V197 HydrophobicContact CG-CG1 4.13Å; K186-V197 HydrophobicContact CG-CG2 3.94Å; K186-D199 HydrophobicContact CD-CB 4.12Å; K186-D199 IonicContact NZ-OD2 3.74Å
187K98.1Very high97.8Very high133 Ų13343.8 Ų43.858%0.57821%0.214SC*.Hα-helixtrans-56.9-42.6174.7-72.5179.2-178.7-1780111.5E183 L190 Q191E183-K187 WeakPolarHBondContact O-CG 3.38Å; E183-K187 PolarHBondContact O-N 3.01Å; K187-L190 PolarHBondContact O-N 2.87Å; K187-Q191 WeakPolarHBondContact O-CB 3.36Å; K187-Q191 VanDerWaalsContact O-CG 3.26Å; K187-Q191 WeakPolarHBondContact O-CG 3.44Å; K187-Q191 PolarHBondContact O-N 3.26Å
188L97.4Very high97.8Very high20 Ų2044.8 Ų44.811%0.10522%0.219CC..Hα-helixtrans-65.2-42.8-179.9-170.966.5000112.1L163 K184 G185 K186 L190 Q191 N192 V298 T322L163-L188 HydrophobicContact CD1-CD2 3.52Å; L163-L188 HydrophobicContact CD1-CG 3.96Å; L163-L188 HydrophobicContact CD2-CD2 4.24Å; L163-L188 HydrophobicContact CD2-CG 3.97Å; L163-L188 HydrophobicContact CG-CD2 4.48Å; K184-L188 WeakPolarHBondContact O-CB 3.48Å; K184-L188 PolarHBondContact O-N 3.33Å; G185-L188 PolarHBondContact O-N 3.44Å; K186-L188 VanDerWaalsContact C-N 3.26Å; K186-L188 PolarHBondContact O-N 2.88Å; L188-L190 VanDerWaalsContact C-N 3.35Å; L188-L190 PolarHBondContact O-N 3.29Å; L188-Q191 PolarHBondContact O-N 3.12Å; L188-N192 WeakPolarHBondContact CD1-ND2 3.47Å; L188-N192 WeakPolarHBondContact O-CB 3.5Å; L188-N192 PolarHBondContact O-N 3.46Å; L188-N192 VanDerWaalsContact O-N 3.11Å; L188-N192 PolarHBondContact O-ND2 2.96Å; L188-V298 HydrophobicContact CD1-CG1 3.81Å; L188-V298 HydrophobicContact CD1-CG2 4.3Å; L188-V298 HydrophobicContact CD2-CG1 4.05Å; L188-V298 HydrophobicContact CG-CG1 4.46Å; L188-T322 WeakPolarHBondContact CD2-O 3.46Å
189V98.7Very high97.7Very high0 Ų045.8 Ų45.80%022%0.224CC..Hα-helixtrans-61.4-42.9177.8168.50000111.5A157 L163 A180 G185 K186 N192 G193 A194 V197A157-V189 HydrophobicContact CB-CB 4.3Å; A157-V189 HydrophobicContact CB-CG1 3.73Å; A157-V189 HydrophobicContact CB-CG2 3.5Å; A157-V189 VanDerWaalsContact CB-CG2 3.5Å; L163-V189 HydrophobicContact CD2-CG2 4.16Å; A180-V189 HydrophobicContact CB-CG2 4.21Å; G185-V189 VanDerWaalsContact O-CG2 3.29Å; G185-V189 WeakPolarHBondContact O-CG2 3.23Å; G185-V189 PolarHBondContact O-N 2.96Å; K186-V189 PolarHBondContact O-N 2.84Å; V189-N192 PolarHBondContact O-N 2.99Å; V189-G193 PolarHBondContact O-N 3.22Å; V189-A194 HydrophobicContact CG1-CB 3.44Å; V189-A194 VanDerWaalsContact CG1-CB 3.44Å; V189-A194 WeakPolarHBondContact O-CB 3.1Å; V189-A194 PolarHBondContact O-N 2.82Å; V189-V197 HydrophobicContact CB-CG2 3.93Å; V189-V197 HydrophobicContact CG1-CB 4.29Å; V189-V197 HydrophobicContact CG1-CG2 3.72Å
190L98.7Very high97.5Very high78 Ų7849.1 Ų49.141%0.40824%0.24SC..Hα-helixtrans-61.8-47.2174.2-68.4169.2000112K186 K187 L188 N192 G193 V197K186-L190 WeakPolarHBondContact O-CG 3.38Å; K186-L190 PolarHBondContact O-N 3.32Å; K186-L190 VanDerWaalsContact O-N 3.12Å; K187-L190 PolarHBondContact O-N 2.87Å; L188-L190 VanDerWaalsContact C-N 3.35Å; L188-L190 PolarHBondContact O-N 3.29Å; L190-N192 PolarHBondContact O-N 3.49Å; L190-N192 VanDerWaalsContact O-N 3.12Å; L190-G193 PolarHBondContact O-N 2.87Å; L190-V197 HydrophobicContact CD1-CG1 3.69Å; L190-V197 HydrophobicContact CD2-CB 4.06Å; L190-V197 HydrophobicContact CD2-CG1 3.9Å; L190-V197 HydrophobicContact CG-CB 4.07Å; L190-V197 HydrophobicContact CG-CG1 3.63Å
191Q98.3Very high97.3Very high149 Ų14955.1 Ų55.170%0.69627%0.266SS*.Hα-helixtrans-60.6-22.6178.2-73.9170.7-10.500113.3K187 L188K187-Q191 WeakPolarHBondContact O-CB 3.36Å; K187-Q191 VanDerWaalsContact O-CG 3.26Å; K187-Q191 WeakPolarHBondContact O-CG 3.44Å; K187-Q191 PolarHBondContact O-N 3.26Å; L188-Q191 PolarHBondContact O-N 3.12Å
192N98.5Very high97.3Very high20 Ų2058.1 Ų58.111%0.10728%0.279CS..THydrogen-bonded Turntrans-104.718.1-176.4-74-84.7000113.6L163 C166 Q167 L188 V189 L190 V298L163-N192 HydrophobicContact CD2-CB 3.93Å; C166-N192 CarbonylContact C-O 3.5Å; C166-N192 VanDerWaalsContact C-O 3.29Å; C166-N192 VanDerWaalsContact CB-O 3.29Å; C166-N192 WeakPolarHBondContact CB-O 3.43Å; Q167-N192 HydrophobicContact CG-CB 4.2Å; Q167-N192 PolarHBondContact N-O 3.4Å; Q167-N192 PolarHBondContact NE2-OD1 2.68Å; L188-N192 WeakPolarHBondContact CD1-ND2 3.47Å; L188-N192 WeakPolarHBondContact O-CB 3.5Å; L188-N192 PolarHBondContact O-N 3.46Å; L188-N192 VanDerWaalsContact O-N 3.11Å; L188-N192 PolarHBondContact O-ND2 2.96Å; V189-N192 PolarHBondContact O-N 2.99Å; L190-N192 PolarHBondContact O-N 3.49Å; L190-N192 VanDerWaalsContact O-N 3.12Å; N192-V298 WeakPolarHBondContact OD1-CG2 3.33Å
193G97.7Very high97Very high12 Ų1262.1 Ų62.112%0.12431%0.313CS..THydrogen-bonded Turntrans113-3165.500000115.8R170 V189 L190R170-G193 WeakPolarHBondContact CD-O 3.32Å; V189-G193 PolarHBondContact O-N 3.22Å; L190-G193 PolarHBondContact O-N 2.87Å
194A98.8Very high96.9Very high8 Ų860.5 Ų60.57%0.06631%0.308CS..  trans-66.1135.3169.600000110.9V176 V189V176-A194 HydrophobicContact CG1-CB 4.13Å; V189-A194 HydrophobicContact CG1-CB 3.44Å; V189-A194 VanDerWaalsContact CG1-CB 3.44Å; V189-A194 WeakPolarHBondContact O-CB 3.1Å; V189-A194 PolarHBondContact O-N 2.82Å
195H98.8Very high96.8Very high80 Ų8054.7 Ų54.737%0.3728%0.283SS..SBendtrans-78.1-37.5172.3-59.368000110.3R170 L174 V176R170-H195 PolarHBondContact NH1-CD2 2.9Å; R170-H195 PolarHBondContact NH1-CE1 3.4Å; R170-H195 PolarHBondContact NH1-ND1 3.07Å; R170-H195 PolarHBondContact NH1-NE2 3.06Å; L174-H195 PolarHBondContact O-CE1 3.36Å; V176-H195 PolarHBondContact N-CE1 2.89Å; V176-H195 PolarHBondContact N-ND1 2.87Å; V176-H195 WeakPolarHBondContact O-CB 3.47Å; V176-H195 PolarHBondContact O-N 2.93Å; V176-H195 PolarHBondContact O-ND1 2.9Å
196E98.5Very high96.7Very high66 Ų6655.5 Ų55.531%0.30829%0.287SS..EExtended strand (participates in β ladder)trans-139.2147.2-178.9-66.5177.9-116.900109.6K175 L177 G178 F198 S212K175-E196 IonicContact NZ-OE1 3.59Å; L177-E196 WeakPolarHBondContact CA-O 3.36Å; G178-E196 PolarHBondContact N-O 3.18Å; E196-F198 HydrophobicContact CB-CE2 4.05Å; E196-F198 HydrophobicContact CB-CZ 4.12Å; E196-S212 PolarHBondContact OE1-OG 3.12Å; E196-S212 VanDerWaalsContact OE1-OG 3.11Å; E196-S212 VanDerWaalsContact OE2-CB 3.31Å; E196-S212 WeakPolarHBondContact OE2-CB 3.47Å; E196-S212 PolarHBondContact OE2-OG 3.15Å
197V98.6Very high96.5Very high32 Ų3258.7 Ų58.719%0.19431%0.305CS..EExtended strand (participates in β ladder)trans-135.2140.1179.672.90000111.3G178 K186 V189 L190G178-V197 CarbonylContact O-C 3.55Å; G178-V197 VanDerWaalsContact O-CA 3.27Å; G178-V197 WeakPolarHBondContact O-CA 3.17Å; G178-V197 WeakPolarHBondContact O-CG2 3.41Å; K186-V197 HydrophobicContact CB-CG1 3.79Å; K186-V197 HydrophobicContact CB-CG2 4.1Å; K186-V197 HydrophobicContact CD-CG1 4.34Å; K186-V197 HydrophobicContact CG-CG1 4.13Å; K186-V197 HydrophobicContact CG-CG2 3.94Å; V189-V197 HydrophobicContact CB-CG2 3.93Å; V189-V197 HydrophobicContact CG1-CB 4.29Å; V189-V197 HydrophobicContact CG1-CG2 3.72Å; L190-V197 HydrophobicContact CD1-CG1 3.69Å; L190-V197 HydrophobicContact CD2-CB 4.06Å; L190-V197 HydrophobicContact CD2-CG1 3.9Å; L190-V197 HydrophobicContact CG-CB 4.07Å; L190-V197 HydrophobicContact CG-CG1 3.63Å
198F98.3Very high96.5Very high21 Ų2156.2 Ų56.29%0.09229%0.294CS..EExtended strand (participates in β ladder)trans-122149.4-177.7-52.5-91.7000110.8L177 G178 T179 A180 E196 K208 I209L177-F198 HydrophobicContact CB-CE2 4.2Å; L177-F198 HydrophobicContact CD2-CE2 3.76Å; L177-F198 HydrophobicContact CD2-CZ 4.1Å; L177-F198 HydrophobicContact CG-CE2 4.43Å; G178-F198 PolarHBondContact O-N 2.9Å; T179-F198 VanDerWaalsContact CA-O 3.25Å; T179-F198 WeakPolarHBondContact CA-O 3.49Å; T179-F198 HydrophobicContact CG2-CB 4.4Å; A180-F198 PolarHBondContact N-O 2.66Å; E196-F198 HydrophobicContact CB-CE2 4.05Å; E196-F198 HydrophobicContact CB-CZ 4.12Å; F198-K208 HydrophobicContact CD1-CB 3.96Å; F198-K208 HydrophobicContact CE1-CB 4.15Å; F198-I209 HydrophobicContact CB-CD1 4.4Å; F198-I209 HydrophobicContact CB-CG1 4.19Å; F198-I209 HydrophobicContact CD1-CG1 3.74Å; F198-I209 HydrophobicContact CD2-CD1 4.17Å; F198-I209 HydrophobicContact CD2-CG1 3.55Å; F198-I209 HydrophobicContact CE1-CG1 3.98Å; F198-I209 HydrophobicContact CE2-CG1 3.83Å; F198-I209 HydrophobicContact CG-CD1 4.19Å; F198-I209 HydrophobicContact CG-CG1 3.52Å; F198-I209 HydrophobicContact CZ-CG1 4.03Å
199D97.3Very high96.5Very high22 Ų2255.2 Ų55.212%0.11829%0.289CS..  trans-89107.6173.6-167.1-24.8000110.1A180 K186 K201 E202 Y205A180-D199 WeakPolarHBondContact O-CA 3.38Å; K186-D199 HydrophobicContact CD-CB 4.12Å; K186-D199 IonicContact NZ-OD2 3.74Å; D199-K201 PolarHBondContact O-N 3.09Å; D199-K201 VanDerWaalsContact O-N 3.07Å; D199-K201 VanDerWaalsContact OD1-CB 3.3Å; D199-K201 WeakPolarHBondContact OD1-CB 3.39Å; D199-K201 PolarHBondContact OD1-N 3.08Å; D199-E202 HydrophobicContact CB-CG 3.85Å; D199-E202 PolarHBondContact O-N 2.85Å; D199-E202 VanDerWaalsContact O-N 3.09Å; D199-Y205 WeakPolarHBondContact O-CB 3.4Å
200H94.8Very high96.3Very high69 Ų6959 Ų5932%0.31931%0.306SS..THydrogen-bonded Turntrans-68.9-1.9179.857.5-124.2000114.1T179 G181 Y205T179-H200 PolarHBondContact OG1-ND1 2.91Å; G181-H200 WeakPolarHBondContact CA-NE2 3.17Å; G181-H200 PolarHBondContact N-CE1 2.9Å; G181-H200 PolarHBondContact N-NE2 2.94Å; H200-Y205 HydrophobicContact CB-CD2 4.39Å; H200-Y205 HydrophobicContact CB-CE1 4.46Å; H200-Y205 HydrophobicContact CB-CE2 4.11Å
201K93.2Very high96.2Very high127 Ų12764.4 Ų64.455%0.55233%0.326SS*.THydrogen-bonded Turntrans-90.7-16.2171.6-63.2179.5173.6170.30113.1G181 D199G181-K201 WeakPolarHBondContact O-CD 3.42Å; G181-K201 WeakPolarHBondContact O-CE 3.36Å; G181-K201 PolarHBondContact O-NZ 2.95Å; D199-K201 PolarHBondContact O-N 3.09Å; D199-K201 VanDerWaalsContact O-N 3.07Å; D199-K201 VanDerWaalsContact OD1-CB 3.3Å; D199-K201 WeakPolarHBondContact OD1-CB 3.39Å; D199-K201 PolarHBondContact OD1-N 3.08Å
202E94.1Very high96.1Very high68 Ų6858.8 Ų58.832%0.31830%0.303SS..SBendtrans-73.3131.5177-71.4175.8160.800110.2D199 N204 Y205 K208D199-E202 HydrophobicContact CB-CG 3.85Å; D199-E202 PolarHBondContact O-N 2.85Å; D199-E202 VanDerWaalsContact O-N 3.09Å; E202-N204 PolarHBondContact O-N 3.44Å; E202-Y205 VanDerWaalsContact O-CD1 3.24Å; E202-Y205 WeakPolarHBondContact O-CD1 3.28Å; E202-Y205 PolarHBondContact O-N 3.01Å; E202-Y205 VanDerWaalsContact O-N 3.14Å; E202-K208 IonicContact OE1-NZ 3.83Å; E202-K208 PolarHBondContact OE1-NZ 2.95Å; E202-K208 IonicContact OE2-NZ 3.42Å; E202-K208 PolarHBondContact OE2-NZ 3.35Å
203A90.1Very high96Very high114 Ų11459 Ų5994%0.94231%0.305SS*.THydrogen-bonded Turntrans-55.7-30.6-17400000114.5
204N92.8Very high95.8Very high81 Ų8160.2 Ų60.243%0.43332%0.318SS..THydrogen-bonded Turntrans-109.519.9-17667.2-16.4000114E202 I206 D207 K208E202-N204 PolarHBondContact O-N 3.44Å; N204-I206 PolarHBondContact O-N 3.23Å; N204-D207 PolarHBondContact O-N 3.21Å; N204-D207 VanDerWaalsContact O-N 3.07Å; N204-K208 PolarHBondContact O-N 3.1Å; N204-K208 VanDerWaalsContact O-N 3.14Å
205Y95.6Very high95.5Very high21 Ų2168.6 Ų68.68%0.08236%0.361CS..Hα-helixtrans-60.8-33-176.184.3-82.9000113.1H155 T179 D199 H200 E202 D207 K208 I209 N229H155-Y205 AromaticContact CE1-CE2 3.83Å; H155-Y205 AromaticContact CE1-CZ 3.93Å; H155-Y205 PolarHBondContact CE1-OH 3.47Å; H155-Y205 AromaticContact NE2-CE2 3.67Å; H155-Y205 AromaticContact NE2-CZ 3.8Å; H155-Y205 PolarHBondContact NE2-OH 3.38Å; H155-Y205 VanDerWaalsContact NE2-OH 3.17Å; T179-Y205 HydrophobicContact CG2-CE2 4.38Å; D199-Y205 WeakPolarHBondContact O-CB 3.4Å; H200-Y205 HydrophobicContact CB-CD2 4.39Å; H200-Y205 HydrophobicContact CB-CE1 4.46Å; H200-Y205 HydrophobicContact CB-CE2 4.11Å; E202-Y205 VanDerWaalsContact O-CD1 3.24Å; E202-Y205 WeakPolarHBondContact O-CD1 3.28Å; E202-Y205 PolarHBondContact O-N 3.01Å; E202-Y205 VanDerWaalsContact O-N 3.14Å; Y205-D207 VanDerWaalsContact C-N 3.33Å; Y205-D207 PolarHBondContact O-N 3.08Å; Y205-K208 WeakPolarHBondContact O-CB 3.29Å; Y205-K208 PolarHBondContact O-N 2.97Å; Y205-I209 HydrophobicContact CD2-CD1 3.73Å; Y205-I209 HydrophobicContact CE2-CD1 3.99Å; Y205-I209 WeakPolarHBondContact O-CG1 3.32Å; Y205-I209 PolarHBondContact O-N 3.44Å; Y205-N229 PolarHBondContact OH-OD1 3.01Å
206I94.4Very high95.3Very high17 Ų1771.1 Ų71.19%0.08737%0.371CS..Hα-helixtrans-61-41.6175.1-63.7-64000111.2N204 K208 I209 K210 N232 L236N204-I206 PolarHBondContact O-N 3.23Å; I206-K208 VanDerWaalsContact C-N 3.34Å; I206-I209 PolarHBondContact O-N 3.07Å; I206-K210 WeakPolarHBondContact O-CG 3.38Å; I206-K210 PolarHBondContact O-N 2.73Å; I206-N232 HydrophobicContact CD1-CB 3.9Å; I206-N232 HydrophobicContact CG1-CB 4.22Å; I206-L236 HydrophobicContact CD1-CD1 4.01Å; I206-L236 HydrophobicContact CG2-CD2 4.11Å; I206-L236 HydrophobicContact CG2-CG 4.45Å
207D95Very high95.3Very high95 Ų9568.3 Ų68.351%0.50836%0.36SS..Hα-helixtrans-70.2-33.6178-62.4-35.3000111.7N204 Y205 K210 K211N204-D207 PolarHBondContact O-N 3.21Å; N204-D207 VanDerWaalsContact O-N 3.07Å; Y205-D207 VanDerWaalsContact C-N 3.33Å; Y205-D207 PolarHBondContact O-N 3.08Å; D207-K210 PolarHBondContact O-N 3.04Å; D207-K210 IonicContact OD1-NZ 2.84Å; D207-K211 WeakPolarHBondContact O-CB 3.42Å; D207-K211 PolarHBondContact O-N 3.35Å
208K97.1Very high95.2Very high80 Ų8066.8 Ų66.835%0.34835%0.351SS..Hα-helixtrans-62.8-41.9171.2-67.1177.31741760111.5F198 E202 N204 Y205 I206 K211 S212F198-K208 HydrophobicContact CD1-CB 3.96Å; F198-K208 HydrophobicContact CE1-CB 4.15Å; E202-K208 IonicContact OE1-NZ 3.83Å; E202-K208 PolarHBondContact OE1-NZ 2.95Å; E202-K208 IonicContact OE2-NZ 3.42Å; E202-K208 PolarHBondContact OE2-NZ 3.35Å; N204-K208 PolarHBondContact O-N 3.1Å; N204-K208 VanDerWaalsContact O-N 3.14Å; Y205-K208 WeakPolarHBondContact O-CB 3.29Å; Y205-K208 PolarHBondContact O-N 2.97Å; I206-K208 VanDerWaalsContact C-N 3.34Å; K208-K211 PolarHBondContact O-N 3Å; K208-S212 PolarHBondContact O-N 3.16Å; K208-S212 VanDerWaalsContact O-N 3.07Å
209I97.4Very high95.3Very high0 Ų066.6 Ų66.60%035%0.351CS..Hα-helixtrans-62.8-50174.3-64.5166.7000109.9L153 T179 F198 Y205 I206 K211 S212 V213 L236L153-I209 HydrophobicContact CD1-CD1 4.28Å; L153-I209 HydrophobicContact CD2-CD1 4.19Å; T179-I209 HydrophobicContact CG2-CD1 4.24Å; F198-I209 HydrophobicContact CB-CD1 4.4Å; F198-I209 HydrophobicContact CB-CG1 4.19Å; F198-I209 HydrophobicContact CD1-CG1 3.74Å; F198-I209 HydrophobicContact CD2-CD1 4.17Å; F198-I209 HydrophobicContact CD2-CG1 3.55Å; F198-I209 HydrophobicContact CE1-CG1 3.98Å; F198-I209 HydrophobicContact CE2-CG1 3.83Å; F198-I209 HydrophobicContact CG-CD1 4.19Å; F198-I209 HydrophobicContact CG-CG1 3.52Å; F198-I209 HydrophobicContact CZ-CG1 4.03Å; Y205-I209 HydrophobicContact CD2-CD1 3.73Å; Y205-I209 HydrophobicContact CE2-CD1 3.99Å; Y205-I209 WeakPolarHBondContact O-CG1 3.32Å; Y205-I209 PolarHBondContact O-N 3.44Å; I206-I209 PolarHBondContact O-N 3.07Å; I209-K211 VanDerWaalsContact C-N 3.27Å; I209-K211 PolarHBondContact O-N 2.92Å; I209-S212 WeakPolarHBondContact O-CA 3.3Å; I209-S212 WeakPolarHBondContact O-CB 3.46Å; I209-S212 PolarHBondContact O-N 3.32Å; I209-V213 HydrophobicContact CG2-CG1 4.31Å; I209-V213 WeakPolarHBondContact O-CG2 3.48Å; I209-V213 PolarHBondContact O-N 2.52Å; I209-L236 HydrophobicContact CB-CD2 4.22Å; I209-L236 HydrophobicContact CD1-CD1 4.36Å; I209-L236 HydrophobicContact CG2-CD1 4.08Å; I209-L236 HydrophobicContact CG2-CD2 3.9Å
210K95.4Very high95.4Very high80 Ų8065.5 Ų65.535%0.34835%0.345SS..Hα-helixtrans-53-44.6176.5-73.5177.9-176.11670112.1I206 D207 S212 V213 G214 L236I206-K210 WeakPolarHBondContact O-CG 3.38Å; I206-K210 PolarHBondContact O-N 2.73Å; D207-K210 PolarHBondContact O-N 3.04Å; D207-K210 IonicContact OD1-NZ 2.84Å; K210-S212 VanDerWaalsContact C-N 3.32Å; K210-S212 PolarHBondContact O-N 3.07Å; K210-V213 PolarHBondContact O-N 3.48Å; K210-G214 WeakPolarHBondContact O-CA 3.39Å; K210-G214 PolarHBondContact O-N 2.84Å; K210-L236 HydrophobicContact CD-CD2 4.48Å; K210-L236 HydrophobicContact CG-CD2 3.46Å; K210-L236 VanDerWaalsContact CG-CD2 3.46Å
211K96.3Very high95.5Very high190 Ų19062.2 Ų62.283%0.82633%0.33SS*.Hα-helixtrans-62.7-38.3177.3-173.8178.4179.3-179.80112.5D207 K208 I209D207-K211 WeakPolarHBondContact O-CB 3.42Å; D207-K211 PolarHBondContact O-N 3.35Å; K208-K211 PolarHBondContact O-N 3Å; I209-K211 VanDerWaalsContact C-N 3.27Å; I209-K211 PolarHBondContact O-N 2.92Å
212S96Very high95.8Very high32 Ų3256.2 Ų56.222%0.22430%0.304CS..Hα-helixtrans-68.6-40178.2165.50000112.8E196 K208 I209 K210E196-S212 PolarHBondContact OE1-OG 3.12Å; E196-S212 VanDerWaalsContact OE1-OG 3.11Å; E196-S212 VanDerWaalsContact OE2-CB 3.31Å; E196-S212 WeakPolarHBondContact OE2-CB 3.47Å; E196-S212 PolarHBondContact OE2-OG 3.15Å; K208-S212 PolarHBondContact O-N 3.16Å; K208-S212 VanDerWaalsContact O-N 3.07Å; I209-S212 WeakPolarHBondContact O-CA 3.3Å; I209-S212 WeakPolarHBondContact O-CB 3.46Å; I209-S212 PolarHBondContact O-N 3.32Å; K210-S212 VanDerWaalsContact C-N 3.32Å; K210-S212 PolarHBondContact O-N 3.07Å
213V95.3Very high96Very high24 Ų2453 Ų5315%0.14529%0.289CS..Hα-helixtrans-90.9-15.8-176-54.60000113.1L177 I209 K210 V218L177-V213 HydrophobicContact CD1-CG1 4.44Å; L177-V213 HydrophobicContact CD2-CG1 3.59Å; I209-V213 HydrophobicContact CG2-CG1 4.31Å; I209-V213 WeakPolarHBondContact O-CG2 3.48Å; I209-V213 PolarHBondContact O-N 2.52Å; K210-V213 PolarHBondContact O-N 3.48Å; V213-V218 HydrophobicContact CB-CG2 4.28Å; V213-V218 HydrophobicContact CG1-CG2 3.66Å; V213-V218 HydrophobicContact CG2-CG2 4.33Å
214G94.7Very high96.4Very high38 Ų3849.3 Ų49.339%0.39225%0.252SS..G310 helixtrans63-161.6-177.600000112.9K210 K216 G217K210-G214 WeakPolarHBondContact O-CA 3.39Å; K210-G214 PolarHBondContact O-N 2.84Å; G214-K216 PolarHBondContact O-N 2.64Å; G214-K216 VanDerWaalsContact O-N 3.16Å; G214-G217 PolarHBondContact O-N 3.03Å
215D92.3Very high96.6Very high183 Ų18348.1 Ų48.198%0.97925%0.246SC*.G310 helixtrans-65.2-19.4-177.7-62-30.8000113.4G217D215-G217 VanDerWaalsContact C-N 3.32Å; D215-G217 PolarHBondContact O-N 3.14Å
216K94.6Very high96.7Very high133 Ų13347.2 Ų47.258%0.57824%0.243SC*.G310 helixtrans-64-37.6176.6-172.9-176.6174.1-166.60111.4G214 D219 S238G214-K216 PolarHBondContact O-N 2.64Å; G214-K216 VanDerWaalsContact O-N 3.16Å; K216-D219 IonicContact NZ-OD2 3.45Å; K216-S238 WeakPolarHBondContact O-CA 3.37Å; K216-S238 WeakPolarHBondContact O-CB 3.43Å
217G97.4Very high96.8Very high8 Ų848.1 Ų48.18%0.08225%0.248CC..  trans74.3-165.6-171.200000113.6G214 D215 L236G214-G217 PolarHBondContact O-N 3.03Å; D215-G217 VanDerWaalsContact C-N 3.32Å; D215-G217 PolarHBondContact O-N 3.14Å; G217-L236 CarbonylContact C-O 3.41Å; G217-L236 WeakPolarHBondContact CA-O 3.3Å
218V98.4Very high96.9Very high0 Ų047.4 Ų47.40%025%0.246CC..EExtended strand (participates in β ladder)trans-108.6136-179.6-172.90000110.9S151 L153 V213 V220 L236 L237 S238S151-V218 WeakPolarHBondContact OG-CA 3.5Å; L153-V218 HydrophobicContact CB-CG1 3.98Å; L153-V218 HydrophobicContact CB-CG2 4.4Å; V213-V218 HydrophobicContact CB-CG2 4.28Å; V213-V218 HydrophobicContact CG1-CG2 3.66Å; V213-V218 HydrophobicContact CG2-CG2 4.33Å; V218-V220 WeakPolarHBondContact CG1-O 3.49Å; V218-L236 PolarHBondContact N-O 3.03Å; V218-L237 CarbonylContact O-C 3.48Å; V218-L237 VanDerWaalsContact O-CA 3.29Å; V218-L237 WeakPolarHBondContact O-CA 3.48Å; V218-L237 WeakPolarHBondContact O-CD2 3.3Å; V218-S238 PolarHBondContact O-N 3.42Å; V218-S238 PolarHBondContact O-OG 3.06Å
219D98.9Very high96.9Very high16 Ų1644.2 Ų44.29%0.08623%0.233CC..EExtended strand (participates in β ladder)trans-74.9-37-177.3-51.7-58.6000112.2E150 S151 K216 S238 G241 R242E150-D219 HydrophobicContact CB-CB 4.04Å; E150-D219 HydrophobicContact CG-CB 4.2Å; S151-D219 PolarHBondContact N-OD2 3.25Å; S151-D219 PolarHBondContact O-N 3.39Å; S151-D219 PolarHBondContact OG-N 3.45Å; S151-D219 PolarHBondContact OG-OD2 2.85Å; K216-D219 IonicContact NZ-OD2 3.45Å; D219-S238 WeakPolarHBondContact CA-OG 3.33Å; D219-S238 PolarHBondContact OD1-OG 2.83Å; D219-G241 CarbonylContact O-C 3.57Å; D219-G241 WeakPolarHBondContact O-CA 3.42Å; D219-R242 PolarHBondContact O-N 2.77Å
220V98.9Very high96.9Very high0 Ų044.9 Ų44.90%024%0.237CC..EExtended strand (participates in β ladder)trans-134.6134.1179.6-176.20000111.7A144 V146 S151 V152 L153 V218 V222 R242 I244A144-V220 HydrophobicContact CB-CG1 3.74Å; A144-V220 HydrophobicContact CB-CG2 4.15Å; V146-V220 HydrophobicContact CG1-CG2 4.07Å; S151-V220 PolarHBondContact O-N 3.16Å; V152-V220 CarbonylContact C-O 3.58Å; V152-V220 WeakPolarHBondContact CA-O 3.47Å; V152-V220 HydrophobicContact CB-CB 4.34Å; V152-V220 HydrophobicContact CG2-CB 4.14Å; V152-V220 HydrophobicContact CG2-CG1 4.16Å; L153-V220 PolarHBondContact N-O 3.12Å; V218-V220 WeakPolarHBondContact CG1-O 3.49Å; V220-V222 HydrophobicContact CG1-CG2 4.26Å; V220-R242 CarbonylContact C-O 3.57Å; V220-R242 WeakPolarHBondContact CA-O 3.4Å; V220-R242 HydrophobicContact CG2-CG 4.18Å; V220-I244 HydrophobicContact CG1-CG1 4.25Å
221V98.9Very high97Very high0 Ų042.9 Ų42.90%023%0.23CC..EExtended strand (participates in β ladder)trans-110.6127.5164.8179.90000108.3L153 E223 D233 L237 R242 V243 I244L153-V221 HydrophobicContact CB-CG2 4.26Å; L153-V221 HydrophobicContact CD2-CG2 4.4Å; L153-V221 CarbonylContact O-C 3.6Å; L153-V221 WeakPolarHBondContact O-CA 3.23Å; V221-E223 HydrophobicContact CG1-CB 4.29Å; V221-D233 HydrophobicContact CG1-CB 4.2Å; V221-D233 HydrophobicContact CG2-CB 4.34Å; V221-L237 HydrophobicContact CG2-CD2 3.78Å; V221-R242 PolarHBondContact N-O 3.04Å; V221-V243 HydrophobicContact CB-CB 4.4Å; V221-V243 HydrophobicContact CB-CG1 4.15Å; V221-V243 HydrophobicContact CB-CG2 4.17Å; V221-V243 HydrophobicContact CG1-CG1 4.21Å; V221-V243 HydrophobicContact CG2-CG2 4.5Å; V221-V243 CarbonylContact O-C 3.57Å; V221-V243 WeakPolarHBondContact O-CA 3.46Å; V221-I244 PolarHBondContact O-N 3.3Å
222V98.9Very high97Very high0 Ų036.4 Ų36.40%020%0.204CC..EExtended strand (participates in β ladder)trans-102107.5168.9-176.30000107.5A139 L140 V152 L153 H155 T165 V220 M224 V246A139-V222 HydrophobicContact CB-CG1 4.42Å; L140-V222 HydrophobicContact CD2-CG2 4.21Å; V152-V222 HydrophobicContact CG2-CG2 3.92Å; L153-V222 PolarHBondContact O-N 2.96Å; H155-V222 PolarHBondContact N-O 3.32Å; T165-V222 HydrophobicContact CG2-CB 4.19Å; T165-V222 HydrophobicContact CG2-CG1 4.22Å; T165-V222 HydrophobicContact CG2-CG2 3.9Å; V220-V222 HydrophobicContact CG1-CG2 4.26Å; V222-M224 HydrophobicContact CG1-CE 3.62Å; V222-V246 HydrophobicContact CG1-CG2 3.63Å
223E98.6Very high97.1Very high0 Ų034.9 Ų34.90%019%0.194CC..EExtended strand (participates in β ladder)trans-106.5118.7-165-179.250.9-119.400112.3H155 V221 L225 A226 N229 V243 I244 V246 G247H155-E223 WeakPolarHBondContact CB-OE2 3.35Å; H155-E223 IonicContact CG-OE2 2.75Å; H155-E223 IonicContact ND1-OE2 3.87Å; H155-E223 PolarHBondContact ND1-OE2 3.37Å; H155-E223 VanDerWaalsContact ND1-OE2 3.08Å; V221-E223 HydrophobicContact CG1-CB 4.29Å; E223-L225 VanDerWaalsContact OE1-CA 3.31Å; E223-L225 WeakPolarHBondContact OE1-CA 3.3Å; E223-L225 PolarHBondContact OE1-N 3.26Å; E223-A226 HydrophobicContact CG-CB 3.75Å; E223-A226 PolarHBondContact OE1-N 2.75Å; E223-N229 PolarHBondContact OE1-ND2 2.86Å; E223-N229 WeakPolarHBondContact OE2-CB 3.41Å; E223-V243 HydrophobicContact CB-CG1 3.77Å; E223-I244 PolarHBondContact N-O 3.36Å; E223-V246 WeakPolarHBondContact O-CA 3.14Å; E223-V246 WeakPolarHBondContact O-CB 3.38Å; E223-V246 PolarHBondContact O-N 2.88Å; E223-G247 PolarHBondContact O-N 3.06Å; E223-G247 VanDerWaalsContact O-N 3.09Å
224M97.6Very high97.2Very high37 Ų3733.7 Ų33.718%0.18219%0.187CC..SBendtrans-96.7-12-176.6-56.9-64.3168.600113.9H155 V161 V222 V246 G247H155-M224 WeakPolarHBondContact O-CB 3.47Å; H155-M224 WeakPolarHBondContact O-CG 3.34Å; V161-M224 HydrophobicContact CB-CE 3.74Å; V161-M224 HydrophobicContact CB-SD 3.99Å; V161-M224 HydrophobicContact CG1-CE 3.43Å; V161-M224 VanDerWaalsContact CG1-CE 3.43Å; V161-M224 HydrophobicContact CG1-SD 4.03Å; V222-M224 HydrophobicContact CG1-CE 3.62Å; M224-V246 HydrophobicContact CE-CB 4.42Å; M224-V246 HydrophobicContact CE-CG1 4.38Å; M224-V246 HydrophobicContact CE-CG2 4.34Å; M224-V246 HydrophobicContact SD-CB 3.77Å; M224-V246 HydrophobicContact SD-CG1 3.66Å; M224-V246 HydrophobicContact SD-CG2 4.32Å; M224-G247 CarbonylContact C-O 3.55Å; M224-G247 CarbonylContact O-C 3.59Å; M224-G247 VanDerWaalsContact O-CA 3.3Å; M224-G247 WeakPolarHBondContact O-CA 3.42Å
225L96.6Very high97.3Very high57 Ų5735.7 Ų35.730%0.29819%0.185SC..  trans-146.358.7-177.1-164.366.5000111.2E223 N227 V228 N229 G247 R249E223-L225 VanDerWaalsContact OE1-CA 3.31Å; E223-L225 WeakPolarHBondContact OE1-CA 3.3Å; E223-L225 PolarHBondContact OE1-N 3.26Å; L225-N227 WeakPolarHBondContact CD1-OD1 3.32Å; L225-N227 PolarHBondContact O-N 3.43Å; L225-N227 VanDerWaalsContact O-N 3.07Å; L225-V228 HydrophobicContact CD2-CB 4.1Å; L225-V228 HydrophobicContact CD2-CG2 3.62Å; L225-V228 HydrophobicContact CG-CB 4.17Å; L225-V228 HydrophobicContact CG-CG2 3.78Å; L225-V228 PolarHBondContact O-N 3.35Å; L225-N229 PolarHBondContact O-N 3.03Å; L225-G247 PolarHBondContact N-O 3.2Å; L225-R249 HydrophobicContact CD1-CB 4.44Å; L225-R249 HydrophobicContact CD1-CG 4.06Å
226A97.9Very high97.5Very high2 Ų227.1 Ų27.12%0.01714%0.138CC..Hα-helixtrans-57.6-29.5-172.400000114.2E223 V228 N229 L230 V245 G247 C248 I252E223-A226 HydrophobicContact CG-CB 3.75Å; E223-A226 PolarHBondContact OE1-N 2.75Å; A226-V228 PolarHBondContact O-N 3.09Å; A226-N229 PolarHBondContact O-N 2.77Å; A226-L230 HydrophobicContact CB-CB 4.32Å; A226-L230 WeakPolarHBondContact O-CB 3.2Å; A226-L230 PolarHBondContact O-N 3.04Å; A226-V245 HydrophobicContact CB-CG1 3.73Å; A226-V245 HydrophobicContact CB-CG2 4.19Å; A226-G247 PolarHBondContact N-O 2.87Å; A226-C248 HydrophobicContact CB-CB 4.31Å; A226-I252 WeakPolarHBondContact O-CD1 3.44Å
227N97.1Very high97.7Very high36 Ų3620.8 Ų20.819%0.19311%0.111CC..Hα-helixtrans-66.4-6.8176.568.5-80000114.1L225 R249 G250L225-N227 WeakPolarHBondContact CD1-OD1 3.32Å; L225-N227 PolarHBondContact O-N 3.43Å; L225-N227 VanDerWaalsContact O-N 3.07Å; N227-R249 PolarHBondContact OD1-N 3.07Å; N227-G250 VanDerWaalsContact CB-O 3.27Å; N227-G250 WeakPolarHBondContact CB-O 3.33Å
228V96.3Very high97.8Very high79 Ų7920.7 Ų20.748%0.47911%0.109SC..Hα-helixtrans-110.4-40.5173.2179.10000110.9L225 A226L225-V228 HydrophobicContact CD2-CB 4.1Å; L225-V228 HydrophobicContact CD2-CG2 3.62Å; L225-V228 HydrophobicContact CG-CB 4.17Å; L225-V228 HydrophobicContact CG-CG2 3.78Å; L225-V228 PolarHBondContact O-N 3.35Å; A226-V228 PolarHBondContact O-N 3.09Å
229N97.6Very high97.8Very high13 Ų1329.8 Ų29.87%0.0714%0.143CC..Hα-helixtrans-105.8-22-163.3-61.4-36.5000115.3H155 Y205 E223 L225 A226 N231 N232 D233H155-N229 PolarHBondContact CD2-ND2 2.87Å; H155-N229 VanDerWaalsContact CD2-ND2 3.34Å; H155-N229 PolarHBondContact CE1-ND2 3.45Å; H155-N229 PolarHBondContact NE2-ND2 2.71Å; Y205-N229 PolarHBondContact OH-OD1 3.01Å; E223-N229 PolarHBondContact OE1-ND2 2.86Å; E223-N229 WeakPolarHBondContact OE2-CB 3.41Å; L225-N229 PolarHBondContact O-N 3.03Å; A226-N229 PolarHBondContact O-N 2.77Å; N229-N231 VanDerWaalsContact C-N 3.3Å; N229-N231 PolarHBondContact O-N 2.82Å; N229-N231 VanDerWaalsContact O-N 3.07Å; N229-N232 WeakPolarHBondContact O-CA 3.39Å; N229-N232 WeakPolarHBondContact O-CB 3.42Å; N229-N232 PolarHBondContact O-N 3.1Å; N229-D233 VanDerWaalsContact C-OD2 3.26Å; N229-D233 WeakPolarHBondContact CB-OD2 3.27Å; N229-D233 PolarHBondContact O-N 2.81Å
230L98.3Very high97.7Very high15 Ų1530.9 Ų30.98%0.07916%0.159CC..Hα-helixtrans-54.1-42.9-163.5-176.861000113.5A226 N232 D233 L234 V243 V245 I252 M254 I266A226-L230 HydrophobicContact CB-CB 4.32Å; A226-L230 WeakPolarHBondContact O-CB 3.2Å; A226-L230 PolarHBondContact O-N 3.04Å; L230-N232 VanDerWaalsContact C-N 3.29Å; L230-N232 PolarHBondContact O-N 2.66Å; L230-D233 WeakPolarHBondContact CA-OD2 3.46Å; L230-D233 PolarHBondContact N-OD2 2.86Å; L230-D233 PolarHBondContact O-N 2.84Å; L230-L234 WeakPolarHBondContact O-CG 3.48Å; L230-L234 PolarHBondContact O-N 3.32Å; L230-V243 HydrophobicContact CD1-CB 4.19Å; L230-V243 HydrophobicContact CD1-CG1 3.88Å; L230-V243 HydrophobicContact CD1-CG2 4.29Å; L230-V245 HydrophobicContact CD1-CG2 4.43Å; L230-I252 HydrophobicContact CB-CD1 4.28Å; L230-I252 HydrophobicContact CB-CG2 4.2Å; L230-I252 HydrophobicContact CD2-CG2 4.27Å; L230-M254 HydrophobicContact CD2-SD 4.07Å; L230-I266 HydrophobicContact CD1-CD1 4.28Å; L230-I266 HydrophobicContact CD1-CG1 4.39Å; L230-I266 HydrophobicContact CD1-CG2 4.03Å; L230-I266 HydrophobicContact CD2-CD1 4.38Å; L230-I266 HydrophobicContact CD2-CG2 4.36Å
231N97.2Very high97.7Very high38 Ų3830.9 Ų30.920%0.20316%0.159CC..Hα-helixtrans-63.8-32.1178.1-171.652.5000113.4N229 K235 I252 E253 M254 N255N229-N231 VanDerWaalsContact C-N 3.3Å; N229-N231 PolarHBondContact O-N 2.82Å; N229-N231 VanDerWaalsContact O-N 3.07Å; N231-K235 PolarHBondContact ND2-NZ 2.91Å; N231-K235 WeakPolarHBondContact O-CE 3.47Å; N231-I252 HydrophobicContact CB-CD1 4.32Å; N231-E253 WeakPolarHBondContact CB-O 3.47Å; N231-M254 HydrophobicContact CB-CB 4.2Å; N231-M254 WeakPolarHBondContact OD1-CA 3.44Å; N231-N255 PolarHBondContact OD1-N 3.19Å; N231-N255 VanDerWaalsContact OD1-N 3.16Å
232N96.4Very high97.7Very high53 Ų5332.6 Ų32.628%0.28317%0.165SC..Hα-helixtrans-79.6-35.1174.7-71.1-32.8000111.7I206 N229 L230 L234 K235 L236I206-N232 HydrophobicContact CD1-CB 3.9Å; I206-N232 HydrophobicContact CG1-CB 4.22Å; N229-N232 WeakPolarHBondContact O-CA 3.39Å; N229-N232 WeakPolarHBondContact O-CB 3.42Å; N229-N232 PolarHBondContact O-N 3.1Å; L230-N232 VanDerWaalsContact C-N 3.29Å; L230-N232 PolarHBondContact O-N 2.66Å; N232-L234 VanDerWaalsContact C-N 3.29Å; N232-L234 PolarHBondContact O-N 3.2Å; N232-K235 WeakPolarHBondContact O-CB 3.34Å; N232-K235 PolarHBondContact O-N 3.16Å; N232-K235 VanDerWaalsContact O-N 3.07Å; N232-L236 PolarHBondContact O-N 2.89Å
233D98.1Very high97.7Very high0 Ų032.6 Ų32.60%017%0.165CC..Hα-helixtrans-58.6-41.7177.5-59.1-36.3000111.2H155 V221 N229 L230 K235 L236 L237 V243H155-D233 IonicContact CE1-OD1 3.15Å; H155-D233 IonicContact ND1-OD1 3.76Å; H155-D233 PolarHBondContact ND1-OD1 3.05Å; V221-D233 HydrophobicContact CG1-CB 4.2Å; V221-D233 HydrophobicContact CG2-CB 4.34Å; N229-D233 VanDerWaalsContact C-OD2 3.26Å; N229-D233 WeakPolarHBondContact CB-OD2 3.27Å; N229-D233 PolarHBondContact O-N 2.81Å; L230-D233 WeakPolarHBondContact CA-OD2 3.46Å; L230-D233 PolarHBondContact N-OD2 2.86Å; L230-D233 PolarHBondContact O-N 2.84Å; D233-K235 PolarHBondContact O-N 3.36Å; D233-L236 WeakPolarHBondContact O-CB 3.36Å; D233-L236 PolarHBondContact O-N 2.91Å; D233-L237 PolarHBondContact O-N 2.84Å; D233-V243 HydrophobicContact CB-CG1 4.43Å; D233-V243 HydrophobicContact CB-CG2 3.77Å
234L97.4Very high97.7Very high0 Ų032.6 Ų32.60%017%0.165CC..Hα-helixtrans-57.9-33.9176.6-63-178.9000113.2L230 N232 L236 L237 V243 M254 D258 T259 I266L230-L234 WeakPolarHBondContact O-CG 3.48Å; L230-L234 PolarHBondContact O-N 3.32Å; N232-L234 VanDerWaalsContact C-N 3.29Å; N232-L234 PolarHBondContact O-N 3.2Å; L234-L236 VanDerWaalsContact C-N 3.31Å; L234-L237 HydrophobicContact CD2-CD1 4.24Å; L234-V243 HydrophobicContact CD2-CG2 4.18Å; L234-M254 HydrophobicContact CD1-CE 3.57Å; L234-D258 HydrophobicContact CB-CB 4Å; L234-D258 HydrophobicContact CD1-CB 4.39Å; L234-T259 HydrophobicContact CD1-CG2 3.99Å; L234-T259 HydrophobicContact CD2-CG2 4.06Å; L234-I266 HydrophobicContact CD1-CD1 4.18Å; L234-I266 HydrophobicContact CD2-CD1 3.94Å; L234-I266 HydrophobicContact CD2-CG1 3.85Å
235K95.2Very high97.8Very high80 Ų8032.2 Ų32.235%0.34817%0.165SC..Hα-helixtrans-74.3-25.1179-60.4170.6-169.2166.40111.8N231 N232 D233 D258 K262N231-K235 PolarHBondContact ND2-NZ 2.91Å; N231-K235 WeakPolarHBondContact O-CE 3.47Å; N232-K235 WeakPolarHBondContact O-CB 3.34Å; N232-K235 PolarHBondContact O-N 3.16Å; N232-K235 VanDerWaalsContact O-N 3.07Å; D233-K235 PolarHBondContact O-N 3.36Å; K235-D258 WeakPolarHBondContact CE-OD2 3.18Å; K235-K262 PolarHBondContact O-NZ 3.23Å
236L97.6Very high97.9Very high2 Ų231.2 Ų31.21%0.0116%0.161CC..Hα-helixtrans-84.3-21.8178.9-66.4177000113.5L153 I206 I209 K210 G217 V218 N232 D233 L234L153-L236 HydrophobicContact CD2-CD1 3.74Å; I206-L236 HydrophobicContact CD1-CD1 4.01Å; I206-L236 HydrophobicContact CG2-CD2 4.11Å; I206-L236 HydrophobicContact CG2-CG 4.45Å; I209-L236 HydrophobicContact CB-CD2 4.22Å; I209-L236 HydrophobicContact CD1-CD1 4.36Å; I209-L236 HydrophobicContact CG2-CD1 4.08Å; I209-L236 HydrophobicContact CG2-CD2 3.9Å; K210-L236 HydrophobicContact CD-CD2 4.48Å; K210-L236 HydrophobicContact CG-CD2 3.46Å; K210-L236 VanDerWaalsContact CG-CD2 3.46Å; G217-L236 CarbonylContact C-O 3.41Å; G217-L236 WeakPolarHBondContact CA-O 3.3Å; V218-L236 PolarHBondContact N-O 3.03Å; N232-L236 PolarHBondContact O-N 2.89Å; D233-L236 WeakPolarHBondContact O-CB 3.36Å; D233-L236 PolarHBondContact O-N 2.91Å; L234-L236 VanDerWaalsContact C-N 3.31Å
237L98.5Very high97.7Very high1 Ų132 Ų321%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-63.8147.6-175.1-74.1-179.6000113.3V218 V221 D233 L234 V243 K262 T264V218-L237 CarbonylContact O-C 3.48Å; V218-L237 VanDerWaalsContact O-CA 3.29Å; V218-L237 WeakPolarHBondContact O-CA 3.48Å; V218-L237 WeakPolarHBondContact O-CD2 3.3Å; V221-L237 HydrophobicContact CG2-CD2 3.78Å; D233-L237 PolarHBondContact O-N 2.84Å; L234-L237 HydrophobicContact CD2-CD1 4.24Å; L237-V243 HydrophobicContact CD1-CG2 3.75Å; L237-V243 HydrophobicContact CD2-CG2 4.41Å; L237-V243 HydrophobicContact CG-CG2 4.24Å; L237-K262 VanDerWaalsContact O-CD 3.31Å; L237-K262 WeakPolarHBondContact O-CD 3.46Å; L237-K262 WeakPolarHBondContact O-CE 3.32Å; L237-K262 PolarHBondContact O-NZ 3.05Å; L237-T264 HydrophobicContact CB-CG2 3.69Å; L237-T264 HydrophobicContact CD1-CG2 3.63Å; L237-T264 HydrophobicContact CG-CG2 4.34Å
238S98.5Very high97.5Very high6 Ų633.4 Ų33.44%0.04218%0.181CC..EExtended strand (participates in β ladder)trans-75.4172.5165.5700000111.3K216 V218 D219 G240 G241 T264K216-S238 WeakPolarHBondContact O-CA 3.37Å; K216-S238 WeakPolarHBondContact O-CB 3.43Å; V218-S238 PolarHBondContact O-N 3.42Å; V218-S238 PolarHBondContact O-OG 3.06Å; D219-S238 WeakPolarHBondContact CA-OG 3.33Å; D219-S238 PolarHBondContact OD1-OG 2.83Å; S238-G240 PolarHBondContact O-N 3.4Å; S238-G241 PolarHBondContact O-N 2.83Å; S238-T264 WeakPolarHBondContact O-CG2 3.41Å
239R98.3Very high97.3Very high190 Ų19035.3 Ų35.372%0.71718%0.18SC*.EExtended strand (participates in β ladder)trans-64.4128.9171.5-173.7177.8179.7-169.3-1.6109.8G241 K262 E263R239-G241 PolarHBondContact O-N 3.11Å; R239-K262 CarbonylContact C-O 3.52Å; R239-K262 WeakPolarHBondContact CA-O 3.46Å; R239-E263 IonicContact CZ-OE2 2.59Å; R239-E263 IonicContact NE-OE2 3.38Å; R239-E263 PolarHBondContact NE-OE2 3.39Å; R239-E263 IonicContact NH2-OE2 2.64Å; R239-E263 PolarHBondContact NH2-OE2 3.11Å
240G98.4Very high97Very high40 Ų4036.8 Ų36.841%0.41220%0.198SC..EExtended strand (participates in β ladder)trans73.86.4-171.600000113.9S238 K262S238-G240 PolarHBondContact O-N 3.4Å; G240-K262 PolarHBondContact N-O 3.2Å
241G98.8Very high96.9Very high0 Ų041.6 Ų41.60%023%0.233CC..EExtended strand (participates in β ladder)trans-66.3159.6-179.400000112.9D219 S238 R239 T264 S265D219-G241 CarbonylContact O-C 3.57Å; D219-G241 WeakPolarHBondContact O-CA 3.42Å; S238-G241 PolarHBondContact O-N 2.83Å; R239-G241 PolarHBondContact O-N 3.11Å; G241-T264 WeakPolarHBondContact O-CA 3.42Å; G241-T264 WeakPolarHBondContact O-CB 3.41Å; G241-T264 WeakPolarHBondContact O-CG2 3.23Å; G241-S265 PolarHBondContact O-N 2.9Å
242R98.8Very high96.9Very high36 Ų3642.4 Ų42.414%0.13624%0.237CC..EExtended strand (participates in β ladder)trans-138.2137-178.254.2-116.3-173.7-119.5-1.6114.3A144 E150 D219 V220 V221 I244 S265 I267A144-R242 HydrophobicContact CB-CG 4.47Å; A144-R242 PolarHBondContact O-NE 3.28Å; A144-R242 PolarHBondContact O-NH2 3.13Å; E150-R242 IonicContact OE1-CZ 3.68Å; E150-R242 IonicContact OE1-NH1 3.85Å; E150-R242 PolarHBondContact OE1-NH1 3.34Å; E150-R242 IonicContact OE1-NH2 2.76Å; E150-R242 PolarHBondContact OE1-NH2 3Å; E150-R242 VanDerWaalsContact OE1-NH2 3.16Å; E150-R242 IonicContact OE2-CZ 3.75Å; E150-R242 IonicContact OE2-NH1 3.87Å; E150-R242 IonicContact OE2-NH2 3.88Å; E150-R242 PolarHBondContact OE2-NH2 3.38Å; D219-R242 PolarHBondContact O-N 2.77Å; V220-R242 CarbonylContact C-O 3.57Å; V220-R242 WeakPolarHBondContact CA-O 3.4Å; V220-R242 HydrophobicContact CG2-CG 4.18Å; V221-R242 PolarHBondContact N-O 3.04Å; R242-I244 HydrophobicContact CB-CD1 4.48Å; R242-I244 HydrophobicContact CG-CD1 4.24Å; R242-S265 CarbonylContact C-O 3.43Å; R242-S265 VanDerWaalsContact CA-O 3.3Å; R242-S265 WeakPolarHBondContact CA-O 3.42Å; R242-I267 HydrophobicContact CB-CD1 4.27Å
243V98.9Very high97Very high0 Ų048.5 Ų48.50%026%0.263CS..EExtended strand (participates in β ladder)trans-94.6125.8166.9-172.10000109.2V221 E223 L230 D233 L234 L237 V245 S265 I267V221-V243 HydrophobicContact CB-CB 4.4Å; V221-V243 HydrophobicContact CB-CG1 4.15Å; V221-V243 HydrophobicContact CB-CG2 4.17Å; V221-V243 HydrophobicContact CG1-CG1 4.21Å; V221-V243 HydrophobicContact CG2-CG2 4.5Å; V221-V243 CarbonylContact O-C 3.57Å; V221-V243 WeakPolarHBondContact O-CA 3.46Å; E223-V243 HydrophobicContact CB-CG1 3.77Å; L230-V243 HydrophobicContact CD1-CB 4.19Å; L230-V243 HydrophobicContact CD1-CG1 3.88Å; L230-V243 HydrophobicContact CD1-CG2 4.29Å; D233-V243 HydrophobicContact CB-CG1 4.43Å; D233-V243 HydrophobicContact CB-CG2 3.77Å; L234-V243 HydrophobicContact CD2-CG2 4.18Å; L237-V243 HydrophobicContact CD1-CG2 3.75Å; L237-V243 HydrophobicContact CD2-CG2 4.41Å; L237-V243 HydrophobicContact CG-CG2 4.24Å; V243-V245 HydrophobicContact CG1-CG2 4.44Å; V243-S265 PolarHBondContact N-O 2.76Å; V243-I267 PolarHBondContact O-N 2.9Å
244I98.9Very high96.9Very high0 Ų051.2 Ų51.20%028%0.277CS..EExtended strand (participates in β ladder)trans-99.8108.3172.1-47.9-51.5000108.7A139 A144 V220 V221 E223 R242 V246 I267 V269A139-I244 HydrophobicContact CB-CG2 3.94Å; A144-I244 HydrophobicContact CB-CD1 3.91Å; A144-I244 HydrophobicContact CB-CG1 3.81Å; V220-I244 HydrophobicContact CG1-CG1 4.25Å; V221-I244 PolarHBondContact O-N 3.3Å; E223-I244 PolarHBondContact N-O 3.36Å; R242-I244 HydrophobicContact CB-CD1 4.48Å; R242-I244 HydrophobicContact CG-CD1 4.24Å; I244-V246 HydrophobicContact CG2-CG2 4.43Å; I244-V246 PolarHBondContact O-N 3.05Å; I244-I267 CarbonylContact C-O 3.47Å; I244-I267 VanDerWaalsContact CA-O 3.32Å; I244-I267 WeakPolarHBondContact CA-O 3.44Å; I244-I267 HydrophobicContact CD1-CB 3.91Å; I244-I267 HydrophobicContact CD1-CD1 4.07Å; I244-I267 HydrophobicContact CD1-CG1 4.46Å; I244-I267 HydrophobicContact CD1-CG2 4.46Å; I244-V269 HydrophobicContact CG2-CB 3.95Å; I244-V269 HydrophobicContact CG2-CG1 3.62Å
245V98.7Very high96.9Very high29 Ų2954.6 Ų54.618%0.17630%0.295CS..EExtended strand (participates in β ladder)trans-80.6100.5-179.7179.40000109.1A226 L230 V243 C248 I266 I267 V269A226-V245 HydrophobicContact CB-CG1 3.73Å; A226-V245 HydrophobicContact CB-CG2 4.19Å; L230-V245 HydrophobicContact CD1-CG2 4.43Å; V243-V245 HydrophobicContact CG1-CG2 4.44Å; V245-C248 HydrophobicContact CG1-CB 4.37Å; V245-I266 HydrophobicContact CG2-CG2 3.88Å; V245-I267 PolarHBondContact N-O 3.22Å; V245-V269 PolarHBondContact O-N 2.89Å; V245-V269 VanDerWaalsContact O-N 3.11Å
246V98.1Very high97Very high35 Ų3554.7 Ų54.721%0.21230%0.304CS..  trans-91.1-39176.6-178.20000111T135 A139 V161 V222 E223 M224 I244 V269T135-V246 HydrophobicContact CG2-CG1 3.66Å; A139-V246 HydrophobicContact CB-CG2 4.23Å; V161-V246 HydrophobicContact CG1-CG1 4.34Å; V222-V246 HydrophobicContact CG1-CG2 3.63Å; E223-V246 WeakPolarHBondContact O-CA 3.14Å; E223-V246 WeakPolarHBondContact O-CB 3.38Å; E223-V246 PolarHBondContact O-N 2.88Å; M224-V246 HydrophobicContact CE-CB 4.42Å; M224-V246 HydrophobicContact CE-CG1 4.38Å; M224-V246 HydrophobicContact CE-CG2 4.34Å; M224-V246 HydrophobicContact SD-CB 3.77Å; M224-V246 HydrophobicContact SD-CG1 3.66Å; M224-V246 HydrophobicContact SD-CG2 4.32Å; I244-V246 HydrophobicContact CG2-CG2 4.43Å; I244-V246 PolarHBondContact O-N 3.05Å; V246-V269 HydrophobicContact CB-CG1 4.24Å; V246-V269 HydrophobicContact CG2-CG1 3.7Å
247G94.7Very high97Very high20 Ų2062.6 Ų62.621%0.20633%0.334CS..  trans-135.6140.1-177.600000112.8E223 M224 L225 A226E223-G247 PolarHBondContact O-N 3.06Å; E223-G247 VanDerWaalsContact O-N 3.09Å; M224-G247 CarbonylContact C-O 3.55Å; M224-G247 CarbonylContact O-C 3.59Å; M224-G247 VanDerWaalsContact O-CA 3.3Å; M224-G247 WeakPolarHBondContact O-CA 3.42Å; L225-G247 PolarHBondContact N-O 3.2Å; A226-G247 PolarHBondContact N-O 2.87Å
248C93.8Very high96.9Very high64 Ų6464.6 Ų64.643%0.43234%0.344SS..  trans-154.5137.4179-173.40000109.3A226 V245 G250A226-C248 HydrophobicContact CB-CB 4.31Å; V245-C248 HydrophobicContact CG1-CB 4.37Å; C248-G250 PolarHBondContact SG-O 3.13Å
249R90.6Very high96.9Very high120 Ų12065.9 Ų65.945%0.45335%0.352SS..  trans-127.611.9-176.3-58.9-179.1-175.9179.9-0.8113.5Y53 L225 N227Y53-R249 PolarHBondContact OH-NE 2.76Å; L225-R249 HydrophobicContact CD1-CB 4.44Å; L225-R249 HydrophobicContact CD1-CG 4.06Å; N227-R249 PolarHBondContact OD1-N 3.07Å
250G92.3Very high96.9Very high43 Ų4362.8 Ų62.844%0.44335%0.347SS..SBendtrans179.6-172.6-176.900000112.7N227 C248N227-G250 VanDerWaalsContact CB-O 3.27Å; N227-G250 WeakPolarHBondContact CB-O 3.33Å; C248-G250 PolarHBondContact SG-O 3.13Å
251S95.9Very high96.9Very high116 Ų11665.3 Ų65.381%0.81136%0.364SS*.  trans-84.9163.2170.252.90000111.4
252I97.4Very high96.8Very high56 Ų5668.6 Ų68.629%0.28738%0.378SS..  trans-145.3142.8171.5-177.6160.8000109.2A226 L230 N231A226-I252 WeakPolarHBondContact O-CD1 3.44Å; L230-I252 HydrophobicContact CB-CD1 4.28Å; L230-I252 HydrophobicContact CB-CG2 4.2Å; L230-I252 HydrophobicContact CD2-CG2 4.27Å; N231-I252 HydrophobicContact CB-CD1 4.32Å
253E97.6Very high96.8Very high180 Ų18072.8 Ų72.884%0.84140%0.399SS*.  trans-80.3129.8166.8-172.2-176.8151.500109.4N231N231-E253 WeakPolarHBondContact CB-O 3.47Å
254M95.9Very high96.8Very high58 Ų5873.4 Ų73.429%0.28640%0.403SS..  trans-135.815517759.5167.5-78.600111L230 N231 L234 P256 I266L230-M254 HydrophobicContact CD2-SD 4.07Å; N231-M254 HydrophobicContact CB-CB 4.2Å; N231-M254 WeakPolarHBondContact OD1-CA 3.44Å; L234-M254 HydrophobicContact CD1-CE 3.57Å; M254-P256 HydrophobicContact CE-CG 4.49Å; M254-P256 VanDerWaalsContact O-CD 3.32Å; M254-P256 WeakPolarHBondContact O-CD 3.44Å; M254-I266 HydrophobicContact CE-CD1 3.59Å; M254-I266 HydrophobicContact SD-CD1 3.9Å
255N97.3Very high96.8Very high71 Ų7176 Ų7638%0.3842%0.422SS..  trans-98.2105.2174.6-176.65.3000110.6N231 R257 D258N231-N255 PolarHBondContact OD1-N 3.19Å; N231-N255 VanDerWaalsContact OD1-N 3.16Å; N255-R257 PolarHBondContact O-N 3.09Å; N255-R257 VanDerWaalsContact O-N 3.08Å; N255-R257 WeakPolarHBondContact OD1-CB 3.34Å; N255-R257 PolarHBondContact OD1-N 3.2Å; N255-R257 VanDerWaalsContact OD1-N 3.1Å; N255-D258 PolarHBondContact ND2-OD1 3.19Å; N255-D258 WeakPolarHBondContact O-CB 3.35Å; N255-D258 PolarHBondContact O-N 2.93Å
256P97.9Very high96.8Very high82 Ų8277.8 Ų77.853%0.53243%0.429SS..THydrogen-bonded Turntrans-61.1-20.1178.6-23.735.5000113.6M254 D258 T259M254-P256 HydrophobicContact CE-CG 4.49Å; M254-P256 VanDerWaalsContact O-CD 3.32Å; M254-P256 WeakPolarHBondContact O-CD 3.44Å; P256-D258 PolarHBondContact O-N 3.37Å; P256-T259 PolarHBondContact O-N 3Å; P256-T259 PolarHBondContact O-OG1 3.49Å
257R97.9Very high96.8Very high168 Ų16878.7 Ų78.763%0.63443%0.433SS*.Hα-helixtrans-59.8-28.8174.2-172.6174.6-66.2-77.8-1.3112.4N255 T259 M260N255-R257 PolarHBondContact O-N 3.09Å; N255-R257 VanDerWaalsContact O-N 3.08Å; N255-R257 WeakPolarHBondContact OD1-CB 3.34Å; N255-R257 PolarHBondContact OD1-N 3.2Å; N255-R257 VanDerWaalsContact OD1-N 3.1Å; R257-T259 PolarHBondContact O-N 2.94Å; R257-M260 HydrophobicContact CB-SD 4.4Å; R257-M260 HydrophobicContact CG-SD 4.32Å; R257-M260 PolarHBondContact O-N 3.42Å; R257-M260 VanDerWaalsContact O-N 3.12Å
258D97Very high97Very high43 Ų4380.6 Ų80.623%0.2345%0.452CS..Hα-helixtrans-65.5-17.3179-65.8-6.5000111.9L234 K235 N255 P256L234-D258 HydrophobicContact CB-CB 4Å; L234-D258 HydrophobicContact CD1-CB 4.39Å; K235-D258 WeakPolarHBondContact CE-OD2 3.18Å; N255-D258 PolarHBondContact ND2-OD1 3.19Å; N255-D258 WeakPolarHBondContact O-CB 3.35Å; N255-D258 PolarHBondContact O-N 2.93Å; P256-D258 PolarHBondContact O-N 3.37Å
259T98.3Very high97.1Very high33 Ų3378.6 Ų78.620%0.20244%0.438CS..Hα-helixtrans-88-23.6174.673.90000114L234 P256 R257 E263 T264L234-T259 HydrophobicContact CD1-CG2 3.99Å; L234-T259 HydrophobicContact CD2-CG2 4.06Å; P256-T259 PolarHBondContact O-N 3Å; P256-T259 PolarHBondContact O-OG1 3.49Å; R257-T259 PolarHBondContact O-N 2.94Å; T259-E263 VanDerWaalsContact O-CA 3.26Å; T259-E263 WeakPolarHBondContact O-CA 3.36Å; T259-E263 PolarHBondContact O-N 2.82Å; T259-T264 VanDerWaalsContact CA-OG1 3.24Å; T259-T264 WeakPolarHBondContact CA-OG1 3.37Å; T259-T264 WeakPolarHBondContact CB-OG1 3.35Å; T259-T264 PolarHBondContact O-N 3.19Å
260M98.4Very high97.3Very high124 Ų12475 Ų7561%0.61143%0.431SS*.Hα-helixtrans-71.2-53.4-166.5-63.3172.364.100112.8R257 K262 E263R257-M260 HydrophobicContact CB-SD 4.4Å; R257-M260 HydrophobicContact CG-SD 4.32Å; R257-M260 PolarHBondContact O-N 3.42Å; R257-M260 VanDerWaalsContact O-N 3.12Å; M260-K262 VanDerWaalsContact C-N 3.32Å; M260-K262 PolarHBondContact O-N 3.38Å; M260-E263 PolarHBondContact O-N 3.13Å
261A97Very high97.5Very high93 Ų9373.3 Ų73.377%0.76941%0.412SS*.THydrogen-bonded Turntrans-69.8-30.8-17400000113
262K97.8Very high97.2Very high69 Ų6971.6 Ų71.630%0.339%0.39SS..THydrogen-bonded Turntrans-93.5-5.7178.2-65.9178.7178.3-176.60112.5K235 L237 R239 G240 M260 T264K235-K262 PolarHBondContact O-NZ 3.23Å; L237-K262 VanDerWaalsContact O-CD 3.31Å; L237-K262 WeakPolarHBondContact O-CD 3.46Å; L237-K262 WeakPolarHBondContact O-CE 3.32Å; L237-K262 PolarHBondContact O-NZ 3.05Å; R239-K262 CarbonylContact C-O 3.52Å; R239-K262 WeakPolarHBondContact CA-O 3.46Å; G240-K262 PolarHBondContact N-O 3.2Å; M260-K262 VanDerWaalsContact C-N 3.32Å; M260-K262 PolarHBondContact O-N 3.38Å; K262-T264 VanDerWaalsContact C-N 3.27Å; K262-T264 HydrophobicContact CB-CG2 3.57Å; K262-T264 HydrophobicContact CD-CG2 4.47Å; K262-T264 PolarHBondContact O-N 3.36Å
263E98.4Very high97Very high124 Ų12472.8 Ų72.858%0.57940%0.403SS*.THydrogen-bonded Turntrans52.844.8-177.5-55.9175.8116.100111.9R239 T259 M260R239-E263 IonicContact CZ-OE2 2.59Å; R239-E263 IonicContact NE-OE2 3.38Å; R239-E263 PolarHBondContact NE-OE2 3.39Å; R239-E263 IonicContact NH2-OE2 2.64Å; R239-E263 PolarHBondContact NH2-OE2 3.11Å; T259-E263 VanDerWaalsContact O-CA 3.26Å; T259-E263 WeakPolarHBondContact O-CA 3.36Å; T259-E263 PolarHBondContact O-N 2.82Å; M260-E263 PolarHBondContact O-N 3.13Å
264T98.8Very high96.9Very high14 Ų1465 Ų659%0.08637%0.368CS..  trans-87.6159.7-17458.40000113L237 S238 G241 T259 K262L237-T264 HydrophobicContact CB-CG2 3.69Å; L237-T264 HydrophobicContact CD1-CG2 3.63Å; L237-T264 HydrophobicContact CG-CG2 4.34Å; S238-T264 WeakPolarHBondContact O-CG2 3.41Å; G241-T264 WeakPolarHBondContact O-CA 3.42Å; G241-T264 WeakPolarHBondContact O-CB 3.41Å; G241-T264 WeakPolarHBondContact O-CG2 3.23Å; T259-T264 VanDerWaalsContact CA-OG1 3.24Å; T259-T264 WeakPolarHBondContact CA-OG1 3.37Å; T259-T264 WeakPolarHBondContact CB-OG1 3.35Å; T259-T264 PolarHBondContact O-N 3.19Å; K262-T264 VanDerWaalsContact C-N 3.27Å; K262-T264 HydrophobicContact CB-CG2 3.57Å; K262-T264 HydrophobicContact CD-CG2 4.47Å; K262-T264 PolarHBondContact O-N 3.36Å
265S98.8Very high96.9Very high55 Ų5565.3 Ų65.339%0.38537%0.374SS..EExtended strand (participates in β ladder)trans-118.1146.1-179.4-62.90000112.9G241 R242 V243G241-S265 PolarHBondContact O-N 2.9Å; R242-S265 CarbonylContact C-O 3.43Å; R242-S265 VanDerWaalsContact CA-O 3.3Å; R242-S265 WeakPolarHBondContact CA-O 3.42Å; V243-S265 PolarHBondContact N-O 2.76Å
266I98.8Very high96.7Very high66 Ų6668.1 Ų68.134%0.33838%0.383SS..EExtended strand (participates in β ladder)trans-116.5118.8168.1-54.9171.5000107L230 L234 V245 M254L230-I266 HydrophobicContact CD1-CD1 4.28Å; L230-I266 HydrophobicContact CD1-CG1 4.39Å; L230-I266 HydrophobicContact CD1-CG2 4.03Å; L230-I266 HydrophobicContact CD2-CD1 4.38Å; L230-I266 HydrophobicContact CD2-CG2 4.36Å; L234-I266 HydrophobicContact CD1-CD1 4.18Å; L234-I266 HydrophobicContact CD2-CD1 3.94Å; L234-I266 HydrophobicContact CD2-CG1 3.85Å; V245-I266 HydrophobicContact CG2-CG2 3.88Å; M254-I266 HydrophobicContact CE-CD1 3.59Å; M254-I266 HydrophobicContact SD-CD1 3.9Å
267I98.8Very high96.5Very high54 Ų5470 Ų7028%0.27739%0.385SS..EExtended strand (participates in β ladder)trans-128.4119.4-169.9-55.5170000108.9R242 V243 I244 V245R242-I267 HydrophobicContact CB-CD1 4.27Å; V243-I267 PolarHBondContact O-N 2.9Å; I244-I267 CarbonylContact C-O 3.47Å; I244-I267 VanDerWaalsContact CA-O 3.32Å; I244-I267 WeakPolarHBondContact CA-O 3.44Å; I244-I267 HydrophobicContact CD1-CB 3.91Å; I244-I267 HydrophobicContact CD1-CD1 4.07Å; I244-I267 HydrophobicContact CD1-CG1 4.46Å; I244-I267 HydrophobicContact CD1-CG2 4.46Å; V245-I267 PolarHBondContact N-O 3.22Å
268G98.3Very high96.5Very high60 Ų6063.7 Ų63.762%0.61936%0.362SS*.EExtended strand (participates in β ladder)trans-73.9147.4171.300000111.9
269V96.7Very high96.5Very high22 Ų2263.2 Ų63.213%0.13336%0.358CS..  trans-130.3134.8171.866.70000111.4R138 A139 S143 I244 V245 V246R138-V269 HydrophobicContact CB-CG2 4.19Å; R138-V269 HydrophobicContact CG-CG2 3.67Å; A139-V269 HydrophobicContact CB-CG1 4.34Å; S143-V269 WeakPolarHBondContact OG-CG2 3.33Å; I244-V269 HydrophobicContact CG2-CB 3.95Å; I244-V269 HydrophobicContact CG2-CG1 3.62Å; V245-V269 PolarHBondContact O-N 2.89Å; V245-V269 VanDerWaalsContact O-N 3.11Å; V246-V269 HydrophobicContact CB-CG1 4.24Å; V246-V269 HydrophobicContact CG2-CG1 3.7Å
270S94.4Very high96.3Very high44 Ų4468 Ų6831%0.30838%0.378SS..  trans-130.8121.6171.2170.60000108.1R138 F272 S273R138-S270 WeakPolarHBondContact CD-O 3.39Å; R138-S270 PolarHBondContact NE-O 3.39Å; R138-S270 VanDerWaalsContact NE-O 3.1Å; S270-F272 VanDerWaalsContact C-N 3.26Å; S270-F272 PolarHBondContact O-N 3.47Å; S270-S273 WeakPolarHBondContact O-CB 3.27Å; S270-S273 PolarHBondContact O-N 3.27Å; S270-S273 VanDerWaalsContact O-N 3.16Å
271L95.3Very high96.3Very high8 Ų867.5 Ų67.54%0.04237%0.374CS..G310 helixtrans-60.5-38.3-179.517557.9000111.8I131 F134 S273 S274 F279I131-L271 HydrophobicContact CD1-CD2 3.68Å; F134-L271 HydrophobicContact CB-CD1 3.71Å; F134-L271 HydrophobicContact CB-CD2 3.64Å; F134-L271 HydrophobicContact CB-CG 4.35Å; L271-S273 PolarHBondContact O-N 2.93Å; L271-S274 VanDerWaalsContact O-CB 3.29Å; L271-S274 WeakPolarHBondContact O-CB 3.42Å; L271-S274 PolarHBondContact O-N 2.86Å; L271-S274 PolarHBondContact O-OG 3.26Å; L271-F279 HydrophobicContact CD1-CE1 3.85Å; L271-F279 HydrophobicContact CD1-CZ 3.82Å; L271-F279 HydrophobicContact CD2-CE1 4.45Å; L271-F279 HydrophobicContact CG-CE1 4.17Å; L271-F279 HydrophobicContact CG-CZ 3.89Å
272F91Very high96.4Very high79 Ų7963.2 Ų63.235%0.34634%0.338SS..G310 helixtrans-73.6-4.9-179.2-63.4-67.7000114.1T71 I131 S270T71-F272 HydrophobicContact CG2-CZ 4.45Å; I131-F272 HydrophobicContact CD1-CE1 4.3Å; I131-F272 HydrophobicContact CD1-CE2 4.1Å; I131-F272 HydrophobicContact CD1-CZ 3.6Å; S270-F272 VanDerWaalsContact C-N 3.26Å; S270-F272 PolarHBondContact O-N 3.47Å
273S93.7Very high96.4Very high81 Ų8160.4 Ų60.457%0.56633%0.328SS*.G310 helixtrans-80.7-1.5167.4-59.60000112.8S270 L271S270-S273 WeakPolarHBondContact O-CB 3.27Å; S270-S273 PolarHBondContact O-N 3.27Å; S270-S273 VanDerWaalsContact O-N 3.16Å; L271-S273 PolarHBondContact O-N 2.93Å
274S95.6Very high96.4Very high16 Ų1656.2 Ų56.211%0.11232%0.318CS..  trans-72.8143.3-179.5-47.40000112.1R138 L271 E278R138-S274 WeakPolarHBondContact CD-OG 3.24Å; R138-S274 VanDerWaalsContact NH1-CA 3.35Å; R138-S274 PolarHBondContact NH1-OG 3.1Å; L271-S274 VanDerWaalsContact O-CB 3.29Å; L271-S274 WeakPolarHBondContact O-CB 3.42Å; L271-S274 PolarHBondContact O-N 2.86Å; L271-S274 PolarHBondContact O-OG 3.26Å; S274-E278 WeakPolarHBondContact CA-OE2 3.49Å
275T95.6Very high96.4Very high66 Ų6657.1 Ų57.141%0.40532%0.322SS..  trans-73.5169.8168.681.70000110.9E277 E278 F279T275-E277 VanDerWaalsContact C-N 3.26Å; T275-E277 WeakPolarHBondContact CB-OE2 3.38Å; T275-E277 PolarHBondContact O-N 3.39Å; T275-E277 PolarHBondContact OG1-N 2.72Å; T275-E277 PolarHBondContact OG1-OE2 2.86Å; T275-E278 PolarHBondContact N-OE2 3Å; T275-E278 PolarHBondContact O-N 3.14Å; T275-E278 PolarHBondContact OG1-N 3.38Å; T275-F279 WeakPolarHBondContact O-CD2 3.27Å; T275-F279 PolarHBondContact O-N 3.16Å
276K91.6Very high96.4Very high130 Ų13054.6 Ų54.657%0.56530%0.304SS*.Hα-helixtrans-61.7-39175.4-73-176.7175.9-179.70111.4F279 Q280K276-F279 PolarHBondContact O-N 2.94Å; K276-Q280 WeakPolarHBondContact O-CG 3.44Å; K276-Q280 PolarHBondContact O-N 2.94Å
277E94.4Very high96.4Very high122 Ų12253.7 Ų53.757%0.5730%0.299SS*.Hα-helixtrans-65.9-41.2179.9-57.468.6-144.800110.6T275 Q280 Q281T275-E277 VanDerWaalsContact C-N 3.26Å; T275-E277 WeakPolarHBondContact CB-OE2 3.38Å; T275-E277 PolarHBondContact O-N 3.39Å; T275-E277 PolarHBondContact OG1-N 2.72Å; T275-E277 PolarHBondContact OG1-OE2 2.86Å; E277-Q280 PolarHBondContact O-N 3.38Å; E277-Q281 WeakPolarHBondContact O-CB 3.49Å; E277-Q281 PolarHBondContact O-N 2.88Å
278E97.6Very high96.3Very high34 Ų3454 Ų5416%0.15930%0.303CS..Hα-helixtrans-65-42.1174.5-68.9-179.4142.300111.8R138 H142 S274 T275 Q280 Q281 F282R138-E278 IonicContact CZ-OE2 3.72Å; R138-E278 IonicContact NH1-OE1 3.89Å; R138-E278 IonicContact NH1-OE2 2.77Å; R138-E278 PolarHBondContact NH1-OE2 2.87Å; R138-E278 IonicContact NH2-OE2 3.09Å; H142-E278 IonicContact CE1-OE1 3.57Å; H142-E278 PolarHBondContact CE1-OE1 2.99Å; H142-E278 IonicContact CG-OE1 3.39Å; H142-E278 IonicContact ND1-OE1 3.5Å; H142-E278 PolarHBondContact ND1-OE1 2.88Å; S274-E278 WeakPolarHBondContact CA-OE2 3.49Å; T275-E278 PolarHBondContact N-OE2 3Å; T275-E278 PolarHBondContact O-N 3.14Å; T275-E278 PolarHBondContact OG1-N 3.38Å; E278-Q280 VanDerWaalsContact C-N 3.33Å; E278-Q280 PolarHBondContact O-N 2.87Å; E278-Q281 PolarHBondContact O-N 2.94Å; E278-F282 HydrophobicContact CB-CE2 4.01Å; E278-F282 HydrophobicContact CB-CZ 4.14Å; E278-F282 WeakPolarHBondContact O-CD2 3.48Å; E278-F282 WeakPolarHBondContact O-CG 3.41Å; E278-F282 PolarHBondContact O-N 2.86Å
279F97.2Very high96.3Very high34 Ų3451.1 Ų51.115%0.14927%0.273CS..Hα-helixtrans-59.2-43.8173-94.4-73.5000112F134 L271 T275 K276 F282 A283F134-F279 AromaticContact CD1-CD1 3.57Å; F134-F279 HydrophobicContact CD1-CD1 3.57Å; F134-F279 AromaticContact CD1-CE1 3.87Å; F134-F279 HydrophobicContact CD1-CE1 3.87Å; F134-F279 AromaticContact CE1-CD1 3.78Å; F134-F279 HydrophobicContact CE1-CD1 3.78Å; F134-F279 HydrophobicContact CE1-CE1 4.43Å; F134-F279 HydrophobicContact CG-CE1 4.47Å; L271-F279 HydrophobicContact CD1-CE1 3.85Å; L271-F279 HydrophobicContact CD1-CZ 3.82Å; L271-F279 HydrophobicContact CD2-CE1 4.45Å; L271-F279 HydrophobicContact CG-CE1 4.17Å; L271-F279 HydrophobicContact CG-CZ 3.89Å; T275-F279 WeakPolarHBondContact O-CD2 3.27Å; T275-F279 PolarHBondContact O-N 3.16Å; K276-F279 PolarHBondContact O-N 2.94Å; F279-F282 PolarHBondContact O-N 3.04Å; F279-A283 WeakPolarHBondContact O-CB 3.37Å; F279-A283 PolarHBondContact O-N 2.92Å
280Q95.3Very high96.4Very high132 Ų13250.3 Ų50.362%0.61727%0.268SS*.Hα-helixtrans-62.8-41.9176.2-72.8172.2-1000112K276 E277 E278 A283 G284K276-Q280 WeakPolarHBondContact O-CG 3.44Å; K276-Q280 PolarHBondContact O-N 2.94Å; E277-Q280 PolarHBondContact O-N 3.38Å; E278-Q280 VanDerWaalsContact C-N 3.33Å; E278-Q280 PolarHBondContact O-N 2.87Å; Q280-A283 PolarHBondContact O-N 3.39Å; Q280-G284 PolarHBondContact O-N 3.45Å
281Q97.8Very high96.6Very high115 Ų11555.4 Ų55.454%0.53729%0.287SS..Hα-helixtrans-60.3-48.7175.5-176.3-175.23.800111.4E277 E278 A283 G284 I285E277-Q281 WeakPolarHBondContact O-CB 3.49Å; E277-Q281 PolarHBondContact O-N 2.88Å; E278-Q281 PolarHBondContact O-N 2.94Å; Q281-A283 VanDerWaalsContact C-N 3.34Å; Q281-A283 PolarHBondContact O-N 3.48Å; Q281-G284 PolarHBondContact O-N 2.85Å; Q281-I285 HydrophobicContact CG-CD1 4.47Å; Q281-I285 WeakPolarHBondContact O-CG1 3.36Å; Q281-I285 PolarHBondContact O-N 2.78Å; Q281-I285 VanDerWaalsContact O-N 3.13Å
282F98.6Very high96.7Very high2 Ų262.7 Ų62.71%0.00932%0.319CS..Hα-helixtrans-64.1-40.4178.6-56.2-29.6000111.4F134 C137 R138 H142 E278 F279 G284 I285 L286F134-F282 HydrophobicContact CD1-CB 3.76Å; F134-F282 HydrophobicContact CD1-CD2 4.42Å; F134-F282 HydrophobicContact CE1-CB 4.02Å; C137-F282 HydrophobicContact CB-CB 3.96Å; C137-F282 HydrophobicContact CB-CD1 3.76Å; C137-F282 HydrophobicContact CB-CE1 4.44Å; C137-F282 HydrophobicContact CB-CG 3.82Å; R138-F282 HydrophobicContact CB-CE2 3.78Å; R138-F282 HydrophobicContact CB-CZ 3.94Å; R138-F282 HydrophobicContact CG-CE2 4.09Å; R138-F282 HydrophobicContact CG-CZ 4.11Å; H142-F282 HydrophobicContact CB-CZ 4.19Å; E278-F282 HydrophobicContact CB-CE2 4.01Å; E278-F282 HydrophobicContact CB-CZ 4.14Å; E278-F282 WeakPolarHBondContact O-CD2 3.48Å; E278-F282 WeakPolarHBondContact O-CG 3.41Å; E278-F282 PolarHBondContact O-N 2.86Å; F279-F282 PolarHBondContact O-N 3.04Å; F282-G284 VanDerWaalsContact C-N 3.33Å; F282-G284 PolarHBondContact O-N 3.39Å; F282-I285 PolarHBondContact O-N 3.02Å; F282-L286 VanDerWaalsContact O-CG 3.3Å; F282-L286 WeakPolarHBondContact O-CG 3.49Å; F282-L286 PolarHBondContact O-N 2.9Å
283A98.1Very high97Very high11 Ų1160.4 Ų60.49%0.09132%0.317CS..Hα-helixtrans-59-43.4174.700000111.8Y115 F134 F279 Q280 Q281 I285 L286 Q287Y115-A283 HydrophobicContact CD1-CB 3.64Å; Y115-A283 HydrophobicContact CE1-CB 3.43Å; Y115-A283 VanDerWaalsContact CE1-CB 3.43Å; F134-A283 HydrophobicContact CE1-CB 4.04Å; F134-A283 HydrophobicContact CZ-CB 3.9Å; F279-A283 WeakPolarHBondContact O-CB 3.37Å; F279-A283 PolarHBondContact O-N 2.92Å; Q280-A283 PolarHBondContact O-N 3.39Å; Q281-A283 VanDerWaalsContact C-N 3.34Å; Q281-A283 PolarHBondContact O-N 3.48Å; A283-I285 PolarHBondContact O-N 2.85Å; A283-L286 PolarHBondContact O-N 2.83Å; A283-Q287 WeakPolarHBondContact O-CB 3.39Å; A283-Q287 VanDerWaalsContact O-CG 3.3Å; A283-Q287 WeakPolarHBondContact O-CG 3.2Å; A283-Q287 PolarHBondContact O-N 3.1Å
284G98.3Very high97.2Very high36 Ų3659.1 Ų59.137%0.37130%0.3SS..Hα-helixtrans-61.5-41.5176.700000113.5Q280 Q281 F282 L286 T288Q280-G284 PolarHBondContact O-N 3.45Å; Q281-G284 PolarHBondContact O-N 2.85Å; F282-G284 VanDerWaalsContact C-N 3.33Å; F282-G284 PolarHBondContact O-N 3.39Å; G284-L286 VanDerWaalsContact C-N 3.35Å; G284-T288 WeakPolarHBondContact O-CB 3.36Å; G284-T288 PolarHBondContact O-N 2.83Å; G284-T288 PolarHBondContact O-OG1 3.24Å
285I98.4Very high97.3Very high33 Ų3358.5 Ų58.517%0.16930%0.295CS..Hα-helixtrans-61.4-45.3174.7-66.1167.3000110.4F141 Q281 F282 A283 G289 W294F141-I285 HydrophobicContact CD2-CD1 3.84Å; F141-I285 HydrophobicContact CE2-CD1 3.96Å; F141-I285 HydrophobicContact CE2-CG2 4.14Å; Q281-I285 HydrophobicContact CG-CD1 4.47Å; Q281-I285 WeakPolarHBondContact O-CG1 3.36Å; Q281-I285 PolarHBondContact O-N 2.78Å; Q281-I285 VanDerWaalsContact O-N 3.13Å; F282-I285 PolarHBondContact O-N 3.02Å; A283-I285 PolarHBondContact O-N 2.85Å; I285-G289 PolarHBondContact O-N 2.96Å; I285-W294 HydrophobicContact CG2-CH2 4.07Å; I285-W294 HydrophobicContact CG2-CZ2 4.37Å
286L98.7Very high97.4Very high1 Ų161.4 Ų61.41%0.00530%0.302CS..Hα-helixtrans-71.2-38.8-177.9-65.2176.1000112.6Y133 F134 I168 F282 A283 G284 G289 M290 V295Y133-L286 HydrophobicContact CD1-CD2 3.82Å; Y133-L286 HydrophobicContact CG-CD2 4.21Å; F134-L286 HydrophobicContact CD2-CD1 3.51Å; F134-L286 HydrophobicContact CE2-CD1 3.48Å; F134-L286 VanDerWaalsContact CE2-CD1 3.48Å; F134-L286 HydrophobicContact CG-CD1 4.11Å; F134-L286 HydrophobicContact CZ-CD1 4.05Å; I168-L286 HydrophobicContact CD1-CD2 4.3Å; F282-L286 VanDerWaalsContact O-CG 3.3Å; F282-L286 WeakPolarHBondContact O-CG 3.49Å; F282-L286 PolarHBondContact O-N 2.9Å; A283-L286 PolarHBondContact O-N 2.83Å; G284-L286 VanDerWaalsContact C-N 3.35Å; L286-G289 CarbonylContact O-C 3.6Å; L286-G289 WeakPolarHBondContact O-CA 3.21Å; L286-G289 PolarHBondContact O-N 3.14Å; L286-G289 VanDerWaalsContact O-N 3.11Å; L286-M290 WeakPolarHBondContact O-CG 3.23Å; L286-M290 PolarHBondContact O-N 3.22Å; L286-V295 HydrophobicContact CD2-CG2 4.15Å
287Q98.3Very high97.7Very high48 Ų4855.4 Ų55.422%0.22428%0.277CS..Hα-helixtrans-58.7-51172.8-72.9-66.4-0.900110.9T116 A283 G289 M290 E291T116-Q287 PolarHBondContact O-NE2 2.84Å; A283-Q287 WeakPolarHBondContact O-CB 3.39Å; A283-Q287 VanDerWaalsContact O-CG 3.3Å; A283-Q287 WeakPolarHBondContact O-CG 3.2Å; A283-Q287 PolarHBondContact O-N 3.1Å; Q287-G289 PolarHBondContact O-N 3.11Å; Q287-M290 VanDerWaalsContact CD-CE 3.46Å; Q287-M290 HydrophobicContact CG-CE 4.27Å; Q287-M290 PolarHBondContact O-N 3.26Å; Q287-M290 VanDerWaalsContact O-N 3.13Å; Q287-E291 WeakPolarHBondContact O-CG 3.26Å; Q287-E291 PolarHBondContact O-N 3.12Å
288T98.3Very high97.9Very high59 Ų5951.3 Ų51.336%0.36226%0.26SS..Hα-helixtrans-55.6-37.7173.9-56.90000111.4G284 K292G284-T288 WeakPolarHBondContact O-CB 3.36Å; G284-T288 PolarHBondContact O-N 2.83Å; G284-T288 PolarHBondContact O-OG1 3.24Å; T288-K292 HydrophobicContact CG2-CD 4.04Å; T288-K292 HydrophobicContact CG2-CG 4.44Å; T288-K292 WeakPolarHBondContact O-CB 3.27Å; T288-K292 WeakPolarHBondContact O-CG 3.37Å; T288-K292 PolarHBondContact O-N 2.99Å
289G98.6Very high97.9Very high0 Ų051.7 Ų51.70%026%0.263CS..Hα-helixtrans-72-34179.800000115.4I285 L286 Q287 G293 W294 V295I285-G289 PolarHBondContact O-N 2.96Å; L286-G289 CarbonylContact O-C 3.6Å; L286-G289 WeakPolarHBondContact O-CA 3.21Å; L286-G289 PolarHBondContact O-N 3.14Å; L286-G289 VanDerWaalsContact O-N 3.11Å; Q287-G289 PolarHBondContact O-N 3.11Å; G289-G293 CarbonylContact O-C 3.59Å; G289-G293 PolarHBondContact O-N 2.64Å; G289-W294 VanDerWaalsContact CA-NE1 3.35Å; G289-W294 PolarHBondContact O-N 3.34Å; G289-V295 PolarHBondContact O-N 2.59Å
290M98.6Very high97.9Very high6 Ų651.3 Ų51.33%0.0327%0.269CS..Hα-helixtrans-70.1-41.9172.2-66.6-175.9-66.500110.7F94 P118 L121 L129 L286 Q287 G293 V295F94-M290 HydrophobicContact CE1-CE 4Å; F94-M290 HydrophobicContact CE1-SD 4.42Å; F94-M290 HydrophobicContact CZ-CE 4.43Å; P118-M290 HydrophobicContact CG-CB 3.94Å; P118-M290 HydrophobicContact CG-CE 4.49Å; P118-M290 HydrophobicContact CG-SD 4.08Å; L121-M290 HydrophobicContact CD1-CB 4.32Å; L121-M290 HydrophobicContact CD1-CG 3.76Å; L121-M290 HydrophobicContact CD1-SD 3.54Å; L121-M290 VanDerWaalsContact CD1-SD 3.54Å; L129-M290 HydrophobicContact CD1-SD 3.59Å; L129-M290 VanDerWaalsContact CD1-SD 3.59Å; L129-M290 HydrophobicContact CD2-SD 4.2Å; L286-M290 WeakPolarHBondContact O-CG 3.23Å; L286-M290 PolarHBondContact O-N 3.22Å; Q287-M290 VanDerWaalsContact CD-CE 3.46Å; Q287-M290 HydrophobicContact CG-CE 4.27Å; Q287-M290 PolarHBondContact O-N 3.26Å; Q287-M290 VanDerWaalsContact O-N 3.13Å; M290-G293 PolarHBondContact O-N 3Å; M290-G293 VanDerWaalsContact O-N 3.11Å; M290-V295 HydrophobicContact CG-CB 3.76Å; M290-V295 HydrophobicContact CG-CG1 3.58Å; M290-V295 HydrophobicContact CG-CG2 4.48Å
291E97.3Very high98Very high151 Ų15147 Ų4771%0.70625%0.253SS*.Hα-helixtrans-61.9-46.3176.1-71.3173.5-179.300112.3Q287 G293Q287-E291 WeakPolarHBondContact O-CG 3.26Å; Q287-E291 PolarHBondContact O-N 3.12Å; E291-G293 PolarHBondContact O-N 3.04Å
292K97.5Very high98Very high161 Ų16146 Ų4670%0.725%0.248SC*.THydrogen-bonded Turntrans-76.2-6175.7-67.7-174.8-179.7-176.90113.3T288 W294T288-K292 HydrophobicContact CG2-CD 4.04Å; T288-K292 HydrophobicContact CG2-CG 4.44Å; T288-K292 WeakPolarHBondContact O-CB 3.27Å; T288-K292 WeakPolarHBondContact O-CG 3.37Å; T288-K292 PolarHBondContact O-N 2.99Å; K292-W294 VanDerWaalsContact C-N 3.35Å; K292-W294 PolarHBondContact O-N 3.45Å
293G97.8Very high98Very high30 Ų3047.7 Ų47.731%0.30926%0.255SS..THydrogen-bonded Turntrans70.420.2176.400000115.2G289 M290 E291 K296G289-G293 CarbonylContact O-C 3.59Å; G289-G293 PolarHBondContact O-N 2.64Å; M290-G293 PolarHBondContact O-N 3Å; M290-G293 VanDerWaalsContact O-N 3.11Å; E291-G293 PolarHBondContact O-N 3.04Å; G293-K296 WeakPolarHBondContact O-CE 3.47Å; G293-K296 WeakPolarHBondContact O-CG 3.34Å
294W97.9Very high98Very high55 Ų5550.2 Ų50.221%0.20827%0.27CS..  trans-92.5-18.2171.761.2-104.1000112.9Q167 I168 A171 H172 I285 G289 K292 K296Q167-W294 PolarHBondContact OE1-O 3.12Å; I168-W294 HydrophobicContact CB-CZ3 4.26Å; I168-W294 HydrophobicContact CG1-CH2 4.2Å; I168-W294 HydrophobicContact CG1-CZ3 3.62Å; A171-W294 HydrophobicContact CB-CB 4.13Å; A171-W294 HydrophobicContact CB-CD2 3.45Å; A171-W294 VanDerWaalsContact CB-CD2 3.45Å; A171-W294 HydrophobicContact CB-CE3 3.74Å; A171-W294 HydrophobicContact CB-CG 3.63Å; A171-W294 HydrophobicContact CB-CZ3 4.42Å; H172-W294 AromaticContact CE1-CH2 3.97Å; H172-W294 AromaticContact CE1-CZ2 3.92Å; I285-W294 HydrophobicContact CG2-CH2 4.07Å; I285-W294 HydrophobicContact CG2-CZ2 4.37Å; G289-W294 VanDerWaalsContact CA-NE1 3.35Å; G289-W294 PolarHBondContact O-N 3.34Å; K292-W294 VanDerWaalsContact C-N 3.35Å; K292-W294 PolarHBondContact O-N 3.45Å; W294-K296 PolarHBondContact O-N 2.88Å
295V98.6Very high98Very high2 Ų248.6 Ų48.61%0.01225%0.253CS..  trans-82.7104.1164.1173.50000108.2L129 Y133 L286 G289 M290 P297L129-V295 HydrophobicContact CD2-CG1 3.49Å; L129-V295 VanDerWaalsContact CD2-CG1 3.49Å; Y133-V295 HydrophobicContact CD1-CG1 4.06Å; Y133-V295 HydrophobicContact CD1-CG2 4.37Å; Y133-V295 HydrophobicContact CE1-CB 4.35Å; Y133-V295 HydrophobicContact CE1-CG1 3.69Å; Y133-V295 HydrophobicContact CE1-CG2 4.26Å; L286-V295 HydrophobicContact CD2-CG2 4.15Å; G289-V295 PolarHBondContact O-N 2.59Å; M290-V295 HydrophobicContact CG-CB 3.76Å; M290-V295 HydrophobicContact CG-CG1 3.58Å; M290-V295 HydrophobicContact CG-CG2 4.48Å; V295-P297 HydrophobicContact CG1-CG 4.34Å
296K97Very high98Very high127 Ų12751.5 Ų51.555%0.55227%0.266SS*.  trans-130.984177.5-62.1-168.7-169.8-171.60110Q167 G293 W294 V298Q167-K296 PolarHBondContact NE2-O 2.79Å; G293-K296 WeakPolarHBondContact O-CE 3.47Å; G293-K296 WeakPolarHBondContact O-CG 3.34Å; W294-K296 PolarHBondContact O-N 2.88Å; K296-V298 PolarHBondContact O-N 3.21Å
297P98.3Very high98Very high5 Ų557.3 Ų57.33%0.03229%0.291CS..  trans-57.1134.3-177.4-22.633.3000111.7Q125 A128 L129 Y133 V295Q125-P297 HydrophobicContact CB-CB 4.1Å; Q125-P297 HydrophobicContact CB-CG 4.23Å; Q125-P297 PolarHBondContact NE2-O 3.32Å; Q125-P297 WeakPolarHBondContact O-CB 3.25Å; Q125-P297 WeakPolarHBondContact O-CG 3.44Å; A128-P297 HydrophobicContact CB-CB 3.65Å; L129-P297 HydrophobicContact CD2-CG 3.44Å; L129-P297 VanDerWaalsContact CD2-CG 3.44Å; L129-P297 HydrophobicContact CG-CG 3.84Å; Y133-P297 HydrophobicContact CE2-CB 4.04Å; Y133-P297 HydrophobicContact CE2-CG 3.89Å; Y133-P297 VanDerWaalsContact OH-CA 3.25Å; Y133-P297 WeakPolarHBondContact OH-CA 3.37Å; V295-P297 HydrophobicContact CG1-CG 4.34Å
298V98.1Very high98Very high36 Ų3655.1 Ų55.122%0.21828%0.281CS..  trans-104123.9179.4-178.60000109.5L163 L188 N192 K296 K324L163-V298 HydrophobicContact CD1-CB 3.84Å; L163-V298 HydrophobicContact CD1-CG1 4.32Å; L163-V298 HydrophobicContact CD1-CG2 4.17Å; L188-V298 HydrophobicContact CD1-CG1 3.81Å; L188-V298 HydrophobicContact CD1-CG2 4.3Å; L188-V298 HydrophobicContact CD2-CG1 4.05Å; L188-V298 HydrophobicContact CG-CG1 4.46Å; N192-V298 WeakPolarHBondContact OD1-CG2 3.33Å; K296-V298 PolarHBondContact O-N 3.21Å; V298-K324 PolarHBondContact O-N 3.2Å
299I98.3Very high98.1Very high41 Ų4154.5 Ų54.521%0.2128%0.277CS..EExtended strand (participates in β ladder)trans-91124.2175.1-50.2-53.9000108.9R124 Q125 A128 E302 I326R124-I299 HydrophobicContact CB-CD1 4.35Å; R124-I299 HydrophobicContact CB-CG1 4.03Å; R124-I299 WeakPolarHBondContact O-CD1 3.19Å; Q125-I299 HydrophobicContact CG-CG1 4.5Å; A128-I299 HydrophobicContact CB-CD1 3.79Å; I299-E302 HydrophobicContact CG2-CG 3.68Å; I299-I326 HydrophobicContact CD1-CD1 4.44Å; I299-I326 HydrophobicContact CD1-CG2 4.17Å; I299-I326 HydrophobicContact CG2-CD1 3.86Å; I299-I326 HydrophobicContact CG2-CG1 4.06Å
300G96.7Very high98.1Very high27 Ų2758.1 Ų58.128%0.27829%0.294SS..EExtended strand (participates in β ladder)trans-96.4-55.8-179.300000112.3T322 K324G300-T322 WeakPolarHBondContact CA-O 3.41Å; G300-K324 PolarHBondContact N-O 2.98Å
301S96.9Very high98Very high40 Ų4057.8 Ų57.828%0.2829%0.292SS..EExtended strand (participates in β ladder)trans-136.3144.1179.652.60000111.4K324 M325 I326S301-K324 PolarHBondContact N-O 2.81Å; S301-M325 WeakPolarHBondContact O-CA 3.49Å; S301-M325 WeakPolarHBondContact OG-CE 3.44Å; S301-M325 WeakPolarHBondContact OG-CG 3.15Å; S301-I326 PolarHBondContact O-N 2.89Å
302E98.3Very high98.1Very high95 Ų9550.7 Ų50.744%0.44426%0.259SS..EExtended strand (participates in β ladder)trans-123.2131.3-178.4-59.7-174-137.200108.6R124 I299 I326 V328R124-E302 WeakPolarHBondContact CD-OE2 3.26Å; R124-E302 IonicContact CZ-OE2 3.8Å; R124-E302 IonicContact NE-OE1 3.42Å; R124-E302 IonicContact NE-OE2 3.16Å; R124-E302 PolarHBondContact NE-OE2 2.99Å; R124-E302 IonicContact NH2-OE2 3.87Å; I299-E302 HydrophobicContact CG2-CG 3.68Å; E302-I326 HydrophobicContact CB-CG1 4.3Å; E302-I326 HydrophobicContact CG-CD1 3.94Å; E302-I326 HydrophobicContact CG-CG1 3.81Å; E302-V328 HydrophobicContact CB-CG2 4.11Å
303Y98.6Very high98.1Very high38 Ų3846.5 Ų46.515%0.14924%0.242CC..EExtended strand (participates in β ladder)trans-122.7138.4174.7-65.5-102.6000108.5K307 Q310 A311 D314 M325 I326 L327 V328Y303-K307 HydrophobicContact CD1-CB 3.99Å; Y303-Q310 HydrophobicContact CD1-CB 4.37Å; Y303-Q310 HydrophobicContact CD1-CG 4.41Å; Y303-Q310 HydrophobicContact CE1-CB 4.19Å; Y303-Q310 HydrophobicContact CE1-CG 3.77Å; Y303-A311 HydrophobicContact CD1-CB 4.2Å; Y303-A311 HydrophobicContact CD2-CB 3.9Å; Y303-A311 HydrophobicContact CE2-CB 4.4Å; Y303-A311 HydrophobicContact CG-CB 3.82Å; Y303-D314 PolarHBondContact OH-OD2 3.29Å; Y303-M325 HydrophobicContact CD2-CG 3.98Å; Y303-M325 HydrophobicContact CD2-SD 4.24Å; Y303-M325 HydrophobicContact CE2-CE 3.75Å; Y303-M325 HydrophobicContact CE2-CG 3.89Å; Y303-M325 HydrophobicContact CE2-SD 3.89Å; Y303-I326 PolarHBondContact N-O 3.14Å; Y303-L327 CarbonylContact O-C 3.55Å; Y303-L327 WeakPolarHBondContact O-CA 3.35Å; Y303-V328 PolarHBondContact O-N 3.38Å
304P98.6Very high98.1Very high64 Ų6446.8 Ų46.842%0.41624%0.236SC..EExtended strand (participates in β ladder)trans-68155.1166.236.2-38.9000109.1E306 K307P304-E306 WeakPolarHBondContact CB-OE2 3.35Å; P304-E306 PolarHBondContact O-N 3.21Å; P304-K307 HydrophobicContact CG-CB 4.29Å; P304-K307 HydrophobicContact CG-CG 4.03Å; P304-K307 PolarHBondContact O-N 3.32Å
305L98.4Very high97.9Very high1 Ų144.8 Ų44.81%0.00523%0.23CC..G310 helixtrans-52-33.5-174.3-170.765.2000113.7R9 V11 L24 K307 V308 L327 V328 L329R9-L305 HydrophobicContact CB-CD2 4.38Å; V11-L305 HydrophobicContact CG2-CD1 3.72Å; V11-L305 HydrophobicContact CG2-CG 4.07Å; L24-L305 HydrophobicContact CD1-CD2 3.64Å; L24-L305 HydrophobicContact CD1-CG 4.01Å; L305-K307 PolarHBondContact O-N 3.31Å; L305-V308 WeakPolarHBondContact O-CB 3.39Å; L305-V308 PolarHBondContact O-N 2.74Å; L305-L327 HydrophobicContact CD1-CD1 3.95Å; L305-V328 PolarHBondContact N-O 3.39Å; L305-L329 HydrophobicContact CB-CD1 4.04Å; L305-L329 HydrophobicContact CD1-CD1 3.74Å; L305-L329 HydrophobicContact CD2-CD1 3.6Å; L305-L329 HydrophobicContact CG-CD1 3.98Å
306E98.4Very high97.7Very high95 Ų9546.7 Ų46.744%0.44424%0.24SC..G310 helixtrans-62.8-25.6178.5-58.871.2-159.600112.6R9 L24 P304R9-E306 IonicContact CZ-OE1 3.98Å; R9-E306 IonicContact NH1-OE1 3.58Å; R9-E306 PolarHBondContact NH1-OE1 2.86Å; L24-E306 HydrophobicContact CD2-CB 4.36Å; L24-E306 HydrophobicContact CD2-CG 3.76Å; P304-E306 WeakPolarHBondContact CB-OE2 3.35Å; P304-E306 PolarHBondContact O-N 3.21Å
307K98.6Very high97.5Very high122 Ų12248 Ų4853%0.5325%0.247SC..G310 helixtrans-96.421.8179.7-66.2-138.4179.8-170.70113.3Y303 P304 L305 V309 Q310 A311Y303-K307 HydrophobicContact CD1-CB 3.99Å; P304-K307 HydrophobicContact CG-CB 4.29Å; P304-K307 HydrophobicContact CG-CG 4.03Å; P304-K307 PolarHBondContact O-N 3.32Å; L305-K307 PolarHBondContact O-N 3.31Å; K307-V309 PolarHBondContact O-N 3.42Å; K307-Q310 HydrophobicContact CB-CB 4.44Å; K307-Q310 WeakPolarHBondContact O-CB 3.36Å; K307-Q310 PolarHBondContact O-N 3.17Å; K307-Q310 VanDerWaalsContact O-N 3.09Å; K307-A311 PolarHBondContact O-N 2.92Å
308V98.6Very high97Very high3 Ų350 Ų502%0.01826%0.261CS..Hα-helixtrans-56.1-33.8177.668.20000113.4V11 L22 Y103 L305 A311 H312 L327V11-V308 HydrophobicContact CG1-CG1 4.07Å; V11-V308 HydrophobicContact CG1-CG2 4.46Å; V11-V308 HydrophobicContact CG2-CB 4.13Å; V11-V308 HydrophobicContact CG2-CG1 3.75Å; V11-V308 HydrophobicContact CG2-CG2 4.24Å; L22-V308 HydrophobicContact CB-CG1 3.9Å; L22-V308 HydrophobicContact CD1-CG1 4.44Å; L22-V308 HydrophobicContact CD1-CG2 4.19Å; L22-V308 HydrophobicContact CD2-CG2 4.46Å; Y103-V308 HydrophobicContact CD2-CG2 3.71Å; Y103-V308 HydrophobicContact CE2-CG2 3.65Å; L305-V308 WeakPolarHBondContact O-CB 3.39Å; L305-V308 PolarHBondContact O-N 2.74Å; V308-A311 PolarHBondContact O-N 3.42Å; V308-H312 PolarHBondContact O-N 2.89Å; V308-L327 HydrophobicContact CB-CD1 4.26Å; V308-L327 HydrophobicContact CG2-CD1 3.79Å
309V98.6Very high96.2Very high46 Ų4652.7 Ų52.728%0.27928%0.282SS..Hα-helixtrans-60-53.3175.41780000109.7P19 L22 K307 A311 H312 E313P19-V309 HydrophobicContact CB-CG1 3.74Å; L22-V309 HydrophobicContact CB-CG2 4.16Å; K307-V309 PolarHBondContact O-N 3.42Å; V309-A311 VanDerWaalsContact C-N 3.34Å; V309-A311 PolarHBondContact O-N 3.08Å; V309-H312 PolarHBondContact O-N 2.76Å; V309-E313 PolarHBondContact O-N 2.75Å
310Q98.5Very high95.4Very high75 Ų7552 Ų5235%0.3529%0.285SS..Hα-helixtrans-60.8-41.9177.3-170.46857.500111.8Y303 K307 H312 E313 D314Y303-Q310 HydrophobicContact CD1-CB 4.37Å; Y303-Q310 HydrophobicContact CD1-CG 4.41Å; Y303-Q310 HydrophobicContact CE1-CB 4.19Å; Y303-Q310 HydrophobicContact CE1-CG 3.77Å; K307-Q310 HydrophobicContact CB-CB 4.44Å; K307-Q310 WeakPolarHBondContact O-CB 3.36Å; K307-Q310 PolarHBondContact O-N 3.17Å; K307-Q310 VanDerWaalsContact O-N 3.09Å; Q310-H312 VanDerWaalsContact C-N 3.3Å; Q310-H312 PolarHBondContact O-N 2.9Å; Q310-E313 PolarHBondContact O-N 2.89Å; Q310-D314 WeakPolarHBondContact CG-OD2 3.35Å; Q310-D314 PolarHBondContact NE2-OD1 3.16Å; Q310-D314 PolarHBondContact NE2-OD2 3.42Å; Q310-D314 WeakPolarHBondContact O-CB 3.28Å; Q310-D314 VanDerWaalsContact O-CG 3.27Å; Q310-D314 PolarHBondContact O-N 3.49Å
311A98.3Very high95Very high0 Ų053.5 Ų53.50%028%0.284CS..Hα-helixtrans-59.1-42.6177.600000111.6V47 Y303 K307 V308 V309 D314 I315 M325 L327V47-A311 HydrophobicContact CG2-CB 4.46Å; Y303-A311 HydrophobicContact CD1-CB 4.2Å; Y303-A311 HydrophobicContact CD2-CB 3.9Å; Y303-A311 HydrophobicContact CE2-CB 4.4Å; Y303-A311 HydrophobicContact CG-CB 3.82Å; K307-A311 PolarHBondContact O-N 2.92Å; V308-A311 PolarHBondContact O-N 3.42Å; V309-A311 VanDerWaalsContact C-N 3.34Å; V309-A311 PolarHBondContact O-N 3.08Å; A311-D314 PolarHBondContact O-N 2.95Å; A311-I315 WeakPolarHBondContact O-CB 3.23Å; A311-I315 PolarHBondContact O-N 3.27Å; A311-M325 HydrophobicContact CB-SD 3.88Å; A311-L327 HydrophobicContact CB-CD2 3.87Å
312H98.4Very high94.9Very high2 Ų252.8 Ų52.81%0.00928%0.278CS..Hα-helixtrans-70.2-31.8176.8-91.1-127.9000113.7P19 L22 T52 R55 Y103 V308 V309 Q310 I315P19-H312 HydrophobicContact CB-CB 4.44Å; L22-H312 HydrophobicContact CD1-CB 3.91Å; T52-H312 HydrophobicContact CG2-CB 4.47Å; R55-H312 PolarHBondContact NH1-ND1 3.17Å; R55-H312 VanDerWaalsContact NH1-ND1 3.12Å; Y103-H312 AromaticContact CE2-NE2 3.35Å; Y103-H312 WeakPolarHBondContact CE2-NE2 3.41Å; Y103-H312 AromaticContact CZ-NE2 3.69Å; Y103-H312 PolarHBondContact OH-NE2 2.96Å; Y103-H312 VanDerWaalsContact OH-NE2 3.11Å; V308-H312 PolarHBondContact O-N 2.89Å; V309-H312 PolarHBondContact O-N 2.76Å; Q310-H312 VanDerWaalsContact C-N 3.3Å; Q310-H312 PolarHBondContact O-N 2.9Å; H312-I315 WeakPolarHBondContact O-CG2 3.13Å
313E97.4Very high94.8Very high73 Ų7348.8 Ų48.834%0.34126%0.262SS..Hα-helixtrans-66.7-52.7170.3-73.9176.2-172.600110.5P19 V309 Q310 I315 I316 H317P19-E313 HydrophobicContact CB-CG 3.9Å; P19-E313 HydrophobicContact CG-CG 3.57Å; V309-E313 PolarHBondContact O-N 2.75Å; Q310-E313 PolarHBondContact O-N 2.89Å; E313-I315 VanDerWaalsContact C-N 3.35Å; E313-I315 PolarHBondContact O-N 3.08Å; E313-I316 PolarHBondContact O-N 3.11Å; E313-H317 PolarHBondContact O-CD2 3.05Å; E313-H317 VanDerWaalsContact O-CD2 3.27Å; E313-H317 PolarHBondContact O-N 3.03Å
314D97.1Very high94.7Very high35 Ų3547.3 Ų47.319%0.18726%0.256CS..Hα-helixtrans-64-39.9-174.1-71.4-13.7000111.1Y303 Q310 A311 I316 H317 S318 K321 M325Y303-D314 PolarHBondContact OH-OD2 3.29Å; Q310-D314 WeakPolarHBondContact CG-OD2 3.35Å; Q310-D314 PolarHBondContact NE2-OD1 3.16Å; Q310-D314 PolarHBondContact NE2-OD2 3.42Å; Q310-D314 WeakPolarHBondContact O-CB 3.28Å; Q310-D314 VanDerWaalsContact O-CG 3.27Å; Q310-D314 PolarHBondContact O-N 3.49Å; A311-D314 PolarHBondContact O-N 2.95Å; D314-I316 PolarHBondContact O-N 3.27Å; D314-I316 VanDerWaalsContact O-N 3.13Å; D314-H317 PolarHBondContact O-N 3.42Å; D314-S318 WeakPolarHBondContact O-CA 3.34Å; D314-S318 WeakPolarHBondContact O-CB 3.44Å; D314-S318 PolarHBondContact O-N 3.44Å; D314-S318 PolarHBondContact O-OG 2.74Å; D314-K321 PolarHBondContact O-NZ 3.15Å; D314-M325 HydrophobicContact CB-CE 3.74Å
315I95.4Very high94.7Very high14 Ų1444.9 Ų44.97%0.07224%0.239CC..Hα-helixtrans-60.2-29.4-179-162.1165.6000112.7V47 P49 T52 A311 H312 E313 K321 M325V47-I315 HydrophobicContact CB-CD1 4.18Å; V47-I315 HydrophobicContact CG1-CD1 3.72Å; V47-I315 HydrophobicContact CG1-CG2 4.39Å; V47-I315 WeakPolarHBondContact O-CD1 3.27Å; P49-I315 HydrophobicContact CG-CD1 4.11Å; P49-I315 HydrophobicContact CG-CG1 4.3Å; T52-I315 HydrophobicContact CG2-CG2 3.61Å; A311-I315 WeakPolarHBondContact O-CB 3.23Å; A311-I315 PolarHBondContact O-N 3.27Å; H312-I315 WeakPolarHBondContact O-CG2 3.13Å; E313-I315 VanDerWaalsContact C-N 3.35Å; E313-I315 PolarHBondContact O-N 3.08Å; I315-K321 WeakPolarHBondContact O-CE 3.42Å; I315-K321 PolarHBondContact O-NZ 2.94Å; I315-M325 HydrophobicContact CB-CE 4.16Å; I315-M325 HydrophobicContact CB-SD 3.92Å
316I93.6Very high94.8Very high42 Ų4244.8 Ų44.822%0.21524%0.239CC..Hα-helixtrans-93.2-43.8179.8-58.9-54.2000112.5P49 T52 Y53 E313 D314P49-I316 HydrophobicContact CB-CD1 4.38Å; T52-I316 HydrophobicContact CG2-CD1 4.02Å; T52-I316 HydrophobicContact CG2-CG1 3.9Å; T52-I316 WeakPolarHBondContact OG1-CD1 3.34Å; Y53-I316 HydrophobicContact CE1-CD1 4.15Å; E313-I316 PolarHBondContact O-N 3.11Å; D314-I316 PolarHBondContact O-N 3.27Å; D314-I316 VanDerWaalsContact O-N 3.13Å
317H92.4Very high94.8Very high154 Ų15440.3 Ų40.371%0.71322%0.218SC*.Hα-helixtrans-102.5-22.6-167.3-59.4-66.1000113.9E313 D314E313-H317 PolarHBondContact O-CD2 3.05Å; E313-H317 VanDerWaalsContact O-CD2 3.27Å; E313-H317 PolarHBondContact O-N 3.03Å; D314-H317 PolarHBondContact O-N 3.42Å
318S88.1Confident94.8Very high47 Ų4736.3 Ų36.333%0.32920%0.203SC..  trans-72.1136.117998.20000111D314 K321D314-S318 WeakPolarHBondContact O-CA 3.34Å; D314-S318 WeakPolarHBondContact O-CB 3.44Å; D314-S318 PolarHBondContact O-N 3.44Å; D314-S318 PolarHBondContact O-OG 2.74Å; S318-K321 VanDerWaalsContact O-CE 3.23Å; S318-K321 WeakPolarHBondContact O-CE 3.15Å; S318-K321 PolarHBondContact O-NZ 2.92Å; S318-K321 VanDerWaalsContact O-NZ 3.14Å; S318-K321 PolarHBondContact OG-NZ 3.09Å
319S81Confident94.6Very high92 Ų9238.9 Ų38.964%0.64322%0.217SC*.  trans-86.2165.1171.477.50000111.5
320G81.2Confident94.4Very high27 Ų2738.6 Ų38.628%0.27821%0.214SC..  trans7149.8170.700000114.9
321K89Confident94.2Very high59 Ų5936.6 Ų36.626%0.25721%0.207SC..  trans-56.9138.9174.7-53.1-57-179-174.60111S158 D314 I315 S318S158-K321 WeakPolarHBondContact CB-O 3.49Å; S158-K321 CarbonylContact O-C 3.53Å; S158-K321 PolarHBondContact OG-O 3.1Å; D314-K321 PolarHBondContact O-NZ 3.15Å; I315-K321 WeakPolarHBondContact O-CE 3.42Å; I315-K321 PolarHBondContact O-NZ 2.94Å; S318-K321 VanDerWaalsContact O-CE 3.23Å; S318-K321 WeakPolarHBondContact O-CE 3.15Å; S318-K321 PolarHBondContact O-NZ 2.92Å; S318-K321 VanDerWaalsContact O-NZ 3.14Å; S318-K321 PolarHBondContact OG-NZ 3.09Å
322T93.5Very high93.9Very high25 Ų2538.7 Ų38.715%0.15322%0.218CC..  trans-137.344.9-175.948.20000111.8S158 K184 L188 G300S158-T322 CarbonylContact O-C 3.55Å; S158-T322 PolarHBondContact O-N 3.32Å; K184-T322 HydrophobicContact CB-CG2 4.03Å; K184-T322 HydrophobicContact CD-CG2 3.82Å; K184-T322 HydrophobicContact CG-CG2 3.7Å; L188-T322 WeakPolarHBondContact CD2-O 3.46Å; G300-T322 WeakPolarHBondContact CA-O 3.41Å
323G96.4Very high93.7Very high10 Ų1040.8 Ų40.810%0.10323%0.231CC..BIsolated β-bridgetrans122.3-164.7-177.200000113.5S158S158-G323 PolarHBondContact O-N 3.2Å
324K98.1Very high93.4Very high8 Ų838.8 Ų38.84%0.03522%0.224CC..EExtended strand (participates in β ladder)trans-77.7137.6176.6-178.267.1167.11730110.4G46 V47 N48 D72 A128 P132 V298 G300 S301 I326G46-K324 VanDerWaalsContact CA-CE 3.48Å; V47-K324 PolarHBondContact O-NZ 2.77Å; N48-K324 PolarHBondContact ND2-NZ 3.23Å; N48-K324 PolarHBondContact OD1-NZ 3.47Å; D72-K324 IonicContact OD2-NZ 2.78Å; A128-K324 HydrophobicContact CB-CB 3.68Å; A128-K324 HydrophobicContact CB-CG 3.6Å; P132-K324 HydrophobicContact CG-CD 3.98Å; V298-K324 PolarHBondContact O-N 3.2Å; G300-K324 PolarHBondContact N-O 2.98Å; S301-K324 PolarHBondContact N-O 2.81Å; K324-I326 HydrophobicContact CG-CG2 3.86Å
325M98.5Very high93.2Very high12 Ų1239.1 Ų39.16%0.05923%0.226CC..EExtended strand (participates in β ladder)trans-88.6134.7166.1-179.2-178.3-73.100109.1V47 S301 Y303 A311 D314 I315V47-M325 HydrophobicContact CB-CB 4.3Å; V47-M325 HydrophobicContact CB-CG 4.1Å; V47-M325 HydrophobicContact CB-SD 4.26Å; V47-M325 HydrophobicContact CG1-SD 4.23Å; V47-M325 HydrophobicContact CG2-CG 4.12Å; V47-M325 HydrophobicContact CG2-SD 4.47Å; V47-M325 PolarHBondContact N-O 2.85Å; S301-M325 WeakPolarHBondContact O-CA 3.49Å; S301-M325 WeakPolarHBondContact OG-CE 3.44Å; S301-M325 WeakPolarHBondContact OG-CG 3.15Å; Y303-M325 HydrophobicContact CD2-CG 3.98Å; Y303-M325 HydrophobicContact CD2-SD 4.24Å; Y303-M325 HydrophobicContact CE2-CE 3.75Å; Y303-M325 HydrophobicContact CE2-CG 3.89Å; Y303-M325 HydrophobicContact CE2-SD 3.89Å; A311-M325 HydrophobicContact CB-SD 3.88Å; D314-M325 HydrophobicContact CB-CE 3.74Å; I315-M325 HydrophobicContact CB-CE 4.16Å; I315-M325 HydrophobicContact CB-SD 3.92Å
326I98.8Very high93Very high0 Ų040.9 Ų40.90%024%0.237CC..EExtended strand (participates in β ladder)trans-131.5155179.667.2172.3000111.5A44 C45 R124 A127 I299 S301 E302 Y303 K324 V328A44-I326 HydrophobicContact CB-CD1 4.25Å; C45-I326 CarbonylContact O-C 3.55Å; C45-I326 WeakPolarHBondContact O-CA 3.09Å; R124-I326 HydrophobicContact CB-CD1 3.59Å; R124-I326 HydrophobicContact CG-CD1 3.73Å; A127-I326 HydrophobicContact CB-CG2 4.33Å; I299-I326 HydrophobicContact CD1-CD1 4.44Å; I299-I326 HydrophobicContact CD1-CG2 4.17Å; I299-I326 HydrophobicContact CG2-CD1 3.86Å; I299-I326 HydrophobicContact CG2-CG1 4.06Å; S301-I326 PolarHBondContact O-N 2.89Å; E302-I326 HydrophobicContact CB-CG1 4.3Å; E302-I326 HydrophobicContact CG-CD1 3.94Å; E302-I326 HydrophobicContact CG-CG1 3.81Å; Y303-I326 PolarHBondContact N-O 3.14Å; K324-I326 HydrophobicContact CG-CG2 3.86Å; I326-V328 HydrophobicContact CD1-CG2 4.29Å; I326-V328 HydrophobicContact CG1-CG2 4.44Å
327L98.8Very high93Very high0 Ų040.8 Ų40.80%024%0.239CC..EExtended strand (participates in β ladder)trans-94.8139.7161-55.2-178000109.4A44 C45 V47 Y103 Y303 L305 V308 A311A44-L327 CarbonylContact C-O 3.2Å; A44-L327 VanDerWaalsContact CA-O 3.23Å; A44-L327 WeakPolarHBondContact CA-O 3.43Å; C45-L327 PolarHBondContact N-O 3Å; C45-L327 PolarHBondContact O-N 3.44Å; V47-L327 HydrophobicContact CG2-CD1 4.5Å; V47-L327 HydrophobicContact CG2-CD2 3.91Å; V47-L327 HydrophobicContact CG2-CG 3.72Å; Y103-L327 HydrophobicContact CD1-CD1 3.48Å; Y103-L327 VanDerWaalsContact CD1-CD1 3.48Å; Y103-L327 HydrophobicContact CD1-CG 4.5Å; Y103-L327 HydrophobicContact CD2-CD1 3.87Å; Y103-L327 HydrophobicContact CE1-CD1 3.56Å; Y103-L327 HydrophobicContact CE1-CG 4.28Å; Y103-L327 HydrophobicContact CE2-CD1 3.95Å; Y103-L327 HydrophobicContact CG-CD1 3.64Å; Y303-L327 CarbonylContact O-C 3.55Å; Y303-L327 WeakPolarHBondContact O-CA 3.35Å; L305-L327 HydrophobicContact CD1-CD1 3.95Å; V308-L327 HydrophobicContact CB-CD1 4.26Å; V308-L327 HydrophobicContact CG2-CD1 3.79Å; A311-L327 HydrophobicContact CB-CD2 3.87Å
328V98.4Very high93.1Very high38 Ų3831.3 Ų31.323%0.2320%0.199CC..EExtended strand (participates in β ladder)trans-109.1137174.4-168.90000108.9E302 Y303 L305 I326E302-V328 HydrophobicContact CB-CG2 4.11Å; Y303-V328 PolarHBondContact O-N 3.38Å; L305-V328 PolarHBondContact N-O 3.39Å; I326-V328 HydrophobicContact CD1-CG2 4.29Å; I326-V328 HydrophobicContact CG1-CG2 4.44Å
329L94.8Very high93.5Very high58 Ų5829.9 Ų29.930%0.30419%0.188SC..  trans-108.10-171.6-72.2-59.2000112.5R9 V42 H43 C45 L305R9-L329 PolarHBondContact NH2-OXT 3.07Å; V42-L329 HydrophobicContact CB-CG 4.15Å; V42-L329 HydrophobicContact CG1-CD2 3.67Å; V42-L329 HydrophobicContact CG1-CG 3.83Å; V42-L329 WeakPolarHBondContact O-CB 3.5Å; H43-L329 PolarHBondContact O-N 2.8Å; H43-L329 VanDerWaalsContact O-N 3.15Å; C45-L329 HydrophobicContact CB-CD2 4.46Å; L305-L329 HydrophobicContact CB-CD1 4.04Å; L305-L329 HydrophobicContact CD1-CD1 3.74Å; L305-L329 HydrophobicContact CD2-CD1 3.6Å; L305-L329 HydrophobicContact CG-CD1 3.98Å

Retrieved 329 of 329 residues in 104 ms (Link to these results)

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