A0A061INT9_CRIGR Loading...

Zeta-crystallin

Multifunctional crystallin endowed with unrelated mRNA stabilization and enzymatic oxidoreductase activities. Binds (AU)-rich elements (ARE) in the 3'-UTR of target mRNA to enhance their stability. Upon metabolic acidosis, stabilizes the mRNA encoding SLC12A1 a cotransporter involved in transepithelial NH4(+) reabsorption in the medullary thick ascending limb in kidney. In response to acidosis, also participates to the adaptive increase in renal ammoniagenesis by stabilizing the mRNAs of enzymes involved in glutamine catabolism. By the same mechanism, it also regulates the expression of the antiapoptotic protein BCL2. Beside its mRNA stabilization activity, also catalyzes the reduction of orthoquinones such as 1,2-naphthoquinone or 9,10-phenanthrenequinone in the presence of NADPH in vitro and could be involved in the detoxification of xenobiotics and protection against oxidative stress.

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 177.7 ms (Link to these results)

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