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Heme-binding protein 1

May bind free porphyrinogens that may be present in the cell and thus facilitate removal of these potentially toxic compound. Binds with a high affinity to one molecule of heme or porphyrins. It binds metalloporphyrins, free porphyrins and N-methylprotoporphyrin with similar affinities.

AlphaFold DB , UniProt , Accession G4VKX8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 178 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
1M47.3Very low90Very high245 Ų24585.5 Ų85.5100%1.20748%0.481SS*.  0123.70-109.7179.5-8400108.1
2S75.1Confident90.6Very high119 Ų11987.8 Ų87.883%0.83248%0.482SS*.PPolyproline II helixtrans-73133.3168.546.20000108.8
3I88.6Confident91.2Very high85 Ų8586.5 Ų86.544%0.43648%0.479SS..PPolyproline II helixtrans-69.2151167.658.5177000109.2T5 A68I3-T5 PolarHBondContact O-N 3.05Å; I3-A68 HydrophobicContact CD1-CB 3.67Å; I3-A68 HydrophobicContact CG1-CB 4.23Å
4E94.8Very high91.7Very high75 Ų7582.6 Ų82.635%0.3545%0.453SS..EExtended strand (participates in β ladder)trans-61.3136.2175.4-173.6-178.4143.500110.3T67 A68 Y91 P93 E94E4-T67 HydrophobicContact CB-CG2 4.25Å; E4-T67 CarbonylContact O-C 3.53Å; E4-T67 WeakPolarHBondContact O-CA 3.47Å; E4-T67 WeakPolarHBondContact O-CB 3.23Å; E4-A68 PolarHBondContact O-N 3.22Å; E4-Y91 HydrophobicContact CG-CE1 4.26Å; E4-Y91 WeakPolarHBondContact OE1-CE1 3.38Å; E4-P93 WeakPolarHBondContact OE1-CA 3.5Å; E4-P93 VanDerWaalsContact OE2-CB 3.22Å; E4-P93 WeakPolarHBondContact OE2-CB 3.36Å; E4-E94 PolarHBondContact OE1-N 3.4Å
5T96.4Very high92Very high71 Ų7184.9 Ų84.944%0.43647%0.471SS..EExtended strand (participates in β ladder)trans-113.1138.3178.157.20000110.5I3 P7 A68I3-T5 PolarHBondContact O-N 3.05Å; T5-P7 VanDerWaalsContact O-N 3.13Å; T5-A68 CarbonylContact C-O 3.52Å; T5-A68 WeakPolarHBondContact CA-O 3.25Å; T5-A68 HydrophobicContact CG2-CB 4.21Å
6A97.6Very high92.1Very high1 Ų190.8 Ų90.81%0.00849%0.493CS..  trans-49.2119.7171.700000109.7Y8 Y24 L27 W29 A68 Y91A6-Y8 WeakPolarHBondContact O-CD1 3.43Å; A6-Y24 HydrophobicContact CB-CE1 4.26Å; A6-L27 HydrophobicContact CB-CD1 4.14Å; A6-W29 HydrophobicContact CB-CH2 4.03Å; A6-W29 HydrophobicContact CB-CZ2 4.01Å; A6-A68 PolarHBondContact N-O 3.34Å; A6-Y91 HydrophobicContact CB-CD1 3.91Å; A6-Y91 HydrophobicContact CB-CD2 3.96Å; A6-Y91 HydrophobicContact CB-CE1 4.35Å; A6-Y91 HydrophobicContact CB-CE2 4.39Å; A6-Y91 HydrophobicContact CB-CG 3.72Å
7P97.8Very high92.2Very high64 Ų6487.5 Ų87.542%0.41647%0.474SS..  trans-70.9140.7-17127.8-34.9000111.1T5 Y24 L27T5-P7 VanDerWaalsContact O-N 3.13Å; P7-Y24 WeakPolarHBondContact O-CD1 3.4Å; P7-L27 HydrophobicContact CG-CD1 4.44Å; P7-L27 HydrophobicContact CG-CD2 4.12Å
8Y98Very high92.3Very high71 Ų7190.5 Ų90.528%0.27848%0.482SS..  trans-148.4158.7173.861-96.5000110.7A6 V10 R22 E23 Y24 R170A6-Y8 WeakPolarHBondContact O-CD1 3.43Å; Y8-V10 HydrophobicContact CD2-CG2 4.17Å; Y8-V10 HydrophobicContact CE2-CG2 3.84Å; Y8-R22 HydrophobicContact CD2-CB 4.16Å; Y8-R22 VanDerWaalsContact CD2-CD 3.48Å; Y8-R22 HydrophobicContact CD2-CG 3.91Å; Y8-R22 VanDerWaalsContact CE2-CD 3.43Å; Y8-R22 HydrophobicContact CE2-CG 4.13Å; Y8-E23 WeakPolarHBondContact CA-O 3.35Å; Y8-E23 WeakPolarHBondContact CB-O 3.24Å; Y8-Y24 AromaticContact CD1-CE1 3.75Å; Y8-Y24 HydrophobicContact CD1-CE1 3.75Å; Y8-Y24 AromaticContact CD1-CZ 3.65Å; Y8-Y24 VanDerWaalsContact CD1-OH 3.25Å; Y8-Y24 WeakPolarHBondContact CD1-OH 3.47Å; Y8-Y24 HydrophobicContact CG-CE1 4.09Å; Y8-Y24 HydrophobicContact CG-CE2 4.44Å; Y8-Y24 AromaticContact CG-CZ 3.89Å; Y8-R170 PolarHBondContact OH-NH2 3.21Å
9T98.4Very high92.6Very high86 Ų8685.8 Ų85.853%0.52846%0.457SS..EExtended strand (participates in β ladder)trans-106.7144.8166.9550000109.8R22 E23T9-R22 CarbonylContact O-C 3.56Å; T9-R22 VanDerWaalsContact O-CA 3.24Å; T9-R22 WeakPolarHBondContact O-CA 3.45Å; T9-E23 PolarHBondContact N-O 3.04Å; T9-E23 PolarHBondContact O-N 3.43Å
10V98.3Very high92.9Very high67 Ų6784.2 Ų84.241%0.40645%0.447SS..EExtended strand (participates in β ladder)trans-93.1113.5171.4-177.50000108Y8 E20 R22Y8-V10 HydrophobicContact CD2-CG2 4.17Å; Y8-V10 HydrophobicContact CE2-CG2 3.84Å; V10-E20 HydrophobicContact CG1-CB 4.4Å; V10-E20 HydrophobicContact CG1-CG 4.4Å; V10-R22 HydrophobicContact CG2-CG 4.32Å
11S97.3Very high93.2Very high57 Ų5781.3 Ų81.340%0.39943%0.431SS..EExtended strand (participates in β ladder)trans-87.1-30.4-179.3-610000112.3L21 E23S11-L21 PolarHBondContact N-O 3.46Å; S11-E23 VanDerWaalsContact OG-CG 3.24Å; S11-E23 WeakPolarHBondContact OG-CG 3.45Å; S11-E23 PolarHBondContact OG-OE1 2.84Å
12K98Very high95.6Very high112 Ų11269.8 Ų69.849%0.48738%0.375SS..EExtended strand (participates in β ladder)trans-158.1148.9177-168.5159.6175-177.80111.5W14 E20 L21K12-W14 HydrophobicContact CB-CE3 4.45Å; K12-W14 HydrophobicContact CB-CH2 3.89Å; K12-W14 HydrophobicContact CB-CZ2 4.49Å; K12-W14 HydrophobicContact CB-CZ3 3.87Å; K12-W14 HydrophobicContact CD-CH2 3.61Å; K12-W14 HydrophobicContact CD-CZ2 3.39Å; K12-W14 HydrophobicContact CD-CZ3 4.27Å; K12-W14 VanDerWaalsContact CE-CZ2 3.43Å; K12-W14 HydrophobicContact CG-CD2 4.24Å; K12-W14 HydrophobicContact CG-CE3 4.13Å; K12-W14 HydrophobicContact CG-CH2 3.76Å; K12-W14 HydrophobicContact CG-CZ2 3.86Å; K12-W14 HydrophobicContact CG-CZ3 3.89Å; K12-E20 CarbonylContact O-C 3.52Å; K12-E20 WeakPolarHBondContact O-CA 3.47Å; K12-L21 HydrophobicContact CB-CB 4.22Å; K12-L21 PolarHBondContact N-O 3.19Å; K12-L21 PolarHBondContact O-N 2.65Å
13T98.3Very high96.7Very high72 Ų7266.8 Ų66.844%0.44235%0.347SS..EExtended strand (participates in β ladder)trans-127.4133.4174.5-56.10000109.8E20T13-E20 HydrophobicContact CG2-CG 4.14Å
14W98.1Very high97.2Very high32 Ų3263.2 Ų63.212%0.12133%0.328CS..EExtended strand (participates in β ladder)trans-112.891.2170.1-68.1-95.8000107.8K12 Q16 E17 K18 V19 L21 Y119 L146 L148K12-W14 HydrophobicContact CB-CE3 4.45Å; K12-W14 HydrophobicContact CB-CH2 3.89Å; K12-W14 HydrophobicContact CB-CZ2 4.49Å; K12-W14 HydrophobicContact CB-CZ3 3.87Å; K12-W14 HydrophobicContact CD-CH2 3.61Å; K12-W14 HydrophobicContact CD-CZ2 3.39Å; K12-W14 HydrophobicContact CD-CZ3 4.27Å; K12-W14 VanDerWaalsContact CE-CZ2 3.43Å; K12-W14 HydrophobicContact CG-CD2 4.24Å; K12-W14 HydrophobicContact CG-CE3 4.13Å; K12-W14 HydrophobicContact CG-CH2 3.76Å; K12-W14 HydrophobicContact CG-CZ2 3.86Å; K12-W14 HydrophobicContact CG-CZ3 3.89Å; W14-Q16 PolarHBondContact O-N 3.15Å; W14-E17 HydrophobicContact CB-CB 4.18Å; W14-E17 WeakPolarHBondContact CB-OE2 3.48Å; W14-E17 CarbonylContact O-C 3.58Å; W14-E17 PolarHBondContact O-N 3.33Å; W14-K18 PolarHBondContact O-N 2.83Å; W14-V19 HydrophobicContact CB-CB 4.38Å; W14-V19 HydrophobicContact CE3-CB 4.32Å; W14-V19 HydrophobicContact CE3-CG1 4.01Å; W14-V19 HydrophobicContact CZ3-CG1 4.37Å; W14-V19 PolarHBondContact N-O 3.41Å; W14-V19 PolarHBondContact O-N 3.1Å; W14-V19 VanDerWaalsContact O-N 3.1Å; W14-L21 HydrophobicContact CH2-CB 4.29Å; W14-L21 HydrophobicContact CZ3-CB 3.84Å; W14-Y119 AromaticContact CH2-CE1 3.94Å; W14-Y119 HydrophobicContact CH2-CE1 3.94Å; W14-Y119 HydrophobicContact CZ3-CD1 4.25Å; W14-Y119 AromaticContact CZ3-CE1 3.95Å; W14-Y119 HydrophobicContact CZ3-CE1 3.95Å; W14-L146 HydrophobicContact CB-CD1 4Å; W14-L146 VanDerWaalsContact CD1-CD2 3.46Å; W14-L146 HydrophobicContact CD2-CD1 4.01Å; W14-L146 HydrophobicContact CG-CD1 3.67Å; W14-L146 HydrophobicContact CG-CD2 4.23Å; W14-L148 HydrophobicContact CD2-CD1 4.47Å; W14-L148 HydrophobicContact CH2-CD1 3.73Å; W14-L148 HydrophobicContact CH2-CD2 4.28Å; W14-L148 HydrophobicContact CZ2-CD1 3.62Å; W14-L148 HydrophobicContact CZ2-CD2 3.95Å; W14-L148 HydrophobicContact CZ2-CG 4.39Å; W14-L148 HydrophobicContact CZ3-CD1 4.2Å
15T95.3Very high97.3Very high117 Ų11765.7 Ų65.772%0.71834%0.344SS*.THydrogen-bonded Turntrans-66.7-37.8-168.9-55.10000112.9E17 K18T15-E17 VanDerWaalsContact C-N 3.31Å; T15-K18 PolarHBondContact O-N 2.9Å
16Q94.4Very high97.4Very high178 Ų17865.5 Ų65.583%0.83235%0.345SS*.THydrogen-bonded Turntrans-67.3-38.5-179.2-65-176.6-3.600110.7W14W14-Q16 PolarHBondContact O-N 3.15Å
17E94.2Very high97.5Very high36 Ų3666 Ų6617%0.16835%0.348CS..THydrogen-bonded Turntrans-87.3-5179.9-59.778.5-17300112.8W14 T15 V19 W121 L146W14-E17 HydrophobicContact CB-CB 4.18Å; W14-E17 WeakPolarHBondContact CB-OE2 3.48Å; W14-E17 CarbonylContact O-C 3.58Å; W14-E17 PolarHBondContact O-N 3.33Å; T15-E17 VanDerWaalsContact C-N 3.31Å; E17-V19 VanDerWaalsContact C-N 3.27Å; E17-V19 HydrophobicContact CB-CG2 4.39Å; E17-V19 PolarHBondContact O-N 3.49Å; E17-W121 WeakPolarHBondContact O-CZ3 3.25Å; E17-L146 HydrophobicContact CB-CD1 4.06Å; E17-L146 HydrophobicContact CG-CD1 3.96Å; E17-L146 HydrophobicContact CG-CD2 3.98Å; E17-L146 HydrophobicContact CG-CG 3.99Å
18K93.9Very high97.5Very high141 Ų14166.9 Ų66.961%0.61334%0.343SS*.THydrogen-bonded Turntrans5538.7-179.1-57.3-179.9179.3178.50113.9W14 T15 W121W14-K18 PolarHBondContact O-N 2.83Å; T15-K18 PolarHBondContact O-N 2.9Å; K18-W121 HydrophobicContact CB-CE3 4.26Å; K18-W121 HydrophobicContact CB-CH2 4.3Å; K18-W121 HydrophobicContact CB-CZ3 3.97Å; K18-W121 HydrophobicContact CD-CH2 4.41Å
19V98.2Very high97.5Very high1 Ų163.8 Ų63.81%0.00633%0.331CS..EExtended strand (participates in β ladder)trans-113.8138.5178.3176.50000110.8W14 E17 Y119 W121 L139 L143W14-V19 HydrophobicContact CB-CB 4.38Å; W14-V19 HydrophobicContact CE3-CB 4.32Å; W14-V19 HydrophobicContact CE3-CG1 4.01Å; W14-V19 HydrophobicContact CZ3-CG1 4.37Å; W14-V19 PolarHBondContact N-O 3.41Å; W14-V19 PolarHBondContact O-N 3.1Å; W14-V19 VanDerWaalsContact O-N 3.1Å; E17-V19 VanDerWaalsContact C-N 3.27Å; E17-V19 HydrophobicContact CB-CG2 4.39Å; E17-V19 PolarHBondContact O-N 3.49Å; V19-Y119 HydrophobicContact CG1-CD1 3.89Å; V19-Y119 HydrophobicContact CG1-CG 4.41Å; V19-W121 HydrophobicContact CG2-CE3 4.48Å; V19-L139 HydrophobicContact CG1-CD1 4.31Å; V19-L139 HydrophobicContact CG2-CD1 3.75Å; V19-L143 HydrophobicContact CG1-CD2 3.88Å; V19-L143 HydrophobicContact CG2-CD2 4.44Å
20E98.4Very high97.5Very high53 Ų5359.8 Ų59.825%0.24831%0.306CS..EExtended strand (participates in β ladder)trans-118.6137.3165.6-69.1177.6175.300110.1V10 K12 T13 R22 Y119 C120V10-E20 HydrophobicContact CG1-CB 4.4Å; V10-E20 HydrophobicContact CG1-CG 4.4Å; K12-E20 CarbonylContact O-C 3.52Å; K12-E20 WeakPolarHBondContact O-CA 3.47Å; T13-E20 HydrophobicContact CG2-CG 4.14Å; E20-R22 HydrophobicContact CB-CG 4.19Å; E20-R22 IonicContact OE2-CZ 2.95Å; E20-R22 IonicContact OE2-NE 2.75Å; E20-R22 PolarHBondContact OE2-NE 2.82Å; E20-R22 IonicContact OE2-NH2 3.62Å; E20-R22 PolarHBondContact OE2-NH2 2.74Å; E20-Y119 CarbonylContact O-C 3.54Å; E20-Y119 VanDerWaalsContact O-CA 3.31Å; E20-Y119 WeakPolarHBondContact O-CA 3.36Å; E20-C120 PolarHBondContact N-O 3.34Å; E20-C120 PolarHBondContact O-N 3.5Å
21L98.7Very high97.6Very high25 Ų2556.6 Ų56.613%0.13129%0.287CS..EExtended strand (participates in β ladder)trans-88.9116.1161.7176.662.5000108.1S11 K12 W14 K117 V118 Y119 A177S11-L21 PolarHBondContact N-O 3.46Å; K12-L21 HydrophobicContact CB-CB 4.22Å; K12-L21 PolarHBondContact N-O 3.19Å; K12-L21 PolarHBondContact O-N 2.65Å; W14-L21 HydrophobicContact CH2-CB 4.29Å; W14-L21 HydrophobicContact CZ3-CB 3.84Å; L21-K117 HydrophobicContact CD1-CB 4.12Å; L21-V118 WeakPolarHBondContact CA-O 3.24Å; L21-Y119 HydrophobicContact CB-CD1 4.18Å; L21-Y119 HydrophobicContact CB-CE1 4.06Å; L21-Y119 HydrophobicContact CD1-CD1 4.06Å; L21-Y119 HydrophobicContact CD1-CE1 3.81Å; L21-Y119 HydrophobicContact CG-CE1 4.37Å; L21-A177 HydrophobicContact CD1-CB 3.81Å
22R98.4Very high97.6Very high3 Ų353.9 Ų53.91%0.01127%0.268CS..EExtended strand (participates in β ladder)trans-114.8147.6178.4-60.8-175.9-176.8160.39.6111.4Y8 T9 V10 E20 Y24 K117 V118 C120 Y160 E172Y8-R22 HydrophobicContact CD2-CB 4.16Å; Y8-R22 VanDerWaalsContact CD2-CD 3.48Å; Y8-R22 HydrophobicContact CD2-CG 3.91Å; Y8-R22 VanDerWaalsContact CE2-CD 3.43Å; Y8-R22 HydrophobicContact CE2-CG 4.13Å; T9-R22 CarbonylContact O-C 3.56Å; T9-R22 VanDerWaalsContact O-CA 3.24Å; T9-R22 WeakPolarHBondContact O-CA 3.45Å; V10-R22 HydrophobicContact CG2-CG 4.32Å; E20-R22 HydrophobicContact CB-CG 4.19Å; E20-R22 IonicContact OE2-CZ 2.95Å; E20-R22 IonicContact OE2-NE 2.75Å; E20-R22 PolarHBondContact OE2-NE 2.82Å; E20-R22 IonicContact OE2-NH2 3.62Å; E20-R22 PolarHBondContact OE2-NH2 2.74Å; R22-Y24 HydrophobicContact CB-CE2 4.12Å; R22-K117 CarbonylContact O-C 3.54Å; R22-K117 WeakPolarHBondContact O-CA 3.34Å; R22-V118 HydrophobicContact CB-CG2 4.1Å; R22-V118 PolarHBondContact N-O 2.94Å; R22-V118 PolarHBondContact O-N 3.03Å; R22-C120 VanDerWaalsContact CD-SG 3.57Å; R22-Y160 PolarHBondContact NH1-OH 3.24Å; R22-E172 IonicContact CZ-OE1 3.87Å; R22-E172 IonicContact CZ-OE2 2.87Å; R22-E172 IonicContact NH1-OE1 2.78Å; R22-E172 PolarHBondContact NH1-OE1 2.88Å; R22-E172 IonicContact NH1-OE2 3.86Å; R22-E172 PolarHBondContact NH1-OE2 2.83Å; R22-E172 IonicContact NH2-OE1 2.73Å; R22-E172 PolarHBondContact NH2-OE1 2.81Å; R22-E172 IonicContact NH2-OE2 3.15Å
23E98.4Very high97.6Very high55 Ų5552.6 Ų52.626%0.25727%0.265SS..EExtended strand (participates in β ladder)trans-116.8125.1175-52.6-170.5-170.800109.7Y8 T9 S11 K117Y8-E23 WeakPolarHBondContact CA-O 3.35Å; Y8-E23 WeakPolarHBondContact CB-O 3.24Å; T9-E23 PolarHBondContact N-O 3.04Å; T9-E23 PolarHBondContact O-N 3.43Å; S11-E23 VanDerWaalsContact OG-CG 3.24Å; S11-E23 WeakPolarHBondContact OG-CG 3.45Å; S11-E23 PolarHBondContact OG-OE1 2.84Å; E23-K117 VanDerWaalsContact CD-NZ 3.34Å; E23-K117 HydrophobicContact CG-CD 3.97Å; E23-K117 HydrophobicContact CG-CG 3.9Å; E23-K117 VanDerWaalsContact OE1-CE 3.25Å; E23-K117 WeakPolarHBondContact OE1-CE 3.44Å; E23-K117 IonicContact OE1-NZ 2.74Å; E23-K117 PolarHBondContact OE1-NZ 3.05Å; E23-K117 WeakPolarHBondContact OE2-CE 3.26Å; E23-K117 IonicContact OE2-NZ 3.5Å; E23-K117 PolarHBondContact OE2-NZ 3.22Å
24Y98.3Very high97.4Very high10 Ų1049.3 Ų49.34%0.03925%0.245CC..EExtended strand (participates in β ladder)trans-106.5132.2172.2-70.2-93.7000108.2A6 P7 Y8 R22 L27 A115 M116 V118 W174A6-Y24 HydrophobicContact CB-CE1 4.26Å; P7-Y24 WeakPolarHBondContact O-CD1 3.4Å; Y8-Y24 AromaticContact CD1-CE1 3.75Å; Y8-Y24 HydrophobicContact CD1-CE1 3.75Å; Y8-Y24 AromaticContact CD1-CZ 3.65Å; Y8-Y24 VanDerWaalsContact CD1-OH 3.25Å; Y8-Y24 WeakPolarHBondContact CD1-OH 3.47Å; Y8-Y24 HydrophobicContact CG-CE1 4.09Å; Y8-Y24 HydrophobicContact CG-CE2 4.44Å; Y8-Y24 AromaticContact CG-CZ 3.89Å; R22-Y24 HydrophobicContact CB-CE2 4.12Å; Y24-L27 HydrophobicContact CD1-CD1 4.07Å; Y24-A115 CarbonylContact O-C 3.53Å; Y24-A115 WeakPolarHBondContact O-CA 3.3Å; Y24-M116 PolarHBondContact N-O 2.84Å; Y24-M116 PolarHBondContact O-N 2.94Å; Y24-V118 HydrophobicContact CD2-CG2 3.91Å; Y24-V118 HydrophobicContact CE2-CG2 3.62Å; Y24-W174 HydrophobicContact CE1-CH2 4.24Å; Y24-W174 HydrophobicContact CE2-CH2 4.19Å; Y24-W174 HydrophobicContact CE2-CZ2 4.46Å; Y24-W174 HydrophobicContact CE2-CZ3 4.36Å; Y24-W174 AromaticContact CZ-CH2 3.71Å; Y24-W174 AromaticContact CZ-CZ2 3.99Å; Y24-W174 WeakPolarHBondContact OH-CH2 3.43Å; Y24-W174 VanDerWaalsContact OH-CZ2 3.31Å; Y24-W174 WeakPolarHBondContact OH-CZ2 3.5Å
25N97.7Very high97.2Very high127 Ų12753.4 Ų53.468%0.67927%0.265SS*.  trans-68.5173.8166.1-71.4-29000110.2L27N25-L27 WeakPolarHBondContact O-CG 3.12Å; N25-L27 PolarHBondContact O-N 3.1Å
26S98.2Very high97.2Very high67 Ų6751.4 Ų51.447%0.46925%0.248SC..SBendtrans-61.5122.6171.5-178.90000109.8T112 R113S26-T112 WeakPolarHBondContact OG-CG2 3.37Å; S26-R113 VanDerWaalsContact CA-O 3.3Å; S26-R113 WeakPolarHBondContact CA-O 3.45Å; S26-R113 PolarHBondContact OG-O 2.61Å
27L98.3Very high97.1Very high12 Ų1247.2 Ų47.26%0.06324%0.238CC..EExtended strand (participates in β ladder)trans-133.4144.6-177-64.4171.9000110.3A6 P7 Y24 N25 W29 Y91 R113A6-L27 HydrophobicContact CB-CD1 4.14Å; P7-L27 HydrophobicContact CG-CD1 4.44Å; P7-L27 HydrophobicContact CG-CD2 4.12Å; Y24-L27 HydrophobicContact CD1-CD1 4.07Å; N25-L27 WeakPolarHBondContact O-CG 3.12Å; N25-L27 PolarHBondContact O-N 3.1Å; L27-W29 VanDerWaalsContact O-CD1 3.26Å; L27-Y91 HydrophobicContact CB-CD2 4.49Å; L27-Y91 HydrophobicContact CB-CE2 4.25Å; L27-Y91 HydrophobicContact CD1-CD2 4.47Å; L27-Y91 HydrophobicContact CD1-CE2 4.15Å; L27-Y91 HydrophobicContact CD2-CE2 3.92Å; L27-Y91 HydrophobicContact CG-CE2 4.32Å; L27-R113 PolarHBondContact N-O 2.92Å; L27-R113 VanDerWaalsContact N-O 3.09Å; L27-R113 PolarHBondContact O-N 2.87Å
28R98.7Very high97.1Very high83 Ų8346.6 Ų46.631%0.31324%0.237SC..EExtended strand (participates in β ladder)trans-91.8140.1173.9-60.5-168.2179.7129.7-4.9112.1I92 Q97 S98 P100 I110 E111 T112R28-I92 HydrophobicContact CB-CD1 4.24Å; R28-I92 WeakPolarHBondContact O-CB 3.32Å; R28-I92 PolarHBondContact O-N 2.79Å; R28-Q97 WeakPolarHBondContact CD-O 2.95Å; R28-Q97 PolarHBondContact NH1-O 2.87Å; R28-Q97 PolarHBondContact O-NE2 2.59Å; R28-S98 PolarHBondContact NH1-O 2.83Å; R28-P100 HydrophobicContact CB-CG 4.29Å; R28-I110 HydrophobicContact CB-CG2 4.3Å; R28-E111 CarbonylContact C-O 3.49Å; R28-E111 WeakPolarHBondContact CA-O 3.2Å; R28-T112 HydrophobicContact CG-CG2 4.41Å; R28-T112 PolarHBondContact NE-OG1 2.91Å
29W98.7Very high97.1Very high6 Ų640.1 Ų40.12%0.02321%0.21CC..EExtended strand (participates in β ladder)trans-130.1144.7-178.1-61.774.8000108.7A6 L27 P69 T71 F90 Y91 I110 E111A6-W29 HydrophobicContact CB-CH2 4.03Å; A6-W29 HydrophobicContact CB-CZ2 4.01Å; L27-W29 VanDerWaalsContact O-CD1 3.26Å; W29-P69 HydrophobicContact CH2-CG 4.37Å; W29-P69 WeakPolarHBondContact CZ3-O 3.43Å; W29-T71 HydrophobicContact CE3-CG2 4.48Å; W29-T71 HydrophobicContact CH2-CG2 3.67Å; W29-T71 HydrophobicContact CZ3-CG2 3.62Å; W29-F90 VanDerWaalsContact CA-O 3.31Å; W29-F90 WeakPolarHBondContact CA-O 3.46Å; W29-Y91 VanDerWaalsContact CE3-CA 3.47Å; W29-Y91 HydrophobicContact CZ2-CD2 4.37Å; W29-Y91 VanDerWaalsContact CZ3-N 3.34Å; W29-I110 CarbonylContact O-C 3.52Å; W29-I110 WeakPolarHBondContact O-CA 3.45Å; W29-E111 PolarHBondContact N-O 2.81Å; W29-E111 PolarHBondContact O-N 3.14Å
30V98.8Very high97Very high2 Ų242.9 Ų42.91%0.01222%0.224CC..EExtended strand (participates in β ladder)trans-92.9122.7164.5610000107.8L50 Y53 G89 F90 I92 P103 V108 I110V30-L50 HydrophobicContact CG1-CD2 4.34Å; V30-L50 HydrophobicContact CG2-CD2 3.92Å; V30-Y53 HydrophobicContact CB-CD1 4Å; V30-Y53 HydrophobicContact CB-CE1 3.75Å; V30-Y53 HydrophobicContact CG1-CD1 3.69Å; V30-Y53 HydrophobicContact CG1-CE1 3.66Å; V30-Y53 HydrophobicContact CG2-CD1 3.66Å; V30-Y53 HydrophobicContact CG2-CD2 4.08Å; V30-Y53 HydrophobicContact CG2-CE1 3.76Å; V30-Y53 HydrophobicContact CG2-CE2 4.16Å; V30-Y53 HydrophobicContact CG2-CG 3.83Å; V30-G89 WeakPolarHBondContact O-CA 3.42Å; V30-F90 HydrophobicContact CG1-CB 3.88Å; V30-F90 PolarHBondContact N-O 2.8Å; V30-F90 PolarHBondContact O-N 2.98Å; V30-I92 HydrophobicContact CB-CD1 4.26Å; V30-I92 HydrophobicContact CB-CG1 4.38Å; V30-I92 HydrophobicContact CG1-CG1 4.49Å; V30-P103 HydrophobicContact CG2-CG 4.47Å; V30-V108 HydrophobicContact CG2-CG1 3.49Å; V30-V108 VanDerWaalsContact CG2-CG1 3.49Å; V30-I110 HydrophobicContact CB-CD1 4.08Å; V30-I110 HydrophobicContact CG2-CD1 4.16Å
31C98.7Very high96.9Very high0 Ų045.4 Ų45.40%023%0.234CC..EExtended strand (participates in β ladder)trans-125.4152.6-167.4-68.40000112.3T87 M88 G89 V108 F109 E111C31-T87 HydrophobicContact CB-CG2 3.96Å; C31-M88 CarbonylContact C-O 3.51Å; C31-M88 WeakPolarHBondContact CA-O 3.33Å; C31-G89 VanDerWaalsContact SG-CA 3.53Å; C31-V108 CarbonylContact O-C 3.59Å; C31-V108 WeakPolarHBondContact O-CA 3.26Å; C31-F109 HydrophobicContact CB-CD2 4.17Å; C31-F109 HydrophobicContact CB-CE1 4.22Å; C31-F109 HydrophobicContact CB-CE2 3.67Å; C31-F109 HydrophobicContact CB-CZ 3.7Å; C31-F109 PolarHBondContact N-O 3.41Å; C31-F109 PolarHBondContact O-N 3.18Å; C31-E111 HydrophobicContact CB-CB 4.28Å; C31-E111 PolarHBondContact SG-OE2 3.17Å
32A98.4Very high96.7Very high0 Ų044.3 Ų44.30%023%0.229CC..EExtended strand (participates in β ladder)trans-137.3141.2168.400000109C46 L50 M88 G107A32-C46 HydrophobicContact CB-CB 3.95Å; A32-C46 PolarHBondContact O-SG 3.28Å; A32-L50 HydrophobicContact CB-CD2 4.04Å; A32-L50 HydrophobicContact CB-CG 4.22Å; A32-M88 PolarHBondContact N-O 2.92Å; A32-M88 PolarHBondContact O-N 3.44Å; A32-G107 WeakPolarHBondContact CA-O 3.47Å
33M96.7Very high96.5Very high85 Ų8546 Ų4642%0.41924%0.241SC..EExtended strand (participates in β ladder)trans-101.1151.4178.7-72.5-177-67.900111.4F86 T87 F109M33-F86 CarbonylContact C-O 3.55Å; M33-F86 VanDerWaalsContact CA-O 3.3Å; M33-F86 WeakPolarHBondContact CA-O 3.33Å; M33-T87 HydrophobicContact CG-CG2 4.09Å; M33-F109 HydrophobicContact CE-CE1 3.72Å; M33-F109 HydrophobicContact CE-CZ 3.98Å; M33-F109 HydrophobicContact CG-CE1 3.81Å; M33-F109 HydrophobicContact CG-CZ 3.82Å; M33-F109 HydrophobicContact SD-CE1 4.34Å; M33-F109 HydrophobicContact SD-CZ 4.15Å
34S95.5Very high96.3Very high3 Ų350.7 Ų50.72%0.02126%0.26CS..EExtended strand (participates in β ladder)trans-144.8142.6174.71470000110.2E36 A42 E45 C46 F86S34-E36 VanDerWaalsContact OG-CB 3.27Å; S34-E36 WeakPolarHBondContact OG-CB 3.48Å; S34-E36 WeakPolarHBondContact OG-CG 3.2Å; S34-E36 PolarHBondContact OG-N 2.73Å; S34-A42 VanDerWaalsContact OG-CA 3.31Å; S34-A42 WeakPolarHBondContact OG-CA 3.35Å; S34-A42 WeakPolarHBondContact OG-CB 3.45Å; S34-E45 WeakPolarHBondContact CB-OE2 3.19Å; S34-E45 PolarHBondContact OG-OE2 2.75Å; S34-C46 VanDerWaalsContact CB-SG 3.6Å; S34-F86 PolarHBondContact N-O 3.28Å; S34-F86 PolarHBondContact O-N 3.32Å
35H93.9Very high96.1Very high117 Ų11753.6 Ų53.654%0.54227%0.274SS..  trans-10620.4172.1-64-100.6000112D77H35-D77 IonicContact CE1-OD2 2.91Å; H35-D77 PolarHBondContact CE1-OD2 2.82Å; H35-D77 IonicContact ND1-OD2 2.72Å; H35-D77 PolarHBondContact ND1-OD2 3.5Å
36E94.4Very high96.1Very high76 Ų7647.6 Ų47.636%0.35524%0.242SC..  trans-57.6158.7175.7-81.4-66.6162.900113.4S34 S38 K41 A42 F86S34-E36 VanDerWaalsContact OG-CB 3.27Å; S34-E36 WeakPolarHBondContact OG-CB 3.48Å; S34-E36 WeakPolarHBondContact OG-CG 3.2Å; S34-E36 PolarHBondContact OG-N 2.73Å; E36-S38 PolarHBondContact O-N 2.82Å; E36-S38 VanDerWaalsContact O-N 3.11Å; E36-K41 HydrophobicContact CB-CB 3.72Å; E36-K41 HydrophobicContact CG-CB 3.89Å; E36-K41 WeakPolarHBondContact OE2-CD 3.31Å; E36-A42 HydrophobicContact CB-CB 4.23Å; E36-F86 VanDerWaalsContact O-CE2 3.27Å; E36-F86 WeakPolarHBondContact O-CE2 3.36Å
37S92.4Very high95.9Very high90 Ų9046.7 Ų46.763%0.62923%0.23SC*.SBendtrans-68.9-12.1-173.169.10000114.9K41S37-K41 WeakPolarHBondContact OG-CD 3.4Å; S37-K41 WeakPolarHBondContact OG-CE 3.22Å; S37-K41 PolarHBondContact OG-NZ 3.19Å
38S94.5Very high95.8Very high22 Ų2253 Ų5315%0.15425%0.253CS..SBendtrans-156.7159.8-177.771.80000112.2E36 D40 K41 A42E36-S38 PolarHBondContact O-N 2.82Å; E36-S38 VanDerWaalsContact O-N 3.11Å; S38-D40 PolarHBondContact O-N 3.31Å; S38-K41 PolarHBondContact O-N 2.79Å; S38-K41 PolarHBondContact OG-N 3.47Å; S38-A42 WeakPolarHBondContact O-CB 3.25Å; S38-A42 PolarHBondContact O-N 3.06Å
39M94.6Very high95.7Very high6 Ų651.1 Ų51.13%0.0325%0.247CC..Hα-helixtrans-57-34.5175.8-169.2179.469.800112.4S43 I72 F86 N129 A132 F157M39-S43 WeakPolarHBondContact O-CB 3.24Å; M39-S43 PolarHBondContact O-N 3.19Å; M39-I72 HydrophobicContact CG-CB 4.42Å; M39-I72 HydrophobicContact CG-CD1 3.66Å; M39-I72 HydrophobicContact CG-CG2 4.05Å; M39-I72 HydrophobicContact SD-CB 4.47Å; M39-I72 HydrophobicContact SD-CD1 4.15Å; M39-F86 HydrophobicContact CB-CD1 4.29Å; M39-F86 HydrophobicContact CB-CE1 3.84Å; M39-F86 HydrophobicContact CB-CZ 4.5Å; M39-F86 HydrophobicContact CG-CD1 4.44Å; M39-F86 HydrophobicContact CG-CE1 4.41Å; M39-N129 HydrophobicContact CB-CB 4.28Å; M39-N129 PolarHBondContact N-OD1 3.3Å; M39-A132 HydrophobicContact CE-CB 3.56Å; M39-A132 HydrophobicContact SD-CB 4.14Å; M39-F157 HydrophobicContact CE-CB 4.39Å; M39-F157 HydrophobicContact CE-CD1 4.43Å; M39-F157 HydrophobicContact CE-CD2 4.29Å; M39-F157 HydrophobicContact CE-CG 4.11Å; M39-F157 HydrophobicContact SD-CB 3.59Å; M39-F157 VanDerWaalsContact SD-CB 3.59Å; M39-F157 HydrophobicContact SD-CD1 4.19Å; M39-F157 HydrophobicContact SD-CG 3.87Å
40D95Very high95.7Very high59 Ų5950.8 Ų50.832%0.31625%0.246SC..Hα-helixtrans-69.3-39.8-178.1-57.4-49.4000112.3S38 K44 N128 N129S38-D40 PolarHBondContact O-N 3.31Å; D40-K44 WeakPolarHBondContact O-CG 3.46Å; D40-K44 PolarHBondContact O-N 3.16Å; D40-N128 WeakPolarHBondContact OD1-CA 3.49Å; D40-N129 PolarHBondContact OD1-N 2.74Å; D40-N129 WeakPolarHBondContact OD2-CB 3.19Å; D40-N129 PolarHBondContact OD2-N 3.47Å
41K95.7Very high95.5Very high106 Ų10654.3 Ų54.346%0.46126%0.261SS..Hα-helixtrans-72.2-46.5176.1-70.7-172.9-174.3172.50110.9E36 S37 S38 S43 K44 E45E36-K41 HydrophobicContact CB-CB 3.72Å; E36-K41 HydrophobicContact CG-CB 3.89Å; E36-K41 WeakPolarHBondContact OE2-CD 3.31Å; S37-K41 WeakPolarHBondContact OG-CD 3.4Å; S37-K41 WeakPolarHBondContact OG-CE 3.22Å; S37-K41 PolarHBondContact OG-NZ 3.19Å; S38-K41 PolarHBondContact O-N 2.79Å; S38-K41 PolarHBondContact OG-N 3.47Å; K41-S43 VanDerWaalsContact C-N 3.26Å; K41-S43 PolarHBondContact O-N 3.46Å; K41-K44 PolarHBondContact O-N 2.94Å; K41-E45 PolarHBondContact O-N 2.91Å
42A95.6Very high95.4Very high1 Ų158.8 Ų58.81%0.00828%0.278CS..Hα-helixtrans-56-43.3174.800000111.5S34 E36 S38 K44 E45 C46 F86S34-A42 VanDerWaalsContact OG-CA 3.31Å; S34-A42 WeakPolarHBondContact OG-CA 3.35Å; S34-A42 WeakPolarHBondContact OG-CB 3.45Å; E36-A42 HydrophobicContact CB-CB 4.23Å; S38-A42 WeakPolarHBondContact O-CB 3.25Å; S38-A42 PolarHBondContact O-N 3.06Å; A42-K44 VanDerWaalsContact C-N 3.33Å; A42-K44 PolarHBondContact O-N 2.93Å; A42-E45 PolarHBondContact O-N 3.12Å; A42-C46 WeakPolarHBondContact O-CB 3.31Å; A42-C46 PolarHBondContact O-N 3.29Å; A42-C46 PolarHBondContact O-SG 2.9Å; A42-F86 HydrophobicContact CB-CB 3.56Å; A42-F86 HydrophobicContact CB-CD1 4.46Å; A42-F86 HydrophobicContact CB-CD2 3.76Å; A42-F86 HydrophobicContact CB-CG 3.68Å
43S94.7Very high95.4Very high39 Ų3959 Ų5927%0.27328%0.279SS..Hα-helixtrans-58.5-43.4176.5178.40000112.2M39 K41 F47 M88M39-S43 WeakPolarHBondContact O-CB 3.24Å; M39-S43 PolarHBondContact O-N 3.19Å; K41-S43 VanDerWaalsContact C-N 3.26Å; K41-S43 PolarHBondContact O-N 3.46Å; S43-F47 WeakPolarHBondContact O-CB 3.27Å; S43-F47 PolarHBondContact O-N 2.85Å; S43-M88 VanDerWaalsContact OG-CE 3.29Å; S43-M88 WeakPolarHBondContact OG-CE 3.32Å
44K93.3Very high95.4Very high153 Ų15355.5 Ų55.567%0.66526%0.262SS*.Hα-helixtrans-68.2-41.3179.4-71.4172.8-177.6179.20111.8D40 K41 A42D40-K44 WeakPolarHBondContact O-CG 3.46Å; D40-K44 PolarHBondContact O-N 3.16Å; K41-K44 PolarHBondContact O-N 2.94Å; A42-K44 VanDerWaalsContact C-N 3.33Å; A42-K44 PolarHBondContact O-N 2.93Å
45E94.4Very high95.5Very high71 Ų7157.6 Ų57.633%0.33228%0.284SS..Hα-helixtrans-65.7-49.7179.8-164.1-156.3144.800111.5S34 K41 A42 K49S34-E45 WeakPolarHBondContact CB-OE2 3.19Å; S34-E45 PolarHBondContact OG-OE2 2.75Å; K41-E45 PolarHBondContact O-N 2.91Å; A42-E45 PolarHBondContact O-N 3.12Å; E45-K49 IonicContact OE1-NZ 2.71Å; E45-K49 PolarHBondContact OE1-NZ 2.72Å
46C97.4Very high95.7Very high1 Ų152.9 Ų52.91%0.00727%0.267CS..Hα-helixtrans-73.2-39.6-176.4-63.20000112.7A32 S34 A42 W48 K49 L50 M88A32-C46 HydrophobicContact CB-CB 3.95Å; A32-C46 PolarHBondContact O-SG 3.28Å; S34-C46 VanDerWaalsContact CB-SG 3.6Å; A42-C46 WeakPolarHBondContact O-CB 3.31Å; A42-C46 PolarHBondContact O-N 3.29Å; A42-C46 PolarHBondContact O-SG 2.9Å; C46-W48 VanDerWaalsContact C-N 3.33Å; C46-W48 PolarHBondContact O-N 3.4Å; C46-K49 WeakPolarHBondContact O-CB 3.42Å; C46-K49 PolarHBondContact O-N 2.87Å; C46-K49 VanDerWaalsContact O-N 3.1Å; C46-L50 WeakPolarHBondContact O-CG 3.41Å; C46-L50 PolarHBondContact O-N 2.92Å; C46-L50 VanDerWaalsContact O-N 3.12Å; C46-M88 HydrophobicContact CB-CB 3.65Å; C46-M88 HydrophobicContact CB-CG 4.31Å; C46-M88 HydrophobicContact CB-SD 3.91Å
47F95Very high95.9Very high48 Ų4853.6 Ų53.621%0.21127%0.269CS..Hα-helixtrans-56-45.8-171.3176.5-92.4000112.5S43 K49 L50 F51 M88 F90S43-F47 WeakPolarHBondContact O-CB 3.27Å; S43-F47 PolarHBondContact O-N 2.85Å; F47-K49 VanDerWaalsContact C-N 3.33Å; F47-K49 PolarHBondContact O-N 2.87Å; F47-L50 PolarHBondContact O-N 2.98Å; F47-F51 HydrophobicContact CD1-CB 4.41Å; F47-F51 HydrophobicContact CE1-CB 4.11Å; F47-F51 HydrophobicContact CE1-CD2 4.01Å; F47-F51 HydrophobicContact CE1-CG 4.23Å; F47-F51 HydrophobicContact CZ-CB 4.46Å; F47-F51 AromaticContact CZ-CD2 3.84Å; F47-F51 HydrophobicContact CZ-CD2 3.84Å; F47-F51 HydrophobicContact CZ-CG 4.47Å; F47-F51 VanDerWaalsContact O-CB 3.25Å; F47-F51 WeakPolarHBondContact O-CB 3.44Å; F47-F51 PolarHBondContact O-N 3.34Å; F47-M88 HydrophobicContact CB-SD 4.1Å; F47-F90 HydrophobicContact CD2-CE1 4.18Å; F47-F90 AromaticContact CD2-CZ 3.64Å; F47-F90 HydrophobicContact CD2-CZ 3.64Å; F47-F90 AromaticContact CE2-CZ 3.78Å; F47-F90 HydrophobicContact CE2-CZ 3.78Å
48W94.6Very high96.2Very high146 Ų14649.5 Ų49.555%0.55324%0.24SC*.Hα-helixtrans-68.9-31.3-177.6-71.9113.6000113.2C46 F51 R52C46-W48 VanDerWaalsContact C-N 3.33Å; C46-W48 PolarHBondContact O-N 3.4Å; W48-F51 HydrophobicContact CE3-CB 4.37Å; W48-F51 HydrophobicContact CE3-CD1 4.16Å; W48-F51 HydrophobicContact CE3-CG 4.41Å; W48-F51 HydrophobicContact CZ3-CD1 4.05Å; W48-F51 HydrophobicContact CZ3-CE1 4.37Å; W48-F51 HydrophobicContact CZ3-CG 4.47Å; W48-R52 WeakPolarHBondContact O-CG 3.15Å; W48-R52 PolarHBondContact O-N 2.94Å; W48-R52 PolarHBondContact O-NH1 3.46Å
49K97.1Very high96.3Very high42 Ų4251.3 Ų51.318%0.18326%0.256CS..Hα-helixtrans-63.3-48.3173.2-56.2-177.9178.8166.20109.9E45 C46 F47 R52 Y53 E105 V108E45-K49 IonicContact OE1-NZ 2.71Å; E45-K49 PolarHBondContact OE1-NZ 2.72Å; C46-K49 WeakPolarHBondContact O-CB 3.42Å; C46-K49 PolarHBondContact O-N 2.87Å; C46-K49 VanDerWaalsContact O-N 3.1Å; F47-K49 VanDerWaalsContact C-N 3.33Å; F47-K49 PolarHBondContact O-N 2.87Å; K49-R52 PolarHBondContact O-N 3.48Å; K49-Y53 PolarHBondContact O-N 3.47Å; K49-Y53 VanDerWaalsContact O-N 3.16Å; K49-E105 WeakPolarHBondContact CG-OE1 3.34Å; K49-V108 HydrophobicContact CB-CG2 3.65Å
50L98Very high96.5Very high0 Ų054.9 Ų54.90%027%0.273CS..Hα-helixtrans-68-38.3178.5-60-178.9000113V30 A32 C46 F47 R52 Y53 I54 M88 F90 V108V30-L50 HydrophobicContact CG1-CD2 4.34Å; V30-L50 HydrophobicContact CG2-CD2 3.92Å; A32-L50 HydrophobicContact CB-CD2 4.04Å; A32-L50 HydrophobicContact CB-CG 4.22Å; C46-L50 WeakPolarHBondContact O-CG 3.41Å; C46-L50 PolarHBondContact O-N 2.92Å; C46-L50 VanDerWaalsContact O-N 3.12Å; F47-L50 PolarHBondContact O-N 2.98Å; L50-R52 PolarHBondContact O-N 3.18Å; L50-Y53 WeakPolarHBondContact O-CB 3.49Å; L50-Y53 PolarHBondContact O-N 2.78Å; L50-I54 PolarHBondContact O-N 3.29Å; L50-M88 HydrophobicContact CD1-CB 4.17Å; L50-M88 HydrophobicContact CD1-CG 3.63Å; L50-M88 HydrophobicContact CD1-SD 3.95Å; L50-F90 HydrophobicContact CB-CD1 4.44Å; L50-F90 HydrophobicContact CB-CD2 3.79Å; L50-F90 HydrophobicContact CB-CE1 4.16Å; L50-F90 HydrophobicContact CB-CE2 3.47Å; L50-F90 VanDerWaalsContact CB-CE2 3.47Å; L50-F90 HydrophobicContact CB-CG 4.26Å; L50-F90 HydrophobicContact CB-CZ 3.67Å; L50-F90 HydrophobicContact CD1-CD1 3.8Å; L50-F90 HydrophobicContact CD1-CE1 3.79Å; L50-F90 HydrophobicContact CD1-CG 4.18Å; L50-F90 HydrophobicContact CD1-CZ 4.17Å; L50-V108 HydrophobicContact CD2-CG1 3.98Å
51F95.6Very high96.7Very high76 Ų7660.6 Ų60.633%0.33330%0.295SS..Hα-helixtrans-62.8-41.5176.8-172.1-92.2000111.6F47 W48 I54 G55 M66F47-F51 HydrophobicContact CD1-CB 4.41Å; F47-F51 HydrophobicContact CE1-CB 4.11Å; F47-F51 HydrophobicContact CE1-CD2 4.01Å; F47-F51 HydrophobicContact CE1-CG 4.23Å; F47-F51 HydrophobicContact CZ-CB 4.46Å; F47-F51 AromaticContact CZ-CD2 3.84Å; F47-F51 HydrophobicContact CZ-CD2 3.84Å; F47-F51 HydrophobicContact CZ-CG 4.47Å; F47-F51 VanDerWaalsContact O-CB 3.25Å; F47-F51 WeakPolarHBondContact O-CB 3.44Å; F47-F51 PolarHBondContact O-N 3.34Å; W48-F51 HydrophobicContact CE3-CB 4.37Å; W48-F51 HydrophobicContact CE3-CD1 4.16Å; W48-F51 HydrophobicContact CE3-CG 4.41Å; W48-F51 HydrophobicContact CZ3-CD1 4.05Å; W48-F51 HydrophobicContact CZ3-CE1 4.37Å; W48-F51 HydrophobicContact CZ3-CG 4.47Å; F51-I54 HydrophobicContact CD2-CD1 4.35Å; F51-I54 WeakPolarHBondContact O-CG1 3.38Å; F51-G55 PolarHBondContact O-N 2.58Å; F51-M66 HydrophobicContact CD2-CE 4.04Å; F51-M66 HydrophobicContact CE2-CE 3.35Å; F51-M66 HydrophobicContact CZ-CE 4.15Å
52R97.5Very high96.8Very high94 Ų9458 Ų5836%0.35529%0.288SS..Hα-helixtrans-63.3-42.1173.4-76.2-173.2-67.2-89.43.4111.8W48 K49 L50 G55 G56 K57 E105W48-R52 WeakPolarHBondContact O-CG 3.15Å; W48-R52 PolarHBondContact O-N 2.94Å; W48-R52 PolarHBondContact O-NH1 3.46Å; K49-R52 PolarHBondContact O-N 3.48Å; L50-R52 PolarHBondContact O-N 3.18Å; R52-G55 CarbonylContact O-C 3.53Å; R52-G55 WeakPolarHBondContact O-CA 3.22Å; R52-G55 PolarHBondContact O-N 3.06Å; R52-G55 VanDerWaalsContact O-N 3.15Å; R52-G56 PolarHBondContact O-N 2.66Å; R52-K57 HydrophobicContact CB-CB 3.97Å; R52-K57 HydrophobicContact CB-CD 3.99Å; R52-K57 WeakPolarHBondContact O-CB 3.34Å; R52-K57 PolarHBondContact O-N 3.08Å; R52-E105 IonicContact CZ-OE1 2.66Å; R52-E105 IonicContact CZ-OE2 3.46Å; R52-E105 IonicContact NE-OE1 2.86Å; R52-E105 IonicContact NE-OE2 3.52Å; R52-E105 PolarHBondContact NE-OE2 3.1Å; R52-E105 IonicContact NH2-OE1 3.58Å; R52-E105 PolarHBondContact NH2-OE1 2.85Å; R52-E105 IonicContact NH2-OE2 2.82Å; R52-E105 PolarHBondContact NH2-OE2 2.71Å
53Y98.5Very high96.9Very high3 Ų365.9 Ų65.91%0.01232%0.322CS..Hα-helixtrans-56.3-52.8176.4167-88.8000111.6V30 K49 L50 G55 G56 N58 V64 P101 P103V30-Y53 HydrophobicContact CB-CD1 4Å; V30-Y53 HydrophobicContact CB-CE1 3.75Å; V30-Y53 HydrophobicContact CG1-CD1 3.69Å; V30-Y53 HydrophobicContact CG1-CE1 3.66Å; V30-Y53 HydrophobicContact CG2-CD1 3.66Å; V30-Y53 HydrophobicContact CG2-CD2 4.08Å; V30-Y53 HydrophobicContact CG2-CE1 3.76Å; V30-Y53 HydrophobicContact CG2-CE2 4.16Å; V30-Y53 HydrophobicContact CG2-CG 3.83Å; K49-Y53 PolarHBondContact O-N 3.47Å; K49-Y53 VanDerWaalsContact O-N 3.16Å; L50-Y53 WeakPolarHBondContact O-CB 3.49Å; L50-Y53 PolarHBondContact O-N 2.78Å; Y53-G55 PolarHBondContact O-N 2.94Å; Y53-G56 PolarHBondContact O-N 3.24Å; Y53-G56 VanDerWaalsContact O-N 3.09Å; Y53-N58 HydrophobicContact CD2-CB 3.83Å; Y53-N58 HydrophobicContact CE2-CB 3.75Å; Y53-N58 PolarHBondContact O-ND2 2.88Å; Y53-V64 HydrophobicContact CE1-CG2 4.14Å; Y53-P101 HydrophobicContact CE2-CB 4.3Å; Y53-P101 VanDerWaalsContact CE2-O 3.28Å; Y53-P101 WeakPolarHBondContact CE2-O 3.12Å; Y53-P101 WeakPolarHBondContact OH-CD 3.12Å; Y53-P101 PolarHBondContact OH-O 3.03Å; Y53-P103 HydrophobicContact CD2-CB 4.15Å; Y53-P103 HydrophobicContact CD2-CG 4.12Å; Y53-P103 HydrophobicContact CE2-CB 4.3Å; Y53-P103 HydrophobicContact CE2-CG 3.84Å
54I96.7Very high97.1Very high13 Ų1364.4 Ų64.47%0.06731%0.311CS..Hα-helixtrans-67.9-23.917965.3172.1000112.3L50 F51 G56 K63 V64 M66 F90L50-I54 PolarHBondContact O-N 3.29Å; F51-I54 HydrophobicContact CD2-CD1 4.35Å; F51-I54 WeakPolarHBondContact O-CG1 3.38Å; I54-G56 VanDerWaalsContact C-N 3.25Å; I54-G56 PolarHBondContact O-N 3.46Å; I54-K63 CarbonylContact O-C 3.59Å; I54-K63 WeakPolarHBondContact O-CA 3.45Å; I54-V64 HydrophobicContact CB-CB 4.09Å; I54-V64 HydrophobicContact CG2-CB 4.08Å; I54-V64 HydrophobicContact CG2-CG1 4.41Å; I54-V64 PolarHBondContact O-N 3.45Å; I54-M66 HydrophobicContact CD1-CE 3.98Å; I54-M66 HydrophobicContact CD1-CG 3.62Å; I54-F90 HydrophobicContact CD1-CD2 4.21Å; I54-F90 HydrophobicContact CD1-CE2 4.05Å; I54-F90 HydrophobicContact CG2-CD2 4.08Å
55G97Very high97.2Very high46 Ų4660.6 Ų60.647%0.47430%0.302SS..THydrogen-bonded Turntrans-74.9-5.1173.400000115.1F51 R52 Y53F51-G55 PolarHBondContact O-N 2.58Å; R52-G55 CarbonylContact O-C 3.53Å; R52-G55 WeakPolarHBondContact O-CA 3.22Å; R52-G55 PolarHBondContact O-N 3.06Å; R52-G55 VanDerWaalsContact O-N 3.15Å; Y53-G55 PolarHBondContact O-N 2.94Å
56G97.7Very high97.1Very high19 Ų1962.2 Ų62.220%0.19631%0.311CS..THydrogen-bonded Turntrans114.12.8179.600000115.2R52 Y53 I54 N58 K61 V62R52-G56 PolarHBondContact O-N 2.66Å; Y53-G56 PolarHBondContact O-N 3.24Å; Y53-G56 VanDerWaalsContact O-N 3.09Å; I54-G56 VanDerWaalsContact C-N 3.25Å; I54-G56 PolarHBondContact O-N 3.46Å; G56-N58 PolarHBondContact O-N 2.95Å; G56-K61 WeakPolarHBondContact O-CA 3.3Å; G56-V62 WeakPolarHBondContact CA-O 3.25Å
57K97.8Very high97.1Very high90 Ų9062.9 Ų62.939%0.39132%0.315SS..  trans-79.863.9171.2-163.3178176.6-172.90110.6R52 T104 E105R52-K57 HydrophobicContact CB-CB 3.97Å; R52-K57 HydrophobicContact CB-CD 3.99Å; R52-K57 WeakPolarHBondContact O-CB 3.34Å; R52-K57 PolarHBondContact O-N 3.08Å; K57-T104 PolarHBondContact O-OG1 2.71Å; K57-E105 HydrophobicContact CD-CB 4.46Å; K57-E105 WeakPolarHBondContact CD-OE2 3.3Å; K57-E105 WeakPolarHBondContact CE-OE2 3.39Å; K57-E105 IonicContact NZ-OE2 3.56Å; K57-E105 PolarHBondContact NZ-OE2 2.9Å
58N98.5Very high97.1Very high5 Ų560.7 Ų60.73%0.02731%0.306CS..BIsolated β-bridgetrans-140.8164.4175.355.668.2000108.3Y53 G56 Q60 K61 V62 P101 T102Y53-N58 HydrophobicContact CD2-CB 3.83Å; Y53-N58 HydrophobicContact CE2-CB 3.75Å; Y53-N58 PolarHBondContact O-ND2 2.88Å; G56-N58 PolarHBondContact O-N 2.95Å; N58-Q60 PolarHBondContact O-N 2.87Å; N58-Q60 PolarHBondContact OD1-N 2.9Å; N58-K61 PolarHBondContact O-N 3.37Å; N58-K61 PolarHBondContact OD1-N 2.95Å; N58-V62 PolarHBondContact ND2-O 2.67Å; N58-V62 PolarHBondContact OD1-N 2.68Å; N58-V62 VanDerWaalsContact OD1-N 3.1Å; N58-P101 HydrophobicContact CB-CB 3.76Å; N58-T102 CarbonylContact C-O 3.54Å; N58-T102 VanDerWaalsContact CA-O 3.29Å; N58-T102 WeakPolarHBondContact CA-O 3.48Å; N58-T102 WeakPolarHBondContact CB-O 3.41Å
59A98.4Very high97.2Very high59 Ų5953.8 Ų53.849%0.48828%0.28SS..THydrogen-bonded Turntrans-59.8-34.6-172.400000112.6K61 T102 T104A59-K61 VanDerWaalsContact C-N 3.3Å; A59-K61 PolarHBondContact O-N 2.94Å; A59-T102 PolarHBondContact N-O 3.18Å; A59-T104 HydrophobicContact CB-CG2 4.04Å
60Q98.4Very high97.2Very high82 Ų8253.5 Ų53.538%0.38328%0.281SS..THydrogen-bonded Turntrans-81-7.9-179.3-65.581.2-8.400113N58 V62 P101N58-Q60 PolarHBondContact O-N 2.87Å; N58-Q60 PolarHBondContact OD1-N 2.9Å; Q60-V62 HydrophobicContact CB-CG1 4.08Å; Q60-V62 HydrophobicContact CB-CG2 4.02Å; Q60-V62 WeakPolarHBondContact O-CG1 3.19Å; Q60-V62 PolarHBondContact O-N 2.96Å; Q60-V62 VanDerWaalsContact O-N 3.17Å; Q60-P101 VanDerWaalsContact OE1-CA 3.25Å
61K98.3Very high97.2Very high178 Ų17853.5 Ų53.577%0.77428%0.281SS*.  trans54.728.5-177.1-55.9179.7-178.8177.10113.8G56 N58 A59G56-K61 WeakPolarHBondContact O-CA 3.3Å; N58-K61 PolarHBondContact O-N 3.37Å; N58-K61 PolarHBondContact OD1-N 2.95Å; A59-K61 VanDerWaalsContact C-N 3.3Å; A59-K61 PolarHBondContact O-N 2.94Å
62V98.5Very high97.3Very high51 Ų5150 Ų5031%0.30927%0.266SS..PPolyproline II helixtrans-97.2144-177.7-63.80000111.4G56 N58 Q60 F96 P101G56-V62 WeakPolarHBondContact CA-O 3.25Å; N58-V62 PolarHBondContact ND2-O 2.67Å; N58-V62 PolarHBondContact OD1-N 2.68Å; N58-V62 VanDerWaalsContact OD1-N 3.1Å; Q60-V62 HydrophobicContact CB-CG1 4.08Å; Q60-V62 HydrophobicContact CB-CG2 4.02Å; Q60-V62 WeakPolarHBondContact O-CG1 3.19Å; Q60-V62 PolarHBondContact O-N 2.96Å; Q60-V62 VanDerWaalsContact O-N 3.17Å; V62-F96 HydrophobicContact CG2-CE1 4.03Å; V62-F96 HydrophobicContact CG2-CZ 4.5Å; V62-P101 HydrophobicContact CG2-CB 4.02Å; V62-P101 HydrophobicContact CG2-CG 3.48Å; V62-P101 VanDerWaalsContact CG2-CG 3.48Å
63K98.1Very high97.3Very high167 Ų16746.4 Ų46.473%0.72625%0.254SS*.PPolyproline II helixtrans-76131.2169.3-68-176.5179.8178.70109.5I54I54-K63 CarbonylContact O-C 3.59Å; I54-K63 WeakPolarHBondContact O-CA 3.45Å
64V97.7Very high97.2Very high9 Ų946.3 Ų46.36%0.05525%0.253CS..PPolyproline II helixtrans-102.7126.4173.8-177.10000107.8Y53 I54 P93 F96 P101Y53-V64 HydrophobicContact CE1-CG2 4.14Å; I54-V64 HydrophobicContact CB-CB 4.09Å; I54-V64 HydrophobicContact CG2-CB 4.08Å; I54-V64 HydrophobicContact CG2-CG1 4.41Å; I54-V64 PolarHBondContact O-N 3.45Å; V64-P93 VanDerWaalsContact CG1-CD 3.43Å; V64-P93 HydrophobicContact CG1-CG 3.73Å; V64-F96 HydrophobicContact CG1-CD2 4.33Å; V64-P101 HydrophobicContact CG2-CG 3.87Å
65P95.3Very high97.2Very high72 Ų7248.8 Ų48.847%0.46826%0.264SS..PPolyproline II helixtrans-55.8143.9176.5-26.934.3000112.7P93P65-P93 HydrophobicContact CB-CG 4.16Å; P65-P93 HydrophobicContact CG-CG 4.21Å
66M94.1Very high97Very high105 Ų10549.5 Ų49.552%0.51726%0.26SS..PPolyproline II helixtrans-69.2141.2170.4-70.2177.9-169.800110.4F51 I54F51-M66 HydrophobicContact CD2-CE 4.04Å; F51-M66 HydrophobicContact CE2-CE 3.35Å; F51-M66 HydrophobicContact CZ-CE 4.15Å; I54-M66 HydrophobicContact CD1-CE 3.98Å; I54-M66 HydrophobicContact CD1-CG 3.62Å
67T95.7Very high96.7Very high15 Ų1549.6 Ų49.69%0.09226%0.256CS..EExtended strand (participates in β ladder)trans-131.7173.4-17962.10000110.7E4 Y91 P93E4-T67 HydrophobicContact CB-CG2 4.25Å; E4-T67 CarbonylContact O-C 3.53Å; E4-T67 WeakPolarHBondContact O-CA 3.47Å; E4-T67 WeakPolarHBondContact O-CB 3.23Å; T67-Y91 HydrophobicContact CG2-CD1 3.89Å; T67-Y91 HydrophobicContact CG2-CE1 4.48Å; T67-Y91 WeakPolarHBondContact CG2-O 3.29Å; T67-Y91 WeakPolarHBondContact OG1-CB 3.42Å; T67-Y91 PolarHBondContact OG1-O 2.7Å; T67-P93 HydrophobicContact CG2-CB 3.75Å; T67-P93 HydrophobicContact CG2-CG 4.02Å
68A96Very high96.2Very high2 Ų253.2 Ų53.22%0.01728%0.279CS..EExtended strand (participates in β ladder)trans-128.9158.8170.900000112.1I3 E4 T5 A6 Y160I3-A68 HydrophobicContact CD1-CB 3.67Å; I3-A68 HydrophobicContact CG1-CB 4.23Å; E4-A68 PolarHBondContact O-N 3.22Å; T5-A68 CarbonylContact C-O 3.52Å; T5-A68 WeakPolarHBondContact CA-O 3.25Å; T5-A68 HydrophobicContact CG2-CB 4.21Å; A6-A68 PolarHBondContact N-O 3.34Å; A68-Y160 HydrophobicContact CB-CD1 3.98Å
69P96.9Very high95.6Very high1 Ų161.9 Ų61.91%0.00632%0.32CS..PPolyproline II helixcis-76161.6-12.131.7-32.6000112.1W29 T71 A158 G159 Y160 W174W29-P69 HydrophobicContact CH2-CG 4.37Å; W29-P69 WeakPolarHBondContact CZ3-O 3.43Å; P69-T71 HydrophobicContact CG-CG2 3.97Å; P69-A158 HydrophobicContact CB-CB 3.78Å; P69-A158 HydrophobicContact CG-CB 3.93Å; P69-G159 CarbonylContact C-O 3.59Å; P69-G159 VanDerWaalsContact CA-O 3.31Å; P69-G159 WeakPolarHBondContact CA-O 3.34Å; P69-G159 WeakPolarHBondContact CB-O 3.32Å; P69-Y160 HydrophobicContact CB-CD1 4.29Å; P69-Y160 HydrophobicContact CB-CD2 4.02Å; P69-Y160 HydrophobicContact CB-CE1 4.09Å; P69-Y160 HydrophobicContact CB-CE2 3.79Å; P69-Y160 HydrophobicContact CB-CG 4.26Å; P69-Y160 HydrophobicContact CG-CE1 4.3Å; P69-Y160 HydrophobicContact CG-CE2 4.29Å; P69-W174 HydrophobicContact CG-CH2 3.73Å; P69-W174 HydrophobicContact CG-CZ2 3.87Å
70V96.1Very high95.1Very high36 Ų3660.9 Ų60.922%0.21831%0.309CS..EExtended strand (participates in β ladder)trans-77.2123.1153.4175.40000107.1M88 F90 A158 G159V70-M88 HydrophobicContact CG1-CE 3.93Å; V70-M88 HydrophobicContact CG1-CG 3.96Å; V70-M88 HydrophobicContact CG1-SD 4.1Å; V70-F90 HydrophobicContact CB-CD1 4.21Å; V70-F90 HydrophobicContact CB-CE1 4.21Å; V70-F90 HydrophobicContact CG1-CD1 3.83Å; V70-F90 HydrophobicContact CG1-CE1 3.62Å; V70-F90 HydrophobicContact CG2-CD1 3.65Å; V70-F90 HydrophobicContact CG2-CE1 3.56Å; V70-F90 HydrophobicContact CG2-CZ 4.44Å; V70-A158 CarbonylContact O-C 3.53Å; V70-A158 WeakPolarHBondContact O-CA 3.5Å; V70-G159 PolarHBondContact N-O 3.23Å; V70-G159 PolarHBondContact O-N 3.22Å
71T97.8Very high94.4Very high0 Ų064.1 Ų64.10%033%0.334CS..EExtended strand (participates in β ladder)trans-102.5147.117956.60000111W29 P69 M88 G89 R113 F157 A158 W174W29-T71 HydrophobicContact CE3-CG2 4.48Å; W29-T71 HydrophobicContact CH2-CG2 3.67Å; W29-T71 HydrophobicContact CZ3-CG2 3.62Å; P69-T71 HydrophobicContact CG-CG2 3.97Å; T71-M88 CarbonylContact O-C 3.58Å; T71-M88 VanDerWaalsContact O-CA 3.24Å; T71-M88 WeakPolarHBondContact O-CA 3.49Å; T71-G89 PolarHBondContact N-O 3.09Å; T71-G89 PolarHBondContact O-N 3.12Å; T71-G89 PolarHBondContact OG1-O 2.77Å; T71-R113 PolarHBondContact OG1-NH1 3.01Å; T71-R113 PolarHBondContact OG1-NH2 3.49Å; T71-R113 VanDerWaalsContact OG1-NH2 3.14Å; T71-F157 CarbonylContact C-O 3.45Å; T71-F157 VanDerWaalsContact CA-O 3.26Å; T71-F157 WeakPolarHBondContact CA-O 3.46Å; T71-A158 HydrophobicContact CG2-CB 4.4Å; T71-W174 HydrophobicContact CG2-CH2 4.01Å; T71-W174 HydrophobicContact CG2-CZ3 3.95Å
72I98Very high93.8Very high4 Ų463.9 Ų63.92%0.02134%0.338CS..EExtended strand (participates in β ladder)trans-129.4109.2165.2-53.9174000107.3M39 F86 T87 M88 Y156 F157M39-I72 HydrophobicContact CG-CB 4.42Å; M39-I72 HydrophobicContact CG-CD1 3.66Å; M39-I72 HydrophobicContact CG-CG2 4.05Å; M39-I72 HydrophobicContact SD-CB 4.47Å; M39-I72 HydrophobicContact SD-CD1 4.15Å; I72-F86 HydrophobicContact CG2-CB 4.15Å; I72-F86 HydrophobicContact CG2-CD1 4.01Å; I72-T87 CarbonylContact C-O 3.59Å; I72-T87 WeakPolarHBondContact CA-O 3.4Å; I72-M88 HydrophobicContact CD1-CE 3.57Å; I72-M88 HydrophobicContact CG1-CB 4.28Å; I72-M88 HydrophobicContact CG1-CE 3.72Å; I72-M88 HydrophobicContact CG1-CG 4.26Å; I72-Y156 WeakPolarHBondContact O-CA 3.31Å; I72-F157 HydrophobicContact CB-CB 4.45Å; I72-F157 HydrophobicContact CB-CD1 4.47Å; I72-F157 HydrophobicContact CD1-CD1 4.05Å; I72-F157 HydrophobicContact CG1-CD1 4.22Å; I72-F157 PolarHBondContact N-O 3.02Å; I72-F157 PolarHBondContact O-N 3.43Å
73E97.9Very high93.5Very high18 Ų1867.4 Ų67.48%0.08435%0.349CS..EExtended strand (participates in β ladder)trans-72.9126.6165.3-171.9-179.2-12100108.2F86 T87 P154 Y156E73-F86 CarbonylContact O-C 3.6Å; E73-F86 VanDerWaalsContact O-CA 3.28Å; E73-F86 WeakPolarHBondContact O-CA 3.49Å; E73-T87 PolarHBondContact N-O 2.78Å; E73-T87 PolarHBondContact O-N 2.9Å; E73-P154 HydrophobicContact CG-CB 3.79Å; E73-P154 HydrophobicContact CG-CG 4.41Å; E73-Y156 HydrophobicContact CB-CD1 3.69Å; E73-Y156 HydrophobicContact CB-CE1 3.48Å; E73-Y156 VanDerWaalsContact CB-CE1 3.48Å; E73-Y156 HydrophobicContact CG-CD1 4.06Å; E73-Y156 HydrophobicContact CG-CE1 3.53Å; E73-Y156 VanDerWaalsContact OE1-CZ 3.26Å; E73-Y156 PolarHBondContact OE1-OH 3Å
74S97.4Very high93.3Very high1 Ų162.7 Ų62.71%0.00733%0.327CS..EExtended strand (participates in β ladder)trans-110.6118.2170.1-169.20000108.1R84 F86 P154 F155S74-R84 PolarHBondContact O-NH2 2.87Å; S74-R84 PolarHBondContact OG-NE 3Å; S74-R84 PolarHBondContact OG-NH2 3.41Å; S74-R84 VanDerWaalsContact OG-NH2 3.14Å; S74-F86 WeakPolarHBondContact OG-CE1 3.31Å; S74-P154 VanDerWaalsContact O-CA 3.3Å; S74-P154 WeakPolarHBondContact O-CA 3.22Å; S74-P154 WeakPolarHBondContact O-CB 3.45Å; S74-F155 PolarHBondContact N-O 3.32Å; S74-F155 PolarHBondContact O-N 3.38Å
75K95.3Very high93.2Very high65 Ų6562.5 Ų62.528%0.28333%0.326SS..EExtended strand (participates in β ladder)trans-128.3153.9-178.468.7-175.6175.4-170.40111.7R84 C85 P154K75-R84 CarbonylContact O-C 3.5Å; K75-R84 WeakPolarHBondContact O-CA 3.5Å; K75-R84 WeakPolarHBondContact O-CB 3.47Å; K75-C85 HydrophobicContact CD-CB 4.44Å; K75-C85 VanDerWaalsContact CE-SG 3.58Å; K75-C85 HydrophobicContact CG-CB 3.88Å; K75-C85 WeakPolarHBondContact CG-O 3.22Å; K75-C85 PolarHBondContact N-O 3.42Å; K75-C85 PolarHBondContact O-N 2.97Å; K75-P154 HydrophobicContact CB-CB 3.85Å
76P94Very high93.3Very high61 Ų6159.2 Ų59.240%0.39630%0.304SS..EExtended strand (participates in β ladder)trans-57.8144.1169.7-21.935.4000110.6D153P76-D153 WeakPolarHBondContact CD-OD1 3.37Å; P76-D153 VanDerWaalsContact CG-OD2 3.25Å; P76-D153 WeakPolarHBondContact CG-OD2 3.22Å
77D90.6Very high93.5Very high20 Ų2054.4 Ų54.411%0.10728%0.281CS..EExtended strand (participates in β ladder)trans-80.1126.3172.4-168.7-69.1000109.8H35 Q79 S80 K83H35-D77 IonicContact CE1-OD2 2.91Å; H35-D77 PolarHBondContact CE1-OD2 2.82Å; H35-D77 IonicContact ND1-OD2 2.72Å; H35-D77 PolarHBondContact ND1-OD2 3.5Å; D77-Q79 PolarHBondContact O-N 2.8Å; D77-Q79 WeakPolarHBondContact OD1-CA 3.2Å; D77-Q79 WeakPolarHBondContact OD1-CB 3.2Å; D77-Q79 PolarHBondContact OD1-N 2.86Å; D77-S80 CarbonylContact O-C 3.57Å; D77-S80 PolarHBondContact O-N 2.89Å; D77-S80 PolarHBondContact OD1-N 2.88Å; D77-K83 HydrophobicContact CB-CB 3.77Å; D77-K83 WeakPolarHBondContact CB-O 3.38Å; D77-K83 PolarHBondContact N-O 3.18Å
78N87.3Confident93.6Very high167 Ų16753.9 Ų53.989%0.89328%0.277SS*.THydrogen-bonded Turntrans-64.2-21.3-177.8-69-6.4000113.2
79Q86.8Confident93.7Very high187 Ų18753.8 Ų53.887%0.87428%0.276SS*.THydrogen-bonded Turntrans-99.8-11.8-177.3-54.8-179.221.200112.3D77D77-Q79 PolarHBondContact O-N 2.8Å; D77-Q79 WeakPolarHBondContact OD1-CA 3.2Å; D77-Q79 WeakPolarHBondContact OD1-CB 3.2Å; D77-Q79 PolarHBondContact OD1-N 2.86Å
80S87.7Confident93.8Very high37 Ų3754.4 Ų54.426%0.25928%0.279SS..EExtended strand (participates in β ladder)trans-151.8118-178.2-175.50000112.6D77 M82 K83D77-S80 CarbonylContact O-C 3.57Å; D77-S80 PolarHBondContact O-N 2.89Å; D77-S80 PolarHBondContact OD1-N 2.88Å; S80-M82 PolarHBondContact O-N 2.85Å; S80-M82 VanDerWaalsContact O-N 3.1Å; S80-K83 PolarHBondContact O-N 3.24Å
81V84Confident93.9Very high150 Ų15053 Ų5391%0.90927%0.27SS*.EExtended strand (participates in β ladder)trans-59.5-24176-173.80000112.6
82M85.1Confident93.9Very high174 Ų17453 Ų5386%0.85727%0.27SS*.EExtended strand (participates in β ladder)trans-90.5-5.8-179.1-62.6-59.7-6500113.5S80S80-M82 PolarHBondContact O-N 2.85Å; S80-M82 VanDerWaalsContact O-N 3.1Å
83K91.3Very high93.9Very high125 Ų12552.9 Ų52.954%0.54327%0.27SS..EExtended strand (participates in β ladder)trans-116.9160.3-174.9-64-176.6179.5-179.10111.5D77 S80D77-K83 HydrophobicContact CB-CB 3.77Å; D77-K83 WeakPolarHBondContact CB-O 3.38Å; D77-K83 PolarHBondContact N-O 3.18Å; S80-K83 PolarHBondContact O-N 3.24Å
84R94.2Very high93.9Very high67 Ų6758 Ų5825%0.25329%0.293SS..EExtended strand (participates in β ladder)trans-125.8147.6173.8-60.5-175.570.6770.9108.5S74 K75 F86 D153S74-R84 PolarHBondContact O-NH2 2.87Å; S74-R84 PolarHBondContact OG-NE 3Å; S74-R84 PolarHBondContact OG-NH2 3.41Å; S74-R84 VanDerWaalsContact OG-NH2 3.14Å; K75-R84 CarbonylContact O-C 3.5Å; K75-R84 WeakPolarHBondContact O-CA 3.5Å; K75-R84 WeakPolarHBondContact O-CB 3.47Å; R84-F86 HydrophobicContact CB-CE2 3.96Å; R84-F86 HydrophobicContact CB-CZ 3.94Å; R84-D153 IonicContact CZ-OD1 3.51Å; R84-D153 IonicContact CZ-OD2 2.83Å; R84-D153 IonicContact NH1-OD1 3.48Å; R84-D153 IonicContact NH1-OD2 2.75Å; R84-D153 PolarHBondContact NH1-OD2 3.3Å; R84-D153 IonicContact NH2-OD1 3.59Å; R84-D153 PolarHBondContact NH2-OD1 2.91Å; R84-D153 IonicContact NH2-OD2 3.66Å
85C96.1Very high93.9Very high5 Ų562 Ų623%0.03433%0.326CS..EExtended strand (participates in β ladder)trans-102.3140167.8-179.60000108K75K75-C85 HydrophobicContact CD-CB 4.44Å; K75-C85 VanDerWaalsContact CE-SG 3.58Å; K75-C85 HydrophobicContact CG-CB 3.88Å; K75-C85 WeakPolarHBondContact CG-O 3.22Å; K75-C85 PolarHBondContact N-O 3.42Å; K75-C85 PolarHBondContact O-N 2.97Å
86F97.1Very high94Very high4 Ų461.1 Ų61.12%0.01832%0.323CS..EExtended strand (participates in β ladder)trans-118.6126.1-179.3-61.7-86.1000109.9M33 S34 E36 M39 A42 I72 E73 S74 R84M33-F86 CarbonylContact C-O 3.55Å; M33-F86 VanDerWaalsContact CA-O 3.3Å; M33-F86 WeakPolarHBondContact CA-O 3.33Å; S34-F86 PolarHBondContact N-O 3.28Å; S34-F86 PolarHBondContact O-N 3.32Å; E36-F86 VanDerWaalsContact O-CE2 3.27Å; E36-F86 WeakPolarHBondContact O-CE2 3.36Å; M39-F86 HydrophobicContact CB-CD1 4.29Å; M39-F86 HydrophobicContact CB-CE1 3.84Å; M39-F86 HydrophobicContact CB-CZ 4.5Å; M39-F86 HydrophobicContact CG-CD1 4.44Å; M39-F86 HydrophobicContact CG-CE1 4.41Å; A42-F86 HydrophobicContact CB-CB 3.56Å; A42-F86 HydrophobicContact CB-CD1 4.46Å; A42-F86 HydrophobicContact CB-CD2 3.76Å; A42-F86 HydrophobicContact CB-CG 3.68Å; I72-F86 HydrophobicContact CG2-CB 4.15Å; I72-F86 HydrophobicContact CG2-CD1 4.01Å; E73-F86 CarbonylContact O-C 3.6Å; E73-F86 VanDerWaalsContact O-CA 3.28Å; E73-F86 WeakPolarHBondContact O-CA 3.49Å; S74-F86 WeakPolarHBondContact OG-CE1 3.31Å; R84-F86 HydrophobicContact CB-CE2 3.96Å; R84-F86 HydrophobicContact CB-CZ 3.94Å
87T97.9Very high94.2Very high4 Ų459.1 Ų59.13%0.02531%0.308CS..EExtended strand (participates in β ladder)trans-111.8105.3173.3-48.20000108.7C31 M33 I72 E73 F109C31-T87 HydrophobicContact CB-CG2 3.96Å; M33-T87 HydrophobicContact CG-CG2 4.09Å; I72-T87 CarbonylContact C-O 3.59Å; I72-T87 WeakPolarHBondContact CA-O 3.4Å; E73-T87 PolarHBondContact N-O 2.78Å; E73-T87 PolarHBondContact O-N 2.9Å; T87-F109 HydrophobicContact CG2-CZ 4.12Å
88M98.3Very high94.6Very high4 Ų463 Ų632%0.0234%0.336CS..EExtended strand (participates in β ladder)trans-84.4135.1171.8179.5176.5-88.800109.6C31 A32 S43 C46 F47 L50 V70 T71 I72 F90C31-M88 CarbonylContact C-O 3.51Å; C31-M88 WeakPolarHBondContact CA-O 3.33Å; A32-M88 PolarHBondContact N-O 2.92Å; A32-M88 PolarHBondContact O-N 3.44Å; S43-M88 VanDerWaalsContact OG-CE 3.29Å; S43-M88 WeakPolarHBondContact OG-CE 3.32Å; C46-M88 HydrophobicContact CB-CB 3.65Å; C46-M88 HydrophobicContact CB-CG 4.31Å; C46-M88 HydrophobicContact CB-SD 3.91Å; F47-M88 HydrophobicContact CB-SD 4.1Å; L50-M88 HydrophobicContact CD1-CB 4.17Å; L50-M88 HydrophobicContact CD1-CG 3.63Å; L50-M88 HydrophobicContact CD1-SD 3.95Å; V70-M88 HydrophobicContact CG1-CE 3.93Å; V70-M88 HydrophobicContact CG1-CG 3.96Å; V70-M88 HydrophobicContact CG1-SD 4.1Å; T71-M88 CarbonylContact O-C 3.58Å; T71-M88 VanDerWaalsContact O-CA 3.24Å; T71-M88 WeakPolarHBondContact O-CA 3.49Å; I72-M88 HydrophobicContact CD1-CE 3.57Å; I72-M88 HydrophobicContact CG1-CB 4.28Å; I72-M88 HydrophobicContact CG1-CE 3.72Å; I72-M88 HydrophobicContact CG1-CG 4.26Å; M88-F90 HydrophobicContact CG-CE1 4.43Å; M88-F90 HydrophobicContact SD-CE1 4.08Å
89G98.4Very high95.1Very high0 Ų060.6 Ų60.60%032%0.324CS..EExtended strand (participates in β ladder)trans-134.9134.9177.800000113.4V30 C31 T71V30-G89 WeakPolarHBondContact O-CA 3.42Å; C31-G89 VanDerWaalsContact SG-CA 3.53Å; T71-G89 PolarHBondContact N-O 3.09Å; T71-G89 PolarHBondContact O-N 3.12Å; T71-G89 PolarHBondContact OG1-O 2.77Å
90F97.8Very high95.6Very high14 Ų1452.4 Ų52.46%0.06129%0.287CS..EExtended strand (participates in β ladder)trans-98.2134.3165.6-64.5-2.9000109.4W29 V30 F47 L50 I54 V70 M88 I92W29-F90 VanDerWaalsContact CA-O 3.31Å; W29-F90 WeakPolarHBondContact CA-O 3.46Å; V30-F90 HydrophobicContact CG1-CB 3.88Å; V30-F90 PolarHBondContact N-O 2.8Å; V30-F90 PolarHBondContact O-N 2.98Å; F47-F90 HydrophobicContact CD2-CE1 4.18Å; F47-F90 AromaticContact CD2-CZ 3.64Å; F47-F90 HydrophobicContact CD2-CZ 3.64Å; F47-F90 AromaticContact CE2-CZ 3.78Å; F47-F90 HydrophobicContact CE2-CZ 3.78Å; L50-F90 HydrophobicContact CB-CD1 4.44Å; L50-F90 HydrophobicContact CB-CD2 3.79Å; L50-F90 HydrophobicContact CB-CE1 4.16Å; L50-F90 HydrophobicContact CB-CE2 3.47Å; L50-F90 VanDerWaalsContact CB-CE2 3.47Å; L50-F90 HydrophobicContact CB-CG 4.26Å; L50-F90 HydrophobicContact CB-CZ 3.67Å; L50-F90 HydrophobicContact CD1-CD1 3.8Å; L50-F90 HydrophobicContact CD1-CE1 3.79Å; L50-F90 HydrophobicContact CD1-CG 4.18Å; L50-F90 HydrophobicContact CD1-CZ 4.17Å; I54-F90 HydrophobicContact CD1-CD2 4.21Å; I54-F90 HydrophobicContact CD1-CE2 4.05Å; I54-F90 HydrophobicContact CG2-CD2 4.08Å; V70-F90 HydrophobicContact CB-CD1 4.21Å; V70-F90 HydrophobicContact CB-CE1 4.21Å; V70-F90 HydrophobicContact CG1-CD1 3.83Å; V70-F90 HydrophobicContact CG1-CE1 3.62Å; V70-F90 HydrophobicContact CG2-CD1 3.65Å; V70-F90 HydrophobicContact CG2-CE1 3.56Å; V70-F90 HydrophobicContact CG2-CZ 4.44Å; M88-F90 HydrophobicContact CG-CE1 4.43Å; M88-F90 HydrophobicContact SD-CE1 4.08Å; F90-I92 PolarHBondContact O-N 3.35Å
91Y98Very high96.2Very high5 Ų550.8 Ų50.82%0.0228%0.276CS..EExtended strand (participates in β ladder)trans-64.9131.4175.2169.3-121.4000109.3E4 A6 L27 W29 T67 Q97E4-Y91 HydrophobicContact CG-CE1 4.26Å; E4-Y91 WeakPolarHBondContact OE1-CE1 3.38Å; A6-Y91 HydrophobicContact CB-CD1 3.91Å; A6-Y91 HydrophobicContact CB-CD2 3.96Å; A6-Y91 HydrophobicContact CB-CE1 4.35Å; A6-Y91 HydrophobicContact CB-CE2 4.39Å; A6-Y91 HydrophobicContact CB-CG 3.72Å; L27-Y91 HydrophobicContact CB-CD2 4.49Å; L27-Y91 HydrophobicContact CB-CE2 4.25Å; L27-Y91 HydrophobicContact CD1-CD2 4.47Å; L27-Y91 HydrophobicContact CD1-CE2 4.15Å; L27-Y91 HydrophobicContact CD2-CE2 3.92Å; L27-Y91 HydrophobicContact CG-CE2 4.32Å; W29-Y91 VanDerWaalsContact CE3-CA 3.47Å; W29-Y91 HydrophobicContact CZ2-CD2 4.37Å; W29-Y91 VanDerWaalsContact CZ3-N 3.34Å; T67-Y91 HydrophobicContact CG2-CD1 3.89Å; T67-Y91 HydrophobicContact CG2-CE1 4.48Å; T67-Y91 WeakPolarHBondContact CG2-O 3.29Å; T67-Y91 WeakPolarHBondContact OG1-CB 3.42Å; T67-Y91 PolarHBondContact OG1-O 2.7Å; Y91-Q97 HydrophobicContact CE2-CG 4.4Å
92I98.3Very high96.8Very high1 Ų147.3 Ų47.31%0.00526%0.255CS..PPolyproline II helixtrans-81.9125.3175.8-60.4-177.2000107.3R28 V30 F90 F96 Q97 P100 I110R28-I92 HydrophobicContact CB-CD1 4.24Å; R28-I92 WeakPolarHBondContact O-CB 3.32Å; R28-I92 PolarHBondContact O-N 2.79Å; V30-I92 HydrophobicContact CB-CD1 4.26Å; V30-I92 HydrophobicContact CB-CG1 4.38Å; V30-I92 HydrophobicContact CG1-CG1 4.49Å; F90-I92 PolarHBondContact O-N 3.35Å; I92-F96 HydrophobicContact CG2-CB 3.53Å; I92-Q97 PolarHBondContact O-NE2 3.22Å; I92-P100 HydrophobicContact CD1-CB 3.68Å; I92-P100 HydrophobicContact CD1-CG 3.86Å; I92-P100 HydrophobicContact CG2-CB 4.5Å; I92-P100 HydrophobicContact CG2-CG 4.46Å; I92-I110 HydrophobicContact CD1-CD1 3.77Å; I92-I110 HydrophobicContact CD1-CG2 4.26Å
93P97.7Very high97.5Very high2 Ų240.3 Ų40.31%0.01322%0.222CC..PPolyproline II helixtrans-64.6157.1-176.419.8-24.5000111.8E4 V64 P65 T67 A95 F96 Q97E4-P93 WeakPolarHBondContact OE1-CA 3.5Å; E4-P93 VanDerWaalsContact OE2-CB 3.22Å; E4-P93 WeakPolarHBondContact OE2-CB 3.36Å; V64-P93 VanDerWaalsContact CG1-CD 3.43Å; V64-P93 HydrophobicContact CG1-CG 3.73Å; P65-P93 HydrophobicContact CB-CG 4.16Å; P65-P93 HydrophobicContact CG-CG 4.21Å; T67-P93 HydrophobicContact CG2-CB 3.75Å; T67-P93 HydrophobicContact CG2-CG 4.02Å; P93-A95 PolarHBondContact O-N 3.09Å; P93-A95 VanDerWaalsContact O-N 3.1Å; P93-F96 HydrophobicContact CG-CD2 4.02Å; P93-F96 PolarHBondContact O-N 3.25Å; P93-Q97 PolarHBondContact O-N 2.66Å
94E98Very high97.8Very high124 Ų12438.3 Ų38.358%0.57922%0.221SC*.Hα-helixtrans-50.7-41.3-171.5-175.658.1-157.500112.8E4 F96 Q97E4-E94 PolarHBondContact OE1-N 3.4Å; E94-F96 PolarHBondContact O-N 3.32Å; E94-Q97 PolarHBondContact O-N 2.94Å
95A97.8Very high98Very high85 Ų8536.7 Ų36.770%0.70222%0.216SC*.Hα-helixtrans-57.1-21178.200000114.4P93P93-A95 PolarHBondContact O-N 3.09Å; P93-A95 VanDerWaalsContact O-N 3.1Å
96F98.2Very high98Very high47 Ų4745.1 Ų45.121%0.20626%0.255CS..Hα-helixtrans-117.91.3178.9-61.4-86000112.9V62 V64 I92 P93 E94 S98 N99 P100 P101V62-F96 HydrophobicContact CG2-CE1 4.03Å; V62-F96 HydrophobicContact CG2-CZ 4.5Å; V64-F96 HydrophobicContact CG1-CD2 4.33Å; I92-F96 HydrophobicContact CG2-CB 3.53Å; P93-F96 HydrophobicContact CG-CD2 4.02Å; P93-F96 PolarHBondContact O-N 3.25Å; E94-F96 PolarHBondContact O-N 3.32Å; F96-S98 VanDerWaalsContact C-N 3.28Å; F96-S98 PolarHBondContact O-N 2.89Å; F96-N99 CarbonylContact O-C 3.54Å; F96-N99 PolarHBondContact O-N 2.75Å; F96-P100 WeakPolarHBondContact O-CA 3.27Å; F96-P100 VanDerWaalsContact O-CD 3.28Å; F96-P100 WeakPolarHBondContact O-CD 3.46Å; F96-P100 WeakPolarHBondContact O-CG 3.41Å; F96-P101 HydrophobicContact CD1-CG 3.82Å; F96-P101 HydrophobicContact CE1-CG 4.07Å
97Q98.2Very high97.9Very high19 Ų1947 Ų479%0.08928%0.275CS..Hα-helixtrans-58-42.3-178.6-89.3-64.2-41.100111.5R28 Y91 I92 P93 E94R28-Q97 WeakPolarHBondContact CD-O 2.95Å; R28-Q97 PolarHBondContact NH1-O 2.87Å; R28-Q97 PolarHBondContact O-NE2 2.59Å; Y91-Q97 HydrophobicContact CE2-CG 4.4Å; I92-Q97 PolarHBondContact O-NE2 3.22Å; P93-Q97 PolarHBondContact O-N 2.66Å; E94-Q97 PolarHBondContact O-N 2.94Å
98S98Very high97.9Very high101 Ų10147.5 Ų47.571%0.70628%0.278SS*.SBendtrans-69.6-36.4-178.759.70000113.4R28 F96R28-S98 PolarHBondContact NH1-O 2.83Å; F96-S98 VanDerWaalsContact C-N 3.28Å; F96-S98 PolarHBondContact O-N 2.89Å
99N97.9Very high98Very high117 Ų11750.3 Ų50.363%0.62629%0.29SS*.SBendtrans-142.879.7-178.8-172.726.7000111.4F96F96-N99 CarbonylContact O-C 3.54Å; F96-N99 PolarHBondContact O-N 2.75Å
100P98.4Very high98Very high16 Ų1652.9 Ų52.910%0.10430%0.304CS..PPolyproline II helixtrans-59.7140.1177.1-28.738.4000112.4R28 I92 F96 T102 I110R28-P100 HydrophobicContact CB-CG 4.29Å; I92-P100 HydrophobicContact CD1-CB 3.68Å; I92-P100 HydrophobicContact CD1-CG 3.86Å; I92-P100 HydrophobicContact CG2-CB 4.5Å; I92-P100 HydrophobicContact CG2-CG 4.46Å; F96-P100 WeakPolarHBondContact O-CA 3.27Å; F96-P100 VanDerWaalsContact O-CD 3.28Å; F96-P100 WeakPolarHBondContact O-CD 3.46Å; F96-P100 WeakPolarHBondContact O-CG 3.41Å; P100-T102 PolarHBondContact O-N 3.14Å; P100-I110 HydrophobicContact CB-CD1 3.91Å; P100-I110 HydrophobicContact CB-CG1 4.15Å; P100-I110 HydrophobicContact CB-CG2 4.27Å; P100-I110 HydrophobicContact CG-CG2 4.09Å
101P98.5Very high98Very high3 Ų354.5 Ų54.52%0.01931%0.311CS..PPolyproline II helixtrans-54.1140.8169.2-26.335.1000111.4Y53 N58 Q60 V62 V64 F96 P103Y53-P101 HydrophobicContact CE2-CB 4.3Å; Y53-P101 VanDerWaalsContact CE2-O 3.28Å; Y53-P101 WeakPolarHBondContact CE2-O 3.12Å; Y53-P101 WeakPolarHBondContact OH-CD 3.12Å; Y53-P101 PolarHBondContact OH-O 3.03Å; N58-P101 HydrophobicContact CB-CB 3.76Å; Q60-P101 VanDerWaalsContact OE1-CA 3.25Å; V62-P101 HydrophobicContact CG2-CB 4.02Å; V62-P101 HydrophobicContact CG2-CG 3.48Å; V62-P101 VanDerWaalsContact CG2-CG 3.48Å; V64-P101 HydrophobicContact CG2-CG 3.87Å; F96-P101 HydrophobicContact CD1-CG 3.82Å; F96-P101 HydrophobicContact CE1-CG 4.07Å; P101-P103 WeakPolarHBondContact O-CD 3.34Å
102T98.6Very high98Very high77 Ų7757.8 Ų57.847%0.47233%0.332SS..PPolyproline II helixtrans-77.8123.5-175.2-51.10000109.3N58 A59 P100N58-T102 CarbonylContact C-O 3.54Å; N58-T102 VanDerWaalsContact CA-O 3.29Å; N58-T102 WeakPolarHBondContact CA-O 3.48Å; N58-T102 WeakPolarHBondContact CB-O 3.41Å; A59-T102 PolarHBondContact N-O 3.18Å; P100-T102 PolarHBondContact O-N 3.14Å
103P98.5Very high98Very high27 Ų2758.3 Ų58.318%0.17533%0.334CS..BIsolated β-bridgetrans-59.9139.1173.6-22.734.1000111.6V30 Y53 P101 V108 I110V30-P103 HydrophobicContact CG2-CG 4.47Å; Y53-P103 HydrophobicContact CD2-CB 4.15Å; Y53-P103 HydrophobicContact CD2-CG 4.12Å; Y53-P103 HydrophobicContact CE2-CB 4.3Å; Y53-P103 HydrophobicContact CE2-CG 3.84Å; P101-P103 WeakPolarHBondContact O-CD 3.34Å; P103-V108 HydrophobicContact CB-CB 4Å; P103-V108 HydrophobicContact CB-CG1 3.81Å; P103-V108 WeakPolarHBondContact CB-O 3.42Å; P103-V108 HydrophobicContact CG-CG1 4.11Å; P103-I110 HydrophobicContact CG-CD1 3.81Å; P103-I110 HydrophobicContact CG-CG1 4.02Å
104T98.3Very high98Very high83 Ų8362.6 Ų62.651%0.50936%0.362SS..  trans-111.9-917751.70000113.1K57 A59K57-T104 PolarHBondContact O-OG1 2.71Å; A59-T104 HydrophobicContact CB-CG2 4.04Å
105E97.5Very high98Very high32 Ų3260.1 Ų60.115%0.1536%0.362CS..SBendtrans-94.8135.9178.6-172.7168.4155.900110.7K49 R52 K57 V108K49-E105 WeakPolarHBondContact CG-OE1 3.34Å; R52-E105 IonicContact CZ-OE1 2.66Å; R52-E105 IonicContact CZ-OE2 3.46Å; R52-E105 IonicContact NE-OE1 2.86Å; R52-E105 IonicContact NE-OE2 3.52Å; R52-E105 PolarHBondContact NE-OE2 3.1Å; R52-E105 IonicContact NH2-OE1 3.58Å; R52-E105 PolarHBondContact NH2-OE1 2.85Å; R52-E105 IonicContact NH2-OE2 2.82Å; R52-E105 PolarHBondContact NH2-OE2 2.71Å; K57-E105 HydrophobicContact CD-CB 4.46Å; K57-E105 WeakPolarHBondContact CD-OE2 3.3Å; K57-E105 WeakPolarHBondContact CE-OE2 3.39Å; K57-E105 IonicContact NZ-OE2 3.56Å; K57-E105 PolarHBondContact NZ-OE2 2.9Å; E105-V108 HydrophobicContact CB-CG2 4.15Å; E105-V108 HydrophobicContact CG-CG2 4.44Å; E105-V108 PolarHBondContact O-N 2.99Å
106E96.3Very high98Very high183 Ų18357.4 Ų57.486%0.85534%0.336SS*.THydrogen-bonded Turntrans-58.4140177.7-170.8-178.9175.400112.1V108E106-V108 PolarHBondContact O-N 2.78Å
107G95.8Very high98Very high43 Ų4360 Ų6044%0.44335%0.347SS..THydrogen-bonded Turntrans76.4-0.3-178.500000114.7A32A32-G107 WeakPolarHBondContact CA-O 3.47Å
108V98.5Very high98.1Very high14 Ų1459.1 Ų59.19%0.08534%0.343CS..EExtended strand (participates in β ladder)trans-100.9129.1169.5-173.20000109.5V30 C31 K49 L50 P103 E105 E106V30-V108 HydrophobicContact CG2-CG1 3.49Å; V30-V108 VanDerWaalsContact CG2-CG1 3.49Å; C31-V108 CarbonylContact O-C 3.59Å; C31-V108 WeakPolarHBondContact O-CA 3.26Å; K49-V108 HydrophobicContact CB-CG2 3.65Å; L50-V108 HydrophobicContact CD2-CG1 3.98Å; P103-V108 HydrophobicContact CB-CB 4Å; P103-V108 HydrophobicContact CB-CG1 3.81Å; P103-V108 WeakPolarHBondContact CB-O 3.42Å; P103-V108 HydrophobicContact CG-CG1 4.11Å; E105-V108 HydrophobicContact CB-CG2 4.15Å; E105-V108 HydrophobicContact CG-CG2 4.44Å; E105-V108 PolarHBondContact O-N 2.99Å; E106-V108 PolarHBondContact O-N 2.78Å
109F98.7Very high98.1Very high63 Ų6355 Ų5528%0.27631%0.312SS..EExtended strand (participates in β ladder)trans-144.5162.3-176.458.4-85.3000111.6C31 M33 T87 E111C31-F109 HydrophobicContact CB-CD2 4.17Å; C31-F109 HydrophobicContact CB-CE1 4.22Å; C31-F109 HydrophobicContact CB-CE2 3.67Å; C31-F109 HydrophobicContact CB-CZ 3.7Å; C31-F109 PolarHBondContact N-O 3.41Å; C31-F109 PolarHBondContact O-N 3.18Å; M33-F109 HydrophobicContact CE-CE1 3.72Å; M33-F109 HydrophobicContact CE-CZ 3.98Å; M33-F109 HydrophobicContact CG-CE1 3.81Å; M33-F109 HydrophobicContact CG-CZ 3.82Å; M33-F109 HydrophobicContact SD-CE1 4.34Å; M33-F109 HydrophobicContact SD-CZ 4.15Å; T87-F109 HydrophobicContact CG2-CZ 4.12Å; F109-E111 HydrophobicContact CD2-CB 4.39Å; F109-E111 HydrophobicContact CE2-CB 4.12Å
110I98.7Very high98.1Very high55 Ų5549.5 Ų49.528%0.28228%0.283SS..EExtended strand (participates in β ladder)trans-92122.5172.8-53.9-58.4000108.6R28 W29 V30 I92 P100 P103R28-I110 HydrophobicContact CB-CG2 4.3Å; W29-I110 CarbonylContact O-C 3.52Å; W29-I110 WeakPolarHBondContact O-CA 3.45Å; V30-I110 HydrophobicContact CB-CD1 4.08Å; V30-I110 HydrophobicContact CG2-CD1 4.16Å; I92-I110 HydrophobicContact CD1-CD1 3.77Å; I92-I110 HydrophobicContact CD1-CG2 4.26Å; P100-I110 HydrophobicContact CB-CD1 3.91Å; P100-I110 HydrophobicContact CB-CG1 4.15Å; P100-I110 HydrophobicContact CB-CG2 4.27Å; P100-I110 HydrophobicContact CG-CG2 4.09Å; P103-I110 HydrophobicContact CG-CD1 3.81Å; P103-I110 HydrophobicContact CG-CG1 4.02Å
111E98.6Very high98.1Very high47 Ų4750.2 Ų50.222%0.2228%0.283CS..EExtended strand (participates in β ladder)trans-103.9125.4174.5-174.4-176.3-160.700109.1R28 W29 C31 F109 R113R28-E111 CarbonylContact C-O 3.49Å; R28-E111 WeakPolarHBondContact CA-O 3.2Å; W29-E111 PolarHBondContact N-O 2.81Å; W29-E111 PolarHBondContact O-N 3.14Å; C31-E111 HydrophobicContact CB-CB 4.28Å; C31-E111 PolarHBondContact SG-OE2 3.17Å; F109-E111 HydrophobicContact CD2-CB 4.39Å; F109-E111 HydrophobicContact CE2-CB 4.12Å; E111-R113 HydrophobicContact CG-CG 3.96Å; E111-R113 IonicContact OE1-NE 2.66Å; E111-R113 IonicContact OE2-CZ 3.22Å; E111-R113 IonicContact OE2-NE 3.18Å; E111-R113 PolarHBondContact OE2-NE 2.83Å; E111-R113 IonicContact OE2-NH2 3.46Å; E111-R113 PolarHBondContact OE2-NH2 2.81Å
112T98.5Very high98Very high74 Ų7453 Ų5345%0.45430%0.3SS..EExtended strand (participates in β ladder)trans-92.9106164.9-58.70000107.7S26 R28S26-T112 WeakPolarHBondContact OG-CG2 3.37Å; R28-T112 HydrophobicContact CG-CG2 4.41Å; R28-T112 PolarHBondContact NE-OG1 2.91Å
113R97.7Very high97.8Very high12 Ų1250.6 Ų50.65%0.04528%0.283CS..EExtended strand (participates in β ladder)trans-82123.6173.8-65.6-176.3-174.2163.5-0108S26 L27 T71 E111S26-R113 VanDerWaalsContact CA-O 3.3Å; S26-R113 WeakPolarHBondContact CA-O 3.45Å; S26-R113 PolarHBondContact OG-O 2.61Å; L27-R113 PolarHBondContact N-O 2.92Å; L27-R113 VanDerWaalsContact N-O 3.09Å; L27-R113 PolarHBondContact O-N 2.87Å; T71-R113 PolarHBondContact OG1-NH1 3.01Å; T71-R113 PolarHBondContact OG1-NH2 3.49Å; T71-R113 VanDerWaalsContact OG1-NH2 3.14Å; E111-R113 HydrophobicContact CG-CG 3.96Å; E111-R113 IonicContact OE1-NE 2.66Å; E111-R113 IonicContact OE2-CZ 3.22Å; E111-R113 IonicContact OE2-NE 3.18Å; E111-R113 PolarHBondContact OE2-NE 2.83Å; E111-R113 IonicContact OE2-NH2 3.46Å; E111-R113 PolarHBondContact OE2-NH2 2.81Å
114P97.8Very high97.6Very high93 Ų9353.9 Ų53.960%0.60431%0.306SS*.PPolyproline II helixtrans-64164.7177.929-35.2000110.4M116P114-M116 PolarHBondContact O-N 3.34Å
115A98.2Very high97.2Very high71 Ų7151.3 Ų51.359%0.58730%0.297SS*.PPolyproline II helixtrans-53.6134.417300000110.3Y24Y24-A115 CarbonylContact O-C 3.53Å; Y24-A115 WeakPolarHBondContact O-CA 3.3Å
116M97.7Very high96.8Very high29 Ų2955.1 Ų55.114%0.14331%0.313CS..EExtended strand (participates in β ladder)trans-146.6142.8-174.158.3-173-86.400111.4Y24 P114 V118 Y156 K176Y24-M116 PolarHBondContact N-O 2.84Å; Y24-M116 PolarHBondContact O-N 2.94Å; P114-M116 PolarHBondContact O-N 3.34Å; M116-V118 HydrophobicContact CE-CG1 3.17Å; M116-Y156 HydrophobicContact CE-CE2 4.08Å; M116-K176 HydrophobicContact CE-CG 4.1Å
117K98.5Very high96.6Very high101 Ų10147.9 Ų47.944%0.43928%0.282SS..EExtended strand (participates in β ladder)trans-97.3135.3167.8-53.5-160.3-177.1-159.60109L21 R22 E23 A177L21-K117 HydrophobicContact CD1-CB 4.12Å; R22-K117 CarbonylContact O-C 3.54Å; R22-K117 WeakPolarHBondContact O-CA 3.34Å; E23-K117 VanDerWaalsContact CD-NZ 3.34Å; E23-K117 HydrophobicContact CG-CD 3.97Å; E23-K117 HydrophobicContact CG-CG 3.9Å; E23-K117 VanDerWaalsContact OE1-CE 3.25Å; E23-K117 WeakPolarHBondContact OE1-CE 3.44Å; E23-K117 IonicContact OE1-NZ 2.74Å; E23-K117 PolarHBondContact OE1-NZ 3.05Å; E23-K117 WeakPolarHBondContact OE2-CE 3.26Å; E23-K117 IonicContact OE2-NZ 3.5Å; E23-K117 PolarHBondContact OE2-NZ 3.22Å; K117-A177 HydrophobicContact CB-CB 3.99Å; K117-A177 PolarHBondContact O-N 3.23Å
118V98.7Very high96.5Very high0 Ų048.6 Ų48.60%028%0.276CS..EExtended strand (participates in β ladder)trans-132.4143178.6-68.30000111.5L21 R22 Y24 M116 C120 W174 F175L21-V118 WeakPolarHBondContact CA-O 3.24Å; R22-V118 HydrophobicContact CB-CG2 4.1Å; R22-V118 PolarHBondContact N-O 2.94Å; R22-V118 PolarHBondContact O-N 3.03Å; Y24-V118 HydrophobicContact CD2-CG2 3.91Å; Y24-V118 HydrophobicContact CE2-CG2 3.62Å; M116-V118 HydrophobicContact CE-CG1 3.17Å; V118-C120 VanDerWaalsContact CG2-SG 3.53Å; V118-W174 HydrophobicContact CB-CB 4.13Å; V118-W174 HydrophobicContact CG1-CB 4.21Å; V118-W174 HydrophobicContact CG2-CD2 4.47Å; V118-W174 HydrophobicContact CG2-CG 4.44Å; V118-F175 CarbonylContact C-O 3.21Å; V118-F175 WeakPolarHBondContact CA-O 3.4Å; V118-F175 WeakPolarHBondContact CB-O 3.46Å
119Y98.8Very high96.4Very high16 Ų1649.4 Ų49.46%0.06328%0.28CS..EExtended strand (participates in β ladder)trans-84.9130.5159.6-63-66.5000109.1W14 V19 E20 L21 L143 L148 K149 W174 F175 A177W14-Y119 AromaticContact CH2-CE1 3.94Å; W14-Y119 HydrophobicContact CH2-CE1 3.94Å; W14-Y119 HydrophobicContact CZ3-CD1 4.25Å; W14-Y119 AromaticContact CZ3-CE1 3.95Å; W14-Y119 HydrophobicContact CZ3-CE1 3.95Å; V19-Y119 HydrophobicContact CG1-CD1 3.89Å; V19-Y119 HydrophobicContact CG1-CG 4.41Å; E20-Y119 CarbonylContact O-C 3.54Å; E20-Y119 VanDerWaalsContact O-CA 3.31Å; E20-Y119 WeakPolarHBondContact O-CA 3.36Å; L21-Y119 HydrophobicContact CB-CD1 4.18Å; L21-Y119 HydrophobicContact CB-CE1 4.06Å; L21-Y119 HydrophobicContact CD1-CD1 4.06Å; L21-Y119 HydrophobicContact CD1-CE1 3.81Å; L21-Y119 HydrophobicContact CG-CE1 4.37Å; Y119-L143 HydrophobicContact CD1-CD2 3.67Å; Y119-L143 HydrophobicContact CD2-CD1 3.66Å; Y119-L143 HydrophobicContact CD2-CD2 3.77Å; Y119-L143 HydrophobicContact CD2-CG 4.38Å; Y119-L143 HydrophobicContact CE1-CD2 4.13Å; Y119-L143 HydrophobicContact CE2-CD1 4.46Å; Y119-L143 HydrophobicContact CE2-CD2 4.2Å; Y119-L143 HydrophobicContact CG-CD1 3.9Å; Y119-L143 HydrophobicContact CG-CD2 3.47Å; Y119-L143 VanDerWaalsContact CG-CD2 3.47Å; Y119-L143 HydrophobicContact CG-CG 4.35Å; Y119-L148 HydrophobicContact CD1-CD1 4.46Å; Y119-L148 HydrophobicContact CE1-CD1 3.79Å; Y119-L148 HydrophobicContact CE2-CB 4.34Å; Y119-K149 WeakPolarHBondContact CE2-O 3.34Å; Y119-W174 VanDerWaalsContact O-CA 3.27Å; Y119-W174 WeakPolarHBondContact O-CA 3.47Å; Y119-F175 PolarHBondContact N-O 3.24Å; Y119-F175 PolarHBondContact O-N 2.72Å; Y119-F175 VanDerWaalsContact O-N 3.09Å; Y119-A177 HydrophobicContact CD2-CB 3.81Å; Y119-A177 HydrophobicContact CE2-CB 3.39Å
120C98.2Very high96.3Very high1 Ų151.6 Ų51.61%0.00730%0.295CS..EExtended strand (participates in β ladder)trans-115.7133.3-177.6-610000111E20 R22 V118 I173E20-C120 PolarHBondContact N-O 3.34Å; E20-C120 PolarHBondContact O-N 3.5Å; R22-C120 VanDerWaalsContact CD-SG 3.57Å; V118-C120 VanDerWaalsContact CG2-SG 3.53Å; C120-I173 WeakPolarHBondContact CA-O 3.17Å
121W97.4Very high96.2Very high30 Ų3053.3 Ų53.311%0.11430%0.3CS..EExtended strand (participates in β ladder)trans-115.2123.4170174.7-86.4000110E17 K18 V19 N135 K138 L139 S142 E172 I173E17-W121 WeakPolarHBondContact O-CZ3 3.25Å; K18-W121 HydrophobicContact CB-CE3 4.26Å; K18-W121 HydrophobicContact CB-CH2 4.3Å; K18-W121 HydrophobicContact CB-CZ3 3.97Å; K18-W121 HydrophobicContact CD-CH2 4.41Å; V19-W121 HydrophobicContact CG2-CE3 4.48Å; W121-N135 PolarHBondContact NE1-OD1 2.8Å; W121-K138 HydrophobicContact CH2-CB 4.16Å; W121-K138 HydrophobicContact CZ2-CB 3.94Å; W121-K138 HydrophobicContact CZ2-CD 3.92Å; W121-L139 HydrophobicContact CB-CB 3.78Å; W121-L139 HydrophobicContact CB-CD1 3.98Å; W121-L139 HydrophobicContact CB-CD2 4.09Å; W121-L139 HydrophobicContact CB-CG 4.14Å; W121-L139 HydrophobicContact CG-CB 4.31Å; W121-S142 WeakPolarHBondContact CZ3-OG 3.39Å; W121-E172 CarbonylContact O-C 3.56Å; W121-E172 WeakPolarHBondContact O-CA 3.41Å; W121-I173 PolarHBondContact N-O 2.96Å; W121-I173 PolarHBondContact O-N 3.29Å
122T96.6Very high96.1Very high63 Ų6351.1 Ų51.139%0.38729%0.29SS..EExtended strand (participates in β ladder)trans-100.3136.5-177.7-57.10000112R170 N171 E172T122-R170 HydrophobicContact CG2-CG 4.11Å; T122-N171 WeakPolarHBondContact CA-O 3.25Å; T122-E172 HydrophobicContact CG2-CG 4.38Å
123Y95.8Very high96Very high26 Ų2651 Ų5110%0.10229%0.286CS..EExtended strand (participates in β ladder)trans-145.9156.2174.567.9-79.1000112.3S127 N135 F157 N171 I173Y123-S127 PolarHBondContact OH-OG 3.04Å; Y123-N135 WeakPolarHBondContact CB-OD1 3.28Å; Y123-N135 HydrophobicContact CD1-CB 3.89Å; Y123-N135 WeakPolarHBondContact CD2-ND2 3.28Å; Y123-N135 HydrophobicContact CE1-CB 3.92Å; Y123-N135 HydrophobicContact CG-CB 4.39Å; Y123-F157 WeakPolarHBondContact OH-CD2 3.27Å; Y123-F157 WeakPolarHBondContact OH-CE2 3.39Å; Y123-N171 HydrophobicContact CD1-CB 4.03Å; Y123-N171 HydrophobicContact CD2-CB 4.11Å; Y123-N171 HydrophobicContact CE1-CB 3.58Å; Y123-N171 HydrophobicContact CE2-CB 3.68Å; Y123-N171 HydrophobicContact CG-CB 4.29Å; Y123-N171 VanDerWaalsContact CZ-CB 3.41Å; Y123-N171 PolarHBondContact N-O 2.86Å; Y123-N171 PolarHBondContact O-N 3.4Å; Y123-N171 PolarHBondContact O-ND2 2.99Å; Y123-I173 HydrophobicContact CE1-CD1 4.27Å; Y123-I173 HydrophobicContact CE1-CG1 3.96Å
124S92.9Very high96Very high95 Ų9554.6 Ų54.666%0.66431%0.306SS*.EExtended strand (participates in β ladder)trans-103.3170.5-17365.20000114.4R169S124-R169 WeakPolarHBondContact CA-O 3.42Å
125G90.1Very high96Very high30 Ų3050.9 Ų50.931%0.30928%0.281SS..SBendtrans85.3-171.5174.900000114.1R169 N171G125-R169 PolarHBondContact N-O 3.29Å; G125-N171 PolarHBondContact O-ND2 3.22Å
126F88.6Confident96Very high111 Ų11147.9 Ų47.949%0.48726%0.257SS..  trans-70.9131.6173.5-68.2-78.1000110.3K131 L166F126-K131 WeakPolarHBondContact O-CD 3.33Å; F126-K131 PolarHBondContact O-NZ 3.01Å; F126-L166 HydrophobicContact CZ-CD2 4.16Å
127S93Very high96Very high31 Ų3152.4 Ų52.422%0.21727%0.272CS..  trans-93.1160.2172.9-166.30000111Y123 F157Y123-S127 PolarHBondContact OH-OG 3.04Å; S127-F157 WeakPolarHBondContact OG-CE2 3.47Å
128N94Very high96Very high58 Ų5851.6 Ų51.631%0.3127%0.268SS..  trans-153.8178.3167.360.828.6000108.7D40 N130 K131 A132D40-N128 WeakPolarHBondContact OD1-CA 3.49Å; N128-N130 VanDerWaalsContact C-N 3.33Å; N128-N130 PolarHBondContact O-N 2.78Å; N128-N130 PolarHBondContact OD1-N 2.83Å; N128-K131 PolarHBondContact O-N 2.84Å; N128-K131 WeakPolarHBondContact OD1-CB 3.39Å; N128-K131 WeakPolarHBondContact OD1-CG 3.31Å; N128-K131 PolarHBondContact OD1-N 2.83Å; N128-A132 WeakPolarHBondContact O-CB 3.14Å; N128-A132 PolarHBondContact O-N 2.87Å
129N95Very high96Very high32 Ų3251.6 Ų51.617%0.17127%0.268CS..Hα-helixtrans-50-50.3179.4-172.384.3000113M39 D40 K131 A132 L133M39-N129 HydrophobicContact CB-CB 4.28Å; M39-N129 PolarHBondContact N-OD1 3.3Å; D40-N129 PolarHBondContact OD1-N 2.74Å; D40-N129 WeakPolarHBondContact OD2-CB 3.19Å; D40-N129 PolarHBondContact OD2-N 3.47Å; N129-K131 PolarHBondContact O-N 3.48Å; N129-A132 PolarHBondContact O-N 2.98Å; N129-L133 WeakPolarHBondContact ND2-CD1 3.24Å; N129-L133 WeakPolarHBondContact O-CG 3.35Å; N129-L133 PolarHBondContact O-N 2.94Å
130N96.6Very high96Very high109 Ų10951 Ų5158%0.58327%0.268SS*.Hα-helixtrans-67.7-39.1-176.8-67.1-5.9000112.4N128 N134N128-N130 VanDerWaalsContact C-N 3.33Å; N128-N130 PolarHBondContact O-N 2.78Å; N128-N130 PolarHBondContact OD1-N 2.83Å; N130-N134 WeakPolarHBondContact O-CB 3.36Å; N130-N134 VanDerWaalsContact O-CG 3.26Å; N130-N134 PolarHBondContact O-N 2.93Å; N130-N134 PolarHBondContact O-ND2 2.9Å
131K96.9Very high96Very high91 Ų9155.5 Ų55.540%0.39629%0.289SS..Hα-helixtrans-66.4-40175.5-77.9178.1172176.20111.7F126 N128 N129 N134 N135F126-K131 WeakPolarHBondContact O-CD 3.33Å; F126-K131 PolarHBondContact O-NZ 3.01Å; N128-K131 PolarHBondContact O-N 2.84Å; N128-K131 WeakPolarHBondContact OD1-CB 3.39Å; N128-K131 WeakPolarHBondContact OD1-CG 3.31Å; N128-K131 PolarHBondContact OD1-N 2.83Å; N129-K131 PolarHBondContact O-N 3.48Å; K131-N134 PolarHBondContact O-N 3.13Å; K131-N135 PolarHBondContact O-N 2.94Å; K131-N135 PolarHBondContact O-ND2 3.22Å
132A97.2Very high96Very high1 Ų154.8 Ų54.81%0.00829%0.288CS..Hα-helixtrans-62.5-48.5176.200000110.8M39 N128 N129 N134 N135 A136 F157 I173M39-A132 HydrophobicContact CE-CB 3.56Å; M39-A132 HydrophobicContact SD-CB 4.14Å; N128-A132 WeakPolarHBondContact O-CB 3.14Å; N128-A132 PolarHBondContact O-N 2.87Å; N129-A132 PolarHBondContact O-N 2.98Å; A132-N134 PolarHBondContact O-N 2.83Å; A132-N135 PolarHBondContact O-N 2.88Å; A132-A136 WeakPolarHBondContact O-CB 3.12Å; A132-A136 PolarHBondContact O-N 2.82Å; A132-F157 HydrophobicContact CB-CD2 4.45Å; A132-I173 HydrophobicContact CB-CD1 3.96Å
133L96.5Very high96.1Very high72 Ų7251.8 Ų51.838%0.37727%0.27SS..Hα-helixtrans-59.6-43.3175.7-69.2173.3000112.6N129 N135 A136 R137 F155N129-L133 WeakPolarHBondContact ND2-CD1 3.24Å; N129-L133 WeakPolarHBondContact O-CG 3.35Å; N129-L133 PolarHBondContact O-N 2.94Å; L133-N135 VanDerWaalsContact C-N 3.32Å; L133-N135 PolarHBondContact O-N 2.95Å; L133-A136 WeakPolarHBondContact O-CB 3.29Å; L133-A136 PolarHBondContact O-N 3.17Å; L133-R137 PolarHBondContact O-N 3.17Å; L133-F155 HydrophobicContact CD2-CE1 3.9Å; L133-F155 HydrophobicContact CD2-CZ 3.84Å
134N97.9Very high96.2Very high86 Ų8655.4 Ų55.446%0.4629%0.291SS..Hα-helixtrans-63-36.8176.9-79.5-24.4000112.9N130 K131 A132 K138N130-N134 WeakPolarHBondContact O-CB 3.36Å; N130-N134 VanDerWaalsContact O-CG 3.26Å; N130-N134 PolarHBondContact O-N 2.93Å; N130-N134 PolarHBondContact O-ND2 2.9Å; K131-N134 PolarHBondContact O-N 3.13Å; A132-N134 PolarHBondContact O-N 2.83Å; N134-K138 WeakPolarHBondContact O-CG 3.14Å; N134-K138 PolarHBondContact O-N 3.25Å
135N98.1Very high96.5Very high15 Ų1558.1 Ų58.18%0.0829%0.293CS..Hα-helixtrans-77-30.8175.8-76-77.6000112.1W121 Y123 K131 A132 L133 R137 K138 L139 I173W121-N135 PolarHBondContact NE1-OD1 2.8Å; Y123-N135 WeakPolarHBondContact CB-OD1 3.28Å; Y123-N135 HydrophobicContact CD1-CB 3.89Å; Y123-N135 WeakPolarHBondContact CD2-ND2 3.28Å; Y123-N135 HydrophobicContact CE1-CB 3.92Å; Y123-N135 HydrophobicContact CG-CB 4.39Å; K131-N135 PolarHBondContact O-N 2.94Å; K131-N135 PolarHBondContact O-ND2 3.22Å; A132-N135 PolarHBondContact O-N 2.88Å; L133-N135 VanDerWaalsContact C-N 3.32Å; L133-N135 PolarHBondContact O-N 2.95Å; N135-R137 VanDerWaalsContact C-N 3.35Å; N135-K138 PolarHBondContact O-N 3Å; N135-L139 PolarHBondContact O-N 2.91Å; N135-I173 HydrophobicContact CB-CG1 3.73Å
136A98.2Very high96.8Very high9 Ų958.9 Ų58.97%0.07429%0.29CS..Hα-helixtrans-61.3-44.217100000111.3A132 L133 K138 L139 G140 F155 I173 F175A132-A136 WeakPolarHBondContact O-CB 3.12Å; A132-A136 PolarHBondContact O-N 2.82Å; L133-A136 WeakPolarHBondContact O-CB 3.29Å; L133-A136 PolarHBondContact O-N 3.17Å; A136-K138 PolarHBondContact O-N 2.88Å; A136-L139 PolarHBondContact O-N 3.03Å; A136-G140 PolarHBondContact O-N 2.8Å; A136-F155 HydrophobicContact CB-CD2 4.48Å; A136-I173 HydrophobicContact CB-CG2 3.86Å; A136-F175 HydrophobicContact CB-CE1 4.24Å; A136-F175 HydrophobicContact CB-CZ 3.96Å; A136-F175 WeakPolarHBondContact O-CE2 3.32Å; A136-F175 VanDerWaalsContact O-CZ 3.29Å; A136-F175 WeakPolarHBondContact O-CZ 3.32Å
137R98Very high97.3Very high123 Ų12356.7 Ų56.746%0.46430%0.298SS..Hα-helixtrans-58.4-46.6173-174.9-174.959.372.86.5112.1L133 N135 L139 G140 E141L133-R137 PolarHBondContact O-N 3.17Å; N135-R137 VanDerWaalsContact C-N 3.35Å; R137-L139 PolarHBondContact O-N 3.1Å; R137-G140 PolarHBondContact O-N 2.92Å; R137-E141 IonicContact CZ-OE1 2.68Å; R137-E141 IonicContact CZ-OE2 3.37Å; R137-E141 IonicContact NH1-OE1 3.9Å; R137-E141 PolarHBondContact NH1-OE1 3.11Å; R137-E141 IonicContact NH1-OE2 2.88Å; R137-E141 PolarHBondContact NH1-OE2 2.82Å; R137-E141 WeakPolarHBondContact O-CG 3.39Å; R137-E141 PolarHBondContact O-N 2.86Å
138K98.2Very high97.5Very high84 Ų8457 Ų5737%0.36530%0.298SS..Hα-helixtrans-62.3-40.1178.6-72176-178.6-175.60113W121 N134 N135 A136 S142W121-K138 HydrophobicContact CH2-CB 4.16Å; W121-K138 HydrophobicContact CZ2-CB 3.94Å; W121-K138 HydrophobicContact CZ2-CD 3.92Å; N134-K138 WeakPolarHBondContact O-CG 3.14Å; N134-K138 PolarHBondContact O-N 3.25Å; N135-K138 PolarHBondContact O-N 3Å; A136-K138 PolarHBondContact O-N 2.88Å; K138-S142 WeakPolarHBondContact O-CB 3.4Å; K138-S142 PolarHBondContact O-N 3.46Å; K138-S142 PolarHBondContact O-OG 3.17Å
139L98.6Very high97.7Very high0 Ų061.6 Ų61.60%032%0.315CS..Hα-helixtrans-61.2-47.7173.5176.255.3000110.2V19 W121 N135 A136 R137 E141 S142 L143 I173 F175V19-L139 HydrophobicContact CG1-CD1 4.31Å; V19-L139 HydrophobicContact CG2-CD1 3.75Å; W121-L139 HydrophobicContact CB-CB 3.78Å; W121-L139 HydrophobicContact CB-CD1 3.98Å; W121-L139 HydrophobicContact CB-CD2 4.09Å; W121-L139 HydrophobicContact CB-CG 4.14Å; W121-L139 HydrophobicContact CG-CB 4.31Å; N135-L139 PolarHBondContact O-N 2.91Å; A136-L139 PolarHBondContact O-N 3.03Å; R137-L139 PolarHBondContact O-N 3.1Å; L139-E141 PolarHBondContact O-N 3.47Å; L139-S142 WeakPolarHBondContact O-CB 3.36Å; L139-S142 PolarHBondContact O-N 2.85Å; L139-L143 HydrophobicContact CD1-CD1 3.89Å; L139-L143 HydrophobicContact CD1-CD2 4.27Å; L139-L143 HydrophobicContact CD1-CG 3.87Å; L139-L143 HydrophobicContact CG-CD1 3.97Å; L139-L143 HydrophobicContact CG-CG 4.36Å; L139-L143 VanDerWaalsContact O-CG 3.3Å; L139-L143 WeakPolarHBondContact O-CG 3.28Å; L139-L143 PolarHBondContact O-N 3.1Å; L139-I173 HydrophobicContact CD2-CG2 4.19Å; L139-F175 HydrophobicContact CB-CD2 4.36Å; L139-F175 HydrophobicContact CB-CE2 4.07Å; L139-F175 HydrophobicContact CD2-CB 4.33Å; L139-F175 HydrophobicContact CD2-CD2 3.57Å; L139-F175 HydrophobicContact CD2-CE2 4.03Å; L139-F175 HydrophobicContact CD2-CG 3.93Å; L139-F175 HydrophobicContact CG-CD2 3.67Å; L139-F175 HydrophobicContact CG-CE2 3.89Å
140G98.4Very high97.9Very high5 Ų561.8 Ų61.85%0.05231%0.314CS..Hα-helixtrans-57-50.2178.300000112.4A136 R137 S142 L143 D144 Y150A136-G140 PolarHBondContact O-N 2.8Å; R137-G140 PolarHBondContact O-N 2.92Å; G140-S142 VanDerWaalsContact C-N 3.27Å; G140-S142 PolarHBondContact O-N 2.86Å; G140-L143 PolarHBondContact O-N 2.93Å; G140-L143 VanDerWaalsContact O-N 3.1Å; G140-D144 WeakPolarHBondContact O-CB 3.39Å; G140-D144 PolarHBondContact O-N 3.09Å; G140-Y150 VanDerWaalsContact CA-OH 3.24Å; G140-Y150 WeakPolarHBondContact CA-OH 3.36Å; G140-Y150 PolarHBondContact O-OH 3.47Å
141E98Very high98Very high95 Ų9558.9 Ų58.944%0.44430%0.3SS..Hα-helixtrans-56.7-40.9176.6-72.6169.8173.600112.7R137 L139 Q145R137-E141 IonicContact CZ-OE1 2.68Å; R137-E141 IonicContact CZ-OE2 3.37Å; R137-E141 IonicContact NH1-OE1 3.9Å; R137-E141 PolarHBondContact NH1-OE1 3.11Å; R137-E141 IonicContact NH1-OE2 2.88Å; R137-E141 PolarHBondContact NH1-OE2 2.82Å; R137-E141 WeakPolarHBondContact O-CG 3.39Å; R137-E141 PolarHBondContact O-N 2.86Å; L139-E141 PolarHBondContact O-N 3.47Å; E141-Q145 WeakPolarHBondContact O-CB 3.33Å; E141-Q145 PolarHBondContact O-N 3.29Å
142S98.3Very high97.9Very high15 Ų1558.1 Ų58.111%0.10530%0.304CS..Hα-helixtrans-67.7-40.1178.2-56.80000111.7W121 K138 L139 G140 L146W121-S142 WeakPolarHBondContact CZ3-OG 3.39Å; K138-S142 WeakPolarHBondContact O-CB 3.4Å; K138-S142 PolarHBondContact O-N 3.46Å; K138-S142 PolarHBondContact O-OG 3.17Å; L139-S142 WeakPolarHBondContact O-CB 3.36Å; L139-S142 PolarHBondContact O-N 2.85Å; G140-S142 VanDerWaalsContact C-N 3.27Å; G140-S142 PolarHBondContact O-N 2.86Å; S142-L146 WeakPolarHBondContact O-CB 3.3Å; S142-L146 WeakPolarHBondContact O-CD1 3.27Å; S142-L146 VanDerWaalsContact O-CG 3.23Å; S142-L146 WeakPolarHBondContact O-CG 3.46Å; S142-L146 PolarHBondContact O-N 3.05Å; S142-L146 VanDerWaalsContact O-N 3.15Å
143L98.6Very high97.8Very high0 Ų061 Ų610%032%0.319CS..Hα-helixtrans-69.9-39.6177.4-65.9176.5000112V19 Y119 L139 G140 L146 G147 L148 Y150 F175V19-L143 HydrophobicContact CG1-CD2 3.88Å; V19-L143 HydrophobicContact CG2-CD2 4.44Å; Y119-L143 HydrophobicContact CD1-CD2 3.67Å; Y119-L143 HydrophobicContact CD2-CD1 3.66Å; Y119-L143 HydrophobicContact CD2-CD2 3.77Å; Y119-L143 HydrophobicContact CD2-CG 4.38Å; Y119-L143 HydrophobicContact CE1-CD2 4.13Å; Y119-L143 HydrophobicContact CE2-CD1 4.46Å; Y119-L143 HydrophobicContact CE2-CD2 4.2Å; Y119-L143 HydrophobicContact CG-CD1 3.9Å; Y119-L143 HydrophobicContact CG-CD2 3.47Å; Y119-L143 VanDerWaalsContact CG-CD2 3.47Å; Y119-L143 HydrophobicContact CG-CG 4.35Å; L139-L143 HydrophobicContact CD1-CD1 3.89Å; L139-L143 HydrophobicContact CD1-CD2 4.27Å; L139-L143 HydrophobicContact CD1-CG 3.87Å; L139-L143 HydrophobicContact CG-CD1 3.97Å; L139-L143 HydrophobicContact CG-CG 4.36Å; L139-L143 VanDerWaalsContact O-CG 3.3Å; L139-L143 WeakPolarHBondContact O-CG 3.28Å; L139-L143 PolarHBondContact O-N 3.1Å; G140-L143 PolarHBondContact O-N 2.93Å; G140-L143 VanDerWaalsContact O-N 3.1Å; L143-L146 CarbonylContact O-C 3.47Å; L143-L146 PolarHBondContact O-N 3.22Å; L143-G147 PolarHBondContact O-N 3.12Å; L143-L148 HydrophobicContact CB-CB 4.37Å; L143-L148 HydrophobicContact CD2-CB 4.15Å; L143-L148 HydrophobicContact CD2-CD1 3.68Å; L143-L148 PolarHBondContact O-N 3.1Å; L143-Y150 HydrophobicContact CB-CD1 3.63Å; L143-Y150 HydrophobicContact CB-CE1 3.45Å; L143-Y150 VanDerWaalsContact CB-CE1 3.45Å; L143-Y150 HydrophobicContact CB-CG 4.48Å; L143-Y150 HydrophobicContact CD1-CD1 3.51Å; L143-Y150 HydrophobicContact CD1-CD2 3.85Å; L143-Y150 HydrophobicContact CD1-CE1 3.92Å; L143-Y150 HydrophobicContact CD1-CE2 4.18Å; L143-Y150 HydrophobicContact CD1-CG 3.5Å; L143-Y150 VanDerWaalsContact CD1-CG 3.5Å; L143-Y150 HydrophobicContact CG-CD1 4.21Å; L143-Y150 HydrophobicContact CG-CE1 4.35Å; L143-F175 HydrophobicContact CD1-CD2 3.9Å
144D98.2Very high97.8Very high102 Ų10259 Ų5955%0.54531%0.31SS..Hα-helixtrans-63-44.3176-65.6-14.4000110.6G140 L146 G147 Y150G140-D144 WeakPolarHBondContact O-CB 3.39Å; G140-D144 PolarHBondContact O-N 3.09Å; D144-L146 PolarHBondContact O-N 3.16Å; D144-G147 PolarHBondContact O-N 3.28Å; D144-Y150 VanDerWaalsContact OD1-CE1 3.22Å; D144-Y150 WeakPolarHBondContact OD1-CE1 3.5Å; D144-Y150 PolarHBondContact OD1-OH 3.26Å; D144-Y150 PolarHBondContact OD2-OH 3.32Å
145Q97.6Very high97.8Very high151 Ų15155.4 Ų55.471%0.70629%0.291SS*.Hα-helixtrans-59.8-35.4174.4-178.6-179.2-18.900112.2E141 G147E141-Q145 WeakPolarHBondContact O-CB 3.33Å; E141-Q145 PolarHBondContact O-N 3.29Å; Q145-G147 VanDerWaalsContact C-N 3.31Å
146L97.9Very high97.8Very high46 Ų4654.9 Ų54.924%0.24129%0.288CS..THydrogen-bonded Turntrans-81.5-6.6177.2-69.6170000113.6W14 E17 S142 L143 D144 L148W14-L146 HydrophobicContact CB-CD1 4Å; W14-L146 VanDerWaalsContact CD1-CD2 3.46Å; W14-L146 HydrophobicContact CD2-CD1 4.01Å; W14-L146 HydrophobicContact CG-CD1 3.67Å; W14-L146 HydrophobicContact CG-CD2 4.23Å; E17-L146 HydrophobicContact CB-CD1 4.06Å; E17-L146 HydrophobicContact CG-CD1 3.96Å; E17-L146 HydrophobicContact CG-CD2 3.98Å; E17-L146 HydrophobicContact CG-CG 3.99Å; S142-L146 WeakPolarHBondContact O-CB 3.3Å; S142-L146 WeakPolarHBondContact O-CD1 3.27Å; S142-L146 VanDerWaalsContact O-CG 3.23Å; S142-L146 WeakPolarHBondContact O-CG 3.46Å; S142-L146 PolarHBondContact O-N 3.05Å; S142-L146 VanDerWaalsContact O-N 3.15Å; L143-L146 CarbonylContact O-C 3.47Å; L143-L146 PolarHBondContact O-N 3.22Å; D144-L146 PolarHBondContact O-N 3.16Å; L146-L148 VanDerWaalsContact C-N 3.27Å; L146-L148 HydrophobicContact CB-CD1 3.71Å; L146-L148 HydrophobicContact CB-CG 3.75Å; L146-L148 HydrophobicContact CD1-CD1 3.76Å; L146-L148 HydrophobicContact CG-CD1 4.39Å; L146-L148 PolarHBondContact O-N 3.49Å
147G98Very high97.8Very high65 Ų6555.5 Ų55.567%0.6729%0.289SS*.THydrogen-bonded Turntrans66.925.1-174.900000113.9L143 D144 Q145L143-G147 PolarHBondContact O-N 3.12Å; D144-G147 PolarHBondContact O-N 3.28Å; Q145-G147 VanDerWaalsContact C-N 3.31Å
148L98.4Very high97.8Very high38 Ų3849.7 Ų49.720%0.19927%0.267CS..  trans-88.4141.6-177.7-63.8171.6000111W14 Y119 L143 L146 Y150W14-L148 HydrophobicContact CD2-CD1 4.47Å; W14-L148 HydrophobicContact CH2-CD1 3.73Å; W14-L148 HydrophobicContact CH2-CD2 4.28Å; W14-L148 HydrophobicContact CZ2-CD1 3.62Å; W14-L148 HydrophobicContact CZ2-CD2 3.95Å; W14-L148 HydrophobicContact CZ2-CG 4.39Å; W14-L148 HydrophobicContact CZ3-CD1 4.2Å; Y119-L148 HydrophobicContact CD1-CD1 4.46Å; Y119-L148 HydrophobicContact CE1-CD1 3.79Å; Y119-L148 HydrophobicContact CE2-CB 4.34Å; L143-L148 HydrophobicContact CB-CB 4.37Å; L143-L148 HydrophobicContact CD2-CB 4.15Å; L143-L148 HydrophobicContact CD2-CD1 3.68Å; L143-L148 PolarHBondContact O-N 3.1Å; L146-L148 VanDerWaalsContact C-N 3.27Å; L146-L148 HydrophobicContact CB-CD1 3.71Å; L146-L148 HydrophobicContact CB-CG 3.75Å; L146-L148 HydrophobicContact CD1-CD1 3.76Å; L146-L148 HydrophobicContact CG-CD1 4.39Å; L146-L148 PolarHBondContact O-N 3.49Å; L148-Y150 WeakPolarHBondContact O-CD1 3.49Å
149K98.3Very high97.6Very high155 Ų15546 Ų4667%0.67425%0.253SS*.  trans-94.8134.4178.1-61.3-175.4179.6179.60111.4Y119 H178Y119-K149 WeakPolarHBondContact CE2-O 3.34Å; K149-H178 HydrophobicContact CB-CB 3.98Å; K149-H178 WeakPolarHBondContact CB-ND1 3.38Å; K149-H178 PolarHBondContact O-N 2.66Å
150Y98.4Very high97.4Very high36 Ų3647 Ų4714%0.14126%0.257CS..EExtended strand (participates in β ladder)trans-154164.6-175.861.7-79000111.5G140 L143 D144 L148 P152 F175 K176 H178G140-Y150 VanDerWaalsContact CA-OH 3.24Å; G140-Y150 WeakPolarHBondContact CA-OH 3.36Å; G140-Y150 PolarHBondContact O-OH 3.47Å; L143-Y150 HydrophobicContact CB-CD1 3.63Å; L143-Y150 HydrophobicContact CB-CE1 3.45Å; L143-Y150 VanDerWaalsContact CB-CE1 3.45Å; L143-Y150 HydrophobicContact CB-CG 4.48Å; L143-Y150 HydrophobicContact CD1-CD1 3.51Å; L143-Y150 HydrophobicContact CD1-CD2 3.85Å; L143-Y150 HydrophobicContact CD1-CE1 3.92Å; L143-Y150 HydrophobicContact CD1-CE2 4.18Å; L143-Y150 HydrophobicContact CD1-CG 3.5Å; L143-Y150 VanDerWaalsContact CD1-CG 3.5Å; L143-Y150 HydrophobicContact CG-CD1 4.21Å; L143-Y150 HydrophobicContact CG-CE1 4.35Å; D144-Y150 VanDerWaalsContact OD1-CE1 3.22Å; D144-Y150 WeakPolarHBondContact OD1-CE1 3.5Å; D144-Y150 PolarHBondContact OD1-OH 3.26Å; D144-Y150 PolarHBondContact OD2-OH 3.32Å; L148-Y150 WeakPolarHBondContact O-CD1 3.49Å; Y150-P152 HydrophobicContact CD2-CB 4.27Å; Y150-P152 HydrophobicContact CE2-CB 3.92Å; Y150-P152 WeakPolarHBondContact O-CD 3.41Å; Y150-F175 HydrophobicContact CD2-CB 3.91Å; Y150-F175 AromaticContact CD2-CD2 3.34Å; Y150-F175 HydrophobicContact CD2-CD2 3.34Å; Y150-F175 AromaticContact CD2-CE2 3.98Å; Y150-F175 HydrophobicContact CD2-CE2 3.98Å; Y150-F175 AromaticContact CD2-CG 3.81Å; Y150-F175 HydrophobicContact CD2-CG 3.81Å; Y150-F175 AromaticContact CE2-CD2 3.5Å; Y150-F175 HydrophobicContact CE2-CD2 3.5Å; Y150-F175 AromaticContact CE2-CE2 3.64Å; Y150-F175 HydrophobicContact CE2-CE2 3.64Å; Y150-F175 HydrophobicContact CE2-CG 4.32Å; Y150-F175 HydrophobicContact CG-CB 4.46Å; Y150-F175 HydrophobicContact CG-CD2 4.32Å; Y150-K176 CarbonylContact C-O 3.54Å; Y150-K176 VanDerWaalsContact CA-O 3.26Å; Y150-K176 WeakPolarHBondContact CA-O 3.43Å; Y150-K176 WeakPolarHBondContact CB-O 3.18Å; Y150-H178 PolarHBondContact O-NE2 2.86Å; Y150-H178 VanDerWaalsContact O-NE2 3.16Å
151T98Very high97Very high48 Ų4848.2 Ų48.229%0.29426%0.263SS..EExtended strand (participates in β ladder)trans-101.3108.9172.6-61.20000109D153 K176 H178T151-D153 WeakPolarHBondContact CG2-O 3.47Å; T151-K176 PolarHBondContact N-O 3.46Å; T151-H178 PolarHBondContact N-NE2 2.89Å; T151-H178 PolarHBondContact OG1-NE2 3.47Å; T151-H178 VanDerWaalsContact OG1-NE2 3.12Å
152P95.8Very high96Very high75 Ų7546.5 Ų46.549%0.48726%0.261SS..EExtended strand (participates in β ladder)trans-76.3-20.4-176.728.4-34.6000114Y150 F175Y150-P152 HydrophobicContact CD2-CB 4.27Å; Y150-P152 HydrophobicContact CE2-CB 3.92Å; Y150-P152 WeakPolarHBondContact O-CD 3.41Å; P152-F175 HydrophobicContact CB-CE1 4.44Å; P152-F175 HydrophobicContact CB-CZ 4.4Å; P152-F175 VanDerWaalsContact O-CE1 3.25Å; P152-F175 WeakPolarHBondContact O-CE1 3.21Å
153D94.3Very high94.7Very high60 Ų6049.8 Ų49.832%0.32128%0.282SS..EExtended strand (participates in β ladder)trans-141123.7178.1-148.1-5.5000109.5P76 R84 T151P76-D153 WeakPolarHBondContact CD-OD1 3.37Å; P76-D153 VanDerWaalsContact CG-OD2 3.25Å; P76-D153 WeakPolarHBondContact CG-OD2 3.22Å; R84-D153 IonicContact CZ-OD1 3.51Å; R84-D153 IonicContact CZ-OD2 2.83Å; R84-D153 IonicContact NH1-OD1 3.48Å; R84-D153 IonicContact NH1-OD2 2.75Å; R84-D153 PolarHBondContact NH1-OD2 3.3Å; R84-D153 IonicContact NH2-OD1 3.59Å; R84-D153 PolarHBondContact NH2-OD1 2.91Å; R84-D153 IonicContact NH2-OD2 3.66Å; T151-D153 WeakPolarHBondContact CG2-O 3.47Å
154P96Very high93.4Very high30 Ų3058.6 Ų58.620%0.19532%0.321CS..EExtended strand (participates in β ladder)cis-67.4154.20.531.3-36.3000113.7E73 S74 K75E73-P154 HydrophobicContact CG-CB 3.79Å; E73-P154 HydrophobicContact CG-CG 4.41Å; S74-P154 VanDerWaalsContact O-CA 3.3Å; S74-P154 WeakPolarHBondContact O-CA 3.22Å; S74-P154 WeakPolarHBondContact O-CB 3.45Å; K75-P154 HydrophobicContact CB-CB 3.85Å
155F97.9Very high92.2Very high11 Ų1157.7 Ų57.75%0.04831%0.312CS..EExtended strand (participates in β ladder)trans-116.6157.5166.377.6-92000110.5S74 L133 A136 I173 F175S74-F155 PolarHBondContact N-O 3.32Å; S74-F155 PolarHBondContact O-N 3.38Å; L133-F155 HydrophobicContact CD2-CE1 3.9Å; L133-F155 HydrophobicContact CD2-CZ 3.84Å; A136-F155 HydrophobicContact CB-CD2 4.48Å; F155-I173 HydrophobicContact CD2-CD1 4.38Å; F155-I173 HydrophobicContact CD2-CG2 4.17Å; F155-I173 HydrophobicContact CE2-CD1 4.31Å; F155-F175 HydrophobicContact CB-CD1 3.61Å; F155-F175 HydrophobicContact CB-CE1 3.44Å; F155-F175 VanDerWaalsContact CB-CE1 3.44Å; F155-F175 HydrophobicContact CG-CE1 4.33Å
156Y98.4Very high90.9Very high4 Ų456.6 Ų56.62%0.01631%0.31CS..EExtended strand (participates in β ladder)trans-112.9133.6176.5-55-101.2000110.3I72 E73 M116 I173 W174 K176I72-Y156 WeakPolarHBondContact O-CA 3.31Å; E73-Y156 HydrophobicContact CB-CD1 3.69Å; E73-Y156 HydrophobicContact CB-CE1 3.48Å; E73-Y156 VanDerWaalsContact CB-CE1 3.48Å; E73-Y156 HydrophobicContact CG-CD1 4.06Å; E73-Y156 HydrophobicContact CG-CE1 3.53Å; E73-Y156 VanDerWaalsContact OE1-CZ 3.26Å; E73-Y156 PolarHBondContact OE1-OH 3Å; M116-Y156 HydrophobicContact CE-CE2 4.08Å; Y156-I173 CarbonylContact O-C 3.52Å; Y156-I173 VanDerWaalsContact O-CA 3.32Å; Y156-I173 WeakPolarHBondContact O-CA 3.44Å; Y156-W174 HydrophobicContact CD2-CB 4.42Å; Y156-W174 HydrophobicContact CG-CE3 4.37Å; Y156-W174 PolarHBondContact N-O 2.91Å; Y156-W174 PolarHBondContact O-N 3.01Å; Y156-K176 HydrophobicContact CE2-CG 4.43Å; Y156-K176 VanDerWaalsContact OH-CE 3.25Å; Y156-K176 WeakPolarHBondContact OH-CE 3.37Å; Y156-K176 PolarHBondContact OH-NZ 2.82Å
157F98.1Very high89.8Confident23 Ų2360.4 Ų60.410%0.10133%0.329CS..EExtended strand (participates in β ladder)trans-87.6137.4155.7166.6-97.6000108.8M39 T71 I72 Y123 S127 A132 N171 E172 I173M39-F157 HydrophobicContact CE-CB 4.39Å; M39-F157 HydrophobicContact CE-CD1 4.43Å; M39-F157 HydrophobicContact CE-CD2 4.29Å; M39-F157 HydrophobicContact CE-CG 4.11Å; M39-F157 HydrophobicContact SD-CB 3.59Å; M39-F157 VanDerWaalsContact SD-CB 3.59Å; M39-F157 HydrophobicContact SD-CD1 4.19Å; M39-F157 HydrophobicContact SD-CG 3.87Å; T71-F157 CarbonylContact C-O 3.45Å; T71-F157 VanDerWaalsContact CA-O 3.26Å; T71-F157 WeakPolarHBondContact CA-O 3.46Å; I72-F157 HydrophobicContact CB-CB 4.45Å; I72-F157 HydrophobicContact CB-CD1 4.47Å; I72-F157 HydrophobicContact CD1-CD1 4.05Å; I72-F157 HydrophobicContact CG1-CD1 4.22Å; I72-F157 PolarHBondContact N-O 3.02Å; I72-F157 PolarHBondContact O-N 3.43Å; Y123-F157 WeakPolarHBondContact OH-CD2 3.27Å; Y123-F157 WeakPolarHBondContact OH-CE2 3.39Å; S127-F157 WeakPolarHBondContact OG-CE2 3.47Å; A132-F157 HydrophobicContact CB-CD2 4.45Å; F157-N171 HydrophobicContact CE2-CB 3.82Å; F157-N171 HydrophobicContact CZ-CB 4.44Å; F157-E172 WeakPolarHBondContact CA-O 3.38Å; F157-I173 HydrophobicContact CB-CD1 4.39Å; F157-I173 HydrophobicContact CD2-CD1 4.39Å
158A97.8Very high89Confident0 Ų063.8 Ų63.80%033%0.332CS..EExtended strand (participates in β ladder)trans-129.2114.5174.900000110.7P69 V70 T71 Y160 N171 E172 W174P69-A158 HydrophobicContact CB-CB 3.78Å; P69-A158 HydrophobicContact CG-CB 3.93Å; V70-A158 CarbonylContact O-C 3.53Å; V70-A158 WeakPolarHBondContact O-CA 3.5Å; T71-A158 HydrophobicContact CG2-CB 4.4Å; A158-Y160 HydrophobicContact CB-CE2 4.22Å; A158-N171 CarbonylContact O-C 3.57Å; A158-N171 WeakPolarHBondContact O-CA 3.35Å; A158-E172 HydrophobicContact CB-CB 4.22Å; A158-E172 PolarHBondContact N-O 3.46Å; A158-E172 PolarHBondContact O-N 3.31Å; A158-W174 HydrophobicContact CB-CD2 4.22Å; A158-W174 HydrophobicContact CB-CH2 4.08Å; A158-W174 HydrophobicContact CB-CZ2 3.44Å; A158-W174 VanDerWaalsContact CB-CZ2 3.44Å
159G95.8Very high88.6Confident8 Ų863.4 Ų63.48%0.08233%0.328CS..EExtended strand (participates in β ladder)trans-105.5128.2178.600000111.6P69 V70P69-G159 CarbonylContact C-O 3.59Å; P69-G159 VanDerWaalsContact CA-O 3.31Å; P69-G159 WeakPolarHBondContact CA-O 3.34Å; P69-G159 WeakPolarHBondContact CB-O 3.32Å; V70-G159 PolarHBondContact N-O 3.23Å; V70-G159 PolarHBondContact O-N 3.22Å
160Y94.5Very high88.4Confident20 Ų2059.9 Ų59.98%0.07831%0.31CS..  trans-98.2-12.2-173.1-75.1-100.7000114.3R22 A68 P69 A158 R170 E172R22-Y160 PolarHBondContact NH1-OH 3.24Å; A68-Y160 HydrophobicContact CB-CD1 3.98Å; P69-Y160 HydrophobicContact CB-CD1 4.29Å; P69-Y160 HydrophobicContact CB-CD2 4.02Å; P69-Y160 HydrophobicContact CB-CE1 4.09Å; P69-Y160 HydrophobicContact CB-CE2 3.79Å; P69-Y160 HydrophobicContact CB-CG 4.26Å; P69-Y160 HydrophobicContact CG-CE1 4.3Å; P69-Y160 HydrophobicContact CG-CE2 4.29Å; A158-Y160 HydrophobicContact CB-CE2 4.22Å; Y160-R170 HydrophobicContact CD2-CB 4.4Å; Y160-R170 HydrophobicContact CD2-CG 3.73Å; Y160-R170 HydrophobicContact CE2-CG 4.33Å; Y160-R170 HydrophobicContact CG-CB 4.43Å; Y160-R170 HydrophobicContact CG-CG 4.05Å; Y160-R170 PolarHBondContact N-O 3.43Å; Y160-R170 VanDerWaalsContact N-O 3.12Å; Y160-E172 HydrophobicContact CD2-CG 4.46Å; Y160-E172 HydrophobicContact CE2-CB 4.42Å; Y160-E172 VanDerWaalsContact CE2-CD 3.43Å; Y160-E172 HydrophobicContact CE2-CG 3.77Å; Y160-E172 PolarHBondContact OH-OE2 2.94Å; Y160-E172 VanDerWaalsContact OH-OE2 3.08Å
161D88.8Confident88.3Confident31 Ų3158.3 Ų58.317%0.16631%0.305CS..SBendtrans-118.3138.7-166.8-58.5-73.2000113.7K165 R169 R170D161-K165 HydrophobicContact CB-CB 4.04Å; D161-K165 HydrophobicContact CB-CD 3.64Å; D161-K165 HydrophobicContact CB-CG 4.45Å; D161-K165 WeakPolarHBondContact OD1-CD 3.19Å; D161-K165 WeakPolarHBondContact OD1-CE 3.25Å; D161-K165 IonicContact OD1-NZ 3.7Å; D161-K165 PolarHBondContact OD1-NZ 3.42Å; D161-K165 IonicContact OD2-NZ 2.58Å; D161-R169 PolarHBondContact O-NH2 3.4Å; D161-R169 WeakPolarHBondContact OD2-CA 3.36Å; D161-R170 PolarHBondContact OD2-N 3.33Å
162S77.9Confident88.3Confident58 Ų5856 Ų5641%0.40629%0.29SS..  trans-51.7148.7171.8172.60000112.1F164 K165 R169S162-F164 PolarHBondContact O-N 3.25Å; S162-F164 WeakPolarHBondContact OG-CD2 3.49Å; S162-F164 PolarHBondContact OG-N 3.06Å; S162-K165 PolarHBondContact O-N 3.15Å; S162-R169 PolarHBondContact O-NH1 2.97Å
163P70.9Confident88.5Confident84 Ų8452.5 Ų52.555%0.54527%0.267SS..THydrogen-bonded Turntrans-50.2-29.3172.8-2835.1000114.2K165P163-K165 VanDerWaalsContact C-N 3.33Å; P163-K165 PolarHBondContact O-N 2.77Å
164F69.9Low88.7Confident186 Ų18649.8 Ų49.882%0.81625%0.253SS*.THydrogen-bonded Turntrans-79.6-9.3-178.8-55.1-67.7000114.4S162 L166S162-F164 PolarHBondContact O-N 3.25Å; S162-F164 WeakPolarHBondContact OG-CD2 3.49Å; S162-F164 PolarHBondContact OG-N 3.06Å; F164-L166 PolarHBondContact O-N 3.02Å
165K73.2Confident88.8Confident83 Ų8348.8 Ų48.836%0.36125%0.245SC..  trans-84106.6176.7-166.4-171.8-179.4-176.70110.2D161 S162 P163 I167 N168 R169D161-K165 HydrophobicContact CB-CB 4.04Å; D161-K165 HydrophobicContact CB-CD 3.64Å; D161-K165 HydrophobicContact CB-CG 4.45Å; D161-K165 WeakPolarHBondContact OD1-CD 3.19Å; D161-K165 WeakPolarHBondContact OD1-CE 3.25Å; D161-K165 IonicContact OD1-NZ 3.7Å; D161-K165 PolarHBondContact OD1-NZ 3.42Å; D161-K165 IonicContact OD2-NZ 2.58Å; S162-K165 PolarHBondContact O-N 3.15Å; P163-K165 VanDerWaalsContact C-N 3.33Å; P163-K165 PolarHBondContact O-N 2.77Å; K165-I167 VanDerWaalsContact CE-O 3.27Å; K165-I167 WeakPolarHBondContact CE-O 3.01Å; K165-N168 WeakPolarHBondContact CE-O 3.42Å; K165-N168 PolarHBondContact NZ-O 3.01Å; K165-R169 WeakPolarHBondContact O-CD 3.29Å; K165-R169 WeakPolarHBondContact O-CG 3.35Å; K165-R169 PolarHBondContact O-NH1 2.82Å
166L71Confident88.8Confident128 Ų12851.6 Ų51.667%0.6726%0.257SS*.  trans-86.3-26.6-173.2-58.3178.6000114.2F126 F164F126-L166 HydrophobicContact CZ-CD2 4.16Å; F164-L166 PolarHBondContact O-N 3.02Å
167I75.3Confident88.8Confident126 Ų12652.2 Ų52.265%0.64626%0.264SS*.SBendtrans-122.9157.9-17659.5172.6000111.9K165 R169K165-I167 VanDerWaalsContact CE-O 3.27Å; K165-I167 WeakPolarHBondContact CE-O 3.01Å; I167-R169 VanDerWaalsContact C-N 3.25Å; I167-R169 PolarHBondContact O-N 3.07Å
168N81.1Confident88.6Confident136 Ų13659.2 Ų59.273%0.72730%0.296SS*.SBendtrans49.944.9177.1-62-26.1000113.4K165K165-N168 WeakPolarHBondContact CE-O 3.42Å; K165-N168 PolarHBondContact NZ-O 3.01Å
169R89.8Confident88.2Confident30 Ų3062.2 Ų62.211%0.11331%0.311CS..  trans-71.1137.7173.6-60-175.266.279.56.6109.8S124 G125 D161 S162 K165 I167S124-R169 WeakPolarHBondContact CA-O 3.42Å; G125-R169 PolarHBondContact N-O 3.29Å; D161-R169 PolarHBondContact O-NH2 3.4Å; D161-R169 WeakPolarHBondContact OD2-CA 3.36Å; S162-R169 PolarHBondContact O-NH1 2.97Å; K165-R169 WeakPolarHBondContact O-CD 3.29Å; K165-R169 WeakPolarHBondContact O-CG 3.35Å; K165-R169 PolarHBondContact O-NH1 2.82Å; I167-R169 VanDerWaalsContact C-N 3.25Å; I167-R169 PolarHBondContact O-N 3.07Å
170R94.6Very high87.8Confident81 Ų8165 Ų6531%0.30632%0.323SS..EExtended strand (participates in β ladder)trans-105.4120.5172.8174.5-178.3175.7-179.6-5.3108.6Y8 T122 Y160 D161 E172Y8-R170 PolarHBondContact OH-NH2 3.21Å; T122-R170 HydrophobicContact CG2-CG 4.11Å; Y160-R170 HydrophobicContact CD2-CB 4.4Å; Y160-R170 HydrophobicContact CD2-CG 3.73Å; Y160-R170 HydrophobicContact CE2-CG 4.33Å; Y160-R170 HydrophobicContact CG-CB 4.43Å; Y160-R170 HydrophobicContact CG-CG 4.05Å; Y160-R170 PolarHBondContact N-O 3.43Å; Y160-R170 VanDerWaalsContact N-O 3.12Å; D161-R170 PolarHBondContact OD2-N 3.33Å; R170-E172 IonicContact CZ-OE1 3.87Å; R170-E172 IonicContact NE-OE1 3.52Å; R170-E172 PolarHBondContact NE-OE1 3.06Å; R170-E172 IonicContact NH2-OE1 2.93Å; R170-E172 PolarHBondContact NH2-OE1 3.48Å
171N96.2Very high87.4Confident3 Ų367.5 Ų67.52%0.01634%0.337CS..EExtended strand (participates in β ladder)trans-123.5153.7169.4-49.1-83.4000108.6T122 Y123 G125 F157 A158T122-N171 WeakPolarHBondContact CA-O 3.25Å; Y123-N171 HydrophobicContact CD1-CB 4.03Å; Y123-N171 HydrophobicContact CD2-CB 4.11Å; Y123-N171 HydrophobicContact CE1-CB 3.58Å; Y123-N171 HydrophobicContact CE2-CB 3.68Å; Y123-N171 HydrophobicContact CG-CB 4.29Å; Y123-N171 VanDerWaalsContact CZ-CB 3.41Å; Y123-N171 PolarHBondContact N-O 2.86Å; Y123-N171 PolarHBondContact O-N 3.4Å; Y123-N171 PolarHBondContact O-ND2 2.99Å; G125-N171 PolarHBondContact O-ND2 3.22Å; F157-N171 HydrophobicContact CE2-CB 3.82Å; F157-N171 HydrophobicContact CZ-CB 4.44Å; A158-N171 CarbonylContact O-C 3.57Å; A158-N171 WeakPolarHBondContact O-CA 3.35Å
172E97.8Very high87.3Confident0 Ų069.6 Ų69.60%035%0.347CS..EExtended strand (participates in β ladder)trans-136.7152176-57.9-179.2171.700111.6R22 W121 T122 F157 A158 Y160 R170 W174R22-E172 IonicContact CZ-OE1 3.87Å; R22-E172 IonicContact CZ-OE2 2.87Å; R22-E172 IonicContact NH1-OE1 2.78Å; R22-E172 PolarHBondContact NH1-OE1 2.88Å; R22-E172 IonicContact NH1-OE2 3.86Å; R22-E172 PolarHBondContact NH1-OE2 2.83Å; R22-E172 IonicContact NH2-OE1 2.73Å; R22-E172 PolarHBondContact NH2-OE1 2.81Å; R22-E172 IonicContact NH2-OE2 3.15Å; W121-E172 CarbonylContact O-C 3.56Å; W121-E172 WeakPolarHBondContact O-CA 3.41Å; T122-E172 HydrophobicContact CG2-CG 4.38Å; F157-E172 WeakPolarHBondContact CA-O 3.38Å; A158-E172 HydrophobicContact CB-CB 4.22Å; A158-E172 PolarHBondContact N-O 3.46Å; A158-E172 PolarHBondContact O-N 3.31Å; Y160-E172 HydrophobicContact CD2-CG 4.46Å; Y160-E172 HydrophobicContact CE2-CB 4.42Å; Y160-E172 VanDerWaalsContact CE2-CD 3.43Å; Y160-E172 HydrophobicContact CE2-CG 3.77Å; Y160-E172 PolarHBondContact OH-OE2 2.94Å; Y160-E172 VanDerWaalsContact OH-OE2 3.08Å; R170-E172 IonicContact CZ-OE1 3.87Å; R170-E172 IonicContact NE-OE1 3.52Å; R170-E172 PolarHBondContact NE-OE1 3.06Å; R170-E172 IonicContact NH2-OE1 2.93Å; R170-E172 PolarHBondContact NH2-OE1 3.48Å; E172-W174 PolarHBondContact OE2-NE1 3.3Å
173I98.6Very high87.9Confident0 Ų070.4 Ų70.40%034%0.343CS..EExtended strand (participates in β ladder)trans-110.6135.4162.1-59.4-59.7000108.8C120 W121 Y123 A132 N135 A136 L139 F155 Y156 F157 F175C120-I173 WeakPolarHBondContact CA-O 3.17Å; W121-I173 PolarHBondContact N-O 2.96Å; W121-I173 PolarHBondContact O-N 3.29Å; Y123-I173 HydrophobicContact CE1-CD1 4.27Å; Y123-I173 HydrophobicContact CE1-CG1 3.96Å; A132-I173 HydrophobicContact CB-CD1 3.96Å; N135-I173 HydrophobicContact CB-CG1 3.73Å; A136-I173 HydrophobicContact CB-CG2 3.86Å; L139-I173 HydrophobicContact CD2-CG2 4.19Å; F155-I173 HydrophobicContact CD2-CD1 4.38Å; F155-I173 HydrophobicContact CD2-CG2 4.17Å; F155-I173 HydrophobicContact CE2-CD1 4.31Å; Y156-I173 CarbonylContact O-C 3.52Å; Y156-I173 VanDerWaalsContact O-CA 3.32Å; Y156-I173 WeakPolarHBondContact O-CA 3.44Å; F157-I173 HydrophobicContact CB-CD1 4.39Å; F157-I173 HydrophobicContact CD2-CD1 4.39Å; I173-F175 HydrophobicContact CG2-CE1 4.48Å
174W98.7Very high89Confident4 Ų469.5 Ų69.52%0.01533%0.329CS..EExtended strand (participates in β ladder)trans-118.5134176.3-48.9-19.1000111.8Y24 P69 T71 V118 Y119 Y156 A158 E172Y24-W174 HydrophobicContact CE1-CH2 4.24Å; Y24-W174 HydrophobicContact CE2-CH2 4.19Å; Y24-W174 HydrophobicContact CE2-CZ2 4.46Å; Y24-W174 HydrophobicContact CE2-CZ3 4.36Å; Y24-W174 AromaticContact CZ-CH2 3.71Å; Y24-W174 AromaticContact CZ-CZ2 3.99Å; Y24-W174 WeakPolarHBondContact OH-CH2 3.43Å; Y24-W174 VanDerWaalsContact OH-CZ2 3.31Å; Y24-W174 WeakPolarHBondContact OH-CZ2 3.5Å; P69-W174 HydrophobicContact CG-CH2 3.73Å; P69-W174 HydrophobicContact CG-CZ2 3.87Å; T71-W174 HydrophobicContact CG2-CH2 4.01Å; T71-W174 HydrophobicContact CG2-CZ3 3.95Å; V118-W174 HydrophobicContact CB-CB 4.13Å; V118-W174 HydrophobicContact CG1-CB 4.21Å; V118-W174 HydrophobicContact CG2-CD2 4.47Å; V118-W174 HydrophobicContact CG2-CG 4.44Å; Y119-W174 VanDerWaalsContact O-CA 3.27Å; Y119-W174 WeakPolarHBondContact O-CA 3.47Å; Y156-W174 HydrophobicContact CD2-CB 4.42Å; Y156-W174 HydrophobicContact CG-CE3 4.37Å; Y156-W174 PolarHBondContact N-O 2.91Å; Y156-W174 PolarHBondContact O-N 3.01Å; A158-W174 HydrophobicContact CB-CD2 4.22Å; A158-W174 HydrophobicContact CB-CH2 4.08Å; A158-W174 HydrophobicContact CB-CZ2 3.44Å; A158-W174 VanDerWaalsContact CB-CZ2 3.44Å; E172-W174 PolarHBondContact OE2-NE1 3.3Å
175F98.7Very high90.4Very high8 Ų861.1 Ų61.14%0.03530%0.295CS..EExtended strand (participates in β ladder)trans-112.4142161.4-66.5-34.6000109.5V118 Y119 A136 L139 L143 Y150 P152 F155 I173 A177V118-F175 CarbonylContact C-O 3.21Å; V118-F175 WeakPolarHBondContact CA-O 3.4Å; V118-F175 WeakPolarHBondContact CB-O 3.46Å; Y119-F175 PolarHBondContact N-O 3.24Å; Y119-F175 PolarHBondContact O-N 2.72Å; Y119-F175 VanDerWaalsContact O-N 3.09Å; A136-F175 HydrophobicContact CB-CE1 4.24Å; A136-F175 HydrophobicContact CB-CZ 3.96Å; A136-F175 WeakPolarHBondContact O-CE2 3.32Å; A136-F175 VanDerWaalsContact O-CZ 3.29Å; A136-F175 WeakPolarHBondContact O-CZ 3.32Å; L139-F175 HydrophobicContact CB-CD2 4.36Å; L139-F175 HydrophobicContact CB-CE2 4.07Å; L139-F175 HydrophobicContact CD2-CB 4.33Å; L139-F175 HydrophobicContact CD2-CD2 3.57Å; L139-F175 HydrophobicContact CD2-CE2 4.03Å; L139-F175 HydrophobicContact CD2-CG 3.93Å; L139-F175 HydrophobicContact CG-CD2 3.67Å; L139-F175 HydrophobicContact CG-CE2 3.89Å; L143-F175 HydrophobicContact CD1-CD2 3.9Å; Y150-F175 HydrophobicContact CD2-CB 3.91Å; Y150-F175 AromaticContact CD2-CD2 3.34Å; Y150-F175 HydrophobicContact CD2-CD2 3.34Å; Y150-F175 AromaticContact CD2-CE2 3.98Å; Y150-F175 HydrophobicContact CD2-CE2 3.98Å; Y150-F175 AromaticContact CD2-CG 3.81Å; Y150-F175 HydrophobicContact CD2-CG 3.81Å; Y150-F175 AromaticContact CE2-CD2 3.5Å; Y150-F175 HydrophobicContact CE2-CD2 3.5Å; Y150-F175 AromaticContact CE2-CE2 3.64Å; Y150-F175 HydrophobicContact CE2-CE2 3.64Å; Y150-F175 HydrophobicContact CE2-CG 4.32Å; Y150-F175 HydrophobicContact CG-CB 4.46Å; Y150-F175 HydrophobicContact CG-CD2 4.32Å; P152-F175 HydrophobicContact CB-CE1 4.44Å; P152-F175 HydrophobicContact CB-CZ 4.4Å; P152-F175 VanDerWaalsContact O-CE1 3.25Å; P152-F175 WeakPolarHBondContact O-CE1 3.21Å; F155-F175 HydrophobicContact CB-CD1 3.61Å; F155-F175 HydrophobicContact CB-CE1 3.44Å; F155-F175 VanDerWaalsContact CB-CE1 3.44Å; F155-F175 HydrophobicContact CG-CE1 4.33Å; I173-F175 HydrophobicContact CG2-CE1 4.48Å; F175-A177 PolarHBondContact O-N 3.42Å
176K98.4Very high91.7Very high70 Ų7059.5 Ų59.530%0.30429%0.29SS..EExtended strand (participates in β ladder)trans-67.3129173.1-72.1-179.4-179.51710109.1M116 Y150 T151 Y156M116-K176 HydrophobicContact CE-CG 4.1Å; Y150-K176 CarbonylContact C-O 3.54Å; Y150-K176 VanDerWaalsContact CA-O 3.26Å; Y150-K176 WeakPolarHBondContact CA-O 3.43Å; Y150-K176 WeakPolarHBondContact CB-O 3.18Å; T151-K176 PolarHBondContact N-O 3.46Å; Y156-K176 HydrophobicContact CE2-CG 4.43Å; Y156-K176 VanDerWaalsContact OH-CE 3.25Å; Y156-K176 WeakPolarHBondContact OH-CE 3.37Å; Y156-K176 PolarHBondContact OH-NZ 2.82Å
177A98.3Very high93.5Very high18 Ų1853.8 Ų53.815%0.14926%0.258CS..EExtended strand (participates in β ladder)trans-76.7150.8170.700000109.9L21 K117 Y119 F175L21-A177 HydrophobicContact CD1-CB 3.81Å; K117-A177 HydrophobicContact CB-CB 3.99Å; K117-A177 PolarHBondContact O-N 3.23Å; Y119-A177 HydrophobicContact CD2-CB 3.81Å; Y119-A177 HydrophobicContact CE2-CB 3.39Å; F175-A177 PolarHBondContact O-N 3.42Å
178H94Very high95.1Very high169 Ų16947.2 Ų47.278%0.78222%0.223SC*.  trans-820171.6-65.9-175.1000111.5K149 Y150 T151K149-H178 HydrophobicContact CB-CB 3.98Å; K149-H178 WeakPolarHBondContact CB-ND1 3.38Å; K149-H178 PolarHBondContact O-N 2.66Å; Y150-H178 PolarHBondContact O-NE2 2.86Å; Y150-H178 VanDerWaalsContact O-NE2 3.16Å; T151-H178 PolarHBondContact N-NE2 2.89Å; T151-H178 PolarHBondContact OG1-NE2 3.47Å; T151-H178 VanDerWaalsContact OG1-NE2 3.12Å

Retrieved 178 of 178 residues in 79.8 ms (Link to these results)

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