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ADP-ribose glycohydrolase OARD1

ADP-ribose glycohydrolase that hydrolyzes ADP-ribose and acts on different substrates, such as proteins ADP-ribosylated on glutamate and O-acetyl-ADP-D-ribose. Specifically acts as a glutamate mono-ADP-ribosylhydrolase by mediating the removal of mono-ADP-ribose attached to glutamate residues on proteins. Does not act on poly-ADP-ribosylated proteins: the poly-ADP-ribose chain of poly-ADP-ribosylated glutamate residues must by hydrolyzed into mono-ADP-ribosylated glutamate by PARG to become a substrate for OARD1. Deacetylates O-acetyl-ADP ribose, a signaling molecule generated by the deacetylation of acetylated lysine residues in histones and other proteins. Catalyzes the deacylation of O-acetyl-ADP-ribose, O-propionyl-ADP-ribose and O-butyryl-ADP-ribose, yielding ADP-ribose plus acetate, propionate and butyrate, respectively.

AlphaFold DB (Q9Y530), UniProt , Accession A0A096NI15, Species PAPAN (Papio anubis, Olive baboon), Gene OARD1, Length 152 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
1M40.7Very low48.2Very low246 Ų246137 Ų137100%1.21280%0.802SS**  0117.80-85.3-179.9174.900107.4S3M1-S3 PolarHBondContact O-N 3.13Å
2A42.3Very low49.7Very low101 Ų101128.5 Ų128.584%0.83576%0.755SS**  trans-67.8123.7168.900000108.4
3S44.3Very low52.1Low112 Ų112124.2 Ų124.278%0.78372%0.719SS**  trans-106.695.614858.20000105.1M1 L5M1-S3 PolarHBondContact O-N 3.13Å; S3-L5 PolarHBondContact O-N 3.34Å; S3-L5 VanDerWaalsContact O-N 3.09Å
4S46.6Very low55.3Low97 Ų97115.5 Ų115.568%0.67867%0.668SS**  trans-44.5115.6162.7-240000107N6S4-N6 PolarHBondContact O-N 3Å; S4-N6 VanDerWaalsContact O-N 3.11Å
5L49.5Very low58.1Low158 Ų158112.9 Ų112.983%0.82766%0.655SS**  trans-56.6116.8155.1-73.2157.7000103.6S3 E7S3-L5 PolarHBondContact O-N 3.34Å; S3-L5 VanDerWaalsContact O-N 3.09Å; L5-E7 VanDerWaalsContact C-N 3.27Å; L5-E7 PolarHBondContact O-N 3.26Å
6N49.6Very low60.5Low146 Ų146110.5 Ų110.578%0.78163%0.632SS**  trans-57.1105167.8-74.1-27.7000104.8S4 D8S4-N6 PolarHBondContact O-N 3Å; S4-N6 VanDerWaalsContact O-N 3.11Å; N6-D8 PolarHBondContact O-N 3.41Å
7E47.9Very low62.7Low187 Ų187106.9 Ų106.987%0.87461%0.612SS**  trans-63.9108.5170.2-64.3-172133.300104.8L5L5-E7 VanDerWaalsContact C-N 3.27Å; L5-E7 PolarHBondContact O-N 3.26Å
8D52.8Low64.7Low72 Ų72110.4 Ų110.439%0.38562%0.62SS.*  trans-52.5137.9172.4-71.3-44.2000107.5N6 E10 Y16N6-D8 PolarHBondContact O-N 3.41Å; D8-E10 PolarHBondContact O-N 3.17Å; D8-E10 VanDerWaalsContact O-N 3.08Å; D8-Y16 VanDerWaalsContact OD1-CD2 3.26Å; D8-Y16 WeakPolarHBondContact OD1-CD2 3.16Å
9P51.2Low66.4Low97 Ų97106 Ų10663%0.6360%0.601SS**  trans-51.5124.5-179.8-22.430.7000109.1G11 S12P9-G11 PolarHBondContact O-N 3.25Å; P9-S12 PolarHBondContact O-N 2.95Å
10E46.5Very low67.9Low210 Ų210104.7 Ų104.798%0.98159%0.592SS**THydrogen-bonded Turntrans-52107.4177.9-167.9167.2-164.100108.6D8D8-E10 PolarHBondContact O-N 3.17Å; D8-E10 VanDerWaalsContact O-N 3.08Å
11G58.4Low69.3Low81 Ų8199.9 Ų99.984%0.83557%0.565SS**THydrogen-bonded Turntrans112.7-4.5-173.200000116.8P9 R13P9-G11 PolarHBondContact O-N 3.25Å; G11-R13 PolarHBondContact O-N 3.13Å
12S66.2Low72Confident35 Ų3589.4 Ų89.425%0.24551%0.513CS..  trans-65.5131.5173.3-179.10000111P9 I14 E137P9-S12 PolarHBondContact O-N 2.95Å; S12-I14 PolarHBondContact O-N 3.2Å; S12-I14 PolarHBondContact OG-N 3.21Å; S12-E137 PolarHBondContact OG-OE1 3.43Å
13R81.2Confident74.7Confident73 Ų7388.3 Ų88.328%0.27550%0.504SS..SBendtrans-77-10.9178.3-177.8171-78.3-94.55112.6G11 F140 E141 T143 I145G11-R13 PolarHBondContact O-N 3.13Å; R13-F140 VanDerWaalsContact CZ-O 3.31Å; R13-F140 PolarHBondContact NE-O 2.87Å; R13-E141 PolarHBondContact NH2-O 2.85Å; R13-T143 PolarHBondContact NH1-O 3.38Å; R13-T143 PolarHBondContact NH2-O 3.41Å; R13-I145 PolarHBondContact NH1-O 3.29Å
14I96.5Very high77.2Confident2 Ų283.4 Ų83.41%0.0147%0.469CS..EExtended strand (participates in β ladder)trans-101.6116.7-177.3-55.7179.9000109.1S12 Y16 I136 E137 I147 V149S12-I14 PolarHBondContact O-N 3.2Å; S12-I14 PolarHBondContact OG-N 3.21Å; I14-Y16 HydrophobicContact CB-CE2 4.1Å; I14-Y16 HydrophobicContact CG2-CD1 4.43Å; I14-Y16 HydrophobicContact CG2-CD2 4.27Å; I14-Y16 HydrophobicContact CG2-CE1 3.98Å; I14-Y16 HydrophobicContact CG2-CE2 3.8Å; I14-I136 HydrophobicContact CD1-CB 4.15Å; I14-I136 HydrophobicContact CD1-CG2 3.91Å; I14-I136 HydrophobicContact CG1-CG2 4.32Å; I14-E137 HydrophobicContact CD1-CG 3.84Å; I14-E137 HydrophobicContact CG1-CG 3.95Å; I14-I147 WeakPolarHBondContact CA-O 3.48Å; I14-I147 HydrophobicContact CG1-CG2 4.41Å; I14-V149 HydrophobicContact CG2-CB 3.92Å; I14-V149 HydrophobicContact CG2-CG2 3.45Å; I14-V149 VanDerWaalsContact CG2-CG2 3.45Å
15T97.3Very high79.6Confident77 Ų7782 Ų8247%0.47246%0.458SS..EExtended strand (participates in β ladder)trans-87.5131.1167.1-570000109.7I147 T148 V149T15-I147 PolarHBondContact N-O 3.43Å; T15-T148 CarbonylContact O-C 3.57Å; T15-T148 VanDerWaalsContact O-CA 3.27Å; T15-T148 WeakPolarHBondContact O-CA 3.38Å; T15-V149 PolarHBondContact O-N 3.11Å
16Y97.4Very high81.9Confident74 Ų7483.1 Ų83.129%0.2946%0.456SS..EExtended strand (participates in β ladder)trans-99.5133.1177.6-66.3-87.2000111.9D8 I14 W129 V149D8-Y16 VanDerWaalsContact OD1-CD2 3.26Å; D8-Y16 WeakPolarHBondContact OD1-CD2 3.16Å; I14-Y16 HydrophobicContact CB-CE2 4.1Å; I14-Y16 HydrophobicContact CG2-CD1 4.43Å; I14-Y16 HydrophobicContact CG2-CD2 4.27Å; I14-Y16 HydrophobicContact CG2-CE1 3.98Å; I14-Y16 HydrophobicContact CG2-CE2 3.8Å; Y16-W129 AromaticContact CE1-CE2 3.99Å; Y16-W129 AromaticContact CE1-CZ2 3.72Å; Y16-W129 HydrophobicContact CE1-CZ2 3.72Å; Y16-W129 AromaticContact CE1-NE1 3.69Å; Y16-W129 PolarHBondContact OH-NE1 3.49Å; Y16-V149 HydrophobicContact CD1-CB 3.93Å; Y16-V149 HydrophobicContact CD1-CG1 4.04Å; Y16-V149 HydrophobicContact CE1-CB 4.04Å; Y16-V149 HydrophobicContact CE1-CG1 4.07Å
17V98Very high84.1Confident49 Ų4981.7 Ų81.730%0.29745%0.453SS..EExtended strand (participates in β ladder)trans-127.1130.3177.9176.50000110T148 V149 Y150 T151V17-T148 HydrophobicContact CB-CG2 4.16Å; V17-T148 HydrophobicContact CG2-CG2 3.49Å; V17-T148 VanDerWaalsContact CG2-CG2 3.49Å; V17-V149 PolarHBondContact N-O 3.27Å; V17-Y150 HydrophobicContact CB-CD1 4Å; V17-Y150 HydrophobicContact CB-CE1 3.91Å; V17-Y150 HydrophobicContact CB-CG 4.38Å; V17-Y150 HydrophobicContact CG1-CD1 3.79Å; V17-Y150 HydrophobicContact CG1-CE1 3.52Å; V17-Y150 WeakPolarHBondContact O-CA 3.41Å; V17-T151 PolarHBondContact O-N 3.1Å
18K97.8Very high86.5Confident171 Ų17173.3 Ų73.374%0.74341%0.414SS*.EExtended strand (participates in β ladder)trans-87109.8167.1-170.1177.7-177.7178.30109.3T151 L152K18-T151 CarbonylContact C-O 3.54Å; K18-T151 VanDerWaalsContact CA-O 3.28Å; K18-T151 WeakPolarHBondContact CA-O 3.36Å; K18-L152 WeakPolarHBondContact CE-OXT 3.45Å
19G96.9Very high88.7Confident26 Ų2670.1 Ų70.127%0.26840%0.397SS..SBendtrans165.1-179.4-178.400000113.9L21 T151G19-L21 PolarHBondContact O-N 3.03Å; G19-T151 PolarHBondContact N-O 3.11Å
20D97.2Very high91Very high79 Ų7965.5 Ų65.542%0.42237%0.367SS..  trans-72.2120.4175.1179.413.2000110.6F22 A23D20-F22 PolarHBondContact O-N 2.97Å; D20-F22 VanDerWaalsContact O-N 3.14Å; D20-F22 WeakPolarHBondContact OD1-CD2 3.35Å; D20-F22 PolarHBondContact OD1-N 3.42Å; D20-A23 HydrophobicContact CB-CB 4.17Å; D20-A23 WeakPolarHBondContact O-CB 3.39Å; D20-A23 PolarHBondContact O-N 2.92Å
21L98.1Very high93.5Very high5 Ų555.5 Ų55.53%0.02632%0.321CS..G310 helixtrans-50-38.6172.817563.2000112.3G19 A23 C24 L30 I44 F48 P118 Y150G19-L21 PolarHBondContact O-N 3.03Å; L21-A23 PolarHBondContact O-N 2.93Å; L21-C24 VanDerWaalsContact O-CB 3.29Å; L21-C24 WeakPolarHBondContact O-CB 2.88Å; L21-C24 PolarHBondContact O-N 2.94Å; L21-C24 VanDerWaalsContact O-N 3.17Å; L21-C24 PolarHBondContact O-SG 3.27Å; L21-L30 HydrophobicContact CD1-CD2 3.97Å; L21-L30 HydrophobicContact CG-CD2 4.21Å; L21-I44 HydrophobicContact CB-CD1 4.26Å; L21-I44 HydrophobicContact CD2-CD1 3.56Å; L21-F48 HydrophobicContact CD2-CE2 3.9Å; L21-F48 HydrophobicContact CD2-CZ 3.84Å; L21-P118 HydrophobicContact CD2-CB 4.35Å; L21-P118 HydrophobicContact CD2-CG 4.22Å; L21-Y150 HydrophobicContact CB-CG 4.22Å; L21-Y150 HydrophobicContact CD1-CD2 3.6Å; L21-Y150 HydrophobicContact CD1-CE2 4.31Å; L21-Y150 HydrophobicContact CD1-CG 3.98Å
22F97.4Very high95.4Very high25 Ų2551.8 Ų51.811%0.1128%0.281CS..G310 helixtrans-76.5-4.7-176.5-64.9-69.7000113.9D20 L30 I44 L47 F48 K51 F52D20-F22 PolarHBondContact O-N 2.97Å; D20-F22 VanDerWaalsContact O-N 3.14Å; D20-F22 WeakPolarHBondContact OD1-CD2 3.35Å; D20-F22 PolarHBondContact OD1-N 3.42Å; F22-L30 HydrophobicContact CD1-CD1 4.23Å; F22-L30 HydrophobicContact CE1-CD1 4.42Å; F22-I44 HydrophobicContact CE2-CD1 4.05Å; F22-I44 HydrophobicContact CE2-CG1 3.72Å; F22-I44 HydrophobicContact CZ-CD1 4.38Å; F22-I44 HydrophobicContact CZ-CG1 3.97Å; F22-L47 HydrophobicContact CD2-CB 4.36Å; F22-L47 HydrophobicContact CD2-CD1 4.28Å; F22-L47 HydrophobicContact CE2-CB 3.4Å; F22-L47 VanDerWaalsContact CE2-CB 3.4Å; F22-L47 HydrophobicContact CE2-CD1 3.72Å; F22-L47 HydrophobicContact CE2-CG 4.21Å; F22-L47 HydrophobicContact CZ-CB 3.62Å; F22-F48 HydrophobicContact CE1-CD1 4.26Å; F22-F48 AromaticContact CE1-CD2 3.95Å; F22-F48 HydrophobicContact CE1-CD2 3.95Å; F22-F48 HydrophobicContact CE1-CE1 4.18Å; F22-F48 AromaticContact CE1-CE2 3.85Å; F22-F48 HydrophobicContact CE1-CE2 3.85Å; F22-F48 HydrophobicContact CE1-CG 4.14Å; F22-F48 AromaticContact CE1-CZ 3.97Å; F22-F48 HydrophobicContact CE1-CZ 3.97Å; F22-F48 AromaticContact CZ-CD2 3.49Å; F22-F48 HydrophobicContact CZ-CD2 3.49Å; F22-F48 VanDerWaalsContact CZ-CD2 3.49Å; F22-F48 AromaticContact CZ-CE2 3.54Å; F22-F48 HydrophobicContact CZ-CE2 3.54Å; F22-F48 HydrophobicContact CZ-CG 4.03Å; F22-F48 HydrophobicContact CZ-CZ 4.14Å; F22-K51 HydrophobicContact CD1-CD 3.71Å; F22-K51 HydrophobicContact CE1-CD 4.24Å; F22-K51 HydrophobicContact CG-CD 4.27Å; F22-K51 PolarHBondContact O-NZ 2.94Å; F22-F52 HydrophobicContact CD1-CE2 4.36Å; F22-F52 AromaticContact CE1-CE2 3.95Å; F22-F52 HydrophobicContact CE1-CE2 3.95Å
23A97.2Very high96.9Very high78 Ų7850.9 Ų50.965%0.64528%0.275SS*.G310 helixtrans-95.44.3170.800000113.3D20 L21D20-A23 HydrophobicContact CB-CB 4.17Å; D20-A23 WeakPolarHBondContact O-CB 3.39Å; D20-A23 PolarHBondContact O-N 2.92Å; L21-A23 PolarHBondContact O-N 2.93Å
24C97.3Very high97.7Very high9 Ų947.8 Ų47.86%0.06126%0.264CS..SBendtrans-56.1163.3170.878.50000111.8L21 K26 L30 S116 Y150L21-C24 VanDerWaalsContact O-CB 3.29Å; L21-C24 WeakPolarHBondContact O-CB 2.88Å; L21-C24 PolarHBondContact O-N 2.94Å; L21-C24 VanDerWaalsContact O-N 3.17Å; L21-C24 PolarHBondContact O-SG 3.27Å; C24-K26 PolarHBondContact O-N 2.77Å; C24-L30 VanDerWaalsContact SG-CD2 3.58Å; C24-S116 WeakPolarHBondContact CB-OG 3.35Å; C24-Y150 WeakPolarHBondContact CA-OH 3.44Å; C24-Y150 HydrophobicContact CB-CE1 4.4Å; C24-Y150 HydrophobicContact CB-CE2 3.91Å; C24-Y150 WeakPolarHBondContact CB-OH 3.46Å
25P97.7Very high97.8Very high68 Ų6847.8 Ų47.844%0.44226%0.264SS..  trans-51.7140172.6-21.330.5000111.5T27 D28P25-T27 PolarHBondContact O-N 2.89Å; P25-D28 WeakPolarHBondContact CB-OD1 3.46Å; P25-D28 WeakPolarHBondContact O-CB 3.26Å; P25-D28 PolarHBondContact O-N 3.05Å; P25-D28 VanDerWaalsContact O-N 3.13Å
26K96.8Very high97.8Very high182 Ų18246.1 Ų46.179%0.79125%0.251SS*.THydrogen-bonded Turntrans-66.8-19.6-175.2-69.9-174.3178.4179.30113.2C24 R76C24-K26 PolarHBondContact O-N 2.77Å; K26-R76 WeakPolarHBondContact O-CD 3.42Å
27T96.8Very high97.9Very high115 Ų11544.7 Ų44.771%0.70625%0.249SC*.THydrogen-bonded Turntrans-74.1-28.3175.743.80000112.7P25 S29P25-T27 PolarHBondContact O-N 2.89Å; T27-S29 PolarHBondContact O-N 3.29Å
28D98.5Very high97.8Very high11 Ų1142.7 Ų42.76%0.05924%0.237CC..SBendtrans-67.1128.5-176.6-67.524.9000110.4P25 R76 S116P25-D28 WeakPolarHBondContact CB-OD1 3.46Å; P25-D28 WeakPolarHBondContact O-CB 3.26Å; P25-D28 PolarHBondContact O-N 3.05Å; P25-D28 VanDerWaalsContact O-N 3.13Å; D28-R76 WeakPolarHBondContact O-CD 3.43Å; D28-R76 PolarHBondContact O-NH1 3.02Å; D28-S116 PolarHBondContact OD2-OG 3.08Å
29S98.8Very high97.7Very high5 Ų543.3 Ų43.34%0.03523%0.234CC..EExtended strand (participates in β ladder)trans-71.7144.5168.3-67.90000109.6T27 Y77 D114 L115 S116T27-S29 PolarHBondContact O-N 3.29Å; S29-Y77 CarbonylContact C-O 3.55Å; S29-Y77 WeakPolarHBondContact CA-O 3.46Å; S29-Y77 WeakPolarHBondContact CB-O 3.28Å; S29-Y77 PolarHBondContact OG-N 3.16Å; S29-Y77 VanDerWaalsContact OG-N 3.1Å; S29-Y77 PolarHBondContact OG-O 2.81Å; S29-D114 PolarHBondContact N-O 2.91Å; S29-L115 CarbonylContact O-C 3.59Å; S29-L115 WeakPolarHBondContact O-CA 3.45Å; S29-S116 PolarHBondContact O-N 2.85Å
30L98.8Very high97.7Very high0 Ų042.4 Ų42.40%022%0.223CC..EExtended strand (participates in β ladder)trans-105.3147.6-174.6-67.3177.6000111.2L21 F22 C24 F48 F52 Y77 I78 Y79 S116L21-L30 HydrophobicContact CD1-CD2 3.97Å; L21-L30 HydrophobicContact CG-CD2 4.21Å; F22-L30 HydrophobicContact CD1-CD1 4.23Å; F22-L30 HydrophobicContact CE1-CD1 4.42Å; C24-L30 VanDerWaalsContact SG-CD2 3.58Å; L30-F48 HydrophobicContact CB-CE1 3.82Å; L30-F48 HydrophobicContact CB-CZ 4.15Å; L30-F48 HydrophobicContact CD1-CE1 4.18Å; L30-F48 HydrophobicContact CD1-CZ 4.48Å; L30-F52 HydrophobicContact CD1-CE2 3.75Å; L30-F52 HydrophobicContact CD1-CZ 3.57Å; L30-Y77 PolarHBondContact N-O 3.43Å; L30-I78 HydrophobicContact CB-CD1 4.07Å; L30-I78 HydrophobicContact CD1-CD1 4.13Å; L30-I78 HydrophobicContact CG-CD1 4.31Å; L30-Y79 WeakPolarHBondContact O-CB 3.31Å; L30-Y79 PolarHBondContact O-N 3.34Å; L30-S116 VanDerWaalsContact CA-O 3.3Å; L30-S116 WeakPolarHBondContact CA-O 3.34Å; L30-S116 WeakPolarHBondContact CD2-O 3.45Å
31A98.7Very high97.6Very high0 Ų042 Ų420%024%0.237CC..EExtended strand (participates in β ladder)trans-131.8141.7174.400000112.9Y79 L81 M103 S116 M117 P118A31-Y79 WeakPolarHBondContact CA-O 3.32Å; A31-L81 HydrophobicContact CB-CD1 3.9Å; A31-M103 HydrophobicContact CB-CE 4.38Å; A31-M103 HydrophobicContact CB-SD 3.64Å; A31-S116 PolarHBondContact N-O 3.11Å; A31-S116 VanDerWaalsContact N-O 3.11Å; A31-M117 HydrophobicContact CB-CB 4.04Å; A31-M117 HydrophobicContact CB-CE 4.19Å; A31-P118 WeakPolarHBondContact O-CD 3.35Å
32H98.4Very high97.5Very high3 Ų344.3 Ų44.31%0.01426%0.257CS..EExtended strand (participates in β ladder)trans-154.5165.4166.684.4134000111.9I34 F48 Y79 Y80 L81H32-I34 WeakPolarHBondContact CE1-CG2 3.48Å; H32-I34 VanDerWaalsContact NE2-CG2 3.32Å; H32-I34 WeakPolarHBondContact NE2-CG2 3.39Å; H32-F48 HydrophobicContact CB-CD2 4.09Å; H32-F48 HydrophobicContact CB-CE2 3.7Å; H32-F48 HydrophobicContact CB-CZ 3.93Å; H32-F48 AromaticContact CD2-CD1 3.87Å; H32-F48 AromaticContact CD2-CG 3.88Å; H32-F48 AromaticContact CE1-CD2 3.96Å; H32-F48 AromaticContact CE1-CG 3.8Å; H32-F48 AromaticContact CG-CD2 3.68Å; H32-F48 AromaticContact CG-CE2 3.81Å; H32-F48 AromaticContact CG-CG 3.93Å; H32-F48 AromaticContact ND1-CD2 3.59Å; H32-F48 AromaticContact ND1-CG 3.9Å; H32-F48 AromaticContact NE2-CG 3.79Å; H32-Y79 PolarHBondContact N-O 3.23Å; H32-Y80 AromaticContact CD2-CD1 3.77Å; H32-Y80 AromaticContact NE2-CD1 3.05Å; H32-Y80 WeakPolarHBondContact NE2-CD1 3.4Å; H32-Y80 AromaticContact NE2-CE1 3.22Å; H32-Y80 WeakPolarHBondContact NE2-CE1 3.4Å; H32-L81 PolarHBondContact O-N 3.43Å
33C98.3Very high97.3Very high17 Ų1745.6 Ų45.612%0.11528%0.278CS..EExtended strand (participates in β ladder)trans-89.6141.6177.6-58.50000112.6L81 T83C33-L81 CarbonylContact C-O 3.5Å; C33-L81 WeakPolarHBondContact CA-O 3.13Å; C33-T83 HydrophobicContact CB-CG2 4Å
34I98.1Very high97.2Very high7 Ų744.4 Ų44.44%0.03626%0.26CS..EExtended strand (participates in β ladder)trans-139.4177.9169.167.3163.7000111.4H32 M40 Y80 L81 I82 T83H32-I34 WeakPolarHBondContact CE1-CG2 3.48Å; H32-I34 VanDerWaalsContact NE2-CG2 3.32Å; H32-I34 WeakPolarHBondContact NE2-CG2 3.39Å; I34-M40 HydrophobicContact CB-CG 4.43Å; I34-M40 HydrophobicContact CG2-CG 3.68Å; I34-M40 HydrophobicContact CG2-SD 3.84Å; I34-Y80 HydrophobicContact CD1-CD1 3.89Å; I34-Y80 HydrophobicContact CD1-CG 4.23Å; I34-Y80 HydrophobicContact CG1-CD1 4.43Å; I34-Y80 HydrophobicContact CG2-CD1 4.03Å; I34-L81 PolarHBondContact N-O 2.88Å; I34-I82 HydrophobicContact CD1-CD1 3.59Å; I34-I82 HydrophobicContact CG1-CD1 3.45Å; I34-I82 VanDerWaalsContact CG1-CD1 3.45Å; I34-T83 PolarHBondContact O-N 3.43Å; I34-T83 VanDerWaalsContact O-N 3.07Å
35S98.2Very high97.2Very high2 Ų244.6 Ų44.61%0.01426%0.262CS..EExtended strand (participates in β ladder)trans-99.9159.9171.746.40000112.8D37 C38 K84 A87S35-D37 WeakPolarHBondContact CB-OD1 3.49Å; S35-D37 PolarHBondContact O-N 3.4Å; S35-D37 PolarHBondContact OG-OD1 3.14Å; S35-C38 WeakPolarHBondContact O-CA 3.37Å; S35-C38 PolarHBondContact O-N 2.93Å; S35-K84 CarbonylContact C-O 3.59Å; S35-K84 WeakPolarHBondContact CA-O 3.34Å; S35-K84 WeakPolarHBondContact CB-O 3.44Å; S35-A87 WeakPolarHBondContact OG-CA 3.33Å; S35-A87 PolarHBondContact OG-N 2.89Å
36E98.4Very high97.2Very high43 Ų4343.2 Ų43.220%0.20125%0.252CS..THydrogen-bonded Turntrans-53.4-35.9177-64.2179.2-153.800112.9C38 K64 S65 I82 K84E36-C38 PolarHBondContact O-N 2.87Å; E36-K64 WeakPolarHBondContact OE2-CD 3.5Å; E36-K64 IonicContact OE2-NZ 3.88Å; E36-S65 WeakPolarHBondContact OE1-CB 3.47Å; E36-S65 PolarHBondContact OE1-N 2.72Å; E36-S65 PolarHBondContact OE1-OG 3.11Å; E36-I82 HydrophobicContact CB-CG2 4.32Å; E36-I82 HydrophobicContact CG-CG2 3.56Å; E36-K84 PolarHBondContact N-O 2.97Å
37D97.8Very high97.3Very high44 Ų4438.7 Ų38.724%0.23524%0.236CC..THydrogen-bonded Turntrans-75.73177.865.80.6000114.2S35 R39 A87S35-D37 WeakPolarHBondContact CB-OD1 3.49Å; S35-D37 PolarHBondContact O-N 3.4Å; S35-D37 PolarHBondContact OG-OD1 3.14Å; D37-R39 HydrophobicContact CB-CG 4.27Å; D37-R39 PolarHBondContact O-N 3.08Å; D37-R39 PolarHBondContact OD1-N 3.41Å; D37-R39 WeakPolarHBondContact OD2-CD 3.44Å; D37-R39 IonicContact OD2-NE 3.85Å; D37-A87 PolarHBondContact OD1-N 3.18Å; D37-A87 PolarHBondContact OD2-N 3.23Å
38C97.2Very high97.3Very high7 Ų733.2 Ų33.25%0.04720%0.203CC..  trans51.326.5178.2-63.10000114.3S35 E36 M40 V55 L59S35-C38 WeakPolarHBondContact O-CA 3.37Å; S35-C38 PolarHBondContact O-N 2.93Å; E36-C38 PolarHBondContact O-N 2.87Å; C38-M40 VanDerWaalsContact C-N 3.32Å; C38-M40 PolarHBondContact O-N 2.96Å; C38-V55 HydrophobicContact CB-CG1 4.23Å; C38-L59 HydrophobicContact CB-CD2 3.92Å; C38-L59 HydrophobicContact CB-CG 4.11Å
39R96Very high97.3Very high184 Ų18437.3 Ų37.369%0.69422%0.22SC*.  trans-80.177.4-180-72.8-172.8179.8-172.9-1.6111.5D37 G41 A87D37-R39 HydrophobicContact CB-CG 4.27Å; D37-R39 PolarHBondContact O-N 3.08Å; D37-R39 PolarHBondContact OD1-N 3.41Å; D37-R39 WeakPolarHBondContact OD2-CD 3.44Å; D37-R39 IonicContact OD2-NE 3.85Å; R39-G41 VanDerWaalsContact C-N 3.28Å; R39-G41 PolarHBondContact O-N 2.93Å; R39-A87 HydrophobicContact CB-CB 3.69Å
40M96.2Very high97.3Very high7 Ų745 Ų453%0.03425%0.253CS..  trans-81.562.7177.5-64.6-178.3-85.800112.6I34 C38 A45 K49 V55 L58 Y80I34-M40 HydrophobicContact CB-CG 4.43Å; I34-M40 HydrophobicContact CG2-CG 3.68Å; I34-M40 HydrophobicContact CG2-SD 3.84Å; C38-M40 VanDerWaalsContact C-N 3.32Å; C38-M40 PolarHBondContact O-N 2.96Å; M40-A45 HydrophobicContact CB-CB 3.82Å; M40-A45 HydrophobicContact CG-CB 3.97Å; M40-K49 HydrophobicContact CB-CB 4.07Å; M40-K49 HydrophobicContact CB-CD 4.21Å; M40-K49 HydrophobicContact CE-CB 4.02Å; M40-K49 HydrophobicContact CE-CG 4.3Å; M40-K49 HydrophobicContact SD-CB 4.16Å; M40-V55 HydrophobicContact CE-CG2 3.94Å; M40-L58 HydrophobicContact CE-CD1 3.91Å; M40-Y80 HydrophobicContact CE-CE1 4.17Å; M40-Y80 HydrophobicContact SD-CD1 4.15Å; M40-Y80 HydrophobicContact SD-CE1 3.78Å
41G95.2Very high97.3Very high69 Ų6950 Ų5071%0.71127%0.274SS*.  trans-95.2-7.8-17200000116.4R39 V46R39-G41 VanDerWaalsContact C-N 3.28Å; R39-G41 PolarHBondContact O-N 2.93Å; G41-V46 WeakPolarHBondContact O-CG2 3.35Å
42A95Very high97.2Very high55 Ų5550.7 Ų50.746%0.45528%0.277SS..SBendtrans-144.7161.5-176.600000112.7V46 L124A42-V46 VanDerWaalsContact N-CG2 3.32Å; A42-L124 HydrophobicContact CB-CD1 3.62Å
43G94.3Very high97.2Very high52 Ų5251.9 Ų51.954%0.53629%0.291SS..THydrogen-bonded Turntrans58.7-152.317800000113.4A45 V46G43-A45 PolarHBondContact O-N 3.43Å; G43-A45 VanDerWaalsContact O-N 3.17Å; G43-V46 PolarHBondContact O-N 3.22Å
44I95.8Very high97.2Very high53 Ų5352.3 Ų52.327%0.27230%0.298SS..Hα-helixtrans-62.5-24-178.2-159.1169.8000113L21 F22 V46 L47 F48 P118L21-I44 HydrophobicContact CB-CD1 4.26Å; L21-I44 HydrophobicContact CD2-CD1 3.56Å; F22-I44 HydrophobicContact CE2-CD1 4.05Å; F22-I44 HydrophobicContact CE2-CG1 3.72Å; F22-I44 HydrophobicContact CZ-CD1 4.38Å; F22-I44 HydrophobicContact CZ-CG1 3.97Å; I44-V46 PolarHBondContact O-N 2.8Å; I44-L47 HydrophobicContact CG1-CD1 4.47Å; I44-L47 WeakPolarHBondContact O-CA 3.36Å; I44-L47 WeakPolarHBondContact O-CB 3.29Å; I44-L47 PolarHBondContact O-N 3.46Å; I44-F48 HydrophobicContact CD1-CE2 4.09Å; I44-F48 HydrophobicContact CG1-CD2 4.12Å; I44-F48 HydrophobicContact CG1-CE2 3.98Å; I44-F48 HydrophobicContact CG2-CD2 4.49Å; I44-F48 HydrophobicContact CG2-CE2 4.44Å; I44-F48 WeakPolarHBondContact O-CD2 3.48Å; I44-F48 PolarHBondContact O-N 2.94Å; I44-F48 VanDerWaalsContact O-N 3.08Å; I44-P118 HydrophobicContact CD1-CB 4.11Å; I44-P118 HydrophobicContact CD1-CG 4.22Å; I44-P118 HydrophobicContact CG2-CG 4.33Å
45A96.8Very high97.2Very high13 Ų1353.8 Ų53.811%0.10731%0.307CS..Hα-helixtrans-60.3-31.1178.100000112.5M40 G43 L47 F48 K49M40-A45 HydrophobicContact CB-CB 3.82Å; M40-A45 HydrophobicContact CG-CB 3.97Å; G43-A45 PolarHBondContact O-N 3.43Å; G43-A45 VanDerWaalsContact O-N 3.17Å; A45-L47 VanDerWaalsContact C-N 3.28Å; A45-L47 PolarHBondContact O-N 2.75Å; A45-F48 PolarHBondContact O-N 2.94Å; A45-K49 WeakPolarHBondContact O-CB 3.45Å; A45-K49 PolarHBondContact O-N 3.27Å
46V97.7Very high97.2Very high39 Ų3959.5 Ų59.524%0.23633%0.334CS..Hα-helixtrans-61.8-39.7173177.80000110.9G41 A42 G43 I44 K49 K50G41-V46 WeakPolarHBondContact O-CG2 3.35Å; A42-V46 VanDerWaalsContact N-CG2 3.32Å; G43-V46 PolarHBondContact O-N 3.22Å; I44-V46 PolarHBondContact O-N 2.8Å; V46-K49 PolarHBondContact O-N 2.97Å; V46-K50 HydrophobicContact CG1-CD 4.11Å; V46-K50 HydrophobicContact CG1-CG 4.47Å; V46-K50 WeakPolarHBondContact O-CB 3.3Å; V46-K50 VanDerWaalsContact O-CG 3.31Å; V46-K50 WeakPolarHBondContact O-CG 3.36Å; V46-K50 PolarHBondContact O-N 3.14Å
47L97.8Very high97.2Very high86 Ų8661.6 Ų61.645%0.4534%0.344SS..Hα-helixtrans-70.6-42.6179.4-58.9179.2000111.2F22 I44 A45 K49 K50 K51F22-L47 HydrophobicContact CD2-CB 4.36Å; F22-L47 HydrophobicContact CD2-CD1 4.28Å; F22-L47 HydrophobicContact CE2-CB 3.4Å; F22-L47 VanDerWaalsContact CE2-CB 3.4Å; F22-L47 HydrophobicContact CE2-CD1 3.72Å; F22-L47 HydrophobicContact CE2-CG 4.21Å; F22-L47 HydrophobicContact CZ-CB 3.62Å; I44-L47 HydrophobicContact CG1-CD1 4.47Å; I44-L47 WeakPolarHBondContact O-CA 3.36Å; I44-L47 WeakPolarHBondContact O-CB 3.29Å; I44-L47 PolarHBondContact O-N 3.46Å; A45-L47 VanDerWaalsContact C-N 3.28Å; A45-L47 PolarHBondContact O-N 2.75Å; L47-K49 VanDerWaalsContact C-N 3.33Å; L47-K49 PolarHBondContact O-N 3.29Å; L47-K50 PolarHBondContact O-N 2.97Å; L47-K51 VanDerWaalsContact O-CB 3.26Å; L47-K51 WeakPolarHBondContact O-CB 3.17Å; L47-K51 PolarHBondContact O-N 3.43Å
48F98.3Very high97.2Very high0 Ų059.7 Ų59.70%033%0.333CS..Hα-helixtrans-56.6-47171.4-85.6-90.7000111.6L21 F22 L30 H32 I44 A45 K51 F52 I78L21-F48 HydrophobicContact CD2-CE2 3.9Å; L21-F48 HydrophobicContact CD2-CZ 3.84Å; F22-F48 HydrophobicContact CE1-CD1 4.26Å; F22-F48 AromaticContact CE1-CD2 3.95Å; F22-F48 HydrophobicContact CE1-CD2 3.95Å; F22-F48 HydrophobicContact CE1-CE1 4.18Å; F22-F48 AromaticContact CE1-CE2 3.85Å; F22-F48 HydrophobicContact CE1-CE2 3.85Å; F22-F48 HydrophobicContact CE1-CG 4.14Å; F22-F48 AromaticContact CE1-CZ 3.97Å; F22-F48 HydrophobicContact CE1-CZ 3.97Å; F22-F48 AromaticContact CZ-CD2 3.49Å; F22-F48 HydrophobicContact CZ-CD2 3.49Å; F22-F48 VanDerWaalsContact CZ-CD2 3.49Å; F22-F48 AromaticContact CZ-CE2 3.54Å; F22-F48 HydrophobicContact CZ-CE2 3.54Å; F22-F48 HydrophobicContact CZ-CG 4.03Å; F22-F48 HydrophobicContact CZ-CZ 4.14Å; L30-F48 HydrophobicContact CB-CE1 3.82Å; L30-F48 HydrophobicContact CB-CZ 4.15Å; L30-F48 HydrophobicContact CD1-CE1 4.18Å; L30-F48 HydrophobicContact CD1-CZ 4.48Å; H32-F48 HydrophobicContact CB-CD2 4.09Å; H32-F48 HydrophobicContact CB-CE2 3.7Å; H32-F48 HydrophobicContact CB-CZ 3.93Å; H32-F48 AromaticContact CD2-CD1 3.87Å; H32-F48 AromaticContact CD2-CG 3.88Å; H32-F48 AromaticContact CE1-CD2 3.96Å; H32-F48 AromaticContact CE1-CG 3.8Å; H32-F48 AromaticContact CG-CD2 3.68Å; H32-F48 AromaticContact CG-CE2 3.81Å; H32-F48 AromaticContact CG-CG 3.93Å; H32-F48 AromaticContact ND1-CD2 3.59Å; H32-F48 AromaticContact ND1-CG 3.9Å; H32-F48 AromaticContact NE2-CG 3.79Å; I44-F48 HydrophobicContact CD1-CE2 4.09Å; I44-F48 HydrophobicContact CG1-CD2 4.12Å; I44-F48 HydrophobicContact CG1-CE2 3.98Å; I44-F48 HydrophobicContact CG2-CD2 4.49Å; I44-F48 HydrophobicContact CG2-CE2 4.44Å; I44-F48 WeakPolarHBondContact O-CD2 3.48Å; I44-F48 PolarHBondContact O-N 2.94Å; I44-F48 VanDerWaalsContact O-N 3.08Å; A45-F48 PolarHBondContact O-N 2.94Å; F48-K51 PolarHBondContact O-N 3.46Å; F48-F52 AromaticContact CD1-CD2 3.75Å; F48-F52 HydrophobicContact CD1-CD2 3.75Å; F48-F52 AromaticContact CD1-CE2 3.77Å; F48-F52 HydrophobicContact CD1-CE2 3.77Å; F48-F52 HydrophobicContact CE1-CD2 4.42Å; F48-F52 HydrophobicContact CE1-CE2 4.03Å; F48-F52 HydrophobicContact CG-CD2 4.48Å; F48-F52 PolarHBondContact O-N 3.01Å; F48-I78 HydrophobicContact CD1-CG2 3.78Å; F48-I78 HydrophobicContact CE1-CG2 3.85Å
49K98.2Very high97.3Very high97 Ų9762.4 Ų62.442%0.42235%0.347SS..Hα-helixtrans-60.8-45.6177.1179.8175.3172.5175.50112.2M40 A45 V46 L47 G53 V55M40-K49 HydrophobicContact CB-CB 4.07Å; M40-K49 HydrophobicContact CB-CD 4.21Å; M40-K49 HydrophobicContact CE-CB 4.02Å; M40-K49 HydrophobicContact CE-CG 4.3Å; M40-K49 HydrophobicContact SD-CB 4.16Å; A45-K49 WeakPolarHBondContact O-CB 3.45Å; A45-K49 PolarHBondContact O-N 3.27Å; V46-K49 PolarHBondContact O-N 2.97Å; L47-K49 VanDerWaalsContact C-N 3.33Å; L47-K49 PolarHBondContact O-N 3.29Å; K49-G53 VanDerWaalsContact O-CA 3.32Å; K49-G53 WeakPolarHBondContact O-CA 3.31Å; K49-G53 PolarHBondContact O-N 2.84Å; K49-V55 HydrophobicContact CD-CG2 4.08Å; K49-V55 HydrophobicContact CG-CG2 4Å
50K98.2Very high97.4Very high167 Ų16759 Ų5973%0.72634%0.342SS*.Hα-helixtrans-66.2-40.3179-75.5177.7179.5-177.40112.3V46 L47V46-K50 HydrophobicContact CG1-CD 4.11Å; V46-K50 HydrophobicContact CG1-CG 4.47Å; V46-K50 WeakPolarHBondContact O-CB 3.3Å; V46-K50 VanDerWaalsContact O-CG 3.31Å; V46-K50 WeakPolarHBondContact O-CG 3.36Å; V46-K50 PolarHBondContact O-N 3.14Å; L47-K50 PolarHBondContact O-N 2.97Å
51K97.8Very high97.5Very high105 Ų10561.4 Ų61.446%0.45735%0.354SS..Hα-helixtrans-80.8-38.6-173.9-165.5173.9-177.3-177.10113.2F22 L47 F48F22-K51 HydrophobicContact CD1-CD 3.71Å; F22-K51 HydrophobicContact CE1-CD 4.24Å; F22-K51 HydrophobicContact CG-CD 4.27Å; F22-K51 PolarHBondContact O-NZ 2.94Å; L47-K51 VanDerWaalsContact O-CB 3.26Å; L47-K51 WeakPolarHBondContact O-CB 3.17Å; L47-K51 PolarHBondContact O-N 3.43Å; F48-K51 PolarHBondContact O-N 3.46Å
52F97.9Very high97.7Very high14 Ų1465.4 Ų65.46%0.06135%0.354CS..Hα-helixtrans-112.7-12.9-172.1-57.2-60.6000114.7F22 L30 F48 R73 I78F22-F52 HydrophobicContact CD1-CE2 4.36Å; F22-F52 AromaticContact CE1-CE2 3.95Å; F22-F52 HydrophobicContact CE1-CE2 3.95Å; L30-F52 HydrophobicContact CD1-CE2 3.75Å; L30-F52 HydrophobicContact CD1-CZ 3.57Å; F48-F52 AromaticContact CD1-CD2 3.75Å; F48-F52 HydrophobicContact CD1-CD2 3.75Å; F48-F52 AromaticContact CD1-CE2 3.77Å; F48-F52 HydrophobicContact CD1-CE2 3.77Å; F48-F52 HydrophobicContact CE1-CD2 4.42Å; F48-F52 HydrophobicContact CE1-CE2 4.03Å; F48-F52 HydrophobicContact CG-CD2 4.48Å; F48-F52 PolarHBondContact O-N 3.01Å; F52-R73 HydrophobicContact CB-CG 4.43Å; F52-R73 HydrophobicContact CD1-CB 4.17Å; F52-R73 HydrophobicContact CD1-CG 4.09Å; F52-R73 PolarHBondContact O-NE 3.36Å; F52-I78 HydrophobicContact CD1-CD1 4.14Å; F52-I78 HydrophobicContact CD1-CG1 4.11Å; F52-I78 HydrophobicContact CD2-CD1 4.29Å; F52-I78 HydrophobicContact CD2-CG1 4.25Å; F52-I78 HydrophobicContact CD2-CG2 3.93Å; F52-I78 HydrophobicContact CE1-CD1 3.78Å; F52-I78 HydrophobicContact CE1-CG1 4.27Å; F52-I78 HydrophobicContact CE2-CD1 3.93Å; F52-I78 HydrophobicContact CE2-CG1 4.39Å; F52-I78 HydrophobicContact CE2-CG2 4.21Å; F52-I78 HydrophobicContact CG-CD1 4.39Å; F52-I78 HydrophobicContact CG-CG1 4.1Å; F52-I78 HydrophobicContact CG-CG2 4.44Å; F52-I78 HydrophobicContact CZ-CD1 3.67Å; F52-I78 HydrophobicContact CZ-CG1 4.41Å
53G97.9Very high97.9Very high29 Ų2966 Ų6630%0.29935%0.346SS..  trans59.2-135.9179.100000112.4K49 V55K49-G53 VanDerWaalsContact O-CA 3.32Å; K49-G53 WeakPolarHBondContact O-CA 3.31Å; K49-G53 PolarHBondContact O-N 2.84Å; G53-V55 VanDerWaalsContact C-N 3.34Å; G53-V55 PolarHBondContact O-N 2.83Å
54G97.9Very high98.1Very high25 Ų2569 Ų6926%0.25834%0.344SS..  trans71.915.7167.300000116.4Q56 E57 L58G54-Q56 VanDerWaalsContact C-N 3.33Å; G54-Q56 PolarHBondContact O-N 3.28Å; G54-E57 WeakPolarHBondContact O-CA 3.48Å; G54-E57 WeakPolarHBondContact O-CB 3.46Å; G54-E57 PolarHBondContact O-N 3.16Å; G54-L58 WeakPolarHBondContact O-CG 3.36Å; G54-L58 PolarHBondContact O-N 3.38Å
55V98.3Very high98.2Very high39 Ų3967.9 Ų67.924%0.23634%0.341CS..Hα-helixtrans-56.7-43.7-177.21790000112.6C38 M40 K49 G53 E57 L58 L59C38-V55 HydrophobicContact CB-CG1 4.23Å; M40-V55 HydrophobicContact CE-CG2 3.94Å; K49-V55 HydrophobicContact CD-CG2 4.08Å; K49-V55 HydrophobicContact CG-CG2 4Å; G53-V55 VanDerWaalsContact C-N 3.34Å; G53-V55 PolarHBondContact O-N 2.83Å; V55-E57 VanDerWaalsContact C-N 3.35Å; V55-L58 PolarHBondContact O-N 2.84Å; V55-L59 HydrophobicContact CG1-CD1 4.11Å; V55-L59 WeakPolarHBondContact O-CG 3.47Å; V55-L59 PolarHBondContact O-N 3.38Å
56Q98.5Very high98.3Very high122 Ų12267.7 Ų67.757%0.5734%0.341SS*.Hα-helixtrans-67.9-36.1177.3-169.460.35000112.1G54 L58 L59 N60G54-Q56 VanDerWaalsContact C-N 3.33Å; G54-Q56 PolarHBondContact O-N 3.28Å; Q56-L58 VanDerWaalsContact C-N 3.35Å; Q56-L59 PolarHBondContact O-N 3.09Å; Q56-N60 PolarHBondContact NE2-OD1 3.38Å; Q56-N60 WeakPolarHBondContact O-CB 3.46Å; Q56-N60 PolarHBondContact O-N 3.4Å; Q56-N60 PolarHBondContact O-ND2 3.16Å; Q56-N60 PolarHBondContact O-OD1 2.95Å
57E98.7Very high98.3Very high87 Ų8769 Ų6941%0.40734%0.344SS..Hα-helixtrans-62.6-42.6175.4-171.5-178.9168.200110.9G54 V55 N60 Q61 L71 R73G54-E57 WeakPolarHBondContact O-CA 3.48Å; G54-E57 WeakPolarHBondContact O-CB 3.46Å; G54-E57 PolarHBondContact O-N 3.16Å; V55-E57 VanDerWaalsContact C-N 3.35Å; E57-N60 PolarHBondContact O-N 3Å; E57-Q61 WeakPolarHBondContact O-CG 3.44Å; E57-Q61 PolarHBondContact O-N 3.31Å; E57-L71 HydrophobicContact CB-CD2 4.04Å; E57-L71 HydrophobicContact CG-CD2 3.72Å; E57-L71 WeakPolarHBondContact OE1-CD2 3.35Å; E57-L71 WeakPolarHBondContact OE2-CD2 3.42Å; E57-R73 IonicContact OE1-NH1 3.85Å; E57-R73 IonicContact OE2-CZ 3.62Å; E57-R73 IonicContact OE2-NH1 3.51Å; E57-R73 IonicContact OE2-NH2 2.77Å; E57-R73 PolarHBondContact OE2-NH2 2.93Å
58L98.7Very high98.4Very high3 Ų365.5 Ų65.52%0.01633%0.327CS..Hα-helixtrans-63.1-46.3174-67170.1000112M40 G54 V55 Q56 N60 Q61 A69 L71 Y80M40-L58 HydrophobicContact CE-CD1 3.91Å; G54-L58 WeakPolarHBondContact O-CG 3.36Å; G54-L58 PolarHBondContact O-N 3.38Å; V55-L58 PolarHBondContact O-N 2.84Å; Q56-L58 VanDerWaalsContact C-N 3.35Å; L58-N60 VanDerWaalsContact C-N 3.28Å; L58-N60 PolarHBondContact O-N 3.14Å; L58-Q61 WeakPolarHBondContact O-CB 3.15Å; L58-Q61 PolarHBondContact O-N 3.39Å; L58-Q61 VanDerWaalsContact O-N 3.14Å; L58-A69 HydrophobicContact CD2-CB 3.71Å; L58-L71 HydrophobicContact CD1-CD1 4.35Å; L58-L71 HydrophobicContact CD2-CD1 4.27Å; L58-L71 HydrophobicContact CD2-CD2 3.93Å; L58-L71 HydrophobicContact CD2-CG 3.81Å; L58-L71 HydrophobicContact CG-CD1 4.21Å; L58-L71 HydrophobicContact CG-CD2 4.14Å; L58-L71 HydrophobicContact CG-CG 4.21Å; L58-Y80 HydrophobicContact CD1-CD1 3.78Å; L58-Y80 HydrophobicContact CD1-CD2 4.29Å; L58-Y80 HydrophobicContact CD1-CE1 3.67Å; L58-Y80 HydrophobicContact CD1-CE2 4.19Å; L58-Y80 HydrophobicContact CD1-CG 4.1Å; L58-Y80 HydrophobicContact CD2-CD1 4.33Å; L58-Y80 HydrophobicContact CD2-CD2 3.53Å; L58-Y80 HydrophobicContact CD2-CE2 3.9Å; L58-Y80 HydrophobicContact CD2-CG 3.79Å
59L98.4Very high98.4Very high65 Ų6565.5 Ų65.534%0.3433%0.327SS..Hα-helixtrans-61.6-37.7177.4-72.8168.9000112C38 V55 Q56 Q61 Q62C38-L59 HydrophobicContact CB-CD2 3.92Å; C38-L59 HydrophobicContact CB-CG 4.11Å; V55-L59 HydrophobicContact CG1-CD1 4.11Å; V55-L59 WeakPolarHBondContact O-CG 3.47Å; V55-L59 PolarHBondContact O-N 3.38Å; Q56-L59 PolarHBondContact O-N 3.09Å; L59-Q61 PolarHBondContact O-N 3.05Å; L59-Q62 PolarHBondContact O-N 3.33Å
60N98.6Very high98.4Very high111 Ų11162 Ų6259%0.59431%0.313SS*.Hα-helixtrans-68.4-19.9178.1-69.4-6.7000113.2Q56 E57 L58 Q62Q56-N60 PolarHBondContact NE2-OD1 3.38Å; Q56-N60 WeakPolarHBondContact O-CB 3.46Å; Q56-N60 PolarHBondContact O-N 3.4Å; Q56-N60 PolarHBondContact O-ND2 3.16Å; Q56-N60 PolarHBondContact O-OD1 2.95Å; E57-N60 PolarHBondContact O-N 3Å; L58-N60 VanDerWaalsContact C-N 3.28Å; L58-N60 PolarHBondContact O-N 3.14Å; N60-Q62 PolarHBondContact O-N 2.77Å
61Q98.6Very high98.4Very high59 Ų5954 Ų5428%0.27628%0.279SS..THydrogen-bonded Turntrans-74.1-14.2172-64.6173.843.800112.6E57 L58 L59 K63 A69 V70E57-Q61 WeakPolarHBondContact O-CG 3.44Å; E57-Q61 PolarHBondContact O-N 3.31Å; L58-Q61 WeakPolarHBondContact O-CB 3.15Å; L58-Q61 PolarHBondContact O-N 3.39Å; L58-Q61 VanDerWaalsContact O-N 3.14Å; L59-Q61 PolarHBondContact O-N 3.05Å; Q61-K63 HydrophobicContact CB-CG 3.95Å; Q61-K63 PolarHBondContact O-N 2.95Å; Q61-A69 VanDerWaalsContact OE1-CA 3.27Å; Q61-V70 PolarHBondContact NE2-O 2.86Å
62Q98.2Very high98.5Very high153 Ų15354.9 Ų54.972%0.71528%0.282SS*.THydrogen-bonded Turntrans54.128.2174.6-59.3-176.1-49.500115.1L59 N60L59-Q62 PolarHBondContact O-N 3.33Å; N60-Q62 PolarHBondContact O-N 2.77Å
63K98.6Very high98.5Very high67 Ų6757.1 Ų57.129%0.29129%0.291SS..  trans-65.2142-176.9-64.3-53.4-163.9176.80113.1Q61 E67 V68 A69 I82Q61-K63 HydrophobicContact CB-CG 3.95Å; Q61-K63 PolarHBondContact O-N 2.95Å; K63-E67 WeakPolarHBondContact CA-OE2 3.42Å; K63-E67 HydrophobicContact CB-CB 4.24Å; K63-E67 HydrophobicContact CD-CB 4.04Å; K63-E67 WeakPolarHBondContact CD-OE1 3.43Å; K63-E67 IonicContact NZ-OE1 2.89Å; K63-E67 PolarHBondContact NZ-OE1 2.89Å; K63-V68 WeakPolarHBondContact CE-O 3.05Å; K63-A69 HydrophobicContact CB-CB 4.26Å; K63-A69 HydrophobicContact CG-CB 3.82Å; K63-I82 HydrophobicContact CB-CD1 4.43Å; K63-I82 HydrophobicContact CB-CG1 3.72Å
64K98.6Very high98.3Very high114 Ų11462.8 Ų62.850%0.49631%0.314SS..  trans-106.9164.3-178.5-57.5-54.8178.3-169.10111.8E36 G66 E67 I82E36-K64 WeakPolarHBondContact OE2-CD 3.5Å; E36-K64 IonicContact OE2-NZ 3.88Å; K64-G66 PolarHBondContact O-N 2.84Å; K64-E67 PolarHBondContact N-OE2 2.93Å; K64-E67 WeakPolarHBondContact O-CB 3.3Å; K64-E67 PolarHBondContact O-N 2.81Å; K64-I82 WeakPolarHBondContact O-CB 3.41Å; K64-I82 WeakPolarHBondContact O-CG2 3.2Å
65S98.3Very high98.2Very high30 Ų3065 Ų6521%0.2134%0.336CS..THydrogen-bonded Turntrans-52.6128.2173.8-570000110.6E36 I82 K84 K85E36-S65 WeakPolarHBondContact OE1-CB 3.47Å; E36-S65 PolarHBondContact OE1-N 2.72Å; E36-S65 PolarHBondContact OE1-OG 3.11Å; S65-I82 CarbonylContact C-O 3.5Å; S65-I82 WeakPolarHBondContact CA-O 3.44Å; S65-K84 WeakPolarHBondContact OG-CA 3.36Å; S65-K85 PolarHBondContact OG-N 3.39Å
66G98.5Very high98.2Very high10 Ų1063.8 Ų63.810%0.10333%0.328CS..THydrogen-bonded Turntrans94.5-6.3-172.200000114.8K64 I82 N95 K98 S99K64-G66 PolarHBondContact O-N 2.84Å; G66-I82 PolarHBondContact N-O 3.2Å; G66-N95 WeakPolarHBondContact CA-O 3.26Å; G66-K98 CarbonylContact O-C 3.57Å; G66-K98 WeakPolarHBondContact O-CB 3.22Å; G66-K98 VanDerWaalsContact O-O 3.13Å; G66-S99 WeakPolarHBondContact O-CA 3.46Å; G66-S99 PolarHBondContact O-N 3.14Å; G66-S99 VanDerWaalsContact O-N 3.1Å
67E98.8Very high98.2Very high66 Ų6659.5 Ų59.531%0.30831%0.306SS..  trans-102.1177.6174.4-60.3-172.189.900112.4K63 K64 I82 S99K63-E67 WeakPolarHBondContact CA-OE2 3.42Å; K63-E67 HydrophobicContact CB-CB 4.24Å; K63-E67 HydrophobicContact CD-CB 4.04Å; K63-E67 WeakPolarHBondContact CD-OE1 3.43Å; K63-E67 IonicContact NZ-OE1 2.89Å; K63-E67 PolarHBondContact NZ-OE1 2.89Å; K64-E67 PolarHBondContact N-OE2 2.93Å; K64-E67 WeakPolarHBondContact O-CB 3.3Å; K64-E67 PolarHBondContact O-N 2.81Å; E67-I82 WeakPolarHBondContact O-CB 3.4Å; E67-I82 PolarHBondContact O-N 2.93Å; E67-S99 WeakPolarHBondContact O-CB 3.39Å
68V98.9Very high98.2Very high12 Ų1255.3 Ų55.37%0.07329%0.287CS..EExtended strand (participates in β ladder)trans-121.7132171.470.40000110K63 V70 Y79 A102 M103K63-V68 WeakPolarHBondContact CE-O 3.05Å; V68-V70 HydrophobicContact CG1-CG2 4.25Å; V68-V70 HydrophobicContact CG2-CG2 4.37Å; V68-Y79 HydrophobicContact CG2-CD1 3.87Å; V68-Y79 HydrophobicContact CG2-CG 4.46Å; V68-A102 HydrophobicContact CB-CB 4.22Å; V68-A102 HydrophobicContact CG1-CB 3.84Å; V68-M103 HydrophobicContact CG2-CB 4.23Å
69A98.8Very high98.2Very high1 Ų155.2 Ų55.21%0.00829%0.286CS..EExtended strand (participates in β ladder)trans-95.8146.3164.500000109.4L58 Q61 K63 Y80 I82L58-A69 HydrophobicContact CD2-CB 3.71Å; Q61-A69 VanDerWaalsContact OE1-CA 3.27Å; K63-A69 HydrophobicContact CB-CB 4.26Å; K63-A69 HydrophobicContact CG-CB 3.82Å; A69-Y80 PolarHBondContact N-O 2.87Å; A69-Y80 WeakPolarHBondContact O-CB 3.48Å; A69-Y80 PolarHBondContact O-N 2.81Å; A69-I82 HydrophobicContact CB-CD1 4.11Å
70V98.8Very high98.3Very high23 Ų2352.1 Ų52.114%0.13927%0.27CS..EExtended strand (participates in β ladder)trans-131.9132.4-170.9-171.90000110.2Q61 V68 Y77 I78 Y79Q61-V70 PolarHBondContact NE2-O 2.86Å; V68-V70 HydrophobicContact CG1-CG2 4.25Å; V68-V70 HydrophobicContact CG2-CG2 4.37Å; V70-Y77 HydrophobicContact CG1-CD1 3.57Å; V70-Y77 HydrophobicContact CG1-CE1 4.45Å; V70-Y77 HydrophobicContact CG1-CG 4.27Å; V70-I78 WeakPolarHBondContact CA-O 3.33Å; V70-Y79 HydrophobicContact CG1-CD1 4.29Å; V70-Y79 HydrophobicContact CG1-CE1 4.09Å; V70-Y79 HydrophobicContact CG2-CD1 3.81Å; V70-Y79 HydrophobicContact CG2-CE1 3.9Å
71L98.7Very high98.3Very high0 Ų046.8 Ų46.80%024%0.242CC..EExtended strand (participates in β ladder)trans-112.6142.3163.6-59.9-179.4000109.1E57 L58 R73 Y77 I78 Y80E57-L71 HydrophobicContact CB-CD2 4.04Å; E57-L71 HydrophobicContact CG-CD2 3.72Å; E57-L71 WeakPolarHBondContact OE1-CD2 3.35Å; E57-L71 WeakPolarHBondContact OE2-CD2 3.42Å; L58-L71 HydrophobicContact CD1-CD1 4.35Å; L58-L71 HydrophobicContact CD2-CD1 4.27Å; L58-L71 HydrophobicContact CD2-CD2 3.93Å; L58-L71 HydrophobicContact CD2-CG 3.81Å; L58-L71 HydrophobicContact CG-CD1 4.21Å; L58-L71 HydrophobicContact CG-CD2 4.14Å; L58-L71 HydrophobicContact CG-CG 4.21Å; L71-R73 HydrophobicContact CB-CG 4.47Å; L71-Y77 CarbonylContact O-C 3.51Å; L71-Y77 WeakPolarHBondContact O-CA 3.13Å; L71-I78 HydrophobicContact CB-CB 4.37Å; L71-I78 PolarHBondContact N-O 2.85Å; L71-I78 PolarHBondContact O-N 3.05Å; L71-Y80 HydrophobicContact CB-CE2 4.13Å; L71-Y80 HydrophobicContact CD1-CE2 3.65Å; L71-Y80 WeakPolarHBondContact CD1-OH 3.47Å; L71-Y80 HydrophobicContact CG-CD2 4.37Å; L71-Y80 HydrophobicContact CG-CE2 3.66Å
72K98.4Very high98.3Very high122 Ų12244.1 Ų44.153%0.5323%0.229SC..EExtended strand (participates in β ladder)trans-99124167.2-167.3171.5-175168.80109R76 Y77K72-R76 WeakPolarHBondContact CA-O 3.35Å; K72-Y77 HydrophobicContact CB-CD1 4.34Å; K72-Y77 HydrophobicContact CB-CE1 4.33Å; K72-Y77 HydrophobicContact CD-CE1 4.11Å; K72-Y77 HydrophobicContact CG-CD1 4.43Å; K72-Y77 HydrophobicContact CG-CE1 4.25Å
73R97.8Very high98.3Very high62 Ų6236.9 Ų36.923%0.23420%0.196CC..EExtended strand (participates in β ladder)trans-141.8131.6-179.9-62.1-64.9-179.6-97.54.9108.7F52 E57 L71 G75 R76 I78F52-R73 HydrophobicContact CB-CG 4.43Å; F52-R73 HydrophobicContact CD1-CB 4.17Å; F52-R73 HydrophobicContact CD1-CG 4.09Å; F52-R73 PolarHBondContact O-NE 3.36Å; E57-R73 IonicContact OE1-NH1 3.85Å; E57-R73 IonicContact OE2-CZ 3.62Å; E57-R73 IonicContact OE2-NH1 3.51Å; E57-R73 IonicContact OE2-NH2 2.77Å; E57-R73 PolarHBondContact OE2-NH2 2.93Å; L71-R73 HydrophobicContact CB-CG 4.47Å; R73-G75 VanDerWaalsContact C-N 3.26Å; R73-G75 PolarHBondContact O-N 3.18Å; R73-G75 VanDerWaalsContact O-N 3.13Å; R73-R76 PolarHBondContact N-O 3.17Å; R73-R76 WeakPolarHBondContact O-CG 3.39Å; R73-R76 PolarHBondContact O-N 2.81Å; R73-R76 VanDerWaalsContact O-O 3.09Å; R73-I78 HydrophobicContact CB-CG1 4.3Å; R73-I78 HydrophobicContact CG-CG1 4.26Å
74D94.3Very high98.2Very high147 Ų14734.8 Ų34.879%0.78619%0.186SC*.THydrogen-bonded Turntrans50.540.9173.3-49-38.1000114.6R76D74-R76 VanDerWaalsContact C-N 3.28Å; D74-R76 PolarHBondContact O-N 3.29Å
75G96.1Very high98.2Very high71 Ų7135.4 Ų35.473%0.73219%0.189SC*.THydrogen-bonded Turntrans80.7-2.8178.100000115.7R73R73-G75 VanDerWaalsContact C-N 3.26Å; R73-G75 PolarHBondContact O-N 3.18Å; R73-G75 VanDerWaalsContact O-N 3.13Å
76R98.1Very high98.1Very high14 Ų1440.9 Ų40.95%0.05321%0.205CC..EExtended strand (participates in β ladder)trans-120.1171176.861.4166.1172.6-167.4-1.8112.9K26 D28 K72 R73 D74 I78K26-R76 WeakPolarHBondContact O-CD 3.42Å; D28-R76 WeakPolarHBondContact O-CD 3.43Å; D28-R76 PolarHBondContact O-NH1 3.02Å; K72-R76 WeakPolarHBondContact CA-O 3.35Å; R73-R76 PolarHBondContact N-O 3.17Å; R73-R76 WeakPolarHBondContact O-CG 3.39Å; R73-R76 PolarHBondContact O-N 2.81Å; R73-R76 VanDerWaalsContact O-O 3.09Å; D74-R76 VanDerWaalsContact C-N 3.28Å; D74-R76 PolarHBondContact O-N 3.29Å; R76-I78 HydrophobicContact CG-CD1 4.38Å
77Y98.8Very high98Very high32 Ų3242.2 Ų42.213%0.12522%0.215CC..EExtended strand (participates in β ladder)trans-102.1143175.3-62.9-82.7000111.3S29 L30 V70 L71 K72 H106 N110 V112S29-Y77 CarbonylContact C-O 3.55Å; S29-Y77 WeakPolarHBondContact CA-O 3.46Å; S29-Y77 WeakPolarHBondContact CB-O 3.28Å; S29-Y77 PolarHBondContact OG-N 3.16Å; S29-Y77 VanDerWaalsContact OG-N 3.1Å; S29-Y77 PolarHBondContact OG-O 2.81Å; L30-Y77 PolarHBondContact N-O 3.43Å; V70-Y77 HydrophobicContact CG1-CD1 3.57Å; V70-Y77 HydrophobicContact CG1-CE1 4.45Å; V70-Y77 HydrophobicContact CG1-CG 4.27Å; L71-Y77 CarbonylContact O-C 3.51Å; L71-Y77 WeakPolarHBondContact O-CA 3.13Å; K72-Y77 HydrophobicContact CB-CD1 4.34Å; K72-Y77 HydrophobicContact CB-CE1 4.33Å; K72-Y77 HydrophobicContact CD-CE1 4.11Å; K72-Y77 HydrophobicContact CG-CD1 4.43Å; K72-Y77 HydrophobicContact CG-CE1 4.25Å; Y77-H106 AromaticContact CD1-CE1 3.61Å; Y77-H106 AromaticContact CE1-CE1 3.57Å; Y77-N110 HydrophobicContact CE2-CB 3.81Å; Y77-N110 PolarHBondContact OH-OD1 2.94Å; Y77-V112 HydrophobicContact CD2-CG2 3.41Å; Y77-V112 VanDerWaalsContact CD2-CG2 3.41Å; Y77-V112 HydrophobicContact CE2-CG2 3.86Å; Y77-V112 HydrophobicContact CG-CG2 4.4Å
78I98.8Very high97.9Very high0 Ų043.9 Ų43.90%023%0.234CC..EExtended strand (participates in β ladder)trans-114.8112.5172.6-44.5-60.7000106.7L30 F48 F52 V70 L71 R73 R76 Y80L30-I78 HydrophobicContact CB-CD1 4.07Å; L30-I78 HydrophobicContact CD1-CD1 4.13Å; L30-I78 HydrophobicContact CG-CD1 4.31Å; F48-I78 HydrophobicContact CD1-CG2 3.78Å; F48-I78 HydrophobicContact CE1-CG2 3.85Å; F52-I78 HydrophobicContact CD1-CD1 4.14Å; F52-I78 HydrophobicContact CD1-CG1 4.11Å; F52-I78 HydrophobicContact CD2-CD1 4.29Å; F52-I78 HydrophobicContact CD2-CG1 4.25Å; F52-I78 HydrophobicContact CD2-CG2 3.93Å; F52-I78 HydrophobicContact CE1-CD1 3.78Å; F52-I78 HydrophobicContact CE1-CG1 4.27Å; F52-I78 HydrophobicContact CE2-CD1 3.93Å; F52-I78 HydrophobicContact CE2-CG1 4.39Å; F52-I78 HydrophobicContact CE2-CG2 4.21Å; F52-I78 HydrophobicContact CG-CD1 4.39Å; F52-I78 HydrophobicContact CG-CG1 4.1Å; F52-I78 HydrophobicContact CG-CG2 4.44Å; F52-I78 HydrophobicContact CZ-CD1 3.67Å; F52-I78 HydrophobicContact CZ-CG1 4.41Å; V70-I78 WeakPolarHBondContact CA-O 3.33Å; L71-I78 HydrophobicContact CB-CB 4.37Å; L71-I78 PolarHBondContact N-O 2.85Å; L71-I78 PolarHBondContact O-N 3.05Å; R73-I78 HydrophobicContact CB-CG1 4.3Å; R73-I78 HydrophobicContact CG-CG1 4.26Å; R76-I78 HydrophobicContact CG-CD1 4.38Å; I78-Y80 HydrophobicContact CB-CE2 3.85Å; I78-Y80 HydrophobicContact CG2-CD2 4.29Å; I78-Y80 HydrophobicContact CG2-CE2 3.48Å; I78-Y80 VanDerWaalsContact CG2-CE2 3.48Å; I78-Y80 VanDerWaalsContact O-CD2 3.3Å; I78-Y80 WeakPolarHBondContact O-CD2 3.27Å; I78-Y80 WeakPolarHBondContact O-CE2 3.43Å
79Y98.9Very high97.8Very high0 Ų047.2 Ų47.20%025%0.249CC..EExtended strand (participates in β ladder)trans-95.2121.6-175.5-64.9-70.5000111L30 A31 H32 V68 V70 M103 H106 C107 V112 L115L30-Y79 WeakPolarHBondContact O-CB 3.31Å; L30-Y79 PolarHBondContact O-N 3.34Å; A31-Y79 WeakPolarHBondContact CA-O 3.32Å; H32-Y79 PolarHBondContact N-O 3.23Å; V68-Y79 HydrophobicContact CG2-CD1 3.87Å; V68-Y79 HydrophobicContact CG2-CG 4.46Å; V70-Y79 HydrophobicContact CG1-CD1 4.29Å; V70-Y79 HydrophobicContact CG1-CE1 4.09Å; V70-Y79 HydrophobicContact CG2-CD1 3.81Å; V70-Y79 HydrophobicContact CG2-CE1 3.9Å; Y79-M103 HydrophobicContact CD1-CG 3.81Å; Y79-M103 HydrophobicContact CD1-SD 4.46Å; Y79-M103 HydrophobicContact CD2-CG 3.99Å; Y79-M103 HydrophobicContact CD2-SD 3.93Å; Y79-M103 HydrophobicContact CE1-CG 4.18Å; Y79-M103 HydrophobicContact CE2-CG 4.33Å; Y79-M103 HydrophobicContact CG-CG 3.71Å; Y79-M103 HydrophobicContact CG-SD 3.78Å; Y79-H106 HydrophobicContact CE1-CB 4.07Å; Y79-H106 AromaticContact CE1-CG 3.83Å; Y79-H106 AromaticContact CE1-ND1 3.35Å; Y79-H106 VanDerWaalsContact CE1-ND1 3.35Å; Y79-H106 WeakPolarHBondContact CE1-ND1 3.41Å; Y79-H106 AromaticContact CZ-ND1 3.6Å; Y79-H106 PolarHBondContact OH-ND1 3.31Å; Y79-C107 VanDerWaalsContact CZ-SG 3.56Å; Y79-C107 PolarHBondContact OH-SG 3.02Å; Y79-V112 HydrophobicContact CE2-CG1 4.5Å; Y79-V112 WeakPolarHBondContact OH-CG2 3.13Å; Y79-L115 HydrophobicContact CD2-CD2 3.82Å; Y79-L115 HydrophobicContact CE2-CD2 3.69Å
80Y98.8Very high97.6Very high0 Ų052.3 Ų52.30%027%0.271CS..EExtended strand (participates in β ladder)trans-108.892.6178-64.8-97.9000107.6H32 I34 M40 L58 A69 L71 I78 I82H32-Y80 AromaticContact CD2-CD1 3.77Å; H32-Y80 AromaticContact NE2-CD1 3.05Å; H32-Y80 WeakPolarHBondContact NE2-CD1 3.4Å; H32-Y80 AromaticContact NE2-CE1 3.22Å; H32-Y80 WeakPolarHBondContact NE2-CE1 3.4Å; I34-Y80 HydrophobicContact CD1-CD1 3.89Å; I34-Y80 HydrophobicContact CD1-CG 4.23Å; I34-Y80 HydrophobicContact CG1-CD1 4.43Å; I34-Y80 HydrophobicContact CG2-CD1 4.03Å; M40-Y80 HydrophobicContact CE-CE1 4.17Å; M40-Y80 HydrophobicContact SD-CD1 4.15Å; M40-Y80 HydrophobicContact SD-CE1 3.78Å; L58-Y80 HydrophobicContact CD1-CD1 3.78Å; L58-Y80 HydrophobicContact CD1-CD2 4.29Å; L58-Y80 HydrophobicContact CD1-CE1 3.67Å; L58-Y80 HydrophobicContact CD1-CE2 4.19Å; L58-Y80 HydrophobicContact CD1-CG 4.1Å; L58-Y80 HydrophobicContact CD2-CD1 4.33Å; L58-Y80 HydrophobicContact CD2-CD2 3.53Å; L58-Y80 HydrophobicContact CD2-CE2 3.9Å; L58-Y80 HydrophobicContact CD2-CG 3.79Å; A69-Y80 PolarHBondContact N-O 2.87Å; A69-Y80 WeakPolarHBondContact O-CB 3.48Å; A69-Y80 PolarHBondContact O-N 2.81Å; L71-Y80 HydrophobicContact CB-CE2 4.13Å; L71-Y80 HydrophobicContact CD1-CE2 3.65Å; L71-Y80 WeakPolarHBondContact CD1-OH 3.47Å; L71-Y80 HydrophobicContact CG-CD2 4.37Å; L71-Y80 HydrophobicContact CG-CE2 3.66Å; I78-Y80 HydrophobicContact CB-CE2 3.85Å; I78-Y80 HydrophobicContact CG2-CD2 4.29Å; I78-Y80 HydrophobicContact CG2-CE2 3.48Å; I78-Y80 VanDerWaalsContact CG2-CE2 3.48Å; I78-Y80 VanDerWaalsContact O-CD2 3.3Å; I78-Y80 WeakPolarHBondContact O-CD2 3.27Å; I78-Y80 WeakPolarHBondContact O-CE2 3.43Å; Y80-I82 WeakPolarHBondContact O-CD1 3.29Å; Y80-I82 PolarHBondContact O-N 2.87Å
81L98.8Very high97.5Very high0 Ų051.7 Ų51.70%027%0.267CS..EExtended strand (participates in β ladder)trans-71.1115.5-179.2-74.670.9000108.2A31 H32 C33 I34 T83 L96 L100 M103 I120A31-L81 HydrophobicContact CB-CD1 3.9Å; H32-L81 PolarHBondContact O-N 3.43Å; C33-L81 CarbonylContact C-O 3.5Å; C33-L81 WeakPolarHBondContact CA-O 3.13Å; I34-L81 PolarHBondContact N-O 2.88Å; L81-T83 HydrophobicContact CB-CG2 4.11Å; L81-T83 PolarHBondContact O-N 3.27Å; L81-L96 HydrophobicContact CD2-CD1 4.22Å; L81-L100 HydrophobicContact CD2-CD2 3.66Å; L81-L100 HydrophobicContact CD2-CG 3.98Å; L81-M103 HydrophobicContact CD1-SD 3.8Å; L81-I120 HydrophobicContact CD2-CD1 4.06Å
82I98.6Very high97.4Very high2 Ų254.8 Ų54.81%0.0129%0.286CS..EExtended strand (participates in β ladder)trans-86.197.7-177.7-47.5-54.3000107.8I34 E36 K63 K64 S65 G66 E67 A69 Y80I34-I82 HydrophobicContact CD1-CD1 3.59Å; I34-I82 HydrophobicContact CG1-CD1 3.45Å; I34-I82 VanDerWaalsContact CG1-CD1 3.45Å; E36-I82 HydrophobicContact CB-CG2 4.32Å; E36-I82 HydrophobicContact CG-CG2 3.56Å; K63-I82 HydrophobicContact CB-CD1 4.43Å; K63-I82 HydrophobicContact CB-CG1 3.72Å; K64-I82 WeakPolarHBondContact O-CB 3.41Å; K64-I82 WeakPolarHBondContact O-CG2 3.2Å; S65-I82 CarbonylContact C-O 3.5Å; S65-I82 WeakPolarHBondContact CA-O 3.44Å; G66-I82 PolarHBondContact N-O 3.2Å; E67-I82 WeakPolarHBondContact O-CB 3.4Å; E67-I82 PolarHBondContact O-N 2.93Å; A69-I82 HydrophobicContact CB-CD1 4.11Å; Y80-I82 WeakPolarHBondContact O-CD1 3.29Å; Y80-I82 PolarHBondContact O-N 2.87Å
83T97.9Very high97.4Very high1 Ų152.6 Ų52.61%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-103.8-8.2-170.6600000113.5C33 I34 L81 P91 N95 L96C33-T83 HydrophobicContact CB-CG2 4Å; I34-T83 PolarHBondContact O-N 3.43Å; I34-T83 VanDerWaalsContact O-N 3.07Å; L81-T83 HydrophobicContact CB-CG2 4.11Å; L81-T83 PolarHBondContact O-N 3.27Å; T83-P91 WeakPolarHBondContact O-CA 3.38Å; T83-P91 VanDerWaalsContact O-CB 3.28Å; T83-P91 WeakPolarHBondContact O-CB 3.49Å; T83-N95 WeakPolarHBondContact O-CB 3.32Å; T83-L96 HydrophobicContact CG2-CB 4.44Å; T83-L96 HydrophobicContact CG2-CD1 3.86Å
84K97.8Very high97.5Very high23 Ų2354.9 Ų54.910%0.129%0.289CS..EExtended strand (participates in β ladder)trans-158.3157.2-176.361-175.6176.5-176.70113S35 E36 S65 R86 A87 H89 D125S35-K84 CarbonylContact C-O 3.59Å; S35-K84 WeakPolarHBondContact CA-O 3.34Å; S35-K84 WeakPolarHBondContact CB-O 3.44Å; E36-K84 PolarHBondContact N-O 2.97Å; S65-K84 WeakPolarHBondContact OG-CA 3.36Å; K84-R86 WeakPolarHBondContact CD-O 3.47Å; K84-A87 PolarHBondContact NZ-O 3.05Å; K84-H89 HydrophobicContact CB-CB 4.39Å; K84-H89 HydrophobicContact CD-CB 4.47Å; K84-H89 WeakPolarHBondContact CD-O 3.43Å; K84-H89 PolarHBondContact NZ-O 3.4Å; K84-D125 IonicContact NZ-OD1 2.72Å; K84-D125 PolarHBondContact NZ-OD1 2.94Å
85K97.7Very high97.7Very high128 Ų12849.6 Ų49.656%0.55726%0.26SS*.SBendtrans-69.7-37-178.3-168170.4-173.7170.50114.6S65S65-K85 PolarHBondContact OG-N 3.39Å
86R97.7Very high97.8Very high144 Ų14446.2 Ų46.254%0.54323%0.226SC..SBendtrans-139.3150.7-176.6-63.9-175.4177.6-166.1-0.5110.6K84 S88 H89K84-R86 WeakPolarHBondContact CD-O 3.47Å; R86-S88 PolarHBondContact O-N 3.45Å; R86-S88 VanDerWaalsContact O-N 3.17Å; R86-H89 WeakPolarHBondContact O-CB 3.48Å; R86-H89 PolarHBondContact O-N 2.99Å
87A96.4Very high97.8Very high38 Ų3848.5 Ų48.531%0.31424%0.237SC..THydrogen-bonded Turntrans-58.5-31.7-178.900000113.9S35 D37 R39 K84 H89S35-A87 WeakPolarHBondContact OG-CA 3.33Å; S35-A87 PolarHBondContact OG-N 2.89Å; D37-A87 PolarHBondContact OD1-N 3.18Å; D37-A87 PolarHBondContact OD2-N 3.23Å; R39-A87 HydrophobicContact CB-CB 3.69Å; K84-A87 PolarHBondContact NZ-O 3.05Å; A87-H89 VanDerWaalsContact C-N 3.31Å; A87-H89 PolarHBondContact O-N 3.06Å
88S95.2Very high97.8Very high101 Ų10151.3 Ų51.371%0.70625%0.249SC*.THydrogen-bonded Turntrans-74.7-16.5177.255.70000114.1R86R86-S88 PolarHBondContact O-N 3.45Å; R86-S88 VanDerWaalsContact O-N 3.17Å
89H96.6Very high97.8Very high83 Ų8351.3 Ų51.338%0.38425%0.249SC..SBendtrans-79.2170179.4-64.7-172.7000111K84 R86 A87K84-H89 HydrophobicContact CB-CB 4.39Å; K84-H89 HydrophobicContact CD-CB 4.47Å; K84-H89 WeakPolarHBondContact CD-O 3.43Å; K84-H89 PolarHBondContact NZ-O 3.4Å; R86-H89 WeakPolarHBondContact O-CB 3.48Å; R86-H89 PolarHBondContact O-N 2.99Å; A87-H89 VanDerWaalsContact C-N 3.31Å; A87-H89 PolarHBondContact O-N 3.06Å
90K95.8Very high97.8Very high108 Ų10851.3 Ų51.347%0.4725%0.249SC..PPolyproline II helixtrans-102.7144.2168.4-57.9-56-179.1-165.70109.8L124K90-L124 PolarHBondContact NZ-O 3.12Å
91P96.3Very high97.8Very high10 Ų1054.8 Ų54.87%0.06527%0.266CS..PPolyproline II helixtrans-73161.5171.733.4-35.2000111T83 D125 L127T83-P91 WeakPolarHBondContact O-CA 3.38Å; T83-P91 VanDerWaalsContact O-CB 3.28Å; T83-P91 WeakPolarHBondContact O-CB 3.49Å; P91-D125 WeakPolarHBondContact CD-OD1 3.43Å; P91-D125 HydrophobicContact CG-CB 3.6Å; P91-L127 HydrophobicContact CG-CD1 3.97Å; P91-L127 HydrophobicContact CG-CG 4.16Å
92T97.5Very high97.8Very high65 Ų6556.3 Ų56.340%0.39928%0.279SS..PPolyproline II helixtrans-102.4155.916761.30000109.2E94 N95 L96T92-E94 PolarHBondContact O-N 2.89Å; T92-N95 PolarHBondContact O-N 3.44Å; T92-N95 WeakPolarHBondContact OG1-CB 3.26Å; T92-N95 PolarHBondContact OG1-N 3.43Å; T92-N95 VanDerWaalsContact OG1-N 3.14Å; T92-N95 PolarHBondContact OG1-ND2 2.89Å; T92-L96 PolarHBondContact O-N 3.09Å
93Y98.4Very high97.8Very high76 Ų7656.2 Ų56.230%0.29828%0.278SS..Hα-helixtrans-56.8-40.6171.5-73.1-69.2000111.5N95 L96 Q97 L127 Q128 N131 V132 M135Y93-N95 PolarHBondContact O-N 2.63Å; Y93-L96 PolarHBondContact O-N 2.68Å; Y93-Q97 WeakPolarHBondContact O-CB 3.34Å; Y93-Q97 PolarHBondContact O-N 3.42Å; Y93-L127 HydrophobicContact CD1-CD1 4.29Å; Y93-L127 HydrophobicContact CD1-CD2 4.27Å; Y93-L127 HydrophobicContact CD2-CD2 4.35Å; Y93-L127 HydrophobicContact CE1-CB 3.96Å; Y93-L127 HydrophobicContact CE1-CD1 4.31Å; Y93-L127 HydrophobicContact CE1-CD2 3.99Å; Y93-L127 HydrophobicContact CE1-CG 4.31Å; Y93-L127 HydrophobicContact CE2-CD2 4.08Å; Y93-L127 HydrophobicContact CG-CD2 4.44Å; Y93-Q128 PolarHBondContact OH-N 3.09Å; Y93-Q128 VanDerWaalsContact OH-N 3.11Å; Y93-N131 HydrophobicContact CD1-CB 4.4Å; Y93-N131 HydrophobicContact CE1-CB 3.59Å; Y93-N131 PolarHBondContact OH-ND2 3.11Å; Y93-N131 VanDerWaalsContact OH-ND2 3.11Å; Y93-V132 HydrophobicContact CE1-CG2 4.25Å; Y93-M135 HydrophobicContact CD1-CE 3.96Å; Y93-M135 HydrophobicContact CG-CE 4.4Å; Y93-M135 WeakPolarHBondContact O-CE 3.37Å
94E98.4Very high97.9Very high110 Ų11058.8 Ų58.851%0.51429%0.289SS..Hα-helixtrans-58.4-47.3176.8-172.5-168.5165.300112.9T92 L96 Q97 K98T92-E94 PolarHBondContact O-N 2.89Å; E94-L96 VanDerWaalsContact C-N 3.32Å; E94-L96 PolarHBondContact O-N 3.3Å; E94-Q97 PolarHBondContact O-N 3.29Å; E94-K98 HydrophobicContact CG-CD 4.32Å; E94-K98 WeakPolarHBondContact O-CG 3.36Å; E94-K98 PolarHBondContact O-N 3.05Å; E94-K98 IonicContact OE1-NZ 2.66Å; E94-K98 PolarHBondContact OE1-NZ 2.87Å
95N98.5Very high97.9Very high36 Ų3661.1 Ų61.119%0.19331%0.308CS..Hα-helixtrans-68-35.2178.6-75.6-26.2000111.7G66 T83 T92 Y93 S99G66-N95 WeakPolarHBondContact CA-O 3.26Å; T83-N95 WeakPolarHBondContact O-CB 3.32Å; T92-N95 PolarHBondContact O-N 3.44Å; T92-N95 WeakPolarHBondContact OG1-CB 3.26Å; T92-N95 PolarHBondContact OG1-N 3.43Å; T92-N95 VanDerWaalsContact OG1-N 3.14Å; T92-N95 PolarHBondContact OG1-ND2 2.89Å; Y93-N95 PolarHBondContact O-N 2.63Å; N95-S99 WeakPolarHBondContact O-CB 3.35Å; N95-S99 PolarHBondContact O-N 3.3Å; N95-S99 VanDerWaalsContact O-N 3.07Å; N95-S99 PolarHBondContact O-OG 3.14Å
96L98.5Very high97.9Very high0 Ų057.2 Ų57.20%029%0.292CS..Hα-helixtrans-63.1-49.4174178.462.7000110.7L81 T83 T92 Y93 E94 K98 S99 L100 I120 L127 V132 M135L81-L96 HydrophobicContact CD2-CD1 4.22Å; T83-L96 HydrophobicContact CG2-CB 4.44Å; T83-L96 HydrophobicContact CG2-CD1 3.86Å; T92-L96 PolarHBondContact O-N 3.09Å; Y93-L96 PolarHBondContact O-N 2.68Å; E94-L96 VanDerWaalsContact C-N 3.32Å; E94-L96 PolarHBondContact O-N 3.3Å; L96-K98 PolarHBondContact O-N 2.78Å; L96-S99 PolarHBondContact O-N 2.76Å; L96-S99 VanDerWaalsContact O-N 3.16Å; L96-S99 PolarHBondContact O-OG 3.26Å; L96-L100 HydrophobicContact CD1-CD1 4.28Å; L96-L100 HydrophobicContact CD1-CG 4.35Å; L96-L100 HydrophobicContact CG-CD1 4.03Å; L96-L100 WeakPolarHBondContact O-CG 3.35Å; L96-L100 PolarHBondContact O-N 3.49Å; L96-I120 HydrophobicContact CD1-CD1 4.2Å; L96-L127 HydrophobicContact CB-CD1 4.43Å; L96-L127 HydrophobicContact CD2-CD1 3.67Å; L96-V132 HydrophobicContact CD2-CB 4.35Å; L96-V132 HydrophobicContact CD2-CG1 3.94Å; L96-V132 HydrophobicContact CD2-CG2 3.64Å; L96-M135 HydrophobicContact CB-SD 4.23Å; L96-M135 HydrophobicContact CD2-SD 4.06Å; L96-M135 HydrophobicContact CG-SD 3.91Å
97Q98.7Very high98Very high61 Ų6150.4 Ų50.429%0.28527%0.266SS..Hα-helixtrans-56.9-52179-175.4172.6-6.100111.7Y93 E94 S99 L100 E101 M135 V139Y93-Q97 WeakPolarHBondContact O-CB 3.34Å; Y93-Q97 PolarHBondContact O-N 3.42Å; E94-Q97 PolarHBondContact O-N 3.29Å; Q97-S99 VanDerWaalsContact C-N 3.26Å; Q97-S99 PolarHBondContact O-N 3.21Å; Q97-L100 WeakPolarHBondContact O-CB 3.04Å; Q97-L100 PolarHBondContact O-N 3.22Å; Q97-E101 PolarHBondContact NE2-OE1 3.05Å; Q97-E101 WeakPolarHBondContact O-CG 3.35Å; Q97-E101 PolarHBondContact O-N 3.02Å; Q97-M135 VanDerWaalsContact CA-SD 3.5Å; Q97-M135 HydrophobicContact CB-CE 3.96Å; Q97-M135 HydrophobicContact CB-CG 4.15Å; Q97-M135 HydrophobicContact CB-SD 3.58Å; Q97-M135 VanDerWaalsContact CB-SD 3.58Å; Q97-M135 HydrophobicContact CG-CG 4.22Å; Q97-M135 HydrophobicContact CG-SD 4.31Å; Q97-M135 PolarHBondContact N-SD 3.3Å; Q97-V139 HydrophobicContact CG-CG2 4.3Å
98K98.8Very high98.1Very high91 Ų9153.5 Ų53.540%0.39628%0.277SS..Hα-helixtrans-56.8-41.1177.4-73.4174.4172.5171.50111.9G66 E94 L96 L100 E101 A102G66-K98 CarbonylContact O-C 3.57Å; G66-K98 WeakPolarHBondContact O-CB 3.22Å; G66-K98 VanDerWaalsContact O-O 3.13Å; E94-K98 HydrophobicContact CG-CD 4.32Å; E94-K98 WeakPolarHBondContact O-CG 3.36Å; E94-K98 PolarHBondContact O-N 3.05Å; E94-K98 IonicContact OE1-NZ 2.66Å; E94-K98 PolarHBondContact OE1-NZ 2.87Å; L96-K98 PolarHBondContact O-N 2.78Å; K98-L100 PolarHBondContact O-N 2.76Å; K98-E101 PolarHBondContact O-N 3.23Å; K98-A102 WeakPolarHBondContact O-CB 3.43Å; K98-A102 PolarHBondContact O-N 3.49Å
99S98.8Very high98.2Very high0 Ų057.3 Ų57.30%028%0.281CS..Hα-helixtrans-68.6-33.7178.372.30000113G66 E67 N95 L96 Q97 M103G66-S99 WeakPolarHBondContact O-CA 3.46Å; G66-S99 PolarHBondContact O-N 3.14Å; G66-S99 VanDerWaalsContact O-N 3.1Å; E67-S99 WeakPolarHBondContact O-CB 3.39Å; N95-S99 WeakPolarHBondContact O-CB 3.35Å; N95-S99 PolarHBondContact O-N 3.3Å; N95-S99 VanDerWaalsContact O-N 3.07Å; N95-S99 PolarHBondContact O-OG 3.14Å; L96-S99 PolarHBondContact O-N 2.76Å; L96-S99 VanDerWaalsContact O-N 3.16Å; L96-S99 PolarHBondContact O-OG 3.26Å; Q97-S99 VanDerWaalsContact C-N 3.26Å; Q97-S99 PolarHBondContact O-N 3.21Å; S99-M103 WeakPolarHBondContact O-CB 3.37Å; S99-M103 PolarHBondContact O-N 3.16Å
100L98.7Very high98.3Very high0 Ų056.2 Ų56.20%028%0.278CS..Hα-helixtrans-67.7-43.2172.8-73.4166.7000111.2L81 L96 Q97 K98 A102 M103 K104 I120 M135 I136 V139 F140L81-L100 HydrophobicContact CD2-CD2 3.66Å; L81-L100 HydrophobicContact CD2-CG 3.98Å; L96-L100 HydrophobicContact CD1-CD1 4.28Å; L96-L100 HydrophobicContact CD1-CG 4.35Å; L96-L100 HydrophobicContact CG-CD1 4.03Å; L96-L100 WeakPolarHBondContact O-CG 3.35Å; L96-L100 PolarHBondContact O-N 3.49Å; Q97-L100 WeakPolarHBondContact O-CB 3.04Å; Q97-L100 PolarHBondContact O-N 3.22Å; K98-L100 PolarHBondContact O-N 2.76Å; L100-A102 VanDerWaalsContact C-N 3.35Å; L100-A102 PolarHBondContact O-N 2.72Å; L100-M103 HydrophobicContact CD2-CE 3.72Å; L100-M103 WeakPolarHBondContact O-CB 3.37Å; L100-M103 PolarHBondContact O-N 3.06Å; L100-K104 PolarHBondContact O-N 3.26Å; L100-I120 HydrophobicContact CD2-CD1 3.8Å; L100-M135 HydrophobicContact CD1-CG 3.95Å; L100-M135 HydrophobicContact CD1-SD 3.86Å; L100-I136 HydrophobicContact CD1-CG1 3.93Å; L100-I136 HydrophobicContact CD2-CG1 4.18Å; L100-V139 HydrophobicContact CB-CB 4.44Å; L100-V139 HydrophobicContact CB-CG1 4.09Å; L100-V139 HydrophobicContact CB-CG2 4.16Å; L100-F140 HydrophobicContact CD2-CE2 4.29Å
101E98.8Very high98.4Very high74 Ų7453.9 Ų53.935%0.34629%0.285SS..Hα-helixtrans-63.1-40.3175.8-69.8168.1176.400112Q97 K98 K104 S105 V139Q97-E101 PolarHBondContact NE2-OE1 3.05Å; Q97-E101 WeakPolarHBondContact O-CG 3.35Å; Q97-E101 PolarHBondContact O-N 3.02Å; K98-E101 PolarHBondContact O-N 3.23Å; E101-K104 PolarHBondContact O-N 2.92Å; E101-S105 WeakPolarHBondContact O-CB 3.42Å; E101-S105 PolarHBondContact O-N 3.35Å; E101-S105 PolarHBondContact O-OG 2.93Å; E101-V139 HydrophobicContact CG-CG1 4.12Å; E101-V139 HydrophobicContact CG-CG2 4.01Å
102A98.8Very high98.5Very high32 Ų3254 Ų5426%0.26429%0.285SS..Hα-helixtrans-63.9-42.6173.400000111.4V68 K98 L100 S105 H106V68-A102 HydrophobicContact CB-CB 4.22Å; V68-A102 HydrophobicContact CG1-CB 3.84Å; K98-A102 WeakPolarHBondContact O-CB 3.43Å; K98-A102 PolarHBondContact O-N 3.49Å; L100-A102 VanDerWaalsContact C-N 3.35Å; L100-A102 PolarHBondContact O-N 2.72Å; A102-S105 PolarHBondContact O-N 2.68Å; A102-H106 PolarHBondContact O-N 3.24Å
103M98.8Very high98.5Very high0 Ų054.6 Ų54.60%029%0.289CS..Hα-helixtrans-62-47.2174.3179.1176.772.100111.6A31 V68 Y79 L81 S99 L100 S105 H106 C107 L115 M117 F140A31-M103 HydrophobicContact CB-CE 4.38Å; A31-M103 HydrophobicContact CB-SD 3.64Å; V68-M103 HydrophobicContact CG2-CB 4.23Å; Y79-M103 HydrophobicContact CD1-CG 3.81Å; Y79-M103 HydrophobicContact CD1-SD 4.46Å; Y79-M103 HydrophobicContact CD2-CG 3.99Å; Y79-M103 HydrophobicContact CD2-SD 3.93Å; Y79-M103 HydrophobicContact CE1-CG 4.18Å; Y79-M103 HydrophobicContact CE2-CG 4.33Å; Y79-M103 HydrophobicContact CG-CG 3.71Å; Y79-M103 HydrophobicContact CG-SD 3.78Å; L81-M103 HydrophobicContact CD1-SD 3.8Å; S99-M103 WeakPolarHBondContact O-CB 3.37Å; S99-M103 PolarHBondContact O-N 3.16Å; L100-M103 HydrophobicContact CD2-CE 3.72Å; L100-M103 WeakPolarHBondContact O-CB 3.37Å; L100-M103 PolarHBondContact O-N 3.06Å; M103-S105 VanDerWaalsContact C-N 3.33Å; M103-S105 PolarHBondContact O-N 3.07Å; M103-H106 PolarHBondContact O-N 3.1Å; M103-C107 PolarHBondContact O-N 3.21Å; M103-C107 PolarHBondContact O-SG 2.5Å; M103-L115 HydrophobicContact CE-CD1 3.84Å; M103-L115 HydrophobicContact SD-CD1 4.34Å; M103-M117 HydrophobicContact CE-CE 4.13Å; M103-F140 HydrophobicContact CE-CE2 3.86Å; M103-F140 HydrophobicContact CE-CZ 3.54Å
104K98.6Very high98.5Very high54 Ų5453.2 Ų53.224%0.23529%0.287CS..Hα-helixtrans-54.2-50.3174.4174.6178.668.3177.60111.2L100 E101 H106 C107 L108 V139 F140 T143L100-K104 PolarHBondContact O-N 3.26Å; E101-K104 PolarHBondContact O-N 2.92Å; K104-H106 VanDerWaalsContact C-N 3.26Å; K104-H106 PolarHBondContact O-N 2.83Å; K104-C107 WeakPolarHBondContact O-CB 3.38Å; K104-C107 PolarHBondContact O-N 3.45Å; K104-L108 HydrophobicContact CG-CD1 4.01Å; K104-L108 HydrophobicContact CG-CG 4.35Å; K104-L108 WeakPolarHBondContact O-CG 3.41Å; K104-L108 PolarHBondContact O-N 2.95Å; K104-V139 HydrophobicContact CB-CG1 4.14Å; K104-V139 HydrophobicContact CD-CG1 4.07Å; K104-V139 WeakPolarHBondContact CD-O 3.47Å; K104-V139 WeakPolarHBondContact CE-O 3.49Å; K104-V139 PolarHBondContact NZ-O 3.06Å; K104-F140 HydrophobicContact CB-CD1 4.29Å; K104-F140 HydrophobicContact CB-CE1 3.67Å; K104-F140 HydrophobicContact CB-CE2 4.49Å; K104-F140 HydrophobicContact CB-CZ 3.77Å; K104-F140 HydrophobicContact CD-CD1 4.49Å; K104-F140 HydrophobicContact CG-CD1 4.25Å; K104-F140 HydrophobicContact CG-CE1 4.04Å; K104-T143 HydrophobicContact CD-CG2 3.81Å; K104-T143 HydrophobicContact CG-CG2 4.1Å
105S98.6Very high98.5Very high72 Ų7248 Ų4850%0.50326%0.262SS..Hα-helixtrans-58.2-41.4-179.6-57.80000111.5E101 A102 M103 K109E101-S105 WeakPolarHBondContact O-CB 3.42Å; E101-S105 PolarHBondContact O-N 3.35Å; E101-S105 PolarHBondContact O-OG 2.93Å; A102-S105 PolarHBondContact O-N 2.68Å; M103-S105 VanDerWaalsContact C-N 3.33Å; M103-S105 PolarHBondContact O-N 3.07Å; S105-K109 WeakPolarHBondContact O-CB 3.14Å; S105-K109 PolarHBondContact O-N 2.81Å; S105-K109 VanDerWaalsContact O-N 3.16Å
106H98.8Very high98.5Very high47 Ų4746.3 Ų46.322%0.21825%0.253CS..Hα-helixtrans-66.2-42.2174.3-172.2-78.7000112.3Y77 Y79 A102 M103 K104 K109 N110Y77-H106 AromaticContact CD1-CE1 3.61Å; Y77-H106 AromaticContact CE1-CE1 3.57Å; Y79-H106 HydrophobicContact CE1-CB 4.07Å; Y79-H106 AromaticContact CE1-CG 3.83Å; Y79-H106 AromaticContact CE1-ND1 3.35Å; Y79-H106 VanDerWaalsContact CE1-ND1 3.35Å; Y79-H106 WeakPolarHBondContact CE1-ND1 3.41Å; Y79-H106 AromaticContact CZ-ND1 3.6Å; Y79-H106 PolarHBondContact OH-ND1 3.31Å; A102-H106 PolarHBondContact O-N 3.24Å; M103-H106 PolarHBondContact O-N 3.1Å; K104-H106 VanDerWaalsContact C-N 3.26Å; K104-H106 PolarHBondContact O-N 2.83Å; H106-K109 PolarHBondContact O-N 2.92Å; H106-N110 PolarHBondContact CE1-ND2 3.17Å; H106-N110 PolarHBondContact ND1-ND2 2.9Å; H106-N110 PolarHBondContact NE2-ND2 3.49Å; H106-N110 WeakPolarHBondContact O-CB 3.21Å; H106-N110 PolarHBondContact O-N 2.92Å; H106-N110 VanDerWaalsContact O-N 3.09Å; H106-N110 PolarHBondContact O-ND2 2.66Å
107C98.7Very high98.5Very high0 Ų046.3 Ų46.30%025%0.253CS..Hα-helixtrans-58.5-51.3178.4-68.60000111.4Y79 M103 K104 K109 N110 G111 V112 I145Y79-C107 VanDerWaalsContact CZ-SG 3.56Å; Y79-C107 PolarHBondContact OH-SG 3.02Å; M103-C107 PolarHBondContact O-N 3.21Å; M103-C107 PolarHBondContact O-SG 2.5Å; K104-C107 WeakPolarHBondContact O-CB 3.38Å; K104-C107 PolarHBondContact O-N 3.45Å; C107-K109 PolarHBondContact O-N 3.46Å; C107-N110 CarbonylContact O-C 3.59Å; C107-N110 PolarHBondContact O-N 2.97Å; C107-N110 VanDerWaalsContact O-N 3.14Å; C107-G111 PolarHBondContact O-N 2.92Å; C107-V112 HydrophobicContact CB-CB 3.82Å; C107-V112 HydrophobicContact CB-CG1 4.35Å; C107-V112 PolarHBondContact O-N 2.74Å; C107-I145 HydrophobicContact CB-CD1 3.5Å
108L98.4Very high98.5Very high103 Ų10344.3 Ų44.354%0.53925%0.246SC..Hα-helixtrans-59.9-44.8179.2-65.4175.3000111.7K104 N110 T143 I145K104-L108 HydrophobicContact CG-CD1 4.01Å; K104-L108 HydrophobicContact CG-CG 4.35Å; K104-L108 WeakPolarHBondContact O-CG 3.41Å; K104-L108 PolarHBondContact O-N 2.95Å; L108-N110 PolarHBondContact O-N 3.07Å; L108-T143 HydrophobicContact CD1-CG2 4.28Å; L108-T143 HydrophobicContact CD2-CG2 4.06Å; L108-I145 HydrophobicContact CD2-CD1 4.14Å; L108-I145 HydrophobicContact CG-CD1 4.46Å
109K98.5Very high98.4Very high182 Ų18245.9 Ų45.979%0.79125%0.249SC*.Hα-helixtrans-62.8-28.6178.3-177.9175.8177.8179.70113.4S105 H106 C107S105-K109 WeakPolarHBondContact O-CB 3.14Å; S105-K109 PolarHBondContact O-N 2.81Å; S105-K109 VanDerWaalsContact O-N 3.16Å; H106-K109 PolarHBondContact O-N 2.92Å; C107-K109 PolarHBondContact O-N 3.46Å
110N98.4Very high98.3Very high59 Ų5946 Ų4632%0.31625%0.25SC..Hα-helixtrans-112.69.7-173-67.7-95.8000113.6Y77 H106 C107 L108 V112Y77-N110 HydrophobicContact CE2-CB 3.81Å; Y77-N110 PolarHBondContact OH-OD1 2.94Å; H106-N110 PolarHBondContact CE1-ND2 3.17Å; H106-N110 PolarHBondContact ND1-ND2 2.9Å; H106-N110 PolarHBondContact NE2-ND2 3.49Å; H106-N110 WeakPolarHBondContact O-CB 3.21Å; H106-N110 PolarHBondContact O-N 2.92Å; H106-N110 VanDerWaalsContact O-N 3.09Å; H106-N110 PolarHBondContact O-ND2 2.66Å; C107-N110 CarbonylContact O-C 3.59Å; C107-N110 PolarHBondContact O-N 2.97Å; C107-N110 VanDerWaalsContact O-N 3.14Å; L108-N110 PolarHBondContact O-N 3.07Å; N110-V112 VanDerWaalsContact C-N 3.33Å; N110-V112 PolarHBondContact O-N 3.3Å
111G97.6Very high98Very high60 Ų6046.3 Ų46.362%0.61925%0.253SS*.THydrogen-bonded Turntrans64.532.5178.600000114.3C107C107-G111 PolarHBondContact O-N 2.92Å
112V98.4Very high97.6Very high13 Ų1344 Ų448%0.07924%0.244CC..  trans-81.1119.5172.8177.20000109.1Y77 Y79 C107 N110 L115 I145Y77-V112 HydrophobicContact CD2-CG2 3.41Å; Y77-V112 VanDerWaalsContact CD2-CG2 3.41Å; Y77-V112 HydrophobicContact CE2-CG2 3.86Å; Y77-V112 HydrophobicContact CG-CG2 4.4Å; Y79-V112 HydrophobicContact CE2-CG1 4.5Å; Y79-V112 WeakPolarHBondContact OH-CG2 3.13Å; C107-V112 HydrophobicContact CB-CB 3.82Å; C107-V112 HydrophobicContact CB-CG1 4.35Å; C107-V112 PolarHBondContact O-N 2.74Å; N110-V112 VanDerWaalsContact C-N 3.33Å; N110-V112 PolarHBondContact O-N 3.3Å; V112-L115 HydrophobicContact CG1-CD2 4.03Å; V112-L115 HydrophobicContact CG1-CG 4.47Å; V112-I145 WeakPolarHBondContact O-CG1 3.45Å
113T97Very high97.2Very high76 Ų7645.2 Ų45.247%0.46626%0.26SS..  trans-106.7-20.5-17849.30000113.3I145 K146T113-I145 CarbonylContact O-C 3.51Å; T113-I145 VanDerWaalsContact O-CA 3.31Å; T113-I145 WeakPolarHBondContact O-CA 3.4Å; T113-K146 PolarHBondContact O-N 3.3Å
114D98.2Very high96.8Very high48 Ų4850.5 Ų50.526%0.25729%0.288SS..EExtended strand (participates in β ladder)trans-131.5120.9-171.7-56.2-91000110.3S29S29-D114 PolarHBondContact N-O 2.91Å
115L98.6Very high96.5Very high1 Ų148.9 Ų48.91%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-117.4130.5178.2-69.8175.6000110.5S29 Y79 M103 V112 M117 F140 I145 K146 I147 T148S29-L115 CarbonylContact O-C 3.59Å; S29-L115 WeakPolarHBondContact O-CA 3.45Å; Y79-L115 HydrophobicContact CD2-CD2 3.82Å; Y79-L115 HydrophobicContact CE2-CD2 3.69Å; M103-L115 HydrophobicContact CE-CD1 3.84Å; M103-L115 HydrophobicContact SD-CD1 4.34Å; V112-L115 HydrophobicContact CG1-CD2 4.03Å; V112-L115 HydrophobicContact CG1-CG 4.47Å; L115-M117 HydrophobicContact CB-CE 4.07Å; L115-M117 HydrophobicContact CD1-CE 4.29Å; L115-F140 HydrophobicContact CD1-CE1 3.88Å; L115-F140 HydrophobicContact CD1-CZ 3.91Å; L115-I145 HydrophobicContact CD1-CG2 3.7Å; L115-I145 HydrophobicContact CG-CG2 3.86Å; L115-K146 PolarHBondContact N-O 3.25Å; L115-I147 HydrophobicContact CB-CG1 4.34Å; L115-I147 HydrophobicContact CD1-CG1 4.45Å; L115-I147 CarbonylContact O-C 3Å; L115-I147 WeakPolarHBondContact O-CA 3.43Å; L115-T148 PolarHBondContact O-N 3.34Å
116S98.7Very high96.3Very high0 Ų055 Ų550%029%0.294CS..EExtended strand (participates in β ladder)trans-116.7128.7171.9-86.80000109.7C24 D28 S29 L30 A31 T148 Y150C24-S116 WeakPolarHBondContact CB-OG 3.35Å; D28-S116 PolarHBondContact OD2-OG 3.08Å; S29-S116 PolarHBondContact O-N 2.85Å; L30-S116 VanDerWaalsContact CA-O 3.3Å; L30-S116 WeakPolarHBondContact CA-O 3.34Å; L30-S116 WeakPolarHBondContact CD2-O 3.45Å; A31-S116 PolarHBondContact N-O 3.11Å; A31-S116 VanDerWaalsContact N-O 3.11Å; S116-T148 WeakPolarHBondContact CA-O 3.46Å; S116-Y150 WeakPolarHBondContact OG-CE2 3.4Å
117M98.7Very high96.2Very high0 Ų053.6 Ų53.60%029%0.288CS..EExtended strand (participates in β ladder)trans-148159.7-175.267.4-175.770.700112.5A31 M103 L115 I120 I136 I147 T148 V149 Y150A31-M117 HydrophobicContact CB-CB 4.04Å; A31-M117 HydrophobicContact CB-CE 4.19Å; M103-M117 HydrophobicContact CE-CE 4.13Å; L115-M117 HydrophobicContact CB-CE 4.07Å; L115-M117 HydrophobicContact CD1-CE 4.29Å; M117-I120 HydrophobicContact CB-CG2 4.2Å; M117-I120 HydrophobicContact SD-CD1 3.93Å; M117-I120 HydrophobicContact SD-CG1 4.38Å; M117-I120 HydrophobicContact SD-CG2 4.42Å; M117-I136 HydrophobicContact SD-CD1 4.07Å; M117-I147 HydrophobicContact CE-CG2 3.76Å; M117-I147 HydrophobicContact CG-CG2 4.42Å; M117-I147 HydrophobicContact SD-CG2 4.11Å; M117-T148 PolarHBondContact N-O 3.09Å; M117-V149 HydrophobicContact CG-CG2 4Å; M117-V149 CarbonylContact O-C 3.6Å; M117-V149 VanDerWaalsContact O-CA 3.29Å; M117-V149 WeakPolarHBondContact O-CA 3.46Å; M117-Y150 PolarHBondContact O-N 2.66Å
118P97.7Very high96.2Very high19 Ų1959 Ų5912%0.12331%0.313CS..EExtended strand (participates in β ladder)trans-79.6-173.1168.436.3-33000109.9L21 A31 I44 I120L21-P118 HydrophobicContact CD2-CB 4.35Å; L21-P118 HydrophobicContact CD2-CG 4.22Å; A31-P118 WeakPolarHBondContact O-CD 3.35Å; I44-P118 HydrophobicContact CD1-CB 4.11Å; I44-P118 HydrophobicContact CD1-CG 4.22Å; I44-P118 HydrophobicContact CG2-CG 4.33Å; P118-I120 HydrophobicContact CG-CG2 4.02Å; P118-I120 PolarHBondContact O-N 2.83Å
119R97.1Very high96.1Very high123 Ų12355.2 Ų55.246%0.46429%0.292SS..SBendtrans-66.579.8161.7-66.7-172.7179.3-178.7-0.4111.1C122 W129 V149 T151R119-C122 HydrophobicContact CB-CB 4.28Å; R119-C122 PolarHBondContact O-N 2.9Å; R119-W129 VanDerWaalsContact CA-CZ3 3.46Å; R119-W129 HydrophobicContact CB-CD2 4.05Å; R119-W129 HydrophobicContact CB-CE3 3.59Å; R119-W129 HydrophobicContact CB-CZ3 3.88Å; R119-W129 HydrophobicContact CG-CD2 3.67Å; R119-W129 HydrophobicContact CG-CE3 3.72Å; R119-W129 HydrophobicContact CG-CG 4.24Å; R119-W129 HydrophobicContact CG-CH2 4.3Å; R119-W129 HydrophobicContact CG-CZ2 4.27Å; R119-W129 HydrophobicContact CG-CZ3 4.05Å; R119-V149 HydrophobicContact CG-CG1 4.04Å; R119-T151 HydrophobicContact CG-CG2 3.98Å
120I96.4Very high96Very high3 Ų352.5 Ų52.52%0.01528%0.282CS..THydrogen-bonded Turntrans-58.3142.5-176.157.6172.3000111.2L81 L96 L100 M117 P118 C122 V132 I136L81-I120 HydrophobicContact CD2-CD1 4.06Å; L96-I120 HydrophobicContact CD1-CD1 4.2Å; L100-I120 HydrophobicContact CD2-CD1 3.8Å; M117-I120 HydrophobicContact CB-CG2 4.2Å; M117-I120 HydrophobicContact SD-CD1 3.93Å; M117-I120 HydrophobicContact SD-CG1 4.38Å; M117-I120 HydrophobicContact SD-CG2 4.42Å; P118-I120 HydrophobicContact CG-CG2 4.02Å; P118-I120 PolarHBondContact O-N 2.83Å; I120-C122 PolarHBondContact O-N 2.62Å; I120-C122 PolarHBondContact O-SG 3.37Å; I120-C122 VanDerWaalsContact O-SG 3.34Å; I120-V132 HydrophobicContact CG1-CG1 3.92Å; I120-I136 HydrophobicContact CD1-CD1 3.89Å; I120-I136 HydrophobicContact CD1-CG1 4.32Å; I120-I136 HydrophobicContact CG1-CD1 4.04Å
121G93.2Very high96Very high6 Ų653.2 Ų53.26%0.06229%0.286CS..THydrogen-bonded Turntrans69.4-8.217900000117.1D125 L127G121-D125 CarbonylContact O-C 3.47Å; G121-D125 WeakPolarHBondContact O-CB 3.47Å; G121-L127 WeakPolarHBondContact O-CB 3.32Å; G121-L127 WeakPolarHBondContact O-CG 3.34Å; G121-L127 PolarHBondContact O-N 3.05Å
122C90Very high96Very high25 Ų2550.3 Ų50.317%0.16926%0.256CS..THydrogen-bonded Turntrans-98.1-26.2-168.8-63.60000116.2R119 I120 L127 W129R119-C122 HydrophobicContact CB-CB 4.28Å; R119-C122 PolarHBondContact O-N 2.9Å; I120-C122 PolarHBondContact O-N 2.62Å; I120-C122 PolarHBondContact O-SG 3.37Å; I120-C122 VanDerWaalsContact O-SG 3.34Å; C122-L127 VanDerWaalsContact CA-O 3.24Å; C122-L127 WeakPolarHBondContact CA-O 3.48Å; C122-L127 WeakPolarHBondContact CB-O 3.39Å; C122-L127 PolarHBondContact SG-O 3.34Å; C122-L127 VanDerWaalsContact SG-O 3.32Å; C122-W129 HydrophobicContact CB-CB 4.48Å; C122-W129 WeakPolarHBondContact SG-CA 3.4Å
123G90.8Very high96Very high58 Ų5850.5 Ų50.560%0.59826%0.258SS*.SBendtrans-74.1-105.3-178.600000113.2D125 R126G123-D125 PolarHBondContact O-N 3.44Å; G123-D125 VanDerWaalsContact O-N 3.09Å; G123-R126 PolarHBondContact O-N 3.46Å; G123-R126 VanDerWaalsContact O-N 3.12Å
124L90.4Very high96Very high112 Ų11249.3 Ų49.359%0.58626%0.256SS*.THydrogen-bonded Turntrans-60.1-22.6178.2-66.2175.3000113A42 K90A42-L124 HydrophobicContact CB-CD1 3.62Å; K90-L124 PolarHBondContact NZ-O 3.12Å
125D93.4Very high95.9Very high20 Ų2047.8 Ų47.811%0.10725%0.247CC..THydrogen-bonded Turntrans-84.2-16.6-179.1-76.6-26.6000113.8K84 P91 G121 G123 L127K84-D125 IonicContact NZ-OD1 2.72Å; K84-D125 PolarHBondContact NZ-OD1 2.94Å; P91-D125 WeakPolarHBondContact CD-OD1 3.43Å; P91-D125 HydrophobicContact CG-CB 3.6Å; G121-D125 CarbonylContact O-C 3.47Å; G121-D125 WeakPolarHBondContact O-CB 3.47Å; G123-D125 PolarHBondContact O-N 3.44Å; G123-D125 VanDerWaalsContact O-N 3.09Å; D125-L127 VanDerWaalsContact C-N 3.27Å; D125-L127 PolarHBondContact O-N 3.32Å
126R93.8Very high95.9Very high199 Ų19947.7 Ų47.775%0.75125%0.247SC*.  trans61.621.2171.7-51.4-177.9179178.3-3.1116.1G123G123-R126 PolarHBondContact O-N 3.46Å; G123-R126 VanDerWaalsContact O-N 3.12Å
127L97Very high95.8Very high18 Ų1850.9 Ų50.99%0.09426%0.262CS..  trans-71.5154.6164.8-56.5179.5000109.9P91 Y93 L96 G121 C122 D125 V132P91-L127 HydrophobicContact CG-CD1 3.97Å; P91-L127 HydrophobicContact CG-CG 4.16Å; Y93-L127 HydrophobicContact CD1-CD1 4.29Å; Y93-L127 HydrophobicContact CD1-CD2 4.27Å; Y93-L127 HydrophobicContact CD2-CD2 4.35Å; Y93-L127 HydrophobicContact CE1-CB 3.96Å; Y93-L127 HydrophobicContact CE1-CD1 4.31Å; Y93-L127 HydrophobicContact CE1-CD2 3.99Å; Y93-L127 HydrophobicContact CE1-CG 4.31Å; Y93-L127 HydrophobicContact CE2-CD2 4.08Å; Y93-L127 HydrophobicContact CG-CD2 4.44Å; L96-L127 HydrophobicContact CB-CD1 4.43Å; L96-L127 HydrophobicContact CD2-CD1 3.67Å; G121-L127 WeakPolarHBondContact O-CB 3.32Å; G121-L127 WeakPolarHBondContact O-CG 3.34Å; G121-L127 PolarHBondContact O-N 3.05Å; C122-L127 VanDerWaalsContact CA-O 3.24Å; C122-L127 WeakPolarHBondContact CA-O 3.48Å; C122-L127 WeakPolarHBondContact CB-O 3.39Å; C122-L127 PolarHBondContact SG-O 3.34Å; C122-L127 VanDerWaalsContact SG-O 3.32Å; D125-L127 VanDerWaalsContact C-N 3.27Å; D125-L127 PolarHBondContact O-N 3.32Å; L127-V132 HydrophobicContact CB-CG2 3.86Å; L127-V132 HydrophobicContact CD1-CG2 4.23Å
128Q97.6Very high95.7Very high115 Ų11556.8 Ų56.854%0.53729%0.289SS..  trans-84.3131.3179.1-64.1176.931.100109.4Y93 E130 N131 V132Y93-Q128 PolarHBondContact OH-N 3.09Å; Y93-Q128 VanDerWaalsContact OH-N 3.11Å; Q128-E130 PolarHBondContact O-N 3.4Å; Q128-N131 PolarHBondContact O-N 3.33Å; Q128-V132 WeakPolarHBondContact O-CG2 3.24Å; Q128-V132 PolarHBondContact O-N 2.74Å; Q128-V132 VanDerWaalsContact O-N 3.09Å
129W97.5Very high95.7Very high22 Ų2256.1 Ų56.18%0.08329%0.285CS..Hα-helixtrans-63.4-35.8-174.4176.9-110.6000111.5Y16 R119 C122 N131 V132 S133 I136 V149Y16-W129 AromaticContact CE1-CE2 3.99Å; Y16-W129 AromaticContact CE1-CZ2 3.72Å; Y16-W129 HydrophobicContact CE1-CZ2 3.72Å; Y16-W129 AromaticContact CE1-NE1 3.69Å; Y16-W129 PolarHBondContact OH-NE1 3.49Å; R119-W129 VanDerWaalsContact CA-CZ3 3.46Å; R119-W129 HydrophobicContact CB-CD2 4.05Å; R119-W129 HydrophobicContact CB-CE3 3.59Å; R119-W129 HydrophobicContact CB-CZ3 3.88Å; R119-W129 HydrophobicContact CG-CD2 3.67Å; R119-W129 HydrophobicContact CG-CE3 3.72Å; R119-W129 HydrophobicContact CG-CG 4.24Å; R119-W129 HydrophobicContact CG-CH2 4.3Å; R119-W129 HydrophobicContact CG-CZ2 4.27Å; R119-W129 HydrophobicContact CG-CZ3 4.05Å; C122-W129 HydrophobicContact CB-CB 4.48Å; C122-W129 WeakPolarHBondContact SG-CA 3.4Å; W129-N131 VanDerWaalsContact C-N 3.29Å; W129-N131 PolarHBondContact O-N 3.34Å; W129-V132 HydrophobicContact CE3-CB 4.07Å; W129-V132 HydrophobicContact CE3-CG1 3.96Å; W129-V132 HydrophobicContact CZ3-CB 4.31Å; W129-V132 HydrophobicContact CZ3-CG1 3.7Å; W129-V132 CarbonylContact O-C 3.45Å; W129-V132 PolarHBondContact O-N 3.16Å; W129-V132 VanDerWaalsContact O-N 3.09Å; W129-S133 WeakPolarHBondContact O-CB 3.4Å; W129-S133 PolarHBondContact O-N 2.91Å; W129-S133 PolarHBondContact O-OG 2.93Å; W129-S133 VanDerWaalsContact O-OG 3.05Å; W129-I136 HydrophobicContact CH2-CD1 3.9Å; W129-I136 HydrophobicContact CZ3-CD1 4.1Å; W129-V149 HydrophobicContact CH2-CB 4.39Å; W129-V149 HydrophobicContact CH2-CG1 3.85Å; W129-V149 HydrophobicContact CH2-CG2 3.68Å; W129-V149 HydrophobicContact CZ2-CB 4.29Å; W129-V149 HydrophobicContact CZ2-CG1 3.77Å; W129-V149 HydrophobicContact CZ2-CG2 3.89Å
130E96.4Very high95.7Very high126 Ų12650.3 Ų50.359%0.58926%0.263SS*.Hα-helixtrans-57.4-43.2178.7-59.872-15700111.3Q128 S133 A134Q128-E130 PolarHBondContact O-N 3.4Å; E130-S133 PolarHBondContact O-OG 3.48Å; E130-S133 VanDerWaalsContact O-OG 3.12Å; E130-A134 WeakPolarHBondContact O-CB 3.24Å; E130-A134 PolarHBondContact O-N 3.47Å
131N97.6Very high95.7Very high73 Ų7357 Ų5739%0.3929%0.294SS..Hα-helixtrans-73.6-36.8176.6-64.9-27.1000111.9Y93 Q128 W129 M135Y93-N131 HydrophobicContact CD1-CB 4.4Å; Y93-N131 HydrophobicContact CE1-CB 3.59Å; Y93-N131 PolarHBondContact OH-ND2 3.11Å; Y93-N131 VanDerWaalsContact OH-ND2 3.11Å; Q128-N131 PolarHBondContact O-N 3.33Å; W129-N131 VanDerWaalsContact C-N 3.29Å; W129-N131 PolarHBondContact O-N 3.34Å; N131-M135 WeakPolarHBondContact O-CB 3.46Å; N131-M135 PolarHBondContact O-N 2.96Å; N131-M135 VanDerWaalsContact O-N 3.11Å
132V97.9Very high95.6Very high0 Ų061.6 Ų61.60%033%0.332CS..Hα-helixtrans-70.4-42.1179.91720000111.4Y93 L96 I120 L127 Q128 W129 M135 I136Y93-V132 HydrophobicContact CE1-CG2 4.25Å; L96-V132 HydrophobicContact CD2-CB 4.35Å; L96-V132 HydrophobicContact CD2-CG1 3.94Å; L96-V132 HydrophobicContact CD2-CG2 3.64Å; I120-V132 HydrophobicContact CG1-CG1 3.92Å; L127-V132 HydrophobicContact CB-CG2 3.86Å; L127-V132 HydrophobicContact CD1-CG2 4.23Å; Q128-V132 WeakPolarHBondContact O-CG2 3.24Å; Q128-V132 PolarHBondContact O-N 2.74Å; Q128-V132 VanDerWaalsContact O-N 3.09Å; W129-V132 HydrophobicContact CE3-CB 4.07Å; W129-V132 HydrophobicContact CE3-CG1 3.96Å; W129-V132 HydrophobicContact CZ3-CB 4.31Å; W129-V132 HydrophobicContact CZ3-CG1 3.7Å; W129-V132 CarbonylContact O-C 3.45Å; W129-V132 PolarHBondContact O-N 3.16Å; W129-V132 VanDerWaalsContact O-N 3.09Å; V132-M135 PolarHBondContact O-N 2.91Å; V132-I136 HydrophobicContact CG1-CD1 3.83Å; V132-I136 HydrophobicContact CG1-CG1 4.37Å; V132-I136 VanDerWaalsContact O-CG1 3.26Å; V132-I136 WeakPolarHBondContact O-CG1 3.21Å; V132-I136 PolarHBondContact O-N 3.46Å
133S97.4Very high95.9Very high17 Ų1761 Ų6112%0.11933%0.327CS..Hα-helixtrans-64.7-44.3178.257.70000111W129 E130 M135 I136 E137W129-S133 WeakPolarHBondContact O-CB 3.4Å; W129-S133 PolarHBondContact O-N 2.91Å; W129-S133 PolarHBondContact O-OG 2.93Å; W129-S133 VanDerWaalsContact O-OG 3.05Å; E130-S133 PolarHBondContact O-OG 3.48Å; E130-S133 VanDerWaalsContact O-OG 3.12Å; S133-M135 VanDerWaalsContact C-N 3.31Å; S133-M135 PolarHBondContact O-N 2.85Å; S133-I136 PolarHBondContact O-N 3.12Å; S133-I136 VanDerWaalsContact O-N 3.16Å; S133-E137 WeakPolarHBondContact O-CG 3.35Å; S133-E137 PolarHBondContact O-N 3.28Å
134A96.9Very high96.1Very high51 Ų5165.2 Ų65.242%0.42134%0.336SS..Hα-helixtrans-59-43.217500000111.8E130 I136 E137 E138E130-A134 WeakPolarHBondContact O-CB 3.24Å; E130-A134 PolarHBondContact O-N 3.47Å; A134-I136 PolarHBondContact O-N 3.09Å; A134-E137 PolarHBondContact O-N 3.29Å; A134-E138 WeakPolarHBondContact O-CB 3.42Å; A134-E138 PolarHBondContact O-N 3.01Å
135M97.6Very high96.4Very high15 Ų1560.1 Ų60.17%0.07431%0.309CS..Hα-helixtrans-64.1-38.8175.6179.6-171.7-67.200112.7Y93 L96 Q97 L100 N131 V132 S133 V139Y93-M135 HydrophobicContact CD1-CE 3.96Å; Y93-M135 HydrophobicContact CG-CE 4.4Å; Y93-M135 WeakPolarHBondContact O-CE 3.37Å; L96-M135 HydrophobicContact CB-SD 4.23Å; L96-M135 HydrophobicContact CD2-SD 4.06Å; L96-M135 HydrophobicContact CG-SD 3.91Å; Q97-M135 VanDerWaalsContact CA-SD 3.5Å; Q97-M135 HydrophobicContact CB-CE 3.96Å; Q97-M135 HydrophobicContact CB-CG 4.15Å; Q97-M135 HydrophobicContact CB-SD 3.58Å; Q97-M135 VanDerWaalsContact CB-SD 3.58Å; Q97-M135 HydrophobicContact CG-CG 4.22Å; Q97-M135 HydrophobicContact CG-SD 4.31Å; Q97-M135 PolarHBondContact N-SD 3.3Å; L100-M135 HydrophobicContact CD1-CG 3.95Å; L100-M135 HydrophobicContact CD1-SD 3.86Å; N131-M135 WeakPolarHBondContact O-CB 3.46Å; N131-M135 PolarHBondContact O-N 2.96Å; N131-M135 VanDerWaalsContact O-N 3.11Å; V132-M135 PolarHBondContact O-N 2.91Å; S133-M135 VanDerWaalsContact C-N 3.31Å; S133-M135 PolarHBondContact O-N 2.85Å; M135-V139 HydrophobicContact CG-CG2 4.48Å; M135-V139 WeakPolarHBondContact O-CB 3.45Å; M135-V139 VanDerWaalsContact O-CG2 3.24Å; M135-V139 WeakPolarHBondContact O-CG2 3.05Å; M135-V139 PolarHBondContact O-N 3.46Å
136I98.1Very high96.6Very high0 Ų065.7 Ų65.70%033%0.332CS..Hα-helixtrans-63.3-46.2174.9-70.3164000110I14 L100 M117 I120 W129 V132 S133 A134 V139 F140 I147I14-I136 HydrophobicContact CD1-CB 4.15Å; I14-I136 HydrophobicContact CD1-CG2 3.91Å; I14-I136 HydrophobicContact CG1-CG2 4.32Å; L100-I136 HydrophobicContact CD1-CG1 3.93Å; L100-I136 HydrophobicContact CD2-CG1 4.18Å; M117-I136 HydrophobicContact SD-CD1 4.07Å; I120-I136 HydrophobicContact CD1-CD1 3.89Å; I120-I136 HydrophobicContact CD1-CG1 4.32Å; I120-I136 HydrophobicContact CG1-CD1 4.04Å; W129-I136 HydrophobicContact CH2-CD1 3.9Å; W129-I136 HydrophobicContact CZ3-CD1 4.1Å; V132-I136 HydrophobicContact CG1-CD1 3.83Å; V132-I136 HydrophobicContact CG1-CG1 4.37Å; V132-I136 VanDerWaalsContact O-CG1 3.26Å; V132-I136 WeakPolarHBondContact O-CG1 3.21Å; V132-I136 PolarHBondContact O-N 3.46Å; S133-I136 PolarHBondContact O-N 3.12Å; S133-I136 VanDerWaalsContact O-N 3.16Å; A134-I136 PolarHBondContact O-N 3.09Å; I136-V139 PolarHBondContact O-N 2.68Å; I136-F140 HydrophobicContact CG2-CD2 4.36Å; I136-F140 WeakPolarHBondContact O-CD2 3.41Å; I136-F140 PolarHBondContact O-N 3.29Å; I136-F140 VanDerWaalsContact O-N 3.14Å; I136-I147 HydrophobicContact CG2-CD1 3.4Å; I136-I147 HydrophobicContact CG2-CG2 4.24Å
137E96.8Very high96.8Very high66 Ų6656.2 Ų56.231%0.30830%0.297SS..Hα-helixtrans-60.4-48.6177.6-71-178.7149.400111.4S12 I14 S133 A134 V139 F140 E141S12-E137 PolarHBondContact OG-OE1 3.43Å; I14-E137 HydrophobicContact CD1-CG 3.84Å; I14-E137 HydrophobicContact CG1-CG 3.95Å; S133-E137 WeakPolarHBondContact O-CG 3.35Å; S133-E137 PolarHBondContact O-N 3.28Å; A134-E137 PolarHBondContact O-N 3.29Å; E137-V139 PolarHBondContact O-N 3.38Å; E137-F140 CarbonylContact O-C 3.54Å; E137-F140 PolarHBondContact O-N 3.38Å; E137-E141 WeakPolarHBondContact O-CA 3.41Å; E137-E141 WeakPolarHBondContact O-CB 3.28Å; E137-E141 PolarHBondContact O-N 2.97Å
138E96.8Very high96.9Very high124 Ų12456.5 Ų56.558%0.57930%0.299SS*.Hα-helixtrans-58.6-48.6177.8-176.5-175.517400112A134 F140 E141A134-E138 WeakPolarHBondContact O-CB 3.42Å; A134-E138 PolarHBondContact O-N 3.01Å; E138-F140 VanDerWaalsContact C-N 3.27Å; E138-F140 PolarHBondContact O-N 2.86Å; E138-E141 PolarHBondContact O-N 3.47Å
139V97.9Very high96.9Very high6 Ų651 Ų514%0.03627%0.273CS..Hα-helixtrans-60.7-40.6-178.7169.20000110.8Q97 L100 E101 K104 M135 I136 E137Q97-V139 HydrophobicContact CG-CG2 4.3Å; L100-V139 HydrophobicContact CB-CB 4.44Å; L100-V139 HydrophobicContact CB-CG1 4.09Å; L100-V139 HydrophobicContact CB-CG2 4.16Å; E101-V139 HydrophobicContact CG-CG1 4.12Å; E101-V139 HydrophobicContact CG-CG2 4.01Å; K104-V139 HydrophobicContact CB-CG1 4.14Å; K104-V139 HydrophobicContact CD-CG1 4.07Å; K104-V139 WeakPolarHBondContact CD-O 3.47Å; K104-V139 WeakPolarHBondContact CE-O 3.49Å; K104-V139 PolarHBondContact NZ-O 3.06Å; M135-V139 HydrophobicContact CG-CG2 4.48Å; M135-V139 WeakPolarHBondContact O-CB 3.45Å; M135-V139 VanDerWaalsContact O-CG2 3.24Å; M135-V139 WeakPolarHBondContact O-CG2 3.05Å; M135-V139 PolarHBondContact O-N 3.46Å; I136-V139 PolarHBondContact O-N 2.68Å; E137-V139 PolarHBondContact O-N 3.38Å
140F97.3Very high97Very high0 Ų051.3 Ų51.30%028%0.275CS..Hα-helixtrans-98.42.2-173.1-72.5-89.5000114.9R13 L100 M103 K104 L115 I136 E137 E138 A142 T143 I145 I147R13-F140 VanDerWaalsContact CZ-O 3.31Å; R13-F140 PolarHBondContact NE-O 2.87Å; L100-F140 HydrophobicContact CD2-CE2 4.29Å; M103-F140 HydrophobicContact CE-CE2 3.86Å; M103-F140 HydrophobicContact CE-CZ 3.54Å; K104-F140 HydrophobicContact CB-CD1 4.29Å; K104-F140 HydrophobicContact CB-CE1 3.67Å; K104-F140 HydrophobicContact CB-CE2 4.49Å; K104-F140 HydrophobicContact CB-CZ 3.77Å; K104-F140 HydrophobicContact CD-CD1 4.49Å; K104-F140 HydrophobicContact CG-CD1 4.25Å; K104-F140 HydrophobicContact CG-CE1 4.04Å; L115-F140 HydrophobicContact CD1-CE1 3.88Å; L115-F140 HydrophobicContact CD1-CZ 3.91Å; I136-F140 HydrophobicContact CG2-CD2 4.36Å; I136-F140 WeakPolarHBondContact O-CD2 3.41Å; I136-F140 PolarHBondContact O-N 3.29Å; I136-F140 VanDerWaalsContact O-N 3.14Å; E137-F140 CarbonylContact O-C 3.54Å; E137-F140 PolarHBondContact O-N 3.38Å; E138-F140 VanDerWaalsContact C-N 3.27Å; E138-F140 PolarHBondContact O-N 2.86Å; F140-A142 VanDerWaalsContact C-N 3.35Å; F140-A142 PolarHBondContact O-N 3.48Å; F140-T143 PolarHBondContact O-N 3.22Å; F140-T143 VanDerWaalsContact O-N 3.14Å; F140-T143 PolarHBondContact O-OG1 3.14Å; F140-I145 HydrophobicContact CD1-CB 3.97Å; F140-I145 HydrophobicContact CD1-CD1 3.85Å; F140-I145 HydrophobicContact CD1-CG1 4.47Å; F140-I145 HydrophobicContact CD1-CG2 4.08Å; F140-I145 HydrophobicContact CE1-CB 4.42Å; F140-I145 HydrophobicContact CE1-CD1 3.76Å; F140-I145 HydrophobicContact CE1-CG2 4.16Å; F140-I147 HydrophobicContact CB-CD1 3.96Å; F140-I147 HydrophobicContact CD1-CD1 4.2Å; F140-I147 HydrophobicContact CD2-CD1 3.61Å; F140-I147 HydrophobicContact CE2-CD1 4.15Å; F140-I147 HydrophobicContact CG-CD1 3.66Å
141E94.8Very high96.9Very high145 Ų14547.3 Ų47.368%0.67826%0.259SS*.THydrogen-bonded Turntrans-49.2-51.2-174.8-175.1-179.1-14600112.6R13 E137 E138 T143R13-E141 PolarHBondContact NH2-O 2.85Å; E137-E141 WeakPolarHBondContact O-CA 3.41Å; E137-E141 WeakPolarHBondContact O-CB 3.28Å; E137-E141 PolarHBondContact O-N 2.97Å; E138-E141 PolarHBondContact O-N 3.47Å; E141-T143 VanDerWaalsContact C-N 3.28Å; E141-T143 PolarHBondContact O-N 3.45Å
142A92.4Very high96.6Very high102 Ų10252.6 Ų52.684%0.84329%0.287SS*.THydrogen-bonded Turntrans-88.233.2-176.700000114.2F140F140-A142 VanDerWaalsContact C-N 3.35Å; F140-A142 PolarHBondContact O-N 3.48Å
143T95.9Very high96.6Very high11 Ų1155.3 Ų55.37%0.06730%0.301CS..SBendtrans-129.5171.3179.173.10000111.3R13 K104 L108 F140 E141 I145R13-T143 PolarHBondContact NH1-O 3.38Å; R13-T143 PolarHBondContact NH2-O 3.41Å; K104-T143 HydrophobicContact CD-CG2 3.81Å; K104-T143 HydrophobicContact CG-CG2 4.1Å; L108-T143 HydrophobicContact CD1-CG2 4.28Å; L108-T143 HydrophobicContact CD2-CG2 4.06Å; F140-T143 PolarHBondContact O-N 3.22Å; F140-T143 VanDerWaalsContact O-N 3.14Å; F140-T143 PolarHBondContact O-OG1 3.14Å; E141-T143 VanDerWaalsContact C-N 3.28Å; E141-T143 PolarHBondContact O-N 3.45Å; T143-I145 VanDerWaalsContact C-N 3.34Å; T143-I145 HydrophobicContact CG2-CD1 4.42Å; T143-I145 PolarHBondContact OG1-N 3.01Å
144D94.9Very high96.5Very high148 Ų14857.3 Ų57.379%0.79131%0.31SS*.  trans-99.616.9168.1-66.5-42.3000112.2K146D144-K146 PolarHBondContact O-N 3.24Å
145I97.4Very high96.5Very high4 Ų457.6 Ų57.62%0.02130%0.304CS..  trans-76.3121-176.4-58.7172.4000109.2R13 C107 L108 V112 T113 L115 F140 T143 I147R13-I145 PolarHBondContact NH1-O 3.29Å; C107-I145 HydrophobicContact CB-CD1 3.5Å; L108-I145 HydrophobicContact CD2-CD1 4.14Å; L108-I145 HydrophobicContact CG-CD1 4.46Å; V112-I145 WeakPolarHBondContact O-CG1 3.45Å; T113-I145 CarbonylContact O-C 3.51Å; T113-I145 VanDerWaalsContact O-CA 3.31Å; T113-I145 WeakPolarHBondContact O-CA 3.4Å; L115-I145 HydrophobicContact CD1-CG2 3.7Å; L115-I145 HydrophobicContact CG-CG2 3.86Å; F140-I145 HydrophobicContact CD1-CB 3.97Å; F140-I145 HydrophobicContact CD1-CD1 3.85Å; F140-I145 HydrophobicContact CD1-CG1 4.47Å; F140-I145 HydrophobicContact CD1-CG2 4.08Å; F140-I145 HydrophobicContact CE1-CB 4.42Å; F140-I145 HydrophobicContact CE1-CD1 3.76Å; F140-I145 HydrophobicContact CE1-CG2 4.16Å; T143-I145 VanDerWaalsContact C-N 3.34Å; T143-I145 HydrophobicContact CG2-CD1 4.42Å; T143-I145 PolarHBondContact OG1-N 3.01Å; I145-I147 HydrophobicContact CG2-CG1 4.43Å
146K97.1Very high96.4Very high137 Ų13760.1 Ų60.160%0.59632%0.318SS*.EExtended strand (participates in β ladder)trans-85.6134.9174.7-62177.4-171.2166.90109.6T113 L115 D144T113-K146 PolarHBondContact O-N 3.3Å; L115-K146 PolarHBondContact N-O 3.25Å; D144-K146 PolarHBondContact O-N 3.24Å
147I98.4Very high96.3Very high1 Ų163.9 Ų63.91%0.00534%0.338CS..EExtended strand (participates in β ladder)trans-120.5122.3-178.1-62.4179.6000108.8I14 T15 L115 M117 I136 F140 I145 V149I14-I147 WeakPolarHBondContact CA-O 3.48Å; I14-I147 HydrophobicContact CG1-CG2 4.41Å; T15-I147 PolarHBondContact N-O 3.43Å; L115-I147 HydrophobicContact CB-CG1 4.34Å; L115-I147 HydrophobicContact CD1-CG1 4.45Å; L115-I147 CarbonylContact O-C 3Å; L115-I147 WeakPolarHBondContact O-CA 3.43Å; M117-I147 HydrophobicContact CE-CG2 3.76Å; M117-I147 HydrophobicContact CG-CG2 4.42Å; M117-I147 HydrophobicContact SD-CG2 4.11Å; I136-I147 HydrophobicContact CG2-CD1 3.4Å; I136-I147 HydrophobicContact CG2-CG2 4.24Å; F140-I147 HydrophobicContact CB-CD1 3.96Å; F140-I147 HydrophobicContact CD1-CD1 4.2Å; F140-I147 HydrophobicContact CD2-CD1 3.61Å; F140-I147 HydrophobicContact CE2-CD1 4.15Å; F140-I147 HydrophobicContact CG-CD1 3.66Å; I145-I147 HydrophobicContact CG2-CG1 4.43Å; I147-V149 HydrophobicContact CG2-CG2 4.29Å
148T98.3Very high96.3Very high23 Ų2363.7 Ų63.714%0.14134%0.34CS..EExtended strand (participates in β ladder)trans-111.3123.6173.4-52.60000109.9T15 V17 L115 S116 M117 Y150T15-T148 CarbonylContact O-C 3.57Å; T15-T148 VanDerWaalsContact O-CA 3.27Å; T15-T148 WeakPolarHBondContact O-CA 3.38Å; V17-T148 HydrophobicContact CB-CG2 4.16Å; V17-T148 HydrophobicContact CG2-CG2 3.49Å; V17-T148 VanDerWaalsContact CG2-CG2 3.49Å; L115-T148 PolarHBondContact O-N 3.34Å; S116-T148 WeakPolarHBondContact CA-O 3.46Å; M117-T148 PolarHBondContact N-O 3.09Å; T148-Y150 HydrophobicContact CG2-CD2 3.96Å; T148-Y150 HydrophobicContact CG2-CE2 3.36Å
149V98.4Very high96.3Very high0 Ų059.4 Ų59.40%032%0.323CS..EExtended strand (participates in β ladder)trans-103.1120.6178172.70000110.2I14 T15 Y16 V17 M117 R119 W129 I147I14-V149 HydrophobicContact CG2-CB 3.92Å; I14-V149 HydrophobicContact CG2-CG2 3.45Å; I14-V149 VanDerWaalsContact CG2-CG2 3.45Å; T15-V149 PolarHBondContact O-N 3.11Å; Y16-V149 HydrophobicContact CD1-CB 3.93Å; Y16-V149 HydrophobicContact CD1-CG1 4.04Å; Y16-V149 HydrophobicContact CE1-CB 4.04Å; Y16-V149 HydrophobicContact CE1-CG1 4.07Å; V17-V149 PolarHBondContact N-O 3.27Å; M117-V149 HydrophobicContact CG-CG2 4Å; M117-V149 CarbonylContact O-C 3.6Å; M117-V149 VanDerWaalsContact O-CA 3.29Å; M117-V149 WeakPolarHBondContact O-CA 3.46Å; R119-V149 HydrophobicContact CG-CG1 4.04Å; W129-V149 HydrophobicContact CH2-CB 4.39Å; W129-V149 HydrophobicContact CH2-CG1 3.85Å; W129-V149 HydrophobicContact CH2-CG2 3.68Å; W129-V149 HydrophobicContact CZ2-CB 4.29Å; W129-V149 HydrophobicContact CZ2-CG1 3.77Å; W129-V149 HydrophobicContact CZ2-CG2 3.89Å; I147-V149 HydrophobicContact CG2-CG2 4.29Å
150Y98.2Very high96.1Very high28 Ų2863.5 Ų63.511%0.1135%0.345CS..EExtended strand (participates in β ladder)trans-96.8137.6179.5-73.3-105.8000111.8V17 L21 C24 S116 M117 T148V17-Y150 HydrophobicContact CB-CD1 4Å; V17-Y150 HydrophobicContact CB-CE1 3.91Å; V17-Y150 HydrophobicContact CB-CG 4.38Å; V17-Y150 HydrophobicContact CG1-CD1 3.79Å; V17-Y150 HydrophobicContact CG1-CE1 3.52Å; V17-Y150 WeakPolarHBondContact O-CA 3.41Å; L21-Y150 HydrophobicContact CB-CG 4.22Å; L21-Y150 HydrophobicContact CD1-CD2 3.6Å; L21-Y150 HydrophobicContact CD1-CE2 4.31Å; L21-Y150 HydrophobicContact CD1-CG 3.98Å; C24-Y150 WeakPolarHBondContact CA-OH 3.44Å; C24-Y150 HydrophobicContact CB-CE1 4.4Å; C24-Y150 HydrophobicContact CB-CE2 3.91Å; C24-Y150 WeakPolarHBondContact CB-OH 3.46Å; S116-Y150 WeakPolarHBondContact OG-CE2 3.4Å; M117-Y150 PolarHBondContact O-N 2.66Å; T148-Y150 HydrophobicContact CG2-CD2 3.96Å; T148-Y150 HydrophobicContact CG2-CE2 3.36Å
151T95.7Very high96Very high43 Ų4368.8 Ų68.826%0.26437%0.373SS..EExtended strand (participates in β ladder)trans-134.5146.5173.554.60000110.3V17 K18 G19 R119V17-T151 PolarHBondContact O-N 3.1Å; K18-T151 CarbonylContact C-O 3.54Å; K18-T151 VanDerWaalsContact CA-O 3.28Å; K18-T151 WeakPolarHBondContact CA-O 3.36Å; G19-T151 PolarHBondContact N-O 3.11Å; R119-T151 HydrophobicContact CG-CG2 3.98Å
152L91Very high96.2Very high184 Ų18461.9 Ų61.996%0.96335%0.346SS*.  trans-86.90174.6-67174.9000111K18K18-L152 WeakPolarHBondContact CE-OXT 3.45Å

Retrieved 152 of 152 residues in 87.6 ms (Link to these results)

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