RL23_STAA8 Loading...

Large ribosomal subunit protein uL23

One of the early assembly proteins it binds 23S rRNA. One of the proteins that surrounds the polypeptide exit tunnel on the outside of the ribosome. Forms the main docking site for trigger factor binding to the ribosome.

AlphaFold DB , UniProt , Accession Q2FW08, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene rplW, Length 91 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
1M75.2Confident90.4Very high110 Ų11082 Ų8254%0.54237%0.374SS..  0115.90-173.4178.5-73.400105D5 I6 V33M1-D5 HydrophobicContact CG-CB 3.65Å; M1-I6 HydrophobicContact CG-CG1 3.87Å; M1-I6 HydrophobicContact SD-CG1 3.69Å; M1-V33 HydrophobicContact CE-CG2 4.49Å; M1-V33 HydrophobicContact SD-CG2 3.5Å; M1-V33 WeakPolarHBondContact SD-CG2 3.14Å
2E87.4Confident90.5Very high134 Ų13482.3 Ų82.363%0.62638%0.379SS*.  trans-75.6160.2-175.4-62-176.3174.700110.2R4 D5 I6E2-R4 PolarHBondContact O-N 2.99Å; E2-D5 PolarHBondContact N-OD2 3.28Å; E2-D5 VanDerWaalsContact N-OD2 3.17Å; E2-D5 WeakPolarHBondContact O-CB 3.35Å; E2-D5 PolarHBondContact O-N 2.98Å; E2-I6 PolarHBondContact O-N 3.07Å
3A87.9Confident90.8Very high8 Ų880.6 Ų80.67%0.06638%0.379CS..Hα-helixtrans-54.5-36177.100000112.1D5 I6 L7 A41 E44 I45A3-D5 PolarHBondContact O-N 3.42Å; A3-I6 WeakPolarHBondContact O-CB 3.34Å; A3-I6 PolarHBondContact O-N 2.83Å; A3-L7 PolarHBondContact O-N 2.85Å; A3-A41 HydrophobicContact CB-CB 3.86Å; A3-E44 HydrophobicContact CB-CB 4.42Å; A3-E44 HydrophobicContact CB-CG 4.42Å; A3-I45 HydrophobicContact CB-CD1 3.84Å; A3-I45 HydrophobicContact CB-CG1 3.93Å; A3-I45 WeakPolarHBondContact O-CD1 3.38Å
4R89.9Confident91Very high205 Ų20585.9 Ų85.977%0.77440%0.404SS*.Hα-helixtrans-69.5-27.8178.5-68177.1171.3165.3-3113.9E2 I6 I45E2-R4 PolarHBondContact O-N 2.99Å; R4-I6 VanDerWaalsContact C-N 3.35Å; R4-I45 HydrophobicContact CG-CD1 4.43Å
5D91.6Very high91.2Very high89 Ų8991.1 Ų91.148%0.47642%0.424SS..Hα-helixtrans-76.6-28.2173.6-63.3-39.7000111.9M1 E2 A3M1-D5 HydrophobicContact CG-CB 3.65Å; E2-D5 PolarHBondContact N-OD2 3.28Å; E2-D5 VanDerWaalsContact N-OD2 3.17Å; E2-D5 WeakPolarHBondContact O-CB 3.35Å; E2-D5 PolarHBondContact O-N 2.98Å; A3-D5 PolarHBondContact O-N 3.42Å
6I95Very high91.1Very high10 Ų1085.8 Ų85.85%0.05140%0.4CS..Hα-helixtrans-73.2-50.8-177.7-70.3165.1000110.5M1 E2 A3 R4 V29 D30 V33 Q37 V38 A41M1-I6 HydrophobicContact CG-CG1 3.87Å; M1-I6 HydrophobicContact SD-CG1 3.69Å; E2-I6 PolarHBondContact O-N 3.07Å; A3-I6 WeakPolarHBondContact O-CB 3.34Å; A3-I6 PolarHBondContact O-N 2.83Å; R4-I6 VanDerWaalsContact C-N 3.35Å; I6-V29 CarbonylContact O-C 3.57Å; I6-V29 WeakPolarHBondContact O-CA 3.07Å; I6-V29 WeakPolarHBondContact O-CB 3.34Å; I6-D30 PolarHBondContact O-N 2.87Å; I6-V33 HydrophobicContact CB-CG2 4.4Å; I6-V33 HydrophobicContact CG1-CG1 4.35Å; I6-V33 HydrophobicContact CG1-CG2 3.9Å; I6-V33 HydrophobicContact CG2-CG1 3.74Å; I6-V33 HydrophobicContact CG2-CG2 4.21Å; I6-Q37 HydrophobicContact CD1-CB 4.09Å; I6-V38 HydrophobicContact CG2-CG2 4.25Å; I6-A41 HydrophobicContact CB-CB 3.97Å; I6-A41 HydrophobicContact CD1-CB 4.08Å; I6-A41 HydrophobicContact CG2-CB 3.79Å
7L93.4Very high91.1Very high19 Ų1983.8 Ų83.810%0.09940%0.398CS..EExtended strand (participates in β ladder)trans-92.6103.8179.6-60.8-173.6000110.3A3 F27 V29 V38 A41 V42 I45 F46A3-L7 PolarHBondContact O-N 2.85Å; L7-F27 HydrophobicContact CD2-CB 4.33Å; L7-F27 HydrophobicContact CD2-CG 4.49Å; L7-V29 HydrophobicContact CD2-CG1 3.78Å; L7-V38 HydrophobicContact CD2-CG1 4.25Å; L7-A41 HydrophobicContact CD1-CB 4.43Å; L7-A41 HydrophobicContact CG-CB 4.13Å; L7-V42 HydrophobicContact CD1-CB 4.38Å; L7-V42 HydrophobicContact CD1-CG2 3.6Å; L7-V42 HydrophobicContact CD2-CG2 3.94Å; L7-V42 HydrophobicContact CG-CG2 4.37Å; L7-I45 HydrophobicContact CB-CD1 4.3Å; L7-I45 HydrophobicContact CD1-CD1 3.8Å; L7-I45 HydrophobicContact CG-CD1 4.25Å; L7-F46 HydrophobicContact CD1-CE2 3.99Å
8K93.4Very high91.3Very high119 Ų11986.8 Ų86.852%0.51741%0.412SS..EExtended strand (participates in β ladder)trans-79.7-43.4-174.3-64.4-171.6174.3-179.80112.9D28 D30K8-D28 HydrophobicContact CB-CB 4.4Å; K8-D28 WeakPolarHBondContact CB-O 3.4Å; K8-D28 PolarHBondContact N-O 3.04Å; K8-D30 VanDerWaalsContact CE-OD2 3.31Å; K8-D30 WeakPolarHBondContact CE-OD2 3.38Å; K8-D30 IonicContact NZ-OD2 3Å; K8-D30 PolarHBondContact NZ-OD2 2.76Å
9R92.5Very high91.4Very high139 Ų13983.3 Ų83.353%0.52540%0.399SS..EExtended strand (participates in β ladder)trans-170.8155178.357.8179.3-179.8-172.50.9111.4F27 D28R9-F27 WeakPolarHBondContact O-CA 3.44Å; R9-D28 HydrophobicContact CG-CB 3.83Å; R9-D28 IonicContact CZ-OD2 2.67Å; R9-D28 IonicContact NE-OD2 3.1Å; R9-D28 PolarHBondContact NE-OD2 3.06Å; R9-D28 IonicContact NH2-OD2 2.76Å; R9-D28 PolarHBondContact NH2-OD2 2.9Å; R9-D28 PolarHBondContact O-N 3.43Å
10P94.1Very high91.4Very high51 Ų5180.6 Ų80.633%0.33139%0.386SS..EExtended strand (participates in β ladder)trans-66.4152.2163.828.9-33.1000111.4F27 L89P10-F27 HydrophobicContact CB-CD1 4.16Å; P10-F27 HydrophobicContact CB-CE1 4.11Å; P10-L89 HydrophobicContact CB-CD1 3.94Å; P10-L89 HydrophobicContact CB-CD2 3.73Å; P10-L89 HydrophobicContact CB-CG 4.29Å; P10-L89 HydrophobicContact CG-CD2 4.19Å
11V93.8Very high91.3Very high18 Ų1881.1 Ų81.111%0.10940%0.403CS..  trans-107.8112.7172.8177.60000107.3T13 S16 T26 D28V11-T13 HydrophobicContact CG1-CG2 4.11Å; V11-S16 WeakPolarHBondContact O-CB 3.33Å; V11-S16 PolarHBondContact O-OG 3.39Å; V11-T26 HydrophobicContact CB-CG2 3.84Å; V11-T26 HydrophobicContact CG1-CG2 4.34Å; V11-T26 HydrophobicContact CG2-CG2 4.27Å; V11-T26 PolarHBondContact N-O 3.46Å; V11-D28 HydrophobicContact CG2-CB 4.35Å
12I92.1Very high92.1Very high85 Ų8581.4 Ų81.444%0.43640%0.403SS..  trans-109.6118178.7-54174.5000107.7F90I12-F90 HydrophobicContact CD1-CD1 4.38Å; I12-F90 HydrophobicContact CD1-CE1 4.23Å; I12-F90 HydrophobicContact CG2-CE1 4.34Å
13T94.4Very high92.4Very high61 Ų6178.7 Ų78.737%0.37439%0.393SS..  trans-153.4159.4-177.854.40000106.6V11 K15 S16 S17V11-T13 HydrophobicContact CG1-CG2 4.11Å; T13-K15 VanDerWaalsContact C-N 3.25Å; T13-K15 PolarHBondContact O-N 3.34Å; T13-S16 PolarHBondContact N-OG 3.37Å; T13-S16 PolarHBondContact O-N 3.03Å; T13-S16 PolarHBondContact O-OG 2.94Å; T13-S16 WeakPolarHBondContact OG1-CB 3.38Å; T13-S16 PolarHBondContact OG1-N 3.43Å; T13-S16 PolarHBondContact OG1-OG 3.13Å; T13-S17 PolarHBondContact O-N 3.24Å; T13-S17 PolarHBondContact O-OG 3.41Å; T13-S17 VanDerWaalsContact O-OG 3.1Å
14E93.7Very high92.8Very high155 Ų15581.4 Ų81.472%0.72440%0.404SS*.Hα-helixtrans-52.9-47.8178.8-6081178.800110.6S16 S17 E18E14-S16 PolarHBondContact O-N 3.28Å; E14-S17 WeakPolarHBondContact O-CB 3.26Å; E14-S17 PolarHBondContact O-N 3.4Å; E14-S17 VanDerWaalsContact O-N 3.16Å; E14-E18 WeakPolarHBondContact O-CG 3.27Å; E14-E18 PolarHBondContact O-N 3.22Å
15K93.2Very high93.1Very high164 Ų16472.3 Ų72.371%0.71337%0.369SS*.Hα-helixtrans-61.1-39.3176.7-179.6169.9-175.6163.30113.9T13 S17 A19T13-K15 VanDerWaalsContact C-N 3.25Å; T13-K15 PolarHBondContact O-N 3.34Å; K15-S17 VanDerWaalsContact C-N 3.35Å; K15-A19 PolarHBondContact O-N 3.11Å; K15-A19 VanDerWaalsContact O-N 3.16Å
16S90.6Very high93.3Very high5 Ų568.3 Ų68.34%0.03535%0.348CS..Hα-helixtrans-73.3-32.817858.20000111.2V11 T13 E14 A19 M20V11-S16 WeakPolarHBondContact O-CB 3.33Å; V11-S16 PolarHBondContact O-OG 3.39Å; T13-S16 PolarHBondContact N-OG 3.37Å; T13-S16 PolarHBondContact O-N 3.03Å; T13-S16 PolarHBondContact O-OG 2.94Å; T13-S16 WeakPolarHBondContact OG1-CB 3.38Å; T13-S16 PolarHBondContact OG1-N 3.43Å; T13-S16 PolarHBondContact OG1-OG 3.13Å; E14-S16 PolarHBondContact O-N 3.28Å; S16-A19 PolarHBondContact O-N 3Å; S16-M20 WeakPolarHBondContact O-CG 3.42Å; S16-M20 PolarHBondContact O-N 3.37Å; S16-M20 VanDerWaalsContact O-N 3.07Å
17S90.5Very high93.3Very high52 Ų5268 Ų6836%0.36435%0.347SS..Hα-helixtrans-66.5-41.3174.8-57.50000111.4T13 E14 K15 A19 M20T13-S17 PolarHBondContact O-N 3.24Å; T13-S17 PolarHBondContact O-OG 3.41Å; T13-S17 VanDerWaalsContact O-OG 3.1Å; E14-S17 WeakPolarHBondContact O-CB 3.26Å; E14-S17 PolarHBondContact O-N 3.4Å; E14-S17 VanDerWaalsContact O-N 3.16Å; K15-S17 VanDerWaalsContact C-N 3.35Å; S17-A19 VanDerWaalsContact C-N 3.3Å; S17-A19 PolarHBondContact O-N 2.81Å; S17-M20 WeakPolarHBondContact O-CB 3.41Å; S17-M20 PolarHBondContact O-N 3.03Å
18E94.2Very high93.4Very high139 Ų13967.5 Ų67.565%0.6534%0.344SS*.Hα-helixtrans-57.3-45.1170.3-72.2170.5-175.200111.3E14 M20 A21E14-E18 WeakPolarHBondContact O-CG 3.27Å; E14-E18 PolarHBondContact O-N 3.22Å; E18-M20 PolarHBondContact O-N 3.23Å; E18-A21 WeakPolarHBondContact O-CB 3.3Å; E18-A21 PolarHBondContact O-N 2.98Å; E18-A21 VanDerWaalsContact O-N 3.16Å
19A93.5Very high93.6Very high20 Ų2062 Ų6217%0.16532%0.32CS..Hα-helixtrans-65.8-24.5179.400000113.4K15 S16 S17 A21 E22 K24K15-A19 PolarHBondContact O-N 3.11Å; K15-A19 VanDerWaalsContact O-N 3.16Å; S16-A19 PolarHBondContact O-N 3Å; S17-A19 VanDerWaalsContact C-N 3.3Å; S17-A19 PolarHBondContact O-N 2.81Å; A19-A21 PolarHBondContact O-N 2.84Å; A19-E22 CarbonylContact O-C 3.57Å; A19-E22 PolarHBondContact O-N 3.08Å; A19-K24 CarbonylContact C-O 3.51Å; A19-K24 HydrophobicContact CB-CB 4.05Å; A19-K24 WeakPolarHBondContact O-CB 3.42Å; A19-K24 PolarHBondContact O-N 3.1Å; A19-K24 VanDerWaalsContact O-N 3.08Å
20M91Very high93.8Very high29 Ų2956 Ų5614%0.14330%0.299CS..Hα-helixtrans-64.7-27.9175.5-69.6174.7-159.100112.1S16 S17 E18 E22 D23 Y25 L89S16-M20 WeakPolarHBondContact O-CG 3.42Å; S16-M20 PolarHBondContact O-N 3.37Å; S16-M20 VanDerWaalsContact O-N 3.07Å; S17-M20 WeakPolarHBondContact O-CB 3.41Å; S17-M20 PolarHBondContact O-N 3.03Å; E18-M20 PolarHBondContact O-N 3.23Å; M20-E22 PolarHBondContact O-N 2.88Å; M20-D23 PolarHBondContact O-N 3.14Å; M20-D23 VanDerWaalsContact O-N 3.1Å; M20-Y25 HydrophobicContact CG-CD1 4.04Å; M20-Y25 HydrophobicContact CG-CE1 3.98Å; M20-Y25 HydrophobicContact SD-CE1 4.34Å; M20-L89 HydrophobicContact CE-CD1 3.58Å; M20-L89 HydrophobicContact SD-CD1 4.4Å
21A89.3Confident93.8Very high91 Ų9155.4 Ų55.475%0.75229%0.294SS*.THydrogen-bonded Turntrans-66.3-18.2173.900000112.9E18 A19E18-A21 WeakPolarHBondContact O-CB 3.3Å; E18-A21 PolarHBondContact O-N 2.98Å; E18-A21 VanDerWaalsContact O-N 3.16Å; A19-A21 PolarHBondContact O-N 2.84Å
22E92.4Very high93.7Very high116 Ų11663.7 Ų63.754%0.54232%0.324SS..THydrogen-bonded Turntrans-104.523.6174.4-59.7175.3-129.800112.2A19 M20 K24A19-E22 CarbonylContact O-C 3.57Å; A19-E22 PolarHBondContact O-N 3.08Å; M20-E22 PolarHBondContact O-N 2.88Å; E22-K24 HydrophobicContact CB-CD 4.22Å; E22-K24 PolarHBondContact O-N 3.1Å; E22-K24 VanDerWaalsContact O-N 3.14Å; E22-K24 IonicContact OE2-NZ 3.96Å; E22-K24 PolarHBondContact OE2-NZ 3.41Å
23D94Very high93.8Very high77 Ų7759.7 Ų59.741%0.41230%0.303SS..THydrogen-bonded Turntrans56.728.8-178.3-56.3-50.7000114M20 T81 L82M20-D23 PolarHBondContact O-N 3.14Å; M20-D23 VanDerWaalsContact O-N 3.1Å; D23-T81 WeakPolarHBondContact O-CA 3.34Å; D23-L82 PolarHBondContact O-N 2.81Å
24K95.6Very high93.8Very high65 Ų6560.4 Ų60.428%0.28331%0.305SS..EExtended strand (participates in β ladder)trans-107.3113.3178.1-68.3164.4-171.6163.90110.9A19 E22 I79 V80 T81A19-K24 CarbonylContact C-O 3.51Å; A19-K24 HydrophobicContact CB-CB 4.05Å; A19-K24 WeakPolarHBondContact O-CB 3.42Å; A19-K24 PolarHBondContact O-N 3.1Å; A19-K24 VanDerWaalsContact O-N 3.08Å; E22-K24 HydrophobicContact CB-CD 4.22Å; E22-K24 PolarHBondContact O-N 3.1Å; E22-K24 VanDerWaalsContact O-N 3.14Å; E22-K24 IonicContact OE2-NZ 3.96Å; E22-K24 PolarHBondContact OE2-NZ 3.41Å; K24-I79 HydrophobicContact CB-CG2 3.99Å; K24-I79 HydrophobicContact CG-CG2 4.37Å; K24-V80 CarbonylContact C-O 3.59Å; K24-V80 WeakPolarHBondContact CA-O 3.41Å; K24-T81 HydrophobicContact CG-CG2 4.29Å
25Y95.9Very high93.9Very high14 Ų1458 Ų586%0.05529%0.292CS..EExtended strand (participates in β ladder)trans-104.4138.6179.6-65.7-88.1000111.3M20 I79 V80 L82 S86 I87 L89M20-Y25 HydrophobicContact CG-CD1 4.04Å; M20-Y25 HydrophobicContact CG-CE1 3.98Å; M20-Y25 HydrophobicContact SD-CE1 4.34Å; Y25-I79 CarbonylContact O-C 3.54Å; Y25-I79 WeakPolarHBondContact O-CA 3.38Å; Y25-V80 PolarHBondContact N-O 3.46Å; Y25-V80 PolarHBondContact O-N 2.86Å; Y25-L82 HydrophobicContact CD2-CD1 3.62Å; Y25-L82 HydrophobicContact CD2-CG 3.85Å; Y25-L82 HydrophobicContact CE2-CD1 3.41Å; Y25-L82 VanDerWaalsContact CE2-CD1 3.41Å; Y25-L82 HydrophobicContact CE2-CG 4.03Å; Y25-S86 WeakPolarHBondContact OH-CA 3.3Å; Y25-S86 WeakPolarHBondContact OH-CB 3.49Å; Y25-I87 HydrophobicContact CD1-CB 4.05Å; Y25-I87 HydrophobicContact CD2-CD1 4.2Å; Y25-I87 HydrophobicContact CE1-CB 3.9Å; Y25-I87 VanDerWaalsContact CE1-O 3.31Å; Y25-I87 WeakPolarHBondContact CE1-O 3.29Å; Y25-I87 HydrophobicContact CE2-CB 4.46Å; Y25-I87 HydrophobicContact CG-CB 4.37Å; Y25-I87 HydrophobicContact CG-CD1 4.13Å; Y25-I87 PolarHBondContact OH-N 2.86Å; Y25-I87 VanDerWaalsContact OH-N 3.13Å; Y25-L89 HydrophobicContact CD1-CD1 3.68Å; Y25-L89 HydrophobicContact CD1-CG 4.21Å; Y25-L89 HydrophobicContact CE1-CD1 4.31Å
26T96.1Very high94Very high6 Ų654.5 Ų54.54%0.03728%0.284CS..EExtended strand (participates in β ladder)trans-112.3127.1-175.1-55.50000111V11 K77 A78 I79V11-T26 HydrophobicContact CB-CG2 3.84Å; V11-T26 HydrophobicContact CG1-CG2 4.34Å; V11-T26 HydrophobicContact CG2-CG2 4.27Å; V11-T26 PolarHBondContact N-O 3.46Å; T26-K77 HydrophobicContact CG2-CD 3.44Å; T26-K77 VanDerWaalsContact CG2-CD 3.44Å; T26-K77 HydrophobicContact CG2-CG 3.4Å; T26-K77 VanDerWaalsContact CG2-CG 3.4Å; T26-A78 CarbonylContact C-O 3.57Å; T26-A78 WeakPolarHBondContact CA-O 3.46Å; T26-I79 HydrophobicContact CG2-CG1 4.23Å
27F96.1Very high94.3Very high3 Ų357.6 Ų57.61%0.01330%0.298CS..EExtended strand (participates in β ladder)trans-126.8143.5-179.8-61.3-82.7000111.6L7 R9 P10 V29 F46 K77 A78 V80 I87 L89L7-F27 HydrophobicContact CD2-CB 4.33Å; L7-F27 HydrophobicContact CD2-CG 4.49Å; R9-F27 WeakPolarHBondContact O-CA 3.44Å; P10-F27 HydrophobicContact CB-CD1 4.16Å; P10-F27 HydrophobicContact CB-CE1 4.11Å; F27-V29 HydrophobicContact CB-CG1 4.23Å; F27-F46 AromaticContact CE1-CE2 3.95Å; F27-F46 HydrophobicContact CE1-CE2 3.95Å; F27-F46 HydrophobicContact CE1-CZ 4.03Å; F27-F46 AromaticContact CZ-CE2 3.89Å; F27-F46 HydrophobicContact CZ-CE2 3.89Å; F27-F46 HydrophobicContact CZ-CZ 4.23Å; F27-K77 CarbonylContact O-C 3.4Å; F27-K77 WeakPolarHBondContact O-CA 3.46Å; F27-A78 PolarHBondContact N-O 2.84Å; F27-A78 PolarHBondContact O-N 3.35Å; F27-V80 HydrophobicContact CD2-CG2 4.14Å; F27-I87 HydrophobicContact CE2-CD1 4.29Å; F27-I87 HydrophobicContact CZ-CD1 4.03Å; F27-L89 HydrophobicContact CE1-CD2 3.85Å; F27-L89 HydrophobicContact CZ-CD2 4.07Å
28D95.9Very high94.6Very high9 Ų955.1 Ų55.15%0.04828%0.281CS..EExtended strand (participates in β ladder)trans-77.7127.5158.8-86.3-23.3000108.3K8 R9 V11 R75K8-D28 HydrophobicContact CB-CB 4.4Å; K8-D28 WeakPolarHBondContact CB-O 3.4Å; K8-D28 PolarHBondContact N-O 3.04Å; R9-D28 HydrophobicContact CG-CB 3.83Å; R9-D28 IonicContact CZ-OD2 2.67Å; R9-D28 IonicContact NE-OD2 3.1Å; R9-D28 PolarHBondContact NE-OD2 3.06Å; R9-D28 IonicContact NH2-OD2 2.76Å; R9-D28 PolarHBondContact NH2-OD2 2.9Å; R9-D28 PolarHBondContact O-N 3.43Å; V11-D28 HydrophobicContact CG2-CB 4.35Å; D28-R75 IonicContact OD1-CZ 3.28Å; D28-R75 IonicContact OD1-NE 2.8Å; D28-R75 PolarHBondContact OD1-NE 3.38Å; D28-R75 IonicContact OD1-NH2 3.42Å; D28-R75 PolarHBondContact OD1-NH2 2.8Å; D28-R75 IonicContact OD2-CZ 3.27Å; D28-R75 VanDerWaalsContact OD2-CZ 3.24Å; D28-R75 IonicContact OD2-NE 2.77Å; D28-R75 PolarHBondContact OD2-NE 2.77Å; D28-R75 IonicContact OD2-NH2 3.24Å; D28-R75 PolarHBondContact OD2-NH2 3.27Å
29V97.4Very high94.7Very high3 Ų352.3 Ų52.32%0.01827%0.266CS..EExtended strand (participates in β ladder)trans-120.8161.1-178.8-57.70000111.4I6 L7 F27 V38 R76 A78I6-V29 CarbonylContact O-C 3.57Å; I6-V29 WeakPolarHBondContact O-CA 3.07Å; I6-V29 WeakPolarHBondContact O-CB 3.34Å; L7-V29 HydrophobicContact CD2-CG1 3.78Å; F27-V29 HydrophobicContact CB-CG1 4.23Å; V29-V38 HydrophobicContact CB-CG2 4.32Å; V29-V38 HydrophobicContact CG1-CG1 4.29Å; V29-V38 HydrophobicContact CG1-CG2 4.08Å; V29-V38 HydrophobicContact CG2-CG2 4.35Å; V29-R76 HydrophobicContact CG2-CB 3.95Å; V29-R76 HydrophobicContact CG2-CG 3.68Å; V29-R76 PolarHBondContact N-O 3.28Å; V29-A78 HydrophobicContact CG1-CB 3.69Å; V29-A78 HydrophobicContact CG2-CB 4.28Å
30D95.9Very high94.8Very high14 Ų1456.8 Ų56.88%0.07529%0.285CS..  trans-61.3140.5173.5-170.3-99000112.2I6 K8 R32 V33I6-D30 PolarHBondContact O-N 2.87Å; K8-D30 VanDerWaalsContact CE-OD2 3.31Å; K8-D30 WeakPolarHBondContact CE-OD2 3.38Å; K8-D30 IonicContact NZ-OD2 3Å; K8-D30 PolarHBondContact NZ-OD2 2.76Å; D30-R32 PolarHBondContact O-N 3.17Å; D30-R32 WeakPolarHBondContact OD1-CB 3.46Å; D30-R32 IonicContact OD1-CZ 2.65Å; D30-R32 PolarHBondContact OD1-N 2.65Å; D30-R32 IonicContact OD1-NE 3.89Å; D30-R32 PolarHBondContact OD1-NE 3.17Å; D30-R32 VanDerWaalsContact OD1-NE 3.1Å; D30-R32 IonicContact OD1-NH2 3.95Å; D30-V33 HydrophobicContact CB-CG2 3.75Å; D30-V33 PolarHBondContact O-N 3.03Å
31T93.9Very high95Very high37 Ų3755.5 Ų55.523%0.22728%0.279CS..THydrogen-bonded Turntrans-67.6-22.2-172.161.70000113.4K74 R76T31-K74 HydrophobicContact CG2-CB 4.24Å; T31-K74 HydrophobicContact CG2-CD 4.14Å; T31-K74 HydrophobicContact CG2-CG 3.93Å; T31-K74 WeakPolarHBondContact CG2-O 3.31Å; T31-R76 HydrophobicContact CG2-CB 4.28Å; T31-R76 PolarHBondContact O-NH1 2.76Å
32R93.1Very high95.3Very high193 Ų19351.2 Ų51.273%0.72824%0.243SC*.THydrogen-bonded Turntrans-86.6-8.5-176.7-59.4174.5-68.9179.2-0.7113.6D30D30-R32 PolarHBondContact O-N 3.17Å; D30-R32 WeakPolarHBondContact OD1-CB 3.46Å; D30-R32 IonicContact OD1-CZ 2.65Å; D30-R32 PolarHBondContact OD1-N 2.65Å; D30-R32 IonicContact OD1-NE 3.89Å; D30-R32 PolarHBondContact OD1-NE 3.17Å; D30-R32 VanDerWaalsContact OD1-NE 3.1Å; D30-R32 IonicContact OD1-NH2 3.95Å
33V93.7Very high95.4Very high1 Ų148.1 Ų48.11%0.00623%0.229CC..  trans-82.4150.7-168.3174.90000112.5M1 I6 D30 Q37 V38 R76M1-V33 HydrophobicContact CE-CG2 4.49Å; M1-V33 HydrophobicContact SD-CG2 3.5Å; M1-V33 WeakPolarHBondContact SD-CG2 3.14Å; I6-V33 HydrophobicContact CB-CG2 4.4Å; I6-V33 HydrophobicContact CG1-CG1 4.35Å; I6-V33 HydrophobicContact CG1-CG2 3.9Å; I6-V33 HydrophobicContact CG2-CG1 3.74Å; I6-V33 HydrophobicContact CG2-CG2 4.21Å; D30-V33 HydrophobicContact CB-CG2 3.75Å; D30-V33 PolarHBondContact O-N 3.03Å; V33-Q37 HydrophobicContact CG1-CB 3.49Å; V33-Q37 VanDerWaalsContact CG1-CB 3.49Å; V33-V38 HydrophobicContact CG1-CG2 3.66Å; V33-R76 PolarHBondContact O-NH1 3.27Å; V33-R76 PolarHBondContact O-NH2 3.21Å
34N94.1Very high95.4Very high76 Ų7651.2 Ų51.241%0.40624%0.241SC..  trans-98.1171173.769.540.4000113.1T36 Q37 V38N34-T36 VanDerWaalsContact C-N 3.31Å; N34-T36 PolarHBondContact O-N 3.49Å; N34-T36 WeakPolarHBondContact OD1-CB 3.31Å; N34-T36 PolarHBondContact OD1-N 3.22Å; N34-T36 VanDerWaalsContact OD1-N 3.11Å; N34-Q37 PolarHBondContact O-N 2.78Å; N34-Q37 WeakPolarHBondContact OD1-CB 3.45Å; N34-Q37 WeakPolarHBondContact OD1-CG 3.5Å; N34-Q37 PolarHBondContact OD1-N 2.93Å; N34-V38 PolarHBondContact O-N 3.35Å
35K96Very high95.2Very high105 Ų10551.4 Ų51.446%0.45724%0.244SC..Hα-helixtrans-61-38.5-178.4-74.2-173.4172.8-161.20112.9V38 K39 V53 I55K35-V38 PolarHBondContact O-N 3.16Å; K35-K39 PolarHBondContact O-N 3.26Å; K35-V53 WeakPolarHBondContact CD-O 3.44Å; K35-V53 VanDerWaalsContact CE-O 3.31Å; K35-V53 WeakPolarHBondContact CE-O 3.19Å; K35-V53 PolarHBondContact NZ-O 2.8Å; K35-V53 VanDerWaalsContact NZ-O 3.1Å; K35-I55 HydrophobicContact CB-CD1 4.27Å; K35-I55 HydrophobicContact CG-CD1 3.47Å; K35-I55 VanDerWaalsContact CG-CD1 3.47Å; K35-I55 HydrophobicContact CG-CG1 3.9Å
36T95.7Very high95.1Very high90 Ų9054 Ų5455%0.55226%0.256SS*.Hα-helixtrans-65.2-42.8-179.1-47.70000111.8N34 K39 M40N34-T36 VanDerWaalsContact C-N 3.31Å; N34-T36 PolarHBondContact O-N 3.49Å; N34-T36 WeakPolarHBondContact OD1-CB 3.31Å; N34-T36 PolarHBondContact OD1-N 3.22Å; N34-T36 VanDerWaalsContact OD1-N 3.11Å; T36-K39 WeakPolarHBondContact O-CB 3.49Å; T36-K39 PolarHBondContact O-N 3.23Å; T36-M40 HydrophobicContact CG2-SD 4.21Å; T36-M40 WeakPolarHBondContact O-CG 3.34Å; T36-M40 PolarHBondContact O-N 3.07Å
37Q96.1Very high94.9Very high70 Ų7061 Ų6133%0.32729%0.293SS..Hα-helixtrans-64-41.1176.8-76.7172.5-31.500112.1I6 V33 N34 K39 M40 A41I6-Q37 HydrophobicContact CD1-CB 4.09Å; V33-Q37 HydrophobicContact CG1-CB 3.49Å; V33-Q37 VanDerWaalsContact CG1-CB 3.49Å; N34-Q37 PolarHBondContact O-N 2.78Å; N34-Q37 WeakPolarHBondContact OD1-CB 3.45Å; N34-Q37 WeakPolarHBondContact OD1-CG 3.5Å; N34-Q37 PolarHBondContact OD1-N 2.93Å; Q37-K39 VanDerWaalsContact C-N 3.33Å; Q37-M40 PolarHBondContact O-N 2.78Å; Q37-A41 VanDerWaalsContact O-CB 3.26Å; Q37-A41 WeakPolarHBondContact O-CB 3.45Å; Q37-A41 PolarHBondContact O-N 2.82Å
38V96.6Very high94.8Very high0 Ų061.6 Ų61.60%030%0.297CS..Hα-helixtrans-62.1-44173.5177.30000110.6I6 L7 V29 V33 N34 K35 A41 V42 V53 I55 A78 V80I6-V38 HydrophobicContact CG2-CG2 4.25Å; L7-V38 HydrophobicContact CD2-CG1 4.25Å; V29-V38 HydrophobicContact CB-CG2 4.32Å; V29-V38 HydrophobicContact CG1-CG1 4.29Å; V29-V38 HydrophobicContact CG1-CG2 4.08Å; V29-V38 HydrophobicContact CG2-CG2 4.35Å; V33-V38 HydrophobicContact CG1-CG2 3.66Å; N34-V38 PolarHBondContact O-N 3.35Å; K35-V38 PolarHBondContact O-N 3.16Å; V38-A41 PolarHBondContact O-N 3.28Å; V38-V42 HydrophobicContact CG1-CG2 4.29Å; V38-V42 VanDerWaalsContact O-CG2 3.3Å; V38-V42 WeakPolarHBondContact O-CG2 3.31Å; V38-V42 PolarHBondContact O-N 2.76Å; V38-V53 HydrophobicContact CB-CG1 4.17Å; V38-V53 HydrophobicContact CG1-CG1 3.94Å; V38-I55 HydrophobicContact CG2-CD1 4.38Å; V38-A78 HydrophobicContact CG1-CB 3.83Å; V38-V80 HydrophobicContact CG1-CG2 4.1Å
39K96.2Very high94.8Very high80 Ų8067 Ų6735%0.34832%0.32SS..Hα-helixtrans-55.4-56.1176.6179.8176.4177.91730110.5K35 T36 Q37 A41 V42 E43 V50 V53K35-K39 PolarHBondContact O-N 3.26Å; T36-K39 WeakPolarHBondContact O-CB 3.49Å; T36-K39 PolarHBondContact O-N 3.23Å; Q37-K39 VanDerWaalsContact C-N 3.33Å; K39-A41 VanDerWaalsContact C-N 3.33Å; K39-A41 PolarHBondContact O-N 2.81Å; K39-V42 PolarHBondContact O-N 3.16Å; K39-E43 WeakPolarHBondContact CE-OE1 3.43Å; K39-E43 HydrophobicContact CG-CG 4.47Å; K39-E43 IonicContact NZ-OE1 3.36Å; K39-E43 WeakPolarHBondContact O-CG 3.41Å; K39-E43 PolarHBondContact O-N 3.05Å; K39-V50 HydrophobicContact CD-CG1 4.45Å; K39-V50 WeakPolarHBondContact CE-O 3.33Å; K39-V50 HydrophobicContact CG-CB 3.92Å; K39-V50 HydrophobicContact CG-CG1 3.96Å; K39-V50 PolarHBondContact NZ-O 3.18Å; K39-V53 HydrophobicContact CB-CG2 4.03Å
40M96Very high94.8Very high114 Ų11467.1 Ų67.156%0.56232%0.321SS*.Hα-helixtrans-58.4-44.3-179.5-66.8171.66900111.8T36 Q37 V42 E43 E44T36-M40 HydrophobicContact CG2-SD 4.21Å; T36-M40 WeakPolarHBondContact O-CG 3.34Å; T36-M40 PolarHBondContact O-N 3.07Å; Q37-M40 PolarHBondContact O-N 2.78Å; M40-V42 PolarHBondContact O-N 3.1Å; M40-E43 PolarHBondContact O-N 2.88Å; M40-E44 VanDerWaalsContact O-CB 3.27Å; M40-E44 WeakPolarHBondContact O-CB 3.37Å; M40-E44 PolarHBondContact O-N 2.83Å
41A95.7Very high94.8Very high2 Ų269.2 Ų69.22%0.01734%0.341CS..Hα-helixtrans-64-38.5-179.400000113.1A3 I6 L7 Q37 V38 K39 I45A3-A41 HydrophobicContact CB-CB 3.86Å; I6-A41 HydrophobicContact CB-CB 3.97Å; I6-A41 HydrophobicContact CD1-CB 4.08Å; I6-A41 HydrophobicContact CG2-CB 3.79Å; L7-A41 HydrophobicContact CD1-CB 4.43Å; L7-A41 HydrophobicContact CG-CB 4.13Å; Q37-A41 VanDerWaalsContact O-CB 3.26Å; Q37-A41 WeakPolarHBondContact O-CB 3.45Å; Q37-A41 PolarHBondContact O-N 2.82Å; V38-A41 PolarHBondContact O-N 3.28Å; K39-A41 VanDerWaalsContact C-N 3.33Å; K39-A41 PolarHBondContact O-N 2.81Å; A41-I45 WeakPolarHBondContact O-CB 3.42Å; A41-I45 WeakPolarHBondContact O-CG1 3.35Å; A41-I45 PolarHBondContact O-N 3.33Å
42V94.8Very high94.9Very high0 Ų069.8 Ų69.80%035%0.346CS..Hα-helixtrans-69.1-44.9176.3173.80000110.9L7 V38 K39 M40 E44 F46 V48 V50 V80 I87L7-V42 HydrophobicContact CD1-CB 4.38Å; L7-V42 HydrophobicContact CD1-CG2 3.6Å; L7-V42 HydrophobicContact CD2-CG2 3.94Å; L7-V42 HydrophobicContact CG-CG2 4.37Å; V38-V42 HydrophobicContact CG1-CG2 4.29Å; V38-V42 VanDerWaalsContact O-CG2 3.3Å; V38-V42 WeakPolarHBondContact O-CG2 3.31Å; V38-V42 PolarHBondContact O-N 2.76Å; K39-V42 PolarHBondContact O-N 3.16Å; M40-V42 PolarHBondContact O-N 3.1Å; V42-E44 VanDerWaalsContact C-N 3.29Å; V42-E44 PolarHBondContact O-N 3.21Å; V42-F46 HydrophobicContact CG1-CD2 4.12Å; V42-F46 PolarHBondContact O-N 2.8Å; V42-V48 HydrophobicContact CG1-CG2 3.96Å; V42-V50 HydrophobicContact CB-CG2 4.07Å; V42-V50 HydrophobicContact CG1-CG2 3.75Å; V42-V80 HydrophobicContact CG1-CG1 4.19Å; V42-V80 HydrophobicContact CG2-CG1 4.44Å; V42-V80 HydrophobicContact CG2-CG2 4.18Å; V42-I87 HydrophobicContact CG1-CD1 4.1Å
43E94.8Very high95.1Very high52 Ų5261.3 Ų61.324%0.24332%0.316CS..Hα-helixtrans-61.8-38.8177.3-65.7-175.4155.300111.1K39 M40 N47 V48 V50K39-E43 WeakPolarHBondContact CE-OE1 3.43Å; K39-E43 HydrophobicContact CG-CG 4.47Å; K39-E43 IonicContact NZ-OE1 3.36Å; K39-E43 WeakPolarHBondContact O-CG 3.41Å; K39-E43 PolarHBondContact O-N 3.05Å; M40-E43 PolarHBondContact O-N 2.88Å; E43-N47 WeakPolarHBondContact O-CA 3.34Å; E43-N47 PolarHBondContact O-N 2.98Å; E43-V48 WeakPolarHBondContact CG-O 3.45Å; E43-V50 HydrophobicContact CG-CB 4.07Å; E43-V50 HydrophobicContact CG-CG2 3.68Å; E43-V50 PolarHBondContact OE1-N 2.83Å
44E94Very high95.3Very high141 Ų14165.1 Ų65.166%0.65934%0.336SS*.Hα-helixtrans-70.8-47.1178.8-172.9-176.615200113.1A3 M40 V42A3-E44 HydrophobicContact CB-CB 4.42Å; A3-E44 HydrophobicContact CB-CG 4.42Å; M40-E44 VanDerWaalsContact O-CB 3.27Å; M40-E44 WeakPolarHBondContact O-CB 3.37Å; M40-E44 PolarHBondContact O-N 2.83Å; V42-E44 VanDerWaalsContact C-N 3.29Å; V42-E44 PolarHBondContact O-N 3.21Å
45I92.5Very high95.4Very high69 Ų6963 Ų6335%0.35433%0.325SS..Hα-helixtrans-73.3-41.8-175-71.4166.2000111.8A3 R4 L7 A41A3-I45 HydrophobicContact CB-CD1 3.84Å; A3-I45 HydrophobicContact CB-CG1 3.93Å; A3-I45 WeakPolarHBondContact O-CD1 3.38Å; R4-I45 HydrophobicContact CG-CD1 4.43Å; L7-I45 HydrophobicContact CB-CD1 4.3Å; L7-I45 HydrophobicContact CD1-CD1 3.8Å; L7-I45 HydrophobicContact CG-CD1 4.25Å; A41-I45 WeakPolarHBondContact O-CB 3.42Å; A41-I45 WeakPolarHBondContact O-CG1 3.35Å; A41-I45 PolarHBondContact O-N 3.33Å
46F92.1Very high95.4Very high68 Ų6861.2 Ų61.230%0.29832%0.319SS..Hα-helixtrans-104.5-4.9-172.4-62-73.1000113.5L7 F27 V42 V48 I87L7-F46 HydrophobicContact CD1-CE2 3.99Å; F27-F46 AromaticContact CE1-CE2 3.95Å; F27-F46 HydrophobicContact CE1-CE2 3.95Å; F27-F46 HydrophobicContact CE1-CZ 4.03Å; F27-F46 AromaticContact CZ-CE2 3.89Å; F27-F46 HydrophobicContact CZ-CE2 3.89Å; F27-F46 HydrophobicContact CZ-CZ 4.23Å; V42-F46 HydrophobicContact CG1-CD2 4.12Å; V42-F46 PolarHBondContact O-N 2.8Å; F46-V48 HydrophobicContact CB-CG1 4.2Å; F46-V48 HydrophobicContact CB-CG2 4.05Å; F46-V48 PolarHBondContact O-N 2.89Å; F46-I87 HydrophobicContact CB-CD1 4.34Å; F46-I87 HydrophobicContact CB-CG1 4.07Å; F46-I87 HydrophobicContact CD1-CG1 4.36Å; F46-I87 HydrophobicContact CD1-CG2 3.49Å; F46-I87 VanDerWaalsContact CD1-CG2 3.49Å; F46-I87 HydrophobicContact CD2-CD1 4.01Å; F46-I87 HydrophobicContact CD2-CG1 4.45Å; F46-I87 HydrophobicContact CD2-CG2 4.37Å; F46-I87 HydrophobicContact CE1-CG2 3.47Å; F46-I87 VanDerWaalsContact CE1-CG2 3.47Å; F46-I87 HydrophobicContact CE2-CG2 4.35Å; F46-I87 HydrophobicContact CG-CD1 4.12Å; F46-I87 HydrophobicContact CG-CG1 4.05Å; F46-I87 HydrophobicContact CG-CG2 3.96Å; F46-I87 HydrophobicContact CZ-CG2 3.92Å
47N92.5Very high95.4Very high154 Ų15461.7 Ų61.782%0.82432%0.318SS*.  trans53.739.6-178.3-165.538.6000113.5E43E43-N47 WeakPolarHBondContact O-CA 3.34Å; E43-N47 PolarHBondContact O-N 2.98Å
48V94.6Very high95.3Very high16 Ų1663.1 Ų63.110%0.09732%0.321CS..  trans-110.6170.1179.4-64.50000111.2V42 E43 F46 L82 I87V42-V48 HydrophobicContact CG1-CG2 3.96Å; E43-V48 WeakPolarHBondContact CG-O 3.45Å; F46-V48 HydrophobicContact CB-CG1 4.2Å; F46-V48 HydrophobicContact CB-CG2 4.05Å; F46-V48 PolarHBondContact O-N 2.89Å; V48-L82 HydrophobicContact CB-CD1 4.44Å; V48-L82 HydrophobicContact CB-CD2 4.34Å; V48-L82 HydrophobicContact CG1-CD1 4.46Å; V48-L82 HydrophobicContact CG2-CD1 4.39Å; V48-L82 HydrophobicContact CG2-CD2 3.71Å; V48-I87 HydrophobicContact CG1-CG1 4.21Å; V48-I87 HydrophobicContact CG2-CD1 4.31Å; V48-I87 HydrophobicContact CG2-CG1 4.42Å
49K95.4Very high95.2Very high121 Ų12172 Ų7253%0.52636%0.36SS..EExtended strand (participates in β ladder)trans-104.3123.3172.4-66.9-61.2-178-170.70111.1K83 E84K49-K83 HydrophobicContact CB-CB 4.28Å; K49-K83 PolarHBondContact O-N 2.89Å; K49-E84 HydrophobicContact CB-CG 4.46Å
50V96.4Very high95.2Very high6 Ų671 Ų714%0.03636%0.361CS..EExtended strand (participates in β ladder)trans-95.8122.6-177.8172.70000110.6K39 V42 E43 V53 V80 L82K39-V50 HydrophobicContact CD-CG1 4.45Å; K39-V50 WeakPolarHBondContact CE-O 3.33Å; K39-V50 HydrophobicContact CG-CB 3.92Å; K39-V50 HydrophobicContact CG-CG1 3.96Å; K39-V50 PolarHBondContact NZ-O 3.18Å; V42-V50 HydrophobicContact CB-CG2 4.07Å; V42-V50 HydrophobicContact CG1-CG2 3.75Å; E43-V50 HydrophobicContact CG-CB 4.07Å; E43-V50 HydrophobicContact CG-CG2 3.68Å; E43-V50 PolarHBondContact OE1-N 2.83Å; V50-V53 HydrophobicContact CG1-CG2 3.73Å; V50-V80 HydrophobicContact CB-CG1 4.3Å; V50-V80 HydrophobicContact CG1-CG1 3.59Å; V50-V80 HydrophobicContact CG2-CG1 3.74Å; V50-L82 HydrophobicContact CG2-CD2 3.94Å
51A96.2Very high95.2Very high59 Ų5972.8 Ų72.849%0.48837%0.366SS..EExtended strand (participates in β ladder)trans-77.7-51.4175.800000111.7T81 K83A51-T81 HydrophobicContact CB-CG2 4.4Å; A51-T81 PolarHBondContact N-O 2.97Å; A51-K83 HydrophobicContact CB-CB 4.16Å
52S96.5Very high95.1Very high49 Ų4978.8 Ų78.834%0.34339%0.391SS..EExtended strand (participates in β ladder)trans-151.1156.8-179.181.60000113.1T81S52-T81 PolarHBondContact N-O 3.5Å; S52-T81 PolarHBondContact O-N 3.45Å; S52-T81 PolarHBondContact OG-OG1 2.89Å
53V97.7Very high95.2Very high15 Ų1584.4 Ų84.49%0.09142%0.416CS..EExtended strand (participates in β ladder)trans-128.4120.5177.5-176.90000110.5K35 V38 K39 V50 I55 A78 V80K35-V53 WeakPolarHBondContact CD-O 3.44Å; K35-V53 VanDerWaalsContact CE-O 3.31Å; K35-V53 WeakPolarHBondContact CE-O 3.19Å; K35-V53 PolarHBondContact NZ-O 2.8Å; K35-V53 VanDerWaalsContact NZ-O 3.1Å; V38-V53 HydrophobicContact CB-CG1 4.17Å; V38-V53 HydrophobicContact CG1-CG1 3.94Å; K39-V53 HydrophobicContact CB-CG2 4.03Å; V50-V53 HydrophobicContact CG1-CG2 3.73Å; V53-I55 HydrophobicContact CG1-CG1 4.12Å; V53-A78 HydrophobicContact CG1-CB 4.42Å; V53-V80 HydrophobicContact CG1-CG2 4.38Å; V53-V80 HydrophobicContact CG2-CG1 4.36Å; V53-V80 HydrophobicContact CG2-CG2 4.41Å
54N97.3Very high95.2Very high81 Ų8190.4 Ų90.443%0.43344%0.436SS..EExtended strand (participates in β ladder)trans-108130.7174.5-69.1-53000109.9A78 I79N54-A78 CarbonylContact O-C 3.6Å; N54-A78 WeakPolarHBondContact O-CA 3.44Å; N54-I79 HydrophobicContact CB-CB 4.35Å; N54-I79 PolarHBondContact N-O 3.43Å; N54-I79 PolarHBondContact O-N 3Å
55I97.1Very high95Very high32 Ų3290.7 Ų90.716%0.16444%0.439CS..EExtended strand (participates in β ladder)trans-118.5134.6-175.2-69.9-174.2000109.7K35 V38 V53 R76 K77 A78K35-I55 HydrophobicContact CB-CD1 4.27Å; K35-I55 HydrophobicContact CG-CD1 3.47Å; K35-I55 VanDerWaalsContact CG-CD1 3.47Å; K35-I55 HydrophobicContact CG-CG1 3.9Å; V38-I55 HydrophobicContact CG2-CD1 4.38Å; V53-I55 HydrophobicContact CG1-CG1 4.12Å; I55-R76 HydrophobicContact CG2-CG 3.79Å; I55-K77 CarbonylContact C-O 3.55Å; I55-K77 WeakPolarHBondContact CA-O 3.44Å; I55-A78 HydrophobicContact CG1-CB 4.48Å
56M95.5Very high95Very high67 Ų6790.6 Ų90.633%0.3346%0.456SS..EExtended strand (participates in β ladder)trans-119.9129.5171.7-71.9177.9-8500110.8Y58 R76 K77 I79M56-Y58 HydrophobicContact CB-CE2 3.83Å; M56-R76 WeakPolarHBondContact O-CA 3.49Å; M56-K77 HydrophobicContact CB-CB 4.49Å; M56-K77 PolarHBondContact N-O 3.25Å; M56-K77 PolarHBondContact O-N 3.18Å; M56-I79 HydrophobicContact CE-CD1 3.32Å; M56-I79 HydrophobicContact CE-CG1 3.74Å
57N95.1Very high95Very high99 Ų9997.3 Ų97.353%0.52948%0.479SS..EExtended strand (participates in β ladder)trans-97.2126.6175.7-67.3-47.4000110.2R76N57-R76 WeakPolarHBondContact OD1-CD 3.4Å; N57-R76 WeakPolarHBondContact OD1-CG 2.94Å; N57-R76 PolarHBondContact OD1-NE 2.67Å
58Y94.9Very high95.1Very high101 Ų10197.2 Ų97.240%0.39647%0.468SS..EExtended strand (participates in β ladder)trans-106.3120.5177.9-69.4-90.4000110.2M56 R75 K77M56-Y58 HydrophobicContact CB-CE2 3.83Å; Y58-R75 PolarHBondContact N-O 2.94Å; Y58-R75 PolarHBondContact O-N 2.99Å; Y58-K77 HydrophobicContact CD2-CB 4.19Å; Y58-K77 HydrophobicContact CE2-CB 3.58Å; Y58-K77 HydrophobicContact CE2-CD 4.12Å; Y58-K77 HydrophobicContact CE2-CG 4.5Å; Y58-K77 VanDerWaalsContact OH-CE 3.25Å; Y58-K77 WeakPolarHBondContact OH-CE 3.35Å; Y58-K77 PolarHBondContact OH-NZ 3Å
59K94.9Very high95Very high187 Ų187102.2 Ų102.281%0.81349%0.49SS*.PPolyproline II helixtrans-67.5141.5177.6-69.3-177.5179.5179.50110.5K61K59-K61 PolarHBondContact O-N 2.79Å
60P95.4Very high94.9Very high59 Ų5998 Ų9838%0.38348%0.482SS..PPolyproline II helixtrans-61.5136.4172.228.8-35.7000109.9Y71 T72P60-Y71 HydrophobicContact CB-CD1 4.36Å; P60-T72 WeakPolarHBondContact CA-O 3.33Å; P60-T72 WeakPolarHBondContact CB-O 3.36Å
61K95.3Very high94.8Very high151 Ų151105.1 Ų105.166%0.65751%0.509SS*.PPolyproline II helixtrans-99.1134.9178.7-67-174.6178.9-177.40109.8K59 K63 Y71 T72K59-K61 PolarHBondContact O-N 2.79Å; K61-K63 PolarHBondContact O-N 3.1Å; K61-Y71 CarbonylContact O-C 3.55Å; K61-Y71 WeakPolarHBondContact O-CA 3.25Å; K61-T72 PolarHBondContact O-N 2.8Å; K61-T72 PolarHBondContact O-OG1 3.43Å
62K95.2Very high94.7Very high127 Ų127105.5 Ų105.555%0.55251%0.506SS*.EExtended strand (participates in β ladder)trans-63133.4173.5-169.6174.1-179.6176.70109.2G70 Y71K62-G70 CarbonylContact C-O 3.52Å; K62-G70 WeakPolarHBondContact CA-O 3.45Å; K62-Y71 HydrophobicContact CB-CD1 4.13Å; K62-Y71 HydrophobicContact CB-CE1 3.78Å; K62-Y71 HydrophobicContact CG-CE1 4.32Å
63K95.3Very high94.5Very high118 Ų118109.7 Ų109.751%0.51352%0.524SS..EExtended strand (participates in β ladder)trans-132.8151177.2-67.2-65.5-174172.40109K61 G70 T72K61-K63 PolarHBondContact O-N 3.1Å; K63-G70 PolarHBondContact N-O 3.5Å; K63-G70 PolarHBondContact O-N 2.95Å; K63-T72 WeakPolarHBondContact CG-OG1 3.48Å
64R94.4Very high94.3Very high178 Ų178114.6 Ų114.667%0.67254%0.544SS*.EExtended strand (participates in β ladder)trans-131.1133.5175.8-175.817776.8179.35.5108.7G66 Y68 Q69R64-G66 WeakPolarHBondContact CD-O 3.47Å; R64-G66 VanDerWaalsContact CG-O 3.29Å; R64-G66 WeakPolarHBondContact CG-O 3.38Å; R64-Y68 CarbonylContact C-O 3.59Å; R64-Y68 VanDerWaalsContact CA-O 3.3Å; R64-Y68 WeakPolarHBondContact CA-O 3.4Å; R64-Y68 WeakPolarHBondContact CG-O 3.39Å; R64-Q69 HydrophobicContact CB-CG 4.36Å; R64-Q69 HydrophobicContact CG-CG 3.96Å
65M91.7Very high94.2Very high147 Ų147115.5 Ų115.572%0.72454%0.541SS*.EExtended strand (participates in β ladder)trans-126.6100.6172.7-63.7-56.1-171.400107.9R67 Y68M65-R67 PolarHBondContact O-N 2.89Å; M65-Y68 PolarHBondContact N-O 3.29Å; M65-Y68 PolarHBondContact O-N 3.16Å
66G91.7Very high94.2Very high68 Ų68115.9 Ų115.970%0.70154%0.541SS*.THydrogen-bonded Turntrans56.1-121.7-171.600000111.9R64 Y68R64-G66 WeakPolarHBondContact CD-O 3.47Å; R64-G66 VanDerWaalsContact CG-O 3.29Å; R64-G66 WeakPolarHBondContact CG-O 3.38Å; G66-Y68 VanDerWaalsContact C-N 3.33Å
67R92.9Very high94.3Very high209 Ų209114.5 Ų114.579%0.78953%0.533SS*.THydrogen-bonded Turntrans-73.2-20.6177.567.4-178.7179.1-171.1-1.4114.3M65M65-R67 PolarHBondContact O-N 2.89Å
68Y93.4Very high94.4Very high152 Ų152109.8 Ų109.860%0.59651%0.508SS*.EExtended strand (participates in β ladder)trans-87.8127.8-174.7-60.1-72.7000111R64 M65 G66R64-Y68 CarbonylContact C-O 3.59Å; R64-Y68 VanDerWaalsContact CA-O 3.3Å; R64-Y68 WeakPolarHBondContact CA-O 3.4Å; R64-Y68 WeakPolarHBondContact CG-O 3.39Å; M65-Y68 PolarHBondContact N-O 3.29Å; M65-Y68 PolarHBondContact O-N 3.16Å; G66-Y68 VanDerWaalsContact C-N 3.33Å
69Q93.2Very high94.5Very high120 Ų120106.9 Ų106.956%0.56150%0.498SS*.EExtended strand (participates in β ladder)trans-109.4139.2169.9-61.5-175.12100109R64R64-Q69 HydrophobicContact CB-CG 4.36Å; R64-Q69 HydrophobicContact CG-CG 3.96Å
70G93.7Very high94.6Very high34 Ų3498 Ų9835%0.35146%0.46SS..EExtended strand (participates in β ladder)trans-159.2-168178.500000111.2K62 K63K62-G70 CarbonylContact C-O 3.52Å; K62-G70 WeakPolarHBondContact CA-O 3.45Å; K63-G70 PolarHBondContact N-O 3.5Å; K63-G70 PolarHBondContact O-N 2.95Å
71Y93.9Very high94.7Very high155 Ų15596.4 Ų96.461%0.60845%0.449SS*.EExtended strand (participates in β ladder)trans-126.7147.3178.8-72.2-95.9000110.1P60 K61 K62P60-Y71 HydrophobicContact CB-CD1 4.36Å; K61-Y71 CarbonylContact O-C 3.55Å; K61-Y71 WeakPolarHBondContact O-CA 3.25Å; K62-Y71 HydrophobicContact CB-CD1 4.13Å; K62-Y71 HydrophobicContact CB-CE1 3.78Å; K62-Y71 HydrophobicContact CG-CE1 4.32Å
72T93.5Very high94.7Very high67 Ų6789.5 Ų89.541%0.41142%0.42SS..PPolyproline II helixtrans-65.9150.8164.7-51.30000109.8P60 K61 K63P60-T72 WeakPolarHBondContact CA-O 3.33Å; P60-T72 WeakPolarHBondContact CB-O 3.36Å; K61-T72 PolarHBondContact O-N 2.8Å; K61-T72 PolarHBondContact O-OG1 3.43Å; K63-T72 WeakPolarHBondContact CG-OG1 3.48Å
73N92.4Very high94.5Very high136 Ų13691 Ų9173%0.72743%0.426SS*.PPolyproline II helixtrans-55.9139.6176.3-67.2-16.7000112.2R75N73-R75 PolarHBondContact O-N 2.85Å
74K94.5Very high94Very high119 Ų11991.3 Ų91.352%0.51743%0.429SS..PPolyproline II helixtrans-61.3132167.6-175.4-178.6179.8-178.70108.3T31T31-K74 HydrophobicContact CG2-CB 4.24Å; T31-K74 HydrophobicContact CG2-CD 4.14Å; T31-K74 HydrophobicContact CG2-CG 3.93Å; T31-K74 WeakPolarHBondContact CG2-O 3.31Å
75R95.1Very high93.6Very high99 Ų9985.2 Ų85.237%0.37442%0.422SS..EExtended strand (participates in β ladder)trans-120.2150.9178.1-72.1-179.163.9-169.8-4.7110.3D28 Y58 N73D28-R75 IonicContact OD1-CZ 3.28Å; D28-R75 IonicContact OD1-NE 2.8Å; D28-R75 PolarHBondContact OD1-NE 3.38Å; D28-R75 IonicContact OD1-NH2 3.42Å; D28-R75 PolarHBondContact OD1-NH2 2.8Å; D28-R75 IonicContact OD2-CZ 3.27Å; D28-R75 VanDerWaalsContact OD2-CZ 3.24Å; D28-R75 IonicContact OD2-NE 2.77Å; D28-R75 PolarHBondContact OD2-NE 2.77Å; D28-R75 IonicContact OD2-NH2 3.24Å; D28-R75 PolarHBondContact OD2-NH2 3.27Å; Y58-R75 PolarHBondContact N-O 2.94Å; Y58-R75 PolarHBondContact O-N 2.99Å; N73-R75 PolarHBondContact O-N 2.85Å
76R96.5Very high93.3Very high41 Ų4182.6 Ų82.616%0.15542%0.418CS..EExtended strand (participates in β ladder)trans-132.6128.2173.3-172.3170.2-178.2161.2-2107.1V29 T31 V33 I55 M56 N57V29-R76 HydrophobicContact CG2-CB 3.95Å; V29-R76 HydrophobicContact CG2-CG 3.68Å; V29-R76 PolarHBondContact N-O 3.28Å; T31-R76 HydrophobicContact CG2-CB 4.28Å; T31-R76 PolarHBondContact O-NH1 2.76Å; V33-R76 PolarHBondContact O-NH1 3.27Å; V33-R76 PolarHBondContact O-NH2 3.21Å; I55-R76 HydrophobicContact CG2-CG 3.79Å; M56-R76 WeakPolarHBondContact O-CA 3.49Å; N57-R76 WeakPolarHBondContact OD1-CD 3.4Å; N57-R76 WeakPolarHBondContact OD1-CG 2.94Å; N57-R76 PolarHBondContact OD1-NE 2.67Å
77K96.5Very high93.1Very high38 Ų3879.9 Ų79.917%0.16539%0.388CS..EExtended strand (participates in β ladder)trans-113.8129.8-177.2-165.4173.876.7173.30108.6T26 F27 I55 M56 Y58T26-K77 HydrophobicContact CG2-CD 3.44Å; T26-K77 VanDerWaalsContact CG2-CD 3.44Å; T26-K77 HydrophobicContact CG2-CG 3.4Å; T26-K77 VanDerWaalsContact CG2-CG 3.4Å; F27-K77 CarbonylContact O-C 3.4Å; F27-K77 WeakPolarHBondContact O-CA 3.46Å; I55-K77 CarbonylContact C-O 3.55Å; I55-K77 WeakPolarHBondContact CA-O 3.44Å; M56-K77 HydrophobicContact CB-CB 4.49Å; M56-K77 PolarHBondContact N-O 3.25Å; M56-K77 PolarHBondContact O-N 3.18Å; Y58-K77 HydrophobicContact CD2-CB 4.19Å; Y58-K77 HydrophobicContact CE2-CB 3.58Å; Y58-K77 HydrophobicContact CE2-CD 4.12Å; Y58-K77 HydrophobicContact CE2-CG 4.5Å; Y58-K77 VanDerWaalsContact OH-CE 3.25Å; Y58-K77 WeakPolarHBondContact OH-CE 3.35Å; Y58-K77 PolarHBondContact OH-NZ 3Å
78A97.7Very high92.7Very high0 Ų074.7 Ų74.70%038%0.375CS..EExtended strand (participates in β ladder)trans-105.6130170.800000108.9T26 F27 V29 V38 V53 N54 I55 V80T26-A78 CarbonylContact C-O 3.57Å; T26-A78 WeakPolarHBondContact CA-O 3.46Å; F27-A78 PolarHBondContact N-O 2.84Å; F27-A78 PolarHBondContact O-N 3.35Å; V29-A78 HydrophobicContact CG1-CB 3.69Å; V29-A78 HydrophobicContact CG2-CB 4.28Å; V38-A78 HydrophobicContact CG1-CB 3.83Å; V53-A78 HydrophobicContact CG1-CB 4.42Å; N54-A78 CarbonylContact O-C 3.6Å; N54-A78 WeakPolarHBondContact O-CA 3.44Å; I55-A78 HydrophobicContact CG1-CB 4.48Å; A78-V80 HydrophobicContact CB-CG2 4.24Å
79I96.9Very high92.2Very high39 Ų3968.2 Ų68.220%0.235%0.351CS..EExtended strand (participates in β ladder)trans-101.8119.2163.1-59.7-179.7000105.9K24 Y25 T26 N54 M56K24-I79 HydrophobicContact CB-CG2 3.99Å; K24-I79 HydrophobicContact CG-CG2 4.37Å; Y25-I79 CarbonylContact O-C 3.54Å; Y25-I79 WeakPolarHBondContact O-CA 3.38Å; T26-I79 HydrophobicContact CG2-CG1 4.23Å; N54-I79 HydrophobicContact CB-CB 4.35Å; N54-I79 PolarHBondContact N-O 3.43Å; N54-I79 PolarHBondContact O-N 3Å; M56-I79 HydrophobicContact CE-CD1 3.32Å; M56-I79 HydrophobicContact CE-CG1 3.74Å
80V97Very high91.3Very high0 Ų069.2 Ų69.20%035%0.354CS..EExtended strand (participates in β ladder)trans-113118.5-174.3-177.50000107.4K24 Y25 F27 V38 V42 V50 V53 A78 L82K24-V80 CarbonylContact C-O 3.59Å; K24-V80 WeakPolarHBondContact CA-O 3.41Å; Y25-V80 PolarHBondContact N-O 3.46Å; Y25-V80 PolarHBondContact O-N 2.86Å; F27-V80 HydrophobicContact CD2-CG2 4.14Å; V38-V80 HydrophobicContact CG1-CG2 4.1Å; V42-V80 HydrophobicContact CG1-CG1 4.19Å; V42-V80 HydrophobicContact CG2-CG1 4.44Å; V42-V80 HydrophobicContact CG2-CG2 4.18Å; V50-V80 HydrophobicContact CB-CG1 4.3Å; V50-V80 HydrophobicContact CG1-CG1 3.59Å; V50-V80 HydrophobicContact CG2-CG1 3.74Å; V53-V80 HydrophobicContact CG1-CG2 4.38Å; V53-V80 HydrophobicContact CG2-CG1 4.36Å; V53-V80 HydrophobicContact CG2-CG2 4.41Å; A78-V80 HydrophobicContact CB-CG2 4.24Å; V80-L82 HydrophobicContact CG1-CD2 4.2Å
81T97.3Very high89.7Confident26 Ų2677.2 Ų77.216%0.1639%0.388CS..EExtended strand (participates in β ladder)trans-91.9125.3173.8-53.30000108.4D23 K24 A51 S52D23-T81 WeakPolarHBondContact O-CA 3.34Å; K24-T81 HydrophobicContact CG-CG2 4.29Å; A51-T81 HydrophobicContact CB-CG2 4.4Å; A51-T81 PolarHBondContact N-O 2.97Å; S52-T81 PolarHBondContact N-O 3.5Å; S52-T81 PolarHBondContact O-N 3.45Å; S52-T81 PolarHBondContact OG-OG1 2.89Å
82L95.5Very high89.5Confident7 Ų773.3 Ų73.34%0.03738%0.377CS..EExtended strand (participates in β ladder)trans-84154.4174.6-56.5-175.4000110.6D23 Y25 V48 V50 V80 I87D23-L82 PolarHBondContact O-N 2.81Å; Y25-L82 HydrophobicContact CD2-CD1 3.62Å; Y25-L82 HydrophobicContact CD2-CG 3.85Å; Y25-L82 HydrophobicContact CE2-CD1 3.41Å; Y25-L82 VanDerWaalsContact CE2-CD1 3.41Å; Y25-L82 HydrophobicContact CE2-CG 4.03Å; V48-L82 HydrophobicContact CB-CD1 4.44Å; V48-L82 HydrophobicContact CB-CD2 4.34Å; V48-L82 HydrophobicContact CG1-CD1 4.46Å; V48-L82 HydrophobicContact CG2-CD1 4.39Å; V48-L82 HydrophobicContact CG2-CD2 3.71Å; V50-L82 HydrophobicContact CG2-CD2 3.94Å; V80-L82 HydrophobicContact CG1-CD2 4.2Å; L82-I87 HydrophobicContact CD1-CD1 3.91Å; L82-I87 HydrophobicContact CD1-CG1 3.84Å; L82-I87 HydrophobicContact CD2-CD1 4.25Å
83K92.1Very high89.3Confident158 Ų15873.6 Ų73.669%0.68738%0.375SS*.EExtended strand (participates in β ladder)trans-85.7-41.9171.4-173.4-178.6178.2-170.30110.7K49 A51K49-K83 HydrophobicContact CB-CB 4.28Å; K49-K83 PolarHBondContact O-N 2.89Å; A51-K83 HydrophobicContact CB-CB 4.16Å
84E84.8Confident89.1Confident124 Ų12470.2 Ų70.258%0.57936%0.356SS*.EExtended strand (participates in β ladder)trans-157.5155.1-179.164.7-164.7161.100109K49K49-E84 HydrophobicContact CB-CG 4.46Å
85G84.9Confident88.8Confident50 Ų5067.3 Ų67.352%0.51535%0.346SS..  trans85.7171.5-176.200000113.3
86S86.2Confident88.4Confident93 Ų9365.3 Ų65.365%0.6535%0.345SS*.  trans-129151.5179.256.70000109.9Y25Y25-S86 WeakPolarHBondContact OH-CA 3.3Å; Y25-S86 WeakPolarHBondContact OH-CB 3.49Å
87I87.9Confident87.9Confident11 Ų1166.9 Ų66.96%0.05636%0.357CS..  trans-104.9126.7172.9-63.6168.1000107.8Y25 F27 V42 F46 V48 L82 L89Y25-I87 HydrophobicContact CD1-CB 4.05Å; Y25-I87 HydrophobicContact CD2-CD1 4.2Å; Y25-I87 HydrophobicContact CE1-CB 3.9Å; Y25-I87 VanDerWaalsContact CE1-O 3.31Å; Y25-I87 WeakPolarHBondContact CE1-O 3.29Å; Y25-I87 HydrophobicContact CE2-CB 4.46Å; Y25-I87 HydrophobicContact CG-CB 4.37Å; Y25-I87 HydrophobicContact CG-CD1 4.13Å; Y25-I87 PolarHBondContact OH-N 2.86Å; Y25-I87 VanDerWaalsContact OH-N 3.13Å; F27-I87 HydrophobicContact CE2-CD1 4.29Å; F27-I87 HydrophobicContact CZ-CD1 4.03Å; V42-I87 HydrophobicContact CG1-CD1 4.1Å; F46-I87 HydrophobicContact CB-CD1 4.34Å; F46-I87 HydrophobicContact CB-CG1 4.07Å; F46-I87 HydrophobicContact CD1-CG1 4.36Å; F46-I87 HydrophobicContact CD1-CG2 3.49Å; F46-I87 VanDerWaalsContact CD1-CG2 3.49Å; F46-I87 HydrophobicContact CD2-CD1 4.01Å; F46-I87 HydrophobicContact CD2-CG1 4.45Å; F46-I87 HydrophobicContact CD2-CG2 4.37Å; F46-I87 HydrophobicContact CE1-CG2 3.47Å; F46-I87 VanDerWaalsContact CE1-CG2 3.47Å; F46-I87 HydrophobicContact CE2-CG2 4.35Å; F46-I87 HydrophobicContact CG-CD1 4.12Å; F46-I87 HydrophobicContact CG-CG1 4.05Å; F46-I87 HydrophobicContact CG-CG2 3.96Å; F46-I87 HydrophobicContact CZ-CG2 3.92Å; V48-I87 HydrophobicContact CG1-CG1 4.21Å; V48-I87 HydrophobicContact CG2-CD1 4.31Å; V48-I87 HydrophobicContact CG2-CG1 4.42Å; L82-I87 HydrophobicContact CD1-CD1 3.91Å; L82-I87 HydrophobicContact CD1-CG1 3.84Å; L82-I87 HydrophobicContact CD2-CD1 4.25Å; I87-L89 HydrophobicContact CG2-CD2 3.52Å; I87-L89 HydrophobicContact CG2-CG 4.03Å
88D83.8Confident87.3Confident100 Ų10069 Ų6954%0.53537%0.371SS..  trans-80.3122.2169-165.8-5.9000109.9F90 N91D88-F90 PolarHBondContact OD1-N 3.01Å; D88-N91 VanDerWaalsContact CG-ND2 3.28Å; D88-N91 PolarHBondContact OD2-ND2 3.23Å
89L83Confident86.5Confident15 Ų1574.3 Ų74.38%0.07940%0.4CS..  trans-114.90.5-174.9-68.8-172.5000113.8P10 M20 Y25 F27 I87P10-L89 HydrophobicContact CB-CD1 3.94Å; P10-L89 HydrophobicContact CB-CD2 3.73Å; P10-L89 HydrophobicContact CB-CG 4.29Å; P10-L89 HydrophobicContact CG-CD2 4.19Å; M20-L89 HydrophobicContact CE-CD1 3.58Å; M20-L89 HydrophobicContact SD-CD1 4.4Å; Y25-L89 HydrophobicContact CD1-CD1 3.68Å; Y25-L89 HydrophobicContact CD1-CG 4.21Å; Y25-L89 HydrophobicContact CE1-CD1 4.31Å; F27-L89 HydrophobicContact CE1-CD2 3.85Å; F27-L89 HydrophobicContact CZ-CD2 4.07Å; I87-L89 HydrophobicContact CG2-CD2 3.52Å; I87-L89 HydrophobicContact CG2-CG 4.03Å
90F75.2Confident85.6Confident142 Ų14277.3 Ų77.362%0.62342%0.416SS*.  trans-105.313.7-169.3-64.7-77.5000114.7I12 D88I12-F90 HydrophobicContact CD1-CD1 4.38Å; I12-F90 HydrophobicContact CD1-CE1 4.23Å; I12-F90 HydrophobicContact CG2-CE1 4.34Å; D88-F90 PolarHBondContact OD1-N 3.01Å
91N59.7Low84.6Confident201 Ų20184.3 Ų84.3100%1.07545%0.454SS*.  trans-109.30177.5-54.7-53.8000113.1D88D88-N91 VanDerWaalsContact CG-ND2 3.28Å; D88-N91 PolarHBondContact OD2-ND2 3.23Å

Retrieved 91 of 91 residues in 63 ms (Link to these results)

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