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Polyribonucleotide 5'-hydroxyl-kinase Clp1

Polynucleotide kinase that can phosphorylate the 5'-hydroxyl groups of double-stranded RNA (dsRNA), single-stranded RNA (ssRNA), double stranded DNA (dsDNA) and double-stranded DNA:RNA hybrids. dsRNA is phosphorylated more efficiently than dsDNA, and the RNA component of a DNA:RNA hybrid is phosphorylated more efficiently than the DNA component. Appears to have roles in both tRNA splicing and mRNA 3'-end formation. Component of the tRNA splicing endonuclease complex. Phosphorylates the 5'-terminus of the tRNA 3'-exon during tRNA splicing; this phosphorylation event is a prerequisite for the subsequent ligation of the two exon halves and the production of a mature tRNA. Component of the pre-mRNA cleavage complex II (CF-II), which seems to be required for mRNA 3'-end formation. Also phosphorylates the 5'-terminus of exogenously introduced short interfering RNAs (siRNAs), which is a necessary prerequisite for their incorporation into the RNA-induced silencing complex (RISC). However, endogenous siRNAs and microRNAs (miRNAs) that are produced by the cleavage of dsRNA precursors by DICER1 already contain a 5'-phosphate group, so this protein may be dispensible for normal RNA-mediated gene silencing.

AlphaFold DB (A0A3B3VYJ5), UniProt , Accession A0A087XQT8, Species POEFO (Poecilia formosa, Amazon molly), Gene CLP1, Length 441 aa.

Structure Viewer
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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
1M34.6Very low33Very low252 Ų252146.3 Ų146.3100%1.24184%0.841SS**  0129.90-74.2-166.5-153.800107.5
2A32Very low33.6Very low94 Ų94144.4 Ų144.478%0.77783%0.826SS**  trans-69.5151.9-168.400000113.5
3A29.1Very low33.9Very low107 Ų107141.2 Ų141.288%0.88483%0.827SS**  trans-133.490.3153.300000106.4
4E32.5Very low34.5Very low182 Ų182133.4 Ų133.485%0.8579%0.785SS**  trans-78.3126.1168.5-76.8176.9156.200108.5
5G28.1Very low35Very low79 Ų79133.9 Ų133.981%0.81480%0.798SS**  trans-77123.617400000110.4
6V30.5Very low35.8Very low137 Ų137129.5 Ų129.583%0.8378%0.776SS**  trans-81.2112.5173.9176.50000108.7
7E35.2Very low37Very low185 Ų185126.4 Ų126.486%0.86478%0.777SS**  trans-69.1127.9167-86.3-178.9154.400110T9E7-T9 PolarHBondContact O-N 2.96Å
8K30.3Very low38.8Very low208 Ų208124 Ų12490%0.90475%0.754SS**  trans-81.4112.7176.3-81.9-179.3175.1178.50110.3
9T35.3Very low41.2Very low109 Ų109122.3 Ų122.367%0.66974%0.743SS**  trans-86.5124.1167.742.80000110.7E7E7-T9 PolarHBondContact O-N 2.96Å
10S35.3Very low43.8Very low94 Ų94116.7 Ų116.766%0.65771%0.71SS**  trans-102.6119.2167.554.50000109.8
11E39.8Very low46.2Very low162 Ų162115.7 Ų115.776%0.75770%0.696SS**  trans-91.5113.7171.1-71-178.2161.300109
12D40.8Very low49.2Very low124 Ų124110.2 Ų110.266%0.66366%0.661SS**EExtended strand (participates in β ladder)trans-107.3128.8171.5-83.6-30.2000109.6S20D12-S20 PolarHBondContact O-OG 3.02Å
13A36.9Very low52.3Low102 Ų102106.6 Ų106.684%0.84363%0.628SS**EExtended strand (participates in β ladder)trans-79.2119.817700000110.5
14S42.2Very low55.6Low33 Ų33106.2 Ų106.223%0.23161%0.611CS.*  trans-85159.5177.778.60000112.5S16 G17 K18S14-S16 PolarHBondContact O-N 3.12Å; S14-S16 PolarHBondContact OG-OG 3.01Å; S14-G17 PolarHBondContact O-N 2.71Å; S14-K18 PolarHBondContact OG-O 3.09Å
15S42Very low58.8Low140 Ų14097.9 Ų97.998%0.97957%0.572SS**THydrogen-bonded Turntrans-60.85.8-179.963.80000116
16S48.1Very low62.1Low64 Ų6499.9 Ų99.945%0.44856%0.561SS.*THydrogen-bonded Turntrans-108.8-1176.767.40000114S14 K18S14-S16 PolarHBondContact O-N 3.12Å; S14-S16 PolarHBondContact OG-OG 3.01Å; S16-K18 PolarHBondContact O-N 3.33Å
17G57Low65.3Low77 Ų77100.3 Ų100.379%0.79455%0.551SS**SBendtrans71.3-8.2-177.500000115S14S14-G17 PolarHBondContact O-N 2.71Å
18K68.9Low68.2Low83 Ų8396.1 Ų96.136%0.36153%0.532SS..SBendtrans-76.9133.5171.5-65.8-175.1-178.1-179.70110.2S14 S16 S20 E45S14-K18 PolarHBondContact OG-O 3.09Å; S16-K18 PolarHBondContact O-N 3.33Å; K18-S20 PolarHBondContact O-N 2.92Å; K18-E45 IonicContact NZ-OE1 2.66Å; K18-E45 PolarHBondContact NZ-OE1 2.83Å
19V85.3Confident71.5Confident91 Ų9186.4 Ų86.455%0.55249%0.49SS*.EExtended strand (participates in β ladder)trans-54.3132.4169.1179.20000108.2G88V19-G88 PolarHBondContact O-N 2.88Å
20S91.6Very high74.4Confident11 Ų1181.6 Ų81.68%0.07746%0.46CS..EExtended strand (participates in β ladder)trans-124.1142.7176.878.60000111.1D12 K18 L86D12-S20 PolarHBondContact O-OG 3.02Å; K18-S20 PolarHBondContact O-N 2.92Å; S20-L86 CarbonylContact C-O 3.57Å; S20-L86 WeakPolarHBondContact CA-O 3.32Å
21K95.7Very high77.4Confident96 Ų9677.1 Ų77.142%0.41743%0.428SS..EExtended strand (participates in β ladder)trans-132120.1178.9-173.8173.3176.6-179.70109.9F23 N85 L86K21-F23 HydrophobicContact CB-CE2 4.02Å; K21-F23 HydrophobicContact CD-CE1 4.3Å; K21-F23 HydrophobicContact CD-CE2 3.9Å; K21-F23 HydrophobicContact CD-CZ 3.54Å; K21-F23 HydrophobicContact CG-CD2 4.39Å; K21-F23 HydrophobicContact CG-CE2 3.68Å; K21-F23 HydrophobicContact CG-CZ 3.83Å; K21-F23 WeakPolarHBondContact O-CD2 3.32Å; K21-F23 WeakPolarHBondContact O-CE2 3.5Å; K21-N85 PolarHBondContact O-OD1 2.93Å; K21-N85 VanDerWaalsContact O-OD1 3.05Å; K21-L86 PolarHBondContact N-O 3.4Å; K21-L86 PolarHBondContact O-N 3.36Å
22R96.9Very high80.2Confident137 Ų13770.3 Ų70.352%0.51740%0.396SS..EExtended strand (participates in β ladder)trans-84.4140.2176.1179.4176.6170.3167.6-1.4110.9D24 S83 V84 N85R22-D24 IonicContact CZ-OD1 3.29Å; R22-D24 IonicContact CZ-OD2 2.67Å; R22-D24 IonicContact NE-OD1 2.68Å; R22-D24 PolarHBondContact NE-OD1 2.93Å; R22-D24 IonicContact NE-OD2 3.56Å; R22-D24 PolarHBondContact NE-OD2 3.23Å; R22-D24 IonicContact NH2-OD1 2.85Å; R22-D24 PolarHBondContact NH2-OD1 3.35Å; R22-D24 IonicContact NH2-OD2 3.56Å; R22-S83 PolarHBondContact NH2-OG 3.43Å; R22-V84 WeakPolarHBondContact CA-O 3.31Å; R22-N85 WeakPolarHBondContact CA-OD1 3.5Å; R22-N85 PolarHBondContact N-OD1 3.41Å
23F97.9Very high82.8Confident18 Ų1864.5 Ų64.58%0.07936%0.364CS..EExtended strand (participates in β ladder)trans-126.1123172.4-63.3-94.3000108.9K21 L25 L31 S83 V84 L86 A93 V95K21-F23 HydrophobicContact CB-CE2 4.02Å; K21-F23 HydrophobicContact CD-CE1 4.3Å; K21-F23 HydrophobicContact CD-CE2 3.9Å; K21-F23 HydrophobicContact CD-CZ 3.54Å; K21-F23 HydrophobicContact CG-CD2 4.39Å; K21-F23 HydrophobicContact CG-CE2 3.68Å; K21-F23 HydrophobicContact CG-CZ 3.83Å; K21-F23 WeakPolarHBondContact O-CD2 3.32Å; K21-F23 WeakPolarHBondContact O-CE2 3.5Å; F23-L25 HydrophobicContact CB-CD1 3.81Å; F23-L31 HydrophobicContact CB-CD1 4.44Å; F23-L31 HydrophobicContact CB-CD2 4.08Å; F23-L31 HydrophobicContact CD1-CD1 3.62Å; F23-L31 HydrophobicContact CD2-CD1 4.18Å; F23-L31 HydrophobicContact CD2-CD2 3.83Å; F23-L31 HydrophobicContact CE1-CD1 3.76Å; F23-L31 HydrophobicContact CE2-CD1 4.32Å; F23-L31 HydrophobicContact CE2-CD2 4.4Å; F23-L31 HydrophobicContact CG-CD1 3.82Å; F23-L31 HydrophobicContact CG-CD2 3.92Å; F23-L31 HydrophobicContact CG-CG 4.49Å; F23-L31 HydrophobicContact CZ-CD1 4.1Å; F23-S83 WeakPolarHBondContact O-CA 3.35Å; F23-V84 PolarHBondContact N-O 3.19Å; F23-V84 PolarHBondContact O-N 3.16Å; F23-L86 HydrophobicContact CD2-CD1 4.36Å; F23-L86 HydrophobicContact CD2-CG 4.23Å; F23-L86 HydrophobicContact CE2-CB 4.33Å; F23-L86 HydrophobicContact CE2-CD1 3.72Å; F23-L86 HydrophobicContact CE2-CG 3.94Å; F23-L86 HydrophobicContact CZ-CD1 4.38Å; F23-A93 HydrophobicContact CZ-CB 3.87Å; F23-V95 HydrophobicContact CD1-CG2 4.15Å
24D98.1Very high85.5Confident98 Ų9861.4 Ų61.452%0.52433%0.333SS..EExtended strand (participates in β ladder)trans-98.5118.7170.4-64.9-56.8000108.2R22 S83R22-D24 IonicContact CZ-OD1 3.29Å; R22-D24 IonicContact CZ-OD2 2.67Å; R22-D24 IonicContact NE-OD1 2.68Å; R22-D24 PolarHBondContact NE-OD1 2.93Å; R22-D24 IonicContact NE-OD2 3.56Å; R22-D24 PolarHBondContact NE-OD2 3.23Å; R22-D24 IonicContact NH2-OD1 2.85Å; R22-D24 PolarHBondContact NH2-OD1 3.35Å; R22-D24 IonicContact NH2-OD2 3.56Å; D24-S83 WeakPolarHBondContact OD1-CB 3.43Å; D24-S83 PolarHBondContact OD1-OG 2.85Å
25L98.3Very high87.9Confident8 Ų860 Ų604%0.04232%0.322CS..EExtended strand (participates in β ladder)trans-103.1128-176.8-74.769.8000108.9F23 T29 L31 V76 T78 G81 C82F23-L25 HydrophobicContact CB-CD1 3.81Å; L25-T29 WeakPolarHBondContact CB-OG1 3.49Å; L25-L31 HydrophobicContact CD1-CB 4.17Å; L25-L31 HydrophobicContact CD2-CB 3.92Å; L25-L31 HydrophobicContact CG-CB 4.39Å; L25-V76 WeakPolarHBondContact CD2-O 3.45Å; L25-T78 HydrophobicContact CB-CG2 3.7Å; L25-T78 HydrophobicContact CD2-CG2 4.21Å; L25-G81 WeakPolarHBondContact O-CA 3.25Å; L25-C82 PolarHBondContact N-O 2.85Å; L25-C82 PolarHBondContact O-N 3.06Å; L25-C82 VanDerWaalsContact O-N 3.09Å
26E98.1Very high90.1Very high121 Ų12158.8 Ų58.857%0.56530%0.301SS*.PPolyproline II helixtrans-69.9164.3168-65.3-178.9160.300110.4E28 T29 T78 K97E26-E28 PolarHBondContact O-N 2.96Å; E26-T29 HydrophobicContact CB-CG2 4.06Å; E26-T29 PolarHBondContact N-OG1 3.23Å; E26-T29 PolarHBondContact O-N 3.38Å; E26-T29 PolarHBondContact O-OG1 3.09Å; E26-T78 VanDerWaalsContact O-CG2 3.26Å; E26-T78 WeakPolarHBondContact O-CG2 3.48Å; E26-K97 IonicContact OE2-NZ 2.74Å; E26-K97 PolarHBondContact OE2-NZ 2.9Å
27K97.7Very high91.8Very high145 Ų14558.5 Ų58.563%0.6330%0.303SS*.THydrogen-bonded Turntrans-52141.6171.867.3176-172.6168.80111.1T29K27-T29 PolarHBondContact O-N 3.42Å
28E97.1Very high92.6Very high98 Ų9856.7 Ų56.746%0.45829%0.285SS..THydrogen-bonded Turntrans61.429.5175.4-55.1175.9165.700114.2E26 F77 T78E26-E28 PolarHBondContact O-N 2.96Å; E28-F77 HydrophobicContact CB-CZ 4.34Å; E28-T78 VanDerWaalsContact CA-O 3.28Å; E28-T78 WeakPolarHBondContact CA-O 3.39Å; E28-T78 PolarHBondContact N-O 2.96Å
29T97.8Very high92.6Very high4 Ų462 Ų623%0.02531%0.311CS..EExtended strand (participates in β ladder)trans-117.2160.5173.868.60000111.2L25 E26 K27 F77 T78 S96 K97L25-T29 WeakPolarHBondContact CB-OG1 3.49Å; E26-T29 HydrophobicContact CB-CG2 4.06Å; E26-T29 PolarHBondContact N-OG1 3.23Å; E26-T29 PolarHBondContact O-N 3.38Å; E26-T29 PolarHBondContact O-OG1 3.09Å; K27-T29 PolarHBondContact O-N 3.42Å; T29-F77 WeakPolarHBondContact O-CD2 3.48Å; T29-T78 PolarHBondContact O-N 3.25Å; T29-T78 VanDerWaalsContact O-N 3.07Å; T29-S96 WeakPolarHBondContact CA-O 3.42Å; T29-S96 WeakPolarHBondContact CB-O 2.87Å; T29-K97 HydrophobicContact CG2-CB 4.26Å; T29-K97 HydrophobicContact CG2-CD 4.31Å; T29-K97 HydrophobicContact CG2-CG 3.79Å
30E97.9Very high92Very high7 Ų762.5 Ų62.53%0.03332%0.324CS..EExtended strand (participates in β ladder)trans-128.3142171.660.1-170-161.700113.1R32 V76 F77 V95 S96 T99E30-R32 HydrophobicContact CG-CG 4.15Å; E30-R32 IonicContact OE1-CZ 3.57Å; E30-R32 IonicContact OE1-NE 3.42Å; E30-R32 PolarHBondContact OE1-NE 3.45Å; E30-R32 IonicContact OE1-NH2 3.67Å; E30-R32 PolarHBondContact OE1-NH2 2.99Å; E30-V76 CarbonylContact C-O 3.51Å; E30-V76 WeakPolarHBondContact CA-O 3.37Å; E30-V76 WeakPolarHBondContact CB-O 3.47Å; E30-F77 HydrophobicContact CB-CB 4.06Å; E30-F77 HydrophobicContact CB-CD2 3.99Å; E30-V95 CarbonylContact O-C 3.55Å; E30-V95 WeakPolarHBondContact O-CA 3.26Å; E30-S96 PolarHBondContact N-O 2.9Å; E30-S96 PolarHBondContact O-N 3.48Å; E30-T99 HydrophobicContact CB-CG2 4.5Å; E30-T99 VanDerWaalsContact CD-CG2 3.5Å; E30-T99 HydrophobicContact CG-CG2 3.61Å
31L98.1Very high91.3Very high0 Ų062.7 Ų62.70%033%0.327CS..EExtended strand (participates in β ladder)trans-84.8119164170.764.3000108.1F23 L25 F33 A75 V76 V84 L86 V95F23-L31 HydrophobicContact CB-CD1 4.44Å; F23-L31 HydrophobicContact CB-CD2 4.08Å; F23-L31 HydrophobicContact CD1-CD1 3.62Å; F23-L31 HydrophobicContact CD2-CD1 4.18Å; F23-L31 HydrophobicContact CD2-CD2 3.83Å; F23-L31 HydrophobicContact CE1-CD1 3.76Å; F23-L31 HydrophobicContact CE2-CD1 4.32Å; F23-L31 HydrophobicContact CE2-CD2 4.4Å; F23-L31 HydrophobicContact CG-CD1 3.82Å; F23-L31 HydrophobicContact CG-CD2 3.92Å; F23-L31 HydrophobicContact CG-CG 4.49Å; F23-L31 HydrophobicContact CZ-CD1 4.1Å; L25-L31 HydrophobicContact CD1-CB 4.17Å; L25-L31 HydrophobicContact CD2-CB 3.92Å; L25-L31 HydrophobicContact CG-CB 4.39Å; L31-F33 HydrophobicContact CD2-CD1 4.47Å; L31-F33 HydrophobicContact CG-CD1 4.32Å; L31-A75 CarbonylContact O-C 3.59Å; L31-A75 WeakPolarHBondContact O-CA 3.34Å; L31-V76 HydrophobicContact CB-CB 4.3Å; L31-V76 PolarHBondContact N-O 3.14Å; L31-V76 PolarHBondContact O-N 3.33Å; L31-V84 HydrophobicContact CD2-CB 4.47Å; L31-V84 HydrophobicContact CD2-CG1 4.25Å; L31-L86 HydrophobicContact CD2-CD1 4.2Å; L31-L86 HydrophobicContact CD2-CD2 4.45Å; L31-L86 HydrophobicContact CD2-CG 4.26Å; L31-V95 HydrophobicContact CD1-CG2 4.32Å
32R97.6Very high90.8Very high19 Ų1964.6 Ų64.67%0.07234%0.342CS..EExtended strand (participates in β ladder)trans-100.7130.4171.9-63.8178.3-177.3154.710.7108.8E30 I74 A75 A93 Y94 S96 D98 G294E30-R32 HydrophobicContact CG-CG 4.15Å; E30-R32 IonicContact OE1-CZ 3.57Å; E30-R32 IonicContact OE1-NE 3.42Å; E30-R32 PolarHBondContact OE1-NE 3.45Å; E30-R32 IonicContact OE1-NH2 3.67Å; E30-R32 PolarHBondContact OE1-NH2 2.99Å; R32-I74 WeakPolarHBondContact CA-O 3.28Å; R32-A75 HydrophobicContact CG-CB 4.37Å; R32-A93 CarbonylContact O-C 3.59Å; R32-A93 VanDerWaalsContact O-CA 3.29Å; R32-A93 WeakPolarHBondContact O-CA 3.46Å; R32-Y94 HydrophobicContact CB-CD1 4.5Å; R32-Y94 HydrophobicContact CB-CE1 4.06Å; R32-Y94 HydrophobicContact CB-CE2 4.22Å; R32-Y94 VanDerWaalsContact CD-OH 3.25Å; R32-Y94 WeakPolarHBondContact CD-OH 3.33Å; R32-Y94 HydrophobicContact CG-CE2 4.44Å; R32-Y94 PolarHBondContact N-O 3.25Å; R32-Y94 PolarHBondContact O-N 2.9Å; R32-S96 PolarHBondContact NH1-OG 3.44Å; R32-S96 PolarHBondContact NH2-OG 3.45Å; R32-D98 PolarHBondContact NH2-O 2.96Å; R32-G294 VanDerWaalsContact NH1-C 3.29Å
33F96Very high90.6Very high2 Ų262.1 Ų62.11%0.00934%0.336CS..EExtended strand (participates in β ladder)trans-143.8151.8171.469.5-87.9000112.5L31 V35 V44 M46 F68 I74 V76 L86 P90 V92 A93L31-F33 HydrophobicContact CD2-CD1 4.47Å; L31-F33 HydrophobicContact CG-CD1 4.32Å; F33-V35 HydrophobicContact CD2-CG2 4.47Å; F33-V35 HydrophobicContact CE2-CG2 4.36Å; F33-V44 HydrophobicContact CD2-CG1 4.4Å; F33-V44 HydrophobicContact CE2-CG1 4.16Å; F33-M46 HydrophobicContact CE1-SD 4.42Å; F33-M46 HydrophobicContact CZ-CB 4.5Å; F33-F68 HydrophobicContact CE2-CB 4.4Å; F33-F68 AromaticContact CE2-CD2 3.91Å; F33-F68 HydrophobicContact CE2-CD2 3.91Å; F33-F68 HydrophobicContact CE2-CG 4.28Å; F33-F68 AromaticContact CZ-CD2 3.6Å; F33-F68 HydrophobicContact CZ-CD2 3.6Å; F33-F68 AromaticContact CZ-CE2 3.75Å; F33-F68 HydrophobicContact CZ-CE2 3.75Å; F33-F68 HydrophobicContact CZ-CG 4.25Å; F33-I74 HydrophobicContact CD1-CB 4.1Å; F33-I74 HydrophobicContact CD1-CG2 4.42Å; F33-I74 HydrophobicContact CD2-CB 4.4Å; F33-I74 HydrophobicContact CE1-CB 3.59Å; F33-I74 HydrophobicContact CE1-CG1 4.35Å; F33-I74 HydrophobicContact CE1-CG2 3.58Å; F33-I74 HydrophobicContact CE2-CB 3.92Å; F33-I74 HydrophobicContact CE2-CG1 3.85Å; F33-I74 HydrophobicContact CG-CB 4.49Å; F33-I74 HydrophobicContact CZ-CB 3.49Å; F33-I74 VanDerWaalsContact CZ-CB 3.49Å; F33-I74 HydrophobicContact CZ-CG1 3.72Å; F33-I74 HydrophobicContact CZ-CG2 3.66Å; F33-I74 PolarHBondContact N-O 2.89Å; F33-I74 PolarHBondContact O-N 2.74Å; F33-V76 HydrophobicContact CE1-CG2 3.88Å; F33-L86 HydrophobicContact CB-CD1 4.12Å; F33-L86 HydrophobicContact CD1-CD1 4.15Å; F33-L86 HydrophobicContact CD1-CD2 4.22Å; F33-L86 HydrophobicContact CE1-CD2 4Å; F33-L86 HydrophobicContact CG-CD1 4.02Å; F33-L86 HydrophobicContact CZ-CD2 4.18Å; F33-P90 HydrophobicContact CB-CB 4.44Å; F33-V92 CarbonylContact C-O 3.59Å; F33-V92 WeakPolarHBondContact CA-O 3.39Å; F33-V92 WeakPolarHBondContact CB-O 3.43Å; F33-A93 HydrophobicContact CB-CB 3.89Å
34E94.2Very high90.4Very high37 Ų3761.3 Ų61.317%0.17333%0.333CS..EExtended strand (participates in β ladder)trans-123.2136.7179.8-58.9-170.1-13600109.4S72 K73 P90 E91 V92E34-S72 WeakPolarHBondContact CA-O 3.36Å; E34-K73 HydrophobicContact CG-CB 4.47Å; E34-K73 HydrophobicContact CG-CG 4.1Å; E34-K73 WeakPolarHBondContact OE2-CE 3.42Å; E34-K73 IonicContact OE2-NZ 3.42Å; E34-P90 WeakPolarHBondContact O-CB 3.47Å; E34-E91 PolarHBondContact O-N 2.75Å; E34-V92 PolarHBondContact N-O 3.36Å
35V91.7Very high90.3Very high3 Ų358.2 Ų58.22%0.01832%0.315CS..PPolyproline II helixtrans-97.5128.9172.8-172.50000107.7F33 A37 D42 V44 F68 G69 G71 S72F33-V35 HydrophobicContact CD2-CG2 4.47Å; F33-V35 HydrophobicContact CE2-CG2 4.36Å; V35-A37 PolarHBondContact O-N 3.43Å; V35-D42 WeakPolarHBondContact CG1-O 3.49Å; V35-V44 HydrophobicContact CG1-CG2 4.21Å; V35-V44 HydrophobicContact CG2-CB 3.93Å; V35-V44 HydrophobicContact CG2-CG2 3.9Å; V35-F68 HydrophobicContact CG2-CB 4.02Å; V35-G69 WeakPolarHBondContact CB-O 3.45Å; V35-G71 WeakPolarHBondContact O-CA 3.46Å; V35-G71 PolarHBondContact O-N 3.32Å; V35-S72 PolarHBondContact N-O 2.8Å
36E88.3Confident90.3Very high115 Ų11557.8 Ų57.854%0.53731%0.313SS..PPolyproline II helixtrans-49.5137.4179.8-174.8173.2-176.500110.6A41 P70 G71 E91E36-A41 HydrophobicContact CB-CB 3.98Å; E36-A41 HydrophobicContact CG-CB 4.17Å; E36-A41 WeakPolarHBondContact O-CB 3.43Å; E36-P70 WeakPolarHBondContact O-CA 3.48Å; E36-P70 WeakPolarHBondContact O-CB 3.45Å; E36-G71 PolarHBondContact O-N 2.85Å; E36-E91 HydrophobicContact CB-CB 4.33Å
37A82.8Confident90.3Very high58 Ų5853.3 Ų53.348%0.47929%0.292SS..PPolyproline II helixtrans-84.5151.2178.100000111.3V35V35-A37 PolarHBondContact O-N 3.43Å
38G74.7Confident90.3Very high40 Ų4046.5 Ų46.541%0.41226%0.262SS..SBendtrans119.7161.1175.200000113.9A40 A41 P70G38-A40 VanDerWaalsContact C-N 3.26Å; G38-A40 PolarHBondContact O-N 3.32Å; G38-A41 WeakPolarHBondContact O-CB 3.5Å; G38-A41 PolarHBondContact O-N 2.91Å; G38-P70 WeakPolarHBondContact O-CB 3.48Å; G38-P70 WeakPolarHBondContact O-CG 3.29Å
39E69.5Low90.3Very high193 Ų19343.6 Ų43.690%0.90225%0.249SC*.THydrogen-bonded Turntrans-67.2-25.1-173.3-65.2-178.216800113.6
40A71.9Confident90.3Very high102 Ų10246 Ų4684%0.84326%0.264SS*.THydrogen-bonded Turntrans-93.7-0.1179.800000113.9G38G38-A40 VanDerWaalsContact C-N 3.26Å; G38-A40 PolarHBondContact O-N 3.32Å
41A78.1Confident90.3Very high16 Ų1647.9 Ų47.913%0.13229%0.286CS..PPolyproline II helixtrans-78.4136.8-176.500000111.8E36 G38 P70E36-A41 HydrophobicContact CB-CB 3.98Å; E36-A41 HydrophobicContact CG-CB 4.17Å; E36-A41 WeakPolarHBondContact O-CB 3.43Å; G38-A41 WeakPolarHBondContact O-CB 3.5Å; G38-A41 PolarHBondContact O-N 2.91Å; A41-P70 HydrophobicContact CB-CB 4.05Å; A41-P70 HydrophobicContact CB-CG 3.87Å; A41-P70 WeakPolarHBondContact O-CG 3.47Å
42D85.1Confident90.2Very high135 Ų13552.5 Ų52.572%0.72231%0.308SS*.PPolyproline II helixtrans-74.3153.8179.2-79.5-37.5000112.2V35V35-D42 WeakPolarHBondContact CG1-O 3.49Å
43Q91Very high90.3Very high86 Ų8651.9 Ų51.940%0.40231%0.308SS..PPolyproline II helixtrans-78.5147.2172.4-62.5177.9-8.300111.2T67 F68Q43-T67 HydrophobicContact CB-CG2 3.93Å; Q43-T67 HydrophobicContact CG-CG2 4.35Å; Q43-F68 CarbonylContact C-O 3.48Å; Q43-F68 WeakPolarHBondContact CA-O 3.46Å; Q43-F68 WeakPolarHBondContact CB-O 3.41Å
44V94.4Very high90.4Very high1 Ų152 Ų521%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-108.4126.5172.6176.20000108.8F33 V35 F68 L86 Y87 P90F33-V44 HydrophobicContact CD2-CG1 4.4Å; F33-V44 HydrophobicContact CE2-CG1 4.16Å; V35-V44 HydrophobicContact CG1-CG2 4.21Å; V35-V44 HydrophobicContact CG2-CB 3.93Å; V35-V44 HydrophobicContact CG2-CG2 3.9Å; V44-F68 PolarHBondContact N-O 2.84Å; V44-F68 PolarHBondContact O-N 2.78Å; V44-L86 HydrophobicContact CG1-CB 4.47Å; V44-L86 HydrophobicContact CG1-CD2 4.31Å; V44-Y87 WeakPolarHBondContact CA-O 3.22Å; V44-P90 HydrophobicContact CG2-CB 4.32Å
45E96.4Very high90.6Very high32 Ų3250.3 Ų50.315%0.1530%0.3CS..EExtended strand (participates in β ladder)trans-96.4144.4171.5-62.4162.8-148.600109.9K18 K65 Y66 T67 L86 Y87K18-E45 IonicContact NZ-OE1 2.66Å; K18-E45 PolarHBondContact NZ-OE1 2.83Å; E45-K65 WeakPolarHBondContact OE2-CD 3.34Å; E45-K65 IonicContact OE2-NZ 2.78Å; E45-K65 PolarHBondContact OE2-NZ 3.33Å; E45-Y66 CarbonylContact C-O 3.5Å; E45-Y66 VanDerWaalsContact CA-O 3.23Å; E45-Y66 WeakPolarHBondContact CA-O 3.39Å; E45-T67 HydrophobicContact CG-CG2 4.4Å; E45-L86 CarbonylContact O-C 3.48Å; E45-L86 WeakPolarHBondContact O-CA 3.4Å; E45-Y87 HydrophobicContact CB-CD2 4.15Å; E45-Y87 PolarHBondContact N-O 2.89Å; E45-Y87 PolarHBondContact O-N 3.31Å
46M97.1Very high90.8Very high0 Ų051.9 Ų51.90%031%0.307CS..EExtended strand (participates in β ladder)trans-125.3137175.5-179.9-152.865.200109.7F33 L60 K65 Y66 F68 V76 V84 N85 L86F33-M46 HydrophobicContact CE1-SD 4.42Å; F33-M46 HydrophobicContact CZ-CB 4.5Å; M46-L60 HydrophobicContact CE-CD1 3.44Å; M46-L60 VanDerWaalsContact CE-CD1 3.44Å; M46-L60 HydrophobicContact CE-CD2 3.82Å; M46-L60 HydrophobicContact CE-CG 4.28Å; M46-L60 HydrophobicContact SD-CD1 4.02Å; M46-K65 CarbonylContact O-C 3.5Å; M46-K65 WeakPolarHBondContact O-CA 3.36Å; M46-Y66 HydrophobicContact CE-CD2 3.4Å; M46-Y66 HydrophobicContact CE-CE2 4.13Å; M46-Y66 HydrophobicContact CE-CG 3.93Å; M46-Y66 PolarHBondContact N-O 3.29Å; M46-Y66 PolarHBondContact O-N 3.35Å; M46-F68 HydrophobicContact CB-CD2 4.34Å; M46-F68 HydrophobicContact CB-CE2 3.79Å; M46-F68 HydrophobicContact CE-CE2 4.19Å; M46-F68 HydrophobicContact CE-CZ 4.36Å; M46-F68 HydrophobicContact SD-CE2 4.25Å; M46-V76 HydrophobicContact SD-CB 4.41Å; M46-V76 HydrophobicContact SD-CG1 4.23Å; M46-V76 HydrophobicContact SD-CG2 3.31Å; M46-V76 WeakPolarHBondContact SD-CG2 3.38Å; M46-V84 HydrophobicContact CG-CG1 3.4Å; M46-V84 HydrophobicContact SD-CG1 4.1Å; M46-N85 CarbonylContact C-O 3.58Å; M46-N85 WeakPolarHBondContact CA-O 3.34Å; M46-L86 HydrophobicContact CB-CD2 3.71Å; M46-L86 HydrophobicContact CG-CD2 3.74Å
47E98.1Very high91.1Very high27 Ų2746.4 Ų46.413%0.12628%0.281CS..EExtended strand (participates in β ladder)trans-132.1129.4177.3-172.2177.4166.300111.3L49 N63 K65 V84 N85 Y87E47-L49 HydrophobicContact CG-CD2 4.18Å; E47-L49 PolarHBondContact O-N 2.84Å; E47-N63 WeakPolarHBondContact OE1-CA 3.47Å; E47-K65 HydrophobicContact CB-CG 4.17Å; E47-K65 HydrophobicContact CG-CG 4.28Å; E47-K65 WeakPolarHBondContact OE2-CE 3.27Å; E47-V84 CarbonylContact O-C 3.27Å; E47-V84 WeakPolarHBondContact O-CA 3.19Å; E47-N85 PolarHBondContact N-O 2.91Å; E47-N85 PolarHBondContact O-N 3.4Å; E47-Y87 HydrophobicContact CB-CE2 3.9Å; E47-Y87 PolarHBondContact OE2-OH 3.37Å; E47-Y87 VanDerWaalsContact OE2-OH 3.1Å
48L98.1Very high91.8Very high1 Ų143.8 Ų43.81%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-80.1115170.3177.467.5000109.6T50 A53 L60 R62 N63 C82 V84L48-T50 VanDerWaalsContact CD1-O 3.27Å; L48-T50 WeakPolarHBondContact CD1-O 3.44Å; L48-A53 HydrophobicContact CD1-CB 3.97Å; L48-L60 HydrophobicContact CB-CB 4.19Å; L48-L60 HydrophobicContact CB-CD1 4.46Å; L48-L60 HydrophobicContact CD2-CB 3.88Å; L48-L60 WeakPolarHBondContact CD2-O 3.48Å; L48-R62 WeakPolarHBondContact O-CA 3.31Å; L48-N63 PolarHBondContact O-N 3.27Å; L48-C82 HydrophobicContact CD1-CB 3.78Å; L48-V84 HydrophobicContact CD1-CG2 4.1Å
49L97.8Very high92.8Very high37 Ų3747 Ų4719%0.19426%0.264CS..EExtended strand (participates in β ladder)trans-87.8-43.3-178.4-56.5-179000112.6E47 R62 S83 N85E47-L49 HydrophobicContact CG-CD2 4.18Å; E47-L49 PolarHBondContact O-N 2.84Å; L49-R62 PolarHBondContact O-NE 2.95Å; L49-R62 PolarHBondContact O-NH2 3.08Å; L49-S83 WeakPolarHBondContact CB-O 3.39Å; L49-S83 PolarHBondContact N-O 3Å; L49-N85 HydrophobicContact CD1-CB 4.07Å; L49-N85 HydrophobicContact CD2-CB 4.24Å; L49-N85 HydrophobicContact CG-CB 4.19Å
50T97.6Very high94.1Very high55 Ų5538.4 Ų38.434%0.33722%0.224SC..EExtended strand (participates in β ladder)trans-149.8160.4-176.366.70000111L48 C82 S83L48-T50 VanDerWaalsContact CD1-O 3.27Å; L48-T50 WeakPolarHBondContact CD1-O 3.44Å; T50-C82 VanDerWaalsContact O-CA 3.31Å; T50-C82 WeakPolarHBondContact O-CA 3.06Å; T50-C82 VanDerWaalsContact O-CB 3.25Å; T50-C82 WeakPolarHBondContact O-CB 3.32Å; T50-S83 PolarHBondContact N-O 3.21Å; T50-S83 PolarHBondContact O-N 2.89Å; T50-S83 VanDerWaalsContact O-N 3.08Å; T50-S83 VanDerWaalsContact OG1-CB 3.23Å; T50-S83 WeakPolarHBondContact OG1-CB 3.45Å; T50-S83 PolarHBondContact OG1-N 3.37Å; T50-S83 PolarHBondContact OG1-OG 2.57Å
51G97.4Very high95.3Very high47 Ų4738.4 Ų38.449%0.48521%0.21SC..EExtended strand (participates in β ladder)trans76.5-156.8178.500000113.2
52M97.6Very high96.2Very high96 Ų9645.2 Ų45.247%0.47323%0.232SC..  trans-128.7137.9177.9-68.3-171.7-70.400109.8T78 Q80M52-T78 VanDerWaalsContact O-CB 3.25Å; M52-T78 WeakPolarHBondContact O-CB 3.32Å; M52-T78 PolarHBondContact O-OG1 3.45Å; M52-Q80 HydrophobicContact CE-CG 4.14Å
53A98.2Very high96.6Very high7 Ų743.7 Ų43.76%0.05822%0.224CC..  trans-147.5160.517800000110.3L48 L60 V76 F77 C82L48-A53 HydrophobicContact CD1-CB 3.97Å; A53-L60 HydrophobicContact CB-CD1 3.94Å; A53-L60 HydrophobicContact CB-CG 4.42Å; A53-L60 WeakPolarHBondContact O-CB 3.36Å; A53-L60 PolarHBondContact O-N 3Å; A53-V76 HydrophobicContact CB-CG1 3.91Å; A53-F77 CarbonylContact C-O 3.53Å; A53-F77 VanDerWaalsContact CA-O 3.24Å; A53-F77 WeakPolarHBondContact CA-O 3.37Å; A53-C82 HydrophobicContact CB-CB 4.26Å
54E98.1Very high96.9Very high5 Ų543.3 Ų43.32%0.02322%0.221CC..EExtended strand (participates in β ladder)trans-139.1149177.859.7-177.2-146.400111.7S58 F77 W79 Y148 R151E54-S58 CarbonylContact C-O 3.59Å; E54-S58 WeakPolarHBondContact CA-O 3.49Å; E54-S58 VanDerWaalsContact CB-O 3.3Å; E54-S58 WeakPolarHBondContact CB-O 3.19Å; E54-F77 HydrophobicContact CG-CB 4.5Å; E54-F77 HydrophobicContact CG-CD1 4.45Å; E54-F77 PolarHBondContact N-O 2.79Å; E54-F77 PolarHBondContact O-N 2.99Å; E54-W79 PolarHBondContact OE1-NE1 3.21Å; E54-Y148 WeakPolarHBondContact OE1-CE1 3.37Å; E54-Y148 PolarHBondContact OE1-OH 3.12Å; E54-R151 IonicContact OE2-CZ 2.99Å; E54-R151 IonicContact OE2-NH1 3.85Å; E54-R151 PolarHBondContact OE2-NH1 3.15Å; E54-R151 IonicContact OE2-NH2 3.74Å
55V97.9Very high96.9Very high0 Ų047.1 Ų47.10%024%0.238CC..EExtended strand (participates in β ladder)trans-112.2111.7169.7173.10000107.3G57 S58 L60 I74 V76 V185V55-G57 PolarHBondContact O-N 3.17Å; V55-G57 VanDerWaalsContact O-N 3.16Å; V55-S58 PolarHBondContact N-O 2.9Å; V55-S58 WeakPolarHBondContact O-CB 3.39Å; V55-S58 PolarHBondContact O-N 3.46Å; V55-L60 HydrophobicContact CB-CD2 4.49Å; V55-L60 HydrophobicContact CG2-CD1 4.34Å; V55-L60 HydrophobicContact CG2-CD2 3.97Å; V55-L60 HydrophobicContact CG2-CG 4.47Å; V55-I74 HydrophobicContact CG1-CG2 4.02Å; V55-I74 HydrophobicContact CG2-CG2 4.19Å; V55-V76 HydrophobicContact CG2-CB 4.43Å; V55-V76 HydrophobicContact CG2-CG1 4.46Å; V55-V76 HydrophobicContact CG2-CG2 3.97Å; V55-V185 HydrophobicContact CB-CG1 4.06Å; V55-V185 HydrophobicContact CG1-CG1 4.28Å; V55-V185 HydrophobicContact CG2-CG1 4.14Å
56F96Very high96.9Very high36 Ų3645.8 Ų45.816%0.15823%0.231CC..THydrogen-bonded Turntrans49.542.7179.3-48.2-46.7000113.9A75 T140 R143 M144F56-A75 HydrophobicContact CE1-CB 3.91Å; F56-A75 HydrophobicContact CZ-CB 4.38Å; F56-T140 HydrophobicContact CB-CG2 4.42Å; F56-T140 HydrophobicContact CD1-CG2 3.3Å; F56-T140 HydrophobicContact CE1-CG2 3.59Å; F56-T140 HydrophobicContact CG-CG2 3.89Å; F56-T140 HydrophobicContact CZ-CG2 4.38Å; F56-R143 HydrophobicContact CB-CG 4.25Å; F56-M144 VanDerWaalsContact C-CG 3.45Å; F56-M144 HydrophobicContact CB-CG 4.1Å; F56-M144 WeakPolarHBondContact O-CA 3.45Å
57G95.7Very high96.7Very high0 Ų047.4 Ų47.40%024%0.241CC..THydrogen-bonded Turntrans88.4-5.8177.900000115.5V55 R151V55-G57 PolarHBondContact O-N 3.17Å; V55-G57 VanDerWaalsContact O-N 3.16Å; G57-R151 WeakPolarHBondContact O-CD 3.4Å; G57-R151 PolarHBondContact O-NH1 3.22Å
58S96.3Very high96.5Very high3 Ų346.4 Ų46.42%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-90.9121.1175.5-60.40000111.1E54 V55 A183E54-S58 CarbonylContact C-O 3.59Å; E54-S58 WeakPolarHBondContact CA-O 3.49Å; E54-S58 VanDerWaalsContact CB-O 3.3Å; E54-S58 WeakPolarHBondContact CB-O 3.19Å; V55-S58 PolarHBondContact N-O 2.9Å; V55-S58 WeakPolarHBondContact O-CB 3.39Å; V55-S58 PolarHBondContact O-N 3.46Å; S58-A183 VanDerWaalsContact CB-O 3.23Å; S58-A183 WeakPolarHBondContact CB-O 3.43Å; S58-A183 PolarHBondContact OG-O 2.96Å
59E96.8Very high96.1Very high107 Ų10746.4 Ų46.450%0.524%0.236SC..EExtended strand (participates in β ladder)trans-68.8136.4-178.4-70171.1127.800111.8R151E59-R151 VanDerWaalsContact CD-CZ 3.42Å; E59-R151 VanDerWaalsContact CG-CZ 3.48Å; E59-R151 IonicContact OE1-CZ 2.79Å; E59-R151 IonicContact OE1-NE 2.66Å; E59-R151 IonicContact OE1-NH2 3.66Å; E59-R151 PolarHBondContact OE1-NH2 2.9Å; E59-R151 IonicContact OE2-CZ 2.88Å; E59-R151 IonicContact OE2-NE 3.98Å; E59-R151 PolarHBondContact OE2-NE 3.41Å; E59-R151 IonicContact OE2-NH2 2.83Å
60L97.2Very high95.6Very high14 Ų1447 Ų477%0.07324%0.242CC..PPolyproline II helixtrans-86.5128.4176.3-60.5-172.4000110.6M46 L48 A53 V55 Y66 V76 V185M46-L60 HydrophobicContact CE-CD1 3.44Å; M46-L60 VanDerWaalsContact CE-CD1 3.44Å; M46-L60 HydrophobicContact CE-CD2 3.82Å; M46-L60 HydrophobicContact CE-CG 4.28Å; M46-L60 HydrophobicContact SD-CD1 4.02Å; L48-L60 HydrophobicContact CB-CB 4.19Å; L48-L60 HydrophobicContact CB-CD1 4.46Å; L48-L60 HydrophobicContact CD2-CB 3.88Å; L48-L60 WeakPolarHBondContact CD2-O 3.48Å; A53-L60 HydrophobicContact CB-CD1 3.94Å; A53-L60 HydrophobicContact CB-CG 4.42Å; A53-L60 WeakPolarHBondContact O-CB 3.36Å; A53-L60 PolarHBondContact O-N 3Å; V55-L60 HydrophobicContact CB-CD2 4.49Å; V55-L60 HydrophobicContact CG2-CD1 4.34Å; V55-L60 HydrophobicContact CG2-CD2 3.97Å; V55-L60 HydrophobicContact CG2-CG 4.47Å; L60-Y66 HydrophobicContact CB-CE2 4.4Å; L60-Y66 HydrophobicContact CD2-CD2 4.34Å; L60-Y66 HydrophobicContact CD2-CE1 4.48Å; L60-Y66 HydrophobicContact CD2-CE2 3.92Å; L60-V76 HydrophobicContact CD1-CG1 3.72Å; L60-V185 HydrophobicContact CD2-CB 4.45Å; L60-V185 HydrophobicContact CD2-CG1 4.07Å; L60-V185 HydrophobicContact CD2-CG2 3.55Å
61N96.4Very high95.1Very high102 Ų10246.1 Ų46.155%0.54524%0.244SC..PPolyproline II helixtrans-73.2131166.6-63.7-52.1000111.1K64 Y66N61-K64 HydrophobicContact CB-CB 3.93Å; N61-K64 HydrophobicContact CB-CD 4.48Å; N61-K64 PolarHBondContact O-N 3.4Å; N61-Y66 PolarHBondContact N-OH 3.5Å
62R96.8Very high94.8Very high158 Ų15845.3 Ų45.360%0.59623%0.231SC*.BIsolated β-bridgetrans-60.5138.1174.7-171-179.1179.6-174.20.1110.9L48 L49 K64L48-R62 WeakPolarHBondContact O-CA 3.31Å; L49-R62 PolarHBondContact O-NE 2.95Å; L49-R62 PolarHBondContact O-NH2 3.08Å; R62-K64 PolarHBondContact O-N 3.38Å; R62-K64 VanDerWaalsContact O-N 3.11Å
63N94.5Very high94.5Very high103 Ų10344 Ų4455%0.55122%0.223SC*.THydrogen-bonded Turntrans59.512.3-178.9-48.1-29.8000114.8E47 L48E47-N63 WeakPolarHBondContact OE1-CA 3.47Å; L48-N63 PolarHBondContact O-N 3.27Å
64K95.9Very high94.4Very high78 Ų7844.5 Ų44.534%0.33923%0.225SC..  trans-89.4130.6166.8-179.8174.7169.7-1690108.2N61 R62 Y66N61-K64 HydrophobicContact CB-CB 3.93Å; N61-K64 HydrophobicContact CB-CD 4.48Å; N61-K64 PolarHBondContact O-N 3.4Å; R62-K64 PolarHBondContact O-N 3.38Å; R62-K64 VanDerWaalsContact O-N 3.11Å; K64-Y66 HydrophobicContact CB-CE2 4.02Å; K64-Y66 HydrophobicContact CD-CE1 3.77Å; K64-Y66 HydrophobicContact CD-CE2 4.4Å; K64-Y66 HydrophobicContact CG-CE1 4.21Å; K64-Y66 HydrophobicContact CG-CE2 4.04Å; K64-Y66 WeakPolarHBondContact O-CD2 3.14Å; K64-Y66 VanDerWaalsContact O-CE2 3.29Å; K64-Y66 WeakPolarHBondContact O-CE2 3.22Å
65K95.4Very high94.4Very high82 Ų8244.9 Ų44.936%0.35723%0.229SC..EExtended strand (participates in β ladder)trans-84.8136.3169.7-70.6179.4158.7-146.80110.3E45 M46 E47E45-K65 WeakPolarHBondContact OE2-CD 3.34Å; E45-K65 IonicContact OE2-NZ 2.78Å; E45-K65 PolarHBondContact OE2-NZ 3.33Å; M46-K65 CarbonylContact O-C 3.5Å; M46-K65 WeakPolarHBondContact O-CA 3.36Å; E47-K65 HydrophobicContact CB-CG 4.17Å; E47-K65 HydrophobicContact CG-CG 4.28Å; E47-K65 WeakPolarHBondContact OE2-CE 3.27Å
66Y95.7Very high94.4Very high3 Ų344.9 Ų44.91%0.01223%0.229CC..EExtended strand (participates in β ladder)trans-120.3135.1174.1-56.5-91.6000108.7E45 M46 L60 N61 K64 V185 E186E45-Y66 CarbonylContact C-O 3.5Å; E45-Y66 VanDerWaalsContact CA-O 3.23Å; E45-Y66 WeakPolarHBondContact CA-O 3.39Å; M46-Y66 HydrophobicContact CE-CD2 3.4Å; M46-Y66 HydrophobicContact CE-CE2 4.13Å; M46-Y66 HydrophobicContact CE-CG 3.93Å; M46-Y66 PolarHBondContact N-O 3.29Å; M46-Y66 PolarHBondContact O-N 3.35Å; L60-Y66 HydrophobicContact CB-CE2 4.4Å; L60-Y66 HydrophobicContact CD2-CD2 4.34Å; L60-Y66 HydrophobicContact CD2-CE1 4.48Å; L60-Y66 HydrophobicContact CD2-CE2 3.92Å; N61-Y66 PolarHBondContact N-OH 3.5Å; K64-Y66 HydrophobicContact CB-CE2 4.02Å; K64-Y66 HydrophobicContact CD-CE1 3.77Å; K64-Y66 HydrophobicContact CD-CE2 4.4Å; K64-Y66 HydrophobicContact CG-CE1 4.21Å; K64-Y66 HydrophobicContact CG-CE2 4.04Å; K64-Y66 WeakPolarHBondContact O-CD2 3.14Å; K64-Y66 VanDerWaalsContact O-CE2 3.29Å; K64-Y66 WeakPolarHBondContact O-CE2 3.22Å; Y66-V185 HydrophobicContact CD1-CB 3.62Å; Y66-V185 HydrophobicContact CD1-CG1 3.77Å; Y66-V185 HydrophobicContact CD1-CG2 4.05Å; Y66-V185 HydrophobicContact CE1-CB 3.81Å; Y66-V185 HydrophobicContact CE1-CG1 4.29Å; Y66-V185 HydrophobicContact CE1-CG2 3.71Å; Y66-V185 HydrophobicContact CG-CB 4.42Å; Y66-V185 HydrophobicContact CG-CG1 4.08Å; Y66-E186 HydrophobicContact CD1-CG 4.27Å
67T94Very high94.5Very high34 Ų3443.4 Ų43.421%0.20922%0.222CC..EExtended strand (participates in β ladder)trans-111.2116.4-171.5-51.10000110.8Q43 E45 E186Q43-T67 HydrophobicContact CB-CG2 3.93Å; Q43-T67 HydrophobicContact CG-CG2 4.35Å; E45-T67 HydrophobicContact CG-CG2 4.4Å; T67-E186 WeakPolarHBondContact CA-OE1 3.41Å; T67-E186 WeakPolarHBondContact CB-OE1 3.35Å; T67-E186 PolarHBondContact N-OE1 3.33Å
68F93.3Very high94.7Very high7 Ų743.4 Ų43.43%0.03122%0.222CC..EExtended strand (participates in β ladder)trans-107.6139.5175.6-54.3-79.3000108.7F33 V35 Q43 V44 M46 I74 V185F33-F68 HydrophobicContact CE2-CB 4.4Å; F33-F68 AromaticContact CE2-CD2 3.91Å; F33-F68 HydrophobicContact CE2-CD2 3.91Å; F33-F68 HydrophobicContact CE2-CG 4.28Å; F33-F68 AromaticContact CZ-CD2 3.6Å; F33-F68 HydrophobicContact CZ-CD2 3.6Å; F33-F68 AromaticContact CZ-CE2 3.75Å; F33-F68 HydrophobicContact CZ-CE2 3.75Å; F33-F68 HydrophobicContact CZ-CG 4.25Å; V35-F68 HydrophobicContact CG2-CB 4.02Å; Q43-F68 CarbonylContact C-O 3.48Å; Q43-F68 WeakPolarHBondContact CA-O 3.46Å; Q43-F68 WeakPolarHBondContact CB-O 3.41Å; V44-F68 PolarHBondContact N-O 2.84Å; V44-F68 PolarHBondContact O-N 2.78Å; M46-F68 HydrophobicContact CB-CD2 4.34Å; M46-F68 HydrophobicContact CB-CE2 3.79Å; M46-F68 HydrophobicContact CE-CE2 4.19Å; M46-F68 HydrophobicContact CE-CZ 4.36Å; M46-F68 HydrophobicContact SD-CE2 4.25Å; F68-I74 HydrophobicContact CB-CG1 4.45Å; F68-I74 HydrophobicContact CD1-CD1 3.42Å; F68-I74 VanDerWaalsContact CD1-CD1 3.42Å; F68-I74 HydrophobicContact CD1-CG1 3.63Å; F68-I74 HydrophobicContact CD2-CG1 4.4Å; F68-I74 HydrophobicContact CE1-CD1 3.52Å; F68-I74 HydrophobicContact CE1-CG1 3.87Å; F68-I74 HydrophobicContact CE1-CG2 4.31Å; F68-I74 HydrophobicContact CG-CD1 4.2Å; F68-I74 HydrophobicContact CG-CG1 3.9Å; F68-I74 HydrophobicContact CZ-CD1 4.37Å; F68-I74 HydrophobicContact CZ-CG1 4.33Å; F68-I74 HydrophobicContact CZ-CG2 4.14Å; F68-V185 HydrophobicContact CE1-CG1 4.02Å; F68-V185 HydrophobicContact CZ-CG1 3.65Å
69G89.4Confident94.7Very high0 Ų046.5 Ų46.50%023%0.233CC..  trans-124.1-164.9-179.600000112.5V35 G71 S72 R320V35-G69 WeakPolarHBondContact CB-O 3.45Å; G69-G71 PolarHBondContact O-N 3.45Å; G69-S72 PolarHBondContact N-OG 2.79Å; G69-S72 WeakPolarHBondContact O-CB 3.43Å; G69-S72 PolarHBondContact O-N 3.23Å; G69-S72 PolarHBondContact O-OG 2.87Å; G69-R320 VanDerWaalsContact CA-NH2 3.31Å
70P87.3Confident94.8Very high49 Ų4948.2 Ų48.232%0.31824%0.241SC..THydrogen-bonded Turntrans-53.8134-160.8-32.337.8000113.9E36 G38 A41 S72E36-P70 WeakPolarHBondContact O-CA 3.48Å; E36-P70 WeakPolarHBondContact O-CB 3.45Å; G38-P70 WeakPolarHBondContact O-CB 3.48Å; G38-P70 WeakPolarHBondContact O-CG 3.29Å; A41-P70 HydrophobicContact CB-CB 4.05Å; A41-P70 HydrophobicContact CB-CG 3.87Å; A41-P70 WeakPolarHBondContact O-CG 3.47Å; P70-S72 VanDerWaalsContact C-N 3.27Å; P70-S72 PolarHBondContact O-N 3.2Å
71G87.1Confident94.8Very high37 Ų3748.3 Ų48.338%0.38125%0.246SC..THydrogen-bonded Turntrans76.63.5-179.400000115.7V35 E36 G69V35-G71 WeakPolarHBondContact O-CA 3.46Å; V35-G71 PolarHBondContact O-N 3.32Å; E36-G71 PolarHBondContact O-N 2.85Å; G69-G71 PolarHBondContact O-N 3.45Å
72S90.6Very high94.9Very high30 Ų3043.8 Ų43.821%0.2122%0.222CC..  trans-68.4134.2176.1-61.80000111.2E34 V35 G69 P70E34-S72 WeakPolarHBondContact CA-O 3.36Å; V35-S72 PolarHBondContact N-O 2.8Å; G69-S72 PolarHBondContact N-OG 2.79Å; G69-S72 WeakPolarHBondContact O-CB 3.43Å; G69-S72 PolarHBondContact O-N 3.23Å; G69-S72 PolarHBondContact O-OG 2.87Å; P70-S72 VanDerWaalsContact C-N 3.27Å; P70-S72 PolarHBondContact O-N 3.2Å
73K92.9Very high95Very high68 Ų6836.7 Ų36.730%0.29620%0.197SC..EExtended strand (participates in β ladder)trans-124.1111.2176.7-58.1-175178.9-171.30108.9E34 V297E34-K73 HydrophobicContact CG-CB 4.47Å; E34-K73 HydrophobicContact CG-CG 4.1Å; E34-K73 WeakPolarHBondContact OE2-CE 3.42Å; E34-K73 IonicContact OE2-NZ 3.42Å; K73-V297 HydrophobicContact CD-CB 3.92Å; K73-V297 HydrophobicContact CD-CG2 3.93Å
74I96.1Very high95.1Very high19 Ų1931.8 Ų31.810%0.09717%0.171CC..EExtended strand (participates in β ladder)trans-123.5140.5-165.2-51.1-61000110R32 F33 V55 F68 V76R32-I74 WeakPolarHBondContact CA-O 3.28Å; F33-I74 HydrophobicContact CD1-CB 4.1Å; F33-I74 HydrophobicContact CD1-CG2 4.42Å; F33-I74 HydrophobicContact CD2-CB 4.4Å; F33-I74 HydrophobicContact CE1-CB 3.59Å; F33-I74 HydrophobicContact CE1-CG1 4.35Å; F33-I74 HydrophobicContact CE1-CG2 3.58Å; F33-I74 HydrophobicContact CE2-CB 3.92Å; F33-I74 HydrophobicContact CE2-CG1 3.85Å; F33-I74 HydrophobicContact CG-CB 4.49Å; F33-I74 HydrophobicContact CZ-CB 3.49Å; F33-I74 VanDerWaalsContact CZ-CB 3.49Å; F33-I74 HydrophobicContact CZ-CG1 3.72Å; F33-I74 HydrophobicContact CZ-CG2 3.66Å; F33-I74 PolarHBondContact N-O 2.89Å; F33-I74 PolarHBondContact O-N 2.74Å; V55-I74 HydrophobicContact CG1-CG2 4.02Å; V55-I74 HydrophobicContact CG2-CG2 4.19Å; F68-I74 HydrophobicContact CB-CG1 4.45Å; F68-I74 HydrophobicContact CD1-CD1 3.42Å; F68-I74 VanDerWaalsContact CD1-CD1 3.42Å; F68-I74 HydrophobicContact CD1-CG1 3.63Å; F68-I74 HydrophobicContact CD2-CG1 4.4Å; F68-I74 HydrophobicContact CE1-CD1 3.52Å; F68-I74 HydrophobicContact CE1-CG1 3.87Å; F68-I74 HydrophobicContact CE1-CG2 4.31Å; F68-I74 HydrophobicContact CG-CD1 4.2Å; F68-I74 HydrophobicContact CG-CG1 3.9Å; F68-I74 HydrophobicContact CZ-CD1 4.37Å; F68-I74 HydrophobicContact CZ-CG1 4.33Å; F68-I74 HydrophobicContact CZ-CG2 4.14Å; I74-V76 HydrophobicContact CG2-CG2 4.17Å
75A97.3Very high95.2Very high13 Ų1328.7 Ų28.711%0.10716%0.158CC..EExtended strand (participates in β ladder)trans-124.1120.8168.200000109.1L31 R32 F56L31-A75 CarbonylContact O-C 3.59Å; L31-A75 WeakPolarHBondContact O-CA 3.34Å; R32-A75 HydrophobicContact CG-CB 4.37Å; F56-A75 HydrophobicContact CE1-CB 3.91Å; F56-A75 HydrophobicContact CZ-CB 4.38Å
76V98.1Very high95.3Very high0 Ų024.9 Ų24.90%014%0.141CC..EExtended strand (participates in β ladder)trans-104106.6178-172.90000107.5L25 E30 L31 F33 M46 A53 V55 L60 I74 V84L25-V76 WeakPolarHBondContact CD2-O 3.45Å; E30-V76 CarbonylContact C-O 3.51Å; E30-V76 WeakPolarHBondContact CA-O 3.37Å; E30-V76 WeakPolarHBondContact CB-O 3.47Å; L31-V76 HydrophobicContact CB-CB 4.3Å; L31-V76 PolarHBondContact N-O 3.14Å; L31-V76 PolarHBondContact O-N 3.33Å; F33-V76 HydrophobicContact CE1-CG2 3.88Å; M46-V76 HydrophobicContact SD-CB 4.41Å; M46-V76 HydrophobicContact SD-CG1 4.23Å; M46-V76 HydrophobicContact SD-CG2 3.31Å; M46-V76 WeakPolarHBondContact SD-CG2 3.38Å; A53-V76 HydrophobicContact CB-CG1 3.91Å; V55-V76 HydrophobicContact CG2-CB 4.43Å; V55-V76 HydrophobicContact CG2-CG1 4.46Å; V55-V76 HydrophobicContact CG2-CG2 3.97Å; L60-V76 HydrophobicContact CD1-CG1 3.72Å; I74-V76 HydrophobicContact CG2-CG2 4.17Å; V76-V84 HydrophobicContact CG1-CG2 4.14Å
77F98.4Very high95.3Very high5 Ų525.8 Ų25.82%0.02215%0.145CC..EExtended strand (participates in β ladder)trans-102.6149.2-175.6-179.3-92000111.3E28 T29 E30 A53 E54 W79 T99 M101E28-F77 HydrophobicContact CB-CZ 4.34Å; T29-F77 WeakPolarHBondContact O-CD2 3.48Å; E30-F77 HydrophobicContact CB-CB 4.06Å; E30-F77 HydrophobicContact CB-CD2 3.99Å; A53-F77 CarbonylContact C-O 3.53Å; A53-F77 VanDerWaalsContact CA-O 3.24Å; A53-F77 WeakPolarHBondContact CA-O 3.37Å; E54-F77 HydrophobicContact CG-CB 4.5Å; E54-F77 HydrophobicContact CG-CD1 4.45Å; E54-F77 PolarHBondContact N-O 2.79Å; E54-F77 PolarHBondContact O-N 2.99Å; F77-W79 HydrophobicContact CD1-CD2 4.41Å; F77-W79 HydrophobicContact CD1-CZ2 4.48Å; F77-W79 AromaticContact CE1-CD2 3.47Å; F77-W79 HydrophobicContact CE1-CD2 3.47Å; F77-W79 VanDerWaalsContact CE1-CD2 3.47Å; F77-W79 AromaticContact CE1-CE2 3.46Å; F77-W79 VanDerWaalsContact CE1-CE2 3.46Å; F77-W79 AromaticContact CE1-CE3 3.75Å; F77-W79 HydrophobicContact CE1-CE3 3.75Å; F77-W79 AromaticContact CE1-CG 3.87Å; F77-W79 HydrophobicContact CE1-CG 3.87Å; F77-W79 HydrophobicContact CE1-CH2 4.03Å; F77-W79 AromaticContact CE1-CZ2 3.77Å; F77-W79 HydrophobicContact CE1-CZ2 3.77Å; F77-W79 HydrophobicContact CE1-CZ3 4.02Å; F77-W79 AromaticContact CE1-NE1 3.83Å; F77-W79 HydrophobicContact CZ-CD2 4.24Å; F77-W79 HydrophobicContact CZ-CE3 4.06Å; F77-W79 HydrophobicContact CZ-CH2 4.23Å; F77-W79 HydrophobicContact CZ-CZ2 4.41Å; F77-W79 HydrophobicContact CZ-CZ3 4.05Å; F77-T99 HydrophobicContact CD2-CG2 4.44Å; F77-T99 HydrophobicContact CE2-CG2 4.37Å; F77-M101 HydrophobicContact CB-CE 4.1Å; F77-M101 HydrophobicContact CD1-CE 3.6Å; F77-M101 HydrophobicContact CD1-CG 4.34Å; F77-M101 HydrophobicContact CD2-CB 4.21Å; F77-M101 HydrophobicContact CD2-CE 4.33Å; F77-M101 HydrophobicContact CD2-CG 3.52Å; F77-M101 HydrophobicContact CD2-SD 4.46Å; F77-M101 HydrophobicContact CE1-CB 4.19Å; F77-M101 HydrophobicContact CE1-CE 4.07Å; F77-M101 HydrophobicContact CE1-CG 4.34Å; F77-M101 HydrophobicContact CE2-CB 3.71Å; F77-M101 HydrophobicContact CE2-CG 3.53Å; F77-M101 HydrophobicContact CG-CE 3.74Å; F77-M101 HydrophobicContact CG-CG 3.94Å; F77-M101 HydrophobicContact CG-SD 4.36Å; F77-M101 HydrophobicContact CZ-CB 3.68Å; F77-M101 HydrophobicContact CZ-CG 3.94Å
78T98.5Very high95.2Very high0 Ų025 Ų250%014%0.144CC..EExtended strand (participates in β ladder)trans-131.5134.1172.3-179.10000112.8L25 E26 E28 T29 M52 Q80 G81L25-T78 HydrophobicContact CB-CG2 3.7Å; L25-T78 HydrophobicContact CD2-CG2 4.21Å; E26-T78 VanDerWaalsContact O-CG2 3.26Å; E26-T78 WeakPolarHBondContact O-CG2 3.48Å; E28-T78 VanDerWaalsContact CA-O 3.28Å; E28-T78 WeakPolarHBondContact CA-O 3.39Å; E28-T78 PolarHBondContact N-O 2.96Å; T29-T78 PolarHBondContact O-N 3.25Å; T29-T78 VanDerWaalsContact O-N 3.07Å; M52-T78 VanDerWaalsContact O-CB 3.25Å; M52-T78 WeakPolarHBondContact O-CB 3.32Å; M52-T78 PolarHBondContact O-OG1 3.45Å; T78-Q80 PolarHBondContact OG1-N 3.46Å; T78-G81 WeakPolarHBondContact OG1-CA 3.45Å; T78-G81 PolarHBondContact OG1-N 2.86Å; T78-G81 PolarHBondContact OG1-O 3.32Å
79W97.6Very high95.1Very high68 Ų6833.6 Ų33.626%0.25818%0.181SC..SBendtrans-80.4-24.5172.7-67.2102.5000113.2E54 F77 M101 L105E54-W79 PolarHBondContact OE1-NE1 3.21Å; F77-W79 HydrophobicContact CD1-CD2 4.41Å; F77-W79 HydrophobicContact CD1-CZ2 4.48Å; F77-W79 AromaticContact CE1-CD2 3.47Å; F77-W79 HydrophobicContact CE1-CD2 3.47Å; F77-W79 VanDerWaalsContact CE1-CD2 3.47Å; F77-W79 AromaticContact CE1-CE2 3.46Å; F77-W79 VanDerWaalsContact CE1-CE2 3.46Å; F77-W79 AromaticContact CE1-CE3 3.75Å; F77-W79 HydrophobicContact CE1-CE3 3.75Å; F77-W79 AromaticContact CE1-CG 3.87Å; F77-W79 HydrophobicContact CE1-CG 3.87Å; F77-W79 HydrophobicContact CE1-CH2 4.03Å; F77-W79 AromaticContact CE1-CZ2 3.77Å; F77-W79 HydrophobicContact CE1-CZ2 3.77Å; F77-W79 HydrophobicContact CE1-CZ3 4.02Å; F77-W79 AromaticContact CE1-NE1 3.83Å; F77-W79 HydrophobicContact CZ-CD2 4.24Å; F77-W79 HydrophobicContact CZ-CE3 4.06Å; F77-W79 HydrophobicContact CZ-CH2 4.23Å; F77-W79 HydrophobicContact CZ-CZ2 4.41Å; F77-W79 HydrophobicContact CZ-CZ3 4.05Å; W79-M101 HydrophobicContact CH2-CB 4.06Å; W79-M101 HydrophobicContact CZ2-CB 4.43Å; W79-M101 HydrophobicContact CZ2-CE 4.22Å; W79-L105 HydrophobicContact CE3-CD2 4.47Å; W79-L105 HydrophobicContact CH2-CB 3.8Å; W79-L105 HydrophobicContact CH2-CD2 3.58Å; W79-L105 HydrophobicContact CH2-CG 4.27Å; W79-L105 HydrophobicContact CZ2-CB 4.07Å; W79-L105 HydrophobicContact CZ2-CD2 3.88Å; W79-L105 HydrophobicContact CZ2-CG 4.4Å; W79-L105 HydrophobicContact CZ3-CD2 3.91Å
80Q97.3Very high95.2Very high142 Ų14235 Ų3566%0.66419%0.19SC*.SBendtrans-125.7-8.7-168.5-62.5-172.11.900114.1M52 T78M52-Q80 HydrophobicContact CE-CG 4.14Å; T78-Q80 PolarHBondContact OG1-N 3.46Å
81G97.9Very high95.4Very high16 Ų1638.3 Ų38.317%0.16520%0.201CC..  trans100.6145.3-170.600000111.9L25 T78L25-G81 WeakPolarHBondContact O-CA 3.25Å; T78-G81 WeakPolarHBondContact OG1-CA 3.45Å; T78-G81 PolarHBondContact OG1-N 2.86Å; T78-G81 PolarHBondContact OG1-O 3.32Å
82C98.4Very high95.7Very high8 Ų839.4 Ų39.45%0.05420%0.2CC..EExtended strand (participates in β ladder)trans-159.2164.6179.366.70000112.3L25 L48 T50 A53L25-C82 PolarHBondContact N-O 2.85Å; L25-C82 PolarHBondContact O-N 3.06Å; L25-C82 VanDerWaalsContact O-N 3.09Å; L48-C82 HydrophobicContact CD1-CB 3.78Å; T50-C82 VanDerWaalsContact O-CA 3.31Å; T50-C82 WeakPolarHBondContact O-CA 3.06Å; T50-C82 VanDerWaalsContact O-CB 3.25Å; T50-C82 WeakPolarHBondContact O-CB 3.32Å; A53-C82 HydrophobicContact CB-CB 4.26Å
83S98.3Very high96Very high9 Ų939.2 Ų39.26%0.06320%0.201CC..EExtended strand (participates in β ladder)trans-115.2126.7167.2-55.10000109.8R22 F23 D24 L49 T50R22-S83 PolarHBondContact NH2-OG 3.43Å; F23-S83 WeakPolarHBondContact O-CA 3.35Å; D24-S83 WeakPolarHBondContact OD1-CB 3.43Å; D24-S83 PolarHBondContact OD1-OG 2.85Å; L49-S83 WeakPolarHBondContact CB-O 3.39Å; L49-S83 PolarHBondContact N-O 3Å; T50-S83 PolarHBondContact N-O 3.21Å; T50-S83 PolarHBondContact O-N 2.89Å; T50-S83 VanDerWaalsContact O-N 3.08Å; T50-S83 VanDerWaalsContact OG1-CB 3.23Å; T50-S83 WeakPolarHBondContact OG1-CB 3.45Å; T50-S83 PolarHBondContact OG1-N 3.37Å; T50-S83 PolarHBondContact OG1-OG 2.57Å
84V97.8Very high96.1Very high0 Ų040.5 Ų40.50%020%0.204CC..EExtended strand (participates in β ladder)trans-121.2140-179.71800000109R22 F23 L31 M46 E47 L48 V76R22-V84 WeakPolarHBondContact CA-O 3.31Å; F23-V84 PolarHBondContact N-O 3.19Å; F23-V84 PolarHBondContact O-N 3.16Å; L31-V84 HydrophobicContact CD2-CB 4.47Å; L31-V84 HydrophobicContact CD2-CG1 4.25Å; M46-V84 HydrophobicContact CG-CG1 3.4Å; M46-V84 HydrophobicContact SD-CG1 4.1Å; E47-V84 CarbonylContact O-C 3.27Å; E47-V84 WeakPolarHBondContact O-CA 3.19Å; L48-V84 HydrophobicContact CD1-CG2 4.1Å; V76-V84 HydrophobicContact CG1-CG2 4.14Å
85N97.9Very high96.2Very high13 Ų1342.5 Ų42.57%0.0722%0.218CC..EExtended strand (participates in β ladder)trans-109.1135171.3-152.121.9000110.2K21 R22 M46 E47 L49 Y87K21-N85 PolarHBondContact O-OD1 2.93Å; K21-N85 VanDerWaalsContact O-OD1 3.05Å; R22-N85 WeakPolarHBondContact CA-OD1 3.5Å; R22-N85 PolarHBondContact N-OD1 3.41Å; M46-N85 CarbonylContact C-O 3.58Å; M46-N85 WeakPolarHBondContact CA-O 3.34Å; E47-N85 PolarHBondContact N-O 2.91Å; E47-N85 PolarHBondContact O-N 3.4Å; L49-N85 HydrophobicContact CD1-CB 4.07Å; L49-N85 HydrophobicContact CD2-CB 4.24Å; L49-N85 HydrophobicContact CG-CB 4.19Å; N85-Y87 HydrophobicContact CB-CE2 4Å; N85-Y87 WeakPolarHBondContact ND2-CE1 3.46Å; N85-Y87 PolarHBondContact ND2-OH 2.97Å
86L97.3Very high96.1Very high2 Ų242.8 Ų42.81%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-104135.9167.1-63.7-174000109.4S20 K21 F23 L31 F33 V44 E45 M46 P90 A93S20-L86 CarbonylContact C-O 3.57Å; S20-L86 WeakPolarHBondContact CA-O 3.32Å; K21-L86 PolarHBondContact N-O 3.4Å; K21-L86 PolarHBondContact O-N 3.36Å; F23-L86 HydrophobicContact CD2-CD1 4.36Å; F23-L86 HydrophobicContact CD2-CG 4.23Å; F23-L86 HydrophobicContact CE2-CB 4.33Å; F23-L86 HydrophobicContact CE2-CD1 3.72Å; F23-L86 HydrophobicContact CE2-CG 3.94Å; F23-L86 HydrophobicContact CZ-CD1 4.38Å; L31-L86 HydrophobicContact CD2-CD1 4.2Å; L31-L86 HydrophobicContact CD2-CD2 4.45Å; L31-L86 HydrophobicContact CD2-CG 4.26Å; F33-L86 HydrophobicContact CB-CD1 4.12Å; F33-L86 HydrophobicContact CD1-CD1 4.15Å; F33-L86 HydrophobicContact CD1-CD2 4.22Å; F33-L86 HydrophobicContact CE1-CD2 4Å; F33-L86 HydrophobicContact CG-CD1 4.02Å; F33-L86 HydrophobicContact CZ-CD2 4.18Å; V44-L86 HydrophobicContact CG1-CB 4.47Å; V44-L86 HydrophobicContact CG1-CD2 4.31Å; E45-L86 CarbonylContact O-C 3.48Å; E45-L86 WeakPolarHBondContact O-CA 3.4Å; M46-L86 HydrophobicContact CB-CD2 3.71Å; M46-L86 HydrophobicContact CG-CD2 3.74Å; L86-P90 HydrophobicContact CD1-CG 4.39Å; L86-A93 HydrophobicContact CD1-CB 4.21Å
87Y96.2Very high96Very high22 Ų2249.5 Ų49.59%0.08625%0.248CC..EExtended strand (participates in β ladder)trans-116.1133.9173.1-52.2-97.8000109.5V44 E45 E47 N85V44-Y87 WeakPolarHBondContact CA-O 3.22Å; E45-Y87 HydrophobicContact CB-CD2 4.15Å; E45-Y87 PolarHBondContact N-O 2.89Å; E45-Y87 PolarHBondContact O-N 3.31Å; E47-Y87 HydrophobicContact CB-CE2 3.9Å; E47-Y87 PolarHBondContact OE2-OH 3.37Å; E47-Y87 VanDerWaalsContact OE2-OH 3.1Å; N85-Y87 HydrophobicContact CB-CE2 4Å; N85-Y87 WeakPolarHBondContact ND2-CE1 3.46Å; N85-Y87 PolarHBondContact ND2-OH 2.97Å
88G92.1Very high95.8Very high18 Ų1855.7 Ų55.719%0.18628%0.281CS..SBendtrans96.4-177.9-170.700000112V19 P90V19-G88 PolarHBondContact O-N 2.88Å; G88-P90 WeakPolarHBondContact O-CD 3.49Å
89K89.6Confident95.6Very high187 Ų18757 Ų5781%0.81329%0.289SS*.  trans-108.399.1-174.5-171.9-178.1177.3-170.70110.2
90P92.7Very high95.5Very high30 Ų3054.3 Ų54.320%0.19528%0.281CS..  trans-67.6153.8170.629.9-34.1000110.4F33 E34 V44 L86 G88 A93F33-P90 HydrophobicContact CB-CB 4.44Å; E34-P90 WeakPolarHBondContact O-CB 3.47Å; V44-P90 HydrophobicContact CG2-CB 4.32Å; L86-P90 HydrophobicContact CD1-CG 4.39Å; G88-P90 WeakPolarHBondContact O-CD 3.49Å; P90-A93 HydrophobicContact CB-CB 4.29Å; P90-A93 HydrophobicContact CG-CB 3.76Å
91E91.6Very high95.5Very high118 Ų11848.1 Ų48.155%0.55125%0.252SS*.SBendtrans-65.7-45.3172.7-173.7-177.2165.900109.9E34 E36E34-E91 PolarHBondContact O-N 2.75Å; E36-E91 HydrophobicContact CB-CB 4.33Å
92V93.2Very high95.5Very high59 Ų5951.9 Ų51.936%0.35827%0.268SS..EExtended strand (participates in β ladder)trans-140139177.71740000108.7F33 E34 Y94F33-V92 CarbonylContact C-O 3.59Å; F33-V92 WeakPolarHBondContact CA-O 3.39Å; F33-V92 WeakPolarHBondContact CB-O 3.43Å; E34-V92 PolarHBondContact N-O 3.36Å; V92-Y94 HydrophobicContact CG1-CD1 3.56Å; V92-Y94 HydrophobicContact CG1-CE1 3.73Å
93A96.2Very high95.4Very high27 Ų2755.2 Ų55.222%0.22328%0.284CS..EExtended strand (participates in β ladder)trans-150121.1170.900000111.5F23 R32 F33 L86 P90F23-A93 HydrophobicContact CZ-CB 3.87Å; R32-A93 CarbonylContact O-C 3.59Å; R32-A93 VanDerWaalsContact O-CA 3.29Å; R32-A93 WeakPolarHBondContact O-CA 3.46Å; F33-A93 HydrophobicContact CB-CB 3.89Å; L86-A93 HydrophobicContact CD1-CB 4.21Å; P90-A93 HydrophobicContact CB-CB 4.29Å; P90-A93 HydrophobicContact CG-CB 3.76Å
94Y96.1Very high95.4Very high94 Ų9455.2 Ų55.237%0.36928%0.283SS..EExtended strand (participates in β ladder)trans-152.7155.6-179.465-85.4000112.3R32 V92R32-Y94 HydrophobicContact CB-CD1 4.5Å; R32-Y94 HydrophobicContact CB-CE1 4.06Å; R32-Y94 HydrophobicContact CB-CE2 4.22Å; R32-Y94 VanDerWaalsContact CD-OH 3.25Å; R32-Y94 WeakPolarHBondContact CD-OH 3.33Å; R32-Y94 HydrophobicContact CG-CE2 4.44Å; R32-Y94 PolarHBondContact N-O 3.25Å; R32-Y94 PolarHBondContact O-N 2.9Å; V92-Y94 HydrophobicContact CG1-CD1 3.56Å; V92-Y94 HydrophobicContact CG1-CE1 3.73Å
95V97.6Very high95.4Very high62 Ų6257.9 Ų57.938%0.37630%0.297SS..EExtended strand (participates in β ladder)trans-92.9136.3175.4179.90000109.7F23 E30 L31F23-V95 HydrophobicContact CD1-CG2 4.15Å; E30-V95 CarbonylContact O-C 3.55Å; E30-V95 WeakPolarHBondContact O-CA 3.26Å; L31-V95 HydrophobicContact CD1-CG2 4.32Å
96S96.4Very high95.4Very high19 Ų1961.5 Ų61.513%0.13332%0.317CS..EExtended strand (participates in β ladder)trans-122.3135.2176.6-166.80000111T29 E30 R32T29-S96 WeakPolarHBondContact CA-O 3.42Å; T29-S96 WeakPolarHBondContact CB-O 2.87Å; E30-S96 PolarHBondContact N-O 2.9Å; E30-S96 PolarHBondContact O-N 3.48Å; R32-S96 PolarHBondContact NH1-OG 3.44Å; R32-S96 PolarHBondContact NH2-OG 3.45Å
97K95.1Very high95.4Very high141 Ų14162.3 Ų62.361%0.61332%0.321SS*.  trans-95-20.9172.3-49.7-161.2-177-163.20112.6E26 T29 T99E26-K97 IonicContact OE2-NZ 2.74Å; E26-K97 PolarHBondContact OE2-NZ 2.9Å; T29-K97 HydrophobicContact CG2-CB 4.26Å; T29-K97 HydrophobicContact CG2-CD 4.31Å; T29-K97 HydrophobicContact CG2-CG 3.79Å; K97-T99 PolarHBondContact O-N 3.4Å
98D93.2Very high95.6Very high134 Ų13462 Ų6272%0.71732%0.321SS*.  trans-88.699.4-178.8-174.122.9000109.8R32R32-D98 PolarHBondContact NH2-O 2.96Å
99T95.1Very high95.9Very high27 Ų2763.1 Ų63.117%0.16633%0.329CS..  trans-136.9141.8-177.6820000111.1E30 F77 K97 M101E30-T99 HydrophobicContact CB-CG2 4.5Å; E30-T99 VanDerWaalsContact CD-CG2 3.5Å; E30-T99 HydrophobicContact CG-CG2 3.61Å; F77-T99 HydrophobicContact CD2-CG2 4.44Å; F77-T99 HydrophobicContact CE2-CG2 4.37Å; K97-T99 PolarHBondContact O-N 3.4Å; T99-M101 PolarHBondContact O-N 3.22Å; T99-M101 WeakPolarHBondContact OG1-CB 3.44Å; T99-M101 WeakPolarHBondContact OG1-CG 3.4Å
100P96.4Very high96.3Very high13 Ų1356.3 Ų56.38%0.08431%0.307CS..SBendtrans-80.815172.832.2-35.4000113.5L102 L103 Y104 P291P100-L102 VanDerWaalsContact C-N 3.31Å; P100-L102 PolarHBondContact O-N 2.79Å; P100-L103 HydrophobicContact CB-CD1 4.47Å; P100-L103 WeakPolarHBondContact O-CB 3.39Å; P100-L103 PolarHBondContact O-N 3.14Å; P100-Y104 HydrophobicContact CB-CE1 4.19Å; P100-Y104 HydrophobicContact CB-CE2 4.07Å; P100-Y104 HydrophobicContact CG-CD2 4.43Å; P100-Y104 HydrophobicContact CG-CE1 4.33Å; P100-Y104 HydrophobicContact CG-CE2 3.53Å; P100-Y104 VanDerWaalsContact CG-CZ 3.45Å; P100-Y104 VanDerWaalsContact CG-OH 3.25Å; P100-Y104 WeakPolarHBondContact CG-OH 3.12Å; P100-Y104 PolarHBondContact O-N 2.99Å; P100-Y104 VanDerWaalsContact O-N 3.14Å; P100-P291 HydrophobicContact CB-CG 4.01Å
101M96.9Very high96.6Very high11 Ų1155 Ų555%0.05430%0.299CS..Hα-helixtrans-59.1-38.6-171.6-71-67.5-62.800113.1F77 W79 T99 L103 Y104 L105 M144 Y148F77-M101 HydrophobicContact CB-CE 4.1Å; F77-M101 HydrophobicContact CD1-CE 3.6Å; F77-M101 HydrophobicContact CD1-CG 4.34Å; F77-M101 HydrophobicContact CD2-CB 4.21Å; F77-M101 HydrophobicContact CD2-CE 4.33Å; F77-M101 HydrophobicContact CD2-CG 3.52Å; F77-M101 HydrophobicContact CD2-SD 4.46Å; F77-M101 HydrophobicContact CE1-CB 4.19Å; F77-M101 HydrophobicContact CE1-CE 4.07Å; F77-M101 HydrophobicContact CE1-CG 4.34Å; F77-M101 HydrophobicContact CE2-CB 3.71Å; F77-M101 HydrophobicContact CE2-CG 3.53Å; F77-M101 HydrophobicContact CG-CE 3.74Å; F77-M101 HydrophobicContact CG-CG 3.94Å; F77-M101 HydrophobicContact CG-SD 4.36Å; F77-M101 HydrophobicContact CZ-CB 3.68Å; F77-M101 HydrophobicContact CZ-CG 3.94Å; W79-M101 HydrophobicContact CH2-CB 4.06Å; W79-M101 HydrophobicContact CZ2-CB 4.43Å; W79-M101 HydrophobicContact CZ2-CE 4.22Å; T99-M101 PolarHBondContact O-N 3.22Å; T99-M101 WeakPolarHBondContact OG1-CB 3.44Å; T99-M101 WeakPolarHBondContact OG1-CG 3.4Å; M101-L103 VanDerWaalsContact C-N 3.3Å; M101-L103 PolarHBondContact O-N 2.81Å; M101-Y104 PolarHBondContact O-N 2.85Å; M101-Y104 HydrophobicContact SD-CD2 4.17Å; M101-L105 PolarHBondContact O-N 3.26Å; M101-M144 HydrophobicContact CE-CE 3.34Å; M101-M144 HydrophobicContact CE-SD 4.46Å; M101-M144 HydrophobicContact SD-CE 3.38Å; M101-M144 WeakPolarHBondContact SD-CE 3.29Å; M101-M144 HydrophobicContact SD-SD 3.99Å; M101-Y148 VanDerWaalsContact CE-OH 3.31Å; M101-Y148 WeakPolarHBondContact CE-OH 3.32Å
102L96.6Very high96.9Very high96 Ų9650.2 Ų50.250%0.50328%0.276SS..Hα-helixtrans-63.2-36.5176.4-172.665.3000112.1P100 L105 N106P100-L102 VanDerWaalsContact C-N 3.31Å; P100-L102 PolarHBondContact O-N 2.79Å; L102-L105 PolarHBondContact O-N 3.23Å; L102-N106 WeakPolarHBondContact O-CB 3.49Å; L102-N106 PolarHBondContact O-N 3.32Å; L102-N106 PolarHBondContact O-ND2 2.85Å
103L97.7Very high97.2Very high77 Ų7754 Ų5440%0.40329%0.29SS..Hα-helixtrans-68.1-39.2176.3-61.7174.9000111.3P100 M101 N106 T107 L290 P291P100-L103 HydrophobicContact CB-CD1 4.47Å; P100-L103 WeakPolarHBondContact O-CB 3.39Å; P100-L103 PolarHBondContact O-N 3.14Å; M101-L103 VanDerWaalsContact C-N 3.3Å; M101-L103 PolarHBondContact O-N 2.81Å; L103-N106 PolarHBondContact O-N 3.06Å; L103-T107 WeakPolarHBondContact O-CB 3.42Å; L103-T107 PolarHBondContact O-N 2.93Å; L103-T107 PolarHBondContact O-OG1 3.34Å; L103-L290 HydrophobicContact CB-CD2 4.23Å; L103-P291 HydrophobicContact CD1-CG 3.62Å
104Y97.5Very high97.3Very high10 Ų1054.5 Ų54.54%0.03929%0.288CS..Hα-helixtrans-66.9-40.3175.3-56.5-28.6000112P100 M101 T107 H108 V141 M144 L290 P291P100-Y104 HydrophobicContact CB-CE1 4.19Å; P100-Y104 HydrophobicContact CB-CE2 4.07Å; P100-Y104 HydrophobicContact CG-CD2 4.43Å; P100-Y104 HydrophobicContact CG-CE1 4.33Å; P100-Y104 HydrophobicContact CG-CE2 3.53Å; P100-Y104 VanDerWaalsContact CG-CZ 3.45Å; P100-Y104 VanDerWaalsContact CG-OH 3.25Å; P100-Y104 WeakPolarHBondContact CG-OH 3.12Å; P100-Y104 PolarHBondContact O-N 2.99Å; P100-Y104 VanDerWaalsContact O-N 3.14Å; M101-Y104 PolarHBondContact O-N 2.85Å; M101-Y104 HydrophobicContact SD-CD2 4.17Å; Y104-T107 WeakPolarHBondContact O-CB 3.25Å; Y104-T107 PolarHBondContact O-N 2.85Å; Y104-H108 PolarHBondContact O-N 2.71Å; Y104-V141 HydrophobicContact CD1-CG2 4.3Å; Y104-V141 HydrophobicContact CE1-CG2 3.72Å; Y104-V141 HydrophobicContact CE2-CG2 4.14Å; Y104-M144 HydrophobicContact CD2-CE 3.7Å; Y104-M144 HydrophobicContact CD2-SD 3.87Å; Y104-M144 HydrophobicContact CE2-SD 4.33Å; Y104-M144 HydrophobicContact CG-CE 4.28Å; Y104-L290 HydrophobicContact CD1-CD1 4.31Å; Y104-L290 HydrophobicContact CE1-CD1 4.33Å; Y104-P291 PolarHBondContact OH-O 2.97Å
105L97.6Very high97.4Very high56 Ų5650.1 Ų50.129%0.29327%0.271SS..Hα-helixtrans-63.9-45.6174.4-178.363.1000111.6W79 M101 L102 T107 H108 A109W79-L105 HydrophobicContact CE3-CD2 4.47Å; W79-L105 HydrophobicContact CH2-CB 3.8Å; W79-L105 HydrophobicContact CH2-CD2 3.58Å; W79-L105 HydrophobicContact CH2-CG 4.27Å; W79-L105 HydrophobicContact CZ2-CB 4.07Å; W79-L105 HydrophobicContact CZ2-CD2 3.88Å; W79-L105 HydrophobicContact CZ2-CG 4.4Å; W79-L105 HydrophobicContact CZ3-CD2 3.91Å; M101-L105 PolarHBondContact O-N 3.26Å; L102-L105 PolarHBondContact O-N 3.23Å; L105-T107 VanDerWaalsContact C-N 3.29Å; L105-T107 PolarHBondContact O-N 3.48Å; L105-H108 WeakPolarHBondContact O-CB 3.4Å; L105-H108 PolarHBondContact O-N 3.42Å; L105-A109 WeakPolarHBondContact O-CB 3.31Å; L105-A109 PolarHBondContact O-N 2.87Å
106N98.3Very high97.4Very high89 Ų8952.1 Ų52.148%0.47627%0.274SS..Hα-helixtrans-61.5-39.8176-73.2-17.7000111.7L102 L103 A109 A110L102-N106 WeakPolarHBondContact O-CB 3.49Å; L102-N106 PolarHBondContact O-N 3.32Å; L102-N106 PolarHBondContact O-ND2 2.85Å; L103-N106 PolarHBondContact O-N 3.06Å; N106-A109 PolarHBondContact O-N 3.27Å; N106-A110 WeakPolarHBondContact O-CB 3.46Å; N106-A110 PolarHBondContact O-N 3.04Å
107T98.5Very high97.5Very high18 Ų1855 Ų5511%0.1129%0.286CS..Hα-helixtrans-60.1-49.3173.8-59.60000110.4L103 Y104 L105 A109 A110 L111 L145 L266L103-T107 WeakPolarHBondContact O-CB 3.42Å; L103-T107 PolarHBondContact O-N 2.93Å; L103-T107 PolarHBondContact O-OG1 3.34Å; Y104-T107 WeakPolarHBondContact O-CB 3.25Å; Y104-T107 PolarHBondContact O-N 2.85Å; L105-T107 VanDerWaalsContact C-N 3.29Å; L105-T107 PolarHBondContact O-N 3.48Å; T107-A109 PolarHBondContact O-N 3.4Å; T107-A110 PolarHBondContact O-N 3.08Å; T107-L111 HydrophobicContact CG2-CD1 4.28Å; T107-L111 VanDerWaalsContact O-CG 3.29Å; T107-L111 WeakPolarHBondContact O-CG 3.38Å; T107-L111 PolarHBondContact O-N 3.25Å; T107-L145 HydrophobicContact CG2-CD1 4.37Å; T107-L145 HydrophobicContact CG2-CD2 4.15Å; T107-L266 HydrophobicContact CG2-CD1 3.78Å; T107-L266 HydrophobicContact CG2-CD2 3.96Å
108H98.5Very high97.6Very high15 Ų1548.5 Ų48.57%0.06926%0.258CS..Hα-helixtrans-58.1-45.4175.4167.174000112.3Y104 L105 A110 L111 E112 L145 Y148 A149Y104-H108 PolarHBondContact O-N 2.71Å; L105-H108 WeakPolarHBondContact O-CB 3.4Å; L105-H108 PolarHBondContact O-N 3.42Å; H108-A110 VanDerWaalsContact C-N 3.34Å; H108-A110 PolarHBondContact O-N 3.49Å; H108-L111 PolarHBondContact O-N 2.92Å; H108-E112 PolarHBondContact O-N 3.38Å; H108-L145 HydrophobicContact CB-CD2 3.91Å; H108-Y148 HydrophobicContact CB-CD2 3.96Å; H108-Y148 PolarHBondContact CE1-O 3.49Å; H108-Y148 WeakPolarHBondContact ND1-CB 3.48Å; H108-A149 PolarHBondContact CE1-N 3.42Å
109A98.6Very high97.8Very high43 Ų4347 Ų4736%0.35525%0.247SC..Hα-helixtrans-60.7-42.2179.500000112L105 N106 T107 E112 Q113L105-A109 WeakPolarHBondContact O-CB 3.31Å; L105-A109 PolarHBondContact O-N 2.87Å; N106-A109 PolarHBondContact O-N 3.27Å; T107-A109 PolarHBondContact O-N 3.4Å; A109-E112 PolarHBondContact O-N 2.91Å; A109-Q113 WeakPolarHBondContact O-CG 3.41Å; A109-Q113 PolarHBondContact O-N 2.91Å
110A98.6Very high97.9Very high43 Ų4355.3 Ų55.336%0.35528%0.275SS..Hα-helixtrans-64.3-42.617500000112.1N106 T107 H108 E112 Q113 M114N106-A110 WeakPolarHBondContact O-CB 3.46Å; N106-A110 PolarHBondContact O-N 3.04Å; T107-A110 PolarHBondContact O-N 3.08Å; H108-A110 VanDerWaalsContact C-N 3.34Å; H108-A110 PolarHBondContact O-N 3.49Å; A110-E112 VanDerWaalsContact C-N 3.31Å; A110-E112 PolarHBondContact O-N 3.3Å; A110-Q113 WeakPolarHBondContact O-CB 3.38Å; A110-Q113 PolarHBondContact O-N 3.04Å; A110-M114 WeakPolarHBondContact O-CG 3.25Å; A110-M114 PolarHBondContact O-N 2.98Å; A110-M114 VanDerWaalsContact O-N 3.09Å
111L98.7Very high97.9Very high4 Ų459.7 Ų59.72%0.02129%0.294CS..Hα-helixtrans-63.1-38.7175-66.1175.9000111.7T107 H108 M114 R115 P126 V128 V264T107-L111 HydrophobicContact CG2-CD1 4.28Å; T107-L111 VanDerWaalsContact O-CG 3.29Å; T107-L111 WeakPolarHBondContact O-CG 3.38Å; T107-L111 PolarHBondContact O-N 3.25Å; H108-L111 PolarHBondContact O-N 2.92Å; L111-M114 HydrophobicContact CD2-SD 4.18Å; L111-M114 WeakPolarHBondContact O-CB 3.28Å; L111-M114 PolarHBondContact O-N 2.89Å; L111-R115 WeakPolarHBondContact O-CG 3.2Å; L111-R115 PolarHBondContact O-N 3.08Å; L111-P126 HydrophobicContact CB-CG 4.44Å; L111-P126 HydrophobicContact CD2-CB 4.08Å; L111-P126 HydrophobicContact CD2-CG 4.19Å; L111-V128 HydrophobicContact CD1-CG2 3.89Å; L111-V128 HydrophobicContact CD2-CG2 3.42Å; L111-V128 VanDerWaalsContact CD2-CG2 3.42Å; L111-V128 HydrophobicContact CG-CG2 4.3Å; L111-V264 HydrophobicContact CD2-CG2 4.08Å
112E98.8Very high97.7Very high16 Ų1665 Ų658%0.07532%0.323CS..Hα-helixtrans-67.1-35.1175.9178.552.8-154.300112.5H108 A109 A110 M114 R115 K116 R154H108-E112 PolarHBondContact O-N 3.38Å; A109-E112 PolarHBondContact O-N 2.91Å; A110-E112 VanDerWaalsContact C-N 3.31Å; A110-E112 PolarHBondContact O-N 3.3Å; E112-M114 VanDerWaalsContact C-N 3.33Å; E112-R115 PolarHBondContact O-N 2.87Å; E112-R115 IonicContact OE2-NH1 3.84Å; E112-K116 HydrophobicContact CG-CD 4.48Å; E112-K116 WeakPolarHBondContact O-CG 3.38Å; E112-K116 PolarHBondContact O-N 2.79Å; E112-K116 WeakPolarHBondContact OE1-CE 3.39Å; E112-K116 WeakPolarHBondContact OE1-CG 3.29Å; E112-R154 IonicContact OE1-CZ 3.2Å; E112-R154 IonicContact OE1-NE 3.69Å; E112-R154 PolarHBondContact OE1-NE 3.32Å; E112-R154 VanDerWaalsContact OE1-NE 3.14Å; E112-R154 IonicContact OE1-NH2 3.51Å; E112-R154 PolarHBondContact OE1-NH2 3.05Å; E112-R154 WeakPolarHBondContact OE2-CG 3.31Å; E112-R154 IonicContact OE2-CZ 3.49Å; E112-R154 IonicContact OE2-NE 3.14Å; E112-R154 PolarHBondContact OE2-NE 2.8Å; E112-R154 IonicContact OE2-NH2 2.8Å
113Q98.5Very high97.7Very high138 Ų13865.5 Ų65.565%0.64532%0.323SS*.Hα-helixtrans-61.2-42.8170.3-71.3174.3-4.500111.5A109 A110 R115 K116 Q117A109-Q113 WeakPolarHBondContact O-CG 3.41Å; A109-Q113 PolarHBondContact O-N 2.91Å; A110-Q113 WeakPolarHBondContact O-CB 3.38Å; A110-Q113 PolarHBondContact O-N 3.04Å; Q113-R115 VanDerWaalsContact C-N 3.33Å; Q113-R115 PolarHBondContact O-N 2.96Å; Q113-K116 PolarHBondContact O-N 2.92Å; Q113-Q117 WeakPolarHBondContact O-CB 3.38Å; Q113-Q117 PolarHBondContact O-N 3.43Å
114M98.5Very high97.7Very high39 Ų3965.8 Ų65.819%0.19232%0.319CS..Hα-helixtrans-60.9-41.2174.2-64.4173.873.100111.6A110 L111 E112 Q117 A118 P126 D263 V264A110-M114 WeakPolarHBondContact O-CG 3.25Å; A110-M114 PolarHBondContact O-N 2.98Å; A110-M114 VanDerWaalsContact O-N 3.09Å; L111-M114 HydrophobicContact CD2-SD 4.18Å; L111-M114 WeakPolarHBondContact O-CB 3.28Å; L111-M114 PolarHBondContact O-N 2.89Å; E112-M114 VanDerWaalsContact C-N 3.33Å; M114-Q117 PolarHBondContact O-N 3.25Å; M114-A118 WeakPolarHBondContact O-CB 3.26Å; M114-A118 PolarHBondContact O-N 3.28Å; M114-P126 HydrophobicContact CB-CB 4.22Å; M114-P126 HydrophobicContact CB-CG 4.13Å; M114-P126 HydrophobicContact CE-CB 3.79Å; M114-P126 HydrophobicContact SD-CB 4.08Å; M114-D263 HydrophobicContact CE-CB 3.89Å; M114-V264 HydrophobicContact CE-CG2 4Å; M114-V264 HydrophobicContact SD-CG2 3.93Å
115R98.5Very high97.7Very high2 Ų265.4 Ų65.41%0.00832%0.318CS..Hα-helixtrans-63.6-45.2175.4-67.6-172.6-168.7102.24.6112.6L111 E112 Q113 Q117 A118 E119 P126 V234 G235L111-R115 WeakPolarHBondContact O-CG 3.2Å; L111-R115 PolarHBondContact O-N 3.08Å; E112-R115 PolarHBondContact O-N 2.87Å; E112-R115 IonicContact OE2-NH1 3.84Å; Q113-R115 VanDerWaalsContact C-N 3.33Å; Q113-R115 PolarHBondContact O-N 2.96Å; R115-Q117 VanDerWaalsContact C-N 3.28Å; R115-Q117 PolarHBondContact O-N 3.38Å; R115-A118 PolarHBondContact O-N 3.23Å; R115-E119 WeakPolarHBondContact O-CB 3.42Å; R115-E119 PolarHBondContact O-N 3.41Å; R115-P126 VanDerWaalsContact CG-CD 3.45Å; R115-P126 HydrophobicContact CG-CG 3.97Å; R115-V234 HydrophobicContact CB-CG1 4.41Å; R115-V234 VanDerWaalsContact CG-O 3.31Å; R115-V234 WeakPolarHBondContact CG-O 3.09Å; R115-G235 PolarHBondContact NE-O 2.7Å
116K98.4Very high97.7Very high104 Ų10462.8 Ų62.845%0.45230%0.304SS..Hα-helixtrans-60.9-38.9176.6-74.5176.4178.2176.20111.8E112 Q113 R120E112-K116 HydrophobicContact CG-CD 4.48Å; E112-K116 WeakPolarHBondContact O-CG 3.38Å; E112-K116 PolarHBondContact O-N 2.79Å; E112-K116 WeakPolarHBondContact OE1-CE 3.39Å; E112-K116 WeakPolarHBondContact OE1-CG 3.29Å; Q113-K116 PolarHBondContact O-N 2.92Å; K116-R120 VanDerWaalsContact O-CG 3.28Å; K116-R120 WeakPolarHBondContact O-CG 3.36Å; K116-R120 PolarHBondContact O-N 2.89Å; K116-R120 VanDerWaalsContact O-N 3.16Å
117Q97.9Very high97.8Very high79 Ų7959.1 Ų59.137%0.36928%0.284SS..Hα-helixtrans-65.8-51.4175.9-171.965.310.400111.1Q113 M114 R115 E119 R120 E121Q113-Q117 WeakPolarHBondContact O-CB 3.38Å; Q113-Q117 PolarHBondContact O-N 3.43Å; M114-Q117 PolarHBondContact O-N 3.25Å; R115-Q117 VanDerWaalsContact C-N 3.28Å; R115-Q117 PolarHBondContact O-N 3.38Å; Q117-E119 PolarHBondContact O-N 3.42Å; Q117-R120 WeakPolarHBondContact O-CB 3.47Å; Q117-R120 PolarHBondContact O-N 2.88Å; Q117-E121 WeakPolarHBondContact CG-OE2 3.47Å; Q117-E121 PolarHBondContact NE2-OE1 3.42Å; Q117-E121 PolarHBondContact NE2-OE2 3.22Å; Q117-E121 PolarHBondContact O-N 3.24Å
118A97.1Very high97.8Very high4 Ų458.3 Ų58.33%0.03328%0.279CS..Hα-helixtrans-57.2-36.8176.700000112.8M114 R115 N122 E123 R124 R230M114-A118 WeakPolarHBondContact O-CB 3.26Å; M114-A118 PolarHBondContact O-N 3.28Å; R115-A118 PolarHBondContact O-N 3.23Å; A118-N122 CarbonylContact O-C 3.57Å; A118-N122 PolarHBondContact O-N 2.73Å; A118-N122 VanDerWaalsContact O-N 3.12Å; A118-E123 HydrophobicContact CB-CB 4.31Å; A118-E123 PolarHBondContact O-N 3.44Å; A118-R124 WeakPolarHBondContact CB-O 3.5Å; A118-R230 PolarHBondContact O-NH2 3.3Å
119E96.3Very high97.8Very high104 Ų10457.6 Ų57.649%0.48628%0.275SS..Hα-helixtrans-63.5-44.4175.1-170.4160.5-137.500112.1R115 Q117 R154 V234R115-E119 WeakPolarHBondContact O-CB 3.42Å; R115-E119 PolarHBondContact O-N 3.41Å; Q117-E119 PolarHBondContact O-N 3.42Å; E119-R154 IonicContact OE1-NH1 3.65Å; E119-R154 IonicContact OE2-CZ 3.25Å; E119-R154 IonicContact OE2-NH1 3.46Å; E119-R154 PolarHBondContact OE2-NH1 3.12Å; E119-R154 IonicContact OE2-NH2 2.73Å; E119-R154 PolarHBondContact OE2-NH2 3.1Å; E119-V234 HydrophobicContact CB-CG1 4.02Å
120R97.3Very high97.8Very high201 Ų20155.5 Ų55.576%0.75826%0.258SS*.Hα-helixtrans-69.3-40.3179-71.6170-179.1-175.2-1.8113.1K116 Q117 N122K116-R120 VanDerWaalsContact O-CG 3.28Å; K116-R120 WeakPolarHBondContact O-CG 3.36Å; K116-R120 PolarHBondContact O-N 2.89Å; K116-R120 VanDerWaalsContact O-N 3.16Å; Q117-R120 WeakPolarHBondContact O-CB 3.47Å; Q117-R120 PolarHBondContact O-N 2.88Å; R120-N122 VanDerWaalsContact C-N 3.31Å
121E97.2Very high97.8Very high104 Ų10453.5 Ų53.549%0.48624%0.241SC..THydrogen-bonded Turntrans-90.64.2-175.5-66.7-177.4150.200113.2Q117 E123Q117-E121 WeakPolarHBondContact CG-OE2 3.47Å; Q117-E121 PolarHBondContact NE2-OE1 3.42Å; Q117-E121 PolarHBondContact NE2-OE2 3.22Å; Q117-E121 PolarHBondContact O-N 3.24Å; E121-E123 HydrophobicContact CB-CG 3.97Å; E121-E123 PolarHBondContact O-N 3.06Å
122N93.7Very high97.8Very high122 Ų12253.3 Ų53.365%0.65224%0.24SC*.THydrogen-bonded Turntrans59.229-175-159.235.8000114.4A118 R120 R230A118-N122 CarbonylContact O-C 3.57Å; A118-N122 PolarHBondContact O-N 2.73Å; A118-N122 VanDerWaalsContact O-N 3.12Å; R120-N122 VanDerWaalsContact C-N 3.31Å; N122-R230 VanDerWaalsContact CA-NH2 3.3Å; N122-R230 PolarHBondContact O-NH1 3.47Å; N122-R230 PolarHBondContact OD1-NE 2.76Å; N122-R230 PolarHBondContact OD1-NH1 2.57Å
123E96.1Very high97.7Very high107 Ų10754 Ų5450%0.525%0.246SC..  trans-96.7178.2177.6-58-168.8161.300112.2A118 E121 R230A118-E123 HydrophobicContact CB-CB 4.31Å; A118-E123 PolarHBondContact O-N 3.44Å; E121-E123 HydrophobicContact CB-CG 3.97Å; E121-E123 PolarHBondContact O-N 3.06Å; E123-R230 PolarHBondContact O-NH1 2.89Å; E123-R230 PolarHBondContact O-NH2 2.87Å
124R96.5Very high97.6Very high83 Ų8351.1 Ų51.131%0.31324%0.238SC..PPolyproline II helixtrans-80.9151.1173.575.5-169.5-168.1-50.3-8.8111.1A118 D263A118-R124 WeakPolarHBondContact CB-O 3.5Å; R124-D263 IonicContact CZ-OD1 3.84Å; R124-D263 IonicContact NH2-OD1 3.86Å; R124-D263 PolarHBondContact NH2-OD1 3.28Å; R124-D263 IonicContact NH2-OD2 3.34Å
125G98Very high97.4Very high2 Ų251 Ų512%0.02124%0.238CC..PPolyproline II helixtrans-72.5172.6173.200000113.4S233 V234G125-S233 WeakPolarHBondContact CA-O 3.25Å; G125-S233 PolarHBondContact N-O 2.87Å; G125-V234 WeakPolarHBondContact CA-O 3.48Å
126P98.4Very high97.3Very high2 Ų251 Ų511%0.01324%0.239CC..PPolyproline II helixtrans-68.1135.6-174.829.6-34000111.9L111 M114 R115 V128 G236 C237 D263L111-P126 HydrophobicContact CB-CG 4.44Å; L111-P126 HydrophobicContact CD2-CB 4.08Å; L111-P126 HydrophobicContact CD2-CG 4.19Å; M114-P126 HydrophobicContact CB-CB 4.22Å; M114-P126 HydrophobicContact CB-CG 4.13Å; M114-P126 HydrophobicContact CE-CB 3.79Å; M114-P126 HydrophobicContact SD-CB 4.08Å; R115-P126 VanDerWaalsContact CG-CD 3.45Å; R115-P126 HydrophobicContact CG-CG 3.97Å; P126-V128 HydrophobicContact CB-CG2 4.24Å; P126-G236 VanDerWaalsContact O-CA 3.32Å; P126-G236 WeakPolarHBondContact O-CA 3.38Å; P126-C237 PolarHBondContact O-N 2.82Å; P126-D263 WeakPolarHBondContact CA-OD2 3.49Å
127R98.8Very high97.2Very high12 Ų1246.7 Ų46.75%0.04522%0.224CC..EExtended strand (participates in β ladder)trans-102113.9169.2-60.4-178.1179.6-169.6-8.6108.6F222 S223 F260 V262 D263 V264R127-F222 HydrophobicContact CG-CE1 4.34Å; R127-S223 PolarHBondContact NH2-OG 2.73Å; R127-S223 VanDerWaalsContact NH2-OG 3.08Å; R127-F260 WeakPolarHBondContact CD-O 3.23Å; R127-F260 PolarHBondContact NH1-O 2.92Å; R127-V262 WeakPolarHBondContact O-CA 3.35Å; R127-D263 PolarHBondContact N-OD2 2.95Å; R127-D263 PolarHBondContact O-N 3.36Å; R127-V264 PolarHBondContact O-N 3.3Å
128V98.9Very high97.2Very high0 Ų043.6 Ų43.60%021%0.209CC..EExtended strand (participates in β ladder)trans-113.8125.9-168.2-173.40000110.1L111 P126 C237 I238 I239 V264 L266L111-V128 HydrophobicContact CD1-CG2 3.89Å; L111-V128 HydrophobicContact CD2-CG2 3.42Å; L111-V128 VanDerWaalsContact CD2-CG2 3.42Å; L111-V128 HydrophobicContact CG-CG2 4.3Å; P126-V128 HydrophobicContact CB-CG2 4.24Å; V128-C237 PolarHBondContact N-O 3.48Å; V128-I238 HydrophobicContact CB-CG1 4.29Å; V128-I238 CarbonylContact O-C 3.58Å; V128-I238 WeakPolarHBondContact O-CA 3.36Å; V128-I239 PolarHBondContact O-N 3.3Å; V128-V264 CarbonylContact C-O 3.54Å; V128-V264 WeakPolarHBondContact CA-O 3.4Å; V128-V264 HydrophobicContact CG1-CB 4.26Å; V128-V264 HydrophobicContact CG1-CG1 4.34Å; V128-V264 HydrophobicContact CG2-CB 4.31Å; V128-L266 HydrophobicContact CG1-CD1 3.89Å; V128-L266 HydrophobicContact CG1-CG 3.9Å
129M98.8Very high97.2Very high0 Ų046.3 Ų46.30%023%0.228CC..EExtended strand (participates in β ladder)trans-106.7129.5175.6-170177.861.500111.1V131 I239 T241 C256 A257 V262 V264 V265 L266M129-V131 HydrophobicContact CE-CG1 3.67Å; M129-V131 HydrophobicContact CG-CG1 3.76Å; M129-V131 HydrophobicContact SD-CG1 3.98Å; M129-I239 HydrophobicContact CB-CB 4.46Å; M129-I239 HydrophobicContact CB-CD1 4.47Å; M129-I239 HydrophobicContact CG-CB 4.35Å; M129-I239 HydrophobicContact CG-CG2 4.42Å; M129-T241 HydrophobicContact CG-CG2 3.91Å; M129-T241 HydrophobicContact SD-CG2 4.31Å; M129-C256 HydrophobicContact SD-CB 4.08Å; M129-A257 HydrophobicContact CE-CB 3.85Å; M129-A257 HydrophobicContact SD-CB 4.38Å; M129-V262 HydrophobicContact CB-CG1 4.1Å; M129-V264 PolarHBondContact N-O 2.89Å; M129-V265 HydrophobicContact CB-CG2 4.38Å; M129-V265 HydrophobicContact CE-CB 4.49Å; M129-V265 HydrophobicContact CE-CG1 3.84Å; M129-V265 HydrophobicContact CE-CG2 3.79Å; M129-V265 CarbonylContact O-C 3.46Å; M129-V265 WeakPolarHBondContact O-CA 3.49Å; M129-L266 PolarHBondContact O-N 2.91Å
130V98.9Very high97.2Very high0 Ų043.6 Ų43.60%022%0.219CC..EExtended strand (participates in β ladder)trans-107.5116.9178.2-173.60000109.3K138 I238 I239 T241 L266 L268V130-K138 HydrophobicContact CG1-CB 4.09Å; V130-K138 HydrophobicContact CG1-CG 4.14Å; V130-I238 HydrophobicContact CG2-CG2 4.16Å; V130-I239 PolarHBondContact N-O 2.68Å; V130-T241 PolarHBondContact O-OG1 2.76Å; V130-T241 VanDerWaalsContact O-OG1 3.08Å; V130-L266 WeakPolarHBondContact CA-O 3.47Å; V130-L266 HydrophobicContact CG2-CB 4.39Å; V130-L266 HydrophobicContact CG2-CD1 4.23Å; V130-L268 HydrophobicContact CG1-CD1 4.1Å; V130-L268 HydrophobicContact CG1-CG 4.17Å
131V98.8Very high97.2Very high0 Ų034.1 Ų34.10%018%0.183CC..EExtended strand (participates in β ladder)trans-128.1159.1-173.1-56.50000111.9M129 T241 L253 V265 L266 V267 L268 L273 L277M129-V131 HydrophobicContact CE-CG1 3.67Å; M129-V131 HydrophobicContact CG-CG1 3.76Å; M129-V131 HydrophobicContact SD-CG1 3.98Å; V131-T241 HydrophobicContact CG1-CG2 4.12Å; V131-L253 HydrophobicContact CB-CD1 4.32Å; V131-L253 HydrophobicContact CG1-CD1 4.28Å; V131-L253 HydrophobicContact CG1-CD2 3.86Å; V131-V265 HydrophobicContact CG1-CG1 4.34Å; V131-V265 HydrophobicContact CG2-CG1 3.76Å; V131-L266 PolarHBondContact N-O 3.14Å; V131-V267 HydrophobicContact CG2-CB 4.19Å; V131-V267 HydrophobicContact CG2-CG1 4.32Å; V131-V267 HydrophobicContact CG2-CG2 3.72Å; V131-V267 WeakPolarHBondContact O-CA 3.45Å; V131-L268 PolarHBondContact O-N 2.78Å; V131-L273 HydrophobicContact CB-CD2 4.23Å; V131-L273 HydrophobicContact CG2-CD2 3.92Å; V131-L277 HydrophobicContact CG2-CD1 3.72Å
132G98.1Very high97.3Very high0 Ų029.3 Ų29.30%016%0.161CC..  trans149.1165.2-178.100000111.3K138 V245G132-K138 WeakPolarHBondContact O-CE 3.5Å; G132-K138 PolarHBondContact O-NZ 3.49Å; G132-V245 VanDerWaalsContact C-CG1 3.48Å; G132-V245 WeakPolarHBondContact O-CG1 3.33Å
133P97.4Very high97.5Very high30 Ų3025.8 Ų25.820%0.19514%0.138CC..SBendtrans-64.5179.4-179.429.8-35.9000111.9V136 K138 H270P133-V136 HydrophobicContact CG-CG1 3.68Å; P133-V136 WeakPolarHBondContact O-CG2 3.13Å; P133-K138 PolarHBondContact O-NZ 3.26Å; P133-H270 HydrophobicContact CG-CB 4.46Å
134T95.6Very high97.5Very high78 Ų7820.9 Ų20.948%0.47912%0.115SC..THydrogen-bonded Turntrans-59.7149.6171.446.80000111.2V136T134-V136 PolarHBondContact O-N 3.36Å
135D94.8Very high97.6Very high36 Ų3617 Ų1719%0.19310%0.101CC..THydrogen-bonded Turntrans61.442.3170.3-51.5-25.3000115.3V296 E298 R299 R304D135-V296 VanDerWaalsContact C-CG1 3.48Å; D135-V296 WeakPolarHBondContact O-CG1 3.47Å; D135-E298 HydrophobicContact CB-CG 4.47Å; D135-R299 PolarHBondContact OD2-N 2.96Å; D135-R304 IonicContact OD1-CZ 3.67Å; D135-R304 IonicContact OD1-NH2 3.6Å; D135-R304 PolarHBondContact OD1-NH2 3.06Å; D135-R304 IonicContact OD2-CZ 2.79Å; D135-R304 IonicContact OD2-NH2 2.71Å; D135-R304 PolarHBondContact OD2-NH2 3.18Å
136V96.8Very high97.6Very high4 Ų416.9 Ų16.92%0.02410%0.1CC..SBendtrans-115.54.7171.6-59.40000113.9P133 T134 K138 L268 D269 K292P133-V136 HydrophobicContact CG-CG1 3.68Å; P133-V136 WeakPolarHBondContact O-CG2 3.13Å; T134-V136 PolarHBondContact O-N 3.36Å; V136-K138 HydrophobicContact CG2-CD 4.46Å; V136-K138 HydrophobicContact CG2-CG 3.74Å; V136-L268 HydrophobicContact CB-CB 4.03Å; V136-L268 HydrophobicContact CG2-CB 3.59Å; V136-L268 HydrophobicContact CG2-CD1 4.22Å; V136-L268 HydrophobicContact CG2-CG 4.49Å; V136-D269 HydrophobicContact CB-CB 4.32Å; V136-D269 HydrophobicContact CG1-CB 4.01Å; V136-K292 HydrophobicContact CB-CB 4.32Å
137G96.5Very high97.6Very high13 Ų1316.8 Ų16.813%0.13410%0.099CC..  trans87.419.1176.200000116.2S139 T140 V141G137-S139 PolarHBondContact O-N 3.27Å; G137-T140 WeakPolarHBondContact O-CB 3.13Å; G137-T140 PolarHBondContact O-N 2.6Å; G137-T140 VanDerWaalsContact O-N 3.11Å; G137-V141 PolarHBondContact O-N 3.4Å
138K97.6Very high97.6Very high14 Ų1416.7 Ų16.76%0.06110%0.099CC..Hα-helixtrans-51.3-53.4-178.8-63.5-168-62.8-72.60113.6V130 G132 P133 V136 T140 V141 C142 N240 T241 L268V130-K138 HydrophobicContact CG1-CB 4.09Å; V130-K138 HydrophobicContact CG1-CG 4.14Å; G132-K138 WeakPolarHBondContact O-CE 3.5Å; G132-K138 PolarHBondContact O-NZ 3.49Å; P133-K138 PolarHBondContact O-NZ 3.26Å; V136-K138 HydrophobicContact CG2-CD 4.46Å; V136-K138 HydrophobicContact CG2-CG 3.74Å; K138-T140 VanDerWaalsContact C-N 3.28Å; K138-T140 PolarHBondContact O-N 3.43Å; K138-V141 PolarHBondContact O-N 2.55Å; K138-C142 PolarHBondContact O-N 2.87Å; K138-C142 PolarHBondContact O-SG 3.38Å; K138-N240 WeakPolarHBondContact CB-OD1 3.39Å; K138-T241 WeakPolarHBondContact CE-O 3.25Å; K138-L268 HydrophobicContact CB-CD1 4.31Å; K138-L268 HydrophobicContact CG-CD1 3.87Å; K138-L268 HydrophobicContact CG-CG 4.46Å
139S96.8Very high97.6Very high61 Ų6116.7 Ų16.743%0.42710%0.099SC..Hα-helixtrans-62.8-35.6-179.9-50.20000112.3G137 C142 R143 N240G137-S139 PolarHBondContact O-N 3.27Å; S139-C142 PolarHBondContact O-N 3.48Å; S139-R143 WeakPolarHBondContact O-CB 3.47Å; S139-R143 PolarHBondContact O-N 2.87Å; S139-N240 PolarHBondContact OG-ND2 2.73Å
140T96.8Very high97.5Very high47 Ų4717.4 Ų17.429%0.28810%0.103SC..Hα-helixtrans-66.2-46.4176-54.50000111.5F56 G137 K138 C142 R143 M144F56-T140 HydrophobicContact CB-CG2 4.42Å; F56-T140 HydrophobicContact CD1-CG2 3.3Å; F56-T140 HydrophobicContact CE1-CG2 3.59Å; F56-T140 HydrophobicContact CG-CG2 3.89Å; F56-T140 HydrophobicContact CZ-CG2 4.38Å; G137-T140 WeakPolarHBondContact O-CB 3.13Å; G137-T140 PolarHBondContact O-N 2.6Å; G137-T140 VanDerWaalsContact O-N 3.11Å; K138-T140 VanDerWaalsContact C-N 3.28Å; K138-T140 PolarHBondContact O-N 3.43Å; T140-C142 VanDerWaalsContact C-N 3.33Å; T140-C142 PolarHBondContact O-N 3.48Å; T140-R143 PolarHBondContact O-N 3.05Å; T140-M144 HydrophobicContact CG2-SD 4.5Å; T140-M144 WeakPolarHBondContact O-CG 3.48Å; T140-M144 PolarHBondContact O-N 3.08Å
141V97.9Very high97.4Very high1 Ų121.5 Ų21.51%0.00612%0.119CC..Hα-helixtrans-61.9-42.4175.6172.50000110.7Y104 G137 K138 R143 M144 L145 L268Y104-V141 HydrophobicContact CD1-CG2 4.3Å; Y104-V141 HydrophobicContact CE1-CG2 3.72Å; Y104-V141 HydrophobicContact CE2-CG2 4.14Å; G137-V141 PolarHBondContact O-N 3.4Å; K138-V141 PolarHBondContact O-N 2.55Å; V141-R143 PolarHBondContact O-N 2.88Å; V141-M144 PolarHBondContact O-N 2.81Å; V141-L145 HydrophobicContact CG1-CD1 3.8Å; V141-L145 HydrophobicContact CG1-CG 4.2Å; V141-L145 WeakPolarHBondContact O-CB 3.44Å; V141-L145 VanDerWaalsContact O-CG 3.31Å; V141-L145 WeakPolarHBondContact O-CG 3.47Å; V141-L145 PolarHBondContact O-N 3.09Å; V141-L268 HydrophobicContact CB-CD1 4.32Å; V141-L268 HydrophobicContact CG2-CD1 3.89Å; V141-L268 HydrophobicContact CG2-CD2 4.46Å
142C98.3Very high97.3Very high3 Ų325.1 Ų25.12%0.0214%0.14CC..Hα-helixtrans-58.6-49174.5-65.80000111.2K138 S139 T140 M144 L145 L146 I238K138-C142 PolarHBondContact O-N 2.87Å; K138-C142 PolarHBondContact O-SG 3.38Å; S139-C142 PolarHBondContact O-N 3.48Å; T140-C142 VanDerWaalsContact C-N 3.33Å; T140-C142 PolarHBondContact O-N 3.48Å; C142-M144 PolarHBondContact O-N 3.35Å; C142-L145 PolarHBondContact O-N 3.07Å; C142-L146 WeakPolarHBondContact O-CB 3.49Å; C142-L146 WeakPolarHBondContact O-CD1 3.3Å; C142-L146 WeakPolarHBondContact O-CG 3.43Å; C142-L146 PolarHBondContact O-N 2.71Å; C142-I238 HydrophobicContact CB-CG2 4.02Å
143R97.3Very high97.2Very high48 Ų4828.2 Ų28.218%0.18117%0.172CC..Hα-helixtrans-56.8-47.4177.6-178175.2177.1176.3-2.5111.6F56 S139 T140 V141 S147 A183 D184 V185 F189F56-R143 HydrophobicContact CB-CG 4.25Å; S139-R143 WeakPolarHBondContact O-CB 3.47Å; S139-R143 PolarHBondContact O-N 2.87Å; T140-R143 PolarHBondContact O-N 3.05Å; V141-R143 PolarHBondContact O-N 2.88Å; R143-S147 WeakPolarHBondContact O-CB 3.45Å; R143-S147 PolarHBondContact O-N 3.39Å; R143-S147 PolarHBondContact O-OG 3.34Å; R143-S147 VanDerWaalsContact O-OG 3.11Å; R143-A183 HydrophobicContact CG-CB 4.2Å; R143-D184 PolarHBondContact NH2-O 3.06Å; R143-V185 PolarHBondContact NH2-O 3.09Å; R143-V185 VanDerWaalsContact NH2-O 3.12Å; R143-F189 HydrophobicContact CB-CE2 4.18Å; R143-F189 HydrophobicContact CB-CZ 4.34Å; R143-F189 HydrophobicContact CG-CE2 4.03Å; R143-F189 HydrophobicContact CG-CZ 3.95Å
144M97.4Very high97.2Very high4 Ų428.1 Ų28.12%0.0217%0.168CC..Hα-helixtrans-61.6-51.7178.6-73.8-179.459.700112.9F56 M101 Y104 T140 V141 C142 L146 S147 Y148F56-M144 VanDerWaalsContact C-CG 3.45Å; F56-M144 HydrophobicContact CB-CG 4.1Å; F56-M144 WeakPolarHBondContact O-CA 3.45Å; M101-M144 HydrophobicContact CE-CE 3.34Å; M101-M144 HydrophobicContact CE-SD 4.46Å; M101-M144 HydrophobicContact SD-CE 3.38Å; M101-M144 WeakPolarHBondContact SD-CE 3.29Å; M101-M144 HydrophobicContact SD-SD 3.99Å; Y104-M144 HydrophobicContact CD2-CE 3.7Å; Y104-M144 HydrophobicContact CD2-SD 3.87Å; Y104-M144 HydrophobicContact CE2-SD 4.33Å; Y104-M144 HydrophobicContact CG-CE 4.28Å; T140-M144 HydrophobicContact CG2-SD 4.5Å; T140-M144 WeakPolarHBondContact O-CG 3.48Å; T140-M144 PolarHBondContact O-N 3.08Å; V141-M144 PolarHBondContact O-N 2.81Å; C142-M144 PolarHBondContact O-N 3.35Å; M144-L146 VanDerWaalsContact C-N 3.29Å; M144-L146 PolarHBondContact O-N 3.35Å; M144-S147 PolarHBondContact O-N 2.96Å; M144-Y148 HydrophobicContact CE-CE2 3.89Å; M144-Y148 WeakPolarHBondContact CE-OH 3.43Å; M144-Y148 WeakPolarHBondContact O-CB 3.5Å; M144-Y148 VanDerWaalsContact O-CG 3.29Å; M144-Y148 PolarHBondContact O-N 3.36Å
145L98.5Very high97.2Very high1 Ų128.9 Ų28.91%0.00516%0.162CC..Hα-helixtrans-63.2-36.6-177.2-69.3177.5000111.9T107 H108 V141 C142 A149 I238 L266T107-L145 HydrophobicContact CG2-CD1 4.37Å; T107-L145 HydrophobicContact CG2-CD2 4.15Å; H108-L145 HydrophobicContact CB-CD2 3.91Å; V141-L145 HydrophobicContact CG1-CD1 3.8Å; V141-L145 HydrophobicContact CG1-CG 4.2Å; V141-L145 WeakPolarHBondContact O-CB 3.44Å; V141-L145 VanDerWaalsContact O-CG 3.31Å; V141-L145 WeakPolarHBondContact O-CG 3.47Å; V141-L145 PolarHBondContact O-N 3.09Å; C142-L145 PolarHBondContact O-N 3.07Å; L145-A149 WeakPolarHBondContact O-CB 3.26Å; L145-A149 PolarHBondContact O-N 3.04Å; L145-I238 HydrophobicContact CB-CD1 3.52Å; L145-L266 HydrophobicContact CD1-CD1 3.65Å
146L98.4Very high97.4Very high0 Ų027.2 Ų27.20%015%0.153CC..Hα-helixtrans-67.9-48.1173.7-72.5164.7000111.5C142 M144 Y148 A149 V150 P156 L158 I179 F189 I238C142-L146 WeakPolarHBondContact O-CB 3.49Å; C142-L146 WeakPolarHBondContact O-CD1 3.3Å; C142-L146 WeakPolarHBondContact O-CG 3.43Å; C142-L146 PolarHBondContact O-N 2.71Å; M144-L146 VanDerWaalsContact C-N 3.29Å; M144-L146 PolarHBondContact O-N 3.35Å; L146-Y148 PolarHBondContact O-N 3.17Å; L146-A149 WeakPolarHBondContact O-CB 3.35Å; L146-A149 PolarHBondContact O-N 2.71Å; L146-V150 WeakPolarHBondContact O-CG2 3.21Å; L146-V150 PolarHBondContact O-N 2.94Å; L146-P156 HydrophobicContact CD2-CB 3.77Å; L146-P156 HydrophobicContact CD2-CG 3.54Å; L146-L158 HydrophobicContact CD1-CB 3.69Å; L146-L158 HydrophobicContact CD1-CD1 3.74Å; L146-L158 HydrophobicContact CD1-CD2 4.28Å; L146-L158 HydrophobicContact CD1-CG 4.08Å; L146-I179 HydrophobicContact CB-CG1 4.42Å; L146-I179 HydrophobicContact CD1-CG1 4.16Å; L146-I179 HydrophobicContact CD2-CG1 3.89Å; L146-I179 HydrophobicContact CG-CG1 4.39Å; L146-F189 HydrophobicContact CB-CE1 4.3Å; L146-F189 HydrophobicContact CB-CE2 4.37Å; L146-F189 HydrophobicContact CB-CZ 3.65Å; L146-F189 HydrophobicContact CD1-CE2 3.87Å; L146-F189 HydrophobicContact CD1-CZ 4.01Å; L146-F189 HydrophobicContact CG-CZ 4.49Å; L146-I238 HydrophobicContact CD2-CB 4.08Å; L146-I238 HydrophobicContact CD2-CD1 3.77Å; L146-I238 HydrophobicContact CD2-CG1 4.22Å; L146-I238 HydrophobicContact CG-CB 4.24Å; L146-I238 HydrophobicContact CG-CD1 3.74Å; L146-I238 HydrophobicContact CG-CG1 4.48Å
147S97.8Very high97.5Very high0 Ų027.1 Ų27.10%015%0.152CC..Hα-helixtrans-59.5-44.5177.3-71.70000111.7R143 M144 V150 R151 A183R143-S147 WeakPolarHBondContact O-CB 3.45Å; R143-S147 PolarHBondContact O-N 3.39Å; R143-S147 PolarHBondContact O-OG 3.34Å; R143-S147 VanDerWaalsContact O-OG 3.11Å; M144-S147 PolarHBondContact O-N 2.96Å; S147-V150 PolarHBondContact O-N 2.79Å; S147-R151 WeakPolarHBondContact O-CG 3.35Å; S147-R151 PolarHBondContact O-N 3.36Å; S147-A183 PolarHBondContact OG-N 3.23Å
148Y98.3Very high97.6Very high10 Ų1026.9 Ų26.94%0.03915%0.148CC..Hα-helixtrans-63.1-42.5175.4-66.2-23.3000112.5E54 M101 H108 M144 L146 V150 R151 V152E54-Y148 WeakPolarHBondContact OE1-CE1 3.37Å; E54-Y148 PolarHBondContact OE1-OH 3.12Å; M101-Y148 VanDerWaalsContact CE-OH 3.31Å; M101-Y148 WeakPolarHBondContact CE-OH 3.32Å; H108-Y148 HydrophobicContact CB-CD2 3.96Å; H108-Y148 PolarHBondContact CE1-O 3.49Å; H108-Y148 WeakPolarHBondContact ND1-CB 3.48Å; M144-Y148 HydrophobicContact CE-CE2 3.89Å; M144-Y148 WeakPolarHBondContact CE-OH 3.43Å; M144-Y148 WeakPolarHBondContact O-CB 3.5Å; M144-Y148 VanDerWaalsContact O-CG 3.29Å; M144-Y148 PolarHBondContact O-N 3.36Å; L146-Y148 PolarHBondContact O-N 3.17Å; Y148-V150 VanDerWaalsContact C-N 3.3Å; Y148-V150 PolarHBondContact O-N 3.05Å; Y148-R151 PolarHBondContact O-N 3.18Å; Y148-V152 PolarHBondContact O-N 2.91Å
149A98.3Very high97.6Very high0 Ų026.2 Ų26.20%015%0.145CC..Hα-helixtrans-58.3-42.117600000112.3H108 L145 L146 V152 R154 P156H108-A149 PolarHBondContact CE1-N 3.42Å; L145-A149 WeakPolarHBondContact O-CB 3.26Å; L145-A149 PolarHBondContact O-N 3.04Å; L146-A149 WeakPolarHBondContact O-CB 3.35Å; L146-A149 PolarHBondContact O-N 2.71Å; A149-V152 VanDerWaalsContact O-CG2 3.26Å; A149-V152 WeakPolarHBondContact O-CG2 3.42Å; A149-V152 PolarHBondContact O-N 2.68Å; A149-R154 HydrophobicContact CB-CB 4.29Å; A149-R154 VanDerWaalsContact O-CB 3.22Å; A149-R154 WeakPolarHBondContact O-CB 3.46Å; A149-R154 PolarHBondContact O-N 3.34Å; A149-P156 HydrophobicContact CB-CG 3.85Å
150V97.3Very high97.7Very high15 Ų1523.6 Ų23.69%0.09113%0.126CC..Hα-helixtrans-72.4-35178.3176.80000112.7L146 S147 Y148 V152 G153 P156 I179 E180 P182L146-V150 WeakPolarHBondContact O-CG2 3.21Å; L146-V150 PolarHBondContact O-N 2.94Å; S147-V150 PolarHBondContact O-N 2.79Å; Y148-V150 VanDerWaalsContact C-N 3.3Å; Y148-V150 PolarHBondContact O-N 3.05Å; V150-V152 PolarHBondContact O-N 3.02Å; V150-G153 WeakPolarHBondContact O-CA 3.44Å; V150-G153 PolarHBondContact O-N 3.23Å; V150-P156 HydrophobicContact CG2-CG 4.36Å; V150-I179 HydrophobicContact CG2-CB 4.19Å; V150-I179 HydrophobicContact CG2-CG2 3.76Å; V150-I179 WeakPolarHBondContact CG2-O 3.32Å; V150-E180 VanDerWaalsContact CG1-O 3.27Å; V150-E180 WeakPolarHBondContact CG1-O 3.44Å; V150-P182 HydrophobicContact CG1-CG 4.42Å
151R96.3Very high97.8Very high87 Ų8721.4 Ų21.433%0.32811%0.113SC..Hα-helixtrans-58.4-31174.7-75.6169.970.6-169.8-3112.7E54 G57 E59 S147 Y148 G153 P182E54-R151 IonicContact OE2-CZ 2.99Å; E54-R151 IonicContact OE2-NH1 3.85Å; E54-R151 PolarHBondContact OE2-NH1 3.15Å; E54-R151 IonicContact OE2-NH2 3.74Å; G57-R151 WeakPolarHBondContact O-CD 3.4Å; G57-R151 PolarHBondContact O-NH1 3.22Å; E59-R151 VanDerWaalsContact CD-CZ 3.42Å; E59-R151 VanDerWaalsContact CG-CZ 3.48Å; E59-R151 IonicContact OE1-CZ 2.79Å; E59-R151 IonicContact OE1-NE 2.66Å; E59-R151 IonicContact OE1-NH2 3.66Å; E59-R151 PolarHBondContact OE1-NH2 2.9Å; E59-R151 IonicContact OE2-CZ 2.88Å; E59-R151 IonicContact OE2-NE 3.98Å; E59-R151 PolarHBondContact OE2-NE 3.41Å; E59-R151 IonicContact OE2-NH2 2.83Å; S147-R151 WeakPolarHBondContact O-CG 3.35Å; S147-R151 PolarHBondContact O-N 3.36Å; Y148-R151 PolarHBondContact O-N 3.18Å; R151-G153 VanDerWaalsContact C-N 3.34Å; R151-P182 HydrophobicContact CG-CG 3.97Å
152V96.7Very high97.8Very high75 Ų7522.4 Ų22.446%0.45512%0.118SC..THydrogen-bonded Turntrans-93.816174.2-56.90000113.7Y148 A149 V150 R154Y148-V152 PolarHBondContact O-N 2.91Å; A149-V152 VanDerWaalsContact O-CG2 3.26Å; A149-V152 WeakPolarHBondContact O-CG2 3.42Å; A149-V152 PolarHBondContact O-N 2.68Å; V150-V152 PolarHBondContact O-N 3.02Å; V152-R154 HydrophobicContact CG2-CG 4.16Å
153G96.4Very high97.7Very high65 Ų6522.3 Ų22.367%0.6712%0.117SC*.THydrogen-bonded Turntrans85.711.4171.100000115.9V150 R151V150-G153 WeakPolarHBondContact O-CA 3.44Å; V150-G153 PolarHBondContact O-N 3.23Å; R151-G153 VanDerWaalsContact C-N 3.34Å
154R97.4Very high97.6Very high28 Ų2820.4 Ų20.411%0.10611%0.113CC..  trans-83.3163.9175.6-54.2-63.6-173.2-173.1-2.5111.5E112 E119 A149 V152E112-R154 IonicContact OE1-CZ 3.2Å; E112-R154 IonicContact OE1-NE 3.69Å; E112-R154 PolarHBondContact OE1-NE 3.32Å; E112-R154 VanDerWaalsContact OE1-NE 3.14Å; E112-R154 IonicContact OE1-NH2 3.51Å; E112-R154 PolarHBondContact OE1-NH2 3.05Å; E112-R154 WeakPolarHBondContact OE2-CG 3.31Å; E112-R154 IonicContact OE2-CZ 3.49Å; E112-R154 IonicContact OE2-NE 3.14Å; E112-R154 PolarHBondContact OE2-NE 2.8Å; E112-R154 IonicContact OE2-NH2 2.8Å; E119-R154 IonicContact OE1-NH1 3.65Å; E119-R154 IonicContact OE2-CZ 3.25Å; E119-R154 IonicContact OE2-NH1 3.46Å; E119-R154 PolarHBondContact OE2-NH1 3.12Å; E119-R154 IonicContact OE2-NH2 2.73Å; E119-R154 PolarHBondContact OE2-NH2 3.1Å; A149-R154 HydrophobicContact CB-CB 4.29Å; A149-R154 VanDerWaalsContact O-CB 3.22Å; A149-R154 WeakPolarHBondContact O-CB 3.46Å; A149-R154 PolarHBondContact O-N 3.34Å; V152-R154 HydrophobicContact CG2-CG 4.16Å
155R96.3Very high97.3Very high95 Ų9521.4 Ų21.436%0.35812%0.117SC..  trans-127.569174.9-66.4-169.9176.7-155.9-1.2110.8E180R155-E180 IonicContact CZ-OE1 3.88Å; R155-E180 IonicContact CZ-OE2 3.76Å; R155-E180 VanDerWaalsContact NH1-CD 3.27Å; R155-E180 IonicContact NH1-OE1 3.73Å; R155-E180 PolarHBondContact NH1-OE1 3.17Å; R155-E180 IonicContact NH1-OE2 2.85Å; R155-E180 PolarHBondContact NH1-OE2 3.33Å
156P98Very high96.7Very high0 Ų021.6 Ų21.60%012%0.119CC..PPolyproline II helixtrans-71.3157.917933.9-37.9000111.5L146 A149 V150 I179 G236L146-P156 HydrophobicContact CD2-CB 3.77Å; L146-P156 HydrophobicContact CD2-CG 3.54Å; A149-P156 HydrophobicContact CB-CG 3.85Å; V150-P156 HydrophobicContact CG2-CG 4.36Å; P156-I179 HydrophobicContact CG-CB 4.46Å; P156-I179 PolarHBondContact O-N 3.13Å; P156-G236 WeakPolarHBondContact CA-O 3.4Å
157T98.5Very high96.1Very high2 Ų224 Ų241%0.01214%0.143CC..EExtended strand (participates in β ladder)trans-98.9127170.5-58.70000110.3V159 A176 L177 F222 G236 C237 I238T157-V159 HydrophobicContact CG2-CG2 4.29Å; T157-A176 HydrophobicContact CG2-CB 3.92Å; T157-L177 CarbonylContact C-O 3.5Å; T157-L177 WeakPolarHBondContact CA-O 3.36Å; T157-F222 HydrophobicContact CG2-CD2 4.09Å; T157-F222 HydrophobicContact CG2-CE2 4.17Å; T157-G236 PolarHBondContact N-O 3.41Å; T157-C237 CarbonylContact O-C 3.56Å; T157-C237 WeakPolarHBondContact O-CA 3.18Å; T157-C237 VanDerWaalsContact O-CB 3.26Å; T157-C237 WeakPolarHBondContact O-CB 3.3Å; T157-I238 PolarHBondContact O-N 2.84Å
158L98.7Very high95.9Very high9 Ų924.4 Ų24.45%0.04715%0.146CC..EExtended strand (participates in β ladder)trans-76.6128.3162.317359.6000108.1L146 V168 A176 L177 I179 F189 N240L146-L158 HydrophobicContact CD1-CB 3.69Å; L146-L158 HydrophobicContact CD1-CD1 3.74Å; L146-L158 HydrophobicContact CD1-CD2 4.28Å; L146-L158 HydrophobicContact CD1-CG 4.08Å; L158-V168 HydrophobicContact CD2-CG2 3.64Å; L158-V168 HydrophobicContact CG-CG2 4.34Å; L158-A176 CarbonylContact O-C 3.55Å; L158-A176 WeakPolarHBondContact O-CA 3.48Å; L158-L177 HydrophobicContact CB-CB 4.5Å; L158-L177 PolarHBondContact N-O 3.44Å; L158-L177 PolarHBondContact O-N 3.49Å; L158-I179 HydrophobicContact CB-CD1 4.02Å; L158-I179 HydrophobicContact CB-CG1 4.13Å; L158-F189 HydrophobicContact CD2-CD2 4.32Å; L158-N240 HydrophobicContact CD1-CB 4.49Å
159V98.6Very high95.8Very high0 Ų024.6 Ų24.60%015%0.149CC..EExtended strand (participates in β ladder)trans-111.7120.2168.9172.70000106.7T157 L161 A176 L218 C237 I238 I239 N240 F260T157-V159 HydrophobicContact CG2-CG2 4.29Å; V159-L161 HydrophobicContact CG1-CD2 3.73Å; V159-L161 HydrophobicContact CG1-CG 3.95Å; V159-A176 HydrophobicContact CG2-CB 4.4Å; V159-L218 HydrophobicContact CG1-CD2 3.67Å; V159-C237 HydrophobicContact CG2-CB 4.16Å; V159-I238 PolarHBondContact N-O 3.43Å; V159-I239 HydrophobicContact CB-CB 4.2Å; V159-I239 HydrophobicContact CB-CG1 3.86Å; V159-I239 HydrophobicContact CB-CG2 4.19Å; V159-I239 HydrophobicContact CG1-CB 4.37Å; V159-I239 HydrophobicContact CG1-CG1 4.14Å; V159-I239 HydrophobicContact CG1-CG2 3.84Å; V159-I239 HydrophobicContact CG2-CG1 4.26Å; V159-I239 CarbonylContact O-C 3.52Å; V159-I239 WeakPolarHBondContact O-CA 3.37Å; V159-N240 PolarHBondContact O-N 2.88Å; V159-F260 HydrophobicContact CG1-CE1 4.2Å; V159-F260 HydrophobicContact CG1-CE2 4.25Å; V159-F260 HydrophobicContact CG1-CZ 3.69Å; V159-F260 HydrophobicContact CG2-CE1 3.95Å; V159-F260 HydrophobicContact CG2-CZ 4.24Å
160E98.2Very high95.7Very high6 Ų624.7 Ų24.73%0.02815%0.149CC..EExtended strand (participates in β ladder)trans-110.3109-178.2-178.657.5-90.600109.8D162 V168 S175 N240E160-D162 VanDerWaalsContact OE1-CB 3.28Å; E160-D162 WeakPolarHBondContact OE1-CB 3.39Å; E160-D162 PolarHBondContact OE1-N 2.96Å; E160-V168 HydrophobicContact CB-CG2 4.13Å; E160-S175 PolarHBondContact N-O 3.02Å; E160-S175 PolarHBondContact O-N 3.04Å; E160-N240 PolarHBondContact OE1-ND2 3.36Å; E160-N240 PolarHBondContact OE2-ND2 3.03Å
161L98.4Very high95.7Very high1 Ų124.1 Ų24.11%0.00515%0.146CC..  trans-108.33.5178.9-50.3-176.9000112.2V159 V163 V174 Y211 T215 L218 I239 N240 C256V159-L161 HydrophobicContact CG1-CD2 3.73Å; V159-L161 HydrophobicContact CG1-CG 3.95Å; L161-V163 PolarHBondContact O-N 3.34Å; L161-V174 HydrophobicContact CD2-CG1 3.57Å; L161-Y211 WeakPolarHBondContact CB-OH 3.39Å; L161-Y211 WeakPolarHBondContact O-CE2 3.37Å; L161-Y211 PolarHBondContact O-OH 2.92Å; L161-T215 HydrophobicContact CD1-CG2 4.06Å; L161-L218 HydrophobicContact CD2-CD2 4.01Å; L161-I239 HydrophobicContact CD1-CG2 3.58Å; L161-I239 HydrophobicContact CG-CG2 3.92Å; L161-N240 WeakPolarHBondContact CB-O 3.49Å; L161-N240 PolarHBondContact N-O 3.45Å; L161-C256 HydrophobicContact CD1-CB 4.34Å; L161-C256 WeakPolarHBondContact CD1-SG 3.16Å
162D97.8Very high95.8Very high22 Ų2220 Ų2012%0.11813%0.13CC..  trans-82.393.5169.7-165.1-24.3000111.3E160 G164 Q165 S166 C242E160-D162 VanDerWaalsContact OE1-CB 3.28Å; E160-D162 WeakPolarHBondContact OE1-CB 3.39Å; E160-D162 PolarHBondContact OE1-N 2.96Å; D162-G164 PolarHBondContact O-N 3.11Å; D162-G164 WeakPolarHBondContact OD1-CA 3.44Å; D162-G164 PolarHBondContact OD1-N 3.24Å; D162-Q165 PolarHBondContact O-N 3.28Å; D162-Q165 PolarHBondContact OD1-N 3.07Å; D162-Q165 VanDerWaalsContact OD1-N 3.12Å; D162-S166 PolarHBondContact O-N 3.06Å; D162-C242 HydrophobicContact CB-CB 4.3Å
163V97.3Very high95.9Very high0 Ų016.4 Ų16.40%011%0.108CC..SBendtrans-65.7-16.7176.2-62.40000113.2L161 G172 T173 V174 F199 P204 Y211L161-V163 PolarHBondContact O-N 3.34Å; V163-G172 PolarHBondContact O-N 2.98Å; V163-T173 WeakPolarHBondContact CG1-O 3.45Å; V163-V174 HydrophobicContact CG1-CG2 3.78Å; V163-F199 HydrophobicContact CB-CD1 3.79Å; V163-F199 HydrophobicContact CB-CE1 4.31Å; V163-F199 HydrophobicContact CG1-CB 4.05Å; V163-F199 HydrophobicContact CG1-CD1 3.58Å; V163-F199 HydrophobicContact CG1-CE1 4.28Å; V163-F199 HydrophobicContact CG1-CG 3.91Å; V163-F199 HydrophobicContact CG2-CD1 3.92Å; V163-F199 HydrophobicContact CG2-CE1 3.91Å; V163-P204 HydrophobicContact CG2-CG 3.87Å; V163-Y211 HydrophobicContact CG1-CD2 4.11Å; V163-Y211 HydrophobicContact CG1-CE2 3.93Å
164G95.3Very high96Very high8 Ų813.3 Ų13.38%0.0828%0.076CC..SBendtrans-88.4-33-178.500000113.7D162 T202 R308D162-G164 PolarHBondContact O-N 3.11Å; D162-G164 WeakPolarHBondContact OD1-CA 3.44Å; D162-G164 PolarHBondContact OD1-N 3.24Å; G164-T202 VanDerWaalsContact CA-O 3.24Å; G164-T202 WeakPolarHBondContact CA-O 2.88Å; G164-R308 VanDerWaalsContact O-CD 3.31Å; G164-R308 WeakPolarHBondContact O-CD 3.3Å; G164-R308 WeakPolarHBondContact O-CG 3.24Å
165Q90.5Very high96Very high26 Ų2612 Ų1212%0.1217%0.071CC..SBendtrans-139.561.8-177-63.8-68.8-71.500110.6D162 G167 R304D162-Q165 PolarHBondContact O-N 3.28Å; D162-Q165 PolarHBondContact OD1-N 3.07Å; D162-Q165 VanDerWaalsContact OD1-N 3.12Å; Q165-G167 PolarHBondContact O-N 3.41Å; Q165-R304 PolarHBondContact NE2-O 2.96Å
166S86.8Confident96.1Very high5 Ų57.9 Ų7.94%0.0356%0.058CC..  trans-66.5130.4179.7-1780000111.6D162 V168 S169D162-S166 PolarHBondContact O-N 3.06Å; S166-V168 PolarHBondContact OG-N 3.5Å; S166-S169 WeakPolarHBondContact CB-O 3.11Å; S166-S169 PolarHBondContact OG-N 2.91Å; S166-S169 PolarHBondContact OG-O 3.37Å
167G86.1Confident96.1Very high49 Ų498 Ų851%0.5056%0.059SC..SBendtrans-89.2-2.6173.500000114.6Q165Q165-G167 PolarHBondContact O-N 3.41Å
168V93.6Very high96.1Very high9 Ų99 Ų96%0.0557%0.066CC..SBendtrans-115.7-35.9-171.3174.50000112.6L158 E160 S166 S175 L177 V191 P194L158-V168 HydrophobicContact CD2-CG2 3.64Å; L158-V168 HydrophobicContact CG-CG2 4.34Å; E160-V168 HydrophobicContact CB-CG2 4.13Å; S166-V168 PolarHBondContact OG-N 3.5Å; V168-S175 WeakPolarHBondContact CB-OG 3.23Å; V168-L177 HydrophobicContact CG1-CB 3.99Å; V168-L177 HydrophobicContact CG2-CB 4.1Å; V168-L177 HydrophobicContact CG2-CD2 4.39Å; V168-V191 WeakPolarHBondContact O-CG1 3.25Å; V168-P194 HydrophobicContact CG1-CB 3.74Å
169S94.9Very high96Very high15 Ų158.8 Ų8.811%0.1057%0.065CC..SBendtrans-143.8-173.1-177.1-161.80000110.4S166 F402S166-S169 WeakPolarHBondContact CB-O 3.11Å; S166-S169 PolarHBondContact OG-N 2.91Å; S166-S169 PolarHBondContact OG-O 3.37Å; S169-F402 WeakPolarHBondContact OG-CE2 3.2Å
170V96.8Very high95.8Very high1 Ų113 Ų131%0.0068%0.084CC..SBendtrans-60.4154.8175.5-56.90000110.8T173 I312 Y315 F402 M433V170-T173 HydrophobicContact CG2-CG2 3.92Å; V170-T173 WeakPolarHBondContact O-CB 3.31Å; V170-T173 WeakPolarHBondContact O-CG2 3.27Å; V170-T173 PolarHBondContact O-OG1 3.17Å; V170-I312 HydrophobicContact CB-CG1 4.24Å; V170-I312 HydrophobicContact CG1-CG1 4.31Å; V170-Y315 HydrophobicContact CG1-CD1 4.28Å; V170-Y315 HydrophobicContact CG1-CD2 4.15Å; V170-Y315 HydrophobicContact CG1-CG 3.81Å; V170-F402 HydrophobicContact CG1-CD2 4.26Å; V170-F402 HydrophobicContact CG1-CG 4.44Å; V170-F402 HydrophobicContact CG2-CD1 3.53Å; V170-F402 HydrophobicContact CG2-CD2 3.68Å; V170-F402 HydrophobicContact CG2-CE1 3.5Å; V170-F402 HydrophobicContact CG2-CE2 3.7Å; V170-F402 HydrophobicContact CG2-CG 3.63Å; V170-F402 HydrophobicContact CG2-CZ 3.62Å; V170-M433 HydrophobicContact CG2-CE 4.44Å
171P97.8Very high95.6Very high3 Ų319.9 Ų19.92%0.01911%0.11CC..SBendtrans-59.8157.1175.7-16.429.2000111.3R308 I312 M433 I435P171-R308 HydrophobicContact CB-CB 4.35Å; P171-R308 HydrophobicContact CB-CG 3.81Å; P171-R308 HydrophobicContact CG-CB 3.59Å; P171-R308 HydrophobicContact CG-CG 3.47Å; P171-R308 VanDerWaalsContact CG-CG 3.47Å; P171-I312 HydrophobicContact CG-CG1 4.5Å; P171-M433 WeakPolarHBondContact O-CE 3.41Å; P171-I435 HydrophobicContact CB-CD1 4.04Å; P171-I435 WeakPolarHBondContact O-CD1 3.5Å
172G98Very high95.3Very high0 Ų022.3 Ų22.30%013%0.126CC..SBendtrans79.526.7-174.600000114V163 F199 G200 S201 M433V163-G172 PolarHBondContact O-N 2.98Å; G172-F199 CarbonylContact O-C 3.59Å; G172-F199 WeakPolarHBondContact O-CA 3.43Å; G172-F199 WeakPolarHBondContact O-CB 3.49Å; G172-F199 PolarHBondContact O-N 2.81Å; G172-G200 PolarHBondContact O-N 3.36Å; G172-S201 VanDerWaalsContact CA-O 3.28Å; G172-S201 WeakPolarHBondContact CA-O 3.25Å; G172-M433 WeakPolarHBondContact O-CE 3.45Å
173T98.5Very high95.1Very high0 Ų021.5 Ų21.50%012%0.122CC..EExtended strand (participates in β ladder)trans-128.7151.3-178.862.30000111.7V163 V170 V196 Y197 F402 M433V163-T173 WeakPolarHBondContact CG1-O 3.45Å; V170-T173 HydrophobicContact CG2-CG2 3.92Å; V170-T173 WeakPolarHBondContact O-CB 3.31Å; V170-T173 WeakPolarHBondContact O-CG2 3.27Å; V170-T173 PolarHBondContact O-OG1 3.17Å; T173-V196 HydrophobicContact CG2-CG1 3.76Å; T173-Y197 WeakPolarHBondContact CA-O 3.1Å; T173-F402 HydrophobicContact CG2-CE1 3.79Å; T173-F402 HydrophobicContact CG2-CE2 4.34Å; T173-F402 HydrophobicContact CG2-CZ 3.39Å; T173-M433 HydrophobicContact CG2-CE 4.31Å
174V98.4Very high94.9Very high0 Ų024 Ų240%014%0.136CC..EExtended strand (participates in β ladder)trans-111.3132.5165.2165.80000106.6L161 V163 Y197 Y211 L218L161-V174 HydrophobicContact CD2-CG1 3.57Å; V163-V174 HydrophobicContact CG1-CG2 3.78Å; V174-Y197 PolarHBondContact N-O 3.02Å; V174-Y197 PolarHBondContact O-N 3.26Å; V174-Y211 HydrophobicContact CG2-CD2 4.3Å; V174-Y211 HydrophobicContact CG2-CE2 4.17Å; V174-L218 HydrophobicContact CG1-CD2 3.69Å
175S98.3Very high94.8Very high0 Ų024 Ų240%013%0.134CC..EExtended strand (participates in β ladder)trans-149.1163.2-169.761.50000115.1E160 V168 L195E160-S175 PolarHBondContact N-O 3.02Å; E160-S175 PolarHBondContact O-N 3.04Å; V168-S175 WeakPolarHBondContact CB-OG 3.23Å; S175-L195 CarbonylContact C-O 3.37Å; S175-L195 WeakPolarHBondContact CA-O 3.37Å; S175-L195 VanDerWaalsContact CB-O 3.25Å; S175-L195 WeakPolarHBondContact CB-O 3.37Å
176A98.3Very high94.9Very high10 Ų1025.3 Ų25.38%0.08314%0.14CC..EExtended strand (participates in β ladder)trans-134.3142.7168.400000111.7T157 L158 V159 P194 L195 L218T157-A176 HydrophobicContact CG2-CB 3.92Å; L158-A176 CarbonylContact O-C 3.55Å; L158-A176 WeakPolarHBondContact O-CA 3.48Å; V159-A176 HydrophobicContact CG2-CB 4.4Å; A176-P194 WeakPolarHBondContact O-CA 3.37Å; A176-L195 HydrophobicContact CB-CB 4.49Å; A176-L195 PolarHBondContact N-O 2.96Å; A176-L195 PolarHBondContact O-N 3.42Å; A176-L218 HydrophobicContact CB-CD1 3.79Å; A176-L218 HydrophobicContact CB-CD2 4.39Å; A176-L218 HydrophobicContact CB-CG 4.4Å
177L98.1Very high94.9Very high2 Ų228.8 Ų28.81%0.0116%0.156CC..EExtended strand (participates in β ladder)trans-134.4129.3-180-178.966.3000110.2T157 L158 V168 I179 F189 V191 P194T157-L177 CarbonylContact C-O 3.5Å; T157-L177 WeakPolarHBondContact CA-O 3.36Å; L158-L177 HydrophobicContact CB-CB 4.5Å; L158-L177 PolarHBondContact N-O 3.44Å; L158-L177 PolarHBondContact O-N 3.49Å; V168-L177 HydrophobicContact CG1-CB 3.99Å; V168-L177 HydrophobicContact CG2-CB 4.1Å; V168-L177 HydrophobicContact CG2-CD2 4.39Å; L177-I179 HydrophobicContact CB-CD1 4.27Å; L177-I179 HydrophobicContact CD2-CD1 3.76Å; L177-I179 HydrophobicContact CG-CD1 3.82Å; L177-F189 HydrophobicContact CD2-CB 3.98Å; L177-V191 HydrophobicContact CD1-CG1 4.48Å; L177-V191 HydrophobicContact CD2-CG2 4.31Å; L177-P194 HydrophobicContact CD1-CB 4.23Å
178C97.1Very high95.2Very high24 Ų2427 Ų2716%0.16214%0.137CC..EExtended strand (participates in β ladder)trans-78.2124.3172.7-175.20000109.8R225C178-R225 PolarHBondContact SG-NH2 2.83Å
179I97.3Very high95.2Very high4 Ų428.1 Ų28.12%0.02114%0.141CC..  trans-96.8112.5-179.8-46.5-54.5000108.6L146 V150 P156 L158 L177 R181 F189L146-I179 HydrophobicContact CB-CG1 4.42Å; L146-I179 HydrophobicContact CD1-CG1 4.16Å; L146-I179 HydrophobicContact CD2-CG1 3.89Å; L146-I179 HydrophobicContact CG-CG1 4.39Å; V150-I179 HydrophobicContact CG2-CB 4.19Å; V150-I179 HydrophobicContact CG2-CG2 3.76Å; V150-I179 WeakPolarHBondContact CG2-O 3.32Å; P156-I179 HydrophobicContact CG-CB 4.46Å; P156-I179 PolarHBondContact O-N 3.13Å; L158-I179 HydrophobicContact CB-CD1 4.02Å; L158-I179 HydrophobicContact CB-CG1 4.13Å; L177-I179 HydrophobicContact CB-CD1 4.27Å; L177-I179 HydrophobicContact CD2-CD1 3.76Å; L177-I179 HydrophobicContact CG-CD1 3.82Å; I179-R181 WeakPolarHBondContact CG2-O 2.93Å; I179-F189 HydrophobicContact CD1-CB 4.15Å; I179-F189 HydrophobicContact CD1-CD1 3.98Å; I179-F189 HydrophobicContact CD1-CD2 4.06Å; I179-F189 HydrophobicContact CD1-CE1 4.41Å; I179-F189 HydrophobicContact CD1-CE2 4.48Å; I179-F189 HydrophobicContact CD1-CG 3.8Å; I179-F189 HydrophobicContact CG2-CD1 3.58Å; I179-F189 HydrophobicContact CG2-CE1 3.47Å; I179-F189 VanDerWaalsContact CG2-CE1 3.47Å; I179-F189 HydrophobicContact CG2-CG 4.48Å; I179-F189 HydrophobicContact CG2-CZ 4.3Å
180E94.1Very high95Very high89 Ų8930.3 Ų30.342%0.41616%0.157SC..  trans-110.6-17.1-178.7-54.7-156.1148.600113.6V150 R155V150-E180 VanDerWaalsContact CG1-O 3.27Å; V150-E180 WeakPolarHBondContact CG1-O 3.44Å; R155-E180 IonicContact CZ-OE1 3.88Å; R155-E180 IonicContact CZ-OE2 3.76Å; R155-E180 VanDerWaalsContact NH1-CD 3.27Å; R155-E180 IonicContact NH1-OE1 3.73Å; R155-E180 PolarHBondContact NH1-OE1 3.17Å; R155-E180 IonicContact NH1-OE2 2.85Å; R155-E180 PolarHBondContact NH1-OE2 3.33Å
181R93.8Very high94.7Very high149 Ų14933.8 Ų33.856%0.56218%0.178SC*.SBendtrans-135.5151.5177.5-67.6-178.6-70.1176.61.7109.1I179I179-R181 WeakPolarHBondContact CG2-O 2.93Å
182P92.5Very high94.4Very high53 Ų5339.5 Ų39.534%0.34420%0.204SC..PPolyproline II helixtrans-53.1152.1169.3-22.734.7000110.3V150 R151 D184V150-P182 HydrophobicContact CG1-CG 4.42Å; R151-P182 HydrophobicContact CG-CG 3.97Å; P182-D184 PolarHBondContact O-N 2.94Å
183A93.8Very high94.1Very high5 Ų544.4 Ų44.44%0.04125%0.245CC..PPolyproline II helixtrans-57.1140174.600000110.1S58 R143 S147 G188 F189S58-A183 VanDerWaalsContact CB-O 3.23Å; S58-A183 WeakPolarHBondContact CB-O 3.43Å; S58-A183 PolarHBondContact OG-O 2.96Å; R143-A183 HydrophobicContact CG-CB 4.2Å; S147-A183 PolarHBondContact OG-N 3.23Å; A183-G188 CarbonylContact C-O 3.56Å; A183-G188 WeakPolarHBondContact CA-O 3.47Å; A183-F189 HydrophobicContact CB-CD1 3.67Å; A183-F189 HydrophobicContact CB-CE1 3.65Å; A183-F189 HydrophobicContact CB-CG 4.21Å; A183-F189 HydrophobicContact CB-CZ 4.17Å
184D93.6Very high94Very high53 Ų5346.5 Ų46.528%0.28326%0.258SS..BIsolated β-bridgetrans-60.7146.6160.5-174.6-88.1000108.8R143 P182 E186 E187 G188R143-D184 PolarHBondContact NH2-O 3.06Å; P182-D184 PolarHBondContact O-N 2.94Å; D184-E186 VanDerWaalsContact C-N 3.33Å; D184-E186 WeakPolarHBondContact OD1-CA 3.38Å; D184-E186 PolarHBondContact OD1-N 2.95Å; D184-E187 HydrophobicContact CB-CB 4.14Å; D184-E187 HydrophobicContact CB-CG 4.07Å; D184-E187 PolarHBondContact OD1-N 2.99Å; D184-E187 VanDerWaalsContact OD1-N 3.08Å; D184-G188 PolarHBondContact N-O 3.25Å; D184-G188 WeakPolarHBondContact O-CA 3.21Å; D184-G188 PolarHBondContact O-N 3.03Å
185V93.6Very high93.9Very high8 Ų848.6 Ų48.65%0.04827%0.269CS..THydrogen-bonded Turntrans-63.8-42.6-176.11730000110.7V55 L60 Y66 F68 R143V55-V185 HydrophobicContact CB-CG1 4.06Å; V55-V185 HydrophobicContact CG1-CG1 4.28Å; V55-V185 HydrophobicContact CG2-CG1 4.14Å; L60-V185 HydrophobicContact CD2-CB 4.45Å; L60-V185 HydrophobicContact CD2-CG1 4.07Å; L60-V185 HydrophobicContact CD2-CG2 3.55Å; Y66-V185 HydrophobicContact CD1-CB 3.62Å; Y66-V185 HydrophobicContact CD1-CG1 3.77Å; Y66-V185 HydrophobicContact CD1-CG2 4.05Å; Y66-V185 HydrophobicContact CE1-CB 3.81Å; Y66-V185 HydrophobicContact CE1-CG1 4.29Å; Y66-V185 HydrophobicContact CE1-CG2 3.71Å; Y66-V185 HydrophobicContact CG-CB 4.42Å; Y66-V185 HydrophobicContact CG-CG1 4.08Å; F68-V185 HydrophobicContact CE1-CG1 4.02Å; F68-V185 HydrophobicContact CZ-CG1 3.65Å; R143-V185 PolarHBondContact NH2-O 3.09Å; R143-V185 VanDerWaalsContact NH2-O 3.12Å
186E90.8Very high94Very high52 Ų5249 Ų4924%0.24327%0.272CS..THydrogen-bonded Turntrans-87.1-50.9-176.6-61.4166.998.100110.4Y66 T67 D184 F319Y66-E186 HydrophobicContact CD1-CG 4.27Å; T67-E186 WeakPolarHBondContact CA-OE1 3.41Å; T67-E186 WeakPolarHBondContact CB-OE1 3.35Å; T67-E186 PolarHBondContact N-OE1 3.33Å; D184-E186 VanDerWaalsContact C-N 3.33Å; D184-E186 WeakPolarHBondContact OD1-CA 3.38Å; D184-E186 PolarHBondContact OD1-N 2.95Å; E186-F319 HydrophobicContact CB-CE1 3.9Å; E186-F319 HydrophobicContact CB-CZ 4.13Å; E186-F319 VanDerWaalsContact O-CZ 3.25Å; E186-F319 WeakPolarHBondContact O-CZ 3.11Å
187E87.9Confident94Very high79 Ų7948.8 Ų48.837%0.36927%0.269SS..THydrogen-bonded Turntrans-85.1-25.8-169.8-32.3-164144.300113.6D184 F319 L322D184-E187 HydrophobicContact CB-CB 4.14Å; D184-E187 HydrophobicContact CB-CG 4.07Å; D184-E187 PolarHBondContact OD1-N 2.99Å; D184-E187 VanDerWaalsContact OD1-N 3.08Å; E187-F319 HydrophobicContact CB-CD1 3.73Å; E187-F319 HydrophobicContact CB-CE1 3.93Å; E187-F319 HydrophobicContact CB-CG 4.18Å; E187-F319 HydrophobicContact CG-CD1 3.38Å; E187-F319 HydrophobicContact CG-CE1 3.56Å; E187-F319 HydrophobicContact CG-CG 4.26Å; E187-L322 WeakPolarHBondContact OE1-CD1 3.43Å
188G92Very high94Very high10 Ų1049.1 Ų49.110%0.10327%0.27CS..BIsolated β-bridgetrans86.8-149.4-168.900000112.9A183 D184A183-G188 CarbonylContact C-O 3.56Å; A183-G188 WeakPolarHBondContact CA-O 3.47Å; D184-G188 PolarHBondContact N-O 3.25Å; D184-G188 WeakPolarHBondContact O-CA 3.21Å; D184-G188 PolarHBondContact O-N 3.03Å
189F93.2Very high94Very high33 Ų3348.5 Ų48.515%0.14527%0.265CS..SBendtrans-74.1139-177.6-67.6-60.8000111.8R143 L146 L158 L177 I179 A183 V191R143-F189 HydrophobicContact CB-CE2 4.18Å; R143-F189 HydrophobicContact CB-CZ 4.34Å; R143-F189 HydrophobicContact CG-CE2 4.03Å; R143-F189 HydrophobicContact CG-CZ 3.95Å; L146-F189 HydrophobicContact CB-CE1 4.3Å; L146-F189 HydrophobicContact CB-CE2 4.37Å; L146-F189 HydrophobicContact CB-CZ 3.65Å; L146-F189 HydrophobicContact CD1-CE2 3.87Å; L146-F189 HydrophobicContact CD1-CZ 4.01Å; L146-F189 HydrophobicContact CG-CZ 4.49Å; L158-F189 HydrophobicContact CD2-CD2 4.32Å; L177-F189 HydrophobicContact CD2-CB 3.98Å; I179-F189 HydrophobicContact CD1-CB 4.15Å; I179-F189 HydrophobicContact CD1-CD1 3.98Å; I179-F189 HydrophobicContact CD1-CD2 4.06Å; I179-F189 HydrophobicContact CD1-CE1 4.41Å; I179-F189 HydrophobicContact CD1-CE2 4.48Å; I179-F189 HydrophobicContact CD1-CG 3.8Å; I179-F189 HydrophobicContact CG2-CD1 3.58Å; I179-F189 HydrophobicContact CG2-CE1 3.47Å; I179-F189 VanDerWaalsContact CG2-CE1 3.47Å; I179-F189 HydrophobicContact CG2-CG 4.48Å; I179-F189 HydrophobicContact CG2-CZ 4.3Å; A183-F189 HydrophobicContact CB-CD1 3.67Å; A183-F189 HydrophobicContact CB-CE1 3.65Å; A183-F189 HydrophobicContact CB-CG 4.21Å; A183-F189 HydrophobicContact CB-CZ 4.17Å; F189-V191 PolarHBondContact O-N 2.73Å; F189-V191 VanDerWaalsContact O-N 3.14Å
190S91.1Very high94Very high62 Ų6248.5 Ų48.543%0.43427%0.266SS..  trans-65.6113.5171.9-172.90000110Q192S190-Q192 PolarHBondContact O-N 2.98Å; S190-Q192 VanDerWaalsContact O-N 3.16Å
191V91.3Very high94.1Very high74 Ų7444.7 Ų44.745%0.44825%0.249SC..  trans-83.492-178.9-176.20000109.4V168 L177 F189 P194V168-V191 WeakPolarHBondContact O-CG1 3.25Å; L177-V191 HydrophobicContact CD1-CG1 4.48Å; L177-V191 HydrophobicContact CD2-CG2 4.31Å; F189-V191 PolarHBondContact O-N 2.73Å; F189-V191 VanDerWaalsContact O-N 3.14Å; V191-P194 HydrophobicContact CG1-CB 4.11Å; V191-P194 HydrophobicContact CG1-CG 3.61Å
192Q89.9Confident94.3Very high123 Ų12340.1 Ų40.158%0.57524%0.238SC*.  trans-115.2118.9177.3-65.6-174.8-14.100110.3S190S190-Q192 PolarHBondContact O-N 2.98Å; S190-Q192 VanDerWaalsContact O-N 3.16Å
193A92Very high94.4Very high103 Ų10340.7 Ų40.785%0.85124%0.24SC*.SBendtrans45.256-179.700000113.7
194P96.5Very high94.5Very high44 Ų4440.7 Ų40.729%0.28624%0.24SC..  trans-65.9149.1175.132.3-36.8000110.5V168 A176 L177 V191 V196V168-P194 HydrophobicContact CG1-CB 3.74Å; A176-P194 WeakPolarHBondContact O-CA 3.37Å; L177-P194 HydrophobicContact CD1-CB 4.23Å; V191-P194 HydrophobicContact CG1-CB 4.11Å; V191-P194 HydrophobicContact CG1-CG 3.61Å; P194-V196 HydrophobicContact CB-CG2 3.85Å; P194-V196 HydrophobicContact CG-CG2 3.88Å
195L97.7Very high94.5Very high44 Ų4440.3 Ų40.323%0.2325%0.248CC..EExtended strand (participates in β ladder)trans-88.5119166.1179.563.2000107.8S175 A176 Y197 L218 V221 P398S175-L195 CarbonylContact C-O 3.37Å; S175-L195 WeakPolarHBondContact CA-O 3.37Å; S175-L195 VanDerWaalsContact CB-O 3.25Å; S175-L195 WeakPolarHBondContact CB-O 3.37Å; A176-L195 HydrophobicContact CB-CB 4.49Å; A176-L195 PolarHBondContact N-O 2.96Å; A176-L195 PolarHBondContact O-N 3.42Å; L195-Y197 HydrophobicContact CD1-CE2 4.16Å; L195-Y197 HydrophobicContact CD2-CE2 4.01Å; L195-Y197 HydrophobicContact CG-CE2 3.81Å; L195-L218 HydrophobicContact CD2-CD1 3.58Å; L195-L218 HydrophobicContact CG-CD1 3.98Å; L195-V221 HydrophobicContact CD2-CB 3.92Å; L195-V221 HydrophobicContact CD2-CG1 3.49Å; L195-V221 VanDerWaalsContact CD2-CG1 3.49Å; L195-P398 HydrophobicContact CD1-CB 3.63Å; L195-P398 HydrophobicContact CD1-CG 3.98Å
196V98.4Very high94.5Very high9 Ų943.6 Ų43.66%0.05527%0.269CS..EExtended strand (participates in β ladder)trans-131.6131.7-172.8-172.90000110.2T173 P194 P398 V399 F402T173-V196 HydrophobicContact CG2-CG1 3.76Å; P194-V196 HydrophobicContact CB-CG2 3.85Å; P194-V196 HydrophobicContact CG-CG2 3.88Å; V196-P398 CarbonylContact O-C 3.54Å; V196-P398 WeakPolarHBondContact O-CA 3.37Å; V196-P398 WeakPolarHBondContact O-CB 3.38Å; V196-V399 HydrophobicContact CB-CG2 4.11Å; V196-V399 HydrophobicContact CG1-CG2 4.06Å; V196-V399 PolarHBondContact O-N 3.39Å; V196-F402 HydrophobicContact CG1-CE2 4.15Å; V196-F402 HydrophobicContact CG1-CZ 3.84Å
197Y98.4Very high94.8Very high5 Ų542 Ų422%0.0226%0.261CS..EExtended strand (participates in β ladder)trans-112.4143175.3-68.7-85.2000111.1T173 V174 L195 F199 L214 C217 L218 E396 S397 P398T173-Y197 WeakPolarHBondContact CA-O 3.1Å; V174-Y197 PolarHBondContact N-O 3.02Å; V174-Y197 PolarHBondContact O-N 3.26Å; L195-Y197 HydrophobicContact CD1-CE2 4.16Å; L195-Y197 HydrophobicContact CD2-CE2 4.01Å; L195-Y197 HydrophobicContact CG-CE2 3.81Å; Y197-F199 PolarHBondContact O-N 2.9Å; Y197-L214 HydrophobicContact CD1-CD2 4.14Å; Y197-L214 HydrophobicContact CG-CD2 4.3Å; Y197-C217 HydrophobicContact CE1-CB 4.26Å; Y197-L218 HydrophobicContact CD2-CB 4.45Å; Y197-L218 HydrophobicContact CD2-CD1 4Å; Y197-L218 HydrophobicContact CE2-CB 4.12Å; Y197-L218 HydrophobicContact CE2-CD1 3.62Å; Y197-E396 VanDerWaalsContact CE1-O 3.25Å; Y197-E396 WeakPolarHBondContact CE1-O 3.4Å; Y197-S397 WeakPolarHBondContact CD1-O 3.25Å; Y197-S397 VanDerWaalsContact CE1-C 3.49Å; Y197-P398 HydrophobicContact CE1-CB 4.23Å
198H98.2Very high95.1Very high9 Ų940.2 Ų40.24%0.04225%0.254CS..EExtended strand (participates in β ladder)trans-74.4120.1172.8172.694.9000110.4L214 S379 V399 L431 I432H198-L214 WeakPolarHBondContact O-CD1 3.46Å; H198-S379 PolarHBondContact ND1-OG 3.05Å; H198-V399 HydrophobicContact CB-CG1 3.88Å; H198-L431 HydrophobicContact CB-CD1 3.67Å; H198-I432 PolarHBondContact CE1-O 2.86Å
199F98.3Very high95.2Very high10 Ų1043 Ų434%0.04426%0.264CS..  trans-107.4-35.5163.5176.2-107.1000111.8V163 G172 Y197 S201 T203 N207 L210 Y211 L214V163-F199 HydrophobicContact CB-CD1 3.79Å; V163-F199 HydrophobicContact CB-CE1 4.31Å; V163-F199 HydrophobicContact CG1-CB 4.05Å; V163-F199 HydrophobicContact CG1-CD1 3.58Å; V163-F199 HydrophobicContact CG1-CE1 4.28Å; V163-F199 HydrophobicContact CG1-CG 3.91Å; V163-F199 HydrophobicContact CG2-CD1 3.92Å; V163-F199 HydrophobicContact CG2-CE1 3.91Å; G172-F199 CarbonylContact O-C 3.59Å; G172-F199 WeakPolarHBondContact O-CA 3.43Å; G172-F199 WeakPolarHBondContact O-CB 3.49Å; G172-F199 PolarHBondContact O-N 2.81Å; Y197-F199 PolarHBondContact O-N 2.9Å; F199-S201 WeakPolarHBondContact CD1-O 3.27Å; F199-S201 WeakPolarHBondContact CE1-O 3.3Å; F199-S201 PolarHBondContact O-N 3Å; F199-T203 VanDerWaalsContact CE1-O 3.27Å; F199-T203 WeakPolarHBondContact CE1-O 3.36Å; F199-T203 WeakPolarHBondContact CZ-O 3.33Å; F199-N207 HydrophobicContact CE2-CB 4.31Å; F199-N207 WeakPolarHBondContact CE2-O 3.42Å; F199-L210 HydrophobicContact CD2-CB 4.49Å; F199-L210 HydrophobicContact CD2-CD2 3.96Å; F199-L210 HydrophobicContact CD2-CG 4.04Å; F199-L210 HydrophobicContact CE2-CB 4.37Å; F199-L210 HydrophobicContact CE2-CD2 4.33Å; F199-L210 HydrophobicContact CE2-CG 4.39Å; F199-Y211 HydrophobicContact CE2-CD2 4.49Å; F199-L214 HydrophobicContact CB-CD1 3.86Å; F199-L214 HydrophobicContact CD2-CD1 4.13Å; F199-L214 HydrophobicContact CG-CD1 4.5Å
200G96.8Very high95.4Very high4 Ų441.5 Ų41.54%0.04126%0.257CS..  trans85.6-9.4169.500000116.1G172 M433 D434G172-G200 PolarHBondContact O-N 3.36Å; G200-M433 CarbonylContact O-C 3.54Å; G200-D434 PolarHBondContact O-N 3.45Å
201S96.9Very high95.7Very high9 Ų939 Ų396%0.06324%0.238CC..SBendtrans-128.3156.4178.3173.20000112.7G172 F199 T203 T206G172-S201 VanDerWaalsContact CA-O 3.28Å; G172-S201 WeakPolarHBondContact CA-O 3.25Å; F199-S201 WeakPolarHBondContact CD1-O 3.27Å; F199-S201 WeakPolarHBondContact CE1-O 3.3Å; F199-S201 PolarHBondContact O-N 3Å; S201-T203 VanDerWaalsContact C-N 3.29Å; S201-T203 PolarHBondContact O-N 3.48Å; S201-T203 PolarHBondContact OG-N 3.11Å; S201-T203 PolarHBondContact OG-O 3.24Å; S201-T206 WeakPolarHBondContact OG-CB 3.16Å; S201-T206 PolarHBondContact OG-OG1 2.87Å
202T96.5Very high96Very high53 Ų5337.2 Ų37.233%0.32523%0.226SC..SBendtrans-84-0.8178.757.40000113.8G164 I435G164-T202 VanDerWaalsContact CA-O 3.24Å; G164-T202 WeakPolarHBondContact CA-O 2.88Å; T202-I435 HydrophobicContact CG2-CD1 3.86Å; T202-I435 HydrophobicContact CG2-CG1 3.97Å
203T95.1Very high96.3Very high65 Ų6534.1 Ų34.140%0.39921%0.211SC..SBendtrans-136.9131.3177.5179.30000111.6F199 S201 G205 T206F199-T203 VanDerWaalsContact CE1-O 3.27Å; F199-T203 WeakPolarHBondContact CE1-O 3.36Å; F199-T203 WeakPolarHBondContact CZ-O 3.33Å; S201-T203 VanDerWaalsContact C-N 3.29Å; S201-T203 PolarHBondContact O-N 3.48Å; S201-T203 PolarHBondContact OG-N 3.11Å; S201-T203 PolarHBondContact OG-O 3.24Å; T203-G205 PolarHBondContact O-N 3.32Å; T203-G205 VanDerWaalsContact O-N 3.11Å; T203-G205 PolarHBondContact OG1-N 3.17Å; T203-T206 WeakPolarHBondContact CG2-OG1 3.41Å; T203-T206 PolarHBondContact O-N 2.9Å; T203-T206 PolarHBondContact O-OG1 3.19Å
204P95.4Very high96.6Very high6 Ų629.3 Ų29.34%0.03917%0.171CC..G310 helixtrans-57.6-27.5177.1-2534.8000113.4V163 T206 N207 I208 Y211 C242 W244V163-P204 HydrophobicContact CG2-CG 3.87Å; P204-T206 PolarHBondContact O-N 3.06Å; P204-T206 VanDerWaalsContact O-N 3.16Å; P204-N207 CarbonylContact O-C 3.54Å; P204-N207 PolarHBondContact O-N 3.01Å; P204-I208 HydrophobicContact CB-CD1 4.33Å; P204-I208 PolarHBondContact O-N 3.44Å; P204-Y211 HydrophobicContact CB-CD1 4.07Å; P204-Y211 HydrophobicContact CB-CD2 3.86Å; P204-Y211 HydrophobicContact CB-CE1 4.3Å; P204-Y211 HydrophobicContact CB-CE2 4.11Å; P204-Y211 HydrophobicContact CB-CG 3.81Å; P204-Y211 HydrophobicContact CG-CD2 4.06Å; P204-Y211 HydrophobicContact CG-CE1 4.46Å; P204-Y211 HydrophobicContact CG-CE2 3.84Å; P204-Y211 HydrophobicContact CG-CG 4.45Å; P204-C242 HydrophobicContact CG-CB 4.37Å; P204-W244 HydrophobicContact CB-CE3 4.11Å; P204-W244 HydrophobicContact CB-CZ3 4.21Å
205G94.6Very high96.7Very high44 Ų4427.2 Ų27.245%0.45416%0.157SC..G310 helixtrans-62.9-19-178.600000114.5T203 N207T203-G205 PolarHBondContact O-N 3.32Å; T203-G205 VanDerWaalsContact O-N 3.11Å; T203-G205 PolarHBondContact OG1-N 3.17Å; G205-N207 VanDerWaalsContact C-N 3.27Å; G205-N207 PolarHBondContact O-N 3Å
206T94.4Very high96.8Very high78 Ų7826.9 Ų26.948%0.47916%0.158SC..G310 helixtrans-62.7-35.7175-580000111.9S201 T203 P204S201-T206 WeakPolarHBondContact OG-CB 3.16Å; S201-T206 PolarHBondContact OG-OG1 2.87Å; T203-T206 WeakPolarHBondContact CG2-OG1 3.41Å; T203-T206 PolarHBondContact O-N 2.9Å; T203-T206 PolarHBondContact O-OG1 3.19Å; P204-T206 PolarHBondContact O-N 3.06Å; P204-T206 VanDerWaalsContact O-N 3.16Å
207N95.1Very high96.7Very high17 Ų1726.7 Ų26.79%0.09116%0.158CC..  trans-158.281.8179-169.1-21000110.4F199 P204 G205 K209 L210 Y211 Q361F199-N207 HydrophobicContact CE2-CB 4.31Å; F199-N207 WeakPolarHBondContact CE2-O 3.42Å; P204-N207 CarbonylContact O-C 3.54Å; P204-N207 PolarHBondContact O-N 3.01Å; G205-N207 VanDerWaalsContact C-N 3.27Å; G205-N207 PolarHBondContact O-N 3Å; N207-K209 VanDerWaalsContact C-N 3.26Å; N207-K209 PolarHBondContact O-N 3.12Å; N207-L210 HydrophobicContact CB-CB 4.01Å; N207-L210 PolarHBondContact O-N 3.36Å; N207-L210 WeakPolarHBondContact OD1-CB 3.23Å; N207-L210 PolarHBondContact OD1-N 2.79Å; N207-Y211 PolarHBondContact O-N 2.81Å; N207-Q361 PolarHBondContact ND2-O 2.85Å
208I95.1Very high96.7Very high42 Ų4226.5 Ų26.522%0.21516%0.157CC..Hα-helixtrans-64.6-31.3-174.3-165.158.5000112.7P204 Y211 N212 W244 A252P204-I208 HydrophobicContact CB-CD1 4.33Å; P204-I208 PolarHBondContact O-N 3.44Å; I208-Y211 HydrophobicContact CD1-CD1 4.14Å; I208-Y211 PolarHBondContact O-N 2.87Å; I208-N212 WeakPolarHBondContact O-CB 3.46Å; I208-N212 PolarHBondContact O-N 3.24Å; I208-W244 HydrophobicContact CD1-CZ3 3.98Å; I208-A252 HydrophobicContact CD1-CB 4Å
209K94.6Very high96.7Very high70 Ų7026.2 Ų26.230%0.30416%0.156SC..Hα-helixtrans-66.8-44177.4-173.4173-179.2175.70111.1N207 K213 D358 Q361 L362N207-K209 VanDerWaalsContact C-N 3.26Å; N207-K209 PolarHBondContact O-N 3.12Å; K209-K213 VanDerWaalsContact O-CB 3.31Å; K209-K213 WeakPolarHBondContact O-CB 3.45Å; K209-K213 PolarHBondContact O-N 3.45Å; K209-D358 PolarHBondContact NZ-O 3.46Å; K209-Q361 HydrophobicContact CB-CB 4.34Å; K209-Q361 HydrophobicContact CD-CB 4.19Å; K209-L362 HydrophobicContact CD-CD1 4.35Å; K209-L362 HydrophobicContact CD-CG 4.21Å; K209-L362 HydrophobicContact CG-CD1 4.21Å; K209-L362 HydrophobicContact CG-CD2 4.25Å; K209-L362 HydrophobicContact CG-CG 4.15Å
210L96.2Very high96.7Very high1 Ų131.1 Ų31.11%0.00518%0.179CC..Hα-helixtrans-61.7-46.9172-179.261.3000111F199 N207 N212 K213 L214 I341 L362 V395F199-L210 HydrophobicContact CD2-CB 4.49Å; F199-L210 HydrophobicContact CD2-CD2 3.96Å; F199-L210 HydrophobicContact CD2-CG 4.04Å; F199-L210 HydrophobicContact CE2-CB 4.37Å; F199-L210 HydrophobicContact CE2-CD2 4.33Å; F199-L210 HydrophobicContact CE2-CG 4.39Å; N207-L210 HydrophobicContact CB-CB 4.01Å; N207-L210 PolarHBondContact O-N 3.36Å; N207-L210 WeakPolarHBondContact OD1-CB 3.23Å; N207-L210 PolarHBondContact OD1-N 2.79Å; L210-N212 VanDerWaalsContact C-N 3.34Å; L210-N212 PolarHBondContact O-N 3.19Å; L210-K213 PolarHBondContact O-N 2.91Å; L210-K213 VanDerWaalsContact O-N 3.13Å; L210-L214 HydrophobicContact CD1-CD1 4.14Å; L210-L214 HydrophobicContact CD1-CD2 4.16Å; L210-L214 HydrophobicContact CD1-CG 3.92Å; L210-L214 HydrophobicContact CG-CD1 3.99Å; L210-L214 HydrophobicContact CG-CG 4.2Å; L210-L214 VanDerWaalsContact O-CG 3.3Å; L210-L214 WeakPolarHBondContact O-CG 3.36Å; L210-L214 PolarHBondContact O-N 3.47Å; L210-I341 HydrophobicContact CD1-CD1 4.46Å; L210-I341 HydrophobicContact CD1-CG2 4Å; L210-I341 HydrophobicContact CD2-CB 4.05Å; L210-I341 HydrophobicContact CD2-CD1 4.4Å; L210-I341 HydrophobicContact CD2-CG2 3.79Å; L210-I341 HydrophobicContact CG-CG2 4.45Å; L210-L362 HydrophobicContact CB-CD2 3.9Å; L210-L362 HydrophobicContact CD1-CD2 3.97Å; L210-V395 HydrophobicContact CD1-CG1 3.73Å
211Y97.9Very high96.7Very high8 Ų833.3 Ų33.33%0.03119%0.191CC..Hα-helixtrans-55.7-47.2178.8-177.2-101.6000112.5L161 V163 V174 F199 P204 N207 I208 T215 A252L161-Y211 WeakPolarHBondContact CB-OH 3.39Å; L161-Y211 WeakPolarHBondContact O-CE2 3.37Å; L161-Y211 PolarHBondContact O-OH 2.92Å; V163-Y211 HydrophobicContact CG1-CD2 4.11Å; V163-Y211 HydrophobicContact CG1-CE2 3.93Å; V174-Y211 HydrophobicContact CG2-CD2 4.3Å; V174-Y211 HydrophobicContact CG2-CE2 4.17Å; F199-Y211 HydrophobicContact CE2-CD2 4.49Å; P204-Y211 HydrophobicContact CB-CD1 4.07Å; P204-Y211 HydrophobicContact CB-CD2 3.86Å; P204-Y211 HydrophobicContact CB-CE1 4.3Å; P204-Y211 HydrophobicContact CB-CE2 4.11Å; P204-Y211 HydrophobicContact CB-CG 3.81Å; P204-Y211 HydrophobicContact CG-CD2 4.06Å; P204-Y211 HydrophobicContact CG-CE1 4.46Å; P204-Y211 HydrophobicContact CG-CE2 3.84Å; P204-Y211 HydrophobicContact CG-CG 4.45Å; N207-Y211 PolarHBondContact O-N 2.81Å; I208-Y211 HydrophobicContact CD1-CD1 4.14Å; I208-Y211 PolarHBondContact O-N 2.87Å; Y211-T215 WeakPolarHBondContact O-CB 3.33Å; Y211-T215 PolarHBondContact O-N 2.93Å; Y211-T215 PolarHBondContact O-OG1 3.16Å; Y211-A252 HydrophobicContact CD1-CB 4.18Å; Y211-A252 HydrophobicContact CE1-CB 4.02Å
212N97.8Very high96.8Very high37 Ų3733.2 Ų33.220%0.19819%0.19CC..Hα-helixtrans-66.4-39.1177.1-75.2-13.2000112.2I208 L210 T215 S216 H255I208-N212 WeakPolarHBondContact O-CB 3.46Å; I208-N212 PolarHBondContact O-N 3.24Å; L210-N212 VanDerWaalsContact C-N 3.34Å; L210-N212 PolarHBondContact O-N 3.19Å; N212-T215 WeakPolarHBondContact O-CB 3.31Å; N212-T215 PolarHBondContact O-N 3.42Å; N212-S216 PolarHBondContact O-N 2.82Å; N212-S216 PolarHBondContact O-OG 3.03Å; N212-H255 PolarHBondContact O-NE2 3.29Å
213K97.3Very high96.8Very high59 Ų5932.1 Ų32.126%0.25719%0.185SC..Hα-helixtrans-63.3-46.7177179.458.4-179.9175.10111.7K209 L210 T215 S216 C217 E396K209-K213 VanDerWaalsContact O-CB 3.31Å; K209-K213 WeakPolarHBondContact O-CB 3.45Å; K209-K213 PolarHBondContact O-N 3.45Å; L210-K213 PolarHBondContact O-N 2.91Å; L210-K213 VanDerWaalsContact O-N 3.13Å; K213-T215 VanDerWaalsContact C-N 3.31Å; K213-T215 PolarHBondContact O-N 3Å; K213-S216 WeakPolarHBondContact O-CB 3.28Å; K213-S216 PolarHBondContact O-N 2.91Å; K213-S216 VanDerWaalsContact O-N 3.12Å; K213-C217 PolarHBondContact O-N 2.68Å; K213-C217 PolarHBondContact O-SG 3.11Å; K213-E396 VanDerWaalsContact CE-CG 3.45Å; K213-E396 WeakPolarHBondContact CE-OE1 3.12Å; K213-E396 VanDerWaalsContact CE-OE2 3.3Å; K213-E396 WeakPolarHBondContact CE-OE2 3.49Å; K213-E396 IonicContact NZ-OE1 3.74Å; K213-E396 PolarHBondContact NZ-OE1 3.03Å; K213-E396 IonicContact NZ-OE2 3.63Å; K213-E396 PolarHBondContact NZ-OE2 3.1Å
214L98Very high96.9Very high1 Ų133.5 Ų33.51%0.00519%0.186CC..Hα-helixtrans-63.4-38.2176.3-64.3179000111.9Y197 H198 F199 L210 S216 C217 L218 V395Y197-L214 HydrophobicContact CD1-CD2 4.14Å; Y197-L214 HydrophobicContact CG-CD2 4.3Å; H198-L214 WeakPolarHBondContact O-CD1 3.46Å; F199-L214 HydrophobicContact CB-CD1 3.86Å; F199-L214 HydrophobicContact CD2-CD1 4.13Å; F199-L214 HydrophobicContact CG-CD1 4.5Å; L210-L214 HydrophobicContact CD1-CD1 4.14Å; L210-L214 HydrophobicContact CD1-CD2 4.16Å; L210-L214 HydrophobicContact CD1-CG 3.92Å; L210-L214 HydrophobicContact CG-CD1 3.99Å; L210-L214 HydrophobicContact CG-CG 4.2Å; L210-L214 VanDerWaalsContact O-CG 3.3Å; L210-L214 WeakPolarHBondContact O-CG 3.36Å; L210-L214 PolarHBondContact O-N 3.47Å; L214-S216 VanDerWaalsContact C-N 3.29Å; L214-S216 PolarHBondContact O-N 2.87Å; L214-C217 PolarHBondContact O-N 3.36Å; L214-L218 WeakPolarHBondContact O-CB 3.31Å; L214-L218 PolarHBondContact O-N 3.38Å; L214-V395 WeakPolarHBondContact CD2-O 3.48Å
215T98.5Very high96.9Very high1 Ų137.4 Ų37.41%0.00620%0.2CC..Hα-helixtrans-59.1-42.3172.9-58.20000110.9L161 Y211 N212 K213 L218 A219 C256 F260L161-T215 HydrophobicContact CD1-CG2 4.06Å; Y211-T215 WeakPolarHBondContact O-CB 3.33Å; Y211-T215 PolarHBondContact O-N 2.93Å; Y211-T215 PolarHBondContact O-OG1 3.16Å; N212-T215 WeakPolarHBondContact O-CB 3.31Å; N212-T215 PolarHBondContact O-N 3.42Å; K213-T215 VanDerWaalsContact C-N 3.31Å; K213-T215 PolarHBondContact O-N 3Å; T215-L218 PolarHBondContact O-N 3.26Å; T215-A219 WeakPolarHBondContact O-CB 3.5Å; T215-A219 PolarHBondContact O-N 2.93Å; T215-C256 HydrophobicContact CG2-CB 4.2Å; T215-F260 HydrophobicContact CG2-CD2 4.28Å; T215-F260 HydrophobicContact CG2-CE2 3.84Å
216S98.4Very high97Very high36 Ų3635.9 Ų35.925%0.25218%0.183SC..Hα-helixtrans-65.7-46.6175.3-60.40000113.5N212 K213 L214 L218 A219 E220 H255N212-S216 PolarHBondContact O-N 2.82Å; N212-S216 PolarHBondContact O-OG 3.03Å; K213-S216 WeakPolarHBondContact O-CB 3.28Å; K213-S216 PolarHBondContact O-N 2.91Å; K213-S216 VanDerWaalsContact O-N 3.12Å; L214-S216 VanDerWaalsContact C-N 3.29Å; L214-S216 PolarHBondContact O-N 2.87Å; S216-L218 VanDerWaalsContact C-N 3.3Å; S216-L218 PolarHBondContact O-N 3.08Å; S216-A219 PolarHBondContact O-N 3.36Å; S216-E220 WeakPolarHBondContact O-CB 3.4Å; S216-E220 PolarHBondContact O-N 2.87Å; S216-H255 PolarHBondContact OG-CE1 3.3Å; S216-H255 VanDerWaalsContact OG-CE1 3.32Å; S216-H255 PolarHBondContact OG-NE2 3.17Å
217C97.6Very high97Very high6 Ų639.7 Ų39.74%0.04120%0.195CC..Hα-helixtrans-58.5-42.8175.3-64.10000111.4Y197 K213 L214 E220 V221Y197-C217 HydrophobicContact CE1-CB 4.26Å; K213-C217 PolarHBondContact O-N 2.68Å; K213-C217 PolarHBondContact O-SG 3.11Å; L214-C217 PolarHBondContact O-N 3.36Å; C217-E220 PolarHBondContact O-N 2.82Å; C217-V221 WeakPolarHBondContact O-CG2 3.37Å; C217-V221 PolarHBondContact O-N 2.81Å; C217-V221 VanDerWaalsContact O-N 3.08Å
218L98.2Very high97.1Very high0 Ų045 Ų450%023%0.228CC..Hα-helixtrans-64.8-42.6178.3-170.968.9000112.3V159 L161 V174 A176 L195 Y197 L214 T215 S216 E220 F222 F260V159-L218 HydrophobicContact CG1-CD2 3.67Å; L161-L218 HydrophobicContact CD2-CD2 4.01Å; V174-L218 HydrophobicContact CG1-CD2 3.69Å; A176-L218 HydrophobicContact CB-CD1 3.79Å; A176-L218 HydrophobicContact CB-CD2 4.39Å; A176-L218 HydrophobicContact CB-CG 4.4Å; L195-L218 HydrophobicContact CD2-CD1 3.58Å; L195-L218 HydrophobicContact CG-CD1 3.98Å; Y197-L218 HydrophobicContact CD2-CB 4.45Å; Y197-L218 HydrophobicContact CD2-CD1 4Å; Y197-L218 HydrophobicContact CE2-CB 4.12Å; Y197-L218 HydrophobicContact CE2-CD1 3.62Å; L214-L218 WeakPolarHBondContact O-CB 3.31Å; L214-L218 PolarHBondContact O-N 3.38Å; T215-L218 PolarHBondContact O-N 3.26Å; S216-L218 VanDerWaalsContact C-N 3.3Å; S216-L218 PolarHBondContact O-N 3.08Å; L218-E220 VanDerWaalsContact C-N 3.34Å; L218-F222 VanDerWaalsContact O-CB 3.3Å; L218-F222 WeakPolarHBondContact O-CB 3.12Å; L218-F222 PolarHBondContact O-N 2.87Å; L218-F260 HydrophobicContact CB-CZ 4.4Å; L218-F260 HydrophobicContact CD2-CZ 4.28Å; L218-F260 HydrophobicContact CG-CZ 4.24Å
219A98.5Very high97.2Very high3 Ų345.9 Ų45.93%0.02523%0.233CC..Hα-helixtrans-65.3-37.2177.900000112.8T215 S216 S223 T259 F260T215-A219 WeakPolarHBondContact O-CB 3.5Å; T215-A219 PolarHBondContact O-N 2.93Å; S216-A219 PolarHBondContact O-N 3.36Å; A219-S223 WeakPolarHBondContact O-CB 3.5Å; A219-S223 PolarHBondContact O-N 3.34Å; A219-S223 PolarHBondContact O-OG 2.84Å; A219-T259 HydrophobicContact CB-CG2 3.39Å; A219-F260 HydrophobicContact CB-CD1 3.93Å; A219-F260 HydrophobicContact CB-CD2 3.85Å; A219-F260 HydrophobicContact CB-CE1 3.81Å; A219-F260 HydrophobicContact CB-CE2 3.72Å; A219-F260 HydrophobicContact CB-CG 3.95Å; A219-F260 HydrophobicContact CB-CZ 3.7Å
220E97.8Very high97.2Very high113 Ų11346.9 Ų46.953%0.52824%0.235SC..Hα-helixtrans-64.2-53.3176-176177.5-179.500110.9S216 C217 L218 F222 S223 Q224S216-E220 WeakPolarHBondContact O-CB 3.4Å; S216-E220 PolarHBondContact O-N 2.87Å; C217-E220 PolarHBondContact O-N 2.82Å; L218-E220 VanDerWaalsContact C-N 3.34Å; E220-F222 VanDerWaalsContact C-N 3.29Å; E220-F222 PolarHBondContact O-N 2.55Å; E220-S223 PolarHBondContact O-N 2.86Å; E220-Q224 WeakPolarHBondContact O-CG 3.43Å; E220-Q224 PolarHBondContact O-N 3.45Å
221V97.4Very high97.2Very high50 Ų5053.6 Ų53.630%0.30326%0.264SS..Hα-helixtrans-62.1-37.6178.4177.50000111.5L195 C217 S223 Q224 R225L195-V221 HydrophobicContact CD2-CB 3.92Å; L195-V221 HydrophobicContact CD2-CG1 3.49Å; L195-V221 VanDerWaalsContact CD2-CG1 3.49Å; C217-V221 WeakPolarHBondContact O-CG2 3.37Å; C217-V221 PolarHBondContact O-N 2.81Å; C217-V221 VanDerWaalsContact O-N 3.08Å; V221-S223 VanDerWaalsContact C-N 3.33Å; V221-S223 PolarHBondContact O-N 2.99Å; V221-Q224 PolarHBondContact O-N 2.93Å; V221-R225 WeakPolarHBondContact O-CB 3.16Å; V221-R225 PolarHBondContact O-N 3.42Å
222F97.6Very high97Very high8 Ų853.2 Ų53.24%0.03526%0.263CS..Hα-helixtrans-61.4-41.6172.9172.9-108.2000112.2R127 T157 L218 E220 R225 C226 C237 F260R127-F222 HydrophobicContact CG-CE1 4.34Å; T157-F222 HydrophobicContact CG2-CD2 4.09Å; T157-F222 HydrophobicContact CG2-CE2 4.17Å; L218-F222 VanDerWaalsContact O-CB 3.3Å; L218-F222 WeakPolarHBondContact O-CB 3.12Å; L218-F222 PolarHBondContact O-N 2.87Å; E220-F222 VanDerWaalsContact C-N 3.29Å; E220-F222 PolarHBondContact O-N 2.55Å; F222-R225 WeakPolarHBondContact O-CB 3.29Å; F222-R225 PolarHBondContact O-N 2.73Å; F222-C226 VanDerWaalsContact CZ-SG 3.51Å; F222-C226 PolarHBondContact O-N 2.88Å; F222-C226 PolarHBondContact O-SG 3.2Å; F222-C237 HydrophobicContact CE1-CB 4.07Å; F222-C237 HydrophobicContact CE2-CB 3.94Å; F222-C237 HydrophobicContact CZ-CB 3.57Å; F222-F260 HydrophobicContact CB-CE1 4.42Å; F222-F260 HydrophobicContact CD1-CD1 4.29Å; F222-F260 HydrophobicContact CD1-CE1 4.25Å
223S97.1Very high97Very high30 Ų3052.1 Ų52.121%0.2126%0.258CS..Hα-helixtrans-67.7-44.7178.7-610000111.7R127 A219 E220 V221 R225 C226 E227R127-S223 PolarHBondContact NH2-OG 2.73Å; R127-S223 VanDerWaalsContact NH2-OG 3.08Å; A219-S223 WeakPolarHBondContact O-CB 3.5Å; A219-S223 PolarHBondContact O-N 3.34Å; A219-S223 PolarHBondContact O-OG 2.84Å; E220-S223 PolarHBondContact O-N 2.86Å; V221-S223 VanDerWaalsContact C-N 3.33Å; V221-S223 PolarHBondContact O-N 2.99Å; S223-R225 VanDerWaalsContact C-N 3.28Å; S223-R225 PolarHBondContact O-N 3.08Å; S223-C226 WeakPolarHBondContact O-CA 3.39Å; S223-C226 WeakPolarHBondContact O-CB 3.25Å; S223-C226 PolarHBondContact O-N 3.31Å; S223-E227 PolarHBondContact O-N 3.32Å; S223-E227 VanDerWaalsContact O-N 3.07Å
224Q96.9Very high97Very high93 Ų9349.5 Ų49.544%0.43525%0.247SC..Hα-helixtrans-56.7-42.1172.9-68.4172.61.400111.7E220 V221 C226 E227 V228E220-Q224 WeakPolarHBondContact O-CG 3.43Å; E220-Q224 PolarHBondContact O-N 3.45Å; V221-Q224 PolarHBondContact O-N 2.93Å; Q224-C226 VanDerWaalsContact C-N 3.31Å; Q224-C226 PolarHBondContact O-N 3.19Å; Q224-E227 WeakPolarHBondContact O-CB 3.33Å; Q224-E227 PolarHBondContact O-N 3.37Å; Q224-V228 PolarHBondContact O-N 2.93Å
225R95.8Very high97Very high89 Ų8949.5 Ų49.534%0.33625%0.247SC..Hα-helixtrans-61.4-39.1174.1179.4178.9176.2165.34112.2C178 V221 F222 S223 E227 V228 N229 A232C178-R225 PolarHBondContact SG-NH2 2.83Å; V221-R225 WeakPolarHBondContact O-CB 3.16Å; V221-R225 PolarHBondContact O-N 3.42Å; F222-R225 WeakPolarHBondContact O-CB 3.29Å; F222-R225 PolarHBondContact O-N 2.73Å; S223-R225 VanDerWaalsContact C-N 3.28Å; S223-R225 PolarHBondContact O-N 3.08Å; R225-E227 VanDerWaalsContact C-N 3.31Å; R225-V228 PolarHBondContact O-N 3.49Å; R225-N229 VanDerWaalsContact O-CB 3.29Å; R225-N229 WeakPolarHBondContact O-CB 3.42Å; R225-N229 PolarHBondContact O-N 2.91Å; R225-A232 HydrophobicContact CG-CB 4.49Å
226C96.1Very high97Very high12 Ų1249.5 Ų49.58%0.08125%0.247CC..Hα-helixtrans-67-31.9178.2-67.40000112.3F222 S223 Q224 V228 S233F222-C226 VanDerWaalsContact CZ-SG 3.51Å; F222-C226 PolarHBondContact O-N 2.88Å; F222-C226 PolarHBondContact O-SG 3.2Å; S223-C226 WeakPolarHBondContact O-CA 3.39Å; S223-C226 WeakPolarHBondContact O-CB 3.25Å; S223-C226 PolarHBondContact O-N 3.31Å; Q224-C226 VanDerWaalsContact C-N 3.31Å; Q224-C226 PolarHBondContact O-N 3.19Å; C226-V228 VanDerWaalsContact C-N 3.35Å; C226-S233 WeakPolarHBondContact O-CB 3.17Å
227E95.9Very high97Very high157 Ų15747.8 Ų47.873%0.73424%0.235SC*.Hα-helixtrans-64.7-39.4177.2-69.1169.4-173.300111.9S223 Q224 R225S223-E227 PolarHBondContact O-N 3.32Å; S223-E227 VanDerWaalsContact O-N 3.07Å; Q224-E227 WeakPolarHBondContact O-CB 3.33Å; Q224-E227 PolarHBondContact O-N 3.37Å; R225-E227 VanDerWaalsContact C-N 3.31Å
228V96.4Very high97.1Very high129 Ų12947.5 Ų47.578%0.78223%0.233SC*.Hα-helixtrans-95.3-14.1-177.2-57.60000114.1Q224 R225 C226Q224-V228 PolarHBondContact O-N 2.93Å; R225-V228 PolarHBondContact O-N 3.49Å; C226-V228 VanDerWaalsContact C-N 3.35Å
229N96.2Very high97.1Very high61 Ų6147.5 Ų47.533%0.32623%0.233SC..  trans-128.297.8-177.8-172.1-31.3000111.8R225 K231 A232 S233R225-N229 VanDerWaalsContact O-CB 3.29Å; R225-N229 WeakPolarHBondContact O-CB 3.42Å; R225-N229 PolarHBondContact O-N 2.91Å; N229-K231 VanDerWaalsContact C-N 3.31Å; N229-K231 PolarHBondContact O-N 3.29Å; N229-K231 PolarHBondContact OD1-N 2.75Å; N229-K231 VanDerWaalsContact OD1-N 3.11Å; N229-A232 HydrophobicContact CB-CB 4.02Å; N229-A232 PolarHBondContact O-N 2.83Å; N229-A232 VanDerWaalsContact O-N 3.17Å; N229-A232 PolarHBondContact OD1-N 2.85Å; N229-S233 PolarHBondContact O-N 3.01Å
230R95.6Very high97.1Very high91 Ų9147.4 Ų47.434%0.34323%0.232SC..Hα-helixtrans-57-39.6179.9-174.565.7-178.915414.7113.4A118 N122 E123 S233 V234A118-R230 PolarHBondContact O-NH2 3.3Å; N122-R230 VanDerWaalsContact CA-NH2 3.3Å; N122-R230 PolarHBondContact O-NH1 3.47Å; N122-R230 PolarHBondContact OD1-NE 2.76Å; N122-R230 PolarHBondContact OD1-NH1 2.57Å; E123-R230 PolarHBondContact O-NH1 2.89Å; E123-R230 PolarHBondContact O-NH2 2.87Å; R230-S233 PolarHBondContact O-N 2.86Å; R230-V234 HydrophobicContact CG-CG2 4.37Å; R230-V234 VanDerWaalsContact CZ-CG2 3.43Å; R230-V234 WeakPolarHBondContact O-CG2 3.5Å; R230-V234 PolarHBondContact O-N 2.95Å
231K95.2Very high97.1Very high141 Ų14142.1 Ų42.161%0.61321%0.208SC*.Hα-helixtrans-65.9-39.9-179.9-69.2-175179.4179.50111.7N229 G235N229-K231 VanDerWaalsContact C-N 3.31Å; N229-K231 PolarHBondContact O-N 3.29Å; N229-K231 PolarHBondContact OD1-N 2.75Å; N229-K231 VanDerWaalsContact OD1-N 3.11Å; K231-G235 PolarHBondContact O-N 2.98Å
232A94.6Very high97Very high1 Ų140.2 Ų40.21%0.00820%0.196CC..Hα-helixtrans-68.4-42.7174.400000111.2R225 N229 G235 G236R225-A232 HydrophobicContact CG-CB 4.49Å; N229-A232 HydrophobicContact CB-CB 4.02Å; N229-A232 PolarHBondContact O-N 2.83Å; N229-A232 VanDerWaalsContact O-N 3.17Å; N229-A232 PolarHBondContact OD1-N 2.85Å; A232-G235 PolarHBondContact O-N 2.91Å; A232-G236 PolarHBondContact O-N 3.45Å
233S97.6Very high97Very high13 Ų1340.7 Ų40.79%0.09120%0.204CC..Hα-helixtrans-58-53.1177.5-171.90000112.3G125 C226 N229 R230 G235 G236G125-S233 WeakPolarHBondContact CA-O 3.25Å; G125-S233 PolarHBondContact N-O 2.87Å; C226-S233 WeakPolarHBondContact O-CB 3.17Å; N229-S233 PolarHBondContact O-N 3.01Å; R230-S233 PolarHBondContact O-N 2.86Å; S233-G235 VanDerWaalsContact C-N 3.33Å; S233-G235 PolarHBondContact O-N 3.12Å; S233-G236 PolarHBondContact O-N 3.13Å
234V97.9Very high97Very high4 Ų443.4 Ų43.42%0.02421%0.209CC..Hα-helixtrans-69.1-31.5177175.60000111.8R115 E119 G125 R230 G236R115-V234 HydrophobicContact CB-CG1 4.41Å; R115-V234 VanDerWaalsContact CG-O 3.31Å; R115-V234 WeakPolarHBondContact CG-O 3.09Å; E119-V234 HydrophobicContact CB-CG1 4.02Å; G125-V234 WeakPolarHBondContact CA-O 3.48Å; R230-V234 HydrophobicContact CG-CG2 4.37Å; R230-V234 VanDerWaalsContact CZ-CG2 3.43Å; R230-V234 WeakPolarHBondContact O-CG2 3.5Å; R230-V234 PolarHBondContact O-N 2.95Å; V234-G236 PolarHBondContact O-N 2.79Å
235G97.7Very high96.9Very high1 Ų139.4 Ų39.41%0.0119%0.191CC..Hα-helixtrans-61.1-34.2174.600000112.9R115 K231 A232 S233R115-G235 PolarHBondContact NE-O 2.7Å; K231-G235 PolarHBondContact O-N 2.98Å; A232-G235 PolarHBondContact O-N 2.91Å; S233-G235 VanDerWaalsContact C-N 3.33Å; S233-G235 PolarHBondContact O-N 3.12Å
236G98.3Very high96.9Very high1 Ų141.7 Ų41.71%0.0120%0.204CC..  trans70.3-161.4-177.200000112.4P126 P156 T157 A232 S233 V234P126-G236 VanDerWaalsContact O-CA 3.32Å; P126-G236 WeakPolarHBondContact O-CA 3.38Å; P156-G236 WeakPolarHBondContact CA-O 3.4Å; T157-G236 PolarHBondContact N-O 3.41Å; A232-G236 PolarHBondContact O-N 3.45Å; S233-G236 PolarHBondContact O-N 3.13Å; V234-G236 PolarHBondContact O-N 2.79Å
237C98.8Very high97Very high1 Ų143.8 Ų43.81%0.00723%0.227CC..EExtended strand (participates in β ladder)trans-137.7156.2176.265.40000113P126 V128 T157 V159 F222P126-C237 PolarHBondContact O-N 2.82Å; V128-C237 PolarHBondContact N-O 3.48Å; T157-C237 CarbonylContact O-C 3.56Å; T157-C237 WeakPolarHBondContact O-CA 3.18Å; T157-C237 VanDerWaalsContact O-CB 3.26Å; T157-C237 WeakPolarHBondContact O-CB 3.3Å; V159-C237 HydrophobicContact CG2-CB 4.16Å; F222-C237 HydrophobicContact CE1-CB 4.07Å; F222-C237 HydrophobicContact CE2-CB 3.94Å; F222-C237 HydrophobicContact CZ-CB 3.57Å
238I98.9Very high97Very high0 Ų039.2 Ų39.20%021%0.213CC..EExtended strand (participates in β ladder)trans-120.4121.3169.3-66.1169.5000107.1V128 V130 C142 L145 L146 T157 V159V128-I238 HydrophobicContact CB-CG1 4.29Å; V128-I238 CarbonylContact O-C 3.58Å; V128-I238 WeakPolarHBondContact O-CA 3.36Å; V130-I238 HydrophobicContact CG2-CG2 4.16Å; C142-I238 HydrophobicContact CB-CG2 4.02Å; L145-I238 HydrophobicContact CB-CD1 3.52Å; L146-I238 HydrophobicContact CD2-CB 4.08Å; L146-I238 HydrophobicContact CD2-CD1 3.77Å; L146-I238 HydrophobicContact CD2-CG1 4.22Å; L146-I238 HydrophobicContact CG-CB 4.24Å; L146-I238 HydrophobicContact CG-CD1 3.74Å; L146-I238 HydrophobicContact CG-CG1 4.48Å; T157-I238 PolarHBondContact O-N 2.84Å; V159-I238 PolarHBondContact N-O 3.43Å
239I98.9Very high97Very high0 Ų033.2 Ų33.20%018%0.177CC..EExtended strand (participates in β ladder)trans-105110.1-173.4-52.1163.5000108.5V128 M129 V130 V159 L161 T241 F260 V262V128-I239 PolarHBondContact O-N 3.3Å; M129-I239 HydrophobicContact CB-CB 4.46Å; M129-I239 HydrophobicContact CB-CD1 4.47Å; M129-I239 HydrophobicContact CG-CB 4.35Å; M129-I239 HydrophobicContact CG-CG2 4.42Å; V130-I239 PolarHBondContact N-O 2.68Å; V159-I239 HydrophobicContact CB-CB 4.2Å; V159-I239 HydrophobicContact CB-CG1 3.86Å; V159-I239 HydrophobicContact CB-CG2 4.19Å; V159-I239 HydrophobicContact CG1-CB 4.37Å; V159-I239 HydrophobicContact CG1-CG1 4.14Å; V159-I239 HydrophobicContact CG1-CG2 3.84Å; V159-I239 HydrophobicContact CG2-CG1 4.26Å; V159-I239 CarbonylContact O-C 3.52Å; V159-I239 WeakPolarHBondContact O-CA 3.37Å; L161-I239 HydrophobicContact CD1-CG2 3.58Å; L161-I239 HydrophobicContact CG-CG2 3.92Å; I239-T241 HydrophobicContact CG2-CG2 4.35Å; I239-F260 HydrophobicContact CD1-CB 3.68Å; I239-F260 HydrophobicContact CD1-CD1 3.89Å; I239-F260 HydrophobicContact CD1-CD2 4.01Å; I239-F260 HydrophobicContact CD1-CG 3.58Å; I239-V262 HydrophobicContact CD1-CG1 3.85Å
240N98.7Very high97.1Very high1 Ų131.1 Ų31.11%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-84131.7169.3-173.636.9000109.4K138 S139 L158 V159 E160 L161K138-N240 WeakPolarHBondContact CB-OD1 3.39Å; S139-N240 PolarHBondContact OG-ND2 2.73Å; L158-N240 HydrophobicContact CD1-CB 4.49Å; V159-N240 PolarHBondContact O-N 2.88Å; E160-N240 PolarHBondContact OE1-ND2 3.36Å; E160-N240 PolarHBondContact OE2-ND2 3.03Å; L161-N240 WeakPolarHBondContact CB-O 3.49Å; L161-N240 PolarHBondContact N-O 3.45Å
241T98.1Very high97.2Very high1 Ų132.3 Ų32.31%0.00617%0.174CC..  trans-113.5160.7-179.673.60000112M129 V130 V131 K138 I239 L253M129-T241 HydrophobicContact CG-CG2 3.91Å; M129-T241 HydrophobicContact SD-CG2 4.31Å; V130-T241 PolarHBondContact O-OG1 2.76Å; V130-T241 VanDerWaalsContact O-OG1 3.08Å; V131-T241 HydrophobicContact CG1-CG2 4.12Å; K138-T241 WeakPolarHBondContact CE-O 3.25Å; I239-T241 HydrophobicContact CG2-CG2 4.35Å; T241-L253 HydrophobicContact CG2-CD2 3.89Å
242C95.7Very high97.4Very high10 Ų1025.9 Ų25.97%0.06815%0.148CC..  trans-66165.7168.975.60000112D162 P204 W244D162-C242 HydrophobicContact CB-CB 4.3Å; P204-C242 HydrophobicContact CG-CB 4.37Å; C242-W244 VanDerWaalsContact C-N 3.26Å; C242-W244 PolarHBondContact O-N 3.25Å
243G96.3Very high97.5Very high18 Ų1826.1 Ų26.119%0.18615%0.148CC..SBendtrans-79.810.3179.700000116.2V245G243-V245 PolarHBondContact O-N 3.35Å
244W96.5Very high97.6Very high87 Ų8727.2 Ų27.233%0.3316%0.155SC..  trans-9093.9-176.7-172.227.3000111.6P204 I208 C242 K246 G249P204-W244 HydrophobicContact CB-CE3 4.11Å; P204-W244 HydrophobicContact CB-CZ3 4.21Å; I208-W244 HydrophobicContact CD1-CZ3 3.98Å; C242-W244 VanDerWaalsContact C-N 3.26Å; C242-W244 PolarHBondContact O-N 3.25Å; W244-K246 PolarHBondContact NE1-O 2.95Å; W244-G249 VanDerWaalsContact CD2-CA 3.48Å; W244-G249 CarbonylContact O-C 3.53Å; W244-G249 VanDerWaalsContact O-C 3.27Å; W244-G249 VanDerWaalsContact O-CA 3.25Å; W244-G249 WeakPolarHBondContact O-CA 3.29Å
245V96.7Very high97.6Very high10 Ų1029.7 Ų29.76%0.06117%0.166CC..  trans-103.27.6-169.1-58.60000115.1G132 G243 L253 L273G132-V245 VanDerWaalsContact C-CG1 3.48Å; G132-V245 WeakPolarHBondContact O-CG1 3.33Å; G243-V245 PolarHBondContact O-N 3.35Å; V245-L253 HydrophobicContact CG1-CD1 4.38Å; V245-L273 HydrophobicContact CB-CD1 4.37Å; V245-L273 HydrophobicContact CB-CD2 3.97Å; V245-L273 HydrophobicContact CG1-CD2 3.72Å
246K95.6Very high97.7Very high137 Ų13729.8 Ų29.860%0.59617%0.166SC*.SBendtrans-124.8154.2-175.1-64.7-177.5-179.5175.50111.3W244 S248 G249W244-K246 PolarHBondContact NE1-O 2.95Å; K246-S248 PolarHBondContact O-N 3.28Å; K246-G249 PolarHBondContact O-N 3.37Å
247G96.7Very high97.7Very high56 Ų5630 Ų3058%0.57717%0.167SC*.THydrogen-bonded Turntrans56.7-128.6174.300000112G249 Y250 Q251G247-G249 PolarHBondContact O-N 3Å; G247-Y250 WeakPolarHBondContact O-CB 3.39Å; G247-Y250 PolarHBondContact O-N 3.22Å; G247-Q251 PolarHBondContact O-N 3.29Å
248S96.2Very high97.6Very high61 Ų6134.2 Ų34.243%0.42720%0.197SC..Hα-helixtrans-61-26.7177.6-44.20000113.4K246 Q251 A252K246-S248 PolarHBondContact O-N 3.28Å; S248-Q251 PolarHBondContact O-N 3.5Å; S248-A252 PolarHBondContact O-N 2.92Å
249G96.8Very high97.6Very high3 Ų335.9 Ų35.93%0.03121%0.208CC..Hα-helixtrans-64.8-42.3172.500000112.4W244 K246 G247 Q251 A252 L253W244-G249 VanDerWaalsContact CD2-CA 3.48Å; W244-G249 CarbonylContact O-C 3.53Å; W244-G249 VanDerWaalsContact O-C 3.27Å; W244-G249 VanDerWaalsContact O-CA 3.25Å; W244-G249 WeakPolarHBondContact O-CA 3.29Å; K246-G249 PolarHBondContact O-N 3.37Å; G247-G249 PolarHBondContact O-N 3Å; G249-Q251 PolarHBondContact O-N 2.9Å; G249-A252 WeakPolarHBondContact O-CB 3.41Å; G249-A252 PolarHBondContact O-N 3.22Å; G249-L253 WeakPolarHBondContact O-CG 3.2Å; G249-L253 PolarHBondContact O-N 3.13Å; G249-L253 VanDerWaalsContact O-N 3.09Å
250Y98.3Very high97.6Very high17 Ų1735.9 Ų35.97%0.06721%0.208CC..Hα-helixtrans-61.3-44.4172.8177.5-101.1000111.6G247 A252 L253 V254 L273 E276 L277 D280G247-Y250 WeakPolarHBondContact O-CB 3.39Å; G247-Y250 PolarHBondContact O-N 3.22Å; Y250-A252 VanDerWaalsContact C-N 3.27Å; Y250-A252 PolarHBondContact O-N 2.8Å; Y250-L253 WeakPolarHBondContact O-CB 3.41Å; Y250-L253 PolarHBondContact O-N 3.37Å; Y250-V254 HydrophobicContact CD1-CG2 4.26Å; Y250-V254 HydrophobicContact CE1-CG2 3.78Å; Y250-V254 HydrophobicContact CE2-CG2 4.41Å; Y250-V254 PolarHBondContact O-N 3.12Å; Y250-L273 HydrophobicContact CD2-CD1 3.77Å; Y250-L273 HydrophobicContact CE2-CD1 3.96Å; Y250-E276 HydrophobicContact CE2-CB 3.85Å; Y250-E276 VanDerWaalsContact OH-C 3.27Å; Y250-E276 PolarHBondContact OH-O 3.27Å; Y250-L277 HydrophobicContact CE2-CD2 3.71Å; Y250-L277 HydrophobicContact CE2-CG 4.03Å; Y250-D280 WeakPolarHBondContact OH-CB 3.32Å; Y250-D280 VanDerWaalsContact OH-CG 3.27Å; Y250-D280 PolarHBondContact OH-OD2 3.22Å
251Q98.1Very high97.5Very high115 Ų11541.3 Ų41.354%0.53723%0.233SC..Hα-helixtrans-61.1-36.4176.8-61.7-58.3-33.900112.1G247 S248 G249 V254 H255G247-Q251 PolarHBondContact O-N 3.29Å; S248-Q251 PolarHBondContact O-N 3.5Å; G249-Q251 PolarHBondContact O-N 2.9Å; Q251-V254 PolarHBondContact O-N 2.81Å; Q251-H255 WeakPolarHBondContact O-CB 3.41Å; Q251-H255 PolarHBondContact O-N 3.45Å
252A98.2Very high97.6Very high7 Ų741.3 Ų41.36%0.05823%0.233CC..Hα-helixtrans-66.5-34.9173.700000112.8I208 Y211 S248 G249 Y250 H255 C256I208-A252 HydrophobicContact CD1-CB 4Å; Y211-A252 HydrophobicContact CD1-CB 4.18Å; Y211-A252 HydrophobicContact CE1-CB 4.02Å; S248-A252 PolarHBondContact O-N 2.92Å; G249-A252 WeakPolarHBondContact O-CB 3.41Å; G249-A252 PolarHBondContact O-N 3.22Å; Y250-A252 VanDerWaalsContact C-N 3.27Å; Y250-A252 PolarHBondContact O-N 2.8Å; A252-H255 PolarHBondContact O-N 3.23Å; A252-C256 VanDerWaalsContact O-CB 3.29Å; A252-C256 WeakPolarHBondContact O-CB 3.43Å; A252-C256 PolarHBondContact O-N 3.16Å
253L98.6Very high97.7Very high5 Ų542 Ų423%0.02624%0.236CC..Hα-helixtrans-64.5-43.3172.8-62.5178.4000111.6V131 T241 V245 G249 Y250 C256 A257 L273V131-L253 HydrophobicContact CB-CD1 4.32Å; V131-L253 HydrophobicContact CG1-CD1 4.28Å; V131-L253 HydrophobicContact CG1-CD2 3.86Å; T241-L253 HydrophobicContact CG2-CD2 3.89Å; V245-L253 HydrophobicContact CG1-CD1 4.38Å; G249-L253 WeakPolarHBondContact O-CG 3.2Å; G249-L253 PolarHBondContact O-N 3.13Å; G249-L253 VanDerWaalsContact O-N 3.09Å; Y250-L253 WeakPolarHBondContact O-CB 3.41Å; Y250-L253 PolarHBondContact O-N 3.37Å; L253-C256 PolarHBondContact O-N 3.11Å; L253-A257 WeakPolarHBondContact O-CB 3.43Å; L253-A257 PolarHBondContact O-N 3.47Å; L253-L273 HydrophobicContact CD1-CD1 4.18Å; L253-L273 HydrophobicContact CD1-CD2 4.45Å
254V98.5Very high97.8Very high37 Ų3741.5 Ų41.522%0.22423%0.229CC..Hα-helixtrans-65.1-43.5176.4176.90000110.9Y250 Q251 C256 A257 S258 L277Y250-V254 HydrophobicContact CD1-CG2 4.26Å; Y250-V254 HydrophobicContact CE1-CG2 3.78Å; Y250-V254 HydrophobicContact CE2-CG2 4.41Å; Y250-V254 PolarHBondContact O-N 3.12Å; Q251-V254 PolarHBondContact O-N 2.81Å; V254-C256 PolarHBondContact O-N 3.32Å; V254-A257 PolarHBondContact O-N 2.85Å; V254-S258 PolarHBondContact O-N 3.12Å; V254-L277 HydrophobicContact CG2-CD2 4.41Å
255H98.5Very high97.9Very high56 Ų5637.4 Ų37.426%0.25921%0.214SC..Hα-helixtrans-58.2-46.3173.9177.569.5000111.8N212 S216 Q251 A252 S258 T259N212-H255 PolarHBondContact O-NE2 3.29Å; S216-H255 PolarHBondContact OG-CE1 3.3Å; S216-H255 VanDerWaalsContact OG-CE1 3.32Å; S216-H255 PolarHBondContact OG-NE2 3.17Å; Q251-H255 WeakPolarHBondContact O-CB 3.41Å; Q251-H255 PolarHBondContact O-N 3.45Å; A252-H255 PolarHBondContact O-N 3.23Å; H255-S258 PolarHBondContact O-N 2.91Å; H255-T259 PolarHBondContact CE1-OG1 2.91Å; H255-T259 VanDerWaalsContact CE1-OG1 3.28Å; H255-T259 PolarHBondContact NE2-OG1 3.46Å; H255-T259 VanDerWaalsContact O-CB 3.25Å; H255-T259 WeakPolarHBondContact O-CB 3.47Å; H255-T259 PolarHBondContact O-N 2.79Å; H255-T259 PolarHBondContact O-OG1 2.97Å
256C98.6Very high98Very high3 Ų337 Ų372%0.0221%0.211CC..Hα-helixtrans-59.2-49.4175.7179.20000111.4M129 L161 T215 A252 L253 V254 S258 T259 F260M129-C256 HydrophobicContact SD-CB 4.08Å; L161-C256 HydrophobicContact CD1-CB 4.34Å; L161-C256 WeakPolarHBondContact CD1-SG 3.16Å; T215-C256 HydrophobicContact CG2-CB 4.2Å; A252-C256 VanDerWaalsContact O-CB 3.29Å; A252-C256 WeakPolarHBondContact O-CB 3.43Å; A252-C256 PolarHBondContact O-N 3.16Å; L253-C256 PolarHBondContact O-N 3.11Å; V254-C256 PolarHBondContact O-N 3.32Å; C256-S258 VanDerWaalsContact C-N 3.32Å; C256-S258 PolarHBondContact O-N 2.96Å; C256-T259 PolarHBondContact O-N 2.66Å; C256-F260 WeakPolarHBondContact O-CB 3.49Å; C256-F260 PolarHBondContact O-N 3.16Å
257A98.6Very high98.2Very high4 Ų430.4 Ų30.43%0.03318%0.183CC..Hα-helixtrans-56.3-45.7178.700000112.2M129 L253 V254 Q261 V262 L281M129-A257 HydrophobicContact CE-CB 3.85Å; M129-A257 HydrophobicContact SD-CB 4.38Å; L253-A257 WeakPolarHBondContact O-CB 3.43Å; L253-A257 PolarHBondContact O-N 3.47Å; V254-A257 PolarHBondContact O-N 2.85Å; A257-Q261 WeakPolarHBondContact O-CA 3.33Å; A257-Q261 PolarHBondContact O-N 3.01Å; A257-Q261 VanDerWaalsContact O-N 3.1Å; A257-V262 HydrophobicContact CB-CG2 3.58Å; A257-V262 PolarHBondContact O-N 3.4Å; A257-L281 HydrophobicContact CB-CD2 3.65Å
258S98.4Very high98.3Very high90 Ų9027.8 Ų27.863%0.62916%0.155SC*.Hα-helixtrans-66.6-49.3177.8-174.80000112V254 H255 C256 Q261V254-S258 PolarHBondContact O-N 3.12Å; H255-S258 PolarHBondContact O-N 2.91Å; C256-S258 VanDerWaalsContact C-N 3.32Å; C256-S258 PolarHBondContact O-N 2.96Å; S258-Q261 PolarHBondContact O-N 2.74Å; S258-Q261 VanDerWaalsContact O-N 3.12Å
259T98.1Very high98.2Very high36 Ų3628.1 Ų28.122%0.22115%0.152CC..Hα-helixtrans-65.6-44.8-174.9-58.60000111.5A219 H255 C256 Q261A219-T259 HydrophobicContact CB-CG2 3.39Å; H255-T259 PolarHBondContact CE1-OG1 2.91Å; H255-T259 VanDerWaalsContact CE1-OG1 3.28Å; H255-T259 PolarHBondContact NE2-OG1 3.46Å; H255-T259 VanDerWaalsContact O-CB 3.25Å; H255-T259 WeakPolarHBondContact O-CB 3.47Å; H255-T259 PolarHBondContact O-N 2.79Å; H255-T259 PolarHBondContact O-OG1 2.97Å; C256-T259 PolarHBondContact O-N 2.66Å; T259-Q261 PolarHBondContact O-N 3.5Å
260F98.4Very high98.3Very high0 Ų030 Ų300%016%0.16CC..Hα-helixtrans-77.9-6.6175.7-83.8-86.3000113R127 V159 T215 L218 A219 F222 I239 C256 V262R127-F260 WeakPolarHBondContact CD-O 3.23Å; R127-F260 PolarHBondContact NH1-O 2.92Å; V159-F260 HydrophobicContact CG1-CE1 4.2Å; V159-F260 HydrophobicContact CG1-CE2 4.25Å; V159-F260 HydrophobicContact CG1-CZ 3.69Å; V159-F260 HydrophobicContact CG2-CE1 3.95Å; V159-F260 HydrophobicContact CG2-CZ 4.24Å; T215-F260 HydrophobicContact CG2-CD2 4.28Å; T215-F260 HydrophobicContact CG2-CE2 3.84Å; L218-F260 HydrophobicContact CB-CZ 4.4Å; L218-F260 HydrophobicContact CD2-CZ 4.28Å; L218-F260 HydrophobicContact CG-CZ 4.24Å; A219-F260 HydrophobicContact CB-CD1 3.93Å; A219-F260 HydrophobicContact CB-CD2 3.85Å; A219-F260 HydrophobicContact CB-CE1 3.81Å; A219-F260 HydrophobicContact CB-CE2 3.72Å; A219-F260 HydrophobicContact CB-CG 3.95Å; A219-F260 HydrophobicContact CB-CZ 3.7Å; F222-F260 HydrophobicContact CB-CE1 4.42Å; F222-F260 HydrophobicContact CD1-CD1 4.29Å; F222-F260 HydrophobicContact CD1-CE1 4.25Å; I239-F260 HydrophobicContact CD1-CB 3.68Å; I239-F260 HydrophobicContact CD1-CD1 3.89Å; I239-F260 HydrophobicContact CD1-CD2 4.01Å; I239-F260 HydrophobicContact CD1-CG 3.58Å; C256-F260 WeakPolarHBondContact O-CB 3.49Å; C256-F260 PolarHBondContact O-N 3.16Å; F260-V262 VanDerWaalsContact C-N 3.34Å; F260-V262 HydrophobicContact CB-CG1 3.81Å; F260-V262 PolarHBondContact O-N 3.41Å
261Q97.9Very high98.2Very high114 Ų11436 Ų3653%0.53319%0.189SC..THydrogen-bonded Turntrans50.455.1-175.4-56.5175.96.900111.2A257 S258 T259A257-Q261 WeakPolarHBondContact O-CA 3.33Å; A257-Q261 PolarHBondContact O-N 3.01Å; A257-Q261 VanDerWaalsContact O-N 3.1Å; S258-Q261 PolarHBondContact O-N 2.74Å; S258-Q261 VanDerWaalsContact O-N 3.12Å; T259-Q261 PolarHBondContact O-N 3.5Å
262V98.5Very high98.2Very high1 Ų138.4 Ų38.41%0.00619%0.193CC..  trans-67.8138.6-173.3-57.40000111.1R127 M129 I239 A257 F260 V265 V285R127-V262 WeakPolarHBondContact O-CA 3.35Å; M129-V262 HydrophobicContact CB-CG1 4.1Å; I239-V262 HydrophobicContact CD1-CG1 3.85Å; A257-V262 HydrophobicContact CB-CG2 3.58Å; A257-V262 PolarHBondContact O-N 3.4Å; F260-V262 VanDerWaalsContact C-N 3.34Å; F260-V262 HydrophobicContact CB-CG1 3.81Å; F260-V262 PolarHBondContact O-N 3.41Å; V262-V265 HydrophobicContact CG2-CG2 3.89Å; V262-V285 HydrophobicContact CG2-CG1 4.13Å; V262-V285 WeakPolarHBondContact O-CG2 3.49Å
263D98.6Very high98.2Very high25 Ų2538 Ų3813%0.13419%0.19CC..SBendtrans-95.1-28.6178.2-50.5-76.3000111.3M114 R124 P126 R127 R286M114-D263 HydrophobicContact CE-CB 3.89Å; R124-D263 IonicContact CZ-OD1 3.84Å; R124-D263 IonicContact NH2-OD1 3.86Å; R124-D263 PolarHBondContact NH2-OD1 3.28Å; R124-D263 IonicContact NH2-OD2 3.34Å; P126-D263 WeakPolarHBondContact CA-OD2 3.49Å; R127-D263 PolarHBondContact N-OD2 2.95Å; R127-D263 PolarHBondContact O-N 3.36Å; D263-R286 PolarHBondContact O-N 3.48Å
264V98.9Very high98.2Very high8 Ų840 Ų405%0.04820%0.197CC..EExtended strand (participates in β ladder)trans-136.4134-175.7-174.90000110.2L111 M114 R127 V128 M129 L266 R286L111-V264 HydrophobicContact CD2-CG2 4.08Å; M114-V264 HydrophobicContact CE-CG2 4Å; M114-V264 HydrophobicContact SD-CG2 3.93Å; R127-V264 PolarHBondContact O-N 3.3Å; V128-V264 CarbonylContact C-O 3.54Å; V128-V264 WeakPolarHBondContact CA-O 3.4Å; V128-V264 HydrophobicContact CG1-CB 4.26Å; V128-V264 HydrophobicContact CG1-CG1 4.34Å; V128-V264 HydrophobicContact CG2-CB 4.31Å; M129-V264 PolarHBondContact N-O 2.89Å; V264-L266 HydrophobicContact CG1-CD2 3.77Å; V264-L266 HydrophobicContact CG1-CG 4.38Å; V264-R286 CarbonylContact C-O 3.56Å; V264-R286 WeakPolarHBondContact CA-O 3.49Å; V264-R286 HydrophobicContact CG2-CB 4.35Å
265V98.9Very high98.2Very high0 Ų042.7 Ų42.70%021%0.211CC..EExtended strand (participates in β ladder)trans-119.4118.8171.6-1770000109.4M129 V131 V262 V267 L277 L281 V285 R286 V287 V288M129-V265 HydrophobicContact CB-CG2 4.38Å; M129-V265 HydrophobicContact CE-CB 4.49Å; M129-V265 HydrophobicContact CE-CG1 3.84Å; M129-V265 HydrophobicContact CE-CG2 3.79Å; M129-V265 CarbonylContact O-C 3.46Å; M129-V265 WeakPolarHBondContact O-CA 3.49Å; V131-V265 HydrophobicContact CG1-CG1 4.34Å; V131-V265 HydrophobicContact CG2-CG1 3.76Å; V262-V265 HydrophobicContact CG2-CG2 3.89Å; V265-V267 HydrophobicContact CG1-CG2 4.19Å; V265-L277 HydrophobicContact CG1-CD1 4.07Å; V265-L281 HydrophobicContact CG2-CD1 3.76Å; V265-V285 HydrophobicContact CG2-CG1 3.79Å; V265-R286 PolarHBondContact N-O 3.39Å; V265-V287 HydrophobicContact CB-CG1 4.48Å; V265-V287 HydrophobicContact CB-CG2 4.45Å; V265-V287 WeakPolarHBondContact O-CA 3.39Å; V265-V288 PolarHBondContact O-N 3.21Å
266L98.9Very high98.2Very high1 Ų141.9 Ų41.91%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-97110.1175.7-54.5-177000108.7T107 V128 M129 V130 V131 L145 V264 V288 L290T107-L266 HydrophobicContact CG2-CD1 3.78Å; T107-L266 HydrophobicContact CG2-CD2 3.96Å; V128-L266 HydrophobicContact CG1-CD1 3.89Å; V128-L266 HydrophobicContact CG1-CG 3.9Å; M129-L266 PolarHBondContact O-N 2.91Å; V130-L266 WeakPolarHBondContact CA-O 3.47Å; V130-L266 HydrophobicContact CG2-CB 4.39Å; V130-L266 HydrophobicContact CG2-CD1 4.23Å; V131-L266 PolarHBondContact N-O 3.14Å; L145-L266 HydrophobicContact CD1-CD1 3.65Å; V264-L266 HydrophobicContact CG1-CD2 3.77Å; V264-L266 HydrophobicContact CG1-CG 4.38Å; L266-V288 HydrophobicContact CD2-CB 3.98Å; L266-V288 HydrophobicContact CD2-CG2 4.41Å; L266-L290 HydrophobicContact CB-CD1 4.26Å; L266-L290 HydrophobicContact CD1-CD1 4.27Å; L266-L290 HydrophobicContact CD2-CD1 4.27Å
267V98.8Very high98.2Very high0 Ų041.7 Ų41.70%021%0.206CC..EExtended strand (participates in β ladder)trans-95.5116.9177.6-173.10000108.5V131 V265 H270 L273 Y274 L277 V287 V288 L289 L290V131-V267 HydrophobicContact CG2-CB 4.19Å; V131-V267 HydrophobicContact CG2-CG1 4.32Å; V131-V267 HydrophobicContact CG2-CG2 3.72Å; V131-V267 WeakPolarHBondContact O-CA 3.45Å; V265-V267 HydrophobicContact CG1-CG2 4.19Å; V267-H270 HydrophobicContact CG1-CB 4.42Å; V267-L273 HydrophobicContact CG1-CB 4.28Å; V267-L273 HydrophobicContact CG1-CD2 4.14Å; V267-L273 HydrophobicContact CG1-CG 4.23Å; V267-Y274 HydrophobicContact CG2-CD2 4.4Å; V267-L277 HydrophobicContact CG2-CD1 4.05Å; V267-V287 HydrophobicContact CG2-CG1 3.82Å; V267-V288 PolarHBondContact N-O 3.34Å; V267-L289 HydrophobicContact CB-CD1 4.28Å; V267-L289 HydrophobicContact CG1-CD1 4.19Å; V267-L289 WeakPolarHBondContact O-CA 3.29Å; V267-L290 PolarHBondContact O-N 3.46Å
268L98.4Very high98.1Very high0 Ų047 Ų470%023%0.228CC..EExtended strand (participates in β ladder)trans-93.4120.2178-59-166.9000110.9V130 V131 V136 K138 V141 H270 L290V130-L268 HydrophobicContact CG1-CD1 4.1Å; V130-L268 HydrophobicContact CG1-CG 4.17Å; V131-L268 PolarHBondContact O-N 2.78Å; V136-L268 HydrophobicContact CB-CB 4.03Å; V136-L268 HydrophobicContact CG2-CB 3.59Å; V136-L268 HydrophobicContact CG2-CD1 4.22Å; V136-L268 HydrophobicContact CG2-CG 4.49Å; K138-L268 HydrophobicContact CB-CD1 4.31Å; K138-L268 HydrophobicContact CG-CD1 3.87Å; K138-L268 HydrophobicContact CG-CG 4.46Å; V141-L268 HydrophobicContact CB-CD1 4.32Å; V141-L268 HydrophobicContact CG2-CD1 3.89Å; V141-L268 HydrophobicContact CG2-CD2 4.46Å; L268-H270 VanDerWaalsContact C-N 3.33Å; L268-H270 PolarHBondContact O-N 3.08Å; L268-L290 WeakPolarHBondContact CA-O 3.15Å; L268-L290 HydrophobicContact CD2-CB 3.65Å; L268-L290 HydrophobicContact CD2-CD1 4.01Å; L268-L290 HydrophobicContact CD2-CG 4.39Å
269D95.3Very high98.1Very high69 Ų6951 Ų5137%0.36923%0.229SC..SBendtrans50.241.3167.3-160.746.1000115.2V136 L290 K292V136-D269 HydrophobicContact CB-CB 4.32Å; V136-D269 HydrophobicContact CG1-CB 4.01Å; D269-L290 PolarHBondContact N-O 2.75Å; D269-K292 HydrophobicContact CB-CB 3.86Å; D269-K292 HydrophobicContact CB-CD 4.32Å; D269-K292 HydrophobicContact CB-CG 4.02Å; D269-K292 WeakPolarHBondContact OD2-CD 3.41Å; D269-K292 WeakPolarHBondContact OD2-CE 3.24Å; D269-K292 WeakPolarHBondContact OD2-CG 3.27Å; D269-K292 IonicContact OD2-NZ 2.73Å; D269-K292 PolarHBondContact OD2-NZ 2.81Å
270H97.3Very high98.1Very high43 Ų4352.5 Ų52.520%0.19924%0.236CC..  trans-152.684.4180-160.4-79.8000113.8P133 V267 L268 R272 L273 Y274P133-H270 HydrophobicContact CG-CB 4.46Å; V267-H270 HydrophobicContact CG1-CB 4.42Å; L268-H270 VanDerWaalsContact C-N 3.33Å; L268-H270 PolarHBondContact O-N 3.08Å; H270-R272 VanDerWaalsContact C-N 3.34Å; H270-R272 PolarHBondContact O-N 2.82Å; H270-L273 HydrophobicContact CB-CB 4.16Å; H270-L273 WeakPolarHBondContact ND1-CB 3.31Å; H270-L273 PolarHBondContact ND1-N 3.46Å; H270-L273 PolarHBondContact O-N 3.22Å; H270-L273 VanDerWaalsContact O-N 3.08Å; H270-Y274 PolarHBondContact O-N 2.82Å
271E97.5Very high98Very high142 Ų14253.2 Ų53.266%0.66424%0.24SC*.Hα-helixtrans-56.8-39.7-176.2-65.1-172.6164.700114.4L273 Y274 N275 L289E271-L273 VanDerWaalsContact C-N 3.29Å; E271-L273 PolarHBondContact O-N 3.11Å; E271-Y274 WeakPolarHBondContact O-CB 3.36Å; E271-Y274 PolarHBondContact O-N 2.7Å; E271-N275 PolarHBondContact O-N 3.28Å; E271-N275 PolarHBondContact O-ND2 3.07Å; E271-N275 VanDerWaalsContact O-ND2 3.08Å; E271-L289 HydrophobicContact CG-CD2 4.02Å
272R97.9Very high98Very high165 Ų16550.9 Ų50.962%0.62324%0.235SC*.Hα-helixtrans-60.8-41.2178178.2177172.8165.53111.7H270 N275 E276H270-R272 VanDerWaalsContact C-N 3.34Å; H270-R272 PolarHBondContact O-N 2.82Å; R272-N275 PolarHBondContact O-N 3.4Å; R272-E276 IonicContact CZ-OE1 3.34Å; R272-E276 IonicContact NE-OE1 3.37Å; R272-E276 PolarHBondContact NE-OE1 2.75Å; R272-E276 IonicContact NH2-OE1 2.86Å; R272-E276 PolarHBondContact NH2-OE1 3.38Å; R272-E276 WeakPolarHBondContact O-CB 3.43Å; R272-E276 VanDerWaalsContact O-CG 3.31Å; R272-E276 WeakPolarHBondContact O-CG 3.17Å; R272-E276 PolarHBondContact O-N 2.84Å
273L98.2Very high97.9Very high0 Ų060.1 Ų60.10%028%0.277CS..Hα-helixtrans-71.1-38.6-179.8175.865.2000109.9V131 V245 Y250 L253 V267 H270 E271 N275 E276 L277V131-L273 HydrophobicContact CB-CD2 4.23Å; V131-L273 HydrophobicContact CG2-CD2 3.92Å; V245-L273 HydrophobicContact CB-CD1 4.37Å; V245-L273 HydrophobicContact CB-CD2 3.97Å; V245-L273 HydrophobicContact CG1-CD2 3.72Å; Y250-L273 HydrophobicContact CD2-CD1 3.77Å; Y250-L273 HydrophobicContact CE2-CD1 3.96Å; L253-L273 HydrophobicContact CD1-CD1 4.18Å; L253-L273 HydrophobicContact CD1-CD2 4.45Å; V267-L273 HydrophobicContact CG1-CB 4.28Å; V267-L273 HydrophobicContact CG1-CD2 4.14Å; V267-L273 HydrophobicContact CG1-CG 4.23Å; H270-L273 HydrophobicContact CB-CB 4.16Å; H270-L273 WeakPolarHBondContact ND1-CB 3.31Å; H270-L273 PolarHBondContact ND1-N 3.46Å; H270-L273 PolarHBondContact O-N 3.22Å; H270-L273 VanDerWaalsContact O-N 3.08Å; E271-L273 VanDerWaalsContact C-N 3.29Å; E271-L273 PolarHBondContact O-N 3.11Å; L273-N275 PolarHBondContact O-N 3.42Å; L273-E276 PolarHBondContact O-N 3.1Å; L273-L277 HydrophobicContact CD1-CD1 3.79Å; L273-L277 HydrophobicContact CD1-CG 3.93Å; L273-L277 HydrophobicContact CD2-CD1 4.41Å; L273-L277 HydrophobicContact CG-CD1 3.74Å; L273-L277 HydrophobicContact CG-CG 4.29Å; L273-L277 WeakPolarHBondContact O-CB 3.18Å; L273-L277 WeakPolarHBondContact O-CG 3.38Å; L273-L277 PolarHBondContact O-N 3Å
274Y98.5Very high97.7Very high45 Ų4565.6 Ų65.618%0.17630%0.3CS..Hα-helixtrans-55.8-49.6172.4168.1-93000111.9V267 H270 E271 K278 V287 L289V267-Y274 HydrophobicContact CG2-CD2 4.4Å; H270-Y274 PolarHBondContact O-N 2.82Å; E271-Y274 WeakPolarHBondContact O-CB 3.36Å; E271-Y274 PolarHBondContact O-N 2.7Å; Y274-K278 HydrophobicContact CE1-CD 3.95Å; Y274-K278 WeakPolarHBondContact O-CB 3.38Å; Y274-K278 PolarHBondContact O-N 2.87Å; Y274-K278 PolarHBondContact OH-NZ 2.79Å; Y274-K278 VanDerWaalsContact OH-NZ 3.09Å; Y274-V287 HydrophobicContact CD2-CG1 3.68Å; Y274-V287 HydrophobicContact CE2-CB 4.32Å; Y274-V287 HydrophobicContact CE2-CG1 3.92Å; Y274-V287 WeakPolarHBondContact CE2-O 3.45Å; Y274-L289 HydrophobicContact CD2-CB 3.74Å; Y274-L289 HydrophobicContact CE2-CB 4.09Å; Y274-L289 HydrophobicContact CG-CB 4.15Å
275N98.3Very high97.7Very high94 Ų9465.9 Ų65.950%0.50330%0.302SS..Hα-helixtrans-67.7-39.2-179.5-71.3-46.2000112.5E271 R272 L273 R279E271-N275 PolarHBondContact O-N 3.28Å; E271-N275 PolarHBondContact O-ND2 3.07Å; E271-N275 VanDerWaalsContact O-ND2 3.08Å; R272-N275 PolarHBondContact O-N 3.4Å; L273-N275 PolarHBondContact O-N 3.42Å; N275-R279 WeakPolarHBondContact O-CB 3.36Å; N275-R279 PolarHBondContact O-N 2.96Å; N275-R279 VanDerWaalsContact O-N 3.15Å
276E98.3Very high97.7Very high39 Ų3973 Ų7318%0.18233%0.329CS..Hα-helixtrans-62-50.7175.1-74.3169.117500111Y250 R272 L273 K278 R279 D280Y250-E276 HydrophobicContact CE2-CB 3.85Å; Y250-E276 VanDerWaalsContact OH-C 3.27Å; Y250-E276 PolarHBondContact OH-O 3.27Å; R272-E276 IonicContact CZ-OE1 3.34Å; R272-E276 IonicContact NE-OE1 3.37Å; R272-E276 PolarHBondContact NE-OE1 2.75Å; R272-E276 IonicContact NH2-OE1 2.86Å; R272-E276 PolarHBondContact NH2-OE1 3.38Å; R272-E276 WeakPolarHBondContact O-CB 3.43Å; R272-E276 VanDerWaalsContact O-CG 3.31Å; R272-E276 WeakPolarHBondContact O-CG 3.17Å; R272-E276 PolarHBondContact O-N 2.84Å; L273-E276 PolarHBondContact O-N 3.1Å; E276-K278 PolarHBondContact O-N 3.37Å; E276-R279 WeakPolarHBondContact O-CB 3.44Å; E276-R279 PolarHBondContact O-N 2.91Å; E276-D280 WeakPolarHBondContact O-CB 3.43Å; E276-D280 PolarHBondContact O-N 3.05Å
277L98.2Very high97.7Very high0 Ų074 Ų740%034%0.335CS..Hα-helixtrans-66.2-38179.4-70.1171000112.9V131 Y250 V254 V265 V267 L273 R279 D280 L281 V287V131-L277 HydrophobicContact CG2-CD1 3.72Å; Y250-L277 HydrophobicContact CE2-CD2 3.71Å; Y250-L277 HydrophobicContact CE2-CG 4.03Å; V254-L277 HydrophobicContact CG2-CD2 4.41Å; V265-L277 HydrophobicContact CG1-CD1 4.07Å; V267-L277 HydrophobicContact CG2-CD1 4.05Å; L273-L277 HydrophobicContact CD1-CD1 3.79Å; L273-L277 HydrophobicContact CD1-CG 3.93Å; L273-L277 HydrophobicContact CD2-CD1 4.41Å; L273-L277 HydrophobicContact CG-CD1 3.74Å; L273-L277 HydrophobicContact CG-CG 4.29Å; L273-L277 WeakPolarHBondContact O-CB 3.18Å; L273-L277 WeakPolarHBondContact O-CG 3.38Å; L273-L277 PolarHBondContact O-N 3Å; L277-R279 PolarHBondContact O-N 3.47Å; L277-D280 PolarHBondContact O-N 2.78Å; L277-L281 HydrophobicContact CB-CD1 4.07Å; L277-L281 HydrophobicContact CB-CG 4.47Å; L277-L281 HydrophobicContact CD2-CD1 4.14Å; L277-L281 HydrophobicContact CD2-CG 4.35Å; L277-L281 WeakPolarHBondContact O-CB 3.35Å; L277-L281 VanDerWaalsContact O-CG 3.27Å; L277-L281 WeakPolarHBondContact O-CG 3.35Å; L277-L281 PolarHBondContact O-N 2.98Å; L277-V287 HydrophobicContact CB-CG1 4.4Å
278K97.5Very high97.7Very high116 Ų11676.6 Ų76.650%0.50435%0.351SS..Hα-helixtrans-64.3-30.4176.4-174.2177.7-174.91760112.5Y274 E276Y274-K278 HydrophobicContact CE1-CD 3.95Å; Y274-K278 WeakPolarHBondContact O-CB 3.38Å; Y274-K278 PolarHBondContact O-N 2.87Å; Y274-K278 PolarHBondContact OH-NZ 2.79Å; Y274-K278 VanDerWaalsContact OH-NZ 3.09Å; E276-K278 PolarHBondContact O-N 3.37Å
279R97.7Very high97.7Very high172 Ų17279.7 Ų79.765%0.64937%0.367SS*.Hα-helixtrans-78.2-42.7176.3-176.6-168.667.4-151.2-10.1111.7N275 E276 L277N275-R279 WeakPolarHBondContact O-CB 3.36Å; N275-R279 PolarHBondContact O-N 2.96Å; N275-R279 VanDerWaalsContact O-N 3.15Å; E276-R279 WeakPolarHBondContact O-CB 3.44Å; E276-R279 PolarHBondContact O-N 2.91Å; L277-R279 PolarHBondContact O-N 3.47Å
280D97.7Very high97.8Very high69 Ų6976.8 Ų76.837%0.36935%0.351SS..Hα-helixtrans-94.6-21.4-167.3-62.6-12.7000113.7Y250 E276 L277Y250-D280 WeakPolarHBondContact OH-CB 3.32Å; Y250-D280 VanDerWaalsContact OH-CG 3.27Å; Y250-D280 PolarHBondContact OH-OD2 3.22Å; E276-D280 WeakPolarHBondContact O-CB 3.43Å; E276-D280 PolarHBondContact O-N 3.05Å; L277-D280 PolarHBondContact O-N 2.78Å
281L98Very high97.8Very high14 Ų1477.6 Ų77.67%0.07336%0.36CS..SBendtrans-83.9152.8175.6-64.6176.8000111.8A257 V265 L277 V285 V287A257-L281 HydrophobicContact CB-CD2 3.65Å; V265-L281 HydrophobicContact CG2-CD1 3.76Å; L277-L281 HydrophobicContact CB-CD1 4.07Å; L277-L281 HydrophobicContact CB-CG 4.47Å; L277-L281 HydrophobicContact CD2-CD1 4.14Å; L277-L281 HydrophobicContact CD2-CG 4.35Å; L277-L281 WeakPolarHBondContact O-CB 3.35Å; L277-L281 VanDerWaalsContact O-CG 3.27Å; L277-L281 WeakPolarHBondContact O-CG 3.35Å; L277-L281 PolarHBondContact O-N 2.98Å; L281-V285 HydrophobicContact CB-CB 4.35Å; L281-V285 HydrophobicContact CD1-CG1 4.11Å; L281-V287 HydrophobicContact CD1-CG2 4.18Å
282P97.5Very high97.6Very high66 Ų6675.1 Ų75.143%0.42935%0.347SS..  trans-56.3145.3176-24.934.1000112.9F284 V285P282-F284 HydrophobicContact CB-CD1 3.52Å; P282-F284 HydrophobicContact CB-CE1 3.25Å; P282-F284 HydrophobicContact CB-CG 4.41Å; P282-F284 HydrophobicContact CB-CZ 3.94Å; P282-F284 HydrophobicContact CG-CE1 3.82Å; P282-F284 HydrophobicContact CG-CZ 4.16Å; P282-F284 PolarHBondContact O-N 2.94Å; P282-V285 HydrophobicContact CB-CG2 4.27Å; P282-V285 HydrophobicContact CG-CG2 4.42Å; P282-V285 WeakPolarHBondContact O-CB 3.32Å; P282-V285 PolarHBondContact O-N 2.78Å
283H95.1Very high97.4Very high194 Ų19468 Ų6890%0.89832%0.324SS*.THydrogen-bonded Turntrans-58.4-22-176.4-67.9-54000115.4V285H283-V285 VanDerWaalsContact C-N 3.3Å
284F95.8Very high97.1Very high140 Ų14070.7 Ų70.761%0.61435%0.351SS*.THydrogen-bonded Turntrans-74.9-20.6176.570.1-100000112.8P282 R286P282-F284 HydrophobicContact CB-CD1 3.52Å; P282-F284 HydrophobicContact CB-CE1 3.25Å; P282-F284 HydrophobicContact CB-CG 4.41Å; P282-F284 HydrophobicContact CB-CZ 3.94Å; P282-F284 HydrophobicContact CG-CE1 3.82Å; P282-F284 HydrophobicContact CG-CZ 4.16Å; P282-F284 PolarHBondContact O-N 2.94Å; F284-R286 PolarHBondContact O-N 3.13Å
285V98.3Very high96.7Very high14 Ų1469.9 Ų69.99%0.08536%0.356CS..SBendtrans-76.2121.4179.7-175.20000109.4V262 V265 L281 P282 H283 V287V262-V285 HydrophobicContact CG2-CG1 4.13Å; V262-V285 WeakPolarHBondContact O-CG2 3.49Å; V265-V285 HydrophobicContact CG2-CG1 3.79Å; L281-V285 HydrophobicContact CB-CB 4.35Å; L281-V285 HydrophobicContact CD1-CG1 4.11Å; P282-V285 HydrophobicContact CB-CG2 4.27Å; P282-V285 HydrophobicContact CG-CG2 4.42Å; P282-V285 WeakPolarHBondContact O-CB 3.32Å; P282-V285 PolarHBondContact O-N 2.78Å; H283-V285 VanDerWaalsContact C-N 3.3Å; V285-V287 PolarHBondContact O-N 3.42Å
286R98.4Very high96.4Very high149 Ų14967.5 Ų67.556%0.56235%0.345SS*.EExtended strand (participates in β ladder)trans-83106.1-179.4-61.4177.5-175.3173.20.8110.1D263 V264 V265 F284D263-R286 PolarHBondContact O-N 3.48Å; V264-R286 CarbonylContact C-O 3.56Å; V264-R286 WeakPolarHBondContact CA-O 3.49Å; V264-R286 HydrophobicContact CG2-CB 4.35Å; V265-R286 PolarHBondContact N-O 3.39Å; F284-R286 PolarHBondContact O-N 3.13Å
287V98.6Very high95.9Very high22 Ų2267.8 Ų67.813%0.13335%0.349CS..EExtended strand (participates in β ladder)trans-93.5120.7175.1-168.70000109.7V265 V267 Y274 L277 L281 V285V265-V287 HydrophobicContact CB-CG1 4.48Å; V265-V287 HydrophobicContact CB-CG2 4.45Å; V265-V287 WeakPolarHBondContact O-CA 3.39Å; V267-V287 HydrophobicContact CG2-CG1 3.82Å; Y274-V287 HydrophobicContact CD2-CG1 3.68Å; Y274-V287 HydrophobicContact CE2-CB 4.32Å; Y274-V287 HydrophobicContact CE2-CG1 3.92Å; Y274-V287 WeakPolarHBondContact CE2-O 3.45Å; L277-V287 HydrophobicContact CB-CG1 4.4Å; L281-V287 HydrophobicContact CD1-CG2 4.18Å; V285-V287 PolarHBondContact O-N 3.42Å
288V98.5Very high95.4Very high55 Ų5575.5 Ų75.533%0.33339%0.385SS..EExtended strand (participates in β ladder)trans-121.3127.9-176.6-176.70000109.4V265 L266 V267 L290V265-V288 PolarHBondContact O-N 3.21Å; L266-V288 HydrophobicContact CD2-CB 3.98Å; L266-V288 HydrophobicContact CD2-CG2 4.41Å; V267-V288 PolarHBondContact N-O 3.34Å; V288-L290 HydrophobicContact CG1-CD2 4.1Å; V288-L290 HydrophobicContact CG1-CG 4.31Å
289L98.4Very high94.9Very high66 Ų6675 Ų7535%0.34638%0.38SS..EExtended strand (participates in β ladder)trans-89.1127.9171.9-177.466.6000109.2V267 E271 Y274V267-L289 HydrophobicContact CB-CD1 4.28Å; V267-L289 HydrophobicContact CG1-CD1 4.19Å; V267-L289 WeakPolarHBondContact O-CA 3.29Å; E271-L289 HydrophobicContact CG-CD2 4.02Å; Y274-L289 HydrophobicContact CD2-CB 3.74Å; Y274-L289 HydrophobicContact CE2-CB 4.09Å; Y274-L289 HydrophobicContact CG-CB 4.15Å
290L98Very high94.5Very high7 Ų769.7 Ų69.74%0.03737%0.37CS..EExtended strand (participates in β ladder)trans-121.5142174.2-62.1174.4000109.6L103 Y104 L266 V267 L268 D269 V288L103-L290 HydrophobicContact CB-CD2 4.23Å; Y104-L290 HydrophobicContact CD1-CD1 4.31Å; Y104-L290 HydrophobicContact CE1-CD1 4.33Å; L266-L290 HydrophobicContact CB-CD1 4.26Å; L266-L290 HydrophobicContact CD1-CD1 4.27Å; L266-L290 HydrophobicContact CD2-CD1 4.27Å; V267-L290 PolarHBondContact O-N 3.46Å; L268-L290 WeakPolarHBondContact CA-O 3.15Å; L268-L290 HydrophobicContact CD2-CB 3.65Å; L268-L290 HydrophobicContact CD2-CD1 4.01Å; L268-L290 HydrophobicContact CD2-CG 4.39Å; D269-L290 PolarHBondContact N-O 2.75Å; V288-L290 HydrophobicContact CG1-CD2 4.1Å; V288-L290 HydrophobicContact CG1-CG 4.31Å
291P96.5Very high94.1Very high60 Ų6074.7 Ų74.739%0.3939%0.388SS..PPolyproline II helixtrans-71152.7173.131.6-35000110.5P100 L103 Y104P100-P291 HydrophobicContact CB-CG 4.01Å; L103-P291 HydrophobicContact CD1-CG 3.62Å; Y104-P291 PolarHBondContact OH-O 2.97Å
292K94.2Very high93.7Very high90 Ų9079.6 Ų79.639%0.39141%0.41SS..PPolyproline II helixtrans-72.7154.2165.467.7176.1172.9-139.20110.2V136 D269V136-K292 HydrophobicContact CB-CB 4.32Å; D269-K292 HydrophobicContact CB-CB 3.86Å; D269-K292 HydrophobicContact CB-CD 4.32Å; D269-K292 HydrophobicContact CB-CG 4.02Å; D269-K292 WeakPolarHBondContact OD2-CD 3.41Å; D269-K292 WeakPolarHBondContact OD2-CE 3.24Å; D269-K292 WeakPolarHBondContact OD2-CG 3.27Å; D269-K292 IonicContact OD2-NZ 2.73Å; D269-K292 PolarHBondContact OD2-NZ 2.81Å
293S94.6Very high93.2Very high17 Ų1778 Ų7812%0.11940%0.401CS..PPolyproline II helixtrans-69.9139.5166.8172.80000109.9G295 V296S293-G295 PolarHBondContact O-N 2.83Å; S293-G295 VanDerWaalsContact O-N 3.13Å; S293-G295 PolarHBondContact OG-N 3.35Å; S293-G295 VanDerWaalsContact OG-N 3.12Å; S293-V296 WeakPolarHBondContact O-CB 3.15Å; S293-V296 WeakPolarHBondContact O-CG2 3.49Å; S293-V296 PolarHBondContact O-N 2.66Å
294G91.3Very high93Very high56 Ų5671 Ų7158%0.57737%0.366SS*.THydrogen-bonded Turntrans-63.6-11.1171.100000113.7R32 V296R32-G294 VanDerWaalsContact NH1-C 3.29Å; G294-V296 VanDerWaalsContact C-N 3.34Å
295G89.8Confident92.8Very high28 Ų2872 Ų7229%0.28937%0.366SS..THydrogen-bonded Turntrans-86.3-0.2172.900000114.2S293S293-G295 PolarHBondContact O-N 2.83Å; S293-G295 VanDerWaalsContact O-N 3.13Å; S293-G295 PolarHBondContact OG-N 3.35Å; S293-G295 VanDerWaalsContact OG-N 3.12Å
296V91.4Very high92.4Very high44 Ų4476.7 Ų76.727%0.26739%0.387SS..  trans-76.4126.4174.4-178.40000109.1D135 S293 G294D135-V296 VanDerWaalsContact C-CG1 3.48Å; D135-V296 WeakPolarHBondContact O-CG1 3.47Å; S293-V296 WeakPolarHBondContact O-CB 3.15Å; S293-V296 WeakPolarHBondContact O-CG2 3.49Å; S293-V296 PolarHBondContact O-N 2.66Å; G294-V296 VanDerWaalsContact C-N 3.34Å
297V88.3Confident92Very high45 Ų4571.8 Ų71.827%0.27337%0.374SS..  trans-107.4136.6-178.7-169.40000110K73K73-V297 HydrophobicContact CD-CB 3.92Å; K73-V297 HydrophobicContact CD-CG2 3.93Å
298E87.5Confident91.8Very high161 Ų16173.1 Ų73.175%0.75238%0.376SS*.  trans-63.1142.2172.4-66.6-172.3172.300111D135D135-E298 HydrophobicContact CB-CG 4.47Å
299R87.6Confident91.5Very high106 Ų10672.6 Ų72.640%0.437%0.371SS..  trans-114.7125.9-177.2-62.5-177.4-175.9-178.8-1110.9D135 R304D135-R299 PolarHBondContact OD2-N 2.96Å; R299-R304 HydrophobicContact CB-CG 4.19Å; R299-R304 PolarHBondContact O-NE 3.2Å
300S88.6Confident91.2Very high61 Ų6173 Ų7343%0.42737%0.371SS..  trans-61.9164.3170.770.60000111.7E302 C303 R304S300-E302 WeakPolarHBondContact CB-OE2 3.41Å; S300-E302 PolarHBondContact O-N 2.88Å; S300-E302 PolarHBondContact OG-OE2 3.04Å; S300-C303 WeakPolarHBondContact OG-CB 3.21Å; S300-C303 PolarHBondContact OG-N 3.38Å; S300-C303 VanDerWaalsContact OG-N 3.12Å; S300-R304 WeakPolarHBondContact O-CG 3.36Å; S300-R304 PolarHBondContact O-N 2.85Å
301K89.3Confident90.9Very high173 Ų17375.4 Ų75.475%0.75238%0.382SS*.Hα-helixtrans-66.5-33.4177.6-69.5-179.6-179.7175.60111.1R304 R305K301-R304 PolarHBondContact O-N 2.93Å; K301-R305 PolarHBondContact O-N 3.24Å
302E89.4Confident90.9Very high117 Ų11772.6 Ų72.655%0.54736%0.364SS..Hα-helixtrans-64.9-52.7178.2-62.967.2-146.100109.9S300 R304 R305 E306S300-E302 WeakPolarHBondContact CB-OE2 3.41Å; S300-E302 PolarHBondContact O-N 2.88Å; S300-E302 PolarHBondContact OG-OE2 3.04Å; E302-R304 VanDerWaalsContact C-N 3.28Å; E302-R304 PolarHBondContact O-N 3.22Å; E302-R305 WeakPolarHBondContact O-CA 3.34Å; E302-R305 VanDerWaalsContact O-CB 3.3Å; E302-R305 WeakPolarHBondContact O-CB 3.5Å; E302-R305 PolarHBondContact O-N 3.21Å; E302-E306 PolarHBondContact O-N 3.02Å
303C87.4Confident90.9Very high33 Ų3372.3 Ų72.322%0.22336%0.36CS..Hα-helixtrans-56.6-41176.1172.60000112.1S300 R305 E306 T307S300-C303 WeakPolarHBondContact OG-CB 3.21Å; S300-C303 PolarHBondContact OG-N 3.38Å; S300-C303 VanDerWaalsContact OG-N 3.12Å; C303-R305 VanDerWaalsContact C-N 3.31Å; C303-R305 PolarHBondContact O-N 3.48Å; C303-E306 PolarHBondContact O-N 3.45Å; C303-T307 WeakPolarHBondContact O-CB 3.35Å; C303-T307 PolarHBondContact O-N 2.83Å; C303-T307 PolarHBondContact O-OG1 3.5Å
304R91.7Very high90.8Very high47 Ų4773.3 Ų73.318%0.17736%0.363CS..Hα-helixtrans-64.7-35.5175.2-69173.5-173.8-80.7-3.8112.3D135 Q165 R299 S300 K301 E302 R308D135-R304 IonicContact OD1-CZ 3.67Å; D135-R304 IonicContact OD1-NH2 3.6Å; D135-R304 PolarHBondContact OD1-NH2 3.06Å; D135-R304 IonicContact OD2-CZ 2.79Å; D135-R304 IonicContact OD2-NH2 2.71Å; D135-R304 PolarHBondContact OD2-NH2 3.18Å; Q165-R304 PolarHBondContact NE2-O 2.96Å; R299-R304 HydrophobicContact CB-CG 4.19Å; R299-R304 PolarHBondContact O-NE 3.2Å; S300-R304 WeakPolarHBondContact O-CG 3.36Å; S300-R304 PolarHBondContact O-N 2.85Å; K301-R304 PolarHBondContact O-N 2.93Å; E302-R304 VanDerWaalsContact C-N 3.28Å; E302-R304 PolarHBondContact O-N 3.22Å; R304-R308 WeakPolarHBondContact O-CG 3.21Å; R304-R308 PolarHBondContact O-N 3.12Å; R304-R308 VanDerWaalsContact O-N 3.16Å; R304-R308 PolarHBondContact O-NH1 3.21Å
305R91.8Very high91Very high161 Ų16173.6 Ų73.661%0.60835%0.347SS*.Hα-helixtrans-68.7-48.2176.6-177.2-174.9173.8-165.7-1.8110.8K301 E302 C303 T307 R308 D309K301-R305 PolarHBondContact O-N 3.24Å; E302-R305 WeakPolarHBondContact O-CA 3.34Å; E302-R305 VanDerWaalsContact O-CB 3.3Å; E302-R305 WeakPolarHBondContact O-CB 3.5Å; E302-R305 PolarHBondContact O-N 3.21Å; C303-R305 VanDerWaalsContact C-N 3.31Å; C303-R305 PolarHBondContact O-N 3.48Å; R305-T307 VanDerWaalsContact C-N 3.3Å; R305-T307 PolarHBondContact O-N 3.08Å; R305-R308 WeakPolarHBondContact O-CA 3.33Å; R305-R308 WeakPolarHBondContact O-CB 3.18Å; R305-R308 PolarHBondContact O-N 3.43Å; R305-D309 PolarHBondContact O-N 3.42Å
306E89.5Confident91.2Very high112 Ų11272.3 Ų72.352%0.52333%0.333SS..Hα-helixtrans-57.9-43.9176.4-69.5165.2-176.200111.3E302 C303 R308 D309 E310E302-E306 PolarHBondContact O-N 3.02Å; C303-E306 PolarHBondContact O-N 3.45Å; E306-R308 VanDerWaalsContact C-N 3.29Å; E306-R308 PolarHBondContact O-N 2.84Å; E306-D309 PolarHBondContact O-N 3.23Å; E306-E310 WeakPolarHBondContact O-CB 3.47Å; E306-E310 PolarHBondContact O-N 2.86Å
307T89.7Confident91.3Very high46 Ų4673.4 Ų73.428%0.28233%0.333SS..Hα-helixtrans-61.5-36.7175.8-54.90000112.1C303 R305 K311C303-T307 WeakPolarHBondContact O-CB 3.35Å; C303-T307 PolarHBondContact O-N 2.83Å; C303-T307 PolarHBondContact O-OG1 3.5Å; R305-T307 VanDerWaalsContact C-N 3.3Å; R305-T307 PolarHBondContact O-N 3.08Å; T307-K311 VanDerWaalsContact O-CG 3.3Å; T307-K311 WeakPolarHBondContact O-CG 3.42Å; T307-K311 PolarHBondContact O-N 2.63Å
308R94.2Very high91.4Very high51 Ų5171.9 Ų71.919%0.19233%0.326CS..Hα-helixtrans-66.4-44.8175.2-78.5-167.8-58.2-83.23.5111.4G164 P171 R304 R305 E306 E310 K311 I312G164-R308 VanDerWaalsContact O-CD 3.31Å; G164-R308 WeakPolarHBondContact O-CD 3.3Å; G164-R308 WeakPolarHBondContact O-CG 3.24Å; P171-R308 HydrophobicContact CB-CB 4.35Å; P171-R308 HydrophobicContact CB-CG 3.81Å; P171-R308 HydrophobicContact CG-CB 3.59Å; P171-R308 HydrophobicContact CG-CG 3.47Å; P171-R308 VanDerWaalsContact CG-CG 3.47Å; R304-R308 WeakPolarHBondContact O-CG 3.21Å; R304-R308 PolarHBondContact O-N 3.12Å; R304-R308 VanDerWaalsContact O-N 3.16Å; R304-R308 PolarHBondContact O-NH1 3.21Å; R305-R308 WeakPolarHBondContact O-CA 3.33Å; R305-R308 WeakPolarHBondContact O-CB 3.18Å; R305-R308 PolarHBondContact O-N 3.43Å; E306-R308 VanDerWaalsContact C-N 3.29Å; E306-R308 PolarHBondContact O-N 2.84Å; R308-E310 VanDerWaalsContact C-N 3.32Å; R308-K311 PolarHBondContact O-N 3.3Å; R308-I312 WeakPolarHBondContact O-CG1 3.4Å; R308-I312 PolarHBondContact O-N 3.28Å; R308-I312 VanDerWaalsContact O-N 3.1Å
309D93Very high91.2Very high43 Ų4366.2 Ų66.223%0.2330%0.3CS..Hα-helixtrans-64.8-40.4179.9-65.2-11.5000110.2R305 E306 I312 R313R305-D309 PolarHBondContact O-N 3.42Å; E306-D309 PolarHBondContact O-N 3.23Å; D309-I312 PolarHBondContact O-N 3.1Å; D309-R313 PolarHBondContact O-N 3.4Å
310E90.8Very high90.4Very high74 Ų7465.8 Ų65.835%0.34630%0.298SS..Hα-helixtrans-63-41.9173.7-170.161.6-161.200112.1E306 R308 I312 R313 E314E306-E310 WeakPolarHBondContact O-CB 3.47Å; E306-E310 PolarHBondContact O-N 2.86Å; R308-E310 VanDerWaalsContact C-N 3.32Å; E310-I312 VanDerWaalsContact C-N 3.28Å; E310-I312 PolarHBondContact O-N 3.42Å; E310-R313 CarbonylContact O-C 3.48Å; E310-R313 WeakPolarHBondContact O-CB 3.48Å; E310-R313 PolarHBondContact O-N 3.37Å; E310-R313 VanDerWaalsContact O-N 3.12Å; E310-R313 IonicContact OE2-CZ 3.72Å; E310-R313 IonicContact OE2-NH1 3.77Å; E310-R313 PolarHBondContact OE2-NH1 3.08Å; E310-E314 HydrophobicContact CG-CG 4.44Å; E310-E314 WeakPolarHBondContact O-CB 3.14Å; E310-E314 WeakPolarHBondContact O-CG 3.08Å; E310-E314 PolarHBondContact O-N 2.96Å
311K92.9Very high89.3Confident59 Ų5966.8 Ų66.826%0.25732%0.318SS..Hα-helixtrans-63.4-33.8176.1-74.8-72.1160.4-152.80113.1T307 R308 E314 Y315T307-K311 VanDerWaalsContact O-CG 3.3Å; T307-K311 WeakPolarHBondContact O-CG 3.42Å; T307-K311 PolarHBondContact O-N 2.63Å; R308-K311 PolarHBondContact O-N 3.3Å; K311-E314 WeakPolarHBondContact CD-OE2 3.49Å; K311-E314 IonicContact NZ-OE1 2.87Å; K311-E314 IonicContact NZ-OE2 3.58Å; K311-E314 PolarHBondContact NZ-OE2 3Å; K311-Y315 PolarHBondContact O-N 3.25Å
312I95.6Very high88.7Confident1 Ų163 Ų631%0.00531%0.305CS..Hα-helixtrans-70.7-42.3173.3-61.2165.3000109.9V170 P171 R308 D309 E310 Y315 F316 V377 I435 F437V170-I312 HydrophobicContact CB-CG1 4.24Å; V170-I312 HydrophobicContact CG1-CG1 4.31Å; P171-I312 HydrophobicContact CG-CG1 4.5Å; R308-I312 WeakPolarHBondContact O-CG1 3.4Å; R308-I312 PolarHBondContact O-N 3.28Å; R308-I312 VanDerWaalsContact O-N 3.1Å; D309-I312 PolarHBondContact O-N 3.1Å; E310-I312 VanDerWaalsContact C-N 3.28Å; E310-I312 PolarHBondContact O-N 3.42Å; I312-Y315 WeakPolarHBondContact O-CB 3.3Å; I312-Y315 PolarHBondContact O-N 2.71Å; I312-F316 HydrophobicContact CG2-CD2 4.11Å; I312-F316 HydrophobicContact CG2-CE2 3.84Å; I312-F316 VanDerWaalsContact O-CD2 3.25Å; I312-F316 WeakPolarHBondContact O-CD2 3.49Å; I312-F316 PolarHBondContact O-N 2.7Å; I312-V377 HydrophobicContact CD1-CG2 4.19Å; I312-I435 HydrophobicContact CD1-CG2 3.72Å; I312-F437 HydrophobicContact CB-CD2 3.83Å; I312-F437 HydrophobicContact CB-CE2 4.23Å; I312-F437 HydrophobicContact CB-CG 4.21Å; I312-F437 HydrophobicContact CD1-CB 4.18Å; I312-F437 HydrophobicContact CD1-CD2 4.39Å; I312-F437 HydrophobicContact CG2-CB 3.82Å; I312-F437 HydrophobicContact CG2-CD1 3.93Å; I312-F437 HydrophobicContact CG2-CD2 3.64Å; I312-F437 HydrophobicContact CG2-CE1 4.41Å; I312-F437 HydrophobicContact CG2-CE2 4.16Å; I312-F437 HydrophobicContact CG2-CG 3.51Å
313R94.1Very high88.6Confident84 Ų8461.3 Ų61.332%0.31731%0.307SS..Hα-helixtrans-59.1-49.7175.5-175.2-178.8-69.9106.51.5111.8D309 E310 Y315 F316 Y317 F437D309-R313 PolarHBondContact O-N 3.4Å; E310-R313 CarbonylContact O-C 3.48Å; E310-R313 WeakPolarHBondContact O-CB 3.48Å; E310-R313 PolarHBondContact O-N 3.37Å; E310-R313 VanDerWaalsContact O-N 3.12Å; E310-R313 IonicContact OE2-CZ 3.72Å; E310-R313 IonicContact OE2-NH1 3.77Å; E310-R313 PolarHBondContact OE2-NH1 3.08Å; R313-Y315 PolarHBondContact O-N 3.21Å; R313-F316 PolarHBondContact O-N 2.85Å; R313-F316 VanDerWaalsContact O-N 3.08Å; R313-Y317 HydrophobicContact CG-CD2 3.86Å; R313-Y317 WeakPolarHBondContact O-CB 3.47Å; R313-Y317 WeakPolarHBondContact O-CD2 3.45Å; R313-Y317 PolarHBondContact O-N 3.34Å; R313-F437 HydrophobicContact CB-CE2 4.2Å; R313-F437 HydrophobicContact CB-CZ 4.12Å
314E92.4Very high88.9Confident38 Ų3865.2 Ų65.218%0.17832%0.32CS..Hα-helixtrans-56.1-37.6176.8-75.3176.2-174.400112.2E310 K311 F316 G318 F319E310-E314 HydrophobicContact CG-CG 4.44Å; E310-E314 WeakPolarHBondContact O-CB 3.14Å; E310-E314 WeakPolarHBondContact O-CG 3.08Å; E310-E314 PolarHBondContact O-N 2.96Å; K311-E314 WeakPolarHBondContact CD-OE2 3.49Å; K311-E314 IonicContact NZ-OE1 2.87Å; K311-E314 IonicContact NZ-OE2 3.58Å; K311-E314 PolarHBondContact NZ-OE2 3Å; E314-F316 VanDerWaalsContact C-N 3.33Å; E314-F316 PolarHBondContact O-N 2.85Å; E314-G318 WeakPolarHBondContact CA-O 3.36Å; E314-G318 CarbonylContact O-C 3.56Å; E314-G318 WeakPolarHBondContact O-CA 3.28Å; E314-G318 PolarHBondContact O-N 2.85Å; E314-F319 HydrophobicContact CG-CD2 4.35Å
315Y95Very high89Confident61 Ų6171.1 Ų71.124%0.23935%0.347CS..Hα-helixtrans-61.8-38.4177.4174-90.8000112.8V170 K311 I312 R313 G401 F402 P420V170-Y315 HydrophobicContact CG1-CD1 4.28Å; V170-Y315 HydrophobicContact CG1-CD2 4.15Å; V170-Y315 HydrophobicContact CG1-CG 3.81Å; K311-Y315 PolarHBondContact O-N 3.25Å; I312-Y315 WeakPolarHBondContact O-CB 3.3Å; I312-Y315 PolarHBondContact O-N 2.71Å; R313-Y315 PolarHBondContact O-N 3.21Å; Y315-G401 WeakPolarHBondContact OH-CA 3.17Å; Y315-F402 HydrophobicContact CE1-CB 3.95Å; Y315-F402 HydrophobicContact CE1-CD2 4.47Å; Y315-F402 WeakPolarHBondContact CE1-O 3.35Å; Y315-F402 AromaticContact CE2-CD2 3.94Å; Y315-F402 HydrophobicContact CE2-CD2 3.94Å; Y315-F402 AromaticContact CZ-CD2 3.89Å; Y315-F402 PolarHBondContact OH-N 3.11Å; Y315-P420 HydrophobicContact CE1-CB 4.36Å; Y315-P420 HydrophobicContact CE1-CG 4.01Å
316F95.3Very high89.2Confident1 Ų164.9 Ų64.90%0.00433%0.327CS..Hα-helixtrans-90.4-37.8-178.7-71.2-74.6000113.7I312 R313 E314 F324 P326 V404 L418I312-F316 HydrophobicContact CG2-CD2 4.11Å; I312-F316 HydrophobicContact CG2-CE2 3.84Å; I312-F316 VanDerWaalsContact O-CD2 3.25Å; I312-F316 WeakPolarHBondContact O-CD2 3.49Å; I312-F316 PolarHBondContact O-N 2.7Å; R313-F316 PolarHBondContact O-N 2.85Å; R313-F316 VanDerWaalsContact O-N 3.08Å; E314-F316 VanDerWaalsContact C-N 3.33Å; E314-F316 PolarHBondContact O-N 2.85Å; F316-F324 WeakPolarHBondContact O-CB 3.41Å; F316-P326 HydrophobicContact CB-CB 4.26Å; F316-P326 HydrophobicContact CB-CG 4.27Å; F316-P326 HydrophobicContact CD1-CB 4.29Å; F316-P326 WeakPolarHBondContact O-CD 3.34Å; F316-V404 HydrophobicContact CE2-CG2 3.59Å; F316-V404 HydrophobicContact CZ-CB 4.43Å; F316-V404 HydrophobicContact CZ-CG2 3.71Å; F316-L418 HydrophobicContact CB-CD2 4.24Å; F316-L418 HydrophobicContact CD1-CD2 3.97Å; F316-L418 HydrophobicContact CD1-CG 3.93Å; F316-L418 HydrophobicContact CD2-CD2 4.12Å; F316-L418 HydrophobicContact CE1-CD2 4.36Å; F316-L418 HydrophobicContact CE1-CG 4.19Å; F316-L418 HydrophobicContact CG-CD2 3.85Å; F316-L418 HydrophobicContact CG-CG 4.32Å
317Y93.9Very high89.5Confident67 Ų6763.9 Ų63.926%0.26332%0.322SS..Hα-helixtrans-109.2-5.4-169-64-70000113.5R313 F324 P326 L418 D439R313-Y317 HydrophobicContact CG-CD2 3.86Å; R313-Y317 WeakPolarHBondContact O-CB 3.47Å; R313-Y317 WeakPolarHBondContact O-CD2 3.45Å; R313-Y317 PolarHBondContact O-N 3.34Å; Y317-F324 PolarHBondContact O-N 2.85Å; Y317-P326 HydrophobicContact CD1-CG 3.66Å; Y317-P326 HydrophobicContact CE1-CG 3.23Å; Y317-P326 HydrophobicContact CG-CG 4.49Å; Y317-L418 HydrophobicContact CE2-CD2 4.32Å; Y317-D439 VanDerWaalsContact OH-CG 3.28Å; Y317-D439 PolarHBondContact OH-OD1 2.96Å; Y317-D439 PolarHBondContact OH-OD2 2.82Å
318G90.3Very high89.8Confident13 Ų1364.9 Ų64.913%0.13433%0.33CS..  trans79.7-179.5-17800000112.8E314 L322 F324E314-G318 WeakPolarHBondContact CA-O 3.36Å; E314-G318 CarbonylContact O-C 3.56Å; E314-G318 WeakPolarHBondContact O-CA 3.28Å; E314-G318 PolarHBondContact O-N 2.85Å; G318-L322 WeakPolarHBondContact CA-O 3.14Å; G318-F324 VanDerWaalsContact N-CD2 3.35Å
319F83.2Confident90Very high43 Ų4363.6 Ų63.619%0.18933%0.326CS..SBendtrans-99.6155.8177.1-176.2-93.6000109.8E186 E187 E314 G321 L322E186-F319 HydrophobicContact CB-CE1 3.9Å; E186-F319 HydrophobicContact CB-CZ 4.13Å; E186-F319 VanDerWaalsContact O-CZ 3.25Å; E186-F319 WeakPolarHBondContact O-CZ 3.11Å; E187-F319 HydrophobicContact CB-CD1 3.73Å; E187-F319 HydrophobicContact CB-CE1 3.93Å; E187-F319 HydrophobicContact CB-CG 4.18Å; E187-F319 HydrophobicContact CG-CD1 3.38Å; E187-F319 HydrophobicContact CG-CE1 3.56Å; E187-F319 HydrophobicContact CG-CG 4.26Å; E314-F319 HydrophobicContact CG-CD2 4.35Å; F319-G321 PolarHBondContact O-N 2.76Å; F319-L322 PolarHBondContact N-O 3.27Å; F319-L322 CarbonylContact O-C 3.59Å; F319-L322 WeakPolarHBondContact O-CA 3.46Å; F319-L322 PolarHBondContact O-N 2.67Å; F319-L322 VanDerWaalsContact O-O 3.13Å
320R70.9Confident90.2Very high97 Ų9768.1 Ų68.137%0.36635%0.346SS..THydrogen-bonded Turntrans-38.4120-176.3-62178.9-179.1-177.22.4113.2G69 L322G69-R320 VanDerWaalsContact CA-NH2 3.31Å; R320-L322 VanDerWaalsContact C-N 3.32Å; R320-L322 PolarHBondContact O-N 3Å
321G65.5Low90.6Very high82 Ų8265.1 Ų65.185%0.84533%0.332SS*.THydrogen-bonded Turntrans89.8-20-179.200000115.1F319F319-G321 PolarHBondContact O-N 2.76Å
322L76Confident90.8Very high93 Ų9369.2 Ų69.249%0.48735%0.346SS..  trans-113.481.9172.8-74168.5000109.7E187 G318 F319 R320 F324E187-L322 WeakPolarHBondContact OE1-CD1 3.43Å; G318-L322 WeakPolarHBondContact CA-O 3.14Å; F319-L322 PolarHBondContact N-O 3.27Å; F319-L322 CarbonylContact O-C 3.59Å; F319-L322 WeakPolarHBondContact O-CA 3.46Å; F319-L322 PolarHBondContact O-N 2.67Å; F319-L322 VanDerWaalsContact O-O 3.13Å; R320-L322 VanDerWaalsContact C-N 3.32Å; R320-L322 PolarHBondContact O-N 3Å; L322-F324 PolarHBondContact O-N 2.84Å
323S87.6Confident90.9Very high82 Ų8270 Ų7057%0.57335%0.35SS*.  trans-74.9125.1178.6-59.10000111.8
324F92.5Very high91Very high115 Ų11570.8 Ų70.850%0.50437%0.368SS..  trans-93.5150.6163.7-56.8-27.2000109.9F316 Y317 G318 L322 P326F316-F324 WeakPolarHBondContact O-CB 3.41Å; Y317-F324 PolarHBondContact O-N 2.85Å; G318-F324 VanDerWaalsContact N-CD2 3.35Å; L322-F324 PolarHBondContact O-N 2.84Å; F324-P326 WeakPolarHBondContact O-CD 3.34Å
325F93.9Very high91.1Very high171 Ų17171.6 Ų71.675%0.7537%0.373SS*.  trans-117.687.8-177.4-60.1-81.3000108.8
326P95.9Very high91.1Very high29 Ų2969.2 Ų69.219%0.18837%0.365CS..  trans-70.4156.7-178.430.8-34.2000110.7F316 Y317 F324 L418 S419F316-P326 HydrophobicContact CB-CB 4.26Å; F316-P326 HydrophobicContact CB-CG 4.27Å; F316-P326 HydrophobicContact CD1-CB 4.29Å; F316-P326 WeakPolarHBondContact O-CD 3.34Å; Y317-P326 HydrophobicContact CD1-CG 3.66Å; Y317-P326 HydrophobicContact CE1-CG 3.23Å; Y317-P326 HydrophobicContact CG-CG 4.49Å; F324-P326 WeakPolarHBondContact O-CD 3.34Å; P326-L418 HydrophobicContact CB-CD1 3.76Å; P326-L418 HydrophobicContact CB-CG 4.27Å; P326-L418 HydrophobicContact CG-CD1 3.85Å; P326-S419 CarbonylContact C-O 3.58Å; P326-S419 WeakPolarHBondContact CA-O 3.45Å; P326-S419 WeakPolarHBondContact CB-O 3.27Å
327F96.9Very high91.2Very high92 Ų9275.2 Ų75.240%0.40439%0.388SS..EExtended strand (participates in β ladder)trans-99.2144.6-178.8-63.6-93.6000110.5F329 L418 S419 A421 P422F327-F329 HydrophobicContact CB-CD1 4.03Å; F327-F329 HydrophobicContact CB-CE1 4.11Å; F327-L418 WeakPolarHBondContact O-CA 3.31Å; F327-S419 PolarHBondContact N-O 3.1Å; F327-S419 PolarHBondContact O-N 3.21Å; F327-A421 VanDerWaalsContact CD2-C 3.4Å; F327-P422 HydrophobicContact CD1-CB 3.9Å; F327-P422 HydrophobicContact CD2-CB 4.25Å; F327-P422 HydrophobicContact CE1-CB 3.86Å; F327-P422 HydrophobicContact CE2-CB 4.22Å; F327-P422 HydrophobicContact CE2-CG 4.34Å; F327-P422 HydrophobicContact CG-CB 4.1Å; F327-P422 HydrophobicContact CZ-CB 4.02Å; F327-P422 HydrophobicContact CZ-CG 4.26Å
328S96.8Very high91.3Very high66 Ų6672.3 Ų72.346%0.46238%0.377SS..EExtended strand (participates in β ladder)trans-121.1125.3169.2-169.20000110.7K416 V417S328-K416 WeakPolarHBondContact OG-CE 3.45Å; S328-V417 VanDerWaalsContact CA-O 3.27Å; S328-V417 WeakPolarHBondContact CA-O 3.14Å; S328-V417 PolarHBondContact OG-O 2.61Å
329F97.6Very high91.6Very high24 Ų2472.5 Ų72.511%0.10537%0.374CS..EExtended strand (participates in β ladder)trans-154.2165.3-179.155.8-94.3000111.5F327 V331 V417 R423 L425F327-F329 HydrophobicContact CB-CD1 4.03Å; F327-F329 HydrophobicContact CB-CE1 4.11Å; F329-V331 HydrophobicContact CD2-CG2 3.91Å; F329-V331 HydrophobicContact CE2-CG2 3.67Å; F329-V417 HydrophobicContact CD2-CG2 4.01Å; F329-V417 HydrophobicContact CE1-CG2 4.5Å; F329-V417 HydrophobicContact CE2-CG2 3.73Å; F329-V417 HydrophobicContact CZ-CG2 4.01Å; F329-V417 PolarHBondContact N-O 3.44Å; F329-V417 PolarHBondContact O-N 3.42Å; F329-R423 HydrophobicContact CD1-CB 4.22Å; F329-R423 HydrophobicContact CD2-CB 3.89Å; F329-R423 HydrophobicContact CE1-CB 4.2Å; F329-R423 HydrophobicContact CE2-CB 3.88Å; F329-R423 HydrophobicContact CG-CB 4.06Å; F329-R423 HydrophobicContact CZ-CB 4.03Å; F329-L425 HydrophobicContact CE2-CD2 4.29Å; F329-L425 HydrophobicContact CE2-CG 4.4Å; F329-L425 HydrophobicContact CZ-CD2 4Å
330E97.6Very high92.2Very high139 Ų13974.1 Ų74.165%0.6538%0.381SS*.EExtended strand (participates in β ladder)trans-88.2143.2176.9-67176.8176.200111.7M415E330-M415 CarbonylContact C-O 3.51Å; E330-M415 WeakPolarHBondContact CA-O 3.35Å
331V97.9Very high93.3Very high10 Ų1070.1 Ų70.16%0.06137%0.367CS..EExtended strand (participates in β ladder)trans-126.6126.6174.7-179.30000107.8F329 V336 V414 M415 V417 L425F329-V331 HydrophobicContact CD2-CG2 3.91Å; F329-V331 HydrophobicContact CE2-CG2 3.67Å; V331-V336 HydrophobicContact CG1-CG1 3.72Å; V331-V336 HydrophobicContact CG1-CG2 4.33Å; V331-V414 CarbonylContact O-C 3.5Å; V331-V414 WeakPolarHBondContact O-CA 3.34Å; V331-M415 HydrophobicContact CB-CE 3.99Å; V331-M415 HydrophobicContact CB-CG 4.15Å; V331-M415 HydrophobicContact CG1-CE 3.84Å; V331-M415 PolarHBondContact N-O 3.26Å; V331-M415 PolarHBondContact O-N 2.96Å; V331-V417 HydrophobicContact CG2-CG1 4.23Å; V331-V417 HydrophobicContact CG2-CG2 3.82Å; V331-L425 HydrophobicContact CG1-CD1 4.27Å; V331-L425 HydrophobicContact CG2-CD1 4.14Å; V331-L425 HydrophobicContact CG2-CG 4.47Å
332R97.6Very high94.5Very high145 Ų14566.7 Ų66.755%0.54733%0.331SS..EExtended strand (participates in β ladder)trans-71.7145175.7-66.5178.5-69.3-104.5-5.8110.5S334 D335 V414R332-S334 WeakPolarHBondContact CB-OG 3.43Å; R332-S334 PolarHBondContact O-N 3.44Å; R332-D335 HydrophobicContact CB-CB 4.42Å; R332-D335 IonicContact CZ-OD1 3.72Å; R332-D335 IonicContact CZ-OD2 3.22Å; R332-D335 VanDerWaalsContact CZ-OD2 3.22Å; R332-D335 IonicContact NE-OD1 3.05Å; R332-D335 PolarHBondContact NE-OD1 3.29Å; R332-D335 IonicContact NE-OD2 3.07Å; R332-D335 PolarHBondContact NE-OD2 2.78Å; R332-D335 IonicContact NH2-OD1 3.47Å; R332-D335 PolarHBondContact NH2-OD1 2.68Å; R332-D335 IonicContact NH2-OD2 2.73Å; R332-D335 PolarHBondContact NH2-OD2 2.95Å; R332-D335 WeakPolarHBondContact O-CB 3.48Å; R332-D335 PolarHBondContact O-N 2.99Å; R332-V414 HydrophobicContact CG-CG1 3.99Å
333F97.3Very high94.7Very high19 Ų1963.7 Ų63.78%0.08332%0.32CS..G310 helixtrans-60.1-31.1175.1-63.2-9.3000112.1D335 P369 V408 Q413 V414 M415F333-D335 PolarHBondContact O-N 3.5Å; F333-P369 HydrophobicContact CB-CB 4.44Å; F333-P369 HydrophobicContact CB-CG 4.14Å; F333-P369 HydrophobicContact CD1-CB 3.6Å; F333-P369 HydrophobicContact CD1-CG 4.08Å; F333-P369 HydrophobicContact CD2-CB 3.77Å; F333-P369 HydrophobicContact CD2-CG 4.27Å; F333-P369 HydrophobicContact CE1-CB 3.68Å; F333-P369 HydrophobicContact CE2-CB 3.86Å; F333-P369 HydrophobicContact CG-CB 3.67Å; F333-P369 HydrophobicContact CG-CG 3.91Å; F333-P369 HydrophobicContact CZ-CB 3.84Å; F333-V408 HydrophobicContact CE1-CG1 4.05Å; F333-V408 HydrophobicContact CZ-CG1 3.58Å; F333-Q413 HydrophobicContact CD2-CB 3.9Å; F333-Q413 HydrophobicContact CD2-CG 4.36Å; F333-Q413 VanDerWaalsContact CD2-OE1 3.31Å; F333-Q413 HydrophobicContact CE2-CB 4.29Å; F333-Q413 HydrophobicContact CG-CB 4.35Å; F333-Q413 WeakPolarHBondContact CG-O 3.25Å; F333-Q413 PolarHBondContact N-O 2.77Å; F333-V414 WeakPolarHBondContact CE1-O 3.38Å; F333-M415 HydrophobicContact CE1-CB 4.05Å; F333-M415 HydrophobicContact CE1-CG 4.42Å
334S96.3Very high94Very high99 Ų9964.5 Ų64.569%0.69232%0.323SS*.G310 helixtrans-65.6-22.5175.856.10000114.1R332R332-S334 WeakPolarHBondContact CB-OG 3.43Å; R332-S334 PolarHBondContact O-N 3.44Å
335D95.3Very high92.8Very high55 Ų5564.4 Ų64.429%0.29434%0.337SS..G310 helixtrans-89.8-7.1-171.5-63.37.1000112R332 F333 H428R332-D335 HydrophobicContact CB-CB 4.42Å; R332-D335 IonicContact CZ-OD1 3.72Å; R332-D335 IonicContact CZ-OD2 3.22Å; R332-D335 VanDerWaalsContact CZ-OD2 3.22Å; R332-D335 IonicContact NE-OD1 3.05Å; R332-D335 PolarHBondContact NE-OD1 3.29Å; R332-D335 IonicContact NE-OD2 3.07Å; R332-D335 PolarHBondContact NE-OD2 2.78Å; R332-D335 IonicContact NH2-OD1 3.47Å; R332-D335 PolarHBondContact NH2-OD1 2.68Å; R332-D335 IonicContact NH2-OD2 2.73Å; R332-D335 PolarHBondContact NH2-OD2 2.95Å; R332-D335 WeakPolarHBondContact O-CB 3.48Å; R332-D335 PolarHBondContact O-N 2.99Å; F333-D335 PolarHBondContact O-N 3.5Å; D335-H428 PolarHBondContact O-ND1 2.73Å
336V96Very high91.6Very high12 Ų1259.7 Ų59.77%0.07332%0.318CS..  trans-140.3156.5-176.6-62.90000112.3V331 I338 M415 L425 H428 L430V331-V336 HydrophobicContact CG1-CG1 3.72Å; V331-V336 HydrophobicContact CG1-CG2 4.33Å; V336-I338 HydrophobicContact CG2-CG1 4.43Å; V336-M415 HydrophobicContact CG2-CE 3.69Å; V336-L425 HydrophobicContact CG1-CD1 4.04Å; V336-H428 CarbonylContact C-O 3.52Å; V336-H428 WeakPolarHBondContact CA-O 3.49Å; V336-H428 WeakPolarHBondContact CB-O 3.38Å; V336-L430 HydrophobicContact CB-CD1 3.99Å; V336-L430 HydrophobicContact CB-CG 4.37Å; V336-L430 HydrophobicContact CG1-CD1 4.01Å; V336-L430 HydrophobicContact CG1-CG 4.46Å; V336-L430 HydrophobicContact CG2-CD1 4.16Å
337R96.1Very high90.5Very high126 Ų12662 Ų6248%0.47533%0.334SS..EExtended strand (participates in β ladder)trans-120.4126.3169.6-60.1179.9-163.2131.412.2108.4Y339 D385 H428 L430R337-Y339 HydrophobicContact CB-CD2 4.48Å; R337-Y339 HydrophobicContact CB-CE2 3.57Å; R337-D385 WeakPolarHBondContact CD-OD2 3.13Å; R337-D385 IonicContact CZ-OD2 3.54Å; R337-D385 IonicContact NE-OD2 3.61Å; R337-D385 PolarHBondContact NH1-O 2.8Å; R337-D385 IonicContact NH1-OD2 2.8Å; R337-D385 PolarHBondContact NH1-OD2 3.06Å; R337-H428 PolarHBondContact N-O 3.01Å; R337-L430 PolarHBondContact O-N 3.19Å
338I97Very high89.2Confident6 Ų663 Ų633%0.03134%0.343CS..EExtended strand (participates in β ladder)trans-107.1132.1-178.4-49.1-177.8000108.5V336 V367 P369 L373 L378 M415 L430 I432V336-I338 HydrophobicContact CG2-CG1 4.43Å; I338-V367 HydrophobicContact CB-CB 4.21Å; I338-V367 HydrophobicContact CG2-CB 3.99Å; I338-V367 HydrophobicContact CG2-CG1 4.41Å; I338-V367 PolarHBondContact O-N 3.47Å; I338-P369 HydrophobicContact CD1-CG 4.11Å; I338-L373 HydrophobicContact CD1-CD1 4.23Å; I338-L373 HydrophobicContact CD1-CD2 3.49Å; I338-L373 VanDerWaalsContact CD1-CD2 3.49Å; I338-L378 HydrophobicContact CD1-CD1 4.35Å; I338-M415 HydrophobicContact CD1-SD 4.44Å; I338-L430 CarbonylContact C-O 3.43Å; I338-L430 WeakPolarHBondContact CA-O 3.4Å; I338-L430 HydrophobicContact CG1-CB 4.28Å; I338-L430 HydrophobicContact CG1-CD1 4.37Å; I338-I432 HydrophobicContact CG2-CB 4.17Å
339Y96.4Very high88.3Confident18 Ų1865 Ų657%0.07136%0.358CS..EExtended strand (participates in β ladder)trans-127.8153.6177-58.9-87.7000111.6R337 L364 V365 P366 D385 T429 L430 L431 I432R337-Y339 HydrophobicContact CB-CD2 4.48Å; R337-Y339 HydrophobicContact CB-CE2 3.57Å; Y339-L364 HydrophobicContact CD1-CB 3.99Å; Y339-L364 HydrophobicContact CG-CB 4.41Å; Y339-L364 HydrophobicContact CG-CD2 4.4Å; Y339-V365 CarbonylContact C-O 3.33Å; Y339-V365 VanDerWaalsContact CA-O 3.28Å; Y339-V365 WeakPolarHBondContact CA-O 3.18Å; Y339-P366 HydrophobicContact CD1-CB 4.24Å; Y339-P366 HydrophobicContact CE1-CB 4.13Å; Y339-D385 HydrophobicContact CE2-CB 4.21Å; Y339-D385 PolarHBondContact OH-OD2 3.06Å; Y339-T429 HydrophobicContact CD2-CG2 3.93Å; Y339-T429 HydrophobicContact CE2-CG2 3.96Å; Y339-L430 PolarHBondContact N-O 3.23Å; Y339-L431 CarbonylContact O-C 3.55Å; Y339-L431 WeakPolarHBondContact O-CA 3.01Å; Y339-I432 PolarHBondContact O-N 2.86Å
340K95.4Very high87.1Confident76 Ų7667.6 Ų67.633%0.3338%0.378SS..EExtended strand (participates in β ladder)trans-111.7135.6163.1-175.9162.8178.6157.60108.8V365 V367 I432 D434K340-V365 PolarHBondContact N-O 2.9Å; K340-V365 PolarHBondContact O-N 3.03Å; K340-V367 HydrophobicContact CB-CG2 3.93Å; K340-I432 HydrophobicContact CB-CG2 3.69Å; K340-I432 HydrophobicContact CD-CG2 4.31Å; K340-I432 HydrophobicContact CG-CG2 4.13Å; K340-D434 IonicContact NZ-OD1 2.96Å; K340-D434 PolarHBondContact NZ-OD1 3.16Å; K340-D434 IonicContact NZ-OD2 2.77Å; K340-D434 PolarHBondContact NZ-OD2 3.41Å
341I94.4Very high86Confident14 Ų1462.3 Ų62.37%0.07235%0.354CS..EExtended strand (participates in β ladder)trans-86.2126.1174.8-50.4-175.1000109.2L210 L364 V395 L431L210-I341 HydrophobicContact CD1-CD1 4.46Å; L210-I341 HydrophobicContact CD1-CG2 4Å; L210-I341 HydrophobicContact CD2-CB 4.05Å; L210-I341 HydrophobicContact CD2-CD1 4.4Å; L210-I341 HydrophobicContact CD2-CG2 3.79Å; L210-I341 HydrophobicContact CG-CG2 4.45Å; I341-L364 HydrophobicContact CG1-CD2 3.87Å; I341-V395 HydrophobicContact CD1-CB 4.49Å; I341-V395 HydrophobicContact CD1-CG1 4.31Å; I341-V395 HydrophobicContact CD1-CG2 4.32Å; I341-V395 HydrophobicContact CG2-CG1 4.17Å; I341-V395 HydrophobicContact CG2-CG2 4.31Å; I341-L431 HydrophobicContact CD1-CD1 4.19Å; I341-L431 HydrophobicContact CD1-CD2 4.47Å; I341-L431 HydrophobicContact CG1-CD2 4.23Å
342G90.1Very high84.9Confident10 Ų1065.4 Ų65.410%0.10337%0.374CS..SBendtrans92.3122.8-177.400000111.5T360 Q361 K363G342-T360 WeakPolarHBondContact CA-O 3.17Å; G342-Q361 WeakPolarHBondContact CA-O 3.38Å; G342-K363 PolarHBondContact N-O 2.8Å
343A80.3Confident83.5Confident30 Ų3067.4 Ų67.425%0.24840%0.395CS..  trans-72153172.500000111S345 T360 V365A343-S345 PolarHBondContact O-N 3.34Å; A343-T360 PolarHBondContact N-O 2.78Å; A343-V365 HydrophobicContact CB-CG2 3.96Å
344P71.9Confident82.2Confident99 Ų9970.6 Ų70.664%0.64343%0.432SS*.  trans-54.3141.2170.4-21.632000110.8I346P344-I346 PolarHBondContact O-N 2.96Å
345S67.7Low81Confident113 Ų11369.1 Ų69.179%0.7942%0.416SS*.  trans-62.4112.5173.858.10000109.5A343A343-S345 PolarHBondContact O-N 3.34Å
346I68.4Low80Confident71 Ų7168.8 Ų68.836%0.36442%0.417SS..  trans-104.7146.8171.352.9175.3000109.4P344 C350 L351P344-I346 PolarHBondContact O-N 2.96Å; I346-C350 HydrophobicContact CB-CB 4.28Å; I346-C350 HydrophobicContact CD1-CB 4.34Å; I346-L351 HydrophobicContact CD1-CD2 3.95Å; I346-L351 HydrophobicContact CG1-CD2 3.89Å; I346-L351 HydrophobicContact CG1-CG 4.45Å
347P73.4Confident78.7Confident79 Ų7972.2 Ų72.251%0.51343%0.432SS..  trans-55150.1175.7-24.133.5000111.6S349 C350P347-S349 PolarHBondContact O-N 3.39Å; P347-S349 VanDerWaalsContact O-N 3.08Å; P347-C350 WeakPolarHBondContact O-CA 3.39Å; P347-C350 WeakPolarHBondContact O-CB 3.3Å; P347-C350 PolarHBondContact O-N 2.83Å
348D70.5Confident77.4Confident111 Ų11170.4 Ų70.459%0.59443%0.432SS*.G310 helixtrans-57.1-30.3-178.8-66.6-19.8000112.7C350 L351 Q357D348-C350 PolarHBondContact O-N 3.37Å; D348-L351 HydrophobicContact CB-CD1 4.49Å; D348-L351 PolarHBondContact O-N 2.92Å; D348-Q357 WeakPolarHBondContact OD1-CG 3.38Å; D348-Q357 PolarHBondContact OD1-NE2 2.85Å
349S76.4Confident76.2Confident110 Ų11074 Ų7477%0.76945%0.452SS*.G310 helixtrans-63.7-18.7174.858.70000114.3P347P347-S349 PolarHBondContact O-N 3.39Å; P347-S349 VanDerWaalsContact O-N 3.08Å
350C73.6Confident75.6Confident78 Ų7874 Ų7453%0.52745%0.453SS..G310 helixtrans-1040.2-178.8-59.80000112.5I346 P347 D348I346-C350 HydrophobicContact CB-CB 4.28Å; I346-C350 HydrophobicContact CD1-CB 4.34Å; P347-C350 WeakPolarHBondContact O-CA 3.39Å; P347-C350 WeakPolarHBondContact O-CB 3.3Å; P347-C350 PolarHBondContact O-N 2.83Å; D348-C350 PolarHBondContact O-N 3.37Å
351L73.8Confident75.1Confident28 Ų2872.7 Ų72.715%0.14745%0.449CS..SBendtrans-76.2140175.5-70.5170.5000110.5I346 D348 Q357 T360I346-L351 HydrophobicContact CD1-CD2 3.95Å; I346-L351 HydrophobicContact CG1-CD2 3.89Å; I346-L351 HydrophobicContact CG1-CG 4.45Å; D348-L351 HydrophobicContact CB-CD1 4.49Å; D348-L351 PolarHBondContact O-N 2.92Å; L351-Q357 HydrophobicContact CD1-CG 3.85Å; L351-T360 HydrophobicContact CD2-CG2 4.16Å
352P74.2Confident75Confident75 Ų7574.5 Ų74.549%0.48746%0.458SS..PPolyproline II helixtrans-57146.6170.7-23.934.4000111.7G354 M355P352-G354 PolarHBondContact O-N 3.41Å; P352-G354 VanDerWaalsContact O-N 3.13Å; P352-M355 HydrophobicContact CB-CG 4.17Å; P352-M355 HydrophobicContact CB-SD 4.05Å; P352-M355 HydrophobicContact CG-CG 4.46Å; P352-M355 HydrophobicContact CG-SD 3.8Å; P352-M355 PolarHBondContact O-N 3.05Å
353L69.2Low74.9Confident187 Ų18779.6 Ų79.698%0.97948%0.477SS*.THydrogen-bonded Turntrans-52.1120176.2-80.4153.7000110.6
354G69.1Low75.5Confident85 Ų8579.4 Ų79.488%0.87647%0.472SS*.THydrogen-bonded Turntrans90.5-0.7179.400000115.7P352P352-G354 PolarHBondContact O-N 3.41Å; P352-G354 VanDerWaalsContact O-N 3.13Å
355M72.3Confident76.4Confident69 Ų6976.7 Ų76.734%0.3445%0.453SS..  trans-97.4138.6172.8-68.3-16774.900111.9P352 D359 T360P352-M355 HydrophobicContact CB-CG 4.17Å; P352-M355 HydrophobicContact CB-SD 4.05Å; P352-M355 HydrophobicContact CG-CG 4.46Å; P352-M355 HydrophobicContact CG-SD 3.8Å; P352-M355 PolarHBondContact O-N 3.05Å; M355-D359 HydrophobicContact CE-CB 4.04Å; M355-T360 HydrophobicContact CE-CG2 4.09Å
356S73.4Confident77.7Confident47 Ų4775.8 Ų75.833%0.32945%0.445SS..  trans-97.7161.7169.370.50000111.3D358 D359S356-D358 PolarHBondContact O-N 3.44Å; S356-D358 PolarHBondContact OG-N 2.91Å; S356-D359 WeakPolarHBondContact CB-OD2 3.4Å; S356-D359 PolarHBondContact N-OD2 2.85Å; S356-D359 PolarHBondContact O-N 3.19Å; S356-D359 VanDerWaalsContact O-N 3.12Å; S356-D359 PolarHBondContact OG-N 3.34Å; S356-D359 PolarHBondContact OG-OD2 3.17Å
357Q68.4Low79Confident84 Ų8474.3 Ų74.339%0.39344%0.439SS..Hα-helixtrans-55.7-34.9171-70.7-168.15.700111.6D348 L351 D359 T360D348-Q357 WeakPolarHBondContact OD1-CG 3.38Å; D348-Q357 PolarHBondContact OD1-NE2 2.85Å; L351-Q357 HydrophobicContact CD1-CG 3.85Å; Q357-D359 VanDerWaalsContact C-N 3.26Å; Q357-D359 PolarHBondContact O-N 3.48Å; Q357-T360 PolarHBondContact O-N 3.13Å; Q357-T360 VanDerWaalsContact O-N 3.13Å; Q357-T360 PolarHBondContact O-OG1 2.77Å
358D69.7Low80Confident88 Ų8876.6 Ų76.647%0.47145%0.452SS..Hα-helixtrans-64.3-30.5-179.6-72.1-19.3000112.6K209 S356 T360K209-D358 PolarHBondContact NZ-O 3.46Å; S356-D358 PolarHBondContact O-N 3.44Å; S356-D358 PolarHBondContact OG-N 2.91Å; D358-T360 PolarHBondContact O-N 2.9Å
359D72.4Confident81.1Confident83 Ų8372.8 Ų72.844%0.44443%0.433SS..Hα-helixtrans-71-20.1178.8-60.2-46000112.4M355 S356 Q357M355-D359 HydrophobicContact CE-CB 4.04Å; S356-D359 WeakPolarHBondContact CB-OD2 3.4Å; S356-D359 PolarHBondContact N-OD2 2.85Å; S356-D359 PolarHBondContact O-N 3.19Å; S356-D359 VanDerWaalsContact O-N 3.12Å; S356-D359 PolarHBondContact OG-N 3.34Å; S356-D359 PolarHBondContact OG-OD2 3.17Å; Q357-D359 VanDerWaalsContact C-N 3.26Å; Q357-D359 PolarHBondContact O-N 3.48Å
360T82.4Confident81.9Confident17 Ų1768.5 Ų68.510%0.10441%0.407CS..Hα-helixtrans-90.8-19-178.171.60000113.3G342 A343 L351 M355 Q357 D358 L362 K363G342-T360 WeakPolarHBondContact CA-O 3.17Å; A343-T360 PolarHBondContact N-O 2.78Å; L351-T360 HydrophobicContact CD2-CG2 4.16Å; M355-T360 HydrophobicContact CE-CG2 4.09Å; Q357-T360 PolarHBondContact O-N 3.13Å; Q357-T360 VanDerWaalsContact O-N 3.13Å; Q357-T360 PolarHBondContact O-OG1 2.77Å; D358-T360 PolarHBondContact O-N 2.9Å; T360-L362 VanDerWaalsContact C-N 3.34Å; T360-L362 PolarHBondContact O-N 2.71Å; T360-K363 WeakPolarHBondContact O-CB 3.11Å; T360-K363 PolarHBondContact O-N 2.97Å
361Q86.2Confident82.9Confident49 Ų4973.5 Ų73.523%0.22941%0.414CS..THydrogen-bonded Turntrans-69-25.3-175.1-72.1173.7-1.100114.3N207 K209 G342N207-Q361 PolarHBondContact ND2-O 2.85Å; K209-Q361 HydrophobicContact CB-CB 4.34Å; K209-Q361 HydrophobicContact CD-CB 4.19Å; G342-Q361 WeakPolarHBondContact CA-O 3.38Å
362L90.6Very high83.9Confident51 Ų5178.7 Ų78.727%0.26744%0.442SS..THydrogen-bonded Turntrans-1053.6176.9-60-178.2000112.8K209 L210 T360 V395K209-L362 HydrophobicContact CD-CD1 4.35Å; K209-L362 HydrophobicContact CD-CG 4.21Å; K209-L362 HydrophobicContact CG-CD1 4.21Å; K209-L362 HydrophobicContact CG-CD2 4.25Å; K209-L362 HydrophobicContact CG-CG 4.15Å; L210-L362 HydrophobicContact CB-CD2 3.9Å; L210-L362 HydrophobicContact CD1-CD2 3.97Å; T360-L362 VanDerWaalsContact C-N 3.34Å; T360-L362 PolarHBondContact O-N 2.71Å; L362-V395 HydrophobicContact CD2-CG1 4.46Å
363K89.8Confident84.9Confident117 Ų11775.4 Ų75.451%0.50942%0.421SS..  trans-74137-176.6-172.2174-179.9176.60110.6G342 T360G342-K363 PolarHBondContact N-O 2.8Å; T360-K363 WeakPolarHBondContact O-CB 3.11Å; T360-K363 PolarHBondContact O-N 2.97Å
364L91.4Very high86.2Confident26 Ų2667.8 Ų67.814%0.13638%0.382CS..EExtended strand (participates in β ladder)trans-76.4122.3167.6-69.9173.4000110Y339 I341 R391 I394 V395 L431Y339-L364 HydrophobicContact CD1-CB 3.99Å; Y339-L364 HydrophobicContact CG-CB 4.41Å; Y339-L364 HydrophobicContact CG-CD2 4.4Å; I341-L364 HydrophobicContact CG1-CD2 3.87Å; L364-R391 HydrophobicContact CD1-CB 4.19Å; L364-R391 WeakPolarHBondContact CD1-O 3.37Å; L364-I394 HydrophobicContact CD1-CB 4.01Å; L364-I394 HydrophobicContact CD1-CD1 4.2Å; L364-I394 HydrophobicContact CD1-CG2 4.02Å; L364-I394 HydrophobicContact CD2-CG2 4.14Å; L364-V395 HydrophobicContact CD1-CG2 4.49Å; L364-V395 HydrophobicContact CD2-CG2 4.01Å; L364-V395 HydrophobicContact CG-CG2 3.98Å; L364-L431 HydrophobicContact CD2-CD2 4.11Å
365V92.6Very high87.6Confident42 Ų4267.9 Ų67.926%0.25536%0.356SS..EExtended strand (participates in β ladder)trans-107.8119.5175.1-178.70000108.4Y339 K340 A343Y339-V365 CarbonylContact C-O 3.33Å; Y339-V365 VanDerWaalsContact CA-O 3.28Å; Y339-V365 WeakPolarHBondContact CA-O 3.18Å; K340-V365 PolarHBondContact N-O 2.9Å; K340-V365 PolarHBondContact O-N 3.03Å; A343-V365 HydrophobicContact CB-CG2 3.96Å
366P94.1Very high88.8Confident94 Ų9465.4 Ų65.461%0.6134%0.344SS*.EExtended strand (participates in β ladder)trans-64.4139.3177.427.5-33.7000110.3Y339Y339-P366 HydrophobicContact CD1-CB 4.24Å; Y339-P366 HydrophobicContact CE1-CB 4.13Å
367V95.4Very high90Very high40 Ų4063.2 Ų63.224%0.24233%0.328CS..  trans-113.4115.1178.91790000108.1I338 K340 P369 I432I338-V367 HydrophobicContact CB-CB 4.21Å; I338-V367 HydrophobicContact CG2-CB 3.99Å; I338-V367 HydrophobicContact CG2-CG1 4.41Å; I338-V367 PolarHBondContact O-N 3.47Å; K340-V367 HydrophobicContact CB-CG2 3.93Å; V367-P369 WeakPolarHBondContact O-CD 3.15Å; V367-I432 HydrophobicContact CG2-CG2 4.07Å
368T94.4Very high91.4Very high128 Ų12859.2 Ų59.279%0.78531%0.31SS*.  trans-69.2124.6174.7-540000109.4G370T368-G370 PolarHBondContact O-N 3.47Å
369P94.5Very high92.8Very high30 Ų3055 Ų5520%0.19529%0.287CS..  trans-58.4128.7176.4-24.834.8000111.5F333 I338 V367F333-P369 HydrophobicContact CB-CB 4.44Å; F333-P369 HydrophobicContact CB-CG 4.14Å; F333-P369 HydrophobicContact CD1-CB 3.6Å; F333-P369 HydrophobicContact CD1-CG 4.08Å; F333-P369 HydrophobicContact CD2-CB 3.77Å; F333-P369 HydrophobicContact CD2-CG 4.27Å; F333-P369 HydrophobicContact CE1-CB 3.68Å; F333-P369 HydrophobicContact CE2-CB 3.86Å; F333-P369 HydrophobicContact CG-CB 3.67Å; F333-P369 HydrophobicContact CG-CG 3.91Å; F333-P369 HydrophobicContact CZ-CB 3.84Å; I338-P369 HydrophobicContact CD1-CG 4.11Å; V367-P369 WeakPolarHBondContact O-CD 3.15Å
370G93.6Very high94Very high21 Ų2151.2 Ų51.222%0.21627%0.267CS..  trans-157176.3-178.100000111.1T368 D372 L373T368-G370 PolarHBondContact O-N 3.47Å; G370-D372 PolarHBondContact O-N 3.49Å; G370-D372 VanDerWaalsContact O-N 3.1Å; G370-L373 WeakPolarHBondContact O-CB 3.31Å; G370-L373 PolarHBondContact O-N 2.83Å
371R93.9Very high94.7Very high182 Ų18250.5 Ų50.569%0.68726%0.263SS*.G310 helixtrans-57.3-28.7-176.7-67.1-175.9179.5-171.7-1.9113.1L373 T374 T410R371-L373 PolarHBondContact O-N 2.84Å; R371-T374 WeakPolarHBondContact O-CB 3.37Å; R371-T374 PolarHBondContact O-N 2.91Å; R371-T374 VanDerWaalsContact O-N 3.11Å; R371-T374 PolarHBondContact O-OG1 3.42Å; R371-T410 HydrophobicContact CG-CG2 4.21Å
372D94.2Very high95Very high138 Ų13849.6 Ų49.674%0.73826%0.262SS*.G310 helixtrans-66.2-16178.1-62.3-30.4000114G370 T374 H376G370-D372 PolarHBondContact O-N 3.49Å; G370-D372 VanDerWaalsContact O-N 3.1Å; D372-T374 PolarHBondContact O-N 2.82Å; D372-H376 PolarHBondContact O-CD2 2.83Å; D372-H376 PolarHBondContact O-NE2 2.85Å
373L95.9Very high95.1Very high5 Ų548.9 Ų48.93%0.02626%0.26CS..G310 helixtrans-72.4-16.3174.7-165.368.9000112.2I338 G370 R371 Y375 H376 L378 V405 V408 M415 I432I338-L373 HydrophobicContact CD1-CD1 4.23Å; I338-L373 HydrophobicContact CD1-CD2 3.49Å; I338-L373 VanDerWaalsContact CD1-CD2 3.49Å; G370-L373 WeakPolarHBondContact O-CB 3.31Å; G370-L373 PolarHBondContact O-N 2.83Å; R371-L373 PolarHBondContact O-N 2.84Å; L373-Y375 PolarHBondContact O-N 2.85Å; L373-H376 WeakPolarHBondContact O-CB 3.35Å; L373-H376 PolarHBondContact O-N 3.08Å; L373-H376 VanDerWaalsContact O-N 3.1Å; L373-L378 HydrophobicContact CD1-CD2 3.9Å; L373-V405 HydrophobicContact CD2-CG1 4.45Å; L373-V405 HydrophobicContact CD2-CG2 3.98Å; L373-V405 HydrophobicContact CG-CB 4.38Å; L373-V405 HydrophobicContact CG-CG1 4.35Å; L373-V405 HydrophobicContact CG-CG2 3.95Å; L373-V405 WeakPolarHBondContact O-CB 3.31Å; L373-V408 HydrophobicContact CB-CG2 4.18Å; L373-M415 HydrophobicContact CD2-SD 3.78Å; L373-I432 HydrophobicContact CD1-CD1 3.59Å; L373-I432 HydrophobicContact CD1-CG1 4.21Å
374T96.5Very high95Very high27 Ų2745.4 Ų45.417%0.16625%0.247CC..THydrogen-bonded Turntrans-58.2134.5-178.7-46.90000110.9R371 D372 H376R371-T374 WeakPolarHBondContact O-CB 3.37Å; R371-T374 PolarHBondContact O-N 2.91Å; R371-T374 VanDerWaalsContact O-N 3.11Å; R371-T374 PolarHBondContact O-OG1 3.42Å; D372-T374 PolarHBondContact O-N 2.82Å; T374-H376 PolarHBondContact O-N 3.41Å
375Y97.3Very high94.5Very high88 Ų8845 Ų4535%0.34525%0.245SC..THydrogen-bonded Turntrans67.8-0.9-176.6-48.3-57.7000115.9L373 V405 R436 F437 M438L373-Y375 PolarHBondContact O-N 2.85Å; Y375-V405 WeakPolarHBondContact CA-O 3.39Å; Y375-V405 PolarHBondContact N-O 2.92Å; Y375-R436 CarbonylContact O-C 3.59Å; Y375-R436 WeakPolarHBondContact O-CA 3.44Å; Y375-F437 PolarHBondContact O-N 2.83Å; Y375-M438 HydrophobicContact CD1-CB 4.29Å; Y375-M438 HydrophobicContact CD1-CE 4.49Å; Y375-M438 HydrophobicContact CD1-CG 4.19Å; Y375-M438 HydrophobicContact CD2-CE 3.82Å; Y375-M438 HydrophobicContact CE1-CE 4.26Å; Y375-M438 HydrophobicContact CE1-CG 4Å; Y375-M438 HydrophobicContact CE2-CE 3.54Å; Y375-M438 HydrophobicContact CG-CE 4.29Å
376H97.9Very high93.9Very high16 Ų1645.1 Ų45.17%0.07426%0.255CS..EExtended strand (participates in β ladder)trans-68.5137.9173.4-82-92.4000111.3D372 L373 T374 L378 V405 I432 M433 R436D372-H376 PolarHBondContact O-CD2 2.83Å; D372-H376 PolarHBondContact O-NE2 2.85Å; L373-H376 WeakPolarHBondContact O-CB 3.35Å; L373-H376 PolarHBondContact O-N 3.08Å; L373-H376 VanDerWaalsContact O-N 3.1Å; T374-H376 PolarHBondContact O-N 3.41Å; H376-L378 HydrophobicContact CB-CD2 4.3Å; H376-V405 PolarHBondContact O-N 2.87Å; H376-V405 VanDerWaalsContact O-N 3.1Å; H376-I432 HydrophobicContact CB-CD1 4.36Å; H376-I432 HydrophobicContact CB-CG1 4.15Å; H376-M433 PolarHBondContact CE1-O 2.87Å; H376-M433 PolarHBondContact ND1-O 2.77Å; H376-R436 PolarHBondContact NE2-NE 3.27Å; H376-R436 PolarHBondContact NE2-NH2 3.26Å
377V98.3Very high93.1Very high1 Ų145.7 Ų45.71%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-75.7131.2163.8-171.90000107.6I312 F402 I403 V404 M433 I435 F437I312-V377 HydrophobicContact CD1-CG2 4.19Å; V377-F402 HydrophobicContact CG1-CB 4.06Å; V377-F402 HydrophobicContact CG1-CD1 4.16Å; V377-F402 HydrophobicContact CG1-CG 4.49Å; V377-I403 WeakPolarHBondContact CA-O 3.4Å; V377-V404 HydrophobicContact CG2-CG2 4.06Å; V377-M433 HydrophobicContact CB-CB 4.39Å; V377-M433 HydrophobicContact CB-CG 4.41Å; V377-M433 HydrophobicContact CB-SD 3.83Å; V377-M433 HydrophobicContact CG1-SD 3.54Å; V377-M433 VanDerWaalsContact CG1-SD 3.54Å; V377-M433 VanDerWaalsContact O-CB 3.31Å; V377-M433 WeakPolarHBondContact O-CB 3.39Å; V377-M433 WeakPolarHBondContact O-CG 3.46Å; V377-M433 PolarHBondContact O-N 2.81Å; V377-I435 HydrophobicContact CG2-CB 4.48Å; V377-I435 HydrophobicContact CG2-CG2 4.07Å; V377-I435 PolarHBondContact N-O 3.25Å; V377-F437 HydrophobicContact CG2-CB 4.21Å
378L98.4Very high92.1Very high0 Ų050 Ų500%027%0.27CS..EExtended strand (participates in β ladder)trans-115134.2173.9-50.5-177.7000109.3I338 L373 H376 F402 I403 V405 L430 L431 I432I338-L378 HydrophobicContact CD1-CD1 4.35Å; L373-L378 HydrophobicContact CD1-CD2 3.9Å; H376-L378 HydrophobicContact CB-CD2 4.3Å; L378-F402 CarbonylContact O-C 3.51Å; L378-F402 VanDerWaalsContact O-CA 3.3Å; L378-F402 WeakPolarHBondContact O-CA 3.34Å; L378-I403 HydrophobicContact CB-CD1 4.41Å; L378-I403 HydrophobicContact CB-CG1 3.83Å; L378-I403 HydrophobicContact CD1-CD1 4.39Å; L378-I403 HydrophobicContact CG-CG1 4.49Å; L378-I403 PolarHBondContact N-O 3.2Å; L378-I403 PolarHBondContact O-N 2.84Å; L378-V405 HydrophobicContact CD1-CG2 3.57Å; L378-V405 HydrophobicContact CG-CG2 4.04Å; L378-L430 HydrophobicContact CD1-CB 4.48Å; L378-L430 HydrophobicContact CD1-CD1 3.86Å; L378-L431 CarbonylContact C-O 3.49Å; L378-L431 WeakPolarHBondContact CA-O 3.44Å; L378-I432 HydrophobicContact CD2-CB 3.88Å; L378-I432 HydrophobicContact CD2-CG1 3.77Å
379S98.4Very high91.2Very high0 Ų050 Ų500%027%0.265CS..EExtended strand (participates in β ladder)trans-86.7135.5169.4-43.80000109.9H198 F402 L430 L431H198-S379 PolarHBondContact ND1-OG 3.05Å; S379-F402 WeakPolarHBondContact OG-CD1 3.44Å; S379-F402 WeakPolarHBondContact OG-CE1 3.49Å; S379-L430 CarbonylContact O-C 3.46Å; S379-L430 VanDerWaalsContact O-CA 3.31Å; S379-L430 WeakPolarHBondContact O-CA 3.36Å; S379-L431 PolarHBondContact N-O 2.91Å; S379-L431 PolarHBondContact O-N 2.91Å
380V97.9Very high90.4Very high4 Ų449.4 Ų49.42%0.02426%0.263CS..EExtended strand (participates in β ladder)trans-90.1107.4174.8-173.80000107.7V399 C400 G401 I403 P426 R427 L430V380-V399 CarbonylContact O-C 3.53Å; V380-V399 WeakPolarHBondContact O-CA 3.49Å; V380-V399 WeakPolarHBondContact O-CB 3.25Å; V380-C400 HydrophobicContact CB-CB 4.4Å; V380-C400 HydrophobicContact CG1-CB 4.36Å; V380-C400 PolarHBondContact O-N 3.12Å; V380-G401 PolarHBondContact N-O 2.97Å; V380-I403 HydrophobicContact CG2-CG1 4.45Å; V380-I403 HydrophobicContact CG2-CG2 4.11Å; V380-P426 HydrophobicContact CG1-CG 3.9Å; V380-R427 HydrophobicContact CG1-CB 3.81Å; V380-L430 HydrophobicContact CB-CD2 4.22Å; V380-L430 HydrophobicContact CG1-CD2 4.21Å; V380-L430 HydrophobicContact CG2-CD2 3.82Å
381S96.8Very high89.6Confident1 Ų152.8 Ų52.81%0.00727%0.269CS..EExtended strand (participates in β ladder)trans-59.6144.3-179.9175.90000110.6V383 R427 T429S381-V383 VanDerWaalsContact CB-O 3.31Å; S381-V383 WeakPolarHBondContact CB-O 3.3Å; S381-V383 PolarHBondContact OG-N 3.28Å; S381-V383 VanDerWaalsContact OG-N 3.13Å; S381-V383 PolarHBondContact OG-O 3.34Å; S381-R427 VanDerWaalsContact O-CB 3.25Å; S381-R427 WeakPolarHBondContact O-CB 3.21Å; S381-R427 WeakPolarHBondContact O-CG 3.34Å; S381-T429 WeakPolarHBondContact CB-O 3.37Å; S381-T429 PolarHBondContact N-O 3.07Å
382S94.2Very high88.9Confident30 Ų3051 Ų5121%0.2127%0.266CS..SBendtrans-75-15.9171.661.60000113.9P398 R427S382-P398 WeakPolarHBondContact CB-O 3.31Å; S382-P398 PolarHBondContact N-O 3.43Å; S382-P398 VanDerWaalsContact N-O 3.11Å; S382-P398 PolarHBondContact OG-O 3.1Å; S382-R427 PolarHBondContact O-NE 3.05Å; S382-R427 PolarHBondContact O-NH2 3.33Å
383V92.1Very high88.5Confident36 Ų3646.6 Ų46.622%0.21825%0.246CC..SBendtrans-113.2132.7178.8179.80000109.1S381 I394 S397S381-V383 VanDerWaalsContact CB-O 3.31Å; S381-V383 WeakPolarHBondContact CB-O 3.3Å; S381-V383 PolarHBondContact OG-N 3.28Å; S381-V383 VanDerWaalsContact OG-N 3.13Å; S381-V383 PolarHBondContact OG-O 3.34Å; V383-I394 HydrophobicContact CB-CG1 4.18Å; V383-I394 HydrophobicContact CG1-CG1 4.16Å; V383-S397 VanDerWaalsContact CG2-OG 3.29Å; V383-S397 WeakPolarHBondContact CG2-OG 3.44Å
384D87.5Confident88.3Confident45 Ų4546.4 Ų46.424%0.24125%0.245CC..  trans-84.6147.9172.4-71.5-55.5000111.4G386 R427 H428 T429D384-G386 PolarHBondContact O-N 2.79Å; D384-R427 WeakPolarHBondContact OD2-CD 3.47Å; D384-R427 IonicContact OD2-CZ 3.84Å; D384-R427 IonicContact OD2-NE 2.73Å; D384-R427 IonicContact OD2-NH1 3.72Å; D384-R427 PolarHBondContact OD2-NH1 3.47Å; D384-H428 PolarHBondContact OD1-N 3.12Å; D384-T429 WeakPolarHBondContact CA-OG1 3.41Å; D384-T429 PolarHBondContact OD1-N 2.93Å
385D80.1Confident88.1Confident17 Ų1745.6 Ų45.69%0.09124%0.24CC..  trans-62.1131.8173172.254.4000111.1R337 Y339 R391 I394 T429R337-D385 WeakPolarHBondContact CD-OD2 3.13Å; R337-D385 IonicContact CZ-OD2 3.54Å; R337-D385 IonicContact NE-OD2 3.61Å; R337-D385 PolarHBondContact NH1-O 2.8Å; R337-D385 IonicContact NH1-OD2 2.8Å; R337-D385 PolarHBondContact NH1-OD2 3.06Å; Y339-D385 HydrophobicContact CE2-CB 4.21Å; Y339-D385 PolarHBondContact OH-OD2 3.06Å; D385-R391 WeakPolarHBondContact OD1-CG 3.34Å; D385-R391 IonicContact OD1-CZ 2.68Å; D385-R391 IonicContact OD1-NE 3.79Å; D385-R391 PolarHBondContact OD1-NE 2.8Å; D385-R391 IonicContact OD1-NH2 2.8Å; D385-R391 IonicContact OD2-NH2 3.12Å; D385-I394 HydrophobicContact CB-CD1 4.11Å; D385-T429 PolarHBondContact N-OG1 2.83Å
386G80.1Confident87.9Confident45 Ų4544.3 Ų44.346%0.46424%0.237SC..  trans-149.1-122-17400000110.9D384D384-G386 PolarHBondContact O-N 2.79Å
387D77.8Confident87.7Confident105 Ų10544.4 Ų44.456%0.56124%0.24SC*.SBendtrans-72.8176.6171.958.318.7000112.4D389 A390 R391D387-D389 PolarHBondContact O-N 2.66Å; D387-D389 PolarHBondContact OD1-N 3.48Å; D387-A390 WeakPolarHBondContact O-CB 3.49Å; D387-A390 PolarHBondContact O-N 3.25Å; D387-A390 VanDerWaalsContact OD1-CB 3.32Å; D387-A390 WeakPolarHBondContact OD1-CB 3.47Å; D387-A390 PolarHBondContact OD1-N 3.31Å; D387-R391 PolarHBondContact O-N 2.94Å; D387-R391 VanDerWaalsContact O-N 3.08Å
388E73.9Confident87.6Confident131 Ų13146.2 Ų46.261%0.61225%0.251SS*.Hα-helixtrans-61.7-30.1-179.6-72.2-64.5126.900112.6R391 K392E388-R391 WeakPolarHBondContact O-CB 3.28Å; E388-R391 PolarHBondContact O-N 3.41Å; E388-R391 IonicContact OE1-CZ 2.71Å; E388-R391 IonicContact OE1-NH1 2.83Å; E388-R391 PolarHBondContact OE1-NH1 2.72Å; E388-K392 PolarHBondContact O-N 2.95Å; E388-K392 VanDerWaalsContact O-N 3.1Å
389D75.8Confident87.6Confident127 Ų12747 Ų4768%0.67926%0.256SS*.Hα-helixtrans-70.3-41.4176-72.1-31.5000111.4D387 R391 K392 S393D387-D389 PolarHBondContact O-N 2.66Å; D387-D389 PolarHBondContact OD1-N 3.48Å; D389-R391 VanDerWaalsContact C-N 3.29Å; D389-R391 PolarHBondContact O-N 2.8Å; D389-K392 PolarHBondContact O-N 2.83Å; D389-S393 WeakPolarHBondContact O-CB 3.31Å; D389-S393 PolarHBondContact O-N 3.06Å
390A78.4Confident87.5Confident18 Ų1850.4 Ų50.415%0.14928%0.279CS..Hα-helixtrans-60.2-38.9172.100000111.8D387 S393 I394D387-A390 WeakPolarHBondContact O-CB 3.49Å; D387-A390 PolarHBondContact O-N 3.25Å; D387-A390 VanDerWaalsContact OD1-CB 3.32Å; D387-A390 WeakPolarHBondContact OD1-CB 3.47Å; D387-A390 PolarHBondContact OD1-N 3.31Å; A390-S393 WeakPolarHBondContact O-CB 3.47Å; A390-S393 PolarHBondContact O-N 3.31Å; A390-I394 WeakPolarHBondContact O-CG1 3.38Å; A390-I394 PolarHBondContact O-N 2.84Å
391R77.1Confident87.5Confident92 Ų9250.6 Ų50.635%0.34728%0.282SS..Hα-helixtrans-62.9-42.4175.9-73.4176.3178.1170.81.4113.1L364 D385 D387 E388 D389 S393 I394L364-R391 HydrophobicContact CD1-CB 4.19Å; L364-R391 WeakPolarHBondContact CD1-O 3.37Å; D385-R391 WeakPolarHBondContact OD1-CG 3.34Å; D385-R391 IonicContact OD1-CZ 2.68Å; D385-R391 IonicContact OD1-NE 3.79Å; D385-R391 PolarHBondContact OD1-NE 2.8Å; D385-R391 IonicContact OD1-NH2 2.8Å; D385-R391 IonicContact OD2-NH2 3.12Å; D387-R391 PolarHBondContact O-N 2.94Å; D387-R391 VanDerWaalsContact O-N 3.08Å; E388-R391 WeakPolarHBondContact O-CB 3.28Å; E388-R391 PolarHBondContact O-N 3.41Å; E388-R391 IonicContact OE1-CZ 2.71Å; E388-R391 IonicContact OE1-NH1 2.83Å; E388-R391 PolarHBondContact OE1-NH1 2.72Å; D389-R391 VanDerWaalsContact C-N 3.29Å; D389-R391 PolarHBondContact O-N 2.8Å; R391-S393 VanDerWaalsContact C-N 3.3Å; R391-I394 PolarHBondContact O-N 3.26Å
392K79Confident87.5Confident144 Ų14450.7 Ų50.763%0.62628%0.283SS*.Hα-helixtrans-64.9-39.9174.4-166.5178.2179.6-1770111.1E388 D389 I394 V395E388-K392 PolarHBondContact O-N 2.95Å; E388-K392 VanDerWaalsContact O-N 3.1Å; D389-K392 PolarHBondContact O-N 2.83Å; K392-I394 VanDerWaalsContact C-N 3.33Å; K392-I394 PolarHBondContact O-N 2.68Å; K392-V395 PolarHBondContact O-N 3.24Å
393S86.1Confident87.7Confident46 Ų4649.4 Ų49.432%0.32227%0.273SS..Hα-helixtrans-62.8-34178-172.50000113.3D389 A390 R391 V395 E396 S397D389-S393 WeakPolarHBondContact O-CB 3.31Å; D389-S393 PolarHBondContact O-N 3.06Å; A390-S393 WeakPolarHBondContact O-CB 3.47Å; A390-S393 PolarHBondContact O-N 3.31Å; R391-S393 VanDerWaalsContact C-N 3.3Å; S393-V395 VanDerWaalsContact C-N 3.26Å; S393-V395 PolarHBondContact O-N 2.9Å; S393-E396 CarbonylContact O-C 3.58Å; S393-E396 PolarHBondContact O-N 2.81Å; S393-S397 WeakPolarHBondContact O-CB 3.38Å; S393-S397 PolarHBondContact O-N 3.41Å; S393-S397 PolarHBondContact O-OG 2.83Å; S393-S397 PolarHBondContact OG-OG 2.98Å
394I91.3Very high88Confident2 Ų247.8 Ų47.81%0.0126%0.263CS..Hα-helixtrans-56-39.3178-73.9161.4000112.3L364 V383 D385 A390 R391 K392 E396 T429 L431L364-I394 HydrophobicContact CD1-CB 4.01Å; L364-I394 HydrophobicContact CD1-CD1 4.2Å; L364-I394 HydrophobicContact CD1-CG2 4.02Å; L364-I394 HydrophobicContact CD2-CG2 4.14Å; V383-I394 HydrophobicContact CB-CG1 4.18Å; V383-I394 HydrophobicContact CG1-CG1 4.16Å; D385-I394 HydrophobicContact CB-CD1 4.11Å; A390-I394 WeakPolarHBondContact O-CG1 3.38Å; A390-I394 PolarHBondContact O-N 2.84Å; R391-I394 PolarHBondContact O-N 3.26Å; K392-I394 VanDerWaalsContact C-N 3.33Å; K392-I394 PolarHBondContact O-N 2.68Å; I394-E396 PolarHBondContact O-N 2.82Å; I394-T429 HydrophobicContact CD1-CG2 3.76Å; I394-T429 HydrophobicContact CG1-CG2 4.34Å; I394-T429 HydrophobicContact CG2-CG2 4.44Å; I394-L431 HydrophobicContact CG2-CD1 4.37Å; I394-L431 HydrophobicContact CG2-CD2 3.91Å
395V91.9Very high88.5Confident10 Ų1045.6 Ų45.66%0.06125%0.252CS..Hα-helixtrans-67.3-30.1179.7178.50000111.7L210 L214 I341 L362 L364 K392 S393L210-V395 HydrophobicContact CD1-CG1 3.73Å; L214-V395 WeakPolarHBondContact CD2-O 3.48Å; I341-V395 HydrophobicContact CD1-CB 4.49Å; I341-V395 HydrophobicContact CD1-CG1 4.31Å; I341-V395 HydrophobicContact CD1-CG2 4.32Å; I341-V395 HydrophobicContact CG2-CG1 4.17Å; I341-V395 HydrophobicContact CG2-CG2 4.31Å; L362-V395 HydrophobicContact CD2-CG1 4.46Å; L364-V395 HydrophobicContact CD1-CG2 4.49Å; L364-V395 HydrophobicContact CD2-CG2 4.01Å; L364-V395 HydrophobicContact CG-CG2 3.98Å; K392-V395 PolarHBondContact O-N 3.24Å; S393-V395 VanDerWaalsContact C-N 3.26Å; S393-V395 PolarHBondContact O-N 2.9Å
396E92.6Very high89.3Confident61 Ų6146.4 Ų46.429%0.28526%0.258SS..Hα-helixtrans-103.20-171.7-53.6-171-173.600112.8Y197 K213 S393 I394Y197-E396 VanDerWaalsContact CE1-O 3.25Å; Y197-E396 WeakPolarHBondContact CE1-O 3.4Å; K213-E396 VanDerWaalsContact CE-CG 3.45Å; K213-E396 WeakPolarHBondContact CE-OE1 3.12Å; K213-E396 VanDerWaalsContact CE-OE2 3.3Å; K213-E396 WeakPolarHBondContact CE-OE2 3.49Å; K213-E396 IonicContact NZ-OE1 3.74Å; K213-E396 PolarHBondContact NZ-OE1 3.03Å; K213-E396 IonicContact NZ-OE2 3.63Å; K213-E396 PolarHBondContact NZ-OE2 3.1Å; S393-E396 CarbonylContact O-C 3.58Å; S393-E396 PolarHBondContact O-N 2.81Å; I394-E396 PolarHBondContact O-N 2.82Å
397S94Very high90.1Very high17 Ų1748.5 Ų48.512%0.11926%0.258CS..SBendtrans-100.7149.2-173.8-71.10000112.1Y197 V383 S393Y197-S397 WeakPolarHBondContact CD1-O 3.25Å; Y197-S397 VanDerWaalsContact CE1-C 3.49Å; V383-S397 VanDerWaalsContact CG2-OG 3.29Å; V383-S397 WeakPolarHBondContact CG2-OG 3.44Å; S393-S397 WeakPolarHBondContact O-CB 3.38Å; S393-S397 PolarHBondContact O-N 3.41Å; S393-S397 PolarHBondContact O-OG 2.83Å; S393-S397 PolarHBondContact OG-OG 2.98Å
398P96.6Very high91.1Very high39 Ų3944.1 Ų44.125%0.25324%0.235SC..BIsolated β-bridgetrans-68.6168.9173.630.5-35.1000111.3L195 V196 Y197 S382L195-P398 HydrophobicContact CD1-CB 3.63Å; L195-P398 HydrophobicContact CD1-CG 3.98Å; V196-P398 CarbonylContact O-C 3.54Å; V196-P398 WeakPolarHBondContact O-CA 3.37Å; V196-P398 WeakPolarHBondContact O-CB 3.38Å; Y197-P398 HydrophobicContact CE1-CB 4.23Å; S382-P398 WeakPolarHBondContact CB-O 3.31Å; S382-P398 PolarHBondContact N-O 3.43Å; S382-P398 VanDerWaalsContact N-O 3.11Å; S382-P398 PolarHBondContact OG-O 3.1Å
399V97.4Very high92.2Very high17 Ų1741 Ų4110%0.10322%0.222CC..EExtended strand (participates in β ladder)trans-104.2148.6177.7-58.80000110.8V196 H198 V380 G401 F402V196-V399 HydrophobicContact CB-CG2 4.11Å; V196-V399 HydrophobicContact CG1-CG2 4.06Å; V196-V399 PolarHBondContact O-N 3.39Å; H198-V399 HydrophobicContact CB-CG1 3.88Å; V380-V399 CarbonylContact O-C 3.53Å; V380-V399 WeakPolarHBondContact O-CA 3.49Å; V380-V399 WeakPolarHBondContact O-CB 3.25Å; V399-G401 VanDerWaalsContact C-N 3.29Å; V399-F402 HydrophobicContact CG2-CE1 4.29Å; V399-F402 HydrophobicContact CG2-CE2 4.08Å; V399-F402 HydrophobicContact CG2-CZ 3.67Å
400C96.7Very high93.2Very high71 Ų7137.3 Ų37.348%0.4821%0.205SC..EExtended strand (participates in β ladder)trans-72-27.1172.1-65.60000112.2V380 P426V380-C400 HydrophobicContact CB-CB 4.4Å; V380-C400 HydrophobicContact CG1-CB 4.36Å; V380-C400 PolarHBondContact O-N 3.12Å; C400-P426 HydrophobicContact CB-CG 4.19Å
401G97.3Very high94Very high9 Ų945 Ų459%0.09324%0.238CC..EExtended strand (participates in β ladder)trans158.9-164.3-176.800000111.6Y315 V380 V399Y315-G401 WeakPolarHBondContact OH-CA 3.17Å; V380-G401 PolarHBondContact N-O 2.97Å; V399-G401 VanDerWaalsContact C-N 3.29Å
402F98.3Very high95Very high3 Ų343.4 Ų43.41%0.01324%0.244CC..EExtended strand (participates in β ladder)trans-128.8148.5-174.7-53.2-90.9000111.4S169 V170 T173 V196 Y315 V377 L378 S379 V399 P420 M433S169-F402 WeakPolarHBondContact OG-CE2 3.2Å; V170-F402 HydrophobicContact CG1-CD2 4.26Å; V170-F402 HydrophobicContact CG1-CG 4.44Å; V170-F402 HydrophobicContact CG2-CD1 3.53Å; V170-F402 HydrophobicContact CG2-CD2 3.68Å; V170-F402 HydrophobicContact CG2-CE1 3.5Å; V170-F402 HydrophobicContact CG2-CE2 3.7Å; V170-F402 HydrophobicContact CG2-CG 3.63Å; V170-F402 HydrophobicContact CG2-CZ 3.62Å; T173-F402 HydrophobicContact CG2-CE1 3.79Å; T173-F402 HydrophobicContact CG2-CE2 4.34Å; T173-F402 HydrophobicContact CG2-CZ 3.39Å; V196-F402 HydrophobicContact CG1-CE2 4.15Å; V196-F402 HydrophobicContact CG1-CZ 3.84Å; Y315-F402 HydrophobicContact CE1-CB 3.95Å; Y315-F402 HydrophobicContact CE1-CD2 4.47Å; Y315-F402 WeakPolarHBondContact CE1-O 3.35Å; Y315-F402 AromaticContact CE2-CD2 3.94Å; Y315-F402 HydrophobicContact CE2-CD2 3.94Å; Y315-F402 AromaticContact CZ-CD2 3.89Å; Y315-F402 PolarHBondContact OH-N 3.11Å; V377-F402 HydrophobicContact CG1-CB 4.06Å; V377-F402 HydrophobicContact CG1-CD1 4.16Å; V377-F402 HydrophobicContact CG1-CG 4.49Å; L378-F402 CarbonylContact O-C 3.51Å; L378-F402 VanDerWaalsContact O-CA 3.3Å; L378-F402 WeakPolarHBondContact O-CA 3.34Å; S379-F402 WeakPolarHBondContact OG-CD1 3.44Å; S379-F402 WeakPolarHBondContact OG-CE1 3.49Å; V399-F402 HydrophobicContact CG2-CE1 4.29Å; V399-F402 HydrophobicContact CG2-CE2 4.08Å; V399-F402 HydrophobicContact CG2-CZ 3.67Å; F402-P420 VanDerWaalsContact O-CD 3.31Å; F402-P420 WeakPolarHBondContact O-CD 3.25Å; F402-M433 HydrophobicContact CD1-SD 3.86Å; F402-M433 HydrophobicContact CE1-CE 4.2Å; F402-M433 HydrophobicContact CE1-SD 3.96Å
403I98.3Very high95.9Very high2 Ų241.5 Ų41.51%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-130.4159.7171.463.1177.1000109.1V377 L378 V380 V417 L418 L425 L430V377-I403 WeakPolarHBondContact CA-O 3.4Å; L378-I403 HydrophobicContact CB-CD1 4.41Å; L378-I403 HydrophobicContact CB-CG1 3.83Å; L378-I403 HydrophobicContact CD1-CD1 4.39Å; L378-I403 HydrophobicContact CG-CG1 4.49Å; L378-I403 PolarHBondContact N-O 3.2Å; L378-I403 PolarHBondContact O-N 2.84Å; V380-I403 HydrophobicContact CG2-CG1 4.45Å; V380-I403 HydrophobicContact CG2-CG2 4.11Å; I403-V417 HydrophobicContact CD1-CB 4.44Å; I403-V417 HydrophobicContact CD1-CG1 4.19Å; I403-L418 VanDerWaalsContact CA-O 3.28Å; I403-L418 WeakPolarHBondContact CA-O 3.42Å; I403-L418 WeakPolarHBondContact CB-O 3.47Å; I403-L425 HydrophobicContact CD1-CD1 4.15Å; I403-L425 HydrophobicContact CD1-CD2 4.18Å; I403-L425 HydrophobicContact CG2-CD2 4.05Å; I403-L430 HydrophobicContact CD1-CD1 4.11Å; I403-L430 HydrophobicContact CD1-CD2 4.26Å
404V98.2Very high96.4Very high2 Ų240.3 Ų40.31%0.01223%0.228CC..EExtended strand (participates in β ladder)trans-119.6131174.1173.70000109.6F316 V377 T406 V417 L418 F437F316-V404 HydrophobicContact CE2-CG2 3.59Å; F316-V404 HydrophobicContact CZ-CB 4.43Å; F316-V404 HydrophobicContact CZ-CG2 3.71Å; V377-V404 HydrophobicContact CG2-CG2 4.06Å; V404-T406 PolarHBondContact O-N 3.23Å; V404-V417 CarbonylContact O-C 3.57Å; V404-V417 VanDerWaalsContact O-CA 3.25Å; V404-V417 WeakPolarHBondContact O-CA 3.4Å; V404-L418 HydrophobicContact CB-CB 4.31Å; V404-L418 PolarHBondContact N-O 2.98Å; V404-L418 PolarHBondContact O-N 3.3Å; V404-F437 HydrophobicContact CG1-CB 4.5Å; V404-F437 HydrophobicContact CG1-CD1 4.39Å; V404-F437 HydrophobicContact CG2-CB 4.23Å; V404-F437 HydrophobicContact CG2-CD1 4.13Å
405V97.9Very high96.7Very high0 Ų040.2 Ų40.20%023%0.227CC..EExtended strand (participates in β ladder)trans-78.5117.6172.4179.60000108.6L373 Y375 H376 L378 V408 M415 V417L373-V405 HydrophobicContact CD2-CG1 4.45Å; L373-V405 HydrophobicContact CD2-CG2 3.98Å; L373-V405 HydrophobicContact CG-CB 4.38Å; L373-V405 HydrophobicContact CG-CG1 4.35Å; L373-V405 HydrophobicContact CG-CG2 3.95Å; L373-V405 WeakPolarHBondContact O-CB 3.31Å; Y375-V405 WeakPolarHBondContact CA-O 3.39Å; Y375-V405 PolarHBondContact N-O 2.92Å; H376-V405 PolarHBondContact O-N 2.87Å; H376-V405 VanDerWaalsContact O-N 3.1Å; L378-V405 HydrophobicContact CD1-CG2 3.57Å; L378-V405 HydrophobicContact CG-CG2 4.04Å; V405-V408 HydrophobicContact CG1-CG2 3.55Å; V405-M415 HydrophobicContact CG1-CB 4.19Å; V405-M415 HydrophobicContact CG2-SD 4.01Å; V405-V417 HydrophobicContact CG2-CG1 4.39Å
406T97.1Very high97Very high34 Ų3444.3 Ų44.321%0.20925%0.245CC..EExtended strand (participates in β ladder)trans-97-27.2-177.655.70000112.5V404 K416 L418V404-T406 PolarHBondContact O-N 3.23Å; T406-K416 PolarHBondContact N-O 2.8Å; T406-K416 WeakPolarHBondContact OG1-CG 3.42Å; T406-K416 PolarHBondContact OG1-O 2.98Å; T406-L418 HydrophobicContact CG2-CB 4.06Å
407N97.2Very high97.2Very high89 Ų8941.4 Ų41.448%0.47623%0.231SC..EExtended strand (participates in β ladder)trans-156.6152.9177.4-165.7-83.7000110.5M415 K416N407-M415 CarbonylContact O-C 3.57Å; N407-M415 WeakPolarHBondContact O-CA 3.45Å; N407-K416 HydrophobicContact CB-CB 4.04Å; N407-K416 PolarHBondContact N-O 3.39Å; N407-K416 PolarHBondContact O-N 2.91Å
408V97.9Very high97.4Very high12 Ų1241 Ų417%0.07323%0.228CC..EExtended strand (participates in β ladder)trans-132.4119.8177.1-1760000109.6F333 L373 V405 T410 M415F333-V408 HydrophobicContact CE1-CG1 4.05Å; F333-V408 HydrophobicContact CZ-CG1 3.58Å; L373-V408 HydrophobicContact CB-CG2 4.18Å; V405-V408 HydrophobicContact CG1-CG2 3.55Å; V408-T410 HydrophobicContact CG1-CG2 4.3Å; V408-M415 HydrophobicContact CG2-CB 4.34Å
409D97.6Very high97.4Very high66 Ų6639.4 Ų39.435%0.35322%0.217SC..EExtended strand (participates in β ladder)trans-104.2103.8171.8-171.2-24000109.7Q411 A412 Q413 V414D409-Q411 VanDerWaalsContact C-N 3.33Å; D409-Q411 WeakPolarHBondContact OD1-CA 3.37Å; D409-Q411 WeakPolarHBondContact OD1-CB 3.36Å; D409-Q411 PolarHBondContact OD1-N 3.1Å; D409-A412 HydrophobicContact CB-CB 4.19Å; D409-A412 PolarHBondContact OD1-N 2.83Å; D409-Q413 WeakPolarHBondContact O-CA 3.28Å; D409-Q413 PolarHBondContact O-N 2.97Å; D409-V414 HydrophobicContact CB-CG2 3.98Å; D409-V414 PolarHBondContact N-O 3.27Å; D409-V414 PolarHBondContact O-N 2.85Å; D409-V414 VanDerWaalsContact O-N 3.08Å
410T96.1Very high97.4Very high50 Ų5041.2 Ų41.231%0.30723%0.229SC..THydrogen-bonded Turntrans-75-20.617953.90000113.3R371 V408 Q413R371-T410 HydrophobicContact CG-CG2 4.21Å; V408-T410 HydrophobicContact CG1-CG2 4.3Å; T410-Q413 PolarHBondContact O-NE2 2.75Å
411Q96.2Very high97.3Very high180 Ų18039.9 Ų39.984%0.84122%0.223SC*.THydrogen-bonded Turntrans-78.1-46.2176.5-66.9-176.3-8.200110.1D409 Q413D409-Q411 VanDerWaalsContact C-N 3.33Å; D409-Q411 WeakPolarHBondContact OD1-CA 3.37Å; D409-Q411 WeakPolarHBondContact OD1-CB 3.36Å; D409-Q411 PolarHBondContact OD1-N 3.1Å; Q411-Q413 VanDerWaalsContact C-N 3.28Å; Q411-Q413 PolarHBondContact O-N 3.38Å
412A96.9Very high97.2Very high58 Ų5843 Ų4348%0.47924%0.241SC..THydrogen-bonded Turntrans-79-8.4176.100000113.7D409 V414D409-A412 HydrophobicContact CB-CB 4.19Å; D409-A412 PolarHBondContact OD1-N 2.83Å; A412-V414 VanDerWaalsContact C-N 3.29Å; A412-V414 HydrophobicContact CB-CG2 3.86Å; A412-V414 PolarHBondContact O-N 2.78Å
413Q97.6Very high96.9Very high104 Ų10452.1 Ų52.149%0.48628%0.276SS..THydrogen-bonded Turntrans56.741.4-177.9-63.2-78.1-68.700112.6F333 D409 T410 Q411F333-Q413 HydrophobicContact CD2-CB 3.9Å; F333-Q413 HydrophobicContact CD2-CG 4.36Å; F333-Q413 VanDerWaalsContact CD2-OE1 3.31Å; F333-Q413 HydrophobicContact CE2-CB 4.29Å; F333-Q413 HydrophobicContact CG-CB 4.35Å; F333-Q413 WeakPolarHBondContact CG-O 3.25Å; F333-Q413 PolarHBondContact N-O 2.77Å; D409-Q413 WeakPolarHBondContact O-CA 3.28Å; D409-Q413 PolarHBondContact O-N 2.97Å; T410-Q413 PolarHBondContact O-NE2 2.75Å; Q411-Q413 VanDerWaalsContact C-N 3.28Å; Q411-Q413 PolarHBondContact O-N 3.38Å
414V97.9Very high96.7Very high20 Ų2057.3 Ų57.312%0.12131%0.31CS..EExtended strand (participates in β ladder)trans-129.4151.4179.1-63.90000111.2V331 R332 F333 D409 A412V331-V414 CarbonylContact O-C 3.5Å; V331-V414 WeakPolarHBondContact O-CA 3.34Å; R332-V414 HydrophobicContact CG-CG1 3.99Å; F333-V414 WeakPolarHBondContact CE1-O 3.38Å; D409-V414 HydrophobicContact CB-CG2 3.98Å; D409-V414 PolarHBondContact N-O 3.27Å; D409-V414 PolarHBondContact O-N 2.85Å; D409-V414 VanDerWaalsContact O-N 3.08Å; A412-V414 VanDerWaalsContact C-N 3.29Å; A412-V414 HydrophobicContact CB-CG2 3.86Å; A412-V414 PolarHBondContact O-N 2.78Å
415M97.6Very high96.5Very high0 Ų058 Ų580%031%0.313CS..EExtended strand (participates in β ladder)trans-120139.1166.958-178.9-174.800110E330 V331 F333 V336 I338 L373 V405 N407 V408 V417 L430E330-M415 CarbonylContact C-O 3.51Å; E330-M415 WeakPolarHBondContact CA-O 3.35Å; V331-M415 HydrophobicContact CB-CE 3.99Å; V331-M415 HydrophobicContact CB-CG 4.15Å; V331-M415 HydrophobicContact CG1-CE 3.84Å; V331-M415 PolarHBondContact N-O 3.26Å; V331-M415 PolarHBondContact O-N 2.96Å; F333-M415 HydrophobicContact CE1-CB 4.05Å; F333-M415 HydrophobicContact CE1-CG 4.42Å; V336-M415 HydrophobicContact CG2-CE 3.69Å; I338-M415 HydrophobicContact CD1-SD 4.44Å; L373-M415 HydrophobicContact CD2-SD 3.78Å; V405-M415 HydrophobicContact CG1-CB 4.19Å; V405-M415 HydrophobicContact CG2-SD 4.01Å; N407-M415 CarbonylContact O-C 3.57Å; N407-M415 WeakPolarHBondContact O-CA 3.45Å; V408-M415 HydrophobicContact CG2-CB 4.34Å; M415-V417 HydrophobicContact CE-CG1 4.24Å; M415-V417 HydrophobicContact CG-CG1 4.13Å; M415-V417 HydrophobicContact SD-CG1 4.34Å; M415-L430 HydrophobicContact CE-CD1 3.92Å
416K97.5Very high96.2Very high97 Ų9761.9 Ų61.942%0.42234%0.339SS..EExtended strand (participates in β ladder)trans-89.2126.9171.5-170.7178.1178.21750109S328 T406 N407S328-K416 WeakPolarHBondContact OG-CE 3.45Å; T406-K416 PolarHBondContact N-O 2.8Å; T406-K416 WeakPolarHBondContact OG1-CG 3.42Å; T406-K416 PolarHBondContact OG1-O 2.98Å; N407-K416 HydrophobicContact CB-CB 4.04Å; N407-K416 PolarHBondContact N-O 3.39Å; N407-K416 PolarHBondContact O-N 2.91Å
417V97.6Very high96.1Very high0 Ų065 Ų650%035%0.346CS..EExtended strand (participates in β ladder)trans-117.3151.5-177.6-56.20000111.5S328 F329 V331 I403 V404 V405 M415S328-V417 VanDerWaalsContact CA-O 3.27Å; S328-V417 WeakPolarHBondContact CA-O 3.14Å; S328-V417 PolarHBondContact OG-O 2.61Å; F329-V417 HydrophobicContact CD2-CG2 4.01Å; F329-V417 HydrophobicContact CE1-CG2 4.5Å; F329-V417 HydrophobicContact CE2-CG2 3.73Å; F329-V417 HydrophobicContact CZ-CG2 4.01Å; F329-V417 PolarHBondContact N-O 3.44Å; F329-V417 PolarHBondContact O-N 3.42Å; V331-V417 HydrophobicContact CG2-CG1 4.23Å; V331-V417 HydrophobicContact CG2-CG2 3.82Å; I403-V417 HydrophobicContact CD1-CB 4.44Å; I403-V417 HydrophobicContact CD1-CG1 4.19Å; V404-V417 CarbonylContact O-C 3.57Å; V404-V417 VanDerWaalsContact O-CA 3.25Å; V404-V417 WeakPolarHBondContact O-CA 3.4Å; V405-V417 HydrophobicContact CG2-CG1 4.39Å; M415-V417 HydrophobicContact CE-CG1 4.24Å; M415-V417 HydrophobicContact CG-CG1 4.13Å; M415-V417 HydrophobicContact SD-CG1 4.34Å
418L97.9Very high95.9Very high9 Ų965.5 Ų65.55%0.04735%0.346CS..EExtended strand (participates in β ladder)trans-98.7127.2161.7-176.970.4000107.7F316 Y317 P326 F327 I403 V404 T406F316-L418 HydrophobicContact CB-CD2 4.24Å; F316-L418 HydrophobicContact CD1-CD2 3.97Å; F316-L418 HydrophobicContact CD1-CG 3.93Å; F316-L418 HydrophobicContact CD2-CD2 4.12Å; F316-L418 HydrophobicContact CE1-CD2 4.36Å; F316-L418 HydrophobicContact CE1-CG 4.19Å; F316-L418 HydrophobicContact CG-CD2 3.85Å; F316-L418 HydrophobicContact CG-CG 4.32Å; Y317-L418 HydrophobicContact CE2-CD2 4.32Å; P326-L418 HydrophobicContact CB-CD1 3.76Å; P326-L418 HydrophobicContact CB-CG 4.27Å; P326-L418 HydrophobicContact CG-CD1 3.85Å; F327-L418 WeakPolarHBondContact O-CA 3.31Å; I403-L418 VanDerWaalsContact CA-O 3.28Å; I403-L418 WeakPolarHBondContact CA-O 3.42Å; I403-L418 WeakPolarHBondContact CB-O 3.47Å; V404-L418 HydrophobicContact CB-CB 4.31Å; V404-L418 PolarHBondContact N-O 2.98Å; V404-L418 PolarHBondContact O-N 3.3Å; T406-L418 HydrophobicContact CG2-CB 4.06Å
419S97.3Very high95.9Very high4 Ų465 Ų653%0.02834%0.343CS..EExtended strand (participates in β ladder)trans-136.6139.7-174.1174.70000110.7P326 F327 A421P326-S419 CarbonylContact C-O 3.58Å; P326-S419 WeakPolarHBondContact CA-O 3.45Å; P326-S419 WeakPolarHBondContact CB-O 3.27Å; F327-S419 PolarHBondContact N-O 3.1Å; F327-S419 PolarHBondContact O-N 3.21Å; S419-A421 VanDerWaalsContact CB-O 3.31Å; S419-A421 WeakPolarHBondContact CB-O 3.45Å; S419-A421 PolarHBondContact O-N 2.71Å; S419-A421 PolarHBondContact OG-N 2.69Å; S419-A421 PolarHBondContact OG-O 3.11Å
420P95.8Very high95.9Very high56 Ų5661.8 Ų61.836%0.36433%0.326SS..SBendtrans-69.3-18.1174.532.9-38.4000112.5Y315 F402Y315-P420 HydrophobicContact CE1-CB 4.36Å; Y315-P420 HydrophobicContact CE1-CG 4.01Å; F402-P420 VanDerWaalsContact O-CD 3.31Å; F402-P420 WeakPolarHBondContact O-CD 3.25Å
421A94.9Very high96Very high43 Ų4359.5 Ų59.536%0.35531%0.312SS..SBendtrans-120.8152.1-179.100000111.3F327 S419F327-A421 VanDerWaalsContact CD2-C 3.4Å; S419-A421 VanDerWaalsContact CB-O 3.31Å; S419-A421 WeakPolarHBondContact CB-O 3.45Å; S419-A421 PolarHBondContact O-N 2.71Å; S419-A421 PolarHBondContact OG-N 2.69Å; S419-A421 PolarHBondContact OG-O 3.11Å
422P94.8Very high96Very high73 Ų7351.9 Ų51.947%0.47428%0.276SS..PPolyproline II helixtrans-67.6166.1177.229.9-35.2000111.7F327F327-P422 HydrophobicContact CD1-CB 3.9Å; F327-P422 HydrophobicContact CD2-CB 4.25Å; F327-P422 HydrophobicContact CE1-CB 3.86Å; F327-P422 HydrophobicContact CE2-CB 4.22Å; F327-P422 HydrophobicContact CE2-CG 4.34Å; F327-P422 HydrophobicContact CG-CB 4.1Å; F327-P422 HydrophobicContact CZ-CB 4.02Å; F327-P422 HydrophobicContact CZ-CG 4.26Å
423R92.8Very high96.1Very high196 Ų19649.1 Ų49.174%0.7425%0.254SS*.SBendtrans-62.3151.2172.171.2-178.1-171.5-171.91111.7F329F329-R423 HydrophobicContact CD1-CB 4.22Å; F329-R423 HydrophobicContact CD2-CB 3.89Å; F329-R423 HydrophobicContact CE1-CB 4.2Å; F329-R423 HydrophobicContact CE2-CB 3.88Å; F329-R423 HydrophobicContact CG-CB 4.06Å; F329-R423 HydrophobicContact CZ-CB 4.03Å
424P93.5Very high96Very high111 Ų11147.9 Ų47.972%0.72125%0.25SS*.SBendcis-75.7164.1-4.233-35.5000112.4
425L93.9Very high95.9Very high15 Ų1547.6 Ų47.68%0.07925%0.248CC..PPolyproline II helixtrans-58.1144.9167.6-67176.7000109.5F329 V331 V336 I403 R427F329-L425 HydrophobicContact CE2-CD2 4.29Å; F329-L425 HydrophobicContact CE2-CG 4.4Å; F329-L425 HydrophobicContact CZ-CD2 4Å; V331-L425 HydrophobicContact CG1-CD1 4.27Å; V331-L425 HydrophobicContact CG2-CD1 4.14Å; V331-L425 HydrophobicContact CG2-CG 4.47Å; V336-L425 HydrophobicContact CG1-CD1 4.04Å; I403-L425 HydrophobicContact CD1-CD1 4.15Å; I403-L425 HydrophobicContact CD1-CD2 4.18Å; I403-L425 HydrophobicContact CG2-CD2 4.05Å; L425-R427 PolarHBondContact O-N 3.48Å
426P92.3Very high95.9Very high83 Ų8354.4 Ų54.454%0.53927%0.273SS..SBendtrans-67.6-24-176.526.5-33.6000112.6V380 C400V380-P426 HydrophobicContact CG1-CG 3.9Å; C400-P426 HydrophobicContact CB-CG 4.19Å
427R94.1Very high95.8Very high98 Ų9850 Ų5037%0.3725%0.254SS..  trans-145.5159.7-179-63.8-68-172.71693.6110.3V380 S381 S382 D384 L425V380-R427 HydrophobicContact CG1-CB 3.81Å; S381-R427 VanDerWaalsContact O-CB 3.25Å; S381-R427 WeakPolarHBondContact O-CB 3.21Å; S381-R427 WeakPolarHBondContact O-CG 3.34Å; S382-R427 PolarHBondContact O-NE 3.05Å; S382-R427 PolarHBondContact O-NH2 3.33Å; D384-R427 WeakPolarHBondContact OD2-CD 3.47Å; D384-R427 IonicContact OD2-CZ 3.84Å; D384-R427 IonicContact OD2-NE 2.73Å; D384-R427 IonicContact OD2-NH1 3.72Å; D384-R427 PolarHBondContact OD2-NH1 3.47Å; L425-R427 PolarHBondContact O-N 3.48Å
428H94Very high95.5Very high100 Ų10054.6 Ų54.646%0.46328%0.277SS..SBendtrans-101.4-7.2-174.8-61.8-75.5000113D335 V336 R337 D384D335-H428 PolarHBondContact O-ND1 2.73Å; V336-H428 CarbonylContact C-O 3.52Å; V336-H428 WeakPolarHBondContact CA-O 3.49Å; V336-H428 WeakPolarHBondContact CB-O 3.38Å; R337-H428 PolarHBondContact N-O 3.01Å; D384-H428 PolarHBondContact OD1-N 3.12Å
429T96.8Very high94.6Very high1 Ų156.6 Ų56.61%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-101.8121.7179.2-59.20000111.4Y339 S381 D384 D385 I394Y339-T429 HydrophobicContact CD2-CG2 3.93Å; Y339-T429 HydrophobicContact CE2-CG2 3.96Å; S381-T429 WeakPolarHBondContact CB-O 3.37Å; S381-T429 PolarHBondContact N-O 3.07Å; D384-T429 WeakPolarHBondContact CA-OG1 3.41Å; D384-T429 PolarHBondContact OD1-N 2.93Å; D385-T429 PolarHBondContact N-OG1 2.83Å; I394-T429 HydrophobicContact CD1-CG2 3.76Å; I394-T429 HydrophobicContact CG1-CG2 4.34Å; I394-T429 HydrophobicContact CG2-CG2 4.44Å
430L97.9Very high93.1Very high0 Ų062.7 Ų62.70%032%0.318CS..EExtended strand (participates in β ladder)trans-118.7142.6-175.2-55.2-179.5000110.8V336 R337 I338 Y339 L378 S379 V380 I403 M415V336-L430 HydrophobicContact CB-CD1 3.99Å; V336-L430 HydrophobicContact CB-CG 4.37Å; V336-L430 HydrophobicContact CG1-CD1 4.01Å; V336-L430 HydrophobicContact CG1-CG 4.46Å; V336-L430 HydrophobicContact CG2-CD1 4.16Å; R337-L430 PolarHBondContact O-N 3.19Å; I338-L430 CarbonylContact C-O 3.43Å; I338-L430 WeakPolarHBondContact CA-O 3.4Å; I338-L430 HydrophobicContact CG1-CB 4.28Å; I338-L430 HydrophobicContact CG1-CD1 4.37Å; Y339-L430 PolarHBondContact N-O 3.23Å; L378-L430 HydrophobicContact CD1-CB 4.48Å; L378-L430 HydrophobicContact CD1-CD1 3.86Å; S379-L430 CarbonylContact O-C 3.46Å; S379-L430 VanDerWaalsContact O-CA 3.31Å; S379-L430 WeakPolarHBondContact O-CA 3.36Å; V380-L430 HydrophobicContact CB-CD2 4.22Å; V380-L430 HydrophobicContact CG1-CD2 4.21Å; V380-L430 HydrophobicContact CG2-CD2 3.82Å; I403-L430 HydrophobicContact CD1-CD1 4.11Å; I403-L430 HydrophobicContact CD1-CD2 4.26Å; M415-L430 HydrophobicContact CE-CD1 3.92Å
431L98.1Very high90.8Very high2 Ų272.4 Ų72.41%0.0135%0.354CS..EExtended strand (participates in β ladder)trans-113.3120.4175.7-58.9173.7000109.6H198 Y339 I341 L364 L378 S379 I394H198-L431 HydrophobicContact CB-CD1 3.67Å; Y339-L431 CarbonylContact O-C 3.55Å; Y339-L431 WeakPolarHBondContact O-CA 3.01Å; I341-L431 HydrophobicContact CD1-CD1 4.19Å; I341-L431 HydrophobicContact CD1-CD2 4.47Å; I341-L431 HydrophobicContact CG1-CD2 4.23Å; L364-L431 HydrophobicContact CD2-CD2 4.11Å; L378-L431 CarbonylContact C-O 3.49Å; L378-L431 WeakPolarHBondContact CA-O 3.44Å; S379-L431 PolarHBondContact N-O 2.91Å; S379-L431 PolarHBondContact O-N 2.91Å; I394-L431 HydrophobicContact CG2-CD1 4.37Å; I394-L431 HydrophobicContact CG2-CD2 3.91Å
432I97.8Very high90.6Very high20 Ų2073.9 Ų73.910%0.10335%0.354CS..EExtended strand (participates in β ladder)trans-74.9132.3178.8-168.7174.7000110.9H198 I338 Y339 K340 V367 L373 H376 L378H198-I432 PolarHBondContact CE1-O 2.86Å; I338-I432 HydrophobicContact CG2-CB 4.17Å; Y339-I432 PolarHBondContact O-N 2.86Å; K340-I432 HydrophobicContact CB-CG2 3.69Å; K340-I432 HydrophobicContact CD-CG2 4.31Å; K340-I432 HydrophobicContact CG-CG2 4.13Å; V367-I432 HydrophobicContact CG2-CG2 4.07Å; L373-I432 HydrophobicContact CD1-CD1 3.59Å; L373-I432 HydrophobicContact CD1-CG1 4.21Å; H376-I432 HydrophobicContact CB-CD1 4.36Å; H376-I432 HydrophobicContact CB-CG1 4.15Å; L378-I432 HydrophobicContact CD2-CB 3.88Å; L378-I432 HydrophobicContact CD2-CG1 3.77Å
433M97.7Very high90.4Very high0 Ų073.9 Ų73.90%035%0.348CS..EExtended strand (participates in β ladder)trans-95.9149.9171.8-52.2-17884.900109.8V170 P171 G172 T173 G200 H376 V377 F402 I435V170-M433 HydrophobicContact CG2-CE 4.44Å; P171-M433 WeakPolarHBondContact O-CE 3.41Å; G172-M433 WeakPolarHBondContact O-CE 3.45Å; T173-M433 HydrophobicContact CG2-CE 4.31Å; G200-M433 CarbonylContact O-C 3.54Å; H376-M433 PolarHBondContact CE1-O 2.87Å; H376-M433 PolarHBondContact ND1-O 2.77Å; V377-M433 HydrophobicContact CB-CB 4.39Å; V377-M433 HydrophobicContact CB-CG 4.41Å; V377-M433 HydrophobicContact CB-SD 3.83Å; V377-M433 HydrophobicContact CG1-SD 3.54Å; V377-M433 VanDerWaalsContact CG1-SD 3.54Å; V377-M433 VanDerWaalsContact O-CB 3.31Å; V377-M433 WeakPolarHBondContact O-CB 3.39Å; V377-M433 WeakPolarHBondContact O-CG 3.46Å; V377-M433 PolarHBondContact O-N 2.81Å; F402-M433 HydrophobicContact CD1-SD 3.86Å; F402-M433 HydrophobicContact CE1-CE 4.2Å; F402-M433 HydrophobicContact CE1-SD 3.96Å; M433-I435 HydrophobicContact CB-CB 4.14Å; M433-I435 HydrophobicContact CB-CG1 4.48Å; M433-I435 HydrophobicContact CE-CD1 4.06Å; M433-I435 PolarHBondContact O-N 3.08Å
434D95.8Very high90.3Very high77 Ų7767.2 Ų67.241%0.41233%0.326SS..EExtended strand (participates in β ladder)trans-73.811168.9-68.4-24.5000112.3G200 K340G200-D434 PolarHBondContact O-N 3.45Å; K340-D434 IonicContact NZ-OD1 2.96Å; K340-D434 PolarHBondContact NZ-OD1 3.16Å; K340-D434 IonicContact NZ-OD2 2.77Å; K340-D434 PolarHBondContact NZ-OD2 3.41Å
435I96.7Very high90.1Very high14 Ų1464.6 Ų64.67%0.07230%0.303CS..EExtended strand (participates in β ladder)trans-103.1134-177.3-60.6173.2000108.6P171 T202 I312 V377 M433P171-I435 HydrophobicContact CB-CD1 4.04Å; P171-I435 WeakPolarHBondContact O-CD1 3.5Å; T202-I435 HydrophobicContact CG2-CD1 3.86Å; T202-I435 HydrophobicContact CG2-CG1 3.97Å; I312-I435 HydrophobicContact CD1-CG2 3.72Å; V377-I435 HydrophobicContact CG2-CB 4.48Å; V377-I435 HydrophobicContact CG2-CG2 4.07Å; V377-I435 PolarHBondContact N-O 3.25Å; M433-I435 HydrophobicContact CB-CB 4.14Å; M433-I435 HydrophobicContact CB-CG1 4.48Å; M433-I435 HydrophobicContact CE-CD1 4.06Å; M433-I435 PolarHBondContact O-N 3.08Å
436R96Very high89.9Confident143 Ų14367.7 Ų67.754%0.5432%0.317SS..EExtended strand (participates in β ladder)trans-118.3144.6178.7-65.1-178.2177-174-4.6110.8Y375 H376Y375-R436 CarbonylContact O-C 3.59Å; Y375-R436 WeakPolarHBondContact O-CA 3.44Å; H376-R436 PolarHBondContact NE2-NE 3.27Å; H376-R436 PolarHBondContact NE2-NH2 3.26Å
437F95.3Very high89.7Confident4 Ų466.7 Ų66.72%0.01830%0.302CS..  trans-135.5124.4175.1178.7-104000109.3I312 R313 Y375 V377 V404 D439I312-F437 HydrophobicContact CB-CD2 3.83Å; I312-F437 HydrophobicContact CB-CE2 4.23Å; I312-F437 HydrophobicContact CB-CG 4.21Å; I312-F437 HydrophobicContact CD1-CB 4.18Å; I312-F437 HydrophobicContact CD1-CD2 4.39Å; I312-F437 HydrophobicContact CG2-CB 3.82Å; I312-F437 HydrophobicContact CG2-CD1 3.93Å; I312-F437 HydrophobicContact CG2-CD2 3.64Å; I312-F437 HydrophobicContact CG2-CE1 4.41Å; I312-F437 HydrophobicContact CG2-CE2 4.16Å; I312-F437 HydrophobicContact CG2-CG 3.51Å; R313-F437 HydrophobicContact CB-CE2 4.2Å; R313-F437 HydrophobicContact CB-CZ 4.12Å; Y375-F437 PolarHBondContact O-N 2.83Å; V377-F437 HydrophobicContact CG2-CB 4.21Å; V404-F437 HydrophobicContact CG1-CB 4.5Å; V404-F437 HydrophobicContact CG1-CD1 4.39Å; V404-F437 HydrophobicContact CG2-CB 4.23Å; V404-F437 HydrophobicContact CG2-CD1 4.13Å; F437-D439 HydrophobicContact CE1-CB 3.96Å
438M91.5Very high89.4Confident97 Ų9764.4 Ų64.448%0.47830%0.297SS..  trans-108.5116.5173.5-172178.2-64.100107.9Y375 M440Y375-M438 HydrophobicContact CD1-CB 4.29Å; Y375-M438 HydrophobicContact CD1-CE 4.49Å; Y375-M438 HydrophobicContact CD1-CG 4.19Å; Y375-M438 HydrophobicContact CD2-CE 3.82Å; Y375-M438 HydrophobicContact CE1-CE 4.26Å; Y375-M438 HydrophobicContact CE1-CG 4Å; Y375-M438 HydrophobicContact CE2-CE 3.54Å; Y375-M438 HydrophobicContact CG-CE 4.29Å; M438-M440 VanDerWaalsContact C-N 3.3Å; M438-M440 HydrophobicContact CG-CG 4Å; M438-M440 PolarHBondContact O-N 3.47Å; M438-M440 HydrophobicContact SD-CG 4.1Å; M438-M440 HydrophobicContact SD-SD 4.31Å
439D79.9Confident89Confident52 Ų5261.7 Ų61.728%0.27828%0.284SS..  trans-76.385.7175.1-17032.2000108.9Y317 F437 K441Y317-D439 VanDerWaalsContact OH-CG 3.28Å; Y317-D439 PolarHBondContact OH-OD1 2.96Å; Y317-D439 PolarHBondContact OH-OD2 2.82Å; F437-D439 HydrophobicContact CE1-CB 3.96Å; D439-K441 PolarHBondContact O-N 2.95Å
440M65.3Low88.4Confident132 Ų13266.8 Ų66.865%0.6531%0.308SS*.  trans-81.2112170.9-59.9-154.3-59.500107.6M438M438-M440 VanDerWaalsContact C-N 3.3Å; M438-M440 HydrophobicContact CG-CG 4Å; M438-M440 PolarHBondContact O-N 3.47Å; M438-M440 HydrophobicContact SD-CG 4.1Å; M438-M440 HydrophobicContact SD-SD 4.31Å
441K48.7Very low87.5Confident260 Ų26072.8 Ų72.8100%1.1334%0.335SS*.  trans-73.40173.3-83.9-169.7175.1-174.30112.3D439D439-K441 PolarHBondContact O-N 2.95Å

Retrieved 441 of 441 residues in 216.4 ms (Link to these results)