A0A060XCN0_ONCMY Loading...

Small ribosomal subunit protein mS25

AlphaFold DB , UniProt , Accession A0A060XCN0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene mrps25, Length 172 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M65.5Low90.4Very high232 Ų232122.6 Ų122.6100%1.14360%0.602SS**  0135.30-72.5-169.2-102.700109.1
2P83.8Confident90.9Very high126 Ų126116.3 Ų116.382%0.81858%0.575SS**PPolyproline II helixtrans-63.9145.9174.725.6-31.4000110.9K4P2-K4 PolarHBondContact O-N 3.06Å
3M91.8Very high91.4Very high98 Ų98115.8 Ų115.848%0.48358%0.576SS.*PPolyproline II helixtrans-65.1130.6178.8-61.2-147.6-43.900110.6P8 R11 T12M3-P8 HydrophobicContact CB-CB 3.69Å; M3-P8 HydrophobicContact CE-CB 3.59Å; M3-P8 WeakPolarHBondContact CE-O 3.32Å; M3-R11 HydrophobicContact CE-CB 4.2Å; M3-T12 HydrophobicContact CE-CG2 4.45Å
4K93.5Very high91.8Very high180 Ų180116.1 Ų116.178%0.78358%0.575SS**PPolyproline II helixtrans-68.2143.2178.6-63.1-176.9-179.9-1790112P2 R11P2-K4 PolarHBondContact O-N 3.06Å; K4-R11 PolarHBondContact O-NH1 3.28Å
5G92.4Very high92.2Very high58 Ų58111.1 Ų111.160%0.59855%0.547SS*.SBendtrans105.7154.4171.700000114.3P8G5-P8 WeakPolarHBondContact O-CD 3.29Å
6R91.6Very high92.5Very high199 Ų199106 Ų10675%0.75152%0.522SS*.SBendtrans-71.3134.6175.6-160.8-176.5174.8174.3-1.8109.9R10R6-R10 PolarHBondContact O-NH2 2.91Å
7F94.6Very high92.7Very high93 Ų93106 Ų10641%0.40852%0.521SS..SBendtrans54.663.7-172.9-58.8-80.4000112.9I9 R10 F49 F50F7-I9 PolarHBondContact O-N 3.15Å; F7-R10 HydrophobicContact CB-CG 4.36Å; F7-R10 PolarHBondContact O-N 3.08Å; F7-R10 PolarHBondContact O-NE 3.38Å; F7-F49 HydrophobicContact CB-CE1 4.34Å; F7-F49 AromaticContact CD2-CE1 3.78Å; F7-F49 HydrophobicContact CD2-CE1 3.78Å; F7-F49 HydrophobicContact CD2-CZ 4.2Å; F7-F49 HydrophobicContact CG-CE1 4.39Å; F7-F50 HydrophobicContact CD2-CZ 4.37Å; F7-F50 HydrophobicContact CE2-CZ 4.48Å; F7-F50 HydrophobicContact CG-CE1 4.31Å; F7-F50 HydrophobicContact CG-CZ 4.48Å
8P95.4Very high92.9Very high48 Ų48107.4 Ų107.431%0.31252%0.524SS..G310 helixtrans-65.1-22.9-177.927.2-33.8000112.8M3 G5 R10 R11M3-P8 HydrophobicContact CB-CB 3.69Å; M3-P8 HydrophobicContact CE-CB 3.59Å; M3-P8 WeakPolarHBondContact CE-O 3.32Å; G5-P8 WeakPolarHBondContact O-CD 3.29Å; P8-R10 PolarHBondContact O-N 2.89Å; P8-R11 WeakPolarHBondContact O-CB 3.33Å; P8-R11 PolarHBondContact O-N 3.29Å
9I94.8Very high92.9Very high103 Ų103102.2 Ų102.253%0.52850%0.5SS..G310 helixtrans-51.5-29.4175-169168.6000113.3F7 R11 T12 Y15F7-I9 PolarHBondContact O-N 3.15Å; I9-R11 PolarHBondContact O-N 3.03Å; I9-R11 VanDerWaalsContact O-N 3.07Å; I9-T12 PolarHBondContact O-N 3.28Å; I9-T12 VanDerWaalsContact O-N 3.14Å; I9-T12 PolarHBondContact O-OG1 2.9Å; I9-Y15 VanDerWaalsContact O-CB 3.23Å; I9-Y15 WeakPolarHBondContact O-CB 3.4Å
10R95.9Very high93Very high46 Ų46102.9 Ų102.917%0.17450%0.503CS..G310 helixtrans-64.8-14.3178.4-61.4179.9-63136.21.7114.2R6 F7 P8 Y15 F49 F50R6-R10 PolarHBondContact O-NH2 2.91Å; F7-R10 HydrophobicContact CB-CG 4.36Å; F7-R10 PolarHBondContact O-N 3.08Å; F7-R10 PolarHBondContact O-NE 3.38Å; P8-R10 PolarHBondContact O-N 2.89Å; R10-Y15 VanDerWaalsContact CA-CD1 3.48Å; R10-Y15 HydrophobicContact CB-CD1 4.11Å; R10-Y15 HydrophobicContact CB-CE1 3.93Å; R10-Y15 HydrophobicContact CG-CD1 4.42Å; R10-Y15 HydrophobicContact CG-CE1 3.89Å; R10-Y15 HydrophobicContact CG-CE2 4.38Å; R10-F49 WeakPolarHBondContact CD-O 3.47Å; R10-F49 PolarHBondContact NH1-O 2.79Å; R10-F49 VanDerWaalsContact NH2-CE2 3.27Å; R10-F50 VanDerWaalsContact CD-CD1 3.44Å; R10-F50 HydrophobicContact CG-CD1 4.05Å; R10-F50 HydrophobicContact CG-CE1 4.33Å
11R95.4Very high93.2Very high166 Ų16698.1 Ų98.163%0.62648%0.48SS*.G310 helixtrans-98.711.6-179.6-59.9171.359-165.7-2.5112.4M3 K4 P8 I9M3-R11 HydrophobicContact CE-CB 4.2Å; K4-R11 PolarHBondContact O-NH1 3.28Å; P8-R11 WeakPolarHBondContact O-CB 3.33Å; P8-R11 PolarHBondContact O-N 3.29Å; I9-R11 PolarHBondContact O-N 3.03Å; I9-R11 VanDerWaalsContact O-N 3.07Å
12T96.7Very high94.7Very high46 Ų4688.5 Ų88.528%0.28243%0.434SS..SBendtrans-94.3148175.768.80000110.9M3 I9 E14 Y15 L16M3-T12 HydrophobicContact CE-CG2 4.45Å; I9-T12 PolarHBondContact O-N 3.28Å; I9-T12 VanDerWaalsContact O-N 3.14Å; I9-T12 PolarHBondContact O-OG1 2.9Å; T12-E14 VanDerWaalsContact C-N 3.26Å; T12-E14 PolarHBondContact O-N 3.14Å; T12-Y15 PolarHBondContact O-N 3.45Å; T12-Y15 WeakPolarHBondContact OG1-CB 3.23Å; T12-Y15 PolarHBondContact OG1-N 3.4Å; T12-L16 WeakPolarHBondContact O-CG 3.31Å; T12-L16 PolarHBondContact O-N 2.9Å; T12-L16 VanDerWaalsContact O-N 3.17Å
13L97.2Very high95.4Very high111 Ų11182.6 Ų82.658%0.58140%0.395SS*.Hα-helixtrans-59.6-39.6175.5-72.1176.5000111.6Y15 L16 Q17 Y57L13-Y15 VanDerWaalsContact C-N 3.31Å; L13-Y15 PolarHBondContact O-N 2.85Å; L13-L16 PolarHBondContact O-N 3.08Å; L13-Q17 WeakPolarHBondContact O-CB 3.35Å; L13-Q17 VanDerWaalsContact O-CG 3.26Å; L13-Q17 WeakPolarHBondContact O-CG 3.44Å; L13-Q17 PolarHBondContact O-N 2.8Å; L13-Y57 HydrophobicContact CD2-CE2 4.11Å
14E97.1Very high95.6Very high120 Ų12081.6 Ų81.656%0.56139%0.388SS*.Hα-helixtrans-58-43.1177.5-167.7-166.1155.900111.8T12 K18T12-E14 VanDerWaalsContact C-N 3.26Å; T12-E14 PolarHBondContact O-N 3.14Å; E14-K18 WeakPolarHBondContact O-CG 3.38Å; E14-K18 PolarHBondContact O-N 3.12Å; E14-K18 WeakPolarHBondContact OE1-CE 3.48Å; E14-K18 IonicContact OE1-NZ 2.99Å; E14-K18 PolarHBondContact OE1-NZ 2.91Å
15Y96.9Very high95.7Very high41 Ų4178.6 Ų78.616%0.16138%0.381CS..Hα-helixtrans-65.9-43.3177.4-178.9-92.4000112.2I9 R10 T12 L13 Q17 K18 F50 Q54I9-Y15 VanDerWaalsContact O-CB 3.23Å; I9-Y15 WeakPolarHBondContact O-CB 3.4Å; R10-Y15 VanDerWaalsContact CA-CD1 3.48Å; R10-Y15 HydrophobicContact CB-CD1 4.11Å; R10-Y15 HydrophobicContact CB-CE1 3.93Å; R10-Y15 HydrophobicContact CG-CD1 4.42Å; R10-Y15 HydrophobicContact CG-CE1 3.89Å; R10-Y15 HydrophobicContact CG-CE2 4.38Å; T12-Y15 PolarHBondContact O-N 3.45Å; T12-Y15 WeakPolarHBondContact OG1-CB 3.23Å; T12-Y15 PolarHBondContact OG1-N 3.4Å; L13-Y15 VanDerWaalsContact C-N 3.31Å; L13-Y15 PolarHBondContact O-N 2.85Å; Y15-Q17 VanDerWaalsContact C-N 3.35Å; Y15-K18 PolarHBondContact O-N 3.23Å; Y15-F50 WeakPolarHBondContact OH-CB 3.34Å; Y15-F50 PolarHBondContact OH-O 3.38Å; Y15-Q54 HydrophobicContact CD1-CG 4.07Å; Y15-Q54 HydrophobicContact CE1-CG 3.7Å; Y15-Q54 PolarHBondContact O-NE2 3.41Å
16L97.6Very high96Very high29 Ų2981.3 Ų81.315%0.15237%0.373CS..Hα-helixtrans-67.2-36.6179.8-64.3174.2000111.9T12 L13 K18 G19 P53 Y57T12-L16 WeakPolarHBondContact O-CG 3.31Å; T12-L16 PolarHBondContact O-N 2.9Å; T12-L16 VanDerWaalsContact O-N 3.17Å; L13-L16 PolarHBondContact O-N 3.08Å; L16-K18 PolarHBondContact O-N 3.45Å; L16-G19 PolarHBondContact O-N 2.91Å; L16-P53 HydrophobicContact CD2-CB 3.87Å; L16-Y57 HydrophobicContact CB-CD1 3.8Å; L16-Y57 HydrophobicContact CB-CD2 3.94Å; L16-Y57 HydrophobicContact CB-CE1 4.23Å; L16-Y57 HydrophobicContact CB-CE2 4.33Å; L16-Y57 HydrophobicContact CB-CG 3.65Å; L16-Y57 HydrophobicContact CD1-CD2 3.78Å; L16-Y57 HydrophobicContact CD1-CE2 4.21Å; L16-Y57 HydrophobicContact CD1-CG 4.27Å; L16-Y57 HydrophobicContact CG-CD2 4.41Å; L16-Y57 HydrophobicContact CG-CG 4.42Å
17Q95.9Very high96.3Very high106 Ų10672 Ų7250%0.49534%0.338SS..Hα-helixtrans-69.7-29178-75.8175-14.400113.5L13 Y15 G19 Y57 K58L13-Q17 WeakPolarHBondContact O-CB 3.35Å; L13-Q17 VanDerWaalsContact O-CG 3.26Å; L13-Q17 WeakPolarHBondContact O-CG 3.44Å; L13-Q17 PolarHBondContact O-N 2.8Å; Y15-Q17 VanDerWaalsContact C-N 3.35Å; Q17-G19 PolarHBondContact O-N 3.3Å; Q17-Y57 HydrophobicContact CG-CE1 3.92Å; Q17-K58 WeakPolarHBondContact O-CE 3.48Å; Q17-K58 PolarHBondContact O-NZ 2.67Å
18K95.8Very high96.4Very high131 Ų13172.1 Ų72.157%0.5734%0.339SS*.THydrogen-bonded Turntrans-70.4-5.4176.1-75.6175.1-175.9173.60114.2E14 Y15 L16 E20E14-K18 WeakPolarHBondContact O-CG 3.38Å; E14-K18 PolarHBondContact O-N 3.12Å; E14-K18 WeakPolarHBondContact OE1-CE 3.48Å; E14-K18 IonicContact OE1-NZ 2.99Å; E14-K18 PolarHBondContact OE1-NZ 2.91Å; Y15-K18 PolarHBondContact O-N 3.23Å; L16-K18 PolarHBondContact O-N 3.45Å; K18-E20 PolarHBondContact O-N 2.93Å
19G94.3Very high96.5Very high8 Ų872.7 Ų72.78%0.08234%0.338CS..  trans-59.9125.7172.800000112.3L16 Q17 K58L16-G19 PolarHBondContact O-N 2.91Å; Q17-G19 PolarHBondContact O-N 3.3Å; G19-K58 VanDerWaalsContact O-CE 3.27Å; G19-K58 WeakPolarHBondContact O-CE 3.26Å
20E93.9Very high96.7Very high117 Ų11768.2 Ų68.255%0.54732%0.316SS..  trans-91.5-15.6-177-62.2-176.2-159.300114.2K18 V22 K103K18-E20 PolarHBondContact O-N 2.93Å; E20-V22 PolarHBondContact O-N 2.93Å; E20-K103 HydrophobicContact CB-CD 4.38Å; E20-K103 IonicContact OE2-NZ 2.67Å; E20-K103 PolarHBondContact OE2-NZ 3.21Å
21V97Very high96.8Very high3 Ų366.5 Ų66.52%0.01831%0.31CS..  trans-87.2106.3-176.4-179.40000108.8L23 I55 N59 T99 V102 K103V21-L23 HydrophobicContact CG1-CD2 4Å; V21-L23 HydrophobicContact CG1-CG 4.29Å; V21-I55 HydrophobicContact CB-CG1 4.07Å; V21-I55 HydrophobicContact CG1-CG1 4.29Å; V21-N59 PolarHBondContact O-OD1 2.85Å; V21-T99 HydrophobicContact CG2-CG2 3.61Å; V21-V102 HydrophobicContact CG1-CG1 4.07Å; V21-K103 HydrophobicContact CG2-CB 4.2Å
22V97.9Very high97Very high29 Ų2958.7 Ų58.718%0.17628%0.281CS..  trans-109.5107.6164.5-177.80000107.1E20 K58 G107 K108 L113E20-V22 PolarHBondContact O-N 2.93Å; V22-K58 HydrophobicContact CG2-CB 4.35Å; V22-K58 HydrophobicContact CG2-CD 4.45Å; V22-G107 CarbonylContact O-C 3.59Å; V22-G107 WeakPolarHBondContact O-CA 3.34Å; V22-K108 HydrophobicContact CG1-CD 4.01Å; V22-K108 HydrophobicContact CG1-CG 4.48Å; V22-K108 PolarHBondContact O-N 3.32Å; V22-L113 HydrophobicContact CB-CD2 4.04Å; V22-L113 HydrophobicContact CG1-CD2 4.05Å; V22-L113 HydrophobicContact CG2-CD2 4.15Å
23L97.7Very high97Very high3 Ų357.2 Ų57.22%0.01627%0.272CS..BIsolated β-bridgetrans-64.2149-179.3-62.3167.9000112.7V21 V27 V30 I55 N59 V62 F78 V102 L106V21-L23 HydrophobicContact CG1-CD2 4Å; V21-L23 HydrophobicContact CG1-CG 4.29Å; L23-V27 HydrophobicContact CB-CB 4.29Å; L23-V27 HydrophobicContact CB-CG2 4.36Å; L23-V27 HydrophobicContact CD1-CG1 4.06Å; L23-V30 HydrophobicContact CD1-CG2 4.17Å; L23-I55 HydrophobicContact CD1-CG2 4.25Å; L23-N59 HydrophobicContact CD1-CB 4.42Å; L23-N59 PolarHBondContact N-ND2 3.05Å; L23-N59 VanDerWaalsContact N-ND2 3.12Å; L23-N59 PolarHBondContact N-OD1 2.87Å; L23-V62 HydrophobicContact CD1-CG1 4.08Å; L23-V62 HydrophobicContact CD1-CG2 4.3Å; L23-F78 HydrophobicContact CD2-CE1 4.35Å; L23-V102 HydrophobicContact CD2-CG1 4.17Å; L23-L106 WeakPolarHBondContact CA-O 3.29Å; L23-L106 HydrophobicContact CD2-CB 4.19Å
24K97.1Very high97Very high76 Ų7653.2 Ų53.233%0.3325%0.249SC..  trans-60.1148.4169.2-69168.9-176.8167.40110.3R26 V27 I105 L106 G107 K108K24-R26 HydrophobicContact CB-CG 3.97Å; K24-R26 PolarHBondContact O-N 2.85Å; K24-V27 PolarHBondContact O-N 2.87Å; K24-I105 PolarHBondContact NZ-O 3.07Å; K24-L106 WeakPolarHBondContact CG-O 3.01Å; K24-L106 PolarHBondContact N-O 2.96Å; K24-G107 VanDerWaalsContact CE-O 3.23Å; K24-G107 WeakPolarHBondContact CE-O 3.45Å; K24-K108 HydrophobicContact CG-CG 4.47Å
25N95.6Very high97Very high118 Ų11848.5 Ų48.563%0.63123%0.228SC*.THydrogen-bonded Turntrans-59.9-23.6-175.8-63.4-11.9000114.2V27 K28 K108N25-V27 VanDerWaalsContact C-N 3.31Å; N25-V27 PolarHBondContact O-N 2.91Å; N25-K28 WeakPolarHBondContact O-CE 3.16Å; N25-K28 PolarHBondContact O-NZ 2.85Å; N25-K108 WeakPolarHBondContact OD1-CE 3.45Å; N25-K108 PolarHBondContact OD1-NZ 2.8Å
26R96.9Very high97Very high115 Ų11549 Ų4943%0.43424%0.235SC..THydrogen-bonded Turntrans-66.9-27.8176.857.5173.165.9169.2-0.6113.8K24 K28 L80 D81K24-R26 HydrophobicContact CB-CG 3.97Å; K24-R26 PolarHBondContact O-N 2.85Å; R26-K28 PolarHBondContact O-N 2.82Å; R26-L80 HydrophobicContact CG-CD2 4.19Å; R26-L80 CarbonylContact O-C 3.54Å; R26-L80 WeakPolarHBondContact O-CA 3.33Å; R26-D81 WeakPolarHBondContact CA-OD1 3.42Å; R26-D81 WeakPolarHBondContact CA-OD2 3.42Å; R26-D81 WeakPolarHBondContact CB-OD1 3.44Å; R26-D81 PolarHBondContact O-N 3.05Å
27V97.8Very high96.8Very high3 Ų354.8 Ų54.82%0.01826%0.261CS..EExtended strand (participates in β ladder)trans-72.9122.6-180-175.50000109.3L23 K24 N25 V30 V62 F78 L80 L106L23-V27 HydrophobicContact CB-CB 4.29Å; L23-V27 HydrophobicContact CB-CG2 4.36Å; L23-V27 HydrophobicContact CD1-CG1 4.06Å; K24-V27 PolarHBondContact O-N 2.87Å; N25-V27 VanDerWaalsContact C-N 3.31Å; N25-V27 PolarHBondContact O-N 2.91Å; V27-V30 HydrophobicContact CG1-CG2 3.97Å; V27-V62 HydrophobicContact CG1-CG1 4.3Å; V27-F78 HydrophobicContact CG1-CD1 3.98Å; V27-L80 HydrophobicContact CB-CD2 4.28Å; V27-L80 HydrophobicContact CG2-CD2 3.71Å; V27-L106 HydrophobicContact CG2-CB 4.21Å; V27-L106 HydrophobicContact CG2-CD1 4.27Å; V27-L106 HydrophobicContact CG2-CD2 3.99Å; V27-L106 HydrophobicContact CG2-CG 4.39Å
28K97.8Very high96.7Very high96 Ų9652.1 Ų52.142%0.41726%0.262SS..EExtended strand (participates in β ladder)trans-110.4-41.6179.7-58.5-53.8178.5-169.50113.2N25 R26 Q63 Y79 D81N25-K28 WeakPolarHBondContact O-CE 3.16Å; N25-K28 PolarHBondContact O-NZ 2.85Å; R26-K28 PolarHBondContact O-N 2.82Å; K28-Q63 PolarHBondContact O-N 3.28Å; K28-Y79 PolarHBondContact N-O 3.5Å; K28-D81 HydrophobicContact CG-CB 4.18Å
29I98.2Very high96.5Very high59 Ų5954.6 Ų54.630%0.30328%0.276SS..EExtended strand (participates in β ladder)trans-130.9138.2-177-52.5168.5000109.3T31 Q63 F78 Y79I29-T31 HydrophobicContact CG2-CG2 4.34Å; I29-Q63 CarbonylContact C-O 3.58Å; I29-Q63 WeakPolarHBondContact CA-O 3.24Å; I29-Q63 HydrophobicContact CG1-CB 4.48Å; I29-F78 WeakPolarHBondContact O-CA 3.37Å; I29-Y79 HydrophobicContact CB-CD2 3.95Å; I29-Y79 HydrophobicContact CB-CG 4.35Å; I29-Y79 HydrophobicContact CG2-CD2 4.06Å; I29-Y79 PolarHBondContact N-O 3.34Å; I29-Y79 PolarHBondContact O-N 3.44Å
30V98.2Very high96.5Very high9 Ų959.1 Ų59.16%0.05530%0.297CS..EExtended strand (participates in β ladder)trans-122.3126.2171.2-173.80000108.5L23 V27 V32 V62 Q63 I64 M65 K77 F78L23-V30 HydrophobicContact CD1-CG2 4.17Å; V27-V30 HydrophobicContact CG1-CG2 3.97Å; V30-V32 HydrophobicContact CG1-CG2 4.42Å; V30-V62 HydrophobicContact CG2-CG1 3.76Å; V30-Q63 PolarHBondContact N-O 2.81Å; V30-I64 HydrophobicContact CB-CG1 4.26Å; V30-I64 CarbonylContact O-C 3.55Å; V30-I64 WeakPolarHBondContact O-CA 3.49Å; V30-M65 PolarHBondContact O-N 3.02Å; V30-K77 WeakPolarHBondContact CA-O 3.4Å; V30-F78 HydrophobicContact CB-CD1 4.32Å; V30-F78 HydrophobicContact CB-CE1 4.4Å; V30-F78 HydrophobicContact CG1-CD1 4.01Å; V30-F78 HydrophobicContact CG1-CE1 3.73Å; V30-F78 HydrophobicContact CG1-CZ 4.19Å; V30-F78 HydrophobicContact CG2-CD1 3.58Å; V30-F78 HydrophobicContact CG2-CE1 3.77Å
31T98.3Very high96.5Very high10 Ų1053.8 Ų53.86%0.06127%0.273CS..EExtended strand (participates in β ladder)trans-111.4128.2172.159.20000109.9I29 M65 F67 K77 Y79I29-T31 HydrophobicContact CG2-CG2 4.34Å; T31-M65 CarbonylContact C-O 3.41Å; T31-M65 WeakPolarHBondContact CA-O 3.45Å; T31-M65 HydrophobicContact CG2-CB 4.3Å; T31-F67 HydrophobicContact CG2-CE2 3.85Å; T31-K77 PolarHBondContact N-O 3.46Å; T31-K77 PolarHBondContact O-N 3.47Å; T31-K77 WeakPolarHBondContact OG1-CB 3.21Å; T31-K77 PolarHBondContact OG1-O 2.83Å; T31-Y79 HydrophobicContact CG2-CE2 3.73Å
32V98.2Very high96.4Very high3 Ų356.4 Ų56.42%0.01829%0.287CS..EExtended strand (participates in β ladder)trans-109.6111.2179.4-174.80000108.6V30 Y34 V48 I64 M65 M66 F67 L76V30-V32 HydrophobicContact CG1-CG2 4.42Å; V32-Y34 HydrophobicContact CG1-CD1 4.2Å; V32-V48 HydrophobicContact CG1-CG2 3.61Å; V32-I64 HydrophobicContact CG2-CG2 4.2Å; V32-M65 PolarHBondContact N-O 3.44Å; V32-M66 HydrophobicContact CB-CG 4.13Å; V32-M66 HydrophobicContact CG2-CG 4.44Å; V32-M66 CarbonylContact O-C 3.56Å; V32-M66 WeakPolarHBondContact O-CA 3.34Å; V32-F67 PolarHBondContact O-N 3.47Å; V32-L76 HydrophobicContact CB-CD2 4.02Å; V32-L76 HydrophobicContact CG1-CD2 3.62Å; V32-L76 HydrophobicContact CG2-CD2 3.87Å
33N98.1Very high96.4Very high15 Ų1555.3 Ų55.38%0.0828%0.281CS..EExtended strand (participates in β ladder)trans-102.9121.6175.5-69.9-92.3000108.6F67 P74 F75N33-F67 WeakPolarHBondContact CA-O 3.35Å; N33-F67 WeakPolarHBondContact OD1-CB 3.38Å; N33-P74 CarbonylContact O-C 3.25Å; N33-P74 VanDerWaalsContact O-CA 3.24Å; N33-P74 WeakPolarHBondContact O-CA 3.23Å; N33-P74 WeakPolarHBondContact O-CB 3.38Å; N33-F75 HydrophobicContact CB-CD1 3.89Å; N33-F75 HydrophobicContact CB-CD2 4.33Å; N33-F75 HydrophobicContact CB-CE1 3.61Å; N33-F75 HydrophobicContact CB-CE2 4.1Å; N33-F75 HydrophobicContact CB-CG 4.25Å; N33-F75 HydrophobicContact CB-CZ 3.73Å; N33-F75 VanDerWaalsContact CG-CZ 3.41Å; N33-F75 PolarHBondContact N-O 3.28Å; N33-F75 WeakPolarHBondContact ND2-CE2 3.38Å; N33-F75 VanDerWaalsContact ND2-CZ 3.31Å; N33-F75 WeakPolarHBondContact ND2-CZ 3.32Å; N33-F75 PolarHBondContact O-N 3.34Å
34Y97.6Very high96.4Very high26 Ų2655.3 Ų55.310%0.10228%0.281CS..EExtended strand (participates in β ladder)trans-148.6159.6-178.173.5-77.6000112.8V32 R45 V48 M66 F67 K68 N69V32-Y34 HydrophobicContact CG1-CD1 4.2Å; Y34-R45 HydrophobicContact CD2-CG 3.84Å; Y34-R45 HydrophobicContact CE2-CG 4.15Å; Y34-V48 HydrophobicContact CD1-CG2 3.89Å; Y34-V48 HydrophobicContact CE1-CG1 4.31Å; Y34-V48 HydrophobicContact CE1-CG2 3.86Å; Y34-V48 HydrophobicContact CG-CG2 4.28Å; Y34-M66 HydrophobicContact CE1-CB 4.3Å; Y34-F67 PolarHBondContact N-O 3.24Å; Y34-F67 VanDerWaalsContact N-O 3.08Å; Y34-K68 HydrophobicContact CE1-CG 3.87Å; Y34-K68 HydrophobicContact CE2-CG 4.36Å; Y34-K68 WeakPolarHBondContact O-CA 3.44Å; Y34-K68 WeakPolarHBondContact OH-CE 3.49Å; Y34-N69 PolarHBondContact O-N 3.44Å
35N97.4Very high96.4Very high22 Ų2254.5 Ų54.512%0.11828%0.276CS..  trans-106.4137.1-177.5-68.2-26.3000111.5H37 S41 R45 N69 T71 P72N35-H37 PolarHBondContact O-N 3Å; N35-S41 PolarHBondContact N-OG 2.98Å; N35-S41 VanDerWaalsContact N-OG 3.12Å; N35-S41 PolarHBondContact O-OG 2.89Å; N35-R45 WeakPolarHBondContact O-CD 3.34Å; N35-R45 WeakPolarHBondContact O-CG 3.5Å; N35-R45 PolarHBondContact O-NH1 2.92Å; N35-R45 VanDerWaalsContact O-NH1 3.14Å; N35-N69 WeakPolarHBondContact CA-OD1 3.05Å; N35-N69 VanDerWaalsContact OD1-CA 3.29Å; N35-N69 WeakPolarHBondContact OD1-CA 3.33Å; N35-T71 PolarHBondContact ND2-O 3.08Å; N35-T71 PolarHBondContact OD1-O 3.2Å; N35-T71 VanDerWaalsContact OD1-O 3.08Å; N35-P72 VanDerWaalsContact ND2-C 3.32Å; N35-P72 PolarHBondContact ND2-O 3.07Å
36T95.8Very high96.5Very high50 Ų5052.6 Ų52.631%0.30726%0.262SS..SBendtrans-71.5-24.4-178.255.70000112.1K68 N69T36-K68 HydrophobicContact CG2-CB 4.44Å; T36-K68 HydrophobicContact CG2-CD 4.31Å; T36-N69 PolarHBondContact N-OD1 3.36Å; T36-N69 PolarHBondContact OG1-ND2 3.22Å; T36-N69 PolarHBondContact OG1-OD1 2.87Å
37H94Very high96.5Very high152 Ų15247.4 Ų47.470%0.70424%0.243SC*.SBendtrans-120170.3179.7-53.9106.7000111.1N35 R45N35-H37 PolarHBondContact O-N 3Å; H37-R45 PolarHBondContact O-NH1 3.29Å
38G92.8Very high96.5Very high50 Ų5048.3 Ų48.352%0.51525%0.249SC..  trans92141.7178.900000113.7R45G38-R45 PolarHBondContact O-NH1 3.14Å; G38-R45 PolarHBondContact O-NH2 3.29Å
39Q93.1Very high96.5Very high183 Ų18347.3 Ų47.386%0.85525%0.245SC*.SBendtrans-70.5-37.9-179.3-67.7-177.1-6.500111.7S41 D42Q39-S41 PolarHBondContact O-N 3.09Å; Q39-D42 VanDerWaalsContact O-CB 3.26Å; Q39-D42 WeakPolarHBondContact O-CB 3.33Å; Q39-D42 PolarHBondContact O-N 3.09Å; Q39-D42 VanDerWaalsContact O-N 3.09Å
40L92.9Very high96.4Very high102 Ų10246.6 Ų46.653%0.53424%0.239SC..THydrogen-bonded Turntrans-65.8-19.3-179.7-62.5-180000113.9E91 G92L40-E91 HydrophobicContact CB-CG 3.81Å; L40-E91 HydrophobicContact CD1-CG 4.29Å; L40-E91 WeakPolarHBondContact CD1-OE1 3.37Å; L40-G92 PolarHBondContact O-N 3.47Å
41S93.8Very high96.4Very high5 Ų546.8 Ų46.84%0.03524%0.24CC..THydrogen-bonded Turntrans-986.7177-156.60000113.5N35 Q39 G43 A44 R45N35-S41 PolarHBondContact N-OG 2.98Å; N35-S41 VanDerWaalsContact N-OG 3.12Å; N35-S41 PolarHBondContact O-OG 2.89Å; Q39-S41 PolarHBondContact O-N 3.09Å; S41-G43 PolarHBondContact O-N 3.19Å; S41-A44 PolarHBondContact O-N 2.93Å; S41-R45 PolarHBondContact O-N 3.5Å
42D96.5Very high96.4Very high59 Ų5947 Ų4732%0.31624%0.241SC..Hα-helixtrans-62.9-44.1-175.9-168.863.9000113.6Q39 A44 R45 K46Q39-D42 VanDerWaalsContact O-CB 3.26Å; Q39-D42 WeakPolarHBondContact O-CB 3.33Å; Q39-D42 PolarHBondContact O-N 3.09Å; Q39-D42 VanDerWaalsContact O-N 3.09Å; D42-A44 VanDerWaalsContact C-N 3.33Å; D42-A44 PolarHBondContact O-N 3.35Å; D42-R45 VanDerWaalsContact CA-NH2 3.26Å; D42-R45 PolarHBondContact O-N 3.04Å; D42-R45 IonicContact OD1-CZ 3.92Å; D42-R45 IonicContact OD1-NE 3.93Å; D42-R45 IonicContact OD1-NH2 3.09Å; D42-R45 PolarHBondContact OD1-NH2 3Å; D42-R45 VanDerWaalsContact OD1-NH2 3.09Å; D42-K46 WeakPolarHBondContact O-CG 3.37Å; D42-K46 PolarHBondContact O-N 3.15Å; D42-K46 WeakPolarHBondContact OD2-CE 3.46Å; D42-K46 IonicContact OD2-NZ 2.67Å; D42-K46 PolarHBondContact OD2-NZ 2.83Å
43G96.9Very high96.4Very high6 Ų648.9 Ų48.96%0.06225%0.254CS..Hα-helixtrans-66.3-34.6176.800000113.1S41 K46 F47 K93S41-G43 PolarHBondContact O-N 3.19Å; G43-K46 PolarHBondContact O-N 3.23Å; G43-F47 VanDerWaalsContact O-CB 3.26Å; G43-F47 WeakPolarHBondContact O-CB 3.24Å; G43-F47 PolarHBondContact O-N 2.75Å; G43-K93 VanDerWaalsContact CA-O 3.3Å; G43-K93 WeakPolarHBondContact CA-O 3.13Å
44A97.3Very high96.4Very high2 Ų249.3 Ų49.32%0.01726%0.255CS..Hα-helixtrans-64.4-42.117400000111.9S41 D42 F47 V48 P74 V90S41-A44 PolarHBondContact O-N 2.93Å; D42-A44 VanDerWaalsContact C-N 3.33Å; D42-A44 PolarHBondContact O-N 3.35Å; A44-F47 WeakPolarHBondContact O-CB 3.37Å; A44-F47 PolarHBondContact O-N 2.91Å; A44-V48 WeakPolarHBondContact O-CG2 3.26Å; A44-V48 PolarHBondContact O-N 3.33Å; A44-P74 HydrophobicContact CB-CB 3.86Å; A44-P74 HydrophobicContact CB-CG 4.32Å; A44-V90 HydrophobicContact CB-CG2 4.09Å
45R97.6Very high96.4Very high59 Ų5948.7 Ų48.722%0.22325%0.253CS..Hα-helixtrans-62.5-44.4173.7-70.7-173.2-62.3-94.13112Y34 N35 H37 G38 S41 D42 F47 V48 F49Y34-R45 HydrophobicContact CD2-CG 3.84Å; Y34-R45 HydrophobicContact CE2-CG 4.15Å; N35-R45 WeakPolarHBondContact O-CD 3.34Å; N35-R45 WeakPolarHBondContact O-CG 3.5Å; N35-R45 PolarHBondContact O-NH1 2.92Å; N35-R45 VanDerWaalsContact O-NH1 3.14Å; H37-R45 PolarHBondContact O-NH1 3.29Å; G38-R45 PolarHBondContact O-NH1 3.14Å; G38-R45 PolarHBondContact O-NH2 3.29Å; S41-R45 PolarHBondContact O-N 3.5Å; D42-R45 VanDerWaalsContact CA-NH2 3.26Å; D42-R45 PolarHBondContact O-N 3.04Å; D42-R45 IonicContact OD1-CZ 3.92Å; D42-R45 IonicContact OD1-NE 3.93Å; D42-R45 IonicContact OD1-NH2 3.09Å; D42-R45 PolarHBondContact OD1-NH2 3Å; D42-R45 VanDerWaalsContact OD1-NH2 3.09Å; R45-F47 VanDerWaalsContact C-N 3.33Å; R45-V48 PolarHBondContact O-N 3.05Å; R45-F49 WeakPolarHBondContact O-CB 3.43Å; R45-F49 PolarHBondContact O-N 3Å
46K97.6Very high96.4Very high78 Ų7850.8 Ų50.834%0.33926%0.263SS..Hα-helixtrans-63.8-39.3176.1-75.5170.7175.2162.40111.5D42 G43 F49 F50 H95D42-K46 WeakPolarHBondContact O-CG 3.37Å; D42-K46 PolarHBondContact O-N 3.15Å; D42-K46 WeakPolarHBondContact OD2-CE 3.46Å; D42-K46 IonicContact OD2-NZ 2.67Å; D42-K46 PolarHBondContact OD2-NZ 2.83Å; G43-K46 PolarHBondContact O-N 3.23Å; K46-F49 PolarHBondContact O-N 3.42Å; K46-F49 VanDerWaalsContact O-N 3.17Å; K46-F50 HydrophobicContact CB-CD2 4.24Å; K46-F50 HydrophobicContact CG-CE2 4.49Å; K46-F50 WeakPolarHBondContact O-CB 3.44Å; K46-F50 WeakPolarHBondContact O-CD2 3.44Å; K46-F50 PolarHBondContact O-N 2.67Å; K46-H95 HydrophobicContact CB-CB 3.84Å
47F97.7Very high96.5Very high6 Ų653.1 Ų53.13%0.02627%0.266CS..Iπ-helixtrans-61-47.4175.8177.9-98.2000111.6G43 A44 R45 F49 N51 V52 I55 L76 H95 I98G43-F47 VanDerWaalsContact O-CB 3.26Å; G43-F47 WeakPolarHBondContact O-CB 3.24Å; G43-F47 PolarHBondContact O-N 2.75Å; A44-F47 WeakPolarHBondContact O-CB 3.37Å; A44-F47 PolarHBondContact O-N 2.91Å; R45-F47 VanDerWaalsContact C-N 3.33Å; F47-F49 VanDerWaalsContact C-N 3.28Å; F47-F49 PolarHBondContact O-N 3.48Å; F47-N51 HydrophobicContact CD2-CB 3.6Å; F47-N51 HydrophobicContact CE2-CB 3.73Å; F47-N51 HydrophobicContact CG-CB 4.3Å; F47-N51 WeakPolarHBondContact O-CA 3.21Å; F47-N51 WeakPolarHBondContact O-CB 3.49Å; F47-N51 PolarHBondContact O-N 3.27Å; F47-V52 HydrophobicContact CD1-CG2 4.07Å; F47-V52 HydrophobicContact CE1-CG2 3.86Å; F47-V52 PolarHBondContact O-N 3.17Å; F47-I55 HydrophobicContact CE1-CD1 4.41Å; F47-I55 HydrophobicContact CE2-CD1 3.91Å; F47-I55 HydrophobicContact CZ-CD1 3.47Å; F47-I55 VanDerWaalsContact CZ-CD1 3.47Å; F47-L76 HydrophobicContact CE1-CD1 4.13Å; F47-L76 HydrophobicContact CE1-CD2 4.14Å; F47-L76 HydrophobicContact CZ-CD1 4.27Å; F47-H95 HydrophobicContact CB-CB 3.98Å; F47-I98 HydrophobicContact CB-CD1 4.21Å; F47-I98 HydrophobicContact CD1-CG2 4.3Å; F47-I98 HydrophobicContact CD2-CB 4.01Å; F47-I98 HydrophobicContact CD2-CG2 3.6Å; F47-I98 HydrophobicContact CE1-CG2 4.38Å; F47-I98 HydrophobicContact CE2-CB 4.43Å; F47-I98 HydrophobicContact CE2-CG2 3.7Å; F47-I98 HydrophobicContact CG-CB 4.46Å; F47-I98 HydrophobicContact CG-CG2 3.91Å; F47-I98 HydrophobicContact CZ-CG2 4.09Å
48V97.6Very high96.6Very high22 Ų2249.3 Ų49.313%0.13325%0.248CC..Iπ-helixtrans-58.9-41.4173170.40000111.5V32 Y34 A44 R45 V52 M66V32-V48 HydrophobicContact CG1-CG2 3.61Å; Y34-V48 HydrophobicContact CD1-CG2 3.89Å; Y34-V48 HydrophobicContact CE1-CG1 4.31Å; Y34-V48 HydrophobicContact CE1-CG2 3.86Å; Y34-V48 HydrophobicContact CG-CG2 4.28Å; A44-V48 WeakPolarHBondContact O-CG2 3.26Å; A44-V48 PolarHBondContact O-N 3.33Å; R45-V48 PolarHBondContact O-N 3.05Å; V48-V52 HydrophobicContact CG2-CG2 4.45Å; V48-M66 HydrophobicContact CG1-SD 3.56Å; V48-M66 VanDerWaalsContact CG1-SD 3.56Å; V48-M66 HydrophobicContact CG2-SD 4.46Å
49F97.2Very high96.9Very high76 Ų7647.6 Ų47.633%0.33323%0.227SC..Iπ-helixtrans-74.7-40.9-175.8-167.9-102000113.3F7 R10 R45 K46 F47F7-F49 HydrophobicContact CB-CE1 4.34Å; F7-F49 AromaticContact CD2-CE1 3.78Å; F7-F49 HydrophobicContact CD2-CE1 3.78Å; F7-F49 HydrophobicContact CD2-CZ 4.2Å; F7-F49 HydrophobicContact CG-CE1 4.39Å; R10-F49 WeakPolarHBondContact CD-O 3.47Å; R10-F49 PolarHBondContact NH1-O 2.79Å; R10-F49 VanDerWaalsContact NH2-CE2 3.27Å; R45-F49 WeakPolarHBondContact O-CB 3.43Å; R45-F49 PolarHBondContact O-N 3Å; K46-F49 PolarHBondContact O-N 3.42Å; K46-F49 VanDerWaalsContact O-N 3.17Å; F47-F49 VanDerWaalsContact C-N 3.28Å; F47-F49 PolarHBondContact O-N 3.48Å
50F96.9Very high97.1Very high43 Ų4342.8 Ų42.819%0.18921%0.212CC..Iπ-helixtrans-102.2-44.6-173.1-69-70.9000113.1F7 R10 Y15 K46F7-F50 HydrophobicContact CD2-CZ 4.37Å; F7-F50 HydrophobicContact CE2-CZ 4.48Å; F7-F50 HydrophobicContact CG-CE1 4.31Å; F7-F50 HydrophobicContact CG-CZ 4.48Å; R10-F50 VanDerWaalsContact CD-CD1 3.44Å; R10-F50 HydrophobicContact CG-CD1 4.05Å; R10-F50 HydrophobicContact CG-CE1 4.33Å; Y15-F50 WeakPolarHBondContact OH-CB 3.34Å; Y15-F50 PolarHBondContact OH-O 3.38Å; K46-F50 HydrophobicContact CB-CD2 4.24Å; K46-F50 HydrophobicContact CG-CE2 4.49Å; K46-F50 WeakPolarHBondContact O-CB 3.44Å; K46-F50 WeakPolarHBondContact O-CD2 3.44Å; K46-F50 PolarHBondContact O-N 2.67Å
51N97.6Very high97.3Very high14 Ų1449.4 Ų49.48%0.07523%0.23CC..Iπ-helixtrans-94.9-36.2-166.5-62.3100000113.7F47 Q54 I55 H95 T99F47-N51 HydrophobicContact CD2-CB 3.6Å; F47-N51 HydrophobicContact CE2-CB 3.73Å; F47-N51 HydrophobicContact CG-CB 4.3Å; F47-N51 WeakPolarHBondContact O-CA 3.21Å; F47-N51 WeakPolarHBondContact O-CB 3.49Å; F47-N51 PolarHBondContact O-N 3.27Å; N51-Q54 WeakPolarHBondContact O-CB 3.48Å; N51-Q54 PolarHBondContact O-N 2.99Å; N51-I55 WeakPolarHBondContact O-CG1 3.49Å; N51-I55 PolarHBondContact O-N 2.87Å; N51-H95 PolarHBondContact OD1-ND1 3.02Å; N51-T99 PolarHBondContact ND2-OG1 3.04Å
52V97.5Very high97.5Very high14 Ų1449.8 Ų49.89%0.08523%0.231CC..Hα-helixtrans-55.2-42.7179.3169.60000113.2F47 V48 Q54 I55 Q56 I64F47-V52 HydrophobicContact CD1-CG2 4.07Å; F47-V52 HydrophobicContact CE1-CG2 3.86Å; F47-V52 PolarHBondContact O-N 3.17Å; V48-V52 HydrophobicContact CG2-CG2 4.45Å; V52-Q54 VanDerWaalsContact C-N 3.29Å; V52-Q54 PolarHBondContact O-N 2.96Å; V52-I55 PolarHBondContact O-N 3.41Å; V52-Q56 WeakPolarHBondContact O-CB 3.43Å; V52-Q56 PolarHBondContact O-N 2.78Å; V52-I64 HydrophobicContact CG1-CD1 4.41Å; V52-I64 HydrophobicContact CG1-CG2 4.19Å
53P97.9Very high97.6Very high43 Ų4352.1 Ų52.128%0.27924%0.241SC..Hα-helixtrans-58.4-39174.9-25.935.4000113.5L16 Y57L16-P53 HydrophobicContact CD2-CB 3.87Å; P53-Y57 WeakPolarHBondContact O-CB 3.48Å; P53-Y57 PolarHBondContact O-N 3.34Å
54Q97.8Very high97.6Very high23 Ų2353.2 Ų53.211%0.10725%0.245CC..Hα-helixtrans-68.4-44.2178.2-63.3-179.3-40.500111.4Y15 N51 V52 Y57 K58Y15-Q54 HydrophobicContact CD1-CG 4.07Å; Y15-Q54 HydrophobicContact CE1-CG 3.7Å; Y15-Q54 PolarHBondContact O-NE2 3.41Å; N51-Q54 WeakPolarHBondContact O-CB 3.48Å; N51-Q54 PolarHBondContact O-N 2.99Å; V52-Q54 VanDerWaalsContact C-N 3.29Å; V52-Q54 PolarHBondContact O-N 2.96Å; Q54-Y57 PolarHBondContact O-N 2.98Å; Q54-K58 WeakPolarHBondContact O-CG 3.48Å; Q54-K58 PolarHBondContact O-N 3.45Å; Q54-K58 VanDerWaalsContact O-N 3.08Å
55I97.6Very high97.7Very high14 Ų1456.7 Ų56.77%0.07226%0.261CS..Hα-helixtrans-61.1-49.1177.5-63.7168.1000109.9V21 L23 F47 N51 V52 Y57 K58 N59 I64V21-I55 HydrophobicContact CB-CG1 4.07Å; V21-I55 HydrophobicContact CG1-CG1 4.29Å; L23-I55 HydrophobicContact CD1-CG2 4.25Å; F47-I55 HydrophobicContact CE1-CD1 4.41Å; F47-I55 HydrophobicContact CE2-CD1 3.91Å; F47-I55 HydrophobicContact CZ-CD1 3.47Å; F47-I55 VanDerWaalsContact CZ-CD1 3.47Å; N51-I55 WeakPolarHBondContact O-CG1 3.49Å; N51-I55 PolarHBondContact O-N 2.87Å; V52-I55 PolarHBondContact O-N 3.41Å; I55-Y57 VanDerWaalsContact C-N 3.29Å; I55-Y57 PolarHBondContact O-N 3.32Å; I55-K58 PolarHBondContact O-N 3.21Å; I55-N59 WeakPolarHBondContact O-CB 3.35Å; I55-N59 PolarHBondContact O-N 3.03Å; I55-N59 PolarHBondContact O-OD1 2.99Å; I55-I64 HydrophobicContact CB-CD1 4.45Å; I55-I64 HydrophobicContact CG2-CD1 3.96Å
56Q97.9Very high97.7Very high66 Ų6658.4 Ų58.431%0.30827%0.273SS..Hα-helixtrans-61.4-38.8179.4-171.265.567.700112.2V52 N59 V62 I64V52-Q56 WeakPolarHBondContact O-CB 3.43Å; V52-Q56 PolarHBondContact O-N 2.78Å; Q56-N59 PolarHBondContact NE2-O 3.36Å; Q56-N59 CarbonylContact O-C 3.56Å; Q56-N59 VanDerWaalsContact O-C 3.25Å; Q56-N59 PolarHBondContact O-N 3.41Å; Q56-V62 PolarHBondContact NE2-O 2.96Å; Q56-I64 HydrophobicContact CB-CD1 4.1Å
57Y98.1Very high97.7Very high98 Ų9858.1 Ų58.138%0.38427%0.272SS..Hα-helixtrans-64-39.5177.7-177.6-95.1000112.3L13 L16 Q17 P53 Q54 I55L13-Y57 HydrophobicContact CD2-CE2 4.11Å; L16-Y57 HydrophobicContact CB-CD1 3.8Å; L16-Y57 HydrophobicContact CB-CD2 3.94Å; L16-Y57 HydrophobicContact CB-CE1 4.23Å; L16-Y57 HydrophobicContact CB-CE2 4.33Å; L16-Y57 HydrophobicContact CB-CG 3.65Å; L16-Y57 HydrophobicContact CD1-CD2 3.78Å; L16-Y57 HydrophobicContact CD1-CE2 4.21Å; L16-Y57 HydrophobicContact CD1-CG 4.27Å; L16-Y57 HydrophobicContact CG-CD2 4.41Å; L16-Y57 HydrophobicContact CG-CG 4.42Å; Q17-Y57 HydrophobicContact CG-CE1 3.92Å; P53-Y57 WeakPolarHBondContact O-CB 3.48Å; P53-Y57 PolarHBondContact O-N 3.34Å; Q54-Y57 PolarHBondContact O-N 2.98Å; I55-Y57 VanDerWaalsContact C-N 3.29Å; I55-Y57 PolarHBondContact O-N 3.32Å
58K97.3Very high97.7Very high72 Ų7263.9 Ų63.931%0.31330%0.297SS..Hα-helixtrans-78.8-23.7177.6-67.3-70.4-178162.40113.2Q17 G19 V22 Q54 I55 P60Q17-K58 WeakPolarHBondContact O-CE 3.48Å; Q17-K58 PolarHBondContact O-NZ 2.67Å; G19-K58 VanDerWaalsContact O-CE 3.27Å; G19-K58 WeakPolarHBondContact O-CE 3.26Å; V22-K58 HydrophobicContact CG2-CB 4.35Å; V22-K58 HydrophobicContact CG2-CD 4.45Å; Q54-K58 WeakPolarHBondContact O-CG 3.48Å; Q54-K58 PolarHBondContact O-N 3.45Å; Q54-K58 VanDerWaalsContact O-N 3.08Å; I55-K58 PolarHBondContact O-N 3.21Å; K58-P60 VanDerWaalsContact C-CD 3.45Å; K58-P60 WeakPolarHBondContact O-CD 3.3Å
59N97.8Very high97.6Very high14 Ų1467 Ų678%0.07531%0.313CS..  trans-124.266.8-177.4-63.4110.6000111.1V21 L23 I55 Q56 W61 V62V21-N59 PolarHBondContact O-OD1 2.85Å; L23-N59 HydrophobicContact CD1-CB 4.42Å; L23-N59 PolarHBondContact N-ND2 3.05Å; L23-N59 VanDerWaalsContact N-ND2 3.12Å; L23-N59 PolarHBondContact N-OD1 2.87Å; I55-N59 WeakPolarHBondContact O-CB 3.35Å; I55-N59 PolarHBondContact O-N 3.03Å; I55-N59 PolarHBondContact O-OD1 2.99Å; Q56-N59 PolarHBondContact NE2-O 3.36Å; Q56-N59 CarbonylContact O-C 3.56Å; Q56-N59 VanDerWaalsContact O-C 3.25Å; Q56-N59 PolarHBondContact O-N 3.41Å; N59-W61 PolarHBondContact O-N 3.12Å; N59-W61 VanDerWaalsContact O-N 3.15Å; N59-V62 HydrophobicContact CB-CB 4.05Å; N59-V62 HydrophobicContact CB-CG2 3.88Å; N59-V62 PolarHBondContact O-N 3.21Å; N59-V62 VanDerWaalsContact O-N 3.14Å
60P97.2Very high97.6Very high83 Ų8370.1 Ų70.154%0.53933%0.331SS..THydrogen-bonded Turntrans-63.2-24.6-174.725.5-35.2000113.5K58K58-P60 VanDerWaalsContact C-CD 3.45Å; K58-P60 WeakPolarHBondContact O-CD 3.3Å
61W97.3Very high97.4Very high241 Ų24170.1 Ų70.191%0.91333%0.334SS*.THydrogen-bonded Turntrans-92.61.3-178.1-51.2114.7000114N59N59-W61 PolarHBondContact O-N 3.12Å; N59-W61 VanDerWaalsContact O-N 3.15Å
62V98.1Very high97.3Very high12 Ų1275.3 Ų75.37%0.07337%0.368CS..SBendtrans-99.9127.2176.3178.60000108.3L23 V27 V30 Q56 N59L23-V62 HydrophobicContact CD1-CG1 4.08Å; L23-V62 HydrophobicContact CD1-CG2 4.3Å; V27-V62 HydrophobicContact CG1-CG1 4.3Å; V30-V62 HydrophobicContact CG2-CG1 3.76Å; Q56-V62 PolarHBondContact NE2-O 2.96Å; N59-V62 HydrophobicContact CB-CB 4.05Å; N59-V62 HydrophobicContact CB-CG2 3.88Å; N59-V62 PolarHBondContact O-N 3.21Å; N59-V62 VanDerWaalsContact O-N 3.14Å
63Q98.1Very high97.1Very high109 Ų10976.6 Ų76.651%0.50938%0.378SS..EExtended strand (participates in β ladder)trans-81.4121.7176.8-179.8176.5-17.600109.9K28 I29 V30 M65K28-Q63 PolarHBondContact O-N 3.28Å; I29-Q63 CarbonylContact C-O 3.58Å; I29-Q63 WeakPolarHBondContact CA-O 3.24Å; I29-Q63 HydrophobicContact CG1-CB 4.48Å; V30-Q63 PolarHBondContact N-O 2.81Å; Q63-M65 HydrophobicContact CG-CG 4.29Å; Q63-M65 PolarHBondContact NE2-SD 3.11Å; Q63-M65 VanDerWaalsContact NE2-SD 3.45Å
64I98.3Very high97.1Very high28 Ų2874.6 Ų74.614%0.14437%0.365CS..EExtended strand (participates in β ladder)trans-107.9121174.7-54.2-178.8000109.8V30 V32 V52 I55 Q56V30-I64 HydrophobicContact CB-CG1 4.26Å; V30-I64 CarbonylContact O-C 3.55Å; V30-I64 WeakPolarHBondContact O-CA 3.49Å; V32-I64 HydrophobicContact CG2-CG2 4.2Å; V52-I64 HydrophobicContact CG1-CD1 4.41Å; V52-I64 HydrophobicContact CG1-CG2 4.19Å; I55-I64 HydrophobicContact CB-CD1 4.45Å; I55-I64 HydrophobicContact CG2-CD1 3.96Å; Q56-I64 HydrophobicContact CB-CD1 4.1Å
65M98Very high97.1Very high75 Ų7575.4 Ų75.437%0.36937%0.368SS..EExtended strand (participates in β ladder)trans-113.8144.3174.5-67.7-174.268.200110.8V30 T31 V32 Q63 F67V30-M65 PolarHBondContact O-N 3.02Å; T31-M65 CarbonylContact C-O 3.41Å; T31-M65 WeakPolarHBondContact CA-O 3.45Å; T31-M65 HydrophobicContact CG2-CB 4.3Å; V32-M65 PolarHBondContact N-O 3.44Å; Q63-M65 HydrophobicContact CG-CG 4.29Å; Q63-M65 PolarHBondContact NE2-SD 3.11Å; Q63-M65 VanDerWaalsContact NE2-SD 3.45Å; M65-F67 HydrophobicContact CB-CE2 4.23Å; M65-F67 HydrophobicContact CB-CZ 4.34Å; M65-F67 HydrophobicContact CE-CE1 4.14Å; M65-F67 HydrophobicContact CE-CZ 3.71Å
66M97.9Very high97.1Very high95 Ų9574.9 Ų74.947%0.46837%0.366SS..EExtended strand (participates in β ladder)trans-125.2127.2-177.5-66.7176.6-75.900110.2V32 Y34 V48V32-M66 HydrophobicContact CB-CG 4.13Å; V32-M66 HydrophobicContact CG2-CG 4.44Å; V32-M66 CarbonylContact O-C 3.56Å; V32-M66 WeakPolarHBondContact O-CA 3.34Å; Y34-M66 HydrophobicContact CE1-CB 4.3Å; V48-M66 HydrophobicContact CG1-SD 3.56Å; V48-M66 VanDerWaalsContact CG1-SD 3.56Å; V48-M66 HydrophobicContact CG2-SD 4.46Å
67F97.9Very high97.2Very high73 Ų7374 Ų7432%0.3236%0.361SS..EExtended strand (participates in β ladder)trans-118.1136.4177.1-57.2-75.3000109.7T31 V32 N33 Y34 M65 M70T31-F67 HydrophobicContact CG2-CE2 3.85Å; V32-F67 PolarHBondContact O-N 3.47Å; N33-F67 WeakPolarHBondContact CA-O 3.35Å; N33-F67 WeakPolarHBondContact OD1-CB 3.38Å; Y34-F67 PolarHBondContact N-O 3.24Å; Y34-F67 VanDerWaalsContact N-O 3.08Å; M65-F67 HydrophobicContact CB-CE2 4.23Å; M65-F67 HydrophobicContact CB-CZ 4.34Å; M65-F67 HydrophobicContact CE-CE1 4.14Å; M65-F67 HydrophobicContact CE-CZ 3.71Å; F67-M70 HydrophobicContact CB-CG 4Å
68K97.3Very high97.2Very high126 Ų12669.6 Ų69.655%0.54834%0.344SS..EExtended strand (participates in β ladder)trans-112.9133.5-176.2-66.3172.4180170.70109.7Y34 T36 M70Y34-K68 HydrophobicContact CE1-CG 3.87Å; Y34-K68 HydrophobicContact CE2-CG 4.36Å; Y34-K68 WeakPolarHBondContact O-CA 3.44Å; Y34-K68 WeakPolarHBondContact OH-CE 3.49Å; T36-K68 HydrophobicContact CG2-CB 4.44Å; T36-K68 HydrophobicContact CG2-CD 4.31Å; K68-M70 PolarHBondContact O-N 2.98Å; K68-M70 VanDerWaalsContact O-N 3.15Å
69N96.6Very high97.2Very high89 Ų8969.3 Ų69.348%0.47634%0.341SS..SBendtrans56.829.5169.8-52.8-32.9000114.6Y34 N35 T36Y34-N69 PolarHBondContact O-N 3.44Å; N35-N69 WeakPolarHBondContact CA-OD1 3.05Å; N35-N69 VanDerWaalsContact OD1-CA 3.29Å; N35-N69 WeakPolarHBondContact OD1-CA 3.33Å; T36-N69 PolarHBondContact N-OD1 3.36Å; T36-N69 PolarHBondContact OG1-ND2 3.22Å; T36-N69 PolarHBondContact OG1-OD1 2.87Å
70M96.1Very high97.2Very high141 Ų14169.2 Ų69.270%0.69534%0.34SS*.SBendtrans-86-30.7176.6-70.8-67.9-69.100112.1F67 K68F67-M70 HydrophobicContact CB-CG 4Å; K68-M70 PolarHBondContact O-N 2.98Å; K68-M70 VanDerWaalsContact O-N 3.15Å
71T93.9Very high97.2Very high43 Ų4369.9 Ų69.926%0.26434%0.34SS..SBendtrans-132.8151-176.455.50000110.9N35 S73 F75N35-T71 PolarHBondContact ND2-O 3.08Å; N35-T71 PolarHBondContact OD1-O 3.2Å; N35-T71 VanDerWaalsContact OD1-O 3.08Å; T71-S73 VanDerWaalsContact C-N 3.31Å; T71-S73 PolarHBondContact O-N 3.39Å; T71-S73 PolarHBondContact OG1-O 3.36Å; T71-F75 HydrophobicContact CG2-CE1 3.79Å; T71-F75 HydrophobicContact CG2-CZ 4.44Å; T71-F75 WeakPolarHBondContact OG1-CE1 3.45Å
72P94.1Very high97.1Very high122 Ų12263.3 Ų63.379%0.79232%0.322SS*.SBendtrans-65.6-32-176.824.8-33.9000113.4N35N35-P72 VanDerWaalsContact ND2-C 3.32Å; N35-P72 PolarHBondContact ND2-O 3.07Å
73S95.1Very high97Very high42 Ų4265.3 Ų65.329%0.29435%0.345SS..SBendtrans-112.6147176.2550000112T71 E91T71-S73 VanDerWaalsContact C-N 3.31Å; T71-S73 PolarHBondContact O-N 3.39Å; T71-S73 PolarHBondContact OG1-O 3.36Å; S73-E91 WeakPolarHBondContact CB-OE2 3.46Å
74P97.5Very high96.9Very high1 Ų165 Ų651%0.00634%0.344CS..  trans-80.9140.1178.234.3-36.4000112.1N33 A44 V90 E91N33-P74 CarbonylContact O-C 3.25Å; N33-P74 VanDerWaalsContact O-CA 3.24Å; N33-P74 WeakPolarHBondContact O-CA 3.23Å; N33-P74 WeakPolarHBondContact O-CB 3.38Å; A44-P74 HydrophobicContact CB-CB 3.86Å; A44-P74 HydrophobicContact CB-CG 4.32Å; P74-V90 HydrophobicContact CB-CG2 3.9Å; P74-V90 HydrophobicContact CG-CG2 4.17Å; P74-V90 WeakPolarHBondContact O-CG2 3.44Å; P74-V90 PolarHBondContact O-N 2.95Å; P74-E91 HydrophobicContact CG-CB 4.15Å
75F97.9Very high96.9Very high40 Ų4068.6 Ų68.618%0.17536%0.36CS..EExtended strand (participates in β ladder)trans-149.7157.4176.665.5-90.1000111.8N33 T71 K77 L87 V88N33-F75 HydrophobicContact CB-CD1 3.89Å; N33-F75 HydrophobicContact CB-CD2 4.33Å; N33-F75 HydrophobicContact CB-CE1 3.61Å; N33-F75 HydrophobicContact CB-CE2 4.1Å; N33-F75 HydrophobicContact CB-CG 4.25Å; N33-F75 HydrophobicContact CB-CZ 3.73Å; N33-F75 VanDerWaalsContact CG-CZ 3.41Å; N33-F75 PolarHBondContact N-O 3.28Å; N33-F75 WeakPolarHBondContact ND2-CE2 3.38Å; N33-F75 VanDerWaalsContact ND2-CZ 3.31Å; N33-F75 WeakPolarHBondContact ND2-CZ 3.32Å; N33-F75 PolarHBondContact O-N 3.34Å; T71-F75 HydrophobicContact CG2-CE1 3.79Å; T71-F75 HydrophobicContact CG2-CZ 4.44Å; T71-F75 WeakPolarHBondContact OG1-CE1 3.45Å; F75-K77 HydrophobicContact CD2-CB 4.21Å; F75-K77 HydrophobicContact CE2-CB 4.13Å; F75-L87 HydrophobicContact CB-CD1 4.28Å; F75-L87 HydrophobicContact CD2-CD1 3.35Å; F75-L87 HydrophobicContact CE2-CD1 3.87Å; F75-L87 HydrophobicContact CG-CD1 4Å; F75-V88 CarbonylContact C-O 3.59Å; F75-V88 WeakPolarHBondContact CA-O 3.47Å
76L98Very high96.9Very high3 Ų366.6 Ų66.62%0.01635%0.352CS..EExtended strand (participates in β ladder)trans-104.4144167.2-50.6177.7000108.9V32 F47 F78 V88 V90 I98 V102V32-L76 HydrophobicContact CB-CD2 4.02Å; V32-L76 HydrophobicContact CG1-CD2 3.62Å; V32-L76 HydrophobicContact CG2-CD2 3.87Å; F47-L76 HydrophobicContact CE1-CD1 4.13Å; F47-L76 HydrophobicContact CE1-CD2 4.14Å; F47-L76 HydrophobicContact CZ-CD1 4.27Å; L76-F78 HydrophobicContact CB-CE2 3.79Å; L76-F78 HydrophobicContact CB-CZ 4.27Å; L76-F78 HydrophobicContact CD1-CE2 4.41Å; L76-F78 HydrophobicContact CD1-CZ 4.27Å; L76-V88 HydrophobicContact CB-CB 4.21Å; L76-V88 PolarHBondContact N-O 3.43Å; L76-V88 PolarHBondContact O-N 2.96Å; L76-V90 HydrophobicContact CD1-CG1 4.04Å; L76-V90 HydrophobicContact CG-CG1 3.86Å; L76-I98 HydrophobicContact CD1-CG2 3.78Å; L76-V102 HydrophobicContact CD1-CG2 3.7Å
77K98.3Very high96.9Very high48 Ų4867.8 Ų67.821%0.20936%0.359CS..EExtended strand (participates in β ladder)trans-135.3131.2173.4-178.9176.7-178.3-1710110V30 T31 F75 Y79 V86 L87V30-K77 WeakPolarHBondContact CA-O 3.4Å; T31-K77 PolarHBondContact N-O 3.46Å; T31-K77 PolarHBondContact O-N 3.47Å; T31-K77 WeakPolarHBondContact OG1-CB 3.21Å; T31-K77 PolarHBondContact OG1-O 2.83Å; F75-K77 HydrophobicContact CD2-CB 4.21Å; F75-K77 HydrophobicContact CE2-CB 4.13Å; K77-Y79 HydrophobicContact CD-CE1 4.45Å; K77-Y79 HydrophobicContact CD-CE2 4.23Å; K77-Y79 WeakPolarHBondContact CD-OH 3.33Å; K77-Y79 VanDerWaalsContact CE-OH 3.29Å; K77-Y79 WeakPolarHBondContact CE-OH 3.28Å; K77-Y79 HydrophobicContact CG-CE2 3.99Å; K77-Y79 PolarHBondContact NZ-OH 3.28Å; K77-V86 CarbonylContact C-O 3.59Å; K77-V86 WeakPolarHBondContact CA-O 3.44Å; K77-L87 HydrophobicContact CB-CD1 4.11Å; K77-L87 HydrophobicContact CD-CD1 4.46Å; K77-L87 HydrophobicContact CG-CD1 4.43Å
78F98.4Very high96.8Very high4 Ų464.6 Ų64.62%0.01835%0.346CS..EExtended strand (participates in β ladder)trans-113.8138-177.5-58-100.4000108.8L23 V27 I29 V30 L76 Q85 V86 V88 V102 L106L23-F78 HydrophobicContact CD2-CE1 4.35Å; V27-F78 HydrophobicContact CG1-CD1 3.98Å; I29-F78 WeakPolarHBondContact O-CA 3.37Å; V30-F78 HydrophobicContact CB-CD1 4.32Å; V30-F78 HydrophobicContact CB-CE1 4.4Å; V30-F78 HydrophobicContact CG1-CD1 4.01Å; V30-F78 HydrophobicContact CG1-CE1 3.73Å; V30-F78 HydrophobicContact CG1-CZ 4.19Å; V30-F78 HydrophobicContact CG2-CD1 3.58Å; V30-F78 HydrophobicContact CG2-CE1 3.77Å; L76-F78 HydrophobicContact CB-CE2 3.79Å; L76-F78 HydrophobicContact CB-CZ 4.27Å; L76-F78 HydrophobicContact CD1-CE2 4.41Å; L76-F78 HydrophobicContact CD1-CZ 4.27Å; F78-Q85 VanDerWaalsContact O-CA 3.32Å; F78-Q85 WeakPolarHBondContact O-CA 3.43Å; F78-V86 HydrophobicContact CB-CB 4.24Å; F78-V86 HydrophobicContact CD2-CB 4.47Å; F78-V86 PolarHBondContact N-O 2.98Å; F78-V86 PolarHBondContact O-N 2.9Å; F78-V88 HydrophobicContact CD2-CG2 4.32Å; F78-V88 HydrophobicContact CE2-CG2 3.9Å; F78-V102 HydrophobicContact CE1-CG1 4.15Å; F78-V102 HydrophobicContact CE2-CG2 4.5Å; F78-V102 HydrophobicContact CZ-CG1 3.85Å; F78-V102 HydrophobicContact CZ-CG2 3.91Å; F78-L106 HydrophobicContact CB-CD1 3.65Å; F78-L106 HydrophobicContact CD1-CD1 3.47Å; F78-L106 VanDerWaalsContact CD1-CD1 3.47Å; F78-L106 HydrophobicContact CD2-CD1 3.63Å; F78-L106 HydrophobicContact CE1-CD1 4Å; F78-L106 HydrophobicContact CE2-CD1 4.13Å; F78-L106 HydrophobicContact CG-CD1 3.29Å; F78-L106 HydrophobicContact CZ-CD1 4.31Å
79Y98.1Very high96.8Very high66 Ų6662.6 Ų62.626%0.25934%0.342SS..EExtended strand (participates in β ladder)trans-114.2121.9175.6-57.2-98.7000108.1K28 I29 T31 K77 Q85K28-Y79 PolarHBondContact N-O 3.5Å; I29-Y79 HydrophobicContact CB-CD2 3.95Å; I29-Y79 HydrophobicContact CB-CG 4.35Å; I29-Y79 HydrophobicContact CG2-CD2 4.06Å; I29-Y79 PolarHBondContact N-O 3.34Å; I29-Y79 PolarHBondContact O-N 3.44Å; T31-Y79 HydrophobicContact CG2-CE2 3.73Å; K77-Y79 HydrophobicContact CD-CE1 4.45Å; K77-Y79 HydrophobicContact CD-CE2 4.23Å; K77-Y79 WeakPolarHBondContact CD-OH 3.33Å; K77-Y79 VanDerWaalsContact CE-OH 3.29Å; K77-Y79 WeakPolarHBondContact CE-OH 3.28Å; K77-Y79 HydrophobicContact CG-CE2 3.99Å; K77-Y79 PolarHBondContact NZ-OH 3.28Å; Y79-Q85 HydrophobicContact CD1-CG 3.8Å; Y79-Q85 HydrophobicContact CE1-CG 4.03Å
80L97.7Very high96.8Very high12 Ų1258.5 Ų58.56%0.06332%0.319CS..EExtended strand (participates in β ladder)trans-91.2169.5-179.2-52.5-172.6000110.7R26 V27 D82 G83 E84 V86 L106R26-L80 HydrophobicContact CG-CD2 4.19Å; R26-L80 CarbonylContact O-C 3.54Å; R26-L80 WeakPolarHBondContact O-CA 3.33Å; V27-L80 HydrophobicContact CB-CD2 4.28Å; V27-L80 HydrophobicContact CG2-CD2 3.71Å; L80-D82 VanDerWaalsContact CB-OD1 3.24Å; L80-D82 WeakPolarHBondContact CB-OD1 3.42Å; L80-G83 PolarHBondContact O-N 3.02Å; L80-E84 HydrophobicContact CB-CB 4.23Å; L80-E84 HydrophobicContact CD1-CB 3.85Å; L80-E84 HydrophobicContact CD1-CG 4.21Å; L80-E84 WeakPolarHBondContact CD1-OE2 3.4Å; L80-E84 HydrophobicContact CG-CB 4.24Å; L80-E84 PolarHBondContact N-O 3.21Å; L80-V86 HydrophobicContact CD1-CG2 4.25Å; L80-L106 HydrophobicContact CD2-CD2 4.16Å
81D97Very high96.9Very high98 Ų9855.3 Ų55.352%0.52430%0.303SS..THydrogen-bonded Turntrans-72.7-26.2-179.445.93.6000114.4R26 K28 G83R26-D81 WeakPolarHBondContact CA-OD1 3.42Å; R26-D81 WeakPolarHBondContact CA-OD2 3.42Å; R26-D81 WeakPolarHBondContact CB-OD1 3.44Å; R26-D81 PolarHBondContact O-N 3.05Å; K28-D81 HydrophobicContact CG-CB 4.18Å; D81-G83 PolarHBondContact O-N 2.98Å
82D96Very high96.9Very high102 Ų10255.8 Ų55.855%0.54532%0.317SS..THydrogen-bonded Turntrans-79.6-0.6172.457.510.4000113.4L80 E84L80-D82 VanDerWaalsContact CB-OD1 3.24Å; L80-D82 WeakPolarHBondContact CB-OD1 3.42Å; D82-E84 VanDerWaalsContact C-N 3.32Å; D82-E84 WeakPolarHBondContact OD1-CB 3.43Å; D82-E84 PolarHBondContact OD1-N 2.73Å
83G94.6Very high97Very high54 Ų5453.2 Ų53.256%0.55729%0.293SS*.SBendtrans85.8-1.8-176.400000114.3L80 D81L80-G83 PolarHBondContact O-N 3.02Å; D81-G83 PolarHBondContact O-N 2.98Å
84E96.9Very high97.1Very high102 Ų10253.9 Ų53.948%0.47729%0.294SS..  trans-62.2144.1173.8-169.4-174.9175.900110.5L80 D82L80-E84 HydrophobicContact CB-CB 4.23Å; L80-E84 HydrophobicContact CD1-CB 3.85Å; L80-E84 HydrophobicContact CD1-CG 4.21Å; L80-E84 WeakPolarHBondContact CD1-OE2 3.4Å; L80-E84 HydrophobicContact CG-CB 4.24Å; L80-E84 PolarHBondContact N-O 3.21Å; D82-E84 VanDerWaalsContact C-N 3.32Å; D82-E84 WeakPolarHBondContact OD1-CB 3.43Å; D82-E84 PolarHBondContact OD1-N 2.73Å
85Q97.4Very high97.1Very high105 Ų10555.5 Ų55.549%0.49130%0.301SS..EExtended strand (participates in β ladder)trans-121.3121.6179.7-61.2179.714.500110.1F78 Y79F78-Q85 VanDerWaalsContact O-CA 3.32Å; F78-Q85 WeakPolarHBondContact O-CA 3.43Å; Y79-Q85 HydrophobicContact CD1-CG 3.8Å; Y79-Q85 HydrophobicContact CE1-CG 4.03Å
86V97.8Very high97Very high32 Ų3260.5 Ų60.519%0.19432%0.323CS..EExtended strand (participates in β ladder)trans-103.7119.7176.6-175.40000108.8K77 F78 L80 V88 I105 L106K77-V86 CarbonylContact C-O 3.59Å; K77-V86 WeakPolarHBondContact CA-O 3.44Å; F78-V86 HydrophobicContact CB-CB 4.24Å; F78-V86 HydrophobicContact CD2-CB 4.47Å; F78-V86 PolarHBondContact N-O 2.98Å; F78-V86 PolarHBondContact O-N 2.9Å; L80-V86 HydrophobicContact CD1-CG2 4.25Å; V86-V88 HydrophobicContact CG1-CG2 4.32Å; V86-I105 HydrophobicContact CG1-CD1 4.32Å; V86-L106 HydrophobicContact CB-CD1 4.29Å; V86-L106 HydrophobicContact CG1-CD1 4.39Å; V86-L106 HydrophobicContact CG2-CD1 4.46Å
87L97.8Very high97Very high120 Ų12065.9 Ų65.963%0.62835%0.347SS*.EExtended strand (participates in β ladder)trans-101.2131.8175.9-172.972.8000109.9F75 K77F75-L87 HydrophobicContact CB-CD1 4.28Å; F75-L87 HydrophobicContact CD2-CD1 3.35Å; F75-L87 HydrophobicContact CE2-CD1 3.87Å; F75-L87 HydrophobicContact CG-CD1 4Å; K77-L87 HydrophobicContact CB-CD1 4.11Å; K77-L87 HydrophobicContact CD-CD1 4.46Å; K77-L87 HydrophobicContact CG-CD1 4.43Å
88V97.5Very high97Very high7 Ų763.6 Ų63.64%0.04234%0.338CS..EExtended strand (participates in β ladder)trans-127.7111.2178.5179.50000109F75 L76 F78 V86 V90 H101 I105F75-V88 CarbonylContact C-O 3.59Å; F75-V88 WeakPolarHBondContact CA-O 3.47Å; L76-V88 HydrophobicContact CB-CB 4.21Å; L76-V88 PolarHBondContact N-O 3.43Å; L76-V88 PolarHBondContact O-N 2.96Å; F78-V88 HydrophobicContact CD2-CG2 4.32Å; F78-V88 HydrophobicContact CE2-CG2 3.9Å; V86-V88 HydrophobicContact CG1-CG2 4.32Å; V88-V90 HydrophobicContact CG1-CG1 4.02Å; V88-H101 VanDerWaalsContact CG1-CD2 3.43Å; V88-H101 WeakPolarHBondContact CG1-CD2 3.42Å; V88-I105 HydrophobicContact CG2-CD1 3.39Å
89D96.9Very high96.9Very high84 Ų8464.5 Ų64.545%0.44934%0.343SS..EExtended strand (participates in β ladder)trans-69.7131.3169.6-179.718.4000110.5E91 K93D89-E91 WeakPolarHBondContact OD1-CB 3.45Å; D89-E91 PolarHBondContact OD1-N 3.03Å; D89-K93 WeakPolarHBondContact O-CE 3.02Å; D89-K93 PolarHBondContact O-NZ 3.3Å
90V97Very high96.9Very high2 Ų266.1 Ų66.11%0.01235%0.353CS..  trans-124.212.7-178.9-59.80000113.2A44 P74 L76 V88 G92 K93 I98A44-V90 HydrophobicContact CB-CG2 4.09Å; P74-V90 HydrophobicContact CB-CG2 3.9Å; P74-V90 HydrophobicContact CG-CG2 4.17Å; P74-V90 WeakPolarHBondContact O-CG2 3.44Å; P74-V90 PolarHBondContact O-N 2.95Å; L76-V90 HydrophobicContact CD1-CG1 4.04Å; L76-V90 HydrophobicContact CG-CG1 3.86Å; V88-V90 HydrophobicContact CG1-CG1 4.02Å; V90-G92 PolarHBondContact O-N 3.14Å; V90-K93 PolarHBondContact O-N 3.1Å; V90-I98 HydrophobicContact CB-CD1 3.75Å; V90-I98 HydrophobicContact CB-CG1 3.9Å; V90-I98 HydrophobicContact CG1-CB 4.47Å; V90-I98 HydrophobicContact CG1-CD1 4.15Å; V90-I98 HydrophobicContact CG1-CG1 3.89Å; V90-I98 HydrophobicContact CG1-CG2 3.83Å; V90-I98 HydrophobicContact CG2-CD1 4.36Å
91E96.4Very high96.8Very high74 Ų7469.1 Ų69.135%0.34637%0.367SS..THydrogen-bonded Turntrans-61.8134.2175.5-167.5165.1-149.800111.7L40 S73 P74 D89 K93L40-E91 HydrophobicContact CB-CG 3.81Å; L40-E91 HydrophobicContact CD1-CG 4.29Å; L40-E91 WeakPolarHBondContact CD1-OE1 3.37Å; S73-E91 WeakPolarHBondContact CB-OE2 3.46Å; P74-E91 HydrophobicContact CG-CB 4.15Å; D89-E91 WeakPolarHBondContact OD1-CB 3.45Å; D89-E91 PolarHBondContact OD1-N 3.03Å; E91-K93 PolarHBondContact O-N 3.02Å
92G95.3Very high96.8Very high54 Ų5464.6 Ų64.656%0.55734%0.343SS*.THydrogen-bonded Turntrans68.1-1178.100000115.8L40 V90L40-G92 PolarHBondContact O-N 3.47Å; V90-G92 PolarHBondContact O-N 3.14Å
93K96.6Very high96.9Very high67 Ų6761.7 Ų61.729%0.29133%0.325SS..  trans-87.6144.2179.1-63.4-177.1-172.5165.40111.2G43 D89 V90 E91 Q97 I98G43-K93 VanDerWaalsContact CA-O 3.3Å; G43-K93 WeakPolarHBondContact CA-O 3.13Å; D89-K93 WeakPolarHBondContact O-CE 3.02Å; D89-K93 PolarHBondContact O-NZ 3.3Å; V90-K93 PolarHBondContact O-N 3.1Å; E91-K93 PolarHBondContact O-N 3.02Å; K93-Q97 HydrophobicContact CB-CB 4.48Å; K93-I98 HydrophobicContact CB-CD1 4.34Å; K93-I98 HydrophobicContact CB-CG1 3.81Å
94D96.9Very high96.9Very high57 Ų5763.9 Ų63.931%0.30533%0.328SS..  trans-73.6154.7169.6-179.855.6000111.7K96 Q97 I98D94-K96 PolarHBondContact O-N 3.07Å; D94-K96 VanDerWaalsContact O-N 3.14Å; D94-K96 WeakPolarHBondContact OD2-CB 3.41Å; D94-K96 WeakPolarHBondContact OD2-CG 3.42Å; D94-K96 PolarHBondContact OD2-N 2.95Å; D94-K96 VanDerWaalsContact OD2-N 3.1Å; D94-Q97 HydrophobicContact CB-CG 4.33Å; D94-Q97 WeakPolarHBondContact O-CB 3.46Å; D94-Q97 PolarHBondContact O-N 3.05Å; D94-I98 WeakPolarHBondContact O-CG1 3.26Å; D94-I98 PolarHBondContact O-N 3.24Å
95H96.3Very high96.9Very high35 Ų3561.5 Ų61.516%0.16232%0.318CS..Hα-helixtrans-58.5-31.6-178.580.370.8000113K46 F47 N51 T99K46-H95 HydrophobicContact CB-CB 3.84Å; F47-H95 HydrophobicContact CB-CB 3.98Å; N51-H95 PolarHBondContact OD1-ND1 3.02Å; H95-T99 WeakPolarHBondContact O-CB 3.27Å; H95-T99 PolarHBondContact O-N 2.83Å; H95-T99 PolarHBondContact O-OG1 3.33Å
96K96.8Very high96.8Very high145 Ų14556.9 Ų56.963%0.6330%0.297SS*.Hα-helixtrans-70.1-41.4177.4-63.3-176.3-178.51790110.9D94 I98 T99 Q100D94-K96 PolarHBondContact O-N 3.07Å; D94-K96 VanDerWaalsContact O-N 3.14Å; D94-K96 WeakPolarHBondContact OD2-CB 3.41Å; D94-K96 WeakPolarHBondContact OD2-CG 3.42Å; D94-K96 PolarHBondContact OD2-N 2.95Å; D94-K96 VanDerWaalsContact OD2-N 3.1Å; K96-I98 VanDerWaalsContact C-N 3.35Å; K96-T99 PolarHBondContact O-N 2.96Å; K96-Q100 WeakPolarHBondContact O-CB 3.1Å; K96-Q100 PolarHBondContact O-N 2.91Å
97Q97.4Very high96.8Very high115 Ų11555.6 Ų55.654%0.53729%0.29SS..Hα-helixtrans-64-42.6176.2-64.1173.9-40.100110.9K93 D94 T99 Q100 H101K93-Q97 HydrophobicContact CB-CB 4.48Å; D94-Q97 HydrophobicContact CB-CG 4.33Å; D94-Q97 WeakPolarHBondContact O-CB 3.46Å; D94-Q97 PolarHBondContact O-N 3.05Å; Q97-T99 VanDerWaalsContact C-N 3.35Å; Q97-T99 PolarHBondContact O-N 3.3Å; Q97-Q100 PolarHBondContact O-N 3.28Å; Q97-H101 VanDerWaalsContact O-CB 3.28Å; Q97-H101 WeakPolarHBondContact O-CB 3.41Å; Q97-H101 PolarHBondContact O-N 2.8Å
98I97.5Very high96.7Very high1 Ų151.3 Ų51.31%0.00527%0.266CS..Hα-helixtrans-59.2-48.8174.7-62.2167.8000110F47 L76 V90 K93 D94 K96 Q100 H101 V102F47-I98 HydrophobicContact CB-CD1 4.21Å; F47-I98 HydrophobicContact CD1-CG2 4.3Å; F47-I98 HydrophobicContact CD2-CB 4.01Å; F47-I98 HydrophobicContact CD2-CG2 3.6Å; F47-I98 HydrophobicContact CE1-CG2 4.38Å; F47-I98 HydrophobicContact CE2-CB 4.43Å; F47-I98 HydrophobicContact CE2-CG2 3.7Å; F47-I98 HydrophobicContact CG-CB 4.46Å; F47-I98 HydrophobicContact CG-CG2 3.91Å; F47-I98 HydrophobicContact CZ-CG2 4.09Å; L76-I98 HydrophobicContact CD1-CG2 3.78Å; V90-I98 HydrophobicContact CB-CD1 3.75Å; V90-I98 HydrophobicContact CB-CG1 3.9Å; V90-I98 HydrophobicContact CG1-CB 4.47Å; V90-I98 HydrophobicContact CG1-CD1 4.15Å; V90-I98 HydrophobicContact CG1-CG1 3.89Å; V90-I98 HydrophobicContact CG1-CG2 3.83Å; V90-I98 HydrophobicContact CG2-CD1 4.36Å; K93-I98 HydrophobicContact CB-CD1 4.34Å; K93-I98 HydrophobicContact CB-CG1 3.81Å; D94-I98 WeakPolarHBondContact O-CG1 3.26Å; D94-I98 PolarHBondContact O-N 3.24Å; K96-I98 VanDerWaalsContact C-N 3.35Å; I98-Q100 PolarHBondContact O-N 2.99Å; I98-H101 PolarHBondContact O-N 2.67Å; I98-V102 HydrophobicContact CG2-CG2 4.48Å; I98-V102 WeakPolarHBondContact O-CG2 3.37Å; I98-V102 PolarHBondContact O-N 3.25Å
99T97.4Very high96.6Very high22 Ų2254.7 Ų54.714%0.13529%0.287CS..Hα-helixtrans-60.4-46.4-179.2-56.60000111.8V21 N51 H95 K96 Q97 V102 K103V21-T99 HydrophobicContact CG2-CG2 3.61Å; N51-T99 PolarHBondContact ND2-OG1 3.04Å; H95-T99 WeakPolarHBondContact O-CB 3.27Å; H95-T99 PolarHBondContact O-N 2.83Å; H95-T99 PolarHBondContact O-OG1 3.33Å; K96-T99 PolarHBondContact O-N 2.96Å; Q97-T99 VanDerWaalsContact C-N 3.35Å; Q97-T99 PolarHBondContact O-N 3.3Å; T99-V102 PolarHBondContact O-N 3.5Å; T99-K103 PolarHBondContact O-N 3.36Å
100Q97.1Very high96.5Very high101 Ų10155.2 Ų55.247%0.47229%0.29SS..Hα-helixtrans-64.3-42.7178-173.86121.700111.6K96 Q97 I98 V102 K103 T104K96-Q100 WeakPolarHBondContact O-CB 3.1Å; K96-Q100 PolarHBondContact O-N 2.91Å; Q97-Q100 PolarHBondContact O-N 3.28Å; I98-Q100 PolarHBondContact O-N 2.99Å; Q100-V102 PolarHBondContact O-N 3.22Å; Q100-K103 WeakPolarHBondContact O-CB 3.23Å; Q100-K103 PolarHBondContact O-N 3.38Å; Q100-T104 PolarHBondContact O-N 3.37Å; Q100-T104 PolarHBondContact O-OG1 3.17Å; Q100-T104 VanDerWaalsContact O-OG1 3.04Å
101H97Very high96.4Very high75 Ų7562.4 Ų62.435%0.34732%0.323SS..Hα-helixtrans-61.7-45.3178.7-17373.1000111.5V88 Q97 I98 K103 T104 I105V88-H101 VanDerWaalsContact CG1-CD2 3.43Å; V88-H101 WeakPolarHBondContact CG1-CD2 3.42Å; Q97-H101 VanDerWaalsContact O-CB 3.28Å; Q97-H101 WeakPolarHBondContact O-CB 3.41Å; Q97-H101 PolarHBondContact O-N 2.8Å; I98-H101 PolarHBondContact O-N 2.67Å; H101-K103 PolarHBondContact O-N 2.85Å; H101-T104 PolarHBondContact O-N 3.37Å; H101-I105 WeakPolarHBondContact O-CG1 3.31Å; H101-I105 PolarHBondContact O-N 3.23Å; H101-I105 VanDerWaalsContact O-N 3.11Å
102V96.8Very high96.3Very high3 Ų361.9 Ų61.92%0.01833%0.325CS..Hα-helixtrans-60.4-43.1174.9173.80000111.5V21 L23 L76 F78 I98 T99 Q100 T104 I105 L106 G107V21-V102 HydrophobicContact CG1-CG1 4.07Å; L23-V102 HydrophobicContact CD2-CG1 4.17Å; L76-V102 HydrophobicContact CD1-CG2 3.7Å; F78-V102 HydrophobicContact CE1-CG1 4.15Å; F78-V102 HydrophobicContact CE2-CG2 4.5Å; F78-V102 HydrophobicContact CZ-CG1 3.85Å; F78-V102 HydrophobicContact CZ-CG2 3.91Å; I98-V102 HydrophobicContact CG2-CG2 4.48Å; I98-V102 WeakPolarHBondContact O-CG2 3.37Å; I98-V102 PolarHBondContact O-N 3.25Å; T99-V102 PolarHBondContact O-N 3.5Å; Q100-V102 PolarHBondContact O-N 3.22Å; V102-T104 VanDerWaalsContact C-N 3.32Å; V102-T104 PolarHBondContact O-N 3.42Å; V102-I105 WeakPolarHBondContact O-CG1 3.47Å; V102-I105 PolarHBondContact O-N 2.88Å; V102-L106 PolarHBondContact O-N 3.23Å; V102-G107 PolarHBondContact O-N 3.14Å
103K96.8Very high96.3Very high41 Ų4161.5 Ų61.518%0.17831%0.31CS..Hα-helixtrans-57.1-45.4175.3-168.9-177.6-177.3-177.20111.1E20 V21 T99 Q100 H101 G107E20-K103 HydrophobicContact CB-CD 4.38Å; E20-K103 IonicContact OE2-NZ 2.67Å; E20-K103 PolarHBondContact OE2-NZ 3.21Å; V21-K103 HydrophobicContact CG2-CB 4.2Å; T99-K103 PolarHBondContact O-N 3.36Å; Q100-K103 WeakPolarHBondContact O-CB 3.23Å; Q100-K103 PolarHBondContact O-N 3.38Å; H101-K103 PolarHBondContact O-N 2.85Å; K103-G107 WeakPolarHBondContact O-CA 3.45Å; K103-G107 PolarHBondContact O-N 2.94Å
104T96.4Very high96.2Very high100 Ų10064.4 Ų64.461%0.61332%0.324SS*.Hα-helixtrans-65.2-44.6-178.9-57.70000112.9Q100 H101 V102Q100-T104 PolarHBondContact O-N 3.37Å; Q100-T104 PolarHBondContact O-OG1 3.17Å; Q100-T104 VanDerWaalsContact O-OG1 3.04Å; H101-T104 PolarHBondContact O-N 3.37Å; V102-T104 VanDerWaalsContact C-N 3.32Å; V102-T104 PolarHBondContact O-N 3.42Å
105I95.8Very high96.1Very high51 Ų5164.4 Ų64.426%0.26233%0.332SS..Hα-helixtrans-78.6-46.3-174.461.1175.9000112.6K24 V86 V88 H101 V102K24-I105 PolarHBondContact NZ-O 3.07Å; V86-I105 HydrophobicContact CG1-CD1 4.32Å; V88-I105 HydrophobicContact CG2-CD1 3.39Å; H101-I105 WeakPolarHBondContact O-CG1 3.31Å; H101-I105 PolarHBondContact O-N 3.23Å; H101-I105 VanDerWaalsContact O-N 3.11Å; V102-I105 WeakPolarHBondContact O-CG1 3.47Å; V102-I105 PolarHBondContact O-N 2.88Å
106L96.4Very high95.9Very high9 Ų965.8 Ų65.85%0.04734%0.339CS..Hα-helixtrans-129.3-0.7-165.2-71.3173.3000113L23 K24 V27 F78 L80 V86 V102L23-L106 WeakPolarHBondContact CA-O 3.29Å; L23-L106 HydrophobicContact CD2-CB 4.19Å; K24-L106 WeakPolarHBondContact CG-O 3.01Å; K24-L106 PolarHBondContact N-O 2.96Å; V27-L106 HydrophobicContact CG2-CB 4.21Å; V27-L106 HydrophobicContact CG2-CD1 4.27Å; V27-L106 HydrophobicContact CG2-CD2 3.99Å; V27-L106 HydrophobicContact CG2-CG 4.39Å; F78-L106 HydrophobicContact CB-CD1 3.65Å; F78-L106 HydrophobicContact CD1-CD1 3.47Å; F78-L106 VanDerWaalsContact CD1-CD1 3.47Å; F78-L106 HydrophobicContact CD2-CD1 3.63Å; F78-L106 HydrophobicContact CE1-CD1 4Å; F78-L106 HydrophobicContact CE2-CD1 4.13Å; F78-L106 HydrophobicContact CG-CD1 3.29Å; F78-L106 HydrophobicContact CZ-CD1 4.31Å; L80-L106 HydrophobicContact CD2-CD2 4.16Å; V86-L106 HydrophobicContact CB-CD1 4.29Å; V86-L106 HydrophobicContact CG1-CD1 4.39Å; V86-L106 HydrophobicContact CG2-CD1 4.46Å; V102-L106 PolarHBondContact O-N 3.23Å
107G96.4Very high95.6Very high4 Ų460.6 Ų60.64%0.04132%0.322CS..BIsolated β-bridgetrans-76.1152.6169.400000112.2V22 K24 V102 K103V22-G107 CarbonylContact O-C 3.59Å; V22-G107 WeakPolarHBondContact O-CA 3.34Å; K24-G107 VanDerWaalsContact CE-O 3.23Å; K24-G107 WeakPolarHBondContact CE-O 3.45Å; V102-G107 PolarHBondContact O-N 3.14Å; K103-G107 WeakPolarHBondContact O-CA 3.45Å; K103-G107 PolarHBondContact O-N 2.94Å
108K96.8Very high95.3Very high30 Ų3060.2 Ų60.213%0.1332%0.323CS..PPolyproline II helixtrans-67.9147.3165.3-64-174.7-177-1720109.5V22 K24 N25 V112 L113 E116V22-K108 HydrophobicContact CG1-CD 4.01Å; V22-K108 HydrophobicContact CG1-CG 4.48Å; V22-K108 PolarHBondContact O-N 3.32Å; K24-K108 HydrophobicContact CG-CG 4.47Å; N25-K108 WeakPolarHBondContact OD1-CE 3.45Å; N25-K108 PolarHBondContact OD1-NZ 2.8Å; K108-V112 HydrophobicContact CB-CG1 4.43Å; K108-V112 HydrophobicContact CD-CG1 4.15Å; K108-L113 HydrophobicContact CB-CD2 4.04Å; K108-L113 HydrophobicContact CB-CG 4.11Å; K108-L113 HydrophobicContact CD-CD2 3.94Å; K108-E116 VanDerWaalsContact NZ-CD 3.25Å; K108-E116 IonicContact NZ-OE1 2.66Å; K108-E116 PolarHBondContact NZ-OE1 3.24Å; K108-E116 IonicContact NZ-OE2 2.85Å; K108-E116 PolarHBondContact NZ-OE2 2.96Å
109T95.6Very high95Very high78 Ų7862.8 Ų62.848%0.47935%0.345SS..PPolyproline II helixtrans-73.8156.5172.456.70000110.4E111 V112 L113T109-E111 PolarHBondContact O-N 3.46Å; T109-V112 PolarHBondContact O-N 3.45Å; T109-V112 VanDerWaalsContact O-N 3.14Å; T109-V112 VanDerWaalsContact OG1-CG2 3.31Å; T109-V112 WeakPolarHBondContact OG1-CG2 3.48Å; T109-L113 WeakPolarHBondContact O-CG 3.31Å; T109-L113 PolarHBondContact O-N 3.27Å; T109-L113 VanDerWaalsContact O-N 3.1Å
110D93.9Very high94.5Very high96 Ų9670.1 Ų70.151%0.51337%0.37SS..Hα-helixtrans-61.6-33.5179.2-65.4-29.4000111.6V112 L113 Q114D110-V112 PolarHBondContact O-N 2.93Å; D110-L113 PolarHBondContact O-N 3.1Å; D110-Q114 WeakPolarHBondContact O-CB 3.34Å; D110-Q114 VanDerWaalsContact O-CG 3.29Å; D110-Q114 WeakPolarHBondContact O-CG 3.41Å; D110-Q114 PolarHBondContact O-N 3.5Å
111E95.2Very high93.8Very high153 Ų15371.6 Ų71.672%0.71538%0.379SS*.Hα-helixtrans-58.8-46.6173.7-63.7172.4-178.800112.2T109 L113 Q114 A115T109-E111 PolarHBondContact O-N 3.46Å; E111-L113 VanDerWaalsContact C-N 3.34Å; E111-L113 PolarHBondContact O-N 3.4Å; E111-Q114 PolarHBondContact O-N 3.01Å; E111-A115 WeakPolarHBondContact O-CB 3.37Å; E111-A115 PolarHBondContact O-N 3.3Å
112V94.9Very high92.7Very high63 Ų6375.3 Ų75.338%0.38240%0.396SS..Hα-helixtrans-65.5-40.3178171.90000110.5K108 T109 D110 A115 E116K108-V112 HydrophobicContact CB-CG1 4.43Å; K108-V112 HydrophobicContact CD-CG1 4.15Å; T109-V112 PolarHBondContact O-N 3.45Å; T109-V112 VanDerWaalsContact O-N 3.14Å; T109-V112 VanDerWaalsContact OG1-CG2 3.31Å; T109-V112 WeakPolarHBondContact OG1-CG2 3.48Å; D110-V112 PolarHBondContact O-N 2.93Å; V112-A115 PolarHBondContact O-N 3.49Å; V112-E116 HydrophobicContact CG1-CG 4.45Å; V112-E116 WeakPolarHBondContact O-CB 3.43Å; V112-E116 VanDerWaalsContact O-CG 3.31Å; V112-E116 WeakPolarHBondContact O-CG 3.44Å; V112-E116 PolarHBondContact O-N 2.85Å
113L94.6Very high91.7Very high45 Ų4579.2 Ų79.224%0.23643%0.428CS..Hα-helixtrans-65.5-39.1177.8-66.7175.2000112.2V22 K108 T109 D110 E111 A117V22-L113 HydrophobicContact CB-CD2 4.04Å; V22-L113 HydrophobicContact CG1-CD2 4.05Å; V22-L113 HydrophobicContact CG2-CD2 4.15Å; K108-L113 HydrophobicContact CB-CD2 4.04Å; K108-L113 HydrophobicContact CB-CG 4.11Å; K108-L113 HydrophobicContact CD-CD2 3.94Å; T109-L113 WeakPolarHBondContact O-CG 3.31Å; T109-L113 PolarHBondContact O-N 3.27Å; T109-L113 VanDerWaalsContact O-N 3.1Å; D110-L113 PolarHBondContact O-N 3.1Å; E111-L113 VanDerWaalsContact C-N 3.34Å; E111-L113 PolarHBondContact O-N 3.4Å; L113-A117 WeakPolarHBondContact O-CB 3.44Å; L113-A117 PolarHBondContact O-N 3.21Å
114Q94.7Very high90.9Very high129 Ų12980.2 Ų80.260%0.60345%0.445SS*.Hα-helixtrans-66.4-45175-73.4175.36.800111.3D110 E111 E116 A117 L118D110-Q114 WeakPolarHBondContact O-CB 3.34Å; D110-Q114 VanDerWaalsContact O-CG 3.29Å; D110-Q114 WeakPolarHBondContact O-CG 3.41Å; D110-Q114 PolarHBondContact O-N 3.5Å; E111-Q114 PolarHBondContact O-N 3.01Å; Q114-E116 PolarHBondContact O-N 2.66Å; Q114-A117 WeakPolarHBondContact O-CB 3.36Å; Q114-A117 PolarHBondContact O-N 3.14Å; Q114-A117 VanDerWaalsContact O-N 3.1Å; Q114-L118 WeakPolarHBondContact O-CG 3.33Å; Q114-L118 PolarHBondContact O-N 3.25Å
115A94.3Very high90.6Very high56 Ų5679.2 Ų79.246%0.46344%0.436SS..Hα-helixtrans-60-44.2175.500000112E111 V112 A117 L118 A119E111-A115 WeakPolarHBondContact O-CB 3.37Å; E111-A115 PolarHBondContact O-N 3.3Å; V112-A115 PolarHBondContact O-N 3.49Å; A115-A117 VanDerWaalsContact C-N 3.26Å; A115-A117 PolarHBondContact O-N 3.03Å; A115-L118 PolarHBondContact O-N 2.92Å; A115-A119 WeakPolarHBondContact O-CB 3.49Å; A115-A119 PolarHBondContact O-N 3.31Å
116E92.3Very high90.3Very high65 Ų6581.3 Ų81.330%0.30445%0.452SS..Hα-helixtrans-64.6-28.2174.9-74178.2-179.400113.1K108 V112 Q114 R120K108-E116 VanDerWaalsContact NZ-CD 3.25Å; K108-E116 IonicContact NZ-OE1 2.66Å; K108-E116 PolarHBondContact NZ-OE1 3.24Å; K108-E116 IonicContact NZ-OE2 2.85Å; K108-E116 PolarHBondContact NZ-OE2 2.96Å; V112-E116 HydrophobicContact CG1-CG 4.45Å; V112-E116 WeakPolarHBondContact O-CB 3.43Å; V112-E116 VanDerWaalsContact O-CG 3.31Å; V112-E116 WeakPolarHBondContact O-CG 3.44Å; V112-E116 PolarHBondContact O-N 2.85Å; Q114-E116 PolarHBondContact O-N 2.66Å; E116-R120 WeakPolarHBondContact O-CG 3.41Å; E116-R120 PolarHBondContact O-N 3.42Å; E116-R120 PolarHBondContact O-NE 3.22Å
117A91.3Very high90.1Very high35 Ų3584.1 Ų84.129%0.28948%0.477SS..Hα-helixtrans-75.1-44.5174.300000111.4L113 Q114 A115 R120 M121L113-A117 WeakPolarHBondContact O-CB 3.44Å; L113-A117 PolarHBondContact O-N 3.21Å; Q114-A117 WeakPolarHBondContact O-CB 3.36Å; Q114-A117 PolarHBondContact O-N 3.14Å; Q114-A117 VanDerWaalsContact O-N 3.1Å; A115-A117 VanDerWaalsContact C-N 3.26Å; A115-A117 PolarHBondContact O-N 3.03Å; A117-R120 PolarHBondContact O-N 2.89Å; A117-M121 WeakPolarHBondContact O-CG 3.29Å; A117-M121 PolarHBondContact O-N 3.1Å; A117-M121 VanDerWaalsContact O-N 3.11Å
118L91.3Very high90Very high107 Ų10787.7 Ų87.756%0.5650%0.495SS*.Hα-helixtrans-62.5-46.8177-70.7171.6000111.6Q114 A115 R120 M121 E122Q114-L118 WeakPolarHBondContact O-CG 3.33Å; Q114-L118 PolarHBondContact O-N 3.25Å; A115-L118 PolarHBondContact O-N 2.92Å; L118-R120 PolarHBondContact O-N 3.35Å; L118-M121 WeakPolarHBondContact O-CA 3.45Å; L118-M121 WeakPolarHBondContact O-CB 3.47Å; L118-M121 PolarHBondContact O-N 2.92Å; L118-E122 PolarHBondContact O-N 2.93Å
119A90.4Very high90Very high55 Ų5590.8 Ų90.846%0.45551%0.509SS..Hα-helixtrans-59.4-33.1176.800000112.7A115A115-A119 WeakPolarHBondContact O-CB 3.49Å; A115-A119 PolarHBondContact O-N 3.31Å
120R86.1Confident89.9Confident176 Ų17687.8 Ų87.866%0.66449%0.493SS*.Hα-helixtrans-71.3-31.4173.1-82.8-177.8-74.6176.4-3.8113E116 A117 L118E116-R120 WeakPolarHBondContact O-CG 3.41Å; E116-R120 PolarHBondContact O-N 3.42Å; E116-R120 PolarHBondContact O-NE 3.22Å; A117-R120 PolarHBondContact O-N 2.89Å; L118-R120 PolarHBondContact O-N 3.35Å
121M83.1Confident90Very high132 Ų13287.1 Ų87.165%0.6549%0.494SS*.Hα-helixtrans-71.6-39174.8-69.7177.5177.800111.6A117 L118 A123 A124A117-M121 WeakPolarHBondContact O-CG 3.29Å; A117-M121 PolarHBondContact O-N 3.1Å; A117-M121 VanDerWaalsContact O-N 3.11Å; L118-M121 WeakPolarHBondContact O-CA 3.45Å; L118-M121 WeakPolarHBondContact O-CB 3.47Å; L118-M121 PolarHBondContact O-N 2.92Å; M121-A123 PolarHBondContact O-N 2.9Å; M121-A124 WeakPolarHBondContact O-CA 3.46Å; M121-A124 PolarHBondContact O-N 2.88Å
122E74.3Confident89.9Confident154 Ų15486.6 Ų86.672%0.7249%0.49SS*.Hα-helixtrans-57.7-32.3176.4-71.7177.9172.100112.6L118 A124L118-E122 PolarHBondContact O-N 2.93Å; E122-A124 PolarHBondContact O-N 3.35Å
123A74.7Confident89.8Confident84 Ų8491.5 Ų91.569%0.69451%0.506SS*.THydrogen-bonded Turntrans-62.6-23.8174.400000113.3M121 N125M121-A123 PolarHBondContact O-N 2.9Å; A123-N125 PolarHBondContact O-N 3.11Å
124A81.3Confident89.6Confident63 Ų6397 Ų9752%0.52153%0.525SS..SBendtrans-96.471175.800000110.5M121 E122 P126M121-A124 WeakPolarHBondContact O-CA 3.46Å; M121-A124 PolarHBondContact O-N 2.88Å; E122-A124 PolarHBondContact O-N 3.35Å; A124-P126 VanDerWaalsContact O-CD 3.24Å; A124-P126 WeakPolarHBondContact O-CD 3.41Å
125N88.6Confident89.5Confident79 Ų7991.9 Ų91.942%0.42250%0.503SS..  trans-64.8117.4-179.7-178.1-2.8000111.6A123 A127 N128A123-N125 PolarHBondContact O-N 3.11Å; N125-A127 PolarHBondContact O-N 3.48Å; N125-A127 VanDerWaalsContact O-N 3.16Å; N125-A127 WeakPolarHBondContact OD1-CB 3.41Å; N125-A127 PolarHBondContact OD1-N 2.88Å; N125-N128 WeakPolarHBondContact O-CB 3.24Å; N125-N128 PolarHBondContact O-N 2.86Å; N125-N128 VanDerWaalsContact O-N 3.13Å
126P90.6Very high89.5Confident94 Ų9495.4 Ų95.461%0.6151%0.513SS*.THydrogen-bonded Turntrans-63-20.2-179.7-23.435000114.9A124 N128 L136A124-P126 VanDerWaalsContact O-CD 3.24Å; A124-P126 WeakPolarHBondContact O-CD 3.41Å; P126-N128 VanDerWaalsContact C-N 3.27Å; P126-L136 HydrophobicContact CB-CD1 4.01Å
127A92.2Very high89.6Confident68 Ų6896.1 Ų96.156%0.56252%0.515SS*.THydrogen-bonded Turntrans-78.5-11.3178.700000113.3N125 F129N125-A127 PolarHBondContact O-N 3.48Å; N125-A127 VanDerWaalsContact O-N 3.16Å; N125-A127 WeakPolarHBondContact OD1-CB 3.41Å; N125-A127 PolarHBondContact OD1-N 2.88Å; A127-F129 WeakPolarHBondContact O-CD2 3.29Å
128N93.9Very high89.8Confident80 Ų8098.9 Ų98.943%0.42852%0.522SS..  trans-72.6139.1178.6-68.9-9000110.8N125 P126 C135N125-N128 WeakPolarHBondContact O-CB 3.24Å; N125-N128 PolarHBondContact O-N 2.86Å; N125-N128 VanDerWaalsContact O-N 3.13Å; P126-N128 VanDerWaalsContact C-N 3.27Å; N128-C135 WeakPolarHBondContact O-CB 3.45Å
129F96Very high90Very high95 Ų9596.8 Ų96.842%0.41752%0.516SS..BIsolated β-bridgetrans-103.8137.4169.8-65.7-94.1000109.7A127 K137 I140 V143A127-F129 WeakPolarHBondContact O-CD2 3.29Å; F129-K137 CarbonylContact C-O 3.58Å; F129-K137 VanDerWaalsContact CA-O 3.29Å; F129-K137 WeakPolarHBondContact CA-O 3.26Å; F129-K137 HydrophobicContact CD1-CB 3.62Å; F129-K137 HydrophobicContact CE1-CB 3.71Å; F129-K137 HydrophobicContact CE1-CD 3.78Å; F129-K137 HydrophobicContact CE1-CG 4.38Å; F129-K137 HydrophobicContact CZ-CD 4.38Å; F129-I140 HydrophobicContact CE1-CB 4.13Å; F129-I140 HydrophobicContact CE1-CG1 4.09Å; F129-I140 HydrophobicContact CZ-CB 4.34Å; F129-I140 HydrophobicContact CZ-CG1 3.88Å; F129-V143 HydrophobicContact CE1-CG2 3.92Å; F129-V143 HydrophobicContact CZ-CG2 3.97Å
130G95.1Very high90.3Very high15 Ų1598.3 Ų98.316%0.15552%0.515CS..SBendtrans166.5-174.2-177.400000112.4K132 C135 K137 E138G130-K132 PolarHBondContact O-N 2.99Å; G130-C135 WeakPolarHBondContact O-CB 3.5Å; G130-K137 PolarHBondContact N-O 3.07Å; G130-K137 VanDerWaalsContact O-O 3.1Å; G130-E138 VanDerWaalsContact O-CA 3.26Å; G130-E138 WeakPolarHBondContact O-CA 3.26Å; G130-E138 VanDerWaalsContact O-CG 3.26Å; G130-E138 WeakPolarHBondContact O-CG 3.49Å
131P95.4Very high90.8Very high82 Ų8291.7 Ų91.753%0.53250%0.496SS..  trans-53140.4-174.9-25.633.8000112.9K133 Y134 C135P131-K133 PolarHBondContact O-N 2.92Å; P131-Y134 HydrophobicContact CB-CD2 4.43Å; P131-Y134 PolarHBondContact O-N 3.01Å; P131-C135 PolarHBondContact O-N 3.13Å
132K92.1Very high91.3Very high142 Ų14289.5 Ų89.562%0.61748%0.484SS*.THydrogen-bonded Turntrans-52.3-19.3-178.8-83.4172.9-169.1-174.30115.9G130 Y134 C135 E138G130-K132 PolarHBondContact O-N 2.99Å; K132-Y134 VanDerWaalsContact C-N 3.28Å; K132-Y134 PolarHBondContact O-N 3.1Å; K132-C135 WeakPolarHBondContact CA-O 3.36Å; K132-E138 WeakPolarHBondContact CE-OE2 3.47Å; K132-E138 HydrophobicContact CG-CG 3.83Å; K132-E138 WeakPolarHBondContact CG-OE1 3.41Å; K132-E138 PolarHBondContact N-OE1 3.16Å
133K93.3Very high92.3Very high166 Ų16684 Ų8472%0.72246%0.461SS*.THydrogen-bonded Turntrans-64.9-31.3174.6-175.2177172.5-163.20112.7P131P131-K133 PolarHBondContact O-N 2.92Å
134Y90.4Very high93.3Very high160 Ų16089 Ų8963%0.62747%0.47SS*.THydrogen-bonded Turntrans-123.6-28.1-170.3-50.9-66.8000113.3P131 K132P131-Y134 HydrophobicContact CB-CD2 4.43Å; P131-Y134 PolarHBondContact O-N 3.01Å; K132-Y134 VanDerWaalsContact C-N 3.28Å; K132-Y134 PolarHBondContact O-N 3.1Å
135C93Very high94Very high22 Ų2290.1 Ų90.115%0.14949%0.487CS..  trans-121.2155.3-177-59.50000110.2N128 G130 P131 K132N128-C135 WeakPolarHBondContact O-CB 3.45Å; G130-C135 WeakPolarHBondContact O-CB 3.5Å; P131-C135 PolarHBondContact O-N 3.13Å; K132-C135 WeakPolarHBondContact CA-O 3.36Å
136L93.3Very high94.4Very high129 Ų12991.1 Ų91.168%0.67549%0.49SS*.SBendtrans-74.6-30179.1-61.9175.2000112.4P126P126-L136 HydrophobicContact CB-CD1 4.01Å
137K94.5Very high94.6Very high80 Ų8090.8 Ų90.835%0.34849%0.485SS..BIsolated β-bridgetrans-129.1137.5-175.9-59.4178.8-172.9176.60109.6F129 G130 E142 V143F129-K137 CarbonylContact C-O 3.58Å; F129-K137 VanDerWaalsContact CA-O 3.29Å; F129-K137 WeakPolarHBondContact CA-O 3.26Å; F129-K137 HydrophobicContact CD1-CB 3.62Å; F129-K137 HydrophobicContact CE1-CB 3.71Å; F129-K137 HydrophobicContact CE1-CD 3.78Å; F129-K137 HydrophobicContact CE1-CG 4.38Å; F129-K137 HydrophobicContact CZ-CD 4.38Å; G130-K137 PolarHBondContact N-O 3.07Å; G130-K137 VanDerWaalsContact O-O 3.1Å; K137-E142 WeakPolarHBondContact CA-OE2 3.45Å; K137-V143 HydrophobicContact CD-CG2 3.83Å
138E95.9Very high94.8Very high93 Ų9390 Ų9044%0.43548%0.475SS..SBendtrans-89-42.1179.7-70.4179.1149.300111.9G130 K132 E142G130-E138 VanDerWaalsContact O-CA 3.26Å; G130-E138 WeakPolarHBondContact O-CA 3.26Å; G130-E138 VanDerWaalsContact O-CG 3.26Å; G130-E138 WeakPolarHBondContact O-CG 3.49Å; K132-E138 WeakPolarHBondContact CE-OE2 3.47Å; K132-E138 HydrophobicContact CG-CG 3.83Å; K132-E138 WeakPolarHBondContact CG-OE1 3.41Å; K132-E138 PolarHBondContact N-OE1 3.16Å; E138-E142 PolarHBondContact N-OE1 3.49Å; E138-E142 VanDerWaalsContact N-OE1 3.1Å
139C95.8Very high94.9Very high63 Ų6388.7 Ų88.743%0.42647%0.471SS..SBendtrans-132.2151.7179.2-174.80000110C141 E142C139-C141 VanDerWaalsContact CB-SG 3.6Å; C139-C141 PolarHBondContact O-N 3.17Å; C139-C141 VanDerWaalsContact O-N 3.17Å; C139-E142 WeakPolarHBondContact O-CB 3.48Å; C139-E142 PolarHBondContact O-N 3.19Å
140I97.1Very high94.9Very high87 Ų8788.2 Ų88.245%0.44648%0.478SS..G310 helixtrans-66-16.9178.6-155.2175.6000112.8F129 E142 V143 Q146F129-I140 HydrophobicContact CE1-CB 4.13Å; F129-I140 HydrophobicContact CE1-CG1 4.09Å; F129-I140 HydrophobicContact CZ-CB 4.34Å; F129-I140 HydrophobicContact CZ-CG1 3.88Å; I140-E142 PolarHBondContact O-N 3.04Å; I140-E142 VanDerWaalsContact O-N 3.11Å; I140-V143 HydrophobicContact CG1-CB 4.49Å; I140-V143 HydrophobicContact CG1-CG2 4.08Å; I140-V143 VanDerWaalsContact O-CB 3.31Å; I140-V143 WeakPolarHBondContact O-CB 3.47Å; I140-V143 WeakPolarHBondContact O-CG2 3.39Å; I140-V143 PolarHBondContact O-N 3.45Å; I140-Q146 HydrophobicContact CG1-CG 4.17Å
141C95.3Very high94.9Very high38 Ų3891.1 Ų91.126%0.25751%0.508SS..G310 helixtrans-63.1-14.3174.367.60000113.7C139 V143 V147 C149C139-C141 VanDerWaalsContact CB-SG 3.6Å; C139-C141 PolarHBondContact O-N 3.17Å; C139-C141 VanDerWaalsContact O-N 3.17Å; C141-V143 VanDerWaalsContact C-N 3.25Å; C141-V147 WeakPolarHBondContact CB-O 3.42Å; C141-C149 HydrophobicContact CB-CB 4.24Å
142E94.5Very high94.8Very high85 Ų8592.4 Ų92.440%0.39751%0.514SS..G310 helixtrans-78-9.9171.9-62.5174-150.400112.7K137 E138 C139 I140K137-E142 WeakPolarHBondContact CA-OE2 3.45Å; E138-E142 PolarHBondContact N-OE1 3.49Å; E138-E142 VanDerWaalsContact N-OE1 3.1Å; C139-E142 WeakPolarHBondContact O-CB 3.48Å; C139-E142 PolarHBondContact O-N 3.19Å; I140-E142 PolarHBondContact O-N 3.04Å; I140-E142 VanDerWaalsContact O-N 3.11Å
143V95.7Very high94.9Very high39 Ų3989 Ų8924%0.23651%0.506CS..SBendtrans-90124.1178.6-173.80000109.3F129 K137 I140 C141 Q146F129-V143 HydrophobicContact CE1-CG2 3.92Å; F129-V143 HydrophobicContact CZ-CG2 3.97Å; K137-V143 HydrophobicContact CD-CG2 3.83Å; I140-V143 HydrophobicContact CG1-CB 4.49Å; I140-V143 HydrophobicContact CG1-CG2 4.08Å; I140-V143 VanDerWaalsContact O-CB 3.31Å; I140-V143 WeakPolarHBondContact O-CB 3.47Å; I140-V143 WeakPolarHBondContact O-CG2 3.39Å; I140-V143 PolarHBondContact O-N 3.45Å; C141-V143 VanDerWaalsContact C-N 3.25Å; V143-Q146 HydrophobicContact CB-CG 3.84Å; V143-Q146 HydrophobicContact CG1-CG 4.17Å; V143-Q146 VanDerWaalsContact O-CB 3.27Å; V143-Q146 WeakPolarHBondContact O-CB 3.4Å; V143-Q146 WeakPolarHBondContact O-CG 3.47Å; V143-Q146 PolarHBondContact O-N 3.39Å; V143-Q146 VanDerWaalsContact O-N 3.16Å
144E95.3Very high95Very high190 Ų19086.6 Ų86.689%0.88851%0.506SS*.THydrogen-bonded Turntrans-56.4142.8176.5-64.3-177.3173.300111.8Q146E144-Q146 PolarHBondContact O-N 3.5Å
145G95.6Very high95.3Very high86 Ų8681.3 Ų81.389%0.88749%0.489SS*.THydrogen-bonded Turntrans82.2-8.4-17500000114.8
146Q96.6Very high95.4Very high100 Ų10083.6 Ų83.647%0.46750%0.504SS..SBendtrans-88168.1173.2-58-62.1-33.700112.1I140 V143 E144I140-Q146 HydrophobicContact CG1-CG 4.17Å; V143-Q146 HydrophobicContact CB-CG 3.84Å; V143-Q146 HydrophobicContact CG1-CG 4.17Å; V143-Q146 VanDerWaalsContact O-CB 3.27Å; V143-Q146 WeakPolarHBondContact O-CB 3.4Å; V143-Q146 WeakPolarHBondContact O-CG 3.47Å; V143-Q146 PolarHBondContact O-N 3.39Å; V143-Q146 VanDerWaalsContact O-N 3.16Å; E144-Q146 PolarHBondContact O-N 3.5Å
147V96.1Very high95.5Very high86 Ų8684.7 Ų84.752%0.52150%0.503SS..PPolyproline II helixtrans-66.5125.8175.8-178.30000109.4C141 L155C141-V147 WeakPolarHBondContact CB-O 3.42Å; V147-L155 HydrophobicContact CG1-CD1 4.27Å; V147-L155 HydrophobicContact CG1-CD2 3.7Å
148P96.2Very high95.6Very high52 Ų5286.1 Ų86.134%0.33851%0.511SS..PPolyproline II helixtrans-69.1158.9179.429.5-35.5000111.4T153 L155P148-T153 HydrophobicContact CG-CG2 4.34Å; P148-L155 HydrophobicContact CG-CD2 4.41Å
149C96.7Very high95.5Very high53 Ų5386.4 Ų86.436%0.35851%0.513SS..PPolyproline II helixtrans-66.6133.8177.2-173.60000110.4C141 G151 T152 T153C141-C149 HydrophobicContact CB-CB 4.24Å; C149-G151 PolarHBondContact O-N 3.05Å; C149-G151 VanDerWaalsContact O-N 3.07Å; C149-T152 PolarHBondContact O-N 3.05Å; C149-T152 PolarHBondContact O-OG1 3.39Å; C149-T153 PolarHBondContact O-N 3.25Å
150P95.9Very high95.5Very high85 Ų8586.1 Ų86.155%0.55251%0.509SS*.THydrogen-bonded Turntrans-56.6-26.5175.8-25.633.2000114T152 T153 L155P150-T152 VanDerWaalsContact C-N 3.31Å; P150-T153 WeakPolarHBondContact CA-O 3.42Å; P150-L155 HydrophobicContact CB-CG 4.48Å; P150-L155 HydrophobicContact CG-CD1 3.84Å; P150-L155 HydrophobicContact CG-CG 4.07Å
151G94.5Very high95.4Very high76 Ų7684.8 Ų84.878%0.78452%0.517SS*.THydrogen-bonded Turntrans-69.6-24.9176.800000114C149C149-G151 PolarHBondContact O-N 3.05Å; C149-G151 VanDerWaalsContact O-N 3.07Å
152T93.8Very high95.4Very high109 Ų10990.7 Ų90.767%0.66954%0.539SS*.THydrogen-bonded Turntrans-99.8-38.5176.455.40000111.9C149 P150C149-T152 PolarHBondContact O-N 3.05Å; C149-T152 PolarHBondContact O-OG1 3.39Å; P150-T152 VanDerWaalsContact C-N 3.31Å
153T93.5Very high95.5Very high71 Ų7190.7 Ų90.744%0.43654%0.535SS..SBendtrans-138.5113.6-176.2-49.80000109.2P148 C149 P150 L155P148-T153 HydrophobicContact CG-CG2 4.34Å; C149-T153 PolarHBondContact O-N 3.25Å; P150-T153 WeakPolarHBondContact CA-O 3.42Å; T153-L155 PolarHBondContact O-N 3.21Å
154P95.3Very high95.5Very high114 Ų11496.1 Ų96.174%0.7455%0.552SS**PPolyproline II helixtrans-57130.9177.4-2534000111.4
155L95.7Very high95.5Very high49 Ų4989.9 Ų89.926%0.25753%0.533SS..PPolyproline II helixtrans-76.8158.2176.6-60.4-175.8000111.3V147 P148 P150 T153 M159V147-L155 HydrophobicContact CG1-CD1 4.27Å; V147-L155 HydrophobicContact CG1-CD2 3.7Å; P148-L155 HydrophobicContact CG-CD2 4.41Å; P150-L155 HydrophobicContact CB-CG 4.48Å; P150-L155 HydrophobicContact CG-CD1 3.84Å; P150-L155 HydrophobicContact CG-CG 4.07Å; T153-L155 PolarHBondContact O-N 3.21Å; L155-M159 HydrophobicContact CD1-CE 4.47Å
156P96.7Very high95.5Very high71 Ų7191.3 Ų91.346%0.46152%0.516SS..PPolyproline II helixtrans-53.6147.5175.3-25.434.4000112.8E158 M159P156-E158 WeakPolarHBondContact CB-OE2 3.27Å; P156-E158 PolarHBondContact O-N 3.34Å; P156-M159 HydrophobicContact CG-SD 4.5Å; P156-M159 WeakPolarHBondContact O-CB 3.31Å; P156-M159 PolarHBondContact O-N 3.46Å
157K95.5Very high95.3Very high152 Ų15290.7 Ų90.766%0.66152%0.515SS*.G310 helixtrans-59.6-34.8-174.7-70.2-179-179175.50111.6M159 T160 Y163K157-M159 PolarHBondContact O-N 3.22Å; K157-M159 VanDerWaalsContact O-N 3.17Å; K157-T160 WeakPolarHBondContact O-CB 3.47Å; K157-T160 PolarHBondContact O-N 2.92Å; K157-T160 PolarHBondContact O-OG1 2.96Å; K157-Y163 HydrophobicContact CB-CG 4.45Å; K157-Y163 VanDerWaalsContact O-CB 3.25Å; K157-Y163 WeakPolarHBondContact O-CB 3.41Å; K157-Y163 WeakPolarHBondContact O-CD1 3.49Å
158E95.6Very high95.2Very high110 Ų11089 Ų8951%0.51451%0.51SS..G310 helixtrans-61.7-21.7178.4-54.673.7-158.100112.4P156 Y163 R164P156-E158 WeakPolarHBondContact CB-OE2 3.27Å; P156-E158 PolarHBondContact O-N 3.34Å; E158-Y163 HydrophobicContact CG-CE1 4.31Å; E158-R164 PolarHBondContact O-NE 3.21Å; E158-R164 PolarHBondContact O-NH2 3.34Å
159M94.2Very high95.1Very high99 Ų9989.8 Ų89.849%0.48852%0.521SS..G310 helixtrans-92.8-8.3175.4-63.7-1757100113.5L155 P156 K157L155-M159 HydrophobicContact CD1-CE 4.47Å; P156-M159 HydrophobicContact CG-SD 4.5Å; P156-M159 WeakPolarHBondContact O-CB 3.31Å; P156-M159 PolarHBondContact O-N 3.46Å; K157-M159 PolarHBondContact O-N 3.22Å; K157-M159 VanDerWaalsContact O-N 3.17Å
160T94.9Very high94.7Very high56 Ų5691.1 Ų91.134%0.34454%0.535SS..SBendtrans-83.1137.1-179.869.10000111.7K157 K162 Y163 R164K157-T160 WeakPolarHBondContact O-CB 3.47Å; K157-T160 PolarHBondContact O-N 2.92Å; K157-T160 PolarHBondContact O-OG1 2.96Å; T160-K162 VanDerWaalsContact C-N 3.31Å; T160-K162 PolarHBondContact O-N 3.07Å; T160-Y163 PolarHBondContact O-N 2.92Å; T160-Y163 VanDerWaalsContact OG1-CB 3.3Å; T160-Y163 WeakPolarHBondContact OG1-CB 3.4Å; T160-R164 PolarHBondContact O-N 3.11Å
161G96Very high93.9Very high59 Ų5994.5 Ų94.561%0.60854%0.544SS*.Hα-helixtrans-60.5-37.6-179.300000113.6R164 A165G161-R164 PolarHBondContact O-N 2.96Å; G161-A165 WeakPolarHBondContact O-CB 3.47Å; G161-A165 PolarHBondContact O-N 3.43Å
162K96.1Very high92.3Very high163 Ų163100.4 Ų100.471%0.70956%0.557SS**Hα-helixtrans-61.3-45.7178.7-176.3178.4179.5179.10112.4T160 A165 Q166T160-K162 VanDerWaalsContact C-N 3.31Å; T160-K162 PolarHBondContact O-N 3.07Å; K162-A165 PolarHBondContact O-N 3.17Å; K162-Q166 WeakPolarHBondContact O-CG 3.46Å; K162-Q166 PolarHBondContact O-N 3.31Å
163Y95.8Very high92.2Very high84 Ų84100 Ų10033%0.32955%0.552SS.*Hα-helixtrans-67.5-43.7-179.6179.9-100.4000111.5K157 E158 T160 A165 Q166 M167K157-Y163 HydrophobicContact CB-CG 4.45Å; K157-Y163 VanDerWaalsContact O-CB 3.25Å; K157-Y163 WeakPolarHBondContact O-CB 3.41Å; K157-Y163 WeakPolarHBondContact O-CD1 3.49Å; E158-Y163 HydrophobicContact CG-CE1 4.31Å; T160-Y163 PolarHBondContact O-N 2.92Å; T160-Y163 VanDerWaalsContact OG1-CB 3.3Å; T160-Y163 WeakPolarHBondContact OG1-CB 3.4Å; Y163-A165 VanDerWaalsContact C-N 3.32Å; Y163-A165 PolarHBondContact O-N 3.04Å; Y163-Q166 PolarHBondContact O-N 2.71Å; Y163-M167 HydrophobicContact CD1-CG 4.28Å; Y163-M167 HydrophobicContact CE1-CG 3.87Å; Y163-M167 HydrophobicContact CE2-CG 4.35Å; Y163-M167 HydrophobicContact CE2-SD 4.49Å; Y163-M167 WeakPolarHBondContact O-CG 3.5Å; Y163-M167 PolarHBondContact O-N 2.95Å
164R95.3Very high92.2Very high153 Ų153101.5 Ų101.558%0.57756%0.558SS**Hα-helixtrans-59.2-41.6176.4-69.8-178.1178.6-169.8-2.5112.5E158 T160 G161 M167 A168E158-R164 PolarHBondContact O-NE 3.21Å; E158-R164 PolarHBondContact O-NH2 3.34Å; T160-R164 PolarHBondContact O-N 3.11Å; G161-R164 PolarHBondContact O-N 2.96Å; R164-M167 PolarHBondContact O-N 3.43Å; R164-A168 PolarHBondContact O-N 3Å
165A96.2Very high92Very high60 Ų60100.8 Ų100.850%0.49655%0.548SS..Hα-helixtrans-64.6-40.5177.900000112.7G161 K162 Y163 A168 A169G161-A165 WeakPolarHBondContact O-CB 3.47Å; G161-A165 PolarHBondContact O-N 3.43Å; K162-A165 PolarHBondContact O-N 3.17Å; Y163-A165 VanDerWaalsContact C-N 3.32Å; Y163-A165 PolarHBondContact O-N 3.04Å; A165-A168 PolarHBondContact O-N 2.79Å; A165-A169 WeakPolarHBondContact O-CB 3.3Å; A165-A169 PolarHBondContact O-N 2.96Å
166Q95.1Very high91.8Very high115 Ų115103.8 Ų103.854%0.53757%0.565SS.*Hα-helixtrans-65.4-40.3176.4-71.7175.8-23.900112.3K162 Y163 A170K162-Q166 WeakPolarHBondContact O-CG 3.46Å; K162-Q166 PolarHBondContact O-N 3.31Å; Y163-Q166 PolarHBondContact O-N 2.71Å; Q166-A170 WeakPolarHBondContact O-CB 3.25Å; Q166-A170 PolarHBondContact O-N 3.19Å; Q166-A170 VanDerWaalsContact O-N 3.17Å
167M93.1Very high91.5Very high88 Ų88105.9 Ų105.943%0.43357%0.571SS.*Hα-helixtrans-65.8-40.4177-71.6-61.7-6100112.1Y163 R164 A170 Q171Y163-M167 HydrophobicContact CD1-CG 4.28Å; Y163-M167 HydrophobicContact CE1-CG 3.87Å; Y163-M167 HydrophobicContact CE2-CG 4.35Å; Y163-M167 HydrophobicContact CE2-SD 4.49Å; Y163-M167 WeakPolarHBondContact O-CG 3.5Å; Y163-M167 PolarHBondContact O-N 2.95Å; R164-M167 PolarHBondContact O-N 3.43Å; M167-A170 PolarHBondContact O-N 3.42Å; M167-Q171 WeakPolarHBondContact O-CG 3.16Å
168A93.1Very high91.2Very high50 Ų50102.8 Ų102.841%0.41357%0.565SS.*Hα-helixtrans-65.1-46.1176.300000111.8R164 A165 A170 Q171 D172R164-A168 PolarHBondContact O-N 3Å; A165-A168 PolarHBondContact O-N 2.79Å; A168-A170 PolarHBondContact O-N 3.17Å; A168-Q171 WeakPolarHBondContact O-CB 3.47Å; A168-Q171 PolarHBondContact O-N 3.16Å; A168-D172 PolarHBondContact O-N 3.33Å
169A93.6Very high90.9Very high69 Ų69102.3 Ų102.357%0.5757%0.569SS**Hα-helixtrans-66.7-18.3178.800000114.2A165A165-A169 WeakPolarHBondContact O-CB 3.3Å; A165-A169 PolarHBondContact O-N 2.96Å
170A88.4Confident90.6Very high80 Ų80102.5 Ų102.566%0.66158%0.575SS**THydrogen-bonded Turntrans-87.1-7.2173.900000113Q166 M167 A168Q166-A170 WeakPolarHBondContact O-CB 3.25Å; Q166-A170 PolarHBondContact O-N 3.19Å; Q166-A170 VanDerWaalsContact O-N 3.17Å; M167-A170 PolarHBondContact O-N 3.42Å; A168-A170 PolarHBondContact O-N 3.17Å
171Q80.8Confident90.3Very high156 Ų156106.4 Ų106.473%0.72959%0.594SS**THydrogen-bonded Turntrans-100.8-15.2177.7-71174.8-9.500112.9M167 A168M167-Q171 WeakPolarHBondContact O-CG 3.16Å; A168-Q171 WeakPolarHBondContact O-CB 3.47Å; A168-Q171 PolarHBondContact O-N 3.16Å
172D59.8Low89.7Confident200 Ų200110.7 Ų110.7100%1.0759%0.593SS**  trans-85.20168.1-70.2-30.4000111.2A168A168-D172 PolarHBondContact O-N 3.33Å

Retrieved 172 of 172 residues in 1205.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).