A0A087XKH6_POEFO Loading...

Large ribosomal subunit protein bL27m

AlphaFold DB , UniProt , Accession A0A087XKH6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 152 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.3Very low35.9Very low227 Ų227146.6 Ų146.6100%1.11883%0.828SS**  0131.40-73.6167.288.900107.2
2T34.8Very low36.3Very low129 Ų129148.8 Ų148.879%0.79183%0.834SS**  trans59139.8163.657.10000116.2
3Q30.7Very low36.4Very low156 Ų156150.1 Ų150.173%0.72983%0.833SS**  cis-177.1146.62.3-108.3-168.9-20.600104.2
4F36.8Very low36.6Very low159 Ų159149.4 Ų149.470%0.69783%0.826SS**  trans48.1129.6141.7-71.1-100.1000122.3
5K33.5Very low36.7Very low201 Ų201151.2 Ų151.287%0.87482%0.822SS**  -172.9103.1124-100.8161.6-179.4-1790107.5
6M35.6Very low36.9Very low167 Ų167148.1 Ų148.182%0.82382%0.815SS**  37.9105.987-68.7-63.2159.600113.3
7A39.6Very low37.4Very low105 Ų105153.8 Ų153.887%0.86882%0.822SS**  trans-123.7141.6166.300000108.9
8A39.8Very low37.5Very low101 Ų101151 Ų15184%0.83582%0.824SS**  trans-86.4163.3-157.500000115.1
9L39.3Very low37.8Very low174 Ų174146.7 Ų146.791%0.91182%0.818SS**  trans-54148.4159.8-83116.1000113.4
10A34.9Very low37.7Very low87 Ų87147.4 Ų147.472%0.71982%0.819SS**  trans-176.3104.6138.500000109.1
11S36.7Very low38Very low107 Ų107147.7 Ų147.775%0.74882%0.819SS**  74.9119.799.573.50000115.2
12L40.4Very low38.6Very low172 Ų172143.7 Ų143.790%0.90181%0.806SS**  -171.9126110.4-149.972.7000110.4
13M37.6Very low39.4Very low166 Ų166142 Ų14282%0.81880%0.8SS**  trans-80.9167.7169.4-79-79178.400111.4
14L39Very low40.6Very low140 Ų140140 Ų14073%0.73380%0.803SS**  trans95.5130.4173.9-75.161.1000113.6
15K38.2Very low41.2Very low177 Ų177139.7 Ų139.777%0.7780%0.804SS**  cis-167138.213-119.2161.8-172.8-172.70109.4
16S40.4Very low42.1Very low102 Ų102134.8 Ų134.871%0.71380%0.795SS**  trans31.4125.6137.6124.70000119.2
17R45.9Very low42.9Very low245 Ų245135.4 Ų135.493%0.92579%0.789SS**  -169.1149110.3-103.6174.2179.2-166.6-0.8111.7
18A38.1Very low43.6Very low103 Ų103137.9 Ų137.985%0.85179%0.787SS**  trans-72.6142.6-169.500000114.4
19G43.2Very low44.4Very low70 Ų70139.9 Ų139.972%0.72278%0.783SS**  trans26.6137.2146.300000122.7
20L36.8Very low45.4Very low160 Ų160138.3 Ų138.384%0.83878%0.776SS**  -167.6125.9119.3-120.1107.5000112.2
21L42.6Very low46.7Very low154 Ų154138.7 Ų138.781%0.80677%0.773SS**  trans41.1110.4145.1-53.3178.8000120.9
22V47.2Very low48.2Very low142 Ų142138.1 Ų138.186%0.86177%0.765SS**  trans-114.5128.6145.91680000108.3S24V22-S24 PolarHBondContact O-N 3.4Å
23S51.2Low49.3Very low94 Ų94140.9 Ų140.966%0.65776%0.763SS**  trans-52.5125.3178.138.30000112.3E25S23-E25 VanDerWaalsContact C-N 3.26Å; S23-E25 PolarHBondContact O-N 3.04Å
24S55.3Low50.8Low115 Ų115141.4 Ų141.480%0.80476%0.761SS**  trans-72.283.5164.658.40000109V22 S26V22-S24 PolarHBondContact O-N 3.4Å; S24-S26 VanDerWaalsContact C-N 3.26Å; S24-S26 PolarHBondContact O-N 3.21Å
25E50.3Low52.3Low152 Ų152139.5 Ų139.571%0.7177%0.766SS**  trans-73.390.7159.3-74.2-173172.300107.4S23 Y27S23-E25 VanDerWaalsContact C-N 3.26Å; S23-E25 PolarHBondContact O-N 3.04Å; E25-Y27 WeakPolarHBondContact O-CD1 3.4Å; E25-Y27 VanDerWaalsContact O-CE1 3.25Å; E25-Y27 WeakPolarHBondContact O-CE1 3.33Å; E25-Y27 PolarHBondContact O-N 3.5Å
26S51.3Low53.7Low98 Ų98136.4 Ų136.469%0.68577%0.767SS**  trans-70.386.916655.10000107.9S24 L28S24-S26 VanDerWaalsContact C-N 3.26Å; S24-S26 PolarHBondContact O-N 3.21Å; S26-L28 PolarHBondContact O-N 3.17Å
27Y52.9Low55.1Low179 Ų179140.5 Ų140.570%0.70277%0.771SS**  trans-60.498.7155.130.9-89.3000106.1E25 L29E25-Y27 WeakPolarHBondContact O-CD1 3.4Å; E25-Y27 VanDerWaalsContact O-CE1 3.25Å; E25-Y27 WeakPolarHBondContact O-CE1 3.33Å; E25-Y27 PolarHBondContact O-N 3.5Å; Y27-L29 HydrophobicContact CD2-CD2 4.24Å; Y27-L29 HydrophobicContact CD2-CG 4.01Å; Y27-L29 PolarHBondContact O-N 3.07Å
28L55.1Low56.2Low158 Ų158139.4 Ų139.483%0.82777%0.774SS**  trans-60.389.9157.1-66176.4000105.1S26 D30S26-L28 PolarHBondContact O-N 3.17Å; L28-D30 PolarHBondContact O-N 3.11Å
29L55.8Low57.6Low142 Ų142138.5 Ų138.574%0.74377%0.766SS**  trans-65.286.1163.1-64.9-171.8000105.1Y27 S31Y27-L29 HydrophobicContact CD2-CD2 4.24Å; Y27-L29 HydrophobicContact CD2-CG 4.01Å; Y27-L29 PolarHBondContact O-N 3.07Å; L29-S31 PolarHBondContact O-N 2.91Å
30D59.6Low59.1Low142 Ų142138.8 Ų138.876%0.75977%0.769SS**  trans-63.295.6172.2-155.513.4000105.4L28 V32L28-D30 PolarHBondContact O-N 3.11Å; D30-V32 PolarHBondContact O-N 2.77Å
31S64.1Low61.1Low95 Ų95134.8 Ų134.866%0.66477%0.766SS**  trans-73.183.3-177.771.30000107.3L29 R33L29-S31 PolarHBondContact O-N 2.91Å; S31-R33 VanDerWaalsContact C-N 3.34Å; S31-R33 PolarHBondContact O-N 2.95Å
32V66.7Low62.9Low94 Ų94132.8 Ų132.857%0.5777%0.765SS**  trans-68.297.9171.5-1790000107D30 F34D30-V32 PolarHBondContact O-N 2.77Å; V32-F34 HydrophobicContact CB-CE2 4.46Å; V32-F34 HydrophobicContact CG1-CD1 4.47Å; V32-F34 HydrophobicContact CG1-CD2 4.29Å; V32-F34 HydrophobicContact CG1-CE1 4.13Å; V32-F34 HydrophobicContact CG1-CE2 3.93Å; V32-F34 HydrophobicContact CG1-CZ 3.85Å; V32-F34 PolarHBondContact O-N 2.97Å
33R63.4Low64.4Low230 Ų230129.9 Ų129.987%0.86875%0.751SS**  trans-78.1101.6168.9-67.8-167.4-178.6-162.41.5108S31 A35S31-R33 VanDerWaalsContact C-N 3.34Å; S31-R33 PolarHBondContact O-N 2.95Å; R33-A35 PolarHBondContact O-N 2.97Å
34F70.1Confident66Low177 Ų177134.5 Ų134.578%0.77676%0.759SS**  trans-63.9131.7165.5-66.1-79.8000109.3V32 S36V32-F34 HydrophobicContact CB-CE2 4.46Å; V32-F34 HydrophobicContact CG1-CD1 4.47Å; V32-F34 HydrophobicContact CG1-CD2 4.29Å; V32-F34 HydrophobicContact CG1-CE1 4.13Å; V32-F34 HydrophobicContact CG1-CE2 3.93Å; V32-F34 HydrophobicContact CG1-CZ 3.85Å; V32-F34 PolarHBondContact O-N 2.97Å; F34-S36 PolarHBondContact O-N 3.27Å
35A70.9Confident67.4Low100 Ų100135.9 Ų135.983%0.82676%0.758SS**  trans-59113.6173.700000109.3R33 K37R33-A35 PolarHBondContact O-N 2.97Å; A35-K37 PolarHBondContact O-N 3.37Å
36S67.8Low68.9Low113 Ų113136.6 Ų136.679%0.7977%0.766SS**SBendtrans-80.4119.217564.80000108.9F34F34-S36 PolarHBondContact O-N 3.27Å
37K68.8Low70.7Confident187 Ų187134.7 Ų134.781%0.81376%0.761SS**  trans102.4110.8177.4-55-164-175.8-169.30115.4A35 A39A35-K37 PolarHBondContact O-N 3.37Å; K37-A39 VanDerWaalsContact C-N 3.25Å; K37-A39 PolarHBondContact O-N 3.21Å
38K68.3Low72.5Confident223 Ų223130.1 Ų130.197%0.9777%0.768SS**SBendtrans-74.9-8.2167-171.7171.4179.7178.50113.4
39A68.7Low74.2Confident84 Ų84134 Ų13469%0.69477%0.772SS**  trans-115.2101.8-17100000111.9K37K37-A39 VanDerWaalsContact C-N 3.25Å; K37-A39 PolarHBondContact O-N 3.21Å
40G75.1Confident75.9Confident75 Ų75132.2 Ų132.277%0.77377%0.772SS**PPolyproline II helixtrans-80.9141.6156.900000109.7
41G78.8Confident77.6Confident77 Ų77130.9 Ų130.979%0.79477%0.771SS**PPolyproline II helixtrans-61.1146.4-177.600000113.2
42S79.1Confident79.1Confident111 Ų111129.7 Ų129.778%0.77677%0.773SS**PPolyproline II helixtrans-62.6160.4171.5-1730000111.4K44S42-K44 PolarHBondContact O-N 3.07Å; S42-K44 VanDerWaalsContact O-N 3.12Å
43S78.8Confident80.4Confident82 Ų82132.5 Ų132.557%0.57377%0.774SS**PPolyproline II helixtrans-55.2119.9176.5179.50000110.5N45S43-N45 PolarHBondContact O-N 3.13Å; S43-N45 PolarHBondContact OG-N 3.44Å
44K86.1Confident81.9Confident190 Ų190132 Ų13283%0.82677%0.772SS**SBendtrans-77.5-10.3175.3-60.6-177.9-178.3179.50112.5S42 L46S42-K44 PolarHBondContact O-N 3.07Å; S42-K44 VanDerWaalsContact O-N 3.12Å; K44-L46 VanDerWaalsContact C-N 3.29Å; K44-L46 PolarHBondContact O-N 3.3Å
45N83.9Confident83.2Confident145 Ų145127.7 Ų127.778%0.77575%0.753SS**  trans-86.470.4-178.8-63-26.1000110S43 G47S43-N45 PolarHBondContact O-N 3.13Å; S43-N45 PolarHBondContact OG-N 3.44Å; N45-G47 PolarHBondContact O-N 3.39Å
46L81.2Confident84.4Confident167 Ų167124.4 Ų124.487%0.87473%0.729SS**  trans-81.886.1174.4-68.7125.1000109K44K44-L46 VanDerWaalsContact C-N 3.29Å; K44-L46 PolarHBondContact O-N 3.3Å
47G88.7Confident85.7Confident57 Ų57123.1 Ų123.159%0.58871%0.709SS**  trans-176.9-171-179.100000114.3N45 R49N45-G47 PolarHBondContact O-N 3.39Å; G47-R49 PolarHBondContact O-N 3.47Å
48G90.8Very high87.1Confident83 Ų83119.2 Ų119.286%0.85669%0.692SS**  trans81.24.7171.800000116.4S50G48-S50 VanDerWaalsContact C-N 3.32Å; G48-S50 PolarHBondContact O-N 2.77Å
49R91.2Very high88.4Confident241 Ų241111.9 Ų111.991%0.90966%0.66SS**  trans-92.823-179.5-54.2-171.8-166.9-160.73.8113.9G47G47-R49 PolarHBondContact O-N 3.47Å
50S92.7Very high89.8Confident104 Ų104112.8 Ų112.873%0.72766%0.657SS**PPolyproline II helixtrans-70.5129.2179.6580000110.6G48G48-S50 VanDerWaalsContact C-N 3.32Å; G48-S50 PolarHBondContact O-N 2.77Å
51P95.4Very high90.8Very high114 Ų114112.6 Ų112.674%0.7464%0.638SS**PPolyproline II helixtrans-67.9160177.728.8-35.2000112.1
52G94.4Very high91.7Very high70 Ų70110.4 Ų110.472%0.72262%0.615SS**PPolyproline II helixtrans-65.3135.7176.200000112.7R54G52-R54 VanDerWaalsContact C-N 3.35Å; G52-R54 PolarHBondContact O-N 2.95Å
53R94.4Very high92.5Very high153 Ų153107 Ų10758%0.57759%0.591SS**  trans-85.41.3-176.5-62.8177.568.6-176.53.1114.9F55R53-F55 HydrophobicContact CB-CD2 3.75Å; R53-F55 HydrophobicContact CB-CE2 3.61Å; R53-F55 HydrophobicContact CB-CG 4.38Å; R53-F55 HydrophobicContact CB-CZ 4.12Å; R53-F55 HydrophobicContact CG-CE2 4.24Å; R53-F55 VanDerWaalsContact CZ-CE2 3.48Å; R53-F55 PolarHBondContact O-N 3.09Å
54R95.8Very high93.4Very high219 Ų219107.2 Ų107.283%0.82658%0.583SS**  trans54.832.8177.6-54.5175-179.4178.3-1.8114.5G52 K58G52-R54 VanDerWaalsContact C-N 3.35Å; G52-R54 PolarHBondContact O-N 2.95Å; R54-K58 PolarHBondContact O-NZ 3.37Å
55F96.6Very high94Very high86 Ų8698.2 Ų98.238%0.37754%0.543SS..  trans-67.5151.3170.3-67.9-48.3000111.4R53 T73 R75R53-F55 HydrophobicContact CB-CD2 3.75Å; R53-F55 HydrophobicContact CB-CE2 3.61Å; R53-F55 HydrophobicContact CB-CG 4.38Å; R53-F55 HydrophobicContact CB-CZ 4.12Å; R53-F55 HydrophobicContact CG-CE2 4.24Å; R53-F55 VanDerWaalsContact CZ-CE2 3.48Å; R53-F55 PolarHBondContact O-N 3.09Å; F55-T73 WeakPolarHBondContact CB-O 3.36Å; F55-R75 HydrophobicContact CD2-CB 4.44Å; F55-R75 HydrophobicContact CE2-CB 4.06Å
56G96Very high94.6Very high31 Ų3196 Ų9632%0.3253%0.528SS..EExtended strand (participates in β ladder)trans143-170.417900000112.3A72 T73G56-A72 WeakPolarHBondContact O-CA 3.35Å; G56-T73 PolarHBondContact N-O 3.23Å; G56-T73 PolarHBondContact O-N 2.86Å
57F95.5Very high95.4Very high87 Ų8790.6 Ų90.638%0.38251%0.507SS..EExtended strand (participates in β ladder)trans-68.7144.7175.3-66.4-61.3000111.9A72 Y79 F103 I135F57-A72 HydrophobicContact CD1-CB 3.84Å; F57-A72 HydrophobicContact CE1-CB 4.24Å; F57-Y79 HydrophobicContact CD1-CE2 4.34Å; F57-Y79 HydrophobicContact CE1-CD1 4.32Å; F57-Y79 AromaticContact CE1-CD2 3.67Å; F57-Y79 HydrophobicContact CE1-CD2 3.67Å; F57-Y79 HydrophobicContact CE1-CE1 4.13Å; F57-Y79 AromaticContact CE1-CE2 3.39Å; F57-Y79 HydrophobicContact CE1-CE2 3.39Å; F57-Y79 HydrophobicContact CE1-CG 4.13Å; F57-Y79 AromaticContact CE1-CZ 3.67Å; F57-Y79 HydrophobicContact CE2-CE1 4.38Å; F57-Y79 AromaticContact CE2-CE2 3.88Å; F57-Y79 HydrophobicContact CE2-CE2 3.88Å; F57-Y79 AromaticContact CE2-CZ 3.59Å; F57-Y79 WeakPolarHBondContact CE2-OH 3.31Å; F57-Y79 HydrophobicContact CZ-CD1 4.09Å; F57-Y79 AromaticContact CZ-CD2 3.89Å; F57-Y79 HydrophobicContact CZ-CD2 3.89Å; F57-Y79 AromaticContact CZ-CE1 3.47Å; F57-Y79 HydrophobicContact CZ-CE1 3.47Å; F57-Y79 VanDerWaalsContact CZ-CE1 3.47Å; F57-Y79 AromaticContact CZ-CE2 3.19Å; F57-Y79 HydrophobicContact CZ-CE2 3.19Å; F57-Y79 HydrophobicContact CZ-CG 4.29Å; F57-Y79 AromaticContact CZ-CZ 2.96Å; F57-Y79 WeakPolarHBondContact CZ-OH 3.25Å; F57-F103 HydrophobicContact CD1-CE1 4.3Å; F57-F103 AromaticContact CD1-CZ 3.99Å; F57-F103 HydrophobicContact CD1-CZ 3.99Å; F57-F103 AromaticContact CE1-CE1 3.38Å; F57-F103 HydrophobicContact CE1-CE1 3.38Å; F57-F103 AromaticContact CE1-CZ 3.5Å; F57-F103 HydrophobicContact CE1-CZ 3.5Å; F57-F103 VanDerWaalsContact CE1-CZ 3.5Å; F57-F103 AromaticContact CZ-CE1 3.65Å; F57-F103 HydrophobicContact CZ-CE1 3.65Å; F57-F103 AromaticContact CZ-CZ 3.93Å; F57-F103 HydrophobicContact CZ-CZ 3.93Å; F57-I135 HydrophobicContact CE1-CD1 4.09Å
58K96.7Very high95.8Very high105 Ų10590.3 Ų90.346%0.45751%0.505SS..SBendtrans-113.7-26.4170.8-54.5-57.2170.4-167.30111.1R54 I70 L71R54-K58 PolarHBondContact O-NZ 3.37Å; K58-I70 WeakPolarHBondContact CB-O 3.46Å; K58-I70 HydrophobicContact CG-CG2 3.98Å; K58-L71 PolarHBondContact N-O 3.11Å
59K97.4Very high96.1Very high69 Ų6988.9 Ų88.930%0.348%0.477SS..SBendtrans-128.6137.6174.9-60.3-68.5-179.1175.60109.4V65 L71 V101K59-V65 HydrophobicContact CB-CG1 4Å; K59-V65 HydrophobicContact CD-CG1 3.82Å; K59-V65 HydrophobicContact CG-CG1 3.58Å; K59-L71 HydrophobicContact CB-CD2 4.14Å; K59-L71 HydrophobicContact CG-CD2 4.22Å; K59-L71 PolarHBondContact N-O 2.89Å; K59-V101 HydrophobicContact CB-CG2 4.19Å
60V96.8Very high96.5Very high102 Ų10281.4 Ų81.462%0.61846%0.455SS*.  trans-99.3164.3-176.4-165.90000108.9G62 S63V60-G62 PolarHBondContact O-N 2.92Å; V60-S63 PolarHBondContact N-OG 2.79Å; V60-S63 WeakPolarHBondContact O-CB 3.46Å; V60-S63 PolarHBondContact O-N 2.82Å; V60-S63 PolarHBondContact O-OG 2.78Å
61D97Very high96.7Very high71 Ų7176.5 Ų76.538%0.3842%0.42SS..THydrogen-bonded Turntrans-51.4136.7175.1-163.168.9000111.4S63 R102 F103D61-S63 PolarHBondContact O-N 3Å; D61-R102 VanDerWaalsContact OD1-CA 3.23Å; D61-R102 WeakPolarHBondContact OD1-CA 3.16Å; D61-R102 IonicContact OD2-CZ 3.97Å; D61-R102 IonicContact OD2-NH1 2.85Å; D61-R102 PolarHBondContact OD2-NH1 3.09Å; D61-F103 HydrophobicContact CB-CD2 3.75Å; D61-F103 HydrophobicContact CB-CE2 4.15Å; D61-F103 WeakPolarHBondContact OD1-CD2 3.24Å; D61-F103 PolarHBondContact OD1-N 2.75Å
62G96.5Very high96.8Very high31 Ų3171.1 Ų71.132%0.3239%0.386SS..THydrogen-bonded Turntrans78.9-9.2-177.600000115.4V60 F64 H100 V101V60-G62 PolarHBondContact O-N 2.92Å; G62-F64 PolarHBondContact O-N 3.48Å; G62-H100 PolarHBondContact O-ND1 3.03Å; G62-V101 PolarHBondContact N-O 3.42Å
63S97.5Very high97Very high39 Ų3968.9 Ų68.927%0.27336%0.358SS..  trans-64.6134.3177.8-60.70000111.1V60 D61 H100 V101V60-S63 PolarHBondContact N-OG 2.79Å; V60-S63 WeakPolarHBondContact O-CB 3.46Å; V60-S63 PolarHBondContact O-N 2.82Å; V60-S63 PolarHBondContact O-OG 2.78Å; D61-S63 PolarHBondContact O-N 3Å; S63-H100 WeakPolarHBondContact O-CA 3.07Å; S63-V101 PolarHBondContact O-N 2.8Å
64F97.6Very high97.1Very high88 Ų8862.3 Ų62.339%0.38633%0.334SS..EExtended strand (participates in β ladder)trans-73135.3168.5-174.1-101.6000110.2G62 H66 D98 G99 H100 V140G62-F64 PolarHBondContact O-N 3.48Å; F64-H66 AromaticContact CE1-CE1 3.54Å; F64-H66 AromaticContact CE1-ND1 3.89Å; F64-H66 AromaticContact CE1-NE2 3.96Å; F64-D98 HydrophobicContact CZ-CB 4.35Å; F64-G99 CarbonylContact C-O 3.58Å; F64-G99 WeakPolarHBondContact CA-O 3.23Å; F64-G99 WeakPolarHBondContact CD2-O 3.31Å; F64-H100 AromaticContact CD2-NE2 3.94Å; F64-V140 HydrophobicContact CD2-CG2 4.38Å; F64-V140 HydrophobicContact CE2-CB 4.41Å; F64-V140 HydrophobicContact CE2-CG2 4.05Å
65V97.9Very high97.1Very high0 Ų060.6 Ų60.60%033%0.327CS..EExtended strand (participates in β ladder)trans-133.7147-179.3-64.90000110K59 N69 L71 A95 D98 G99 V101 V137K59-V65 HydrophobicContact CB-CG1 4Å; K59-V65 HydrophobicContact CD-CG1 3.82Å; K59-V65 HydrophobicContact CG-CG1 3.58Å; V65-N69 HydrophobicContact CB-CB 4.33Å; V65-L71 HydrophobicContact CB-CD2 4.42Å; V65-L71 HydrophobicContact CG1-CD2 3.91Å; V65-L71 HydrophobicContact CG2-CD2 4.29Å; V65-A95 HydrophobicContact CB-CB 4.47Å; V65-A95 HydrophobicContact CG2-CB 3.91Å; V65-D98 CarbonylContact O-C 3.54Å; V65-D98 VanDerWaalsContact O-CA 3.31Å; V65-D98 WeakPolarHBondContact O-CA 3.46Å; V65-G99 WeakPolarHBondContact CG2-O 3.39Å; V65-G99 PolarHBondContact N-O 2.9Å; V65-G99 PolarHBondContact O-N 3.5Å; V65-V101 HydrophobicContact CB-CG2 4.43Å; V65-V101 HydrophobicContact CG1-CG2 3.61Å; V65-V101 HydrophobicContact CG2-CG2 3.89Å; V65-V137 HydrophobicContact CG2-CG1 3.96Å; V65-V137 HydrophobicContact CG2-CG2 4.1Å
66H97.4Very high97Very high99 Ų9964.6 Ų64.646%0.45834%0.344SS..  trans-91.1158.3168-63-70.6000110.7F64 G68 N69 D98F64-H66 AromaticContact CE1-CE1 3.54Å; F64-H66 AromaticContact CE1-ND1 3.89Å; F64-H66 AromaticContact CE1-NE2 3.96Å; H66-G68 PolarHBondContact O-N 3.4Å; H66-N69 PolarHBondContact N-ND2 2.78Å; H66-N69 VanDerWaalsContact N-ND2 3.17Å; H66-N69 VanDerWaalsContact O-CB 3.29Å; H66-N69 WeakPolarHBondContact O-CB 3.48Å; H66-N69 PolarHBondContact O-N 3.2Å; H66-N69 VanDerWaalsContact O-N 3.13Å; H66-D98 WeakPolarHBondContact CA-OD1 3.39Å; H66-D98 IonicContact CG-OD1 3.99Å; H66-D98 IonicContact ND1-OD1 3.62Å; H66-D98 IonicContact ND1-OD2 3.87Å
67A97.1Very high96.9Very high53 Ų5366.6 Ų66.644%0.43835%0.347SS..THydrogen-bonded Turntrans-51.3135.5167.800000110.9N69 L96 D98A67-N69 VanDerWaalsContact C-N 3.33Å; A67-N69 PolarHBondContact O-N 3.12Å; A67-L96 VanDerWaalsContact CB-O 3.26Å; A67-L96 WeakPolarHBondContact CB-O 3.37Å; A67-D98 PolarHBondContact N-OD1 2.88Å
68G97.1Very high96.9Very high52 Ų5271.1 Ų71.154%0.53636%0.362SS..THydrogen-bonded Turntrans86.1-12.2-177.100000115.4H66 I70 A95H66-G68 PolarHBondContact O-N 3.4Å; G68-I70 PolarHBondContact O-N 3.2Å; G68-A95 WeakPolarHBondContact CA-O 3.2Å; G68-A95 PolarHBondContact N-O 2.85Å
69N98.1Very high96.9Very high52 Ų5267.3 Ų67.328%0.27835%0.345SS..  trans-65.7138178.5-80.5-10.9000111.9V65 H66 A67 L71 F94 A95V65-N69 HydrophobicContact CB-CB 4.33Å; H66-N69 PolarHBondContact N-ND2 2.78Å; H66-N69 VanDerWaalsContact N-ND2 3.17Å; H66-N69 VanDerWaalsContact O-CB 3.29Å; H66-N69 WeakPolarHBondContact O-CB 3.48Å; H66-N69 PolarHBondContact O-N 3.2Å; H66-N69 VanDerWaalsContact O-N 3.13Å; A67-N69 VanDerWaalsContact C-N 3.33Å; A67-N69 PolarHBondContact O-N 3.12Å; N69-L71 PolarHBondContact O-N 2.6Å; N69-F94 CarbonylContact O-C 3.55Å; N69-F94 VanDerWaalsContact O-CA 3.25Å; N69-F94 WeakPolarHBondContact O-CA 3.18Å; N69-A95 PolarHBondContact O-N 2.9Å
70I98Very high96.9Very high84 Ų8464.9 Ų64.943%0.43133%0.334SS..EExtended strand (participates in β ladder)trans-72.8128.1174.1-60.5174.1000109.6K58 G68 T73 T92K58-I70 WeakPolarHBondContact CB-O 3.46Å; K58-I70 HydrophobicContact CG-CG2 3.98Å; G68-I70 PolarHBondContact O-N 3.2Å; I70-T73 HydrophobicContact CG2-CG2 3.81Å; I70-T92 HydrophobicContact CG1-CG2 4.43Å; I70-T92 HydrophobicContact CG2-CG2 3.69Å
71L97.7Very high96.9Very high2 Ų262 Ų621%0.0132%0.318CS..EExtended strand (participates in β ladder)trans-93.7-48.6178.8-58.2-178.6000111.5K58 K59 V65 N69 V85 L93 A95 V101 I135 V137K58-L71 PolarHBondContact N-O 3.11Å; K59-L71 HydrophobicContact CB-CD2 4.14Å; K59-L71 HydrophobicContact CG-CD2 4.22Å; K59-L71 PolarHBondContact N-O 2.89Å; V65-L71 HydrophobicContact CB-CD2 4.42Å; V65-L71 HydrophobicContact CG1-CD2 3.91Å; V65-L71 HydrophobicContact CG2-CD2 4.29Å; N69-L71 PolarHBondContact O-N 2.6Å; L71-V85 HydrophobicContact CD1-CB 4.46Å; L71-V85 HydrophobicContact CD1-CG1 3.99Å; L71-V85 HydrophobicContact CD1-CG2 3.6Å; L71-L93 HydrophobicContact CB-CB 4.3Å; L71-L93 PolarHBondContact N-O 2.94Å; L71-A95 HydrophobicContact CD1-CB 4.47Å; L71-A95 HydrophobicContact CD2-CB 4.27Å; L71-A95 HydrophobicContact CG-CB 4.48Å; L71-V101 HydrophobicContact CD2-CG2 3.69Å; L71-I135 HydrophobicContact CD1-CG2 3.89Å; L71-V137 HydrophobicContact CD1-CG2 3.9Å
72A97.8Very high96.9Very high1 Ų159.7 Ų59.71%0.00831%0.311CS..EExtended strand (participates in β ladder)trans-152.4140.2-179.500000111.5G56 F57 L93 I135G56-A72 WeakPolarHBondContact O-CA 3.35Å; F57-A72 HydrophobicContact CD1-CB 3.84Å; F57-A72 HydrophobicContact CE1-CB 4.24Å; A72-L93 PolarHBondContact N-O 3.08Å; A72-L93 PolarHBondContact O-N 2.91Å; A72-I135 HydrophobicContact CB-CD1 4.24Å
73T97.8Very high97Very high23 Ų2360.6 Ų60.614%0.14132%0.315CS..EExtended strand (participates in β ladder)trans-111.4131.1171.457.40000109.8F55 G56 I70 T92F55-T73 WeakPolarHBondContact CB-O 3.36Å; G56-T73 PolarHBondContact N-O 3.23Å; G56-T73 PolarHBondContact O-N 2.86Å; I70-T73 HydrophobicContact CG2-CG2 3.81Å; T73-T92 HydrophobicContact CG2-CG2 3.83Å
74Q97Very high97Very high14 Ų1462.1 Ų62.17%0.06532%0.318CS..  trans-147.2154.6-172.457.9-174.3-100111.1K76 Y79 N91Q74-K76 WeakPolarHBondContact CB-O 3.45Å; Q74-K76 VanDerWaalsContact CD-O 3.28Å; Q74-K76 VanDerWaalsContact CG-O 3.31Å; Q74-K76 WeakPolarHBondContact CG-O 3.38Å; Q74-K76 PolarHBondContact OE1-O 3.45Å; Q74-Y79 PolarHBondContact NE2-O 3.44Å; Q74-N91 HydrophobicContact CG-CB 4.17Å; Q74-N91 WeakPolarHBondContact CG-O 3.31Å; Q74-N91 PolarHBondContact NE2-O 3.43Å; Q74-N91 VanDerWaalsContact NE2-O 3.09Å
75R95.8Very high97Very high183 Ų18358.4 Ų58.469%0.69130%0.303SS*.SBendtrans-83.7-43.1176.3-174.9172.4-178.6146.13112.2F55 N91F55-R75 HydrophobicContact CD2-CB 4.44Å; F55-R75 HydrophobicContact CE2-CB 4.06Å; R75-N91 PolarHBondContact O-ND2 3.32Å
76K95.2Very high97Very high171 Ų17158.9 Ų58.974%0.74331%0.307SS*.SBendtrans-118.4158173.2-63.7-174.3177.1-173.30107.8Q74 R78Q74-K76 WeakPolarHBondContact CB-O 3.45Å; Q74-K76 VanDerWaalsContact CD-O 3.28Å; Q74-K76 VanDerWaalsContact CG-O 3.31Å; Q74-K76 WeakPolarHBondContact CG-O 3.38Å; Q74-K76 PolarHBondContact OE1-O 3.45Å; K76-R78 PolarHBondContact O-N 2.98Å
77L94Very high97Very high72 Ų7257.7 Ų57.738%0.37730%0.304SS..  trans-64.692.1174.8-81.4155.3000110.4Y79 L87 N91L77-Y79 WeakPolarHBondContact CD2-O 3.15Å; L77-L87 HydrophobicContact CD2-CD1 3.81Å; L77-L87 HydrophobicContact CD2-CD2 4.2Å; L77-N91 HydrophobicContact CG-CB 4.37Å
78R95.1Very high97Very high182 Ų18256.2 Ų56.269%0.68729%0.294SS*.SBendtrans-87.3-39.3168.8179.9176.7176.1175.9-1.4110.1K76K76-R78 PolarHBondContact O-N 2.98Å
79Y96.4Very high97Very high26 Ų2661.2 Ų61.210%0.10231%0.314CS..SBendtrans-114.6137.3173.8-50.7-71.9000109.2F57 Q74 L77 T133 I135F57-Y79 HydrophobicContact CD1-CE2 4.34Å; F57-Y79 HydrophobicContact CE1-CD1 4.32Å; F57-Y79 AromaticContact CE1-CD2 3.67Å; F57-Y79 HydrophobicContact CE1-CD2 3.67Å; F57-Y79 HydrophobicContact CE1-CE1 4.13Å; F57-Y79 AromaticContact CE1-CE2 3.39Å; F57-Y79 HydrophobicContact CE1-CE2 3.39Å; F57-Y79 HydrophobicContact CE1-CG 4.13Å; F57-Y79 AromaticContact CE1-CZ 3.67Å; F57-Y79 HydrophobicContact CE2-CE1 4.38Å; F57-Y79 AromaticContact CE2-CE2 3.88Å; F57-Y79 HydrophobicContact CE2-CE2 3.88Å; F57-Y79 AromaticContact CE2-CZ 3.59Å; F57-Y79 WeakPolarHBondContact CE2-OH 3.31Å; F57-Y79 HydrophobicContact CZ-CD1 4.09Å; F57-Y79 AromaticContact CZ-CD2 3.89Å; F57-Y79 HydrophobicContact CZ-CD2 3.89Å; F57-Y79 AromaticContact CZ-CE1 3.47Å; F57-Y79 HydrophobicContact CZ-CE1 3.47Å; F57-Y79 VanDerWaalsContact CZ-CE1 3.47Å; F57-Y79 AromaticContact CZ-CE2 3.19Å; F57-Y79 HydrophobicContact CZ-CE2 3.19Å; F57-Y79 HydrophobicContact CZ-CG 4.29Å; F57-Y79 AromaticContact CZ-CZ 2.96Å; F57-Y79 WeakPolarHBondContact CZ-OH 3.25Å; Q74-Y79 PolarHBondContact NE2-O 3.44Å; L77-Y79 WeakPolarHBondContact CD2-O 3.15Å; Y79-T133 HydrophobicContact CD1-CG2 3.86Å; Y79-T133 HydrophobicContact CE1-CG2 4.2Å; Y79-I135 HydrophobicContact CG-CD1 4.15Å; Y79-I135 HydrophobicContact CG-CG1 4.46Å
80H96.8Very high96.8Very high17 Ų1763.7 Ų63.78%0.07933%0.327CS..EExtended strand (participates in β ladder)trans-96.4146.6179.7-70.7-100.3000110.2G82 Y108 T133 F134 I135H80-G82 PolarHBondContact O-N 2.82Å; H80-Y108 AromaticContact CE1-CD2 3.97Å; H80-Y108 AromaticContact CE1-CE2 3.5Å; H80-Y108 VanDerWaalsContact CE1-CE2 3.5Å; H80-Y108 WeakPolarHBondContact CE1-CE2 3.46Å; H80-Y108 AromaticContact ND1-CE2 3.64Å; H80-T133 PolarHBondContact N-O 3.28Å; H80-F134 HydrophobicContact CB-CD1 3.6Å; H80-F134 HydrophobicContact CB-CD2 4.47Å; H80-F134 HydrophobicContact CB-CE1 3.53Å; H80-F134 HydrophobicContact CB-CE2 4.43Å; H80-F134 HydrophobicContact CB-CG 4.1Å; H80-F134 HydrophobicContact CB-CZ 3.98Å; H80-F134 WeakPolarHBondContact O-CA 3.47Å; H80-I135 PolarHBondContact O-N 3.17Å
81P97.8Very high96.8Very high42 Ų4261.8 Ų61.827%0.27332%0.318SS..EExtended strand (participates in β ladder)trans-67.3127.6171.730-33.7000108.8V85 L87 L93 F134P81-V85 HydrophobicContact CB-CB 4.43Å; P81-V85 HydrophobicContact CB-CG1 4.11Å; P81-L87 HydrophobicContact CG-CB 4.21Å; P81-L93 HydrophobicContact CB-CD2 3.87Å; P81-L93 HydrophobicContact CG-CD2 4.42Å; P81-F134 VanDerWaalsContact O-CD1 3.31Å; P81-F134 WeakPolarHBondContact O-CD1 3.49Å
82G97.3Very high96.8Very high22 Ų2262.4 Ų62.423%0.22732%0.322CS..  trans-109.9-141.3169.600000111H80 H84 I135 N136H80-G82 PolarHBondContact O-N 2.82Å; G82-H84 PolarHBondContact O-N 2.81Å; G82-I135 WeakPolarHBondContact CA-O 3.41Å; G82-I135 PolarHBondContact N-O 2.92Å; G82-N136 WeakPolarHBondContact CA-OD1 3.5Å
83A97.4Very high96.8Very high50 Ų5062.4 Ų62.441%0.41332%0.322SS..THydrogen-bonded Turntrans-65132.6-176.500000112.1V85 N136 V137A83-V85 PolarHBondContact O-N 2.88Å; A83-N136 HydrophobicContact CB-CB 4.47Å; A83-N136 PolarHBondContact N-OD1 3.43Å; A83-N136 WeakPolarHBondContact O-CA 3.48Å; A83-V137 PolarHBondContact O-N 2.8Å
84H97.6Very high96.8Very high71 Ų7164.6 Ų64.633%0.32933%0.33SS..THydrogen-bonded Turntrans55.829.9178.4-46.5-81.2000114.4G82 L96 E97 V137G82-H84 PolarHBondContact O-N 2.81Å; H84-L96 WeakPolarHBondContact O-CB 3.47Å; H84-L96 PolarHBondContact O-N 3.02Å; H84-E97 HydrophobicContact CB-CB 4.36Å; H84-E97 IonicContact CE1-OE1 3.32Å; H84-E97 PolarHBondContact CE1-OE1 2.98Å; H84-E97 VanDerWaalsContact CE1-OE1 3.32Å; H84-E97 IonicContact CE1-OE2 3.43Å; H84-E97 PolarHBondContact CE1-OE2 3.31Å; H84-E97 IonicContact CG-OE1 3.78Å; H84-E97 IonicContact CG-OE2 3.68Å; H84-E97 IonicContact ND1-OE1 2.71Å; H84-E97 PolarHBondContact ND1-OE1 2.85Å; H84-E97 IonicContact ND1-OE2 3.13Å; H84-E97 PolarHBondContact ND1-OE2 2.8Å; H84-E97 VanDerWaalsContact ND1-OE2 3.13Å; H84-V137 HydrophobicContact CB-CB 4.2Å; H84-V137 PolarHBondContact CD2-O 3.02Å; H84-V137 VanDerWaalsContact CD2-O 3.26Å
85V98.3Very high96.9Very high11 Ų1164 Ų647%0.06733%0.327CS..EExtended strand (participates in β ladder)trans-124126.7176.8176.10000110.8L71 P81 A83 L93 F94 I135 V137L71-V85 HydrophobicContact CD1-CB 4.46Å; L71-V85 HydrophobicContact CD1-CG1 3.99Å; L71-V85 HydrophobicContact CD1-CG2 3.6Å; P81-V85 HydrophobicContact CB-CB 4.43Å; P81-V85 HydrophobicContact CB-CG1 4.11Å; A83-V85 PolarHBondContact O-N 2.88Å; V85-L93 HydrophobicContact CG1-CB 4.03Å; V85-L93 HydrophobicContact CG1-CD2 3.99Å; V85-L93 HydrophobicContact CG1-CG 4.48Å; V85-F94 CarbonylContact C-O 3.54Å; V85-F94 WeakPolarHBondContact CA-O 3.4Å; V85-I135 WeakPolarHBondContact CG2-O 3.25Å; V85-V137 HydrophobicContact CG2-CB 4.46Å; V85-V137 HydrophobicContact CG2-CG2 3.76Å
86G98Very high97Very high10 Ų1059.6 Ų59.610%0.10332%0.317CS..EExtended strand (participates in β ladder)trans-90.5155.4174.300000112.7L93 F94G86-L93 WeakPolarHBondContact O-CA 3.34Å; G86-F94 VanDerWaalsContact C-CE1 3.48Å; G86-F94 PolarHBondContact N-O 3.44Å; G86-F94 WeakPolarHBondContact O-CD1 3.43Å; G86-F94 PolarHBondContact O-N 3.22Å; G86-F94 VanDerWaalsContact O-N 3.13Å
87L97.8Very high97Very high74 Ų7454 Ų5439%0.38729%0.293SS..EExtended strand (participates in β ladder)trans-116.2121174-175.670.5000110L77 P81 N91 L93L77-L87 HydrophobicContact CD2-CD1 3.81Å; L77-L87 HydrophobicContact CD2-CD2 4.2Å; P81-L87 HydrophobicContact CG-CB 4.21Å; L87-N91 HydrophobicContact CD1-CB 4.34Å; L87-L93 HydrophobicContact CB-CD2 4.49Å; L87-L93 HydrophobicContact CD1-CD2 3.59Å; L87-L93 HydrophobicContact CD1-CG 4.5Å
88G96.8Very high97.2Very high22 Ų2252.1 Ų52.123%0.22728%0.284CS..  trans-82.8167.1174.600000113.3N90 N91 T92G88-N90 PolarHBondContact O-N 3.28Å; G88-N90 VanDerWaalsContact O-N 3.13Å; G88-N91 WeakPolarHBondContact O-CA 3.24Å; G88-N91 PolarHBondContact O-N 3.06Å; G88-T92 PolarHBondContact N-O 3.26Å
89T96.3Very high97.3Very high156 Ų15643.5 Ų43.596%0.95725%0.251SS*.THydrogen-bonded Turntrans-56-32.3-179-44.40000113.9N91T89-N91 VanDerWaalsContact C-N 3.29Å; T89-N91 PolarHBondContact O-N 3.43Å
90N95.1Very high97.4Very high104 Ų10445.5 Ų45.556%0.55626%0.261SS*.THydrogen-bonded Turntrans-9220.5177.665.9-5.5000113.1G88 T92G88-N90 PolarHBondContact O-N 3.28Å; G88-N90 VanDerWaalsContact O-N 3.13Å; N90-T92 PolarHBondContact ND2-OG1 3.21Å; N90-T92 PolarHBondContact O-N 3.13Å; N90-T92 WeakPolarHBondContact OD1-CB 3.4Å; N90-T92 PolarHBondContact OD1-N 2.71Å; N90-T92 PolarHBondContact OD1-OG1 3.48Å
91N96.4Very high97.4Very high45 Ų4544.8 Ų44.824%0.24126%0.258CS..SBendtrans62.219.8-175.9-56.4-43.3000115.2Q74 R75 L77 L87 G88 T89Q74-N91 HydrophobicContact CG-CB 4.17Å; Q74-N91 WeakPolarHBondContact CG-O 3.31Å; Q74-N91 PolarHBondContact NE2-O 3.43Å; Q74-N91 VanDerWaalsContact NE2-O 3.09Å; R75-N91 PolarHBondContact O-ND2 3.32Å; L77-N91 HydrophobicContact CG-CB 4.37Å; L87-N91 HydrophobicContact CD1-CB 4.34Å; G88-N91 WeakPolarHBondContact O-CA 3.24Å; G88-N91 PolarHBondContact O-N 3.06Å; T89-N91 VanDerWaalsContact C-N 3.29Å; T89-N91 PolarHBondContact O-N 3.43Å
92T97.9Very high97.4Very high15 Ų1548.4 Ų48.49%0.09227%0.266CS..  trans-72.7135.9172.9-60.50000110.1I70 T73 G88 N90I70-T92 HydrophobicContact CG1-CG2 4.43Å; I70-T92 HydrophobicContact CG2-CG2 3.69Å; T73-T92 HydrophobicContact CG2-CG2 3.83Å; G88-T92 PolarHBondContact N-O 3.26Å; N90-T92 PolarHBondContact ND2-OG1 3.21Å; N90-T92 PolarHBondContact O-N 3.13Å; N90-T92 WeakPolarHBondContact OD1-CB 3.4Å; N90-T92 PolarHBondContact OD1-N 2.71Å; N90-T92 PolarHBondContact OD1-OG1 3.48Å
93L98.1Very high97.4Very high0 Ų050.1 Ų50.10%027%0.267CS..EExtended strand (participates in β ladder)trans-97.2134.3175.3-63175.8000110.1L71 A72 P81 V85 G86 L87 I135L71-L93 HydrophobicContact CB-CB 4.3Å; L71-L93 PolarHBondContact N-O 2.94Å; A72-L93 PolarHBondContact N-O 3.08Å; A72-L93 PolarHBondContact O-N 2.91Å; P81-L93 HydrophobicContact CB-CD2 3.87Å; P81-L93 HydrophobicContact CG-CD2 4.42Å; V85-L93 HydrophobicContact CG1-CB 4.03Å; V85-L93 HydrophobicContact CG1-CD2 3.99Å; V85-L93 HydrophobicContact CG1-CG 4.48Å; G86-L93 WeakPolarHBondContact O-CA 3.34Å; L87-L93 HydrophobicContact CB-CD2 4.49Å; L87-L93 HydrophobicContact CD1-CD2 3.59Å; L87-L93 HydrophobicContact CD1-CG 4.5Å; L93-I135 HydrophobicContact CD1-CB 4.48Å; L93-I135 HydrophobicContact CD1-CD1 3.55Å; L93-I135 HydrophobicContact CD1-CG1 3.99Å
94F98.1Very high97.5Very high70 Ų7049.9 Ų49.931%0.30726%0.261SS..EExtended strand (participates in β ladder)trans-136.9150.9178.661.9-86.8000111.3N69 V85 G86 L96N69-F94 CarbonylContact O-C 3.55Å; N69-F94 VanDerWaalsContact O-CA 3.25Å; N69-F94 WeakPolarHBondContact O-CA 3.18Å; V85-F94 CarbonylContact C-O 3.54Å; V85-F94 WeakPolarHBondContact CA-O 3.4Å; G86-F94 VanDerWaalsContact C-CE1 3.48Å; G86-F94 PolarHBondContact N-O 3.44Å; G86-F94 WeakPolarHBondContact O-CD1 3.43Å; G86-F94 PolarHBondContact O-N 3.22Å; G86-F94 VanDerWaalsContact O-N 3.13Å; F94-L96 HydrophobicContact CD2-CD2 4.16Å; F94-L96 HydrophobicContact CE2-CD2 3.52Å; F94-L96 HydrophobicContact CZ-CD2 4.33Å
95A98.3Very high97.5Very high1 Ų153.4 Ų53.41%0.00828%0.275CS..EExtended strand (participates in β ladder)trans-74.9137.4178.200000110.6V65 G68 N69 L71 V137V65-A95 HydrophobicContact CB-CB 4.47Å; V65-A95 HydrophobicContact CG2-CB 3.91Å; G68-A95 WeakPolarHBondContact CA-O 3.2Å; G68-A95 PolarHBondContact N-O 2.85Å; N69-A95 PolarHBondContact O-N 2.9Å; L71-A95 HydrophobicContact CD1-CB 4.47Å; L71-A95 HydrophobicContact CD2-CB 4.27Å; L71-A95 HydrophobicContact CG-CB 4.48Å; A95-V137 HydrophobicContact CB-CG2 4.02Å
96L97.5Very high97.4Very high91 Ų9156.4 Ų56.448%0.47629%0.289SS..SBendtrans-90.5-27.8172.4-63.1174.5000111.9A67 H84 F94A67-L96 VanDerWaalsContact CB-O 3.26Å; A67-L96 WeakPolarHBondContact CB-O 3.37Å; H84-L96 WeakPolarHBondContact O-CB 3.47Å; H84-L96 PolarHBondContact O-N 3.02Å; F94-L96 HydrophobicContact CD2-CD2 4.16Å; F94-L96 HydrophobicContact CE2-CD2 3.52Å; F94-L96 HydrophobicContact CZ-CD2 4.33Å
97E96.9Very high97.3Very high52 Ų5259.1 Ų59.124%0.24330%0.303CS..SBendtrans-130.1164.3-176.3-74.4171.9-146.300112.1H84 P139H84-E97 HydrophobicContact CB-CB 4.36Å; H84-E97 IonicContact CE1-OE1 3.32Å; H84-E97 PolarHBondContact CE1-OE1 2.98Å; H84-E97 VanDerWaalsContact CE1-OE1 3.32Å; H84-E97 IonicContact CE1-OE2 3.43Å; H84-E97 PolarHBondContact CE1-OE2 3.31Å; H84-E97 IonicContact CG-OE1 3.78Å; H84-E97 IonicContact CG-OE2 3.68Å; H84-E97 IonicContact ND1-OE1 2.71Å; H84-E97 PolarHBondContact ND1-OE1 2.85Å; H84-E97 IonicContact ND1-OE2 3.13Å; H84-E97 PolarHBondContact ND1-OE2 2.8Å; H84-E97 VanDerWaalsContact ND1-OE2 3.13Å; E97-P139 WeakPolarHBondContact OE2-CB 3.26Å
98D96.9Very high97.2Very high34 Ų3458.1 Ų58.118%0.18229%0.294CS..SBendtrans-77.5119.9173.8-71.6-5.8000110.4F64 V65 H66 A67 P139 V140 K141F64-D98 HydrophobicContact CZ-CB 4.35Å; V65-D98 CarbonylContact O-C 3.54Å; V65-D98 VanDerWaalsContact O-CA 3.31Å; V65-D98 WeakPolarHBondContact O-CA 3.46Å; H66-D98 WeakPolarHBondContact CA-OD1 3.39Å; H66-D98 IonicContact CG-OD1 3.99Å; H66-D98 IonicContact ND1-OD1 3.62Å; H66-D98 IonicContact ND1-OD2 3.87Å; A67-D98 PolarHBondContact N-OD1 2.88Å; D98-P139 WeakPolarHBondContact O-CA 3.46Å; D98-V140 PolarHBondContact O-N 2.81Å; D98-K141 IonicContact OD2-NZ 2.76Å; D98-K141 PolarHBondContact OD2-NZ 3.44Å
99G97.5Very high97Very high0 Ų064 Ų640%032%0.319CS..EExtended strand (participates in β ladder)trans-175.1-171.2-173.800000116.1F64 V65 M138F64-G99 CarbonylContact C-O 3.58Å; F64-G99 WeakPolarHBondContact CA-O 3.23Å; F64-G99 WeakPolarHBondContact CD2-O 3.31Å; V65-G99 WeakPolarHBondContact CG2-O 3.39Å; V65-G99 PolarHBondContact N-O 2.9Å; V65-G99 PolarHBondContact O-N 3.5Å; G99-M138 CarbonylContact C-O 3.57Å; G99-M138 WeakPolarHBondContact CA-O 3.18Å
100H98Very high96.7Very high69 Ų6958 Ų5832%0.31928%0.283SS..EExtended strand (participates in β ladder)trans-99.7133.9173-71.3-83.3000111.4G62 S63 F64 V137 M138G62-H100 PolarHBondContact O-ND1 3.03Å; S63-H100 WeakPolarHBondContact O-CA 3.07Å; F64-H100 AromaticContact CD2-NE2 3.94Å; H100-V137 WeakPolarHBondContact O-CA 3.43Å; H100-M138 PolarHBondContact N-O 2.76Å; H100-M138 PolarHBondContact O-N 3.24Å
101V98.3Very high96.4Very high1 Ų156.2 Ų56.21%0.00628%0.283CS..EExtended strand (participates in β ladder)trans-72.5133177.7-178.80000110.5K59 G62 S63 V65 L71 F103 I135 N136K59-V101 HydrophobicContact CB-CG2 4.19Å; G62-V101 PolarHBondContact N-O 3.42Å; S63-V101 PolarHBondContact O-N 2.8Å; V65-V101 HydrophobicContact CB-CG2 4.43Å; V65-V101 HydrophobicContact CG1-CG2 3.61Å; V65-V101 HydrophobicContact CG2-CG2 3.89Å; L71-V101 HydrophobicContact CD2-CG2 3.69Å; V101-F103 HydrophobicContact CG1-CD2 4.36Å; V101-F103 HydrophobicContact CG1-CE2 3.77Å; V101-F103 HydrophobicContact CG1-CZ 4.27Å; V101-I135 HydrophobicContact CG1-CG2 3.69Å; V101-N136 CarbonylContact C-O 3.6Å; V101-N136 WeakPolarHBondContact CA-O 3.4Å
102R97.9Very high96Very high118 Ų11859.9 Ų59.945%0.44531%0.309SS..EExtended strand (participates in β ladder)trans-131.1136.7174.1-68.7-61.4-176.2-175.82.5112.5D61 N136D61-R102 VanDerWaalsContact OD1-CA 3.23Å; D61-R102 WeakPolarHBondContact OD1-CA 3.16Å; D61-R102 IonicContact OD2-CZ 3.97Å; D61-R102 IonicContact OD2-NH1 2.85Å; D61-R102 PolarHBondContact OD2-NH1 3.09Å; R102-N136 HydrophobicContact CB-CB 4.46Å; R102-N136 PolarHBondContact N-O 3.42Å; R102-N136 PolarHBondContact O-N 3.46Å
103F97.3Very high95.7Very high58 Ų5870.3 Ų70.325%0.25435%0.347SS..EExtended strand (participates in β ladder)trans-102.8130.3175-68.7-93.4000111.6F57 D61 V101 T133 F134 I135F57-F103 HydrophobicContact CD1-CE1 4.3Å; F57-F103 AromaticContact CD1-CZ 3.99Å; F57-F103 HydrophobicContact CD1-CZ 3.99Å; F57-F103 AromaticContact CE1-CE1 3.38Å; F57-F103 HydrophobicContact CE1-CE1 3.38Å; F57-F103 AromaticContact CE1-CZ 3.5Å; F57-F103 HydrophobicContact CE1-CZ 3.5Å; F57-F103 VanDerWaalsContact CE1-CZ 3.5Å; F57-F103 AromaticContact CZ-CE1 3.65Å; F57-F103 HydrophobicContact CZ-CE1 3.65Å; F57-F103 AromaticContact CZ-CZ 3.93Å; F57-F103 HydrophobicContact CZ-CZ 3.93Å; D61-F103 HydrophobicContact CB-CD2 3.75Å; D61-F103 HydrophobicContact CB-CE2 4.15Å; D61-F103 WeakPolarHBondContact OD1-CD2 3.24Å; D61-F103 PolarHBondContact OD1-N 2.75Å; V101-F103 HydrophobicContact CG1-CD2 4.36Å; V101-F103 HydrophobicContact CG1-CE2 3.77Å; V101-F103 HydrophobicContact CG1-CZ 4.27Å; F103-T133 HydrophobicContact CD1-CG2 4.39Å; F103-F134 WeakPolarHBondContact CA-O 3.31Å; F103-I135 HydrophobicContact CD1-CD1 4.33Å; F103-I135 HydrophobicContact CD1-CG1 3.87Å; F103-I135 HydrophobicContact CE1-CB 4.43Å; F103-I135 HydrophobicContact CE1-CD1 3.44Å; F103-I135 VanDerWaalsContact CE1-CD1 3.44Å; F103-I135 HydrophobicContact CE1-CG1 3.48Å; F103-I135 VanDerWaalsContact CE1-CG1 3.48Å; F103-I135 HydrophobicContact CE1-CG2 4.34Å; F103-I135 HydrophobicContact CZ-CD1 3.94Å; F103-I135 HydrophobicContact CZ-CG1 4.26Å; F103-I135 HydrophobicContact CZ-CG2 4.39Å
104T97.7Very high95.2Very high45 Ų4573.6 Ų73.628%0.27636%0.364SS..EExtended strand (participates in β ladder)trans-130.7160.4179.955.90000111.2E106 T133 F134 N136T104-E106 WeakPolarHBondContact CB-OE1 3.39Å; T104-E106 PolarHBondContact OG1-OE1 3.26Å; T104-T133 CarbonylContact O-C 3.43Å; T104-T133 WeakPolarHBondContact O-CA 3.47Å; T104-F134 PolarHBondContact N-O 2.93Å; T104-F134 VanDerWaalsContact N-O 3.08Å; T104-F134 PolarHBondContact O-N 2.96Å; T104-N136 PolarHBondContact OG1-ND2 3.45Å; T104-N136 VanDerWaalsContact OG1-ND2 3.11Å
105K97.7Very high94.8Very high146 Ų14674 Ų7464%0.63537%0.374SS*.EExtended strand (participates in β ladder)trans-112.8102.6172-63.4-68.5-176.6170.90107.7K132 T133K105-K132 WeakPolarHBondContact CA-O 3.15Å; K105-T133 HydrophobicContact CD-CG2 4.23Å; K105-T133 PolarHBondContact NZ-OG1 2.88Å
106E97.1Very high94.4Very high74 Ų7480.9 Ų80.935%0.34641%0.406SS..EExtended strand (participates in β ladder)trans-117.3160.8-173.6-59.1170.8-162.600110.6T104 Y108 Y131 K132 F134 N136T104-E106 WeakPolarHBondContact CB-OE1 3.39Å; T104-E106 PolarHBondContact OG1-OE1 3.26Å; E106-Y108 PolarHBondContact O-N 2.82Å; E106-Y131 WeakPolarHBondContact O-CA 3.33Å; E106-K132 PolarHBondContact N-O 3.26Å; E106-K132 PolarHBondContact O-N 3.07Å; E106-F134 HydrophobicContact CB-CD2 3.6Å; E106-F134 HydrophobicContact CB-CE2 3.77Å; E106-F134 HydrophobicContact CB-CG 4.39Å; E106-F134 HydrophobicContact CG-CD2 4.18Å; E106-N136 PolarHBondContact OE1-ND2 2.84Å
107V96.3Very high94Very high67 Ų6777.9 Ų77.941%0.40639%0.391SS..EExtended strand (participates in β ladder)trans-68.4128.6176.5177.10000109.3I109 V129 L130 Y131V107-I109 HydrophobicContact CG1-CD1 4.46Å; V107-I109 HydrophobicContact CG1-CG1 4.03Å; V107-I109 PolarHBondContact O-N 2.94Å; V107-V129 HydrophobicContact CB-CG1 4.05Å; V107-V129 HydrophobicContact CG1-CG1 3.33Å; V107-V129 HydrophobicContact CG2-CG1 3.64Å; V107-L130 CarbonylContact C-O 3.58Å; V107-L130 WeakPolarHBondContact CA-O 3.39Å; V107-Y131 HydrophobicContact CG2-CD1 4.15Å; V107-Y131 HydrophobicContact CG2-CE1 3.58Å
108Y95Very high93.6Very high52 Ų5278.1 Ų78.120%0.20440%0.396CS..  trans-89.2108.6-179.6179.7-110.7000111.1H80 E106 P110 V117 L130 K132 F134H80-Y108 AromaticContact CE1-CD2 3.97Å; H80-Y108 AromaticContact CE1-CE2 3.5Å; H80-Y108 VanDerWaalsContact CE1-CE2 3.5Å; H80-Y108 WeakPolarHBondContact CE1-CE2 3.46Å; H80-Y108 AromaticContact ND1-CE2 3.64Å; E106-Y108 PolarHBondContact O-N 2.82Å; Y108-P110 HydrophobicContact CE1-CB 4.01Å; Y108-P110 HydrophobicContact CE1-CG 4.29Å; Y108-V117 HydrophobicContact CE1-CG1 3.88Å; Y108-L130 HydrophobicContact CD1-CD1 4.42Å; Y108-L130 PolarHBondContact N-O 3.21Å; Y108-K132 HydrophobicContact CD1-CG 4.39Å; Y108-K132 HydrophobicContact CD2-CB 4.44Å; Y108-K132 HydrophobicContact CD2-CG 3.9Å; Y108-K132 HydrophobicContact CG-CG 3.68Å; Y108-F134 HydrophobicContact CD2-CZ 4.29Å
109I92.2Very high93.4Very high146 Ų14684.5 Ų84.575%0.74942%0.418SS*.  trans-114.4103.2175.3-54.2177.2000107.4V107V107-I109 HydrophobicContact CG1-CD1 4.46Å; V107-I109 HydrophobicContact CG1-CG1 4.03Å; V107-I109 PolarHBondContact O-N 2.94Å
110P90.3Very high93.1Very high29 Ų2988.5 Ų88.519%0.18844%0.442CS..  trans-76.1160.4178.635.1-40.1000111.7Y108 V117 I121Y108-P110 HydrophobicContact CE1-CB 4.01Å; Y108-P110 HydrophobicContact CE1-CG 4.29Å; P110-V117 HydrophobicContact CB-CB 4.28Å; P110-V117 HydrophobicContact CB-CG1 3.75Å; P110-V117 HydrophobicContact CG-CB 4.33Å; P110-V117 HydrophobicContact CG-CG1 3.54Å; P110-I121 HydrophobicContact CG-CD1 3.41Å; P110-I121 VanDerWaalsContact CG-CD1 3.41Å
111A89.6Confident92.8Very high68 Ų6888.3 Ų88.356%0.56244%0.442SS*.  trans-65.2143.2166.600000110.5R113 D114A111-R113 PolarHBondContact O-N 3.18Å; A111-D114 PolarHBondContact O-N 3.43Å
112P87.9Confident92.5Very high121 Ų12193.2 Ų93.279%0.78647%0.473SS*.THydrogen-bonded Turntrans-67.4-6.3-175.727.3-35.9000114.3
113R91Very high92.3Very high235 Ų23595.9 Ų95.989%0.88749%0.488SS*.THydrogen-bonded Turntrans-79.4-18.3-177.2-66-177.4-175.9163.31.5113.8A111 P115A111-R113 PolarHBondContact O-N 3.18Å; R113-P115 VanDerWaalsContact O-CD 3.24Å; R113-P115 WeakPolarHBondContact O-CD 2.99Å
114D88.7Confident92.2Very high69 Ų6995.8 Ų95.837%0.36949%0.489SS..  trans-85.8108.1-175.4-164.6-26.3000110.8A111 E116 V117 T118A111-D114 PolarHBondContact O-N 3.43Å; D114-E116 VanDerWaalsContact C-N 3.3Å; D114-E116 PolarHBondContact O-N 3.37Å; D114-E116 PolarHBondContact OD1-N 3.46Å; D114-V117 HydrophobicContact CB-CB 4.34Å; D114-V117 HydrophobicContact CB-CG2 4.12Å; D114-V117 WeakPolarHBondContact OD2-CG2 3.5Å; D114-T118 WeakPolarHBondContact O-CB 3.4Å; D114-T118 PolarHBondContact O-N 3.12Å; D114-T118 VanDerWaalsContact O-N 3.12Å; D114-T118 PolarHBondContact O-OG1 2.9Å
115P88.9Confident92.1Very high78 Ų7897.8 Ų97.851%0.50650%0.503SS..Hα-helixtrans-69.5-29-174.629.3-35000112R113 R119R113-P115 VanDerWaalsContact O-CD 3.24Å; R113-P115 WeakPolarHBondContact O-CD 2.99Å; P115-R119 WeakPolarHBondContact O-CB 3.43Å; P115-R119 WeakPolarHBondContact O-CD 3.37Å; P115-R119 WeakPolarHBondContact O-CG 3.46Å; P115-R119 PolarHBondContact O-N 2.77Å; P115-R119 VanDerWaalsContact O-N 3.13Å
116E88.9Confident92Very high146 Ų146101.1 Ų101.168%0.68252%0.518SS*.Hα-helixtrans-69.3-45.8-179-65.7-168.5168.600110.7D114 R119 V120D114-E116 VanDerWaalsContact C-N 3.3Å; D114-E116 PolarHBondContact O-N 3.37Å; D114-E116 PolarHBondContact OD1-N 3.46Å; E116-R119 PolarHBondContact O-N 2.89Å; E116-V120 PolarHBondContact O-N 2.83Å
117V89.7Confident91.7Very high28 Ų28101.4 Ų101.417%0.1754%0.54CS..Hα-helixtrans-69.8-40.6-179.2-169.80000110.7Y108 P110 D114 R119 V120 I121Y108-V117 HydrophobicContact CE1-CG1 3.88Å; P110-V117 HydrophobicContact CB-CB 4.28Å; P110-V117 HydrophobicContact CB-CG1 3.75Å; P110-V117 HydrophobicContact CG-CB 4.33Å; P110-V117 HydrophobicContact CG-CG1 3.54Å; D114-V117 HydrophobicContact CB-CB 4.34Å; D114-V117 HydrophobicContact CB-CG2 4.12Å; D114-V117 WeakPolarHBondContact OD2-CG2 3.5Å; V117-R119 VanDerWaalsContact C-N 3.32Å; V117-R119 PolarHBondContact O-N 3.13Å; V117-V120 PolarHBondContact O-N 3.05Å; V117-V120 VanDerWaalsContact O-N 3.09Å; V117-I121 HydrophobicContact CG1-CD1 3.74Å; V117-I121 HydrophobicContact CG1-CG1 4.21Å; V117-I121 WeakPolarHBondContact O-CG1 3.49Å; V117-I121 PolarHBondContact O-N 3.48Å
118T88.8Confident91.7Very high56 Ų56101.9 Ų101.934%0.34454%0.543SS..Hα-helixtrans-57.5-46.1176.6-56.10000110.9D114 V120 I121 T122D114-T118 WeakPolarHBondContact O-CB 3.4Å; D114-T118 PolarHBondContact O-N 3.12Å; D114-T118 VanDerWaalsContact O-N 3.12Å; D114-T118 PolarHBondContact O-OG1 2.9Å; T118-V120 PolarHBondContact O-N 3.47Å; T118-I121 PolarHBondContact O-N 2.85Å; T118-T122 HydrophobicContact CG2-CG2 4.13Å; T118-T122 VanDerWaalsContact O-CG2 3.24Å; T118-T122 WeakPolarHBondContact O-CG2 3.48Å; T118-T122 PolarHBondContact O-N 3.17Å; T118-T122 PolarHBondContact O-OG1 2.84Å; T118-T122 VanDerWaalsContact O-OG1 3.07Å
119R91.8Very high91.7Very high169 Ų169102.7 Ų102.764%0.63855%0.553SS**Hα-helixtrans-59.7-29.7177.4-74.8168.1-175.2-170.52.7114P115 E116 V117 T122 K123P115-R119 WeakPolarHBondContact O-CB 3.43Å; P115-R119 WeakPolarHBondContact O-CD 3.37Å; P115-R119 WeakPolarHBondContact O-CG 3.46Å; P115-R119 PolarHBondContact O-N 2.77Å; P115-R119 VanDerWaalsContact O-N 3.13Å; E116-R119 PolarHBondContact O-N 2.89Å; V117-R119 VanDerWaalsContact C-N 3.32Å; V117-R119 PolarHBondContact O-N 3.13Å; R119-T122 PolarHBondContact O-OG1 3.48Å; R119-K123 WeakPolarHBondContact O-CD 3.18Å; R119-K123 VanDerWaalsContact O-CG 3.31Å; R119-K123 WeakPolarHBondContact O-CG 3.16Å
120V91.4Very high91.7Very high84 Ų8498.2 Ų98.251%0.50953%0.531SS..Hα-helixtrans-79.8-49.6177.5174.70000110E116 V117 T118 T122 K123E116-V120 PolarHBondContact O-N 2.83Å; V117-V120 PolarHBondContact O-N 3.05Å; V117-V120 VanDerWaalsContact O-N 3.09Å; T118-V120 PolarHBondContact O-N 3.47Å; V120-T122 VanDerWaalsContact C-N 3.32Å; V120-T122 PolarHBondContact O-N 2.81Å; V120-K123 PolarHBondContact O-N 3.49Å; V120-K123 VanDerWaalsContact O-N 3.11Å
121I91.9Very high92Very high64 Ų64104 Ų10433%0.32855%0.549SS..Hα-helixtrans-61.6-40.8-176.9-68.5176.5000111.3P110 V117 T118 K123 L124 L130P110-I121 HydrophobicContact CG-CD1 3.41Å; P110-I121 VanDerWaalsContact CG-CD1 3.41Å; V117-I121 HydrophobicContact CG1-CD1 3.74Å; V117-I121 HydrophobicContact CG1-CG1 4.21Å; V117-I121 WeakPolarHBondContact O-CG1 3.49Å; V117-I121 PolarHBondContact O-N 3.48Å; T118-I121 PolarHBondContact O-N 2.85Å; I121-K123 PolarHBondContact O-N 2.88Å; I121-L124 WeakPolarHBondContact O-CB 3.37Å; I121-L124 PolarHBondContact O-N 3.13Å; I121-L130 HydrophobicContact CG1-CD1 4.03Å
122T91.6Very high92.4Very high105 Ų105104.8 Ų104.864%0.64454%0.54SS*.THydrogen-bonded Turntrans-64.2-21.8179.455.70000113.7T118 R119 V120T118-T122 HydrophobicContact CG2-CG2 4.13Å; T118-T122 VanDerWaalsContact O-CG2 3.24Å; T118-T122 WeakPolarHBondContact O-CG2 3.48Å; T118-T122 PolarHBondContact O-N 3.17Å; T118-T122 PolarHBondContact O-OG1 2.84Å; T118-T122 VanDerWaalsContact O-OG1 3.07Å; R119-T122 PolarHBondContact O-OG1 3.48Å; V120-T122 VanDerWaalsContact C-N 3.32Å; V120-T122 PolarHBondContact O-N 2.81Å
123K94.4Very high92.8Very high174 Ų174100.1 Ų100.176%0.75751%0.51SS*.THydrogen-bonded Turntrans-89.2-7.5178.6-67.2177.1-175.7-176.40112.7R119 V120 I121R119-K123 WeakPolarHBondContact O-CD 3.18Å; R119-K123 VanDerWaalsContact O-CG 3.31Å; R119-K123 WeakPolarHBondContact O-CG 3.16Å; V120-K123 PolarHBondContact O-N 3.49Å; V120-K123 VanDerWaalsContact O-N 3.11Å; I121-K123 PolarHBondContact O-N 2.88Å
124L94.4Very high93.2Very high56 Ų5690.1 Ų90.129%0.29347%0.473SS..SBendtrans-74.3146.5-180-65.5174.8000111I121 L130I121-L124 WeakPolarHBondContact O-CB 3.37Å; I121-L124 PolarHBondContact O-N 3.13Å; L124-L130 HydrophobicContact CD1-CD1 4.01Å; L124-L130 HydrophobicContact CD1-CD2 3.86Å; L124-L130 HydrophobicContact CD1-CG 3.84Å
125P96.9Very high93.6Very high86 Ų8686.8 Ų86.856%0.55846%0.455SS*.PPolyproline II helixtrans-61.9151171.7-6.817.7000110.9G127 V128P125-G127 PolarHBondContact O-N 2.67Å; P125-V128 HydrophobicContact CB-CG2 4.01Å; P125-V128 HydrophobicContact CG-CG2 3.78Å; P125-V128 PolarHBondContact O-N 3.26Å
126K94.4Very high94Very high217 Ų21784.2 Ų84.294%0.94344%0.437SS*.THydrogen-bonded Turntrans-59.9134174.1-64.5-176.5-179.5-179.30110
127G92.1Very high94.5Very high79 Ų7977.3 Ų77.381%0.81441%0.405SS*.THydrogen-bonded Turntrans90.8-7.4-178.400000115.1P125P125-G127 PolarHBondContact O-N 2.67Å
128V95.1Very high94.8Very high77 Ų7781.9 Ų81.947%0.46743%0.426SS..  trans-81.6129.8174.4177.50000110.6P125P125-V128 HydrophobicContact CB-CG2 4.01Å; P125-V128 HydrophobicContact CG-CG2 3.78Å; P125-V128 PolarHBondContact O-N 3.26Å
129V94.6Very high95.2Very high69 Ų6981.6 Ų81.642%0.41843%0.425SS..  trans-115.5136.6179.4-176.50000109.8V107 Y131V107-V129 HydrophobicContact CB-CG1 4.05Å; V107-V129 HydrophobicContact CG1-CG1 3.33Å; V107-V129 HydrophobicContact CG2-CG1 3.64Å; V129-Y131 HydrophobicContact CB-CE2 4.09Å; V129-Y131 HydrophobicContact CG1-CE2 4.05Å
130L94.1Very high95.2Very high53 Ų5377.7 Ų77.728%0.27742%0.42SS..  trans-88.8124.5175-63.7-179.6000109.6V107 Y108 I121 L124V107-L130 CarbonylContact C-O 3.58Å; V107-L130 WeakPolarHBondContact CA-O 3.39Å; Y108-L130 HydrophobicContact CD1-CD1 4.42Å; Y108-L130 PolarHBondContact N-O 3.21Å; I121-L130 HydrophobicContact CG1-CD1 4.03Å; L124-L130 HydrophobicContact CD1-CD1 4.01Å; L124-L130 HydrophobicContact CD1-CD2 3.86Å; L124-L130 HydrophobicContact CD1-CG 3.84Å
131Y96.3Very high95Very high149 Ų14980.5 Ų80.558%0.58443%0.425SS*.EExtended strand (participates in β ladder)trans-103.3139.9171.3-69.4-88.8000110.8E106 V107 V129E106-Y131 WeakPolarHBondContact O-CA 3.33Å; V107-Y131 HydrophobicContact CG2-CD1 4.15Å; V107-Y131 HydrophobicContact CG2-CE1 3.58Å; V129-Y131 HydrophobicContact CB-CE2 4.09Å; V129-Y131 HydrophobicContact CG1-CE2 4.05Å
132K96.9Very high94.5Very high85 Ų8585.9 Ų85.937%0.3745%0.449SS..EExtended strand (participates in β ladder)trans-129.9161174-68.4-65.9-177.1-1790110.8K105 E106 Y108 F134K105-K132 WeakPolarHBondContact CA-O 3.15Å; E106-K132 PolarHBondContact N-O 3.26Å; E106-K132 PolarHBondContact O-N 3.07Å; Y108-K132 HydrophobicContact CD1-CG 4.39Å; Y108-K132 HydrophobicContact CD2-CB 4.44Å; Y108-K132 HydrophobicContact CD2-CG 3.9Å; Y108-K132 HydrophobicContact CG-CG 3.68Å; K132-F134 HydrophobicContact CB-CD2 4.33Å; K132-F134 HydrophobicContact CB-CE2 3.75Å; K132-F134 HydrophobicContact CB-CZ 4.4Å; K132-F134 WeakPolarHBondContact O-CD2 3.49Å
133T97.6Very high93.9Very high23 Ų2389.2 Ų89.214%0.14146%0.457CS..EExtended strand (participates in β ladder)trans-89.5123176.4-38.60000108.3Y79 H80 F103 T104 K105Y79-T133 HydrophobicContact CD1-CG2 3.86Å; Y79-T133 HydrophobicContact CE1-CG2 4.2Å; H80-T133 PolarHBondContact N-O 3.28Å; F103-T133 HydrophobicContact CD1-CG2 4.39Å; T104-T133 CarbonylContact O-C 3.43Å; T104-T133 WeakPolarHBondContact O-CA 3.47Å; K105-T133 HydrophobicContact CD-CG2 4.23Å; K105-T133 PolarHBondContact NZ-OG1 2.88Å
134F98Very high93.3Very high25 Ų2583.4 Ų83.411%0.1145%0.446CS..EExtended strand (participates in β ladder)trans-107.5147.3176.8-71-100.3000109.9H80 P81 F103 T104 E106 Y108 K132H80-F134 HydrophobicContact CB-CD1 3.6Å; H80-F134 HydrophobicContact CB-CD2 4.47Å; H80-F134 HydrophobicContact CB-CE1 3.53Å; H80-F134 HydrophobicContact CB-CE2 4.43Å; H80-F134 HydrophobicContact CB-CG 4.1Å; H80-F134 HydrophobicContact CB-CZ 3.98Å; H80-F134 WeakPolarHBondContact O-CA 3.47Å; P81-F134 VanDerWaalsContact O-CD1 3.31Å; P81-F134 WeakPolarHBondContact O-CD1 3.49Å; F103-F134 WeakPolarHBondContact CA-O 3.31Å; T104-F134 PolarHBondContact N-O 2.93Å; T104-F134 VanDerWaalsContact N-O 3.08Å; T104-F134 PolarHBondContact O-N 2.96Å; E106-F134 HydrophobicContact CB-CD2 3.6Å; E106-F134 HydrophobicContact CB-CE2 3.77Å; E106-F134 HydrophobicContact CB-CG 4.39Å; E106-F134 HydrophobicContact CG-CD2 4.18Å; Y108-F134 HydrophobicContact CD2-CZ 4.29Å; K132-F134 HydrophobicContact CB-CD2 4.33Å; K132-F134 HydrophobicContact CB-CE2 3.75Å; K132-F134 HydrophobicContact CB-CZ 4.4Å; K132-F134 WeakPolarHBondContact O-CD2 3.49Å
135I97.9Very high92.9Very high0 Ų089.3 Ų89.30%047%0.47CS..EExtended strand (participates in β ladder)trans-108.3123.8169.3-48.5-169.7000107F57 L71 A72 Y79 H80 G82 V85 L93 V101 F103F57-I135 HydrophobicContact CE1-CD1 4.09Å; L71-I135 HydrophobicContact CD1-CG2 3.89Å; A72-I135 HydrophobicContact CB-CD1 4.24Å; Y79-I135 HydrophobicContact CG-CD1 4.15Å; Y79-I135 HydrophobicContact CG-CG1 4.46Å; H80-I135 PolarHBondContact O-N 3.17Å; G82-I135 WeakPolarHBondContact CA-O 3.41Å; G82-I135 PolarHBondContact N-O 2.92Å; V85-I135 WeakPolarHBondContact CG2-O 3.25Å; L93-I135 HydrophobicContact CD1-CB 4.48Å; L93-I135 HydrophobicContact CD1-CD1 3.55Å; L93-I135 HydrophobicContact CD1-CG1 3.99Å; V101-I135 HydrophobicContact CG1-CG2 3.69Å; F103-I135 HydrophobicContact CD1-CD1 4.33Å; F103-I135 HydrophobicContact CD1-CG1 3.87Å; F103-I135 HydrophobicContact CE1-CB 4.43Å; F103-I135 HydrophobicContact CE1-CD1 3.44Å; F103-I135 VanDerWaalsContact CE1-CD1 3.44Å; F103-I135 HydrophobicContact CE1-CG1 3.48Å; F103-I135 VanDerWaalsContact CE1-CG1 3.48Å; F103-I135 HydrophobicContact CE1-CG2 4.34Å; F103-I135 HydrophobicContact CZ-CD1 3.94Å; F103-I135 HydrophobicContact CZ-CG1 4.26Å; F103-I135 HydrophobicContact CZ-CG2 4.39Å
136N98Very high92.5Very high23 Ų2395.3 Ų95.312%0.12349%0.487CS..EExtended strand (participates in β ladder)trans-113.5150.6178.2-63-32.8000109G82 A83 V101 R102 T104 E106G82-N136 WeakPolarHBondContact CA-OD1 3.5Å; A83-N136 HydrophobicContact CB-CB 4.47Å; A83-N136 PolarHBondContact N-OD1 3.43Å; A83-N136 WeakPolarHBondContact O-CA 3.48Å; V101-N136 CarbonylContact C-O 3.6Å; V101-N136 WeakPolarHBondContact CA-O 3.4Å; R102-N136 HydrophobicContact CB-CB 4.46Å; R102-N136 PolarHBondContact N-O 3.42Å; R102-N136 PolarHBondContact O-N 3.46Å; T104-N136 PolarHBondContact OG1-ND2 3.45Å; T104-N136 VanDerWaalsContact OG1-ND2 3.11Å; E106-N136 PolarHBondContact OE1-ND2 2.84Å
137V98Very high92.3Very high1 Ų192.8 Ų92.81%0.00648%0.476CS..EExtended strand (participates in β ladder)trans-116.3120.6166.3175.70000107.5V65 L71 A83 H84 V85 A95 H100 P139V65-V137 HydrophobicContact CG2-CG1 3.96Å; V65-V137 HydrophobicContact CG2-CG2 4.1Å; L71-V137 HydrophobicContact CD1-CG2 3.9Å; A83-V137 PolarHBondContact O-N 2.8Å; H84-V137 HydrophobicContact CB-CB 4.2Å; H84-V137 PolarHBondContact CD2-O 3.02Å; H84-V137 VanDerWaalsContact CD2-O 3.26Å; V85-V137 HydrophobicContact CG2-CB 4.46Å; V85-V137 HydrophobicContact CG2-CG2 3.76Å; A95-V137 HydrophobicContact CB-CG2 4.02Å; H100-V137 WeakPolarHBondContact O-CA 3.43Å; V137-P139 WeakPolarHBondContact O-CD 3.11Å
138M96.9Very high92.3Very high124 Ų12495.3 Ų95.361%0.61147%0.47SS*.EExtended strand (participates in β ladder)trans-88.7111.4175.9179.8-171.217800108.9G99 H100G99-M138 CarbonylContact C-O 3.57Å; G99-M138 WeakPolarHBondContact CA-O 3.18Å; H100-M138 PolarHBondContact N-O 2.76Å; H100-M138 PolarHBondContact O-N 3.24Å
139P96Very high92.2Very high50 Ų5097.5 Ų97.533%0.32548%0.484SS..EExtended strand (participates in β ladder)trans-65.9140.6-178.125.5-32.7000111.8E97 D98 V137E97-P139 WeakPolarHBondContact OE2-CB 3.26Å; D98-P139 WeakPolarHBondContact O-CA 3.46Å; V137-P139 WeakPolarHBondContact O-CD 3.11Å
140V92.4Very high92.1Very high88 Ų88100.3 Ų100.353%0.53350%0.496SS..  trans-96.7-33.4177.8175.40000111.7F64 D98F64-V140 HydrophobicContact CD2-CG2 4.38Å; F64-V140 HydrophobicContact CE2-CB 4.41Å; F64-V140 HydrophobicContact CE2-CG2 4.05Å; D98-V140 PolarHBondContact O-N 2.81Å
141K86.6Confident91.7Very high142 Ų142105 Ų10562%0.61752%0.521SS*.SBendtrans-86.8130.9-178.6-66.6173.9-177.9163.90109.3D98D98-K141 IonicContact OD2-NZ 2.76Å; D98-K141 PolarHBondContact OD2-NZ 3.44Å
142Q81.9Confident91Very high178 Ų178108 Ų10883%0.83255%0.554SS**  trans-79.8129.6168.5-170.1172.21.900109.1G144Q142-G144 VanDerWaalsContact C-N 3.26Å; Q142-G144 PolarHBondContact O-N 3.47Å
143E78.4Confident90.8Very high175 Ų175109.2 Ų109.282%0.81856%0.564SS**SBendtrans-73.777.2-179.2-60.3-170.5158.500110.9
144G81.9Confident90.4Very high51 Ų51113.7 Ų113.753%0.52659%0.586SS.*  trans117.8122.5171.100000113.9Q142Q142-G144 VanDerWaalsContact C-N 3.26Å; Q142-G144 PolarHBondContact O-N 3.47Å
145K86.9Confident90Very high181 Ų181118.7 Ų118.779%0.78761%0.612SS**  trans-108.1114.5164-178.6173.2-179.2175.50107.2K147K145-K147 PolarHBondContact O-N 3.13Å
146F88.5Confident89.5Confident211 Ų211125.6 Ų125.693%0.92565%0.648SS**  trans-62.8123.6169.8-62.3-78.1000108.3
147K90Very high89Confident165 Ų165132.1 Ų132.172%0.71768%0.681SS**  trans-110.6132.8171.6-64.2-177.1-176.6178.40106.6K145 V149K145-K147 PolarHBondContact O-N 3.13Å; K147-V149 PolarHBondContact O-N 3.25Å
148L93Very high88.4Confident132 Ų132140.8 Ų140.869%0.69173%0.726SS**  trans-60.7121.9167-179.466.8000107.4D150 L151L148-D150 WeakPolarHBondContact CD1-O 3.29Å; L148-L151 HydrophobicContact CD1-CD2 4.17Å; L148-L151 HydrophobicContact CD2-CD2 3.66Å; L148-L151 HydrophobicContact CD2-CG 3.91Å; L148-L151 HydrophobicContact CG-CD2 4.43Å
149V93.2Very high87.8Confident123 Ų123142 Ų14275%0.74573%0.734SS**  trans-88.7-53.8179-178.60000108.8K147K147-V149 PolarHBondContact O-N 3.25Å
150D90.9Very high87.1Confident127 Ų127149.1 Ų149.168%0.67977%0.766SS**  trans-141149.6178.8-66.6-50.6000111.6L148L148-D150 WeakPolarHBondContact CD1-O 3.29Å
151L85.7Confident86.7Confident153 Ų153154.2 Ų154.280%0.80179%0.785SS**  trans-94.4115163.6-68.7172.7000107.2L148L148-L151 HydrophobicContact CD1-CD2 4.17Å; L148-L151 HydrophobicContact CD2-CD2 3.66Å; L148-L151 HydrophobicContact CD2-CG 3.91Å; L148-L151 HydrophobicContact CG-CD2 4.43Å
152V83.3Confident86.7Confident212 Ų212155.3 Ų155.3100%1.28580%0.801SS**  trans-81.10170.6-178.70000109.3

Retrieved 152 of 152 residues in 362.5 ms (Link to these results)