A0A060WXA6_ONCMY Loading...

Protein phosphatase 1 regulatory subunit 27

AlphaFold DB , UniProt , Accession A0A060WXA6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110493656, Length 174 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
1M33.8Very low39.6Very low158 Ų158129.2 Ų129.278%0.77864%0.643SS**  0124.80-80.8154.3170.800107.9Y3 K20M1-Y3 HydrophobicContact CB-CE2 3.99Å; M1-Y3 WeakPolarHBondContact O-CD2 3.47Å; M1-Y3 PolarHBondContact O-N 3.11Å; M1-K20 WeakPolarHBondContact CE-O 3.43Å
2K28.4Very low40Very low216 Ų216131.3 Ų131.394%0.93965%0.653SS**  trans-75.9107.2170.9-69.2-176-179.6-1790106.6
3Y33.1Very low40.1Very low162 Ų162127 Ų12764%0.63566%0.662SS**  trans-79.4118.6171.5-62.9-83.3000107.1M1 Y17M1-Y3 HydrophobicContact CB-CE2 3.99Å; M1-Y3 WeakPolarHBondContact O-CD2 3.47Å; M1-Y3 PolarHBondContact O-N 3.11Å; Y3-Y17 HydrophobicContact CD1-CD1 4.41Å
4Y37.1Very low40.1Very low199 Ų199127 Ų12778%0.7866%0.661SS**  trans-82.1125.8176-163.8-95.3000108.2D6Y4-D6 PolarHBondContact O-N 3.06Å
5Q41.4Very low40.1Very low118 Ų118127.1 Ų127.155%0.55166%0.657SS**  trans-75.6110.2165.2-85.5169.2-32.700107P7 Q10Q5-P7 VanDerWaalsContact O-CD 3.3Å; Q5-P7 WeakPolarHBondContact O-CD 3.28Å; Q5-Q10 VanDerWaalsContact CD-NE2 3.27Å
6D40.3Very low39.9Very low87 Ų87124.9 Ų124.947%0.46566%0.664SS.*  trans-64.9118.9166.6-165.3-38.5000108.1Y4 V8 C9Y4-D6 PolarHBondContact O-N 3.06Å; D6-V8 PolarHBondContact O-N 2.77Å; D6-V8 VanDerWaalsContact O-N 3.1Å; D6-V8 WeakPolarHBondContact OD1-CB 3.3Å; D6-V8 WeakPolarHBondContact OD1-CG2 3.37Å; D6-V8 PolarHBondContact OD1-N 2.92Å; D6-C9 PolarHBondContact O-N 2.76Å; D6-C9 VanDerWaalsContact O-N 3.15Å
7P44.5Very low40Very low85 Ų85125.6 Ų125.655%0.55266%0.656SS**THydrogen-bonded Turntrans-59.3-21-179.1-21.632.5000113.3Q5Q5-P7 VanDerWaalsContact O-CD 3.3Å; Q5-P7 WeakPolarHBondContact O-CD 3.28Å
8V42.8Very low39.8Very low109 Ų109122.2 Ų122.266%0.66166%0.657SS**THydrogen-bonded Turntrans-74.3-27.1-179.4-1750000111.8D6 S11D6-V8 PolarHBondContact O-N 2.77Å; D6-V8 VanDerWaalsContact O-N 3.1Å; D6-V8 WeakPolarHBondContact OD1-CB 3.3Å; D6-V8 WeakPolarHBondContact OD1-CG2 3.37Å; D6-V8 PolarHBondContact OD1-N 2.92Å; V8-S11 PolarHBondContact O-OG 2.9Å
9C45.5Very low39.3Very low63 Ų63122.6 Ų122.643%0.42667%0.666SS.*THydrogen-bonded Turntrans-83.1-15.5-179.5-690000114.1D6 S11D6-C9 PolarHBondContact O-N 2.76Å; D6-C9 VanDerWaalsContact O-N 3.15Å; C9-S11 PolarHBondContact O-N 3.49Å
10Q44Very low39.2Very low122 Ų122125.9 Ų125.957%0.5767%0.674SS**THydrogen-bonded Turntrans-73-24-179-82.2-179.4500113.7Q5Q5-Q10 VanDerWaalsContact CD-NE2 3.27Å
11S44.5Very low39.2Very low102 Ų102128.8 Ų128.871%0.71368%0.683SS**THydrogen-bonded Turntrans-81.4-14.7-179.459.70000114V8 C9V8-S11 PolarHBondContact O-OG 2.9Å; C9-S11 PolarHBondContact O-N 3.49Å
12M45.2Very low39.5Very low155 Ų155125.8 Ų125.876%0.76468%0.678SS**THydrogen-bonded Turntrans-110.52-177.6-68-174.9175.600114I14M12-I14 VanDerWaalsContact C-N 3.3Å; M12-I14 VanDerWaalsContact O-CG1 3.31Å; M12-I14 WeakPolarHBondContact O-CG1 3.45Å; M12-I14 PolarHBondContact O-N 3.45Å
13G41.1Very low39.7Very low75 Ų75120.8 Ų120.877%0.77367%0.67SS**THydrogen-bonded Turntrans71.115.1170.700000116.2
14I39.4Very low40Very low127 Ų127118.1 Ų118.165%0.65168%0.675SS**  trans-120131.4179.4-27-180000109.6M12M12-I14 VanDerWaalsContact C-N 3.3Å; M12-I14 VanDerWaalsContact O-CG1 3.31Å; M12-I14 WeakPolarHBondContact O-CG1 3.45Å; M12-I14 PolarHBondContact O-N 3.45Å
15Q40.6Very low39.9Very low128 Ų128114.2 Ų114.260%0.59868%0.677SS**  trans-107.9109.4173.9-69.7-175.1-26.900110.2Y17Q15-Y17 HydrophobicContact CB-CD2 4.4Å; Q15-Y17 HydrophobicContact CB-CE2 3.65Å; Q15-Y17 HydrophobicContact CG-CE2 4.44Å; Q15-Y17 PolarHBondContact NE2-OH 3.07Å; Q15-Y17 PolarHBondContact OE1-OH 2.94Å
16A36.6Very low39.9Very low92 Ų92113.7 Ų113.776%0.7669%0.686SS**  trans-95.4134.7168.900000110.4
17Y41.4Very low39.3Very low138 Ų138114.8 Ų114.854%0.54170%0.7SS.*  trans-128.7125175.6-63.8-72.2000110.8Y3 Q15Y3-Y17 HydrophobicContact CD1-CD1 4.41Å; Q15-Y17 HydrophobicContact CB-CD2 4.4Å; Q15-Y17 HydrophobicContact CB-CE2 3.65Å; Q15-Y17 HydrophobicContact CG-CE2 4.44Å; Q15-Y17 PolarHBondContact NE2-OH 3.07Å; Q15-Y17 PolarHBondContact OE1-OH 2.94Å
18G36.8Very low39Very low64 Ų64115.9 Ų115.966%0.6672%0.716SS**  trans-117.6155.7169.600000111.6
19P31.2Very low38.5Very low129 Ų129118 Ų11884%0.83872%0.718SS**  trans-82.6144-172.632.3-32.1000112.3
20K36.2Very low38.1Very low189 Ų189120.6 Ų120.682%0.82274%0.737SS**  trans-111.1131.9155.9-99.4-167.5176.2-176.90109.5M1M1-K20 WeakPolarHBondContact CE-O 3.43Å
21E38.9Very low37.6Very low187 Ų187120 Ų12087%0.87475%0.746SS**  trans-66.9162.2179-62.9-150.1162.200113.8
22S41Very low37Very low95 Ų95120.2 Ų120.266%0.66475%0.745SS**  trans-47.8147.8-167.553.90000118.5
23S33.2Very low36.6Very low111 Ų111121.1 Ų121.178%0.77675%0.748SS**  -166.7125.711740.70000113.1
24S39.4Very low36.4Very low105 Ų105124.5 Ų124.573%0.73475%0.746SS**  trans18.4125.4148.8580000121
25S33.6Very low35.8Very low118 Ų118126.8 Ų126.883%0.82575%0.752SS**  171.6150.5101.548.60000112.6
26S42.2Very low35.4Very low106 Ų106126.4 Ų126.474%0.74176%0.76SS**  trans-41.5139.9-177.752.40000117.1
27C28.1Very low35.5Very low111 Ų111128 Ų12875%0.7576%0.761SS**  trans-165.9122.9134.9-95.90000110.3H29C27-H29 PolarHBondContact O-N 3.3Å
28A37.9Very low35.2Very low108 Ų108132.4 Ų132.489%0.89378%0.776SS**  trans-68.7109.2170.100000109.3
29H31.8Very low35.1Very low153 Ų153134.6 Ų134.671%0.70878%0.782SS**  trans-128.3130.2164.1-73.948.2000106.2C27 S31C27-H29 PolarHBondContact O-N 3.3Å; H29-S31 PolarHBondContact O-N 3.07Å; H29-S31 VanDerWaalsContact O-N 3.08Å
30S36.1Very low35.5Very low118 Ų118133.1 Ų133.183%0.82577%0.77SS**  trans-33.9114.6176.9-580000110.9P32S30-P32 VanDerWaalsContact O-CD 3.27Å; S30-P32 WeakPolarHBondContact O-CD 3.11Å
31S34Very low35.8Very low108 Ų108131.1 Ų131.176%0.75576%0.763SS**  trans-52.3115.5-177.9-59.30000108.7H29 Q33H29-S31 PolarHBondContact O-N 3.07Å; H29-S31 VanDerWaalsContact O-N 3.08Å; S31-Q33 PolarHBondContact O-N 3.34Å; S31-Q33 VanDerWaalsContact O-N 3.14Å
32P33.2Very low36.4Very low108 Ų108127.8 Ų127.870%0.70175%0.746SS**  trans-60.3124.5166.4-7.321.2000104.6S30 I34S30-P32 VanDerWaalsContact O-CD 3.27Å; S30-P32 WeakPolarHBondContact O-CD 3.11Å; P32-I34 PolarHBondContact O-N 3.14Å
33Q35.1Very low37.8Very low174 Ų174126.1 Ų126.181%0.81373%0.733SS**  trans-57.995.3169.2-67.8-74.812.500106.5S31 K35S31-Q33 PolarHBondContact O-N 3.34Å; S31-Q33 VanDerWaalsContact O-N 3.14Å; Q33-K35 PolarHBondContact O-N 3.07Å
34I37.5Very low39.7Very low145 Ų145123 Ų12374%0.74471%0.707SS**  trans-6695.7172.2-60.8175.1000103.5P32P32-I34 PolarHBondContact O-N 3.14Å
35K26.7Very low41.3Very low176 Ų176120.4 Ų120.477%0.76569%0.685SS**PPolyproline II helixtrans-53.9131.2170.5-54.4-171.9-174.6-175.80105.3Q33 V37Q33-K35 PolarHBondContact O-N 3.07Å; K35-V37 PolarHBondContact O-N 3.35Å
36P32.1Very low43.2Very low119 Ų119119 Ų11977%0.77367%0.668SS**PPolyproline II helixtrans-49121.3-178.418.4-30000107.3R38P36-R38 PolarHBondContact O-N 3.26Å
37V38.3Very low45.1Very low127 Ų127115.7 Ų115.777%0.7764%0.643SS**PPolyproline II helixtrans-51.5119.4175.2-153.90000104K35 S39K35-V37 PolarHBondContact O-N 3.35Å; V37-S39 PolarHBondContact O-N 3.47Å
38R35.2Very low47.8Very low229 Ų229110.4 Ų110.486%0.86461%0.607SS**  trans-42.6116.7-176.5-78.6178.7167.3148.9-4.8106.3P36 V40P36-R38 PolarHBondContact O-N 3.26Å; R38-V40 PolarHBondContact O-N 3.3Å
39S35.1Very low49.9Very low111 Ų111106.1 Ų106.178%0.77657%0.569SS**  trans-46.7111174.9-179.80000105.1V37 H41V37-S39 PolarHBondContact O-N 3.47Å; S39-H41 PolarHBondContact O-N 3.15Å
40V40.8Very low52.4Low98 Ų98101.9 Ų101.959%0.59455%0.551SS**  trans-70.393179.3-170.30000103.1R38 F42R38-V40 PolarHBondContact O-N 3.3Å; V40-F42 HydrophobicContact CB-CD2 4.24Å; V40-F42 HydrophobicContact CB-CE2 3.75Å; V40-F42 HydrophobicContact CB-CZ 4.11Å; V40-F42 HydrophobicContact CG1-CD1 4.27Å; V40-F42 HydrophobicContact CG1-CD2 4Å; V40-F42 HydrophobicContact CG1-CE1 3.8Å; V40-F42 HydrophobicContact CG1-CE2 3.5Å; V40-F42 HydrophobicContact CG1-CG 4.37Å; V40-F42 HydrophobicContact CG1-CZ 3.4Å; V40-F42 WeakPolarHBondContact O-CD2 3.47Å; V40-F42 PolarHBondContact O-N 3.47Å
41H41.4Very low54.9Low146 Ų14698.1 Ų98.168%0.67652%0.519SS*.  trans-73.985.7176.8-173.965.9000105.5S39S39-H41 PolarHBondContact O-N 3.15Å
42F51.9Low57.5Low118 Ų11893 Ų9352%0.51848%0.483SS..  trans-63.2129.5162.9-64.2-75.7000106.4V40 N44 V47V40-F42 HydrophobicContact CB-CD2 4.24Å; V40-F42 HydrophobicContact CB-CE2 3.75Å; V40-F42 HydrophobicContact CB-CZ 4.11Å; V40-F42 HydrophobicContact CG1-CD1 4.27Å; V40-F42 HydrophobicContact CG1-CD2 4Å; V40-F42 HydrophobicContact CG1-CE1 3.8Å; V40-F42 HydrophobicContact CG1-CE2 3.5Å; V40-F42 HydrophobicContact CG1-CG 4.37Å; V40-F42 HydrophobicContact CG1-CZ 3.4Å; V40-F42 WeakPolarHBondContact O-CD2 3.47Å; V40-F42 PolarHBondContact O-N 3.47Å; F42-N44 PolarHBondContact O-N 3.27Å; F42-V47 HydrophobicContact CB-CG2 3.61Å
43P70.7Confident60Low60 Ų6093 Ų9339%0.3947%0.469SS..  trans-47.3136.1170-22.730.3000109D45 I46 V47P43-D45 PolarHBondContact O-N 3.24Å; P43-I46 HydrophobicContact CB-CG1 4.27Å; P43-I46 HydrophobicContact CG-CD1 3.97Å; P43-I46 HydrophobicContact CG-CG1 4.23Å; P43-I46 PolarHBondContact O-N 2.97Å; P43-V47 PolarHBondContact O-N 3.19Å
44N73.1Confident62.4Low44 Ų4490 Ų9024%0.23546%0.455CS..Hα-helixtrans-55.1-27.8-178.3-67-40.8000111.3F42 F48 F63 R68 V69F42-N44 PolarHBondContact O-N 3.27Å; N44-F48 WeakPolarHBondContact O-CB 3.42Å; N44-F48 PolarHBondContact O-N 2.89Å; N44-F63 HydrophobicContact CB-CE1 4.2Å; N44-R68 HydrophobicContact CB-CB 4.43Å; N44-R68 WeakPolarHBondContact CB-O 3.32Å; N44-R68 PolarHBondContact ND2-O 3.28Å; N44-R68 VanDerWaalsContact ND2-O 3.14Å; N44-V69 HydrophobicContact CB-CG2 3.69Å
45D72.4Confident64.8Low51 Ų5183.9 Ų83.927%0.27343%0.428SS..Hα-helixtrans-63.9-43.2177.7-50-55.5000112.4P43 F48 Q49 V69 T73 Y75P43-D45 PolarHBondContact O-N 3.24Å; D45-F48 PolarHBondContact O-N 3.45Å; D45-Q49 WeakPolarHBondContact O-CB 3.48Å; D45-Q49 PolarHBondContact O-N 3.13Å; D45-V69 WeakPolarHBondContact OD1-CG1 3.48Å; D45-T73 HydrophobicContact CB-CG2 3.93Å; D45-T73 PolarHBondContact OD1-OG1 2.93Å; D45-Y75 HydrophobicContact CB-CE1 4.25Å; D45-Y75 WeakPolarHBondContact O-CE1 3.43Å
46I74.6Confident67.7Low90 Ų9077.9 Ų77.946%0.46240%0.402SS..Hα-helixtrans-65.2-44.3178.1-60.9-173.7000110.6P43 F48 Q49 D50P43-I46 HydrophobicContact CB-CG1 4.27Å; P43-I46 HydrophobicContact CG-CD1 3.97Å; P43-I46 HydrophobicContact CG-CG1 4.23Å; P43-I46 PolarHBondContact O-N 2.97Å; I46-F48 VanDerWaalsContact C-N 3.31Å; I46-F48 PolarHBondContact O-N 3.26Å; I46-Q49 PolarHBondContact O-N 2.64Å; I46-D50 PolarHBondContact O-N 3.41Å
47V81.9Confident70.5Confident35 Ų3575.4 Ų75.421%0.21238%0.383CS..Hα-helixtrans-67-37.6179.7-179.90000110.7F42 P43 D50 Y51 F63F42-V47 HydrophobicContact CB-CG2 3.61Å; P43-V47 PolarHBondContact O-N 3.19Å; V47-D50 PolarHBondContact O-N 3.45Å; V47-Y51 HydrophobicContact CG1-CD2 4.26Å; V47-Y51 HydrophobicContact CG1-CE1 4.38Å; V47-Y51 HydrophobicContact CG1-CE2 3.45Å; V47-Y51 VanDerWaalsContact CG1-CE2 3.45Å; V47-Y51 WeakPolarHBondContact CG1-OH 3.27Å; V47-Y51 VanDerWaalsContact O-CD2 3.27Å; V47-Y51 WeakPolarHBondContact O-CD2 3.2Å; V47-Y51 PolarHBondContact O-N 2.89Å; V47-F63 HydrophobicContact CB-CE1 4.43Å; V47-F63 HydrophobicContact CB-CZ 4.49Å; V47-F63 HydrophobicContact CG1-CE1 4.31Å; V47-F63 HydrophobicContact CG1-CZ 3.91Å
48F84.3Confident72.9Confident0 Ų076.6 Ų76.60%038%0.384CS..Hα-helixtrans-68-40.7176.9-179.3-107.4000112.2N44 D45 I46 D50 Y51 V52 I60 F63 I64 V69 L71 Y75 A81 L97N44-F48 WeakPolarHBondContact O-CB 3.42Å; N44-F48 PolarHBondContact O-N 2.89Å; D45-F48 PolarHBondContact O-N 3.45Å; I46-F48 VanDerWaalsContact C-N 3.31Å; I46-F48 PolarHBondContact O-N 3.26Å; F48-D50 VanDerWaalsContact C-N 3.3Å; F48-D50 PolarHBondContact O-N 2.87Å; F48-Y51 PolarHBondContact O-N 3.34Å; F48-V52 HydrophobicContact CD1-CG2 4.34Å; F48-V52 HydrophobicContact CE1-CG2 4.02Å; F48-V52 HydrophobicContact CZ-CG2 4.12Å; F48-V52 WeakPolarHBondContact O-CG2 3.4Å; F48-V52 PolarHBondContact O-N 3.15Å; F48-I60 HydrophobicContact CE2-CB 4.25Å; F48-I60 HydrophobicContact CE2-CG2 3.75Å; F48-I60 HydrophobicContact CZ-CG2 4.02Å; F48-F63 HydrophobicContact CB-CD1 4.02Å; F48-F63 HydrophobicContact CB-CE1 4.49Å; F48-F63 HydrophobicContact CD2-CB 3.57Å; F48-F63 HydrophobicContact CD2-CD1 4.12Å; F48-F63 HydrophobicContact CD2-CG 4.05Å; F48-F63 HydrophobicContact CE2-CB 3.96Å; F48-F63 HydrophobicContact CG-CD1 4.49Å; F48-I64 HydrophobicContact CE2-CD1 4.26Å; F48-I64 HydrophobicContact CE2-CG1 3.85Å; F48-I64 HydrophobicContact CZ-CD1 4.09Å; F48-I64 HydrophobicContact CZ-CG1 3.89Å; F48-V69 HydrophobicContact CB-CG1 4.37Å; F48-V69 HydrophobicContact CB-CG2 3.81Å; F48-V69 HydrophobicContact CD1-CB 4.31Å; F48-V69 HydrophobicContact CD1-CG1 3.6Å; F48-V69 HydrophobicContact CD1-CG2 4.47Å; F48-V69 HydrophobicContact CE1-CG1 4.02Å; F48-V69 HydrophobicContact CG-CB 4.29Å; F48-V69 HydrophobicContact CG-CG1 4.03Å; F48-V69 HydrophobicContact CG-CG2 4.08Å; F48-L71 HydrophobicContact CE1-CD2 4.3Å; F48-L71 HydrophobicContact CZ-CD2 4.03Å; F48-Y75 WeakPolarHBondContact CD1-OH 3.49Å; F48-A81 HydrophobicContact CE1-CB 3.76Å; F48-L97 HydrophobicContact CZ-CD2 3.94Å
49Q82.3Confident75.4Confident19 Ų1971 Ų719%0.08936%0.364CS..Hα-helixtrans-56.8-45174.2-168.4-169.115.500111.6D45 I46 Y51 V52 R53 Y75 H76 E84D45-Q49 WeakPolarHBondContact O-CB 3.48Å; D45-Q49 PolarHBondContact O-N 3.13Å; I46-Q49 PolarHBondContact O-N 2.64Å; Q49-Y51 VanDerWaalsContact C-N 3.32Å; Q49-Y51 PolarHBondContact O-N 2.93Å; Q49-V52 PolarHBondContact O-N 3.1Å; Q49-R53 PolarHBondContact O-N 3.33Å; Q49-Y75 HydrophobicContact CB-CD1 4.23Å; Q49-Y75 HydrophobicContact CB-CE1 3.79Å; Q49-Y75 HydrophobicContact CG-CD1 4.28Å; Q49-Y75 HydrophobicContact CG-CD2 4.35Å; Q49-Y75 HydrophobicContact CG-CE1 4.2Å; Q49-Y75 HydrophobicContact CG-CE2 4.28Å; Q49-Y75 HydrophobicContact CG-CG 4.37Å; Q49-H76 PolarHBondContact NE2-NE2 3.37Å; Q49-H76 VanDerWaalsContact NE2-NE2 3.13Å; Q49-E84 PolarHBondContact NE2-OE2 2.84Å
50D84.2Confident77.9Confident64 Ų6465.8 Ų65.834%0.34233%0.327SS..Hα-helixtrans-60.1-41.2178.1-173.649.2000112.1I46 V47 F48 R53 Q54I46-D50 PolarHBondContact O-N 3.41Å; V47-D50 PolarHBondContact O-N 3.45Å; F48-D50 VanDerWaalsContact C-N 3.3Å; F48-D50 PolarHBondContact O-N 2.87Å; D50-R53 PolarHBondContact O-N 3.44Å; D50-Q54 WeakPolarHBondContact O-CB 3.17Å; D50-Q54 VanDerWaalsContact O-CG 3.32Å; D50-Q54 WeakPolarHBondContact O-CG 3.46Å; D50-Q54 PolarHBondContact O-N 2.9Å; D50-Q54 PolarHBondContact OD1-NE2 3.31Å; D50-Q54 PolarHBondContact OD2-NE2 3.48Å
51Y88.3Confident80.1Confident39 Ų3961.9 Ų61.915%0.15331%0.306CS..Hα-helixtrans-66.1-38.4174.8-60.9-32.5000113.4V47 F48 Q49 Q54 G55 E56 R59 F63V47-Y51 HydrophobicContact CG1-CD2 4.26Å; V47-Y51 HydrophobicContact CG1-CE1 4.38Å; V47-Y51 HydrophobicContact CG1-CE2 3.45Å; V47-Y51 VanDerWaalsContact CG1-CE2 3.45Å; V47-Y51 WeakPolarHBondContact CG1-OH 3.27Å; V47-Y51 VanDerWaalsContact O-CD2 3.27Å; V47-Y51 WeakPolarHBondContact O-CD2 3.2Å; V47-Y51 PolarHBondContact O-N 2.89Å; F48-Y51 PolarHBondContact O-N 3.34Å; Q49-Y51 VanDerWaalsContact C-N 3.32Å; Q49-Y51 PolarHBondContact O-N 2.93Å; Y51-Q54 PolarHBondContact O-N 3.41Å; Y51-G55 PolarHBondContact O-N 2.97Å; Y51-E56 WeakPolarHBondContact CD1-OE1 3.16Å; Y51-E56 PolarHBondContact O-N 3.11Å; Y51-R59 HydrophobicContact CD1-CB 4.22Å; Y51-R59 HydrophobicContact CD2-CB 3.74Å; Y51-R59 HydrophobicContact CE2-CB 4.04Å; Y51-R59 HydrophobicContact CG-CB 3.84Å; Y51-F63 HydrophobicContact CD2-CD2 4.31Å; Y51-F63 HydrophobicContact CD2-CE2 4.19Å; Y51-F63 HydrophobicContact CE2-CD2 4.06Å; Y51-F63 AromaticContact CE2-CE2 3.51Å; Y51-F63 HydrophobicContact CE2-CE2 3.51Å; Y51-F63 AromaticContact CE2-CZ 3.77Å; Y51-F63 HydrophobicContact CE2-CZ 3.77Å
52V88.4Confident82.3Confident0 Ų059 Ų590%030%0.295CS..Hα-helixtrans-62.1-48.5174.8173.90000110.2F48 Q49 Q54 G55 I60 E84 A85F48-V52 HydrophobicContact CD1-CG2 4.34Å; F48-V52 HydrophobicContact CE1-CG2 4.02Å; F48-V52 HydrophobicContact CZ-CG2 4.12Å; F48-V52 WeakPolarHBondContact O-CG2 3.4Å; F48-V52 PolarHBondContact O-N 3.15Å; Q49-V52 PolarHBondContact O-N 3.1Å; V52-Q54 VanDerWaalsContact C-N 3.3Å; V52-Q54 PolarHBondContact O-N 3.39Å; V52-G55 PolarHBondContact O-N 2.74Å; V52-I60 HydrophobicContact CB-CD1 4.48Å; V52-I60 HydrophobicContact CG2-CD1 4.1Å; V52-I60 HydrophobicContact CG2-CG1 4.13Å; V52-E84 HydrophobicContact CG1-CB 4.03Å; V52-E84 HydrophobicContact CG1-CG 4.1Å; V52-A85 HydrophobicContact CG1-CB 3.88Å
53R84.8Confident83.8Confident108 Ų10854.5 Ų54.541%0.40828%0.275SS..Hα-helixtrans-59.7-39.4177.9-174.4179.2-63.2117.92.3113Q49 D50 G55 E84Q49-R53 PolarHBondContact O-N 3.33Å; D50-R53 PolarHBondContact O-N 3.44Å; R53-G55 VanDerWaalsContact C-N 3.3Å; R53-E84 HydrophobicContact CB-CG 4.36Å; R53-E84 IonicContact CZ-OE1 3.27Å; R53-E84 VanDerWaalsContact CZ-OE1 3.27Å; R53-E84 IonicContact NE-OE1 2.82Å; R53-E84 PolarHBondContact NE-OE1 3.24Å; R53-E84 VanDerWaalsContact NH2-CD 3.28Å; R53-E84 IonicContact NH2-OE1 2.93Å; R53-E84 PolarHBondContact NH2-OE1 3.28Å; R53-E84 IonicContact NH2-OE2 3.07Å; R53-E84 PolarHBondContact NH2-OE2 3.22Å
54Q86.5Confident84.6Confident112 Ų11252.7 Ų52.752%0.52326%0.262SS..Hα-helixtrans-79.6-10.8177.8-69.5178.447.700113.6D50 Y51 V52 E56D50-Q54 WeakPolarHBondContact O-CB 3.17Å; D50-Q54 VanDerWaalsContact O-CG 3.32Å; D50-Q54 WeakPolarHBondContact O-CG 3.46Å; D50-Q54 PolarHBondContact O-N 2.9Å; D50-Q54 PolarHBondContact OD1-NE2 3.31Å; D50-Q54 PolarHBondContact OD2-NE2 3.48Å; Y51-Q54 PolarHBondContact O-N 3.41Å; V52-Q54 VanDerWaalsContact C-N 3.3Å; V52-Q54 PolarHBondContact O-N 3.39Å; Q54-E56 HydrophobicContact CB-CG 4.05Å; Q54-E56 PolarHBondContact OE1-OE1 2.67Å
55G87.3Confident85.2Confident16 Ų1660.6 Ų60.617%0.16529%0.289CS..THydrogen-bonded Turntrans72.125.7-177.400000114.8Y51 V52 R53 L57 C93Y51-G55 PolarHBondContact O-N 2.97Å; V52-G55 PolarHBondContact O-N 2.74Å; R53-G55 VanDerWaalsContact C-N 3.3Å; G55-L57 VanDerWaalsContact C-N 3.31Å; G55-L57 PolarHBondContact O-N 3.35Å; G55-C93 VanDerWaalsContact CA-SG 3.5Å
56E88.9Confident85.8Confident49 Ų4964.2 Ų64.223%0.22930%0.302CS..  trans-7774.2-177.6-68.4-163-10300112.2Y51 Q54 D58 R59 I60Y51-E56 WeakPolarHBondContact CD1-OE1 3.16Å; Y51-E56 PolarHBondContact O-N 3.11Å; Q54-E56 HydrophobicContact CB-CG 4.05Å; Q54-E56 PolarHBondContact OE1-OE1 2.67Å; E56-D58 VanDerWaalsContact C-N 3.29Å; E56-D58 PolarHBondContact O-N 3.03Å; E56-D58 VanDerWaalsContact O-N 3.13Å; E56-R59 HydrophobicContact CB-CB 4.09Å; E56-R59 HydrophobicContact CB-CG 4.25Å; E56-R59 VanDerWaalsContact CD-NH1 3.29Å; E56-R59 PolarHBondContact O-N 2.98Å; E56-R59 IonicContact OE1-CZ 3.54Å; E56-R59 IonicContact OE1-NE 3.91Å; E56-R59 IonicContact OE1-NH1 2.73Å; E56-R59 PolarHBondContact OE1-NH1 3.46Å; E56-R59 WeakPolarHBondContact OE2-CD 3.3Å; E56-R59 IonicContact OE2-CZ 2.97Å; E56-R59 IonicContact OE2-NE 2.95Å; E56-R59 PolarHBondContact OE2-NE 2.88Å; E56-R59 IonicContact OE2-NH1 3.02Å; E56-R59 PolarHBondContact OE2-NH1 3.35Å; E56-R59 IonicContact OE2-NH2 3.72Å; E56-I60 WeakPolarHBondContact O-CG1 3.42Å; E56-I60 PolarHBondContact O-N 3.39Å
57L89.8Confident85.8Confident68 Ų6870.9 Ų70.936%0.35632%0.321SS..Hα-helixtrans-48-44.1-174.5-62.1176.6000114.2G55 R59 I60 G61 E92 C93 L96G55-L57 VanDerWaalsContact C-N 3.31Å; G55-L57 PolarHBondContact O-N 3.35Å; L57-R59 PolarHBondContact O-N 3.38Å; L57-I60 PolarHBondContact O-N 3.47Å; L57-G61 PolarHBondContact O-N 2.9Å; L57-E92 HydrophobicContact CD1-CB 4.04Å; L57-E92 HydrophobicContact CD2-CB 4.33Å; L57-C93 HydrophobicContact CD2-CB 4.25Å; L57-C93 WeakPolarHBondContact CD2-SG 3.44Å; L57-L96 HydrophobicContact CB-CD2 4.18Å; L57-L96 HydrophobicContact CD2-CB 4.34Å; L57-L96 HydrophobicContact CD2-CD2 3.85Å; L57-L96 WeakPolarHBondContact O-CD2 3.38Å
58D89.3Confident85.3Confident151 Ų15174.9 Ų74.981%0.80733%0.333SS*.Hα-helixtrans-64.4-40.9-179.5-71.4-29.2000112.2E56 L62E56-D58 VanDerWaalsContact C-N 3.29Å; E56-D58 PolarHBondContact O-N 3.03Å; E56-D58 VanDerWaalsContact O-N 3.13Å; D58-L62 VanDerWaalsContact O-CB 3.29Å; D58-L62 WeakPolarHBondContact O-CB 3.37Å; D58-L62 PolarHBondContact O-N 3.24Å
59R87.9Confident84.8Confident113 Ų11375.8 Ų75.843%0.42634%0.339SS..Hα-helixtrans-71.6-42.3178.9-65.2-163.7178.5158.6-0.9111Y51 E56 L57 L62 F63Y51-R59 HydrophobicContact CD1-CB 4.22Å; Y51-R59 HydrophobicContact CD2-CB 3.74Å; Y51-R59 HydrophobicContact CE2-CB 4.04Å; Y51-R59 HydrophobicContact CG-CB 3.84Å; E56-R59 HydrophobicContact CB-CB 4.09Å; E56-R59 HydrophobicContact CB-CG 4.25Å; E56-R59 VanDerWaalsContact CD-NH1 3.29Å; E56-R59 PolarHBondContact O-N 2.98Å; E56-R59 IonicContact OE1-CZ 3.54Å; E56-R59 IonicContact OE1-NE 3.91Å; E56-R59 IonicContact OE1-NH1 2.73Å; E56-R59 PolarHBondContact OE1-NH1 3.46Å; E56-R59 WeakPolarHBondContact OE2-CD 3.3Å; E56-R59 IonicContact OE2-CZ 2.97Å; E56-R59 IonicContact OE2-NE 2.95Å; E56-R59 PolarHBondContact OE2-NE 2.88Å; E56-R59 IonicContact OE2-NH1 3.02Å; E56-R59 PolarHBondContact OE2-NH1 3.35Å; E56-R59 IonicContact OE2-NH2 3.72Å; L57-R59 PolarHBondContact O-N 3.38Å; R59-L62 PolarHBondContact O-N 3.09Å; R59-F63 WeakPolarHBondContact O-CD2 3.37Å; R59-F63 PolarHBondContact O-N 3.06Å
60I87.6Confident84.6Confident0 Ų077.7 Ų77.70%035%0.354CS..Hα-helixtrans-56.4-54.1174.3-64.4166.3000109.4F48 V52 E56 L57 L62 F63 I64 L96 L97F48-I60 HydrophobicContact CE2-CB 4.25Å; F48-I60 HydrophobicContact CE2-CG2 3.75Å; F48-I60 HydrophobicContact CZ-CG2 4.02Å; V52-I60 HydrophobicContact CB-CD1 4.48Å; V52-I60 HydrophobicContact CG2-CD1 4.1Å; V52-I60 HydrophobicContact CG2-CG1 4.13Å; E56-I60 WeakPolarHBondContact O-CG1 3.42Å; E56-I60 PolarHBondContact O-N 3.39Å; L57-I60 PolarHBondContact O-N 3.47Å; I60-L62 VanDerWaalsContact C-N 3.29Å; I60-L62 PolarHBondContact O-N 3.36Å; I60-F63 PolarHBondContact O-N 3.15Å; I60-F63 VanDerWaalsContact O-N 3.15Å; I60-I64 HydrophobicContact CG2-CD1 3.77Å; I60-I64 WeakPolarHBondContact O-CG1 3.47Å; I60-I64 PolarHBondContact O-N 3.17Å; I60-I64 VanDerWaalsContact O-N 3.08Å; I60-L96 HydrophobicContact CB-CD2 3.93Å; I60-L96 HydrophobicContact CG2-CD2 3.68Å; I60-L96 HydrophobicContact CG2-CG 4.44Å; I60-L97 HydrophobicContact CG2-CD2 3.91Å
61G87.1Confident84.3Confident16 Ų1675.8 Ų75.817%0.16534%0.343CS..Hα-helixtrans-59.3-38.317900000112.9L57 R65L57-G61 PolarHBondContact O-N 2.9Å; G61-R65 WeakPolarHBondContact O-CB 3.33Å; G61-R65 PolarHBondContact O-N 3.47Å
62L86.8Confident83.5Confident85 Ų8580.3 Ų80.345%0.44537%0.366SS..Hα-helixtrans-65.2-41.8176.4-175.464.5000112.7D58 R59 I60 K66D58-L62 VanDerWaalsContact O-CB 3.29Å; D58-L62 WeakPolarHBondContact O-CB 3.37Å; D58-L62 PolarHBondContact O-N 3.24Å; R59-L62 PolarHBondContact O-N 3.09Å; I60-L62 VanDerWaalsContact C-N 3.29Å; I60-L62 PolarHBondContact O-N 3.36Å; L62-K66 HydrophobicContact CD1-CD 4.1Å; L62-K66 HydrophobicContact CD1-CG 4.38Å; L62-K66 HydrophobicContact CG-CD 4.29Å; L62-K66 WeakPolarHBondContact O-CB 2.98Å; L62-K66 WeakPolarHBondContact O-CG 3.19Å; L62-K66 PolarHBondContact O-N 2.92Å
63F84.5Confident82.7Confident24 Ų2481.8 Ų81.811%0.10538%0.375CS..Hα-helixtrans-65.8-46.1179.7-95.9-116.8000111.8N44 V47 F48 Y51 R59 I60 K66 R67 R68 V69N44-F63 HydrophobicContact CB-CE1 4.2Å; V47-F63 HydrophobicContact CB-CE1 4.43Å; V47-F63 HydrophobicContact CB-CZ 4.49Å; V47-F63 HydrophobicContact CG1-CE1 4.31Å; V47-F63 HydrophobicContact CG1-CZ 3.91Å; F48-F63 HydrophobicContact CB-CD1 4.02Å; F48-F63 HydrophobicContact CB-CE1 4.49Å; F48-F63 HydrophobicContact CD2-CB 3.57Å; F48-F63 HydrophobicContact CD2-CD1 4.12Å; F48-F63 HydrophobicContact CD2-CG 4.05Å; F48-F63 HydrophobicContact CE2-CB 3.96Å; F48-F63 HydrophobicContact CG-CD1 4.49Å; Y51-F63 HydrophobicContact CD2-CD2 4.31Å; Y51-F63 HydrophobicContact CD2-CE2 4.19Å; Y51-F63 HydrophobicContact CE2-CD2 4.06Å; Y51-F63 AromaticContact CE2-CE2 3.51Å; Y51-F63 HydrophobicContact CE2-CE2 3.51Å; Y51-F63 AromaticContact CE2-CZ 3.77Å; Y51-F63 HydrophobicContact CE2-CZ 3.77Å; R59-F63 WeakPolarHBondContact O-CD2 3.37Å; R59-F63 PolarHBondContact O-N 3.06Å; I60-F63 PolarHBondContact O-N 3.15Å; I60-F63 VanDerWaalsContact O-N 3.15Å; F63-K66 PolarHBondContact O-N 2.96Å; F63-R67 PolarHBondContact O-N 2.94Å; F63-R68 HydrophobicContact CD1-CB 4.26Å; F63-R68 PolarHBondContact O-N 3.34Å; F63-R68 VanDerWaalsContact O-N 3.09Å; F63-V69 HydrophobicContact CD1-CG2 3.99Å
64I86.3Confident82.1Confident22 Ų2281.6 Ų81.611%0.11338%0.381CS..Hα-helixtrans-62.6-48.8176.5-63.2168.5000110.3F48 I60 K66 R67 L71 L97 H100F48-I64 HydrophobicContact CE2-CD1 4.26Å; F48-I64 HydrophobicContact CE2-CG1 3.85Å; F48-I64 HydrophobicContact CZ-CD1 4.09Å; F48-I64 HydrophobicContact CZ-CG1 3.89Å; I60-I64 HydrophobicContact CG2-CD1 3.77Å; I60-I64 WeakPolarHBondContact O-CG1 3.47Å; I60-I64 PolarHBondContact O-N 3.17Å; I60-I64 VanDerWaalsContact O-N 3.08Å; I64-K66 VanDerWaalsContact C-N 3.27Å; I64-K66 PolarHBondContact O-N 3.25Å; I64-R67 WeakPolarHBondContact O-CA 3.39Å; I64-R67 PolarHBondContact O-N 3.21Å; I64-L71 HydrophobicContact CD1-CD2 3.89Å; I64-L71 HydrophobicContact CG1-CD2 3.96Å; I64-L97 HydrophobicContact CD1-CD2 3.93Å; I64-H100 HydrophobicContact CD1-CB 4.08Å; I64-H100 HydrophobicContact CG2-CB 3.69Å
65R85.4Confident81.5Confident210 Ų21077.9 Ų77.979%0.79236%0.363SS*.Hα-helixtrans-62.2-34.8-178.6-174.9170.7-178.197.30.1112.6G61 R67G61-R65 WeakPolarHBondContact O-CB 3.33Å; G61-R65 PolarHBondContact O-N 3.47Å; R65-R67 PolarHBondContact O-N 3.45Å
66K85.6Confident80.8Confident127 Ų12781.8 Ų81.855%0.55238%0.376SS*.THydrogen-bonded Turntrans-80.83.9174.9-72-176174.8177.10113.3L62 F63 I64 R68L62-K66 HydrophobicContact CD1-CD 4.1Å; L62-K66 HydrophobicContact CD1-CG 4.38Å; L62-K66 HydrophobicContact CG-CD 4.29Å; L62-K66 WeakPolarHBondContact O-CB 2.98Å; L62-K66 WeakPolarHBondContact O-CG 3.19Å; L62-K66 PolarHBondContact O-N 2.92Å; F63-K66 PolarHBondContact O-N 2.96Å; I64-K66 VanDerWaalsContact C-N 3.27Å; I64-K66 PolarHBondContact O-N 3.25Å; K66-R68 HydrophobicContact CB-CG 3.63Å; K66-R68 PolarHBondContact O-N 3.13Å
67R75.6Confident80.1Confident230 Ų23082.4 Ų82.487%0.86839%0.386SS*.THydrogen-bonded Turntrans48.341.1-177-64.3-177.3176.5-112.40.8112.3F63 I64 R65 V69F63-R67 PolarHBondContact O-N 2.94Å; I64-R67 WeakPolarHBondContact O-CA 3.39Å; I64-R67 PolarHBondContact O-N 3.21Å; R65-R67 PolarHBondContact O-N 3.45Å; R67-V69 VanDerWaalsContact C-N 3.34Å
68R71.1Confident79.5Confident119 Ų11979.5 Ų79.545%0.44937%0.372SS..  trans-85-12.9-177.7-59.9-171.881156.16.8113N44 F63 K66N44-R68 HydrophobicContact CB-CB 4.43Å; N44-R68 WeakPolarHBondContact CB-O 3.32Å; N44-R68 PolarHBondContact ND2-O 3.28Å; N44-R68 VanDerWaalsContact ND2-O 3.14Å; F63-R68 HydrophobicContact CD1-CB 4.26Å; F63-R68 PolarHBondContact O-N 3.34Å; F63-R68 VanDerWaalsContact O-N 3.09Å; K66-R68 HydrophobicContact CB-CG 3.63Å; K66-R68 PolarHBondContact O-N 3.13Å
69V74Confident79.3Confident20 Ų2073.2 Ų73.212%0.12134%0.338CS..SBendtrans-146.6147.9-174.1175.30000109.3N44 D45 F48 F63 R67N44-V69 HydrophobicContact CB-CG2 3.69Å; D45-V69 WeakPolarHBondContact OD1-CG1 3.48Å; F48-V69 HydrophobicContact CB-CG1 4.37Å; F48-V69 HydrophobicContact CB-CG2 3.81Å; F48-V69 HydrophobicContact CD1-CB 4.31Å; F48-V69 HydrophobicContact CD1-CG1 3.6Å; F48-V69 HydrophobicContact CD1-CG2 4.47Å; F48-V69 HydrophobicContact CE1-CG1 4.02Å; F48-V69 HydrophobicContact CG-CB 4.29Å; F48-V69 HydrophobicContact CG-CG1 4.03Å; F48-V69 HydrophobicContact CG-CG2 4.08Å; F63-V69 HydrophobicContact CD1-CG2 3.99Å; R67-V69 VanDerWaalsContact C-N 3.34Å
70S76.4Confident79.3Confident59 Ų5967.9 Ų67.941%0.41332%0.319SS..  trans-89.5138.4167.6-169.30000109.8E72 T73S70-E72 PolarHBondContact O-N 2.96Å; S70-E72 PolarHBondContact OG-N 3.16Å; S70-T73 WeakPolarHBondContact CB-OG1 3.35Å; S70-T73 VanDerWaalsContact O-CB 3.3Å; S70-T73 WeakPolarHBondContact O-CB 3.43Å; S70-T73 PolarHBondContact O-N 3.45Å; S70-T73 VanDerWaalsContact O-N 3.1Å; S70-T73 PolarHBondContact O-OG1 3Å
71L78.3Confident79.3Confident23 Ų2368 Ų6812%0.1232%0.319CS..THydrogen-bonded Turntrans-71.3-19.6175.7-65.4178.1000112.5F48 I64 T73 L97 H100 A102F48-L71 HydrophobicContact CE1-CD2 4.3Å; F48-L71 HydrophobicContact CZ-CD2 4.03Å; I64-L71 HydrophobicContact CD1-CD2 3.89Å; I64-L71 HydrophobicContact CG1-CD2 3.96Å; L71-T73 VanDerWaalsContact C-N 3.28Å; L71-L97 HydrophobicContact CD2-CD2 3.82Å; L71-H100 HydrophobicContact CD1-CB 3.95Å; L71-H100 WeakPolarHBondContact CD1-O 3.46Å; L71-A102 HydrophobicContact CB-CB 4.26Å; L71-A102 HydrophobicContact CD1-CB 4.08Å
72E72.1Confident79.6Confident134 Ų13467.3 Ų67.363%0.62631%0.312SS*.THydrogen-bonded Turntrans-84.3-0.7172.2-60.3172.7-172.900112.4S70 I74S70-E72 PolarHBondContact O-N 2.96Å; S70-E72 PolarHBondContact OG-N 3.16Å; E72-I74 PolarHBondContact O-N 3.16Å
73T70.9Confident79.8Confident31 Ų3163.2 Ų63.219%0.1929%0.29CS..  trans-59.1118.9176.4-63.70000108.7D45 S70 L71 Y75D45-T73 HydrophobicContact CB-CG2 3.93Å; D45-T73 PolarHBondContact OD1-OG1 2.93Å; S70-T73 WeakPolarHBondContact CB-OG1 3.35Å; S70-T73 VanDerWaalsContact O-CB 3.3Å; S70-T73 WeakPolarHBondContact O-CB 3.43Å; S70-T73 PolarHBondContact O-N 3.45Å; S70-T73 VanDerWaalsContact O-N 3.1Å; S70-T73 PolarHBondContact O-OG1 3Å; L71-T73 VanDerWaalsContact C-N 3.28Å; T73-Y75 HydrophobicContact CG2-CE1 4.34Å
74I72.9Confident80Confident104 Ų10462.9 Ų62.953%0.53329%0.289SS..  trans-83.3136.3173.259.3176000109.8E72 G78 M79E72-I74 PolarHBondContact O-N 3.16Å; I74-G78 WeakPolarHBondContact CG2-O 3.39Å; I74-M79 CarbonylContact C-O 3.57Å; I74-M79 WeakPolarHBondContact CA-O 3.49Å
75Y74.1Confident80.3Confident35 Ų3561.8 Ų61.814%0.13728%0.284CS..  trans-98.7-137.2176.8-54.7-69.1000109.9D45 F48 Q49 T73 M79 A81D45-Y75 HydrophobicContact CB-CE1 4.25Å; D45-Y75 WeakPolarHBondContact O-CE1 3.43Å; F48-Y75 WeakPolarHBondContact CD1-OH 3.49Å; Q49-Y75 HydrophobicContact CB-CD1 4.23Å; Q49-Y75 HydrophobicContact CB-CE1 3.79Å; Q49-Y75 HydrophobicContact CG-CD1 4.28Å; Q49-Y75 HydrophobicContact CG-CD2 4.35Å; Q49-Y75 HydrophobicContact CG-CE1 4.2Å; Q49-Y75 HydrophobicContact CG-CE2 4.28Å; Q49-Y75 HydrophobicContact CG-CG 4.37Å; T73-Y75 HydrophobicContact CG2-CE1 4.34Å; Y75-M79 WeakPolarHBondContact CD2-O 3.41Å; Y75-M79 PolarHBondContact N-O 2.89Å; Y75-A81 HydrophobicContact CE2-CB 4.23Å
76H72.1Confident80.7Confident97 Ų9751.8 Ų51.845%0.44925%0.246SC..G310 helixtrans-72.5141.6169.249.978.6000110.2Q49 G78 M79Q49-H76 PolarHBondContact NE2-NE2 3.37Å; Q49-H76 VanDerWaalsContact NE2-NE2 3.13Å; H76-G78 VanDerWaalsContact C-N 3.31Å; H76-G78 PolarHBondContact O-N 3.16Å; H76-M79 WeakPolarHBondContact CE1-CE 3.06Å; H76-M79 WeakPolarHBondContact ND1-CE 3.42Å; H76-M79 PolarHBondContact O-N 3.37Å
77S73.9Confident81Confident63 Ų6348.8 Ų48.844%0.44124%0.235SC..G310 helixtrans62.731.3176.4-48.60000114.4M79 E109S77-M79 PolarHBondContact O-N 2.65Å; S77-E109 VanDerWaalsContact CA-CD 3.43Å; S77-E109 WeakPolarHBondContact CA-OE1 3.3Å; S77-E109 WeakPolarHBondContact CA-OE2 3.39Å; S77-E109 WeakPolarHBondContact O-CB 3.47Å; S77-E109 PolarHBondContact O-N 3.12Å; S77-E109 VanDerWaalsContact O-N 3.09Å
78G78.4Confident81.6Confident6 Ų640 Ų406%0.06221%0.209CC..G310 helixtrans69.11.2-179.100000115.7I74 H76 A80 E109I74-G78 WeakPolarHBondContact CG2-O 3.39Å; H76-G78 VanDerWaalsContact C-N 3.31Å; H76-G78 PolarHBondContact O-N 3.16Å; G78-A80 PolarHBondContact O-N 3.32Å; G78-E109 PolarHBondContact N-OE1 3.21Å
79M83.4Confident82.6Confident20 Ų2035.9 Ų35.910%0.09920%0.204CC..  trans-69.2130.4-176.3-72.3-169.6-71.100111.9I74 Y75 H76 S77 H83 L87 D108 M117I74-M79 CarbonylContact C-O 3.57Å; I74-M79 WeakPolarHBondContact CA-O 3.49Å; Y75-M79 WeakPolarHBondContact CD2-O 3.41Å; Y75-M79 PolarHBondContact N-O 2.89Å; H76-M79 WeakPolarHBondContact CE1-CE 3.06Å; H76-M79 WeakPolarHBondContact ND1-CE 3.42Å; H76-M79 PolarHBondContact O-N 3.37Å; S77-M79 PolarHBondContact O-N 2.65Å; M79-H83 HydrophobicContact CB-CB 4.08Å; M79-H83 HydrophobicContact CG-CB 4.18Å; M79-H83 HydrophobicContact SD-CB 4.37Å; M79-L87 HydrophobicContact SD-CD1 3.91Å; M79-D108 HydrophobicContact CG-CB 4.05Å; M79-M117 HydrophobicContact CG-CE 4.03Å; M79-M117 HydrophobicContact SD-CE 3.72Å
80A88.5Confident83.4Confident1 Ų137.2 Ų37.21%0.00821%0.21CC..  trans-89.5174.4169.500000113.2G78 I82 H83 E84 Q106G78-A80 PolarHBondContact O-N 3.32Å; A80-I82 HydrophobicContact CB-CG2 4.37Å; A80-I82 PolarHBondContact O-N 3.32Å; A80-I82 VanDerWaalsContact O-N 3.16Å; A80-H83 PolarHBondContact N-ND1 2.86Å; A80-H83 VanDerWaalsContact N-ND1 3.17Å; A80-H83 WeakPolarHBondContact O-CB 3.43Å; A80-H83 PolarHBondContact O-N 2.94Å; A80-E84 PolarHBondContact O-N 3.22Å; A80-Q106 HydrophobicContact CB-CG 3.73Å
81A88.8Confident84.3Confident1 Ų136.2 Ų36.21%0.00820%0.2CC..Hα-helixtrans-58.1-32.1-179.100000114F48 Y75 H83 A85 L97F48-A81 HydrophobicContact CE1-CB 3.76Å; Y75-A81 HydrophobicContact CE2-CB 4.23Å; A81-H83 VanDerWaalsContact C-N 3.35Å; A81-A85 PolarHBondContact O-N 3.47Å; A81-A85 VanDerWaalsContact O-N 3.09Å; A81-L97 HydrophobicContact CB-CD1 4.11Å; A81-L97 HydrophobicContact CB-CD2 4.41Å; A81-L97 VanDerWaalsContact O-CD1 3.31Å; A81-L97 WeakPolarHBondContact O-CD1 3.37Å
82I92.1Very high85.1Confident2 Ų239.8 Ų39.81%0.0122%0.216CC..Hα-helixtrans-67.7-34.9178.2-169.4164000112.1A80 A85 V86 V98 A102 I104 Q106 P114A80-I82 HydrophobicContact CB-CG2 4.37Å; A80-I82 PolarHBondContact O-N 3.32Å; A80-I82 VanDerWaalsContact O-N 3.16Å; I82-A85 PolarHBondContact O-N 2.99Å; I82-V86 WeakPolarHBondContact O-CG2 3.36Å; I82-V86 PolarHBondContact O-N 3.39Å; I82-V98 HydrophobicContact CD1-CG2 3.79Å; I82-A102 HydrophobicContact CB-CB 4.4Å; I82-A102 HydrophobicContact CD1-CB 4.3Å; I82-I104 HydrophobicContact CD1-CG2 4.2Å; I82-Q106 HydrophobicContact CG2-CB 4.48Å; I82-P114 HydrophobicContact CB-CG 4.4Å; I82-P114 HydrophobicContact CD1-CB 4.41Å; I82-P114 HydrophobicContact CD1-CG 4.01Å; I82-P114 HydrophobicContact CG1-CB 4.2Å; I82-P114 HydrophobicContact CG1-CG 3.91Å; I82-P114 HydrophobicContact CG2-CG 3.71Å
83H91.4Very high86.2Confident0 Ų033.4 Ų33.40%019%0.186CC..Hα-helixtrans-63.8-50.1176.5-65.798.9000110.7M79 A80 A81 A85 V86 L87 Q106 W112 M117M79-H83 HydrophobicContact CB-CB 4.08Å; M79-H83 HydrophobicContact CG-CB 4.18Å; M79-H83 HydrophobicContact SD-CB 4.37Å; A80-H83 PolarHBondContact N-ND1 2.86Å; A80-H83 VanDerWaalsContact N-ND1 3.17Å; A80-H83 WeakPolarHBondContact O-CB 3.43Å; A80-H83 PolarHBondContact O-N 2.94Å; A81-H83 VanDerWaalsContact C-N 3.35Å; H83-A85 VanDerWaalsContact C-N 3.28Å; H83-A85 PolarHBondContact O-N 3.49Å; H83-V86 WeakPolarHBondContact O-CB 3.47Å; H83-V86 PolarHBondContact O-N 3.28Å; H83-L87 WeakPolarHBondContact O-CG 3.39Å; H83-L87 PolarHBondContact O-N 3.06Å; H83-Q106 PolarHBondContact CE1-O 2.93Å; H83-Q106 VanDerWaalsContact CE1-O 3.28Å; H83-Q106 PolarHBondContact NE2-O 2.88Å; H83-W112 PolarHBondContact NE2-O 3.26Å; H83-M117 HydrophobicContact CB-CE 3.86Å; H83-M117 HydrophobicContact CB-SD 3.58Å; H83-M117 VanDerWaalsContact CB-SD 3.58Å; H83-M117 VanDerWaalsContact CD2-SD 3.58Å
84E89.6Confident87.4Confident16 Ų1631.9 Ų31.98%0.07518%0.177CC..Hα-helixtrans-60.6-37.9177.1-169.987.3-146.900112Q49 V52 R53 A80 V86 L87 S88Q49-E84 PolarHBondContact NE2-OE2 2.84Å; V52-E84 HydrophobicContact CG1-CB 4.03Å; V52-E84 HydrophobicContact CG1-CG 4.1Å; R53-E84 HydrophobicContact CB-CG 4.36Å; R53-E84 IonicContact CZ-OE1 3.27Å; R53-E84 VanDerWaalsContact CZ-OE1 3.27Å; R53-E84 IonicContact NE-OE1 2.82Å; R53-E84 PolarHBondContact NE-OE1 3.24Å; R53-E84 VanDerWaalsContact NH2-CD 3.28Å; R53-E84 IonicContact NH2-OE1 2.93Å; R53-E84 PolarHBondContact NH2-OE1 3.28Å; R53-E84 IonicContact NH2-OE2 3.07Å; R53-E84 PolarHBondContact NH2-OE2 3.22Å; A80-E84 PolarHBondContact O-N 3.22Å; E84-V86 VanDerWaalsContact C-N 3.31Å; E84-V86 PolarHBondContact O-N 2.98Å; E84-L87 PolarHBondContact O-N 3.04Å; E84-S88 WeakPolarHBondContact O-CB 3.33Å; E84-S88 PolarHBondContact O-N 3.41Å
85A92.3Very high88.5Confident0 Ų030.1 Ų30.10%017%0.166CC..Hα-helixtrans-62.9-38.4175.300000112.1V52 A81 I82 H83 S88 N90 C93 V94 L97V52-A85 HydrophobicContact CG1-CB 3.88Å; A81-A85 PolarHBondContact O-N 3.47Å; A81-A85 VanDerWaalsContact O-N 3.09Å; I82-A85 PolarHBondContact O-N 2.99Å; H83-A85 VanDerWaalsContact C-N 3.28Å; H83-A85 PolarHBondContact O-N 3.49Å; A85-S88 PolarHBondContact O-OG 2.84Å; A85-N90 PolarHBondContact O-N 3.49Å; A85-C93 HydrophobicContact CB-CB 4.06Å; A85-V94 HydrophobicContact CB-CG2 3.82Å; A85-L97 HydrophobicContact CB-CD1 3.6Å
86V94.3Very high89.4Confident0 Ų030 Ų300%017%0.167CC..Hα-helixtrans-67.1-48.7173.8175.80000110.9I82 H83 E84 S88 G89 V94 P114 M117 A118 F123 I126I82-V86 WeakPolarHBondContact O-CG2 3.36Å; I82-V86 PolarHBondContact O-N 3.39Å; H83-V86 WeakPolarHBondContact O-CB 3.47Å; H83-V86 PolarHBondContact O-N 3.28Å; E84-V86 VanDerWaalsContact C-N 3.31Å; E84-V86 PolarHBondContact O-N 2.98Å; V86-S88 PolarHBondContact O-N 3.05Å; V86-G89 WeakPolarHBondContact O-CA 3.4Å; V86-G89 PolarHBondContact O-N 3.09Å; V86-V94 HydrophobicContact CG2-CG2 3.89Å; V86-P114 HydrophobicContact CG2-CB 4.03Å; V86-M117 HydrophobicContact CB-CB 4.48Å; V86-M117 HydrophobicContact CG1-CB 3.82Å; V86-A118 HydrophobicContact CG1-CB 3.86Å; V86-F123 HydrophobicContact CG1-CD2 4.32Å; V86-F123 WeakPolarHBondContact O-CD2 3.43Å; V86-F123 WeakPolarHBondContact O-CE2 3.31Å; V86-I126 HydrophobicContact CG1-CG2 4.22Å; V86-I126 HydrophobicContact CG2-CG2 3.91Å
87L90.5Very high90.4Very high63 Ų6325.4 Ų25.433%0.3315%0.146SC..Hα-helixtrans-57.7-33.3178.3-67.5177.3000112.5M79 H83 E84 G89 M117 D121M79-L87 HydrophobicContact SD-CD1 3.91Å; H83-L87 WeakPolarHBondContact O-CG 3.39Å; H83-L87 PolarHBondContact O-N 3.06Å; E84-L87 PolarHBondContact O-N 3.04Å; L87-G89 PolarHBondContact O-N 3.47Å; L87-M117 HydrophobicContact CD1-SD 4.24Å; L87-M117 HydrophobicContact CD2-CB 4.46Å; L87-M117 HydrophobicContact CD2-CG 4.34Å; L87-M117 HydrophobicContact CD2-SD 3.88Å; L87-M117 HydrophobicContact CG-SD 3.84Å; L87-D121 WeakPolarHBondContact CD2-OD2 3.38Å
88S89.1Confident91.4Very high46 Ų4623.7 Ų23.732%0.32213%0.133SC..THydrogen-bonded Turntrans-71.5-8174.775.30000114.3E84 A85 V86 N90E84-S88 WeakPolarHBondContact O-CB 3.33Å; E84-S88 PolarHBondContact O-N 3.41Å; A85-S88 PolarHBondContact O-OG 2.84Å; V86-S88 PolarHBondContact O-N 3.05Å; S88-N90 PolarHBondContact O-N 3.47Å; S88-N90 WeakPolarHBondContact OG-CB 3.47Å; S88-N90 PolarHBondContact OG-N 2.92Å
89G90.8Very high92.1Very high33 Ų3331.7 Ų31.734%0.3417%0.166SC..THydrogen-bonded Turntrans66.913.3-175.100000114V86 L87 L91V86-G89 WeakPolarHBondContact O-CA 3.4Å; V86-G89 PolarHBondContact O-N 3.09Å; L87-G89 PolarHBondContact O-N 3.47Å; G89-L91 PolarHBondContact O-N 3.26Å
90N92.3Very high92.4Very high47 Ų4734.4 Ų34.425%0.25118%0.178SC..  trans-95.791.5-172.7-168.2-29.4000111.9A85 S88 E92 C93 V94A85-N90 PolarHBondContact O-N 3.49Å; S88-N90 PolarHBondContact O-N 3.47Å; S88-N90 WeakPolarHBondContact OG-CB 3.47Å; S88-N90 PolarHBondContact OG-N 2.92Å; N90-E92 PolarHBondContact O-N 3.06Å; N90-E92 PolarHBondContact OD1-N 3.49Å; N90-E92 VanDerWaalsContact OD1-N 3.16Å; N90-C93 HydrophobicContact CB-CB 4.01Å; N90-C93 PolarHBondContact ND2-SG 3.32Å; N90-C93 VanDerWaalsContact ND2-SG 3.36Å; N90-C93 WeakPolarHBondContact O-CB 3.34Å; N90-C93 PolarHBondContact O-N 3.12Å; N90-C93 PolarHBondContact OD1-N 3.09Å; N90-C93 VanDerWaalsContact OD1-N 3.1Å; N90-V94 PolarHBondContact O-N 3.3Å; N90-V94 VanDerWaalsContact O-N 3.12Å
91L95Very high92.4Very high39 Ų3937.1 Ų37.120%0.20421%0.206CC..Hα-helixtrans-54.8-37.3178.5176.562.1000113.4G89 C93 V94 K95 D125 I126 Y129G89-L91 PolarHBondContact O-N 3.26Å; L91-C93 VanDerWaalsContact C-N 3.33Å; L91-V94 PolarHBondContact O-N 3.3Å; L91-K95 HydrophobicContact CD1-CD 4.48Å; L91-K95 HydrophobicContact CD1-CG 4.32Å; L91-K95 HydrophobicContact CG-CD 4.21Å; L91-K95 WeakPolarHBondContact O-CG 3.08Å; L91-K95 PolarHBondContact O-N 3.49Å; L91-D125 HydrophobicContact CD2-CB 4.33Å; L91-I126 HydrophobicContact CB-CG1 4.16Å; L91-I126 HydrophobicContact CD1-CG1 4.21Å; L91-Y129 HydrophobicContact CD1-CD1 4Å; L91-Y129 HydrophobicContact CD1-CG 3.92Å
92E95.4Very high92.5Very high97 Ų9737.5 Ų37.545%0.45321%0.209SC..Hα-helixtrans-70-32.7-179.7-63.7-55.1128.300111.9L57 N90 K95 L96L57-E92 HydrophobicContact CD1-CB 4.04Å; L57-E92 HydrophobicContact CD2-CB 4.33Å; N90-E92 PolarHBondContact O-N 3.06Å; N90-E92 PolarHBondContact OD1-N 3.49Å; N90-E92 VanDerWaalsContact OD1-N 3.16Å; E92-K95 IonicContact OE1-NZ 2.74Å; E92-K95 PolarHBondContact OE1-NZ 3.37Å; E92-L96 WeakPolarHBondContact O-CB 3.17Å; E92-L96 PolarHBondContact O-N 3.32Å
93C94.5Very high92.5Very high0 Ų040.7 Ų40.70%023%0.226CC..Hα-helixtrans-65.5-46.1170.6-73.80000111.5G55 L57 A85 N90 L91 K95 L96 L97G55-C93 VanDerWaalsContact CA-SG 3.5Å; L57-C93 HydrophobicContact CD2-CB 4.25Å; L57-C93 WeakPolarHBondContact CD2-SG 3.44Å; A85-C93 HydrophobicContact CB-CB 4.06Å; N90-C93 HydrophobicContact CB-CB 4.01Å; N90-C93 PolarHBondContact ND2-SG 3.32Å; N90-C93 VanDerWaalsContact ND2-SG 3.36Å; N90-C93 WeakPolarHBondContact O-CB 3.34Å; N90-C93 PolarHBondContact O-N 3.12Å; N90-C93 PolarHBondContact OD1-N 3.09Å; N90-C93 VanDerWaalsContact OD1-N 3.1Å; L91-C93 VanDerWaalsContact C-N 3.33Å; C93-K95 PolarHBondContact O-N 2.91Å; C93-L96 WeakPolarHBondContact O-CB 3.42Å; C93-L96 PolarHBondContact O-N 2.82Å; C93-L96 VanDerWaalsContact O-N 3.16Å; C93-L97 WeakPolarHBondContact O-CG 3.34Å; C93-L97 PolarHBondContact O-N 3.12Å
94V95.5Very high92.6Very high0 Ų041.8 Ų41.80%023%0.232CC..Hα-helixtrans-56.9-50.5176.5177.60000110.2A85 V86 N90 L91 L96 L97 V98 I126 Y129 L130A85-V94 HydrophobicContact CB-CG2 3.82Å; V86-V94 HydrophobicContact CG2-CG2 3.89Å; N90-V94 PolarHBondContact O-N 3.3Å; N90-V94 VanDerWaalsContact O-N 3.12Å; L91-V94 PolarHBondContact O-N 3.3Å; V94-L96 VanDerWaalsContact C-N 3.31Å; V94-L96 PolarHBondContact O-N 3.48Å; V94-L97 PolarHBondContact O-N 3.09Å; V94-V98 HydrophobicContact CG1-CG2 4.39Å; V94-V98 WeakPolarHBondContact O-CG2 3.4Å; V94-V98 PolarHBondContact O-N 3.14Å; V94-I126 HydrophobicContact CG2-CD1 4.46Å; V94-I126 HydrophobicContact CG2-CG2 4.28Å; V94-Y129 HydrophobicContact CG1-CD1 4.08Å; V94-Y129 HydrophobicContact CG1-CE1 4.11Å; V94-L130 HydrophobicContact CG1-CD2 4.22Å
95K95.9Very high92.8Very high67 Ų6745.2 Ų45.229%0.29125%0.248SC..Hα-helixtrans-57-42.5176.1-73.8171.2-177.1165.60112.5L91 E92 C93 K99 Y129L91-K95 HydrophobicContact CD1-CD 4.48Å; L91-K95 HydrophobicContact CD1-CG 4.32Å; L91-K95 HydrophobicContact CG-CD 4.21Å; L91-K95 WeakPolarHBondContact O-CG 3.08Å; L91-K95 PolarHBondContact O-N 3.49Å; E92-K95 IonicContact OE1-NZ 2.74Å; E92-K95 PolarHBondContact OE1-NZ 3.37Å; C93-K95 PolarHBondContact O-N 2.91Å; K95-K99 WeakPolarHBondContact O-CB 3.4Å; K95-K99 PolarHBondContact O-N 2.89Å; K95-Y129 HydrophobicContact CB-CE1 4.4Å; K95-Y129 HydrophobicContact CG-CD1 4.15Å; K95-Y129 HydrophobicContact CG-CD2 4.3Å; K95-Y129 HydrophobicContact CG-CE1 3.7Å; K95-Y129 HydrophobicContact CG-CE2 3.89Å; K95-Y129 HydrophobicContact CG-CG 4.42Å
96L94.4Very high92.7Very high33 Ų3347.3 Ų47.317%0.17326%0.257CS..Hα-helixtrans-63-47.2179.1-178.866.4000111.1L57 I60 E92 C93 V94 K99 H100L57-L96 HydrophobicContact CB-CD2 4.18Å; L57-L96 HydrophobicContact CD2-CB 4.34Å; L57-L96 HydrophobicContact CD2-CD2 3.85Å; L57-L96 WeakPolarHBondContact O-CD2 3.38Å; I60-L96 HydrophobicContact CB-CD2 3.93Å; I60-L96 HydrophobicContact CG2-CD2 3.68Å; I60-L96 HydrophobicContact CG2-CG 4.44Å; E92-L96 WeakPolarHBondContact O-CB 3.17Å; E92-L96 PolarHBondContact O-N 3.32Å; C93-L96 WeakPolarHBondContact O-CB 3.42Å; C93-L96 PolarHBondContact O-N 2.82Å; C93-L96 VanDerWaalsContact O-N 3.16Å; V94-L96 VanDerWaalsContact C-N 3.31Å; V94-L96 PolarHBondContact O-N 3.48Å; L96-K99 PolarHBondContact O-N 3.05Å; L96-H100 PolarHBondContact O-CD2 3.36Å; L96-H100 PolarHBondContact O-N 3.04Å
97L92.3Very high92.6Very high0 Ų053.2 Ų53.20%028%0.28CS..Hα-helixtrans-63.4-47179.2-66.3176.8000111.5F48 I60 I64 L71 A81 A85 C93 V94 K99 H100 G101 A102F48-L97 HydrophobicContact CZ-CD2 3.94Å; I60-L97 HydrophobicContact CG2-CD2 3.91Å; I64-L97 HydrophobicContact CD1-CD2 3.93Å; L71-L97 HydrophobicContact CD2-CD2 3.82Å; A81-L97 HydrophobicContact CB-CD1 4.11Å; A81-L97 HydrophobicContact CB-CD2 4.41Å; A81-L97 VanDerWaalsContact O-CD1 3.31Å; A81-L97 WeakPolarHBondContact O-CD1 3.37Å; A85-L97 HydrophobicContact CB-CD1 3.6Å; C93-L97 WeakPolarHBondContact O-CG 3.34Å; C93-L97 PolarHBondContact O-N 3.12Å; V94-L97 PolarHBondContact O-N 3.09Å; L97-K99 PolarHBondContact O-N 3.45Å; L97-H100 CarbonylContact O-C 3.5Å; L97-H100 WeakPolarHBondContact O-CA 3.29Å; L97-H100 PolarHBondContact O-N 2.75Å; L97-G101 PolarHBondContact O-N 3.21Å; L97-A102 HydrophobicContact CB-CB 3.92Å; L97-A102 WeakPolarHBondContact O-CB 3.34Å; L97-A102 PolarHBondContact O-N 3.42Å
98V93.9Very high92.5Very high27 Ų2751 Ų5116%0.16427%0.268CS..Hα-helixtrans-60.5-45.5177.1170.90000111.3I82 V94 H100 G101 I104 Y129 I133I82-V98 HydrophobicContact CD1-CG2 3.79Å; V94-V98 HydrophobicContact CG1-CG2 4.39Å; V94-V98 WeakPolarHBondContact O-CG2 3.4Å; V94-V98 PolarHBondContact O-N 3.14Å; V98-H100 PolarHBondContact O-N 3.43Å; V98-H100 VanDerWaalsContact O-N 3.09Å; V98-G101 PolarHBondContact O-N 2.83Å; V98-I104 HydrophobicContact CG1-CG2 4.26Å; V98-I104 HydrophobicContact CG2-CG2 3.74Å; V98-Y129 HydrophobicContact CG2-CE1 4.34Å; V98-I133 HydrophobicContact CG1-CD1 3.74Å; V98-I133 HydrophobicContact CG2-CD1 4.15Å
99K93.6Very high92.6Very high173 Ų17354.5 Ų54.575%0.75228%0.279SS*.Hα-helixtrans-57.1-28.4176.1180-179.9179.7-179.40112.6K95 L96 L97K95-K99 WeakPolarHBondContact O-CB 3.4Å; K95-K99 PolarHBondContact O-N 2.89Å; L96-K99 PolarHBondContact O-N 3.05Å; L97-K99 PolarHBondContact O-N 3.45Å
100H89.9Confident92.5Very high78 Ų7858.5 Ų58.536%0.36129%0.29SS..THydrogen-bonded Turntrans-92.84.6178.4-80.5-65.3000114.4I64 L71 L96 L97 V98I64-H100 HydrophobicContact CD1-CB 4.08Å; I64-H100 HydrophobicContact CG2-CB 3.69Å; L71-H100 HydrophobicContact CD1-CB 3.95Å; L71-H100 WeakPolarHBondContact CD1-O 3.46Å; L96-H100 PolarHBondContact O-CD2 3.36Å; L96-H100 PolarHBondContact O-N 3.04Å; L97-H100 CarbonylContact O-C 3.5Å; L97-H100 WeakPolarHBondContact O-CA 3.29Å; L97-H100 PolarHBondContact O-N 2.75Å; V98-H100 PolarHBondContact O-N 3.43Å; V98-H100 VanDerWaalsContact O-N 3.09Å
101G89.4Confident92.5Very high58 Ų5856.5 Ų56.560%0.59828%0.28SS*.THydrogen-bonded Turntrans95.122.7173.700000114.6L97 V98L97-G101 PolarHBondContact O-N 3.21Å; V98-G101 PolarHBondContact O-N 2.83Å
102A90.6Very high92.5Very high8 Ų856.9 Ų56.97%0.06628%0.279CS..  trans-62.9137.4167.400000110.1L71 I82 L97 I104L71-A102 HydrophobicContact CB-CB 4.26Å; L71-A102 HydrophobicContact CD1-CB 4.08Å; I82-A102 HydrophobicContact CB-CB 4.4Å; I82-A102 HydrophobicContact CD1-CB 4.3Å; L97-A102 HydrophobicContact CB-CB 3.92Å; L97-A102 WeakPolarHBondContact O-CB 3.34Å; L97-A102 PolarHBondContact O-N 3.42Å; A102-I104 PolarHBondContact O-N 3.04Å
103D91.3Very high92.5Very high70 Ų7052.7 Ų52.737%0.37426%0.259SS..  trans-75.5122.8177-175.77.5000110.5H105 Q106D103-H105 VanDerWaalsContact C-N 3.28Å; D103-H105 IonicContact OD1-CD2 3.9Å; D103-H105 PolarHBondContact OD1-N 3.29Å; D103-Q106 HydrophobicContact CB-CB 4.21Å; D103-Q106 WeakPolarHBondContact O-CB 3.34Å; D103-Q106 PolarHBondContact O-N 3.42Å
104I94.3Very high92.5Very high22 Ų2252.7 Ų52.711%0.11326%0.259CS..THydrogen-bonded Turntrans-78.9-14.4179.464.1170.1000112.6I82 V98 A102 P114 I133I82-I104 HydrophobicContact CD1-CG2 4.2Å; V98-I104 HydrophobicContact CG1-CG2 4.26Å; V98-I104 HydrophobicContact CG2-CG2 3.74Å; A102-I104 PolarHBondContact O-N 3.04Å; I104-P114 WeakPolarHBondContact O-CD 3.44Å; I104-I133 HydrophobicContact CD1-CD1 4.29Å; I104-I133 HydrophobicContact CD1-CG1 3.99Å; I104-I133 HydrophobicContact CG2-CD1 3.62Å; I104-I133 HydrophobicContact CG2-CG1 4.46Å
105H93.3Very high92.6Very high89 Ų8952.7 Ų52.741%0.41226%0.26SS..THydrogen-bonded Turntrans-104.47.3176.4-55.9-70.9000112.1D103 R107 G134D103-H105 VanDerWaalsContact C-N 3.28Å; D103-H105 IonicContact OD1-CD2 3.9Å; D103-H105 PolarHBondContact OD1-N 3.29Å; H105-R107 PolarHBondContact O-N 3.08Å; H105-G134 PolarHBondContact CE1-O 2.95Å; H105-G134 VanDerWaalsContact CE1-O 3.3Å
106Q91.3Very high92.5Very high43 Ų4349.5 Ų49.520%0.20125%0.246CC..  trans-53.4129.8176.2-177.262.361.100109.2A80 I82 H83 D103 P114A80-Q106 HydrophobicContact CB-CG 3.73Å; I82-Q106 HydrophobicContact CG2-CB 4.48Å; H83-Q106 PolarHBondContact CE1-O 2.93Å; H83-Q106 VanDerWaalsContact CE1-O 3.28Å; H83-Q106 PolarHBondContact NE2-O 2.88Å; D103-Q106 HydrophobicContact CB-CB 4.21Å; D103-Q106 WeakPolarHBondContact O-CB 3.34Å; D103-Q106 PolarHBondContact O-N 3.42Å; Q106-P114 WeakPolarHBondContact O-CD 3.31Å
107R91.2Very high92.5Very high124 Ų12448.4 Ų48.447%0.46824%0.24SC..  trans-100.5141.5174.4-75.1-177.2154.1150.5-1110.8H105 G111 W112 T113 E140H105-R107 PolarHBondContact O-N 3.08Å; R107-G111 PolarHBondContact NE-O 3.15Å; R107-W112 VanDerWaalsContact CA-O 3.3Å; R107-W112 WeakPolarHBondContact CA-O 3.3Å; R107-T113 HydrophobicContact CG-CG2 4.08Å; R107-E140 PolarHBondContact NH2-O 3.41Å
108D88.9Confident92.6Very high16 Ų1648.4 Ų48.49%0.08624%0.24CC..  trans-85.3-171.2167.174.43.5000111.8M79 E110 G111 W112 M117M79-D108 HydrophobicContact CG-CB 4.05Å; D108-E110 PolarHBondContact O-N 3.3Å; D108-E110 PolarHBondContact OD1-N 3.36Å; D108-G111 PolarHBondContact O-N 3.1Å; D108-G111 VanDerWaalsContact O-N 3.13Å; D108-G111 PolarHBondContact OD1-N 3.06Å; D108-G111 VanDerWaalsContact OD1-N 3.15Å; D108-W112 PolarHBondContact N-O 2.98Å; D108-W112 WeakPolarHBondContact OD1-CB 3.37Å; D108-W112 PolarHBondContact OD1-N 3.24Å; D108-M117 WeakPolarHBondContact OD2-CE 3.4Å
109E89.8Confident92.6Very high120 Ų12047.1 Ų47.156%0.56123%0.232SC*.THydrogen-bonded Turntrans-66.3-18.5-179.3-83.5169.6-14800114.1S77 G78S77-E109 VanDerWaalsContact CA-CD 3.43Å; S77-E109 WeakPolarHBondContact CA-OE1 3.3Å; S77-E109 WeakPolarHBondContact CA-OE2 3.39Å; S77-E109 WeakPolarHBondContact O-CB 3.47Å; S77-E109 PolarHBondContact O-N 3.12Å; S77-E109 VanDerWaalsContact O-N 3.09Å; G78-E109 PolarHBondContact N-OE1 3.21Å
110E89.6Confident92.6Very high118 Ų11840.4 Ų40.455%0.55121%0.207SC*.THydrogen-bonded Turntrans-99.77.5176.4-62.3-175.2104.400111.2D108 W112 E142D108-E110 PolarHBondContact O-N 3.3Å; D108-E110 PolarHBondContact OD1-N 3.36Å; E110-W112 PolarHBondContact O-N 3.45Å; E110-E142 WeakPolarHBondContact O-CB 3.47Å; E110-E142 WeakPolarHBondContact O-CG 3.49Å; E110-E142 PolarHBondContact O-N 3.09Å
111G91.9Very high92.6Very high5 Ų540 Ų405%0.05221%0.207CC..  trans75.49.4-177.600000113.8R107 D108R107-G111 PolarHBondContact NE-O 3.15Å; D108-G111 PolarHBondContact O-N 3.1Å; D108-G111 VanDerWaalsContact O-N 3.13Å; D108-G111 PolarHBondContact OD1-N 3.06Å; D108-G111 VanDerWaalsContact OD1-N 3.15Å
112W94.6Very high92.7Very high47 Ų4737.9 Ų37.918%0.17819%0.186CC..  trans-71.6138.6179.2-73.742000109.9H83 R107 D108 E110 H116 M117 N141 L150H83-W112 PolarHBondContact NE2-O 3.26Å; R107-W112 VanDerWaalsContact CA-O 3.3Å; R107-W112 WeakPolarHBondContact CA-O 3.3Å; D108-W112 PolarHBondContact N-O 2.98Å; D108-W112 WeakPolarHBondContact OD1-CB 3.37Å; D108-W112 PolarHBondContact OD1-N 3.24Å; E110-W112 PolarHBondContact O-N 3.45Å; W112-H116 HydrophobicContact CB-CB 4.04Å; W112-H116 HydrophobicContact CD2-CB 4Å; W112-H116 HydrophobicContact CE3-CB 3.87Å; W112-H116 HydrophobicContact CG-CB 4.09Å; W112-M117 HydrophobicContact CE3-CG 3.75Å; W112-M117 HydrophobicContact CZ3-CG 4.29Å; W112-N141 PolarHBondContact NE1-ND2 2.96Å; W112-N141 VanDerWaalsContact NE1-ND2 3.18Å; W112-L150 HydrophobicContact CD2-CD1 4.2Å; W112-L150 HydrophobicContact CE3-CD1 4.37Å; W112-L150 HydrophobicContact CH2-CD1 3.85Å; W112-L150 HydrophobicContact CZ2-CD1 3.66Å; W112-L150 HydrophobicContact CZ2-CD2 4.21Å; W112-L150 HydrophobicContact CZ3-CD1 4.21Å
113T95.6Very high92.9Very high8 Ų840.1 Ų40.15%0.04919%0.194CC..  trans-98.6166.9171.470.40000109.7R107 L115 H116 M117 A139R107-T113 HydrophobicContact CG-CG2 4.08Å; T113-L115 PolarHBondContact O-N 3.13Å; T113-L115 PolarHBondContact OG1-N 2.9Å; T113-H116 PolarHBondContact N-ND1 2.87Å; T113-H116 WeakPolarHBondContact O-CB 3.18Å; T113-H116 PolarHBondContact O-N 3.44Å; T113-H116 PolarHBondContact OG1-N 3.04Å; T113-H116 PolarHBondContact OG1-ND1 3.09Å; T113-M117 PolarHBondContact O-N 3.48Å; T113-A139 HydrophobicContact CG2-CB 4.26Å
114P95.6Very high93.1Very high0 Ų037.7 Ų37.70%018%0.182CC..Hα-helixtrans-53-29.3171.7-29.537.4000113.7I82 V86 I104 Q106 A118 L130I82-P114 HydrophobicContact CB-CG 4.4Å; I82-P114 HydrophobicContact CD1-CB 4.41Å; I82-P114 HydrophobicContact CD1-CG 4.01Å; I82-P114 HydrophobicContact CG1-CB 4.2Å; I82-P114 HydrophobicContact CG1-CG 3.91Å; I82-P114 HydrophobicContact CG2-CG 3.71Å; V86-P114 HydrophobicContact CG2-CB 4.03Å; I104-P114 WeakPolarHBondContact O-CD 3.44Å; Q106-P114 WeakPolarHBondContact O-CD 3.31Å; P114-A118 WeakPolarHBondContact O-CB 3.49Å; P114-A118 PolarHBondContact O-N 3.15Å; P114-A118 VanDerWaalsContact O-N 3.09Å; P114-L130 HydrophobicContact CB-CD1 3.86Å; P114-L130 HydrophobicContact CB-CD2 4.31Å
115L96.4Very high93.1Very high1 Ų141.6 Ų41.61%0.00520%0.203CC..Hα-helixtrans-72.6-38.9176.9-173.860.8000112.2T113 M117 A118 C119 A127 L130 L131 A135 P147 L165T113-L115 PolarHBondContact O-N 3.13Å; T113-L115 PolarHBondContact OG1-N 2.9Å; L115-M117 VanDerWaalsContact C-N 3.34Å; L115-M117 PolarHBondContact O-N 3.13Å; L115-A118 PolarHBondContact O-N 3.24Å; L115-C119 PolarHBondContact O-N 2.92Å; L115-C119 PolarHBondContact O-SG 2.89Å; L115-C119 VanDerWaalsContact O-SG 3.35Å; L115-A127 HydrophobicContact CD1-CB 3.88Å; L115-L130 HydrophobicContact CB-CD1 4.34Å; L115-L130 HydrophobicContact CD1-CB 4.34Å; L115-L130 HydrophobicContact CD1-CD1 4.46Å; L115-L131 HydrophobicContact CD1-CG 4.24Å; L115-L131 HydrophobicContact CD2-CD2 3.8Å; L115-L131 HydrophobicContact CD2-CG 4.38Å; L115-A135 HydrophobicContact CB-CB 4.5Å; L115-A135 HydrophobicContact CD2-CB 4.15Å; L115-P147 HydrophobicContact CB-CG 4.31Å; L115-P147 HydrophobicContact CD2-CB 4.3Å; L115-P147 HydrophobicContact CD2-CG 3.99Å; L115-P147 HydrophobicContact CG-CB 3.91Å; L115-P147 HydrophobicContact CG-CG 3.92Å; L115-L165 HydrophobicContact CD2-CD2 4.37Å
116H95.3Very high93.3Very high0 Ų037.5 Ų37.50%018%0.184CC..Hα-helixtrans-57.2-48.6173.4-69.787.2000110.9W112 T113 A118 C119 S120 A139 E145 L150W112-H116 HydrophobicContact CB-CB 4.04Å; W112-H116 HydrophobicContact CD2-CB 4Å; W112-H116 HydrophobicContact CE3-CB 3.87Å; W112-H116 HydrophobicContact CG-CB 4.09Å; T113-H116 PolarHBondContact N-ND1 2.87Å; T113-H116 WeakPolarHBondContact O-CB 3.18Å; T113-H116 PolarHBondContact O-N 3.44Å; T113-H116 PolarHBondContact OG1-N 3.04Å; T113-H116 PolarHBondContact OG1-ND1 3.09Å; H116-A118 PolarHBondContact O-N 2.93Å; H116-C119 PolarHBondContact O-N 2.84Å; H116-S120 WeakPolarHBondContact O-CB 3.47Å; H116-S120 PolarHBondContact O-N 3.39Å; H116-A139 PolarHBondContact CE1-O 3.36Å; H116-A139 PolarHBondContact NE2-O 3.06Å; H116-E145 PolarHBondContact NE2-O 3.35Å; H116-L150 HydrophobicContact CB-CD1 3.91Å
117M94Very high93.5Very high9 Ų935.5 Ų35.54%0.04418%0.175CC..Hα-helixtrans-62.2-43.2177.7-70.5-173.9179.700112.4M79 H83 V86 L87 D108 W112 T113 L115 C119 S120 D121M79-M117 HydrophobicContact CG-CE 4.03Å; M79-M117 HydrophobicContact SD-CE 3.72Å; H83-M117 HydrophobicContact CB-CE 3.86Å; H83-M117 HydrophobicContact CB-SD 3.58Å; H83-M117 VanDerWaalsContact CB-SD 3.58Å; H83-M117 VanDerWaalsContact CD2-SD 3.58Å; V86-M117 HydrophobicContact CB-CB 4.48Å; V86-M117 HydrophobicContact CG1-CB 3.82Å; L87-M117 HydrophobicContact CD1-SD 4.24Å; L87-M117 HydrophobicContact CD2-CB 4.46Å; L87-M117 HydrophobicContact CD2-CG 4.34Å; L87-M117 HydrophobicContact CD2-SD 3.88Å; L87-M117 HydrophobicContact CG-SD 3.84Å; D108-M117 WeakPolarHBondContact OD2-CE 3.4Å; W112-M117 HydrophobicContact CE3-CG 3.75Å; W112-M117 HydrophobicContact CZ3-CG 4.29Å; T113-M117 PolarHBondContact O-N 3.48Å; L115-M117 VanDerWaalsContact C-N 3.34Å; L115-M117 PolarHBondContact O-N 3.13Å; M117-C119 PolarHBondContact O-N 3.18Å; M117-S120 PolarHBondContact O-N 3.03Å; M117-D121 WeakPolarHBondContact O-CB 3.32Å; M117-D121 PolarHBondContact O-N 3.32Å
118A94.5Very high93.7Very high0 Ų034.7 Ų34.70%018%0.175CC..Hα-helixtrans-62.4-34.2179.300000112.4V86 P114 L115 H116 G122 F123 I126 A127 L130V86-A118 HydrophobicContact CG1-CB 3.86Å; P114-A118 WeakPolarHBondContact O-CB 3.49Å; P114-A118 PolarHBondContact O-N 3.15Å; P114-A118 VanDerWaalsContact O-N 3.09Å; L115-A118 PolarHBondContact O-N 3.24Å; H116-A118 PolarHBondContact O-N 2.93Å; A118-G122 PolarHBondContact O-N 3.1Å; A118-F123 PolarHBondContact O-N 3.31Å; A118-I126 HydrophobicContact CB-CB 4.29Å; A118-I126 HydrophobicContact CB-CG2 4.02Å; A118-A127 HydrophobicContact CB-CB 4.09Å; A118-L130 HydrophobicContact CB-CD1 4.33Å
119C93.6Very high94.1Very high0 Ų036.2 Ų36.20%018%0.18CC..Hα-helixtrans-75.7-45.6176.5-69.90000112.4L115 H116 M117 D121 G122 P147 I151L115-C119 PolarHBondContact O-N 2.92Å; L115-C119 PolarHBondContact O-SG 2.89Å; L115-C119 VanDerWaalsContact O-SG 3.35Å; H116-C119 PolarHBondContact O-N 2.84Å; M117-C119 PolarHBondContact O-N 3.18Å; C119-D121 PolarHBondContact O-N 3.47Å; C119-G122 PolarHBondContact O-N 3.04Å; C119-P147 HydrophobicContact CB-CB 4.23Å; C119-P147 WeakPolarHBondContact CB-O 3.21Å; C119-I151 HydrophobicContact CB-CG1 3.91Å
120S92.9Very high94.4Very high33 Ų3330.5 Ų30.523%0.23115%0.153CC..Hα-helixtrans-58.8-45.4176.4176.60000112.3H116 M117 G122 L150H116-S120 WeakPolarHBondContact O-CB 3.47Å; H116-S120 PolarHBondContact O-N 3.39Å; M117-S120 PolarHBondContact O-N 3.03Å; S120-G122 VanDerWaalsContact C-N 3.32Å; S120-G122 PolarHBondContact O-N 3.38Å; S120-L150 WeakPolarHBondContact CA-O 3.38Å
121D91.1Very high94.7Very high68 Ų6826.8 Ų26.836%0.36414%0.137SC..THydrogen-bonded Turntrans-86.7-2.2-176.6-71.64.2000113.4L87 M117 C119 F123L87-D121 WeakPolarHBondContact CD2-OD2 3.38Å; M117-D121 WeakPolarHBondContact O-CB 3.32Å; M117-D121 PolarHBondContact O-N 3.32Å; C119-D121 PolarHBondContact O-N 3.47Å; D121-F123 HydrophobicContact CB-CD2 3.7Å; D121-F123 HydrophobicContact CB-CE2 3.38Å; D121-F123 HydrophobicContact CB-CG 4.5Å; D121-F123 HydrophobicContact CB-CZ 3.97Å
122G92.1Very high94.9Very high14 Ų1430.8 Ų30.814%0.14416%0.164CC..THydrogen-bonded Turntrans74.839.417500000114.7A118 C119 S120 P124A118-G122 PolarHBondContact O-N 3.1Å; C119-G122 PolarHBondContact O-N 3.04Å; S120-G122 VanDerWaalsContact C-N 3.32Å; S120-G122 PolarHBondContact O-N 3.38Å; G122-P124 VanDerWaalsContact C-CD 3.44Å; G122-P124 WeakPolarHBondContact O-CD 3.36Å
123F94.6Very high94.9Very high56 Ų5631.5 Ų31.525%0.24617%0.171CC..  trans-102.877.7179.2-60.2-45.4000112.8V86 A118 D121 D125 I126 A127V86-F123 HydrophobicContact CG1-CD2 4.32Å; V86-F123 WeakPolarHBondContact O-CD2 3.43Å; V86-F123 WeakPolarHBondContact O-CE2 3.31Å; A118-F123 PolarHBondContact O-N 3.31Å; D121-F123 HydrophobicContact CB-CD2 3.7Å; D121-F123 HydrophobicContact CB-CE2 3.38Å; D121-F123 HydrophobicContact CB-CG 4.5Å; D121-F123 HydrophobicContact CB-CZ 3.97Å; F123-D125 VanDerWaalsContact C-N 3.32Å; F123-D125 PolarHBondContact O-N 3.17Å; F123-I126 HydrophobicContact CB-CB 4Å; F123-I126 HydrophobicContact CB-CD1 3.94Å; F123-I126 HydrophobicContact CB-CG1 4.08Å; F123-I126 HydrophobicContact CD2-CD1 4.14Å; F123-I126 HydrophobicContact CG-CD1 4.1Å; F123-I126 PolarHBondContact O-N 3.16Å; F123-I126 VanDerWaalsContact O-N 3.13Å; F123-A127 PolarHBondContact O-N 3.47Å
124P94.1Very high94.8Very high19 Ų1933.4 Ų33.412%0.12319%0.192CC..Hα-helixtrans-60.3-37.4-176.424.6-34.8000113.4G122 I126 A127 K128 E160 L161G122-P124 VanDerWaalsContact C-CD 3.44Å; G122-P124 WeakPolarHBondContact O-CD 3.36Å; P124-I126 VanDerWaalsContact C-N 3.3Å; P124-I126 PolarHBondContact O-N 3Å; P124-A127 PolarHBondContact O-N 3.05Å; P124-K128 WeakPolarHBondContact O-CB 3.33Å; P124-K128 PolarHBondContact O-N 3.31Å; P124-E160 HydrophobicContact CB-CB 4.03Å; P124-E160 HydrophobicContact CB-CG 3.81Å; P124-L161 HydrophobicContact CB-CD2 4.19Å; P124-L161 HydrophobicContact CB-CG 4.16Å
125D95.8Very high94.8Very high104 Ų10433.8 Ų33.856%0.55620%0.195SC*.Hα-helixtrans-62.8-37.7178.5-71.8-42.3000112.4L91 F123 Y129L91-D125 HydrophobicContact CD2-CB 4.33Å; F123-D125 VanDerWaalsContact C-N 3.32Å; F123-D125 PolarHBondContact O-N 3.17Å; D125-Y129 PolarHBondContact O-N 3.36Å; D125-Y129 VanDerWaalsContact O-N 3.15Å
126I96.3Very high94.7Very high3 Ų337.4 Ų37.42%0.01521%0.214CC..Hα-helixtrans-74.1-47.7177.5-61-178.9000109.8V86 L91 V94 A118 F123 P124 K128 Y129 L130V86-I126 HydrophobicContact CG1-CG2 4.22Å; V86-I126 HydrophobicContact CG2-CG2 3.91Å; L91-I126 HydrophobicContact CB-CG1 4.16Å; L91-I126 HydrophobicContact CD1-CG1 4.21Å; V94-I126 HydrophobicContact CG2-CD1 4.46Å; V94-I126 HydrophobicContact CG2-CG2 4.28Å; A118-I126 HydrophobicContact CB-CB 4.29Å; A118-I126 HydrophobicContact CB-CG2 4.02Å; F123-I126 HydrophobicContact CB-CB 4Å; F123-I126 HydrophobicContact CB-CD1 3.94Å; F123-I126 HydrophobicContact CB-CG1 4.08Å; F123-I126 HydrophobicContact CD2-CD1 4.14Å; F123-I126 HydrophobicContact CG-CD1 4.1Å; F123-I126 PolarHBondContact O-N 3.16Å; F123-I126 VanDerWaalsContact O-N 3.13Å; P124-I126 VanDerWaalsContact C-N 3.3Å; P124-I126 PolarHBondContact O-N 3Å; I126-K128 VanDerWaalsContact C-N 3.31Å; I126-K128 PolarHBondContact O-N 2.95Å; I126-Y129 WeakPolarHBondContact O-CB 3.44Å; I126-Y129 PolarHBondContact O-N 2.9Å; I126-Y129 VanDerWaalsContact O-N 3.1Å; I126-L130 HydrophobicContact CG2-CD1 3.96Å; I126-L130 HydrophobicContact CG2-CG 4.28Å; I126-L130 WeakPolarHBondContact O-CG 3.39Å; I126-L130 PolarHBondContact O-N 3.21Å
127A95.8Very high94.6Very high1 Ų139.3 Ų39.31%0.00823%0.227CC..Hα-helixtrans-56.4-46.1177.100000111.4L115 A118 F123 P124 Y129 L130 L131 L161L115-A127 HydrophobicContact CD1-CB 3.88Å; A118-A127 HydrophobicContact CB-CB 4.09Å; F123-A127 PolarHBondContact O-N 3.47Å; P124-A127 PolarHBondContact O-N 3.05Å; A127-Y129 VanDerWaalsContact C-N 3.34Å; A127-Y129 PolarHBondContact O-N 3.09Å; A127-L130 PolarHBondContact O-N 3.09Å; A127-L131 WeakPolarHBondContact O-CB 3.39Å; A127-L131 VanDerWaalsContact O-CG 3.3Å; A127-L131 WeakPolarHBondContact O-CG 3.07Å; A127-L131 PolarHBondContact O-N 3.28Å; A127-L161 HydrophobicContact CB-CD2 3.44Å; A127-L161 VanDerWaalsContact CB-CD2 3.44Å
128K95.5Very high94.6Very high107 Ų10744.6 Ų44.647%0.46525%0.251SS..Hα-helixtrans-58.3-44.1175-174.7175.4-172.5168.90112.5P124 I126 S132 L164P124-K128 WeakPolarHBondContact O-CB 3.33Å; P124-K128 PolarHBondContact O-N 3.31Å; I126-K128 VanDerWaalsContact C-N 3.31Å; I126-K128 PolarHBondContact O-N 2.95Å; K128-S132 WeakPolarHBondContact O-CB 3.42Å; K128-S132 PolarHBondContact O-N 3.01Å; K128-L164 HydrophobicContact CB-CD1 3.8Å; K128-L164 HydrophobicContact CB-CD2 4.14Å; K128-L164 HydrophobicContact CD-CD2 4.38Å; K128-L164 HydrophobicContact CG-CD1 4.48Å; K128-L164 HydrophobicContact CG-CD2 3.97Å
129Y97.1Very high94.5Very high48 Ų4845.1 Ų45.119%0.18826%0.256CS..Hα-helixtrans-63.2-48.1176.5174.7-111.5000111.5L91 V94 K95 V98 D125 I126 A127 L131 S132 I133L91-Y129 HydrophobicContact CD1-CD1 4Å; L91-Y129 HydrophobicContact CD1-CG 3.92Å; V94-Y129 HydrophobicContact CG1-CD1 4.08Å; V94-Y129 HydrophobicContact CG1-CE1 4.11Å; K95-Y129 HydrophobicContact CB-CE1 4.4Å; K95-Y129 HydrophobicContact CG-CD1 4.15Å; K95-Y129 HydrophobicContact CG-CD2 4.3Å; K95-Y129 HydrophobicContact CG-CE1 3.7Å; K95-Y129 HydrophobicContact CG-CE2 3.89Å; K95-Y129 HydrophobicContact CG-CG 4.42Å; V98-Y129 HydrophobicContact CG2-CE1 4.34Å; D125-Y129 PolarHBondContact O-N 3.36Å; D125-Y129 VanDerWaalsContact O-N 3.15Å; I126-Y129 WeakPolarHBondContact O-CB 3.44Å; I126-Y129 PolarHBondContact O-N 2.9Å; I126-Y129 VanDerWaalsContact O-N 3.1Å; A127-Y129 VanDerWaalsContact C-N 3.34Å; A127-Y129 PolarHBondContact O-N 3.09Å; Y129-L131 PolarHBondContact O-N 3.19Å; Y129-S132 WeakPolarHBondContact O-CB 3.45Å; Y129-S132 PolarHBondContact O-N 3.41Å; Y129-S132 VanDerWaalsContact O-N 3.13Å; Y129-S132 PolarHBondContact O-OG 3.28Å; Y129-I133 HydrophobicContact CD1-CD1 4.41Å; Y129-I133 HydrophobicContact CD2-CG2 4.47Å; Y129-I133 HydrophobicContact CE1-CD1 3.89Å; Y129-I133 HydrophobicContact CE2-CG2 3.9Å; Y129-I133 WeakPolarHBondContact O-CG1 3.47Å; Y129-I133 PolarHBondContact O-N 3.36Å
130L96.3Very high94.5Very high0 Ų050.5 Ų50.50%028%0.281CS..Hα-helixtrans-59-44.8178.3-69173.6000111.8V94 P114 L115 A118 I126 A127 S132 I133 G134 A135V94-L130 HydrophobicContact CG1-CD2 4.22Å; P114-L130 HydrophobicContact CB-CD1 3.86Å; P114-L130 HydrophobicContact CB-CD2 4.31Å; L115-L130 HydrophobicContact CB-CD1 4.34Å; L115-L130 HydrophobicContact CD1-CB 4.34Å; L115-L130 HydrophobicContact CD1-CD1 4.46Å; A118-L130 HydrophobicContact CB-CD1 4.33Å; I126-L130 HydrophobicContact CG2-CD1 3.96Å; I126-L130 HydrophobicContact CG2-CG 4.28Å; I126-L130 WeakPolarHBondContact O-CG 3.39Å; I126-L130 PolarHBondContact O-N 3.21Å; A127-L130 PolarHBondContact O-N 3.09Å; L130-S132 VanDerWaalsContact C-N 3.33Å; L130-S132 PolarHBondContact O-N 2.94Å; L130-I133 HydrophobicContact CD2-CD1 4.35Å; L130-I133 WeakPolarHBondContact O-CG1 3.08Å; L130-I133 PolarHBondContact O-N 3.04Å; L130-G134 PolarHBondContact O-N 2.97Å; L130-A135 VanDerWaalsContact C-CB 3.48Å; L130-A135 HydrophobicContact CB-CB 3.88Å; L130-A135 WeakPolarHBondContact O-CB 3.16Å; L130-A135 PolarHBondContact O-N 3.45Å
131L95.3Very high94.5Very high39 Ų3949.4 Ų49.420%0.20427%0.273CS..Hα-helixtrans-62.6-40.1174.8-69.7167.6000111.9L115 A127 Y129 I133 G134 P137 L164 L165L115-L131 HydrophobicContact CD1-CG 4.24Å; L115-L131 HydrophobicContact CD2-CD2 3.8Å; L115-L131 HydrophobicContact CD2-CG 4.38Å; A127-L131 WeakPolarHBondContact O-CB 3.39Å; A127-L131 VanDerWaalsContact O-CG 3.3Å; A127-L131 WeakPolarHBondContact O-CG 3.07Å; A127-L131 PolarHBondContact O-N 3.28Å; Y129-L131 PolarHBondContact O-N 3.19Å; L131-I133 PolarHBondContact O-N 2.98Å; L131-G134 PolarHBondContact O-N 2.98Å; L131-P137 HydrophobicContact CD2-CB 3.91Å; L131-P137 HydrophobicContact CD2-CG 4.3Å; L131-L164 HydrophobicContact CD1-CB 3.86Å; L131-L165 HydrophobicContact CD1-CD2 4.03Å; L131-L165 HydrophobicContact CD2-CD2 4.17Å
132S96Very high94.6Very high89 Ų8953.4 Ų53.462%0.62229%0.289SS*.Hα-helixtrans-63.7-23.1179.679.10000114K128 Y129 L130K128-S132 WeakPolarHBondContact O-CB 3.42Å; K128-S132 PolarHBondContact O-N 3.01Å; Y129-S132 WeakPolarHBondContact O-CB 3.45Å; Y129-S132 PolarHBondContact O-N 3.41Å; Y129-S132 VanDerWaalsContact O-N 3.13Å; Y129-S132 PolarHBondContact O-OG 3.28Å; L130-S132 VanDerWaalsContact C-N 3.33Å; L130-S132 PolarHBondContact O-N 2.94Å
133I95.6Very high94.6Very high62 Ų6257.5 Ų57.532%0.31831%0.314SS..THydrogen-bonded Turntrans-101.87.517863.6178000112.9V98 I104 Y129 L130 L131V98-I133 HydrophobicContact CG1-CD1 3.74Å; V98-I133 HydrophobicContact CG2-CD1 4.15Å; I104-I133 HydrophobicContact CD1-CD1 4.29Å; I104-I133 HydrophobicContact CD1-CG1 3.99Å; I104-I133 HydrophobicContact CG2-CD1 3.62Å; I104-I133 HydrophobicContact CG2-CG1 4.46Å; Y129-I133 HydrophobicContact CD1-CD1 4.41Å; Y129-I133 HydrophobicContact CD2-CG2 4.47Å; Y129-I133 HydrophobicContact CE1-CD1 3.89Å; Y129-I133 HydrophobicContact CE2-CG2 3.9Å; Y129-I133 WeakPolarHBondContact O-CG1 3.47Å; Y129-I133 PolarHBondContact O-N 3.36Å; L130-I133 HydrophobicContact CD2-CD1 4.35Å; L130-I133 WeakPolarHBondContact O-CG1 3.08Å; L130-I133 PolarHBondContact O-N 3.04Å; L131-I133 PolarHBondContact O-N 2.98Å
134G94.1Very high94.6Very high48 Ų4856.8 Ų56.850%0.49532%0.323SS..THydrogen-bonded Turntrans97.120.617200000115.7H105 L130 L131H105-G134 PolarHBondContact CE1-O 2.95Å; H105-G134 VanDerWaalsContact CE1-O 3.3Å; L130-G134 PolarHBondContact O-N 2.97Å; L131-G134 PolarHBondContact O-N 2.98Å
135A95Very high94.5Very high8 Ų859.3 Ų59.37%0.06633%0.333CS..  trans-58.6142.7168.700000110.6L115 L130 P137L115-A135 HydrophobicContact CB-CB 4.5Å; L115-A135 HydrophobicContact CD2-CB 4.15Å; L130-A135 VanDerWaalsContact C-CB 3.48Å; L130-A135 HydrophobicContact CB-CB 3.88Å; L130-A135 WeakPolarHBondContact O-CB 3.16Å; L130-A135 PolarHBondContact O-N 3.45Å; A135-P137 VanDerWaalsContact O-CD 3.28Å; A135-P137 WeakPolarHBondContact O-CD 3.13Å
136D93.3Very high94.5Very high77 Ų7755.1 Ų55.141%0.41231%0.312SS..  trans-84112.3-177.8-176.82.5000110.4Q138 A139D136-Q138 PolarHBondContact O-N 3.02Å; D136-Q138 PolarHBondContact OD1-N 3Å; D136-A139 HydrophobicContact CB-CB 4.17Å; D136-A139 PolarHBondContact O-N 2.94Å
137P92.9Very high94.3Very high41 Ų4155 Ų5527%0.26631%0.311SS..THydrogen-bonded Turntrans-70.4-12.4177.629.7-34.6000113.6L131 A135 P147 L165L131-P137 HydrophobicContact CD2-CB 3.91Å; L131-P137 HydrophobicContact CD2-CG 4.3Å; A135-P137 VanDerWaalsContact O-CD 3.28Å; A135-P137 WeakPolarHBondContact O-CD 3.13Å; P137-P147 WeakPolarHBondContact O-CD 3.49Å; P137-L165 HydrophobicContact CB-CD2 3.59Å
138Q94.1Very high94.2Very high119 Ų11956 Ų5656%0.55632%0.319SS*.THydrogen-bonded Turntrans-109.111.3-178.3-59.9-61.8-4300112.1D136 E140D136-Q138 PolarHBondContact O-N 3.02Å; D136-Q138 PolarHBondContact OD1-N 3Å; Q138-E140 PolarHBondContact O-N 2.95Å
139A93.3Very high94Very high11 Ų1156 Ų569%0.09132%0.324CS..  trans-63.4127.6174.600000109.7T113 H116 D136 P147T113-A139 HydrophobicContact CG2-CB 4.26Å; H116-A139 PolarHBondContact CE1-O 3.36Å; H116-A139 PolarHBondContact NE2-O 3.06Å; D136-A139 HydrophobicContact CB-CB 4.17Å; D136-A139 PolarHBondContact O-N 2.94Å; A139-P147 VanDerWaalsContact O-CD 3.27Å; A139-P147 WeakPolarHBondContact O-CD 3.44Å
140E94.1Very high93.7Very high114 Ų11454.9 Ų54.953%0.53332%0.321SS..  trans-92.7139.9177.2-66.8172.4-174.800110.9R107 Q138 E145 T146R107-E140 PolarHBondContact NH2-O 3.41Å; Q138-E140 PolarHBondContact O-N 2.95Å; E140-E145 WeakPolarHBondContact CA-O 3.32Å; E140-T146 HydrophobicContact CG-CG2 4.35Å
141N92.7Very high93.4Very high10 Ų1055.8 Ų55.85%0.05333%0.326CS..  trans-78-175.9167.474.22.9000111.3W112 C143 G144 E145W112-N141 PolarHBondContact NE1-ND2 2.96Å; W112-N141 VanDerWaalsContact NE1-ND2 3.18Å; N141-C143 PolarHBondContact O-N 3.35Å; N141-C143 WeakPolarHBondContact OD1-CA 3.17Å; N141-C143 VanDerWaalsContact OD1-CB 3.31Å; N141-C143 WeakPolarHBondContact OD1-CB 3.27Å; N141-C143 PolarHBondContact OD1-N 2.78Å; N141-G144 PolarHBondContact O-N 3.14Å; N141-G144 PolarHBondContact OD1-N 3.01Å; N141-G144 VanDerWaalsContact OD1-N 3.09Å; N141-E145 PolarHBondContact N-O 3.13Å; N141-E145 PolarHBondContact ND2-OE2 3.39Å; N141-E145 WeakPolarHBondContact OD1-CB 3.43Å; N141-E145 PolarHBondContact OD1-N 2.91Å; N141-E145 PolarHBondContact OD1-O 2.93Å
142E93.3Very high93Very high151 Ų15157.3 Ų57.371%0.70633%0.334SS*.THydrogen-bonded Turntrans-65-20.6178.5-71-168.6171.800114.1E110 G144E110-E142 WeakPolarHBondContact O-CB 3.47Å; E110-E142 WeakPolarHBondContact O-CG 3.49Å; E110-E142 PolarHBondContact O-N 3.09Å; E142-G144 VanDerWaalsContact C-N 3.32Å
143C92.6Very high92.4Very high100 Ų10058.2 Ų58.268%0.67634%0.338SS*.THydrogen-bonded Turntrans-83.9-5.5174.1-64.20000113.2N141 E145N141-C143 PolarHBondContact O-N 3.35Å; N141-C143 WeakPolarHBondContact OD1-CA 3.17Å; N141-C143 VanDerWaalsContact OD1-CB 3.31Å; N141-C143 WeakPolarHBondContact OD1-CB 3.27Å; N141-C143 PolarHBondContact OD1-N 2.78Å; C143-E145 VanDerWaalsContact C-N 3.33Å; C143-E145 HydrophobicContact CB-CG 3.95Å; C143-E145 WeakPolarHBondContact CB-OE2 3.32Å
144G93.1Very high91.9Very high42 Ų4263.7 Ų63.743%0.43336%0.362SS..SBendtrans77.817.4-173.900000113.7N141 E142N141-G144 PolarHBondContact O-N 3.14Å; N141-G144 PolarHBondContact OD1-N 3.01Å; N141-G144 VanDerWaalsContact OD1-N 3.09Å; E142-G144 VanDerWaalsContact C-N 3.32Å
145E92.8Very high91.4Very high72 Ų7262.2 Ų62.234%0.33634%0.344SS..  trans-90.9136.3178.6-57.2165.8126.300109.4H116 E140 N141 C143 D149 L150H116-E145 PolarHBondContact NE2-O 3.35Å; E140-E145 WeakPolarHBondContact CA-O 3.32Å; N141-E145 PolarHBondContact N-O 3.13Å; N141-E145 PolarHBondContact ND2-OE2 3.39Å; N141-E145 WeakPolarHBondContact OD1-CB 3.43Å; N141-E145 PolarHBondContact OD1-N 2.91Å; N141-E145 PolarHBondContact OD1-O 2.93Å; C143-E145 VanDerWaalsContact C-N 3.33Å; C143-E145 HydrophobicContact CB-CG 3.95Å; C143-E145 WeakPolarHBondContact CB-OE2 3.32Å; E145-D149 HydrophobicContact CB-CB 4.26Å; E145-L150 HydrophobicContact CB-CD2 4.06Å; E145-L150 HydrophobicContact CB-CG 4.26Å; E145-L150 HydrophobicContact CG-CD2 4.42Å
146T95Very high90.7Very high16 Ų1669.4 Ų69.410%0.09839%0.387CS..  trans-85.7164.9171.468.90000110.5E140 A148 D149 L150E140-T146 HydrophobicContact CG-CG2 4.35Å; T146-A148 PolarHBondContact O-N 3.41Å; T146-A148 VanDerWaalsContact O-N 3.11Å; T146-A148 PolarHBondContact OG1-N 2.9Å; T146-D149 WeakPolarHBondContact CB-OD2 3.45Å; T146-D149 PolarHBondContact N-OD2 3.41Å; T146-D149 PolarHBondContact O-N 3.47Å; T146-D149 VanDerWaalsContact OG1-CG 3.29Å; T146-D149 PolarHBondContact OG1-N 2.93Å; T146-D149 PolarHBondContact OG1-OD2 2.82Å; T146-L150 PolarHBondContact O-N 3.07Å
147P93Very high90.2Very high0 Ų066.1 Ų66.10%037%0.372CS..THydrogen-bonded Turntrans-54.7-31173.3-26.233.1000113.3L115 C119 P137 A139 L150 L165L115-P147 HydrophobicContact CB-CG 4.31Å; L115-P147 HydrophobicContact CD2-CB 4.3Å; L115-P147 HydrophobicContact CD2-CG 3.99Å; L115-P147 HydrophobicContact CG-CB 3.91Å; L115-P147 HydrophobicContact CG-CG 3.92Å; C119-P147 HydrophobicContact CB-CB 4.23Å; C119-P147 WeakPolarHBondContact CB-O 3.21Å; P137-P147 WeakPolarHBondContact O-CD 3.49Å; A139-P147 VanDerWaalsContact O-CD 3.27Å; A139-P147 WeakPolarHBondContact O-CD 3.44Å; P147-L150 PolarHBondContact O-N 3.2Å; P147-L165 HydrophobicContact CB-CD1 4.38Å
148A92.3Very high89.9Confident22 Ų2265.6 Ų65.618%0.18237%0.368CS..THydrogen-bonded Turntrans-68.4-37.8177.900000112.6T146 L150 I151 L165 V167T146-A148 PolarHBondContact O-N 3.41Å; T146-A148 VanDerWaalsContact O-N 3.11Å; T146-A148 PolarHBondContact OG1-N 2.9Å; A148-L150 PolarHBondContact O-N 3.5Å; A148-I151 WeakPolarHBondContact O-CG1 3.19Å; A148-I151 PolarHBondContact O-N 3.28Å; A148-L165 VanDerWaalsContact CA-CD1 3.48Å; A148-L165 HydrophobicContact CB-CB 4.31Å; A148-L165 HydrophobicContact CB-CD1 3.65Å; A148-V167 HydrophobicContact CB-CG2 3.75Å
149D91.2Very high89.6Confident107 Ų10770.2 Ų70.257%0.57238%0.38SS*.THydrogen-bonded Turntrans-68.1-26.6-179.9-59.5-49.9000112E145 T146E145-D149 HydrophobicContact CB-CB 4.26Å; T146-D149 WeakPolarHBondContact CB-OD2 3.45Å; T146-D149 PolarHBondContact N-OD2 3.41Å; T146-D149 PolarHBondContact O-N 3.47Å; T146-D149 VanDerWaalsContact OG1-CG 3.29Å; T146-D149 PolarHBondContact OG1-N 2.93Å; T146-D149 PolarHBondContact OG1-OD2 2.82Å
150L91.1Very high89.5Confident25 Ų2573.8 Ų73.813%0.13140%0.395CS..THydrogen-bonded Turntrans-86.2-2.5-179.5-62.9-179.1000114.2W112 H116 S120 E145 T146 P147 A148 D152W112-L150 HydrophobicContact CD2-CD1 4.2Å; W112-L150 HydrophobicContact CE3-CD1 4.37Å; W112-L150 HydrophobicContact CH2-CD1 3.85Å; W112-L150 HydrophobicContact CZ2-CD1 3.66Å; W112-L150 HydrophobicContact CZ2-CD2 4.21Å; W112-L150 HydrophobicContact CZ3-CD1 4.21Å; H116-L150 HydrophobicContact CB-CD1 3.91Å; S120-L150 WeakPolarHBondContact CA-O 3.38Å; E145-L150 HydrophobicContact CB-CD2 4.06Å; E145-L150 HydrophobicContact CB-CG 4.26Å; E145-L150 HydrophobicContact CG-CD2 4.42Å; T146-L150 PolarHBondContact O-N 3.07Å; P147-L150 PolarHBondContact O-N 3.2Å; A148-L150 PolarHBondContact O-N 3.5Å; L150-D152 PolarHBondContact O-N 2.98Å; L150-D152 VanDerWaalsContact O-N 3.12Å
151I91.4Very high89.3Confident18 Ų1868.3 Ų68.39%0.09237%0.37CS..  trans-63.4118.2-179.2-63.2169.6000109.5C119 A148 P153 V158 L161 Q162 L165C119-I151 HydrophobicContact CB-CG1 3.91Å; A148-I151 WeakPolarHBondContact O-CG1 3.19Å; A148-I151 PolarHBondContact O-N 3.28Å; I151-P153 WeakPolarHBondContact O-CD 3.31Å; I151-V158 HydrophobicContact CG2-CB 4.32Å; I151-V158 HydrophobicContact CG2-CG2 3.82Å; I151-L161 HydrophobicContact CD1-CB 3.71Å; I151-L161 HydrophobicContact CG1-CB 4.23Å; I151-L161 HydrophobicContact CG2-CB 4.41Å; I151-L161 HydrophobicContact CG2-CD1 4.22Å; I151-Q162 HydrophobicContact CD1-CG 4.1Å; I151-L165 HydrophobicContact CD1-CD1 3.9Å
152D86.6Confident89.2Confident72 Ų7271.4 Ų71.439%0.38538%0.384SS..  trans-63.2120.7173-178-8.7000109.7L150 E154 C155L150-D152 PolarHBondContact O-N 2.98Å; L150-D152 VanDerWaalsContact O-N 3.12Å; D152-E154 PolarHBondContact O-N 3.4Å; D152-E154 VanDerWaalsContact O-N 3.14Å; D152-E154 PolarHBondContact OD1-N 3.41Å; D152-C155 HydrophobicContact CB-CB 4.24Å; D152-C155 PolarHBondContact O-N 3.2Å; D152-C155 VanDerWaalsContact O-N 3.09Å; D152-C155 PolarHBondContact O-SG 2.73Å
153P83.9Confident88.9Confident107 Ų10767.1 Ų67.170%0.69538%0.38SS*.THydrogen-bonded Turntrans-61.9-20179.426.2-36.2000113.6I151I151-P153 WeakPolarHBondContact O-CD 3.31Å
154E84.4Confident88.7Confident177 Ų17765 Ų6583%0.82736%0.361SS*.THydrogen-bonded Turntrans-91.9-3179.4-59.3-166.9170.300113.2D152D152-E154 PolarHBondContact O-N 3.4Å; D152-E154 VanDerWaalsContact O-N 3.14Å; D152-E154 PolarHBondContact OD1-N 3.41Å
155C83Confident88.4Confident17 Ų1763.8 Ų63.812%0.11535%0.345CS..SBendtrans-71.5142.2-178.378.80000112.5D152 G157 V158D152-C155 HydrophobicContact CB-CB 4.24Å; D152-C155 PolarHBondContact O-N 3.2Å; D152-C155 VanDerWaalsContact O-N 3.09Å; D152-C155 PolarHBondContact O-SG 2.73Å; C155-G157 PolarHBondContact O-N 2.81Å; C155-V158 PolarHBondContact O-N 3Å; C155-V158 VanDerWaalsContact O-N 3.15Å; C155-V158 PolarHBondContact SG-N 3.35Å; C155-V158 VanDerWaalsContact SG-N 3.36Å
156T80.6Confident87.6Confident159 Ų15963 Ų6398%0.97536%0.356SS*.THydrogen-bonded Turntrans-57.8-23.2-177.9-34.70000113.3
157G82.9Confident86.3Confident9 Ų965.7 Ų65.79%0.09337%0.372CS..THydrogen-bonded Turntrans-103.87.6-176.400000115.6C155 R159 E160 L161C155-G157 PolarHBondContact O-N 2.81Å; G157-R159 VanDerWaalsContact C-N 3.31Å; G157-R159 PolarHBondContact O-N 2.87Å; G157-R159 VanDerWaalsContact O-N 3.17Å; G157-E160 PolarHBondContact O-N 3.43Å; G157-L161 PolarHBondContact O-N 2.77Å
158V87.3Confident84.3Confident29 Ų2973.3 Ų73.318%0.17641%0.408CS..Hα-helixtrans-50.2-46.5-170.561.60000113.4I151 C155 E160 L161 Q162I151-V158 HydrophobicContact CG2-CB 4.32Å; I151-V158 HydrophobicContact CG2-CG2 3.82Å; C155-V158 PolarHBondContact O-N 3Å; C155-V158 VanDerWaalsContact O-N 3.15Å; C155-V158 PolarHBondContact SG-N 3.35Å; C155-V158 VanDerWaalsContact SG-N 3.36Å; V158-E160 VanDerWaalsContact C-N 3.33Å; V158-E160 PolarHBondContact O-N 2.88Å; V158-L161 PolarHBondContact O-N 2.83Å; V158-Q162 HydrophobicContact CG2-CG 4.4Å; V158-Q162 WeakPolarHBondContact O-CB 3.46Å; V158-Q162 VanDerWaalsContact O-CG 3.3Å; V158-Q162 WeakPolarHBondContact O-CG 3.34Å; V158-Q162 PolarHBondContact O-N 2.98Å
159R87.1Confident82.4Confident217 Ų21779.3 Ų79.382%0.81944%0.437SS*.Hα-helixtrans-67-34.6-178.7-59-178.876.7159.45.6112.6G157 G163G157-R159 VanDerWaalsContact C-N 3.31Å; G157-R159 PolarHBondContact O-N 2.87Å; G157-R159 VanDerWaalsContact O-N 3.17Å; R159-G163 PolarHBondContact O-N 3.35Å; R159-G163 VanDerWaalsContact O-N 3.15Å
160E90.4Very high80.4Confident85 Ų8582.1 Ų82.140%0.39745%0.452SS..Hα-helixtrans-73.3-44177.3-176.1167.8-16800110.2P124 G157 V158 G163 L164P124-E160 HydrophobicContact CB-CB 4.03Å; P124-E160 HydrophobicContact CB-CG 3.81Å; G157-E160 PolarHBondContact O-N 3.43Å; V158-E160 VanDerWaalsContact C-N 3.33Å; V158-E160 PolarHBondContact O-N 2.88Å; E160-G163 PolarHBondContact O-N 3.5Å; E160-L164 HydrophobicContact CG-CD1 4.04Å; E160-L164 HydrophobicContact CG-CG 4.36Å; E160-L164 WeakPolarHBondContact O-CB 3.3Å; E160-L164 WeakPolarHBondContact O-CG 3.46Å; E160-L164 PolarHBondContact O-N 3.15Å
161L90.7Very high78.5Confident0 Ų083.8 Ų83.80%048%0.475CS..Hα-helixtrans-60.5-46.6176.2-72.7171.6000112.2P124 A127 I151 G157 V158 G163 L164 L165P124-L161 HydrophobicContact CB-CD2 4.19Å; P124-L161 HydrophobicContact CB-CG 4.16Å; A127-L161 HydrophobicContact CB-CD2 3.44Å; A127-L161 VanDerWaalsContact CB-CD2 3.44Å; I151-L161 HydrophobicContact CD1-CB 3.71Å; I151-L161 HydrophobicContact CG1-CB 4.23Å; I151-L161 HydrophobicContact CG2-CB 4.41Å; I151-L161 HydrophobicContact CG2-CD1 4.22Å; G157-L161 PolarHBondContact O-N 2.77Å; V158-L161 PolarHBondContact O-N 2.83Å; L161-G163 PolarHBondContact O-N 3.28Å; L161-L164 PolarHBondContact O-N 2.9Å; L161-L165 WeakPolarHBondContact O-CG 3.27Å; L161-L165 PolarHBondContact O-N 2.82Å; L161-L165 VanDerWaalsContact O-N 3.07Å
162Q89.4Confident76Confident75 Ų7587 Ų8735%0.3551%0.505SS..Hα-helixtrans-59.6-45.2175.4-74.1173.9-29.200111.8I151 V158 L164 L165 G166 V167I151-Q162 HydrophobicContact CD1-CG 4.1Å; V158-Q162 HydrophobicContact CG2-CG 4.4Å; V158-Q162 WeakPolarHBondContact O-CB 3.46Å; V158-Q162 VanDerWaalsContact O-CG 3.3Å; V158-Q162 WeakPolarHBondContact O-CG 3.34Å; V158-Q162 PolarHBondContact O-N 2.98Å; Q162-L164 VanDerWaalsContact C-N 3.35Å; Q162-L164 PolarHBondContact O-N 2.98Å; Q162-L165 PolarHBondContact O-N 3.15Å; Q162-G166 PolarHBondContact O-N 3.03Å; Q162-G166 VanDerWaalsContact O-N 3.14Å; Q162-V167 HydrophobicContact CB-CB 4.48Å; Q162-V167 PolarHBondContact O-N 3.38Å
163G88.1Confident73.9Confident60 Ų6092 Ų9262%0.61953%0.53SS*.Hα-helixtrans-65.4-34.9177.400000113.5R159 E160 L161 G166R159-G163 PolarHBondContact O-N 3.35Å; R159-G163 VanDerWaalsContact O-N 3.15Å; E160-G163 PolarHBondContact O-N 3.5Å; L161-G163 PolarHBondContact O-N 3.28Å; G163-G166 PolarHBondContact O-N 3.45Å
164L88.1Confident72.1Confident56 Ų5698 Ų9829%0.29355%0.554SS.*Hα-helixtrans-68.5-36.8176.5-75.3169.9000112.5K128 L131 E160 L161 Q162 G166K128-L164 HydrophobicContact CB-CD1 3.8Å; K128-L164 HydrophobicContact CB-CD2 4.14Å; K128-L164 HydrophobicContact CD-CD2 4.38Å; K128-L164 HydrophobicContact CG-CD1 4.48Å; K128-L164 HydrophobicContact CG-CD2 3.97Å; L131-L164 HydrophobicContact CD1-CB 3.86Å; E160-L164 HydrophobicContact CG-CD1 4.04Å; E160-L164 HydrophobicContact CG-CG 4.36Å; E160-L164 WeakPolarHBondContact O-CB 3.3Å; E160-L164 WeakPolarHBondContact O-CG 3.46Å; E160-L164 PolarHBondContact O-N 3.15Å; L161-L164 PolarHBondContact O-N 2.9Å; Q162-L164 VanDerWaalsContact C-N 3.35Å; Q162-L164 PolarHBondContact O-N 2.98Å; L164-G166 VanDerWaalsContact C-N 3.31Å
165L86.2Confident71.4Confident16 Ų1694.1 Ų94.18%0.08454%0.54CS..Hα-helixtrans-87.3-1.3-179.2-63.5175.5000113.2L115 L131 P137 P147 A148 I151 L161 Q162 V167L115-L165 HydrophobicContact CD2-CD2 4.37Å; L131-L165 HydrophobicContact CD1-CD2 4.03Å; L131-L165 HydrophobicContact CD2-CD2 4.17Å; P137-L165 HydrophobicContact CB-CD2 3.59Å; P147-L165 HydrophobicContact CB-CD1 4.38Å; A148-L165 VanDerWaalsContact CA-CD1 3.48Å; A148-L165 HydrophobicContact CB-CB 4.31Å; A148-L165 HydrophobicContact CB-CD1 3.65Å; I151-L165 HydrophobicContact CD1-CD1 3.9Å; L161-L165 WeakPolarHBondContact O-CG 3.27Å; L161-L165 PolarHBondContact O-N 2.82Å; L161-L165 VanDerWaalsContact O-N 3.07Å; Q162-L165 PolarHBondContact O-N 3.15Å; L165-V167 VanDerWaalsContact C-N 3.28Å; L165-V167 HydrophobicContact CB-CG2 3.97Å; L165-V167 PolarHBondContact O-N 2.72Å
166G77.6Confident70.8Confident55 Ų5598.1 Ų98.157%0.56756%0.563SS**THydrogen-bonded Turntrans68.428.4178.500000113Q162 G163 L164 E168Q162-G166 PolarHBondContact O-N 3.03Å; Q162-G166 VanDerWaalsContact O-N 3.14Å; G163-G166 PolarHBondContact O-N 3.45Å; L164-G166 VanDerWaalsContact C-N 3.31Å; G166-E168 PolarHBondContact O-N 3.1Å
167V66.5Low70.3Confident73 Ų7394.7 Ų94.744%0.44254%0.54SS..  trans-78.572.1170.4-154.20000106.7A148 Q162 L165A148-V167 HydrophobicContact CB-CG2 3.75Å; Q162-V167 HydrophobicContact CB-CB 4.48Å; Q162-V167 PolarHBondContact O-N 3.38Å; L165-V167 VanDerWaalsContact C-N 3.28Å; L165-V167 HydrophobicContact CB-CG2 3.97Å; L165-V167 PolarHBondContact O-N 2.72Å
168E52Low69.5Low160 Ų16099.8 Ų99.875%0.74857%0.566SS**  trans-70.4131.2171.2-62.3-167123.100107.5G166 D170G166-E168 PolarHBondContact O-N 3.1Å; E168-D170 VanDerWaalsContact C-N 3.26Å; E168-D170 PolarHBondContact O-N 3.14Å
169D51.8Low68.4Low148 Ų148104.2 Ų104.279%0.79159%0.591SS**  trans-57.490171.3-92.4-75.9000109G171D169-G171 PolarHBondContact O-N 3.28Å
170D48.8Very low67.2Low167 Ų16796.7 Ų96.789%0.89358%0.575SS**THydrogen-bonded Turntrans-68.737.4170.4-71.5-18.8000111.8E168E168-D170 VanDerWaalsContact C-N 3.26Å; E168-D170 PolarHBondContact O-N 3.14Å
171G51Low65.5Low60 Ų6097.5 Ų97.562%0.61959%0.588SS**THydrogen-bonded Turntrans-1341.8-172.500000115.4D169 L173D169-G171 PolarHBondContact O-N 3.28Å; G171-L173 VanDerWaalsContact C-N 3.3Å; G171-L173 PolarHBondContact O-N 3.08Å
172A38.8Very low63.6Low86 Ų86105 Ų10571%0.71163%0.633SS**  trans-8276.6169.800000110.8I174A172-I174 PolarHBondContact O-N 3.27Å; A172-I174 VanDerWaalsContact O-N 3.11Å
173L42.6Very low61.4Low176 Ų176107.5 Ų107.592%0.92166%0.657SS**  trans-64.8101155.8-79.1167.8000108G171G171-L173 VanDerWaalsContact C-N 3.3Å; G171-L173 PolarHBondContact O-N 3.08Å
174I46Very low59Low233 Ų233111.8 Ų111.8100%1.19566%0.66SS**  trans-78.80157.151.5166.4000110.9A172A172-I174 PolarHBondContact O-N 3.27Å; A172-I174 VanDerWaalsContact O-N 3.11Å

Retrieved 174 of 174 residues in 207 ms (Link to these results)