A0A087YMP4_POEFO Loading...

Mesoderm induction early response 1, family member 3 b

AlphaFold DB , UniProt , Accession A0A087YMP4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 524 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
1M41.1Very low52.6Low234 Ų234156.8 Ų156.8100%1.15376%0.761SS**  0157.60-74.1166.9170.400107.5
2L49.3Very low52.4Low159 Ų159153.1 Ų153.183%0.83275%0.746SS**  trans-69.2131.1162.8-88.261.3000107.9
3V54.3Low52.8Low134 Ų134152.5 Ų152.581%0.81274%0.741SS**  trans-131.6139155-175.30000104.4
4H53.8Low53.2Low152 Ų152150.4 Ų150.470%0.70473%0.729SS**  trans-77.2132.4-160.7-69.9-88.2000112.9Y6H4-Y6 HydrophobicContact CB-CD2 4.48Å; H4-Y6 PolarHBondContact O-N 2.83Å
5E50.7Low53.4Low196 Ų196150.4 Ų150.492%0.91673%0.727SS**  trans-60.5108141-68.1165.7154.200106.1
6Y52.8Low53.7Low202 Ų202150.6 Ų150.679%0.79273%0.727SS**  trans-111.1110.4163.4-136.1-93.6000106H4 D8H4-Y6 HydrophobicContact CB-CD2 4.48Å; H4-Y6 PolarHBondContact O-N 2.83Å; Y6-D8 PolarHBondContact O-N 3.03Å
7D51.8Low53.9Low128 Ų128146.7 Ų146.768%0.68472%0.719SS**  trans-86.6101.2-171.4-163.714.8000108.2E9D7-E9 PolarHBondContact O-N 3.36Å; D7-E9 WeakPolarHBondContact OD1-CG 3.19Å
8D56.1Low53.7Low110 Ų110146.6 Ų146.659%0.58872%0.721SS**THydrogen-bonded Turntrans-80.2-0.8-168.2-124.3-30.9000113.4Y6 R10 T11Y6-D8 PolarHBondContact O-N 3.03Å; D8-R10 PolarHBondContact O-N 3.42Å; D8-T11 WeakPolarHBondContact O-CB 3.36Å; D8-T11 PolarHBondContact O-N 2.92Å; D8-T11 PolarHBondContact O-OG1 3.16Å; D8-T11 PolarHBondContact OD1-OG1 2.88Å
9E57Low53.4Low139 Ų139143.6 Ų143.665%0.6571%0.708SS**Hα-helixtrans-47.1-33.5172.7-64.1-81.8129.600112.4D7 T11 L12 E13D7-E9 PolarHBondContact O-N 3.36Å; D7-E9 WeakPolarHBondContact OD1-CG 3.19Å; E9-T11 VanDerWaalsContact C-N 3.25Å; E9-T11 PolarHBondContact O-N 3.14Å; E9-L12 PolarHBondContact O-N 3.07Å; E9-L12 VanDerWaalsContact O-N 3.12Å; E9-E13 PolarHBondContact O-N 3.18Å
10R55.1Low53.2Low181 Ų181144.6 Ų144.668%0.68372%0.717SS**Hα-helixtrans-63.1-28.5178.5-170.3169.6-171.6-100-18.1113.7D8 L12 E14D8-R10 PolarHBondContact O-N 3.42Å; R10-L12 VanDerWaalsContact C-N 3.33Å; R10-E14 PolarHBondContact O-N 3.3Å
11T56.6Low53.4Low90 Ų90140 Ų14055%0.55271%0.705SS**Hα-helixtrans-74.4-29.8177.9-52.20000110.8D8 E9D8-T11 WeakPolarHBondContact O-CB 3.36Å; D8-T11 PolarHBondContact O-N 2.92Å; D8-T11 PolarHBondContact O-OG1 3.16Å; D8-T11 PolarHBondContact OD1-OG1 2.88Å; E9-T11 VanDerWaalsContact C-N 3.25Å; E9-T11 PolarHBondContact O-N 3.14Å
12L50.2Low54.3Low112 Ų112136.9 Ų136.959%0.58668%0.681SS**Hα-helixtrans-80.8-41.6178.7-160.9158000111.6E9 R10 E14 E15 E16E9-L12 PolarHBondContact O-N 3.07Å; E9-L12 VanDerWaalsContact O-N 3.12Å; R10-L12 VanDerWaalsContact C-N 3.33Å; L12-E14 VanDerWaalsContact C-N 3.26Å; L12-E14 PolarHBondContact O-N 3.11Å; L12-E15 PolarHBondContact O-N 3.21Å; L12-E16 PolarHBondContact O-N 2.77Å; L12-E16 VanDerWaalsContact O-N 3.08Å
13E58Low54.8Low145 Ų145134.7 Ų134.768%0.67867%0.67SS**Hα-helixtrans-61.9-30.5174.7-168.8-178.3-143.500112.5E9E9-E13 PolarHBondContact O-N 3.18Å
14E58.4Low55.5Low123 Ų123134.9 Ų134.958%0.57566%0.66SS**Hα-helixtrans-75.4-32.8175.9-166.8160.5-177.900112.3R10 L12 S17R10-E14 PolarHBondContact O-N 3.3Å; L12-E14 VanDerWaalsContact C-N 3.26Å; L12-E14 PolarHBondContact O-N 3.11Å; E14-S17 PolarHBondContact O-OG 2.99Å
15E55.9Low56.6Low151 Ų151131.6 Ų131.671%0.70665%0.654SS**Hα-helixtrans-75.3-40.8177.8-168.1165.7-136.400112.5L12 S17 L18L12-E15 PolarHBondContact O-N 3.21Å; E15-S17 PolarHBondContact O-N 3.49Å; E15-L18 PolarHBondContact O-N 2.98Å
16E57.4Low57.7Low154 Ų154125.6 Ų125.672%0.7263%0.634SS**Hα-helixtrans-61.6-29.3175.1-168.9172.9-137.500112L12 L18L12-E16 PolarHBondContact O-N 2.77Å; L12-E16 VanDerWaalsContact O-N 3.08Å; E16-L18 PolarHBondContact O-N 3.47Å; E16-L18 VanDerWaalsContact O-N 3.12Å
17S57.8Low59Low84 Ų84121.2 Ų121.259%0.58762%0.621SS**THydrogen-bonded Turntrans-68.1-7.517982.60000115.5E14 E15E14-S17 PolarHBondContact O-OG 2.99Å; E15-S17 PolarHBondContact O-N 3.49Å
18L49.9Very low60.3Low144 Ų144120.6 Ų120.675%0.75462%0.617SS**THydrogen-bonded Turntrans-104.9-14.5-176-77.5162.2000114.7E15 E16E15-L18 PolarHBondContact O-N 2.98Å; E16-L18 PolarHBondContact O-N 3.47Å; E16-L18 VanDerWaalsContact O-N 3.12Å
19D48.9Very low61.6Low90 Ų90117.5 Ų117.548%0.48161%0.607SS.*SBendtrans-87.3-12.8-177.4-159.829.3000114.1G21 R22D19-G21 PolarHBondContact O-N 3.07Å; D19-R22 IonicContact OD1-CZ 3.21Å; D19-R22 IonicContact OD1-NE 2.7Å; D19-R22 PolarHBondContact OD1-NE 2.83Å; D19-R22 IonicContact OD1-NH2 2.93Å; D19-R22 PolarHBondContact OD1-NH2 2.68Å; D19-R22 IonicContact OD2-CZ 3.67Å; D19-R22 IonicContact OD2-NE 3.75Å; D19-R22 IonicContact OD2-NH2 2.75Å; D19-R22 PolarHBondContact OD2-NH2 2.97Å
20D49.4Very low62.9Low164 Ų164113.9 Ų113.988%0.87759%0.592SS**THydrogen-bonded Turntrans-73.235.8-178.6-159.130.9000113.3
21G56.6Low64.2Low47 Ų47110.2 Ų110.249%0.48559%0.585SS.*THydrogen-bonded Turntrans-153.39.1-163.700000117.1D19 N23D19-G21 PolarHBondContact O-N 3.07Å; G21-N23 PolarHBondContact O-N 2.95Å; G21-N23 PolarHBondContact O-ND2 3.43Å; G21-N23 VanDerWaalsContact O-ND2 3.13Å
22R59.5Low65.7Low169 Ų169112.5 Ų112.564%0.63859%0.59SS**  trans-66.698.3174.8-59.7-168.8-150.4-174.110.9110.7D19 F24D19-R22 IonicContact OD1-CZ 3.21Å; D19-R22 IonicContact OD1-NE 2.7Å; D19-R22 PolarHBondContact OD1-NE 2.83Å; D19-R22 IonicContact OD1-NH2 2.93Å; D19-R22 PolarHBondContact OD1-NH2 2.68Å; D19-R22 IonicContact OD2-CZ 3.67Å; D19-R22 IonicContact OD2-NE 3.75Å; D19-R22 IonicContact OD2-NH2 2.75Å; D19-R22 PolarHBondContact OD2-NH2 2.97Å; R22-F24 WeakPolarHBondContact O-CD2 3.38Å; R22-F24 WeakPolarHBondContact O-CE2 3.5Å; R22-F24 PolarHBondContact O-N 2.8Å
23N61.5Low67.3Low114 Ų114113.3 Ų113.361%0.6159%0.585SS**  trans-75.286.2-179.2-82.5-81.5000111.2G21 S25 S26G21-N23 PolarHBondContact O-N 2.95Å; G21-N23 PolarHBondContact O-ND2 3.43Å; G21-N23 VanDerWaalsContact O-ND2 3.13Å; N23-S25 PolarHBondContact O-N 3.28Å; N23-S26 PolarHBondContact O-N 3.37Å; N23-S26 PolarHBondContact O-OG 3.17Å; N23-S26 VanDerWaalsContact O-OG 3.08Å
24F68.6Low68.7Low138 Ų138109.5 Ų109.561%0.60557%0.567SS**Hα-helixtrans-51.5-16.4173-54.6-74.7000114.2R22 S26 E27 L28R22-F24 WeakPolarHBondContact O-CD2 3.38Å; R22-F24 WeakPolarHBondContact O-CE2 3.5Å; R22-F24 PolarHBondContact O-N 2.8Å; F24-S26 VanDerWaalsContact C-N 3.34Å; F24-E27 PolarHBondContact O-N 3.3Å; F24-L28 WeakPolarHBondContact O-CD1 3.5Å; F24-L28 PolarHBondContact O-N 3.44Å
25S76.6Confident69.8Low82 Ų82106.9 Ų106.957%0.57357%0.573SS**Hα-helixtrans-66.9-25.5173.753.10000114.6N23 A29N23-S25 PolarHBondContact O-N 3.28Å; S25-A29 VanDerWaalsContact O-CB 3.27Å; S25-A29 WeakPolarHBondContact O-CB 3.44Å; S25-A29 PolarHBondContact O-N 3.43Å
26S74.3Confident71.2Confident71 Ų71105.8 Ų105.850%0.49757%0.572SS.*Hα-helixtrans-75.7-46.7170.658.80000110.8N23 F24 L28 A29 D30N23-S26 PolarHBondContact O-N 3.37Å; N23-S26 PolarHBondContact O-OG 3.17Å; N23-S26 VanDerWaalsContact O-OG 3.08Å; F24-S26 VanDerWaalsContact C-N 3.34Å; S26-L28 PolarHBondContact O-N 3.1Å; S26-A29 CarbonylContact O-C 3.6Å; S26-A29 WeakPolarHBondContact O-CA 3.38Å; S26-A29 PolarHBondContact O-N 2.91Å; S26-D30 PolarHBondContact O-N 2.91Å
27E79.3Confident72.5Confident110 Ų110100.3 Ų100.351%0.51455%0.547SS..Hα-helixtrans-58.1-46.2178.1-172.1-177171.300111.9F24 A29 D30 L31F24-E27 PolarHBondContact O-N 3.3Å; E27-A29 VanDerWaalsContact C-N 3.29Å; E27-A29 PolarHBondContact O-N 3.28Å; E27-D30 PolarHBondContact O-N 3.43Å; E27-L31 HydrophobicContact CG-CD1 4.39Å; E27-L31 WeakPolarHBondContact O-CG 3.4Å; E27-L31 PolarHBondContact O-N 2.84Å
28L79Confident73.9Confident114 Ų114100.1 Ų100.160%0.59754%0.543SS*.Hα-helixtrans-61.3-35.6172.2-97.680.5000112.8F24 S26 D30 E32F24-L28 WeakPolarHBondContact O-CD1 3.5Å; F24-L28 PolarHBondContact O-N 3.44Å; S26-L28 PolarHBondContact O-N 3.1Å; L28-D30 VanDerWaalsContact C-N 3.34Å; L28-E32 VanDerWaalsContact O-CB 3.24Å; L28-E32 WeakPolarHBondContact O-CB 3.24Å; L28-E32 PolarHBondContact O-N 2.97Å
29A83.4Confident75.4Confident45 Ų4599.1 Ų99.137%0.37254%0.538SS..Hα-helixtrans-80.2-14179.500000113.7S25 S26 E27 R33S25-A29 VanDerWaalsContact O-CB 3.27Å; S25-A29 WeakPolarHBondContact O-CB 3.44Å; S25-A29 PolarHBondContact O-N 3.43Å; S26-A29 CarbonylContact O-C 3.6Å; S26-A29 WeakPolarHBondContact O-CA 3.38Å; S26-A29 PolarHBondContact O-N 2.91Å; E27-A29 VanDerWaalsContact C-N 3.29Å; E27-A29 PolarHBondContact O-N 3.28Å; A29-R33 WeakPolarHBondContact O-CB 3.4Å; A29-R33 PolarHBondContact O-NH2 2.96Å
30D83.7Confident77Confident64 Ų64101.8 Ų101.834%0.34255%0.548SS..Hα-helixtrans-79.8-51.2165.1-67.9-46.6000109.6S26 E27 L28 E32 R33 E34S26-D30 PolarHBondContact O-N 2.91Å; E27-D30 PolarHBondContact O-N 3.43Å; L28-D30 VanDerWaalsContact C-N 3.34Å; D30-E32 PolarHBondContact O-N 2.69Å; D30-R33 WeakPolarHBondContact O-CB 3.44Å; D30-R33 PolarHBondContact O-N 3.23Å; D30-R33 VanDerWaalsContact O-N 3.07Å; D30-R33 IonicContact OD1-CZ 3.11Å; D30-R33 IonicContact OD1-NH1 2.69Å; D30-R33 PolarHBondContact OD1-NH1 3.37Å; D30-R33 IonicContact OD1-NH2 2.68Å; D30-R33 PolarHBondContact OD1-NH2 3.43Å; D30-E34 PolarHBondContact O-N 3.34Å
31L84.3Confident78.6Confident103 Ų10398.9 Ų98.954%0.53953%0.529SS..Hα-helixtrans-62.3-40.3178.3-67.3171.3000113.5E27 R33 E34 G35E27-L31 HydrophobicContact CG-CD1 4.39Å; E27-L31 WeakPolarHBondContact O-CG 3.4Å; E27-L31 PolarHBondContact O-N 2.84Å; L31-R33 VanDerWaalsContact C-N 3.29Å; L31-R33 PolarHBondContact O-N 2.87Å; L31-E34 PolarHBondContact O-N 2.95Å; L31-G35 PolarHBondContact O-N 2.87Å
32E86.3Confident79.9Confident138 Ų13898.4 Ų98.465%0.64552%0.515SS*.Hα-helixtrans-67.4-30.9174.7-177.1172.1-131.800111.6L28 D30 N36L28-E32 VanDerWaalsContact O-CB 3.24Å; L28-E32 WeakPolarHBondContact O-CB 3.24Å; L28-E32 PolarHBondContact O-N 2.97Å; D30-E32 PolarHBondContact O-N 2.69Å; E32-N36 WeakPolarHBondContact CG-ND2 3.42Å; E32-N36 WeakPolarHBondContact O-CB 3.34Å; E32-N36 PolarHBondContact O-N 2.97Å; E32-N36 PolarHBondContact O-ND2 3.13Å
33R85.1Confident80.9Confident130 Ų13092.9 Ų92.949%0.49150%0.498SS..Hα-helixtrans-70.2-46.6175.9-173-166.5-44.6124.419.3111.1A29 D30 L31 N36 M37A29-R33 WeakPolarHBondContact O-CB 3.4Å; A29-R33 PolarHBondContact O-NH2 2.96Å; D30-R33 WeakPolarHBondContact O-CB 3.44Å; D30-R33 PolarHBondContact O-N 3.23Å; D30-R33 VanDerWaalsContact O-N 3.07Å; D30-R33 IonicContact OD1-CZ 3.11Å; D30-R33 IonicContact OD1-NH1 2.69Å; D30-R33 PolarHBondContact OD1-NH1 3.37Å; D30-R33 IonicContact OD1-NH2 2.68Å; D30-R33 PolarHBondContact OD1-NH2 3.43Å; L31-R33 VanDerWaalsContact C-N 3.29Å; L31-R33 PolarHBondContact O-N 2.87Å; R33-N36 PolarHBondContact O-N 2.94Å; R33-M37 WeakPolarHBondContact O-CB 3.27Å; R33-M37 PolarHBondContact O-N 2.78Å; R33-M37 VanDerWaalsContact O-N 3.11Å
34E85.9Confident82Confident65 Ų6591 Ų9130%0.30450%0.498SS..Hα-helixtrans-62.3-45.4176.1-71.2173.5-169.700111.1D30 L31 N36 M37 L42 Y46D30-E34 PolarHBondContact O-N 3.34Å; L31-E34 PolarHBondContact O-N 2.95Å; E34-N36 PolarHBondContact O-N 2.98Å; E34-M37 WeakPolarHBondContact O-CB 3.27Å; E34-M37 PolarHBondContact O-N 2.75Å; E34-L42 HydrophobicContact CB-CD2 4.08Å; E34-L42 HydrophobicContact CG-CD2 4.29Å; E34-Y46 PolarHBondContact OE1-OH 3.46Å; E34-Y46 PolarHBondContact OE2-OH 3.08Å
35G83.1Confident82.5Confident68 Ų6889 Ų8970%0.70149%0.493SS*.Hα-helixtrans-63.8-21.2177.100000115.2L31L31-G35 PolarHBondContact O-N 2.87Å
36N83.9Confident82.5Confident127 Ų12792 Ų9268%0.67949%0.493SS*.THydrogen-bonded Turntrans-100.90.5174.7-75.4-70.1000113.6E32 R33 E34E32-N36 WeakPolarHBondContact CG-ND2 3.42Å; E32-N36 WeakPolarHBondContact O-CB 3.34Å; E32-N36 PolarHBondContact O-N 2.97Å; E32-N36 PolarHBondContact O-ND2 3.13Å; R33-N36 PolarHBondContact O-N 2.94Å; E34-N36 PolarHBondContact O-N 2.98Å
37M85.4Confident82.1Confident40 Ų4099.3 Ų99.320%0.19751%0.51CS..SBendtrans-82.3143.7-176.6-175.5173.2-80.100111.7R33 E34 E41 L42 I45R33-M37 WeakPolarHBondContact O-CB 3.27Å; R33-M37 PolarHBondContact O-N 2.78Å; R33-M37 VanDerWaalsContact O-N 3.11Å; E34-M37 WeakPolarHBondContact O-CB 3.27Å; E34-M37 PolarHBondContact O-N 2.75Å; M37-E41 HydrophobicContact CE-CG 4.3Å; M37-E41 HydrophobicContact CG-CB 3.79Å; M37-E41 HydrophobicContact CG-CG 4.02Å; M37-E41 HydrophobicContact SD-CB 3.94Å; M37-E41 HydrophobicContact SD-CG 3.7Å; M37-L42 HydrophobicContact CB-CD1 4.45Å; M37-L42 HydrophobicContact CB-CD2 4.05Å; M37-L42 HydrophobicContact CB-CG 3.97Å; M37-L42 HydrophobicContact CG-CD2 4.23Å; M37-L42 HydrophobicContact CG-CG 4Å; M37-L42 HydrophobicContact SD-CD2 3.76Å; M37-L42 HydrophobicContact SD-CG 4.02Å; M37-I45 HydrophobicContact CE-CD1 3.94Å; M37-I45 HydrophobicContact SD-CD1 3.51Å; M37-I45 VanDerWaalsContact SD-CD1 3.51Å
38P87.5Confident80.7Confident79 Ų79101.9 Ų101.951%0.51352%0.516SS..  trans-59139.4172.6-23.434.7000111.9E40 E41 L42P38-E40 PolarHBondContact O-N 2.7Å; P38-E40 VanDerWaalsContact O-N 3.14Å; P38-E41 WeakPolarHBondContact O-CB 3.38Å; P38-E41 PolarHBondContact O-N 3.24Å; P38-L42 PolarHBondContact O-N 2.82Å; P38-L42 VanDerWaalsContact O-N 3.16Å
39L81.2Confident79.3Confident124 Ų124105.6 Ų105.665%0.64953%0.53SS*.Hα-helixtrans-54.6-37.5-176.9-176.862.1000113E41 L42 L43L39-E41 VanDerWaalsContact C-N 3.28Å; L39-E41 PolarHBondContact O-N 3.12Å; L39-L42 PolarHBondContact O-N 3.4Å; L39-L43 HydrophobicContact CD1-CD1 4.43Å; L39-L43 HydrophobicContact CD1-CG 4.33Å; L39-L43 HydrophobicContact CG-CD1 3.96Å; L39-L43 HydrophobicContact CG-CG 4.33Å; L39-L43 WeakPolarHBondContact O-CB 3.33Å; L39-L43 WeakPolarHBondContact O-CG 3.35Å; L39-L43 PolarHBondContact O-N 2.93Å
40E82.9Confident77.3Confident146 Ų146106.3 Ų106.368%0.68254%0.536SS*.Hα-helixtrans-59.6-36.1176.6-151.374.1-160.900112.9P38 A44P38-E40 PolarHBondContact O-N 2.7Å; P38-E40 VanDerWaalsContact O-N 3.14Å; E40-A44 PolarHBondContact O-N 3.22Å
41E82.8Confident75.2Confident103 Ų103109.6 Ų109.648%0.48156%0.564SS.*Hα-helixtrans-81.4-37.1-177.4-167.3176.1-176.100110.9M37 P38 L39 A44 I45M37-E41 HydrophobicContact CE-CG 4.3Å; M37-E41 HydrophobicContact CG-CB 3.79Å; M37-E41 HydrophobicContact CG-CG 4.02Å; M37-E41 HydrophobicContact SD-CB 3.94Å; M37-E41 HydrophobicContact SD-CG 3.7Å; P38-E41 WeakPolarHBondContact O-CB 3.38Å; P38-E41 PolarHBondContact O-N 3.24Å; L39-E41 VanDerWaalsContact C-N 3.28Å; L39-E41 PolarHBondContact O-N 3.12Å; E41-A44 WeakPolarHBondContact O-CB 3.35Å; E41-A44 PolarHBondContact O-N 3.33Å; E41-I45 WeakPolarHBondContact O-CG1 3.5Å; E41-I45 PolarHBondContact O-N 2.72Å
42L82.8Confident73.2Confident37 Ų37109.2 Ų109.219%0.19458%0.576CS.*Hα-helixtrans-60.1-45.7166.5-69.7172.3000111.5E34 M37 P38 L39 A44 I45 Y46E34-L42 HydrophobicContact CB-CD2 4.08Å; E34-L42 HydrophobicContact CG-CD2 4.29Å; M37-L42 HydrophobicContact CB-CD1 4.45Å; M37-L42 HydrophobicContact CB-CD2 4.05Å; M37-L42 HydrophobicContact CB-CG 3.97Å; M37-L42 HydrophobicContact CG-CD2 4.23Å; M37-L42 HydrophobicContact CG-CG 4Å; M37-L42 HydrophobicContact SD-CD2 3.76Å; M37-L42 HydrophobicContact SD-CG 4.02Å; P38-L42 PolarHBondContact O-N 2.82Å; P38-L42 VanDerWaalsContact O-N 3.16Å; L39-L42 PolarHBondContact O-N 3.4Å; L42-A44 VanDerWaalsContact C-N 3.27Å; L42-A44 PolarHBondContact O-N 3.18Å; L42-I45 PolarHBondContact O-N 2.99Å; L42-Y46 HydrophobicContact CD2-CE2 4.32Å; L42-Y46 VanDerWaalsContact O-CD2 3.27Å; L42-Y46 WeakPolarHBondContact O-CD2 3.4Å; L42-Y46 PolarHBondContact O-N 3.46Å
43L81.8Confident70.7Confident52 Ų52106.3 Ų106.327%0.27258%0.583SS.*Hα-helixtrans-61.3-36.3176.8-72.8170.7000111.5L39 Y46 R47 Y48L39-L43 HydrophobicContact CD1-CD1 4.43Å; L39-L43 HydrophobicContact CD1-CG 4.33Å; L39-L43 HydrophobicContact CG-CD1 3.96Å; L39-L43 HydrophobicContact CG-CG 4.33Å; L39-L43 WeakPolarHBondContact O-CB 3.33Å; L39-L43 WeakPolarHBondContact O-CG 3.35Å; L39-L43 PolarHBondContact O-N 2.93Å; L43-Y46 CarbonylContact O-C 3.58Å; L43-R47 PolarHBondContact O-N 3.08Å; L43-R47 VanDerWaalsContact O-N 3.1Å; L43-Y48 HydrophobicContact CD2-CD1 3.99Å; L43-Y48 HydrophobicContact CD2-CD2 4.45Å; L43-Y48 HydrophobicContact CD2-CG 3.78Å; L43-Y48 PolarHBondContact O-N 3.48Å
44A84Confident68.2Low75 Ų75105.4 Ų105.462%0.6260%0.596SS**Hα-helixtrans-65.7-43.8172.500000112.8E40 E41 L42 R47E40-A44 PolarHBondContact O-N 3.22Å; E41-A44 WeakPolarHBondContact O-CB 3.35Å; E41-A44 PolarHBondContact O-N 3.33Å; L42-A44 VanDerWaalsContact C-N 3.27Å; L42-A44 PolarHBondContact O-N 3.18Å; A44-R47 PolarHBondContact O-N 3.4Å
45I79.6Confident65.7Low96 Ų96107.2 Ų107.249%0.49262%0.616SS.*Hα-helixtrans-62-47.2177.3-70.3168.8000111.2M37 E41 L42 R47M37-I45 HydrophobicContact CE-CD1 3.94Å; M37-I45 HydrophobicContact SD-CD1 3.51Å; M37-I45 VanDerWaalsContact SD-CD1 3.51Å; E41-I45 WeakPolarHBondContact O-CG1 3.5Å; E41-I45 PolarHBondContact O-N 2.72Å; L42-I45 PolarHBondContact O-N 2.99Å; I45-R47 PolarHBondContact O-N 3.03Å
46Y75.6Confident63.5Low144 Ų144111.4 Ų111.457%0.56562%0.621SS**THydrogen-bonded Turntrans-87.519.9179.1-62-73.4000113.7E34 L42 L43 Y48E34-Y46 PolarHBondContact OE1-OH 3.46Å; E34-Y46 PolarHBondContact OE2-OH 3.08Å; L42-Y46 HydrophobicContact CD2-CE2 4.32Å; L42-Y46 VanDerWaalsContact O-CD2 3.27Å; L42-Y46 WeakPolarHBondContact O-CD2 3.4Å; L42-Y46 PolarHBondContact O-N 3.46Å; L43-Y46 CarbonylContact O-C 3.58Å; Y46-Y48 PolarHBondContact O-N 3.08Å
47R66.7Low60.9Low226 Ų226112.3 Ų112.385%0.85363%0.626SS**THydrogen-bonded Turntrans52.750.2170.3-158-170.4-661680.6115.1L43 A44 I45L43-R47 PolarHBondContact O-N 3.08Å; L43-R47 VanDerWaalsContact O-N 3.1Å; A44-R47 PolarHBondContact O-N 3.4Å; I45-R47 PolarHBondContact O-N 3.03Å
48Y50.8Low58.4Low164 Ų164115 Ų11564%0.64365%0.649SS**  trans-102.380.2171.8-156.4-84.1000110L43 Y46 A50L43-Y48 HydrophobicContact CD2-CD1 3.99Å; L43-Y48 HydrophobicContact CD2-CD2 4.45Å; L43-Y48 HydrophobicContact CD2-CG 3.78Å; L43-Y48 PolarHBondContact O-N 3.48Å; Y46-Y48 PolarHBondContact O-N 3.08Å; Y48-A50 PolarHBondContact O-N 3.35Å
49E47.7Very low55.8Low191 Ų191117.1 Ų117.189%0.89367%0.665SS**  trans-69.396.4172.2-77.6-161.8-179.900110.4S51E49-S51 PolarHBondContact O-N 3.5Å
50A42.5Very low53.4Low61 Ų61116.7 Ų116.750%0.50467%0.672SS.*  trans-70.890.2174.200000110.7Y48 A52Y48-A50 PolarHBondContact O-N 3.35Å; A50-A52 VanDerWaalsContact C-N 3.29Å; A50-A52 PolarHBondContact O-N 3.11Å
51S39.5Very low50.8Low132 Ų132113.3 Ų113.392%0.92368%0.677SS**  trans-67.884.9173.1-170.50000111.1E49E49-S51 PolarHBondContact O-N 3.5Å
52A41.9Very low48.3Very low95 Ų95115.9 Ų115.979%0.78569%0.694SS**  trans-118.991.4-176.400000111.3A50A50-A52 VanDerWaalsContact C-N 3.29Å; A50-A52 PolarHBondContact O-N 3.11Å
53G32.9Very low46.3Very low77 Ų77121 Ų12179%0.79472%0.721SS**  trans-103.9103.5178.200000113.7
54S32.6Very low44Very low111 Ų111124.5 Ų124.578%0.77674%0.744SS**  trans5.8113.1149.3-178.50000116.9
55S34.8Very low41.6Very low104 Ų104127.9 Ų127.973%0.72775%0.752SS**  7513872.4-168.20000115.9
56I36.5Very low39.4Very low156 Ų156131.8 Ų131.880%0.877%0.768SS**  trans75.1123.2159.8-155.5148.4000122.5
57D28.5Very low37.5Very low146 Ų146132.1 Ų132.178%0.78178%0.779SS**  trans79.4174.2153.5-131.2-13.6000122.2
58S33.8Very low36.6Very low97 Ų97126.9 Ų126.968%0.67877%0.774SS**  trans-112.1151.8-141.7-50.30000115.3
59S33.6Very low35.9Very low122 Ų122124.9 Ų124.985%0.85378%0.775SS**  trans75.1146.5139.8-161.20000121.2
60S29.3Very low35.3Very low115 Ų115124 Ų12480%0.80477%0.773SS**  trans99.2104.5144.3-167.40000120.8
61G29.5Very low35.4Very low75 Ų75125.9 Ų125.977%0.77378%0.778SS**  trans80.1165.8152.700000116.6
62D30.4Very low35.5Very low157 Ų157127.5 Ų127.584%0.8478%0.775SS**  cis-153.1179.6-16.4-161.84.3000108.9
63L40.7Very low35.7Very low145 Ų145130.1 Ų130.176%0.75978%0.776SS**  trans-84.2-171.9-167.8-64.4168.6000115.7
64T33.7Very low36.6Very low125 Ų125135.4 Ų135.477%0.76778%0.777SS**  trans81148.5175.773.90000116.2
65D33.7Very low37.6Very low146 Ų146136.5 Ų136.578%0.78177%0.77SS**  cis-165.1168.2-28.4-92.5-32.5000105.9
66E32.7Very low38.2Very low178 Ų178139.9 Ų139.983%0.83278%0.775SS**  cis-147.3-168.911.4-152.2176.8-165.100108.9
67L36.6Very low38.9Very low152 Ų152139.9 Ų139.980%0.79678%0.775SS**  trans-129.8148.8166-93.4171.1000111
68P47.4Very low39.5Very low115 Ų115137.1 Ų137.175%0.74777%0.772SS**  -126.7126.8125.435.2-28.4000109.5
69D36.4Very low40.2Very low122 Ų122140 Ų14065%0.65277%0.772SS**  58.9108.561.6-165.320.1000113.8
70M33.6Very low40.6Very low174 Ų174141.5 Ų141.586%0.85777%0.771SS**  trans-150.681.6168.2-83.3-56.8-53.100108
71T44.9Very low41.5Very low99 Ų99143.6 Ų143.661%0.60777%0.772SS**  trans-55134.8174.153.70000112.9
72L42.5Very low42Very low167 Ų167147.8 Ų147.887%0.87478%0.776SS**  trans-136.1123.8155.8-71.2177.4000108.4
73D45.7Very low42.2Very low150 Ų150145.8 Ų145.880%0.80277%0.774SS**  trans-75.7157.5-167.4-59-68.7000113.9
74K51.7Low41.9Very low187 Ų187142.8 Ų142.881%0.81378%0.778SS**SBendtrans-105.20.5-164.4-156.4173.7178.8179.60114.2
75E53.6Low41.7Very low135 Ų135145.8 Ų145.863%0.63178%0.783SS**SBendtrans-100.3-2.8-161.1-87.962.7-147.400116.5K79E75-K79 PolarHBondContact O-NZ 3.3Å
76E48.2Very low41.8Very low175 Ų175148.5 Ų148.582%0.81878%0.783SS**SBendtrans-98-31.8-170.7-159.1157.6-127.300115A78E76-A78 VanDerWaalsContact C-N 3.35Å; E76-A78 PolarHBondContact O-N 2.96Å
77I49.4Very low41.9Very low156 Ų156149.1 Ų149.180%0.879%0.786SS**G310 helixtrans-69.4-29.5-176.4-60175.7000112.7K79I77-K79 PolarHBondContact O-N 3.3Å
78A42.2Very low42Very low87 Ų87150.9 Ų150.972%0.71979%0.791SS**G310 helixtrans-7715.5-168.600000116.1E76E76-A78 VanDerWaalsContact C-N 3.35Å; E76-A78 PolarHBondContact O-N 2.96Å
79K47.3Very low41.5Very low158 Ų158153.5 Ų153.569%0.68779%0.793SS**G310 helixtrans-115.5-13.6-172.5-72.8173.2-174.9120.90115.7E75 I77E75-K79 PolarHBondContact O-NZ 3.3Å; I77-K79 PolarHBondContact O-N 3.3Å
80D43Very low41.5Very low154 Ų154155 Ų15582%0.82481%0.806SS**THydrogen-bonded Turntrans-92-2.7-173.2-12734.3000114.2
81L47.5Very low41.5Very low158 Ų158155.3 Ų155.383%0.82781%0.806SS**THydrogen-bonded Turntrans-110.410-172.7-62.7179.8000115.1
82L40.2Very low41Very low164 Ų164156.1 Ų156.186%0.85982%0.816SS**  trans-135.273-177.2-73.1177.8000113.1
83S36.1Very low41Very low115 Ų115153.2 Ų153.280%0.80481%0.809SS**  trans-144.784.8173.166.90000114.9
84G32.8Very low40.7Very low81 Ų81150 Ų15084%0.83580%0.803SS**  trans80.7141.6169.400000114.4
85H29.2Very low40.2Very low188 Ų188148.9 Ų148.987%0.8781%0.806SS**  cis-138.7153.736.2-152.1-68.6000111.6
86Y36.4Very low39.2Very low203 Ų203149.3 Ų149.380%0.79681%0.813SS**  trans-108.4169.6169.9-78.9-82.4000111
87E35.3Very low38.7Very low191 Ų191148 Ų14889%0.89381%0.811SS**  trans70.8148.2176-62.7162.3-149.500112.9
88E37.8Very low38.4Very low190 Ų190146.4 Ų146.489%0.88881%0.808SS**  cis-132156.226.9-164.8170.2-155.600113.4
89E37.6Very low38.2Very low169 Ų169148.1 Ų148.179%0.7981%0.812SS**  trans-83153.7176.8-56-178.4126.700112.1
90T36.4Very low37.6Very low153 Ų153145 Ų14594%0.93981%0.811SS**  trans-157.6153.8141-3.90000112.9
91Q33.6Very low37.4Very low182 Ų182144.3 Ų144.385%0.8581%0.812SS**  trans-104147-166.1-57.6162.7-22.800112.3
92S34.8Very low36.8Very low116 Ų116142.6 Ų142.681%0.81181%0.808SS**  trans-161.2141137.1-167.70000113.5
93S41.8Very low36.7Very low106 Ų106140 Ų14074%0.74180%0.804SS**  trans-72.3173.3162.448.80000112.9
94A39.5Very low36.7Very low82 Ų82143.1 Ų143.168%0.67881%0.805SS**  cis-177.9163.5-25.500000108.1
95D41.5Very low36.9Very low163 Ų163146.7 Ų146.787%0.87280%0.8SS**  trans56.2145.6172.4-60-24.8000116.5
96D33.6Very low37.6Very low145 Ų145143.8 Ų143.878%0.77580%0.796SS**  cis-150.9179.441.3-155.2-13.8000112.9
97L36.2Very low38Very low148 Ų148139 Ų13978%0.77579%0.787SS**  trans-59.7137.9-167.2-62157.1000117
98T43.3Very low38.3Very low121 Ų121136.4 Ų136.474%0.74278%0.78SS**  -178.5128124.422.40000112.8S100T98-S100 PolarHBondContact O-N 2.89Å; T98-S100 VanDerWaalsContact O-N 3.08Å
99P38.2Very low38.6Very low124 Ų124135.4 Ų135.481%0.80577%0.773SS**  trans-82.977.6169.534.1-33.4000110.8V101P99-V101 PolarHBondContact O-N 3.12Å; P99-V101 VanDerWaalsContact O-N 3.11Å
100S34.4Very low39Very low93 Ų93134.6 Ų134.665%0.6577%0.767SS**  trans-74.198173.5-69.20000110.4T98 T102T98-S100 PolarHBondContact O-N 2.89Å; T98-S100 VanDerWaalsContact O-N 3.08Å; S100-T102 VanDerWaalsContact C-N 3.33Å; S100-T102 PolarHBondContact O-N 3.3Å
101V39.4Very low39.3Very low139 Ų139132.4 Ų132.484%0.84276%0.755SS**  trans-69.389.8172.5-178.10000109.2P99P99-V101 PolarHBondContact O-N 3.12Å; P99-V101 VanDerWaalsContact O-N 3.11Å
102T35.4Very low40Very low121 Ų121134.4 Ų134.474%0.74276%0.755SS**PPolyproline II helixtrans-72.4122.7165.351.20000108.6S100 H104S100-T102 VanDerWaalsContact C-N 3.33Å; S100-T102 PolarHBondContact O-N 3.3Å; T102-H104 PolarHBondContact O-N 3.49Å
103S37.5Very low40.2Very low111 Ų111135 Ų13578%0.77675%0.754SS**PPolyproline II helixtrans-52.9128.5-176.449.40000113
104H35.8Very low40.1Very low180 Ų180138.3 Ų138.383%0.83376%0.763SS**PPolyproline II helixtrans-57.8144.9158.4-104.3-98.3000110.1T102 T106T102-H104 PolarHBondContact O-N 3.49Å; H104-T106 PolarHBondContact O-N 3.02Å
105E36.4Very low40.2Very low156 Ų156145.5 Ų145.573%0.72977%0.772SS**  trans-72.8109.9-178.1-155.5-176.5119.400110.3T107E105-T107 VanDerWaalsContact C-N 3.25Å; E105-T107 HydrophobicContact CG-CG2 3.97Å; E105-T107 WeakPolarHBondContact CG-OG1 3.24Å; E105-T107 PolarHBondContact O-N 2.75Å; E105-T107 PolarHBondContact OE1-OG1 3.21Å
106T45.3Very low39.9Very low127 Ų127143 Ų14378%0.77977%0.768SS**  trans-85.26717958.90000110.8H104H104-T106 PolarHBondContact O-N 3.02Å
107T43.4Very low40.2Very low102 Ų102143.6 Ų143.663%0.62677%0.771SS**  trans-113.217.7-177.538.10000113.9E105E105-T107 VanDerWaalsContact C-N 3.25Å; E105-T107 HydrophobicContact CG-CG2 3.97Å; E105-T107 WeakPolarHBondContact CG-OG1 3.24Å; E105-T107 PolarHBondContact O-N 2.75Å; E105-T107 PolarHBondContact OE1-OG1 3.21Å
108D43.3Very low40.3Very low136 Ų136140.8 Ų140.873%0.72777%0.769SS**  trans-132.957.4-179.2-128.7-29.4000114
109F43.5Very low40.4Very low170 Ų170143.1 Ų143.175%0.74678%0.775SS**SBendtrans-90.8107.1165-99-93.9000110.2
110F45Very low40.3Very low151 Ų151142.6 Ų142.666%0.66277%0.774SS**  trans80.778.9171.3-47-68.8000118.9R112F110-R112 PolarHBondContact O-N 2.7Å
111P42.9Very low40.5Very low108 Ų108145.7 Ų145.770%0.70178%0.783SS**  trans-70.672.9147.832.1-34.6000110.5T113P111-T113 PolarHBondContact O-N 2.64Å
112R47.9Very low40.6Very low223 Ų223141.9 Ų141.984%0.84277%0.773SS**  trans-93.471.4170.9-85.8-161.4-179.2-167.83.9111.5F110F110-R112 PolarHBondContact O-N 2.7Å
113T39.1Very low40.7Very low129 Ų129143 Ų14379%0.79177%0.774SS**  trans-113.798.516341.10000109.4P111P111-T113 PolarHBondContact O-N 2.64Å
114L40.8Very low41.1Very low176 Ų176145.3 Ų145.392%0.92177%0.77SS**  trans-66.6138.9167-79.2170.2000109
115R42.2Very low41.2Very low233 Ų233144.5 Ų144.588%0.87977%0.766SS**  trans-63.5136.1-166.9-63.6175.8178.4152.6-2.4112.9
116S33.7Very low41.4Very low111 Ų111142.8 Ų142.878%0.77677%0.772SS**  trans-122.8116.1146.147.50000108.5A118S116-A118 VanDerWaalsContact C-N 3.3Å; S116-A118 PolarHBondContact O-N 2.84Å
117N40Very low41.3Very low157 Ų157145.9 Ų145.984%0.8478%0.777SS**  trans-75.684.3174-80.513.4000109.3
118A37.7Very low41.3Very low88 Ų88146.2 Ų146.273%0.72778%0.782SS**  trans-83.1131.1160.100000108.9S116 S120S116-A118 VanDerWaalsContact C-N 3.3Å; S116-A118 PolarHBondContact O-N 2.84Å; A118-S120 PolarHBondContact O-N 2.85Å; A118-S120 VanDerWaalsContact O-N 3.11Å
119I45.4Very low41.3Very low171 Ų171145.6 Ų145.688%0.87778%0.779SS**  trans-72.6103.4173.2-57.3167.4000106.8D121I119-D121 PolarHBondContact O-N 2.89Å
120S37.9Very low41.8Very low113 Ų113145.3 Ų145.379%0.7979%0.786SS**  trans-72.6115.2168.8-169.50000108.2A118A118-S120 PolarHBondContact O-N 2.85Å; A118-S120 VanDerWaalsContact O-N 3.11Å
121D37.9Very low42.2Very low157 Ų157145.3 Ų145.384%0.8479%0.792SS**  trans-60.8152.5169.2-1580.1000109.9I119I119-D121 PolarHBondContact O-N 2.89Å
122G42Very low42.8Very low60 Ų60142.5 Ų142.562%0.61978%0.783SS**  trans-106.3131.5-15900000114.8
123D36.4Very low43.1Very low143 Ų143138 Ų13877%0.76578%0.782SS**  trans-146.7101.1152.1-128.8-1.5000111
124K46.9Very low43.8Very low160 Ų160135 Ų13570%0.69677%0.766SS**  43.6128.9117.1-74.2173.9152.9-82.20118.7
125E38.1Very low44.6Very low163 Ų163131.5 Ų131.576%0.76275%0.754SS**  cis-151.7143.70.1-48.2-169.2142.100108.9
126S40.2Very low45.3Very low120 Ų120126.7 Ų126.784%0.83975%0.746SS**  trans-145.2124.1166.8620000111.4
127E43.6Very low46.3Very low193 Ų193126.3 Ų126.390%0.90274%0.735SS**  trans-88.5137.9-176.4179.8-178.5-179.500111.5
128C41.7Very low47.2Very low108 Ų108123.7 Ų123.773%0.7373%0.729SS**  trans62.9145.4-178.2-105.30000115.6
129D43.6Very low48.3Very low124 Ų124122.8 Ų122.866%0.66373%0.728SS**  cis-124.4154.112.2-74.7-56.2000113.4L131D129-L131 HydrophobicContact CB-CG 3.9Å; D129-L131 PolarHBondContact O-N 2.92Å
130D55Low49.8Very low164 Ų164122.1 Ų122.188%0.87772%0.719SS**  trans-7666.5164.5-177.231.9000110.7G132D130-G132 PolarHBondContact O-N 2.95Å
131L52.5Low52.1Low150 Ų150124.3 Ų124.379%0.78572%0.717SS**  trans-83.592.4169.1-66.3-178.7000109.3D129D129-L131 HydrophobicContact CB-CG 3.9Å; D129-L131 PolarHBondContact O-N 2.92Å
132G56.6Low54.5Low50 Ų50124.1 Ų124.152%0.51571%0.714SS.*PPolyproline II helixtrans-50.9153.9166.200000111.9D130 S134D130-G132 PolarHBondContact O-N 2.95Å; G132-S134 PolarHBondContact O-N 3.48Å
133P53.9Low57Low129 Ų129126 Ų12684%0.83871%0.708SS**PPolyproline II helixtrans-53.3123.1-16721-33.7000112
134S53.7Low59.6Low65 Ų65124.7 Ų124.746%0.45571%0.705SS.*PPolyproline II helixtrans-56.1134.2-175.5178.70000111G132 D136 D137G132-S134 PolarHBondContact O-N 3.48Å; S134-D136 PolarHBondContact O-N 3.24Å; S134-D136 VanDerWaalsContact O-N 3.11Å; S134-D136 PolarHBondContact OG-N 3.32Å; S134-D136 PolarHBondContact OG-OD2 3.24Å; S134-D137 PolarHBondContact O-N 3.3Å; S134-D137 VanDerWaalsContact O-N 3.13Å
135P57.1Low61.8Low103 Ų103117.8 Ų117.867%0.66968%0.679SS**G310 helixtrans-60.1-21.1176.426-35000112.9D137 S138P135-D137 PolarHBondContact O-N 2.94Å; P135-S138 WeakPolarHBondContact O-CB 3.43Å; P135-S138 PolarHBondContact O-N 3.39Å; P135-S138 PolarHBondContact O-OG 3.02Å
136D56.8Low64.4Low132 Ų132114.7 Ų114.771%0.70668%0.682SS**G310 helixtrans-64.1-20.4177.4-62.2-45.9000113.5S134 S138 G139S134-D136 PolarHBondContact O-N 3.24Å; S134-D136 VanDerWaalsContact O-N 3.11Å; S134-D136 PolarHBondContact OG-N 3.32Å; S134-D136 PolarHBondContact OG-OD2 3.24Å; D136-S138 PolarHBondContact O-N 3.03Å; D136-G139 PolarHBondContact O-N 2.9Å
137D55.7Low67Low102 Ų102115.9 Ų115.955%0.54567%0.674SS.*G310 helixtrans-72.7-16.8174.9-137.745.2000112.2S134 P135 G139 K140S134-D137 PolarHBondContact O-N 3.3Å; S134-D137 VanDerWaalsContact O-N 3.13Å; P135-D137 PolarHBondContact O-N 2.94Å; D137-G139 PolarHBondContact O-N 3.38Å; D137-K140 PolarHBondContact O-N 3.42Å; D137-K140 WeakPolarHBondContact OD1-CD 3.33Å; D137-K140 VanDerWaalsContact OD1-CE 3.28Å; D137-K140 WeakPolarHBondContact OD1-CE 3.5Å; D137-K140 IonicContact OD1-NZ 2.67Å; D137-K140 PolarHBondContact OD1-NZ 3.32Å
138S57.9Low69.3Low102 Ų102112.7 Ų112.771%0.71365%0.654SS**G310 helixtrans-71.1-8172.195.10000113.3P135 D136 K140P135-S138 WeakPolarHBondContact O-CB 3.43Å; P135-S138 PolarHBondContact O-N 3.39Å; P135-S138 PolarHBondContact O-OG 3.02Å; D136-S138 PolarHBondContact O-N 3.03Å; S138-K140 PolarHBondContact O-N 3.25Å
139G61.9Low71.9Confident69 Ų69112.4 Ų112.471%0.71164%0.642SS**G310 helixtrans-78.6-2.1172.800000114.5D136 D137D136-G139 PolarHBondContact O-N 2.9Å; D137-G139 PolarHBondContact O-N 3.38Å
140K75.8Confident74.3Confident157 Ų157110.7 Ų110.768%0.68365%0.646SS**G310 helixtrans-105.221.1-173.8-59.3176.6-170.2163.60113.8D137 S138D137-K140 PolarHBondContact O-N 3.42Å; D137-K140 WeakPolarHBondContact OD1-CD 3.33Å; D137-K140 VanDerWaalsContact OD1-CE 3.28Å; D137-K140 WeakPolarHBondContact OD1-CE 3.5Å; D137-K140 IonicContact OD1-NZ 2.67Å; D137-K140 PolarHBondContact OD1-NZ 3.32Å; S138-K140 PolarHBondContact O-N 3.25Å
141E86.1Confident76.1Confident160 Ų160111.9 Ų111.975%0.74865%0.646SS**  trans-70.5144172.9-171.8163.5-154.600111.4M143E141-M143 PolarHBondContact O-N 2.66Å
142I89.9Confident77.8Confident153 Ų153110.6 Ų110.679%0.78564%0.644SS**  trans-78.4107.4177.1-60.5176.4000108.1
143M92.9Very high79.3Confident100 Ų100113 Ų11349%0.49365%0.651SS.*  trans-64.1135.3-179.2-57.5-54.9-66.700112E141 Y148E141-M143 PolarHBondContact O-N 2.66Å; M143-Y148 HydrophobicContact CB-CD1 3.54Å; M143-Y148 HydrophobicContact CB-CD2 3.64Å; M143-Y148 HydrophobicContact CB-CE1 3.7Å; M143-Y148 HydrophobicContact CB-CE2 3.8Å; M143-Y148 HydrophobicContact CB-CG 3.52Å; M143-Y148 HydrophobicContact CE-CE1 4.42Å; M143-Y148 HydrophobicContact CE-CE2 3.88Å; M143-Y148 WeakPolarHBondContact CE-OH 3.37Å; M143-Y148 HydrophobicContact CG-CD1 4.18Å; M143-Y148 HydrophobicContact CG-CE1 3.91Å; M143-Y148 HydrophobicContact CG-CE2 4.47Å
144V92.6Very high80.6Confident114 Ų114113.5 Ų113.569%0.69166%0.657SS**  trans-125.6121-178172.70000109.8
145G92.9Very high81.8Confident15 Ų15112.7 Ų112.716%0.15566%0.659CS.*SBendtrans164.8160.4-176.200000111.5E147 Y148 Q149G145-E147 VanDerWaalsContact CA-OE2 3.24Å; G145-E147 WeakPolarHBondContact CA-OE2 3.4Å; G145-E147 PolarHBondContact O-N 2.7Å; G145-Y148 PolarHBondContact O-N 3.16Å; G145-Q149 PolarHBondContact O-N 3.49Å; G145-Q149 PolarHBondContact O-OE1 3.29Å; G145-Q149 VanDerWaalsContact O-OE1 3.08Å
146A92.4Very high82.7Confident98 Ų98116.4 Ų116.481%0.8167%0.672SS**THydrogen-bonded Turntrans-68-14.3-179.400000113.4
147E93.4Very high83.1Confident145 Ų145114.8 Ų114.868%0.67867%0.67SS**THydrogen-bonded Turntrans-83.4-10.4170.369.2-86.5-135.200113.4G145G145-E147 VanDerWaalsContact CA-OE2 3.24Å; G145-E147 WeakPolarHBondContact CA-OE2 3.4Å; G145-E147 PolarHBondContact O-N 2.7Å
148Y93.8Very high83.6Confident126 Ų126118.6 Ų118.649%0.49468%0.684SS.*THydrogen-bonded Turntrans-115.6-30.9179.8-58.8-68.6000113.3M143 G145M143-Y148 HydrophobicContact CB-CD1 3.54Å; M143-Y148 HydrophobicContact CB-CD2 3.64Å; M143-Y148 HydrophobicContact CB-CE1 3.7Å; M143-Y148 HydrophobicContact CB-CE2 3.8Å; M143-Y148 HydrophobicContact CB-CG 3.52Å; M143-Y148 HydrophobicContact CE-CE1 4.42Å; M143-Y148 HydrophobicContact CE-CE2 3.88Å; M143-Y148 WeakPolarHBondContact CE-OH 3.37Å; M143-Y148 HydrophobicContact CG-CD1 4.18Å; M143-Y148 HydrophobicContact CG-CE1 3.91Å; M143-Y148 HydrophobicContact CG-CE2 4.47Å; G145-Y148 PolarHBondContact O-N 3.16Å
149Q95.7Very high84.1Confident102 Ų102119.7 Ų119.748%0.47767%0.674SS.*SBendtrans-91.5137.6177.8-77.2122.21900112.1G145G145-Q149 PolarHBondContact O-N 3.49Å; G145-Q149 PolarHBondContact O-OE1 3.29Å; G145-Q149 VanDerWaalsContact O-OE1 3.08Å
150A94.8Very high84.5Confident89 Ų89123 Ų12374%0.73667%0.669SS**PPolyproline II helixtrans-69.5143.6170.500000111.1V152A150-V152 PolarHBondContact O-N 3.25Å
151E91.2Very high84Confident188 Ų188123.8 Ų123.888%0.87968%0.68SS**PPolyproline II helixtrans-64.6124169.6-174.1174.3-17800109.5P153E151-P153 WeakPolarHBondContact O-CD 3.17Å
152V89.3Confident82.9Confident123 Ų123125.3 Ų125.375%0.74569%0.687SS**PPolyproline II helixtrans-85.9118-179.4-1800000108.9A150 S154A150-V152 PolarHBondContact O-N 3.25Å; V152-S154 PolarHBondContact O-N 3.39Å
153P87.8Confident81.6Confident102 Ų102122 Ų12266%0.66267%0.668SS**PPolyproline II helixtrans-59.4133.8178.2-24.234.8000111.5E151 G155E151-P153 WeakPolarHBondContact O-CD 3.17Å; P153-G155 PolarHBondContact O-N 3.03Å
154S80.1Confident80.2Confident138 Ų138122.7 Ų122.797%0.96567%0.669SS**SBendtrans-68.412.5-170.3-43.40000116.1V152V152-S154 PolarHBondContact O-N 3.39Å
155G79.1Confident78.8Confident48 Ų48120.2 Ų120.250%0.49565%0.654SS.*SBendtrans144.6-172.6179.700000112.4P153 C157P153-G155 PolarHBondContact O-N 3.03Å; G155-C157 VanDerWaalsContact C-N 3.32Å; G155-C157 PolarHBondContact O-N 3.2Å
156L76.4Confident77.5Confident181 Ų181125.7 Ų125.795%0.94867%0.671SS**  trans-73.887168.9-64.3176.7000109.3
157C66.6Low76.4Confident98 Ų98127.5 Ų127.566%0.66266%0.662SS**PPolyproline II helixtrans-67132.8166.3520000109.5G155 Y159G155-C157 VanDerWaalsContact C-N 3.32Å; G155-C157 PolarHBondContact O-N 3.2Å; C157-Y159 PolarHBondContact O-N 3.13Å
158H65.8Low75.4Confident182 Ų182128 Ų12884%0.84367%0.67SS**PPolyproline II helixtrans-67.3131.7158.9-69-77.6000107.7
159Y68.1Low74.7Confident125 Ų125128.3 Ų128.349%0.4968%0.68SS.*PPolyproline II helixtrans-51.6142.8161.2-59.2-78.5000108.6C157 V165 Y166C157-Y159 PolarHBondContact O-N 3.13Å; Y159-V165 HydrophobicContact CD1-CB 4.49Å; Y159-V165 HydrophobicContact CD1-CG2 3.64Å; Y159-V165 HydrophobicContact CE1-CB 4.33Å; Y159-V165 HydrophobicContact CE1-CG2 3.78Å; Y159-Y166 HydrophobicContact CE1-CE2 4.39Å; Y159-Y166 AromaticContact CZ-CE2 3.91Å; Y159-Y166 PolarHBondContact OH-OH 2.69Å
160K69.8Low74.2Confident139 Ų139129.3 Ų129.360%0.60469%0.688SS**PPolyproline II helixtrans-60.9147.7174.6-53.3172.6-160.576.60107.9E162 E163K160-E162 PolarHBondContact O-N 3.11Å; K160-E163 HydrophobicContact CB-CB 3.9Å; K160-E163 WeakPolarHBondContact CG-OE2 3.28Å; K160-E163 PolarHBondContact N-OE2 3.33Å; K160-E163 IonicContact NZ-OE1 3.21Å; K160-E163 PolarHBondContact NZ-OE1 3Å; K160-E163 IonicContact NZ-OE2 2.72Å; K160-E163 PolarHBondContact NZ-OE2 2.95Å; K160-E163 WeakPolarHBondContact O-CB 3.33Å; K160-E163 PolarHBondContact O-N 3.26Å
161D64.7Low73.8Confident174 Ų174131.4 Ų131.493%0.9368%0.683SS**THydrogen-bonded Turntrans-58.8-13.2-172.3-65.9-54.5000115.1
162E62.9Low73.6Confident192 Ų192128.9 Ų128.990%0.89768%0.675SS**THydrogen-bonded Turntrans-109.6-5.3177.1-59.6179.1-174.700113.5K160 K164K160-E162 PolarHBondContact O-N 3.11Å; E162-K164 PolarHBondContact O-N 3.18Å
163E64.2Low73.6Confident82 Ų82127.9 Ų127.938%0.38367%0.665SS.*  trans-95.574.9-170.5-171169.1-126.700111.2K160 V165K160-E163 HydrophobicContact CB-CB 3.9Å; K160-E163 WeakPolarHBondContact CG-OE2 3.28Å; K160-E163 PolarHBondContact N-OE2 3.33Å; K160-E163 IonicContact NZ-OE1 3.21Å; K160-E163 PolarHBondContact NZ-OE1 3Å; K160-E163 IonicContact NZ-OE2 2.72Å; K160-E163 PolarHBondContact NZ-OE2 2.95Å; K160-E163 WeakPolarHBondContact O-CB 3.33Å; K160-E163 PolarHBondContact O-N 3.26Å; E163-V165 VanDerWaalsContact C-N 3.25Å; E163-V165 HydrophobicContact CG-CG2 4Å; E163-V165 PolarHBondContact O-N 2.65Å
164K61.8Low73.8Confident116 Ų116127.3 Ų127.350%0.50465%0.649SS.*  trans-79.858.7-175.4-60.1-150.3-175.6-1710114.2E162 Y166 E167E162-K164 PolarHBondContact O-N 3.18Å; K164-Y166 PolarHBondContact O-N 2.92Å; K164-E167 HydrophobicContact CB-CB 4.17Å; K164-E167 HydrophobicContact CB-CG 4.48Å; K164-E167 HydrophobicContact CD-CB 4.28Å; K164-E167 HydrophobicContact CD-CG 4.06Å; K164-E167 WeakPolarHBondContact CD-OE1 3.35Å; K164-E167 WeakPolarHBondContact CD-OE2 3.25Å; K164-E167 IonicContact NZ-OE1 2.7Å; K164-E167 PolarHBondContact NZ-OE1 3.34Å; K164-E167 IonicContact NZ-OE2 2.64Å; K164-E167 PolarHBondContact NZ-OE2 3.31Å; K164-E167 PolarHBondContact O-N 3.41Å
165V63.5Low74.3Confident61 Ų61122 Ų12237%0.3761%0.613SS.*THydrogen-bonded Turntrans-42.4-40-170-177.20000114.8Y159 E163Y159-V165 HydrophobicContact CD1-CB 4.49Å; Y159-V165 HydrophobicContact CD1-CG2 3.64Å; Y159-V165 HydrophobicContact CE1-CB 4.33Å; Y159-V165 HydrophobicContact CE1-CG2 3.78Å; E163-V165 VanDerWaalsContact C-N 3.25Å; E163-V165 HydrophobicContact CG-CG2 4Å; E163-V165 PolarHBondContact O-N 2.65Å
166Y65.8Low74.7Confident131 Ų131124.1 Ų124.151%0.51462%0.618SS.*THydrogen-bonded Turntrans-99.5-9-174.4-53.4-72.2000115.7Y159 K164 D168 D170Y159-Y166 HydrophobicContact CE1-CE2 4.39Å; Y159-Y166 AromaticContact CZ-CE2 3.91Å; Y159-Y166 PolarHBondContact OH-OH 2.69Å; K164-Y166 PolarHBondContact O-N 2.92Å; Y166-D168 VanDerWaalsContact C-N 3.32Å; Y166-D168 PolarHBondContact O-N 3.47Å; Y166-D170 PolarHBondContact O-N 2.68Å
167E69.1Low75.3Confident135 Ų135123 Ų12363%0.63161%0.612SS**THydrogen-bonded Turntrans-75.2-20.6179.9-81.9-169.7-154.700113.4K164K164-E167 HydrophobicContact CB-CB 4.17Å; K164-E167 HydrophobicContact CB-CG 4.48Å; K164-E167 HydrophobicContact CD-CB 4.28Å; K164-E167 HydrophobicContact CD-CG 4.06Å; K164-E167 WeakPolarHBondContact CD-OE1 3.35Å; K164-E167 WeakPolarHBondContact CD-OE2 3.25Å; K164-E167 IonicContact NZ-OE1 2.7Å; K164-E167 PolarHBondContact NZ-OE1 3.34Å; K164-E167 IonicContact NZ-OE2 2.64Å; K164-E167 PolarHBondContact NZ-OE2 3.31Å; K164-E167 PolarHBondContact O-N 3.41Å
168D73.8Confident76.4Confident156 Ų156122.1 Ų122.183%0.83460%0.604SS**THydrogen-bonded Turntrans-94.7-17.7176.9-71.3-40.3000113.2Y166Y166-D168 VanDerWaalsContact C-N 3.32Å; Y166-D168 PolarHBondContact O-N 3.47Å
169D77.4Confident77.5Confident133 Ų133114.5 Ų114.571%0.71157%0.57SS**THydrogen-bonded Turntrans-99.8-31.1-175.3-81-17.9000114
170D86.6Confident78.6Confident122 Ų122111.8 Ų111.865%0.65257%0.568SS**  trans-108.6124.1-173-73.5-40.8000114.1Y166Y166-D170 PolarHBondContact O-N 2.68Å
171E86.3Confident79.5Confident133 Ų133110.8 Ų110.862%0.62157%0.566SS**  trans-92.9127.3170.7-172.3178.6158.500111.7L173 Y217E171-L173 HydrophobicContact CB-CD2 4.43Å; E171-L173 HydrophobicContact CG-CD2 4.02Å; E171-L173 PolarHBondContact O-N 3.24Å; E171-Y217 WeakPolarHBondContact OE1-CE2 3.37Å; E171-Y217 PolarHBondContact OE1-OH 3.4Å
172L86.9Confident80.7Confident135 Ų135107.8 Ų107.871%0.70755%0.55SS*.  trans-74.389.8177.3-178.762.8000111.9W174L172-W174 WeakPolarHBondContact CD1-O 3.48Å
173L89.9Confident82Confident103 Ų103103.7 Ų103.754%0.53953%0.529SS..  trans-78.5-20.9-175.9-63.8-179.1000115.9E171 Y217 V220E171-L173 HydrophobicContact CB-CD2 4.43Å; E171-L173 HydrophobicContact CG-CD2 4.02Å; E171-L173 PolarHBondContact O-N 3.24Å; L173-Y217 HydrophobicContact CD2-CD2 4.19Å; L173-Y217 HydrophobicContact CD2-CE2 3.78Å; L173-V220 WeakPolarHBondContact O-CG2 3.37Å
174W91.1Very high83.3Confident89 Ų89100.6 Ų100.634%0.33752%0.516SS..  trans-158.1158.8177.8-173.6-100.4000112.4L172 V184 L216 L219 V220 Y224L172-W174 WeakPolarHBondContact CD1-O 3.48Å; W174-V184 HydrophobicContact CH2-CG1 4Å; W174-V184 HydrophobicContact CH2-CG2 3.93Å; W174-V184 HydrophobicContact CZ2-CG1 4.5Å; W174-V184 HydrophobicContact CZ2-CG2 4.07Å; W174-L216 HydrophobicContact CH2-CD2 4.03Å; W174-L216 HydrophobicContact CZ3-CB 4.19Å; W174-L216 HydrophobicContact CZ3-CD2 3.86Å; W174-L219 HydrophobicContact CH2-CD2 4.2Å; W174-L219 HydrophobicContact CZ3-CD2 4.28Å; W174-V220 HydrophobicContact CD2-CG2 4.36Å; W174-V220 HydrophobicContact CE3-CG2 3.4Å; W174-V220 HydrophobicContact CZ3-CG2 3.82Å; W174-Y224 HydrophobicContact CE3-CE1 4.22Å; W174-Y224 HydrophobicContact CH2-CE1 4.13Å; W174-Y224 HydrophobicContact CZ2-CE1 4.48Å; W174-Y224 AromaticContact CZ3-CE1 3.99Å; W174-Y224 HydrophobicContact CZ3-CE1 3.99Å
175S90.1Very high84.6Confident27 Ų27100.4 Ų100.419%0.18951%0.512CS..  trans-145.3112.2176.7-43.40000110.1D177 Y224S175-D177 VanDerWaalsContact C-N 3.34Å; S175-D177 PolarHBondContact O-N 3.5Å; S175-Y224 VanDerWaalsContact CB-OH 3.25Å; S175-Y224 WeakPolarHBondContact CB-OH 3.45Å; S175-Y224 PolarHBondContact N-OH 3.32Å; S175-Y224 PolarHBondContact OG-OH 3.35Å
176P88.2Confident85.9Confident93 Ų93101.3 Ų101.360%0.60452%0.521SS*.THydrogen-bonded Turntrans-68.6-29-169.527.2-34.8000113.9V178P176-V178 VanDerWaalsContact C-N 3.3Å; P176-V178 PolarHBondContact O-N 3.49Å
177D88.2Confident87.1Confident156 Ų15695.1 Ų95.183%0.83450%0.497SS*.THydrogen-bonded Turntrans-75.6-11.8-171.7-54.2-76.7000114.8S175S175-D177 VanDerWaalsContact C-N 3.34Å; S175-D177 PolarHBondContact O-N 3.5Å
178V89.5Confident88.1Confident81 Ų8189.2 Ų89.249%0.49147%0.469SS..SBendtrans-87.4-30.2-168.9-167.40000113P176 Y224P176-V178 VanDerWaalsContact C-N 3.3Å; P176-V178 PolarHBondContact O-N 3.49Å; V178-Y224 HydrophobicContact CB-CD1 4.43Å; V178-Y224 HydrophobicContact CB-CD2 3.75Å; V178-Y224 HydrophobicContact CB-CE2 3.84Å; V178-Y224 HydrophobicContact CB-CG 4.06Å; V178-Y224 HydrophobicContact CG1-CD2 3.37Å; V178-Y224 HydrophobicContact CG1-CE2 3.94Å; V178-Y224 HydrophobicContact CG1-CG 3.73Å; V178-Y224 HydrophobicContact CG2-CD2 4.18Å; V178-Y224 HydrophobicContact CG2-CE2 3.86Å
179L89.4Confident88.9Confident22 Ų2284.2 Ų84.212%0.11545%0.447CS..SBendtrans-130.8135.3175.1-70.4-177.4000111.2K183 V184 L219 Y224L179-K183 HydrophobicContact CD2-CD 4.04Å; L179-V184 HydrophobicContact CB-CG2 3.85Å; L179-V184 HydrophobicContact CD1-CG2 4.09Å; L179-L219 HydrophobicContact CD1-CD1 4.29Å; L179-L219 HydrophobicContact CD1-CD2 3.75Å; L179-L219 HydrophobicContact CD1-CG 4.23Å; L179-Y224 HydrophobicContact CD1-CD1 3.76Å; L179-Y224 HydrophobicContact CD1-CG 4.29Å; L179-Y224 HydrophobicContact CG-CD1 3.89Å; L179-Y224 HydrophobicContact CG-CG 4.17Å
180S90.7Very high89.4Confident67 Ų6781.5 Ų81.547%0.46943%0.43SS..  trans-66.1139166.753.60000110.8N182 K183 V184S180-N182 PolarHBondContact O-N 3.09Å; S180-K183 WeakPolarHBondContact O-CB 3.44Å; S180-K183 PolarHBondContact O-N 2.83Å; S180-V184 PolarHBondContact O-N 3.1Å
181E89.2Confident89.5Confident119 Ų11975.9 Ų75.956%0.55640%0.4SS*.Hα-helixtrans-47.3-40.5-177.1-164.4-168.3-156.800113.3K183 V184 R185E181-K183 VanDerWaalsContact C-N 3.3Å; E181-K183 PolarHBondContact O-N 3.07Å; E181-V184 WeakPolarHBondContact O-CB 3.41Å; E181-V184 PolarHBondContact O-N 3.21Å; E181-V184 VanDerWaalsContact O-N 3.09Å; E181-R185 PolarHBondContact O-N 3.32Å; E181-R185 IonicContact OE1-CZ 2.94Å; E181-R185 IonicContact OE1-NH1 3.94Å; E181-R185 PolarHBondContact OE1-NH1 2.98Å; E181-R185 IonicContact OE1-NH2 3.08Å; E181-R185 PolarHBondContact OE1-NH2 3.24Å; E181-R185 IonicContact OE2-CZ 3.96Å; E181-R185 IonicContact OE2-NH1 2.67Å; E181-R185 PolarHBondContact OE2-NH1 2.87Å; E181-R185 IonicContact OE2-NH2 3.14Å; E181-R185 PolarHBondContact OE2-NH2 2.89Å
182N89.9Confident89.4Confident110 Ų11072.4 Ų72.459%0.58839%0.385SS*.Hα-helixtrans-60.1-35.3176.9-67.96.8000113.3S180 S186S180-N182 PolarHBondContact O-N 3.09Å; N182-S186 PolarHBondContact O-N 3.31Å; N182-S186 PolarHBondContact O-OG 3.42Å; N182-S186 VanDerWaalsContact O-OG 3.1Å
183K91.1Very high89.2Confident106 Ų10670.1 Ų70.146%0.46138%0.381SS..Hα-helixtrans-70.2-36.8175.3-67.2176.1-179.6174.70111.6L179 S180 E181 S186 Y187 I226L179-K183 HydrophobicContact CD2-CD 4.04Å; S180-K183 WeakPolarHBondContact O-CB 3.44Å; S180-K183 PolarHBondContact O-N 2.83Å; E181-K183 VanDerWaalsContact C-N 3.3Å; E181-K183 PolarHBondContact O-N 3.07Å; K183-S186 PolarHBondContact O-N 3.07Å; K183-Y187 WeakPolarHBondContact O-CB 3.35Å; K183-Y187 PolarHBondContact O-N 2.98Å; K183-I226 HydrophobicContact CB-CD1 4.24Å
184V90.9Very high88.8Confident17 Ų1771.1 Ų71.110%0.10338%0.377CS..Hα-helixtrans-66.8-44.3176.4-173.90000110W174 L179 S180 E181 S186 Y187 L188 L216W174-V184 HydrophobicContact CH2-CG1 4Å; W174-V184 HydrophobicContact CH2-CG2 3.93Å; W174-V184 HydrophobicContact CZ2-CG1 4.5Å; W174-V184 HydrophobicContact CZ2-CG2 4.07Å; L179-V184 HydrophobicContact CB-CG2 3.85Å; L179-V184 HydrophobicContact CD1-CG2 4.09Å; S180-V184 PolarHBondContact O-N 3.1Å; E181-V184 WeakPolarHBondContact O-CB 3.41Å; E181-V184 PolarHBondContact O-N 3.21Å; E181-V184 VanDerWaalsContact O-N 3.09Å; V184-S186 PolarHBondContact O-N 2.97Å; V184-Y187 PolarHBondContact O-N 3.05Å; V184-L188 HydrophobicContact CG1-CD1 4.4Å; V184-L188 WeakPolarHBondContact O-CG 3.28Å; V184-L188 PolarHBondContact O-N 3.01Å; V184-L216 HydrophobicContact CG1-CD2 3.55Å
185R90Very high87.9Confident112 Ų11269.8 Ų69.842%0.42338%0.379SS..Hα-helixtrans-57.2-48.1171.1-72.3-174.2177.311010.9112.2E181 Y187 L188 S189E181-R185 PolarHBondContact O-N 3.32Å; E181-R185 IonicContact OE1-CZ 2.94Å; E181-R185 IonicContact OE1-NH1 3.94Å; E181-R185 PolarHBondContact OE1-NH1 2.98Å; E181-R185 IonicContact OE1-NH2 3.08Å; E181-R185 PolarHBondContact OE1-NH2 3.24Å; E181-R185 IonicContact OE2-CZ 3.96Å; E181-R185 IonicContact OE2-NH1 2.67Å; E181-R185 PolarHBondContact OE2-NH1 2.87Å; E181-R185 IonicContact OE2-NH2 3.14Å; E181-R185 PolarHBondContact OE2-NH2 2.89Å; R185-Y187 VanDerWaalsContact C-N 3.34Å; R185-Y187 PolarHBondContact O-N 2.92Å; R185-L188 PolarHBondContact O-N 3.24Å; R185-S189 PolarHBondContact O-N 3.08Å; R185-S189 PolarHBondContact O-OG 2.9Å
186S90.3Very high86.9Confident80 Ų8071.7 Ų71.756%0.55939%0.389SS*.Hα-helixtrans-61.4-40.1176.6-63.60000112.9N182 K183 V184 S189 E190N182-S186 PolarHBondContact O-N 3.31Å; N182-S186 PolarHBondContact O-OG 3.42Å; N182-S186 VanDerWaalsContact O-OG 3.1Å; K183-S186 PolarHBondContact O-N 3.07Å; V184-S186 PolarHBondContact O-N 2.97Å; S186-S189 PolarHBondContact O-N 3.36Å; S186-E190 WeakPolarHBondContact O-CB 3.21Å; S186-E190 PolarHBondContact O-N 3.16Å
187Y91Very high85.1Confident1 Ų173.6 Ų73.60%0.00440%0.395CS..Hα-helixtrans-61.5-49.3174.8167.5-102.7000111.7K183 V184 R185 S189 E190 V191 A215 L219 I226 A229 L230K183-Y187 WeakPolarHBondContact O-CB 3.35Å; K183-Y187 PolarHBondContact O-N 2.98Å; V184-Y187 PolarHBondContact O-N 3.05Å; R185-Y187 VanDerWaalsContact C-N 3.34Å; R185-Y187 PolarHBondContact O-N 2.92Å; Y187-S189 PolarHBondContact O-N 3.38Å; Y187-E190 PolarHBondContact O-N 3.49Å; Y187-E190 VanDerWaalsContact O-N 3.16Å; Y187-V191 HydrophobicContact CD1-CG2 4.41Å; Y187-V191 HydrophobicContact CD2-CG2 4.24Å; Y187-V191 HydrophobicContact CE1-CG2 3.98Å; Y187-V191 HydrophobicContact CE2-CG2 3.79Å; Y187-V191 WeakPolarHBondContact O-CG2 3.49Å; Y187-V191 PolarHBondContact O-N 2.98Å; Y187-A215 HydrophobicContact CE1-CB 3.87Å; Y187-A215 PolarHBondContact OH-O 2.95Å; Y187-L219 HydrophobicContact CD1-CD2 3.77Å; Y187-L219 HydrophobicContact CD2-CD1 4.37Å; Y187-L219 HydrophobicContact CE1-CB 3.94Å; Y187-L219 HydrophobicContact CE1-CD2 4.01Å; Y187-L219 HydrophobicContact CE1-CG 4.4Å; Y187-L219 HydrophobicContact CE2-CD1 4.35Å; Y187-L219 HydrophobicContact CG-CD1 4.48Å; Y187-L219 HydrophobicContact CG-CD2 4.24Å; Y187-I226 HydrophobicContact CD2-CG2 3.97Å; Y187-A229 HydrophobicContact CE2-CB 3.76Å; Y187-L230 HydrophobicContact CD2-CD2 3.83Å; Y187-L230 HydrophobicContact CD2-CG 3.79Å; Y187-L230 HydrophobicContact CE2-CD2 3.76Å; Y187-L230 HydrophobicContact CE2-CG 3.7Å
188L90.3Very high83.4Confident11 Ų1175.7 Ų75.76%0.05840%0.4CS..Hα-helixtrans-63.3-39178.1-71.8174000112.4V184 R185 V191 L192 V209 D212 A215 L216V184-L188 HydrophobicContact CG1-CD1 4.4Å; V184-L188 WeakPolarHBondContact O-CG 3.28Å; V184-L188 PolarHBondContact O-N 3.01Å; R185-L188 PolarHBondContact O-N 3.24Å; L188-V191 PolarHBondContact O-N 3.04Å; L188-L192 WeakPolarHBondContact O-CB 3.39Å; L188-L192 PolarHBondContact O-N 3.03Å; L188-V209 HydrophobicContact CB-CG1 3.43Å; L188-V209 VanDerWaalsContact CB-CG1 3.43Å; L188-V209 HydrophobicContact CD1-CG1 3.94Å; L188-V209 HydrophobicContact CG-CG1 4.35Å; L188-D212 HydrophobicContact CD2-CB 4.17Å; L188-A215 HydrophobicContact CD2-CB 4.05Å; L188-L216 HydrophobicContact CD1-CD2 4.27Å; L188-L216 HydrophobicContact CD2-CD2 4.18Å; L188-L216 HydrophobicContact CD2-CG 4.24Å; L188-L216 HydrophobicContact CG-CD2 4.34Å
189S88.9Confident81.4Confident51 Ų5177 Ų7736%0.35741%0.412SS..Hα-helixtrans-62.8-41.6171.9-63.40000112.4R185 S186 Y187 L192 S193R185-S189 PolarHBondContact O-N 3.08Å; R185-S189 PolarHBondContact O-OG 2.9Å; S186-S189 PolarHBondContact O-N 3.36Å; Y187-S189 PolarHBondContact O-N 3.38Å; S189-L192 PolarHBondContact O-N 2.9Å; S189-S193 PolarHBondContact O-N 3.25Å; S189-S193 PolarHBondContact O-OG 2.86Å
190E88.3Confident79.2Confident77 Ų7780.6 Ų80.636%0.3644%0.435SS..Hα-helixtrans-70.2-36.2177.8-166.1-179.7163.900112.2S186 Y187 S193 R194 L230S186-E190 WeakPolarHBondContact O-CB 3.21Å; S186-E190 PolarHBondContact O-N 3.16Å; Y187-E190 PolarHBondContact O-N 3.49Å; Y187-E190 VanDerWaalsContact O-N 3.16Å; E190-S193 PolarHBondContact O-N 3.28Å; E190-R194 WeakPolarHBondContact O-CB 3.42Å; E190-R194 WeakPolarHBondContact O-CD 3.46Å; E190-R194 VanDerWaalsContact O-CG 3.22Å; E190-R194 WeakPolarHBondContact O-CG 3.32Å; E190-R194 PolarHBondContact O-N 2.93Å; E190-R194 IonicContact OE1-CZ 2.65Å; E190-R194 IonicContact OE1-NE 3.47Å; E190-R194 PolarHBondContact OE1-NE 3.16Å; E190-R194 IonicContact OE1-NH2 3.37Å; E190-R194 PolarHBondContact OE1-NH2 2.92Å; E190-L230 HydrophobicContact CB-CD2 4.13Å; E190-L230 VanDerWaalsContact CD-CD1 3.42Å; E190-L230 HydrophobicContact CG-CD1 4.2Å; E190-L230 HydrophobicContact CG-CD2 4.13Å; E190-L230 WeakPolarHBondContact OE1-CD1 3.41Å; E190-L230 WeakPolarHBondContact OE2-CD1 3.48Å
191V88.3Confident77Confident4 Ų481.6 Ų81.62%0.02446%0.456CS..Hα-helixtrans-56.2-53.6168.9162.20000110.2Y187 L188 S193 R194 T195 A215 L230 Y233Y187-V191 HydrophobicContact CD1-CG2 4.41Å; Y187-V191 HydrophobicContact CD2-CG2 4.24Å; Y187-V191 HydrophobicContact CE1-CG2 3.98Å; Y187-V191 HydrophobicContact CE2-CG2 3.79Å; Y187-V191 WeakPolarHBondContact O-CG2 3.49Å; Y187-V191 PolarHBondContact O-N 2.98Å; L188-V191 PolarHBondContact O-N 3.04Å; V191-S193 PolarHBondContact O-N 2.98Å; V191-R194 PolarHBondContact O-N 2.93Å; V191-R194 VanDerWaalsContact O-N 3.1Å; V191-T195 WeakPolarHBondContact O-CG2 3.41Å; V191-T195 PolarHBondContact O-N 3.49Å; V191-T195 VanDerWaalsContact O-N 3.07Å; V191-T195 PolarHBondContact O-OG1 3.25Å; V191-A215 HydrophobicContact CG1-CB 4.13Å; V191-A215 HydrophobicContact CG2-CB 4.18Å; V191-L230 HydrophobicContact CG2-CD2 3.63Å; V191-Y233 HydrophobicContact CG1-CD1 3.95Å; V191-Y233 HydrophobicContact CG1-CE1 3.4Å; V191-Y233 HydrophobicContact CG1-CE2 4.34Å; V191-Y233 HydrophobicContact CG2-CD1 4.32Å
192L85.1Confident74.4Confident59 Ų5978.9 Ų78.931%0.30945%0.449SS..Hα-helixtrans-56.9-50.7179.5-175.864.1000110.7L188 S189 R194 T195 T196 M207L188-L192 WeakPolarHBondContact O-CB 3.39Å; L188-L192 PolarHBondContact O-N 3.03Å; S189-L192 PolarHBondContact O-N 2.9Å; L192-R194 VanDerWaalsContact C-N 3.26Å; L192-R194 PolarHBondContact O-N 3.45Å; L192-T195 PolarHBondContact O-N 3.25Å; L192-T195 PolarHBondContact O-OG1 2.99Å; L192-T196 WeakPolarHBondContact CD1-OG1 3.49Å; L192-T196 PolarHBondContact O-N 3.42Å; L192-T196 PolarHBondContact O-OG1 3.2Å; L192-M207 HydrophobicContact CD2-CG 4.44Å
193S83.6Confident72.2Confident88 Ų8881.4 Ų81.462%0.61546%0.463SS*.Hα-helixtrans-55.3-36.9176.4-59.90000113.6S189 E190 V191S189-S193 PolarHBondContact O-N 3.25Å; S189-S193 PolarHBondContact O-OG 2.86Å; E190-S193 PolarHBondContact O-N 3.28Å; V191-S193 PolarHBondContact O-N 2.98Å
194R79.7Confident70.2Confident124 Ų12483.4 Ų83.447%0.46847%0.471SS..Hα-helixtrans-80.6-12.3178.8-70.7164.7173.7-112.45.2114.2E190 V191 L192E190-R194 WeakPolarHBondContact O-CB 3.42Å; E190-R194 WeakPolarHBondContact O-CD 3.46Å; E190-R194 VanDerWaalsContact O-CG 3.22Å; E190-R194 WeakPolarHBondContact O-CG 3.32Å; E190-R194 PolarHBondContact O-N 2.93Å; E190-R194 IonicContact OE1-CZ 2.65Å; E190-R194 IonicContact OE1-NE 3.47Å; E190-R194 PolarHBondContact OE1-NE 3.16Å; E190-R194 IonicContact OE1-NH2 3.37Å; E190-R194 PolarHBondContact OE1-NH2 2.92Å; V191-R194 PolarHBondContact O-N 2.93Å; V191-R194 VanDerWaalsContact O-N 3.1Å; L192-R194 VanDerWaalsContact C-N 3.26Å; L192-R194 PolarHBondContact O-N 3.45Å
195T73.9Confident67.7Low60 Ų6089 Ų8937%0.36851%0.508SS..Hα-helixtrans-103-26.417856.70000114.5V191 L192 D197 Y233V191-T195 WeakPolarHBondContact O-CG2 3.41Å; V191-T195 PolarHBondContact O-N 3.49Å; V191-T195 VanDerWaalsContact O-N 3.07Å; V191-T195 PolarHBondContact O-OG1 3.25Å; L192-T195 PolarHBondContact O-N 3.25Å; L192-T195 PolarHBondContact O-OG1 2.99Å; T195-D197 VanDerWaalsContact C-N 3.32Å; T195-D197 PolarHBondContact O-N 3.31Å; T195-Y233 HydrophobicContact CG2-CE1 3.67Å
196T67.6Low65.7Low67 Ų6787.4 Ų87.441%0.41153%0.527SS..SBendtrans-89.87.6-172.4-52.30000113.5L192L192-T196 WeakPolarHBondContact CD1-OG1 3.49Å; L192-T196 PolarHBondContact O-N 3.42Å; L192-T196 PolarHBondContact O-OG1 3.2Å
197D50.6Low64Low134 Ų13489 Ų8972%0.71753%0.527SS*.THydrogen-bonded Turntrans-61.8145.1-178.9-138.8-19.2000112.5T195 S199T195-D197 VanDerWaalsContact C-N 3.32Å; T195-D197 PolarHBondContact O-N 3.31Å; D197-S199 PolarHBondContact O-N 3.37Å
198E52.7Low62.6Low200 Ų20096 Ų9694%0.93556%0.559SS**THydrogen-bonded Turntrans63.9-9.5178.7-61.6-154.6113.300122.1
199S48.8Very low61.7Low107 Ų10797.1 Ų97.175%0.74857%0.566SS**THydrogen-bonded Turntrans-124.8-16.3-171.9-162.60000120.6D197D197-S199 PolarHBondContact O-N 3.37Å
200T42.9Very low61Low99 Ų99103.2 Ų103.261%0.60758%0.582SS**  trans-14391.3178.5-55.90000112.3C202T200-C202 HydrophobicContact CG2-CB 4.08Å; T200-C202 PolarHBondContact O-N 2.73Å
201G42.8Very low60.6Low87 Ų87105.6 Ų105.690%0.89760%0.597SS**  trans-71.393.2168.200000111.1
202C36.3Very low60.5Low63 Ų63107.4 Ų107.443%0.42661%0.607SS.*  trans-14269.9174.8-157.30000111T200 K204T200-C202 HydrophobicContact CG2-CB 4.08Å; T200-C202 PolarHBondContact O-N 2.73Å; C202-K204 VanDerWaalsContact C-N 3.27Å; C202-K204 PolarHBondContact O-N 3.11Å
203D42.2Very low60.7Low162 Ų162112.7 Ų112.787%0.86663%0.63SS**  trans-64.284.6170.5-73.8-58.3000110.8P205D203-P205 VanDerWaalsContact O-CD 3.25Å; D203-P205 WeakPolarHBondContact O-CD 3.38Å
204K50.9Low60.9Low148 Ų148111.3 Ų111.364%0.64361%0.614SS**  trans-93.3101.1167.5-74.8-178.6176.4177.10108.7C202 G206 M207C202-K204 VanDerWaalsContact C-N 3.27Å; C202-K204 PolarHBondContact O-N 3.11Å; K204-G206 PolarHBondContact O-N 2.72Å; K204-M207 PolarHBondContact O-N 2.83Å
205P38.5Very low61.4Low134 Ų134105.4 Ų105.487%0.8759%0.591SS**THydrogen-bonded Turntrans-62.8129.217426.9-33.7000109D203D203-P205 VanDerWaalsContact O-CD 3.25Å; D203-P205 WeakPolarHBondContact O-CD 3.38Å
206G47.3Very low62.3Low80 Ų80104.4 Ų104.483%0.82558%0.583SS**THydrogen-bonded Turntrans104.818.1-165.300000114.3K204 H208K204-G206 PolarHBondContact O-N 2.72Å; G206-H208 PolarHBondContact O-N 3.48Å
207M55.1Low63.4Low112 Ų112104.6 Ų104.655%0.55258%0.577SS**  trans-55.396.7173.9-159.783.17300111.5L192 K204 V209L192-M207 HydrophobicContact CD2-CG 4.44Å; K204-M207 PolarHBondContact O-N 2.83Å; M207-V209 PolarHBondContact O-N 2.88Å
208H60.8Low65.3Low148 Ų14899.1 Ų99.169%0.68555%0.547SS*.PPolyproline II helixtrans-58.2120168.2173.786.2000108.3G206 R210G206-H208 PolarHBondContact O-N 3.48Å; H208-R210 PolarHBondContact O-N 3.16Å; H208-R210 VanDerWaalsContact O-N 3.1Å
209V71.1Confident67.2Low35 Ų3589.6 Ų89.621%0.21250%0.502CS..PPolyproline II helixtrans-56.8118-179.5-1800000107.9L188 M207L188-V209 HydrophobicContact CB-CG1 3.43Å; L188-V209 VanDerWaalsContact CB-CG1 3.43Å; L188-V209 HydrophobicContact CD1-CG1 3.94Å; L188-V209 HydrophobicContact CG-CG1 4.35Å; M207-V209 PolarHBondContact O-N 2.88Å
210R74.9Confident69.3Low179 Ų17985.5 Ų85.568%0.67547%0.473SS*.PPolyproline II helixtrans-75.5130.4-179.8-67-62.5-58.2-124.3-4.9109.2H208 D212H208-R210 PolarHBondContact O-N 3.16Å; H208-R210 VanDerWaalsContact O-N 3.1Å; R210-D212 PolarHBondContact O-N 3.29Å
211D79.6Confident71.5Confident127 Ų12785.5 Ų85.568%0.67947%0.465SS*.PPolyproline II helixtrans-62.4129.9167.7-58.4-48.4000109.7
212D86.6Confident73.8Confident43 Ų4381.5 Ų81.523%0.2342%0.423CS..  trans-129.399.6172.8-177.8-28.1000107.6L188 R210 Q214 A215 L216 Y233L188-D212 HydrophobicContact CD2-CB 4.17Å; R210-D212 PolarHBondContact O-N 3.29Å; D212-Q214 PolarHBondContact O-N 3.01Å; D212-Q214 WeakPolarHBondContact OD1-CA 3.43Å; D212-Q214 WeakPolarHBondContact OD1-CB 3.45Å; D212-Q214 PolarHBondContact OD1-N 3.04Å; D212-A215 HydrophobicContact CB-CB 3.82Å; D212-A215 PolarHBondContact O-N 3.49Å; D212-A215 PolarHBondContact OD1-N 3.07Å; D212-L216 WeakPolarHBondContact O-CG 3.31Å; D212-L216 PolarHBondContact O-N 3.4Å; D212-Y233 WeakPolarHBondContact OD2-CE2 3.23Å; D212-Y233 VanDerWaalsContact OD2-CZ 3.31Å; D212-Y233 PolarHBondContact OD2-OH 2.91Å
213E89Confident76.3Confident170 Ų17085.4 Ų85.479%0.79444%0.44SS*.Hα-helixtrans-59.6-34.2-179.5-62.6174174.200111.8L216 Y217E213-L216 PolarHBondContact O-N 2.93Å; E213-Y217 VanDerWaalsContact O-CB 3.23Å; E213-Y217 WeakPolarHBondContact O-CB 3.22Å; E213-Y217 PolarHBondContact O-N 2.74Å
214Q88.6Confident78.5Confident59 Ų5978.9 Ų78.928%0.27640%0.403SS..Hα-helixtrans-73.8-33.3179.8178.661.596.600111.5D212 E218 Y233 H236D212-Q214 PolarHBondContact O-N 3.01Å; D212-Q214 WeakPolarHBondContact OD1-CA 3.43Å; D212-Q214 WeakPolarHBondContact OD1-CB 3.45Å; D212-Q214 PolarHBondContact OD1-N 3.04Å; Q214-E218 WeakPolarHBondContact O-CG 3.4Å; Q214-E218 PolarHBondContact O-N 2.97Å; Q214-E218 VanDerWaalsContact O-N 3.16Å; Q214-Y233 HydrophobicContact CB-CE2 4.43Å; Q214-Y233 HydrophobicContact CG-CD2 4.41Å; Q214-Y233 HydrophobicContact CG-CE2 4.25Å; Q214-H236 VanDerWaalsContact CD-CE1 3.48Å; Q214-H236 PolarHBondContact OE1-CE1 3.48Å
215A90.3Very high80.4Confident0 Ų074.6 Ų74.60%039%0.387CS..Hα-helixtrans-68.2-47.6170.400000111.5Y187 L188 V191 D212 Y217 E218 L219 Y233Y187-A215 HydrophobicContact CE1-CB 3.87Å; Y187-A215 PolarHBondContact OH-O 2.95Å; L188-A215 HydrophobicContact CD2-CB 4.05Å; V191-A215 HydrophobicContact CG1-CB 4.13Å; V191-A215 HydrophobicContact CG2-CB 4.18Å; D212-A215 HydrophobicContact CB-CB 3.82Å; D212-A215 PolarHBondContact O-N 3.49Å; D212-A215 PolarHBondContact OD1-N 3.07Å; A215-Y217 VanDerWaalsContact C-N 3.31Å; A215-Y217 PolarHBondContact O-N 2.86Å; A215-E218 PolarHBondContact O-N 2.94Å; A215-L219 WeakPolarHBondContact O-CB 3.44Å; A215-L219 PolarHBondContact O-N 3.43Å; A215-Y233 VanDerWaalsContact CA-CD2 3.48Å; A215-Y233 HydrophobicContact CB-CD2 3.77Å; A215-Y233 HydrophobicContact CB-CE2 3.65Å; A215-Y233 HydrophobicContact CB-CG 4.47Å
216L91.4Very high82.9Confident38 Ų3870.5 Ų70.520%0.19936%0.358CS..Hα-helixtrans-61.8-38.8177.8-65.7173.9000111.9W174 V184 L188 D212 E213 L219 V220W174-L216 HydrophobicContact CH2-CD2 4.03Å; W174-L216 HydrophobicContact CZ3-CB 4.19Å; W174-L216 HydrophobicContact CZ3-CD2 3.86Å; V184-L216 HydrophobicContact CG1-CD2 3.55Å; L188-L216 HydrophobicContact CD1-CD2 4.27Å; L188-L216 HydrophobicContact CD2-CD2 4.18Å; L188-L216 HydrophobicContact CD2-CG 4.24Å; L188-L216 HydrophobicContact CG-CD2 4.34Å; D212-L216 WeakPolarHBondContact O-CG 3.31Å; D212-L216 PolarHBondContact O-N 3.4Å; E213-L216 PolarHBondContact O-N 2.93Å; L216-L219 WeakPolarHBondContact O-CB 3.33Å; L216-L219 PolarHBondContact O-N 3.32Å; L216-V220 WeakPolarHBondContact O-CG2 3.38Å; L216-V220 PolarHBondContact O-N 2.95Å
217Y90.9Very high85Confident72 Ų7276.3 Ų76.328%0.28235%0.354SS..Hα-helixtrans-66-41.3175.9-174.1-136.9000112.9E171 L173 E213 A215 L219 V220 K221E171-Y217 WeakPolarHBondContact OE1-CE2 3.37Å; E171-Y217 PolarHBondContact OE1-OH 3.4Å; L173-Y217 HydrophobicContact CD2-CD2 4.19Å; L173-Y217 HydrophobicContact CD2-CE2 3.78Å; E213-Y217 VanDerWaalsContact O-CB 3.23Å; E213-Y217 WeakPolarHBondContact O-CB 3.22Å; E213-Y217 PolarHBondContact O-N 2.74Å; A215-Y217 VanDerWaalsContact C-N 3.31Å; A215-Y217 PolarHBondContact O-N 2.86Å; Y217-L219 VanDerWaalsContact C-N 3.32Å; Y217-L219 PolarHBondContact O-N 2.98Å; Y217-V220 PolarHBondContact O-N 3.45Å; Y217-K221 HydrophobicContact CE1-CD 4.34Å; Y217-K221 VanDerWaalsContact CE1-CE 3.47Å; Y217-K221 VanDerWaalsContact CZ-NZ 3.26Å; Y217-K221 WeakPolarHBondContact O-CG 3.45Å; Y217-K221 PolarHBondContact O-N 2.83Å; Y217-K221 WeakPolarHBondContact OH-CE 3.48Å; Y217-K221 PolarHBondContact OH-NZ 3.21Å
218E91.3Very high86.7Confident18 Ų1874.4 Ų74.48%0.08434%0.344CS..Hα-helixtrans-67.8-31.4172.7-70.7-59.5130.100112.2Q214 A215 K221 C222Q214-E218 WeakPolarHBondContact O-CG 3.4Å; Q214-E218 PolarHBondContact O-N 2.97Å; Q214-E218 VanDerWaalsContact O-N 3.16Å; A215-E218 PolarHBondContact O-N 2.94Å; E218-K221 PolarHBondContact O-N 3.16Å; E218-K221 IonicContact OE1-NZ 2.66Å; E218-C222 WeakPolarHBondContact O-CB 3.39Å; E218-C222 PolarHBondContact O-N 3.46Å; E218-C222 PolarHBondContact O-SG 3.48Å
219L92.3Very high88.2Confident0 Ų067.3 Ų67.30%031%0.312CS..Hα-helixtrans-62.9-43172.7-175.663.8000112.1W174 L179 Y187 A215 L216 Y217 C222 Y224 I226 A229W174-L219 HydrophobicContact CH2-CD2 4.2Å; W174-L219 HydrophobicContact CZ3-CD2 4.28Å; L179-L219 HydrophobicContact CD1-CD1 4.29Å; L179-L219 HydrophobicContact CD1-CD2 3.75Å; L179-L219 HydrophobicContact CD1-CG 4.23Å; Y187-L219 HydrophobicContact CD1-CD2 3.77Å; Y187-L219 HydrophobicContact CD2-CD1 4.37Å; Y187-L219 HydrophobicContact CE1-CB 3.94Å; Y187-L219 HydrophobicContact CE1-CD2 4.01Å; Y187-L219 HydrophobicContact CE1-CG 4.4Å; Y187-L219 HydrophobicContact CE2-CD1 4.35Å; Y187-L219 HydrophobicContact CG-CD1 4.48Å; Y187-L219 HydrophobicContact CG-CD2 4.24Å; A215-L219 WeakPolarHBondContact O-CB 3.44Å; A215-L219 PolarHBondContact O-N 3.43Å; L216-L219 WeakPolarHBondContact O-CB 3.33Å; L216-L219 PolarHBondContact O-N 3.32Å; Y217-L219 VanDerWaalsContact C-N 3.32Å; Y217-L219 PolarHBondContact O-N 2.98Å; L219-C222 PolarHBondContact O-N 3.1Å; L219-Y224 HydrophobicContact CG-CD1 4.29Å; L219-Y224 VanDerWaalsContact O-CA 3.28Å; L219-Y224 WeakPolarHBondContact O-CA 3.32Å; L219-Y224 PolarHBondContact O-N 2.96Å; L219-I226 HydrophobicContact CD1-CG1 4.31Å; L219-A229 HydrophobicContact CB-CB 4.17Å; L219-A229 HydrophobicContact CD1-CB 3.73Å
220V91.9Very high89.1Confident22 Ų2265.8 Ų65.813%0.13330%0.302CS..Hα-helixtrans-66.7-45.9176.3174.30000111L173 W174 L216 Y217 C222 N223 Y224L173-V220 WeakPolarHBondContact O-CG2 3.37Å; W174-V220 HydrophobicContact CD2-CG2 4.36Å; W174-V220 HydrophobicContact CE3-CG2 3.4Å; W174-V220 HydrophobicContact CZ3-CG2 3.82Å; L216-V220 WeakPolarHBondContact O-CG2 3.38Å; L216-V220 PolarHBondContact O-N 2.95Å; Y217-V220 PolarHBondContact O-N 3.45Å; V220-C222 PolarHBondContact O-N 3.34Å; V220-N223 WeakPolarHBondContact O-CA 3.48Å; V220-N223 PolarHBondContact O-N 2.95Å; V220-Y224 HydrophobicContact CG2-CE1 3.81Å
221K90.4Very high89.7Confident98 Ų9863.2 Ų63.243%0.42630%0.298SS..Hα-helixtrans-58.6-30.1174-79.5177.4169.7167.20114.3Y217 E218 N223Y217-K221 HydrophobicContact CE1-CD 4.34Å; Y217-K221 VanDerWaalsContact CE1-CE 3.47Å; Y217-K221 VanDerWaalsContact CZ-NZ 3.26Å; Y217-K221 WeakPolarHBondContact O-CG 3.45Å; Y217-K221 PolarHBondContact O-N 2.83Å; Y217-K221 WeakPolarHBondContact OH-CE 3.48Å; Y217-K221 PolarHBondContact OH-NZ 3.21Å; E218-K221 PolarHBondContact O-N 3.16Å; E218-K221 IonicContact OE1-NZ 2.66Å; K221-N223 PolarHBondContact O-N 3Å
222C90.6Very high90.1Very high4 Ų462.5 Ų62.53%0.02729%0.285CS..THydrogen-bonded Turntrans-85.918.1174.6-61.60000113E218 L219 V220 Y224 N225 E228 A229 R232E218-C222 WeakPolarHBondContact O-CB 3.39Å; E218-C222 PolarHBondContact O-N 3.46Å; E218-C222 PolarHBondContact O-SG 3.48Å; L219-C222 PolarHBondContact O-N 3.1Å; V220-C222 PolarHBondContact O-N 3.34Å; C222-Y224 PolarHBondContact O-N 2.87Å; C222-Y224 VanDerWaalsContact O-N 3.16Å; C222-N225 HydrophobicContact CB-CB 4.45Å; C222-N225 WeakPolarHBondContact O-CB 3.07Å; C222-N225 PolarHBondContact O-N 3.35Å; C222-E228 HydrophobicContact CB-CB 4.43Å; C222-A229 HydrophobicContact CB-CB 3.98Å; C222-A229 VanDerWaalsContact SG-CA 3.51Å; C222-R232 PolarHBondContact SG-NH1 3.03Å
223N89.4Confident90.2Very high144 Ų14461.1 Ų61.177%0.7728%0.277SS*.THydrogen-bonded Turntrans46.843.4-173.5-62.1107.4000112.3V220 K221 N225V220-N223 WeakPolarHBondContact O-CA 3.48Å; V220-N223 PolarHBondContact O-N 2.95Å; K221-N223 PolarHBondContact O-N 3Å; N223-N225 PolarHBondContact O-N 3.15Å
224Y88.7Confident89.9Confident25 Ų2553.8 Ų53.810%0.09824%0.244CC..THydrogen-bonded Turntrans65.315.4-179.4-53.8-85.7000115.5W174 S175 V178 L179 L219 V220 C222 I226W174-Y224 HydrophobicContact CE3-CE1 4.22Å; W174-Y224 HydrophobicContact CH2-CE1 4.13Å; W174-Y224 HydrophobicContact CZ2-CE1 4.48Å; W174-Y224 AromaticContact CZ3-CE1 3.99Å; W174-Y224 HydrophobicContact CZ3-CE1 3.99Å; S175-Y224 VanDerWaalsContact CB-OH 3.25Å; S175-Y224 WeakPolarHBondContact CB-OH 3.45Å; S175-Y224 PolarHBondContact N-OH 3.32Å; S175-Y224 PolarHBondContact OG-OH 3.35Å; V178-Y224 HydrophobicContact CB-CD1 4.43Å; V178-Y224 HydrophobicContact CB-CD2 3.75Å; V178-Y224 HydrophobicContact CB-CE2 3.84Å; V178-Y224 HydrophobicContact CB-CG 4.06Å; V178-Y224 HydrophobicContact CG1-CD2 3.37Å; V178-Y224 HydrophobicContact CG1-CE2 3.94Å; V178-Y224 HydrophobicContact CG1-CG 3.73Å; V178-Y224 HydrophobicContact CG2-CD2 4.18Å; V178-Y224 HydrophobicContact CG2-CE2 3.86Å; L179-Y224 HydrophobicContact CD1-CD1 3.76Å; L179-Y224 HydrophobicContact CD1-CG 4.29Å; L179-Y224 HydrophobicContact CG-CD1 3.89Å; L179-Y224 HydrophobicContact CG-CG 4.17Å; L219-Y224 HydrophobicContact CG-CD1 4.29Å; L219-Y224 VanDerWaalsContact O-CA 3.28Å; L219-Y224 WeakPolarHBondContact O-CA 3.32Å; L219-Y224 PolarHBondContact O-N 2.96Å; V220-Y224 HydrophobicContact CG2-CE1 3.81Å; C222-Y224 PolarHBondContact O-N 2.87Å; C222-Y224 VanDerWaalsContact O-N 3.16Å; Y224-I226 PolarHBondContact O-N 2.92Å
225N90.5Very high89.7Confident58 Ų5854.7 Ų54.731%0.3125%0.251SS..  trans-7487.4171.6-175.76.6000111.6C222 N223 R227 E228 A229C222-N225 HydrophobicContact CB-CB 4.45Å; C222-N225 WeakPolarHBondContact O-CB 3.07Å; C222-N225 PolarHBondContact O-N 3.35Å; N223-N225 PolarHBondContact O-N 3.15Å; N225-R227 PolarHBondContact O-N 3.4Å; N225-E228 HydrophobicContact CB-CB 4.1Å; N225-E228 VanDerWaalsContact ND2-CB 3.33Å; N225-E228 WeakPolarHBondContact ND2-CB 3.12Å; N225-E228 PolarHBondContact ND2-OE2 3.01Å; N225-E228 PolarHBondContact O-N 3.31Å; N225-A229 PolarHBondContact O-N 3.46Å
226I91.1Very high89.3Confident49 Ų4957.8 Ų57.825%0.25127%0.266SS..Hα-helixtrans-37.4-49.1179.8-60.4176.6000113.4K183 Y187 L219 Y224 L230K183-I226 HydrophobicContact CB-CD1 4.24Å; Y187-I226 HydrophobicContact CD2-CG2 3.97Å; L219-I226 HydrophobicContact CD1-CG1 4.31Å; Y224-I226 PolarHBondContact O-N 2.92Å; I226-L230 HydrophobicContact CG2-CD1 4.06Å; I226-L230 WeakPolarHBondContact O-CB 3.29Å; I226-L230 WeakPolarHBondContact O-CG 3.49Å; I226-L230 PolarHBondContact O-N 2.9Å
227R90Very high88.7Confident201 Ų20158.7 Ų58.776%0.75827%0.272SS*.Hα-helixtrans-69.5-40-174.9-66.1179.8-63.6-175.60.9113.1N225 E231N225-R227 PolarHBondContact O-N 3.4Å; R227-E231 PolarHBondContact O-N 3.45Å; R227-E231 VanDerWaalsContact O-N 3.17Å
228E90.9Very high88Confident72 Ų7262.7 Ų62.734%0.33629%0.291SS..Hα-helixtrans-74.6-36.5-180-170.1179.4166.100110.5C222 N225 E231 R232C222-E228 HydrophobicContact CB-CB 4.43Å; N225-E228 HydrophobicContact CB-CB 4.1Å; N225-E228 VanDerWaalsContact ND2-CB 3.33Å; N225-E228 WeakPolarHBondContact ND2-CB 3.12Å; N225-E228 PolarHBondContact ND2-OE2 3.01Å; N225-E228 PolarHBondContact O-N 3.31Å; E228-E231 PolarHBondContact O-N 3.17Å; E228-R232 WeakPolarHBondContact O-CB 3.48Å; E228-R232 WeakPolarHBondContact O-CG 3.4Å; E228-R232 PolarHBondContact O-N 2.79Å; E228-R232 IonicContact OE1-CZ 2.75Å; E228-R232 IonicContact OE1-NH1 2.7Å; E228-R232 PolarHBondContact OE1-NH1 3.49Å; E228-R232 IonicContact OE1-NH2 3.5Å; E228-R232 PolarHBondContact OE1-NH2 2.98Å
229A91.9Very high87Confident0 Ų064.8 Ų64.80%031%0.308CS..Hα-helixtrans-62.4-43.417100000112.6Y187 L219 C222 N225 E231 Y233Y187-A229 HydrophobicContact CE2-CB 3.76Å; L219-A229 HydrophobicContact CB-CB 4.17Å; L219-A229 HydrophobicContact CD1-CB 3.73Å; C222-A229 HydrophobicContact CB-CB 3.98Å; C222-A229 VanDerWaalsContact SG-CA 3.51Å; N225-A229 PolarHBondContact O-N 3.46Å; A229-E231 VanDerWaalsContact C-N 3.35Å; A229-E231 PolarHBondContact O-N 3.25Å; A229-Y233 WeakPolarHBondContact O-CB 3.44Å; A229-Y233 PolarHBondContact O-N 3.15Å
230L90.1Very high85.7Confident3 Ų366.2 Ų66.22%0.01632%0.318CS..Hα-helixtrans-59.7-45.2174.1-75.3164.3000111.2Y187 E190 V191 I226 C234Y187-L230 HydrophobicContact CD2-CD2 3.83Å; Y187-L230 HydrophobicContact CD2-CG 3.79Å; Y187-L230 HydrophobicContact CE2-CD2 3.76Å; Y187-L230 HydrophobicContact CE2-CG 3.7Å; E190-L230 HydrophobicContact CB-CD2 4.13Å; E190-L230 VanDerWaalsContact CD-CD1 3.42Å; E190-L230 HydrophobicContact CG-CD1 4.2Å; E190-L230 HydrophobicContact CG-CD2 4.13Å; E190-L230 WeakPolarHBondContact OE1-CD1 3.41Å; E190-L230 WeakPolarHBondContact OE2-CD1 3.48Å; V191-L230 HydrophobicContact CG2-CD2 3.63Å; I226-L230 HydrophobicContact CG2-CD1 4.06Å; I226-L230 WeakPolarHBondContact O-CB 3.29Å; I226-L230 WeakPolarHBondContact O-CG 3.49Å; I226-L230 PolarHBondContact O-N 2.9Å; L230-C234 VanDerWaalsContact O-CB 3.26Å; L230-C234 WeakPolarHBondContact O-CB 3.4Å; L230-C234 PolarHBondContact O-N 3.34Å; L230-C234 PolarHBondContact O-SG 3.41Å
231E88.3Confident84.1Confident125 Ų12573.7 Ų73.758%0.58435%0.348SS*.Hα-helixtrans-69-44.7-179.8-173.8168-169.800112.5R227 E228 A229 C234 N235R227-E231 PolarHBondContact O-N 3.45Å; R227-E231 VanDerWaalsContact O-N 3.17Å; E228-E231 PolarHBondContact O-N 3.17Å; A229-E231 VanDerWaalsContact C-N 3.35Å; A229-E231 PolarHBondContact O-N 3.25Å; E231-C234 PolarHBondContact O-N 2.76Å; E231-N235 WeakPolarHBondContact O-CB 3.41Å; E231-N235 VanDerWaalsContact O-CG 3.23Å; E231-N235 PolarHBondContact O-N 3.42Å; E231-N235 PolarHBondContact O-ND2 2.88Å; E231-N235 VanDerWaalsContact O-ND2 3.15Å
232R87.7Confident82Confident111 Ų11177.3 Ų77.342%0.41937%0.367SS..Hα-helixtrans-61-49.3174.9-75.4-158.7179.396.717.3111.7C222 E228 N235 H236C222-R232 PolarHBondContact SG-NH1 3.03Å; E228-R232 WeakPolarHBondContact O-CB 3.48Å; E228-R232 WeakPolarHBondContact O-CG 3.4Å; E228-R232 PolarHBondContact O-N 2.79Å; E228-R232 IonicContact OE1-CZ 2.75Å; E228-R232 IonicContact OE1-NH1 2.7Å; E228-R232 PolarHBondContact OE1-NH1 3.49Å; E228-R232 IonicContact OE1-NH2 3.5Å; E228-R232 PolarHBondContact OE1-NH2 2.98Å; R232-N235 PolarHBondContact O-N 3.24Å; R232-H236 WeakPolarHBondContact O-CB 3.38Å; R232-H236 PolarHBondContact O-N 2.87Å
233Y88.6Confident80.1Confident15 Ų1583.6 Ų83.66%0.05939%0.394CS..Hα-helixtrans-60.2-48.5177.6175.3-84.2000111.7V191 T195 D212 Q214 A215 A229 N235 H236 V237V191-Y233 HydrophobicContact CG1-CD1 3.95Å; V191-Y233 HydrophobicContact CG1-CE1 3.4Å; V191-Y233 HydrophobicContact CG1-CE2 4.34Å; V191-Y233 HydrophobicContact CG2-CD1 4.32Å; T195-Y233 HydrophobicContact CG2-CE1 3.67Å; D212-Y233 WeakPolarHBondContact OD2-CE2 3.23Å; D212-Y233 VanDerWaalsContact OD2-CZ 3.31Å; D212-Y233 PolarHBondContact OD2-OH 2.91Å; Q214-Y233 HydrophobicContact CB-CE2 4.43Å; Q214-Y233 HydrophobicContact CG-CD2 4.41Å; Q214-Y233 HydrophobicContact CG-CE2 4.25Å; A215-Y233 VanDerWaalsContact CA-CD2 3.48Å; A215-Y233 HydrophobicContact CB-CD2 3.77Å; A215-Y233 HydrophobicContact CB-CE2 3.65Å; A215-Y233 HydrophobicContact CB-CG 4.47Å; A229-Y233 WeakPolarHBondContact O-CB 3.44Å; A229-Y233 PolarHBondContact O-N 3.15Å; Y233-N235 PolarHBondContact O-N 3.34Å; Y233-H236 CarbonylContact O-C 3.19Å; Y233-H236 PolarHBondContact O-N 3.35Å; Y233-H236 VanDerWaalsContact O-N 3.11Å; Y233-V237 HydrophobicContact CD1-CG2 4Å; Y233-V237 HydrophobicContact CD2-CG2 4.47Å; Y233-V237 HydrophobicContact CE1-CG2 3.44Å; Y233-V237 VanDerWaalsContact CE1-CG2 3.44Å; Y233-V237 HydrophobicContact CE2-CG2 4.04Å; Y233-V237 HydrophobicContact CG-CG2 4.47Å; Y233-V237 VanDerWaalsContact CZ-CG2 3.5Å; Y233-V237 WeakPolarHBondContact O-CG2 3.26Å; Y233-V237 PolarHBondContact O-N 2.92Å
234C84.1Confident78.6Confident15 Ų1580 Ų8010%0.10138%0.38CS..Hα-helixtrans-59.7-35.3178.1-75.70000112.6L230 E231 K238L230-C234 VanDerWaalsContact O-CB 3.26Å; L230-C234 WeakPolarHBondContact O-CB 3.4Å; L230-C234 PolarHBondContact O-N 3.34Å; L230-C234 PolarHBondContact O-SG 3.41Å; E231-C234 PolarHBondContact O-N 2.76Å; C234-K238 VanDerWaalsContact O-CD 3.28Å; C234-K238 WeakPolarHBondContact O-CD 3.16Å; C234-K238 WeakPolarHBondContact O-CG 3.44Å; C234-K238 PolarHBondContact O-N 3.22Å
235N83.6Confident77.6Confident78 Ų7882.7 Ų82.742%0.41740%0.401SS..Hα-helixtrans-78.9-31177.2-68-25.7000112.3E231 R232 Y233 S239E231-N235 WeakPolarHBondContact O-CB 3.41Å; E231-N235 VanDerWaalsContact O-CG 3.23Å; E231-N235 PolarHBondContact O-N 3.42Å; E231-N235 PolarHBondContact O-ND2 2.88Å; E231-N235 VanDerWaalsContact O-ND2 3.15Å; R232-N235 PolarHBondContact O-N 3.24Å; Y233-N235 PolarHBondContact O-N 3.34Å; N235-S239 PolarHBondContact O-N 3.34Å; N235-S239 PolarHBondContact O-OG 3.17Å
236H81.1Confident77.1Confident66 Ų6685.2 Ų85.231%0.30642%0.42SS..Hα-helixtrans-67.9-46.5171-172.4-91.1000111.2Q214 R232 Y233 K238 S239 S240 K243Q214-H236 VanDerWaalsContact CD-CE1 3.48Å; Q214-H236 PolarHBondContact OE1-CE1 3.48Å; R232-H236 WeakPolarHBondContact O-CB 3.38Å; R232-H236 PolarHBondContact O-N 2.87Å; Y233-H236 CarbonylContact O-C 3.19Å; Y233-H236 PolarHBondContact O-N 3.35Å; Y233-H236 VanDerWaalsContact O-N 3.11Å; H236-K238 VanDerWaalsContact C-N 3.32Å; H236-K238 PolarHBondContact O-N 3.26Å; H236-S239 CarbonylContact O-C 3.44Å; H236-S239 PolarHBondContact O-N 3Å; H236-S239 VanDerWaalsContact O-N 3.1Å; H236-S239 PolarHBondContact O-OG 2.95Å; H236-S239 VanDerWaalsContact O-OG 3.11Å; H236-S240 PolarHBondContact CE1-OG 3.2Å; H236-S240 WeakPolarHBondContact O-CA 3.46Å; H236-S240 WeakPolarHBondContact O-CB 3.37Å; H236-S240 PolarHBondContact O-N 3.47Å; H236-K243 PolarHBondContact NE2-NZ 2.58Å; H236-K243 VanDerWaalsContact NE2-NZ 3.17Å
237V80.5Confident76.7Confident56 Ų5685.6 Ų85.634%0.33942%0.418SS..Hα-helixtrans-57.8-44.1175171.20000111.6Y233 S239 S240 K241Y233-V237 HydrophobicContact CD1-CG2 4Å; Y233-V237 HydrophobicContact CD2-CG2 4.47Å; Y233-V237 HydrophobicContact CE1-CG2 3.44Å; Y233-V237 VanDerWaalsContact CE1-CG2 3.44Å; Y233-V237 HydrophobicContact CE2-CG2 4.04Å; Y233-V237 HydrophobicContact CG-CG2 4.47Å; Y233-V237 VanDerWaalsContact CZ-CG2 3.5Å; Y233-V237 WeakPolarHBondContact O-CG2 3.26Å; Y233-V237 PolarHBondContact O-N 2.92Å; V237-S239 PolarHBondContact O-N 3.5Å; V237-S240 PolarHBondContact O-N 3.44Å; V237-K241 PolarHBondContact O-N 3.05Å
238K74.9Confident76.6Confident157 Ų15778.5 Ų78.568%0.68340%0.4SS*.Hα-helixtrans-61.4-27.8177.9-74.1167.2-168.6172.40114C234 H236C234-K238 VanDerWaalsContact O-CD 3.28Å; C234-K238 WeakPolarHBondContact O-CD 3.16Å; C234-K238 WeakPolarHBondContact O-CG 3.44Å; C234-K238 PolarHBondContact O-N 3.22Å; H236-K238 VanDerWaalsContact C-N 3.32Å; H236-K238 PolarHBondContact O-N 3.26Å
239S71Confident76.4Confident62 Ų6281.1 Ų81.143%0.43441%0.412SS..Hα-helixtrans-101.5-27.217951.20000113.5N235 H236 V237 K241 E242N235-S239 PolarHBondContact O-N 3.34Å; N235-S239 PolarHBondContact O-OG 3.17Å; H236-S239 CarbonylContact O-C 3.44Å; H236-S239 PolarHBondContact O-N 3Å; H236-S239 VanDerWaalsContact O-N 3.1Å; H236-S239 PolarHBondContact O-OG 2.95Å; H236-S239 VanDerWaalsContact O-OG 3.11Å; V237-S239 PolarHBondContact O-N 3.5Å; S239-K241 VanDerWaalsContact C-N 3.33Å; S239-E242 WeakPolarHBondContact O-CB 3.17Å; S239-E242 PolarHBondContact O-N 3.39Å
240S64.1Low76.2Confident30 Ų3087 Ų8721%0.2144%0.439CS..Hα-helixtrans-81-14-177.8-161.30000113H236 V237 E242 K243H236-S240 PolarHBondContact CE1-OG 3.2Å; H236-S240 WeakPolarHBondContact O-CA 3.46Å; H236-S240 WeakPolarHBondContact O-CB 3.37Å; H236-S240 PolarHBondContact O-N 3.47Å; V237-S240 PolarHBondContact O-N 3.44Å; S240-E242 PolarHBondContact O-N 3.28Å; S240-K243 PolarHBondContact O-N 3.07Å
241K58Low76.1Confident178 Ų17887.8 Ų87.877%0.77444%0.443SS*.THydrogen-bonded Turntrans-56.4-15.8166.8-167.2168.6-176.6172.40113.3V237 S239V237-K241 PolarHBondContact O-N 3.05Å; S239-K241 VanDerWaalsContact C-N 3.33Å
242E47.4Very low76.1Confident174 Ų17482.5 Ų82.581%0.81342%0.42SS*.THydrogen-bonded Turntrans-94.5-21.5176.1-167.5169.2-15700113.8S239 S240S239-E242 WeakPolarHBondContact O-CB 3.17Å; S239-E242 PolarHBondContact O-N 3.39Å; S240-E242 PolarHBondContact O-N 3.28Å
243K50.7Low76.2Confident136 Ų13683.4 Ų83.459%0.59142%0.423SS*.THydrogen-bonded Turntrans-74.1-32.4-171.1-69.8-177.7-169.6162.80114.1H236 S240H236-K243 PolarHBondContact NE2-NZ 2.58Å; H236-K243 VanDerWaalsContact NE2-NZ 3.17Å; S240-K243 PolarHBondContact O-N 3.07Å
244S57.5Low76.3Confident70 Ų7084.9 Ų84.949%0.4943%0.432SS..SBendtrans-151.6122.7164.155.80000108.4
245P68.8Low76.6Confident81 Ų8184.2 Ų84.253%0.52643%0.427SS..PPolyproline II helixtrans-65.7147.8175.327.1-33.1000109.5R277P245-R277 PolarHBondContact O-NH1 3.48Å; P245-R277 PolarHBondContact O-NH2 3.42Å
246P78.5Confident76.9Confident110 Ų11081.5 Ų81.571%0.71441%0.412SS*.PPolyproline II helixtrans-56.4152.2171.226.7-35000110S248P246-S248 PolarHBondContact O-N 3.43Å; P246-S248 VanDerWaalsContact O-N 3.1Å
247W84.1Confident77.3Confident57 Ų5782.3 Ų82.322%0.21642%0.416CS..PPolyproline II helixtrans-54.2118.2-179.3-8168.9000110.6E251 F255 V274 R277 E281 F285W247-E251 HydrophobicContact CE3-CB 3.81Å; W247-E251 HydrophobicContact CZ3-CB 4.26Å; W247-F255 HydrophobicContact CH2-CD2 4.39Å; W247-F255 HydrophobicContact CZ3-CB 4.21Å; W247-F255 HydrophobicContact CZ3-CD2 4.34Å; W247-F255 HydrophobicContact CZ3-CG 4.47Å; W247-V274 HydrophobicContact CH2-CG1 3.88Å; W247-V274 HydrophobicContact CZ3-CG1 3.8Å; W247-R277 HydrophobicContact CH2-CB 4.45Å; W247-R277 HydrophobicContact CH2-CG 4.06Å; W247-R277 HydrophobicContact CZ2-CB 4.37Å; W247-R277 HydrophobicContact CZ2-CG 3.93Å; W247-E281 HydrophobicContact CZ2-CB 4.24Å; W247-F285 HydrophobicContact CB-CD2 4.26Å; W247-F285 HydrophobicContact CB-CE2 3.92Å; W247-F285 AromaticContact CD1-CD2 3.82Å; W247-F285 HydrophobicContact CD2-CB 4.23Å; W247-F285 HydrophobicContact CD2-CD1 4.26Å; W247-F285 AromaticContact CD2-CD2 3.37Å; W247-F285 HydrophobicContact CD2-CD2 3.37Å; W247-F285 AromaticContact CD2-CE2 3.7Å; W247-F285 HydrophobicContact CD2-CE2 3.7Å; W247-F285 AromaticContact CD2-CG 3.68Å; W247-F285 HydrophobicContact CD2-CG 3.68Å; W247-F285 HydrophobicContact CD2-CZ 4.29Å; W247-F285 AromaticContact CE2-CD2 3.59Å; W247-F285 AromaticContact CE2-CG 3.61Å; W247-F285 AromaticContact CE3-CD1 3.9Å; W247-F285 HydrophobicContact CE3-CD1 3.9Å; W247-F285 AromaticContact CE3-CD2 3.78Å; W247-F285 HydrophobicContact CE3-CD2 3.78Å; W247-F285 AromaticContact CE3-CE1 3.97Å; W247-F285 HydrophobicContact CE3-CE1 3.97Å; W247-F285 AromaticContact CE3-CE2 3.86Å; W247-F285 HydrophobicContact CE3-CE2 3.86Å; W247-F285 AromaticContact CE3-CG 3.81Å; W247-F285 HydrophobicContact CE3-CG 3.81Å; W247-F285 AromaticContact CE3-CZ 3.96Å; W247-F285 HydrophobicContact CE3-CZ 3.96Å; W247-F285 AromaticContact CG-CD2 3.57Å; W247-F285 HydrophobicContact CG-CD2 3.57Å; W247-F285 AromaticContact CG-CE2 3.72Å; W247-F285 HydrophobicContact CG-CE2 3.72Å; W247-F285 HydrophobicContact CG-CG 4.36Å; W247-F285 HydrophobicContact CH2-CB 3.81Å; W247-F285 AromaticContact CH2-CD1 3.93Å; W247-F285 HydrophobicContact CH2-CD1 3.93Å; W247-F285 AromaticContact CH2-CG 3.82Å; W247-F285 HydrophobicContact CH2-CG 3.82Å; W247-F285 HydrophobicContact CZ2-CB 3.38Å; W247-F285 HydrophobicContact CZ2-CD1 4.29Å; W247-F285 HydrophobicContact CZ2-CD2 4.18Å; W247-F285 AromaticContact CZ2-CG 3.7Å; W247-F285 HydrophobicContact CZ2-CG 3.7Å; W247-F285 HydrophobicContact CZ3-CB 4.38Å; W247-F285 AromaticContact CZ3-CD1 3.72Å; W247-F285 HydrophobicContact CZ3-CD1 3.72Å; W247-F285 HydrophobicContact CZ3-CD2 4.34Å; W247-F285 HydrophobicContact CZ3-CE1 4.06Å; W247-F285 AromaticContact CZ3-CG 3.88Å; W247-F285 HydrophobicContact CZ3-CG 3.88Å; W247-F285 AromaticContact NE1-CD2 3.82Å
248S86.1Confident77.7Confident53 Ų5379.6 Ų79.637%0.37140%0.4SS..PPolyproline II helixtrans-70.6153.5179.760.70000111P246 E250 E251 C252P246-S248 PolarHBondContact O-N 3.43Å; P246-S248 VanDerWaalsContact O-N 3.1Å; S248-E250 PolarHBondContact O-N 3.1Å; S248-E250 VanDerWaalsContact O-N 3.12Å; S248-E251 WeakPolarHBondContact CB-OE2 3.33Å; S248-E251 PolarHBondContact N-OE2 3.01Å; S248-E251 PolarHBondContact O-N 2.94Å; S248-E251 WeakPolarHBondContact OG-CB 3.22Å; S248-E251 VanDerWaalsContact OG-CD 3.31Å; S248-E251 WeakPolarHBondContact OG-CG 3.41Å; S248-E251 PolarHBondContact OG-N 2.9Å; S248-E251 PolarHBondContact OG-OE2 3.48Å; S248-C252 PolarHBondContact O-N 2.99Å; S248-C252 PolarHBondContact O-SG 3.01Å
249E86.9Confident78.4Confident127 Ų12773.1 Ų73.159%0.59337%0.372SS*.Hα-helixtrans-61.3-24.5179.1-161.9-167.5163.600112.7R253E249-R253 WeakPolarHBondContact O-CB 3.33Å; E249-R253 VanDerWaalsContact O-CG 3.3Å; E249-R253 WeakPolarHBondContact O-CG 3.5Å; E249-R253 PolarHBondContact O-N 3.25Å; E249-R253 VanDerWaalsContact O-N 3.12Å; E249-R253 PolarHBondContact O-NE 3.43Å; E249-R253 VanDerWaalsContact O-NE 3.07Å
250E87.6Confident79.2Confident122 Ų12275.2 Ų75.257%0.5738%0.375SS*.Hα-helixtrans-73-46.4170.6-175.5167.317800112.4S248 C252 R253 N254S248-E250 PolarHBondContact O-N 3.1Å; S248-E250 VanDerWaalsContact O-N 3.12Å; E250-C252 VanDerWaalsContact C-N 3.3Å; E250-C252 PolarHBondContact O-N 3.21Å; E250-R253 PolarHBondContact O-N 2.67Å; E250-N254 VanDerWaalsContact O-CB 3.28Å; E250-N254 WeakPolarHBondContact O-CB 3.25Å; E250-N254 PolarHBondContact O-N 2.84Å; E250-N254 PolarHBondContact O-ND2 2.99Å
251E89.5Confident80.3Confident21 Ų2179.4 Ų79.410%0.09839%0.393CS..Hα-helixtrans-58.2-41.7172.5-73.2167.712500111.8W247 S248 N254 F255 T276 R277W247-E251 HydrophobicContact CE3-CB 3.81Å; W247-E251 HydrophobicContact CZ3-CB 4.26Å; S248-E251 WeakPolarHBondContact CB-OE2 3.33Å; S248-E251 PolarHBondContact N-OE2 3.01Å; S248-E251 PolarHBondContact O-N 2.94Å; S248-E251 WeakPolarHBondContact OG-CB 3.22Å; S248-E251 VanDerWaalsContact OG-CD 3.31Å; S248-E251 WeakPolarHBondContact OG-CG 3.41Å; S248-E251 PolarHBondContact OG-N 2.9Å; S248-E251 PolarHBondContact OG-OE2 3.48Å; E251-N254 PolarHBondContact O-N 3.09Å; E251-F255 VanDerWaalsContact O-CB 3.29Å; E251-F255 WeakPolarHBondContact O-CB 3.28Å; E251-F255 PolarHBondContact O-N 3.21Å; E251-T276 WeakPolarHBondContact OE1-CB 3.18Å; E251-T276 PolarHBondContact OE1-OG1 2.81Å; E251-R277 IonicContact OE1-CZ 2.68Å; E251-R277 IonicContact OE1-NE 3.71Å; E251-R277 PolarHBondContact OE1-NE 3.22Å; E251-R277 IonicContact OE1-NH2 2.69Å; E251-R277 PolarHBondContact OE1-NH2 2.83Å; E251-R277 IonicContact OE2-NE 3.4Å; E251-R277 IonicContact OE2-NH2 3.42Å; E251-R277 PolarHBondContact OE2-NH2 2.95Å
252C88.5Confident81.7Confident13 Ų1374.4 Ų74.49%0.08837%0.37CS..Hα-helixtrans-61.3-49.1175.8-64.70000112.2S248 E250 N254 F255 E256 F285S248-C252 PolarHBondContact O-N 2.99Å; S248-C252 PolarHBondContact O-SG 3.01Å; E250-C252 VanDerWaalsContact C-N 3.3Å; E250-C252 PolarHBondContact O-N 3.21Å; C252-N254 PolarHBondContact O-N 2.82Å; C252-F255 WeakPolarHBondContact O-CB 3.45Å; C252-F255 PolarHBondContact O-N 3.02Å; C252-E256 VanDerWaalsContact O-CG 3.27Å; C252-E256 WeakPolarHBondContact O-CG 3.41Å; C252-E256 PolarHBondContact O-N 2.83Å; C252-F285 HydrophobicContact CB-CZ 4.3Å; C252-F285 VanDerWaalsContact SG-CZ 3.57Å
253R88.9Confident83.6Confident131 Ų13172.1 Ų72.149%0.49436%0.363SS..Hα-helixtrans-66.3-37178-73.3178.1-64.7154.93.7112.3E249 E250 E256 H257E249-R253 WeakPolarHBondContact O-CB 3.33Å; E249-R253 VanDerWaalsContact O-CG 3.3Å; E249-R253 WeakPolarHBondContact O-CG 3.5Å; E249-R253 PolarHBondContact O-N 3.25Å; E249-R253 VanDerWaalsContact O-N 3.12Å; E249-R253 PolarHBondContact O-NE 3.43Å; E249-R253 VanDerWaalsContact O-NE 3.07Å; E250-R253 PolarHBondContact O-N 2.67Å; R253-E256 WeakPolarHBondContact CA-OE2 3.33Å; R253-E256 PolarHBondContact O-N 3.08Å; R253-H257 WeakPolarHBondContact O-CB 3.24Å; R253-H257 PolarHBondContact O-N 3.45Å
254N90.6Very high85.5Confident46 Ų4672.3 Ų72.325%0.24636%0.364CS..Hα-helixtrans-66.5-40.1175.1-79.3-31.6000111.3E250 E251 C252 A258 K273E250-N254 VanDerWaalsContact O-CB 3.28Å; E250-N254 WeakPolarHBondContact O-CB 3.25Å; E250-N254 PolarHBondContact O-N 2.84Å; E250-N254 PolarHBondContact O-ND2 2.99Å; E251-N254 PolarHBondContact O-N 3.09Å; C252-N254 PolarHBondContact O-N 2.82Å; N254-A258 WeakPolarHBondContact O-CB 3.49Å; N254-A258 PolarHBondContact O-N 2.76Å; N254-K273 HydrophobicContact CB-CB 4.41Å; N254-K273 WeakPolarHBondContact CB-O 3.16Å
255F90.4Very high87.1Confident0 Ų072.4 Ų72.40%036%0.359CS..Hα-helixtrans-62.3-46.3172.9-179.6-88.9000111.9W247 E251 C252 A258 L259 F266 I269 V274 C282 F285 Y286 W289W247-F255 HydrophobicContact CH2-CD2 4.39Å; W247-F255 HydrophobicContact CZ3-CB 4.21Å; W247-F255 HydrophobicContact CZ3-CD2 4.34Å; W247-F255 HydrophobicContact CZ3-CG 4.47Å; E251-F255 VanDerWaalsContact O-CB 3.29Å; E251-F255 WeakPolarHBondContact O-CB 3.28Å; E251-F255 PolarHBondContact O-N 3.21Å; C252-F255 WeakPolarHBondContact O-CB 3.45Å; C252-F255 PolarHBondContact O-N 3.02Å; F255-A258 WeakPolarHBondContact O-CB 3.49Å; F255-A258 PolarHBondContact O-N 2.81Å; F255-A258 VanDerWaalsContact O-N 3.13Å; F255-L259 HydrophobicContact CE1-CD1 4.47Å; F255-L259 HydrophobicContact CE1-CD2 4.38Å; F255-L259 HydrophobicContact CZ-CD1 4.35Å; F255-L259 WeakPolarHBondContact O-CB 3.21Å; F255-L259 PolarHBondContact O-N 3.2Å; F255-F266 HydrophobicContact CE2-CD1 4.48Å; F255-F266 HydrophobicContact CE2-CE1 4.47Å; F255-F266 HydrophobicContact CZ-CE1 4.29Å; F255-I269 HydrophobicContact CD2-CG2 3.81Å; F255-I269 HydrophobicContact CE2-CD1 4.46Å; F255-I269 HydrophobicContact CE2-CG2 4.12Å; F255-V274 HydrophobicContact CB-CG2 4.02Å; F255-V274 HydrophobicContact CD2-CG2 4.41Å; F255-C282 HydrophobicContact CE2-CB 4.3Å; F255-F285 HydrophobicContact CB-CE1 4.21Å; F255-F285 AromaticContact CD1-CD1 3.82Å; F255-F285 HydrophobicContact CD1-CD1 3.82Å; F255-F285 AromaticContact CD1-CE1 3.61Å; F255-F285 HydrophobicContact CD1-CE1 3.61Å; F255-F285 HydrophobicContact CD2-CD1 4.04Å; F255-F285 HydrophobicContact CD2-CE1 4.47Å; F255-F285 AromaticContact CE1-CD1 3.97Å; F255-F285 HydrophobicContact CE1-CD1 3.97Å; F255-F285 HydrophobicContact CE1-CE1 4.1Å; F255-F285 HydrophobicContact CE2-CD1 4.19Å; F255-F285 AromaticContact CG-CD1 3.87Å; F255-F285 HydrophobicContact CG-CD1 3.87Å; F255-F285 AromaticContact CG-CE1 3.84Å; F255-F285 HydrophobicContact CG-CE1 3.84Å; F255-F285 HydrophobicContact CZ-CD1 4.17Å; F255-Y286 HydrophobicContact CE1-CD2 4.4Å; F255-Y286 HydrophobicContact CZ-CD2 4.12Å; F255-W289 HydrophobicContact CE1-CD2 4.45Å; F255-W289 HydrophobicContact CE1-CE3 4.17Å; F255-W289 HydrophobicContact CE1-CZ3 4.46Å
256E90.2Very high88.1Confident21 Ų2170.2 Ų70.210%0.09834%0.341CS..Hα-helixtrans-60.6-47.2178.4-74162.7161.300112.1C252 R253 A258 L259 Q260 W289 R294 F298C252-E256 VanDerWaalsContact O-CG 3.27Å; C252-E256 WeakPolarHBondContact O-CG 3.41Å; C252-E256 PolarHBondContact O-N 2.83Å; R253-E256 WeakPolarHBondContact CA-OE2 3.33Å; R253-E256 PolarHBondContact O-N 3.08Å; E256-A258 VanDerWaalsContact C-N 3.31Å; E256-A258 PolarHBondContact O-N 3.17Å; E256-L259 PolarHBondContact O-N 3.36Å; E256-Q260 PolarHBondContact O-N 3.08Å; E256-Q260 VanDerWaalsContact O-N 3.1Å; E256-W289 HydrophobicContact CG-CZ2 3.69Å; E256-W289 PolarHBondContact OE1-NE1 3.48Å; E256-R294 WeakPolarHBondContact OE1-CD 3.5Å; E256-R294 WeakPolarHBondContact OE1-CG 3.45Å; E256-R294 IonicContact OE1-CZ 3.57Å; E256-R294 IonicContact OE1-NE 2.72Å; E256-R294 PolarHBondContact OE1-NE 3.11Å; E256-R294 IonicContact OE1-NH2 3.14Å; E256-R294 IonicContact OE2-CZ 3.5Å; E256-R294 IonicContact OE2-NE 3.43Å; E256-R294 PolarHBondContact OE2-NE 3.26Å; E256-R294 IonicContact OE2-NH2 2.73Å; E256-R294 PolarHBondContact OE2-NH2 2.97Å; E256-F298 HydrophobicContact CB-CD2 4.08Å; E256-F298 HydrophobicContact CB-CE2 3.95Å; E256-F298 HydrophobicContact CG-CD2 4.16Å; E256-F298 HydrophobicContact CG-CE2 4.42Å
257H88.3Confident88.7Confident83 Ų8371.2 Ų71.238%0.38434%0.336SS..Hα-helixtrans-64.3-34.9173.7-176.4-22000111.7R253 Q260 M261 K273R253-H257 WeakPolarHBondContact O-CB 3.24Å; R253-H257 PolarHBondContact O-N 3.45Å; H257-Q260 PolarHBondContact O-N 2.99Å; H257-M261 WeakPolarHBondContact ND1-CG 3.09Å; H257-M261 WeakPolarHBondContact O-CG 3.15Å; H257-M261 PolarHBondContact O-N 3.18Å; H257-K273 PolarHBondContact CD2-NZ 3.46Å; H257-K273 PolarHBondContact NE2-NZ 3.13Å
258A89.7Confident89.1Confident0 Ų071.5 Ų71.50%034%0.341CS..Hα-helixtrans-68.7-43.8177.300000112N254 F255 E256 Q260 M261 Y262 I269 K273N254-A258 WeakPolarHBondContact O-CB 3.49Å; N254-A258 PolarHBondContact O-N 2.76Å; F255-A258 WeakPolarHBondContact O-CB 3.49Å; F255-A258 PolarHBondContact O-N 2.81Å; F255-A258 VanDerWaalsContact O-N 3.13Å; E256-A258 VanDerWaalsContact C-N 3.31Å; E256-A258 PolarHBondContact O-N 3.17Å; A258-Q260 PolarHBondContact O-N 3.03Å; A258-M261 PolarHBondContact O-N 2.96Å; A258-Y262 HydrophobicContact CB-CD2 4.28Å; A258-Y262 WeakPolarHBondContact O-CD2 3.45Å; A258-Y262 PolarHBondContact O-N 3Å; A258-I269 HydrophobicContact CB-CB 3.95Å; A258-I269 HydrophobicContact CB-CG1 3.7Å; A258-I269 HydrophobicContact CB-CG2 3.67Å; A258-K273 HydrophobicContact CB-CB 3.62Å; A258-K273 HydrophobicContact CB-CG 3.71Å
259L89.9Confident89.3Confident20 Ų2069 Ų6911%0.10532%0.324CS..Hα-helixtrans-62.1-31.4176.4-166.880.5000111.7F255 E256 D263 I269 Y286 W289 F298F255-L259 HydrophobicContact CE1-CD1 4.47Å; F255-L259 HydrophobicContact CE1-CD2 4.38Å; F255-L259 HydrophobicContact CZ-CD1 4.35Å; F255-L259 WeakPolarHBondContact O-CB 3.21Å; F255-L259 PolarHBondContact O-N 3.2Å; E256-L259 PolarHBondContact O-N 3.36Å; L259-D263 VanDerWaalsContact O-CA 3.27Å; L259-D263 WeakPolarHBondContact O-CA 3.48Å; L259-D263 PolarHBondContact O-N 3.27Å; L259-I269 HydrophobicContact CB-CD1 4.5Å; L259-I269 HydrophobicContact CD1-CD1 4.04Å; L259-Y286 HydrophobicContact CD1-CD2 4.12Å; L259-Y286 HydrophobicContact CD1-CE2 4.11Å; L259-Y286 HydrophobicContact CD2-CD2 4.49Å; L259-Y286 HydrophobicContact CD2-CE2 4.24Å; L259-W289 HydrophobicContact CD2-CE3 4.5Å; L259-W289 HydrophobicContact CD2-CH2 3.49Å; L259-W289 VanDerWaalsContact CD2-CH2 3.49Å; L259-W289 HydrophobicContact CD2-CZ3 3.41Å; L259-W289 VanDerWaalsContact CD2-CZ3 3.41Å; L259-F298 HydrophobicContact CD2-CE1 4.45Å
260Q88.4Confident89.5Confident106 Ų10665.4 Ų65.450%0.49531%0.307SS..Hα-helixtrans-75.4-22.9174.2-162.3-175.832.500113.7E256 H257 A258 N302E256-Q260 PolarHBondContact O-N 3.08Å; E256-Q260 VanDerWaalsContact O-N 3.1Å; H257-Q260 PolarHBondContact O-N 2.99Å; A258-Q260 PolarHBondContact O-N 3.03Å; Q260-N302 PolarHBondContact NE2-OD1 3.49Å
261M87Confident89.6Confident118 Ų11866.2 Ų66.258%0.58131%0.309SS*.Hα-helixtrans-105.7-22.2-174.3-66.5-71.8-67.500114.2H257 A258H257-M261 WeakPolarHBondContact ND1-CG 3.09Å; H257-M261 WeakPolarHBondContact O-CG 3.15Å; H257-M261 PolarHBondContact O-N 3.18Å; A258-M261 PolarHBondContact O-N 2.96Å
262Y87Confident89.6Confident73 Ų7369.8 Ų69.829%0.28633%0.325SS..Hα-helixtrans-129.811.9-175.1-53.3-59.7000112.7A258 N265 L268 H272 K273A258-Y262 HydrophobicContact CB-CD2 4.28Å; A258-Y262 WeakPolarHBondContact O-CD2 3.45Å; A258-Y262 PolarHBondContact O-N 3Å; Y262-N265 VanDerWaalsContact O-CB 3.24Å; Y262-N265 WeakPolarHBondContact O-CB 3.38Å; Y262-N265 PolarHBondContact O-N 3.08Å; Y262-N265 VanDerWaalsContact O-N 3.08Å; Y262-L268 HydrophobicContact CD1-CB 4.15Å; Y262-L268 HydrophobicContact CD1-CD1 4.29Å; Y262-L268 HydrophobicContact CD2-CB 4.29Å; Y262-L268 HydrophobicContact CG-CB 3.9Å; Y262-H272 HydrophobicContact CE2-CB 3.88Å; Y262-K273 HydrophobicContact CE2-CG 4.43Å
263D87.6Confident89.4Confident126 Ų12672 Ų7267%0.67433%0.334SS*.THydrogen-bonded Turntrans45.2-137.5-172.1-72.4-67000111.6L259 N265 I269L259-D263 VanDerWaalsContact O-CA 3.27Å; L259-D263 WeakPolarHBondContact O-CA 3.48Å; L259-D263 PolarHBondContact O-N 3.27Å; D263-N265 PolarHBondContact O-N 3.11Å; D263-I269 WeakPolarHBondContact O-CD1 3.27Å
264K89.9Confident89.2Confident141 Ų14165.9 Ų65.961%0.61331%0.31SS*.THydrogen-bonded Turntrans-80.818.4-179.6-60.7173.5-174.1163.90113.5F266K264-F266 VanDerWaalsContact C-N 3.34Å; K264-F266 HydrophobicContact CB-CE2 4.25Å; K264-F266 HydrophobicContact CB-CZ 4.34Å; K264-F266 WeakPolarHBondContact O-CD2 3.18Å; K264-F266 VanDerWaalsContact O-CE2 3.29Å; K264-F266 WeakPolarHBondContact O-CE2 3.5Å; K264-F266 PolarHBondContact O-N 2.82Å
265N90.9Very high89Confident72 Ų7268.5 Ų68.539%0.38533%0.328SS..  trans-81.381.7179.3-162.9-42.9000111.1Y262 D263 H267 L268 I269Y262-N265 VanDerWaalsContact O-CB 3.24Å; Y262-N265 WeakPolarHBondContact O-CB 3.38Å; Y262-N265 PolarHBondContact O-N 3.08Å; Y262-N265 VanDerWaalsContact O-N 3.08Å; D263-N265 PolarHBondContact O-N 3.11Å; N265-H267 PolarHBondContact O-N 3.34Å; N265-H267 VanDerWaalsContact O-N 3.13Å; N265-H267 PolarHBondContact OD1-N 2.82Å; N265-L268 HydrophobicContact CB-CB 4.27Å; N265-L268 HydrophobicContact CB-CD1 4.13Å; N265-L268 PolarHBondContact O-N 3.11Å; N265-L268 PolarHBondContact OD1-N 2.68Å; N265-I269 WeakPolarHBondContact O-CG1 3.16Å; N265-I269 PolarHBondContact O-N 2.81Å
266F90.9Very high88.8Confident34 Ų3473.1 Ų73.115%0.14936%0.357CS..Hα-helixtrans-57.8-27.6-176.3-58.3-70.1000114.1F255 K264 I269 Q270 V279 C282 V283 Y286F255-F266 HydrophobicContact CE2-CD1 4.48Å; F255-F266 HydrophobicContact CE2-CE1 4.47Å; F255-F266 HydrophobicContact CZ-CE1 4.29Å; K264-F266 VanDerWaalsContact C-N 3.34Å; K264-F266 HydrophobicContact CB-CE2 4.25Å; K264-F266 HydrophobicContact CB-CZ 4.34Å; K264-F266 WeakPolarHBondContact O-CD2 3.18Å; K264-F266 VanDerWaalsContact O-CE2 3.29Å; K264-F266 WeakPolarHBondContact O-CE2 3.5Å; K264-F266 PolarHBondContact O-N 2.82Å; F266-I269 HydrophobicContact CD1-CD1 4.01Å; F266-I269 HydrophobicContact CE1-CD1 4.42Å; F266-Q270 WeakPolarHBondContact O-CB 3.23Å; F266-Q270 PolarHBondContact O-N 3.1Å; F266-V279 HydrophobicContact CB-CG1 3.88Å; F266-C282 HydrophobicContact CD1-CB 4.44Å; F266-V283 HydrophobicContact CB-CG2 4.04Å; F266-V283 HydrophobicContact CD1-CG2 4.17Å; F266-V283 HydrophobicContact CD2-CG2 3.57Å; F266-V283 HydrophobicContact CE2-CG2 4.04Å; F266-V283 HydrophobicContact CG-CG2 3.64Å; F266-Y286 HydrophobicContact CE1-CD1 4.49Å; F266-Y286 HydrophobicContact CE1-CD2 4.24Å; F266-Y286 AromaticContact CE1-CG 3.9Å; F266-Y286 HydrophobicContact CE1-CG 3.9Å; F266-Y286 AromaticContact CZ-CD1 3.94Å; F266-Y286 HydrophobicContact CZ-CD1 3.94Å; F266-Y286 HydrophobicContact CZ-CD2 4.29Å; F266-Y286 AromaticContact CZ-CG 3.8Å; F266-Y286 HydrophobicContact CZ-CG 3.8Å
267H91.3Very high88.6Confident131 Ų13172.9 Ų72.961%0.60636%0.355SS*.Hα-helixtrans-67.5-42.4173.6-62.199.8000112.2N265 K271N265-H267 PolarHBondContact O-N 3.34Å; N265-H267 VanDerWaalsContact O-N 3.13Å; N265-H267 PolarHBondContact OD1-N 2.82Å; H267-K271 WeakPolarHBondContact O-CB 3.24Å; H267-K271 PolarHBondContact O-N 3.26Å
268L91.4Very high88.7Confident63 Ų6372.4 Ų72.433%0.3336%0.358SS..Hα-helixtrans-70-41.3174.7-78.9166.4000111.8Y262 N265 Q270 K271 H272Y262-L268 HydrophobicContact CD1-CB 4.15Å; Y262-L268 HydrophobicContact CD1-CD1 4.29Å; Y262-L268 HydrophobicContact CD2-CB 4.29Å; Y262-L268 HydrophobicContact CG-CB 3.9Å; N265-L268 HydrophobicContact CB-CB 4.27Å; N265-L268 HydrophobicContact CB-CD1 4.13Å; N265-L268 PolarHBondContact O-N 3.11Å; N265-L268 PolarHBondContact OD1-N 2.68Å; L268-Q270 PolarHBondContact O-N 3.29Å; L268-K271 PolarHBondContact O-N 2.81Å; L268-H272 WeakPolarHBondContact O-CB 3.28Å; L268-H272 PolarHBondContact O-CD2 3Å; L268-H272 PolarHBondContact O-N 2.89Å
269I90.1Very high88.9Confident0 Ų074.1 Ų74.10%037%0.368CS..Hα-helixtrans-55-53.9174.4-68.3170.5000110.9F255 A258 L259 D263 N265 F266 K273 V274F255-I269 HydrophobicContact CD2-CG2 3.81Å; F255-I269 HydrophobicContact CE2-CD1 4.46Å; F255-I269 HydrophobicContact CE2-CG2 4.12Å; A258-I269 HydrophobicContact CB-CB 3.95Å; A258-I269 HydrophobicContact CB-CG1 3.7Å; A258-I269 HydrophobicContact CB-CG2 3.67Å; L259-I269 HydrophobicContact CB-CD1 4.5Å; L259-I269 HydrophobicContact CD1-CD1 4.04Å; D263-I269 WeakPolarHBondContact O-CD1 3.27Å; N265-I269 WeakPolarHBondContact O-CG1 3.16Å; N265-I269 PolarHBondContact O-N 2.81Å; F266-I269 HydrophobicContact CD1-CD1 4.01Å; F266-I269 HydrophobicContact CE1-CD1 4.42Å; I269-K273 PolarHBondContact O-N 3.26Å; I269-V274 HydrophobicContact CG2-CG2 3.94Å; I269-V274 PolarHBondContact O-N 3.24Å
270Q91.8Very high89Confident52 Ų5276.7 Ų76.724%0.24339%0.392CS..Hα-helixtrans-64-44.2-177.8-173.1-93.6-9.500111.3F266 L268 H272 V274 T275 R277 V279F266-Q270 WeakPolarHBondContact O-CB 3.23Å; F266-Q270 PolarHBondContact O-N 3.1Å; L268-Q270 PolarHBondContact O-N 3.29Å; Q270-H272 PolarHBondContact O-N 3.47Å; Q270-V274 CarbonylContact O-C 3.56Å; Q270-T275 VanDerWaalsContact O-CA 3.31Å; Q270-T275 WeakPolarHBondContact O-CA 3.34Å; Q270-T275 VanDerWaalsContact O-CG2 3.29Å; Q270-T275 WeakPolarHBondContact O-CG2 3.46Å; Q270-T275 PolarHBondContact O-N 2.77Å; Q270-T275 VanDerWaalsContact O-N 3.15Å; Q270-R277 WeakPolarHBondContact CG-O 3.37Å; Q270-R277 PolarHBondContact NE2-O 3.19Å; Q270-V279 HydrophobicContact CB-CG2 4.01Å; Q270-V279 HydrophobicContact CG-CG2 3.97Å
271K90Very high89.1Confident140 Ų14074.3 Ų74.361%0.60938%0.381SS*.Hα-helixtrans-66.8-34.4-180-177.1179178-176.10114.7H267 L268 T275H267-K271 WeakPolarHBondContact O-CB 3.24Å; H267-K271 PolarHBondContact O-N 3.26Å; L268-K271 PolarHBondContact O-N 2.81Å; K271-T275 VanDerWaalsContact O-CG2 3.29Å; K271-T275 WeakPolarHBondContact O-CG2 3.26Å
272H88.4Confident89.2Confident96 Ų9668.7 Ų68.744%0.44435%0.354SS..Hα-helixtrans-110-16.9-169.9-71.8-85.7000115.5Y262 L268 Q270Y262-H272 HydrophobicContact CE2-CB 3.88Å; L268-H272 WeakPolarHBondContact O-CB 3.28Å; L268-H272 PolarHBondContact O-CD2 3Å; L268-H272 PolarHBondContact O-N 2.89Å; Q270-H272 PolarHBondContact O-N 3.47Å
273K84.3Confident89.5Confident60 Ų6067.5 Ų67.526%0.26135%0.353SS..THydrogen-bonded Turntrans-139.8-29.4-172.9-71.9-73-169.81630114.6N254 H257 A258 Y262 I269N254-K273 HydrophobicContact CB-CB 4.41Å; N254-K273 WeakPolarHBondContact CB-O 3.16Å; H257-K273 PolarHBondContact CD2-NZ 3.46Å; H257-K273 PolarHBondContact NE2-NZ 3.13Å; A258-K273 HydrophobicContact CB-CB 3.62Å; A258-K273 HydrophobicContact CB-CG 3.71Å; Y262-K273 HydrophobicContact CE2-CG 4.43Å; I269-K273 PolarHBondContact O-N 3.26Å
274V85.7Confident89.7Confident1 Ų164.2 Ų64.21%0.00634%0.344CS..  trans-126.754-177.1-160.50000111W247 F255 I269 Q270 T276 R277W247-V274 HydrophobicContact CH2-CG1 3.88Å; W247-V274 HydrophobicContact CZ3-CG1 3.8Å; F255-V274 HydrophobicContact CB-CG2 4.02Å; F255-V274 HydrophobicContact CD2-CG2 4.41Å; I269-V274 HydrophobicContact CG2-CG2 3.94Å; I269-V274 PolarHBondContact O-N 3.24Å; Q270-V274 CarbonylContact O-C 3.56Å; V274-T276 PolarHBondContact O-N 3.34Å; V274-R277 HydrophobicContact CG1-CB 3.97Å; V274-R277 HydrophobicContact CG1-CG 3.75Å; V274-R277 PolarHBondContact O-N 3.48Å
275T85.9Confident89.7Confident101 Ų10158.8 Ų58.862%0.6232%0.321SS*.THydrogen-bonded Turntrans-70.6-11.1-176.151.30000114.1Q270 K271 R277Q270-T275 VanDerWaalsContact O-CA 3.31Å; Q270-T275 WeakPolarHBondContact O-CA 3.34Å; Q270-T275 VanDerWaalsContact O-CG2 3.29Å; Q270-T275 WeakPolarHBondContact O-CG2 3.46Å; Q270-T275 PolarHBondContact O-N 2.77Å; Q270-T275 VanDerWaalsContact O-N 3.15Å; K271-T275 VanDerWaalsContact O-CG2 3.29Å; K271-T275 WeakPolarHBondContact O-CG2 3.26Å; T275-R277 VanDerWaalsContact C-N 3.26Å; T275-R277 PolarHBondContact O-N 2.88Å
276T85.6Confident89.7Confident98 Ų9856.6 Ų56.660%0.60131%0.307SS*.THydrogen-bonded Turntrans-74.3-12.3173.248.90000113.6E251 V274E251-T276 WeakPolarHBondContact OE1-CB 3.18Å; E251-T276 PolarHBondContact OE1-OG1 2.81Å; V274-T276 PolarHBondContact O-N 3.34Å
277R87Confident89.6Confident16 Ų1662 Ų626%0.0633%0.327CS..SBendtrans-123.9161.1-172.6-58.8-64.7173157.53.6112P245 W247 E251 Q270 V274 T275 E281P245-R277 PolarHBondContact O-NH1 3.48Å; P245-R277 PolarHBondContact O-NH2 3.42Å; W247-R277 HydrophobicContact CH2-CB 4.45Å; W247-R277 HydrophobicContact CH2-CG 4.06Å; W247-R277 HydrophobicContact CZ2-CB 4.37Å; W247-R277 HydrophobicContact CZ2-CG 3.93Å; E251-R277 IonicContact OE1-CZ 2.68Å; E251-R277 IonicContact OE1-NE 3.71Å; E251-R277 PolarHBondContact OE1-NE 3.22Å; E251-R277 IonicContact OE1-NH2 2.69Å; E251-R277 PolarHBondContact OE1-NH2 2.83Å; E251-R277 IonicContact OE2-NE 3.4Å; E251-R277 IonicContact OE2-NH2 3.42Å; E251-R277 PolarHBondContact OE2-NH2 2.95Å; Q270-R277 WeakPolarHBondContact CG-O 3.37Å; Q270-R277 PolarHBondContact NE2-O 3.19Å; V274-R277 HydrophobicContact CG1-CB 3.97Å; V274-R277 HydrophobicContact CG1-CG 3.75Å; V274-R277 PolarHBondContact O-N 3.48Å; T275-R277 VanDerWaalsContact C-N 3.26Å; T275-R277 PolarHBondContact O-N 2.88Å; R277-E281 HydrophobicContact CB-CB 4.18Å; R277-E281 WeakPolarHBondContact CD-OE1 3.47Å; R277-E281 IonicContact CZ-OE1 3.18Å; R277-E281 IonicContact NE-OE1 3.91Å; R277-E281 IonicContact NH1-OE1 3.35Å; R277-E281 PolarHBondContact NH1-OE1 3.49Å; R277-E281 VanDerWaalsContact NH1-OE1 3.08Å
278T90.8Very high89.4Confident72 Ų7262.2 Ų62.244%0.44233%0.331SS..  trans-80.8158.6169.960.90000111.6A280 E281 C282T278-A280 PolarHBondContact O-N 3.21Å; T278-E281 WeakPolarHBondContact CB-OE2 3.44Å; T278-E281 PolarHBondContact N-OE2 2.89Å; T278-E281 PolarHBondContact O-N 3.38Å; T278-E281 WeakPolarHBondContact OG1-CB 3.48Å; T278-E281 WeakPolarHBondContact OG1-CG 3.22Å; T278-E281 PolarHBondContact OG1-N 2.94Å; T278-E281 PolarHBondContact OG1-OE2 3.3Å; T278-C282 PolarHBondContact O-N 2.99Å; T278-C282 PolarHBondContact O-SG 2.84Å; T278-C282 VanDerWaalsContact O-SG 3.36Å
279V92.1Very high89.2Confident37 Ų3759.6 Ų59.622%0.22432%0.316CS..Hα-helixtrans-60.3-35.2175-177.60000111F266 Q270 C282 V283F266-V279 HydrophobicContact CB-CG1 3.88Å; Q270-V279 HydrophobicContact CB-CG2 4.01Å; Q270-V279 HydrophobicContact CG-CG2 3.97Å; V279-C282 WeakPolarHBondContact O-CB 3.49Å; V279-C282 PolarHBondContact O-N 2.96Å; V279-V283 WeakPolarHBondContact O-CG2 3.32Å; V279-V283 PolarHBondContact O-N 3.45Å
280A91.9Very high89Confident73 Ų7364.3 Ų64.360%0.60334%0.337SS*.Hα-helixtrans-63.4-45.3175.300000112.3T278 C282 V283 A284T278-A280 PolarHBondContact O-N 3.21Å; A280-C282 VanDerWaalsContact C-N 3.33Å; A280-C282 PolarHBondContact O-N 2.93Å; A280-V283 PolarHBondContact O-N 2.97Å; A280-A284 WeakPolarHBondContact O-CB 3.45Å; A280-A284 PolarHBondContact O-N 3.42Å
281E90.7Very high88.7Confident57 Ų5770.7 Ų70.727%0.26636%0.364SS..Hα-helixtrans-60.6-40172.4-76.7167101.800111.9W247 R277 T278 V283 A284 F285W247-E281 HydrophobicContact CZ2-CB 4.24Å; R277-E281 HydrophobicContact CB-CB 4.18Å; R277-E281 WeakPolarHBondContact CD-OE1 3.47Å; R277-E281 IonicContact CZ-OE1 3.18Å; R277-E281 IonicContact NE-OE1 3.91Å; R277-E281 IonicContact NH1-OE1 3.35Å; R277-E281 PolarHBondContact NH1-OE1 3.49Å; R277-E281 VanDerWaalsContact NH1-OE1 3.08Å; T278-E281 WeakPolarHBondContact CB-OE2 3.44Å; T278-E281 PolarHBondContact N-OE2 2.89Å; T278-E281 PolarHBondContact O-N 3.38Å; T278-E281 WeakPolarHBondContact OG1-CB 3.48Å; T278-E281 WeakPolarHBondContact OG1-CG 3.22Å; T278-E281 PolarHBondContact OG1-N 2.94Å; T278-E281 PolarHBondContact OG1-OE2 3.3Å; E281-V283 VanDerWaalsContact C-N 3.34Å; E281-V283 PolarHBondContact O-N 3.15Å; E281-A284 PolarHBondContact O-N 3.15Å; E281-F285 WeakPolarHBondContact O-CB 3.45Å; E281-F285 PolarHBondContact O-N 3.4Å
282C90.6Very high88.3Confident0 Ų066.5 Ų66.50%035%0.352CS..Hα-helixtrans-62.9-37.7176.2-64.80000112.7F255 F266 T278 V279 A280 Y286F255-C282 HydrophobicContact CE2-CB 4.3Å; F266-C282 HydrophobicContact CD1-CB 4.44Å; T278-C282 PolarHBondContact O-N 2.99Å; T278-C282 PolarHBondContact O-SG 2.84Å; T278-C282 VanDerWaalsContact O-SG 3.36Å; V279-C282 WeakPolarHBondContact O-CB 3.49Å; V279-C282 PolarHBondContact O-N 2.96Å; A280-C282 VanDerWaalsContact C-N 3.33Å; A280-C282 PolarHBondContact O-N 2.93Å; C282-Y286 PolarHBondContact O-N 3.04Å
283V93Very high87.8Confident47 Ų4769.7 Ų69.729%0.28537%0.367SS..Hα-helixtrans-70.8-45175.5173.40000111.1F266 V279 A280 E281 F285 Y286 Y287F266-V283 HydrophobicContact CB-CG2 4.04Å; F266-V283 HydrophobicContact CD1-CG2 4.17Å; F266-V283 HydrophobicContact CD2-CG2 3.57Å; F266-V283 HydrophobicContact CE2-CG2 4.04Å; F266-V283 HydrophobicContact CG-CG2 3.64Å; V279-V283 WeakPolarHBondContact O-CG2 3.32Å; V279-V283 PolarHBondContact O-N 3.45Å; A280-V283 PolarHBondContact O-N 2.97Å; E281-V283 VanDerWaalsContact C-N 3.34Å; E281-V283 PolarHBondContact O-N 3.15Å; V283-F285 VanDerWaalsContact C-N 3.34Å; V283-F285 PolarHBondContact O-N 3.04Å; V283-Y286 WeakPolarHBondContact O-CB 3.15Å; V283-Y286 PolarHBondContact O-N 2.67Å; V283-Y287 HydrophobicContact CG1-CD2 4.21Å; V283-Y287 HydrophobicContact CG1-CE2 3.99Å; V283-Y287 VanDerWaalsContact O-CD2 3.31Å; V283-Y287 WeakPolarHBondContact O-CD2 3.15Å; V283-Y287 PolarHBondContact O-N 3.22Å
284A90.7Very high87.6Confident58 Ų5870.5 Ų70.548%0.47937%0.369SS..Hα-helixtrans-60.8-44.6175.700000111.5A280 E281 Y286 Y287 M288A280-A284 WeakPolarHBondContact O-CB 3.45Å; A280-A284 PolarHBondContact O-N 3.42Å; E281-A284 PolarHBondContact O-N 3.15Å; A284-Y286 PolarHBondContact O-N 2.75Å; A284-Y287 PolarHBondContact O-N 3.21Å; A284-M288 WeakPolarHBondContact O-CG 3.36Å; A284-M288 PolarHBondContact O-N 2.93Å
285F89.9Confident87.3Confident27 Ų2772.5 Ų72.512%0.11838%0.377CS..Hα-helixtrans-61.4-41.5175.3-177.9-100.8000112W247 C252 F255 E281 V283 Y287 M288 W289W247-F285 HydrophobicContact CB-CD2 4.26Å; W247-F285 HydrophobicContact CB-CE2 3.92Å; W247-F285 AromaticContact CD1-CD2 3.82Å; W247-F285 HydrophobicContact CD2-CB 4.23Å; W247-F285 HydrophobicContact CD2-CD1 4.26Å; W247-F285 AromaticContact CD2-CD2 3.37Å; W247-F285 HydrophobicContact CD2-CD2 3.37Å; W247-F285 AromaticContact CD2-CE2 3.7Å; W247-F285 HydrophobicContact CD2-CE2 3.7Å; W247-F285 AromaticContact CD2-CG 3.68Å; W247-F285 HydrophobicContact CD2-CG 3.68Å; W247-F285 HydrophobicContact CD2-CZ 4.29Å; W247-F285 AromaticContact CE2-CD2 3.59Å; W247-F285 AromaticContact CE2-CG 3.61Å; W247-F285 AromaticContact CE3-CD1 3.9Å; W247-F285 HydrophobicContact CE3-CD1 3.9Å; W247-F285 AromaticContact CE3-CD2 3.78Å; W247-F285 HydrophobicContact CE3-CD2 3.78Å; W247-F285 AromaticContact CE3-CE1 3.97Å; W247-F285 HydrophobicContact CE3-CE1 3.97Å; W247-F285 AromaticContact CE3-CE2 3.86Å; W247-F285 HydrophobicContact CE3-CE2 3.86Å; W247-F285 AromaticContact CE3-CG 3.81Å; W247-F285 HydrophobicContact CE3-CG 3.81Å; W247-F285 AromaticContact CE3-CZ 3.96Å; W247-F285 HydrophobicContact CE3-CZ 3.96Å; W247-F285 AromaticContact CG-CD2 3.57Å; W247-F285 HydrophobicContact CG-CD2 3.57Å; W247-F285 AromaticContact CG-CE2 3.72Å; W247-F285 HydrophobicContact CG-CE2 3.72Å; W247-F285 HydrophobicContact CG-CG 4.36Å; W247-F285 HydrophobicContact CH2-CB 3.81Å; W247-F285 AromaticContact CH2-CD1 3.93Å; W247-F285 HydrophobicContact CH2-CD1 3.93Å; W247-F285 AromaticContact CH2-CG 3.82Å; W247-F285 HydrophobicContact CH2-CG 3.82Å; W247-F285 HydrophobicContact CZ2-CB 3.38Å; W247-F285 HydrophobicContact CZ2-CD1 4.29Å; W247-F285 HydrophobicContact CZ2-CD2 4.18Å; W247-F285 AromaticContact CZ2-CG 3.7Å; W247-F285 HydrophobicContact CZ2-CG 3.7Å; W247-F285 HydrophobicContact CZ3-CB 4.38Å; W247-F285 AromaticContact CZ3-CD1 3.72Å; W247-F285 HydrophobicContact CZ3-CD1 3.72Å; W247-F285 HydrophobicContact CZ3-CD2 4.34Å; W247-F285 HydrophobicContact CZ3-CE1 4.06Å; W247-F285 AromaticContact CZ3-CG 3.88Å; W247-F285 HydrophobicContact CZ3-CG 3.88Å; W247-F285 AromaticContact NE1-CD2 3.82Å; C252-F285 HydrophobicContact CB-CZ 4.3Å; C252-F285 VanDerWaalsContact SG-CZ 3.57Å; F255-F285 HydrophobicContact CB-CE1 4.21Å; F255-F285 AromaticContact CD1-CD1 3.82Å; F255-F285 HydrophobicContact CD1-CD1 3.82Å; F255-F285 AromaticContact CD1-CE1 3.61Å; F255-F285 HydrophobicContact CD1-CE1 3.61Å; F255-F285 HydrophobicContact CD2-CD1 4.04Å; F255-F285 HydrophobicContact CD2-CE1 4.47Å; F255-F285 AromaticContact CE1-CD1 3.97Å; F255-F285 HydrophobicContact CE1-CD1 3.97Å; F255-F285 HydrophobicContact CE1-CE1 4.1Å; F255-F285 HydrophobicContact CE2-CD1 4.19Å; F255-F285 AromaticContact CG-CD1 3.87Å; F255-F285 HydrophobicContact CG-CD1 3.87Å; F255-F285 AromaticContact CG-CE1 3.84Å; F255-F285 HydrophobicContact CG-CE1 3.84Å; F255-F285 HydrophobicContact CZ-CD1 4.17Å; E281-F285 WeakPolarHBondContact O-CB 3.45Å; E281-F285 PolarHBondContact O-N 3.4Å; V283-F285 VanDerWaalsContact C-N 3.34Å; V283-F285 PolarHBondContact O-N 3.04Å; F285-Y287 VanDerWaalsContact C-N 3.34Å; F285-Y287 PolarHBondContact O-N 3.41Å; F285-M288 PolarHBondContact O-N 3.31Å; F285-W289 HydrophobicContact CD1-CB 4.19Å; F285-W289 HydrophobicContact CE1-CB 3.83Å; F285-W289 HydrophobicContact CE1-CG 4.01Å; F285-W289 HydrophobicContact CE2-CB 4.39Å; F285-W289 HydrophobicContact CZ-CB 3.94Å; F285-W289 HydrophobicContact CZ-CG 4.19Å; F285-W289 WeakPolarHBondContact O-CB 3.49Å; F285-W289 PolarHBondContact O-N 2.92Å
286Y90.6Very high87Confident25 Ų2571.7 Ų71.710%0.09837%0.369CS..Hα-helixtrans-52.9-48.8175.9176.1-107.9000112.7F255 L259 F266 C282 V283 A284 W289 K290F255-Y286 HydrophobicContact CE1-CD2 4.4Å; F255-Y286 HydrophobicContact CZ-CD2 4.12Å; L259-Y286 HydrophobicContact CD1-CD2 4.12Å; L259-Y286 HydrophobicContact CD1-CE2 4.11Å; L259-Y286 HydrophobicContact CD2-CD2 4.49Å; L259-Y286 HydrophobicContact CD2-CE2 4.24Å; F266-Y286 HydrophobicContact CE1-CD1 4.49Å; F266-Y286 HydrophobicContact CE1-CD2 4.24Å; F266-Y286 AromaticContact CE1-CG 3.9Å; F266-Y286 HydrophobicContact CE1-CG 3.9Å; F266-Y286 AromaticContact CZ-CD1 3.94Å; F266-Y286 HydrophobicContact CZ-CD1 3.94Å; F266-Y286 HydrophobicContact CZ-CD2 4.29Å; F266-Y286 AromaticContact CZ-CG 3.8Å; F266-Y286 HydrophobicContact CZ-CG 3.8Å; C282-Y286 PolarHBondContact O-N 3.04Å; V283-Y286 WeakPolarHBondContact O-CB 3.15Å; V283-Y286 PolarHBondContact O-N 2.67Å; A284-Y286 PolarHBondContact O-N 2.75Å; Y286-W289 HydrophobicContact CD2-CE3 4.32Å; Y286-W289 HydrophobicContact CD2-CZ3 4.36Å; Y286-W289 HydrophobicContact CE2-CZ3 4.31Å; Y286-K290 HydrophobicContact CE1-CD 4.4Å; Y286-K290 WeakPolarHBondContact O-CB 3.29Å; Y286-K290 PolarHBondContact O-N 3.04Å
287Y90.8Very high86.7Confident147 Ų14770.2 Ų70.258%0.57636%0.36SS*.Hα-helixtrans-71.2-28.9-178.5-75.3-73.6000113.6V283 A284 F285V283-Y287 HydrophobicContact CG1-CD2 4.21Å; V283-Y287 HydrophobicContact CG1-CE2 3.99Å; V283-Y287 VanDerWaalsContact O-CD2 3.31Å; V283-Y287 WeakPolarHBondContact O-CD2 3.15Å; V283-Y287 PolarHBondContact O-N 3.22Å; A284-Y287 PolarHBondContact O-N 3.21Å; F285-Y287 VanDerWaalsContact C-N 3.34Å; F285-Y287 PolarHBondContact O-N 3.41Å
288M85.8Confident86.4Confident137 Ų13770.9 Ų70.968%0.67536%0.363SS*.Hα-helixtrans-77.3-47.6174.5-67.4-60.8-71.300112A284 F285 K290 K291A284-M288 WeakPolarHBondContact O-CG 3.36Å; A284-M288 PolarHBondContact O-N 2.93Å; F285-M288 PolarHBondContact O-N 3.31Å; M288-K290 VanDerWaalsContact C-N 3.33Å; M288-K290 PolarHBondContact O-N 3.42Å; M288-K291 PolarHBondContact O-N 2.98Å
289W87.3Confident86Confident8 Ų869.1 Ų69.13%0.0335%0.352CS..Hα-helixtrans-60.2-40.6176.4170.585.3000111.7F255 E256 L259 F285 Y286 K291 S292 F295 F298F255-W289 HydrophobicContact CE1-CD2 4.45Å; F255-W289 HydrophobicContact CE1-CE3 4.17Å; F255-W289 HydrophobicContact CE1-CZ3 4.46Å; E256-W289 HydrophobicContact CG-CZ2 3.69Å; E256-W289 PolarHBondContact OE1-NE1 3.48Å; L259-W289 HydrophobicContact CD2-CE3 4.5Å; L259-W289 HydrophobicContact CD2-CH2 3.49Å; L259-W289 VanDerWaalsContact CD2-CH2 3.49Å; L259-W289 HydrophobicContact CD2-CZ3 3.41Å; L259-W289 VanDerWaalsContact CD2-CZ3 3.41Å; F285-W289 HydrophobicContact CD1-CB 4.19Å; F285-W289 HydrophobicContact CE1-CB 3.83Å; F285-W289 HydrophobicContact CE1-CG 4.01Å; F285-W289 HydrophobicContact CE2-CB 4.39Å; F285-W289 HydrophobicContact CZ-CB 3.94Å; F285-W289 HydrophobicContact CZ-CG 4.19Å; F285-W289 WeakPolarHBondContact O-CB 3.49Å; F285-W289 PolarHBondContact O-N 2.92Å; Y286-W289 HydrophobicContact CD2-CE3 4.32Å; Y286-W289 HydrophobicContact CD2-CZ3 4.36Å; Y286-W289 HydrophobicContact CE2-CZ3 4.31Å; W289-K291 PolarHBondContact O-N 2.81Å; W289-K291 VanDerWaalsContact O-N 3.09Å; W289-S292 VanDerWaalsContact O-CB 3.26Å; W289-S292 WeakPolarHBondContact O-CB 3.31Å; W289-S292 PolarHBondContact O-N 3.15Å; W289-F295 HydrophobicContact CD2-CB 4.41Å; W289-F295 HydrophobicContact CE3-CD2 4.04Å; W289-F295 AromaticContact CH2-CD2 3.59Å; W289-F295 HydrophobicContact CH2-CD2 3.59Å; W289-F295 HydrophobicContact CH2-CE2 4.27Å; W289-F295 HydrophobicContact CZ2-CD2 4.17Å; W289-F295 AromaticContact CZ3-CD2 3.5Å; W289-F295 HydrophobicContact CZ3-CD2 3.5Å; W289-F295 HydrophobicContact CZ3-CE2 4.08Å; W289-F295 VanDerWaalsContact O-CB 3.24Å; W289-F295 WeakPolarHBondContact O-CB 3.47Å; W289-F298 HydrophobicContact CH2-CB 4.44Å; W289-F298 AromaticContact CH2-CD1 3.6Å; W289-F298 HydrophobicContact CH2-CD1 3.6Å; W289-F298 HydrophobicContact CH2-CD2 4.47Å; W289-F298 AromaticContact CH2-CE1 3.87Å; W289-F298 HydrophobicContact CH2-CE1 3.87Å; W289-F298 AromaticContact CH2-CG 3.93Å; W289-F298 HydrophobicContact CH2-CG 3.93Å; W289-F298 HydrophobicContact CH2-CZ 4.41Å; W289-F298 HydrophobicContact CZ2-CB 3.87Å; W289-F298 AromaticContact CZ2-CD1 3.86Å; W289-F298 HydrophobicContact CZ2-CD1 3.86Å; W289-F298 HydrophobicContact CZ2-CD2 4.09Å; W289-F298 HydrophobicContact CZ2-CE1 4.42Å; W289-F298 AromaticContact CZ2-CG 3.67Å; W289-F298 HydrophobicContact CZ2-CG 3.67Å
290K87.1Confident85.3Confident98 Ų9873 Ų7343%0.42637%0.368SS..THydrogen-bonded Turntrans-60.2-18.1174.5-173.7179.9176-1660113.9Y286 M288 F295Y286-K290 HydrophobicContact CE1-CD 4.4Å; Y286-K290 WeakPolarHBondContact O-CB 3.29Å; Y286-K290 PolarHBondContact O-N 3.04Å; M288-K290 VanDerWaalsContact C-N 3.33Å; M288-K290 PolarHBondContact O-N 3.42Å; K290-F295 HydrophobicContact CG-CD1 4.12Å; K290-F295 HydrophobicContact CG-CD2 4.38Å; K290-F295 HydrophobicContact CG-CE1 3.98Å; K290-F295 HydrophobicContact CG-CE2 4.24Å; K290-F295 HydrophobicContact CG-CG 4.32Å; K290-F295 HydrophobicContact CG-CZ 4.04Å; K290-F295 WeakPolarHBondContact O-CD1 3.19Å
291K84.2Confident84.6Confident186 Ų18676 Ų7681%0.80937%0.369SS*.THydrogen-bonded Turntrans-99.77.6174.1-66.4-177.8178.2-178.50113.4M288 W289M288-K291 PolarHBondContact O-N 2.98Å; W289-K291 PolarHBondContact O-N 2.81Å; W289-K291 VanDerWaalsContact O-N 3.09Å
292S81.4Confident83.7Confident52 Ų5277.3 Ų77.336%0.36438%0.378SS..SBendtrans-99.1147.2177.7-176.80000110.8W289 R294 F295W289-S292 VanDerWaalsContact O-CB 3.26Å; W289-S292 WeakPolarHBondContact O-CB 3.31Å; W289-S292 PolarHBondContact O-N 3.15Å; S292-R294 PolarHBondContact O-N 3.5Å; S292-R294 PolarHBondContact OG-N 3.23Å; S292-F295 WeakPolarHBondContact O-CB 3.39Å; S292-F295 PolarHBondContact O-N 3.06Å
293E78.9Confident82.3Confident164 Ų16481.2 Ų81.277%0.76639%0.393SS*.Hα-helixtrans-49.7-27.8168.8-60.6170.1-177.900112.4F295 D296 V297E293-F295 VanDerWaalsContact C-N 3.31Å; E293-F295 PolarHBondContact O-N 3.18Å; E293-D296 PolarHBondContact O-N 3.35Å; E293-D296 VanDerWaalsContact O-N 3.15Å; E293-V297 WeakPolarHBondContact O-CG2 3.2Å; E293-V297 PolarHBondContact O-N 3.01Å
294R78.7Confident80.2Confident77 Ų7788.3 Ų88.329%0.29142%0.42SS..Hα-helixtrans-63.8-31.1175-172.6169.3172.7142.40.8113.2E256 S292 F298E256-R294 WeakPolarHBondContact OE1-CD 3.5Å; E256-R294 WeakPolarHBondContact OE1-CG 3.45Å; E256-R294 IonicContact OE1-CZ 3.57Å; E256-R294 IonicContact OE1-NE 2.72Å; E256-R294 PolarHBondContact OE1-NE 3.11Å; E256-R294 IonicContact OE1-NH2 3.14Å; E256-R294 IonicContact OE2-CZ 3.5Å; E256-R294 IonicContact OE2-NE 3.43Å; E256-R294 PolarHBondContact OE2-NE 3.26Å; E256-R294 IonicContact OE2-NH2 2.73Å; E256-R294 PolarHBondContact OE2-NH2 2.97Å; S292-R294 PolarHBondContact O-N 3.5Å; S292-R294 PolarHBondContact OG-N 3.23Å; R294-F298 WeakPolarHBondContact O-CB 3.41Å; R294-F298 PolarHBondContact O-N 3.5Å
295F80.8Confident78.4Confident43 Ų4388.8 Ų88.819%0.18943%0.431CS..Hα-helixtrans-69.8-40.4170.3170-105.2000111.6W289 K290 S292 E293 V297 F298 V299W289-F295 HydrophobicContact CD2-CB 4.41Å; W289-F295 HydrophobicContact CE3-CD2 4.04Å; W289-F295 AromaticContact CH2-CD2 3.59Å; W289-F295 HydrophobicContact CH2-CD2 3.59Å; W289-F295 HydrophobicContact CH2-CE2 4.27Å; W289-F295 HydrophobicContact CZ2-CD2 4.17Å; W289-F295 AromaticContact CZ3-CD2 3.5Å; W289-F295 HydrophobicContact CZ3-CD2 3.5Å; W289-F295 HydrophobicContact CZ3-CE2 4.08Å; W289-F295 VanDerWaalsContact O-CB 3.24Å; W289-F295 WeakPolarHBondContact O-CB 3.47Å; K290-F295 HydrophobicContact CG-CD1 4.12Å; K290-F295 HydrophobicContact CG-CD2 4.38Å; K290-F295 HydrophobicContact CG-CE1 3.98Å; K290-F295 HydrophobicContact CG-CE2 4.24Å; K290-F295 HydrophobicContact CG-CG 4.32Å; K290-F295 HydrophobicContact CG-CZ 4.04Å; K290-F295 WeakPolarHBondContact O-CD1 3.19Å; S292-F295 WeakPolarHBondContact O-CB 3.39Å; S292-F295 PolarHBondContact O-N 3.06Å; E293-F295 VanDerWaalsContact C-N 3.31Å; E293-F295 PolarHBondContact O-N 3.18Å; F295-V297 VanDerWaalsContact C-N 3.34Å; F295-V297 PolarHBondContact O-N 2.88Å; F295-F298 PolarHBondContact O-N 3.35Å; F295-V299 HydrophobicContact CD1-CG2 4.29Å; F295-V299 HydrophobicContact CD2-CG2 4.01Å; F295-V299 HydrophobicContact CE1-CG2 3.85Å; F295-V299 HydrophobicContact CE2-CG2 3.55Å; F295-V299 HydrophobicContact CG-CG2 4.38Å; F295-V299 HydrophobicContact CZ-CG2 3.45Å; F295-V299 VanDerWaalsContact CZ-CG2 3.45Å; F295-V299 WeakPolarHBondContact O-CB 3.49Å; F295-V299 WeakPolarHBondContact O-CG2 3.21Å; F295-V299 PolarHBondContact O-N 3.26Å
296D79.1Confident76.5Confident83 Ų8396 Ų9644%0.44446%0.463SS..Hα-helixtrans-63.5-42.2177-61.5-50.8000111.1E293 V299 Q300E293-D296 PolarHBondContact O-N 3.35Å; E293-D296 VanDerWaalsContact O-N 3.15Å; D296-V299 PolarHBondContact O-N 3.45Å; D296-Q300 WeakPolarHBondContact O-CB 3.29Å; D296-Q300 VanDerWaalsContact O-CG 3.22Å; D296-Q300 WeakPolarHBondContact O-CG 3.41Å; D296-Q300 PolarHBondContact O-N 2.86Å; D296-Q300 PolarHBondContact O-NE2 2.77Å
297V80.3Confident74.4Confident67 Ų67105.2 Ų105.241%0.40650%0.503SS..Hα-helixtrans-62.3-44.2172173.80000111.6E293 F295 V299 Q300 Q301E293-V297 WeakPolarHBondContact O-CG2 3.2Å; E293-V297 PolarHBondContact O-N 3.01Å; F295-V297 VanDerWaalsContact C-N 3.34Å; F295-V297 PolarHBondContact O-N 2.88Å; V297-V299 PolarHBondContact O-N 3.25Å; V297-Q300 PolarHBondContact O-N 3.06Å; V297-Q301 HydrophobicContact CG1-CG 4.33Å; V297-Q301 WeakPolarHBondContact O-CB 3.5Å; V297-Q301 VanDerWaalsContact O-CG 3.31Å; V297-Q301 WeakPolarHBondContact O-CG 3.49Å; V297-Q301 PolarHBondContact O-N 3.27Å
298F80.9Confident72.4Confident31 Ų31107.4 Ų107.414%0.13652%0.516CS..Hα-helixtrans-60.9-42.1175.3174.6-90.2000112.1E256 L259 W289 R294 F295 Q301 N302E256-F298 HydrophobicContact CB-CD2 4.08Å; E256-F298 HydrophobicContact CB-CE2 3.95Å; E256-F298 HydrophobicContact CG-CD2 4.16Å; E256-F298 HydrophobicContact CG-CE2 4.42Å; L259-F298 HydrophobicContact CD2-CE1 4.45Å; W289-F298 HydrophobicContact CH2-CB 4.44Å; W289-F298 AromaticContact CH2-CD1 3.6Å; W289-F298 HydrophobicContact CH2-CD1 3.6Å; W289-F298 HydrophobicContact CH2-CD2 4.47Å; W289-F298 AromaticContact CH2-CE1 3.87Å; W289-F298 HydrophobicContact CH2-CE1 3.87Å; W289-F298 AromaticContact CH2-CG 3.93Å; W289-F298 HydrophobicContact CH2-CG 3.93Å; W289-F298 HydrophobicContact CH2-CZ 4.41Å; W289-F298 HydrophobicContact CZ2-CB 3.87Å; W289-F298 AromaticContact CZ2-CD1 3.86Å; W289-F298 HydrophobicContact CZ2-CD1 3.86Å; W289-F298 HydrophobicContact CZ2-CD2 4.09Å; W289-F298 HydrophobicContact CZ2-CE1 4.42Å; W289-F298 AromaticContact CZ2-CG 3.67Å; W289-F298 HydrophobicContact CZ2-CG 3.67Å; R294-F298 WeakPolarHBondContact O-CB 3.41Å; R294-F298 PolarHBondContact O-N 3.5Å; F295-F298 PolarHBondContact O-N 3.35Å; F298-Q301 PolarHBondContact O-N 3.05Å; F298-N302 VanDerWaalsContact O-CB 3.23Å; F298-N302 WeakPolarHBondContact O-CB 3.49Å; F298-N302 PolarHBondContact O-N 3.43Å
299V81.3Confident70.3Confident35 Ų35110.3 Ų110.321%0.21252%0.52CS..Hα-helixtrans-65.5-41.5176.2168.70000111.1F295 D296 V297 R303F295-V299 HydrophobicContact CD1-CG2 4.29Å; F295-V299 HydrophobicContact CD2-CG2 4.01Å; F295-V299 HydrophobicContact CE1-CG2 3.85Å; F295-V299 HydrophobicContact CE2-CG2 3.55Å; F295-V299 HydrophobicContact CG-CG2 4.38Å; F295-V299 HydrophobicContact CZ-CG2 3.45Å; F295-V299 VanDerWaalsContact CZ-CG2 3.45Å; F295-V299 WeakPolarHBondContact O-CB 3.49Å; F295-V299 WeakPolarHBondContact O-CG2 3.21Å; F295-V299 PolarHBondContact O-N 3.26Å; D296-V299 PolarHBondContact O-N 3.45Å; V297-V299 PolarHBondContact O-N 3.25Å; V299-R303 HydrophobicContact CG1-CG 4.35Å; V299-R303 WeakPolarHBondContact O-CB 3.4Å; V299-R303 WeakPolarHBondContact O-CG 3.27Å; V299-R303 PolarHBondContact O-N 2.83Å
300Q78.3Confident67.9Low119 Ų119113 Ų11356%0.55654%0.541SS*.Hα-helixtrans-63.1-48.7174.9-71.3167.240.100111.6D296 V297 R303D296-Q300 WeakPolarHBondContact O-CB 3.29Å; D296-Q300 VanDerWaalsContact O-CG 3.22Å; D296-Q300 WeakPolarHBondContact O-CG 3.41Å; D296-Q300 PolarHBondContact O-N 2.86Å; D296-Q300 PolarHBondContact O-NE2 2.77Å; V297-Q300 PolarHBondContact O-N 3.06Å; Q300-R303 PolarHBondContact O-N 3.41Å
301Q76.8Confident65.7Low134 Ų134112.2 Ų112.263%0.62655%0.548SS*.Hα-helixtrans-62.1-45.3178.5-71.7177.24.200111.9V297 F298 R303 F304V297-Q301 HydrophobicContact CG1-CG 4.33Å; V297-Q301 WeakPolarHBondContact O-CB 3.5Å; V297-Q301 VanDerWaalsContact O-CG 3.31Å; V297-Q301 WeakPolarHBondContact O-CG 3.49Å; V297-Q301 PolarHBondContact O-N 3.27Å; F298-Q301 PolarHBondContact O-N 3.05Å; Q301-R303 VanDerWaalsContact C-N 3.29Å; Q301-R303 PolarHBondContact O-N 3.13Å; Q301-F304 PolarHBondContact O-N 3.43Å
302N71Confident63.6Low86 Ų86110.5 Ų110.546%0.4654%0.537SS..Hα-helixtrans-74.4-16.6178.6-160.645.7000113Q260 F298 F304Q260-N302 PolarHBondContact NE2-OD1 3.49Å; F298-N302 VanDerWaalsContact O-CB 3.23Å; F298-N302 WeakPolarHBondContact O-CB 3.49Å; F298-N302 PolarHBondContact O-N 3.43Å; N302-F304 VanDerWaalsContact C-N 3.31Å; N302-F304 PolarHBondContact O-N 3.35Å
303R61.6Low61.9Low81 Ų81114.1 Ų114.131%0.30656%0.559SS.*Hα-helixtrans-74.3-13173.2-89.2175.3175.4-176.20.7114.1V299 Q300 Q301 G305 K306 Y309 S310 S311V299-R303 HydrophobicContact CG1-CG 4.35Å; V299-R303 WeakPolarHBondContact O-CB 3.4Å; V299-R303 WeakPolarHBondContact O-CG 3.27Å; V299-R303 PolarHBondContact O-N 2.83Å; Q300-R303 PolarHBondContact O-N 3.41Å; Q301-R303 VanDerWaalsContact C-N 3.29Å; Q301-R303 PolarHBondContact O-N 3.13Å; R303-G305 PolarHBondContact O-N 2.89Å; R303-K306 PolarHBondContact O-N 2.91Å; R303-Y309 PolarHBondContact NH1-O 3.44Å; R303-S310 PolarHBondContact NH2-O 3.3Å; R303-S311 PolarHBondContact NH1-OG 2.84Å
304F49.5Very low60.5Low196 Ų196108.8 Ų108.886%0.8655%0.548SS*.THydrogen-bonded Turntrans-56.5-17.7177.3-96.8-92.9000114.3Q301 N302Q301-F304 PolarHBondContact O-N 3.43Å; N302-F304 VanDerWaalsContact C-N 3.31Å; N302-F304 PolarHBondContact O-N 3.35Å
305G52.6Low58.9Low69 Ų69111.4 Ų111.471%0.71157%0.572SS**THydrogen-bonded Turntrans-83.8-21.9172.600000116.4R303R303-G305 PolarHBondContact O-N 2.89Å
306K49Very low57.7Low178 Ų178113.7 Ų113.777%0.77459%0.59SS**  trans-149.994.3-169.8-66.5-174.7-177.91750113.7R303 K308R303-K306 PolarHBondContact O-N 2.91Å; K306-K308 PolarHBondContact O-N 3.39Å
307K47.9Very low56.8Low218 Ų218113.6 Ų113.695%0.94859%0.59SS**  trans-67.963.3169.3-77.8-170170.2-174.90113.5
308K47.8Very low55.9Low194 Ų194116 Ų11684%0.84360%0.6SS**  trans-149.757.7167.6-76-155.8177.8-1740114.3K306K306-K308 PolarHBondContact O-N 3.39Å
309Y42.8Very low55.3Low197 Ų197120.7 Ų120.777%0.77362%0.624SS**  trans-158.1139.9139.5-137.9-96000110R303R303-Y309 PolarHBondContact NH1-O 3.44Å
310S35.3Very low54.7Low66 Ų66123.3 Ų123.346%0.46264%0.636SS.*  trans-67.3152.9175166.10000111R303 Y312R303-S310 PolarHBondContact NH2-O 3.3Å; S310-Y312 WeakPolarHBondContact OG-CD2 3.31Å; S310-Y312 WeakPolarHBondContact OG-CE2 3.43Å
311S41.1Very low54.2Low81 Ų81123.8 Ų123.857%0.56663%0.633SS**  trans-121.6126.1143.7-69.90000107.4R303R303-S311 PolarHBondContact NH1-OG 2.84Å
312Y40.3Very low53.8Low150 Ų150121.7 Ų121.759%0.58863%0.625SS**  trans-129135.5158.8-67.4-58.2000106S310 D317S310-Y312 WeakPolarHBondContact OG-CD2 3.31Å; S310-Y312 WeakPolarHBondContact OG-CE2 3.43Å; Y312-D317 HydrophobicContact CE1-CB 3.81Å; Y312-D317 PolarHBondContact OH-OD2 3.1Å
313P45.3Very low53.9Low127 Ų127121.1 Ų121.183%0.82563%0.625SS**SBend-92.6155.579.6-21.836.2000114.3
314G50.4Low54.4Low52 Ų52123 Ų12354%0.53664%0.641SS.*SBendtrans-78-177.9-163.400000117.5
315V45.3Very low55.4Low132 Ų132118.3 Ų118.380%0.862%0.622SS**SBendtrans88-45.5173.1-170.50000117.2
316T54.1Low55.9Low91 Ų91118 Ų11856%0.55861%0.613SS**Hα-helixtrans-68.5-40.4-175.759.60000113.6L318 M319 D320T316-L318 PolarHBondContact O-N 3.43Å; T316-M319 WeakPolarHBondContact O-CA 3.32Å; T316-M319 WeakPolarHBondContact O-CB 3.36Å; T316-M319 PolarHBondContact O-N 3.1Å; T316-D320 PolarHBondContact O-N 3Å
317D60.2Low56.3Low82 Ų82115.9 Ų115.944%0.43961%0.606SS.*Hα-helixtrans-56.4-25.2-172.7-160.561.7000114.1Y312 R321Y312-D317 HydrophobicContact CE1-CB 3.81Å; Y312-D317 PolarHBondContact OH-OD2 3.1Å; D317-R321 VanDerWaalsContact O-CB 3.28Å; D317-R321 WeakPolarHBondContact O-CB 3.5Å; D317-R321 PolarHBondContact O-N 2.72Å
318L62Low56.8Low117 Ų117108 Ų10861%0.61359%0.587SS**Hα-helixtrans-77.6-36173.5-178.660.8000113T316 L322T316-L318 PolarHBondContact O-N 3.43Å; L318-L322 HydrophobicContact CG-CD1 4.41Å; L318-L322 WeakPolarHBondContact O-CB 3.19Å; L318-L322 WeakPolarHBondContact O-CD1 3.46Å; L318-L322 WeakPolarHBondContact O-CG 3.44Å; L318-L322 PolarHBondContact O-N 2.99Å
319M68.8Low57Low130 Ų130105.7 Ų105.764%0.6458%0.583SS**Hα-helixtrans-70.8-45.7175.3-70.2-70.1-171.500110.4T316 R321 L322 V323T316-M319 WeakPolarHBondContact O-CA 3.32Å; T316-M319 WeakPolarHBondContact O-CB 3.36Å; T316-M319 PolarHBondContact O-N 3.1Å; M319-R321 VanDerWaalsContact C-N 3.33Å; M319-R321 PolarHBondContact O-N 3.38Å; M319-L322 WeakPolarHBondContact O-CA 3.29Å; M319-L322 WeakPolarHBondContact O-CB 3.44Å; M319-L322 PolarHBondContact O-N 2.72Å; M319-V323 WeakPolarHBondContact O-CG2 3.45Å; M319-V323 PolarHBondContact O-N 2.94Å
320D67.6Low57.3Low89 Ų8999.8 Ų99.848%0.47657%0.574SS.*Hα-helixtrans-61.3-43.5179.7-60-35.1000110.6T316 L322 V323 D324T316-D320 PolarHBondContact O-N 3Å; D320-L322 VanDerWaalsContact C-N 3.28Å; D320-L322 PolarHBondContact O-N 3.46Å; D320-V323 PolarHBondContact O-N 2.9Å; D320-V323 VanDerWaalsContact O-N 3.15Å; D320-D324 PolarHBondContact O-N 3.24Å
321R68.6Low58.1Low130 Ų130102 Ų10249%0.49159%0.585SS.*Hα-helixtrans-64.9-27.3174.6-154.2-159.973.367.47113.7D317 M319 E325D317-R321 VanDerWaalsContact O-CB 3.28Å; D317-R321 WeakPolarHBondContact O-CB 3.5Å; D317-R321 PolarHBondContact O-N 2.72Å; M319-R321 VanDerWaalsContact C-N 3.33Å; M319-R321 PolarHBondContact O-N 3.38Å; R321-E325 IonicContact CZ-OE2 2.72Å; R321-E325 IonicContact NH1-OE2 2.77Å; R321-E325 PolarHBondContact NH1-OE2 2.87Å; R321-E325 IonicContact NH2-OE2 3.55Å; R321-E325 PolarHBondContact NH2-OE2 3.25Å; R321-E325 WeakPolarHBondContact O-CB 3.28Å; R321-E325 PolarHBondContact O-N 2.87Å
322L67.6Low58Low89 Ų89105.4 Ų105.447%0.46660%0.597SS.*Hα-helixtrans-78.4-31.4173.8-82.6165.7000112.3L318 M319 D320 A326L318-L322 HydrophobicContact CG-CD1 4.41Å; L318-L322 WeakPolarHBondContact O-CB 3.19Å; L318-L322 WeakPolarHBondContact O-CD1 3.46Å; L318-L322 WeakPolarHBondContact O-CG 3.44Å; L318-L322 PolarHBondContact O-N 2.99Å; M319-L322 WeakPolarHBondContact O-CA 3.29Å; M319-L322 WeakPolarHBondContact O-CB 3.44Å; M319-L322 PolarHBondContact O-N 2.72Å; D320-L322 VanDerWaalsContact C-N 3.28Å; D320-L322 PolarHBondContact O-N 3.46Å; L322-A326 VanDerWaalsContact O-CB 3.32Å; L322-A326 WeakPolarHBondContact O-CB 3.49Å; L322-A326 PolarHBondContact O-N 3.23Å
323V74.4Confident58.2Low75 Ų75103.4 Ų103.446%0.45560%0.604SS.*Hα-helixtrans-69-49.1172.21730000110.2M319 D320 E325 A326 E327M319-V323 WeakPolarHBondContact O-CG2 3.45Å; M319-V323 PolarHBondContact O-N 2.94Å; D320-V323 PolarHBondContact O-N 2.9Å; D320-V323 VanDerWaalsContact O-N 3.15Å; V323-E325 VanDerWaalsContact C-N 3.29Å; V323-E325 PolarHBondContact O-N 3.31Å; V323-A326 PolarHBondContact O-N 2.69Å; V323-A326 VanDerWaalsContact O-N 3.1Å; V323-E327 HydrophobicContact CG1-CG 4.38Å; V323-E327 PolarHBondContact O-N 3.1Å
324D71.6Confident57.8Low120 Ų120102.7 Ų102.764%0.64260%0.602SS**Hα-helixtrans-54-43.9174-86.2-3.4000112.1D320 G328D320-D324 PolarHBondContact O-N 3.24Å; D324-G328 PolarHBondContact O-N 3.05Å
325E70.9Confident56.9Low97 Ų97106.3 Ų106.345%0.45362%0.62SS.*Hα-helixtrans-70.6-30.9179.6-166.5172.7151.500112.4R321 V323 L329R321-E325 IonicContact CZ-OE2 2.72Å; R321-E325 IonicContact NH1-OE2 2.77Å; R321-E325 PolarHBondContact NH1-OE2 2.87Å; R321-E325 IonicContact NH2-OE2 3.55Å; R321-E325 PolarHBondContact NH2-OE2 3.25Å; R321-E325 WeakPolarHBondContact O-CB 3.28Å; R321-E325 PolarHBondContact O-N 2.87Å; V323-E325 VanDerWaalsContact C-N 3.29Å; V323-E325 PolarHBondContact O-N 3.31Å; E325-L329 WeakPolarHBondContact O-CD1 3.3Å; E325-L329 WeakPolarHBondContact O-CG 3.4Å
326A62.5Low56.3Low63 Ų63105 Ų10552%0.52162%0.616SS.*Hα-helixtrans-76.5-41.2175.300000113L322 V323L322-A326 VanDerWaalsContact O-CB 3.32Å; L322-A326 WeakPolarHBondContact O-CB 3.49Å; L322-A326 PolarHBondContact O-N 3.23Å; V323-A326 PolarHBondContact O-N 2.69Å; V323-A326 VanDerWaalsContact O-N 3.1Å
327E58.8Low55.4Low134 Ų134107.1 Ų107.163%0.62663%0.629SS**Hα-helixtrans-72.6-37.1178.7-67.9-166.2179.500111.8V323 L329 A330V323-E327 HydrophobicContact CG1-CG 4.38Å; V323-E327 PolarHBondContact O-N 3.1Å; E327-L329 PolarHBondContact O-N 3.23Å; E327-A330 WeakPolarHBondContact O-CB 3.49Å; E327-A330 PolarHBondContact O-N 3.36Å; E327-A330 VanDerWaalsContact O-N 3.08Å
328G57Low54Low53 Ų53109.1 Ų109.155%0.54665%0.648SS.*Hα-helixtrans-59.6-31.8174.900000114D324D324-G328 PolarHBondContact O-N 3.05Å
329L52.1Low52.7Low145 Ų145109.9 Ų109.976%0.75966%0.663SS**THydrogen-bonded Turntrans-84.2-7.3177.6-67.7174.1000114E325 E327E325-L329 WeakPolarHBondContact O-CD1 3.3Å; E325-L329 WeakPolarHBondContact O-CG 3.4Å; E327-L329 PolarHBondContact O-N 3.23Å
330A49.2Very low50.8Low73 Ų73107.1 Ų107.160%0.60367%0.668SS**THydrogen-bonded Turntrans-90.7-16.2-176.600000114.4E327E327-A330 WeakPolarHBondContact O-CB 3.49Å; E327-A330 PolarHBondContact O-N 3.36Å; E327-A330 VanDerWaalsContact O-N 3.08Å
331V51.4Low49.1Very low112 Ų112108.3 Ų108.368%0.67969%0.69SS**SBendtrans-85.5-30-169.2175.10000113.7S333V331-S333 PolarHBondContact O-N 3.3Å
332D40.2Very low47.2Very low153 Ų153106.1 Ų106.182%0.81871%0.708SS**THydrogen-bonded Turntrans-74.830.5-175.2-82.8-2.7000114.3
333S44Very low45.4Very low107 Ų107105.7 Ų105.775%0.74873%0.725SS**THydrogen-bonded Turntrans-145.633.1-178.8-79.60000115.8V331V331-S333 PolarHBondContact O-N 3.3Å
334S37.9Very low43.3Very low112 Ų112106.2 Ų106.278%0.78375%0.746SS**  trans-173.6108.8143-87.40000115.3
335S30.6Very low41.2Very low128 Ų128104.2 Ų104.290%0.89575%0.754SS**  -175.7143.8128.442.30000112.8
336S33.6Very low39.3Very low104 Ų104109.9 Ų109.973%0.72777%0.771SS**  trans-100.8153.3153.258.50000107.1
337V34.3Very low37.9Very low137 Ų137113.5 Ų113.583%0.8378%0.779SS**  -164170.274.5-78.70000113
338C31.8Very low36.7Very low124 Ų124115 Ų11584%0.83879%0.785SS**  trans-58.4141.6-171.5-46.80000117.4
339S34.1Very low35.3Very low133 Ų133116.8 Ų116.893%0.9380%0.795SS**  -157.2156.6128.5-79.60000108.6
340G29Very low34.4Very low72 Ų72116 Ų11674%0.74280%0.796SS**  trans-168.3-146.6-169.400000116.2
341A30.7Very low33.9Very low114 Ų114119.7 Ų119.794%0.94281%0.811SS**  trans83.9130.6-162.500000114
342G29.2Very low33.3Very low83 Ų83123 Ų12386%0.85682%0.819SS**  trans-177.4-45.2-177.200000116.1
343G30.4Very low33.2Very low80 Ų80123.8 Ų123.883%0.82582%0.818SS**  trans82.4172.8171.100000116.7
344G29.1Very low33Very low87 Ų87126.6 Ų126.690%0.89782%0.82SS**  trans81131.6179.100000114.2
345G28.8Very low33.2Very low78 Ų78129.3 Ų129.380%0.80482%0.824SS**  trans-170.8-179.417400000114.1
346R31.6Very low33.5Very low216 Ų216127.3 Ų127.382%0.81581%0.811SS**  trans102105.6166.1-164.3177.5-177.3-151.9-5.6117.6
347M32.6Very low33.7Very low139 Ų139128.5 Ų128.569%0.68581%0.808SS**  trans69.6150.7151.6-66.3167.374.600118.9
348E32.5Very low34.2Very low165 Ų165129.7 Ų129.777%0.77181%0.809SS**  cis169.4130.2-29.1165.9168.5-13800107
349A29.1Very low35.1Very low90 Ų90131 Ų13174%0.74481%0.808SS**  trans-153.780.6179.200000113.5
350T31.3Very low35.6Very low129 Ų129129.2 Ų129.279%0.79180%0.795SS**  trans37.9103.9147.456.10000119.9E352T350-E352 PolarHBondContact O-N 2.84Å
351T40.7Very low36.7Very low150 Ų150132.4 Ų132.492%0.9279%0.794SS**  trans-86.567.5165.852.90000112.7
352E38Very low38.2Very low181 Ų181131.1 Ų131.185%0.84677%0.774SS**  trans-133.764.7176.2-72.1-160.1156.500113.1T350T350-E352 PolarHBondContact O-N 2.84Å
353Q38.5Very low39Very low170 Ų170131.5 Ų131.579%0.79477%0.769SS**SBendtrans-152.8-1.7171.3-120.9168.919.500117.3
354Q38.7Very low39.8Very low167 Ų167132 Ų13278%0.7876%0.76SS**SBendtrans-99.8-3.6-174.7-72.6-81.8-81.100114.9
355L42Very low40.9Very low168 Ų168131.9 Ų131.988%0.8874%0.739SS**SBendtrans-101.72.3-174.2-70.6173.7000115.3
356S37.2Very low41.9Very low87 Ų87133.8 Ų133.861%0.60873%0.73SS**SBendtrans-95.7-16.8-179.956.80000114.9
357L38.9Very low42.9Very low129 Ų129127.7 Ų127.768%0.67572%0.717SS**THydrogen-bonded Turntrans-84.5-5.9-170.7-73.3171.2000115.5
358L44.7Very low43.4Very low162 Ų162124.3 Ų124.385%0.84871%0.711SS**THydrogen-bonded Turntrans-112.318.7-174.8-63.9178.5000114.3
359N49Very low43.9Very low152 Ų152122.6 Ų122.681%0.81371%0.706SS**SBendtrans-123.822.9-179.2-91.5-47000113.8
360S45.8Very low44.6Very low94 Ų94122.5 Ų122.566%0.65770%0.7SS**  trans-139.942-175.3620000114.4
361I51.5Low45.1Very low140 Ų140122.2 Ų122.272%0.71869%0.694SS**  trans-115.9124.7161-58.5176.9000107
362T62.2Low45.2Very low86 Ų86120.4 Ų120.453%0.52868%0.683SS.*  trans-110160.1176.568.90000110.7S364 D365T362-S364 PolarHBondContact O-N 3.49Å; T362-D365 PolarHBondContact N-OD2 3.12Å; T362-D365 PolarHBondContact O-N 3.24Å; T362-D365 VanDerWaalsContact O-N 3.08Å; T362-D365 PolarHBondContact OG1-OD2 3.31Å
363A46Very low45.3Very low91 Ų91118 Ų11875%0.75268%0.68SS**THydrogen-bonded Turntrans-65.60-175.300000115
364S48.4Very low45.3Very low90 Ų90113.6 Ų113.663%0.62967%0.673SS**THydrogen-bonded Turntrans-93.8-16174.3-58.70000113.9T362 T367T362-S364 PolarHBondContact O-N 3.49Å; S364-T367 PolarHBondContact O-OG1 3.3Å; S364-T367 VanDerWaalsContact O-OG1 3.07Å
365D50.5Low45.5Very low85 Ų85111.2 Ų111.246%0.45567%0.67SS.*THydrogen-bonded Turntrans-79.1-29.5-178.9-59.6-63.4000111.6T362 T367 A368T362-D365 PolarHBondContact N-OD2 3.12Å; T362-D365 PolarHBondContact O-N 3.24Å; T362-D365 VanDerWaalsContact O-N 3.08Å; T362-D365 PolarHBondContact OG1-OD2 3.31Å; D365-T367 PolarHBondContact O-N 3.03Å; D365-A368 PolarHBondContact O-N 2.76Å
366L50.2Low45.2Very low118 Ų118109.7 Ų109.762%0.61867%0.668SS**Hα-helixtrans-71.3-28.4179.5-63.2176.8000113.3A368L366-A368 VanDerWaalsContact C-N 3.3Å; L366-A368 PolarHBondContact O-N 2.91Å
367T52.3Low45Very low88 Ų88112.1 Ų112.154%0.5468%0.683SS.*Hα-helixtrans-77.4-13.2176.240.60000113.5S364 D365 N371S364-T367 PolarHBondContact O-OG1 3.3Å; S364-T367 VanDerWaalsContact O-OG1 3.07Å; D365-T367 PolarHBondContact O-N 3.03Å; T367-N371 PolarHBondContact O-ND2 3.12Å
368A44.9Very low44.7Very low68 Ų68110.6 Ų110.656%0.56269%0.689SS**Hα-helixtrans-74.3-40.7172.200000111.9D365 L366D365-A368 PolarHBondContact O-N 2.76Å; L366-A368 VanDerWaalsContact C-N 3.3Å; L366-A368 PolarHBondContact O-N 2.91Å
369L42.7Very low44.3Very low129 Ų129109.5 Ų109.568%0.67569%0.692SS**Hα-helixtrans-73.5-29.8-179.2-74.1166.4000113.3N371 T372L369-N371 PolarHBondContact O-N 3.07Å; L369-T372 PolarHBondContact O-N 3.27Å
370S42.8Very low43.5Very low88 Ų88105.5 Ų105.562%0.61569%0.686SS**THydrogen-bonded Turntrans-67.2-18-177.9-166.20000114.8
371N43.2Very low42.8Very low123 Ų123110.1 Ų110.166%0.65870%0.698SS**THydrogen-bonded Turntrans-92.4-12.7-177.4-70.6-51.8000113.6T367 L369T367-N371 PolarHBondContact O-ND2 3.12Å; L369-N371 PolarHBondContact O-N 3.07Å
372T42.3Very low41.9Very low113 Ų113110.9 Ų110.969%0.69371%0.708SS**SBendtrans-84.1-9.8-176.2-37.90000113.4L369L369-T372 PolarHBondContact O-N 3.27Å
373V40.4Very low40.2Very low129 Ų129111.9 Ų111.978%0.78272%0.719SS**SBendtrans-100.8-7.5-179.5-172.80000112T375V373-T375 VanDerWaalsContact C-N 3.3Å; V373-T375 PolarHBondContact O-N 3.08Å
374A38Very low39.4Very low78 Ų78113.8 Ų113.865%0.64573%0.725SS**SBendtrans-88.120.8-174.600000114.4
375T42.1Very low38.6Very low117 Ų117117.3 Ų117.372%0.71874%0.736SS**SBendtrans-150.7140175.1-590000109.6V373V373-T375 VanDerWaalsContact C-N 3.3Å; V373-T375 PolarHBondContact O-N 3.08Å
376V36.2Very low37.5Very low137 Ų137120.3 Ų120.383%0.8375%0.752SS**SBendtrans79.173.6-166.5-167.20000113.8
377C33.5Very low36.4Very low137 Ų137120 Ų12093%0.92676%0.76SS**  trans-162.396.4142.8-113.10000108.1
378A32.1Very low35.4Very low97 Ų97127 Ų12780%0.80278%0.778SS**  trans-100.7130.6167.500000107.7G380A378-G380 PolarHBondContact O-N 2.82Å
379P35.6Very low34.5Very low140 Ų140129.5 Ų129.591%0.90979%0.792SS**  trans-74.2127-178.729.5-33000110.5
380G33.4Very low33.9Very low68 Ų68133 Ų13370%0.70180%0.802SS**  trans-144106.4174.200000109.7A378A378-G380 PolarHBondContact O-N 2.82Å
381E30.2Very low33.4Very low191 Ų191134.3 Ų134.389%0.89381%0.808SS**  trans24.4106.2158-61.7178.8-139.400119.3
382V32.8Very low33.1Very low155 Ų155134.1 Ų134.194%0.93981%0.813SS**  -160.1126.4120.8-99.90000110.3
383S27.7Very low32.5Very low108 Ų108136.8 Ų136.876%0.75582%0.822SS**  trans-126.3114.3165.2-178.10000109
384C28.4Very low31.9Very low130 Ų130139 Ų13988%0.87883%0.825SS**  trans-97.588.7178.251.80000110
385L32Very low31.6Very low164 Ų164140.1 Ų140.186%0.85983%0.827SS**  trans-81.2125174.4-101.9169000111.2
386D25.8Very low31Very low149 Ų149142.5 Ų142.580%0.79784%0.835SS**  trans-96.4107.9171.7-179.320.1000109.8
387S28.9Very low30.8Very low112 Ų112143.3 Ų143.378%0.78383%0.829SS**  trans174.4120158.8-840000112.2
388Y30.4Very low30.7Very low234 Ų234147.9 Ų147.992%0.91883%0.827SS**  trans-114.4108.4166.4-95.3-75.4000111.6
389S27.1Very low30.4Very low121 Ų121146.5 Ų146.585%0.84682%0.822SS**  trans-173.5121.5149.5-84.20000111.4
390F29.5Very low30Very low203 Ų203145.5 Ų145.589%0.8982%0.819SS**  trans-117156.5173.5-88.8-86.8000111.3
391P31Very low29.7Very low114 Ų114150.4 Ų150.474%0.7483%0.828SS**  trans-91.1164.8-172.936.9-35.3000114.1
392P37.2Very low29.4Very low120 Ų120145.9 Ų145.978%0.77982%0.818SS**  trans-101.5159.6178.838.6-34.3000113.9
393L29.8Very low29.1Very low168 Ų168147.6 Ų147.688%0.8882%0.815SS**  trans-172.9167.4143.2-109.5171.1000114.8
394E29.4Very low29.1Very low177 Ų177149 Ų14983%0.82781%0.814SS**  trans65.6149.9171.3-49.1-153.5134.500119.3
395S30.5Very low29Very low100 Ų100150 Ų15070%0.69981%0.805SS**  cis144.2123.1-33.8175.20000111.4
396L29.5Very low28.9Very low168 Ų168147.4 Ų147.488%0.8880%0.801SS**  trans-173.1178.9140.5-105.4169.3000113.4
397H32.8Very low29.1Very low153 Ų153146.6 Ų146.671%0.70880%0.796SS**  trans-110.8169.1-168.4-78.335.4000112.5
398R30.6Very low29Very low233 Ų233144.4 Ų144.488%0.87979%0.792SS**  cis-149.7-166.415.6-131.1159.2-160.8162.17.9108.5
399G26.4Very low29Very low69 Ų69142 Ų14271%0.71179%0.786SS**  cis-176-138.112.100000112.2
400S27Very low29.8Very low119 Ų119142.1 Ų142.183%0.83278%0.784SS**  trans-155.6143.4-179.2176.70000113.8
401L26.6Very low29.8Very low170 Ų170137.3 Ų137.389%0.8978%0.776SS**  trans-170.2168.7136-106.2171.2000111.3
402S24.3Very low29.8Very low97 Ų97139.5 Ų139.568%0.67878%0.781SS**  trans-128.7144.2-161.8550000114.7
403H26.1Very low29.5Very low191 Ų191137.6 Ų137.688%0.88478%0.783SS**  trans-159.3167.7137.4-130.7-89.3000114.2
404D28.5Very low29.5Very low136 Ų136134.6 Ų134.673%0.72778%0.783SS**  trans-78.4164-170.7-129-69.8000116.1
405E26.1Very low29.7Very low151 Ų151133.7 Ų133.771%0.70678%0.784SS**  -171.3148.4105.6-165167.2116.400112.3
406S30.2Very low30.7Very low110 Ų110133.7 Ų133.777%0.76978%0.781SS**  trans-152.1147.4164-78.10000112.7
407L29Very low30.9Very low133 Ų133132.5 Ų132.570%0.69678%0.776SS**  trans-134.7146.9178.9-51.4170.2000107.7F409L407-F409 HydrophobicContact CD2-CE2 4.28Å; L407-F409 HydrophobicContact CD2-CZ 4.01Å
408G27Very low30.9Very low66 Ų66129.8 Ų129.868%0.6877%0.773SS**  cis167.7158.3-5.100000109.4
409F31.5Very low31Very low183 Ų183125.7 Ų125.780%0.80377%0.768SS**  cis-139.5-86.32.3-89.5-76000115.9L407L407-F409 HydrophobicContact CD2-CE2 4.28Å; L407-F409 HydrophobicContact CD2-CZ 4.01Å
410P43.5Very low31.3Very low123 Ų123128.6 Ų128.680%0.79977%0.767SS**  -127.4155.4-127.938.4-24.3000118.7
411S28.2Very low31.6Very low103 Ų103129.9 Ų129.972%0.7276%0.761SS**SBend-162.8143.4120.1-1680000112.9
412N31.5Very low31.9Very low159 Ų159128.9 Ų128.985%0.8576%0.756SS**  trans95.4123170.4-54.1-6.3000114.7
413G30.3Very low32Very low80 Ų80131.8 Ų131.883%0.82576%0.764SS**  trans-138.6158-178.100000113.4
414A31.6Very low32.3Very low106 Ų106126.9 Ų126.988%0.87676%0.757SS**  trans-160.198.216300000109.2
415D33.7Very low32.2Very low158 Ų158123.7 Ų123.785%0.84576%0.756SS**  trans-74.4176.3167.2-99.4-49.9000111.6
416P50.6Low32.3Very low99 Ų99126.7 Ų126.764%0.64377%0.767SS**  cis-132173-2.732.2-12000115.3
417D33.4Very low32.3Very low143 Ų143131.7 Ų131.777%0.76577%0.77SS**  -175.498.1111.7-105.1-25.3000116.5
418C32.6Very low32.4Very low97 Ų97130.6 Ų130.666%0.65577%0.774SS**  57.499.1129.8-580000124.9
419L32.5Very low32.6Very low146 Ų146134.1 Ų134.176%0.76478%0.777SS**  82.3135.7118-68.9171.6000124.7
420N33.7Very low32.7Very low130 Ų130132.8 Ų132.870%0.69578%0.777SS**  trans74152.4145.3-66.5-17000119.4
421M32Very low32.1Very low146 Ų146130.1 Ų130.172%0.71977%0.772SS**  cis-163.3145-3.4-123.5169.647.600113.5
422L32.9Very low32.5Very low149 Ų149133.6 Ų133.678%0.7878%0.777SS**  trans47.9137.7135.7-74174.4000126.1
423D27.4Very low32.7Very low159 Ų159134 Ų13485%0.8578%0.778SS**  trans90.8164.9136.1-123-20000124.3
424A32Very low32.6Very low88 Ų88133.6 Ų133.673%0.72778%0.775SS**  trans-109.4171.6-150.400000117.8
425G26.8Very low32.5Very low68 Ų68132.1 Ų132.170%0.70177%0.77SS**  130.4168.412200000121
426F27.2Very low32.3Very low214 Ų214131.4 Ų131.494%0.93977%0.771SS**  trans83.5176.6161-73.7-83.4000121.1
427Y30.8Very low31.3Very low216 Ų216132.1 Ų132.185%0.84778%0.777SS**  -155.9174.9-124.3-150.4-92.7000112.5
428S31.6Very low31Very low109 Ų109130.7 Ų130.776%0.76277%0.773SS**  trans83.2164.1164.9-45.70000117.7
429D31.7Very low30.8Very low141 Ų141133.3 Ų133.375%0.75478%0.781SS**  cis-176.2167.5-35.5-175.526.3000108.6
430L32.2Very low30.7Very low154 Ų154134.5 Ų134.581%0.80678%0.78SS**  trans68.7150.3165.8-125.267.6000118.1
431G31.2Very low30.4Very low67 Ų67134 Ų13469%0.69178%0.777SS**  cis157143.6-18.400000116.2
432Q36.4Very low30.2Very low176 Ų176132.7 Ų132.782%0.82278%0.781SS**  trans95.2133.1138.7-159.5160.637.400124.4
433L35.1Very low29.8Very low167 Ų167134.7 Ų134.787%0.87479%0.786SS**  trans64.3155.3161.7-72.7163.2000120.9
434G28.6Very low30.1Very low73 Ų73137.7 Ų137.775%0.75379%0.786SS**  cis152.5126.4-17.900000117.6
435G29.2Very low30.5Very low75 Ų75138.9 Ų138.977%0.77379%0.786SS**  trans110.2126.8151.800000122.5
436V29.9Very low30.7Very low143 Ų143139.8 Ų139.887%0.86778%0.781SS**  37.4133.6121.8173.20000119.2
437C29.1Very low31Very low114 Ų114138.8 Ų138.877%0.7778%0.777SS**  cis-168.5-175.640.8570000113.1
438V28.4Very low31.1Very low113 Ų113139.6 Ų139.669%0.68578%0.778SS**  cis-176.1153-29.8150.50000109.7
439N27.5Very low31.1Very low152 Ų152141.4 Ų141.481%0.81378%0.778SS**  trans70.6159.2169.1-73.3-20.7000117.9
440K29.9Very low31.1Very low171 Ų171143.4 Ų143.474%0.74378%0.78SS**  cis-156.814817.9-158.5163.2173.4177.40115.4
441D27.9Very low30.9Very low118 Ų118142.9 Ų142.963%0.63178%0.776SS**  trans33.2123.6152.7-58.2-24.2000122
442C27.8Very low30.7Very low119 Ų119145.6 Ų145.680%0.80478%0.779SS**  73149.888.2-58.60000115.1
443E25.9Very low30.6Very low191 Ų191144.7 Ų144.789%0.89378%0.779SS**  cis-155.3175.823.3-149.4-178166.500113.1
444R32.7Very low30.9Very low223 Ų223142.7 Ų142.784%0.84278%0.776SS**  trans-105.8164.1168.8-123.2175.6-175.9167.51.1107.9
445P40.2Very low30.8Very low112 Ų112146.1 Ų146.173%0.72778%0.777SS**  -165.7171.770.744.6-22.2000120.7
446S32.2Very low30.9Very low88 Ų88148.5 Ų148.562%0.61578%0.782SS**  trans61.2111.9136.3-71.20000126.6
447K33.4Very low30.8Very low193 Ų193150.5 Ų150.584%0.83978%0.779SS**  67.4124.5113.6-61.5170.5-174.4179.30122.7
448R31.4Very low31.1Very low232 Ų232151.9 Ų151.988%0.87578%0.777SS**  120.1149.5117.3-140.1-177.7-170.9170.42.7118.4
449L32.5Very low31.1Very low147 Ų147152.6 Ų152.677%0.7778%0.777SS**  trans88.291.1160-58.2177.8000120.5
450K31.3Very low31.3Very low183 Ų183151.3 Ų151.380%0.79677%0.771SS**  5.6132112.6-171.1167-179.9171.90114.3
451M28.3Very low31.3Very low144 Ų144149.2 Ų149.271%0.70977%0.772SS**  -17715567.8-154.2159.874.900114.8
452T26.4Very low31.3Very low123 Ų123148.4 Ų148.476%0.75578%0.776SS**  trans66.3136.7150.434.20000124.2
453L34.3Very low31.4Very low157 Ų157149.2 Ų149.282%0.82278%0.777SS**  trans-64.2168.1161.9-61.2158.1000112.3
454P41.5Very low31.5Very low125 Ų125144.1 Ų144.181%0.81277%0.767SS**  -141.3172.78239.6-24.4000115.9
455D26.9Very low31.2Very low145 Ų145140.2 Ų140.278%0.77576%0.763SS**  trans-64.8163.1179.5-57.6-87000116.3
456S30.4Very low30.6Very low126 Ų126142.3 Ų142.388%0.88177%0.767SS**  trans-143.4145.8149-171.50000110.7
457F29.3Very low30.3Very low184 Ų184141.5 Ų141.581%0.80777%0.773SS**  trans-90171.6-169.3-106.6-119.7000114.1
458I34.3Very low30.2Very low143 Ų143138.7 Ų138.773%0.73377%0.771SS**  trans95.9115.6144.3-85.4157.6000121
459N29.6Very low30.1Very low128 Ų128134.2 Ų134.268%0.68477%0.765SS**  trans92.4137.6139.4-84.942.4000126.2
460D30.7Very low29.9Very low125 Ų125136.9 Ų136.967%0.66877%0.771SS**  trans71.594.7141.7-62.1-34.2000123.3
461V29.5Very low29.8Very low127 Ų127135.9 Ų135.977%0.7777%0.769SS**  63.5134.9105.3169.10000120.9
462S29.5Very low29.8Very low102 Ų102133.3 Ų133.371%0.71377%0.77SS**  trans89.690.8159.4-72.10000121.6
463V28.4Very low29.9Very low136 Ų136137.7 Ų137.782%0.82477%0.773SS**  50.2117114.5-179.60000120.3
464A27.9Very low29.9Very low84 Ų84140.5 Ų140.569%0.69477%0.773SS**  trans65140.7154.700000117.9
465N27.3Very low29.4Very low140 Ų140140 Ų14075%0.74977%0.767SS**  cis-166.1154.940.8-131.7-8.3000113.5
466L28.5Very low29.4Very low157 Ų157138.4 Ų138.482%0.82276%0.763SS**  trans53.2124.6147.1-64.4165000123.4
467G25.9Very low29.6Very low71 Ų71138 Ų13873%0.73276%0.755SS**  trans93.8153.2145.800000117.5
468V30.6Very low29.6Very low133 Ų133138.1 Ų138.181%0.80676%0.758SS**  cis-157154.9-9.5-970000109.9
469D28.6Very low29.6Very low139 Ų139138.9 Ų138.974%0.74376%0.758SS**  trans16.4133.1156-47.2-45.6000121.6
470F28.5Very low29.6Very low203 Ų203140.2 Ų140.289%0.8976%0.76SS**  -161.7158101.8-131.5-98.7000117
471E30Very low29.7Very low162 Ų162145.4 Ų145.476%0.75777%0.77SS**  trans-84.8137.5-169.6177.274.5-153.200116.1
472A28Very low30.1Very low89 Ų89146.9 Ų146.974%0.73677%0.772SS**  trans176.3137.8152.300000110.6
473R29.2Very low30.1Very low216 Ų216148.9 Ų148.982%0.81578%0.78SS**  cis-158.5139.67.4-107177-172.4-1704.8110.1
474R34.1Very low30.6Very low216 Ų216146.3 Ų146.382%0.81578%0.781SS**  45.8142.7127.2-60.8-172.3-175.3-171.70.3120.5
475T29.4Very low30.7Very low113 Ų113146.8 Ų146.869%0.69379%0.785SS**  cis-170.4151.111.68.80000113.4
476T28.4Very low30.8Very low113 Ų113150.2 Ų150.269%0.69379%0.793SS**  trans29.2125.9147.357.50000121.8
477T33.1Very low31.1Very low116 Ų116151.6 Ų151.671%0.71280%0.798SS**  cis76.1121.547.268.80000118
478H31.3Very low31.5Very low188 Ų188152.9 Ų152.987%0.8780%0.802SS**  -177171.1128.8-100.5-61.2000115.4
479H32.4Very low31.7Very low158 Ų158152.9 Ų152.973%0.73180%0.802SS**  trans-100.8160-175.6-81.1-33000113.7
480H31.3Very low31.8Very low157 Ų157152 Ų15273%0.72781%0.807SS**  172.8139.6100.5-93.3-59000118.7
481R31.2Very low32.1Very low233 Ų233148.9 Ų148.988%0.87980%0.804SS**  trans32.3141.7142.1-92.4-175.4175.2136.81124.8
482I38.3Very low32.5Very low158 Ų158148.3 Ų148.381%0.8181%0.811SS**  trans-64.9144168.4-59.6150.4000114.4
483T29.6Very low32.7Very low145 Ų145151.2 Ų151.289%0.8982%0.815SS**  trans-142.7168.8140.446.90000108.7
484G39.2Very low33.1Very low82 Ų82150.9 Ų150.985%0.84582%0.82SS**  trans-153.6178.2-173.400000116.4
485A30.1Very low33Very low93 Ų93143.7 Ų143.777%0.76981%0.813SS**  trans-140128.2178.800000108.9
486K29.3Very low33.1Very low212 Ų212144.2 Ų144.292%0.92282%0.821SS**  59.195.184.4-86.6-172171.8-178.30114.5
487M35.2Very low33.5Very low186 Ų186147.5 Ų147.592%0.91683%0.833SS**  trans-91.2151.2159.2-71.1-73.7-82.400110.1
488A34.1Very low33.5Very low99 Ų99146.8 Ų146.882%0.81884%0.839SS**  trans-99.9153172.600000110.9
489V33.8Very low33.4Very low132 Ų132141 Ų14180%0.883%0.83SS**  trans-124.9125.1177.4179.50000109.2
490S31.5Very low33.5Very low122 Ų122140 Ų14085%0.85384%0.841SS**  trans-79.2122.9173.1-54.30000109.8
491V34Very low33.4Very low137 Ų137136 Ų13683%0.8384%0.843SS**  trans-102.2135.3168.7-73.40000110.3
492T38.7Very low33.6Very low149 Ų149134 Ų13491%0.91484%0.843SS**  trans-113.4146.1161.243.20000108.7
493D33.4Very low34.3Very low150 Ų150131.3 Ų131.380%0.80284%0.836SS**  trans-110.9136.9-159.6-177.615.2000111.4
494F35.7Very low34.5Very low210 Ų210132.5 Ų132.592%0.92184%0.837SS**  trans-157.2107.2165.3-116.6-72.2000114.2
495G33Very low34.1Very low65 Ų65131.5 Ų131.567%0.6783%0.826SS**  69.496.212800000119.1
496S31.3Very low34.2Very low123 Ų123137 Ų13786%0.8683%0.833SS**  trans-67.4150.4163.8-41.30000113.1
497L35.9Very low34.8Very low182 Ų182134.9 Ų134.995%0.95383%0.831SS**  trans-151.9154.6145.1-109.6171.5000111.2
498A33.3Very low34.6Very low102 Ų102129.7 Ų129.784%0.84383%0.825SS**  trans-103.8168.7-156.600000115.5
499G29.3Very low34.6Very low65 Ų65129.6 Ų129.667%0.6783%0.825SS**  trans151.895.4140.300000119.8
500S34.1Very low34.6Very low138 Ų138132.6 Ų132.697%0.96583%0.829SS**  trans61.9159.5159.167.90000118.3
501G31Very low34.7Very low74 Ų74131.1 Ų131.176%0.76383%0.825SS**  cis-174.4155.7-6.100000111.8
502E34.8Very low34.7Very low190 Ų190136.4 Ų136.489%0.88883%0.83SS**  trans-80-179.7-179.5-61-173.4115.400113.5
503P52.2Low34.4Very low101 Ų101137.5 Ų137.566%0.65682%0.824SS**  -133.8174.8-54.537.8-23.2000112.6
504N33.6Very low34.4Very low170 Ų170137.8 Ų137.891%0.90982%0.82SS**  trans158.9153.5149.9-87-48.5000109.9
505G32.1Very low34.2Very low61 Ų61132.3 Ų132.363%0.62980%0.804SS**  cis162123.3-9.700000114.7
506F32.2Very low34.3Very low209 Ų209137.8 Ų137.892%0.91781%0.812SS**  trans78.2156.1157.3-101.2-95000122.9
507L41Very low34.3Very low168 Ų168141.3 Ų141.388%0.8882%0.815SS**  trans74.3138.1176.6-52.1178.3000116.5
508G32.4Very low34.2Very low77 Ų77138.7 Ų138.779%0.79481%0.806SS**  cis151.9102.3-6.300000112.4
509A32.6Very low34.2Very low97 Ų97138.6 Ų138.680%0.80281%0.806SS**  trans-81.9151-170.400000114.9
510H35.3Very low34.4Very low194 Ų194139.5 Ų139.590%0.89881%0.807SS**  trans-155.5125.5151.6-96-54.2000111.8
511A33Very low34.6Very low91 Ų91141 Ų14175%0.75280%0.803SS**  trans-88.716117000000112
512R33.6Very low34.9Very low249 Ų249147.2 Ų147.294%0.9481%0.812SS**  trans-150.2157.6159.5-119.1-173.9177.488.35.4113.3
513H33Very low35.1Very low171 Ų171143.4 Ų143.479%0.79281%0.807SS**  trans-103.4156-163.5-96.5-116.4000114.7
514H33.7Very low34.5Very low157 Ų157151.5 Ų151.573%0.72784%0.836SS**  trans86.3120.4136.6-104.130.1000124
515T31.8Very low34.5Very low94 Ų94150.6 Ų150.658%0.57783%0.832SS**  64.8114.7129.455.20000123
516Q33.6Very low34.6Very low180 Ų180155.3 Ų155.384%0.84184%0.843SS**  46.7123.9123.1-65.4-176.8-1300120.3
517H32.3Very low34.8Very low197 Ų197152.3 Ų152.391%0.91284%0.839SS**  trans-112.1141.9162.3-86.7-96.6000111.1
518T33.2Very low34.4Very low127 Ų127151.4 Ų151.478%0.77984%0.836SS**  trans-146.8123.9171-25.60000111
519A34.1Very low34.5Very low101 Ų101156.1 Ų156.184%0.83584%0.839SS**  trans53.6141.2165.600000118
520A32.8Very low34.6Very low84 Ų84160 Ų16069%0.69484%0.841SS**  cis-171.7159.437.200000112.1
521L38.5Very low34.6Very low169 Ų169157.6 Ų157.689%0.88584%0.837SS**  trans37.6118.2143.6-61.6170.4000120.8
522Q37Very low34.7Very low205 Ų205162.7 Ų162.796%0.95884%0.844SS**  trans-148.9159.7130.8-120.4169.120.300111.1
523S39.3Very low34.8Very low109 Ų109155.5 Ų155.576%0.76284%0.836SS**  trans-120.2141.5-175.856.50000111.3
524E38.5Very low35Very low272 Ų272154.1 Ų154.1100%1.27184%0.84SS**  trans-150.40130.5-141.7166.9112.700109.7

Retrieved 524 of 524 residues in 145.7 ms (Link to these results)