A0A096LSC9_POEFO Loading...

TNRC6 PABC binding domain-containing protein

AlphaFold DB , UniProt , Accession A0A096LSC9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 453 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
1M53.3Low67.2Low218 Ų218110.4 Ų110.4100%1.07457%0.57SS**  0133.30-71.8163.1151.600108.7
2S59.5Low67.2Low69 Ų69105.4 Ų105.448%0.48357%0.567SS.*  trans-74.4153.3178.544.30000111.9I4 N5 R6S2-I4 VanDerWaalsContact C-N 3.29Å; S2-I4 PolarHBondContact O-N 2.91Å; S2-N5 WeakPolarHBondContact O-CB 3.2Å; S2-N5 PolarHBondContact O-N 3.26Å; S2-N5 VanDerWaalsContact O-N 3.12Å; S2-R6 PolarHBondContact O-N 3.44Å
3S66.2Low67Low98 Ų98106.7 Ų106.769%0.68557%0.571SS**Hα-helixtrans-56.6-41.9178.243.20000112.5N5 R6 Q7S3-N5 VanDerWaalsContact C-N 3.27Å; S3-N5 PolarHBondContact O-N 3.5Å; S3-R6 WeakPolarHBondContact O-CB 3.17Å; S3-R6 PolarHBondContact O-N 2.85Å; S3-Q7 PolarHBondContact O-N 3.2Å
4I68.1Low66.5Low95 Ų95104.5 Ų104.549%0.48756%0.559SS.*Hα-helixtrans-58.9-37.7177.5-149.880.9000112.1S2 Q7 F8S2-I4 VanDerWaalsContact C-N 3.29Å; S2-I4 PolarHBondContact O-N 2.91Å; I4-Q7 WeakPolarHBondContact O-CB 3.26Å; I4-Q7 PolarHBondContact O-N 2.89Å; I4-Q7 VanDerWaalsContact O-N 3.12Å; I4-F8 HydrophobicContact CG1-CD2 4.42Å; I4-F8 HydrophobicContact CG1-CE2 3.69Å; I4-F8 HydrophobicContact CG1-CZ 4.39Å; I4-F8 WeakPolarHBondContact O-CD2 3.43Å; I4-F8 PolarHBondContact O-N 3.08Å
5N67.4Low65.2Low56 Ų56104.1 Ų104.130%0.29957%0.567SS.*Hα-helixtrans-69-39.9-177.6-164.5-34.1000110.5S2 S3 Q7 F8 S9 L14S2-N5 WeakPolarHBondContact O-CB 3.2Å; S2-N5 PolarHBondContact O-N 3.26Å; S2-N5 VanDerWaalsContact O-N 3.12Å; S3-N5 VanDerWaalsContact C-N 3.27Å; S3-N5 PolarHBondContact O-N 3.5Å; N5-Q7 PolarHBondContact O-N 3.36Å; N5-F8 PolarHBondContact O-N 2.96Å; N5-F8 VanDerWaalsContact O-N 3.1Å; N5-S9 PolarHBondContact O-N 3.39Å; N5-S9 PolarHBondContact O-OG 3.39Å; N5-L14 VanDerWaalsContact OD1-CD2 3.26Å; N5-L14 WeakPolarHBondContact OD1-CD2 3.1Å
6R74.3Confident64.8Low168 Ų168107 Ų10763%0.63458%0.582SS**Hα-helixtrans-58.6-34170.8-171.7-177.7-62.7-77.53112.6S2 S3 N10S2-R6 PolarHBondContact O-N 3.44Å; S3-R6 WeakPolarHBondContact O-CB 3.17Å; S3-R6 PolarHBondContact O-N 2.85Å; R6-N10 VanDerWaalsContact O-CB 3.32Å; R6-N10 WeakPolarHBondContact O-CB 3.35Å; R6-N10 VanDerWaalsContact O-CG 3.29Å; R6-N10 PolarHBondContact O-N 2.78Å; R6-N10 PolarHBondContact O-OD1 3Å
7Q72.7Confident63.4Low112 Ų112110.1 Ų110.152%0.52359%0.592SS.*Hα-helixtrans-68.2-40.1175.8-64178.3-90.400111.7S3 I4 N5 N10 M11S3-Q7 PolarHBondContact O-N 3.2Å; I4-Q7 WeakPolarHBondContact O-CB 3.26Å; I4-Q7 PolarHBondContact O-N 2.89Å; I4-Q7 VanDerWaalsContact O-N 3.12Å; N5-Q7 PolarHBondContact O-N 3.36Å; Q7-N10 PolarHBondContact O-N 2.96Å; Q7-M11 WeakPolarHBondContact O-CE 3.41Å; Q7-M11 WeakPolarHBondContact O-CG 3.45Å; Q7-M11 PolarHBondContact O-N 3.13Å; Q7-M11 VanDerWaalsContact O-N 3.13Å
8F67.8Low62.8Low92 Ų92111.9 Ų111.940%0.40461%0.61SS.*Hα-helixtrans-69.3-37.5176.4-65.6-62.5000113.4I4 N5 M11 G12 I13 L14I4-F8 HydrophobicContact CG1-CD2 4.42Å; I4-F8 HydrophobicContact CG1-CE2 3.69Å; I4-F8 HydrophobicContact CG1-CZ 4.39Å; I4-F8 WeakPolarHBondContact O-CD2 3.43Å; I4-F8 PolarHBondContact O-N 3.08Å; N5-F8 PolarHBondContact O-N 2.96Å; N5-F8 VanDerWaalsContact O-N 3.1Å; F8-M11 HydrophobicContact CD1-CE 3.58Å; F8-M11 HydrophobicContact CE1-CE 3.94Å; F8-M11 HydrophobicContact CG-CE 4.41Å; F8-M11 PolarHBondContact O-N 2.99Å; F8-G12 PolarHBondContact O-N 3Å; F8-I13 HydrophobicContact CD1-CD1 4.45Å; F8-I13 PolarHBondContact O-N 2.94Å; F8-I13 VanDerWaalsContact O-N 3.12Å; F8-L14 HydrophobicContact CB-CB 4.41Å
9S73.1Confident61.7Low59 Ų59108.8 Ų108.841%0.41361%0.608SS.*Hα-helixtrans-64.7-41.9170.2-55.10000112.1N5 M11 G12N5-S9 PolarHBondContact O-N 3.39Å; N5-S9 PolarHBondContact O-OG 3.39Å; S9-M11 PolarHBondContact O-N 2.78Å; S9-G12 PolarHBondContact O-N 2.95Å
10N68.3Low60.6Low133 Ų133107 Ų10771%0.71161%0.614SS**Hα-helixtrans-63.8-21.1175.7-8225.2000113.5R6 Q7R6-N10 VanDerWaalsContact O-CB 3.32Å; R6-N10 WeakPolarHBondContact O-CB 3.35Å; R6-N10 VanDerWaalsContact O-CG 3.29Å; R6-N10 PolarHBondContact O-N 2.78Å; R6-N10 PolarHBondContact O-OD1 3Å; Q7-N10 PolarHBondContact O-N 2.96Å
11M68.6Low59.8Low114 Ų114108 Ų10856%0.56263%0.625SS**THydrogen-bonded Turntrans-93.12.2173.8-67.3-176.1-68.100113.1Q7 F8 S9 I13Q7-M11 WeakPolarHBondContact O-CE 3.41Å; Q7-M11 WeakPolarHBondContact O-CG 3.45Å; Q7-M11 PolarHBondContact O-N 3.13Å; Q7-M11 VanDerWaalsContact O-N 3.13Å; F8-M11 HydrophobicContact CD1-CE 3.58Å; F8-M11 HydrophobicContact CE1-CE 3.94Å; F8-M11 HydrophobicContact CG-CE 4.41Å; F8-M11 PolarHBondContact O-N 2.99Å; S9-M11 PolarHBondContact O-N 2.78Å; M11-I13 HydrophobicContact CB-CD1 3.8Å; M11-I13 HydrophobicContact CB-CG1 3.8Å; M11-I13 HydrophobicContact CE-CD1 4.07Å; M11-I13 PolarHBondContact O-N 3.34Å; M11-I13 HydrophobicContact SD-CD1 4.34Å
12G67.2Low59.2Low51 Ų51104 Ų10453%0.52661%0.608SS.*THydrogen-bonded Turntrans68.810.6-178.200000115F8 S9F8-G12 PolarHBondContact O-N 3Å; S9-G12 PolarHBondContact O-N 2.95Å
13I64.4Low58.8Low122 Ų122109.9 Ų109.963%0.62663%0.63SS**  trans-82.3-30.4-174-53.9177.8000111.2F8 M11F8-I13 HydrophobicContact CD1-CD1 4.45Å; F8-I13 PolarHBondContact O-N 2.94Å; F8-I13 VanDerWaalsContact O-N 3.12Å; M11-I13 HydrophobicContact CB-CD1 3.8Å; M11-I13 HydrophobicContact CB-CG1 3.8Å; M11-I13 HydrophobicContact CE-CD1 4.07Å; M11-I13 PolarHBondContact O-N 3.34Å; M11-I13 HydrophobicContact SD-CD1 4.34Å
14L59.9Low57.9Low76 Ų76111.2 Ų111.240%0.39863%0.629SS.*  trans-110.386.1175.4-171.170.6000110.5N5 F8N5-L14 VanDerWaalsContact OD1-CD2 3.26Å; N5-L14 WeakPolarHBondContact OD1-CD2 3.1Å; F8-L14 HydrophobicContact CB-CB 4.41Å
15S48Very low57.1Low98 Ų98113.9 Ų113.969%0.68564%0.644SS**  trans-109.489.6172-63.50000109.6E17S15-E17 VanDerWaalsContact C-N 3.32Å; S15-E17 PolarHBondContact O-N 3.35Å
16D58.2Low56.4Low151 Ų151114.4 Ų114.481%0.80765%0.65SS**  trans-75.780.5169.5-94-71.5000110.1
17E41Very low55.6Low159 Ų159111.6 Ų111.674%0.74365%0.654SS**  trans-144.4124.2165.1-155.7-153.3115.700112.3S15 G19S15-E17 VanDerWaalsContact C-N 3.32Å; S15-E17 PolarHBondContact O-N 3.35Å; E17-G19 PolarHBondContact O-N 2.95Å; E17-G19 VanDerWaalsContact O-N 3.13Å
18P51.9Low54.3Low143 Ų143113 Ų11393%0.92966%0.661SS**  trans-86.171.4179.534.5-35.3000112.5
19G42.4Very low53.7Low54 Ų54115.9 Ų115.956%0.55767%0.673SS**  trans-121.3-9.1-163.700000120.3E17E17-G19 PolarHBondContact O-N 2.95Å; E17-G19 VanDerWaalsContact O-N 3.13Å
20G40.2Very low52.8Low72 Ų72120.9 Ų120.974%0.74269%0.687SS**  trans78.6-161.8-177.200000114.5
21P44.1Very low52.4Low128 Ų128120.1 Ų120.183%0.83168%0.682SS**  cis-93.7166.211.337.1-36.3000115.6
22N40.7Very low51.4Low134 Ų134119.3 Ų119.372%0.71768%0.677SS**  trans-53.2133.6178.9166.2-95.9000114.8D24N22-D24 PolarHBondContact O-N 2.81Å; N22-D24 WeakPolarHBondContact OD1-CB 3.5Å; N22-D24 PolarHBondContact OD1-N 2.75Å
23M50.3Low50.9Low192 Ų192120.3 Ų120.395%0.94668%0.681SS**SBendtrans-85.361.8178-80.5-91.5-68.900112.1
24D47.2Very low50.4Low127 Ų127121 Ų12168%0.67968%0.681SS**  trans-142.856.8-179.7-152.55.2000113.5N22N22-D24 PolarHBondContact O-N 2.81Å; N22-D24 WeakPolarHBondContact OD1-CB 3.5Å; N22-D24 PolarHBondContact OD1-N 2.75Å
25L52.4Low50.1Low150 Ų150125.8 Ų125.879%0.78570%0.699SS**SBendtrans-135.8137.3168.3-73.2176.8000110.7
26P52.9Low50.4Low67 Ų67129.4 Ų129.444%0.43570%0.697SS.*  trans-67.3151-174.626.4-34.6000112.8E28P26-E28 PolarHBondContact O-N 2.76Å
27P56.8Low50.1Low110 Ų110125 Ų12571%0.71469%0.688SS**G310 helixtrans-63.7-20.7-16825.4-35.7000114.4K29 K30P27-K29 VanDerWaalsContact C-N 3.28Å; P27-K29 PolarHBondContact O-N 3.34Å; P27-K30 WeakPolarHBondContact O-CB 3.34Å; P27-K30 PolarHBondContact O-N 3.38Å; P27-K30 VanDerWaalsContact O-N 3.15Å
28E45.9Very low50.6Low142 Ų142125.4 Ų125.466%0.66469%0.692SS**G310 helixtrans-53.6-39.6-176.6-57168.6-101.400113.3P26 K30 L31P26-E28 PolarHBondContact O-N 2.76Å; E28-K30 PolarHBondContact O-N 2.97Å; E28-L31 WeakPolarHBondContact O-CD2 3.36Å; E28-L31 WeakPolarHBondContact O-CG 3.41Å
29K54.9Low50.8Low151 Ų151121.9 Ų121.966%0.65768%0.675SS**G310 helixtrans-82-12-175.5-69.5-178.5178.3175.70113.9P27 L31 E32P27-K29 VanDerWaalsContact C-N 3.28Å; P27-K29 PolarHBondContact O-N 3.34Å; K29-L31 PolarHBondContact O-N 2.98Å; K29-E32 PolarHBondContact O-N 2.93Å
30K53.9Low51.1Low164 Ų164125.3 Ų125.371%0.71368%0.678SS**Hα-helixtrans-65.8-38.3-179-169.3174.2177.3-179.90111.9P27 E28 E32 E34P27-K30 WeakPolarHBondContact O-CB 3.34Å; P27-K30 PolarHBondContact O-N 3.38Å; P27-K30 VanDerWaalsContact O-N 3.15Å; E28-K30 PolarHBondContact O-N 2.97Å; K30-E32 PolarHBondContact O-N 3.35Å; K30-E34 PolarHBondContact O-N 3.39Å
31L59.7Low52Low117 Ų117128.6 Ų128.661%0.61368%0.678SS**Hα-helixtrans-71.1-26.7179.57497.5000113.5E28 K29 K35E28-L31 WeakPolarHBondContact O-CD2 3.36Å; E28-L31 WeakPolarHBondContact O-CG 3.41Å; K29-L31 PolarHBondContact O-N 2.98Å; L31-K35 PolarHBondContact O-N 3.47Å
32E47.7Very low52.4Low98 Ų98128.5 Ų128.546%0.45867%0.671SS.*Hα-helixtrans-77.7-28.4-178.7-147.4-153.9142.600112.8K29 K30 R36K29-E32 PolarHBondContact O-N 2.93Å; K30-E32 PolarHBondContact O-N 3.35Å; E32-R36 PolarHBondContact O-NH1 2.99Å; E32-R36 IonicContact OE1-CZ 3.29Å; E32-R36 VanDerWaalsContact OE1-CZ 3.25Å; E32-R36 IonicContact OE1-NH1 2.85Å; E32-R36 PolarHBondContact OE1-NH1 3.2Å; E32-R36 IonicContact OE1-NH2 3.25Å; E32-R36 PolarHBondContact OE1-NH2 3.48Å
33A57Low52.8Low72 Ų72132.3 Ų132.360%0.59568%0.677SS**Hα-helixtrans-69.5-47.1171.700000111K35 R36 G37A33-K35 VanDerWaalsContact C-N 3.29Å; A33-K35 PolarHBondContact O-N 2.91Å; A33-R36 PolarHBondContact O-N 3.43Å; A33-G37 PolarHBondContact O-N 2.79Å
34E53.6Low52.8Low137 Ų137129.1 Ų129.164%0.6466%0.664SS**Hα-helixtrans-57.2-41.6177.9-165.2173.5104.600111.8K30 R36 G37K30-E34 PolarHBondContact O-N 3.39Å; E34-R36 PolarHBondContact O-N 3.23Å; E34-R36 VanDerWaalsContact O-N 3.1Å; E34-G37 PolarHBondContact O-N 3.33Å
35K53.9Low53.2Low175 Ų175125.9 Ų125.976%0.76166%0.66SS**Hα-helixtrans-62-17.3177.8-166.7174.9-174.4-58.90114.7L31 A33L31-K35 PolarHBondContact O-N 3.47Å; A33-K35 VanDerWaalsContact C-N 3.29Å; A33-K35 PolarHBondContact O-N 2.91Å
36R54.4Low52.9Low174 Ų174123.7 Ų123.766%0.65765%0.646SS**Hα-helixtrans-100.8-6.6174.5-69.1-171.8-177.280.4-7.4113.9E32 A33 E34E32-R36 PolarHBondContact O-NH1 2.99Å; E32-R36 IonicContact OE1-CZ 3.29Å; E32-R36 VanDerWaalsContact OE1-CZ 3.25Å; E32-R36 IonicContact OE1-NH1 2.85Å; E32-R36 PolarHBondContact OE1-NH1 3.2Å; E32-R36 IonicContact OE1-NH2 3.25Å; E32-R36 PolarHBondContact OE1-NH2 3.48Å; A33-R36 PolarHBondContact O-N 3.43Å; E34-R36 PolarHBondContact O-N 3.23Å; E34-R36 VanDerWaalsContact O-N 3.1Å
37G51Low53.1Low60 Ų60129.3 Ų129.362%0.61967%0.668SS**Hα-helixtrans-75.8-23.8179.500000114.8A33 E34 A39A33-G37 PolarHBondContact O-N 2.79Å; E34-G37 PolarHBondContact O-N 3.33Å; G37-A39 PolarHBondContact O-N 2.76Å
38M52.8Low53.1Low167 Ų167133.8 Ų133.882%0.82367%0.671SS**  trans-8042.6-174.3-63.6-62.5175.300114.2M40M38-M40 PolarHBondContact O-N 3.01Å
39A54.9Low53.2Low68 Ų68136.9 Ų136.956%0.56268%0.683SS**  trans-78.372.5168.200000110G37 N41G37-A39 PolarHBondContact O-N 2.76Å; A39-N41 PolarHBondContact O-N 3.32Å; A39-N41 PolarHBondContact O-ND2 2.88Å
40M49.6Very low52.7Low127 Ų127133.9 Ų133.963%0.62669%0.694SS**  trans-61.2102.7179.5-169.1-86-169.900110M38 D42 Y43M38-M40 PolarHBondContact O-N 3.01Å; M40-D42 HydrophobicContact CE-CB 4.17Å; M40-D42 HydrophobicContact SD-CB 4.32Å; M40-Y43 HydrophobicContact CE-CD2 4.16Å; M40-Y43 HydrophobicContact SD-CD2 4.03Å
41N58.6Low52.1Low141 Ų141129.8 Ų129.875%0.75470%0.698SS**  trans-9610.8-170.9-96.7-86.7000112.7A39A39-N41 PolarHBondContact O-N 3.32Å; A39-N41 PolarHBondContact O-ND2 2.88Å
42D51.9Low51.5Low126 Ų126136.7 Ų136.767%0.67472%0.716SS**  trans-111.724.9-159.3-61.1-81.4000113.8M40 N44M40-D42 HydrophobicContact CE-CB 4.17Å; M40-D42 HydrophobicContact SD-CB 4.32Å; D42-N44 PolarHBondContact O-N 2.88Å
43Y48.8Very low50.9Low213 Ų213135.4 Ų135.484%0.83573%0.729SS**  trans-78.135.5173.7-121.4-81.5000113.7M40 G45M40-Y43 HydrophobicContact CE-CD2 4.16Å; M40-Y43 HydrophobicContact SD-CD2 4.03Å; Y43-G45 VanDerWaalsContact C-N 3.29Å; Y43-G45 PolarHBondContact O-N 2.89Å
44N50.4Low50.3Low126 Ų126138 Ų13867%0.67474%0.74SS**  trans-77.682.2165.9-175.537.1000109.8D42 E46D42-N44 PolarHBondContact O-N 2.88Å; N44-E46 PolarHBondContact O-N 3.31Å
45G56.5Low49.6Very low59 Ų59137.3 Ų137.361%0.60875%0.75SS**  trans-7051.4179.800000114.5Y43 M47Y43-G45 VanDerWaalsContact C-N 3.29Å; Y43-G45 PolarHBondContact O-N 2.89Å; G45-M47 PolarHBondContact O-N 2.88Å
46E45.8Very low48.8Very low104 Ų104132 Ų13249%0.48675%0.745SS.*  trans-7666.5178.8-164.5172.6151.100111.5N44 R48N44-E46 PolarHBondContact O-N 3.31Å; E46-R48 HydrophobicContact CG-CB 4.4Å; E46-R48 HydrophobicContact CG-CG 3.78Å; E46-R48 PolarHBondContact O-N 2.96Å; E46-R48 WeakPolarHBondContact OE1-CD 3.28Å; E46-R48 IonicContact OE1-CZ 2.91Å; E46-R48 IonicContact OE1-NE 2.64Å; E46-R48 PolarHBondContact OE1-NE 3.04Å; E46-R48 IonicContact OE1-NH1 3.12Å; E46-R48 PolarHBondContact OE1-NH1 3.16Å
47M56.2Low48.1Very low184 Ų184126.8 Ų126.891%0.90675%0.745SS**  trans-72.452.8176.5-58.6-174.377.900111.8G45 K49G45-M47 PolarHBondContact O-N 2.88Å; M47-K49 PolarHBondContact O-N 3.46Å
48R57.9Low47.4Very low205 Ų205130.8 Ų130.877%0.77475%0.75SS**  trans-7395.9-177.9-81.6-171.1-177.9154-4.1111.7E46E46-R48 HydrophobicContact CG-CB 4.4Å; E46-R48 HydrophobicContact CG-CG 3.78Å; E46-R48 PolarHBondContact O-N 2.96Å; E46-R48 WeakPolarHBondContact OE1-CD 3.28Å; E46-R48 IonicContact OE1-CZ 2.91Å; E46-R48 IonicContact OE1-NE 2.64Å; E46-R48 PolarHBondContact OE1-NE 3.04Å; E46-R48 IonicContact OE1-NH1 3.12Å; E46-R48 PolarHBondContact OE1-NH1 3.16Å
49K48.2Very low46.9Very low207 Ų207130.9 Ų130.990%0.975%0.753SS**SBendtrans83.296.2148.1-165.6-175.1-177.5-176.60116.6M47M47-K49 PolarHBondContact O-N 3.46Å
50G44.6Very low46.1Very low88 Ų88136.1 Ų136.191%0.90776%0.759SS**  trans-1627.817200000117.9
51G40.3Very low45.5Very low77 Ų77140.9 Ų140.979%0.79477%0.77SS**  trans-137.7146.9-17400000114
52R48.1Very low44.7Very low263 Ų263140 Ų14099%0.99277%0.772SS**  trans-94.3139174.2-62.3179.3178.7-170.7-0.3110
53G34.9Very low43.6Very low70 Ų70136.5 Ų136.572%0.72277%0.766SS**  trans15691.5168.500000114.6
54P43.5Very low42.9Very low127 Ų127132 Ų13283%0.82577%0.765SS**  trans-90.5125.4170.633.6-28.8000111.5
55S39.9Very low42.2Very low122 Ų122135.5 Ų135.585%0.85378%0.775SS**  trans62.7144.9176.9-124.70000115.8
56G36.3Very low41.2Very low64 Ų64141.3 Ų141.366%0.6679%0.786SS**  cis97.876.411.200000111.3
57G40.4Very low41.3Very low64 Ų64141.4 Ų141.466%0.6680%0.796SS**  trans75.8116.4167.900000117
58M35.8Very low40.4Very low144 Ų144137.1 Ų137.171%0.70979%0.789SS**  -166.8123124.7-85.7-34.3176.600110.6Y60M58-Y60 WeakPolarHBondContact CE-OH 3.39Å; M58-Y60 HydrophobicContact CG-CE2 4.47Å; M58-Y60 HydrophobicContact SD-CE1 4.05Å; M58-Y60 HydrophobicContact SD-CE2 4.15Å; M58-Y60 VanDerWaalsContact SD-CZ 3.57Å; M58-Y60 PolarHBondContact SD-OH 2.76Å
59L42.3Very low40.4Very low169 Ų169133.4 Ų133.489%0.88579%0.792SS**  trans-113.973.1170.1-78.983.4000110.2
60Y37Very low39.9Very low178 Ų178128 Ų12870%0.69879%0.786SS**  trans-161.4133.7160.333.3-103.9000113.9M58M58-Y60 WeakPolarHBondContact CE-OH 3.39Å; M58-Y60 HydrophobicContact CG-CE2 4.47Å; M58-Y60 HydrophobicContact SD-CE1 4.05Å; M58-Y60 HydrophobicContact SD-CE2 4.15Å; M58-Y60 VanDerWaalsContact SD-CZ 3.57Å; M58-Y60 PolarHBondContact SD-OH 2.76Å
61R37.8Very low39.7Very low228 Ų228131.3 Ų131.386%0.8678%0.782SS**  trans-142.9121155.2-178.7-175-179.6-169.91.9109.5
62P41.6Very low39.5Very low123 Ų123132.1 Ų132.180%0.79978%0.782SS**  trans-125.6137.8156.433.9-21.5000113
63G29.2Very low38.7Very low52 Ų52124.2 Ų124.254%0.53677%0.773SS.*  trans79.6169.7164.500000118.3
64S34.7Very low39.2Very low117 Ų117126.6 Ų126.682%0.81878%0.778SS**  cis-164.6154.7-36.751.70000111.2
65K34.6Very low38.8Very low201 Ų201130.1 Ų130.187%0.87478%0.776SS**  trans78.7104.3155.6-159.1169.3-175.5179.10120.1
66E35.7Very low38.8Very low180 Ų180133 Ų13384%0.84177%0.77SS**  trans-75.3168.5146.5-125175110.100109.4
67P48.3Very low38.8Very low107 Ų107136.2 Ų136.270%0.69577%0.772SS**  cis-146.5-169.418.543.9-22.7000118.6
68A37.9Very low38.9Very low94 Ų94142.5 Ų142.578%0.77778%0.781SS**  trans105.8151.9145.700000120.3
69P57.1Low38.9Very low127 Ų127138.1 Ų138.183%0.82577%0.773SS**  trans-123.8171.6-164.643.7-29.8000116.1
70A37.4Very low38.8Very low93 Ų93133.6 Ų133.677%0.76977%0.767SS**  trans164.2161.6159.300000110.2
71D40.6Very low39.2Very low157 Ų157134.6 Ų134.684%0.8478%0.778SS**  cis-167167.2-41.5-130.4-52.4000110.5
72A37.2Very low39.3Very low94 Ų94128.8 Ų128.878%0.77777%0.772SS**  trans63.8160.3166.800000118.7
73A31.2Very low39.6Very low98 Ų98129.8 Ų129.881%0.8177%0.769SS**  cis-144.7156.23.800000112.7
74S44.6Very low40Very low119 Ų119137.1 Ų137.183%0.83279%0.786SS**  trans-129122.8172.1-660000111.4
75Y34.9Very low40.1Very low201 Ų201135.3 Ų135.379%0.78879%0.786SS**  trans-164.7149.3169.8-112.7-161000107.4
76Y39.1Very low40.3Very low184 Ų184129.1 Ų129.172%0.72278%0.779SS**  cis-139.9155.813-133.2-63.1000110.8
77D36.8Very low40.3Very low130 Ų130127.7 Ų127.770%0.69578%0.783SS**  trans-72.5146159.4162.661.2000112G79D77-G79 PolarHBondContact OD1-N 3.12Å
78K42.7Very low39.8Very low197 Ų197126.4 Ų126.486%0.85779%0.789SS**  trans-160.8107.6138.9-150.7172.9-173.1-60.10112.7
79G36.2Very low39.8Very low52 Ų52125.9 Ų125.954%0.53679%0.793SS.*  trans-89.4172.8178.200000117D77D77-G79 PolarHBondContact OD1-N 3.12Å
80G39.6Very low39.4Very low73 Ų73128.5 Ų128.575%0.75380%0.796SS**  trans89.397141.800000119.4
81H45.2Very low39.6Very low200 Ų200129.9 Ų129.993%0.92680%0.8SS**  trans-144.8158.7143.14.3-64.4000109
82S41.2Very low39.6Very low105 Ų105131.5 Ų131.573%0.73480%0.803SS**  trans-138-179.9-170.2-164.70000111.1
83I47.6Very low39.6Very low145 Ų145131 Ų13174%0.74479%0.794SS**  trans65.1145.8161.765.3169.7000121.3
84F38Very low39.9Very low205 Ų205138.1 Ų138.190%0.89980%0.8SS**  trans82.6129.3162.3-90.2-82.9000122.3
85G36.9Very low39.7Very low80 Ų80140.3 Ų140.383%0.82580%0.797SS**  trans94.3130.8165.500000115.6
86G37.9Very low39.7Very low70 Ų70139.4 Ų139.472%0.72280%0.8SS**  cis158110.4-1200000114.3
87T36.1Very low39.9Very low151 Ų151136.1 Ų136.193%0.92680%0.801SS**  trans63.2137.9157.7-42.60000118.6
88G37.1Very low39.9Very low80 Ų80133.5 Ų133.583%0.82580%0.804SS**  trans-82.8172.7-17500000116
89G38.3Very low40.2Very low82 Ų82131.1 Ų131.185%0.84581%0.806SS**  trans-161.7123.6175.900000112.5
90M48.5Very low40.9Very low183 Ų183133.7 Ų133.790%0.90181%0.813SS**  trans-84.9142.917555.717671.500111.2
91S42.1Very low41.6Very low122 Ų122136.4 Ų136.485%0.85382%0.817SS**  trans-159.599.4169.3-840000114.6
92Q40.5Very low41.3Very low190 Ų190134.9 Ų134.989%0.88882%0.815SS**  trans29.2143144.3-73.1-62.3-24.700124.2
93S37.3Very low41.2Very low85 Ų85136.1 Ų136.159%0.59481%0.813SS**  trans-65.8159.7171179.20000113.8
94R38Very low41Very low246 Ų246136.8 Ų136.893%0.92881%0.813SS**  trans-137.4121.2162.3-151.8178.1-163.9-139.63.1110.7
95H39.1Very low41.2Very low166 Ų166132.4 Ų132.477%0.76981%0.808SS**  trans-77.5154.5-173.3-66.4-99.5000114
96Q34.7Very low41.6Very low182 Ų182134.8 Ų134.885%0.8581%0.809SS**  trans-134.9152.6155.6-80.8-69.4-1200108.9
97P44.6Very low41.9Very low114 Ų114134.9 Ų134.974%0.7481%0.809SS**  trans-110.2151.2-160.539.3-33.4000116.6
98G36.1Very low42.5Very low75 Ų75136.4 Ų136.477%0.77381%0.808SS**  77.499.5128.900000120.5
99V49.8Very low42.6Very low147 Ų147144.3 Ų144.389%0.89181%0.813SS**  trans-143.6144145.4-103.90000109.5
100P50.3Low42.9Very low106 Ų106144.7 Ų144.769%0.68881%0.809SS**  trans-88.4159.1-171.635.3-36.1000113.7
101P55.2Low42.1Very low130 Ų130144 Ų14484%0.84480%0.803SS**  trans-79136.317332.6-33.7000111.9
102I38.3Very low42.1Very low169 Ų169143.9 Ų143.987%0.86780%0.797SS**  trans-123.2148.8168.2-82.9177.8000109.2
103N39.2Very low42.5Very low130 Ų130139.7 Ų139.770%0.69579%0.786SS**  trans-137156.8-158.1-164.7-17.8000111.1
104Q43Very low43Very low159 Ų159143.1 Ų143.174%0.74379%0.792SS**  trans65.6106.7169.9-81142.974.200119.4
105S41.4Very low43.2Very low114 Ų114140.2 Ų140.280%0.79779%0.79SS**  29.2141.9117.7-69.70000120.2
106P45.5Very low43.4Very low130 Ų130141.7 Ų141.784%0.84479%0.794SS**  cis-146.7152.646.638.6-19.3000119
107G44.7Very low43.7Very low71 Ų71141.1 Ų141.173%0.73280%0.796SS**  trans122.9128.8143.800000119.2
108M48.2Very low43.3Very low183 Ų183140.7 Ų140.790%0.90180%0.796SS**  trans65.374.5144.4-57.4-9275.200120.6
109R40.9Very low43.3Very low246 Ų246141.3 Ų141.393%0.92879%0.794SS**SBend-160.5144.4125.8-134.1174.3-179.7179-0.5114.1
110A43.4Very low42.9Very low91 Ų91142.9 Ų142.975%0.75279%0.791SS**  trans45.467.3160.400000117V112A110-V112 PolarHBondContact O-N 2.77Å; A110-V112 VanDerWaalsContact O-N 3.09Å
111Q32.5Very low42.3Very low169 Ų169143.8 Ų143.879%0.7979%0.794SS**  trans-67.9105162.6-173.5175.419.100109.3
112V42.4Very low41.8Very low119 Ų119142.7 Ų142.772%0.72179%0.787SS**PPolyproline II helixtrans-61.7130.2164.1177.60000107.3A110 H114A110-V112 PolarHBondContact O-N 2.77Å; A110-V112 VanDerWaalsContact O-N 3.09Å; V112-H114 PolarHBondContact O-N 2.79Å
113P49Very low42.2Very low102 Ų102138.1 Ų138.166%0.66278%0.782SS**PPolyproline II helixtrans-55.7131.6172.6-23.633.8000109.3Q115P113-Q115 PolarHBondContact O-N 2.73Å
114H47.2Very low42Very low156 Ų156136.4 Ų136.472%0.72278%0.78SS**PPolyproline II helixtrans-54.4128.7172.3-74.4-91.7000108.5V112 F116V112-H114 PolarHBondContact O-N 2.79Å; H114-F116 PolarHBondContact O-N 3.11Å
115Q42.8Very low42.2Very low186 Ų186137.6 Ų137.687%0.86979%0.788SS**  trans-52106.1172.9-80.3-79.990.400107.8P113 L117P113-Q115 PolarHBondContact O-N 2.73Å; Q115-L117 PolarHBondContact O-N 3.34Å
116F41.4Very low42.3Very low197 Ų197139.3 Ų139.386%0.86479%0.787SS**PPolyproline II helixtrans-59.3129.6174.8-89.6-92.4000107.4H114 S118H114-F116 PolarHBondContact O-N 3.11Å; F116-S118 PolarHBondContact O-N 2.93Å
117L42.8Very low42.2Very low169 Ų169141.6 Ų141.689%0.88578%0.784SS**PPolyproline II helixtrans-49.6127.4-178.4-66.9163.3000108.9Q115 A119Q115-L117 PolarHBondContact O-N 3.34Å; L117-A119 PolarHBondContact O-N 3.23Å
118S34.7Very low41.9Very low106 Ų106144.3 Ų144.374%0.74179%0.788SS**PPolyproline II helixtrans-51.4139.8166.8-177.30000108.3F116 Q120F116-S118 PolarHBondContact O-N 2.93Å; S118-Q120 PolarHBondContact O-N 2.89Å
119A36.7Very low41.2Very low88 Ų88143.8 Ų143.873%0.72779%0.786SS**  trans-67.884.2175.900000109.1L117 V121L117-A119 PolarHBondContact O-N 3.23Å; A119-V121 PolarHBondContact O-N 3.46Å
120Q41Very low41.1Very low180 Ų180137.2 Ų137.284%0.84178%0.775SS**  trans-70.575.3177.5-175.1177.7-21.200109.1S118 P122S118-Q120 PolarHBondContact O-N 2.89Å; Q120-P122 VanDerWaalsContact O-CD 3.26Å; Q120-P122 WeakPolarHBondContact O-CD 3.41Å
121V38.8Very low41.2Very low124 Ų124137.9 Ų137.975%0.75277%0.771SS**  trans-60.5118.6167-1790000106.8A119 G123A119-V121 PolarHBondContact O-N 3.46Å; V121-G123 PolarHBondContact O-N 3.18Å
122P44.2Very low41.7Very low108 Ų108136.1 Ų136.170%0.70178%0.775SS**  trans-59.3127.7178.1-24.435.4000109.7Q120 S124Q120-P122 VanDerWaalsContact O-CD 3.26Å; Q120-P122 WeakPolarHBondContact O-CD 3.41Å; P122-S124 VanDerWaalsContact C-N 3.29Å; P122-S124 PolarHBondContact O-N 2.89Å
123G45.8Very low41.8Very low72 Ų72136.2 Ų136.274%0.74278%0.781SS**  trans-6586.8179.300000110.9V121 M125V121-G123 PolarHBondContact O-N 3.18Å; G123-M125 PolarHBondContact O-N 3.43Å
124S36.4Very low41.4Very low94 Ų94134.6 Ų134.666%0.65778%0.783SS**  trans-7198.1-175.9-161.20000109.7P122 L126P122-S124 VanDerWaalsContact C-N 3.29Å; P122-S124 PolarHBondContact O-N 2.89Å; S124-L126 PolarHBondContact O-N 3.04Å
125M46.1Very low41.2Very low185 Ų185131.8 Ų131.891%0.91179%0.787SS**  trans-70.455.6177.2-74.7-86.2-7900111.4G123 K127G123-M125 PolarHBondContact O-N 3.43Å; M125-K127 PolarHBondContact O-N 3.41Å
126L44Very low41.1Very low150 Ų150129.6 Ų129.679%0.78579%0.786SS**  trans-7285.1171.9-67.9-177000109.5S124S124-L126 PolarHBondContact O-N 3.04Å
127K43.9Very low41.3Very low178 Ų178124.4 Ų124.477%0.77479%0.788SS**  trans-11.1119.8154.7-177.1170.4-177.2170.60112.5M125 M129M125-K127 PolarHBondContact O-N 3.41Å; K127-M129 PolarHBondContact O-N 3Å
128P37.5Very low40.9Very low127 Ų127121 Ų12183%0.82578%0.784SS**  trans-61.8111.5-172.124.9-34.4000110.8
129M33.8Very low41.6Very low172 Ų172123.9 Ų123.985%0.84780%0.797SS**PPolyproline II helixtrans-83139.6168.2-64.7-174.771.700108.9K127K127-M129 PolarHBondContact O-N 3Å
130P38.4Very low41.8Very low108 Ų108123.1 Ų123.170%0.70180%0.797SS**PPolyproline II helixtrans-64156174.329.1-35.2000110.5
131P46.4Very low42.1Very low105 Ų105119 Ų11968%0.68280%0.803SS**PPolyproline II helixtrans-59.7137.4178.525.4-34.4000110.9S133P131-S133 PolarHBondContact O-N 3.42Å
132P43.3Very low42.3Very low132 Ų132116.1 Ų116.186%0.85780%0.798SS**  trans-67.2100.1-179.927.3-33.9000110G134P132-G134 PolarHBondContact O-N 3.12Å; P132-G134 VanDerWaalsContact O-N 3.08Å
133S43.3Very low42.8Very low121 Ų121117.5 Ų117.585%0.84681%0.805SS**  trans-74.596.1177.4-65.40000110.2P131P131-S133 PolarHBondContact O-N 3.42Å
134G41.4Very low43Very low69 Ų69117.5 Ų117.571%0.71178%0.784SS**SBendtrans97.6127.1158.400000118P132P132-G134 PolarHBondContact O-N 3.12Å; P132-G134 VanDerWaalsContact O-N 3.08Å
135A42.2Very low43.6Very low97 Ų97115 Ų11580%0.80277%0.766SS**  trans73.6164.5149.100000120.5
136V40.8Very low43.9Very low140 Ų140112.4 Ų112.485%0.84876%0.763SS**  trans51.696.1170.4-63.90000117.5
137G45.5Very low44.5Very low88 Ų88109.7 Ų109.791%0.90775%0.746SS**  trans-53.7143.2-173.800000117.5
138A35.2Very low45.1Very low98 Ų98102.1 Ų102.181%0.8171%0.714SS**  trans-128.6150163.400000109.2G140A138-G140 PolarHBondContact O-N 2.85Å
139V48.5Very low46.2Very low166 Ų16698 Ų98100%1.00669%0.689SS**  trans-88.7100.6-171.7-174.90000110.5
140G41.2Very low47.2Very low71 Ų7194.9 Ų94.973%0.73268%0.681SS**  trans-139130.7175.500000111.1A138 G142A138-G140 PolarHBondContact O-N 2.85Å; G140-G142 PolarHBondContact O-N 3.47Å
141G48.1Very low48.5Very low94 Ų9497 Ų9797%0.96968%0.681SS**  trans-79.4119.1-169.400000114.2
142G42.6Very low49.5Very low63 Ų6395.6 Ų95.665%0.64967%0.666SS**  trans-143.8119.9163.100000109.4G140 F144G140-G142 PolarHBondContact O-N 3.47Å; G142-F144 PolarHBondContact O-N 2.96Å; G142-F144 VanDerWaalsContact O-N 3.11Å
143V53.7Low50.7Low138 Ų13891.6 Ų91.684%0.83664%0.637SS**  trans-82.723.3-172.6-62.90000114
144F49.7Very low51.4Low71 Ų7188.8 Ų88.831%0.31162%0.62SS.*SBendtrans-125.1138.2-177.5-72.8-85.2000110.9G142 L148 I153G142-F144 PolarHBondContact O-N 2.96Å; G142-F144 VanDerWaalsContact O-N 3.11Å; F144-L148 HydrophobicContact CD1-CD1 4.32Å; F144-I153 HydrophobicContact CE1-CG2 4.46Å
145P49.2Very low52.8Low42 Ų4289.8 Ų89.827%0.27361%0.608SS.*  trans-66.1142.3174.128.4-33.8000110.3Q147 L148 L172P145-Q147 PolarHBondContact O-N 3.45Å; P145-L148 HydrophobicContact CG-CD1 4.12Å; P145-L148 HydrophobicContact CG-CG 4.18Å; P145-L148 PolarHBondContact O-N 3.38Å; P145-L172 HydrophobicContact CG-CD1 4.45Å; P145-L172 HydrophobicContact CG-CD2 4.4Å
146P53.4Low54.1Low130 Ų13085.3 Ų85.384%0.84457%0.57SS**THydrogen-bonded Turntrans-75.530.7-171.133.5-38.8000114.2
147Q55.7Low55.2Low93 Ų9382.1 Ų82.144%0.43555%0.554SS.*THydrogen-bonded Turntrans-131.7-1.2-173.5-95.2-70.7-3100113.4P145P145-Q147 PolarHBondContact O-N 3.45Å
148L57.6Low56.5Low19 Ų1984.2 Ų84.210%0.09954%0.543CS..SBendtrans-87.5121.2171.8-64.2179.4000109.7F144 P145 I153 L156 L171F144-L148 HydrophobicContact CD1-CD1 4.32Å; P145-L148 HydrophobicContact CG-CD1 4.12Å; P145-L148 HydrophobicContact CG-CG 4.18Å; P145-L148 PolarHBondContact O-N 3.38Å; L148-I153 HydrophobicContact CB-CD1 4.15Å; L148-I153 HydrophobicContact CB-CG1 3.79Å; L148-L156 HydrophobicContact CD1-CD1 4.24Å; L148-L171 HydrophobicContact CD2-CD2 3.59Å; L148-L171 HydrophobicContact CD2-CG 3.96Å
149S59.3Low58.2Low42 Ų4284.4 Ų84.429%0.29452%0.524SS..  trans-50.7140.5169.9172.70000110.1Q151 H152 I153S149-Q151 PolarHBondContact O-N 3.33Å; S149-Q151 PolarHBondContact OG-N 3.09Å; S149-H152 WeakPolarHBondContact O-CA 3.34Å; S149-H152 WeakPolarHBondContact O-CB 3.48Å; S149-H152 PolarHBondContact O-N 3.04Å; S149-I153 PolarHBondContact O-N 3.11Å; S149-I153 VanDerWaalsContact O-N 3.12Å
150P56.1Low59.4Low106 Ų10679.8 Ų79.869%0.68850%0.497SS*.Hα-helixtrans-51.6-29.2175.5-28.535.8000113.6I153 A154P150-I153 PolarHBondContact O-N 3.46Å; P150-A154 WeakPolarHBondContact O-CB 3.45Å; P150-A154 PolarHBondContact O-N 2.9Å
151Q65.5Low60.4Low152 Ų15281 Ų8171%0.7149%0.492SS*.Hα-helixtrans-66.2-39.4175-65.7164.5-21.900112.5S149 M155S149-Q151 PolarHBondContact O-N 3.33Å; S149-Q151 PolarHBondContact OG-N 3.09Å; Q151-M155 PolarHBondContact O-N 3.29Å
152H66.8Low61.3Low75 Ų7581.8 Ų81.835%0.34747%0.47SS..Hα-helixtrans-69.2-42174.4-60.4169.8000110.6S149 A154 M155 L156 L171S149-H152 WeakPolarHBondContact O-CA 3.34Å; S149-H152 WeakPolarHBondContact O-CB 3.48Å; S149-H152 PolarHBondContact O-N 3.04Å; H152-A154 VanDerWaalsContact C-N 3.31Å; H152-A154 PolarHBondContact O-N 3.27Å; H152-M155 PolarHBondContact O-N 3.22Å; H152-L156 WeakPolarHBondContact O-CB 3.15Å; H152-L156 WeakPolarHBondContact O-CD1 3.48Å; H152-L156 WeakPolarHBondContact O-CG 3.33Å; H152-L156 PolarHBondContact O-N 3.22Å; H152-L171 HydrophobicContact CB-CD2 4.26Å
153I68.5Low62.9Low49 Ų4982.2 Ų82.225%0.25146%0.457SS..Hα-helixtrans-61.9-40.7176.5-58.6174.4000110.8F144 L148 S149 P150 L156 S157F144-I153 HydrophobicContact CE1-CG2 4.46Å; L148-I153 HydrophobicContact CB-CD1 4.15Å; L148-I153 HydrophobicContact CB-CG1 3.79Å; S149-I153 PolarHBondContact O-N 3.11Å; S149-I153 VanDerWaalsContact O-N 3.12Å; P150-I153 PolarHBondContact O-N 3.46Å; I153-L156 PolarHBondContact O-N 3.42Å; I153-S157 WeakPolarHBondContact O-CB 3.33Å; I153-S157 PolarHBondContact O-N 3.41Å; I153-S157 PolarHBondContact O-OG 2.92Å
154A58.9Low63.9Low61 Ų6177.3 Ų77.350%0.50443%0.425SS..Hα-helixtrans-63.3-47.5175.700000112.3P150 H152 L156 S157P150-A154 WeakPolarHBondContact O-CB 3.45Å; P150-A154 PolarHBondContact O-N 2.9Å; H152-A154 VanDerWaalsContact C-N 3.31Å; H152-A154 PolarHBondContact O-N 3.27Å; A154-L156 VanDerWaalsContact C-N 3.33Å; A154-L156 PolarHBondContact O-N 3.07Å; A154-S157 PolarHBondContact O-N 2.92Å
155M69.6Low65.1Low90 Ų9076 Ų7644%0.44342%0.421SS..Hα-helixtrans-59.8-42.5175.5178.6-113.1-72.800112Q151 H152 S157 I158 Y159Q151-M155 PolarHBondContact O-N 3.29Å; H152-M155 PolarHBondContact O-N 3.22Å; M155-S157 VanDerWaalsContact C-N 3.3Å; M155-S157 PolarHBondContact O-N 3.48Å; M155-I158 WeakPolarHBondContact O-CG1 3.27Å; M155-I158 PolarHBondContact O-N 3.3Å; M155-Y159 WeakPolarHBondContact O-CD2 3.42Å; M155-Y159 WeakPolarHBondContact O-CE2 3.31Å
156L69.1Low66.5Low4 Ų479.9 Ų79.92%0.02144%0.436CS..Hα-helixtrans-65.1-31.3177.1-71.3170000112.7L148 H152 I153 A154 I158 Y159 Q164 L167 A168L148-L156 HydrophobicContact CD1-CD1 4.24Å; H152-L156 WeakPolarHBondContact O-CB 3.15Å; H152-L156 WeakPolarHBondContact O-CD1 3.48Å; H152-L156 WeakPolarHBondContact O-CG 3.33Å; H152-L156 PolarHBondContact O-N 3.22Å; I153-L156 PolarHBondContact O-N 3.42Å; A154-L156 VanDerWaalsContact C-N 3.33Å; A154-L156 PolarHBondContact O-N 3.07Å; L156-I158 PolarHBondContact O-N 3.28Å; L156-Y159 PolarHBondContact O-N 2.76Å; L156-Q164 HydrophobicContact CB-CG 4.04Å; L156-Q164 WeakPolarHBondContact O-CG 3.34Å; L156-L167 HydrophobicContact CD2-CB 3.4Å; L156-L167 VanDerWaalsContact CD2-CB 3.4Å; L156-L167 HydrophobicContact CD2-CD2 4.05Å; L156-L167 HydrophobicContact CD2-CG 4.39Å; L156-A168 HydrophobicContact CD1-CB 4.22Å
157S64.6Low67.8Low72 Ų7276.8 Ų76.850%0.50341%0.412SS..THydrogen-bonded Turntrans-73.6-3.6-179.1-58.40000114.8I153 A154 M155 Y159 Q164I153-S157 WeakPolarHBondContact O-CB 3.33Å; I153-S157 PolarHBondContact O-N 3.41Å; I153-S157 PolarHBondContact O-OG 2.92Å; A154-S157 PolarHBondContact O-N 2.92Å; M155-S157 VanDerWaalsContact C-N 3.3Å; M155-S157 PolarHBondContact O-N 3.48Å; S157-Y159 VanDerWaalsContact C-N 3.3Å; S157-Q164 PolarHBondContact OG-NE2 3.1Å
158I72.1Confident68.8Low132 Ų13272.8 Ų72.868%0.67740%0.395SS*.THydrogen-bonded Turntrans-77.8-21173.1-52.4172.3000110.8M155 L156M155-I158 WeakPolarHBondContact O-CG1 3.27Å; M155-I158 PolarHBondContact O-N 3.3Å; L156-I158 PolarHBondContact O-N 3.28Å
159Y72.5Confident69.8Low103 Ų10373.2 Ų73.240%0.40440%0.399SS..SBendtrans-98.5150.3-173.3-59.7-81.4000113.1M155 L156 S157 I163 L167M155-Y159 WeakPolarHBondContact O-CD2 3.42Å; M155-Y159 WeakPolarHBondContact O-CE2 3.31Å; L156-Y159 PolarHBondContact O-N 2.76Å; S157-Y159 VanDerWaalsContact C-N 3.3Å; Y159-I163 HydrophobicContact CD1-CG2 4.05Å; Y159-I163 HydrophobicContact CG-CG2 4.07Å; Y159-L167 HydrophobicContact CE2-CD2 4.39Å
160P73.6Confident70.8Confident69 Ų6977 Ų7745%0.44841%0.412SS..  trans-51.5144.5169.5-27.434.7000112.3Q162 I163 Q164P160-Q162 PolarHBondContact O-N 3.02Å; P160-I163 HydrophobicContact CG-CD1 4.41Å; P160-I163 WeakPolarHBondContact O-CA 3.48Å; P160-I163 WeakPolarHBondContact O-CB 3.43Å; P160-I163 PolarHBondContact O-N 3.17Å; P160-Q164 PolarHBondContact O-N 3.43Å
161P62Low71.9Confident96 Ų9674.6 Ų74.662%0.62339%0.393SS*.Hα-helixtrans-60.4-25.9-165.920.6-33.4000114.9L165P161-L165 PolarHBondContact O-N 2.99Å; P161-L165 VanDerWaalsContact O-N 3.16Å
162Q67.6Low72.5Confident110 Ų11069 Ų6951%0.51437%0.368SS..Hα-helixtrans-68.8-36.1172.862.6-163.1-300113.4P160 Q166P160-Q162 PolarHBondContact O-N 3.02Å; Q162-Q166 PolarHBondContact O-N 3.39Å
163I75.5Confident73Confident72 Ų7270.5 Ų70.537%0.36938%0.377SS..Hα-helixtrans-79-37.2174.3-63.7171.7000109.8Y159 P160 L165 Q166 L167Y159-I163 HydrophobicContact CD1-CG2 4.05Å; Y159-I163 HydrophobicContact CG-CG2 4.07Å; P160-I163 HydrophobicContact CG-CD1 4.41Å; P160-I163 WeakPolarHBondContact O-CA 3.48Å; P160-I163 WeakPolarHBondContact O-CB 3.43Å; P160-I163 PolarHBondContact O-N 3.17Å; I163-L165 PolarHBondContact O-N 3.48Å; I163-Q166 WeakPolarHBondContact O-CB 3.42Å; I163-Q166 PolarHBondContact O-N 3.44Å; I163-Q166 VanDerWaalsContact O-N 3.17Å; I163-L167 HydrophobicContact CG2-CD1 4Å; I163-L167 PolarHBondContact O-N 3.12Å
164Q73.9Confident73.2Confident35 Ų3575 Ų7516%0.16440%0.398CS..Hα-helixtrans-55.3-48.3176.4-169.917731.700112.1L156 S157 P160 A168L156-Q164 HydrophobicContact CB-CG 4.04Å; L156-Q164 WeakPolarHBondContact O-CG 3.34Å; S157-Q164 PolarHBondContact OG-NE2 3.1Å; P160-Q164 PolarHBondContact O-N 3.43Å; Q164-A168 VanDerWaalsContact O-CB 3.3Å; Q164-A168 WeakPolarHBondContact O-CB 3.15Å; Q164-A168 PolarHBondContact O-N 2.89Å
165L76.3Confident73.5Confident43 Ų4377.1 Ų77.123%0.22540%0.397CS..Hα-helixtrans-66.8-40.8175.9-178.262.2000112P161 I163 L167 A168 C169 L210P161-L165 PolarHBondContact O-N 2.99Å; P161-L165 VanDerWaalsContact O-N 3.16Å; I163-L165 PolarHBondContact O-N 3.48Å; L165-L167 PolarHBondContact O-N 2.75Å; L165-A168 PolarHBondContact O-N 2.93Å; L165-C169 WeakPolarHBondContact O-CB 3.46Å; L165-C169 PolarHBondContact O-N 3.33Å; L165-C169 PolarHBondContact O-SG 2.92Å; L165-C169 VanDerWaalsContact O-SG 3.42Å; L165-L210 HydrophobicContact CD2-CD1 4.17Å
166Q77.6Confident73.1Confident125 Ų12576.7 Ų76.758%0.58439%0.394SS*.Hα-helixtrans-57-48179.8-170.468.936.400111.3Q162 I163 Q170Q162-Q166 PolarHBondContact O-N 3.39Å; I163-Q166 WeakPolarHBondContact O-CB 3.42Å; I163-Q166 PolarHBondContact O-N 3.44Å; I163-Q166 VanDerWaalsContact O-N 3.17Å; Q166-Q170 WeakPolarHBondContact O-CB 3.48Å; Q166-Q170 PolarHBondContact O-N 3Å
167L81.8Confident72.3Confident65 Ų6583.6 Ų83.634%0.3443%0.426SS..Hα-helixtrans-69.6-38.3175.9-91.165.1000112.6L156 Y159 I163 L165 C169 Q170 L171L156-L167 HydrophobicContact CD2-CB 3.4Å; L156-L167 VanDerWaalsContact CD2-CB 3.4Å; L156-L167 HydrophobicContact CD2-CD2 4.05Å; L156-L167 HydrophobicContact CD2-CG 4.39Å; Y159-L167 HydrophobicContact CE2-CD2 4.39Å; I163-L167 HydrophobicContact CG2-CD1 4Å; I163-L167 PolarHBondContact O-N 3.12Å; L165-L167 PolarHBondContact O-N 2.75Å; L167-C169 VanDerWaalsContact C-N 3.34Å; L167-C169 PolarHBondContact O-N 3.44Å; L167-Q170 WeakPolarHBondContact O-CB 3.45Å; L167-Q170 PolarHBondContact O-N 2.93Å; L167-L171 WeakPolarHBondContact O-CB 3.39Å; L167-L171 PolarHBondContact O-N 3.48Å
168A76.8Confident71.6Confident9 Ų985.1 Ų85.17%0.07443%0.434CS..Hα-helixtrans-61.9-41.6177.300000112L156 Q164 L165 L172L156-A168 HydrophobicContact CD1-CB 4.22Å; Q164-A168 VanDerWaalsContact O-CB 3.3Å; Q164-A168 WeakPolarHBondContact O-CB 3.15Å; Q164-A168 PolarHBondContact O-N 2.89Å; L165-A168 PolarHBondContact O-N 2.93Å; A168-L172 WeakPolarHBondContact O-CB 3.34Å; A168-L172 PolarHBondContact O-N 3.07Å
169C78.2Confident70.4Confident28 Ų2883.3 Ų83.319%0.18943%0.431CS..Hα-helixtrans-65.3-41.8172.6-72.50000112.2L165 L167 L171 L172 L173L165-C169 WeakPolarHBondContact O-CB 3.46Å; L165-C169 PolarHBondContact O-N 3.33Å; L165-C169 PolarHBondContact O-SG 2.92Å; L165-C169 VanDerWaalsContact O-SG 3.42Å; L167-C169 VanDerWaalsContact C-N 3.34Å; L167-C169 PolarHBondContact O-N 3.44Å; C169-L171 PolarHBondContact O-N 3.42Å; C169-L172 PolarHBondContact O-N 3Å; C169-L173 WeakPolarHBondContact O-CB 3.3Å; C169-L173 WeakPolarHBondContact O-CG 3.33Å; C169-L173 PolarHBondContact O-N 3.5Å
170Q79.9Confident69.1Low122 Ų12284.5 Ų84.557%0.5745%0.451SS*.Hα-helixtrans-60.1-44.7177.2-168.170.27900111.9Q166 L167 L173 Q174Q166-Q170 WeakPolarHBondContact O-CB 3.48Å; Q166-Q170 PolarHBondContact O-N 3Å; L167-Q170 WeakPolarHBondContact O-CB 3.45Å; L167-Q170 PolarHBondContact O-N 2.93Å; Q170-L173 PolarHBondContact O-N 2.95Å; Q170-Q174 PolarHBondContact O-N 3.2Å; Q170-Q174 VanDerWaalsContact O-N 3.07Å
171L79.8Confident67.8Low55 Ų5588.8 Ų88.829%0.28847%0.466SS..Hα-helixtrans-69.3-37.6178.7-178.456.1000112.2L148 H152 L167 C169 Q174 Q175L148-L171 HydrophobicContact CD2-CD2 3.59Å; L148-L171 HydrophobicContact CD2-CG 3.96Å; H152-L171 HydrophobicContact CB-CD2 4.26Å; L167-L171 WeakPolarHBondContact O-CB 3.39Å; L167-L171 PolarHBondContact O-N 3.48Å; C169-L171 PolarHBondContact O-N 3.42Å; L171-Q174 PolarHBondContact O-N 2.87Å; L171-Q175 PolarHBondContact O-N 3.46Å; L171-Q175 VanDerWaalsContact O-N 3.09Å
172L77.5Confident67.1Low35 Ų3588.9 Ų88.918%0.18347%0.466CS..Hα-helixtrans-67.4-39.4175.6-175.561.8000112.2P145 A168 C169 Q174 Q175 Q176 I206P145-L172 HydrophobicContact CG-CD1 4.45Å; P145-L172 HydrophobicContact CG-CD2 4.4Å; A168-L172 WeakPolarHBondContact O-CB 3.34Å; A168-L172 PolarHBondContact O-N 3.07Å; C169-L172 PolarHBondContact O-N 3Å; L172-Q174 VanDerWaalsContact C-N 3.34Å; L172-Q175 PolarHBondContact O-N 2.92Å; L172-Q176 PolarHBondContact O-N 3.22Å; L172-I206 HydrophobicContact CD2-CD1 3.56Å; L172-I206 HydrophobicContact CD2-CG1 4.4Å
173L77.1Confident66.1Low105 Ų10592.3 Ų92.355%0.5548%0.484SS..Hα-helixtrans-63.7-39.3172.3-78.5166.1000111.7C169 Q170 Q176C169-L173 WeakPolarHBondContact O-CB 3.3Å; C169-L173 WeakPolarHBondContact O-CG 3.33Å; C169-L173 PolarHBondContact O-N 3.5Å; Q170-L173 PolarHBondContact O-N 2.95Å; L173-Q176 WeakPolarHBondContact O-CB 3.47Å; L173-Q176 PolarHBondContact O-N 3.36Å
174Q73.4Confident64.7Low144 Ų14496.1 Ų96.167%0.67350%0.504SS*.Hα-helixtrans-68.2-34.3178.4-173.5153.974.700113Q170 L171 L172 Q176Q170-Q174 PolarHBondContact O-N 3.2Å; Q170-Q174 VanDerWaalsContact O-N 3.07Å; L171-Q174 PolarHBondContact O-N 2.87Å; L172-Q174 VanDerWaalsContact C-N 3.34Å; Q174-Q176 PolarHBondContact O-N 3.48Å
175Q65.3Low63.6Low106 Ų106103 Ų10350%0.49554%0.537SS..Hα-helixtrans-67.1-18.3170.7-155.8-16293.200112.6L171 L172L171-Q175 PolarHBondContact O-N 3.46Å; L171-Q175 VanDerWaalsContact O-N 3.09Å; L172-Q175 PolarHBondContact O-N 2.92Å
176Q60.3Low61.5Low80 Ų80108.3 Ų108.337%0.37457%0.565SS.*THydrogen-bonded Turntrans-88.8-6.6-174.6-153.3166.2108.200113.8L172 L173 Q174 P178 P198L172-Q176 PolarHBondContact O-N 3.22Å; L173-Q176 WeakPolarHBondContact O-CB 3.47Å; L173-Q176 PolarHBondContact O-N 3.36Å; Q174-Q176 PolarHBondContact O-N 3.48Å; Q176-P178 WeakPolarHBondContact O-CD 3.44Å; Q176-P198 HydrophobicContact CG-CG 3.94Å
177Q53Low59.8Low149 Ų149111.1 Ų111.170%0.69658%0.578SS**SBendtrans-74.5117.7174-171.5171.98.800109.9
178P49.7Very low57.8Low105 Ų105118.8 Ų118.868%0.68260%0.603SS**PPolyproline II helixtrans-64.2134.4178.5-19.832.7000110.3Q176Q176-P178 WeakPolarHBondContact O-CD 3.44Å
179P47.6Very low56.4Low94 Ų94127.4 Ų127.461%0.6164%0.639SS**PPolyproline II helixtrans-61.7137.2168.927-33.3000108.8Q181P179-Q181 PolarHBondContact O-N 3.07Å
180P44Very low54.2Low127 Ų127136.1 Ų136.183%0.82567%0.674SS**  trans-65.4101.2178.826.2-33.4000109.6P182P180-P182 WeakPolarHBondContact O-CD 3.48Å
181Q46.2Very low51.8Low160 Ų160135 Ų13575%0.74868%0.68SS**  trans-67113.6178-70.4-79-12.400109.7P179 M183P179-Q181 PolarHBondContact O-N 3.07Å; Q181-M183 PolarHBondContact O-N 3.04Å
182P46.9Very low49.8Very low98 Ų98138.5 Ų138.564%0.63671%0.705SS**  trans-65.4126.3162.629.1-32.1000107.6P180 L184P180-P182 WeakPolarHBondContact O-CD 3.48Å; P182-L184 PolarHBondContact O-N 3.43Å
183M46.6Very low47.8Very low182 Ų182144.2 Ų144.290%0.89774%0.736SS**  trans-76.953.2-171.4-160-169.876.800112.9Q181Q181-M183 PolarHBondContact O-N 3.04Å
184L46.4Very low46.1Very low151 Ų151145.2 Ų145.279%0.79175%0.746SS**  trans-105.986.8-176.1-67.2-178.6000111.8P182 N186P182-L184 PolarHBondContact O-N 3.43Å; L184-N186 PolarHBondContact O-N 3.08Å
185Q50.5Low44.7Very low179 Ų179146.1 Ų146.184%0.83675%0.75SS**  trans8.2108137.6-177.1-166.5104.600115.8
186N32.4Very low43.7Very low155 Ų155146.2 Ų146.283%0.82975%0.751SS**  trans-154127.7147.5-124.9-84.2000113L184 R188L184-N186 PolarHBondContact O-N 3.08Å; N186-R188 PolarHBondContact O-N 2.85Å
187Q41.8Very low42.8Very low184 Ų184148.2 Ų148.286%0.8676%0.76SS**  trans-94.595.1180-75.5-156.381.600112
188R41.2Very low42.6Very low227 Ų227143 Ų14386%0.85774%0.739SS**  trans-154.8118.2151.1-149.6149.5-68.7-165.40.4114.6N186 F190N186-R188 PolarHBondContact O-N 2.85Å; R188-F190 PolarHBondContact O-N 3.25Å
189K45.9Very low42.6Very low190 Ų190140.5 Ų140.583%0.82672%0.72SS**  trans0.7107.9155.8-61.4176.1175.5-177.90116.5
190F33.2Very low43.2Very low211 Ų211140.6 Ų140.693%0.92572%0.721SS**  trans-150163.2134.5-92-63.2000109.9R188R188-F190 PolarHBondContact O-N 3.25Å
191S29.5Very low43.9Very low99 Ų99140.4 Ų140.469%0.69271%0.709SS**  trans-61.1148.6-167.3-50.80000113.4N193S191-N193 PolarHBondContact O-N 2.98Å
192P38Very low44.9Very low127 Ų127137 Ų13783%0.82569%0.693SS**  trans-65.3104.7169.428.5-33.3000109.2V194P192-V194 PolarHBondContact O-N 3.21Å
193N35.1Very low46.2Very low155 Ų155136.3 Ų136.383%0.82968%0.683SS**  trans-56.7130.4150.9-99.2-83.9000106.6S191 H195S191-N193 PolarHBondContact O-N 2.98Å; N193-H195 PolarHBondContact O-N 3.48Å
194V42.2Very low47.4Very low126 Ų126130 Ų13076%0.76466%0.66SS**  trans-56.7113.1176.6-83.10000108.5P192 Q196P192-V194 PolarHBondContact O-N 3.21Å; V194-Q196 PolarHBondContact O-N 3.31Å
195H42.4Very low48.5Very low163 Ų163128.7 Ų128.776%0.75565%0.645SS**  trans-58.3103.9170-179.6-123.8000106.5N193 Q197N193-H195 PolarHBondContact O-N 3.48Å; H195-Q197 PolarHBondContact O-N 2.93Å
196Q44.9Very low49.8Very low109 Ų109123 Ų12351%0.50962%0.619SS.*  trans-71.763.6169.2-76.3-148.9113.700109.1V194 P198V194-Q196 PolarHBondContact O-N 3.31Å; Q196-P198 WeakPolarHBondContact O-CD 3.47Å
197Q41.3Very low51.7Low121 Ų121121.5 Ų121.557%0.56561%0.609SS**  trans-54.9118.2154.4-137-78.4-68.400105.1H195 D199H195-Q197 PolarHBondContact O-N 2.93Å; Q197-D199 PolarHBondContact O-N 3.08Å
198P48.6Very low53.2Low40 Ų40116.3 Ų116.326%0.2659%0.59SS.*  trans-63.2104.1-179.925.5-35.2000108.2Q176 Q196Q176-P198 HydrophobicContact CG-CG 3.94Å; Q196-P198 WeakPolarHBondContact O-CD 3.47Å
199D51Low54.9Low53 Ų53109.2 Ų109.228%0.28357%0.572SS.*  trans-45.8126.7175.3151.438.3000108.6Q197 Q201 Q202 L203 R205Q197-D199 PolarHBondContact O-N 3.08Å; D199-Q201 PolarHBondContact O-N 3.3Å; D199-Q201 WeakPolarHBondContact OD1-CB 3.28Å; D199-Q201 WeakPolarHBondContact OD1-CG 3.41Å; D199-Q201 PolarHBondContact OD1-N 3.11Å; D199-Q201 WeakPolarHBondContact OD2-CB 3.45Å; D199-Q202 HydrophobicContact CB-CG 4.11Å; D199-Q202 WeakPolarHBondContact O-CA 3.37Å; D199-Q202 WeakPolarHBondContact O-CB 3.48Å; D199-Q202 PolarHBondContact O-N 3.34Å; D199-Q202 PolarHBondContact OD2-N 3.48Å; D199-L203 PolarHBondContact O-N 3.35Å; D199-R205 IonicContact OD2-NH2 2.97Å; D199-R205 PolarHBondContact OD2-NH2 3.45Å
200P58.2Low56.4Low96 Ų96104.1 Ų104.162%0.62355%0.553SS**Hα-helixtrans-57-23.5-178.321.3-32.5000112.5L203 A204P200-L203 PolarHBondContact O-N 3.11Å; P200-A204 WeakPolarHBondContact O-CB 3.49Å; P200-A204 PolarHBondContact O-N 3.38Å
201Q60Low58.5Low123 Ų123100.3 Ų100.358%0.57554%0.538SS*.Hα-helixtrans-74.6-25.7171.2-50.5-170.82.700113.9D199 R205D199-Q201 PolarHBondContact O-N 3.3Å; D199-Q201 WeakPolarHBondContact OD1-CB 3.28Å; D199-Q201 WeakPolarHBondContact OD1-CG 3.41Å; D199-Q201 PolarHBondContact OD1-N 3.11Å; D199-Q201 WeakPolarHBondContact OD2-CB 3.45Å; Q201-R205 WeakPolarHBondContact O-CB 3.44Å; Q201-R205 VanDerWaalsContact O-CG 3.28Å; Q201-R205 WeakPolarHBondContact O-CG 3.28Å; Q201-R205 PolarHBondContact O-N 3.27Å; Q201-R205 PolarHBondContact O-NE 3.39Å
202Q66Low60.5Low87 Ų87102 Ų10241%0.40754%0.535SS..Hα-helixtrans-65.5-44.7167.9-69.7-171.120.200110.6D199 A204 R205 I206D199-Q202 HydrophobicContact CB-CG 4.11Å; D199-Q202 WeakPolarHBondContact O-CA 3.37Å; D199-Q202 WeakPolarHBondContact O-CB 3.48Å; D199-Q202 PolarHBondContact O-N 3.34Å; D199-Q202 PolarHBondContact OD2-N 3.48Å; Q202-A204 VanDerWaalsContact C-N 3.34Å; Q202-A204 PolarHBondContact O-N 3.24Å; Q202-R205 PolarHBondContact O-N 3.16Å; Q202-I206 WeakPolarHBondContact O-CD1 3.42Å; Q202-I206 VanDerWaalsContact O-CG1 3.31Å; Q202-I206 WeakPolarHBondContact O-CG1 3.46Å; Q202-I206 PolarHBondContact O-N 2.88Å
203L75.4Confident61.7Low85 Ų8599.5 Ų99.545%0.44551%0.512SS..Hα-helixtrans-61.4-42.9174.8-176.759.4000111.4D199 P200 R205 I206 M207D199-L203 PolarHBondContact O-N 3.35Å; P200-L203 PolarHBondContact O-N 3.11Å; L203-R205 PolarHBondContact O-N 3.43Å; L203-I206 PolarHBondContact O-N 3.46Å; L203-M207 WeakPolarHBondContact O-CG 3.48Å; L203-M207 PolarHBondContact O-N 3.17Å
204A70.7Confident63.2Low50 Ų5098.7 Ų98.741%0.41350%0.498SS..Hα-helixtrans-62.3-38.2173.900000113.1P200 Q202 M207 T208P200-A204 WeakPolarHBondContact O-CB 3.49Å; P200-A204 PolarHBondContact O-N 3.38Å; Q202-A204 VanDerWaalsContact C-N 3.34Å; Q202-A204 PolarHBondContact O-N 3.24Å; A204-M207 PolarHBondContact O-N 3.16Å; A204-T208 WeakPolarHBondContact O-CB 3.41Å; A204-T208 WeakPolarHBondContact O-CG2 3.41Å; A204-T208 PolarHBondContact O-N 2.9Å; A204-T208 PolarHBondContact O-OG1 3.18Å
205R70.9Confident64Low123 Ų12398.7 Ų98.746%0.46449%0.489SS..Hα-helixtrans-64.4-40.3173.2-78.2-177.9-70.1-92.4-1.3111.9D199 Q201 Q202 L203 T208 V209D199-R205 IonicContact OD2-NH2 2.97Å; D199-R205 PolarHBondContact OD2-NH2 3.45Å; Q201-R205 WeakPolarHBondContact O-CB 3.44Å; Q201-R205 VanDerWaalsContact O-CG 3.28Å; Q201-R205 WeakPolarHBondContact O-CG 3.28Å; Q201-R205 PolarHBondContact O-N 3.27Å; Q201-R205 PolarHBondContact O-NE 3.39Å; Q202-R205 PolarHBondContact O-N 3.16Å; L203-R205 PolarHBondContact O-N 3.43Å; R205-T208 WeakPolarHBondContact CA-OG1 3.42Å; R205-T208 PolarHBondContact O-OG1 2.95Å; R205-T208 VanDerWaalsContact O-OG1 3.12Å; R205-V209 WeakPolarHBondContact O-CG2 3.32Å; R205-V209 PolarHBondContact O-N 3.36Å; R205-V209 VanDerWaalsContact O-N 3.1Å
206I77.7Confident64.7Low58 Ų5898.1 Ų98.130%0.29749%0.487SS..Hα-helixtrans-66.1-46.1175.7-65.3156.1000110.7L172 Q202 L203 T208 V209 L210L172-I206 HydrophobicContact CD2-CD1 3.56Å; L172-I206 HydrophobicContact CD2-CG1 4.4Å; Q202-I206 WeakPolarHBondContact O-CD1 3.42Å; Q202-I206 VanDerWaalsContact O-CG1 3.31Å; Q202-I206 WeakPolarHBondContact O-CG1 3.46Å; Q202-I206 PolarHBondContact O-N 2.88Å; L203-I206 PolarHBondContact O-N 3.46Å; I206-T208 PolarHBondContact O-N 3.01Å; I206-V209 PolarHBondContact O-N 3.09Å; I206-L210 WeakPolarHBondContact O-CB 3.5Å; I206-L210 PolarHBondContact O-N 3.41Å
207M71.9Confident65.1Low124 Ų12498 Ų9861%0.61149%0.486SS*.Hα-helixtrans-62.8-40.8177.6-75.1-171.669.500112.9L203 A204 L210 Q211L203-M207 WeakPolarHBondContact O-CG 3.48Å; L203-M207 PolarHBondContact O-N 3.17Å; A204-M207 PolarHBondContact O-N 3.16Å; M207-L210 PolarHBondContact O-N 3.32Å; M207-Q211 VanDerWaalsContact O-CB 3.28Å; M207-Q211 WeakPolarHBondContact O-CB 3.49Å; M207-Q211 PolarHBondContact O-N 3.49Å
208T74Confident65.5Low76 Ų7699 Ų9947%0.46649%0.491SS..Hα-helixtrans-69.7-37.2178.944.40000112.6A204 R205 I206 Q211 Q212A204-T208 WeakPolarHBondContact O-CB 3.41Å; A204-T208 WeakPolarHBondContact O-CG2 3.41Å; A204-T208 PolarHBondContact O-N 2.9Å; A204-T208 PolarHBondContact O-OG1 3.18Å; R205-T208 WeakPolarHBondContact CA-OG1 3.42Å; R205-T208 PolarHBondContact O-OG1 2.95Å; R205-T208 VanDerWaalsContact O-OG1 3.12Å; I206-T208 PolarHBondContact O-N 3.01Å; T208-Q211 PolarHBondContact O-N 2.86Å; T208-Q212 VanDerWaalsContact O-CB 3.27Å; T208-Q212 WeakPolarHBondContact O-CB 3.46Å; T208-Q212 PolarHBondContact O-N 3.3Å
209V75.9Confident65.3Low78 Ų78102.6 Ų102.647%0.47351%0.506SS..Hα-helixtrans-62.3-46.5170.5169.40000111.2R205 I206 Q211 Q212 Q213R205-V209 WeakPolarHBondContact O-CG2 3.32Å; R205-V209 PolarHBondContact O-N 3.36Å; R205-V209 VanDerWaalsContact O-N 3.1Å; I206-V209 PolarHBondContact O-N 3.09Å; V209-Q211 PolarHBondContact O-N 3.12Å; V209-Q212 PolarHBondContact O-N 3.19Å; V209-Q213 PolarHBondContact O-N 3.47Å
210L77.9Confident64.9Low82 Ų82103.5 Ų103.543%0.42953%0.528SS..Hα-helixtrans-62.5-41.1178.3-176.462.5000112.3L165 I206 M207 Q213 R214L165-L210 HydrophobicContact CD2-CD1 4.17Å; I206-L210 WeakPolarHBondContact O-CB 3.5Å; I206-L210 PolarHBondContact O-N 3.41Å; M207-L210 PolarHBondContact O-N 3.32Å; L210-Q213 PolarHBondContact O-N 2.83Å; L210-R214 PolarHBondContact O-N 3Å
211Q76.4Confident64Low132 Ų132102.1 Ų102.162%0.61753%0.532SS*.Hα-helixtrans-65.6-42.6176.1-173.3176.654.600111.9M207 T208 V209 R214 Q215M207-Q211 VanDerWaalsContact O-CB 3.28Å; M207-Q211 WeakPolarHBondContact O-CB 3.49Å; M207-Q211 PolarHBondContact O-N 3.49Å; T208-Q211 PolarHBondContact O-N 2.86Å; V209-Q211 PolarHBondContact O-N 3.12Å; Q211-R214 PolarHBondContact O-N 3.01Å; Q211-Q215 PolarHBondContact O-N 3.2Å; Q211-Q215 VanDerWaalsContact O-N 3.11Å
212Q71Confident63.1Low134 Ų134103.9 Ų103.963%0.62654%0.544SS*.Hα-helixtrans-65.1-39.6176.8-176.5169.174.400112T208 V209 Q215 H216T208-Q212 VanDerWaalsContact O-CB 3.27Å; T208-Q212 WeakPolarHBondContact O-CB 3.46Å; T208-Q212 PolarHBondContact O-N 3.3Å; V209-Q212 PolarHBondContact O-N 3.19Å; Q212-Q215 PolarHBondContact O-N 3.17Å; Q212-H216 PolarHBondContact O-N 3.02Å; Q212-H216 VanDerWaalsContact O-N 3.08Å
213Q64.9Low61.7Low74 Ų74102.9 Ų102.935%0.34656%0.557SS.*Hα-helixtrans-68.3-36.6175.2-174.2164.2-19.100112.4V209 L210 Q215 H216 Q217V209-Q213 PolarHBondContact O-N 3.47Å; L210-Q213 PolarHBondContact O-N 2.83Å; Q213-Q215 VanDerWaalsContact C-N 3.34Å; Q213-Q215 PolarHBondContact O-N 3.45Å; Q213-H216 PolarHBondContact O-N 3Å; Q213-Q217 PolarHBondContact O-N 3.37Å
214R64.8Low60.6Low139 Ų139105.2 Ų105.253%0.52558%0.581SS.*Hα-helixtrans-61-39.5172-89.2-74.2-68.5175.5-0.8112.6L210 Q211 Q217 Q218L210-R214 PolarHBondContact O-N 3Å; Q211-R214 PolarHBondContact O-N 3.01Å; R214-Q217 PolarHBondContact O-N 2.75Å; R214-Q218 VanDerWaalsContact O-CG 3.28Å; R214-Q218 WeakPolarHBondContact O-CG 3.12Å; R214-Q218 PolarHBondContact O-N 2.88Å; R214-Q218 VanDerWaalsContact O-N 3.17Å
215Q61Low58.9Low126 Ų126105.8 Ų105.859%0.58959%0.591SS**Hα-helixtrans-63.8-44.3172.2-75-171.5-26.200111.8Q211 Q212 Q213 Q217 Q218 I219Q211-Q215 PolarHBondContact O-N 3.2Å; Q211-Q215 VanDerWaalsContact O-N 3.11Å; Q212-Q215 PolarHBondContact O-N 3.17Å; Q213-Q215 VanDerWaalsContact C-N 3.34Å; Q213-Q215 PolarHBondContact O-N 3.45Å; Q215-Q217 VanDerWaalsContact C-N 3.29Å; Q215-Q217 PolarHBondContact O-N 2.98Å; Q215-Q218 PolarHBondContact O-N 3.36Å; Q215-I219 WeakPolarHBondContact O-CB 3.26Å; Q215-I219 WeakPolarHBondContact O-CG1 3.41Å; Q215-I219 PolarHBondContact O-N 3.33Å
216H55.9Low57.8Low150 Ų150105.8 Ų105.869%0.69461%0.61SS**Hα-helixtrans-59.7-37.2178.5-12391.1000113Q212 Q213 G220Q212-H216 PolarHBondContact O-N 3.02Å; Q212-H216 VanDerWaalsContact O-N 3.08Å; Q213-H216 PolarHBondContact O-N 3Å; H216-G220 PolarHBondContact O-N 3.09Å; H216-G220 VanDerWaalsContact O-N 3.12Å
217Q54.1Low56.4Low108 Ų108112.3 Ų112.351%0.50564%0.636SS.*Hα-helixtrans-76-29178.1-163.6177.558.400113.2Q213 R214 Q215Q213-Q217 PolarHBondContact O-N 3.37Å; R214-Q217 PolarHBondContact O-N 2.75Å; Q215-Q217 VanDerWaalsContact C-N 3.29Å; Q215-Q217 PolarHBondContact O-N 2.98Å
218Q48.7Very low55.1Low142 Ų142116.4 Ų116.466%0.66465%0.651SS**Hα-helixtrans-76.4-25.2173-66.9-81.6-95.300112.7R214 Q215R214-Q218 VanDerWaalsContact O-CG 3.28Å; R214-Q218 WeakPolarHBondContact O-CG 3.12Å; R214-Q218 PolarHBondContact O-N 2.88Å; R214-Q218 VanDerWaalsContact O-N 3.17Å; Q215-Q218 PolarHBondContact O-N 3.36Å
219I44.9Very low53Low114 Ų114117.5 Ų117.559%0.58566%0.662SS**SBendtrans-102.54.9-177-65.1167.4000112Q215 G221 L222Q215-I219 WeakPolarHBondContact O-CB 3.26Å; Q215-I219 WeakPolarHBondContact O-CG1 3.41Å; Q215-I219 PolarHBondContact O-N 3.33Å; I219-G221 PolarHBondContact O-N 3.36Å; I219-L222 PolarHBondContact O-N 3.13Å
220G42Very low51.5Low72 Ų72119.7 Ų119.774%0.74268%0.678SS**THydrogen-bonded Turntrans-63.315.617600000116.3H216H216-G220 PolarHBondContact O-N 3.09Å; H216-G220 VanDerWaalsContact O-N 3.12Å
221G41Very low49.4Very low67 Ų67119.9 Ų119.969%0.69169%0.686SS**THydrogen-bonded Turntrans-126.912.6-177.500000115.4I219I219-G221 PolarHBondContact O-N 3.36Å
222L39.7Very low48Very low161 Ų161122.4 Ų122.484%0.84370%0.697SS**SBendtrans-172.9134.7159.4-107162.7000113.4I219I219-L222 PolarHBondContact O-N 3.13Å
223G37.3Very low46.5Very low66 Ų66124.6 Ų124.668%0.6871%0.707SS**  trans77.699.8150.500000118.8G225G223-G225 PolarHBondContact O-N 2.74Å
224S51.5Low45.1Very low134 Ų134124.6 Ų124.694%0.93773%0.727SS**  trans-60.7125.4150.4-179.30000109
225G36.6Very low43.8Very low61 Ų61122 Ų12263%0.62974%0.743SS**  trans-154.248.9-159.300000115.7G223 K227G223-G225 PolarHBondContact O-N 2.74Å; G225-K227 PolarHBondContact O-N 3.28Å
226S47Very low42.5Very low123 Ų123121.7 Ų121.786%0.8676%0.755SS**  trans-62.3102.4171.9-630000111.9
227K47.5Very low41.6Very low196 Ų196117.9 Ų117.985%0.85276%0.757SS**  trans-139.9112.2167.1-63.5-173.8-177.3-178.50109.7G225G225-K227 PolarHBondContact O-N 3.28Å
228F45.8Very low40.8Very low210 Ų210119.2 Ų119.292%0.92178%0.775SS**  trans-79.7124.4166.4-71.3-92.5000108.9
229S29.6Very low40Very low98 Ų98122.1 Ų122.169%0.68579%0.785SS**  trans-173.1111.9157.9-105.50000111.3S231S229-S231 PolarHBondContact O-N 3.46Å
230P44.9Very low39.7Very low125 Ų125124 Ų12481%0.81280%0.796SS**  trans-83.580165.833.5-31.3000109.9
231S33Very low39.5Very low86 Ų86127 Ų12760%0.60180%0.801SS**  trans-91.6109.3178.8-61.90000111.5S229 H233S229-S231 PolarHBondContact O-N 3.46Å; S231-H233 PolarHBondContact O-N 3.32Å; S231-H233 VanDerWaalsContact O-N 3.09Å
232H46.4Very low39.1Very low184 Ų184127.4 Ų127.485%0.85281%0.806SS**  trans-64.6105.8173.7-75.4-117.6000111.5
233H40.2Very low38.8Very low181 Ų181124.5 Ų124.584%0.83881%0.806SS**  trans-131.4125.7150.5-7076.2000106.1S231S231-H233 PolarHBondContact O-N 3.32Å; S231-H233 VanDerWaalsContact O-N 3.09Å
234G34.6Very low38.5Very low74 Ų74130.3 Ų130.376%0.76382%0.815SS**  cis95.178.927.500000107.1
235G38.7Very low37.6Very low84 Ų84128.7 Ų128.787%0.86681%0.81SS**  trans-86.9150.1-160.900000114.9
236S34.4Very low37.4Very low119 Ų119133.7 Ų133.783%0.83282%0.821SS**  trans-144.7117.3162.656.60000108.7
237G36.1Very low37.6Very low71 Ų71132.3 Ų132.373%0.73281%0.809SS**  trans-80.6145.1178.300000112.2K239G237-K239 PolarHBondContact O-N 3.37Å; G237-K239 VanDerWaalsContact O-N 3.17Å
238P36.2Very low37Very low136 Ų136131.3 Ų131.388%0.88381%0.807SS**  trans-73.3106.2173.930-32.6000110
239K32Very low36.9Very low202 Ų202127.3 Ų127.388%0.87880%0.803SS**  trans-79.7139.4172-162.1-179.7-176.8-174.20109.7G237G237-K239 PolarHBondContact O-N 3.37Å; G237-K239 VanDerWaalsContact O-N 3.17Å
240L39.6Very low36.9Very low155 Ų155125.8 Ų125.881%0.81280%0.802SS**  trans-58.2147.2176.6-63170.5000111.6G242L240-G242 PolarHBondContact O-N 3.5Å; L240-G242 VanDerWaalsContact O-N 3.13Å
241P38.2Very low36.6Very low133 Ų133128.3 Ų128.386%0.86481%0.808SS**  trans-68.1109.1173.728.6-33.4000109.9
242G31.3Very low36.6Very low77 Ų77129.1 Ų129.179%0.79482%0.82SS**  trans-86.7127.317500000111.3L240L240-G242 PolarHBondContact O-N 3.5Å; L240-G242 VanDerWaalsContact O-N 3.13Å
243A33.3Very low35.9Very low100 Ų100124.2 Ų124.283%0.82682%0.819SS**  trans-85.7132.2164.600000110.2
244E32.1Very low35.6Very low187 Ų187120.8 Ų120.887%0.87482%0.815SS**  trans31.4110.3150.6-165.7167.2-13400120.4
245A31.6Very low35.7Very low100 Ų100123.9 Ų123.983%0.82682%0.819SS**  trans-154.3150.8146.700000110.2
246L33.9Very low35.6Very low166 Ų166124.5 Ų124.587%0.86982%0.816SS**  trans-94.1165.6-172.1-74169.9000113.5
247P51.1Low35.6Very low95 Ų95125.7 Ų125.762%0.61781%0.813SS**  trans-99.5-170.2-16138.7-35.9000115.7
248H33.8Very low35.7Very low174 Ų174129.2 Ų129.281%0.80681%0.814SS**  trans101.7165.2170.8-50.2-62.8000115.3
249P44.3Very low35.5Very low127 Ų127129.8 Ų129.883%0.82581%0.805SS**  -140-173.5-103.733.6-8.5000115.4
250G29.9Very low35.5Very low65 Ų65127.4 Ų127.467%0.6780%0.797SS**  trans148.2128.914700000120.4
251L37.7Very low35.1Very low178 Ų178128.4 Ų128.493%0.93280%0.795SS**  trans74.1143.7135.5-68.2162.1000123.1
252A33.9Very low35.3Very low104 Ų104126.3 Ų126.386%0.8678%0.781SS**  trans64.9133.9165.500000119.6
253G30.9Very low35.6Very low80 Ų80132.5 Ų132.583%0.82579%0.787SS**  cis140117-19.900000116.8
254S33.7Very low35.5Very low109 Ų109131.2 Ų131.276%0.76278%0.783SS**  trans-170140.1158.6179.60000109.5
255V37.2Very low36.1Very low140 Ų140128.3 Ų128.385%0.84878%0.781SS**  cis108.654.93.9-39.40000120.6
256A37.3Very low36.1Very low96 Ų96134.7 Ų134.779%0.79379%0.785SS**  trans-151.6103.4152.400000108.8
257D33.5Very low36.6Very low145 Ų145132.8 Ų132.878%0.77579%0.786SS**  76.9134.166.6-160.477.2000114.6
258L38.5Very low35.9Very low144 Ų144131.1 Ų131.175%0.75479%0.785SS**  174.8100.4-57.8174.695.2000108.8
259Q31.9Very low36.1Very low149 Ų149133.6 Ų133.670%0.69679%0.794SS**  trans-153.1138.3173.7-56.4-66.5-36.600109.4
260Q31.2Very low35.8Very low151 Ų151131 Ų13171%0.70679%0.791SS**  cis-145.6146.9-22.6-86.1-14535.500107.7
261K32.2Very low36Very low176 Ų176134.1 Ų134.177%0.76580%0.802SS**  60.9136.584.6-12898.8175.2-170.20114.2
262P42.4Very low36Very low90 Ų90129.6 Ų129.658%0.58479%0.79SS**  cis-137.8153.76.243.8-26.9000118.4
263F36.7Very low36.1Very low206 Ų206131.1 Ų131.190%0.90479%0.789SS**  trans60.6142.8163.9-40.9-57.5000117.9
264G31.8Very low36.3Very low73 Ų73134 Ų13475%0.75379%0.785SS**  cis145.2151.2000000109.7
265P45.2Very low36.6Very low127 Ų127136.6 Ų136.683%0.82579%0.79SS**  cis-127.6-172.47.944.1-28.3000115.7
266Y30.2Very low37.1Very low233 Ų233135.4 Ų135.491%0.91479%0.785SS**  trans-16.8123.4170.1-89.4-106.1000120.2
267S44.8Very low37.1Very low127 Ų127134 Ų13489%0.88878%0.78SS**  -161.6167.8102-160.90000110.7
268G36.4Very low37.6Very low59 Ų59136 Ų13661%0.60879%0.79SS**  trans-98.7144.2-160.200000117.9
269F38.7Very low37.7Very low227 Ų227136 Ų136100%0.99679%0.791SS**  trans41.8122.3151.4-73.6-87.9000121.4
270G38.8Very low38.4Very low73 Ų73137.6 Ų137.675%0.75380%0.803SS**  trans134.597.1154.700000113.8
271S33.6Very low38.6Very low129 Ų129133.3 Ų133.390%0.90280%0.8SS**  trans-70.6132174.1-172.30000110.7
272A36.9Very low38.8Very low83 Ų83128.9 Ų128.969%0.68680%0.803SS**  trans-126.7103.8-174.500000112.4
273V37Very low38.9Very low136 Ų136130.4 Ų130.482%0.82482%0.817SS**  trans-138.485.9157.4-77.80000105.9
274N35.4Very low39.4Very low140 Ų140129.1 Ų129.175%0.74982%0.815SS**  59.780.261.5-153.4-25000112
275L38.8Very low40Very low164 Ų164132.9 Ų132.986%0.85982%0.823SS**  trans-94.7115.1159.6-76.4162.2000107.4
276P47.8Very low39.6Very low115 Ų115130.3 Ų130.375%0.74782%0.82SS**  trans-63.6147.315530.5-32.8000107.9
277G36.8Very low39.7Very low68 Ų68122.9 Ų122.970%0.70181%0.814SS**  cis125.4103.917.600000106.4D279G277-D279 PolarHBondContact O-N 3.39Å
278L45Very low39.5Very low187 Ų187122.4 Ų122.498%0.97982%0.818SS**  trans-66.7120.4-175.3-72159.4000110.4
279D40.5Very low39.3Very low143 Ų143123.3 Ų123.377%0.76583%0.827SS**  trans-108.1142.915388.4-89.6000109.8G277G277-D279 PolarHBondContact O-N 3.39Å
280L45.4Very low39.6Very low182 Ų182117.7 Ų117.795%0.95382%0.823SS**  trans-125.384.5-177.8-179.372.6000107.1
281G36.4Very low39.5Very low62 Ų62123.4 Ų123.464%0.63983%0.832SS**  trans-129.4117.7-166.200000115.7
282G35.6Very low40.2Very low82 Ų82127.1 Ų127.185%0.84583%0.832SS**  trans70.189.3142.200000119.1
283S44.4Very low40.3Very low123 Ų123130.5 Ų130.586%0.8684%0.839SS**  trans-73.9119.9153.31760000110.3
284M48.9Very low40.6Very low178 Ų178129.3 Ų129.388%0.87783%0.834SS**  trans168.2150.2135.458.4-174.6176.600113.3
285V44Very low41Very low152 Ų152127.4 Ų127.492%0.92184%0.838SS**  trans112.7144.5162.693.60000116.3
286G35.4Very low41.2Very low73 Ų73123.2 Ų123.275%0.75383%0.827SS**  trans91.8101.2165.700000115
287G33.7Very low41Very low77 Ų77123.9 Ų123.979%0.79483%0.831SS**  trans-97.8177.5174.700000114
288A39.3Very low41.4Very low117 Ų117127.9 Ų127.997%0.96783%0.831SS**  trans66.4131.9172.300000117.4
289G33.4Very low41.5Very low78 Ų78123 Ų12380%0.80481%0.813SS**  trans137.2103.8170.500000113
290A43.6Very low41.8Very low110 Ų110126.4 Ų126.491%0.90982%0.815SS**  trans-64.2134.4-178.400000113.3
291M37.8Very low41.8Very low192 Ų192123.7 Ų123.795%0.94680%0.796SS**  trans-132.7148.1147.367.8179.6-176.100110.2
292K48.5Very low42.3Very low208 Ų208125.2 Ų125.290%0.90479%0.785SS**  trans-115113.8-167.1169.7-165.5172.4-171.90108.8
293D38.2Very low42.7Very low153 Ų153129.9 Ų129.982%0.81878%0.777SS**  trans-145.7170.8175.4-129.28.2000110.2
294P43.1Very low43.3Very low111 Ų111129.6 Ų129.672%0.72176%0.764SS**  trans-106.3-175.7-133.12.622.8000113.6A296P294-A296 PolarHBondContact O-N 3.17Å
295A43.5Very low43.5Very low101 Ų101128.2 Ų128.284%0.83576%0.757SS**  trans-48.8106.3-176.500000114.2
296A43.8Very low43.8Very low75 Ų75126 Ų12662%0.6274%0.736SS**  trans-58.8140.1160.400000109.7P294 Q298P294-A296 PolarHBondContact O-N 3.17Å; A296-Q298 PolarHBondContact O-N 3.13Å
297P43.6Very low44.5Very low130 Ų130126.1 Ų126.184%0.84474%0.738SS**  trans-67.9104.9-174.326.5-34.3000111.1S299P297-S299 PolarHBondContact O-N 3.32Å
298Q45.6Very low44.6Very low151 Ų151127.6 Ų127.671%0.70674%0.736SS**  trans-61108.2172.3-71.6-67.1-2600109.2A296 R300A296-Q298 PolarHBondContact O-N 3.13Å; Q298-R300 PolarHBondContact O-N 2.92Å
299S47Very low44.4Very low84 Ų84127.8 Ų127.859%0.58773%0.729SS**  trans-58.7130.6-174.9177.50000111.3P297 F301 K302P297-S299 PolarHBondContact O-N 3.32Å; S299-F301 PolarHBondContact O-N 3.37Å; S299-K302 PolarHBondContact O-N 3.16Å; S299-K302 VanDerWaalsContact O-N 3.12Å
300R47.5Very low44.2Very low215 Ų215129.4 Ų129.481%0.81173%0.728SS**THydrogen-bonded Turntrans-72.435.4179.4-132.6-146.8-58.7-115.40.3113.3Q298 W303Q298-R300 PolarHBondContact O-N 2.92Å; R300-W303 VanDerWaalsContact C-CD1 3.42Å; R300-W303 PolarHBondContact O-NE1 3.11Å
301F45.5Very low44Very low126 Ų126129.7 Ų129.755%0.55372%0.72SS**THydrogen-bonded Turntrans-115.6-28.4166.2-162.1-100.2000111.9S299 W303 M304 M305S299-F301 PolarHBondContact O-N 3.37Å; F301-W303 PolarHBondContact O-N 3.04Å; F301-M304 HydrophobicContact CD2-CE 3.9Å; F301-M304 HydrophobicContact CE2-CE 4.01Å; F301-M304 PolarHBondContact O-N 3.11Å; F301-M304 VanDerWaalsContact O-N 3.16Å; F301-M305 HydrophobicContact CD1-CG 4.16Å; F301-M305 HydrophobicContact CE1-CG 3.87Å; F301-M305 HydrophobicContact CE1-SD 4.38Å
302K45.3Very low43.7Very low94 Ų94127.8 Ų127.841%0.40971%0.714SS.*G310 helixtrans-70.5-35.5-170.2-158.7171.763.8140.10113.8S299 M304 M305 E306S299-K302 PolarHBondContact O-N 3.16Å; S299-K302 VanDerWaalsContact O-N 3.12Å; K302-M304 PolarHBondContact O-N 3.37Å; K302-M305 PolarHBondContact O-N 3.39Å; K302-E306 WeakPolarHBondContact CD-OE2 3.33Å; K302-E306 WeakPolarHBondContact CE-OE2 3.35Å; K302-E306 HydrophobicContact CG-CB 4.19Å; K302-E306 WeakPolarHBondContact CG-OE2 3.18Å; K302-E306 IonicContact NZ-OE2 2.69Å; K302-E306 PolarHBondContact NZ-OE2 3.13Å; K302-E306 WeakPolarHBondContact O-CB 3.39Å; K302-E306 PolarHBondContact O-N 3.12Å
303W44.1Very low42.8Very low180 Ų180122.3 Ų122.368%0.68271%0.708SS**G310 helixtrans-58.5-11.9171.468.9-65000115.2R300 F301R300-W303 VanDerWaalsContact C-CD1 3.42Å; R300-W303 PolarHBondContact O-NE1 3.11Å; F301-W303 PolarHBondContact O-N 3.04Å
304M56.7Low42.5Very low117 Ų117120.2 Ų120.258%0.57671%0.705SS**G310 helixtrans-101-9.6173.4-57.9-167.6-55.200113.7F301 K302F301-M304 HydrophobicContact CD2-CE 3.9Å; F301-M304 HydrophobicContact CE2-CE 4.01Å; F301-M304 PolarHBondContact O-N 3.11Å; F301-M304 VanDerWaalsContact O-N 3.16Å; K302-M304 PolarHBondContact O-N 3.37Å
305M54.2Low41.8Very low148 Ų148120.4 Ų120.473%0.72971%0.709SS**THydrogen-bonded Turntrans-112.2-29.1-179.5-66.6-75.6-86.400112.2F301 K302 G307F301-M305 HydrophobicContact CD1-CG 4.16Å; F301-M305 HydrophobicContact CE1-CG 3.87Å; F301-M305 HydrophobicContact CE1-SD 4.38Å; K302-M305 PolarHBondContact O-N 3.39Å; M305-G307 PolarHBondContact O-N 3.12Å
306E49.3Very low41.9Very low106 Ų106120.9 Ų120.950%0.49570%0.703SS.*  trans-100.264.8-174-165.6164-158.700110.8K302 S308K302-E306 WeakPolarHBondContact CD-OE2 3.33Å; K302-E306 WeakPolarHBondContact CE-OE2 3.35Å; K302-E306 HydrophobicContact CG-CB 4.19Å; K302-E306 WeakPolarHBondContact CG-OE2 3.18Å; K302-E306 IonicContact NZ-OE2 2.69Å; K302-E306 PolarHBondContact NZ-OE2 3.13Å; K302-E306 WeakPolarHBondContact O-CB 3.39Å; K302-E306 PolarHBondContact O-N 3.12Å; E306-S308 PolarHBondContact O-N 3.29Å; E306-S308 PolarHBondContact O-OG 3.26Å
307G50.3Low41.2Very low76 Ų76125.7 Ų125.778%0.78471%0.713SS**  trans-60.498.2170.400000110.2M305 C309M305-G307 PolarHBondContact O-N 3.12Å; G307-C309 PolarHBondContact O-N 2.96Å; G307-C309 VanDerWaalsContact O-N 3.13Å
308S37Very low40.6Very low107 Ų107127 Ų12775%0.74871%0.713SS**  trans-75.4105.7-158.2-43.50000113.1E306E306-S308 PolarHBondContact O-N 3.29Å; E306-S308 PolarHBondContact O-OG 3.26Å
309C35.2Very low39.9Very low122 Ų122123.9 Ų123.982%0.82471%0.713SS**PPolyproline II helixtrans-62.4142.4149.7-72.40000108.8G307G307-C309 PolarHBondContact O-N 2.96Å; G307-C309 VanDerWaalsContact O-N 3.13Å
310S27.8Very low39.6Very low112 Ų112128.5 Ų128.578%0.78372%0.723SS**PPolyproline II helixtrans-71.9130.2-177.4-166.70000111.2
311P40.2Very low39.3Very low116 Ų116125.9 Ų125.975%0.75372%0.72SS**PPolyproline II helixtrans-74.9125.7160.631-30.2000108.8
312D30.4Very low38.7Very low152 Ų152128.2 Ų128.281%0.81373%0.73SS**PPolyproline II helixtrans-78.2142.6169.1-17417.4000110
313A31.3Very low38.3Very low93 Ų93131.5 Ų131.577%0.76975%0.752SS**  trans-141.487.5-179.500000108.6
314S32Very low37.8Very low109 Ų109126.5 Ų126.576%0.76276%0.756SS**PPolyproline II helixtrans-68.5138.6-172.750.60000113.4
315S26.8Very low37.4Very low115 Ų115126.8 Ų126.880%0.80477%0.767SS**PPolyproline II helixtrans-93.1139.3170.9-173.90000110
316P45.9Very low36.6Very low111 Ų111128 Ų12872%0.72177%0.774SS**PPolyproline II helixtrans-87161.4-173.334.9-37.1000114.5
317E29.2Very low35.9Very low175 Ų175128.4 Ų128.482%0.81878%0.784SS**  trans71.8100.8144.5-159.9165.7108.300120.4
318N30.4Very low35.4Very low157 Ų157130.8 Ų130.884%0.8479%0.786SS**  -155.6169107.3-119.2-85000114.4
319A31Very low35.3Very low87 Ų87133.1 Ų133.172%0.71979%0.788SS**  trans-92.1159.8-157.400000116.6
320F42.2Very low35.5Very low181 Ų181135.7 Ų135.779%0.79479%0.785SS**  trans-68.4160.3166-63.2-99.9000111.6
321H39.5Very low36Very low160 Ų160138.4 Ų138.474%0.74179%0.788SS**  163.6128.5109.8-81.1-46.8000116.2
322K34.9Very low35.6Very low174 Ų174139 Ų13976%0.75779%0.792SS**  trans72.7150.3139.6-66.2176179.3179.10121.3
323N35.3Very low35.8Very low164 Ų164135 Ų13588%0.87779%0.786SS**  trans81129165.4-48.4-37.8000117.8
324G33.4Very low35.7Very low74 Ų74135.5 Ų135.576%0.76379%0.79SS**  trans-137.9-159.4159.800000108
325P48.6Very low36Very low124 Ų124134.7 Ų134.781%0.80578%0.784SS**  cis-117.4168.6-2.740.7-29.8000113.2
326I37.5Very low36.2Very low172 Ų172137.3 Ų137.388%0.88278%0.784SS**  trans-165.7157.1151-103.4149.2000109.4
327T34.2Very low35.4Very low116 Ų116140.6 Ų140.671%0.71279%0.789SS**  trans-74.2153.5-168.846.70000115.4
328P40.5Very low35.8Very low125 Ų125136.9 Ų136.981%0.81278%0.782SS**  trans-81134-173.832.3-35.4000113.7
329I36Very low35.9Very low157 Ų157138.5 Ų138.581%0.80579%0.785SS**  trans-129.999164.9-60.6-176.6000110.2
330K37.8Very low36.2Very low176 Ų176142.3 Ų142.377%0.76579%0.785SS**  trans39.594.7141.1-173.2-170.3175.8-1780117.9
331M38.5Very low36.2Very low169 Ų169139.1 Ų139.183%0.83378%0.777SS**  -163.499.9129-83.7-43.9-88.900110.3G333M331-G333 PolarHBondContact O-N 3.21Å
332P32.7Very low36.6Very low129 Ų129139.2 Ų139.284%0.83878%0.782SS**  trans-73.8107.3167.8-14.330.5000110.2
333G33.6Very low37.1Very low67 Ų67139.3 Ų139.369%0.69179%0.789SS**  trans-96.4175.5162.700000111.4M331M331-G333 PolarHBondContact O-N 3.21Å
334A29Very low37.4Very low103 Ų103137.6 Ų137.685%0.85179%0.785SS**  trans52.4112.2164.400000118.2
335S38.8Very low37.4Very low92 Ų92137.5 Ų137.564%0.64378%0.784SS**  trans-45.6143164.550.10000115.1
336H31.1Very low37Very low171 Ų171139.8 Ų139.879%0.79279%0.789SS**  -175.9155110.3-84.5135.3000113.5
337H29.2Very low37Very low179 Ų179134.7 Ų134.783%0.82978%0.779SS**  trans67107.9163.2-81.676000121.3
338S37.9Very low37.8Very low97 Ų97134.4 Ų134.468%0.67879%0.789SS**  trans46.8103.8134.4-150.30000120.3
339Q32.1Very low37.7Very low191 Ų191133.9 Ų133.989%0.89379%0.788SS**  trans-121.5122.7142.4-176.7176.3-5.400107.7
340F37.4Very low38.3Very low167 Ų167135.1 Ų135.173%0.73280%0.796SS**  trans-104.2165.9179.449.3-97.3000111.3
341D43.2Very low38.1Very low114 Ų114128.9 Ų128.961%0.6178%0.782SS**  trans55106.2164.8-164.416.5000118.2
342L47.4Very low37.8Very low163 Ų163133.1 Ų133.185%0.85379%0.789SS**SBendtrans-167.272.8141.5-109.8165.6000109.2
343L45.7Very low37.9Very low175 Ų175135.9 Ų135.992%0.91679%0.79SS**  trans175.775156.1-99.1164.9000110.1G345L343-G345 PolarHBondContact O-N 3.26Å
344V40.6Very low38.4Very low129 Ų129144 Ų14478%0.78280%0.8SS**  trans-68.6121.9170.3171.10000109.9
345G34.2Very low38.5Very low72 Ų72145.5 Ų145.574%0.74280%0.799SS**  trans-131.6115.5167.500000108.9L343L343-G345 PolarHBondContact O-N 3.26Å
346D40.3Very low38.8Very low171 Ų171147 Ų14791%0.91481%0.806SS**  trans-77.2152.8-172-172.722.7000112.9
347G36.6Very low39Very low65 Ų65142.5 Ų142.567%0.6781%0.806SS**  trans133.786.3176.500000114.5
348A51Low39.2Very low111 Ų111141.9 Ų141.992%0.91781%0.809SS**  trans-79.5125.517200000112.1
349S39Very low39.5Very low114 Ų114145.6 Ų145.680%0.79781%0.813SS**  trans-152.2109.5166650000112G351S349-G351 PolarHBondContact O-N 3.22Å
350D47.9Very low39.9Very low182 Ų182145 Ų14597%0.97381%0.812SS**  trans-62.7125166.9-81.7-68.1000110.5
351G33.2Very low39.9Very low45 Ų45142 Ų14246%0.46482%0.818SS.*  trans-155.1113.7-17800000112.6S349 H353S349-G351 PolarHBondContact O-N 3.22Å; G351-H353 PolarHBondContact O-N 3.32Å
352W32.4Very low39.3Very low259 Ų259141.3 Ų141.398%0.98183%0.828SS**  trans-65.799.3171.1-77.479.8000110R354W352-R354 PolarHBondContact O-N 3.35Å
353H34.9Very low38.8Very low186 Ų186143.2 Ų143.286%0.86183%0.83SS**  trans-63.3100.5-178.4-60.9-71.3000111.8G351 T355G351-H353 PolarHBondContact O-N 3.32Å; H353-T355 PolarHBondContact O-N 2.99Å
354R44.7Very low38.6Very low238 Ų238140.7 Ų140.790%0.89882%0.824SS**  trans-71.3114.1162.3-71-176.4-179.9-112.63.7108.8W352W352-R354 PolarHBondContact O-N 3.35Å
355T31Very low38.2Very low134 Ų134140.4 Ų140.482%0.82283%0.828SS**  trans-61.3127.1172.2-46.30000110.3H353 G357H353-T355 PolarHBondContact O-N 2.99Å; T355-G357 PolarHBondContact O-N 3.1Å
356P44.5Very low38.5Very low123 Ų123142.5 Ų142.580%0.79983%0.831SS**  trans-79.7105.3-17630.2-33.7000111.8
357G36Very low38.1Very low77 Ų77138.3 Ų138.379%0.79482%0.82SS**  trans67.2111.4156.800000117.4T355T355-G357 PolarHBondContact O-N 3.1Å
358N33Very low38Very low166 Ų166140.7 Ų140.789%0.88882%0.824SS**  trans-137.3156.9150.9-155.712.6000110.8
359K44.2Very low37.5Very low176 Ų176140.7 Ų140.777%0.76582%0.817SS**  trans-115.8157.1-170.4-52.9-177.5-176.7-179.50111.1
360M40.4Very low37.8Very low177 Ų177144.7 Ų144.787%0.87282%0.815SS**SBendtrans66.1121.4176.7-7173.8175.300117.6
361A38.2Very low38Very low105 Ų105138.8 Ų138.887%0.86879%0.786SS**  trans33.5102.5142.400000121
362A30.7Very low39.2Very low99 Ų99141 Ų14182%0.81879%0.793SS**  -159.2133.3125.700000111.2
363K36.7Very low40.5Very low203 Ų203132.1 Ų132.188%0.88376%0.762SS**  trans-82.1141.7151.7-68.9-175.6178.7-178.80106.1
364P40.3Very low41.5Very low123 Ų123126.2 Ų126.280%0.79973%0.734SS**  -149.9-16978.942.4-24.8000115.2
365S32.5Very low42.4Very low123 Ų123120.4 Ų120.486%0.8672%0.717SS**  trans88.7131.3169.9-150.90000116.6
366S41.3Very low43.4Very low116 Ų116120.6 Ų120.681%0.81172%0.72SS**  trans-89.4118.4179.5-177.40000109.9
367A32.5Very low44.2Very low82 Ų82118.7 Ų118.768%0.67872%0.724SS**  trans-117.6135.5156.900000107.3S369A367-S369 PolarHBondContact O-N 3.13Å
368P33.8Very low45.7Very low116 Ų116118 Ų11875%0.75370%0.703SS**  trans-73.679176.731.1-34.4000109.8W370P368-W370 PolarHBondContact O-N 3.38Å
369S39.9Very low47.2Very low111 Ų111115.4 Ų115.478%0.77670%0.696SS**  trans-66113.1166-174.10000107.9A367A367-S369 PolarHBondContact O-N 3.13Å
370W44.9Very low48.3Very low197 Ų197115.9 Ų115.975%0.74669%0.693SS**  trans-57.9146.1169.9-68.488.4000110.1P368P368-W370 PolarHBondContact O-N 3.38Å
371P52.3Low49.4Very low58 Ų58113.1 Ų113.138%0.37768%0.676SS.*  trans-52.5136.3168-26.134.6000110.6E373 F374P371-E373 WeakPolarHBondContact CB-OE2 3.37Å; P371-E373 PolarHBondContact O-N 3.12Å; P371-F374 HydrophobicContact CB-CD2 3.81Å; P371-F374 HydrophobicContact CB-CE2 4.02Å; P371-F374 HydrophobicContact CG-CD2 3.79Å; P371-F374 HydrophobicContact CG-CE2 3.9Å; P371-F374 PolarHBondContact O-N 3.36Å
372P58.7Low50.4Low92 Ų92111 Ų11160%0.59766%0.664SS**THydrogen-bonded Turntrans-55.3-18.5-178.2-26.635.6000114.5Q375P372-Q375 PolarHBondContact O-NE2 2.95Å
373E59.3Low51.6Low72 Ų72111.9 Ų111.934%0.33665%0.654SS.*THydrogen-bonded Turntrans-69.9-31.1180-61.864.3-134.700113.1P371 Q375 K381P371-E373 WeakPolarHBondContact CB-OE2 3.37Å; P371-E373 PolarHBondContact O-N 3.12Å; E373-Q375 PolarHBondContact O-N 3.3Å; E373-K381 PolarHBondContact O-NZ 2.79Å
374F56.9Low52.4Low63 Ų63109.6 Ų109.628%0.27665%0.651SS.*  trans-98.755.3-168.1-56.8-40.7000113.2P371 W380P371-F374 HydrophobicContact CB-CD2 3.81Å; P371-F374 HydrophobicContact CB-CE2 4.02Å; P371-F374 HydrophobicContact CG-CD2 3.79Å; P371-F374 HydrophobicContact CG-CE2 3.9Å; P371-F374 PolarHBondContact O-N 3.36Å; F374-W380 AromaticContact CD1-CD2 3.88Å; F374-W380 HydrophobicContact CD1-CD2 3.88Å; F374-W380 AromaticContact CD1-CE2 3.41Å; F374-W380 VanDerWaalsContact CD1-CE2 3.41Å; F374-W380 HydrophobicContact CD1-CE3 4.27Å; F374-W380 HydrophobicContact CD1-CG 4.5Å; F374-W380 AromaticContact CD1-CH2 3.85Å; F374-W380 HydrophobicContact CD1-CH2 3.85Å; F374-W380 AromaticContact CD1-CZ2 3.41Å; F374-W380 HydrophobicContact CD1-CZ2 3.41Å; F374-W380 VanDerWaalsContact CD1-CZ2 3.41Å; F374-W380 HydrophobicContact CD1-CZ3 4.25Å; F374-W380 AromaticContact CD1-NE1 3.79Å; F374-W380 AromaticContact CE1-CD2 3.64Å; F374-W380 HydrophobicContact CE1-CD2 3.64Å; F374-W380 AromaticContact CE1-CE2 3.61Å; F374-W380 AromaticContact CE1-CE3 3.59Å; F374-W380 HydrophobicContact CE1-CE3 3.59Å; F374-W380 HydrophobicContact CE1-CG 4.45Å; F374-W380 AromaticContact CE1-CH2 3.52Å; F374-W380 HydrophobicContact CE1-CH2 3.52Å; F374-W380 AromaticContact CE1-CZ2 3.57Å; F374-W380 HydrophobicContact CE1-CZ2 3.57Å; F374-W380 AromaticContact CE1-CZ3 3.52Å; F374-W380 HydrophobicContact CE1-CZ3 3.52Å; F374-W380 HydrophobicContact CG-CZ2 4.14Å; F374-W380 HydrophobicContact CZ-CE3 4.41Å; F374-W380 AromaticContact CZ-CH2 3.98Å; F374-W380 HydrophobicContact CZ-CH2 3.98Å; F374-W380 HydrophobicContact CZ-CZ2 4.39Å; F374-W380 AromaticContact CZ-CZ3 3.99Å; F374-W380 HydrophobicContact CZ-CZ3 3.99Å
375Q62.5Low52.8Low116 Ų116115.5 Ų115.554%0.54266%0.658SS.*  trans-86.2129.3172.6-66.4174.944.300110.4P372 E373 G377 V378P372-Q375 PolarHBondContact O-NE2 2.95Å; E373-Q375 PolarHBondContact O-N 3.3Å; Q375-G377 PolarHBondContact O-N 3.31Å; Q375-V378 HydrophobicContact CB-CB 4.38Å; Q375-V378 HydrophobicContact CB-CG2 3.84Å; Q375-V378 PolarHBondContact O-N 2.99Å; Q375-V378 VanDerWaalsContact O-N 3.11Å
376P53.3Low53.6Low137 Ų137114.6 Ų114.689%0.8965%0.647SS**THydrogen-bonded Turntrans-55.6129.2177.8-26.735.2000112.3
377G60.4Low53.9Low84 Ų84114.1 Ų114.187%0.86664%0.635SS**THydrogen-bonded Turntrans88.5-7.8-178.500000115.5Q375Q375-G377 PolarHBondContact O-N 3.31Å
378V67.6Low55Low61 Ų61115.2 Ų115.237%0.3764%0.636SS.*SBendtrans-89.6122.8172.3-178.30000109.6Q375 W380Q375-V378 HydrophobicContact CB-CB 4.38Å; Q375-V378 HydrophobicContact CB-CG2 3.84Å; Q375-V378 PolarHBondContact O-N 2.99Å; Q375-V378 VanDerWaalsContact O-N 3.11Å; V378-W380 PolarHBondContact O-N 3.22Å
379P64.1Low56Low112 Ų112118.5 Ų118.573%0.72764%0.641SS**  trans-58.5137.8172.9-24.735000111.5K381P379-K381 PolarHBondContact O-N 2.93Å
380W67.3Low56.8Low187 Ų187117.8 Ų117.871%0.70864%0.636SS**  trans-72.489.2-179.3-72.327.7000110.4F374 V378 G382F374-W380 AromaticContact CD1-CD2 3.88Å; F374-W380 HydrophobicContact CD1-CD2 3.88Å; F374-W380 AromaticContact CD1-CE2 3.41Å; F374-W380 VanDerWaalsContact CD1-CE2 3.41Å; F374-W380 HydrophobicContact CD1-CE3 4.27Å; F374-W380 HydrophobicContact CD1-CG 4.5Å; F374-W380 AromaticContact CD1-CH2 3.85Å; F374-W380 HydrophobicContact CD1-CH2 3.85Å; F374-W380 AromaticContact CD1-CZ2 3.41Å; F374-W380 HydrophobicContact CD1-CZ2 3.41Å; F374-W380 VanDerWaalsContact CD1-CZ2 3.41Å; F374-W380 HydrophobicContact CD1-CZ3 4.25Å; F374-W380 AromaticContact CD1-NE1 3.79Å; F374-W380 AromaticContact CE1-CD2 3.64Å; F374-W380 HydrophobicContact CE1-CD2 3.64Å; F374-W380 AromaticContact CE1-CE2 3.61Å; F374-W380 AromaticContact CE1-CE3 3.59Å; F374-W380 HydrophobicContact CE1-CE3 3.59Å; F374-W380 HydrophobicContact CE1-CG 4.45Å; F374-W380 AromaticContact CE1-CH2 3.52Å; F374-W380 HydrophobicContact CE1-CH2 3.52Å; F374-W380 AromaticContact CE1-CZ2 3.57Å; F374-W380 HydrophobicContact CE1-CZ2 3.57Å; F374-W380 AromaticContact CE1-CZ3 3.52Å; F374-W380 HydrophobicContact CE1-CZ3 3.52Å; F374-W380 HydrophobicContact CG-CZ2 4.14Å; F374-W380 HydrophobicContact CZ-CE3 4.41Å; F374-W380 AromaticContact CZ-CH2 3.98Å; F374-W380 HydrophobicContact CZ-CH2 3.98Å; F374-W380 HydrophobicContact CZ-CZ2 4.39Å; F374-W380 AromaticContact CZ-CZ3 3.99Å; F374-W380 HydrophobicContact CZ-CZ3 3.99Å; V378-W380 PolarHBondContact O-N 3.22Å; W380-G382 PolarHBondContact O-N 3.24Å
381K65.3Low57.2Low118 Ų118111.7 Ų111.751%0.51362%0.618SS.*PPolyproline II helixtrans-57.8125150.975-61.5-177.8-176.70107.6E373 P379E373-K381 PolarHBondContact O-NZ 2.79Å; P379-K381 PolarHBondContact O-N 2.93Å
382G59.2Low57.5Low60 Ų60114.8 Ų114.862%0.61964%0.638SS**PPolyproline II helixtrans-62.4163.4-177.900000111.8W380 D384W380-G382 PolarHBondContact O-N 3.24Å; G382-D384 PolarHBondContact O-N 2.82Å; G382-D384 VanDerWaalsContact O-N 3.16Å
383I55.2Low57.2Low119 Ų119120 Ų12061%0.6165%0.647SS**PPolyproline II helixtrans-64117.1174.5-67.872.9000107.4V386I383-V386 HydrophobicContact CG2-CG2 3.69Å
384D52.2Low57.4Low154 Ų154122.9 Ų122.982%0.82466%0.662SS**PPolyproline II helixtrans-59.3139.3170.3-102.7-51000109.5G382 V386G382-D384 PolarHBondContact O-N 2.82Å; G382-D384 VanDerWaalsContact O-N 3.16Å; D384-V386 PolarHBondContact O-N 3.07Å
385R50Low56.8Low248 Ų248125.7 Ų125.794%0.93669%0.685SS**  trans-40.8101.9-166.4-73.5178.7163116-6.9113.1D387R385-D387 PolarHBondContact O-N 2.64Å
386V48.5Very low56.2Low104 Ų104126.7 Ų126.763%0.6370%0.701SS**  trans-66.1127.9166.4172.30000107.9I383 D384I383-V386 HydrophobicContact CG2-CG2 3.69Å; D384-V386 PolarHBondContact O-N 3.07Å
387D47.2Very low56.1Low105 Ų105123.2 Ų123.256%0.56169%0.69SS**  trans-64.4118.5175.2-173.83.9000109.6R385 E389 S390R385-D387 PolarHBondContact O-N 2.64Å; D387-E389 PolarHBondContact O-N 3.29Å; D387-E389 VanDerWaalsContact O-N 3.08Å; D387-S390 PolarHBondContact O-N 2.79Å; D387-S390 VanDerWaalsContact O-N 3.11Å
388P55.9Low55.4Low106 Ų106125 Ų12569%0.68869%0.69SS**G310 helixtrans-63.8-16-171.124.4-35.4000114.4S390P388-S390 VanDerWaalsContact C-N 3.26Å; P388-S390 PolarHBondContact O-N 3.02Å
389E55.8Low54.3Low184 Ų184130.6 Ų130.686%0.8671%0.714SS**G310 helixtrans-77.2-8.4176.8-57.8-147.5118.800113.7D387D387-E389 PolarHBondContact O-N 3.29Å; D387-E389 VanDerWaalsContact O-N 3.08Å
390S56.3Low53.5Low97 Ų97135.1 Ų135.168%0.67873%0.728SS**G310 helixtrans-90.3-7.4-173.7-162.80000115.9D387 P388D387-S390 PolarHBondContact O-N 2.79Å; D387-S390 VanDerWaalsContact O-N 3.11Å; P388-S390 VanDerWaalsContact C-N 3.26Å; P388-S390 PolarHBondContact O-N 3.02Å
391D53.5Low52.4Low69 Ų69128.7 Ų128.737%0.36972%0.72SS.*  trans-124.3109178.6-173.4-9.4000112.1Y393 M394D391-Y393 PolarHBondContact O-N 2.98Å; D391-Y393 VanDerWaalsContact O-N 3.07Å; D391-Y393 PolarHBondContact OD1-N 3.13Å; D391-M394 HydrophobicContact CB-CB 4.31Å; D391-M394 HydrophobicContact CB-CG 4.02Å; D391-M394 PolarHBondContact O-N 3.28Å
392P57.8Low51.4Low123 Ų123131 Ų13180%0.79974%0.738SS**THydrogen-bonded Turntrans-71.22.2-179.731.4-36.2000114.7
393Y53.7Low50.2Low200 Ų200132.6 Ų132.678%0.78475%0.745SS**THydrogen-bonded Turntrans-113.34.6175.1-70.2-79.6000114.3D391 T395D391-Y393 PolarHBondContact O-N 2.98Å; D391-Y393 VanDerWaalsContact O-N 3.07Å; D391-Y393 PolarHBondContact OD1-N 3.13Å; Y393-T395 PolarHBondContact O-N 2.99Å
394M63.7Low49.6Very low134 Ų134133.7 Ų133.766%0.6676%0.757SS**  trans-81.194.6173.9-89.5-70.5108.800112.6D391 P396D391-M394 HydrophobicContact CB-CB 4.31Å; D391-M394 HydrophobicContact CB-CG 4.02Å; D391-M394 PolarHBondContact O-N 3.28Å; M394-P396 WeakPolarHBondContact O-CD 3.42Å
395T43.6Very low48.6Very low122 Ų122131.3 Ų131.375%0.74875%0.753SS**  trans-64.8123169.9-52.40000110.6Y393 G397Y393-T395 PolarHBondContact O-N 2.99Å; T395-G397 VanDerWaalsContact C-N 3.34Å; T395-G397 PolarHBondContact O-N 3.01Å
396P50.3Low48.4Very low136 Ų136125.6 Ų125.688%0.88375%0.747SS**SBendtrans-76.280.9-17730.8-35.5000111.6M394M394-P396 WeakPolarHBondContact O-CD 3.42Å
397G51.4Low48.2Very low64 Ų64124 Ų12466%0.6675%0.752SS**  trans-128.6-2.6-171.400000117.3T395T395-G397 VanDerWaalsContact C-N 3.34Å; T395-G397 PolarHBondContact O-N 3.01Å
398S45.4Very low47.8Very low122 Ų122127.5 Ų127.585%0.85377%0.77SS**  trans-140.768.5-173.2-72.80000114
399M44.6Very low47.4Very low179 Ų179130.1 Ų130.188%0.88278%0.778SS**  trans-15152.1160.452.1173.558.800114.4G401M399-G401 PolarHBondContact O-N 2.85Å
400M47Very low46.4Very low206 Ų206127.2 Ų127.2100%1.01577%0.768SS**  trans-69.189.6148.5-105.492.891.600107.6
401G43.9Very low46Very low53 Ų53127.4 Ų127.455%0.54677%0.77SS.*SBendtrans-161.956.6-165.700000114.6M399 A403M399-G401 PolarHBondContact O-N 2.85Å; G401-A403 PolarHBondContact O-N 2.89Å
402N44.4Very low45.8Very low166 Ų166130.4 Ų130.489%0.88878%0.782SS**  trans59.145.3156-53.681.2000117.1
403A33.7Very low45.2Very low93 Ų93132.4 Ų132.477%0.76978%0.78SS**  trans-84.1109.1163.600000110.5G401 S405G401-A403 PolarHBondContact O-N 2.89Å; A403-S405 PolarHBondContact O-N 3.02Å
404V43.1Very low44.7Very low142 Ų142130.5 Ų130.586%0.86178%0.778SS**  trans-75.1114171.11730000109.2
405S31.5Very low43.8Very low105 Ų105131.9 Ų131.973%0.73479%0.787SS**  trans-106.9136.6167.3-69.30000109.7A403 G407A403-S405 PolarHBondContact O-N 3.02Å; S405-G407 PolarHBondContact O-N 3.45Å
406P44.1Very low43.9Very low127 Ų127134.5 Ų134.583%0.82580%0.796SS**  trans-83.7121-167.731.2-34.6000113.7
407G44.5Very low44Very low71 Ų71136.3 Ų136.373%0.73279%0.792SS**  trans71.186.3143.800000118.4S405S405-G407 PolarHBondContact O-N 3.45Å
408L38.9Very low43.3Very low178 Ų178140.3 Ų140.393%0.93280%0.799SS**  trans-124.7141.6135.9-72.6177.5000108.1
409N48.2Very low43.1Very low162 Ų162141.1 Ų141.187%0.86679%0.794SS**  trans-73.8133.4170-73.7-48.1000108.4
410D34.1Very low42.8Very low122 Ų122138.8 Ų138.865%0.65279%0.79SS**  trans-129.5140.9153-141.7-43.6000110.3
411S49.4Very low42.6Very low101 Ų101136 Ų13671%0.70678%0.779SS**  trans-116.31.7-167.7-570000113.2
412E47.5Very low42.1Very low133 Ų133139 Ų13962%0.62179%0.791SS**  trans-82.5-15.8-16964.8176.4-164.700115.3Q414E412-Q414 VanDerWaalsContact C-N 3.29Å; E412-Q414 PolarHBondContact O-N 3.1Å; E412-Q414 VanDerWaalsContact O-N 3.11Å
413H46.3Very low41.3Very low164 Ų164136.8 Ų136.876%0.75978%0.784SS**THydrogen-bonded Turntrans-83.324.8-172.2-61.9-16000116.2
414Q43.5Very low41.5Very low161 Ų161138.5 Ų138.575%0.75279%0.787SS**THydrogen-bonded Turntrans-103.2-2.6176.9-73-162.795.400115.4E412E412-Q414 VanDerWaalsContact C-N 3.29Å; E412-Q414 PolarHBondContact O-N 3.1Å; E412-Q414 VanDerWaalsContact O-N 3.11Å
415L44.7Very low41.4Very low162 Ų162137.7 Ų137.785%0.84879%0.785SS**  trans-105.118.5-173.9-66.8177.3000115.4
416L45.6Very low42.1Very low178 Ų178140.7 Ų140.793%0.93279%0.792SS**  trans-103.323.6169.7-124.572.4000113.6
417Q52.1Low41.7Very low173 Ų173141.1 Ų141.181%0.80879%0.787SS**  trans-104.772.9160.7-73.3-174.110300110
418D37.5Very low41.5Very low149 Ų149143.3 Ų143.380%0.79779%0.787SS**  trans-154.6165142.9-133.5-33.3000112.9
419N39.7Very low41.6Very low138 Ų138143.2 Ų143.274%0.73879%0.786SS**  trans-98.4142.4-170.1-58.9-101.5000110.9
420T39.5Very low41.5Very low130 Ų130142.9 Ų142.980%0.79878%0.783SS**  trans-176.7130.3132.119.30000112.7
421D43.3Very low41.9Very low148 Ų148142.4 Ų142.479%0.79179%0.787SS**  trans21.2102.6148.8-54.7-64.9000121.1
422S32.3Very low41.2Very low116 Ų116142 Ų14281%0.81179%0.785SS**  trans-165.3129133.1-86.60000114.6
423T28.6Very low41.2Very low120 Ų120143 Ų14374%0.73680%0.802SS**  trans19.7122154.3570000120.3P425T423-P425 WeakPolarHBondContact O-CD 3.18Å
424P38Very low41.4Very low128 Ų128138.5 Ų138.583%0.83180%0.801SS**  trans-75.9124.3173.630.8-33.4000112.6L426P424-L426 PolarHBondContact O-N 3.33Å
425P40.6Very low41.2Very low125 Ų125134.5 Ų134.581%0.81280%0.795SS**  trans-73.9119.1167.529.7-32.1000110.3T423 N427T423-P425 WeakPolarHBondContact O-CD 3.18Å; P425-N427 PolarHBondContact O-N 3.19Å; P425-N427 VanDerWaalsContact O-N 3.13Å
426L44.9Very low41.1Very low168 Ų168137.9 Ų137.988%0.8880%0.797SS**  trans-66.3103.4-178.2-172.591.3000111.8P424P424-L426 PolarHBondContact O-N 3.33Å
427N36.3Very low41.2Very low136 Ų136135 Ų13573%0.72779%0.788SS**  trans-155.8116.9163.4-106.1-49.3000115.6P425 L429P425-N427 PolarHBondContact O-N 3.19Å; P425-N427 VanDerWaalsContact O-N 3.13Å; N427-L429 PolarHBondContact O-N 3.47Å
428T41Very low40.4Very low118 Ų118137.2 Ų137.272%0.72479%0.791SS**  trans33.973.7141.161.90000119L430T428-L430 PolarHBondContact O-N 3.48Å
429L39.6Very low40.4Very low175 Ų175135.8 Ų135.892%0.91679%0.793SS**  trans-70.6113.8153.5-73.6175.3000109.5N427N427-L429 PolarHBondContact O-N 3.47Å
430L47.4Very low40.1Very low155 Ų155133.3 Ų133.381%0.81279%0.792SS**PPolyproline II helixtrans-69.6134.5166.5-66.8169.7000109T428 S432T428-L430 PolarHBondContact O-N 3.48Å; L430-S432 PolarHBondContact O-N 3.49Å
431P41.2Very low40.1Very low112 Ų112132.2 Ų132.273%0.72779%0.789SS**PPolyproline II helixtrans-69.6130.4174.628.4-33.3000110.6
432S35.9Very low39.8Very low94 Ų94132.8 Ų132.866%0.65779%0.792SS**PPolyproline II helixtrans-59.5150.3177.1-55.70000112L430 G434L430-S432 PolarHBondContact O-N 3.49Å; S432-G434 PolarHBondContact O-N 3.24Å
433P47.1Very low39.7Very low152 Ų152132.2 Ų132.299%0.98779%0.788SS**THydrogen-bonded Turntrans-66.520.3-171.3-23.435.5000118.2
434G49.8Very low40.4Very low71 Ų71135 Ų13573%0.73280%0.798SS**THydrogen-bonded Turntrans-131.21.7-174.600000116.1S432S432-G434 PolarHBondContact O-N 3.24Å
435A40Very low40.4Very low77 Ų77136.5 Ų136.564%0.63680%0.798SS**  trans-102.7111.9-178.100000112
436W43.2Very low40.4Very low233 Ų233137.5 Ų137.588%0.88380%0.796SS**  trans-76129170.1-71.581.4000110.3Y438W436-Y438 PolarHBondContact O-N 3.19Å; W436-Y438 VanDerWaalsContact O-N 3.13Å
437P47.7Very low39.9Very low116 Ų116135.1 Ų135.175%0.75379%0.785SS**  trans-76.5100.9173.330.4-32.6000110.2S439P437-S439 PolarHBondContact O-N 3.42Å
438Y33.8Very low40Very low220 Ų220133.1 Ų133.186%0.86379%0.787SS**  trans-64.2119.3160.9-83.8-89.5000108.8W436 A440W436-Y438 PolarHBondContact O-N 3.19Å; W436-Y438 VanDerWaalsContact O-N 3.13Å; Y438-A440 VanDerWaalsContact C-N 3.3Å; Y438-A440 PolarHBondContact O-N 3.27Å
439S38.4Very low39.9Very low120 Ų120135.1 Ų135.184%0.83979%0.788SS**  trans-74.182.5174.9-55.30000110.8P437 S441P437-S439 PolarHBondContact O-N 3.42Å; S439-S441 PolarHBondContact O-N 3.07Å
440A33.5Very low39.7Very low86 Ų86133.7 Ų133.771%0.71178%0.781SS**  trans-70.8111162.500000108.6Y438 D442Y438-A440 VanDerWaalsContact C-N 3.3Å; Y438-A440 PolarHBondContact O-N 3.27Å; A440-D442 PolarHBondContact O-N 3.5Å
441S40.3Very low39.1Very low107 Ų107131.9 Ų131.975%0.74878%0.782SS**  trans-93.179.8-179.458.50000110.9S439 S443S439-S441 PolarHBondContact O-N 3.07Å; S441-S443 PolarHBondContact O-N 3.15Å; S441-S443 VanDerWaalsContact O-N 3.16Å
442D36.9Very low38.8Very low160 Ų160129.4 Ų129.486%0.85678%0.776SS**  trans-67.9111.4172.7-78.7-52.5000110.5A440A440-D442 PolarHBondContact O-N 3.5Å
443S30Very low38.7Very low104 Ų104138.4 Ų138.473%0.72780%0.804SS**  trans-79.4153.2-179.6-71.60000112S441 L445S441-S443 PolarHBondContact O-N 3.15Å; S441-S443 VanDerWaalsContact O-N 3.16Å; S443-L445 PolarHBondContact O-N 3.37Å
444L42.2Very low38.3Very low178 Ų178137.8 Ų137.893%0.93280%0.795SS**  trans-51.1108.3178.3-69.4161.8000112.8
445L38.4Very low37.7Very low159 Ų159141.3 Ų141.383%0.83280%0.798SS**  trans-114.379.4163-92154.7000109.4S443 N447S443-L445 PolarHBondContact O-N 3.37Å; L445-N447 PolarHBondContact O-N 3.05Å; L445-N447 VanDerWaalsContact O-N 3.11Å
446N39.7Very low37.6Very low146 Ų146144.8 Ų144.878%0.78181%0.807SS**  trans-63.2106.2166.2172.524.9000109
447N34.4Very low37.2Very low118 Ų118139.6 Ų139.663%0.63180%0.802SS**  trans-137.171.8176.9-151.914.2000111.8L445 H449L445-N447 PolarHBondContact O-N 3.05Å; L445-N447 VanDerWaalsContact O-N 3.11Å; N447-H449 PolarHBondContact O-N 2.85Å; N447-H449 PolarHBondContact OD1-CD2 2.69Å; N447-H449 VanDerWaalsContact OD1-CD2 3.31Å
448A39.3Very low36.6Very low94 Ų94141.1 Ų141.178%0.77781%0.805SS**  trans-71.883.3177.900000111.9
449H38.4Very low36.8Very low160 Ų160135.9 Ų135.974%0.74180%0.802SS**  trans-86.2112.2174.4-96.5-83.5000112.5N447N447-H449 PolarHBondContact O-N 2.85Å; N447-H449 PolarHBondContact OD1-CD2 2.69Å; N447-H449 VanDerWaalsContact OD1-CD2 3.31Å
450N36.3Very low36.6Very low145 Ų145137 Ų13778%0.77580%0.799SS**  trans-82.2116.8171.2176.6-15.1000110.6
451S34.2Very low36.9Very low118 Ų118140.9 Ų140.983%0.82581%0.806SS**  trans-163.1145.2144.9-78.80000109.5
452G35.8Very low36.6Very low60 Ų60143.8 Ų143.862%0.61981%0.811SS**  cis113.736-4.200000115.5
453K33.5Very low36.6Very low283 Ų283142.3 Ų142.3100%1.2381%0.806SS**  trans-168.30152.6-99.3140.5-171175.60109.9

Retrieved 453 of 453 residues in 70.1 ms (Link to these results)