A0A087XMK4_POEFO Loading...

Putative monooxygenase p33MONOX

AlphaFold DB , UniProt , Accession A0A087XMK4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 323 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
1M36.8Very low42.8Very low231 Ų231140.2 Ų140.2100%1.13882%0.819SS**  0102.70-38.8-43.7-172.300105.7
2A35.8Very low43.3Very low87 Ų87145.3 Ų145.372%0.71983%0.829SS**  73.3132.850.600000112
3T40.6Very low43.2Very low148 Ų148143.5 Ų143.591%0.90883%0.831SS**  cis-165.8160.4-6.811.50000109.1
4G39.8Very low43Very low69 Ų69138.1 Ų138.171%0.71182%0.821SS**  trans132.882.117900000109.7
5H38.2Very low42.9Very low182 Ų182140.9 Ų140.984%0.84383%0.826SS**  68.5125.662.5-157.8-66.5000112.3
6E45.5Very low43.3Very low138 Ų138139.9 Ų139.965%0.64583%0.829SS**  trans-78.6158.4-176-60143.2116.400112.2I8E6-I8 HydrophobicContact CB-CG1 4.47Å
7D42.3Very low43.2Very low168 Ų168135.7 Ų135.790%0.89882%0.822SS**  trans-119.9141.7145.5-91.6-46.6000107.2
8I53.2Low43.7Very low142 Ų142138.3 Ų138.373%0.72883%0.829SS**  trans-110.3-167.8-156.3-16.8179.6000112.2E6E6-I8 HydrophobicContact CB-CG1 4.47Å
9P57.6Low43.9Very low119 Ų119137.5 Ų137.577%0.77383%0.829SS**  trans-104170.3-130.341.4-28.8000114.9
10A36.4Very low44Very low97 Ų97136.8 Ų136.880%0.80283%0.825SS**  trans-120.585.917200000112.6
11L44.9Very low44Very low161 Ų161135 Ų13584%0.84383%0.825SS**  trans57.5117.2149.1-56.6173.2000119.9
12E48.7Very low44.5Very low201 Ų201131.4 Ų131.494%0.93981%0.809SS**  trans-58.8135.7146.9-64.7-179.9102.900110.4
13S42.4Very low45.1Very low123 Ų123132.4 Ų132.486%0.8681%0.811SS**  trans-163.9139.2158.8-171.30000111.2
14G40.2Very low45.7Very low67 Ų67130.6 Ų130.669%0.69180%0.804SS**  trans97.579.9160.200000117.4
15M41.3Very low46.2Very low180 Ų180133 Ų13389%0.88781%0.808SS**  25.8114.8129.2-135.875.371.500119.4G17M15-G17 PolarHBondContact O-N 3.29Å
16S49.2Very low46.7Very low125 Ų125129.1 Ų129.187%0.87481%0.807SS**  trans4172.4137.3-176.70000118.1
17G42.1Very low47.1Very low69 Ų69126.1 Ų126.171%0.71181%0.813SS**  trans-118.3121.4169.700000113M15 C19M15-G17 PolarHBondContact O-N 3.29Å; G17-C19 PolarHBondContact O-N 2.9Å
18L52.1Low47.6Very low182 Ų182125.3 Ų125.395%0.95381%0.807SS**  trans-75.589.7176.8-74.8169.2000111.6
19C46.4Very low47.6Very low123 Ų123122.1 Ų122.183%0.83180%0.802SS**  trans-123.395.7170.4-79.50000111G17 A21G17-C19 PolarHBondContact O-N 2.9Å; C19-A21 PolarHBondContact O-N 3.36Å; C19-A21 VanDerWaalsContact O-N 3.1Å
20V46.6Very low47.7Very low124 Ų124127 Ų12775%0.75281%0.805SS**  trans-69104.4171.1176.70000108.6L22V20-L22 HydrophobicContact CG1-CD2 3.9Å; V20-L22 HydrophobicContact CG1-CG 4.34Å; V20-L22 PolarHBondContact O-N 3.36Å
21A44.4Very low48.9Very low98 Ų98130.4 Ų130.481%0.8180%0.803SS**  trans-67.495167.300000108.8C19 S23C19-A21 PolarHBondContact O-N 3.36Å; C19-A21 VanDerWaalsContact O-N 3.1Å; A21-S23 PolarHBondContact O-N 3.27Å
22L47Very low49.7Very low156 Ų156130 Ų13082%0.81780%0.802SS**  trans-64.2105.1179.3-69.7171.3000109.9V20 S24V20-L22 HydrophobicContact CG1-CD2 3.9Å; V20-L22 HydrophobicContact CG1-CG 4.34Å; V20-L22 PolarHBondContact O-N 3.36Å; L22-S24 PolarHBondContact O-N 3.07Å
23S49Very low50.5Low108 Ų108126.6 Ų126.676%0.75579%0.789SS**PPolyproline II helixtrans-61.7120.8173.553.40000110.4A21 P25A21-S23 PolarHBondContact O-N 3.27Å; S23-P25 WeakPolarHBondContact O-CD 3.39Å
24S51.5Low51.3Low110 Ų110122.9 Ų122.977%0.76976%0.763SS**PPolyproline II helixtrans-53.3123.2174.2-58.80000110.8L22 A26L22-S24 PolarHBondContact O-N 3.07Å; S24-A26 PolarHBondContact O-N 3.03Å; S24-A26 VanDerWaalsContact O-N 3.12Å
25P51.9Low52.3Low121 Ų121129.4 Ų129.479%0.78677%0.768SS**PPolyproline II helixtrans-60.8117.4178.4-2535000111.1S23 G27S23-P25 WeakPolarHBondContact O-CD 3.39Å; P25-G27 PolarHBondContact O-N 3.18Å
26A49.1Very low53.5Low100 Ų100127 Ų12783%0.82676%0.759SS**PPolyproline II helixtrans-69.2120.7-18000000110.8S24 I28S24-A26 PolarHBondContact O-N 3.03Å; S24-A26 VanDerWaalsContact O-N 3.12Å; A26-I28 PolarHBondContact O-N 2.96Å
27G52Low54.2Low74 Ų74128.3 Ų128.376%0.76375%0.752SS**  trans49.966154.900000117.5P25 A29P25-G27 PolarHBondContact O-N 3.18Å; G27-A29 PolarHBondContact O-N 2.77Å
28I53.3Low55.2Low152 Ų152130.1 Ų130.178%0.77974%0.741SS**  trans-62.7108.2153.8-68.7176.9000107.1A26 R30A26-I28 PolarHBondContact O-N 2.96Å; I28-R30 PolarHBondContact O-N 3.25Å
29A54.2Low55.7Low74 Ų74128.3 Ų128.361%0.61273%0.73SS**  trans-62.6104.3173.700000109G27 H31G27-A29 PolarHBondContact O-N 2.77Å; A29-H31 VanDerWaalsContact C-N 3.33Å; A29-H31 PolarHBondContact O-CD2 3.16Å; A29-H31 PolarHBondContact O-N 3.13Å
30R58.5Low56.5Low223 Ų223129.9 Ų129.984%0.84273%0.73SS**  trans-7193.9171-68.9-175.8179.5-175.5-0.4108I28 N32I28-R30 PolarHBondContact O-N 3.25Å; R30-N32 PolarHBondContact O-N 2.89Å
31H62.7Low57.5Low167 Ų167128.8 Ų128.877%0.77372%0.719SS**  trans-58.5108.3161.4-70.6-91.5000107.3A29 I33A29-H31 VanDerWaalsContact C-N 3.33Å; A29-H31 PolarHBondContact O-CD2 3.16Å; A29-H31 PolarHBondContact O-N 3.13Å; H31-I33 PolarHBondContact O-N 3.1Å
32N61.5Low58.7Low152 Ų152129.4 Ų129.481%0.81371%0.714SS**  trans-67.5106.1173-71-32.5000107R30 S34R30-N32 PolarHBondContact O-N 2.89Å; N32-S34 PolarHBondContact O-N 3.02Å
33I64.7Low60Low130 Ų130130.3 Ų130.367%0.66772%0.716SS**  trans-67.2101.8177.5-53.9173.6000107.1H31 Y35H31-I33 PolarHBondContact O-N 3.1Å; I33-Y35 PolarHBondContact O-N 2.96Å
34S60.6Low60.7Low45 Ų45133.6 Ų133.632%0.31572%0.719SS.*  trans-68.4120.5173.4-174.40000108.3N32 D36N32-S34 PolarHBondContact O-N 3.02Å; S34-D36 PolarHBondContact O-N 2.97Å; S34-D36 PolarHBondContact OG-N 3.34Å
35Y60Low61.2Low205 Ų205135.6 Ų135.680%0.80472%0.717SS**SBendtrans-65.6-22.7173.7-99.7-91.6000112.2I33 M39I33-Y35 PolarHBondContact O-N 2.96Å; Y35-M39 WeakPolarHBondContact O-CG 3.45Å
36D67.6Low62Low130 Ų130133.8 Ų133.870%0.69571%0.705SS**G310 helixtrans-71.7-45.7-176.8-144.333.5000111.3S34 H38 M39S34-D36 PolarHBondContact O-N 2.97Å; S34-D36 PolarHBondContact OG-N 3.34Å; D36-H38 PolarHBondContact O-N 2.8Å; D36-M39 PolarHBondContact O-N 3.43Å; D36-M39 VanDerWaalsContact O-N 3.1Å
37E64.1Low62.7Low152 Ų152133 Ų13371%0.7169%0.691SS**G310 helixtrans-66-6.7-178.5-64.9178.7178.800114.2
38H61.8Low63.2Low107 Ų107135.1 Ų135.150%0.49569%0.689SS.*G310 helixtrans-107.8-4.7178.5-66.1-36.7000114D36 I41D36-H38 PolarHBondContact O-N 2.8Å; H38-I41 HydrophobicContact CB-CD1 4.43Å
39M62.7Low63.4Low144 Ų144134.1 Ų134.171%0.70969%0.685SS**THydrogen-bonded Turntrans-77.1-33.8179-65.1-63.1-68.800113Y35 D36Y35-M39 WeakPolarHBondContact O-CG 3.45Å; D36-M39 PolarHBondContact O-N 3.43Å; D36-M39 VanDerWaalsContact O-N 3.1Å
40D63.9Low63.5Low156 Ų156137.6 Ų137.683%0.83469%0.69SS**SBendtrans-882.2-177-75.8-26.1000114.2P42D40-P42 VanDerWaalsContact O-CD 3.29Å; D40-P42 WeakPolarHBondContact O-CD 3.24Å
41I67.8Low63.5Low101 Ų101132.1 Ų132.152%0.51868%0.682SS.*SBendtrans-70.6120174.4-60177.5000108.4H38 M43H38-I41 HydrophobicContact CB-CD1 4.43Å; I41-M43 PolarHBondContact O-N 3.19Å
42P68.4Low63.3Low111 Ų111128 Ų12872%0.72167%0.668SS**  trans-60.6115.6177-22.634.4000110D40 H44D40-P42 VanDerWaalsContact O-CD 3.29Å; D40-P42 WeakPolarHBondContact O-CD 3.24Å; P42-H44 PolarHBondContact O-N 2.92Å
43M73.7Confident63.1Low174 Ų174128.4 Ų128.486%0.85766%0.663SS**  trans-51.3115.3178.7-81.5-66.5-67.300109.9I41 H45I41-M43 PolarHBondContact O-N 3.19Å; M43-H45 PolarHBondContact O-N 3.34Å
44H64.8Low62.6Low177 Ų177128 Ų12882%0.81966%0.662SS**PPolyproline II helixtrans-50.4124.8-170.4-171.2-63.4000110.3P42P42-H44 PolarHBondContact O-N 2.92Å
45H62.9Low62.4Low153 Ų153132.7 Ų132.771%0.70868%0.677SS**PPolyproline II helixtrans-53139.3-178.4-58.3-55.8000110.5M43M43-H45 PolarHBondContact O-N 3.34Å
46P67.1Low62.1Low83 Ų83135 Ų13554%0.53969%0.685SS.*PPolyproline II helixtrans-59.2146179.625.3-34.1000110V48 M50P46-V48 PolarHBondContact O-N 3.15Å; P46-M50 HydrophobicContact CB-SD 4.04Å
47P64.6Low61.8Low83 Ų83136.5 Ų136.554%0.53969%0.685SS.*PPolyproline II helixtrans-51.9139.3177.7-2735000111.4D49 M50P47-D49 PolarHBondContact O-N 2.69Å; P47-M50 WeakPolarHBondContact O-CB 3.17Å; P47-M50 PolarHBondContact O-N 3.39Å
48V61.8Low61.5Low118 Ų118136.3 Ų136.372%0.71569%0.689SS**G310 helixtrans-55.1-32.1-171.8-179.80000112.1P46 M50 T51P46-V48 PolarHBondContact O-N 3.15Å; V48-M50 PolarHBondContact O-N 2.91Å; V48-M50 VanDerWaalsContact O-N 3.15Å; V48-T51 WeakPolarHBondContact O-CB 3.31Å; V48-T51 PolarHBondContact O-N 3.3Å; V48-T51 PolarHBondContact O-OG1 2.87Å
49D57.9Low61.4Low131 Ų131135.3 Ų135.370%0.70169%0.692SS**G310 helixtrans-57.8-24.4175.1-70.2-24.6000114.4P47 T51 V52P47-D49 PolarHBondContact O-N 2.69Å; D49-T51 PolarHBondContact O-N 3.05Å; D49-V52 WeakPolarHBondContact O-CB 3.16Å; D49-V52 WeakPolarHBondContact O-CG2 3.37Å; D49-V52 PolarHBondContact O-N 3.34Å
50M57.3Low61.5Low147 Ų147135.2 Ų135.272%0.72470%0.699SS**G310 helixtrans-71.3-14.6173.5-68.6-168171.600113.4P46 P47 V48P46-M50 HydrophobicContact CB-SD 4.04Å; P47-M50 WeakPolarHBondContact O-CB 3.17Å; P47-M50 PolarHBondContact O-N 3.39Å; V48-M50 PolarHBondContact O-N 2.91Å; V48-M50 VanDerWaalsContact O-N 3.15Å
51T56.6Low61.8Low108 Ų108134 Ų13466%0.66369%0.691SS**G310 helixtrans-87.2-6.9173.670.20000112.9V48 D49 K53V48-T51 WeakPolarHBondContact O-CB 3.31Å; V48-T51 PolarHBondContact O-N 3.3Å; V48-T51 PolarHBondContact O-OG1 2.87Å; D49-T51 PolarHBondContact O-N 3.05Å; T51-K53 PolarHBondContact O-N 3.43Å
52V59.1Low61.2Low81 Ų81134.7 Ų134.749%0.49170%0.702SS.*SBendtrans-63.6123.1173.1-177.90000108.3D49 N54D49-V52 WeakPolarHBondContact O-CB 3.16Å; D49-V52 WeakPolarHBondContact O-CG2 3.37Å; D49-V52 PolarHBondContact O-N 3.34Å; V52-N54 WeakPolarHBondContact CG1-OD1 3.18Å; V52-N54 PolarHBondContact O-N 3.08Å
53K57.5Low60.8Low161 Ų161140.9 Ų140.970%0.771%0.711SS**  trans-72.175.2-178.4-166.7171.5-1761730109.5T51 F55T51-K53 PolarHBondContact O-N 3.43Å; K53-F55 HydrophobicContact CB-CE2 4.26Å; K53-F55 HydrophobicContact CD-CE1 4.34Å; K53-F55 HydrophobicContact CD-CE2 3.91Å; K53-F55 HydrophobicContact CD-CZ 3.63Å; K53-F55 HydrophobicContact CG-CD2 4.31Å; K53-F55 HydrophobicContact CG-CE1 4.37Å; K53-F55 HydrophobicContact CG-CE2 3.83Å; K53-F55 HydrophobicContact CG-CZ 3.88Å; K53-F55 WeakPolarHBondContact O-CD2 3.42Å; K53-F55 PolarHBondContact O-N 3.21Å
54N54.1Low60Low122 Ų122139.1 Ų139.165%0.65270%0.701SS**  trans-66.578.7-179.9-75.8-15.8000110.3V52 W56V52-N54 WeakPolarHBondContact CG1-OD1 3.18Å; V52-N54 PolarHBondContact O-N 3.08Å; N54-W56 PolarHBondContact O-N 2.75Å
55F57.3Low59.5Low142 Ų142142.1 Ų142.162%0.62371%0.705SS**  trans-57.6124167.8-64.9-82.7000108.3K53 K57K53-F55 HydrophobicContact CB-CE2 4.26Å; K53-F55 HydrophobicContact CD-CE1 4.34Å; K53-F55 HydrophobicContact CD-CE2 3.91Å; K53-F55 HydrophobicContact CD-CZ 3.63Å; K53-F55 HydrophobicContact CG-CD2 4.31Å; K53-F55 HydrophobicContact CG-CE1 4.37Å; K53-F55 HydrophobicContact CG-CE2 3.83Å; K53-F55 HydrophobicContact CG-CZ 3.88Å; K53-F55 WeakPolarHBondContact O-CD2 3.42Å; K53-F55 PolarHBondContact O-N 3.21Å; F55-K57 HydrophobicContact CB-CB 4.05Å; F55-K57 HydrophobicContact CB-CG 3.75Å; F55-K57 PolarHBondContact O-N 3.22Å
56W53.8Low59Low254 Ų254142.6 Ų142.696%0.96271%0.705SS**THydrogen-bonded Turntrans-71.454.9168.5-71.771.5000110.4N54N54-W56 PolarHBondContact O-N 2.75Å
57K60.8Low57.8Low162 Ų162148.5 Ų148.570%0.70472%0.717SS**THydrogen-bonded Turntrans-87.1-43.3-172-101.1-76.7-179.1176.10111.8F55 P59F55-K57 HydrophobicContact CB-CB 4.05Å; F55-K57 HydrophobicContact CB-CG 3.75Å; F55-K57 PolarHBondContact O-N 3.22Å; K57-P59 WeakPolarHBondContact O-CD 3.44Å
58D56.7Low56.4Low147 Ų147151.9 Ų151.979%0.78673%0.73SS**  trans-117.986.8179.2-69.2-59.8000109.9V60D58-V60 PolarHBondContact O-N 2.8Å
59P59.8Low55.1Low87 Ų87154.1 Ų154.157%0.56573%0.73SS**  trans-61.1123163.127.2-32.9000108.3K57 I61K57-P59 WeakPolarHBondContact O-CD 3.44Å; P59-I61 HydrophobicContact CB-CG1 4.28Å; P59-I61 HydrophobicContact CG-CD1 4.22Å; P59-I61 HydrophobicContact CG-CG1 4.36Å; P59-I61 PolarHBondContact O-N 3.41Å
60V66.6Low54.5Low142 Ų142157.1 Ų157.186%0.86174%0.74SS**  trans-74.274.5179.9-174.50000109.6D58 P62D58-V60 PolarHBondContact O-N 2.8Å; V60-P62 VanDerWaalsContact O-CD 3.31Å; V60-P62 WeakPolarHBondContact O-CD 3.24Å
61I68.2Low53.5Low129 Ų129156.9 Ų156.966%0.66275%0.747SS**  trans-72.3118.3176.9-62.4169.8000108.2P59 R63P59-I61 HydrophobicContact CB-CG1 4.28Å; P59-I61 HydrophobicContact CG-CD1 4.22Å; P59-I61 HydrophobicContact CG-CG1 4.36Å; P59-I61 PolarHBondContact O-N 3.41Å; I61-R63 PolarHBondContact O-N 2.82Å; I61-R63 VanDerWaalsContact O-N 3.13Å
62P56.1Low52.5Low116 Ų116156.6 Ų156.675%0.75375%0.749SS**  trans-61.3118.1177-23.435.4000110.6V60 H64V60-P62 VanDerWaalsContact O-CD 3.31Å; V60-P62 WeakPolarHBondContact O-CD 3.24Å; P62-H64 PolarHBondContact O-N 3.16Å
63R59.1Low51.5Low241 Ų241161 Ų16191%0.90976%0.762SS**  trans-68.492.9-178.4-72.2-174.3176.2-175.6-0.4111I61 R65I61-R63 PolarHBondContact O-N 2.82Å; I61-R63 VanDerWaalsContact O-N 3.13Å; R63-R65 PolarHBondContact O-N 3.4Å
64H57.6Low50.2Low138 Ų138160.2 Ų160.264%0.63977%0.765SS**  trans-63.1122.6176.9-163.7-70000110.9P62 F66P62-H64 PolarHBondContact O-N 3.16Å; H64-F66 HydrophobicContact CB-CD2 4.46Å; H64-F66 AromaticContact CE1-CD1 3.81Å; H64-F66 AromaticContact CE1-CD2 3.76Å; H64-F66 AromaticContact CE1-CE1 3.42Å; H64-F66 VanDerWaalsContact CE1-CE1 3.42Å; H64-F66 WeakPolarHBondContact CE1-CE1 3.21Å; H64-F66 AromaticContact CE1-CE2 3.37Å; H64-F66 WeakPolarHBondContact CE1-CE2 3.4Å; H64-F66 AromaticContact CE1-CG 3.96Å; H64-F66 AromaticContact CE1-CZ 3.18Å; H64-F66 WeakPolarHBondContact CE1-CZ 3.43Å; H64-F66 AromaticContact CG-CD2 3.91Å; H64-F66 AromaticContact CG-CE2 3.77Å; H64-F66 AromaticContact ND1-CD1 3.83Å; H64-F66 AromaticContact ND1-CD2 3.16Å; H64-F66 WeakPolarHBondContact ND1-CD2 3.42Å; H64-F66 AromaticContact ND1-CE1 3.83Å; H64-F66 AromaticContact ND1-CE2 3.17Å; H64-F66 WeakPolarHBondContact ND1-CE2 3.45Å; H64-F66 AromaticContact ND1-CG 3.5Å; H64-F66 AromaticContact ND1-CZ 3.52Å; H64-F66 AromaticContact NE2-CZ 3.85Å; H64-F66 PolarHBondContact O-N 2.87Å
65R55.3Low49.3Very low239 Ų239157.4 Ų157.490%0.90277%0.765SS**  trans-79.758.2-175.4-60.9-169-171.8-167.65.6113.1R63 R67R63-R65 PolarHBondContact O-N 3.4Å; R65-R67 PolarHBondContact O-N 3.14Å
66F52Low47.9Very low163 Ų163157 Ų15772%0.71577%0.769SS**  trans-73.8113.9167-74-55.4000110.1H64 N68H64-F66 HydrophobicContact CB-CD2 4.46Å; H64-F66 AromaticContact CE1-CD1 3.81Å; H64-F66 AromaticContact CE1-CD2 3.76Å; H64-F66 AromaticContact CE1-CE1 3.42Å; H64-F66 VanDerWaalsContact CE1-CE1 3.42Å; H64-F66 WeakPolarHBondContact CE1-CE1 3.21Å; H64-F66 AromaticContact CE1-CE2 3.37Å; H64-F66 WeakPolarHBondContact CE1-CE2 3.4Å; H64-F66 AromaticContact CE1-CG 3.96Å; H64-F66 AromaticContact CE1-CZ 3.18Å; H64-F66 WeakPolarHBondContact CE1-CZ 3.43Å; H64-F66 AromaticContact CG-CD2 3.91Å; H64-F66 AromaticContact CG-CE2 3.77Å; H64-F66 AromaticContact ND1-CD1 3.83Å; H64-F66 AromaticContact ND1-CD2 3.16Å; H64-F66 WeakPolarHBondContact ND1-CD2 3.42Å; H64-F66 AromaticContact ND1-CE1 3.83Å; H64-F66 AromaticContact ND1-CE2 3.17Å; H64-F66 WeakPolarHBondContact ND1-CE2 3.45Å; H64-F66 AromaticContact ND1-CG 3.5Å; H64-F66 AromaticContact ND1-CZ 3.52Å; H64-F66 AromaticContact NE2-CZ 3.85Å; H64-F66 PolarHBondContact O-N 2.87Å; F66-N68 PolarHBondContact O-N 3.25Å
67R41.2Very low46.9Very low208 Ų208153.2 Ų153.279%0.78576%0.759SS**  trans-79105.1-178.6170.2-176.7168-171.30.8109.6R65R65-R67 PolarHBondContact O-N 3.14Å
68N35.2Very low46Very low154 Ų154152.9 Ų152.982%0.82476%0.764SS**  trans-55.2141.7169.7-67.7-12.9000110.6F66F66-N68 PolarHBondContact O-N 3.25Å
69K35.8Very low44.7Very low164 Ų164151.8 Ų151.871%0.71376%0.763SS**  trans-130.7113.4166.9-76.3-175.4176.3-177.60107.7
70E45Very low43.3Very low194 Ų194153.8 Ų153.891%0.90777%0.773SS**  trans-71.4140.1167.2-61.7167.9115.400109.4
71V36.4Very low41.5Very low143 Ų143152.6 Ų152.687%0.86777%0.77SS**  trans-137.8134.9163-179.40000108.8
72S34.6Very low39.5Very low101 Ų101154.9 Ų154.971%0.70678%0.778SS**  trans-79.2132.4-169147.80000114.5
73K38.8Very low38.3Very low175 Ų175153.1 Ų153.176%0.76177%0.773SS**  54.4150.6127.5-150.2-166171.8-175.40120.7
74N29.7Very low37Very low143 Ų143147.5 Ų147.577%0.76577%0.771SS**  trans77.8146.3175-34.8-44.8000113.3
75G34.6Very low36Very low63 Ų63145.7 Ų145.765%0.64977%0.771SS**  cis170.7156.8-5.800000111
76D28.8Very low34.9Very low134 Ų134143.7 Ų143.772%0.71777%0.769SS**  trans68.1159.6170.5-57-41.1000116.9
77K33Very low34Very low175 Ų175141.4 Ų141.476%0.76177%0.774SS**  cis127.8133.6-10.5-80.7172.6-148.71380111.8
78I40.9Very low33.9Very low154 Ų154137.9 Ų137.979%0.7978%0.777SS**  cis-122-121.7-15.8-34.978.5000109.1
79T29.8Very low33.8Very low125 Ų125133.7 Ų133.777%0.76777%0.77SS**  cis-159.2169.3-1-32.20000109.3
80T30.8Very low34.2Very low128 Ų128132 Ų13279%0.78578%0.776SS**  trans-128.6143.1-175.7-53.30000114.1
81C29.2Very low34Very low117 Ų117129.6 Ų129.679%0.79178%0.775SS**  trans-158.4138.5154.4-86.60000107.7
82E26.4Very low34.6Very low177 Ų177129 Ų12983%0.82777%0.771SS**  64.9130.158.3-72-73.6133.700114.3
83A30.1Very low35.3Very low80 Ų80133.9 Ų133.966%0.66178%0.78SS**  cis-171.1178.1-21.500000110.4
84S31.8Very low35.8Very low122 Ų122130.6 Ų130.685%0.85379%0.785SS**  trans109.8146.2160.7-156.60000119
85P36.7Very low36.6Very low100 Ų100133.3 Ų133.365%0.64979%0.79SS**  trans-136.2177.4-158.443.2-24.8000119.2
86K31.9Very low37.3Very low197 Ų197134.1 Ų134.186%0.85779%0.79SS**  trans92.5118.7158.3-60.2165.1-178.4169.80120.2
87S32.6Very low38.6Very low116 Ų116133.7 Ų133.781%0.81179%0.793SS**  -167.7151.610855.20000111
88P39.5Very low39.7Very low133 Ų133130.1 Ų130.186%0.86479%0.786SS**  trans-98.4136.6-175.435.6-32.1000114.1
89G32.8Very low40.6Very low66 Ų66130 Ų13068%0.6879%0.786SS**  trans-106.4163.3173.400000113.8
90P45Very low41.9Very low129 Ų129130.1 Ų130.184%0.83878%0.779SS**  trans-81.3149.7-16831.8-36.2000115.1
91V41.3Very low43Very low143 Ų143128 Ų12887%0.86777%0.77SS**  trans-78.3124.5-179177.70000111.9
92V47.5Very low44.3Very low131 Ų131125.2 Ų125.279%0.79475%0.752SS**  trans-111132.8169.3-178.50000109.7A94V92-A94 PolarHBondContact O-N 2.75Å
93K50.7Low46Very low204 Ų204122 Ų12289%0.88774%0.74SS**  trans-72.995178.7-64.1-178.3-176.2178.30110.9
94A47.9Very low47.4Very low105 Ų105124.5 Ų124.587%0.86874%0.739SS**  trans-68.6140.8171.900000111.5V92V92-A94 PolarHBondContact O-N 2.75Å
95K47.7Very low48.8Very low200 Ų200121.9 Ų121.987%0.8772%0.721SS**  trans-129.2140.8-177.8-165.4-178.7-176.8-174.90109.5
96A49.6Very low50Low80 Ų80124.6 Ų124.666%0.66172%0.718SS**  trans69.1115.4173.600000118.2
97T54.8Low51.6Low125 Ų125121.7 Ų121.777%0.76771%0.708SS**  trans-114.131.6165.345.30000111.7L99 M100T97-L99 PolarHBondContact O-N 2.72Å; T97-L99 VanDerWaalsContact O-N 3.08Å; T97-M100 PolarHBondContact O-N 2.74Å
98T57.5Low53.2Low101 Ų101120 Ų12062%0.6270%0.696SS**Hα-helixtrans-54.6-31.7-169.3-47.20000114.7M100 S101 S102T98-M100 PolarHBondContact O-N 3.27Å; T98-S101 PolarHBondContact O-N 3.32Å; T98-S102 PolarHBondContact O-N 3.03Å; T98-S102 VanDerWaalsContact O-N 3.13Å
99L59.5Low54.6Low152 Ų152120.1 Ų120.180%0.79669%0.685SS**Hα-helixtrans-62-38.6-178.4-63.2176.9000113T97 S102 L103T97-L99 PolarHBondContact O-N 2.72Å; T97-L99 VanDerWaalsContact O-N 3.08Å; L99-S102 PolarHBondContact O-N 3.12Å; L99-L103 PolarHBondContact O-N 3.01Å
100M56.8Low56.3Low126 Ų126121.4 Ų121.462%0.62167%0.673SS**Hα-helixtrans-68-40.1-179.9-66.2-59.2-66.100111.9T97 T98 L103 M104T97-M100 PolarHBondContact O-N 2.74Å; T98-M100 PolarHBondContact O-N 3.27Å; M100-L103 PolarHBondContact O-N 2.99Å; M100-M104 WeakPolarHBondContact O-CG 3.44Å; M100-M104 PolarHBondContact O-N 3.3Å; M100-M104 VanDerWaalsContact O-N 3.14Å
101S53.2Low57.5Low84 Ų84120.6 Ų120.659%0.58766%0.662SS**Hα-helixtrans-63.1-43.8175.9-173.60000111.5T98 L103 M104 S105T98-S101 PolarHBondContact O-N 3.32Å; S101-L103 PolarHBondContact O-N 3.48Å; S101-M104 PolarHBondContact O-N 3.48Å; S101-S105 PolarHBondContact O-N 2.95Å; S101-S105 PolarHBondContact O-OG 2.83Å
102S57.2Low58.9Low59 Ų59118.5 Ų118.541%0.41365%0.645SS.*Hα-helixtrans-64-37177.5-171.60000113.2T98 L99 S105 R106T98-S102 PolarHBondContact O-N 3.03Å; T98-S102 VanDerWaalsContact O-N 3.13Å; L99-S102 PolarHBondContact O-N 3.12Å; S102-S105 PolarHBondContact O-OG 3.28Å; S102-R106 WeakPolarHBondContact O-CG 3.43Å; S102-R106 PolarHBondContact O-N 3.35Å
103L62.9Low60Low110 Ų110117 Ų11758%0.57663%0.629SS**Hα-helixtrans-66.4-46.1175.3-175.563.7000111.6L99 M100 S101 Q107L99-L103 PolarHBondContact O-N 3.01Å; M100-L103 PolarHBondContact O-N 2.99Å; S101-L103 PolarHBondContact O-N 3.48Å; L103-Q107 WeakPolarHBondContact O-CB 3.15Å; L103-Q107 PolarHBondContact O-N 3.18Å
104M59.4Low61Low132 Ų132112.8 Ų112.865%0.6561%0.611SS**Hα-helixtrans-67-39.3-179.2-70.8-173.570.300112.8M100 S101 S108M100-M104 WeakPolarHBondContact O-CG 3.44Å; M100-M104 PolarHBondContact O-N 3.3Å; M100-M104 VanDerWaalsContact O-N 3.14Å; S101-M104 PolarHBondContact O-N 3.48Å; M104-S108 WeakPolarHBondContact O-CB 3.4Å; M104-S108 PolarHBondContact O-N 3.2Å
105S61.2Low62.2Low66 Ų66113.4 Ų113.446%0.46259%0.594SS.*Hα-helixtrans-65.7-44.517862.90000111.9S101 S102 S108 Q109S101-S105 PolarHBondContact O-N 2.95Å; S101-S105 PolarHBondContact O-OG 2.83Å; S102-S105 PolarHBondContact O-OG 3.28Å; S105-S108 PolarHBondContact O-N 3.32Å; S105-Q109 WeakPolarHBondContact O-CB 3.17Å; S105-Q109 PolarHBondContact O-N 2.88Å
106R60.9Low63.4Low158 Ų158106.6 Ų106.660%0.59657%0.566SS**Hα-helixtrans-65.2-42.8176.8-67.9-17673.6168.85.6112.4S102 S108 Q109 E110S102-R106 WeakPolarHBondContact O-CG 3.43Å; S102-R106 PolarHBondContact O-N 3.35Å; R106-S108 VanDerWaalsContact C-N 3.28Å; R106-S108 PolarHBondContact O-N 3.31Å; R106-Q109 PolarHBondContact O-N 3.01Å; R106-E110 PolarHBondContact O-N 3.41Å
107Q66.6Low64.5Low136 Ų136108.1 Ų108.164%0.63656%0.559SS**Hα-helixtrans-61.2-38.1175.5-174.1179.10.500112L103 N111L103-Q107 WeakPolarHBondContact O-CB 3.15Å; L103-Q107 PolarHBondContact O-N 3.18Å; Q107-N111 WeakPolarHBondContact O-CB 3.18Å; Q107-N111 PolarHBondContact O-N 3.13Å
108S65.3Low65.3Low81 Ų81110.5 Ų110.557%0.56656%0.562SS**Hα-helixtrans-67.4-47.2174.8-168.20000112M104 S105 R106 E110 N111 L112M104-S108 WeakPolarHBondContact O-CB 3.4Å; M104-S108 PolarHBondContact O-N 3.2Å; S105-S108 PolarHBondContact O-N 3.32Å; R106-S108 VanDerWaalsContact C-N 3.28Å; R106-S108 PolarHBondContact O-N 3.31Å; S108-E110 PolarHBondContact O-N 3.48Å; S108-N111 WeakPolarHBondContact O-CB 3.29Å; S108-N111 PolarHBondContact O-N 2.99Å; S108-N111 VanDerWaalsContact O-N 3.13Å; S108-L112 PolarHBondContact O-N 3.47Å
109Q68.9Low65.7Low135 Ų135108.1 Ų108.163%0.63155%0.552SS**Hα-helixtrans-60.7-45.3-179.6-173.4178.915.900112.4S105 R106 N111 L112 Q113S105-Q109 WeakPolarHBondContact O-CB 3.17Å; S105-Q109 PolarHBondContact O-N 2.88Å; R106-Q109 PolarHBondContact O-N 3.01Å; Q109-N111 VanDerWaalsContact C-N 3.29Å; Q109-N111 PolarHBondContact O-N 3.4Å; Q109-L112 PolarHBondContact O-N 3.27Å; Q109-Q113 PolarHBondContact O-N 2.96Å
110E68.4Low65.7Low93 Ų93103.3 Ų103.344%0.43554%0.539SS..Hα-helixtrans-63.6-33.5175.2-81.4-168.4-136.600113.1R106 S108 K114R106-E110 PolarHBondContact O-N 3.41Å; S108-E110 PolarHBondContact O-N 3.48Å; E110-K114 WeakPolarHBondContact O-CB 3.25Å; E110-K114 WeakPolarHBondContact O-CD 3.06Å; E110-K114 WeakPolarHBondContact O-CE 3.4Å; E110-K114 WeakPolarHBondContact O-CG 3.39Å; E110-K114 PolarHBondContact O-N 3.3Å; E110-K114 VanDerWaalsContact O-N 3.14Å; E110-K114 IonicContact OE2-NZ 2.72Å; E110-K114 PolarHBondContact OE2-NZ 3.31Å
111N69.3Low66Low112 Ų112102.9 Ų102.960%0.59954%0.539SS*.Hα-helixtrans-72.5-44.1177.7-167.38000110.8Q107 S108 Q109 Q113 K114 F115Q107-N111 WeakPolarHBondContact O-CB 3.18Å; Q107-N111 PolarHBondContact O-N 3.13Å; S108-N111 WeakPolarHBondContact O-CB 3.29Å; S108-N111 PolarHBondContact O-N 2.99Å; S108-N111 VanDerWaalsContact O-N 3.13Å; Q109-N111 VanDerWaalsContact C-N 3.29Å; Q109-N111 PolarHBondContact O-N 3.4Å; N111-Q113 PolarHBondContact O-N 3.01Å; N111-K114 PolarHBondContact O-N 3.39Å; N111-F115 WeakPolarHBondContact O-CB 3.47Å; N111-F115 PolarHBondContact O-N 3.27Å
112L71.9Confident66.4Low99 Ų99101.8 Ų101.852%0.51853%0.528SS..Hα-helixtrans-58.3-47.7174.6-171.472.1000111.3S108 Q109 K114 F115 E116S108-L112 PolarHBondContact O-N 3.47Å; Q109-L112 PolarHBondContact O-N 3.27Å; L112-K114 VanDerWaalsContact C-N 3.35Å; L112-K114 PolarHBondContact O-N 3.26Å; L112-F115 CarbonylContact O-C 3.59Å; L112-F115 WeakPolarHBondContact O-CB 3.38Å; L112-F115 PolarHBondContact O-N 3.19Å; L112-F115 VanDerWaalsContact O-N 3.16Å; L112-E116 WeakPolarHBondContact O-CG 3.38Å; L112-E116 PolarHBondContact O-N 3.13Å
113Q70.3Confident66.4Low98 Ų98105.8 Ų105.846%0.45854%0.541SS..Hα-helixtrans-61.3-41.1177.2-173.5-176.6-0.600112.3Q109 N111 F115 E116 H117Q109-Q113 PolarHBondContact O-N 2.96Å; N111-Q113 PolarHBondContact O-N 3.01Å; Q113-F115 VanDerWaalsContact C-N 3.33Å; Q113-E116 PolarHBondContact O-N 2.94Å; Q113-H117 PolarHBondContact NE2-NE2 2.99Å; Q113-H117 PolarHBondContact O-CD2 3.06Å; Q113-H117 PolarHBondContact O-N 3.02Å
114K71.8Confident66.2Low116 Ų116104.6 Ų104.650%0.50455%0.547SS..Hα-helixtrans-66.3-36.6176.4-71161-159.8165.20111.3E110 N111 L112 Q118E110-K114 WeakPolarHBondContact O-CB 3.25Å; E110-K114 WeakPolarHBondContact O-CD 3.06Å; E110-K114 WeakPolarHBondContact O-CE 3.4Å; E110-K114 WeakPolarHBondContact O-CG 3.39Å; E110-K114 PolarHBondContact O-N 3.3Å; E110-K114 VanDerWaalsContact O-N 3.14Å; E110-K114 IonicContact OE2-NZ 2.72Å; E110-K114 PolarHBondContact OE2-NZ 3.31Å; N111-K114 PolarHBondContact O-N 3.39Å; L112-K114 VanDerWaalsContact C-N 3.35Å; L112-K114 PolarHBondContact O-N 3.26Å; K114-Q118 VanDerWaalsContact O-CB 3.24Å; K114-Q118 WeakPolarHBondContact O-CB 3.46Å; K114-Q118 PolarHBondContact O-N 2.96Å
115F73.4Confident65.9Low118 Ų118104.5 Ų104.552%0.51855%0.553SS.*Hα-helixtrans-66.3-45.6172.5175.6-96.6000112.4N111 L112 Q113 H117 Q118 A119 L121N111-F115 WeakPolarHBondContact O-CB 3.47Å; N111-F115 PolarHBondContact O-N 3.27Å; L112-F115 CarbonylContact O-C 3.59Å; L112-F115 WeakPolarHBondContact O-CB 3.38Å; L112-F115 PolarHBondContact O-N 3.19Å; L112-F115 VanDerWaalsContact O-N 3.16Å; Q113-F115 VanDerWaalsContact C-N 3.33Å; F115-H117 PolarHBondContact O-N 2.96Å; F115-Q118 PolarHBondContact O-N 3.02Å; F115-A119 HydrophobicContact CE1-CB 4.39Å; F115-A119 HydrophobicContact CZ-CB 4.29Å; F115-A119 WeakPolarHBondContact O-CB 3.41Å; F115-A119 PolarHBondContact O-N 3.42Å; F115-L121 HydrophobicContact CE1-CD1 4.22Å
116E73.4Confident65.2Low58 Ų58108.8 Ų108.827%0.27156%0.56SS.*Hα-helixtrans-55.7-48.7175.4-74168.1-170.100111.3L112 Q113 G120 L121L112-E116 WeakPolarHBondContact O-CG 3.38Å; L112-E116 PolarHBondContact O-N 3.13Å; Q113-E116 PolarHBondContact O-N 2.94Å; E116-G120 PolarHBondContact O-N 2.91Å; E116-L121 PolarHBondContact O-N 3.3Å
117H72.8Confident65Low112 Ų112106.1 Ų106.152%0.51957%0.566SS.*Hα-helixtrans-63.7-40.4175.7-69.5-49.1000113Q113 F115 T122Q113-H117 PolarHBondContact NE2-NE2 2.99Å; Q113-H117 PolarHBondContact O-CD2 3.06Å; Q113-H117 PolarHBondContact O-N 3.02Å; F115-H117 PolarHBondContact O-N 2.96Å; H117-T122 WeakPolarHBondContact ND1-CG2 3.4Å
118Q70.4Confident64.5Low175 Ų175102.1 Ų102.182%0.81855%0.552SS**Hα-helixtrans-76.8-28-178.3-173.1170.44.100113.4K114 F115 G120K114-Q118 VanDerWaalsContact O-CB 3.24Å; K114-Q118 WeakPolarHBondContact O-CB 3.46Å; K114-Q118 PolarHBondContact O-N 2.96Å; F115-Q118 PolarHBondContact O-N 3.02Å; Q118-G120 VanDerWaalsContact C-N 3.33Å
119A65.8Low63.9Low51 Ų51104.6 Ų104.642%0.42155%0.554SS.*THydrogen-bonded Turntrans-85.5-3.4176.800000113.4F115 L121F115-A119 HydrophobicContact CE1-CB 4.39Å; F115-A119 HydrophobicContact CZ-CB 4.29Å; F115-A119 WeakPolarHBondContact O-CB 3.41Å; F115-A119 PolarHBondContact O-N 3.42Å; A119-L121 HydrophobicContact CB-CD1 3.89Å; A119-L121 HydrophobicContact CB-CG 3.85Å; A119-L121 PolarHBondContact O-N 3.02Å
120G60.1Low63.6Low51 Ų51108.8 Ų108.853%0.52657%0.57SS.*THydrogen-bonded Turntrans70.216.6-174.100000113.8E116 Q118 T122E116-G120 PolarHBondContact O-N 2.91Å; Q118-G120 VanDerWaalsContact C-N 3.33Å; G120-T122 PolarHBondContact O-N 3.02Å
121L63.5Low63.1Low117 Ų117108 Ų10861%0.61359%0.587SS**  trans-8528.2179.7-61.7175.1000112.2F115 E116 A119F115-L121 HydrophobicContact CE1-CD1 4.22Å; E116-L121 PolarHBondContact O-N 3.3Å; A119-L121 HydrophobicContact CB-CD1 3.89Å; A119-L121 HydrophobicContact CB-CG 3.85Å; A119-L121 PolarHBondContact O-N 3.02Å
122T60.4Low62.4Low60 Ų60108.7 Ų108.737%0.36859%0.59SS.*SBendtrans-74145.6166.649.30000109.7H117 G120 A124H117-T122 WeakPolarHBondContact ND1-CG2 3.4Å; G120-T122 PolarHBondContact O-N 3.02Å; T122-A124 PolarHBondContact O-N 3.26Å
123E56.7Low61.4Low144 Ų144109.6 Ų109.667%0.67360%0.6SS**SBendtrans-64.27.3-176.1-152.5170.5179.900114.3V125 T137E123-V125 PolarHBondContact O-N 3.15Å; E123-T137 PolarHBondContact OE1-OG1 2.98Å
124A59.2Low60.8Low85 Ų85107.9 Ų107.970%0.70260%0.603SS**SBendtrans-84.22.1-162.100000116.1T122T122-A124 PolarHBondContact O-N 3.26Å
125V52.9Low60.2Low129 Ų129109.3 Ų109.378%0.78261%0.611SS**SBendtrans-122.7-16.3-175.4-168.40000113.3E123 S127E123-V125 PolarHBondContact O-N 3.15Å; V125-S127 VanDerWaalsContact C-N 3.33Å; V125-S127 PolarHBondContact O-N 3.35Å
126Y47.9Very low59.4Low157 Ų157111.8 Ų111.862%0.61662%0.624SS**  trans-82.278.2176-162.3-100.2000111.3P128 H129Y126-P128 VanDerWaalsContact O-CD 3.25Å; Y126-P128 WeakPolarHBondContact O-CD 3.48Å; Y126-H129 PolarHBondContact OH-NE2 3.47Å
127S55Low58.5Low102 Ų102113.2 Ų113.271%0.71364%0.637SS**  trans-64.7115.9161.5-73.30000108.8V125V125-S127 VanDerWaalsContact C-N 3.33Å; V125-S127 PolarHBondContact O-N 3.35Å
128P56.4Low57.4Low52 Ų52115.3 Ų115.334%0.33865%0.647SS.*  trans-60.5141.9-179.3-22.834.5000111.2Y126 K130 L132 A134Y126-P128 VanDerWaalsContact O-CD 3.25Å; Y126-P128 WeakPolarHBondContact O-CD 3.48Å; P128-K130 PolarHBondContact O-N 3.4Å; P128-L132 HydrophobicContact CB-CB 4.29Å; P128-L132 WeakPolarHBondContact CB-O 3.33Å; P128-A134 HydrophobicContact CG-CB 4.15Å
129H54.2Low56.3Low132 Ų132114.7 Ų114.761%0.61164%0.642SS**  trans-58.7132.5171.3-45.6-40.9000108.6Y126 G131 L132Y126-H129 PolarHBondContact OH-NE2 3.47Å; H129-G131 PolarHBondContact O-N 3.05Å; H129-L132 PolarHBondContact O-N 3.14Å
130K60.8Low55.6Low224 Ų224120.5 Ų120.597%0.97466%0.66SS**THydrogen-bonded Turntrans-51.199.5-167.4-65.9-174.5178.9-175.40112P128P128-K130 PolarHBondContact O-N 3.4Å
131G57.8Low55.3Low76 Ų76127.8 Ų127.878%0.78467%0.672SS**THydrogen-bonded Turntrans148.1-18.8-175.800000115.4H129H129-G131 PolarHBondContact O-N 3.05Å
132L55.6Low54.8Low127 Ų127128.7 Ų128.767%0.66568%0.682SS**  trans-109116.9175.9-64.7175.4000111.4P128 H129P128-L132 HydrophobicContact CB-CB 4.29Å; P128-L132 WeakPolarHBondContact CB-O 3.33Å; H129-L132 PolarHBondContact O-N 3.14Å
133T50.8Low54Low117 Ų117131.5 Ų131.572%0.71870%0.703SS**  trans-86.2118.8179.141.40000111.3E135T133-E135 PolarHBondContact O-N 2.74Å
134A57.8Low53.5Low63 Ų63132.7 Ų132.752%0.52172%0.715SS.*THydrogen-bonded Turntrans-79.537.4-175.500000114.5P128P128-A134 HydrophobicContact CG-CB 4.15Å
135E59.8Low53Low146 Ų146131.7 Ų131.768%0.68271%0.713SS**THydrogen-bonded Turntrans-82.1-18.9-179.6-69.1-173119.200113.2T133 F139T133-E135 PolarHBondContact O-N 2.74Å; E135-F139 WeakPolarHBondContact O-CE2 3.47Å
136E56.6Low52.8Low170 Ų170135.3 Ų135.379%0.79472%0.718SS**G310 helixtrans-78.3-23.7-171.5-160.2168.3-166.100114.3Q138E136-Q138 PolarHBondContact O-N 2.79Å
137T54.4Low53.1Low87 Ų87135.4 Ų135.453%0.53473%0.728SS.*G310 helixtrans-78-12.2-177.744.80000115.1E123E123-T137 PolarHBondContact OE1-OG1 2.98Å
138Q49.8Very low52.7Low156 Ų156136 Ų13673%0.72973%0.729SS**G310 helixtrans-81-16.5-172.5-60.8-163.514.400114.9E136 H140E136-Q138 PolarHBondContact O-N 2.79Å; Q138-H140 PolarHBondContact O-N 2.85Å
139F47.7Very low52.3Low162 Ų162142.8 Ų142.871%0.71175%0.754SS**G310 helixtrans-69.3-3.7-169.4-70.8-75.8000116.4E135E135-F139 WeakPolarHBondContact O-CE2 3.47Å
140H50.8Low52.1Low174 Ų174144.1 Ų144.181%0.80676%0.764SS**G310 helixtrans-109.3-2.1-174.3-73.4-51.9000116.5Q138Q138-H140 PolarHBondContact O-N 2.85Å
141R52.3Low51.7Low204 Ų204143.1 Ų143.177%0.7775%0.754SS**SBendtrans-98-5.7-176.1-73.5-168.5176-155.8-3.4116.5
142V53.1Low51.4Low136 Ų136147.5 Ų147.582%0.82476%0.756SS**  trans-137.992.2175.5-171.50000111.4
143S44.8Very low51.1Low118 Ų118146 Ų14683%0.82575%0.754SS**  trans-13434.2173.575.40000113.1
144D46.8Very low50.6Low170 Ų170143.7 Ų143.791%0.90975%0.754SS**  trans-10386.1169.2-159.8-1.8000108.8
145G48Very low49.9Very low64 Ų64148.7 Ų148.766%0.6677%0.772SS**SBendtrans177.379.3-165.800000114.6
146K47.8Very low49.4Very low204 Ų204151.4 Ų151.489%0.88778%0.782SS**  trans39.891.7155.6-171.2-169.8177.3-174.10116.2
147L54.3Low48.8Very low160 Ų160153 Ų15384%0.83879%0.786SS**  trans-40.9126.8171.1-65.3170.8000113.1K149L147-K149 PolarHBondContact O-N 2.78Å; L147-K149 VanDerWaalsContact O-N 3.13Å
148P47.8Very low48.3Very low114 Ų114158 Ų15874%0.7480%0.804SS**  trans-66.4112.6165.827.4-31.8000108.7L150P148-L150 PolarHBondContact O-N 2.98Å
149K47.8Very low48.1Very low195 Ų195158.4 Ų158.485%0.84881%0.811SS**  trans-65.992.9-175.6-176-179.4-179.9179.90110.7L147 R151L147-K149 PolarHBondContact O-N 2.78Å; L147-K149 VanDerWaalsContact O-N 3.13Å; K149-R151 PolarHBondContact O-N 3.07Å
150L49.5Very low47.8Very low159 Ų159162 Ų16283%0.83282%0.82SS**  trans-60.899.1174-73.6174.2000110.3P148 M152P148-L150 PolarHBondContact O-N 2.98Å; L150-M152 PolarHBondContact O-N 3.04Å
151R53.6Low47.5Very low203 Ų203162 Ų16277%0.76683%0.825SS**  trans-79.598.1174.5171.6-114.1-178.9168.30.9108.9K149 P153K149-R151 PolarHBondContact O-N 3.07Å; R151-P153 VanDerWaalsContact O-CD 3.28Å; R151-P153 WeakPolarHBondContact O-CD 3.44Å
152M51.5Low46.6Very low168 Ų168157.7 Ų157.783%0.82883%0.826SS**  trans-63.9124.9164.7-60.4-57.5-69.900109.5L150L150-M152 PolarHBondContact O-N 3.04Å
153P48.4Very low46Very low95 Ų95158.5 Ų158.562%0.61783%0.831SS**  trans-99.1127.3167.88.412.6000110R151R151-P153 VanDerWaalsContact O-CD 3.28Å; R151-P153 WeakPolarHBondContact O-CD 3.44Å
154G39.9Very low45.6Very low70 Ų70158.6 Ų158.672%0.72283%0.832SS**  trans145.645.5167.200000118.6F156G154-F156 PolarHBondContact O-N 3.44Å
155D44.3Very low45.4Very low167 Ų167154.7 Ų154.789%0.89382%0.823SS**  trans-80.394.1158.3-78.6-52000109.2
156F47.6Very low44.9Very low204 Ų204160.5 Ų160.590%0.89583%0.833SS**  trans-134.8140.4166.8-84.9-77000112.1G154G154-F156 PolarHBondContact O-N 3.44Å
157K45.4Very low44.3Very low202 Ų202156.2 Ų156.288%0.87883%0.829SS**  trans-92.7123.3-176.3-70.3-90-166.11720110.1
158E43.5Very low43.8Very low194 Ų194155.1 Ų155.191%0.90783%0.829SS**  trans-168.8141.9137.445.4-162.815400112.7
159D45.1Very low43.7Very low163 Ų163155.9 Ų155.987%0.87283%0.834SS**  trans-76.5120.6170.2-80.5-67.6000110.3
160R41.1Very low43.1Very low237 Ų237152.3 Ų152.389%0.89483%0.834SS**  trans-160.6136.4138.5-115.8165.3-174.2-161-1114.7S162R160-S162 PolarHBondContact O-N 3.32Å
161L44.3Very low42.3Very low175 Ų175147.8 Ų147.892%0.91683%0.826SS**  trans-61.8126.5166.6-60.9169.1000109.1
162S34Very low41.6Very low114 Ų114144.9 Ų144.980%0.79783%0.831SS**  trans-147.3108.1171.1-78.80000110.6R160R160-S162 PolarHBondContact O-N 3.32Å
163T40.8Very low41.6Very low152 Ų152142.9 Ų142.993%0.93383%0.83SS**  trans-79.7117.2173.947.60000110.5
164S36.7Very low41.1Very low121 Ų121144.1 Ų144.185%0.84684%0.841SS**  trans-152.5152.9155.5-165.90000110.4
165A41.1Very low40.9Very low87 Ų87146.7 Ų146.772%0.71984%0.842SS**  trans-100.1-180173.400000111.1
166Q38.3Very low40.7Very low187 Ų187144.6 Ų144.687%0.87484%0.836SS**  trans70.5108.9161.1-173.3178.5-10.200118
167S35Very low40.7Very low114 Ų114140.3 Ų140.380%0.79783%0.828SS**  -173.2143.4111.136.30000112.5
168T43.7Very low40.6Very low137 Ų137136 Ų13684%0.8482%0.824SS**  trans-98.8142.6162.736.80000109.3
169P45.7Very low40.3Very low129 Ų129133.4 Ų133.484%0.83882%0.821SS**  trans-87.6129.1178.833-32.4000112.1
170S35.6Very low40.5Very low121 Ų121131.8 Ų131.885%0.84682%0.817SS**  trans-155.6117.3161.9-171.30000110.4
171G33.8Very low40.7Very low64 Ų64126 Ų12666%0.6681%0.81SS**  trans-98167.5158.100000109.2
172T38Very low40.8Very low142 Ų142123.1 Ų123.187%0.87181%0.805SS**  cis-146.3173.327.131.90000111.6
173P51.4Low41.1Very low126 Ų126124.2 Ų124.282%0.81881%0.806SS**  trans-98.2161.1-157.737.5-36.2000116.1
174S37.3Very low41.4Very low120 Ų120122.5 Ų122.584%0.83980%0.796SS**  trans-147.1118.3159.3-164.50000114.4
175V36.7Very low41.8Very low125 Ų125122.8 Ų122.876%0.75879%0.794SS**  trans-14.9111.4160.9-179.10000119
176T40.2Very low42Very low122 Ų122126.8 Ų126.875%0.74880%0.803SS**  trans37.3159.5137.3650000123.9
177P47.3Very low42Very low115 Ų115123.1 Ų123.175%0.74780%0.798SS**  cis-132.7155.8-12.333.5-14.4000116.7
178S43Very low42.1Very low112 Ų112122.9 Ų122.978%0.78380%0.797SS**  trans35.197.3141.9-177.50000121.4
179V37.8Very low42.3Very low138 Ų138122 Ų12284%0.83679%0.793SS**  -142.3129.7126177.20000108.6
180T48.3Very low42.3Very low130 Ų130120.9 Ų120.980%0.79880%0.795SS**  trans-93.1144.2165.136.80000110.3
181P46Very low42.8Very low115 Ų115121.9 Ų121.975%0.74780%0.796SS**  -131.2156.3104.837.2-30.8000113.6
182S45.5Very low43.4Very low115 Ų115125.9 Ų125.980%0.80480%0.802SS**  trans-74.8139.8176.544.40000112.6
183V41.1Very low43.7Very low136 Ų136129.9 Ų129.982%0.82480%0.801SS**  trans-132.1108.2164.6-170.80000109.3
184T47.8Very low43.9Very low117 Ų117135.1 Ų135.172%0.71880%0.804SS**  trans-69.7138.9172.3-47.90000109.5L186T184-L186 PolarHBondContact O-N 3.33Å
185P43.5Very low44.3Very low126 Ų126137 Ų13782%0.81881%0.805SS**  trans-65.6107.7175.126.7-34.2000110.4
186L46Very low44.9Very low171 Ų171141.4 Ų141.490%0.89581%0.808SS**PPolyproline II helixtrans-81.9138.3-179.6-162.870.8000111T184T184-L186 PolarHBondContact O-N 3.33Å
187S38.9Very low45.2Very low111 Ų111144.5 Ų144.578%0.77681%0.812SS**PPolyproline II helixtrans-71.8157.2-177.2-1650000113.4
188S37Very low44.7Very low109 Ų109148 Ų14876%0.76282%0.818SS**PPolyproline II helixtrans-63.3136.9-172.9-50.90000114.4
189P48.1Very low44.6Very low118 Ų118150.6 Ų150.677%0.76682%0.822SS**PPolyproline II helixtrans-72.2130.6164.4-1429.4000111.3V191P189-V191 PolarHBondContact O-N 3.1Å
190A44.1Very low44.5Very low106 Ų106149.8 Ų149.888%0.87682%0.823SS**PPolyproline II helixtrans-76.3118.2173.500000111N192A190-N192 PolarHBondContact O-N 3.28Å
191V47.8Very low44.3Very low142 Ų142149.6 Ų149.686%0.86182%0.823SS**PPolyproline II helixtrans-81.8118.2-180-174.60000110.5P189P189-V191 PolarHBondContact O-N 3.1Å
192N45.1Very low44Very low148 Ų148149.4 Ų149.479%0.79182%0.821SS**PPolyproline II helixtrans-70.2140-178.2-168.1-5.1000112.1A190 R194A190-N192 PolarHBondContact O-N 3.28Å; N192-R194 PolarHBondContact O-N 3.41Å
193R45.8Very low43.7Very low226 Ų226151.6 Ų151.685%0.85382%0.818SS**  trans-77.9109.8-178-70.4-178.1178-99.82.1111.4N195R193-N195 PolarHBondContact O-N 3.13Å
194R54.4Low43.4Very low236 Ų236155.9 Ų155.989%0.89182%0.821SS**  trans-81.399.5166.9-71.8179.4173153.4-2110.3N192N192-R194 PolarHBondContact O-N 3.41Å
195N46.6Very low42.8Very low160 Ų160157.1 Ų157.186%0.85682%0.821SS**  trans-72.7132.3165.3-95.3-8.6000109.6R193R193-N195 PolarHBondContact O-N 3.13Å
196W47.8Very low42.2Very low216 Ų216157 Ų15782%0.81882%0.819SS**  trans-107.6-2-172.9-163.2-90.8000114.6
197F46.8Very low41.4Very low188 Ų188153.6 Ų153.683%0.82582%0.815SS**  trans-127.875.7-170.7-63.8-68.9000114.1
198Q37.2Very low41.8Very low187 Ų187154 Ų15487%0.87482%0.815SS**  trans-144.8108.1155.9-71.8-166.6-14.700109.7
199L41.3Very low41.9Very low168 Ų168157.2 Ų157.288%0.8882%0.818SS**  trans-141.192.9173-75.5178.9000110
200S35.4Very low41.9Very low121 Ų121156 Ų15685%0.84681%0.81SS**  trans-148.3103171.6-650000111
201P44.5Very low41.5Very low125 Ų125157.8 Ų157.881%0.81280%0.804SS**  trans-105.3150.1171.5417.8000113.2
202T39.9Very low41.1Very low112 Ų112162.2 Ų162.269%0.68781%0.805SS**  trans-154.1168.8-177.958.10000110.8
203H38.9Very low41.2Very low160 Ų160160.6 Ų160.674%0.74180%0.802SS**  cis-140.2138.2-0.9-48.6-110.1000109.8
204Y34Very low41Very low227 Ų227157.5 Ų157.589%0.8980%0.803SS**  trans-160.6152.5165.1-73.1-53.8000110.5
205I35.9Very low40.9Very low142 Ų142152 Ų15273%0.72880%0.797SS**  cis-161159.4-32.8-153.7174.2000109.3
206T30.9Very low40.6Very low125 Ų125151.1 Ų151.177%0.76779%0.793SS**  trans56.3107163-57.80000120.4
207A30Very low40.7Very low98 Ų98147.1 Ų147.181%0.8179%0.792SS**  -177.1154.212700000110.8
208P46.5Very low40.5Very low121 Ų121143.8 Ų143.879%0.78678%0.783SS**  trans-108.7153.8-165.939.5-34.5000117.9
209E38.7Very low41Very low175 Ų175143.5 Ų143.582%0.81878%0.784SS**  trans23.9156.3138.3-81.3-85.6130.400122.2
210P47.7Very low41.1Very low94 Ų94138.7 Ų138.761%0.6178%0.775SS**  cis-141.9-167.418.932-6.6000117.5
211I36.4Very low41.3Very low143 Ų143136.6 Ų136.673%0.73377%0.772SS**  trans88.1100.1162.3-50.5168.6000114.8
212R38.5Very low41.2Very low234 Ų234137.5 Ų137.588%0.88377%0.77SS**  72.1145.767.1-77.7-173.3171.7166.5-1.8116.2
213P48.7Very low41.7Very low114 Ų114140.5 Ų140.574%0.7478%0.776SS**  cis-138.3166.6-43.539.4-22.6000113.9
214D40.8Very low41.9Very low161 Ų161136.4 Ų136.486%0.86178%0.778SS**  trans-77.4147.8171-58.8-69.1000113.8
215P51.9Low42.3Very low120 Ų120129.6 Ų129.678%0.77978%0.776SS**  trans-104.2110.8156.533.7-24.7000111.6
216N40.3Very low42.6Very low142 Ų142126.9 Ų126.976%0.75978%0.783SS**  trans-64.5137.9171.6178.72.4000111.7D218N216-D218 PolarHBondContact OD1-N 3.36Å; N216-D218 VanDerWaalsContact OD1-N 3.16Å
217V51.3Low43.1Very low132 Ų132124.4 Ų124.480%0.878%0.783SS**  trans-124.699159.2179.10000109.1
218D42.5Very low43.7Very low119 Ų119124 Ų12464%0.63679%0.787SS**  trans-67.3133.3168.4166.229.8000110.6N216 G220N216-D218 PolarHBondContact OD1-N 3.36Å; N216-D218 VanDerWaalsContact OD1-N 3.16Å; D218-G220 PolarHBondContact OD1-N 3.08Å
219M47Very low43.9Very low180 Ų180121.7 Ų121.789%0.88779%0.786SS**  trans-144.770.4158.7-82.5-56.7-64.500111
220G43.8Very low44.3Very low67 Ų67120.4 Ų120.469%0.69178%0.784SS**  trans90.8110146.200000116.7D218D218-G220 PolarHBondContact OD1-N 3.08Å
221G39.8Very low44.6Very low77 Ų77123.3 Ų123.379%0.79480%0.795SS**  trans-93161.8165.100000113.4
222N42.8Very low45.8Very low144 Ų144123.4 Ų123.477%0.7779%0.79SS**  -138.9159.6119.159.664.6000109.2
223E49.1Very low46Very low176 Ų176121.9 Ų121.982%0.82278%0.784SS**  trans-77145.8172.452.8-85.392.600111.6
224G44.2Very low46.4Very low74 Ų74123.7 Ų123.776%0.76379%0.787SS**  cis159.9-170.3-2.600000111.3
225G41.5Very low46.9Very low84 Ų84123 Ų12387%0.86678%0.777SS**  trans89.393.8163.800000116.7
226G42.9Very low47Very low84 Ų84126.3 Ų126.387%0.86678%0.779SS**  trans84.6135.417400000112.8
227G40.9Very low47.3Very low74 Ų74123.1 Ų123.176%0.76378%0.781SS**  cis119.5125.619.300000108.2G229G227-G229 PolarHBondContact O-N 3.41Å
228G42.2Very low47.1Very low88 Ų88123.9 Ų123.991%0.90779%0.785SS**SBendtrans-53.8133.6-170.200000113.5
229G50.8Low47.4Very low74 Ų74130 Ų13076%0.76380%0.8SS**  trans-70.2153.1-16300000116.3G227G227-G229 PolarHBondContact O-N 3.41Å
230L47.6Very low47.4Very low147 Ų147127.3 Ų127.377%0.7780%0.799SS**  trans-150.257.2167.2-169.659.1000111.7K232L230-K232 HydrophobicContact CD1-CB 4.33Å; L230-K232 PolarHBondContact O-N 3.2Å
231D54.4Low47.4Very low156 Ų156130.2 Ų130.283%0.83480%0.803SS**  trans-76.144.7174.7-67.6-51.8000113.2
232K61.1Low47.6Very low145 Ų145132.2 Ų132.263%0.6380%0.799SS**SBendtrans-120.9110.2178.1-163.6-175.1-179.3-177.80108.8L230L230-K232 HydrophobicContact CD1-CB 4.33Å; L230-K232 PolarHBondContact O-N 3.2Å
233W41.7Very low47.3Very low202 Ų202134 Ų13477%0.76580%0.803SS**  trans83.657.4179.9-47.6111.6000117.7F235W233-F235 PolarHBondContact O-N 2.94Å
234N58Low47.1Very low151 Ų151134.5 Ų134.581%0.80780%0.802SS**  trans-76.399.8152.6-81.5-59.2000109.7
235F52.1Low47.1Very low148 Ų148136.5 Ų136.565%0.64981%0.805SS**  trans-104.9145.2173.3-130.3-96000109.6W233W233-F235 PolarHBondContact O-N 2.94Å
236F52.2Low47.2Very low188 Ų188138 Ų13883%0.82580%0.799SS**  trans69.464.8-177.3-48.4-70.5000116.6
237G46.6Very low47.1Very low76 Ų76140.2 Ų140.278%0.78480%0.796SS**PPolyproline II helixtrans-63.2152.2156.100000112.3
238T48.7Very low46.9Very low147 Ų147143.4 Ų143.490%0.90280%0.796SS**PPolyproline II helixtrans-69.8147.4-172.544.20000113.7
239R48.6Very low47.1Very low247 Ų247144.3 Ų144.393%0.93279%0.785SS**PPolyproline II helixtrans-77.7130176.2-64.7177.9-178.8-1052.2110.3
240S46.8Very low46.8Very low124 Ų124144.6 Ų144.687%0.86779%0.788SS**PPolyproline II helixtrans-92.5161.3167.3-165.90000111.6
241V43.4Very low46.4Very low128 Ų128142.9 Ų142.978%0.77679%0.788SS**PPolyproline II helixtrans-90144.1-160.8174.80000113.2
242V43.9Very low46.4Very low119 Ų119143.6 Ų143.672%0.72179%0.787SS**PPolyproline II helixtrans-73.8127174175.50000110.9
243H37Very low45.8Very low183 Ų183143.4 Ų143.485%0.84780%0.798SS**  trans-130.4159.7161.1-110.8-103.9000111.4
244K45.1Very low46Very low185 Ų185138.4 Ų138.480%0.80479%0.794SS**  trans-114.4151.7-159.8-55.7-176-177.3-178.10112.9
245S42.7Very low45.4Very low117 Ų117137.3 Ų137.382%0.81879%0.793SS**  trans-69.1143.317553.20000113.3
246P45.5Very low45.2Very low114 Ų114133.2 Ų133.274%0.7479%0.792SS**  -142.6148.1123.136.2-22.2000115.6
247T39.1Very low45.1Very low132 Ų132134.3 Ų134.381%0.8180%0.797SS**  trans28.6113143-42.20000121.7
248D37.3Very low45.2Very low141 Ų141135.5 Ų135.575%0.75479%0.793SS**  16.9148.7127.6-153.955.3000121.2
249P46.5Very low45.5Very low107 Ų107136.5 Ų136.570%0.69579%0.793SS**  cis-124.5156.6-2.718.15.8000116.6
250G44Very low45.7Very low80 Ų80131.3 Ų131.383%0.82578%0.779SS**  trans68.594.7142.400000120.7
251S40.3Very low46.1Very low110 Ų110129.7 Ų129.777%0.76977%0.768SS**  trans-157.2100.9142.9-155.10000113.6T253S251-T253 PolarHBondContact O-N 3.14Å
252E54.2Low46Very low171 Ų171131.9 Ų131.980%0.79976%0.763SS**  trans17.871.7147.4-57.6-53.7136.800119.7
253T48.6Very low46.5Very low141 Ų141135.3 Ų135.387%0.86577%0.769SS**  trans-129.378.1149.436.80000109.8S251S251-T253 PolarHBondContact O-N 3.14Å
254S44.9Very low47.4Very low98 Ų98129.9 Ų129.969%0.68576%0.763SS**  trans-71.9158.5178.166.20000111.4
255T46.9Very low47.5Very low127 Ų127128 Ų12878%0.77976%0.76SS**  cis-134.2124.511.9-58.30000110.8
256G46.3Very low48.1Very low62 Ų62131.9 Ų131.964%0.63977%0.765SS**  trans-78.7179.9172.400000113.6S258G256-S258 PolarHBondContact O-N 2.81Å
257F51.6Low48.5Very low211 Ų211136 Ų13693%0.92577%0.772SS**  trans-51.1107.5-179-65.2-93.2000113.2L259F257-L259 PolarHBondContact O-N 3.08Å; F257-L259 VanDerWaalsContact O-N 3.13Å
258S47.1Very low48.9Very low101 Ų101135 Ų13571%0.70677%0.771SS**  trans-73.1103.8170.4-172.70000109.8G256 Q260G256-S258 PolarHBondContact O-N 2.81Å; S258-Q260 PolarHBondContact O-N 3.13Å
259L56.6Low49.4Very low169 Ų169132.9 Ų132.989%0.88577%0.766SS**  trans-67.596.5162.1-74172.6000108.1F257 S261F257-L259 PolarHBondContact O-N 3.08Å; F257-L259 VanDerWaalsContact O-N 3.13Å; L259-S261 PolarHBondContact O-N 3.3Å
260Q51.8Low49.8Very low137 Ų137134.8 Ų134.864%0.6478%0.776SS**  trans-61.5113.9172.1-82-158.2-20.600110S258 Y262S258-Q260 PolarHBondContact O-N 3.13Å; Q260-Y262 HydrophobicContact CB-CD2 3.98Å; Q260-Y262 HydrophobicContact CB-CE2 3.89Å; Q260-Y262 PolarHBondContact O-N 2.89Å
261S54.5Low50Low91 Ų91137.7 Ų137.764%0.63677%0.77SS**  trans-71.390.9173.6-168.70000109.3L259 F263L259-S261 PolarHBondContact O-N 3.3Å; S261-F263 PolarHBondContact O-N 3.18Å; S261-F263 WeakPolarHBondContact OG-CD2 3.48Å; S261-F263 WeakPolarHBondContact OG-CE2 3.47Å
262Y41.3Very low50.2Low174 Ų174139.8 Ų139.868%0.68277%0.773SS**  trans-71.770.1179.8-95.7-89.2000112.1Q260 G264Q260-Y262 HydrophobicContact CB-CD2 3.98Å; Q260-Y262 HydrophobicContact CB-CE2 3.89Å; Q260-Y262 PolarHBondContact O-N 2.89Å; Y262-G264 PolarHBondContact O-N 3.01Å
263F54.6Low50.2Low190 Ų190135.3 Ų135.383%0.83377%0.772SS**  trans-68.6105.9161.6-85.6-83.8000109.6S261S261-F263 PolarHBondContact O-N 3.18Å; S261-F263 WeakPolarHBondContact OG-CD2 3.48Å; S261-F263 WeakPolarHBondContact OG-CE2 3.47Å
264G57.2Low50.3Low70 Ų70135.2 Ų135.272%0.72277%0.772SS**  trans89.967.1161.200000117Y262Y262-G264 PolarHBondContact O-N 3.01Å
265L47.3Very low50.1Low145 Ų145138 Ų13876%0.75978%0.779SS**  trans-107.4129.6144-118.776000108.8K267L265-K267 PolarHBondContact O-N 2.97Å
266Q54.3Low50Low198 Ų198137.4 Ų137.493%0.92578%0.775SS**  trans-71.7131.7-178.3-69.3-155.7-42.100111.4S268Q266-S268 PolarHBondContact O-N 2.84Å
267K53.3Low49.9Very low200 Ų200143.2 Ų143.287%0.8779%0.786SS**  trans-73123.1170.3-64.4-179.3179.8-1800108.8L265 S269L265-K267 PolarHBondContact O-N 2.97Å; K267-S269 VanDerWaalsContact C-N 3.3Å; K267-S269 PolarHBondContact O-N 3.05Å
268S49Very low49.3Very low113 Ų113140.1 Ų140.179%0.7978%0.777SS**  trans-66.288.9166.535.60000109.6Q266 T270Q266-S268 PolarHBondContact O-N 2.84Å; S268-T270 PolarHBondContact O-N 2.88Å
269S46.5Very low48.8Very low95 Ų95139.7 Ų139.766%0.66478%0.775SS**  trans-74.988.3-178.9-174.90000110.9K267 M271K267-S269 VanDerWaalsContact C-N 3.3Å; K267-S269 PolarHBondContact O-N 3.05Å; S269-M271 PolarHBondContact O-N 3.01Å
270T54.6Low48.2Very low147 Ų147140.3 Ų140.390%0.90277%0.773SS**  trans-73.972.7173.3-49.70000110.7S268S268-T270 PolarHBondContact O-N 2.88Å
271M49Very low47.4Very low141 Ų141142.3 Ų142.370%0.69578%0.779SS**  trans-154.5100.9175.4-171.8170.576.600111.2S269S269-M271 PolarHBondContact O-N 3.01Å
272D44.7Very low47.1Very low155 Ų155144.2 Ų144.283%0.82979%0.787SS**  168.5136.3127.9-87.8-30.1000109.4
273G54.5Low46.8Very low76 Ų76143.8 Ų143.878%0.78479%0.791SS**  trans-173.32.4-170.100000118.7
274T50Low46Very low139 Ų139142.2 Ų142.285%0.85379%0.787SS**  trans-143.798.817452.10000111.1
275N41.5Very low45.5Very low157 Ų157145.6 Ų145.684%0.8480%0.796SS**  trans-123.783169.8-167.1-17.5000109.8
276T44.8Very low45.8Very low115 Ų115141.6 Ų141.671%0.70678%0.783SS**  trans-86.9105.8172.536.10000109.9I278T276-I278 PolarHBondContact O-N 3.26Å
277Q43Very low45.6Very low183 Ų183141.5 Ų141.586%0.85578%0.78SS**  trans-72.287.8176.4-173.3-178.673.100110.6S279Q277-S279 PolarHBondContact O-N 2.91Å
278I38.9Very low45.4Very low146 Ų146142.4 Ų142.475%0.74978%0.784SS**  trans-77.293.1178-55.3176.9000109.3T276 Q280T276-I278 PolarHBondContact O-N 3.26Å; I278-Q280 PolarHBondContact O-N 3.2Å
279S37.2Very low46Very low93 Ų93144.3 Ų144.365%0.6578%0.783SS**  trans-65.5103165.8-174.50000108.8Q277 K281Q277-S279 PolarHBondContact O-N 2.91Å; S279-K281 PolarHBondContact O-N 2.91Å
280Q43.3Very low45.9Very low182 Ų182144.7 Ų144.785%0.8578%0.783SS**  trans-70.697.8-173.8-167.7177.214.400110.8I278I278-Q280 PolarHBondContact O-N 3.2Å
281K36Very low45.6Very low178 Ų178143.3 Ų143.377%0.77478%0.776SS**  trans-114.2138.8164.4-60.2-61179.7-176.50108.5S279S279-K281 PolarHBondContact O-N 2.91Å
282V47.5Very low45.5Very low131 Ų131145.7 Ų145.779%0.79478%0.783SS**  trans-69.3133.2-179.3179.80000109.3
283E35.1Very low46.1Very low166 Ų166145.4 Ų145.478%0.77678%0.78SS**  -173.5155.3126.9-144.852.4-136.600112.1
284E37.8Very low45.6Very low157 Ų157150 Ų15073%0.73478%0.781SS**  trans36.4121159.4-148.3174.7-15400123A286E284-A286 HydrophobicContact CG-CB 4.39Å; E284-A286 PolarHBondContact O-N 3.11Å; E284-A286 VanDerWaalsContact O-N 3.16Å
285P48.2Very low45.5Very low140 Ų140150.1 Ų150.191%0.90978%0.775SS**  trans-88.566.6175.137.5-35.9000113.5
286A52Low45.4Very low61 Ų61147.4 Ų147.450%0.50477%0.768SS.*  trans-133.7136.9177.200000113.6E284E284-A286 HydrophobicContact CG-CB 4.39Å; E284-A286 PolarHBondContact O-N 3.11Å; E284-A286 VanDerWaalsContact O-N 3.16Å
287K50.4Low45.3Very low196 Ų196149.9 Ų149.985%0.85278%0.777SS**  trans67.159.8172.3-51.5167.9-172.4161.40116.4M289K287-M289 PolarHBondContact O-N 3.07Å
288F50.5Low45.4Very low220 Ų220146.1 Ų146.197%0.96577%0.766SS**  trans-64.2102.6153.3-107.5-88.7000109.7
289M59.8Low45.8Very low153 Ų153148.8 Ų148.875%0.75478%0.776SS**PPolyproline II helixtrans-79.2146165.3-67.6-105.775.400109.2K287K287-M289 PolarHBondContact O-N 3.07Å
290P45.9Very low45.9Very low102 Ų102147.6 Ų147.666%0.66277%0.767SS**PPolyproline II helixtrans-66.1145173.929-33.7000110.3K292P290-K292 PolarHBondContact O-N 2.85Å
291P47.9Very low46.2Very low118 Ų118148.8 Ų148.877%0.76677%0.77SS**PPolyproline II helixtrans-62.8128179.226.1-33.9000110.4I293P291-I293 PolarHBondContact O-N 3.02Å
292K46.2Very low46.8Very low192 Ų192151 Ų15184%0.83577%0.773SS**  trans-70.6115.3170.1-75.1-179.6177.5176.90108.6P290 E294P290-K292 PolarHBondContact O-N 2.85Å; K292-E294 PolarHBondContact O-N 2.99Å
293I57.6Low47Very low148 Ų148151 Ų15176%0.75977%0.773SS**  trans-81.699.5171.5-55173.6000106.8P291 I295P291-I293 PolarHBondContact O-N 3.02Å; I293-I295 HydrophobicContact CG2-CG1 4.26Å; I293-I295 PolarHBondContact O-N 2.78Å
294E44.7Very low47.9Very low174 Ų174147.6 Ų147.681%0.81377%0.768SS**  trans-75.7110.5171-67.3-173.3166.600108.7K292K292-E294 PolarHBondContact O-N 2.99Å
295I46.5Very low48.8Very low141 Ų141145.5 Ų145.572%0.72377%0.768SS**  trans-88.6110.4178.2-55.1174000107I293 D297I293-I295 HydrophobicContact CG2-CG1 4.26Å; I293-I295 PolarHBondContact O-N 2.78Å; I295-D297 PolarHBondContact O-N 3.44Å; I295-D297 VanDerWaalsContact O-N 3.13Å
296S39.2Very low49.7Very low99 Ų99148.3 Ų148.369%0.69276%0.76SS**  trans-64.5111.9172.3-51.10000110T298S296-T298 PolarHBondContact O-N 3.46Å
297D43.7Very low50.4Low167 Ų167150.7 Ų150.789%0.89377%0.77SS**  trans-66.384.3170.6-95.6-31.9000109.8I295 E299I295-D297 PolarHBondContact O-N 3.44Å; I295-D297 VanDerWaalsContact O-N 3.13Å; D297-E299 PolarHBondContact O-N 2.89Å
298T44.4Very low51.4Low104 Ų104149 Ų14964%0.63877%0.765SS**  trans-78.397.4172.436.30000108.4S296 S300S296-T298 PolarHBondContact O-N 3.46Å; T298-S300 VanDerWaalsContact C-N 3.35Å; T298-S300 PolarHBondContact O-N 3.5Å; T298-S300 PolarHBondContact O-OG 3.33Å
299E46.8Very low52.6Low203 Ų203147.2 Ų147.295%0.94976%0.757SS**  trans-51.6100.3171.5-171.7-169.816500109.3D297D297-E299 PolarHBondContact O-N 2.89Å
300S39.9Very low53.6Low67 Ų67143.9 Ų143.947%0.46974%0.742SS.*  trans-145.3110.7-177.852.30000107.2T298 R302T298-S300 VanDerWaalsContact C-N 3.35Å; T298-S300 PolarHBondContact O-N 3.5Å; T298-S300 PolarHBondContact O-OG 3.33Å; S300-R302 PolarHBondContact O-N 3.35Å
301K50.6Low55.5Low208 Ų208145.5 Ų145.590%0.90474%0.739SS**  trans-59.486175-179.3-178.7-179.1176.60108.9V303K301-V303 PolarHBondContact O-N 3.3Å
302R48.4Very low57Low224 Ų224145.5 Ų145.585%0.84574%0.739SS**  trans-60.997.2-174.5-71-168.6-177.5-177.43.1109.8S300 S304S300-R302 PolarHBondContact O-N 3.35Å; R302-S304 PolarHBondContact O-N 3.42Å; R302-S304 VanDerWaalsContact O-N 3.14Å
303V50.8Low58.5Low131 Ų131147 Ų14779%0.79474%0.739SS**  trans-55.7118.1161.2177.30000105.9K301K301-V303 PolarHBondContact O-N 3.3Å
304S53.9Low59.7Low94 Ų94143 Ų14366%0.65772%0.719SS**  trans-56.7131.4176.644.80000108.7R302 R306R302-S304 PolarHBondContact O-N 3.42Å; R302-S304 VanDerWaalsContact O-N 3.14Å; S304-R306 PolarHBondContact O-N 2.83Å
305P56.4Low61.4Low113 Ų113139.3 Ų139.373%0.73470%0.703SS**  trans-58.2114.3-179.323-32.4000108.1
306R66.9Low62.8Low199 Ų199138.5 Ų138.575%0.75170%0.7SS**PPolyproline II helixtrans-57.6126.5-171.9-173179.5-166.5165.47.6108.2S304 H308S304-R306 PolarHBondContact O-N 2.83Å; R306-H308 PolarHBondContact O-N 3.19Å; R306-H308 VanDerWaalsContact O-N 3.08Å
307P67.5Low64.5Low111 Ų111139.6 Ų139.672%0.72170%0.702SS**PPolyproline II helixtrans-54.6121.9-174.820-32.5000110K309P307-K309 PolarHBondContact O-N 2.96Å
308H71.1Confident66.2Low161 Ų161137.1 Ų137.175%0.74569%0.689SS**PPolyproline II helixtrans-61.4126.3-174.9-61.7-82.3000109.2R306 L310R306-H308 PolarHBondContact O-N 3.19Å; R306-H308 VanDerWaalsContact O-N 3.08Å; H308-L310 HydrophobicContact CB-CG 4.32Å; H308-L310 PolarHBondContact O-N 2.81Å
309K76.7Confident67.9Low182 Ų182136.5 Ų136.579%0.79169%0.685SS**  trans-77.248.8-177.4-68.3-172174.8-175.20112.7P307 K311P307-K309 PolarHBondContact O-N 2.96Å; K309-K311 PolarHBondContact O-N 3.03Å
310L79.7Confident69.2Low83 Ų83132.7 Ų132.744%0.43568%0.678SS.*  trans-58.1132.6170-60.8176.9000108.8H308 D314 M315 L318H308-L310 HydrophobicContact CB-CG 4.32Å; H308-L310 PolarHBondContact O-N 2.81Å; L310-D314 HydrophobicContact CB-CB 4.43Å; L310-D314 HydrophobicContact CD2-CB 4.39Å; L310-M315 HydrophobicContact CB-SD 4.46Å; L310-M315 HydrophobicContact CD1-SD 4.39Å; L310-L318 HydrophobicContact CD1-CD1 3.66Å; L310-L318 HydrophobicContact CD1-CG 4.35Å
311K87.5Confident70.6Confident137 Ų137134.4 Ų134.460%0.59669%0.69SS**  trans-77.5158.5171.1-57.4-61.8-173.6168.60109.3K309 R313 D314K309-K311 PolarHBondContact O-N 3.03Å; K311-R313 PolarHBondContact O-N 3.47Å; K311-D314 VanDerWaalsContact CB-OD2 3.29Å; K311-D314 WeakPolarHBondContact CB-OD2 3.29Å; K311-D314 WeakPolarHBondContact CG-OD2 3.47Å; K311-D314 PolarHBondContact N-OD2 3.27Å; K311-D314 WeakPolarHBondContact O-CB 3.36Å; K311-D314 PolarHBondContact O-N 3.43Å
312P79.1Confident71.5Confident118 Ų118128.3 Ų128.377%0.76669%0.685SS**THydrogen-bonded Turntrans-55.3-23.7174.3-28.336.4000114.7
313R77.7Confident71.5Confident224 Ų224130.2 Ų130.285%0.84570%0.7SS**THydrogen-bonded Turntrans-77-24.6174.2-65.4-178.3-179.8143.31113.6K311 M315K311-R313 PolarHBondContact O-N 3.47Å; R313-M315 VanDerWaalsContact C-N 3.35Å
314D81.9Confident72.5Confident63 Ų63130.2 Ų130.234%0.33770%0.696SS.*G310 helixtrans-86.6-11.8-173.7-44.2-19.1000111.4L310 K311 N316 V317L310-D314 HydrophobicContact CB-CB 4.43Å; L310-D314 HydrophobicContact CD2-CB 4.39Å; K311-D314 VanDerWaalsContact CB-OD2 3.29Å; K311-D314 WeakPolarHBondContact CB-OD2 3.29Å; K311-D314 WeakPolarHBondContact CG-OD2 3.47Å; K311-D314 PolarHBondContact N-OD2 3.27Å; K311-D314 WeakPolarHBondContact O-CB 3.36Å; K311-D314 PolarHBondContact O-N 3.43Å; D314-N316 PolarHBondContact O-N 3.05Å; D314-V317 VanDerWaalsContact O-CB 3.28Å; D314-V317 WeakPolarHBondContact O-CB 3.48Å; D314-V317 WeakPolarHBondContact O-CG2 3.28Å; D314-V317 PolarHBondContact O-N 3.43Å
315M81.2Confident73.5Confident96 Ų96132.1 Ų132.147%0.47370%0.698SS.*G310 helixtrans-58.6-29.2177.7-67.7-57.1-56.500112.9L310 R313 V317 L318L310-M315 HydrophobicContact CB-SD 4.46Å; L310-M315 HydrophobicContact CD1-SD 4.39Å; R313-M315 VanDerWaalsContact C-N 3.35Å; M315-V317 PolarHBondContact O-N 3.03Å; M315-L318 HydrophobicContact CE-CD1 4.17Å; M315-L318 WeakPolarHBondContact O-CB 3.41Å; M315-L318 PolarHBondContact O-N 3.13Å
316N76.1Confident74.4Confident124 Ų124133.1 Ų133.166%0.66370%0.696SS**G310 helixtrans-68.8-8.9176.7-62.95.9000113.2D314 L318 T319D314-N316 PolarHBondContact O-N 3.05Å; N316-L318 VanDerWaalsContact C-N 3.34Å; N316-T319 WeakPolarHBondContact CA-OG1 3.28Å; N316-T319 PolarHBondContact O-OG1 2.91Å
317V74.8Confident74.9Confident123 Ų123129.2 Ų129.275%0.74569%0.692SS**G310 helixtrans-80.7-18.3170.6-172.80000111.3D314 M315D314-V317 VanDerWaalsContact O-CB 3.28Å; D314-V317 WeakPolarHBondContact O-CB 3.48Å; D314-V317 WeakPolarHBondContact O-CG2 3.28Å; D314-V317 PolarHBondContact O-N 3.43Å; M315-V317 PolarHBondContact O-N 3.03Å
318L78.3Confident75.3Confident115 Ų115130.4 Ų130.460%0.60269%0.691SS**THydrogen-bonded Turntrans-95.1-17.3178.1-58.8-175.1000113.7L310 M315 N316 P320L310-L318 HydrophobicContact CD1-CD1 3.66Å; L310-L318 HydrophobicContact CD1-CG 4.35Å; M315-L318 HydrophobicContact CE-CD1 4.17Å; M315-L318 WeakPolarHBondContact O-CB 3.41Å; M315-L318 PolarHBondContact O-N 3.13Å; N316-L318 VanDerWaalsContact C-N 3.34Å; L318-P320 WeakPolarHBondContact O-CD 3.38Å
319T80.1Confident75.6Confident90 Ų90128.3 Ų128.355%0.55269%0.687SS**SBendtrans-69.4119.9168.540.80000109.2N316 S321N316-T319 WeakPolarHBondContact CA-OG1 3.28Å; N316-T319 PolarHBondContact O-OG1 2.91Å; T319-S321 PolarHBondContact O-N 3.16Å; T319-S321 VanDerWaalsContact O-N 3.11Å
320P75.3Confident75.5Confident124 Ų124124.5 Ų124.581%0.80568%0.679SS**  trans-63.7117177.325.9-32.7000109.4L318 G322L318-P320 WeakPolarHBondContact O-CD 3.38Å; P320-G322 PolarHBondContact O-N 3.01Å
321S69.5Low75.2Confident103 Ų103127.7 Ų127.772%0.7270%0.698SS**  trans-65.3102.1173.5173.40000109.1T319 F323T319-S321 PolarHBondContact O-N 3.16Å; T319-S321 VanDerWaalsContact O-N 3.11Å; S321-F323 PolarHBondContact O-N 3.07Å
322G69.8Low74.2Confident79 Ų79126.9 Ų126.981%0.81471%0.707SS**  trans-66.7103.7178.800000112P320P320-G322 PolarHBondContact O-N 3.01Å
323F46.6Very low73.7Confident264 Ų264127.7 Ų127.7100%1.15870%0.701SS**  trans-1450172.2-108.3-71.5000108.7S321S321-F323 PolarHBondContact O-N 3.07Å

Retrieved 323 of 323 residues in 225.6 ms (Link to these results)