A0A087X9W3_POEFO Loading...

Yes1 associated transcriptional regulator

AlphaFold DB , UniProt , Accession A0A087X9W3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 445 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
1M40.8Very low46.5Very low249 Ų249142.8 Ų142.8100%1.22783%0.827SS**  0110.60-78.4171.4167.200106.6
2D37.2Very low46.5Very low153 Ų153142.8 Ų142.882%0.81881%0.813SS**  trans-132.5114.2172.1-137.9-38.4000106.7N4D2-N4 PolarHBondContact O-N 3.25Å
3P49.8Very low46.8Very low123 Ų123145.6 Ų145.680%0.79982%0.815SS**  trans-9742.7-165.237.8-35.8000113.3
4N46.7Very low47.7Very low144 Ų144143.7 Ų143.777%0.7780%0.8SS**  trans-137.861.6-173.2-122-16.6000113.9D2D2-N4 PolarHBondContact O-N 3.25Å
5Q48Very low48.3Very low198 Ų198141.3 Ų141.393%0.92579%0.79SS**  trans-125.1128.4163-101.8178.511.500111.6
6H46.3Very low48.6Very low177 Ų177142.9 Ų142.982%0.81979%0.789SS**PPolyproline II helixtrans-53.2136.1-173.4-80.947.7000112.7
7N46Very low49.1Very low159 Ų159140.7 Ų140.785%0.8578%0.781SS**PPolyproline II helixtrans-69.8124.4160.4-157.132.4000108
8P47.2Very low49.5Very low81 Ų81140.3 Ų140.353%0.52677%0.765SS.*PPolyproline II helixtrans-75.5154.6-179.930.3-32.3000111.1
9P46.9Very low49.9Very low97 Ų97137.7 Ų137.763%0.6377%0.774SS**PPolyproline II helixtrans-66.4144.1-178.326.7-33.2000112.1G11 H12P9-G11 PolarHBondContact O-N 3.46Å; P9-H12 PolarHBondContact O-ND1 3.36Å
10A50.4Low49.9Very low111 Ų111134.4 Ų134.492%0.91775%0.754SS**THydrogen-bonded Turntrans-55.4127.7177.200000111.1
11G52.1Low50Low79 Ų79129.5 Ų129.581%0.81473%0.729SS**THydrogen-bonded Turntrans131.2-5.3179.100000115.7P9P9-G11 PolarHBondContact O-N 3.46Å
12H46.3Very low50.8Low142 Ų142124.2 Ų124.266%0.65770%0.701SS**  trans-99.6119.9178.2-67.479.1000111P9 I14P9-H12 PolarHBondContact O-ND1 3.36Å; H12-I14 PolarHBondContact O-N 3.08Å; H12-I14 VanDerWaalsContact O-N 3.09Å
13Q51.1Low52Low180 Ų180120.8 Ų120.884%0.84169%0.686SS**  trans-63.8107.5171.2-166.4171.23300108.6V15Q13-V15 PolarHBondContact O-N 3.17Å
14I59.4Low52.7Low119 Ų119119.8 Ų119.861%0.6167%0.674SS**  trans-77.496.3175.2-55.6174.2000107.4H12 H16H12-I14 PolarHBondContact O-N 3.08Å; H12-I14 VanDerWaalsContact O-N 3.09Å; I14-H16 VanDerWaalsContact CG2-CE1 3.47Å; I14-H16 WeakPolarHBondContact CG2-CE1 3.28Å; I14-H16 PolarHBondContact O-N 3.08Å; I14-H16 VanDerWaalsContact O-N 3.14Å
15V56.7Low53.7Low107 Ų107118.3 Ų118.365%0.64867%0.665SS**  trans-73.3100.4169.4-175.60000107.4Q13 V17Q13-V15 PolarHBondContact O-N 3.17Å; V15-V17 VanDerWaalsContact C-N 3.29Å; V15-V17 HydrophobicContact CG1-CG2 3.77Å; V15-V17 PolarHBondContact O-N 3.24Å
16H53.3Low54.7Low167 Ų167114 Ų11477%0.77365%0.645SS**  trans-73.890167.7-72.591.9000108.2I14 R18I14-H16 VanDerWaalsContact CG2-CE1 3.47Å; I14-H16 WeakPolarHBondContact CG2-CE1 3.28Å; I14-H16 PolarHBondContact O-N 3.08Å; I14-H16 VanDerWaalsContact O-N 3.14Å; H16-R18 PolarHBondContact O-N 2.95Å
17V56.2Low55.6Low106 Ų106109.3 Ų109.364%0.64263%0.626SS**  trans-70.6110167.9-177.30000106.5V15 G19 S21V15-V17 VanDerWaalsContact C-N 3.29Å; V15-V17 HydrophobicContact CG1-CG2 3.77Å; V15-V17 PolarHBondContact O-N 3.24Å; V17-G19 PolarHBondContact O-N 3.4Å; V17-S21 WeakPolarHBondContact CG1-OG 3.4Å
18R56.1Low56.7Low134 Ų134107 Ų10751%0.50661%0.613SS.*  trans-59134176.3-150.4-174.1157.2110.3-0.5107.8H16 D20 S21 N50H16-R18 PolarHBondContact O-N 2.95Å; R18-D20 WeakPolarHBondContact CB-OD1 3.32Å; R18-D20 WeakPolarHBondContact CD-OD1 3.3Å; R18-D20 WeakPolarHBondContact CG-OD1 3.46Å; R18-D20 IonicContact CZ-OD2 3.82Å; R18-D20 IonicContact NE-OD1 3.88Å; R18-D20 PolarHBondContact NE-OD1 3.14Å; R18-D20 VanDerWaalsContact NE-OD1 3.16Å; R18-D20 IonicContact NE-OD2 3.27Å; R18-D20 PolarHBondContact NE-OD2 3.07Å; R18-D20 IonicContact NH2-OD2 3.01Å; R18-D20 PolarHBondContact O-N 3.49Å; R18-S21 VanDerWaalsContact O-CB 3.27Å; R18-S21 WeakPolarHBondContact O-CB 3.29Å; R18-S21 PolarHBondContact O-N 3.3Å; R18-S21 PolarHBondContact O-OG 3.37Å; R18-N50 PolarHBondContact NH2-ND2 3.35Å
19G57.3Low57.8Low90 Ų90109.5 Ų109.593%0.92862%0.616SS**THydrogen-bonded Turntrans-61.5-13-173.400000115.3V17V17-G19 PolarHBondContact O-N 3.4Å
20D49.3Very low58.8Low72 Ų72109.5 Ų109.539%0.38561%0.61SS.*THydrogen-bonded Turntrans-102-5.7175.756.2-5.5000113.4R18 Q22 T23 D24R18-D20 WeakPolarHBondContact CB-OD1 3.32Å; R18-D20 WeakPolarHBondContact CD-OD1 3.3Å; R18-D20 WeakPolarHBondContact CG-OD1 3.46Å; R18-D20 IonicContact CZ-OD2 3.82Å; R18-D20 IonicContact NE-OD1 3.88Å; R18-D20 PolarHBondContact NE-OD1 3.14Å; R18-D20 VanDerWaalsContact NE-OD1 3.16Å; R18-D20 IonicContact NE-OD2 3.27Å; R18-D20 PolarHBondContact NE-OD2 3.07Å; R18-D20 IonicContact NH2-OD2 3.01Å; R18-D20 PolarHBondContact O-N 3.49Å; D20-Q22 VanDerWaalsContact C-N 3.31Å; D20-Q22 PolarHBondContact O-N 3.21Å; D20-T23 PolarHBondContact O-N 3.31Å; D20-T23 VanDerWaalsContact O-N 3.11Å; D20-D24 PolarHBondContact O-N 3.22Å
21S53.5Low59.5Low31 Ų31106 Ų10622%0.21758%0.579CS.*Hα-helixtrans-65-30.7-171.557.30000113.8V17 R18 L25V17-S21 WeakPolarHBondContact CG1-OG 3.4Å; R18-S21 VanDerWaalsContact O-CB 3.27Å; R18-S21 WeakPolarHBondContact O-CB 3.29Å; R18-S21 PolarHBondContact O-N 3.3Å; R18-S21 PolarHBondContact O-OG 3.37Å; S21-L25 VanDerWaalsContact O-CB 3.3Å; S21-L25 WeakPolarHBondContact O-CB 3.37Å; S21-L25 WeakPolarHBondContact O-CG 2.95Å; S21-L25 PolarHBondContact O-N 3.36Å
22Q57.7Low60.3Low138 Ų138107.5 Ų107.565%0.64557%0.572SS**Hα-helixtrans-67.8-41.7174.9-171.1166.3-1.200111D20 E26D20-Q22 VanDerWaalsContact C-N 3.31Å; D20-Q22 PolarHBondContact O-N 3.21Å; Q22-E26 WeakPolarHBondContact O-CB 3.41Å; Q22-E26 VanDerWaalsContact O-CG 3.31Å; Q22-E26 WeakPolarHBondContact O-CG 3.46Å; Q22-E26 PolarHBondContact O-N 3.4Å
23T61.8Low61.5Low82 Ų82106.3 Ų106.350%0.50357%0.569SS.*Hα-helixtrans-69.3-40.5177.5-27.80000111.6D20 E26 L27D20-T23 PolarHBondContact O-N 3.31Å; D20-T23 VanDerWaalsContact O-N 3.11Å; T23-E26 PolarHBondContact O-N 2.87Å; T23-L27 WeakPolarHBondContact O-CB 3.47Å; T23-L27 WeakPolarHBondContact O-CG 3.3Å; T23-L27 PolarHBondContact O-N 3.49Å
24D65.1Low62.4Low102 Ų102102.1 Ų102.155%0.54555%0.552SS.*Hα-helixtrans-66.9-40.2178.7-165.943000111.8D20 L27 L28D20-D24 PolarHBondContact O-N 3.22Å; D24-L27 PolarHBondContact O-N 2.77Å; D24-L28 WeakPolarHBondContact O-CB 3.4Å; D24-L28 PolarHBondContact O-N 3.46Å
25L67.4Low62.5Low112 Ų112101.2 Ų101.259%0.58655%0.554SS**Hα-helixtrans-68.7-39.7174.6-72.5172.9000112.5S21 L27 L28 F29S21-L25 VanDerWaalsContact O-CB 3.3Å; S21-L25 WeakPolarHBondContact O-CB 3.37Å; S21-L25 WeakPolarHBondContact O-CG 2.95Å; S21-L25 PolarHBondContact O-N 3.36Å; L25-L27 VanDerWaalsContact C-N 3.35Å; L25-L28 PolarHBondContact O-N 3.07Å; L25-F29 WeakPolarHBondContact O-CB 3.35Å; L25-F29 PolarHBondContact O-N 3.27Å
26E67.4Low62.6Low108 Ų108106.1 Ų106.151%0.50557%0.566SS.*Hα-helixtrans-65.9-36.8174.1-77.4177.4-168.300112Q22 T23 F29 N30Q22-E26 WeakPolarHBondContact O-CB 3.41Å; Q22-E26 VanDerWaalsContact O-CG 3.31Å; Q22-E26 WeakPolarHBondContact O-CG 3.46Å; Q22-E26 PolarHBondContact O-N 3.4Å; T23-E26 PolarHBondContact O-N 2.87Å; E26-F29 PolarHBondContact O-N 3.36Å; E26-N30 VanDerWaalsContact O-CB 3.3Å; E26-N30 WeakPolarHBondContact O-CB 3.48Å; E26-N30 VanDerWaalsContact O-CG 3.32Å; E26-N30 PolarHBondContact O-N 3.14Å
27L66.2Low62.7Low79 Ų79102.4 Ų102.441%0.41456%0.559SS.*Hα-helixtrans-67.7-39173.7-73.8172.3000112.2T23 D24 L25 S31T23-L27 WeakPolarHBondContact O-CB 3.47Å; T23-L27 WeakPolarHBondContact O-CG 3.3Å; T23-L27 PolarHBondContact O-N 3.49Å; D24-L27 PolarHBondContact O-N 2.77Å; L25-L27 VanDerWaalsContact C-N 3.35Å; L27-S31 WeakPolarHBondContact O-CB 3.31Å; L27-S31 PolarHBondContact O-N 3.22Å; L27-S31 PolarHBondContact O-OG 3.07Å
28L69.8Low62.7Low111 Ų11199.3 Ų99.358%0.58154%0.542SS*.Hα-helixtrans-63.8-45.2174.2-172.267.6000110.7D24 L25 S31 V32D24-L28 WeakPolarHBondContact O-CB 3.4Å; D24-L28 PolarHBondContact O-N 3.46Å; L25-L28 PolarHBondContact O-N 3.07Å; L28-S31 PolarHBondContact O-N 3.41Å; L28-V32 PolarHBondContact O-N 2.93Å
29F68.9Low62.8Low133 Ų133100.9 Ų100.958%0.58356%0.56SS**Hα-helixtrans-64-44.8177.7-164.6-96.7000111.8L25 E26 S31 V32 M33L25-F29 WeakPolarHBondContact O-CB 3.35Å; L25-F29 PolarHBondContact O-N 3.27Å; E26-F29 PolarHBondContact O-N 3.36Å; F29-S31 VanDerWaalsContact C-N 3.3Å; F29-S31 PolarHBondContact O-N 3.41Å; F29-V32 PolarHBondContact O-N 3.35Å; F29-M33 HydrophobicContact CD1-CG 3.89Å; F29-M33 HydrophobicContact CE1-CG 3.63Å; F29-M33 HydrophobicContact CE1-SD 4.47Å; F29-M33 HydrophobicContact CG-CG 4.48Å; F29-M33 HydrophobicContact CZ-CG 4Å; F29-M33 HydrophobicContact CZ-SD 4.33Å; F29-M33 WeakPolarHBondContact O-CB 3.37Å; F29-M33 VanDerWaalsContact O-CG 3.29Å; F29-M33 WeakPolarHBondContact O-CG 3.38Å; F29-M33 PolarHBondContact O-N 2.85Å
30N67.9Low62.8Low96 Ų96100 Ų10051%0.51354%0.537SS..Hα-helixtrans-65.2-31.7175.8-78.8-17.9000112.9E26 V32 N34E26-N30 VanDerWaalsContact O-CB 3.3Å; E26-N30 WeakPolarHBondContact O-CB 3.48Å; E26-N30 VanDerWaalsContact O-CG 3.32Å; E26-N30 PolarHBondContact O-N 3.14Å; N30-V32 VanDerWaalsContact C-N 3.35Å; N30-N34 WeakPolarHBondContact O-CA 3.39Å; N30-N34 VanDerWaalsContact O-CB 3.3Å; N30-N34 WeakPolarHBondContact O-CB 3.45Å; N30-N34 PolarHBondContact O-N 2.95Å
31S64.7Low63.1Low38 Ų38100.4 Ų100.427%0.26654%0.543SS..Hα-helixtrans-68.9-34.1176.3-63.20000112.5L27 L28 F29 S38L27-S31 WeakPolarHBondContact O-CB 3.31Å; L27-S31 PolarHBondContact O-N 3.22Å; L27-S31 PolarHBondContact O-OG 3.07Å; L28-S31 PolarHBondContact O-N 3.41Å; F29-S31 VanDerWaalsContact C-N 3.3Å; F29-S31 PolarHBondContact O-N 3.41Å; S31-S38 PolarHBondContact OG-OG 3.36Å
32V69.6Low63.4Low110 Ų110104.6 Ų104.667%0.66758%0.58SS**Hα-helixtrans-77-42175.9173.50000111.5L28 F29 N30L28-V32 PolarHBondContact O-N 2.93Å; F29-V32 PolarHBondContact O-N 3.35Å; N30-V32 VanDerWaalsContact C-N 3.35Å
33M72.8Confident63.6Low118 Ų118101.7 Ų101.758%0.58158%0.575SS**Hα-helixtrans-79.3-28.7-176.8-63.2-61.4-78.900112.9F29F29-M33 HydrophobicContact CD1-CG 3.89Å; F29-M33 HydrophobicContact CE1-CG 3.63Å; F29-M33 HydrophobicContact CE1-SD 4.47Å; F29-M33 HydrophobicContact CG-CG 4.48Å; F29-M33 HydrophobicContact CZ-CG 4Å; F29-M33 HydrophobicContact CZ-SD 4.33Å; F29-M33 WeakPolarHBondContact O-CB 3.37Å; F29-M33 VanDerWaalsContact O-CG 3.29Å; F29-M33 WeakPolarHBondContact O-CG 3.38Å; F29-M33 PolarHBondContact O-N 2.85Å
34N68.9Low64.1Low92 Ų92102.2 Ų102.249%0.49257%0.574SS.*  trans-131.867.3-173.9-99.866.2000111.8N30 K36 S37N30-N34 WeakPolarHBondContact O-CA 3.39Å; N30-N34 VanDerWaalsContact O-CB 3.3Å; N30-N34 WeakPolarHBondContact O-CB 3.45Å; N30-N34 PolarHBondContact O-N 2.95Å; N34-K36 PolarHBondContact O-N 3.39Å; N34-S37 PolarHBondContact O-N 3.26Å; N34-S37 PolarHBondContact O-OG 3.15Å
35P61.3Low64.7Low99 Ų99100.5 Ų100.564%0.64357%0.569SS**THydrogen-bonded Turntrans-66.3-12.2-173.926.1-35.3000114.5
36K58.2Low65.2Low211 Ų21198.9 Ų98.992%0.91756%0.559SS**THydrogen-bonded Turntrans-94.7-9.9-176.9-62.1179-177.6175.30114.3N34N34-K36 PolarHBondContact O-N 3.39Å
37S56.6Low65.4Low88 Ų88103.9 Ų103.962%0.61557%0.573SS**THydrogen-bonded Turntrans-117.9-5.9-178.553.80000113.9N34 N39N34-S37 PolarHBondContact O-N 3.26Å; N34-S37 PolarHBondContact O-OG 3.15Å; S37-N39 PolarHBondContact O-N 3.03Å
38S55.3Low65.8Low42 Ų42106.1 Ų106.129%0.29458%0.583SS.*  trans-88.196.4179.2178.60000110.1S31 V40S31-S38 PolarHBondContact OG-OG 3.36Å; S38-V40 PolarHBondContact O-N 2.82Å; S38-V40 WeakPolarHBondContact OG-CB 3.12Å; S38-V40 WeakPolarHBondContact OG-CG2 3.46Å
39N58.2Low66.4Low166 Ų166106.6 Ų106.689%0.88858%0.577SS**  trans-86.243.6164.7-154.1-29.1000109.6S37S37-N39 PolarHBondContact O-N 3.03Å
40V57.3Low66.7Low73 Ų73106.5 Ų106.544%0.44258%0.583SS.*  trans-98.8122.8179.9-174.60000107.4S38 A42S38-V40 PolarHBondContact O-N 2.82Å; S38-V40 WeakPolarHBondContact OG-CB 3.12Å; S38-V40 WeakPolarHBondContact OG-CG2 3.46Å; V40-A42 PolarHBondContact O-N 2.99Å
41P56Low67.5Low79 Ų79104.4 Ų104.451%0.51357%0.572SS.*  trans-60131.5176.424.3-31.8000109.2S43P41-S43 PolarHBondContact O-N 3.1Å
42A60.5Low68.3Low119 Ų119106.6 Ų106.698%0.98359%0.585SS**SBendtrans-57.7-8.4-178.500000114.4V40V40-A42 PolarHBondContact O-N 2.99Å
43S62.5Low68.5Low78 Ų78106.9 Ų106.955%0.54558%0.583SS.*SBendtrans-151129.9173.2177.80000108.8P41P41-S43 PolarHBondContact O-N 3.1Å
44L71.5Confident68.7Low93 Ų93105.5 Ų105.549%0.48758%0.584SS.*  trans-59.8126.6170.4-73.6170.8000108.6M46 M48 R49L44-M46 PolarHBondContact O-N 2.74Å; L44-M48 HydrophobicContact CD2-CE 4.49Å; L44-R49 HydrophobicContact CB-CG 4.33Å
45P77.4Confident69.4Low66 Ų66106.6 Ų106.643%0.42959%0.585SS.*  trans-48.8140.4175.9-25.932.2000110.3R47 M48P45-R47 PolarHBondContact O-N 2.85Å; P45-M48 HydrophobicContact CB-CG 4.41Å; P45-M48 HydrophobicContact CB-SD 4.43Å; P45-M48 HydrophobicContact CG-SD 3.92Å; P45-M48 WeakPolarHBondContact O-CA 3.43Å; P45-M48 WeakPolarHBondContact O-CB 3.49Å; P45-M48 PolarHBondContact O-N 2.94Å
46M77.9Confident70.5Confident77 Ų77105.3 Ų105.338%0.37957%0.569SS.*G310 helixtrans-50.3-39.3-172.9-70.3-65.2-73.700112.5L44 M48 R49 L51 F55 F56L44-M46 PolarHBondContact O-N 2.74Å; M46-M48 PolarHBondContact O-N 3.26Å; M46-R49 VanDerWaalsContact O-CB 3.3Å; M46-R49 WeakPolarHBondContact O-CB 3.33Å; M46-R49 PolarHBondContact O-N 3.1Å; M46-R49 VanDerWaalsContact SD-CD 3.52Å; M46-R49 PolarHBondContact SD-NH1 2.98Å; M46-R49 VanDerWaalsContact SD-NH1 3.36Å; M46-L51 HydrophobicContact CE-CD1 3.45Å; M46-L51 VanDerWaalsContact CE-CD1 3.45Å; M46-L51 HydrophobicContact SD-CD1 4.42Å; M46-F55 HydrophobicContact CE-CD1 4.43Å; M46-F55 HydrophobicContact CE-CE1 3.36Å; M46-F55 HydrophobicContact CE-CE2 4.41Å; M46-F55 HydrophobicContact CE-CZ 3.34Å; M46-F56 HydrophobicContact CB-CE1 3.87Å; M46-F56 HydrophobicContact CB-CZ 4.27Å; M46-F56 WeakPolarHBondContact O-CZ 3.24Å
47R72.7Confident71.6Confident213 Ų213101.8 Ų101.880%0.80455%0.554SS**G310 helixtrans-62.8-20.1177.4-70.2176.1177.9128.9-0.9115.6P45 F56P45-R47 PolarHBondContact O-N 2.85Å; R47-F56 VanDerWaalsContact CA-CZ 3.45Å; R47-F56 HydrophobicContact CB-CE1 4.22Å; R47-F56 HydrophobicContact CB-CZ 4.41Å; R47-F56 HydrophobicContact CG-CD1 3.65Å; R47-F56 HydrophobicContact CG-CE1 3.56Å; R47-F56 HydrophobicContact CG-CG 4.34Å; R47-F56 HydrophobicContact CG-CZ 4.19Å
48M73Confident72.4Confident127 Ų127102.9 Ų102.963%0.62656%0.559SS**G310 helixtrans-95.7-4.2176.9-63.8-179.166.500112.3L44 P45 M46L44-M48 HydrophobicContact CD2-CE 4.49Å; P45-M48 HydrophobicContact CB-CG 4.41Å; P45-M48 HydrophobicContact CB-SD 4.43Å; P45-M48 HydrophobicContact CG-SD 3.92Å; P45-M48 WeakPolarHBondContact O-CA 3.43Å; P45-M48 WeakPolarHBondContact O-CB 3.49Å; P45-M48 PolarHBondContact O-N 2.94Å; M46-M48 PolarHBondContact O-N 3.26Å
49R82.6Confident73.4Confident120 Ų120106.7 Ų106.745%0.45358%0.583SS.*SBendtrans-82.9149.6172.3-56.4169.372.9150.3-1.5107.9L44 M46 L51L44-R49 HydrophobicContact CB-CG 4.33Å; M46-R49 VanDerWaalsContact O-CB 3.3Å; M46-R49 WeakPolarHBondContact O-CB 3.33Å; M46-R49 PolarHBondContact O-N 3.1Å; M46-R49 VanDerWaalsContact SD-CD 3.52Å; M46-R49 PolarHBondContact SD-NH1 2.98Å; M46-R49 VanDerWaalsContact SD-NH1 3.36Å; R49-L51 HydrophobicContact CB-CD1 4.14Å; R49-L51 HydrophobicContact CB-CG 4Å; R49-L51 PolarHBondContact O-N 2.64Å
50N76.6Confident74.2Confident131 Ų131107.1 Ų107.170%0.70158%0.58SS**SBendtrans-71.366.3174.2-72.58.3000111.1R18R18-N50 PolarHBondContact NH2-ND2 3.35Å
51L83.1Confident74.4Confident53 Ų53109.6 Ų109.628%0.27760%0.597SS.*  trans-101.8144174.7-64.8174.6000108.8M46 R49 F55 F56M46-L51 HydrophobicContact CE-CD1 3.45Å; M46-L51 VanDerWaalsContact CE-CD1 3.45Å; M46-L51 HydrophobicContact SD-CD1 4.42Å; R49-L51 HydrophobicContact CB-CD1 4.14Å; R49-L51 HydrophobicContact CB-CG 4Å; R49-L51 PolarHBondContact O-N 2.64Å; L51-F55 HydrophobicContact CB-CB 4.26Å; L51-F55 HydrophobicContact CB-CD1 4.45Å; L51-F55 HydrophobicContact CB-CG 4.34Å; L51-F55 HydrophobicContact CD1-CD1 3.74Å; L51-F55 HydrophobicContact CD1-CE1 3.81Å; L51-F55 HydrophobicContact CD1-CG 4.15Å; L51-F55 HydrophobicContact CD1-CZ 4.26Å; L51-F56 HydrophobicContact CB-CE2 3.9Å; L51-F56 HydrophobicContact CB-CZ 4.1Å; L51-F56 HydrophobicContact CD1-CZ 4.04Å
52P82.5Confident74.3Confident84 Ų84114.4 Ų114.455%0.54561%0.61SS.*  trans-62.1146.8177.325.5-33000110.7S54 F55P52-S54 PolarHBondContact O-N 3.13Å; P52-F55 WeakPolarHBondContact O-CB 3.21Å; P52-F55 PolarHBondContact O-N 3.38Å
53D73.8Confident73.6Confident116 Ų116114.3 Ų114.362%0.6260%0.602SS**G310 helixtrans-56.1-23.8-178.8-73.7-19.3000114F55 F56 K57D53-F55 PolarHBondContact O-N 3.16Å; D53-F56 PolarHBondContact O-N 2.94Å; D53-K57 WeakPolarHBondContact O-CG 3.37Å; D53-K57 PolarHBondContact O-N 3.34Å
54S76Confident72.8Confident88 Ų88118.6 Ų118.662%0.61561%0.613SS**G310 helixtrans-61.8-2617455.30000112.9P52 F56 K57P52-S54 PolarHBondContact O-N 3.13Å; S54-F56 VanDerWaalsContact C-N 3.3Å; S54-F56 PolarHBondContact O-N 3.42Å; S54-K57 PolarHBondContact O-N 2.71Å
55F84.3Confident71.4Confident116 Ų116118.3 Ų118.351%0.50962%0.619SS.*G310 helixtrans-68.1-29.6177.9-170.8-90.3000112.5M46 L51 P52 D53M46-F55 HydrophobicContact CE-CD1 4.43Å; M46-F55 HydrophobicContact CE-CE1 3.36Å; M46-F55 HydrophobicContact CE-CE2 4.41Å; M46-F55 HydrophobicContact CE-CZ 3.34Å; L51-F55 HydrophobicContact CB-CB 4.26Å; L51-F55 HydrophobicContact CB-CD1 4.45Å; L51-F55 HydrophobicContact CB-CG 4.34Å; L51-F55 HydrophobicContact CD1-CD1 3.74Å; L51-F55 HydrophobicContact CD1-CE1 3.81Å; L51-F55 HydrophobicContact CD1-CG 4.15Å; L51-F55 HydrophobicContact CD1-CZ 4.26Å; P52-F55 WeakPolarHBondContact O-CB 3.21Å; P52-F55 PolarHBondContact O-N 3.38Å; D53-F55 PolarHBondContact O-N 3.16Å
56F84.3Confident69.9Low71 Ų71126.7 Ų126.731%0.31164%0.642SS.*THydrogen-bonded Turntrans-98.5-7.1-179.3-58.7-70.7000113.8M46 R47 L51 D53 S54M46-F56 HydrophobicContact CB-CE1 3.87Å; M46-F56 HydrophobicContact CB-CZ 4.27Å; M46-F56 WeakPolarHBondContact O-CZ 3.24Å; R47-F56 VanDerWaalsContact CA-CZ 3.45Å; R47-F56 HydrophobicContact CB-CE1 4.22Å; R47-F56 HydrophobicContact CB-CZ 4.41Å; R47-F56 HydrophobicContact CG-CD1 3.65Å; R47-F56 HydrophobicContact CG-CE1 3.56Å; R47-F56 HydrophobicContact CG-CG 4.34Å; R47-F56 HydrophobicContact CG-CZ 4.19Å; L51-F56 HydrophobicContact CB-CE2 3.9Å; L51-F56 HydrophobicContact CB-CZ 4.1Å; L51-F56 HydrophobicContact CD1-CZ 4.04Å; D53-F56 PolarHBondContact O-N 2.94Å; S54-F56 VanDerWaalsContact C-N 3.3Å; S54-F56 PolarHBondContact O-N 3.42Å
57K80.8Confident68.2Low137 Ų137131 Ų13160%0.59666%0.661SS**SBendtrans-92116.7176.7-71.5171.2-175.5175.10108D53 S54D53-K57 WeakPolarHBondContact O-CG 3.37Å; D53-K57 PolarHBondContact O-N 3.34Å; S54-K57 PolarHBondContact O-N 2.71Å
58P74.1Confident66.8Low111 Ų111124.9 Ų124.972%0.72166%0.656SS**PPolyproline II helixtrans-58.3140.7171.925.1-31.8000108.6E60P58-E60 PolarHBondContact O-N 3.4Å
59P75.7Confident65.3Low122 Ų122124.7 Ų124.779%0.79267%0.667SS**PPolyproline II helixtrans-55.4133.5175.623.6-32.5000108.6
60E75.2Confident63.2Low176 Ų176125.6 Ų125.682%0.82269%0.686SS**PPolyproline II helixtrans-51.8132.4176.8-71.7175.5172.700108.6P58 K62P58-E60 PolarHBondContact O-N 3.4Å; E60-K62 VanDerWaalsContact C-N 3.27Å; E60-K62 PolarHBondContact O-N 3.36Å
61P61.7Low61.7Low125 Ų125127 Ų12781%0.81269%0.694SS**  trans-62.997.8174.626.4-32.2000106.7S63P61-S63 VanDerWaalsContact C-N 3.33Å; P61-S63 PolarHBondContact O-N 3.3Å
62K53.6Low59.6Low179 Ų179128.5 Ų128.578%0.77871%0.714SS**  trans-57.8105.5167-96173.6175.8169.90105.6E60 H64E60-K62 VanDerWaalsContact C-N 3.27Å; E60-K62 PolarHBondContact O-N 3.36Å; K62-H64 PolarHBondContact O-CD2 2.86Å; K62-H64 PolarHBondContact O-N 3.45Å
63S45.8Very low57.5Low117 Ų117128 Ų12882%0.81872%0.724SS**  trans-52.198.1159.5-82.40000106.7P61 S65P61-S63 VanDerWaalsContact C-N 3.33Å; P61-S63 PolarHBondContact O-N 3.3Å; S63-S65 PolarHBondContact O-N 3.45Å
64H47Very low56Low169 Ų169128.9 Ų128.978%0.78274%0.74SS**  trans-65.484.8161.8-71.4-75.9000106.3K62 R66K62-H64 PolarHBondContact O-CD2 2.86Å; K62-H64 PolarHBondContact O-N 3.45Å; H64-R66 VanDerWaalsContact C-N 3.29Å; H64-R66 PolarHBondContact O-N 3.01Å
65S40.9Very low54.4Low86 Ų86128.4 Ų128.460%0.60175%0.748SS**  trans-63.695.5169.8-160.10000106.4S63 Q67S63-S65 PolarHBondContact O-N 3.45Å; S65-Q67 PolarHBondContact O-N 2.77Å; S65-Q67 WeakPolarHBondContact OG-CG 3.38Å
66R47.6Very low52.1Low242 Ų242126.6 Ų126.691%0.91376%0.763SS**  trans-68.872.4165.3-75-177.8159.4-136.9-1.8107.9H64 A68H64-R66 VanDerWaalsContact C-N 3.29Å; H64-R66 PolarHBondContact O-N 3.01Å; R66-A68 PolarHBondContact O-N 2.92Å; R66-A68 VanDerWaalsContact O-N 3.1Å
67Q42.2Very low50.2Low168 Ų168130 Ų13079%0.78579%0.788SS**  trans-80.582.5162.6-60.5-150.52.200107.3S65 S69S65-Q67 PolarHBondContact O-N 2.77Å; S65-Q67 WeakPolarHBondContact OG-CG 3.38Å; Q67-S69 PolarHBondContact O-N 2.99Å
68A41.9Very low48.3Very low85 Ų85131.4 Ų131.470%0.70280%0.802SS**  trans-71.2120.6158.600000106.9R66 T70R66-A68 PolarHBondContact O-N 2.92Å; R66-A68 VanDerWaalsContact O-N 3.1Å; A68-T70 PolarHBondContact O-N 3.27Å; A68-T70 VanDerWaalsContact O-N 3.09Å
69S41.8Very low47.1Very low122 Ų122131.4 Ų131.485%0.85380%0.8SS**  trans-64.7106.2174.7-49.70000109.5Q67Q67-S69 PolarHBondContact O-N 2.99Å
70T39.2Very low45.7Very low139 Ų139131 Ų13185%0.85380%0.797SS**  trans-92.595160.946.40000108.1A68A68-T70 PolarHBondContact O-N 3.27Å; A68-T70 VanDerWaalsContact O-N 3.09Å
71D44.4Very low43.9Very low160 Ų160131 Ų13186%0.85680%0.797SS**  trans-84.2117.1148.8176.254.2000106.8
72A38.7Very low43Very low85 Ų85133 Ų13370%0.70280%0.795SS**  trans164.2115.7144.800000110.9
73G38.5Very low42.7Very low74 Ų74131.2 Ų131.276%0.76380%0.799SS**  34.2112.2123.100000118.9
74S43.5Very low42.5Very low135 Ų135134.7 Ų134.794%0.94479%0.794SS**  trans-24.4127.6153.1-1780000115.8
75G40.6Very low42.3Very low77 Ų77130.5 Ų130.579%0.79479%0.789SS**  trans137.8116.2147.100000115.5
76G36.1Very low42.4Very low79 Ų79133.7 Ų133.781%0.81479%0.794SS**  trans123.4102153.300000115.7L78G76-L78 PolarHBondContact O-N 2.89Å
77V46.1Very low42.1Very low141 Ų141127.4 Ų127.486%0.85579%0.787SS**  trans-54.6119.8165.3170.30000110.6
78L40.8Very low42Very low168 Ų168124.1 Ų124.188%0.8878%0.783SS**  trans-151.5144.3149.1-71.6-175.6000110G76G76-L78 PolarHBondContact O-N 2.89Å
79T48.3Very low42.1Very low111 Ų111126 Ų12668%0.68179%0.787SS**  trans-60.2151.2-171.746.90000114.5H81T79-H81 PolarHBondContact O-N 3.36Å; T79-H81 VanDerWaalsContact O-N 3.1Å
80P45.8Very low42.1Very low113 Ų113124.8 Ų124.873%0.73479%0.785SS**  trans-73.5105177.427.6-30.1000111H82P80-H82 PolarHBondContact O-N 3.19Å
81H37Very low42.4Very low175 Ų175123.6 Ų123.681%0.8178%0.782SS**  trans-70.9114.2163.1-95.8-89.3000109.4T79 V83T79-H81 PolarHBondContact O-N 3.36Å; T79-H81 VanDerWaalsContact O-N 3.1Å; H81-V83 PolarHBondContact O-N 2.6Å
82H42.7Very low42.5Very low169 Ų169123.8 Ų123.878%0.78278%0.783SS**  trans-68.1113.6167.8-53.6-90.2000108.9P80 R84P80-H82 PolarHBondContact O-N 3.19Å; H82-R84 PolarHBondContact O-N 3.2Å
83V47.6Very low42.7Very low140 Ų140128.8 Ų128.885%0.84879%0.791SS**  trans-72.983.6157.4-179.40000106.3H81 A85H81-V83 PolarHBondContact O-N 2.6Å; V83-A85 PolarHBondContact O-N 3.37Å; V83-A85 VanDerWaalsContact O-N 3.11Å
84R42.8Very low42.9Very low190 Ų190133.4 Ų133.472%0.71780%0.798SS**  trans-65.1105.3162.4173.3171.4-93.8-172.1-6.7105.7H82 H86H82-R84 PolarHBondContact O-N 3.2Å; R84-H86 PolarHBondContact O-CD2 2.94Å; R84-H86 PolarHBondContact O-N 3.45Å
85A41.4Very low42.6Very low82 Ų82130.4 Ų130.468%0.67879%0.788SS**  trans-61.6104.5161.800000106.9V83 S87V83-A85 PolarHBondContact O-N 3.37Å; V83-A85 VanDerWaalsContact O-N 3.11Å; A85-S87 PolarHBondContact O-N 2.73Å
86H43.5Very low42.5Very low153 Ų153131.5 Ų131.571%0.70879%0.79SS**  trans-74.774.9173.2-63.7-96.9000108.7R84 S88R84-H86 PolarHBondContact O-CD2 2.94Å; R84-H86 PolarHBondContact O-N 3.45Å; H86-S88 VanDerWaalsContact C-N 3.27Å; H86-S88 PolarHBondContact O-N 3.36Å
87S40.9Very low42.5Very low110 Ų110134.4 Ų134.477%0.76979%0.791SS**  trans-78.288.6153.953.30000107A85A85-S87 PolarHBondContact O-N 2.73Å
88S40.8Very low41.9Very low99 Ų99133.6 Ų133.669%0.69279%0.792SS**PPolyproline II helixtrans-62.2138.3170.1-59.90000109.8H86H86-S88 VanDerWaalsContact C-N 3.27Å; H86-S88 PolarHBondContact O-N 3.36Å
89P44.4Very low41.7Very low123 Ų123129.8 Ų129.880%0.79979%0.794SS**PPolyproline II helixtrans-69.6132.4164.629.8-29.7000108.3S91P89-S91 PolarHBondContact O-N 3.49Å
90A41.7Very low40.9Very low98 Ų98128.1 Ų128.181%0.8180%0.799SS**PPolyproline II helixtrans-63.4116.8178.800000110.4L92A90-L92 PolarHBondContact O-N 2.85Å
91S44.3Very low40.6Very low113 Ų113127.8 Ų127.879%0.7980%0.799SS**PPolyproline II helixtrans-70.7118.6163.7-78.70000109.1P89 Q93P89-S91 PolarHBondContact O-N 3.49Å; S91-Q93 PolarHBondContact O-N 3.2Å
92L47.5Very low40.6Very low165 Ų165127.6 Ų127.686%0.86480%0.803SS**  trans-67.2107.6167.2-70.6165.6000108.6A90A90-L92 PolarHBondContact O-N 2.85Å
93Q42.4Very low40.4Very low189 Ų189125.7 Ų125.788%0.88381%0.808SS**  trans-91.5105.9162.1-72.3-170.4-46.900108.3S91 G95S91-Q93 PolarHBondContact O-N 3.2Å; Q93-G95 PolarHBondContact O-N 2.73Å
94L42.2Very low39.7Very low171 Ų171122.8 Ų122.890%0.89581%0.807SS**  trans-65.7110.2158.2-8788000107.7
95G38.2Very low39.4Very low73 Ų73122.7 Ų122.775%0.75382%0.817SS**  trans-102.2106.7170.500000109.9Q93Q93-G95 PolarHBondContact O-N 2.73Å
96A37.8Very low39Very low100 Ų100123.6 Ų123.683%0.82683%0.825SS**  trans-59.2142.9174.800000112.1
97V36.5Very low38.6Very low139 Ų139122 Ų12284%0.84283%0.831SS**  trans-79.7125.2169.3-57.60000109.1
98S32.9Very low38.3Very low124 Ų124121.5 Ų121.587%0.86783%0.833SS**  trans-157.3134.1159.3-78.60000108.7
99G36.1Very low37.9Very low89 Ų89120.1 Ų120.192%0.91883%0.834SS**  trans-77.6178.1-160.500000117.1
100G32.4Very low37.5Very low76 Ų76119.4 Ų119.478%0.78484%0.839SS**  trans153.7100.5170.700000113
101S39.5Very low37.1Very low106 Ų106119.4 Ų119.474%0.74183%0.833SS**  trans-36.5141.1161.3172.70000113.8
102L36.7Very low37Very low171 Ų171120 Ų12090%0.89583%0.834SS**  trans-166.6133.6134-56.8-176.7000111.2
103S38.8Very low36.4Very low128 Ų128120.7 Ų120.790%0.89583%0.833SS**  trans-70.5149.8169.8-54.20000113.2
104G33Very low36.3Very low80 Ų80120 Ų12083%0.82583%0.829SS**  trans175.4115.916600000114.3
105M37.1Very low36.3Very low187 Ų187118.2 Ų118.292%0.92182%0.82SS**  trans-70143.9176.961115.712800113.8
106A33.2Very low36.5Very low102 Ų102125.5 Ų125.584%0.84383%0.825SS**  trans-176154.8142.100000112
107S34.3Very low36.7Very low119 Ų119128.9 Ų128.983%0.83282%0.824SS**  trans-86166.1-165.1-174.10000115.3
108A34.7Very low36.8Very low100 Ų100126 Ų12683%0.82681%0.81SS**  trans80.2122.2154.200000119
109G31.8Very low37.1Very low69 Ų69125.3 Ų125.371%0.71181%0.805SS**  trans133.278.2162.100000113.3S111G109-S111 PolarHBondContact O-N 2.82Å
110A37.2Very low38Very low108 Ų108128.1 Ų128.189%0.89379%0.789SS**  trans-58.9105.4166.700000109.2
111S33Very low39.2Very low99 Ų99132.7 Ų132.769%0.69279%0.79SS**  trans-90.6125.9164.925.90000107.1G109 Q113G109-S111 PolarHBondContact O-N 2.82Å; S111-Q113 PolarHBondContact O-N 3.09Å
112P41.1Very low40.6Very low125 Ų125128.3 Ų128.381%0.81276%0.758SS**  trans-68.8103.316827.4-28.8000106.6H114P112-H114 VanDerWaalsContact C-N 3.31Å; P112-H114 PolarHBondContact O-N 3.05Å
113Q35.8Very low42.1Very low180 Ų180124.4 Ų124.484%0.84174%0.743SS**  trans-55.2105.4156.7-79.6-172.7-41.400105.8S111 L115S111-Q113 PolarHBondContact O-N 3.09Å; Q113-L115 PolarHBondContact O-N 3.47Å
114H39.3Very low43.3Very low173 Ų173122.8 Ų122.880%0.80172%0.724SS**  trans-67.590.5164.3-154.1-100.6000105P112 R116P112-H114 VanDerWaalsContact C-N 3.31Å; P112-H114 PolarHBondContact O-N 3.05Å; H114-R116 VanDerWaalsContact C-N 3.31Å; H114-R116 PolarHBondContact O-N 2.77Å
115L43.7Very low45Very low135 Ų135126.4 Ų126.471%0.70773%0.725SS**  trans-48.6102.9169.2-170.767000105Q113 Q117Q113-L115 PolarHBondContact O-N 3.47Å; L115-Q117 VanDerWaalsContact C-N 3.34Å; L115-Q117 PolarHBondContact O-N 3.38Å
116R41.1Very low47Very low226 Ų226120.8 Ų120.885%0.85370%0.701SS**  trans-51.6112.6167.5-79.7-178.4127.4-1240103.5H114 S118H114-R116 VanDerWaalsContact C-N 3.31Å; H114-R116 PolarHBondContact O-N 2.77Å; R116-S118 PolarHBondContact O-N 2.71Å
117Q41.9Very low49.3Very low171 Ų171121.3 Ų121.380%0.79970%0.695SS**  trans-55.798.7173.4-68.1170.99.500104.6L115 S119L115-Q117 VanDerWaalsContact C-N 3.34Å; L115-Q117 PolarHBondContact O-N 3.38Å; Q117-S119 PolarHBondContact O-N 3.44Å
118S38.7Very low51.6Low78 Ų78118 Ų11855%0.54567%0.668SS.*  trans-50.2116.3160.623.20000103.5R116 Y120R116-S118 PolarHBondContact O-N 2.71Å; S118-Y120 VanDerWaalsContact C-N 3.34Å; S118-Y120 WeakPolarHBondContact O-CD2 3.3Å; S118-Y120 PolarHBondContact O-N 2.85Å
119S40.6Very low54Low109 Ų109115.3 Ų115.376%0.76264%0.642SS**  trans-48.4111.4165.8-1610000104.6Q117 E121Q117-S119 PolarHBondContact O-N 3.44Å; S119-E121 PolarHBondContact O-N 2.76Å
120Y55.1Low56.4Low148 Ų148117 Ų11758%0.5865%0.65SS**  trans-67.586-178.5-84.6-93.7000106.6S118 I122 Q178S118-Y120 VanDerWaalsContact C-N 3.34Å; S118-Y120 WeakPolarHBondContact O-CD2 3.3Å; S118-Y120 PolarHBondContact O-N 2.85Å; Y120-I122 PolarHBondContact O-N 2.78Å; Y120-Q178 PolarHBondContact OH-NE2 3.36Å
121E57.7Low58.5Low172 Ų172113.1 Ų113.180%0.80462%0.62SS**  trans-80105.4167.5-166.8160.5-159.400105.2S119 P123S119-E121 PolarHBondContact O-N 2.76Å; E121-P123 WeakPolarHBondContact O-CD 3.44Å
122I68.5Low61Low15 Ų15112 Ų1128%0.07760%0.601CS.*  trans-64.9125.4177.1-68.993000107.1Y120 D124 V126 R170 K171 L174Y120-I122 PolarHBondContact O-N 2.78Å; I122-D124 PolarHBondContact O-N 2.77Å; I122-V126 HydrophobicContact CG2-CB 3.91Å; I122-V126 HydrophobicContact CG2-CG2 3.99Å; I122-R170 HydrophobicContact CG1-CB 4.3Å; I122-R170 HydrophobicContact CG2-CB 4.41Å; I122-K171 HydrophobicContact CD1-CB 4.27Å; I122-K171 HydrophobicContact CD1-CD 4.15Å; I122-K171 HydrophobicContact CD1-CG 3.19Å; I122-L174 HydrophobicContact CD1-CD1 4.08Å; I122-L174 HydrophobicContact CG1-CD1 3.36Å
123P67.9Low63.2Low89 Ų89110.6 Ų110.658%0.57858%0.583SS**  trans-52.9137.3172.8-2635000110.8E121 D125 V126 R170E121-P123 WeakPolarHBondContact O-CD 3.44Å; P123-D125 PolarHBondContact O-N 2.99Å; P123-V126 PolarHBondContact O-N 3.04Å; P123-V126 VanDerWaalsContact O-N 3.16Å; P123-R170 PolarHBondContact O-NH1 3.09Å
124D63.3Low65.6Low94 Ų94105 Ų10550%0.50356%0.558SS.*THydrogen-bonded Turntrans-60.1-11179.6-79.3-32.2000113.9I122 V126 R142I122-D124 PolarHBondContact O-N 2.77Å; D124-V126 VanDerWaalsContact C-N 3.32Å; D124-R142 VanDerWaalsContact CG-NH1 3.28Å; D124-R142 IonicContact OD1-CZ 3.13Å; D124-R142 IonicContact OD1-NH1 2.66Å; D124-R142 PolarHBondContact OD1-NH1 2.88Å; D124-R142 IonicContact OD1-NH2 3.73Å; D124-R142 IonicContact OD2-CZ 2.64Å; D124-R142 IonicContact OD2-NH1 2.99Å; D124-R142 PolarHBondContact OD2-NH1 2.66Å; D124-R142 VanDerWaalsContact OD2-NH1 3.13Å; D124-R142 IonicContact OD2-NH2 2.74Å; D124-R142 PolarHBondContact OD2-NH2 3.21Å
125D68.9Low67.8Low156 Ų15697.9 Ų97.983%0.83453%0.528SS*.THydrogen-bonded Turntrans-78-11.6179.8-143.715.9000113.9P123P123-D125 PolarHBondContact O-N 2.99Å
126V78.5Confident69.7Low69 Ų6997.2 Ų97.242%0.41852%0.52SS..SBendtrans-85.2119.2176.1-178.20000109.7I122 P123 D124 R170I122-V126 HydrophobicContact CG2-CB 3.91Å; I122-V126 HydrophobicContact CG2-CG2 3.99Å; P123-V126 PolarHBondContact O-N 3.04Å; P123-V126 VanDerWaalsContact O-N 3.16Å; D124-V126 VanDerWaalsContact C-N 3.32Å; V126-R170 PolarHBondContact O-NH1 2.82Å
127P81.5Confident71.6Confident113 Ų11388.3 Ų88.373%0.73449%0.491SS*.PPolyproline II helixtrans-62.7144-179.425.4-33.6000111.7
128L84.3Confident73.4Confident48 Ų4888 Ų8825%0.25150%0.5SS..PPolyproline II helixtrans-66.4151.5174.3-73.5152.1000110.8W132 M134 F144 P169 R170L128-W132 HydrophobicContact CB-CB 4.21Å; L128-M134 HydrophobicContact CD1-CB 3.48Å; L128-M134 VanDerWaalsContact CD1-CB 3.48Å; L128-F144 HydrophobicContact CD2-CD1 3.62Å; L128-F144 HydrophobicContact CD2-CE1 3.65Å; L128-P169 HydrophobicContact CD2-CG 3.96Å; L128-R170 HydrophobicContact CD2-CG 4.36Å
129P84.5Confident75.6Confident45 Ų4588.2 Ų88.229%0.29250%0.502SS..PPolyproline II helixtrans-58.7153.7175.6-22.233.8000112.1G131 W132 P169P129-G131 PolarHBondContact O-N 3.43Å; P129-W132 HydrophobicContact CB-CG 4.41Å; P129-W132 VanDerWaalsContact O-CB 3.3Å; P129-W132 WeakPolarHBondContact O-CB 3.25Å; P129-W132 PolarHBondContact O-N 3.11Å; P129-P169 HydrophobicContact CG-CB 4.11Å; P129-P169 HydrophobicContact CG-CG 4.1Å
130A81.1Confident77.7Confident105 Ų10585.2 Ų85.287%0.86849%0.488SS*.THydrogen-bonded Turntrans-55.6133.5179.100000111.6W132A130-W132 VanDerWaalsContact C-N 3.32Å
131G81.4Confident78.8Confident26 Ų2683.5 Ų83.527%0.26849%0.486SS..THydrogen-bonded Turntrans77.914.4-175.500000114.1P129 K146 L147P129-G131 PolarHBondContact O-N 3.43Å; G131-K146 CarbonylContact O-C 3.6Å; G131-K146 WeakPolarHBondContact O-CA 3.43Å; G131-L147 WeakPolarHBondContact O-CA 3.11Å; G131-L147 PolarHBondContact O-N 2.72Å
132W85.8Confident80.2Confident76 Ų7679.8 Ų79.829%0.28846%0.464SS..EExtended strand (participates in β ladder)trans-115.6138.2170.6-68.577.5000111.1L128 P129 A130 F144 L145 K146 T165 P169L128-W132 HydrophobicContact CB-CB 4.21Å; P129-W132 HydrophobicContact CB-CG 4.41Å; P129-W132 VanDerWaalsContact O-CB 3.3Å; P129-W132 WeakPolarHBondContact O-CB 3.25Å; P129-W132 PolarHBondContact O-N 3.11Å; A130-W132 VanDerWaalsContact C-N 3.32Å; W132-F144 HydrophobicContact CE3-CB 3.95Å; W132-F144 HydrophobicContact CZ3-CB 4.05Å; W132-L145 CarbonylContact C-O 3.54Å; W132-L145 WeakPolarHBondContact CA-O 3.46Å; W132-K146 HydrophobicContact CZ2-CB 4.49Å; W132-K146 HydrophobicContact CZ2-CD 4.39Å; W132-K146 HydrophobicContact CZ2-CG 4.36Å; W132-T165 HydrophobicContact CH2-CG2 3.91Å; W132-T165 HydrophobicContact CZ3-CG2 3.43Å; W132-T165 VanDerWaalsContact CZ3-CG2 3.43Å; W132-P169 HydrophobicContact CB-CG 4.3Å; W132-P169 HydrophobicContact CD2-CB 3.77Å; W132-P169 HydrophobicContact CD2-CG 3.58Å; W132-P169 HydrophobicContact CE3-CB 3.88Å; W132-P169 HydrophobicContact CE3-CG 3.52Å; W132-P169 HydrophobicContact CG-CB 4.36Å; W132-P169 HydrophobicContact CG-CG 3.94Å; W132-P169 HydrophobicContact CH2-CB 3.95Å; W132-P169 HydrophobicContact CH2-CG 4.47Å; W132-P169 HydrophobicContact CZ2-CB 3.87Å; W132-P169 HydrophobicContact CZ3-CB 3.94Å; W132-P169 HydrophobicContact CZ3-CG 3.96Å
133E86.8Confident80.8Confident95 Ų9582 Ų8244%0.44447%0.472SS..EExtended strand (participates in β ladder)trans-123.4143.2175.5-177.1178.617400108.9F144 L145 L147E133-F144 CarbonylContact O-C 3.53Å; E133-F144 WeakPolarHBondContact O-CA 3.3Å; E133-L145 HydrophobicContact CB-CB 4.34Å; E133-L145 HydrophobicContact CB-CD1 4.25Å; E133-L145 HydrophobicContact CG-CD1 4.26Å; E133-L145 PolarHBondContact N-O 3.2Å; E133-L145 PolarHBondContact O-N 3.13Å; E133-L147 HydrophobicContact CB-CD1 4.19Å; E133-L147 HydrophobicContact CB-CG 4.5Å
134M88.1Confident81.8Confident63 Ų6378.1 Ų78.131%0.3145%0.446SS..EExtended strand (participates in β ladder)trans-106.1130.3171.3174.9-167.666.500108.7L128 R142 Y143 F144L128-M134 HydrophobicContact CD1-CB 3.48Å; L128-M134 VanDerWaalsContact CD1-CB 3.48Å; M134-R142 HydrophobicContact SD-CG 4.39Å; M134-Y143 WeakPolarHBondContact CA-O 3.16Å; M134-F144 HydrophobicContact CB-CD1 3.86Å; M134-F144 HydrophobicContact CB-CE1 3.83Å; M134-F144 HydrophobicContact CG-CD1 4.19Å; M134-F144 HydrophobicContact CG-CE1 3.82Å; M134-F144 HydrophobicContact CG-CZ 4.41Å; M134-F144 HydrophobicContact SD-CE1 4.28Å
135A83.6Confident82.9Confident22 Ų2274.9 Ų74.918%0.18243%0.429CS..EExtended strand (participates in β ladder)trans-126.9169173.400000110.6R142 Y143 L145A135-R142 WeakPolarHBondContact O-CA 3.16Å; A135-Y143 HydrophobicContact CB-CD1 4.16Å; A135-Y143 HydrophobicContact CB-CD2 4.36Å; A135-Y143 HydrophobicContact CB-CE1 3.53Å; A135-Y143 HydrophobicContact CB-CE2 3.77Å; A135-Y143 WeakPolarHBondContact CB-OH 3.39Å; A135-Y143 PolarHBondContact N-O 2.91Å; A135-Y143 WeakPolarHBondContact O-CD1 3.18Å; A135-Y143 PolarHBondContact O-N 3.27Å; A135-Y143 VanDerWaalsContact O-O 3.1Å; A135-L145 HydrophobicContact CB-CD1 3.58Å
136K84.4Confident83.5Confident122 Ų12271.6 Ų71.653%0.5341%0.407SS..EExtended strand (participates in β ladder)trans-122.4141.5178-65.3177.7-175.3174.20109.9Q141 R142K136-Q141 CarbonylContact C-O 3.48Å; K136-Q141 VanDerWaalsContact CA-O 3.24Å; K136-Q141 WeakPolarHBondContact CA-O 3.42Å; K136-R142 HydrophobicContact CG-CG 4.1Å
137T81.6Confident83.5Confident39 Ų3971 Ų7124%0.23940%0.401CS..  trans-68.4167.8167.860.50000110.2S139 G140 Q141 Y143 W166T137-S139 PolarHBondContact O-N 3.01Å; T137-S139 PolarHBondContact OG1-N 2.91Å; T137-S139 PolarHBondContact OG1-OG 2.9Å; T137-G140 WeakPolarHBondContact O-CA 3.36Å; T137-G140 PolarHBondContact O-N 3.42Å; T137-G140 PolarHBondContact OG1-N 3.3Å; T137-Q141 HydrophobicContact CG2-CB 4.25Å; T137-Q141 PolarHBondContact N-O 3.31Å; T137-Q141 WeakPolarHBondContact OG1-CB 3.37Å; T137-Q141 PolarHBondContact OG1-N 3.25Å; T137-Q141 PolarHBondContact OG1-O 3.29Å; T137-Y143 HydrophobicContact CG2-CD1 4.13Å; T137-Y143 HydrophobicContact CG2-CE1 4.33Å; T137-W166 HydrophobicContact CG2-CH2 3.6Å; T137-W166 HydrophobicContact CG2-CZ3 4.16Å
138T79.6Confident82.5Confident163 Ų16372 Ų72100%140%0.396SS*.THydrogen-bonded Turntrans-58-25.9169.247.30000112.9G140T138-G140 VanDerWaalsContact C-N 3.29Å
139S85.5Confident81Confident84 Ų8478 Ų7859%0.58742%0.42SS*.THydrogen-bonded Turntrans-82.92.317257.20000114.4T137 Q141T137-S139 PolarHBondContact O-N 3.01Å; T137-S139 PolarHBondContact OG1-N 2.91Å; T137-S139 PolarHBondContact OG1-OG 2.9Å; S139-Q141 VanDerWaalsContact C-N 3.33Å; S139-Q141 PolarHBondContact O-N 3.21Å
140G83.5Confident79.4Confident45 Ų4579.5 Ų79.546%0.46443%0.432SS..  trans814179.200000115.3T137 T138T137-G140 WeakPolarHBondContact O-CA 3.36Å; T137-G140 PolarHBondContact O-N 3.42Å; T137-G140 PolarHBondContact OG1-N 3.3Å; T138-G140 VanDerWaalsContact C-N 3.29Å
141Q78.7Confident78.1Confident113 Ų11383.9 Ų83.953%0.52843%0.434SS..  trans-72.9133.8177.6-61.3-178.113.700110.4K136 T137 S139 W166K136-Q141 CarbonylContact C-O 3.48Å; K136-Q141 VanDerWaalsContact CA-O 3.24Å; K136-Q141 WeakPolarHBondContact CA-O 3.42Å; T137-Q141 HydrophobicContact CG2-CB 4.25Å; T137-Q141 PolarHBondContact N-O 3.31Å; T137-Q141 WeakPolarHBondContact OG1-CB 3.37Å; T137-Q141 PolarHBondContact OG1-N 3.25Å; T137-Q141 PolarHBondContact OG1-O 3.29Å; S139-Q141 VanDerWaalsContact C-N 3.33Å; S139-Q141 PolarHBondContact O-N 3.21Å; Q141-W166 HydrophobicContact CB-CZ3 3.92Å
142R86.2Confident76.8Confident94 Ų9493.1 Ų93.136%0.35546%0.461SS..EExtended strand (participates in β ladder)trans-84.4133.5-177.7-61.6172.1-177.3-156.5-6.1110.3D124 M134 A135 K136 W166D124-R142 VanDerWaalsContact CG-NH1 3.28Å; D124-R142 IonicContact OD1-CZ 3.13Å; D124-R142 IonicContact OD1-NH1 2.66Å; D124-R142 PolarHBondContact OD1-NH1 2.88Å; D124-R142 IonicContact OD1-NH2 3.73Å; D124-R142 IonicContact OD2-CZ 2.64Å; D124-R142 IonicContact OD2-NH1 2.99Å; D124-R142 PolarHBondContact OD2-NH1 2.66Å; D124-R142 VanDerWaalsContact OD2-NH1 3.13Å; D124-R142 IonicContact OD2-NH2 2.74Å; D124-R142 PolarHBondContact OD2-NH2 3.21Å; M134-R142 HydrophobicContact SD-CG 4.39Å; A135-R142 WeakPolarHBondContact O-CA 3.16Å; K136-R142 HydrophobicContact CG-CG 4.1Å; R142-W166 VanDerWaalsContact O-CE3 3.26Å
143Y82.6Confident75.2Confident60 Ų6098.7 Ų98.724%0.23549%0.49CS..EExtended strand (participates in β ladder)trans-133.7159.8170.767.9-81.8000109.9M134 A135 T137 L145 T164 W166M134-Y143 WeakPolarHBondContact CA-O 3.16Å; A135-Y143 HydrophobicContact CB-CD1 4.16Å; A135-Y143 HydrophobicContact CB-CD2 4.36Å; A135-Y143 HydrophobicContact CB-CE1 3.53Å; A135-Y143 HydrophobicContact CB-CE2 3.77Å; A135-Y143 WeakPolarHBondContact CB-OH 3.39Å; A135-Y143 PolarHBondContact N-O 2.91Å; A135-Y143 WeakPolarHBondContact O-CD1 3.18Å; A135-Y143 PolarHBondContact O-N 3.27Å; A135-Y143 VanDerWaalsContact O-O 3.1Å; T137-Y143 HydrophobicContact CG2-CD1 4.13Å; T137-Y143 HydrophobicContact CG2-CE1 4.33Å; Y143-L145 HydrophobicContact CD2-CD1 4Å; Y143-L145 HydrophobicContact CD2-CG 4.13Å; Y143-L145 HydrophobicContact CE2-CD1 3.59Å; Y143-L145 HydrophobicContact CE2-CD2 4.05Å; Y143-L145 HydrophobicContact CE2-CG 3.77Å; Y143-T164 HydrophobicContact CD2-CG2 4.25Å; Y143-T164 HydrophobicContact CE2-CG2 4.23Å; Y143-W166 HydrophobicContact CD1-CZ3 4.47Å; Y143-W166 HydrophobicContact CG-CZ3 4.47Å
144F88.4Confident73.5Confident9 Ų9103.2 Ų103.24%0.03951%0.511CS..EExtended strand (participates in β ladder)trans-119.4131.8-174.9-56.5-87.3000110L128 W132 E133 M134 T164 T165 D168L128-F144 HydrophobicContact CD2-CD1 3.62Å; L128-F144 HydrophobicContact CD2-CE1 3.65Å; W132-F144 HydrophobicContact CE3-CB 3.95Å; W132-F144 HydrophobicContact CZ3-CB 4.05Å; E133-F144 CarbonylContact O-C 3.53Å; E133-F144 WeakPolarHBondContact O-CA 3.3Å; M134-F144 HydrophobicContact CB-CD1 3.86Å; M134-F144 HydrophobicContact CB-CE1 3.83Å; M134-F144 HydrophobicContact CG-CD1 4.19Å; M134-F144 HydrophobicContact CG-CE1 3.82Å; M134-F144 HydrophobicContact CG-CZ 4.41Å; M134-F144 HydrophobicContact SD-CE1 4.28Å; F144-T164 CarbonylContact O-C 3.56Å; F144-T164 WeakPolarHBondContact O-CA 3.4Å; F144-T165 HydrophobicContact CB-CG2 4.1Å; F144-T165 PolarHBondContact N-O 3.44Å; F144-T165 PolarHBondContact O-N 3.38Å; F144-D168 HydrophobicContact CD2-CB 4.28Å; F144-D168 HydrophobicContact CE1-CB 4.16Å; F144-D168 HydrophobicContact CE2-CB 3.51Å; F144-D168 HydrophobicContact CZ-CB 3.43Å; F144-D168 VanDerWaalsContact CZ-CB 3.43Å; F144-D168 VanDerWaalsContact CZ-CG 3.43Å; F144-D168 WeakPolarHBondContact CZ-OD2 3.46Å
145L84.9Confident71.4Confident26 Ų26106.8 Ų106.814%0.13653%0.532CS..EExtended strand (participates in β ladder)trans-105.3128.3177-51.693.1000109.2W132 E133 A135 Y143 S163 T164W132-L145 CarbonylContact C-O 3.54Å; W132-L145 WeakPolarHBondContact CA-O 3.46Å; E133-L145 HydrophobicContact CB-CB 4.34Å; E133-L145 HydrophobicContact CB-CD1 4.25Å; E133-L145 HydrophobicContact CG-CD1 4.26Å; E133-L145 PolarHBondContact N-O 3.2Å; E133-L145 PolarHBondContact O-N 3.13Å; A135-L145 HydrophobicContact CB-CD1 3.58Å; Y143-L145 HydrophobicContact CD2-CD1 4Å; Y143-L145 HydrophobicContact CD2-CG 4.13Å; Y143-L145 HydrophobicContact CE2-CD1 3.59Å; Y143-L145 HydrophobicContact CE2-CD2 4.05Å; Y143-L145 HydrophobicContact CE2-CG 3.77Å; L145-S163 CarbonylContact C-O 3.56Å; L145-S163 WeakPolarHBondContact CA-O 2.97Å; L145-T164 HydrophobicContact CD2-CG2 4.13Å; L145-T164 HydrophobicContact CG-CG2 4.13Å
146K83Confident69.8Low86 Ų86114.2 Ų114.237%0.37457%0.566SS.*EExtended strand (participates in β ladder)trans-88.5107.6169.7-172.2-174.4179.1-165.90108.5G131 W132 Q148 S163G131-K146 CarbonylContact O-C 3.6Å; G131-K146 WeakPolarHBondContact O-CA 3.43Å; W132-K146 HydrophobicContact CZ2-CB 4.49Å; W132-K146 HydrophobicContact CZ2-CD 4.39Å; W132-K146 HydrophobicContact CZ2-CG 4.36Å; K146-Q148 PolarHBondContact O-N 3.48Å; K146-S163 PolarHBondContact N-O 3.16Å; K146-S163 PolarHBondContact O-N 2.88Å
147L78.6Confident68.1Low57 Ų57113.2 Ų113.230%0.29858%0.575SS.*EExtended strand (participates in β ladder)trans-86.597.1172.1-58.2178.6000108.7G131 E133 K149 K162G131-L147 WeakPolarHBondContact O-CA 3.11Å; G131-L147 PolarHBondContact O-N 2.72Å; E133-L147 HydrophobicContact CB-CD1 4.19Å; E133-L147 HydrophobicContact CB-CG 4.5Å; L147-K149 PolarHBondContact O-N 3.15Å; L147-K149 VanDerWaalsContact O-N 3.1Å; L147-K162 HydrophobicContact CD2-CG 4.07Å
148Q60.7Low66.5Low134 Ų134115.3 Ų115.363%0.62659%0.591SS**  trans-8092173.5-156.9153.6-23.700108.2K146 S150K146-Q148 PolarHBondContact O-N 3.48Å; Q148-S150 PolarHBondContact O-N 3.39Å; Q148-S150 VanDerWaalsContact O-N 3.1Å
149K52.3Low64.7Low175 Ų175114.3 Ų114.376%0.76158%0.575SS**  trans-67.5107.3173.2-67.4-174.8-178.6-1770108.1L147 E151L147-K149 PolarHBondContact O-N 3.15Å; L147-K149 VanDerWaalsContact O-N 3.1Å; K149-E151 PolarHBondContact O-N 3.02Å
150S50.1Low62.5Low76 Ų76116 Ų11653%0.53158%0.577SS.*  trans-73.1106.8168.145.50000108.6Q148 R152Q148-S150 PolarHBondContact O-N 3.39Å; Q148-S150 VanDerWaalsContact O-N 3.1Å; S150-R152 PolarHBondContact O-N 3.15Å
151E54.2Low61.1Low196 Ų196119 Ų11992%0.91658%0.583SS**  trans-70.321173.1-68.7177.3147.200113.4K149K149-E151 PolarHBondContact O-N 3.02Å
152R53.7Low60.3Low220 Ų220118.9 Ų118.983%0.8358%0.581SS**  trans-102.389.4172-72.2-160.6-139.5103.32.8109.8S150 Q154S150-R152 PolarHBondContact O-N 3.15Å; R152-Q154 PolarHBondContact O-N 3.26Å
153E53.1Low59.7Low194 Ų194117.9 Ų117.991%0.90759%0.588SS**  trans-64.779.9161.4-70.9178.3149.400109.9
154Q50Low59.6Low189 Ų189119.2 Ų119.288%0.88360%0.603SS**SBendtrans175.856.8155.3-104.5167.614.300111R152R152-Q154 PolarHBondContact O-N 3.26Å
155D45.5Very low59.2Low139 Ų139121 Ų12174%0.74361%0.614SS**  trans-159.598.6147.8-144-11.2000109.7S157D155-S157 VanDerWaalsContact C-N 3.33Å; D155-S157 PolarHBondContact O-N 3.43Å; D155-S157 VanDerWaalsContact O-N 3.15Å
156I49.8Very low59.3Low177 Ų177127.1 Ų127.191%0.90864%0.635SS**  trans-8679.6178.7-52.2169.2000106.7
157S48.5Very low59.4Low102 Ų102128.4 Ų128.471%0.71364%0.643SS**SBendtrans-157.7-31.9166.6-179.10000115.3D155D155-S157 VanDerWaalsContact C-N 3.33Å; D155-S157 PolarHBondContact O-N 3.43Å; D155-S157 VanDerWaalsContact O-N 3.15Å
158S47Very low59.7Low83 Ų83126.5 Ų126.558%0.5863%0.633SS**  trans-158.8108.2-170.1-62.90000108.1
159H41.6Very low60.7Low141 Ų141121 Ų12165%0.65361%0.609SS**  trans-177.684.2150.4-90.2-55.2000108.7D161H159-D161 IonicContact CE1-OD2 3.04Å; H159-D161 IonicContact ND1-OD2 3.16Å; H159-D161 PolarHBondContact ND1-OD2 3.45Å
160N40Very low62.2Low120 Ų120113.2 Ų113.264%0.64258%0.575SS**  trans-111.750.7169.8-102.2-14.4000108.4K162N160-K162 HydrophobicContact CB-CD 3.97Å; N160-K162 PolarHBondContact ND2-NZ 2.85Å; N160-K162 PolarHBondContact O-N 2.65Å; N160-K162 WeakPolarHBondContact OD1-CE 3.27Å; N160-K162 PolarHBondContact OD1-NZ 3.26Å
161D55.1Low63.6Low109 Ų109113.9 Ų113.958%0.58357%0.568SS**  trans-73.766.2177.3-66.1-35000109.9H159 S163H159-D161 IonicContact CE1-OD2 3.04Å; H159-D161 IonicContact ND1-OD2 3.16Å; H159-D161 PolarHBondContact ND1-OD2 3.45Å; D161-S163 PolarHBondContact O-N 3.33Å
162K61.2Low64.6Low110 Ų110107.5 Ų107.548%0.47855%0.549SS..EExtended strand (participates in β ladder)trans-83.7107.5172.7-65.5131.4174.8-1670106.6L147 N160L147-K162 HydrophobicContact CD2-CG 4.07Å; N160-K162 HydrophobicContact CB-CD 3.97Å; N160-K162 PolarHBondContact ND2-NZ 2.85Å; N160-K162 PolarHBondContact O-N 2.65Å; N160-K162 WeakPolarHBondContact OD1-CE 3.27Å; N160-K162 PolarHBondContact OD1-NZ 3.26Å
163S72.9Confident65.4Low73 Ų73102.9 Ų102.951%0.5154%0.54SS..EExtended strand (participates in β ladder)trans-93.7127.9172.8179.80000109.1L145 K146 D161L145-S163 CarbonylContact C-O 3.56Å; L145-S163 WeakPolarHBondContact CA-O 2.97Å; K146-S163 PolarHBondContact N-O 3.16Å; K146-S163 PolarHBondContact O-N 2.88Å; D161-S163 PolarHBondContact O-N 3.33Å
164T80.3Confident66.1Low88 Ų8897.5 Ų97.554%0.5452%0.517SS..EExtended strand (participates in β ladder)trans-99.2139176.457.70000110.7Y143 F144 L145Y143-T164 HydrophobicContact CD2-CG2 4.25Å; Y143-T164 HydrophobicContact CE2-CG2 4.23Å; F144-T164 CarbonylContact O-C 3.56Å; F144-T164 WeakPolarHBondContact O-CA 3.4Å; L145-T164 HydrophobicContact CD2-CG2 4.13Å; L145-T164 HydrophobicContact CG-CG2 4.13Å
165T81.2Confident66.7Low46 Ų4696.2 Ų96.228%0.28251%0.511SS..EExtended strand (participates in β ladder)trans-139148.7173.4179.20000111W132 F144 Q167W132-T165 HydrophobicContact CH2-CG2 3.91Å; W132-T165 HydrophobicContact CZ3-CG2 3.43Å; W132-T165 VanDerWaalsContact CZ3-CG2 3.43Å; F144-T165 HydrophobicContact CB-CG2 4.1Å; F144-T165 PolarHBondContact N-O 3.44Å; F144-T165 PolarHBondContact O-N 3.38Å; T165-Q167 VanDerWaalsContact C-N 3.31Å; T165-Q167 PolarHBondContact OG1-N 2.99Å
166W86.3Confident67.3Low154 Ų15494.7 Ų94.758%0.58351%0.507SS*.SBendtrans-83.8-11.5175-63.9104.1000112.8T137 Q141 R142 Y143T137-W166 HydrophobicContact CG2-CH2 3.6Å; T137-W166 HydrophobicContact CG2-CZ3 4.16Å; Q141-W166 HydrophobicContact CB-CZ3 3.92Å; R142-W166 VanDerWaalsContact O-CE3 3.26Å; Y143-W166 HydrophobicContact CD1-CZ3 4.47Å; Y143-W166 HydrophobicContact CG-CZ3 4.47Å
167Q85.1Confident67.6Low114 Ų11490.4 Ų90.453%0.53349%0.492SS..SBendtrans-92.9123.7-177.7-1587079.100111T165T165-Q167 VanDerWaalsContact C-N 3.31Å; T165-Q167 PolarHBondContact OG1-N 2.99Å
168D85Confident67.8Low16 Ų1691.4 Ų91.49%0.08649%0.486CS..  trans-62.1120.9174.4-169.7-32.4000111.3F144 R170 K171F144-D168 HydrophobicContact CD2-CB 4.28Å; F144-D168 HydrophobicContact CE1-CB 4.16Å; F144-D168 HydrophobicContact CE2-CB 3.51Å; F144-D168 HydrophobicContact CZ-CB 3.43Å; F144-D168 VanDerWaalsContact CZ-CB 3.43Å; F144-D168 VanDerWaalsContact CZ-CG 3.43Å; F144-D168 WeakPolarHBondContact CZ-OD2 3.46Å; D168-R170 PolarHBondContact O-N 3.5Å; D168-R170 WeakPolarHBondContact OD1-CB 2.92Å; D168-R170 VanDerWaalsContact OD1-CG 3.25Å; D168-R170 WeakPolarHBondContact OD1-CG 3.49Å; D168-R170 PolarHBondContact OD1-N 2.85Å; D168-R170 IonicContact OD1-NE 3.8Å; D168-R170 PolarHBondContact OD1-NE 3.06Å; D168-R170 IonicContact OD2-CZ 2.74Å; D168-R170 VanDerWaalsContact OD2-CZ 3.22Å; D168-R170 IonicContact OD2-NE 3.98Å; D168-R170 PolarHBondContact OD2-NE 2.99Å; D168-R170 IonicContact OD2-NH2 3.31Å; D168-R170 PolarHBondContact OD2-NH2 3.23Å; D168-K171 HydrophobicContact CB-CD 4.18Å; D168-K171 HydrophobicContact CB-CG 4.11Å; D168-K171 WeakPolarHBondContact O-CB 3.07Å; D168-K171 PolarHBondContact O-N 3.37Å; D168-K171 VanDerWaalsContact O-N 3.13Å
169P82.4Confident67.5Low18 Ų1893.6 Ų93.612%0.11750%0.498CS..Hα-helixtrans-62.6-23.8-18030-40000113L128 P129 W132 K171 A172 L173L128-P169 HydrophobicContact CD2-CG 3.96Å; P129-P169 HydrophobicContact CG-CB 4.11Å; P129-P169 HydrophobicContact CG-CG 4.1Å; W132-P169 HydrophobicContact CB-CG 4.3Å; W132-P169 HydrophobicContact CD2-CB 3.77Å; W132-P169 HydrophobicContact CD2-CG 3.58Å; W132-P169 HydrophobicContact CE3-CB 3.88Å; W132-P169 HydrophobicContact CE3-CG 3.52Å; W132-P169 HydrophobicContact CG-CB 4.36Å; W132-P169 HydrophobicContact CG-CG 3.94Å; W132-P169 HydrophobicContact CH2-CB 3.95Å; W132-P169 HydrophobicContact CH2-CG 4.47Å; W132-P169 HydrophobicContact CZ2-CB 3.87Å; W132-P169 HydrophobicContact CZ3-CB 3.94Å; W132-P169 HydrophobicContact CZ3-CG 3.96Å; P169-K171 VanDerWaalsContact C-N 3.26Å; P169-K171 PolarHBondContact O-N 2.74Å; P169-A172 PolarHBondContact O-N 3.31Å; P169-L173 PolarHBondContact O-N 3.14Å
170R83.1Confident67.6Low13 Ų1391.2 Ų91.25%0.04950%0.503CS..Hα-helixtrans-66.5-28.7177.8-57.9173.4-66172.65.6111.7I122 P123 V126 L128 D168 A172 L173 L174I122-R170 HydrophobicContact CG1-CB 4.3Å; I122-R170 HydrophobicContact CG2-CB 4.41Å; P123-R170 PolarHBondContact O-NH1 3.09Å; V126-R170 PolarHBondContact O-NH1 2.82Å; L128-R170 HydrophobicContact CD2-CG 4.36Å; D168-R170 PolarHBondContact O-N 3.5Å; D168-R170 WeakPolarHBondContact OD1-CB 2.92Å; D168-R170 VanDerWaalsContact OD1-CG 3.25Å; D168-R170 WeakPolarHBondContact OD1-CG 3.49Å; D168-R170 PolarHBondContact OD1-N 2.85Å; D168-R170 IonicContact OD1-NE 3.8Å; D168-R170 PolarHBondContact OD1-NE 3.06Å; D168-R170 IonicContact OD2-CZ 2.74Å; D168-R170 VanDerWaalsContact OD2-CZ 3.22Å; D168-R170 IonicContact OD2-NE 3.98Å; D168-R170 PolarHBondContact OD2-NE 2.99Å; D168-R170 IonicContact OD2-NH2 3.31Å; D168-R170 PolarHBondContact OD2-NH2 3.23Å; R170-A172 VanDerWaalsContact C-N 3.32Å; R170-A172 PolarHBondContact O-N 3.42Å; R170-L173 PolarHBondContact O-N 3.03Å; R170-L174 WeakPolarHBondContact O-CG 3.21Å; R170-L174 PolarHBondContact O-N 2.72Å
171K79.8Confident67.7Low89 Ų8990.6 Ų90.639%0.38751%0.506SS..Hα-helixtrans-62.6-39.1175.5-69.6-179.778.9-177.20112I122 D168 P169 L173 Q175I122-K171 HydrophobicContact CD1-CB 4.27Å; I122-K171 HydrophobicContact CD1-CD 4.15Å; I122-K171 HydrophobicContact CD1-CG 3.19Å; D168-K171 HydrophobicContact CB-CD 4.18Å; D168-K171 HydrophobicContact CB-CG 4.11Å; D168-K171 WeakPolarHBondContact O-CB 3.07Å; D168-K171 PolarHBondContact O-N 3.37Å; D168-K171 VanDerWaalsContact O-N 3.13Å; P169-K171 VanDerWaalsContact C-N 3.26Å; P169-K171 PolarHBondContact O-N 2.74Å; K171-L173 VanDerWaalsContact C-N 3.34Å; K171-Q175 WeakPolarHBondContact O-CB 3.46Å; K171-Q175 PolarHBondContact O-N 3.32Å; K171-Q175 VanDerWaalsContact O-N 3.15Å
172A74.6Confident66.9Low62 Ų6292 Ų9251%0.51252%0.521SS..Hα-helixtrans-67.1-37.8177.800000111.6P169 R170 T176P169-A172 PolarHBondContact O-N 3.31Å; R170-A172 VanDerWaalsContact C-N 3.32Å; R170-A172 PolarHBondContact O-N 3.42Å; A172-T176 PolarHBondContact O-OG1 2.85Å
173L70.8Confident65.9Low123 Ų12391.2 Ų91.264%0.64453%0.529SS*.Hα-helixtrans-67.1-46177.7-173.763.5000111.9P169 R170 K171 Q175 T176P169-L173 PolarHBondContact O-N 3.14Å; R170-L173 PolarHBondContact O-N 3.03Å; K171-L173 VanDerWaalsContact C-N 3.34Å; L173-Q175 VanDerWaalsContact C-N 3.3Å; L173-Q175 PolarHBondContact O-N 3.01Å; L173-T176 WeakPolarHBondContact O-CB 3.46Å; L173-T176 PolarHBondContact O-N 3.27Å; L173-T176 VanDerWaalsContact O-N 3.15Å
174L68.3Low64.6Low82 Ų8293.9 Ų93.943%0.42955%0.547SS..Hα-helixtrans-66.7-30.4180-70.4169.9000113.3I122 R170 T176 S177I122-L174 HydrophobicContact CD1-CD1 4.08Å; I122-L174 HydrophobicContact CG1-CD1 3.36Å; R170-L174 WeakPolarHBondContact O-CG 3.21Å; R170-L174 PolarHBondContact O-N 2.72Å; L174-T176 PolarHBondContact O-N 3.25Å; L174-S177 PolarHBondContact O-N 2.98Å; L174-S177 PolarHBondContact O-OG 3.41Å
175Q62.8Low62.8Low161 Ų16194.3 Ų94.375%0.75255%0.55SS*.Hα-helixtrans-66.1-23.9175.5-169.716752.200112.6K171 L173K171-Q175 WeakPolarHBondContact O-CB 3.46Å; K171-Q175 PolarHBondContact O-N 3.32Å; K171-Q175 VanDerWaalsContact O-N 3.15Å; L173-Q175 VanDerWaalsContact C-N 3.3Å; L173-Q175 PolarHBondContact O-N 3.01Å
176T58Low60.6Low107 Ų10798.4 Ų98.466%0.65658%0.577SS**Hα-helixtrans-79-22.3177.4-610000112.7A172 L173 L174A172-T176 PolarHBondContact O-OG1 2.85Å; L173-T176 WeakPolarHBondContact O-CB 3.46Å; L173-T176 PolarHBondContact O-N 3.27Å; L173-T176 VanDerWaalsContact O-N 3.15Å; L174-T176 PolarHBondContact O-N 3.25Å
177S55.7Low58.3Low87 Ų8797 Ų9761%0.60859%0.585SS**THydrogen-bonded Turntrans-89.610-174.244.50000116L174L174-S177 PolarHBondContact O-N 2.98Å; L174-S177 PolarHBondContact O-OG 3.41Å
178Q53.8Low55.9Low123 Ų12399.4 Ų99.458%0.57560%0.597SS**SBendtrans-88.9134.6175.4-71.1-165.2-23.200112.1Y120 A180Y120-Q178 PolarHBondContact OH-NE2 3.36Å; Q178-A180 PolarHBondContact O-N 2.98Å
179P40Very low53.7Low129 Ų129103.6 Ų103.684%0.83863%0.625SS**PPolyproline II helixtrans-68121.7174.126.5-31.2000110.4
180A42.9Very low51.5Low91 Ų91112.3 Ų112.375%0.75266%0.664SS**PPolyproline II helixtrans-73.4146.6179.800000112.4Q178Q178-A180 PolarHBondContact O-N 2.98Å
181P41.6Very low49.3Very low108 Ų108116.7 Ų116.770%0.70169%0.688SS**PPolyproline II helixtrans-68.5149.816529.2-32.6000110.9S183P181-S183 PolarHBondContact O-N 2.87Å
182P40.2Very low47.6Very low139 Ų139120.8 Ų120.890%0.90371%0.713SS**  trans-76.797.5-177.731.1-33.4000110.4
183S40.1Very low45.8Very low92 Ų92124.2 Ų124.264%0.64372%0.72SS**  trans-131.1125.2160.258.10000110.3P181 V185P181-S183 PolarHBondContact O-N 2.87Å; S183-V185 VanDerWaalsContact C-N 3.33Å; S183-V185 PolarHBondContact O-N 2.85Å
184S44.6Very low44.6Very low129 Ų129121.3 Ų121.390%0.90271%0.705SS**SBendtrans-72.478.7-173.3-39.60000111.4
185V42.6Very low43.6Very low98 Ų98122.7 Ų122.759%0.59472%0.72SS**SBendtrans-150.1130.1156.2-80.10000107.1S183 V187S183-V185 VanDerWaalsContact C-N 3.33Å; S183-V185 PolarHBondContact O-N 2.85Å; V185-V187 VanDerWaalsContact C-N 3.34Å; V185-V187 HydrophobicContact CG2-CG2 4.11Å; V185-V187 PolarHBondContact O-N 2.93Å
186P35.4Very low42.6Very low132 Ų132116.8 Ų116.886%0.85770%0.698SS**  trans-69.993.6178.928.3-32000109.1Q188P186-Q188 VanDerWaalsContact C-N 3.35Å; P186-Q188 PolarHBondContact O-N 2.79Å
187V37.4Very low42.3Very low124 Ų124118.8 Ų118.875%0.75271%0.705SS**  trans-83.488.7165.7-169.10000106.1V185V185-V187 VanDerWaalsContact C-N 3.34Å; V185-V187 HydrophobicContact CG2-CG2 4.11Å; V185-V187 PolarHBondContact O-N 2.93Å
188Q33.9Very low42.4Very low165 Ų165116.3 Ų116.377%0.77169%0.693SS**  trans-55.7138.3162.9-76.1179.6-18.400108P186 Q190P186-Q188 VanDerWaalsContact C-N 3.35Å; P186-Q188 PolarHBondContact O-N 2.79Å; Q188-Q190 PolarHBondContact O-N 2.79Å
189P40.1Very low43.2Very low104 Ų104116.5 Ų116.568%0.67571%0.705SS**  trans-56121.5174.423.5-30.9000107N191P189-N191 PolarHBondContact O-N 2.84Å
190Q35.5Very low45.1Very low200 Ų200112.3 Ų112.394%0.93568%0.675SS**  trans-67.679.9171.4-77.2-167.5-45.400107.7Q188Q188-Q190 PolarHBondContact O-N 2.79Å
191N37.8Very low47Very low105 Ų105110.4 Ų110.456%0.56166%0.655SS**  trans-49.1154.9157.3-155.4-54.6000107.9P189 M193P189-N191 PolarHBondContact O-N 2.84Å; N191-M193 PolarHBondContact O-N 3.34Å; N191-M193 WeakPolarHBondContact OD1-CE 3.3Å
192L43.8Very low48.7Very low175 Ų175113 Ų11392%0.91666%0.658SS**SBendtrans-67.732.4178.6-149.170.9000113
193M36.3Very low50.9Low134 Ų134111 Ų11166%0.6664%0.637SS**  trans-134.6124.3174.1-85.68078.600106.4N191N191-M193 PolarHBondContact O-N 3.34Å; N191-M193 WeakPolarHBondContact OD1-CE 3.3Å
194N45Very low53.1Low62 Ų62109.2 Ų109.233%0.33262%0.616SS.*  cis165.8165.322.8172.168000107.6A196 N197N194-A196 PolarHBondContact ND2-N 2.96Å; N194-A196 PolarHBondContact OD1-N 2.78Å; N194-N197 WeakPolarHBondContact ND2-CA 3.47Å; N194-N197 WeakPolarHBondContact ND2-CB 3.43Å; N194-N197 PolarHBondContact ND2-N 2.83Å; N194-N197 PolarHBondContact ND2-OD1 2.85Å; N194-N197 PolarHBondContact OD1-N 2.87Å
195P48.2Very low55.2Low112 Ų112107.4 Ų107.473%0.72759%0.593SS**SBend-145.667.7116.738.6-21.1000114.6
196A42.3Very low57.4Low37 Ų37107.2 Ų107.231%0.30659%0.586SS.*SBendtrans-154.925144.900000116.5N194 G198 R230 L231N194-A196 PolarHBondContact ND2-N 2.96Å; N194-A196 PolarHBondContact OD1-N 2.78Å; A196-G198 VanDerWaalsContact C-N 3.32Å; A196-G198 PolarHBondContact O-N 2.95Å; A196-R230 HydrophobicContact CB-CB 3.58Å; A196-R230 HydrophobicContact CB-CG 4.35Å; A196-L231 HydrophobicContact CB-CD2 4.31Å
197N51.2Low59.8Low149 Ų149101.6 Ų101.680%0.79755%0.55SS**  trans51.337.1142.6-110.974.2000116.2N194N194-N197 WeakPolarHBondContact ND2-CA 3.47Å; N194-N197 WeakPolarHBondContact ND2-CB 3.43Å; N194-N197 PolarHBondContact ND2-N 2.83Å; N194-N197 PolarHBondContact ND2-OD1 2.85Å; N194-N197 PolarHBondContact OD1-N 2.87Å
198G56.8Low62.2Low35 Ų35101.1 Ų101.136%0.36154%0.542SS..SBendtrans-161.2161.8173.900000110.9A196 R230A196-G198 VanDerWaalsContact C-N 3.32Å; A196-G198 PolarHBondContact O-N 2.95Å; G198-R230 PolarHBondContact O-NH1 3.14Å; G198-R230 VanDerWaalsContact O-NH1 3.08Å
199P70.8Confident64.6Low126 Ų12694.8 Ų94.882%0.81852%0.515SS*.PPolyproline II helixtrans-51.1149.5167.925.3-33.7000109.4
200L81.6Confident66.3Low41 Ų4195.4 Ų95.422%0.21552%0.522CS..PPolyproline II helixtrans-51.8142.9168.7-106.664.5000108.5W204 Q206 Y216L200-W204 HydrophobicContact CB-CB 4.15Å; L200-W204 HydrophobicContact CD2-CB 3.96Å; L200-W204 HydrophobicContact CG-CB 4.2Å; L200-Q206 HydrophobicContact CD2-CB 3.97Å; L200-Y216 HydrophobicContact CD2-CD1 4.11Å
201P82Confident68.2Low52 Ų5292.4 Ų92.434%0.33851%0.508SS..PPolyproline II helixtrans-54.1153.6175.9-21.531.9000110.5H203 W204 P229 R230P201-H203 PolarHBondContact O-N 3.08Å; P201-W204 HydrophobicContact CB-CG 4.46Å; P201-W204 WeakPolarHBondContact O-CB 3.16Å; P201-W204 PolarHBondContact O-N 2.93Å; P201-P229 HydrophobicContact CG-CB 4.27Å; P201-P229 HydrophobicContact CG-CG 4.27Å; P201-R230 HydrophobicContact CG-CG 4.35Å
202E76.9Confident70.2Confident161 Ų16189.9 Ų89.975%0.75251%0.507SS*.THydrogen-bonded Turntrans-55140.3-179-165148.1-171.100111.1W204E202-W204 VanDerWaalsContact C-N 3.25Å; E202-W204 PolarHBondContact O-N 3.43Å
203H85.6Confident72Confident99 Ų9986.8 Ų86.846%0.45849%0.487SS..THydrogen-bonded Turntrans67.810.7-172.4-43.1-60.5000116.2P201 N218 H219 E220P201-H203 PolarHBondContact O-N 3.08Å; H203-N218 CarbonylContact O-C 3.5Å; H203-N218 WeakPolarHBondContact O-CA 3.35Å; H203-H219 HydrophobicContact CB-CB 4.23Å; H203-H219 WeakPolarHBondContact O-CB 3.18Å; H203-H219 PolarHBondContact O-N 2.79Å; H203-E220 HydrophobicContact CB-CB 3.94Å
204W87.7Confident74.3Confident54 Ų5484.3 Ų84.321%0.20548%0.476CS..EExtended strand (participates in β ladder)trans-103.1136.4170.1-7079.9000112.4L200 P201 E202 I217 N218 P229L200-W204 HydrophobicContact CB-CB 4.15Å; L200-W204 HydrophobicContact CD2-CB 3.96Å; L200-W204 HydrophobicContact CG-CB 4.2Å; P201-W204 HydrophobicContact CB-CG 4.46Å; P201-W204 WeakPolarHBondContact O-CB 3.16Å; P201-W204 PolarHBondContact O-N 2.93Å; E202-W204 VanDerWaalsContact C-N 3.25Å; E202-W204 PolarHBondContact O-N 3.43Å; W204-I217 CarbonylContact C-O 3.51Å; W204-I217 VanDerWaalsContact CA-O 3.28Å; W204-I217 WeakPolarHBondContact CA-O 3.29Å; W204-N218 HydrophobicContact CD2-CB 3.98Å; W204-N218 VanDerWaalsContact CE2-ND2 3.31Å; W204-N218 HydrophobicContact CE3-CB 3.97Å; W204-N218 HydrophobicContact CH2-CB 3.89Å; W204-N218 HydrophobicContact CZ2-CB 3.86Å; W204-N218 WeakPolarHBondContact CZ2-ND2 3.49Å; W204-N218 HydrophobicContact CZ3-CB 3.94Å; W204-N218 PolarHBondContact NE1-ND2 3.24Å; W204-P229 HydrophobicContact CB-CG 4.23Å; W204-P229 HydrophobicContact CD2-CB 3.55Å; W204-P229 HydrophobicContact CD2-CG 3.48Å; W204-P229 VanDerWaalsContact CD2-CG 3.48Å; W204-P229 VanDerWaalsContact CE2-CB 3.46Å; W204-P229 HydrophobicContact CE3-CB 3.78Å; W204-P229 HydrophobicContact CE3-CG 3.52Å; W204-P229 HydrophobicContact CG-CB 4.14Å; W204-P229 HydrophobicContact CG-CG 3.83Å; W204-P229 HydrophobicContact CH2-CB 3.79Å; W204-P229 HydrophobicContact CH2-CG 4.41Å; W204-P229 HydrophobicContact CZ2-CB 3.59Å; W204-P229 HydrophobicContact CZ2-CG 4.42Å; W204-P229 HydrophobicContact CZ3-CB 3.89Å; W204-P229 HydrophobicContact CZ3-CG 3.99Å
205E88.8Confident76.3Confident90 Ų9084.3 Ų84.342%0.42147%0.472SS..EExtended strand (participates in β ladder)trans-123.2142.9174.5177.1-178.1166.900110Y216 I217 H219E205-Y216 CarbonylContact O-C 3.44Å; E205-Y216 VanDerWaalsContact O-CA 3.29Å; E205-Y216 WeakPolarHBondContact O-CA 3.3Å; E205-I217 HydrophobicContact CB-CB 4.29Å; E205-I217 PolarHBondContact N-O 2.92Å; E205-I217 PolarHBondContact O-N 2.79Å; E205-H219 IonicContact OE2-CD2 3.57Å; E205-H219 IonicContact OE2-CE1 3.37Å; E205-H219 PolarHBondContact OE2-CE1 2.72Å; E205-H219 VanDerWaalsContact OE2-CE1 3.31Å; E205-H219 IonicContact OE2-NE2 3.05Å; E205-H219 PolarHBondContact OE2-NE2 3.05Å
206Q88.3Confident78.2Confident95 Ų9580 Ų8044%0.44444%0.441SS..EExtended strand (participates in β ladder)trans-99125171.4-176.8-177.917.800108.6L200 I214 Y216L200-Q206 HydrophobicContact CD2-CB 3.97Å; Q206-I214 HydrophobicContact CG-CG2 3.75Å; Q206-Y216 HydrophobicContact CB-CD1 4.31Å; Q206-Y216 HydrophobicContact CB-CE1 4.27Å; Q206-Y216 HydrophobicContact CG-CD1 4.43Å; Q206-Y216 HydrophobicContact CG-CE1 4.06Å
207A85.5Confident80.4Confident14 Ų1479.9 Ų79.912%0.11644%0.435CS..EExtended strand (participates in β ladder)trans-127164.2179.400000110.8I214 Y215 I217A207-I214 WeakPolarHBondContact O-CA 3.5Å; A207-Y215 HydrophobicContact CB-CD1 4.09Å; A207-Y215 HydrophobicContact CB-CD2 4.28Å; A207-Y215 HydrophobicContact CB-CE1 3.51Å; A207-Y215 HydrophobicContact CB-CE2 3.74Å; A207-Y215 HydrophobicContact CB-CG 4.44Å; A207-Y215 PolarHBondContact N-O 2.83Å; A207-Y215 WeakPolarHBondContact O-CD1 3.28Å; A207-Y215 PolarHBondContact O-N 3.42Å; A207-Y215 VanDerWaalsContact O-O 3.06Å; A207-I217 HydrophobicContact CB-CD1 3.84Å; A207-I217 HydrophobicContact CB-CG1 4.33Å
208I87.9Confident82.1Confident113 Ų11373 Ų7358%0.57940%0.398SS*.EExtended strand (participates in β ladder)trans-125.3132.3-178.5-54.8176000108.2G212 E213 I214I208-G212 VanDerWaalsContact CG2-C 3.49Å; I208-E213 CarbonylContact C-O 3.53Å; I208-E213 VanDerWaalsContact CA-O 3.29Å; I208-E213 WeakPolarHBondContact CA-O 3.33Å; I208-I214 HydrophobicContact CG1-CG1 4.35Å
209T84.6Confident83.5Confident32 Ų3275.9 Ų75.920%0.19640%0.402CS..  trans-72.4168.8176.464.70000111.5E211 G212 E213 Y215 W226T209-E211 VanDerWaalsContact CB-OE2 3.32Å; T209-E211 WeakPolarHBondContact CB-OE2 3.29Å; T209-E211 PolarHBondContact O-N 3.2Å; T209-E211 VanDerWaalsContact O-N 3.14Å; T209-E211 PolarHBondContact OG1-N 2.69Å; T209-E211 PolarHBondContact OG1-OE2 3.06Å; T209-G212 PolarHBondContact O-N 2.87Å; T209-E213 HydrophobicContact CG2-CB 4.45Å; T209-E213 PolarHBondContact N-O 2.66Å; T209-E213 WeakPolarHBondContact OG1-CB 3.46Å; T209-E213 PolarHBondContact OG1-N 2.7Å; T209-E213 VanDerWaalsContact OG1-N 3.08Å; T209-Y215 HydrophobicContact CG2-CD1 3.57Å; T209-Y215 HydrophobicContact CG2-CE1 3.71Å; T209-W226 HydrophobicContact CG2-CH2 3.79Å; T209-W226 HydrophobicContact CG2-CZ3 4.21Å
210S76.1Confident84Confident117 Ų11776.1 Ų76.182%0.81839%0.392SS*.THydrogen-bonded Turntrans-58-24.9172.731.90000112.8G212S210-G212 VanDerWaalsContact C-N 3.3Å
211E74.3Confident84Confident138 Ų13881.1 Ų81.165%0.64541%0.412SS*.THydrogen-bonded Turntrans-85.5-2.6178.9-59.767.4-13900112.5T209 E213T209-E211 VanDerWaalsContact CB-OE2 3.32Å; T209-E211 WeakPolarHBondContact CB-OE2 3.29Å; T209-E211 PolarHBondContact O-N 3.2Å; T209-E211 VanDerWaalsContact O-N 3.14Å; T209-E211 PolarHBondContact OG1-N 2.69Å; T209-E211 PolarHBondContact OG1-OE2 3.06Å; E211-E213 HydrophobicContact CB-CG 4.45Å
212G80.1Confident84.1Confident52 Ų5289.7 Ų89.754%0.53644%0.438SS..SBendtrans85.510.8179.600000114.4I208 T209 S210I208-G212 VanDerWaalsContact CG2-C 3.49Å; T209-G212 PolarHBondContact O-N 2.87Å; S210-G212 VanDerWaalsContact C-N 3.3Å
213E81.8Confident84Confident110 Ų11085.1 Ų85.151%0.51442%0.421SS..  trans-85.6135.6-179.4-56.7-171.7120.900111.1I208 T209 E211 W226I208-E213 CarbonylContact C-O 3.53Å; I208-E213 VanDerWaalsContact CA-O 3.29Å; I208-E213 WeakPolarHBondContact CA-O 3.33Å; T209-E213 HydrophobicContact CG2-CB 4.45Å; T209-E213 PolarHBondContact N-O 2.66Å; T209-E213 WeakPolarHBondContact OG1-CB 3.46Å; T209-E213 PolarHBondContact OG1-N 2.7Å; T209-E213 VanDerWaalsContact OG1-N 3.08Å; E211-E213 HydrophobicContact CB-CG 4.45Å; E213-W226 HydrophobicContact CB-CH2 4.23Å; E213-W226 HydrophobicContact CB-CZ3 3.71Å
214I85.5Confident84.1Confident81 Ų8185.3 Ų85.342%0.41543%0.429SS..EExtended strand (participates in β ladder)trans-81.2129.9179-64.6170.2000109.6Q206 A207 I208 Y216Q206-I214 HydrophobicContact CG-CG2 3.75Å; A207-I214 WeakPolarHBondContact O-CA 3.5Å; I208-I214 HydrophobicContact CG1-CG1 4.35Å; I214-Y216 HydrophobicContact CG2-CE2 4.15Å
215Y85.9Confident83.8Confident62 Ų6284.2 Ų84.224%0.24343%0.43CS..EExtended strand (participates in β ladder)trans-134.2163.8170.669.9-78.5000111A207 T209 I217 T224A207-Y215 HydrophobicContact CB-CD1 4.09Å; A207-Y215 HydrophobicContact CB-CD2 4.28Å; A207-Y215 HydrophobicContact CB-CE1 3.51Å; A207-Y215 HydrophobicContact CB-CE2 3.74Å; A207-Y215 HydrophobicContact CB-CG 4.44Å; A207-Y215 PolarHBondContact N-O 2.83Å; A207-Y215 WeakPolarHBondContact O-CD1 3.28Å; A207-Y215 PolarHBondContact O-N 3.42Å; A207-Y215 VanDerWaalsContact O-O 3.06Å; T209-Y215 HydrophobicContact CG2-CD1 3.57Å; T209-Y215 HydrophobicContact CG2-CE1 3.71Å; Y215-I217 HydrophobicContact CD2-CG1 3.95Å; Y215-I217 HydrophobicContact CE2-CD1 3.74Å; Y215-I217 HydrophobicContact CE2-CG1 3.57Å; Y215-T224 HydrophobicContact CD2-CG2 4.41Å; Y215-T224 HydrophobicContact CE2-CG2 4.39Å
216Y88.5Confident83.7Confident23 Ų2387.4 Ų87.49%0.0944%0.438CS..EExtended strand (participates in β ladder)trans-119133.8-175.5-58.7-88.8000109.8L200 E205 Q206 I214 T224 S225 L227 D228L200-Y216 HydrophobicContact CD2-CD1 4.11Å; E205-Y216 CarbonylContact O-C 3.44Å; E205-Y216 VanDerWaalsContact O-CA 3.29Å; E205-Y216 WeakPolarHBondContact O-CA 3.3Å; Q206-Y216 HydrophobicContact CB-CD1 4.31Å; Q206-Y216 HydrophobicContact CB-CE1 4.27Å; Q206-Y216 HydrophobicContact CG-CD1 4.43Å; Q206-Y216 HydrophobicContact CG-CE1 4.06Å; I214-Y216 HydrophobicContact CG2-CE2 4.15Å; Y216-T224 CarbonylContact O-C 3.5Å; Y216-T224 VanDerWaalsContact O-CA 3.28Å; Y216-T224 WeakPolarHBondContact O-CA 3.35Å; Y216-S225 PolarHBondContact N-O 3.08Å; Y216-S225 PolarHBondContact O-N 2.77Å; Y216-L227 WeakPolarHBondContact CD2-O 3.39Å; Y216-D228 HydrophobicContact CD2-CB 4.47Å; Y216-D228 HydrophobicContact CE1-CB 4.14Å; Y216-D228 VanDerWaalsContact CE2-CA 3.46Å; Y216-D228 HydrophobicContact CE2-CB 3.77Å; Y216-D228 PolarHBondContact OH-OD2 2.68Å
217I87.9Confident83.5Confident34 Ų3486 Ų8617%0.17443%0.433CS..EExtended strand (participates in β ladder)trans-110.1124.2-179.9-52.6174.2000107.6W204 E205 A207 Y215 T224W204-I217 CarbonylContact C-O 3.51Å; W204-I217 VanDerWaalsContact CA-O 3.28Å; W204-I217 WeakPolarHBondContact CA-O 3.29Å; E205-I217 HydrophobicContact CB-CB 4.29Å; E205-I217 PolarHBondContact N-O 2.92Å; E205-I217 PolarHBondContact O-N 2.79Å; A207-I217 HydrophobicContact CB-CD1 3.84Å; A207-I217 HydrophobicContact CB-CG1 4.33Å; Y215-I217 HydrophobicContact CD2-CG1 3.95Å; Y215-I217 HydrophobicContact CE2-CD1 3.74Å; Y215-I217 HydrophobicContact CE2-CG1 3.57Å; I217-T224 HydrophobicContact CG1-CG2 4.16Å; I217-T224 HydrophobicContact CG2-CG2 4.47Å
218N87.6Confident83.3Confident4 Ų485.9 Ų85.92%0.02143%0.43CS..EExtended strand (participates in β ladder)trans-98.6109.8170.1-178.1-35.1000108.6H203 W204 E220 K221 R222 T223H203-N218 CarbonylContact O-C 3.5Å; H203-N218 WeakPolarHBondContact O-CA 3.35Å; W204-N218 HydrophobicContact CD2-CB 3.98Å; W204-N218 VanDerWaalsContact CE2-ND2 3.31Å; W204-N218 HydrophobicContact CE3-CB 3.97Å; W204-N218 HydrophobicContact CH2-CB 3.89Å; W204-N218 HydrophobicContact CZ2-CB 3.86Å; W204-N218 WeakPolarHBondContact CZ2-ND2 3.49Å; W204-N218 HydrophobicContact CZ3-CB 3.94Å; W204-N218 PolarHBondContact NE1-ND2 3.24Å; N218-E220 WeakPolarHBondContact OD1-CA 3.17Å; N218-E220 VanDerWaalsContact OD1-CB 3.3Å; N218-E220 WeakPolarHBondContact OD1-CB 3.28Å; N218-E220 PolarHBondContact OD1-N 3.38Å; N218-K221 PolarHBondContact OD1-N 3.09Å; N218-R222 CarbonylContact O-C 3.59Å; N218-R222 WeakPolarHBondContact O-CA 3.32Å; N218-R222 PolarHBondContact O-N 2.8Å; N218-T223 PolarHBondContact N-O 2.96Å; N218-T223 PolarHBondContact O-N 3.26Å; N218-T223 VanDerWaalsContact O-N 3.09Å
219H85.1Confident82.8Confident95 Ų9581.2 Ų81.244%0.4441%0.407SS..THydrogen-bonded Turntrans-75.1-24.7-180-69.1-74000113.5H203 E205H203-H219 HydrophobicContact CB-CB 4.23Å; H203-H219 WeakPolarHBondContact O-CB 3.18Å; H203-H219 PolarHBondContact O-N 2.79Å; E205-H219 IonicContact OE2-CD2 3.57Å; E205-H219 IonicContact OE2-CE1 3.37Å; E205-H219 PolarHBondContact OE2-CE1 2.72Å; E205-H219 VanDerWaalsContact OE2-CE1 3.31Å; E205-H219 IonicContact OE2-NE2 3.05Å; E205-H219 PolarHBondContact OE2-NE2 3.05Å
220E81.4Confident82.5Confident132 Ų13282.8 Ų82.862%0.61741%0.41SS*.THydrogen-bonded Turntrans-70.2-48.1176.1-175.7-167.2-171.300110.9H203 N218H203-E220 HydrophobicContact CB-CB 3.94Å; N218-E220 WeakPolarHBondContact OD1-CA 3.17Å; N218-E220 VanDerWaalsContact OD1-CB 3.3Å; N218-E220 WeakPolarHBondContact OD1-CB 3.28Å; N218-E220 PolarHBondContact OD1-N 3.38Å
221K82.1Confident82.3Confident146 Ų14679.2 Ų79.264%0.63538%0.381SS*.THydrogen-bonded Turntrans-93-7.6-178.5-63.9-177.3-177.8174.70113.3N218 T223N218-K221 PolarHBondContact OD1-N 3.09Å; K221-T223 HydrophobicContact CB-CG2 4.07Å; K221-T223 PolarHBondContact O-N 3.48Å
222R84.2Confident81.8Confident232 Ų23276.6 Ų76.688%0.87537%0.369SS*.THydrogen-bonded Turntrans51.544.8-172.2-55.9-176.8-177.9173.2-0.3111.9N218N218-R222 CarbonylContact O-C 3.59Å; N218-R222 WeakPolarHBondContact O-CA 3.32Å; N218-R222 PolarHBondContact O-N 2.8Å
223T75.3Confident81Confident65 Ų6578.9 Ų78.940%0.39938%0.375SS..EExtended strand (participates in β ladder)trans-121.4149.3-17954.80000110.7N218 K221N218-T223 PolarHBondContact N-O 2.96Å; N218-T223 PolarHBondContact O-N 3.26Å; N218-T223 VanDerWaalsContact O-N 3.09Å; K221-T223 HydrophobicContact CB-CG2 4.07Å; K221-T223 PolarHBondContact O-N 3.48Å
224T87.2Confident79.9Confident103 Ų10383.4 Ų83.463%0.63239%0.387SS*.EExtended strand (participates in β ladder)trans-108.6148170.656.80000110.5Y215 Y216 I217Y215-T224 HydrophobicContact CD2-CG2 4.41Å; Y215-T224 HydrophobicContact CE2-CG2 4.39Å; Y216-T224 CarbonylContact O-C 3.5Å; Y216-T224 VanDerWaalsContact O-CA 3.28Å; Y216-T224 WeakPolarHBondContact O-CA 3.35Å; I217-T224 HydrophobicContact CG1-CG2 4.16Å; I217-T224 HydrophobicContact CG2-CG2 4.47Å
225S81.3Confident78.6Confident30 Ų3084.4 Ų84.421%0.2139%0.386CS..EExtended strand (participates in β ladder)trans-141.7142.1179.1-175.10000110.5Y216 L227Y216-S225 PolarHBondContact N-O 3.08Å; Y216-S225 PolarHBondContact O-N 2.77Å; S225-L227 PolarHBondContact OG-N 3.07Å; S225-L227 PolarHBondContact OG-O 2.84Å
226W87.5Confident77.2Confident158 Ų15884.2 Ų84.260%0.59840%0.397SS*.SBendtrans-78.8-13.8168.9-62.8105.7000112.4T209 E213T209-W226 HydrophobicContact CG2-CH2 3.79Å; T209-W226 HydrophobicContact CG2-CZ3 4.21Å; E213-W226 HydrophobicContact CB-CH2 4.23Å; E213-W226 HydrophobicContact CB-CZ3 3.71Å
227L82.8Confident75.7Confident64 Ų6489.4 Ų89.434%0.33543%0.426SS..SBendtrans-93.9133.9-178.8-127.969.4000110.4Y216 S225 Y235Y216-L227 WeakPolarHBondContact CD2-O 3.39Å; S225-L227 PolarHBondContact OG-N 3.07Å; S225-L227 PolarHBondContact OG-O 2.84Å; L227-Y235 HydrophobicContact CD1-CD2 4.41Å; L227-Y235 HydrophobicContact CD1-CE2 4.49Å; L227-Y235 HydrophobicContact CD2-CD2 3.49Å; L227-Y235 VanDerWaalsContact CD2-CD2 3.49Å; L227-Y235 HydrophobicContact CD2-CE2 4.29Å; L227-Y235 HydrophobicContact CD2-CG 3.76Å; L227-Y235 HydrophobicContact CG-CD2 3.8Å; L227-Y235 HydrophobicContact CG-CE2 4.13Å; L227-Y235 HydrophobicContact CG-CG 4.43Å
228D82.6Confident74.2Confident12 Ų1291.5 Ų91.56%0.06444%0.438CS..  trans-64.7124.2174.4-172.8-31.6000109.5Y216 R230 L231 E232Y216-D228 HydrophobicContact CD2-CB 4.47Å; Y216-D228 HydrophobicContact CE1-CB 4.14Å; Y216-D228 VanDerWaalsContact CE2-CA 3.46Å; Y216-D228 HydrophobicContact CE2-CB 3.77Å; Y216-D228 PolarHBondContact OH-OD2 2.68Å; D228-R230 PolarHBondContact O-N 3.22Å; D228-R230 VanDerWaalsContact O-N 3.07Å; D228-R230 WeakPolarHBondContact OD1-CB 3.44Å; D228-R230 VanDerWaalsContact OD1-CG 3.3Å; D228-R230 WeakPolarHBondContact OD1-CG 3.3Å; D228-R230 IonicContact OD1-CZ 3.96Å; D228-R230 PolarHBondContact OD1-N 2.82Å; D228-R230 IonicContact OD1-NE 3.37Å; D228-R230 PolarHBondContact OD1-NE 3.39Å; D228-R230 IonicContact OD1-NH2 3.01Å; D228-R230 IonicContact OD2-CZ 2.68Å; D228-R230 VanDerWaalsContact OD2-CZ 3.27Å; D228-R230 IonicContact OD2-NE 3.92Å; D228-R230 PolarHBondContact OD2-NE 3.03Å; D228-R230 IonicContact OD2-NH2 3.03Å; D228-R230 PolarHBondContact OD2-NH2 3.4Å; D228-L231 HydrophobicContact CB-CB 4.38Å; D228-L231 HydrophobicContact CB-CD1 3.85Å; D228-L231 HydrophobicContact CB-CG 3.93Å; D228-L231 PolarHBondContact O-N 2.77Å; D228-E232 PolarHBondContact O-N 3.22Å
229P77.4Confident72.5Confident15 Ų1597.9 Ų97.910%0.09747%0.467CS..THydrogen-bonded Turntrans-58-23.3178.826.4-38.5000113.6P201 W204 L231P201-P229 HydrophobicContact CG-CB 4.27Å; P201-P229 HydrophobicContact CG-CG 4.27Å; W204-P229 HydrophobicContact CB-CG 4.23Å; W204-P229 HydrophobicContact CD2-CB 3.55Å; W204-P229 HydrophobicContact CD2-CG 3.48Å; W204-P229 VanDerWaalsContact CD2-CG 3.48Å; W204-P229 VanDerWaalsContact CE2-CB 3.46Å; W204-P229 HydrophobicContact CE3-CB 3.78Å; W204-P229 HydrophobicContact CE3-CG 3.52Å; W204-P229 HydrophobicContact CG-CB 4.14Å; W204-P229 HydrophobicContact CG-CG 3.83Å; W204-P229 HydrophobicContact CH2-CB 3.79Å; W204-P229 HydrophobicContact CH2-CG 4.41Å; W204-P229 HydrophobicContact CZ2-CB 3.59Å; W204-P229 HydrophobicContact CZ2-CG 4.42Å; W204-P229 HydrophobicContact CZ3-CB 3.89Å; W204-P229 HydrophobicContact CZ3-CG 3.99Å; P229-L231 PolarHBondContact O-N 3.01Å
230R77.4Confident70.9Confident66 Ų66100.1 Ų100.125%0.24948%0.478CS..THydrogen-bonded Turntrans-73.3-16.3176.5-57.9173.7-67.4-173.21.6112.6A196 G198 P201 D228A196-R230 HydrophobicContact CB-CB 3.58Å; A196-R230 HydrophobicContact CB-CG 4.35Å; G198-R230 PolarHBondContact O-NH1 3.14Å; G198-R230 VanDerWaalsContact O-NH1 3.08Å; P201-R230 HydrophobicContact CG-CG 4.35Å; D228-R230 PolarHBondContact O-N 3.22Å; D228-R230 VanDerWaalsContact O-N 3.07Å; D228-R230 WeakPolarHBondContact OD1-CB 3.44Å; D228-R230 VanDerWaalsContact OD1-CG 3.3Å; D228-R230 WeakPolarHBondContact OD1-CG 3.3Å; D228-R230 IonicContact OD1-CZ 3.96Å; D228-R230 PolarHBondContact OD1-N 2.82Å; D228-R230 IonicContact OD1-NE 3.37Å; D228-R230 PolarHBondContact OD1-NE 3.39Å; D228-R230 IonicContact OD1-NH2 3.01Å; D228-R230 IonicContact OD2-CZ 2.68Å; D228-R230 VanDerWaalsContact OD2-CZ 3.27Å; D228-R230 IonicContact OD2-NE 3.92Å; D228-R230 PolarHBondContact OD2-NE 3.03Å; D228-R230 IonicContact OD2-NH2 3.03Å; D228-R230 PolarHBondContact OD2-NH2 3.4Å
231L72.3Confident69.4Low41 Ų41102.7 Ų102.722%0.21548%0.482CS..THydrogen-bonded Turntrans-107.5-9.5-178-54.4177.6000112.9A196 D228 P229 P233 R234 Y235A196-L231 HydrophobicContact CB-CD2 4.31Å; D228-L231 HydrophobicContact CB-CB 4.38Å; D228-L231 HydrophobicContact CB-CD1 3.85Å; D228-L231 HydrophobicContact CB-CG 3.93Å; D228-L231 PolarHBondContact O-N 2.77Å; P229-L231 PolarHBondContact O-N 3.01Å; L231-P233 VanDerWaalsContact C-CD 3.43Å; L231-P233 VanDerWaalsContact C-N 3.34Å; L231-R234 WeakPolarHBondContact O-CA 3.21Å; L231-R234 WeakPolarHBondContact O-CB 3.47Å; L231-R234 PolarHBondContact O-N 2.85Å; L231-Y235 HydrophobicContact CB-CD2 3.54Å; L231-Y235 HydrophobicContact CB-CE2 3.18Å; L231-Y235 HydrophobicContact CD1-CE2 3.72Å; L231-Y235 HydrophobicContact CG-CE2 4.06Å; L231-Y235 WeakPolarHBondContact O-CD2 3.18Å; L231-Y235 PolarHBondContact O-N 2.91Å; L231-Y235 VanDerWaalsContact O-N 3.08Å
232E64.6Low67.5Low84 Ų84100.8 Ų100.839%0.39348%0.477SS..Hα-helixtrans-45.4-46.3175.9-85.8-74.6139.500113.9D228 R234 Y235 A236D228-E232 PolarHBondContact O-N 3.22Å; E232-R234 PolarHBondContact O-N 2.84Å; E232-Y235 PolarHBondContact O-N 3.05Å; E232-A236 WeakPolarHBondContact O-CB 3.5Å; E232-A236 PolarHBondContact O-N 2.98Å
233P63Low65.6Low100 Ų10095.6 Ų95.665%0.64947%0.471SS*.Hα-helixtrans-62.9-28.5179-21.432.8000113.7L231L231-P233 VanDerWaalsContact C-CD 3.43Å; L231-P233 VanDerWaalsContact C-N 3.34Å
234R58.5Low64.2Low205 Ų20598.5 Ų98.577%0.77448%0.48SS*.Hα-helixtrans-82.9-34.4180-72.2-82.9165.3108-5.3111.7L231 E232L231-R234 WeakPolarHBondContact O-CA 3.21Å; L231-R234 WeakPolarHBondContact O-CB 3.47Å; L231-R234 PolarHBondContact O-N 2.85Å; E232-R234 PolarHBondContact O-N 2.84Å
235Y58.5Low62.3Low102 Ų10298.4 Ų98.440%0.448%0.484SS..Hα-helixtrans-81.7-30.9179.5-66.4-62.3000113.4L227 L231 E232 L237 N238 Q239L227-Y235 HydrophobicContact CD1-CD2 4.41Å; L227-Y235 HydrophobicContact CD1-CE2 4.49Å; L227-Y235 HydrophobicContact CD2-CD2 3.49Å; L227-Y235 VanDerWaalsContact CD2-CD2 3.49Å; L227-Y235 HydrophobicContact CD2-CE2 4.29Å; L227-Y235 HydrophobicContact CD2-CG 3.76Å; L227-Y235 HydrophobicContact CG-CD2 3.8Å; L227-Y235 HydrophobicContact CG-CE2 4.13Å; L227-Y235 HydrophobicContact CG-CG 4.43Å; L231-Y235 HydrophobicContact CB-CD2 3.54Å; L231-Y235 HydrophobicContact CB-CE2 3.18Å; L231-Y235 HydrophobicContact CD1-CE2 3.72Å; L231-Y235 HydrophobicContact CG-CE2 4.06Å; L231-Y235 WeakPolarHBondContact O-CD2 3.18Å; L231-Y235 PolarHBondContact O-N 2.91Å; L231-Y235 VanDerWaalsContact O-N 3.08Å; E232-Y235 PolarHBondContact O-N 3.05Å; Y235-L237 VanDerWaalsContact C-N 3.26Å; Y235-L237 PolarHBondContact O-N 3.37Å; Y235-N238 PolarHBondContact O-N 2.86Å; Y235-N238 VanDerWaalsContact O-N 3.12Å; Y235-Q239 VanDerWaalsContact O-CG 3.31Å; Y235-Q239 WeakPolarHBondContact O-CG 3.43Å; Y235-Q239 PolarHBondContact O-N 3.31Å
236A56.3Low60.1Low57 Ų57101.7 Ų101.747%0.47151%0.512SS..Hα-helixtrans-59.3-36.4173.200000112.6E232 N238E232-A236 WeakPolarHBondContact O-CB 3.5Å; E232-A236 PolarHBondContact O-N 2.98Å; A236-N238 VanDerWaalsContact C-N 3.34Å
237L57.4Low58.3Low132 Ų132100.5 Ų100.569%0.69153%0.525SS*.Hα-helixtrans-71.4-27.7177.4-168.463.4000112.8Y235Y235-L237 VanDerWaalsContact C-N 3.26Å; Y235-L237 PolarHBondContact O-N 3.37Å
238N56.1Low56.1Low79 Ų79101.2 Ų101.242%0.42255%0.547SS..Hα-helixtrans-86.1-30.2178.9-113.1-2.1000112.9Y235 A236 Q240 R241 M242Y235-N238 PolarHBondContact O-N 2.86Å; Y235-N238 VanDerWaalsContact O-N 3.12Å; A236-N238 VanDerWaalsContact C-N 3.34Å; N238-Q240 PolarHBondContact O-N 3.46Å; N238-R241 WeakPolarHBondContact O-CB 3.16Å; N238-R241 PolarHBondContact O-N 3.24Å; N238-M242 HydrophobicContact CB-CE 4.36Å; N238-M242 PolarHBondContact O-N 3.5Å
239Q52.2Low53.9Low137 Ų137110.2 Ų110.264%0.6459%0.586SS**Hα-helixtrans-61.5-30.5175.9-72.4-93.284.500112.6Y235 R241Y235-Q239 VanDerWaalsContact O-CG 3.31Å; Y235-Q239 WeakPolarHBondContact O-CG 3.43Å; Y235-Q239 PolarHBondContact O-N 3.31Å; Q239-R241 VanDerWaalsContact C-N 3.25Å; Q239-R241 PolarHBondContact O-N 2.98Å
240Q50.1Low51.9Low143 Ų143118.5 Ų118.567%0.66862%0.623SS**Hα-helixtrans-71.3-16.5173.1-73.8-176.6-24.100113.8N238N238-Q240 PolarHBondContact O-N 3.46Å
241R51.2Low49.7Very low185 Ų185120.8 Ų120.870%0.69865%0.65SS**Hα-helixtrans-89.5-29.5176.8-167.7174.6179.6-88.8-0.3112.5N238 Q239N238-R241 WeakPolarHBondContact O-CB 3.16Å; N238-R241 PolarHBondContact O-N 3.24Å; Q239-R241 VanDerWaalsContact C-N 3.25Å; Q239-R241 PolarHBondContact O-N 2.98Å
242M41.4Very low48Very low107 Ų107122.4 Ų122.453%0.52768%0.676SS.*Hα-helixtrans-82.3-17.2-174.8-89.671.6131.200115.1N238 Q244N238-M242 HydrophobicContact CB-CE 4.36Å; N238-M242 PolarHBondContact O-N 3.5Å; M242-Q244 PolarHBondContact O-N 3.36Å
243T45.1Very low46.5Very low123 Ų123128 Ų12876%0.75570%0.702SS**THydrogen-bonded Turntrans-79.66.1175.356.60000113.9
244Q44.5Very low45Very low125 Ų125131 Ų13158%0.58471%0.712SS**THydrogen-bonded Turntrans-116.735.6179.5-71.7-173.683.600114M242M242-Q244 PolarHBondContact O-N 3.36Å
245S47.4Very low45.3Very low102 Ų102126.5 Ų126.571%0.71371%0.709SS**  trans-144.788.6173.247.70000113.5
246A34.9Very low44.7Very low98 Ų98127.6 Ų127.681%0.8173%0.729SS**SBendtrans-156152.8151.400000109.1
247P50.3Low44.2Very low134 Ų134129.6 Ų129.687%0.8774%0.739SS**  -110.4145.1-120.337.5-31.8000115.4
248G35.9Very low43.1Very low78 Ų78128.6 Ų128.680%0.80474%0.739SS**  trans-120.1122.5163.800000110.1
249K37.6Very low42.3Very low201 Ų201133.2 Ų133.287%0.87476%0.758SS**  trans-70.8161.1-179.1-73.2179.3172.7178.50112.9
250Q35.1Very low41.6Very low189 Ų189130.7 Ų130.788%0.88377%0.768SS**  trans90.9129.8166.1-53.9-178.6-200114.9
251S31.6Very low41.3Very low115 Ų115127.3 Ų127.380%0.80477%0.772SS**  cis-171.3140.2-1.244.40000109.2
252G36.4Very low40.9Very low74 Ų74125.6 Ų125.676%0.76378%0.782SS**  trans66.7109.6147.200000122
253Q33.5Very low41.2Very low202 Ų202130.1 Ų130.194%0.94480%0.804SS**  155.7136.9116.3-82.7-172.49.900112.6
254L30.7Very low41.5Very low164 Ų164128.7 Ų128.786%0.85981%0.805SS**  trans-96172174.3-81.7169.3000110.2
255P66.2Low42.1Very low110 Ų110125.8 Ų125.871%0.71481%0.808SS**  -110.3-171.8-10529.8-4.8000112.2
256P45.4Very low42.6Very low124 Ų124126.6 Ų126.681%0.80580%0.804SS**  -142.2153.497.533.7-17.1000114.4
257S44.4Very low44.2Very low99 Ų99127.7 Ų127.769%0.69280%0.796SS**  trans-55.2137.3165.943.90000112.3
258T35.8Very low45.2Very low112 Ų112128.6 Ų128.669%0.68779%0.789SS**  168.6144.5113.642.60000113.4
259H38.2Very low47.3Very low176 Ų176130.5 Ų130.582%0.81578%0.78SS**  trans69.5107.1160-50.5115.1000121.1
260G37.3Very low49.2Very low84 Ų84127.9 Ų127.987%0.86677%0.765SS**  61.9111.9117.400000120.8
261G44.3Very low51.4Low72 Ų72124.5 Ų124.574%0.74275%0.752SS**  trans95.3144.8144.500000117.4
262V43.7Very low53.9Low149 Ų149125.2 Ų125.290%0.90374%0.743SS**  trans67.381.5168.2-73.50000119.6
263M46.7Very low56.2Low202 Ų202126 Ų126100%0.99573%0.727SS**  trans-99.585.1156.8-81.7-107-80.700110.3
264A51.4Low58.7Low93 Ų93121.2 Ų121.277%0.76971%0.706SS**  trans-142.422.4172.900000113.8
265G56.5Low61.3Low63 Ų63118.8 Ų118.865%0.64969%0.691SS**SBendtrans-110.7-15-172.300000117.2
266N59.8Low62.3Low119 Ų119119 Ų11964%0.63668%0.681SS**SBendtrans-102.81.6-164-126.5-42.5000115.6
267N67.4Low64Low121 Ų121116.5 Ų116.565%0.64766%0.66SS**Hα-helixtrans-76.6-29.5-174.9-63.6-11.2000112.7L271N267-L271 PolarHBondContact O-N 3.08Å
268Q71.1Confident66.1Low153 Ų153118.7 Ų118.772%0.71565%0.653SS**Hα-helixtrans-73.8-43.3-174.8-65-171.165.400113.1R270 L271 Q272Q268-R270 VanDerWaalsContact C-N 3.29Å; Q268-R270 PolarHBondContact O-N 3.04Å; Q268-L271 PolarHBondContact O-N 2.92Å; Q268-Q272 PolarHBondContact O-N 3.35Å
269L79.8Confident68.5Low119 Ų119118.6 Ų118.662%0.62365%0.648SS**Hα-helixtrans-63.7-38.1174.5-85156.1000111.3Q272 Q273L269-Q272 PolarHBondContact O-N 3.34Å; L269-Q273 PolarHBondContact O-N 3.28Å; L269-Q273 VanDerWaalsContact O-N 3.07Å
270R78.5Confident70.7Confident146 Ų146118.7 Ų118.755%0.55164%0.641SS**Hα-helixtrans-65.8-39.7176.5-171.6155.6-177.1165.3-0.7112.4Q268 Q273 I274Q268-R270 VanDerWaalsContact C-N 3.29Å; Q268-R270 PolarHBondContact O-N 3.04Å; R270-Q273 PolarHBondContact O-N 3.35Å; R270-I274 HydrophobicContact CG-CD1 4.13Å; R270-I274 WeakPolarHBondContact O-CD1 3.39Å; R270-I274 VanDerWaalsContact O-CG1 3.29Å; R270-I274 WeakPolarHBondContact O-CG1 3.39Å; R270-I274 PolarHBondContact O-N 2.94Å
271L81.1Confident72.8Confident117 Ų117120.6 Ų120.661%0.61363%0.631SS**Hα-helixtrans-63.8-43.4173.8-110.769.2000112.3N267 Q268 Q273 I274 E275N267-L271 PolarHBondContact O-N 3.08Å; Q268-L271 PolarHBondContact O-N 2.92Å; L271-Q273 VanDerWaalsContact C-N 3.3Å; L271-Q273 PolarHBondContact O-N 2.88Å; L271-I274 PolarHBondContact O-N 3.21Å; L271-E275 PolarHBondContact O-N 2.91Å
272Q84.1Confident74.7Confident130 Ų130122.8 Ų122.861%0.60762%0.622SS**Hα-helixtrans-60.7-39.8176.6-86.7170.756.300112.3Q268 L269 E275 K276Q268-Q272 PolarHBondContact O-N 3.35Å; L269-Q272 PolarHBondContact O-N 3.34Å; Q272-E275 PolarHBondContact O-N 3.25Å; Q272-K276 WeakPolarHBondContact O-CB 3.31Å; Q272-K276 PolarHBondContact O-N 2.95Å
273Q83.6Confident76.3Confident92 Ų92122.8 Ų122.843%0.4361%0.612SS.*Hα-helixtrans-65.8-44.4176.1-173.864.644.200111.8L269 R270 L271 E275 K276 D277L269-Q273 PolarHBondContact O-N 3.28Å; L269-Q273 VanDerWaalsContact O-N 3.07Å; R270-Q273 PolarHBondContact O-N 3.35Å; L271-Q273 VanDerWaalsContact C-N 3.3Å; L271-Q273 PolarHBondContact O-N 2.88Å; Q273-E275 VanDerWaalsContact C-N 3.3Å; Q273-E275 PolarHBondContact O-N 3.19Å; Q273-K276 VanDerWaalsContact NE2-CE 3.29Å; Q273-K276 PolarHBondContact O-N 2.97Å; Q273-D277 PolarHBondContact NE2-OD1 3.44Å; Q273-D277 VanDerWaalsContact NE2-OD1 3.14Å; Q273-D277 PolarHBondContact NE2-OD2 2.99Å; Q273-D277 WeakPolarHBondContact O-CB 3.41Å; Q273-D277 VanDerWaalsContact O-CG 3.28Å; Q273-D277 PolarHBondContact O-N 3.02Å
274I87.4Confident77.5Confident100 Ų100117.8 Ų117.851%0.51359%0.586SS.*Hα-helixtrans-58.7-43.8176.5-70.7159000110.7R270 L271 D277 R278R270-I274 HydrophobicContact CG-CD1 4.13Å; R270-I274 WeakPolarHBondContact O-CD1 3.39Å; R270-I274 VanDerWaalsContact O-CG1 3.29Å; R270-I274 WeakPolarHBondContact O-CG1 3.39Å; R270-I274 PolarHBondContact O-N 2.94Å; L271-I274 PolarHBondContact O-N 3.21Å; I274-D277 PolarHBondContact O-N 2.74Å; I274-R278 WeakPolarHBondContact O-CB 3.38Å; I274-R278 PolarHBondContact O-N 3.12Å
275E85.1Confident78.4Confident114 Ų114120.9 Ų120.953%0.53358%0.578SS.*Hα-helixtrans-66.9-41.5179.7-174.1159.5-90.600112.2L271 Q272 Q273 D277 R278 L279L271-E275 PolarHBondContact O-N 2.91Å; Q272-E275 PolarHBondContact O-N 3.25Å; Q273-E275 VanDerWaalsContact C-N 3.3Å; Q273-E275 PolarHBondContact O-N 3.19Å; E275-D277 VanDerWaalsContact C-N 3.32Å; E275-D277 PolarHBondContact O-N 2.78Å; E275-R278 WeakPolarHBondContact O-CB 3.49Å; E275-R278 PolarHBondContact O-N 3.33Å; E275-R278 IonicContact OE1-NH1 3.22Å; E275-R278 PolarHBondContact OE1-NH1 2.93Å; E275-L279 PolarHBondContact O-N 3.37Å
276K86.6Confident78.9Confident115 Ų115121.8 Ų121.850%0.557%0.572SS.*Hα-helixtrans-59.9-42.8174.6-170.1-17866.762.60111.8Q272 Q273 L279 R280Q272-K276 WeakPolarHBondContact O-CB 3.31Å; Q272-K276 PolarHBondContact O-N 2.95Å; Q273-K276 VanDerWaalsContact NE2-CE 3.29Å; Q273-K276 PolarHBondContact O-N 2.97Å; K276-L279 PolarHBondContact O-N 2.85Å; K276-R280 PolarHBondContact O-N 3.29Å; K276-R280 VanDerWaalsContact O-N 3.07Å
277D81.8Confident79.4Confident70 Ų70122.8 Ų122.837%0.37457%0.573SS.*Hα-helixtrans-72.4-34.4180-65.5-21.5000111.5Q273 I274 E275 L279 R280 L281Q273-D277 PolarHBondContact NE2-OD1 3.44Å; Q273-D277 VanDerWaalsContact NE2-OD1 3.14Å; Q273-D277 PolarHBondContact NE2-OD2 2.99Å; Q273-D277 WeakPolarHBondContact O-CB 3.41Å; Q273-D277 VanDerWaalsContact O-CG 3.28Å; Q273-D277 PolarHBondContact O-N 3.02Å; I274-D277 PolarHBondContact O-N 2.74Å; E275-D277 VanDerWaalsContact C-N 3.32Å; E275-D277 PolarHBondContact O-N 2.78Å; D277-L279 VanDerWaalsContact C-N 3.34Å; D277-L279 PolarHBondContact O-N 2.77Å; D277-R280 PolarHBondContact O-N 3.38Å; D277-L281 WeakPolarHBondContact O-CB 3.48Å; D277-L281 PolarHBondContact O-N 3.28Å
278R88.3Confident79.4Confident145 Ų145123.9 Ų123.955%0.54757%0.574SS.*Hα-helixtrans-59.7-43.5170.5-163.2-170.687.8-138.11.9111.5I274 E275 L281 Q282I274-R278 WeakPolarHBondContact O-CB 3.38Å; I274-R278 PolarHBondContact O-N 3.12Å; E275-R278 WeakPolarHBondContact O-CB 3.49Å; E275-R278 PolarHBondContact O-N 3.33Å; E275-R278 IonicContact OE1-NH1 3.22Å; E275-R278 PolarHBondContact OE1-NH1 2.93Å; R278-L281 PolarHBondContact O-N 3.11Å; R278-Q282 WeakPolarHBondContact O-CB 3.46Å; R278-Q282 PolarHBondContact O-N 2.95Å
279L85.9Confident79Confident110 Ų110121.3 Ų121.358%0.57657%0.565SS**Hα-helixtrans-67.7-40.6180-15970.2000111.5E275 K276 D277 L281 Q282 Q283E275-L279 PolarHBondContact O-N 3.37Å; K276-L279 PolarHBondContact O-N 2.85Å; D277-L279 VanDerWaalsContact C-N 3.34Å; D277-L279 PolarHBondContact O-N 2.77Å; L279-L281 PolarHBondContact O-N 2.9Å; L279-Q282 PolarHBondContact O-N 3.32Å; L279-Q283 PolarHBondContact O-N 3.26Å
280R84.6Confident78.5Confident179 Ų179118.3 Ų118.368%0.67556%0.557SS**Hα-helixtrans-62-42.4175.3-157.8-168.5-171.2-169.93.6111.9K276 D277 Q283 H284K276-R280 PolarHBondContact O-N 3.29Å; K276-R280 VanDerWaalsContact O-N 3.07Å; D277-R280 PolarHBondContact O-N 3.38Å; R280-Q283 PolarHBondContact O-N 3.37Å; R280-H284 PolarHBondContact O-N 3.12Å
281L80.3Confident77.9Confident123 Ų123117.4 Ų117.464%0.64456%0.562SS**Hα-helixtrans-71.7-35.5179.7-163.167.2000112.3D277 R278 L279 Q283 H284 R285D277-L281 WeakPolarHBondContact O-CB 3.48Å; D277-L281 PolarHBondContact O-N 3.28Å; R278-L281 PolarHBondContact O-N 3.11Å; L279-L281 PolarHBondContact O-N 2.9Å; L281-Q283 VanDerWaalsContact C-N 3.28Å; L281-Q283 PolarHBondContact O-N 3.23Å; L281-H284 PolarHBondContact O-N 2.84Å; L281-R285 PolarHBondContact O-N 3.1Å; L281-R285 VanDerWaalsContact O-N 3.13Å
282Q84.1Confident76.8Confident119 Ų119121.1 Ų121.156%0.55657%0.568SS**Hα-helixtrans-61.8-36.8174.5-171-174.67800111.7R278 L279 P286R278-Q282 WeakPolarHBondContact O-CB 3.46Å; R278-Q282 PolarHBondContact O-N 2.95Å; L279-Q282 PolarHBondContact O-N 3.32Å; Q282-P286 VanDerWaalsContact O-CD 3.29Å; Q282-P286 WeakPolarHBondContact O-CD 3.43Å
283Q77.5Confident75.6Confident149 Ų149121.9 Ų121.970%0.69658%0.577SS**Hα-helixtrans-69.4-31.9176.9-167.9-172.883.900113L279 R280 L281 P286L279-Q283 PolarHBondContact O-N 3.26Å; R280-Q283 PolarHBondContact O-N 3.37Å; L281-Q283 VanDerWaalsContact C-N 3.28Å; L281-Q283 PolarHBondContact O-N 3.23Å; Q283-P286 VanDerWaalsContact O-CD 3.31Å; Q283-P286 WeakPolarHBondContact O-CD 3.37Å
284H71.9Confident74.4Confident97 Ų97124.8 Ų124.845%0.44959%0.59SS.*Hα-helixtrans-81.6-25.4-179.9-92.5-87.6000114.1R280 L281 P286 Q287 E288R280-H284 PolarHBondContact O-N 3.12Å; L281-H284 PolarHBondContact O-N 2.84Å; H284-P286 VanDerWaalsContact C-CD 3.47Å; H284-Q287 PolarHBondContact O-N 3.47Å; H284-E288 PolarHBondContact O-N 3.32Å
285R71Confident72.6Confident158 Ų158126.4 Ų126.460%0.59660%0.599SS**Hα-helixtrans-55.1-42.1-178.2-168.9-161.8-62.9-117.20114.5L281 Q287 E288 L289L281-R285 PolarHBondContact O-N 3.1Å; L281-R285 VanDerWaalsContact O-N 3.13Å; R285-Q287 VanDerWaalsContact C-N 3.34Å; R285-Q287 PolarHBondContact O-N 3.5Å; R285-E288 PolarHBondContact O-N 3.1Å; R285-L289 HydrophobicContact CG-CD1 3.92Å; R285-L289 WeakPolarHBondContact O-CG 3.29Å; R285-L289 PolarHBondContact O-N 3.5Å; R285-L289 VanDerWaalsContact O-N 3.14Å
286P67.5Low70.8Confident81 Ų81126.9 Ų126.953%0.52661%0.612SS.*Hα-helixtrans-67-32-179.9-19.332.4000113.3Q282 Q283 H284 A290Q282-P286 VanDerWaalsContact O-CD 3.29Å; Q282-P286 WeakPolarHBondContact O-CD 3.43Å; Q283-P286 VanDerWaalsContact O-CD 3.31Å; Q283-P286 WeakPolarHBondContact O-CD 3.37Å; H284-P286 VanDerWaalsContact C-CD 3.47Å; P286-A290 WeakPolarHBondContact O-CB 3.39Å; P286-A290 PolarHBondContact O-N 3.14Å
287Q69.3Low68.8Low140 Ų140128.1 Ų128.165%0.65463%0.63SS**Hα-helixtrans-70.4-38.7176.6-88.5178.25.500112H284 R285 A290 L291H284-Q287 PolarHBondContact O-N 3.47Å; R285-Q287 VanDerWaalsContact C-N 3.34Å; R285-Q287 PolarHBondContact O-N 3.5Å; Q287-A290 PolarHBondContact O-N 3.41Å; Q287-L291 PolarHBondContact O-N 3.37Å; Q287-L291 VanDerWaalsContact O-N 3.09Å
288E67.9Low66.9Low145 Ų145130.5 Ų130.568%0.67865%0.652SS**Hα-helixtrans-67.5-42.3177.7-166.2-172.1148.500111.7H284 R285 A290 L291 R292H284-E288 PolarHBondContact O-N 3.32Å; R285-E288 PolarHBondContact O-N 3.1Å; E288-A290 PolarHBondContact O-N 3.46Å; E288-L291 PolarHBondContact O-N 2.95Å; E288-R292 WeakPolarHBondContact O-CB 3.33Å; E288-R292 PolarHBondContact O-N 3.25Å
289L63.5Low64.8Low98 Ų98131.5 Ų131.551%0.51367%0.665SS.*Hα-helixtrans-65.2-37.5175.9-73.7164000112.2R285 L291 R292 N293R285-L289 HydrophobicContact CG-CD1 3.92Å; R285-L289 WeakPolarHBondContact O-CG 3.29Å; R285-L289 PolarHBondContact O-N 3.5Å; R285-L289 VanDerWaalsContact O-N 3.14Å; L289-L291 VanDerWaalsContact C-N 3.33Å; L289-L291 PolarHBondContact O-N 3.1Å; L289-R292 PolarHBondContact O-N 3.41Å; L289-N293 PolarHBondContact O-N 3.01Å; L289-N293 VanDerWaalsContact O-N 3.1Å
290A67.8Low62.6Low57 Ų57132.9 Ų132.947%0.47167%0.673SS.*Hα-helixtrans-66.7-33.2175.100000112.7P286 Q287 E288P286-A290 WeakPolarHBondContact O-CB 3.39Å; P286-A290 PolarHBondContact O-N 3.14Å; Q287-A290 PolarHBondContact O-N 3.41Å; E288-A290 PolarHBondContact O-N 3.46Å
291L67.2Low60.4Low126 Ų126132.5 Ų132.566%0.6668%0.679SS**Hα-helixtrans-75-35.2176.5-150.971.7000111.9Q287 E288 L289 Q294Q287-L291 PolarHBondContact O-N 3.37Å; Q287-L291 VanDerWaalsContact O-N 3.09Å; E288-L291 PolarHBondContact O-N 2.95Å; L289-L291 VanDerWaalsContact C-N 3.33Å; L289-L291 PolarHBondContact O-N 3.1Å; L291-Q294 PolarHBondContact O-N 3.4Å
292R57.4Low58.2Low195 Ų195133.9 Ų133.974%0.73669%0.686SS**Hα-helixtrans-72.5-29.6178.2-176.1171.7156138.1-2.1113.4E288 L289 Q294E288-R292 WeakPolarHBondContact O-CB 3.33Å; E288-R292 PolarHBondContact O-N 3.25Å; L289-R292 PolarHBondContact O-N 3.41Å; R292-Q294 PolarHBondContact O-N 3.32Å
293N59.5Low55.8Low147 Ų147131 Ų13179%0.78669%0.689SS**THydrogen-bonded Turntrans-75.7-2.4176.7-105.244.1000114.5L289L289-N293 PolarHBondContact O-N 3.01Å; L289-N293 VanDerWaalsContact O-N 3.1Å
294Q57.2Low53.7Low153 Ų153129.2 Ų129.272%0.71569%0.693SS**THydrogen-bonded Turntrans-972.6178.6-71.6-167.796.600114.4L291 R292L291-Q294 PolarHBondContact O-N 3.4Å; R292-Q294 PolarHBondContact O-N 3.32Å
295L50.3Low52Low133 Ų133130.9 Ų130.970%0.69671%0.71SS**SBendtrans-90.2122.1170.3-81107000110.6T297L295-T297 PolarHBondContact O-N 3.03Å; L295-T297 VanDerWaalsContact O-N 3.12Å
296P47.6Very low50.1Low125 Ų125130.9 Ų130.981%0.81272%0.722SS**  trans-65.7110.9171.5-12.826.4000109.7S298P296-S298 PolarHBondContact O-N 3.43Å
297T44.9Very low49.3Very low140 Ų140132.3 Ų132.386%0.85973%0.731SS**  trans-7695.4161.136.40000108.4L295 M299L295-T297 PolarHBondContact O-N 3.03Å; L295-T297 VanDerWaalsContact O-N 3.12Å; T297-M299 PolarHBondContact O-N 3.09Å
298S41.5Very low47.4Very low120 Ų120132.9 Ų132.984%0.83974%0.737SS**  trans-76.5107.5164.953.30000109P296P296-S298 PolarHBondContact O-N 3.43Å
299M43.7Very low45.7Very low166 Ų166131 Ų13182%0.81874%0.74SS**  trans-99.3125.2158.8-173.3178.9-65.300105.4T297T297-M299 PolarHBondContact O-N 3.09Å
300D40.3Very low44.3Very low140 Ų140131.6 Ų131.675%0.74975%0.753SS**  trans164.7152.3139.4-82.5-37.9000113.3
301Q37.5Very low43.3Very low171 Ų171134.7 Ų134.780%0.79977%0.768SS**  trans91.190.7151.7-125.684.373.400120.2
302D33.6Very low41.7Very low151 Ų151135.8 Ų135.881%0.80777%0.774SS**  22.9135.5119.3-156.616.7000120.8
303G33.9Very low40.7Very low59 Ų59131.4 Ų131.461%0.60878%0.779SS**  trans64.996.3130.300000120.7
304S34.4Very low39.7Very low112 Ų112132.2 Ų132.278%0.78378%0.778SS**  trans66.8134135.1-140.70000121.3
305T36.2Very low38.6Very low131 Ų131132.5 Ų132.580%0.80478%0.784SS**  trans79.5103.915968.40000120
306N31.7Very low37.8Very low159 Ų159130 Ų13085%0.8578%0.783SS**  trans-66.1160.7147-80.9-34.1000109.9
307P49Very low37.2Very low110 Ų110134.8 Ų134.871%0.71479%0.785SS**  cis-148.8171.738.138.5-16.3000119.3
308I29.2Very low36.8Very low152 Ų152135.1 Ų135.178%0.77979%0.787SS**  123.8132127.7-122.9150.3000118.8
309S32.1Very low36.4Very low106 Ų106136.6 Ų136.674%0.74178%0.782SS**  trans85.1113.1154-61.40000122.2
310S34.6Very low35.9Very low111 Ų111136.1 Ų136.178%0.77679%0.789SS**  trans-68.9169.4156.3-42.20000111.9
311P47.4Very low35.8Very low121 Ų121134.8 Ų134.879%0.78679%0.786SS**  -151.5153.982.737.3-17000117.6
312L33.8Very low35.6Very low150 Ų150133.6 Ų133.679%0.78578%0.784SS**  trans57.5117130.4-163.968.8000121.5Q314L312-Q314 HydrophobicContact CD1-CG 4.13Å
313A36.7Very low35.5Very low103 Ų103131 Ų13185%0.85178%0.778SS**  trans-155.7128.913100000110.6
314Q38.1Very low35.8Very low163 Ų163133.9 Ų133.976%0.76279%0.789SS**  trans-95.6153.8177.1-63.4176.3-55.800109.9L312L312-Q314 HydrophobicContact CD1-CG 4.13Å
315D32.9Very low35.9Very low159 Ų159134.3 Ų134.385%0.8578%0.783SS**  trans-168.9108.9134.7-94.2-36.1000108.4
316A34.9Very low36.8Very low80 Ų80133.7 Ų133.766%0.66178%0.781SS**  7788.38400000112.7
317R35Very low37.4Very low227 Ų227134.3 Ų134.386%0.85778%0.776SS**  74.7114.899.2-77.7-175.4-178.3168.12115.7
318T36.1Very low37.5Very low147 Ų147136.7 Ų136.790%0.90278%0.782SS**  -145.4126.9125.6-31.80000110.1
319M33Very low37.9Very low151 Ų151137 Ų13774%0.74479%0.785SS**  trans-100.4147.1178.4-64.3-162.1167.300110.7
320T34Very low38.2Very low155 Ų155137.4 Ų137.495%0.95179%0.788SS**  trans-147.3142.2141.2-10.20000111.1
321V38.1Very low38.2Very low113 Ų113135.1 Ų135.169%0.68578%0.783SS**  trans-98.4151.3-156.71450000113
322N33.4Very low37.7Very low145 Ų145135.4 Ų135.478%0.77578%0.782SS**  trans134131.9149.9-80.3-34.2000109.6
323S30.9Very low37.9Very low97 Ų97137.9 Ų137.968%0.67878%0.783SS**  cis-175.6134.215.630.40000108.5
324S40.7Very low38.1Very low119 Ų119142.2 Ų142.283%0.83279%0.785SS**  trans49.7100.815254.90000121.4
325D37Very low38.2Very low122 Ų122139.2 Ų139.265%0.65278%0.781SS**  trans-156.2120.3142.4-168-15.5000109.6F327D325-F327 VanDerWaalsContact C-N 3.31Å; D325-F327 PolarHBondContact O-N 3.44Å
326P54.7Low38.3Very low118 Ų118141.7 Ų141.777%0.76678%0.779SS**THydrogen-bonded Turntrans-81.314-167.833.3-37.7000116.2
327F44.2Very low38.4Very low171 Ų171143.1 Ų143.175%0.7578%0.776SS**THydrogen-bonded Turntrans-104.81.8-171.6-75.7-74.9000117.6D325D325-F327 VanDerWaalsContact C-N 3.31Å; D325-F327 PolarHBondContact O-N 3.44Å
328L51.2Low39Very low161 Ų161140.7 Ų140.784%0.84377%0.774SS**SBendtrans-133.329.6-169-62.3174000116.8
329N37.1Very low39.3Very low157 Ų157139 Ų13984%0.8477%0.768SS**  trans-141.1100.6171.9-159.762.8000115.5
330S37.8Very low40Very low115 Ų115137.8 Ų137.880%0.80477%0.769SS**  trans146.6118.5148.653.90000107.3
331G35.5Very low40.3Very low64 Ų64137.1 Ų137.166%0.6676%0.76SS**  cis94.512437.800000108.5
332T35.6Very low41.2Very low126 Ų126137.5 Ų137.577%0.77377%0.768SS**  trans91.7106.9149.4-48.90000117.6
333Y38.5Very low41.8Very low203 Ų203133.4 Ų133.480%0.79676%0.76SS**  trans43.7114.6143.9-70.9-101.8000120.4
334H41.2Very low42.7Very low194 Ų194137 Ų13790%0.89877%0.771SS**  trans-141.9103.5137.8-78.6-76.1000109.8
335S40.9Very low42.6Very low99 Ų99136.8 Ų136.869%0.69277%0.769SS**  trans-73.5158.3149.9-62.50000108.8
336R35.1Very low43Very low211 Ų211138.7 Ų138.780%0.79678%0.776SS**  trans80.2140.1169.4-75.1173.971.31402.4115.3
337D36.6Very low42.1Very low111 Ų111138.2 Ų138.259%0.59478%0.776SS**  cis-150154.521.2-97.9-44000111.1
338E47Very low41.6Very low175 Ų175135.7 Ų135.782%0.81878%0.779SS**  trans-36.7130.4152.6175.4178.191.100112.3
339S42.1Very low40.9Very low111 Ų111138.5 Ų138.578%0.77678%0.78SS**  trans-145.993.1155.63.40000108.9D341S339-D341 PolarHBondContact O-N 3.05Å
340T48.1Very low40.9Very low127 Ų127136.6 Ų136.678%0.77978%0.779SS**  trans-59.8105.1143.5510000108
341D41.2Very low41.3Very low140 Ų140137 Ų13775%0.74978%0.776SS**  trans-179.4107.7149.1-17332.4000109.6S339S339-D341 PolarHBondContact O-N 3.05Å
342S57.6Low41.6Very low121 Ų121139.6 Ų139.685%0.84678%0.782SS**  trans-165.478.1140.2-80.60000106
343G45.7Very low41.9Very low60 Ų60145.3 Ų145.362%0.61979%0.789SS**  trans-69.4131.1158.400000109.1
344L48.1Very low42.1Very low173 Ų173140.1 Ų140.191%0.90678%0.779SS**  trans-146.5103.9146-78-173.4000109.9
345S39.5Very low42.3Very low113 Ų113136.6 Ų136.679%0.7977%0.773SS**  trans54.9111.1139.8-148.10000120.5
346M45.2Very low42.5Very low162 Ų162138.1 Ų138.180%0.79877%0.773SS**  trans-54.8139.6145-59.2-178.267.600111.1
347S35.6Very low43.2Very low109 Ų109134.7 Ų134.776%0.76277%0.771SS**  trans161.2112.4135.4-77.10000110.5
348S33.8Very low43.9Very low118 Ų118138.8 Ų138.883%0.82578%0.784SS**  trans-177.587.9138.5-75.90000108.2
349Y36.2Very low43.9Very low220 Ų220138.5 Ų138.586%0.86379%0.787SS**  trans-56.2132.8159.7-79.3-98.3000108.9
350S38Very low43.9Very low117 Ų117140.4 Ų140.482%0.81879%0.788SS**  trans-132.1102.7159.8-69.50000107.8
351V44.8Very low43.8Very low123 Ų123139.8 Ų139.875%0.74579%0.789SS**  trans-44.8138.2175.3171.60000112.2R353V351-R353 PolarHBondContact O-N 3.26Å
352P42.3Very low44.3Very low119 Ų119139.6 Ų139.677%0.77379%0.793SS**  trans-70.9116.1165.428.8-29.2000108.7T354P352-T354 PolarHBondContact O-N 3.49Å
353R41.5Very low43.9Very low245 Ų245142 Ų14293%0.92580%0.796SS**  trans-73.9107.1176-138.7174-171.3129.3-1.9108.3V351V351-R353 PolarHBondContact O-N 3.26Å
354T44.3Very low44.4Very low94 Ų94148 Ų14858%0.57781%0.808SS**  trans-67136.4160.348.60000108.4P352 D356P352-T354 PolarHBondContact O-N 3.49Å; T354-D356 VanDerWaalsContact C-N 3.29Å; T354-D356 WeakPolarHBondContact CB-OD2 3.31Å; T354-D356 PolarHBondContact O-N 3.32Å; T354-D356 PolarHBondContact OG1-OD2 3.09Å
355P45.2Very low44.6Very low120 Ų120148.1 Ų148.178%0.77981%0.806SS**  trans-84.779.1165.831.9-27.4000108.6D357P355-D357 PolarHBondContact O-N 3.2Å; P355-D357 VanDerWaalsContact O-N 3.09Å
356D45.6Very low44.7Very low132 Ų132149.8 Ų149.871%0.70681%0.806SS**  trans-79.354169.8-76.6-71.1000111.5T354T354-D356 VanDerWaalsContact C-N 3.29Å; T354-D356 WeakPolarHBondContact CB-OD2 3.31Å; T354-D356 PolarHBondContact O-N 3.32Å; T354-D356 PolarHBondContact OG1-OD2 3.09Å
357D48.9Very low44.7Very low139 Ų139149.3 Ų149.374%0.74381%0.813SS**  trans-131.921.3-176.8-120.2-25000114.2P355P355-D357 PolarHBondContact O-N 3.2Å; P355-D357 VanDerWaalsContact O-N 3.09Å
358F51.5Low44.8Very low197 Ų197146.9 Ų146.986%0.86481%0.805SS**SBendtrans-114.35.5174.6-88.3-80.9000115.1
359L45.8Very low45Very low168 Ų168148.9 Ų148.988%0.8881%0.806SS**SBendtrans-129.528.3-175.9-65.3178.5000114.5
360N42.9Very low45Very low151 Ų151143.7 Ų143.781%0.80780%0.802SS**SBendtrans-118.926.9177.5-111.8-26.1000114.1
361S46.7Very low45Very low115 Ų115145.7 Ų145.780%0.80480%0.803SS**SBendtrans-144.569.4173.5-158.50000110.6
362V51.3Low45.4Very low136 Ų136145.4 Ų145.482%0.82480%0.804SS**SBendtrans-164.6-5.9158.8121.70000115.6E364V362-E364 PolarHBondContact O-N 3.19Å
363D48.8Very low45.1Very low170 Ų170144.4 Ų144.491%0.90981%0.806SS**SBendtrans-98.342.1-177.5-107-77.7000114.4
364E57.2Low44.7Very low187 Ų187137.4 Ų137.487%0.87479%0.794SS**  trans-140.372.5167-161.5174.218000110.1V362V362-E364 PolarHBondContact O-N 3.19Å
365M50.8Low44.2Very low176 Ų176141 Ų14187%0.86781%0.806SS**  trans-14286.2155.7-152.1170.6-72.800109.7
366D42.6Very low43.4Very low148 Ų148140.1 Ų140.179%0.79181%0.809SS**  trans22113.8141.3-16226.1000117.9G368D366-G368 PolarHBondContact O-N 3.41Å
367T45.2Very low42.8Very low151 Ų151139.1 Ų139.193%0.92681%0.813SS**  trans-85.490.8168-38.60000108.2
368G36.6Very low42.1Very low59 Ų59141.3 Ų141.361%0.60882%0.819SS**  trans-135.6105.4-178.300000112.9D366D366-G368 PolarHBondContact O-N 3.41Å
369D39.2Very low41.6Very low159 Ų159136.9 Ų136.985%0.8581%0.809SS**  trans-54.8136.1173.5179.433.9000114.3
370S35.7Very low41Very low111 Ų111134.6 Ų134.678%0.77681%0.808SS**  trans172.5117.5139.740.90000113.8
371L38.7Very low40.5Very low159 Ų159138.6 Ų138.683%0.83281%0.811SS**  trans-77.5174.3153.8-63.3176000109.5
372P53Low39.9Very low117 Ų117143 Ų14376%0.7682%0.817SS**  cis-148-178.816.140.5-18.4000118.8
373A35.1Very low39.7Very low99 Ų99140.8 Ų140.882%0.81881%0.805SS**  trans76.7141.4152.500000117.7
374S34.6Very low39.6Very low97 Ų97139.6 Ų139.668%0.67880%0.799SS**  cis-167.3159.113.4-169.80000110
375M32.2Very low39.2Very low169 Ų169140.6 Ų140.683%0.83380%0.796SS**  trans72.9122.4141.964.9-147.1-126.400126
376A29.7Very low39.2Very low102 Ų102139.8 Ų139.884%0.84379%0.794SS**  trans74.1137.9144.300000118
377S32.7Very low39.5Very low111 Ų111140.1 Ų140.178%0.77680%0.796SS**  cis-165137.819.549.60000111.3
378Q34.4Very low39.6Very low186 Ų186136.1 Ų136.187%0.86979%0.785SS**  trans26.1143.9155.9-65.1-66.3-46.200123.6
379P40.3Very low40Very low103 Ų103139.5 Ų139.567%0.66979%0.787SS**  trans-96.4147.9-175.538.6-30.4000113
380S34.3Very low40.1Very low121 Ų121138 Ų13885%0.84679%0.787SS**  trans-153.5115.6158.8-83.50000112
381R32Very low40.8Very low234 Ų234136.4 Ų136.488%0.88379%0.787SS**  trans77.593.4136.9-162.7158.9-74.6-170.2-4.9117.6
382F34.6Very low41Very low208 Ų208135 Ų13591%0.91279%0.785SS**PPolyproline II helixtrans-99.7150.2142.2-86.2-84.7000109.7
383P46.6Very low40.4Very low90 Ų90136.4 Ų136.458%0.58479%0.787SS**PPolyproline II helixtrans-91.2144.3-168.519.7-3.6000113.2Y385P383-Y385 HydrophobicContact CG-CE2 4.21Å; P383-Y385 PolarHBondContact O-N 3.41Å
384D45.6Very low41Very low145 Ų145138.4 Ų138.478%0.77579%0.788SS**PPolyproline II helixtrans-50.9118.7165.2-81-50.2000111.8
385Y50.4Low41.2Very low208 Ų208140.5 Ų140.582%0.81679%0.792SS**  trans-117.89.7165.5-88.6-79.9000112.6P383P383-Y385 HydrophobicContact CG-CE2 4.21Å; P383-Y385 PolarHBondContact O-N 3.41Å
386L49.8Very low41.9Very low159 Ų159140.8 Ų140.883%0.83280%0.796SS**SBendtrans-99.5-2.3176.5-69.6-179.8000114.3G388L386-G388 VanDerWaalsContact C-N 3.28Å; L386-G388 PolarHBondContact O-N 3.13Å
387D48.8Very low42.3Very low154 Ų154138.8 Ų138.882%0.82479%0.785SS**THydrogen-bonded Turntrans-90.314179.4-152.934000113.5
388G47.3Very low42.6Very low67 Ų67140 Ų14069%0.69179%0.788SS**THydrogen-bonded Turntrans-104.58.9-173.900000115.8L386L386-G388 VanDerWaalsContact C-N 3.28Å; L386-G388 PolarHBondContact O-N 3.13Å
389I44.1Very low42.9Very low130 Ų130138.5 Ų138.567%0.66779%0.785SS**  trans-111.5111178.9-46.5-178.1000109.1G391I389-G391 PolarHBondContact O-N 3.25Å
390P42.1Very low42.8Very low129 Ų129142 Ų14284%0.83879%0.793SS**THydrogen-bonded Turntrans-68.9117.5175.226.9-31.9000110.3
391G49.8Very low43Very low76 Ų76139.8 Ų139.878%0.78479%0.789SS**THydrogen-bonded Turntrans130.97.7154.600000119.5I389I389-G391 PolarHBondContact O-N 3.25Å
392T43Very low43.1Very low130 Ų130137.8 Ų137.880%0.79879%0.79SS**  trans-121.875.7176.460.40000111.4
393D40.5Very low43.3Very low147 Ų147132.5 Ų132.579%0.78678%0.779SS**  trans-102.8106.2170.5-151-41.3000107.7
394V49.1Very low42.9Very low141 Ų141137.4 Ų137.486%0.85580%0.796SS**  trans-139.789162.7-159.40000108.1
395D38.2Very low42.6Very low140 Ų140135 Ų13575%0.74980%0.796SS**  trans-53.2122.7170.3-17524.6000112G397D395-G397 PolarHBondContact O-N 3.37Å
396L47Very low42.1Very low175 Ų175131.1 Ų131.192%0.91679%0.794SS**  trans-9574.9174.2-150.789.3000108.7
397G37.9Very low41.5Very low60 Ų60132.4 Ų132.462%0.61980%0.796SS**  trans-92.1118177.900000113.1D395D395-G397 PolarHBondContact O-N 3.37Å
398T39.8Very low41Very low138 Ų138130.4 Ų130.485%0.84779%0.794SS**  trans-57.8130.6163.640.10000113.1
399L39.2Very low40.8Very low153 Ų153136.3 Ų136.380%0.80180%0.804SS**  trans-159.4110.1153.7-138.8125.5000113.8
400E39.7Very low40.8Very low177 Ų177138.9 Ų138.983%0.82781%0.813SS**  30.9128.3126.3-46.7-179.5155.600121.2
401G37.3Very low40.8Very low75 Ų75140.2 Ų140.277%0.77381%0.812SS**  90.3120.1120.700000120.8
402E34.4Very low40Very low191 Ų191145.7 Ų145.789%0.89382%0.819SS**  trans91.9135.8148.1-136.181.1129.800121
403S39.6Very low39.7Very low97 Ų97144.3 Ų144.368%0.67882%0.821SS**  trans-62.7143.7-172.356.30000117.6
404M37.4Very low39.8Very low193 Ų193142.1 Ų142.195%0.95182%0.817SS**  trans-140.1114.6134.3-77.5-164.8-178.400110.2
405A39.9Very low39.4Very low94 Ų94142.3 Ų142.378%0.77781%0.813SS**  trans-75.6135.8166.500000109.9
406V39.8Very low39.7Very low127 Ų127144.4 Ų144.477%0.7782%0.818SS**  trans-154113.7146.3-85.30000109.8
407E35.6Very low39.6Very low186 Ų186143.5 Ų143.587%0.86981%0.809SS**  trans71.884.3142.3-58.3179.9160.500118.4
408S38.5Very low40Very low113 Ų113146.2 Ų146.279%0.7982%0.816SS**  trans-105.791.1160.4-610000109.6
409E43.2Very low40.2Very low191 Ų191147.5 Ų147.589%0.89382%0.817SS**  trans-173.1139.8151.832.2-147.1139.400113.1
410E44.8Very low40.5Very low183 Ų183143.2 Ų143.286%0.85580%0.8SS**  trans8495.1169.9-141.6166.2-157.600115.1
411L40.9Very low41.1Very low157 Ų157139.2 Ų139.282%0.82279%0.791SS**  -158.7114.964.7-76.5164.4000111.2
412M33.4Very low41.9Very low191 Ų191141.1 Ų141.194%0.94178%0.784SS**  trans-69.3123.9155.9-69.6-164.2-63.200109
413A36.9Very low43Very low101 Ų101137.1 Ų137.184%0.83577%0.767SS**  trans-106.2107.3155.500000108L415A413-L415 PolarHBondContact O-N 3.39Å
414S42.4Very low43.8Very low101 Ų101138.5 Ų138.571%0.70677%0.767SS**  trans-46.4125.6167.4178.70000112
415L40.9Very low44.9Very low146 Ų146132.8 Ų132.876%0.76475%0.745SS**  trans-144.273.7149.9-101.1165.9000107.9A413 E417A413-L415 PolarHBondContact O-N 3.39Å; L415-E417 VanDerWaalsContact C-N 3.28Å; L415-E417 HydrophobicContact CD2-CG 4.01Å; L415-E417 PolarHBondContact O-N 2.96Å
416Q44.3Very low45.8Very low184 Ų184133.8 Ų133.886%0.8674%0.738SS**  trans-79.981.5161.7-164.3166.73.400106.7
417E45.4Very low46.7Very low155 Ų155133.7 Ų133.772%0.72473%0.73SS**  trans-99.8123.8164.4-85.4-169.1157.700109L415 L419L415-E417 VanDerWaalsContact C-N 3.28Å; L415-E417 HydrophobicContact CD2-CG 4.01Å; L415-E417 PolarHBondContact O-N 2.96Å; E417-L419 PolarHBondContact O-N 3.07Å
418P46.8Very low47.8Very low118 Ų118131.7 Ų131.777%0.76672%0.721SS**  trans-69.9117.6179.428.1-31.3000109.1S420P418-S420 PolarHBondContact O-N 3.37Å; P418-S420 VanDerWaalsContact O-N 3.08Å
419L44.5Very low48.7Very low164 Ų164130.1 Ų130.186%0.85971%0.71SS**  trans-57.7114.4162.1-62.4175.5000107.3E417 S421E417-L419 PolarHBondContact O-N 3.07Å; L419-S421 PolarHBondContact O-N 3.48Å
420S44.7Very low49.5Very low64 Ų64126.1 Ų126.145%0.44870%0.698SS.*  trans-50.2119.6-176.8-35.50000110.4P418 D422 I423P418-S420 PolarHBondContact O-N 3.37Å; P418-S420 VanDerWaalsContact O-N 3.08Å; S420-D422 PolarHBondContact O-N 3Å; S420-I423 PolarHBondContact O-N 3.47Å
421S52Low50Low92 Ų92123 Ų12364%0.64369%0.687SS**Hα-helixtrans-53.8-15.7174.343.70000113.9L419 S425L419-S421 PolarHBondContact O-N 3.48Å; S421-S425 PolarHBondContact O-N 3.43Å
422D54.3Low50.5Low115 Ų115118.7 Ų118.762%0.61567%0.674SS**Hα-helixtrans-69-34.7176.1-59.8-49.8000113.1S420 S425 D426S420-D422 PolarHBondContact O-N 3Å; D422-S425 PolarHBondContact O-N 3.37Å; D422-D426 PolarHBondContact O-N 2.97Å; D422-D426 VanDerWaalsContact O-N 3.08Å
423I57.7Low51.3Low107 Ų107112.9 Ų112.955%0.54966%0.656SS.*Hα-helixtrans-71.9-35-176.8-63.6168000110.9S420 M427S420-I423 PolarHBondContact O-N 3.47Å; I423-M427 WeakPolarHBondContact O-CG 3.49Å; I423-M427 PolarHBondContact O-N 3.29Å
424L56.3Low51.8Low127 Ų127113.3 Ų113.367%0.66565%0.649SS**Hα-helixtrans-74.5-34.9176.9-66.9174.4000111.8M427 E428L424-M427 PolarHBondContact O-N 3.29Å; L424-E428 PolarHBondContact O-N 2.88Å; L424-E428 VanDerWaalsContact O-N 3.14Å
425S61.2Low52.2Low72 Ų72117.6 Ų117.650%0.50366%0.655SS.*Hα-helixtrans-65.8-39.7175-173.50000112.2S421 D422 E428 S429S421-S425 PolarHBondContact O-N 3.43Å; D422-S425 PolarHBondContact O-N 3.37Å; S425-E428 PolarHBondContact O-N 3.43Å; S425-S429 PolarHBondContact O-N 2.94Å; S425-S429 VanDerWaalsContact O-N 3.07Å
426D57.8Low52.8Low116 Ų116117.6 Ų117.662%0.6265%0.654SS**Hα-helixtrans-69.1-36.2178.4-90-1.6000112.5D422 S429 V430D422-D426 PolarHBondContact O-N 2.97Å; D422-D426 VanDerWaalsContact O-N 3.08Å; D426-S429 PolarHBondContact O-N 3.38Å; D426-V430 WeakPolarHBondContact O-CG2 3.29Å; D426-V430 PolarHBondContact O-N 3.14Å
427M59.7Low52.6Low124 Ų124115.5 Ų115.561%0.61165%0.648SS**Hα-helixtrans-69.2-35.5174.4-68.4-159.98800112.4I423 L424 V430 L431I423-M427 WeakPolarHBondContact O-CG 3.49Å; I423-M427 PolarHBondContact O-N 3.29Å; L424-M427 PolarHBondContact O-N 3.29Å; M427-V430 PolarHBondContact O-N 3.41Å; M427-L431 WeakPolarHBondContact O-CG 3.47Å; M427-L431 PolarHBondContact O-N 3.44Å; M427-L431 VanDerWaalsContact O-N 3.14Å
428E58.3Low52.8Low145 Ų145117.4 Ų117.468%0.67865%0.654SS**Hα-helixtrans-68.5-36.6176.1-168.7170.8-17000111.9L424 S425 L431 A432L424-E428 PolarHBondContact O-N 2.88Å; L424-E428 VanDerWaalsContact O-N 3.14Å; S425-E428 PolarHBondContact O-N 3.43Å; E428-L431 PolarHBondContact O-N 3.06Å; E428-A432 VanDerWaalsContact O-CB 3.28Å; E428-A432 WeakPolarHBondContact O-CB 3.41Å; E428-A432 PolarHBondContact O-N 3.37Å
429S57.7Low52.8Low79 Ų79119.4 Ų119.455%0.55265%0.654SS**Hα-helixtrans-68.7-33.3176.5-167.20000113.3S425 D426 A433S425-S429 PolarHBondContact O-N 2.94Å; S425-S429 VanDerWaalsContact O-N 3.07Å; D426-S429 PolarHBondContact O-N 3.38Å; S429-A433 PolarHBondContact O-N 2.99Å
430V59.2Low52.7Low107 Ų107119 Ų11965%0.64865%0.652SS**Hα-helixtrans-71.8-36.8174.8172.80000111.3D426 M427D426-V430 WeakPolarHBondContact O-CG2 3.29Å; D426-V430 PolarHBondContact O-N 3.14Å; M427-V430 PolarHBondContact O-N 3.41Å
431L56.1Low52.9Low119 Ų119125.1 Ų125.162%0.62367%0.671SS**Hα-helixtrans-75.5-35.6178-70168.3000112.2M427 E428 A433 T434M427-L431 WeakPolarHBondContact O-CG 3.47Å; M427-L431 PolarHBondContact O-N 3.44Å; M427-L431 VanDerWaalsContact O-N 3.14Å; E428-L431 PolarHBondContact O-N 3.06Å; L431-A433 VanDerWaalsContact C-N 3.3Å; L431-A433 PolarHBondContact O-N 3.4Å; L431-T434 PolarHBondContact O-N 3.03Å; L431-T434 PolarHBondContact O-OG1 3.07Å
432A50.5Low52.4Low66 Ų66127.8 Ų127.855%0.54568%0.677SS.*Hα-helixtrans-66.8-29176.300000113.2E428 T434 K435E428-A432 VanDerWaalsContact O-CB 3.28Å; E428-A432 WeakPolarHBondContact O-CB 3.41Å; E428-A432 PolarHBondContact O-N 3.37Å; A432-T434 PolarHBondContact O-N 3.06Å; A432-K435 PolarHBondContact O-N 3.46Å
433A50.2Low51.6Low68 Ų68128 Ų12856%0.56268%0.683SS**THydrogen-bonded Turntrans-69-10.4176.700000114.1S429 L431S429-A433 PolarHBondContact O-N 2.99Å; L431-A433 VanDerWaalsContact C-N 3.3Å; L431-A433 PolarHBondContact O-N 3.4Å
434T47.8Very low51Low111 Ų111135.4 Ų135.468%0.68170%0.704SS**THydrogen-bonded Turntrans-93.90.9178.260.90000114.5L431 A432 I436L431-T434 PolarHBondContact O-N 3.03Å; L431-T434 PolarHBondContact O-OG1 3.07Å; A432-T434 PolarHBondContact O-N 3.06Å; T434-I436 PolarHBondContact O-N 3.23Å; T434-I436 VanDerWaalsContact O-N 3.07Å
435K51.8Low50.2Low191 Ų191141 Ų14183%0.8373%0.734SS**  trans-82.768.9163.7-90.4178.7177.6-83.40110A432A432-K435 PolarHBondContact O-N 3.46Å
436I51.7Low49.6Very low146 Ų146144.5 Ų144.575%0.74975%0.745SS**  trans-111.499160-73164.6000106.6T434T434-I436 PolarHBondContact O-N 3.23Å; T434-I436 VanDerWaalsContact O-N 3.07Å
437D41.3Very low49.2Very low139 Ų139146 Ų14674%0.74375%0.752SS**  trans26.1110.7153.5-64.7-28.4000118.3
438K48.8Very low48.6Very low195 Ų195147.2 Ų147.285%0.84876%0.76SS**SBendtrans-45.7144.6138.7-70.1172.2173.7-1800107.9
439E47.7Very low48.1Very low161 Ų161147.4 Ų147.475%0.75277%0.765SS**  trans100.357.5-173.3-49-46.7126.200114.8
440N42.4Very low47.4Very low156 Ų156151.6 Ų151.683%0.83478%0.778SS**  trans-144.956.7154.2-134.857000111.6
441F48.4Very low46.7Very low192 Ų192154.6 Ų154.684%0.84279%0.786SS**  trans-81.1107.7159.4-76.4-85.4000108.6
442L41.2Very low46Very low148 Ų148157.1 Ų157.178%0.77580%0.798SS**  trans-160.999.5155.8-93.1122.8000109.4
443T38.5Very low45.6Very low119 Ų119164.2 Ų164.273%0.7382%0.817SS**  65.1106111.249.90000115.3
444W43.6Very low45.3Very low262 Ų262172.2 Ų172.299%0.99284%0.839SS**  trans-73.6126.3164-70.959.5000109.2
445L39.9Very low45Very low246 Ų246177.7 Ų177.7100%1.28885%0.853SS**  trans-138.30160.3-118.1151.1000108

Retrieved 445 of 445 residues in 151.9 ms (Link to these results)