X2JI50_DROME Loading...

WH2 domain-containing protein

AlphaFold DB , UniProt , Accession X2JI50, Species DROME (Drosophila melanogaster, Fruit fly), Gene EG:BACH48C10.5, Length 1,239 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M46.4Very low43.6Very low236 Ų236141.3 Ų141.3100%1.16382%0.82SS**  0132.60-62.6164.774.800108.3
2S41.1Very low43.2Very low109 Ų109139.6 Ų139.676%0.76281%0.806SS**  -165.9141.3-56.5-86.20000108.5
3S41.8Very low43.1Very low101 Ų101144.8 Ų144.871%0.70680%0.804SS**  trans35.8110.7153.757.30000121.1
4M56.5Low42.9Very low186 Ų186148.6 Ų148.692%0.91680%0.8SS**  trans168.899.4135-92.9153.76700107.2
5K47.7Very low43Very low174 Ų174147.8 Ų147.876%0.75779%0.787SS**  cis64.784.131.8-155.8-179.1179.7-175.60110.8
6G42Very low42.8Very low78 Ų78140.6 Ų140.680%0.80476%0.759SS**  trans-92.1-170.6-173.500000115.1
7S46.4Very low42.9Very low127 Ų127140.3 Ų140.389%0.88874%0.744SS**  trans-155.2140.7-179.946.70000110.8
8F37.5Very low43Very low198 Ų198143.4 Ų143.487%0.86875%0.751SS**  trans-117110.1173.4179.7-78.6000108.7
9A45Very low42.9Very low82 Ų82147.4 Ų147.468%0.67876%0.761SS**  trans-163.4127.3165.200000106
10T37.2Very low43Very low117 Ų117143.3 Ų143.372%0.71876%0.756SS**  cis66.363.847.2-45.10000112.9
11L38.5Very low42.9Very low146 Ų146145.3 Ų145.376%0.76476%0.759SS**  trans-126.7119.2147.5-99.5100.5000106.3
12N38.1Very low42.3Very low121 Ų121143.5 Ų143.565%0.64774%0.739SS**  73.2110.291-80.5-28.8000111
13R41.7Very low42.4Very low207 Ų207143.2 Ų143.278%0.78174%0.735SS**  93.215475.9174.9178.7170.4165.2-2109.2
14W40.6Very low42.3Very low199 Ų199146.3 Ų146.375%0.75474%0.735SS**  trans80.4110.2162.9-103.138.9000120.4
15F45.1Very low41.5Very low136 Ų136144.6 Ų144.660%0.59673%0.73SS**  trans72.3155145.4-70.1-113.5000118.4Q455F15-Q455 VanDerWaalsContact N-OE1 3.12Å
16G38.5Very low41.4Very low33 Ų33145.1 Ų145.134%0.3473%0.732SS.*  cis-172.7121.1200000119.2Q456G16-Q456 VanDerWaalsContact C-NE2 3.34Å; G16-Q456 PolarHBondContact O-NE2 3.42Å
17R45.5Very low41.2Very low135 Ų135146.7 Ų146.751%0.50973%0.731SS.*  trans19120.1154.3-58.1-173.5-165.1-176.82121.6
18K43.5Very low40.9Very low197 Ų197144 Ų14486%0.85772%0.724SS**  -165.2176121.7-115.6171.3-178.7176.40115.9
19K42.1Very low41.2Very low218 Ų218141.9 Ų141.995%0.94873%0.727SS**  trans-154.1146.5-164.2-164.9-171.1-169.7-1760112.4
20G44.1Very low41Very low65 Ų65140.8 Ų140.867%0.6772%0.724SS**  trans145.5162.4160.600000115.1
21K41.9Very low41.1Very low187 Ų187143 Ų14381%0.81373%0.731SS**  cis-170.2117.3-20.8-118.8-138.4177.6178.80110.8
22W33.1Very low41.3Very low198 Ų198141.5 Ų141.575%0.7573%0.733SS**  trans68163.4149.8-70.269.3000119.2K24W22-K24 HydrophobicContact CZ3-CD 4.39Å
23P43.3Very low41.6Very low102 Ų102141.1 Ų141.166%0.66274%0.74SS**  cis-146.7166.2-31.938-19.4000119.6
24K40.3Very low41.4Very low166 Ų166140 Ų14072%0.72275%0.746SS**  trans38.4133.2138.9-66.1179.8172.9-179.10122W22W22-K24 HydrophobicContact CZ3-CD 4.39Å
25N40Very low41.4Very low150 Ų150134.3 Ų134.380%0.80275%0.749SS**  -159.1153.5106.2-102.8-37.6000115
26K44.7Very low41Very low186 Ų186137.4 Ų137.481%0.80976%0.762SS**  trans0.9151.2160.7-67.2177.7-179.8-1800121.4
27S38.2Very low41.2Very low111 Ų111143.6 Ų143.678%0.77679%0.786SS**  cis-176138.8-9.547.70000114.3
28G40.5Very low41Very low71 Ų71141.8 Ų141.873%0.73279%0.794SS**  trans84.5161.4151.800000118.5
29T43Very low40.9Very low152 Ų152143 Ų14393%0.93380%0.8SS**  cis-160143.5-17.5-680000109.3
30G41.4Very low40.7Very low60 Ų60137.4 Ų137.462%0.61979%0.788SS**  trans98.9114.2177.100000112.3
31N40Very low40.5Very low164 Ų164138.5 Ų138.588%0.87779%0.785SS**  63.6131.553.3-60.911.2000112.7
32S42.7Very low40.3Very low114 Ų114135.7 Ų135.780%0.79778%0.784SS**  cis-169.8159.8-9.745.90000107.9
33S42.8Very low40.6Very low113 Ų113133.4 Ų133.479%0.7978%0.782SS**  cis-146.8163.31468.50000111.5
34M37.4Very low40.5Very low184 Ų184136.9 Ų136.991%0.90679%0.794SS**  trans-141.298.8176.4-99.2-85.7-87.300110
35G40.5Very low40.4Very low79 Ų79135.3 Ų135.381%0.81479%0.789SS**  trans-81.7132.5179.100000112.6
36K38.1Very low40.4Very low200 Ų200136.4 Ų136.487%0.8779%0.789SS**  trans-98.7118.4178.2-62174-175.5170.60111.3
37L42.4Very low40.2Very low164 Ų164136 Ų13686%0.85980%0.795SS**  trans-138113155.4-71.5178.2000106.9
38S40.2Very low40.3Very low97 Ų97134.8 Ų134.868%0.67879%0.786SS**  100.798.273.8-75.30000110.6S40S38-S40 PolarHBondContact O-N 3.19Å
39K41.8Very low40.5Very low222 Ų222137.3 Ų137.397%0.96579%0.787SS**  trans-74.587.4177.8-69.9178.9177.3177.10111.1
40S37.7Very low40Very low101 Ų101137.7 Ų137.771%0.70678%0.783SS**  trans-160.6143.8165.462.80000114.6S38S38-S40 PolarHBondContact O-N 3.19Å
41S39.7Very low40.1Very low87 Ų87139.3 Ų139.361%0.60878%0.782SS**  trans72.9143157.9-153.80000118Q43S41-Q43 PolarHBondContact O-N 3Å
42T38.7Very low40.3Very low129 Ų129137.5 Ų137.579%0.79177%0.772SS**  trans-72.6101.4178.547.60000111.9
43Q39.5Very low40.4Very low149 Ų149139.9 Ų139.970%0.69677%0.774SS**  trans-149.5127.6160.1-98.5177.3-5400109.1S41S41-Q43 PolarHBondContact O-N 3Å
44L40Very low40.6Very low175 Ų175140.8 Ų140.892%0.91677%0.77SS**  trans-113.681178-77.6169.7000109
45H39.4Very low41.2Very low134 Ų134136 Ų13662%0.6275%0.745SS**  trans-138.526.9-172.5-69.7-73.5000114.7
46H39.2Very low41.5Very low173 Ų173134.3 Ų134.380%0.80172%0.719SS**  trans-13439.2-176.2-53.8-58.4000113.9
47L40.3Very low42.2Very low178 Ų178128 Ų12893%0.93270%0.7SS**  trans-125.715.9166.9-72.8177.4000112.5
48S41Very low42.6Very low84 Ų84122.5 Ų122.559%0.58767%0.67SS**  trans-85.3109.8162.1-57.90000107.6
49T44.6Very low43.5Very low125 Ų125119.7 Ų119.777%0.76765%0.648SS**  trans-63.4129.8153.3-56.30000106.7T51T49-T51 PolarHBondContact O-N 3.03Å
50D33.4Very low44.1Very low159 Ų159115 Ų11585%0.8563%0.629SS**  trans-65107.7176.4-82.8-59.4000109.9
51T43.7Very low45.1Very low95 Ų95120.4 Ų120.458%0.58364%0.635SS**  trans-151104.7169.3-49.80000106.6T49T49-T51 PolarHBondContact O-N 3.03Å
52D42.6Very low46.7Very low125 Ų125117.7 Ų117.767%0.66861%0.614SS**  trans31.1111.1176.6-61.3-51.2000118.6N54 E55D52-N54 PolarHBondContact O-N 3.19Å; D52-E55 PolarHBondContact O-N 2.91Å
53I45.4Very low48.6Very low165 Ų165116.9 Ų116.985%0.84660%0.597SS**THydrogen-bonded Turntrans-57-2.3177.856.6172.8000115.8
54N47.7Very low50.2Low131 Ų131110.5 Ų110.570%0.70157%0.567SS**THydrogen-bonded Turntrans-86.5-41.1173.7-169.123.2000112.5D52 T56D52-N54 PolarHBondContact O-N 3.19Å; N54-T56 PolarHBondContact O-N 3.35Å
55E49.5Very low51.6Low83 Ų83107.4 Ų107.439%0.38856%0.555SS.*THydrogen-bonded Turntrans-69-35.4-176.7-75.9-68113.400112.5D52 S57 Q58D52-E55 PolarHBondContact O-N 2.91Å; E55-S57 VanDerWaalsContact C-N 3.32Å; E55-S57 PolarHBondContact O-N 3.23Å; E55-Q58 PolarHBondContact O-N 3.43Å
56T46.3Very low52.7Low44 Ų44105.8 Ų105.827%0.2756%0.557SS.*Hα-helixtrans-60.4-35.1-167.5-760000113.8N54 L59 E60N54-T56 PolarHBondContact O-N 3.35Å; T56-L59 PolarHBondContact O-N 3.4Å; T56-E60 WeakPolarHBondContact O-CB 3.45Å; T56-E60 PolarHBondContact O-N 3.16Å
57S53.3Low53.7Low67 Ų6799.4 Ų99.447%0.46953%0.53SS..Hα-helixtrans-73.4-32.4-175.2-62.50000114.2E55 E60 Y61E55-S57 VanDerWaalsContact C-N 3.32Å; E55-S57 PolarHBondContact O-N 3.23Å; S57-E60 PolarHBondContact O-N 3.17Å; S57-Y61 VanDerWaalsContact O-CD2 3.27Å; S57-Y61 WeakPolarHBondContact O-CD2 3.13Å
58Q51.3Low54.6Low49 Ų4995.3 Ų95.323%0.22951%0.514CS..Hα-helixtrans-72.3-33173.5-74.8-168.496.200111.7E55 N62 V171E55-Q58 PolarHBondContact O-N 3.43Å; Q58-N62 PolarHBondContact O-ND2 2.9Å; Q58-V171 HydrophobicContact CG-CG2 4.47Å
59L57.6Low55.5Low39 Ų3995.5 Ų95.520%0.20452%0.521CS..Hα-helixtrans-69.8-34.8171.5-64.1177000111.6T56 Y61 N62 R63 V126T56-L59 PolarHBondContact O-N 3.4Å; L59-Y61 PolarHBondContact O-N 3.31Å; L59-N62 CarbonylContact O-C 3.49Å; L59-N62 WeakPolarHBondContact O-CA 3.4Å; L59-N62 WeakPolarHBondContact O-CB 3.45Å; L59-N62 PolarHBondContact O-N 3.07Å; L59-R63 WeakPolarHBondContact O-CG 3.38Å; L59-R63 PolarHBondContact O-N 2.99Å; L59-V126 HydrophobicContact CD2-CB 4.5Å; L59-V126 HydrophobicContact CD2-CG2 4Å
60E55.5Low56.1Low124 Ų12493.9 Ų93.958%0.57952%0.52SS*.Hα-helixtrans-62-42-177.4-172.5163.8-140.100113.9T56 S57 N62 R63T56-E60 WeakPolarHBondContact O-CB 3.45Å; T56-E60 PolarHBondContact O-N 3.16Å; S57-E60 PolarHBondContact O-N 3.17Å; E60-N62 PolarHBondContact O-N 2.8Å; E60-R63 PolarHBondContact O-N 2.94Å; E60-R63 VanDerWaalsContact O-N 3.12Å
61Y58.3Low57.2Low213 Ų21390 Ų9084%0.83550%0.503SS*.Hα-helixtrans-62.9-26.7172.6-70.4-70.2000113.4S57 L59S57-Y61 VanDerWaalsContact O-CD2 3.27Å; S57-Y61 WeakPolarHBondContact O-CD2 3.13Å; L59-Y61 PolarHBondContact O-N 3.31Å
62N72.9Confident58.1Low31 Ų3190 Ų9017%0.16651%0.506CS..Hα-helixtrans-89.2-9.4177.3-73.3-66.7000113.3Q58 L59 E60 I64 L143 S144 E145Q58-N62 PolarHBondContact O-ND2 2.9Å; L59-N62 CarbonylContact O-C 3.49Å; L59-N62 WeakPolarHBondContact O-CA 3.4Å; L59-N62 WeakPolarHBondContact O-CB 3.45Å; L59-N62 PolarHBondContact O-N 3.07Å; E60-N62 PolarHBondContact O-N 2.8Å; N62-I64 PolarHBondContact O-N 2.76Å; N62-L143 HydrophobicContact CB-CD2 4.11Å; N62-L143 CarbonylContact O-C 3.52Å; N62-L143 VanDerWaalsContact O-CA 3.29Å; N62-L143 WeakPolarHBondContact O-CA 3.29Å; N62-S144 WeakPolarHBondContact CA-OG 3.26Å; N62-S144 PolarHBondContact O-N 3.14Å; N62-S144 PolarHBondContact O-OG 3.32Å; N62-E145 WeakPolarHBondContact OD1-CG 3.42Å
63R78.4Confident59Low112 Ų11292 Ų9242%0.42352%0.517SS..BIsolated β-bridgetrans-74.4109-174.5-84.4169.8-166.1165.61.1112L59 E60 T65 G142L59-R63 WeakPolarHBondContact O-CG 3.38Å; L59-R63 PolarHBondContact O-N 2.99Å; E60-R63 PolarHBondContact O-N 2.94Å; E60-R63 VanDerWaalsContact O-N 3.12Å; R63-T65 PolarHBondContact O-N 3.05Å; R63-G142 CarbonylContact C-O 3.55Å; R63-G142 VanDerWaalsContact CA-O 3.29Å; R63-G142 WeakPolarHBondContact CA-O 3.47Å
64I74.5Confident60.2Low14 Ų1486.7 Ų86.77%0.07250%0.497CS..  trans-58.8117.4158.9-72.2174.2000107.8N62 P66 F80 I138 G142 L143N62-I64 PolarHBondContact O-N 2.76Å; I64-P66 WeakPolarHBondContact O-CD 3.5Å; I64-F80 HydrophobicContact CB-CD1 4.33Å; I64-F80 HydrophobicContact CD1-CB 3.89Å; I64-F80 HydrophobicContact CD1-CD1 4.32Å; I64-F80 HydrophobicContact CD1-CG 4.08Å; I64-F80 HydrophobicContact CG1-CB 4.38Å; I64-F80 HydrophobicContact CG1-CD1 4.03Å; I64-F80 HydrophobicContact CG1-CG 4.31Å; I64-F80 HydrophobicContact CG2-CD1 3.58Å; I64-F80 HydrophobicContact CG2-CD2 4.38Å; I64-F80 HydrophobicContact CG2-CE1 3.54Å; I64-F80 HydrophobicContact CG2-CE2 4.38Å; I64-F80 HydrophobicContact CG2-CG 4.01Å; I64-F80 HydrophobicContact CG2-CZ 3.95Å; I64-I138 HydrophobicContact CD1-CG2 3.73Å; I64-G142 PolarHBondContact N-O 2.81Å; I64-L143 VanDerWaalsContact CD1-O 3.25Å; I64-L143 WeakPolarHBondContact CD1-O 3.49Å
65T68.8Low61.7Low110 Ų11086.5 Ų86.568%0.67550%0.504SS*.  trans-59.5119.7173.3-44.60000109.4R63 V67R63-T65 PolarHBondContact O-N 3.05Å; T65-V67 PolarHBondContact O-N 2.9Å
66P61.9Low63.1Low101 Ų10189.5 Ų89.566%0.65652%0.515SS*.  trans-66.8111.8-175.225.3-33.5000110.1I64I64-P66 WeakPolarHBondContact O-CD 3.5Å
67V60.6Low64.8Low38 Ų3892.1 Ų92.123%0.2353%0.525CS..  trans-74.1128175.4169.80000108.5T65 A69 T71 Q78 F80T65-V67 PolarHBondContact O-N 2.9Å; V67-A69 PolarHBondContact O-N 2.95Å; V67-T71 HydrophobicContact CG1-CG2 4Å; V67-T71 WeakPolarHBondContact CG1-OG1 3.36Å; V67-Q78 HydrophobicContact CG2-CG 4.5Å; V67-F80 HydrophobicContact CG2-CZ 3.76Å
68P59.9Low66.3Low92 Ų9293.8 Ų93.860%0.59753%0.525SS*.  trans-60.9127.3177.624.4-33.2000109.9A70 T71P68-A70 PolarHBondContact O-N 3.4Å; P68-T71 HydrophobicContact CG-CG2 4.28Å; P68-T71 PolarHBondContact O-N 3.38Å
69A58.4Low68.2Low89 Ų8995.1 Ų95.174%0.73654%0.537SS*.THydrogen-bonded Turntrans-58.1-9.1-170.500000115.7V67V67-A69 PolarHBondContact O-N 2.95Å
70A57.1Low69.7Low91 Ų9194.5 Ų94.575%0.75253%0.532SS*.THydrogen-bonded Turntrans-79.7-3.8179.100000115.4P68 S72P68-A70 PolarHBondContact O-N 3.4Å; A70-S72 PolarHBondContact O-N 3.21Å
71T58.4Low71.6Confident78 Ų7895.9 Ų95.948%0.47953%0.532SS..  trans-74.437.1-177.563.50000114.8V67 P68 N73V67-T71 HydrophobicContact CG1-CG2 4Å; V67-T71 WeakPolarHBondContact CG1-OG1 3.36Å; P68-T71 HydrophobicContact CG-CG2 4.28Å; P68-T71 PolarHBondContact O-N 3.38Å; T71-N73 PolarHBondContact O-N 3.29Å
72S61.4Low73.4Confident94 Ų9485.8 Ų85.866%0.65749%0.493SS*.THydrogen-bonded Turntrans-71.4-11.9-178.4-167.50000114.6A70A70-S72 PolarHBondContact O-N 3.21Å
73N60.8Low74.5Confident168 Ų16885.4 Ų85.490%0.89849%0.492SS*.THydrogen-bonded Turntrans-94.27.3-179.6-83.5-31.2000114T71T71-N73 PolarHBondContact O-N 3.29Å
74A72.2Confident75.3Confident52 Ų5280.1 Ų80.143%0.4347%0.472SS..SBendtrans-76.5139.3168.600000110.2F76A74-F76 WeakPolarHBondContact CB-O 3.41Å; A74-F76 PolarHBondContact O-N 2.61Å
75P78.8Confident76.3Confident128 Ų12880.3 Ų80.383%0.83147%0.473SS*.SBendtrans-69.9-3.1179.629-35.4000113.9
76F78.7Confident77.4Confident145 Ų14575.9 Ų75.964%0.63645%0.445SS*.SBendtrans-146.5142.5170.348.7-95.9000108.6A74A74-F76 WeakPolarHBondContact CB-O 3.41Å; A74-F76 PolarHBondContact O-N 2.61Å
77E81.2Confident78.5Confident100 Ų10073.3 Ų73.347%0.46743%0.428SS..PPolyproline II helixtrans-70.8143.5170.8-171177164.400110T79 G97 A98 R99E77-T79 PolarHBondContact O-N 3.33Å; E77-G97 WeakPolarHBondContact OE1-CA 3.49Å; E77-A98 PolarHBondContact OE1-N 2.96Å; E77-R99 PolarHBondContact OE1-N 2.99Å
78Q84.8Confident79.5Confident102 Ų10280.5 Ų80.548%0.47746%0.456SS..PPolyproline II helixtrans-69.7117.8173.1-177.6169.7-32.200109.7V67 F80V67-Q78 HydrophobicContact CG2-CG 4.5Å; Q78-F80 HydrophobicContact CB-CE2 4.44Å; Q78-F80 HydrophobicContact CG-CE1 4.36Å; Q78-F80 HydrophobicContact CG-CE2 3.97Å; Q78-F80 HydrophobicContact CG-CZ 3.74Å; Q78-F80 WeakPolarHBondContact O-CE2 3.41Å
79T91.8Very high80.4Confident77 Ų7783 Ų8347%0.47247%0.465SS..EExtended strand (participates in β ladder)trans-104139.517853.50000111.7E77 L96E77-T79 PolarHBondContact O-N 3.33Å; T79-L96 CarbonylContact C-O 3.52Å; T79-L96 VanDerWaalsContact CA-O 3.27Å; T79-L96 WeakPolarHBondContact CA-O 3.36Å
80F90.3Very high81.9Confident25 Ų2583.2 Ų83.211%0.1145%0.451CS..EExtended strand (participates in β ladder)trans-105.5147.4179.7-59.1-88.3000109I64 V67 Q78 R95 L96 A98I64-F80 HydrophobicContact CB-CD1 4.33Å; I64-F80 HydrophobicContact CD1-CB 3.89Å; I64-F80 HydrophobicContact CD1-CD1 4.32Å; I64-F80 HydrophobicContact CD1-CG 4.08Å; I64-F80 HydrophobicContact CG1-CB 4.38Å; I64-F80 HydrophobicContact CG1-CD1 4.03Å; I64-F80 HydrophobicContact CG1-CG 4.31Å; I64-F80 HydrophobicContact CG2-CD1 3.58Å; I64-F80 HydrophobicContact CG2-CD2 4.38Å; I64-F80 HydrophobicContact CG2-CE1 3.54Å; I64-F80 HydrophobicContact CG2-CE2 4.38Å; I64-F80 HydrophobicContact CG2-CG 4.01Å; I64-F80 HydrophobicContact CG2-CZ 3.95Å; V67-F80 HydrophobicContact CG2-CZ 3.76Å; Q78-F80 HydrophobicContact CB-CE2 4.44Å; Q78-F80 HydrophobicContact CG-CE1 4.36Å; Q78-F80 HydrophobicContact CG-CE2 3.97Å; Q78-F80 HydrophobicContact CG-CZ 3.74Å; Q78-F80 WeakPolarHBondContact O-CE2 3.41Å; F80-R95 VanDerWaalsContact O-CA 3.28Å; F80-R95 WeakPolarHBondContact O-CA 3.28Å; F80-L96 PolarHBondContact N-O 3.43Å; F80-L96 PolarHBondContact O-N 2.88Å; F80-L96 VanDerWaalsContact O-N 3.07Å; F80-A98 HydrophobicContact CD2-CB 4.33Å; F80-A98 HydrophobicContact CE2-CB 3.78Å
81R94.3Very high83.7Confident153 Ų15384.1 Ų84.158%0.57744%0.442SS*.EExtended strand (participates in β ladder)trans-78.9126.3164.4-72.1-179.7174.6-84.58.9106.9A94 R95R81-A94 WeakPolarHBondContact CA-O 3.34Å; R81-R95 HydrophobicContact CG-CG 4Å
82I95.2Very high85.5Confident2 Ų281.9 Ų81.91%0.0143%0.426CS..EExtended strand (participates in β ladder)trans-119128.3171.2-172.2157.4000109.7V93 A94 L96 L105 I138 S144 I146I82-V93 WeakPolarHBondContact O-CA 3.45Å; I82-A94 HydrophobicContact CG2-CB 4.12Å; I82-A94 PolarHBondContact N-O 2.95Å; I82-A94 PolarHBondContact O-N 2.78Å; I82-L96 HydrophobicContact CG2-CD1 4.21Å; I82-L105 HydrophobicContact CD1-CD2 3.78Å; I82-L105 HydrophobicContact CG1-CD2 4.35Å; I82-L105 HydrophobicContact CG2-CD2 4.18Å; I82-I138 HydrophobicContact CD1-CD1 4.34Å; I82-I138 HydrophobicContact CD1-CG1 4.18Å; I82-I138 HydrophobicContact CD1-CG2 4.08Å; I82-I138 HydrophobicContact CG2-CD1 4.36Å; I82-S144 CarbonylContact C-O 3.49Å; I82-S144 VanDerWaalsContact CA-O 3.28Å; I82-S144 WeakPolarHBondContact CA-O 3.49Å; I82-I146 HydrophobicContact CD1-CD1 4Å; I82-I146 HydrophobicContact CD1-CG1 4.26Å; I82-I146 HydrophobicContact CD1-CG2 4.49Å; I82-I146 HydrophobicContact CG1-CG1 4.49Å
83T96.2Very high87.2Confident23 Ų2380.7 Ų80.714%0.14141%0.414CS..EExtended strand (participates in β ladder)trans-96.3122171.9-51.20000108.4L85 L91 V93 S144 E145 I146T83-L85 HydrophobicContact CG2-CD1 4.27Å; T83-L91 HydrophobicContact CG2-CB 4.19Å; T83-V93 HydrophobicContact CG2-CG2 4.12Å; T83-S144 PolarHBondContact N-O 3.02Å; T83-E145 WeakPolarHBondContact CB-OE1 3.35Å; T83-E145 VanDerWaalsContact O-CA 3.31Å; T83-E145 WeakPolarHBondContact O-CA 3.36Å; T83-E145 PolarHBondContact OG1-OE1 2.86Å; T83-I146 PolarHBondContact O-N 2.94Å
84V96.1Very high88.8Confident0 Ų073.2 Ų73.20%038%0.376CS..EExtended strand (participates in β ladder)trans-98.4120.6166.3-178.70000107.7L86 L91 F92 L105 V109 F122 I146 L148V84-L86 HydrophobicContact CB-CD1 4.33Å; V84-L86 HydrophobicContact CG1-CD1 3.95Å; V84-L86 WeakPolarHBondContact O-CD1 3.4Å; V84-L91 CarbonylContact O-C 3.56Å; V84-L91 VanDerWaalsContact O-CA 3.24Å; V84-L91 WeakPolarHBondContact O-CA 3.36Å; V84-F92 HydrophobicContact CB-CB 4.34Å; V84-F92 HydrophobicContact CG2-CD1 4.44Å; V84-F92 PolarHBondContact N-O 3.13Å; V84-F92 PolarHBondContact O-N 3.1Å; V84-L105 HydrophobicContact CG2-CD1 4.1Å; V84-L105 HydrophobicContact CG2-CD2 4.09Å; V84-L105 HydrophobicContact CG2-CG 4.27Å; V84-V109 HydrophobicContact CB-CG2 4.21Å; V84-V109 HydrophobicContact CG1-CG1 4.39Å; V84-V109 HydrophobicContact CG1-CG2 4.17Å; V84-V109 HydrophobicContact CG2-CG2 3.86Å; V84-F122 HydrophobicContact CG1-CD1 4.48Å; V84-F122 HydrophobicContact CG1-CE1 3.77Å; V84-F122 HydrophobicContact CG2-CE1 4.22Å; V84-I146 CarbonylContact C-O 3.5Å; V84-I146 WeakPolarHBondContact CA-O 3.34Å; V84-I146 HydrophobicContact CG2-CD1 4.21Å; V84-I146 HydrophobicContact CG2-CG1 3.97Å; V84-L148 HydrophobicContact CG1-CB 3.85Å
85L94.8Very high89.9Confident18 Ų1878.2 Ų78.29%0.09438%0.384CS..EExtended strand (participates in β ladder)trans-82.8123.2171.7-67.775.8000108T83 P125 E145 I146 R147 L148 F166T83-L85 HydrophobicContact CG2-CD1 4.27Å; L85-P125 HydrophobicContact CD1-CB 4.49Å; L85-E145 HydrophobicContact CD1-CB 4.07Å; L85-I146 WeakPolarHBondContact CD1-O 3.38Å; L85-I146 PolarHBondContact N-O 3.02Å; L85-R147 HydrophobicContact CB-CG 4.41Å; L85-L148 PolarHBondContact O-N 3.31Å; L85-F166 HydrophobicContact CD2-CD1 4.07Å; L85-F166 HydrophobicContact CD2-CE1 3.6Å; L85-F166 HydrophobicContact CD2-CZ 4.05Å
86L93.2Very high90.6Very high18 Ų1873.6 Ų73.69%0.09435%0.352CS..EExtended strand (participates in β ladder)trans-107.2160177.9-78.392.8000111.2V84 Q90 F92 V109 K113 L115 L148V84-L86 HydrophobicContact CB-CD1 4.33Å; V84-L86 HydrophobicContact CG1-CD1 3.95Å; V84-L86 WeakPolarHBondContact O-CD1 3.4Å; L86-Q90 HydrophobicContact CB-CB 4.08Å; L86-Q90 PolarHBondContact N-O 2.8Å; L86-F92 HydrophobicContact CD1-CB 3.77Å; L86-V109 HydrophobicContact CD1-CG1 4.15Å; L86-V109 HydrophobicContact CD2-CG1 4.02Å; L86-V109 HydrophobicContact CG-CG1 4.38Å; L86-K113 HydrophobicContact CD2-CB 4.11Å; L86-K113 HydrophobicContact CD2-CD 4.05Å; L86-K113 HydrophobicContact CD2-CG 3.68Å; L86-L115 HydrophobicContact CD2-CD1 3.98Å; L86-L148 HydrophobicContact CD2-CD2 4Å; L86-L148 HydrophobicContact CG-CB 4.41Å; L86-L148 HydrophobicContact CG-CD2 4.05Å
87P83.6Confident91.3Very high47 Ų4766.9 Ų66.931%0.30532%0.324SS..THydrogen-bonded Turntrans-55.6149.7169.1-23.735.2000111.8L148P87-L148 WeakPolarHBondContact CD-O 3.38Å
88K81.3Confident91.8Very high188 Ų18862.9 Ų62.982%0.81731%0.308SS*.THydrogen-bonded Turntrans69.843.9-179.7-46.5168.2-175.5172.30114.3Q90K88-Q90 PolarHBondContact O-N 2.98Å
89D79.7Confident92.2Very high146 Ų14666.3 Ų66.378%0.78132%0.316SS*.THydrogen-bonded Turntrans52.528.2175.9-58.8-22000114.6
90Q90.2Very high92.3Very high93 Ų9364.2 Ų64.244%0.43530%0.303SS..EExtended strand (participates in β ladder)trans-96.5154174.8-69.9-167.740.900111.1L86 K88L86-Q90 HydrophobicContact CB-CB 4.08Å; L86-Q90 PolarHBondContact N-O 2.8Å; K88-Q90 PolarHBondContact O-N 2.98Å
91L95.5Very high92.6Very high110 Ų11065 Ų6558%0.57631%0.311SS*.EExtended strand (participates in β ladder)trans-132.1159.4171.253.383.6000111.3T83 V84 V93 K113T83-L91 HydrophobicContact CG2-CB 4.19Å; V84-L91 CarbonylContact O-C 3.56Å; V84-L91 VanDerWaalsContact O-CA 3.24Å; V84-L91 WeakPolarHBondContact O-CA 3.36Å; L91-V93 HydrophobicContact CD1-CG2 3.84Å; L91-K113 PolarHBondContact O-NZ 3.18Å
92F96Very high92.7Very high31 Ų3157.8 Ų57.814%0.13628%0.284CS..EExtended strand (participates in β ladder)trans-133.2121.4171.6174.4-90.5000108.3V84 L86 A94 L105 L108 V109 N112V84-F92 HydrophobicContact CB-CB 4.34Å; V84-F92 HydrophobicContact CG2-CD1 4.44Å; V84-F92 PolarHBondContact N-O 3.13Å; V84-F92 PolarHBondContact O-N 3.1Å; L86-F92 HydrophobicContact CD1-CB 3.77Å; F92-A94 HydrophobicContact CE1-CB 3.88Å; F92-L105 HydrophobicContact CE1-CD1 4.23Å; F92-L108 HydrophobicContact CE1-CD2 4.08Å; F92-L108 HydrophobicContact CE1-CG 4.2Å; F92-L108 HydrophobicContact CZ-CD2 3.93Å; F92-L108 HydrophobicContact CZ-CG 3.81Å; F92-V109 HydrophobicContact CD1-CB 4.47Å; F92-V109 HydrophobicContact CD1-CG2 3.51Å; F92-V109 HydrophobicContact CE1-CG2 3.86Å; F92-V109 HydrophobicContact CG-CG2 4.12Å; F92-N112 HydrophobicContact CD2-CB 4.29Å; F92-N112 HydrophobicContact CE2-CB 3.81Å
93V95.9Very high92.7Very high68 Ų6859.4 Ų59.441%0.41230%0.296SS..EExtended strand (participates in β ladder)trans-116120.9-175178.20000110I82 T83 L91I82-V93 WeakPolarHBondContact O-CA 3.45Å; T83-V93 HydrophobicContact CG2-CG2 4.12Å; L91-V93 HydrophobicContact CD1-CG2 3.84Å
94A95.3Very high92.7Very high12 Ų1264.8 Ų64.810%0.09932%0.317CS..EExtended strand (participates in β ladder)trans-117.1164.7178.700000112R81 I82 F92 L96 L108R81-A94 WeakPolarHBondContact CA-O 3.34Å; I82-A94 HydrophobicContact CG2-CB 4.12Å; I82-A94 PolarHBondContact N-O 2.95Å; I82-A94 PolarHBondContact O-N 2.78Å; F92-A94 HydrophobicContact CE1-CB 3.88Å; A94-L96 HydrophobicContact CB-CD1 4.05Å; A94-L96 HydrophobicContact CB-CG 4.02Å; A94-L108 HydrophobicContact CB-CD2 4.49Å
95R95.3Very high92.7Very high157 Ų15764.8 Ų64.859%0.59232%0.317SS*.EExtended strand (participates in β ladder)trans-117.3112.4165.8-90.4179.7158.3177.9-9.2109.1F80 R81F80-R95 VanDerWaalsContact O-CA 3.28Å; F80-R95 WeakPolarHBondContact O-CA 3.28Å; R81-R95 HydrophobicContact CG-CG 4Å
96L93.9Very high92.8Very high30 Ų3064.4 Ų64.416%0.15732%0.315CS..EExtended strand (participates in β ladder)trans-135.3151.2-171.4-64.4175.2000110.8T79 F80 I82 A94 V100 L105 I138T79-L96 CarbonylContact C-O 3.52Å; T79-L96 VanDerWaalsContact CA-O 3.27Å; T79-L96 WeakPolarHBondContact CA-O 3.36Å; F80-L96 PolarHBondContact N-O 3.43Å; F80-L96 PolarHBondContact O-N 2.88Å; F80-L96 VanDerWaalsContact O-N 3.07Å; I82-L96 HydrophobicContact CG2-CD1 4.21Å; A94-L96 HydrophobicContact CB-CD1 4.05Å; A94-L96 HydrophobicContact CB-CG 4.02Å; L96-V100 HydrophobicContact CB-CB 4.35Å; L96-V100 HydrophobicContact CB-CG2 4.2Å; L96-V100 HydrophobicContact CD1-CG1 4.29Å; L96-V100 HydrophobicContact CD2-CG1 4.47Å; L96-L105 HydrophobicContact CD1-CB 4.29Å; L96-L105 HydrophobicContact CD1-CD1 3.8Å; L96-L105 HydrophobicContact CD1-CG 4.42Å; L96-I138 HydrophobicContact CB-CD1 3.56Å; L96-I138 HydrophobicContact CD1-CD1 3.49Å; L96-I138 VanDerWaalsContact CD1-CD1 3.49Å; L96-I138 HydrophobicContact CG-CD1 4.16Å
97G93.4Very high92.9Very high5 Ų566 Ų665%0.05233%0.328CS..EExtended strand (participates in β ladder)trans-71.8155175.900000111.8E77 R99 V100E77-G97 WeakPolarHBondContact OE1-CA 3.49Å; G97-R99 PolarHBondContact O-N 3.27Å; G97-R99 VanDerWaalsContact O-N 3.12Å; G97-V100 WeakPolarHBondContact O-CG2 3.39Å; G97-V100 PolarHBondContact O-N 3.19Å; G97-V100 VanDerWaalsContact O-N 3.13Å
98A91.8Very high93.5Very high15 Ų1566.8 Ų66.812%0.12433%0.329CS..THydrogen-bonded Turntrans-56.3-28.6175.900000112.5E77 F80 V100 T137 G139E77-A98 PolarHBondContact OE1-N 2.96Å; F80-A98 HydrophobicContact CD2-CB 4.33Å; F80-A98 HydrophobicContact CE2-CB 3.78Å; A98-V100 VanDerWaalsContact C-N 3.34Å; A98-V100 PolarHBondContact O-N 3.05Å; A98-T137 WeakPolarHBondContact O-CB 3.4Å; A98-T137 PolarHBondContact O-OG1 2.99Å; A98-G139 PolarHBondContact O-N 3.04Å
99R91.6Very high94.1Very high174 Ų17457.9 Ų57.966%0.65729%0.29SS*.THydrogen-bonded Turntrans-83-2.9-177.4-57-175.568.1175.61.4114.6E77 G97E77-R99 PolarHBondContact OE1-N 2.99Å; G97-R99 PolarHBondContact O-N 3.27Å; G97-R99 VanDerWaalsContact O-N 3.12Å
100V94.4Very high94.8Very high33 Ų3351.1 Ų51.120%0.225%0.254CS..  trans-75126.6-179.5178.70000109.5L96 G97 A98 K104 T137 I138L96-V100 HydrophobicContact CB-CB 4.35Å; L96-V100 HydrophobicContact CB-CG2 4.2Å; L96-V100 HydrophobicContact CD1-CG1 4.29Å; L96-V100 HydrophobicContact CD2-CG1 4.47Å; G97-V100 WeakPolarHBondContact O-CG2 3.39Å; G97-V100 PolarHBondContact O-N 3.19Å; G97-V100 VanDerWaalsContact O-N 3.13Å; A98-V100 VanDerWaalsContact C-N 3.34Å; A98-V100 PolarHBondContact O-N 3.05Å; V100-K104 HydrophobicContact CG1-CB 4.16Å; V100-K104 HydrophobicContact CG1-CG 4.46Å; V100-T137 WeakPolarHBondContact O-CA 3.48Å; V100-I138 HydrophobicContact CB-CD1 4.17Å; V100-I138 HydrophobicContact CG1-CD1 4.36Å; V100-I138 PolarHBondContact O-N 3.02Å
101P96.1Very high95.1Very high43 Ų4351.9 Ų51.928%0.27926%0.261SS..BIsolated β-bridgetrans-73.3150.6177.131.6-35.6000111.6S103 K104 L105 S136P101-S103 PolarHBondContact O-N 3.13Å; P101-K104 HydrophobicContact CG-CB 4.08Å; P101-K104 PolarHBondContact O-N 3.22Å; P101-L105 PolarHBondContact O-N 3.06Å; P101-S136 CarbonylContact C-O 3.4Å
102L96.2Very high95Very high0 Ų051.3 Ų51.30%026%0.259CS..Hα-helixtrans-59.7-33.9176-80.6-171.6000111.7K104 L105 L106 F122 Y132 C134 S136 I138 V141 I146L102-K104 PolarHBondContact O-N 3.43Å; L102-L105 HydrophobicContact CD2-CD2 4.07Å; L102-L105 CarbonylContact O-C 3.58Å; L102-L105 WeakPolarHBondContact O-CA 3.07Å; L102-L105 PolarHBondContact O-N 3.42Å; L102-L106 WeakPolarHBondContact O-CB 3.3Å; L102-L106 PolarHBondContact O-N 2.91Å; L102-F122 HydrophobicContact CB-CD2 4.05Å; L102-F122 HydrophobicContact CB-CE2 4.3Å; L102-F122 HydrophobicContact CD1-CB 4.29Å; L102-F122 HydrophobicContact CD1-CD2 4Å; L102-F122 HydrophobicContact CD2-CD2 3.92Å; L102-F122 HydrophobicContact CD2-CE2 4.15Å; L102-F122 HydrophobicContact CG-CD2 4.22Å; L102-Y132 VanDerWaalsContact CD1-CB 3.46Å; L102-Y132 HydrophobicContact CD1-CG 4.38Å; L102-C134 CarbonylContact C-O 3.55Å; L102-C134 PolarHBondContact N-O 2.86Å; L102-S136 WeakPolarHBondContact CB-O 3.5Å; L102-S136 WeakPolarHBondContact CG-O 3.39Å; L102-S136 PolarHBondContact N-O 2.85Å; L102-I138 HydrophobicContact CD2-CG1 4.43Å; L102-V141 HydrophobicContact CD1-CG2 3.66Å; L102-V141 HydrophobicContact CD2-CG2 4.28Å; L102-V141 HydrophobicContact CG-CG2 3.95Å; L102-I146 HydrophobicContact CD2-CD1 3.8Å
103S95.8Very high94.8Very high37 Ų3752.9 Ų52.926%0.25927%0.266SS..Hα-helixtrans-50.7-42.9172.655.50000111.8P101 L106 S107 C134P101-S103 PolarHBondContact O-N 3.13Å; S103-L106 PolarHBondContact O-N 3.23Å; S103-S107 PolarHBondContact O-N 3.33Å; S103-S107 PolarHBondContact O-OG 2.97Å; S103-S107 VanDerWaalsContact O-OG 3.11Å; S103-C134 PolarHBondContact N-O 3.19Å
104K95.7Very high94.6Very high135 Ų13558.5 Ų58.559%0.58729%0.287SS*.Hα-helixtrans-73.9-30.8178.4-168.954.1173.3177.20113.3V100 P101 L102 L108V100-K104 HydrophobicContact CG1-CB 4.16Å; V100-K104 HydrophobicContact CG1-CG 4.46Å; P101-K104 HydrophobicContact CG-CB 4.08Å; P101-K104 PolarHBondContact O-N 3.22Å; L102-K104 PolarHBondContact O-N 3.43Å; K104-L108 VanDerWaalsContact O-CB 3.28Å; K104-L108 WeakPolarHBondContact O-CB 3.3Å; K104-L108 PolarHBondContact O-N 2.85Å; K104-L108 VanDerWaalsContact O-N 3.14Å
105L96.7Very high94.5Very high0 Ų060 Ų600%029%0.294CS..Hα-helixtrans-71.1-38.1171.2177.456.7000111.4I82 V84 F92 L96 P101 L102 L108 V109 F122 I138 I146I82-L105 HydrophobicContact CD1-CD2 3.78Å; I82-L105 HydrophobicContact CG1-CD2 4.35Å; I82-L105 HydrophobicContact CG2-CD2 4.18Å; V84-L105 HydrophobicContact CG2-CD1 4.1Å; V84-L105 HydrophobicContact CG2-CD2 4.09Å; V84-L105 HydrophobicContact CG2-CG 4.27Å; F92-L105 HydrophobicContact CE1-CD1 4.23Å; L96-L105 HydrophobicContact CD1-CB 4.29Å; L96-L105 HydrophobicContact CD1-CD1 3.8Å; L96-L105 HydrophobicContact CD1-CG 4.42Å; P101-L105 PolarHBondContact O-N 3.06Å; L102-L105 HydrophobicContact CD2-CD2 4.07Å; L102-L105 CarbonylContact O-C 3.58Å; L102-L105 WeakPolarHBondContact O-CA 3.07Å; L102-L105 PolarHBondContact O-N 3.42Å; L105-L108 PolarHBondContact O-N 3.25Å; L105-V109 HydrophobicContact CD1-CG2 3.89Å; L105-V109 HydrophobicContact CG-CG2 4.33Å; L105-V109 VanDerWaalsContact O-CG2 3.24Å; L105-V109 WeakPolarHBondContact O-CG2 3.34Å; L105-V109 PolarHBondContact O-N 3.39Å; L105-F122 HydrophobicContact CB-CE2 4.3Å; L105-F122 HydrophobicContact CB-CZ 4.37Å; L105-F122 HydrophobicContact CD2-CZ 4.27Å; L105-F122 HydrophobicContact CG-CE2 4.19Å; L105-F122 HydrophobicContact CG-CZ 3.83Å; L105-I138 HydrophobicContact CD2-CD1 4.21Å; L105-I146 HydrophobicContact CD2-CD1 3.69Å
106L96.4Very high94.4Very high11 Ų1156.7 Ų56.76%0.05829%0.288CS..Hα-helixtrans-61.5-53.8176.6-174.959.8000110.1L102 S103 L108 V109 C110 A117 F122 L148L102-L106 WeakPolarHBondContact O-CB 3.3Å; L102-L106 PolarHBondContact O-N 2.91Å; S103-L106 PolarHBondContact O-N 3.23Å; L106-L108 PolarHBondContact O-N 3.49Å; L106-V109 PolarHBondContact O-N 3.4Å; L106-C110 VanDerWaalsContact O-CB 3.25Å; L106-C110 WeakPolarHBondContact O-CB 3.33Å; L106-C110 PolarHBondContact O-N 2.82Å; L106-C110 PolarHBondContact O-SG 2.92Å; L106-C110 VanDerWaalsContact O-SG 3.36Å; L106-A117 HydrophobicContact CG-CB 4.48Å; L106-F122 HydrophobicContact CB-CE2 3.66Å; L106-F122 HydrophobicContact CB-CZ 4.09Å; L106-F122 HydrophobicContact CD1-CE2 4.15Å; L106-F122 HydrophobicContact CD1-CZ 4.1Å; L106-F122 HydrophobicContact CG-CE2 4.47Å; L106-L148 HydrophobicContact CD1-CD1 3.52Å
107S95.8Very high94.3Very high51 Ų5156.8 Ų56.836%0.35729%0.293SS..Hα-helixtrans-56.2-40.2174.1-48.50000111.9S103 D111S103-S107 PolarHBondContact O-N 3.33Å; S103-S107 PolarHBondContact O-OG 2.97Å; S103-S107 VanDerWaalsContact O-OG 3.11Å; S107-D111 VanDerWaalsContact O-CB 3.26Å; S107-D111 WeakPolarHBondContact O-CB 3.29Å; S107-D111 PolarHBondContact O-N 2.91Å
108L95.6Very high94.3Very high64 Ų6463 Ų6334%0.33533%0.325SS..Hα-helixtrans-66.8-44-179.7-17768.2000112.4F92 A94 K104 L105 L106 N112F92-L108 HydrophobicContact CE1-CD2 4.08Å; F92-L108 HydrophobicContact CE1-CG 4.2Å; F92-L108 HydrophobicContact CZ-CD2 3.93Å; F92-L108 HydrophobicContact CZ-CG 3.81Å; A94-L108 HydrophobicContact CB-CD2 4.49Å; K104-L108 VanDerWaalsContact O-CB 3.28Å; K104-L108 WeakPolarHBondContact O-CB 3.3Å; K104-L108 PolarHBondContact O-N 2.85Å; K104-L108 VanDerWaalsContact O-N 3.14Å; L105-L108 PolarHBondContact O-N 3.25Å; L106-L108 PolarHBondContact O-N 3.49Å; L108-N112 WeakPolarHBondContact O-CB 3.36Å; L108-N112 PolarHBondContact O-N 3.49Å; L108-N112 PolarHBondContact O-ND2 3.34Å
109V95.7Very high94.3Very high0 Ų067.3 Ų67.30%034%0.341CS..Hα-helixtrans-64.3-47.9176.3176.20000109.8V84 L86 F92 L105 L106 N112 K113 F122 L148V84-V109 HydrophobicContact CB-CG2 4.21Å; V84-V109 HydrophobicContact CG1-CG1 4.39Å; V84-V109 HydrophobicContact CG1-CG2 4.17Å; V84-V109 HydrophobicContact CG2-CG2 3.86Å; L86-V109 HydrophobicContact CD1-CG1 4.15Å; L86-V109 HydrophobicContact CD2-CG1 4.02Å; L86-V109 HydrophobicContact CG-CG1 4.38Å; F92-V109 HydrophobicContact CD1-CB 4.47Å; F92-V109 HydrophobicContact CD1-CG2 3.51Å; F92-V109 HydrophobicContact CE1-CG2 3.86Å; F92-V109 HydrophobicContact CG-CG2 4.12Å; L105-V109 HydrophobicContact CD1-CG2 3.89Å; L105-V109 HydrophobicContact CG-CG2 4.33Å; L105-V109 VanDerWaalsContact O-CG2 3.24Å; L105-V109 WeakPolarHBondContact O-CG2 3.34Å; L105-V109 PolarHBondContact O-N 3.39Å; L106-V109 PolarHBondContact O-N 3.4Å; V109-N112 PolarHBondContact O-N 2.93Å; V109-K113 HydrophobicContact CG1-CG 4.39Å; V109-K113 VanDerWaalsContact O-CB 3.28Å; V109-K113 WeakPolarHBondContact O-CB 3.46Å; V109-K113 WeakPolarHBondContact O-CG 3.32Å; V109-K113 PolarHBondContact O-N 3.32Å; V109-F122 HydrophobicContact CG2-CZ 4.41Å; V109-L148 HydrophobicContact CG1-CD2 3.92Å
110C94.4Very high94.5Very high4 Ų461.1 Ų61.13%0.02732%0.318CS..Hα-helixtrans-64.4-44.9-178.2-72.90000113L106 N112 K113 Q114 L115 A117L106-C110 VanDerWaalsContact O-CB 3.25Å; L106-C110 WeakPolarHBondContact O-CB 3.33Å; L106-C110 PolarHBondContact O-N 2.82Å; L106-C110 PolarHBondContact O-SG 2.92Å; L106-C110 VanDerWaalsContact O-SG 3.36Å; C110-N112 VanDerWaalsContact C-N 3.3Å; C110-N112 PolarHBondContact O-N 2.9Å; C110-K113 PolarHBondContact O-N 3.31Å; C110-Q114 WeakPolarHBondContact O-CA 3.43Å; C110-Q114 PolarHBondContact O-N 3.18Å; C110-L115 HydrophobicContact CB-CB 4.3Å; C110-L115 VanDerWaalsContact CB-O 3.28Å; C110-L115 WeakPolarHBondContact CB-O 3.29Å; C110-L115 PolarHBondContact O-N 2.94Å; C110-L115 VanDerWaalsContact O-N 3.16Å; C110-A117 HydrophobicContact CB-CB 4.37Å
111D95.2Very high94.5Very high109 Ų10961 Ų6158%0.58332%0.315SS*.Hα-helixtrans-56.7-42.5172.4-97.229.7000111.4S107 K607S107-D111 VanDerWaalsContact O-CB 3.26Å; S107-D111 WeakPolarHBondContact O-CB 3.29Å; S107-D111 PolarHBondContact O-N 2.91Å; D111-K607 IonicContact OD2-NZ 2.75Å; D111-K607 PolarHBondContact OD2-NZ 3.43Å
112N94.2Very high94.5Very high99 Ų9959 Ų5953%0.52930%0.302SS..Hα-helixtrans-77.4-23.5-177.6-82.6-93.5000113.6F92 L108 V109 C110F92-N112 HydrophobicContact CD2-CB 4.29Å; F92-N112 HydrophobicContact CE2-CB 3.81Å; L108-N112 WeakPolarHBondContact O-CB 3.36Å; L108-N112 PolarHBondContact O-N 3.49Å; L108-N112 PolarHBondContact O-ND2 3.34Å; V109-N112 PolarHBondContact O-N 2.93Å; C110-N112 VanDerWaalsContact C-N 3.3Å; C110-N112 PolarHBondContact O-N 2.9Å
113K92.4Very high94.4Very high64 Ų6460.7 Ų60.728%0.27831%0.308SS..Hα-helixtrans-112.7-0.3-173.9-65.5-75.1-166.8175.10113.8L86 L91 V109 C110 L115L86-K113 HydrophobicContact CD2-CB 4.11Å; L86-K113 HydrophobicContact CD2-CD 4.05Å; L86-K113 HydrophobicContact CD2-CG 3.68Å; L91-K113 PolarHBondContact O-NZ 3.18Å; V109-K113 HydrophobicContact CG1-CG 4.39Å; V109-K113 VanDerWaalsContact O-CB 3.28Å; V109-K113 WeakPolarHBondContact O-CB 3.46Å; V109-K113 WeakPolarHBondContact O-CG 3.32Å; V109-K113 PolarHBondContact O-N 3.32Å; C110-K113 PolarHBondContact O-N 3.31Å; K113-L115 HydrophobicContact CB-CD1 4.03Å; K113-L115 HydrophobicContact CB-CG 3.98Å
114Q91.5Very high94.2Very high185 Ų18559 Ų5986%0.86430%0.297SS*.THydrogen-bonded Turntrans58.552.4-179.9-57.2173.916.800111.7C110C110-Q114 WeakPolarHBondContact O-CA 3.43Å; C110-Q114 PolarHBondContact O-N 3.18Å
115L92.1Very high94Very high45 Ų4553.9 Ų53.924%0.23628%0.277CS..  trans-117.7150178.8-54.8178.4000110.2L86 C110 K113 A117 Y120 L148L86-L115 HydrophobicContact CD2-CD1 3.98Å; C110-L115 HydrophobicContact CB-CB 4.3Å; C110-L115 VanDerWaalsContact CB-O 3.28Å; C110-L115 WeakPolarHBondContact CB-O 3.29Å; C110-L115 PolarHBondContact O-N 2.94Å; C110-L115 VanDerWaalsContact O-N 3.16Å; K113-L115 HydrophobicContact CB-CD1 4.03Å; K113-L115 HydrophobicContact CB-CG 3.98Å; L115-A117 PolarHBondContact O-N 2.87Å; L115-Y120 HydrophobicContact CB-CD2 4.13Å; L115-Y120 HydrophobicContact CB-CE2 3.87Å; L115-Y120 HydrophobicContact CD1-CE1 4.39Å; L115-Y120 HydrophobicContact CD1-CE2 4.34Å; L115-Y120 HydrophobicContact CD2-CE2 4.24Å; L115-Y120 HydrophobicContact CG-CE2 4.37Å; L115-L148 HydrophobicContact CD1-CD2 3.78Å
116D92.9Very high93.5Very high87 Ų8755.6 Ų55.647%0.46529%0.288SS..  trans-79115.3177.1-57.1-37.7000110.3D118 K119 Y120D116-D118 PolarHBondContact O-N 2.89Å; D116-D118 VanDerWaalsContact O-N 3.15Å; D116-K119 HydrophobicContact CB-CB 4.2Å; D116-K119 HydrophobicContact CB-CD 3.93Å; D116-K119 HydrophobicContact CB-CG 3.97Å; D116-K119 PolarHBondContact O-N 3.43Å; D116-K119 WeakPolarHBondContact OD2-CD 3.38Å; D116-K119 VanDerWaalsContact OD2-CE 3.28Å; D116-K119 WeakPolarHBondContact OD2-CE 3.38Å; D116-K119 IonicContact OD2-NZ 2.68Å; D116-K119 PolarHBondContact OD2-NZ 3.35Å; D116-Y120 WeakPolarHBondContact O-CD2 3.25Å
117A93.3Very high93.1Very high32 Ų3257.5 Ų57.526%0.26430%0.298SS..G310 helixtrans-55.1-36.2-177.100000113.3L106 C110 L115 K119 Y120L106-A117 HydrophobicContact CG-CB 4.48Å; C110-A117 HydrophobicContact CB-CB 4.37Å; L115-A117 PolarHBondContact O-N 2.87Å; A117-K119 PolarHBondContact O-N 2.84Å; A117-Y120 PolarHBondContact O-N 2.67Å
118D92.7Very high92.6Very high135 Ų13555.6 Ų55.672%0.72229%0.285SS*.G310 helixtrans-72.1-14.9-178.3-53.9-62.2000114.1D116 K151D116-D118 PolarHBondContact O-N 2.89Å; D116-D118 VanDerWaalsContact O-N 3.15Å; D118-K151 WeakPolarHBondContact O-CD 3.34Å; D118-K151 VanDerWaalsContact O-CE 3.25Å; D118-K151 WeakPolarHBondContact O-CE 3.31Å; D118-K151 PolarHBondContact O-NZ 3.2Å
119K92.5Very high92.2Very high105 Ų10555.7 Ų55.746%0.45729%0.291SS..G310 helixtrans-97.2-10.3-178.9-66.3-175.5-172.1156.90114.4D116 A117 H150 K151D116-K119 HydrophobicContact CB-CB 4.2Å; D116-K119 HydrophobicContact CB-CD 3.93Å; D116-K119 HydrophobicContact CB-CG 3.97Å; D116-K119 PolarHBondContact O-N 3.43Å; D116-K119 WeakPolarHBondContact OD2-CD 3.38Å; D116-K119 VanDerWaalsContact OD2-CE 3.28Å; D116-K119 WeakPolarHBondContact OD2-CE 3.38Å; D116-K119 IonicContact OD2-NZ 2.68Å; D116-K119 PolarHBondContact OD2-NZ 3.35Å; A117-K119 PolarHBondContact O-N 2.84Å; K119-H150 WeakPolarHBondContact O-CA 3.16Å; K119-H150 PolarHBondContact O-CD2 2.98Å; K119-H150 VanDerWaalsContact O-CD2 3.23Å; K119-K151 PolarHBondContact O-N 2.91Å
120Y94.1Very high92Very high44 Ų4459.9 Ų59.917%0.17331%0.311CS..EExtended strand (participates in β ladder)trans-119.5160-178.8-67.8-97.8000111.7L115 D116 A117 L148 C149 H150 K151L115-Y120 HydrophobicContact CB-CD2 4.13Å; L115-Y120 HydrophobicContact CB-CE2 3.87Å; L115-Y120 HydrophobicContact CD1-CE1 4.39Å; L115-Y120 HydrophobicContact CD1-CE2 4.34Å; L115-Y120 HydrophobicContact CD2-CE2 4.24Å; L115-Y120 HydrophobicContact CG-CE2 4.37Å; D116-Y120 WeakPolarHBondContact O-CD2 3.25Å; A117-Y120 PolarHBondContact O-N 2.67Å; Y120-L148 HydrophobicContact CD1-CD2 4.02Å; Y120-L148 HydrophobicContact CD1-CG 3.96Å; Y120-L148 HydrophobicContact CG-CD2 4.33Å; Y120-L148 HydrophobicContact CG-CG 4.33Å; Y120-C149 CarbonylContact C-O 3.52Å; Y120-C149 VanDerWaalsContact CA-O 3.24Å; Y120-C149 WeakPolarHBondContact CA-O 3.28Å; Y120-C149 WeakPolarHBondContact CB-O 3.49Å; Y120-C149 WeakPolarHBondContact CD1-O 3.42Å; Y120-H150 HydrophobicContact CD1-CB 4.32Å; Y120-H150 HydrophobicContact CE1-CB 4.12Å; Y120-H150 AromaticContact CE2-CD2 3.99Å; Y120-H150 AromaticContact CZ-CD2 3.9Å; Y120-K151 VanDerWaalsContact O-CE 3.3Å; Y120-K151 WeakPolarHBondContact O-CE 3.5Å
121E94.7Very high91.9Very high32 Ų3262.6 Ų62.615%0.1533%0.327CS..EExtended strand (participates in β ladder)trans-147.7163178.764.1-170.9-179.600110.5R123 V131 C149 K151E121-R123 IonicContact OE1-CZ 3.82Å; E121-R123 IonicContact OE1-NE 3.17Å; E121-R123 PolarHBondContact OE1-NE 2.91Å; E121-R123 IonicContact OE1-NH2 2.83Å; E121-R123 PolarHBondContact OE1-NH2 3.15Å; E121-V131 HydrophobicContact CB-CG1 4.42Å; E121-V131 HydrophobicContact CG-CG1 4.35Å; E121-C149 PolarHBondContact N-O 2.8Å; E121-C149 PolarHBondContact O-N 2.93Å; E121-K151 HydrophobicContact CB-CG 4.19Å; E121-K151 HydrophobicContact CG-CG 4.12Å
122F95.7Very high91.9Very high0 Ų058.9 Ų58.90%031%0.305CS..EExtended strand (participates in β ladder)trans-94.1132.6175.5-67.8-58.3000111.2V84 L102 L105 L106 V109 V131 Y132 I146 R147 L148V84-F122 HydrophobicContact CG1-CD1 4.48Å; V84-F122 HydrophobicContact CG1-CE1 3.77Å; V84-F122 HydrophobicContact CG2-CE1 4.22Å; L102-F122 HydrophobicContact CB-CD2 4.05Å; L102-F122 HydrophobicContact CB-CE2 4.3Å; L102-F122 HydrophobicContact CD1-CB 4.29Å; L102-F122 HydrophobicContact CD1-CD2 4Å; L102-F122 HydrophobicContact CD2-CD2 3.92Å; L102-F122 HydrophobicContact CD2-CE2 4.15Å; L102-F122 HydrophobicContact CG-CD2 4.22Å; L105-F122 HydrophobicContact CB-CE2 4.3Å; L105-F122 HydrophobicContact CB-CZ 4.37Å; L105-F122 HydrophobicContact CD2-CZ 4.27Å; L105-F122 HydrophobicContact CG-CE2 4.19Å; L105-F122 HydrophobicContact CG-CZ 3.83Å; L106-F122 HydrophobicContact CB-CE2 3.66Å; L106-F122 HydrophobicContact CB-CZ 4.09Å; L106-F122 HydrophobicContact CD1-CE2 4.15Å; L106-F122 HydrophobicContact CD1-CZ 4.1Å; L106-F122 HydrophobicContact CG-CE2 4.47Å; V109-F122 HydrophobicContact CG2-CZ 4.41Å; F122-V131 WeakPolarHBondContact O-CA 3.46Å; F122-Y132 HydrophobicContact CB-CD2 4.48Å; F122-Y132 PolarHBondContact O-N 2.8Å; F122-I146 HydrophobicContact CB-CD1 4.25Å; F122-I146 HydrophobicContact CD1-CD1 3.45Å; F122-I146 VanDerWaalsContact CD1-CD1 3.45Å; F122-I146 HydrophobicContact CD1-CG1 3.97Å; F122-I146 HydrophobicContact CD2-CD1 4.08Å; F122-I146 HydrophobicContact CE1-CD1 3.7Å; F122-I146 HydrophobicContact CE1-CG1 4.29Å; F122-I146 HydrophobicContact CE2-CD1 4.26Å; F122-I146 HydrophobicContact CG-CD1 3.67Å; F122-I146 HydrophobicContact CZ-CD1 4.1Å; F122-R147 CarbonylContact C-O 3.54Å; F122-R147 VanDerWaalsContact CA-O 3.27Å; F122-R147 WeakPolarHBondContact CA-O 3.43Å; F122-L148 HydrophobicContact CD1-CB 4.42Å; F122-L148 HydrophobicContact CD1-CD1 3.87Å; F122-L148 HydrophobicContact CE1-CB 4.31Å; F122-L148 HydrophobicContact CE1-CD1 3.56Å; F122-L148 HydrophobicContact CZ-CD1 4.19Å
123R95Very high91.9Very high35 Ų3558.1 Ų58.113%0.13231%0.308CS..EExtended strand (participates in β ladder)trans-123.8162.2175.1-73.7172.2179.1-100.5-1.5110.5E121 A128 Q130 V131 R147E121-R123 IonicContact OE1-CZ 3.82Å; E121-R123 IonicContact OE1-NE 3.17Å; E121-R123 PolarHBondContact OE1-NE 2.91Å; E121-R123 IonicContact OE1-NH2 2.83Å; E121-R123 PolarHBondContact OE1-NH2 3.15Å; R123-A128 WeakPolarHBondContact CD-O 3.38Å; R123-A128 PolarHBondContact NH1-O 3.16Å; R123-Q130 CarbonylContact C-O 3.54Å; R123-Q130 WeakPolarHBondContact CA-O 3.16Å; R123-V131 HydrophobicContact CG-CB 4.44Å; R123-V131 HydrophobicContact CG-CG2 3.92Å; R123-R147 PolarHBondContact N-O 3.44Å; R123-R147 WeakPolarHBondContact O-CB 3.35Å; R123-R147 PolarHBondContact O-N 2.96Å
124S92.2Very high92Very high2 Ų257.2 Ų57.21%0.01431%0.309CS..  trans-63.5145.2174.7-149.30000110.8V126 D127 Q130 Y132S124-V126 VanDerWaalsContact C-N 3.29Å; S124-D127 WeakPolarHBondContact CB-O 3.33Å; S124-Q130 VanDerWaalsContact CB-OE1 3.29Å; S124-Q130 PolarHBondContact N-O 3.02Å; S124-Q130 PolarHBondContact OG-OE1 3.42Å; S124-Y132 PolarHBondContact OG-OH 3.14Å
125P90.4Very high92.1Very high28 Ų2855.7 Ų55.718%0.18230%0.302CS..SBendtrans-76-19.6177.832.2-35.9000112.7L85 L143 E145L85-P125 HydrophobicContact CD1-CB 4.49Å; P125-L143 HydrophobicContact CG-CD1 4.4Å; P125-E145 WeakPolarHBondContact CD-O 3.27Å; P125-E145 HydrophobicContact CG-CB 4.36Å; P125-E145 WeakPolarHBondContact CG-O 3.25Å
126V87.2Confident92.2Very high36 Ų3655.1 Ų55.122%0.21830%0.302CS..SBendtrans-93-57.7177.4-177.50000110.3L59 S124L59-V126 HydrophobicContact CD2-CB 4.5Å; L59-V126 HydrophobicContact CD2-CG2 4Å; S124-V126 VanDerWaalsContact C-N 3.29Å
127D86.8Confident92.2Very high50 Ų5052.9 Ų52.927%0.26729%0.291SS..  trans-99.9112.6176.8173.733.7000111.9S124 S129 Q130S124-D127 WeakPolarHBondContact CB-O 3.33Å; D127-S129 PolarHBondContact O-N 3.29Å; D127-S129 VanDerWaalsContact OD1-CB 3.28Å; D127-S129 WeakPolarHBondContact OD1-CB 3.5Å; D127-S129 PolarHBondContact OD1-N 3.49Å; D127-S129 PolarHBondContact OD1-OG 3.09Å; D127-S129 WeakPolarHBondContact OD2-CB 3.29Å; D127-S129 PolarHBondContact OD2-OG 3.36Å; D127-Q130 HydrophobicContact CB-CB 4.42Å; D127-Q130 PolarHBondContact O-N 3.03Å; D127-Q130 VanDerWaalsContact OD2-CB 3.3Å; D127-Q130 WeakPolarHBondContact OD2-CB 3.45Å; D127-Q130 PolarHBondContact OD2-N 2.84Å
128A85.8Confident92.2Very high11 Ų1151.3 Ų51.39%0.09128%0.278CS..SBendtrans-68.5-13.6174.800000113.5R123 Y155 F158R123-A128 WeakPolarHBondContact CD-O 3.38Å; R123-A128 PolarHBondContact NH1-O 3.16Å; A128-Y155 HydrophobicContact CB-CD2 4.28Å; A128-Y155 HydrophobicContact CB-CE2 4.3Å; A128-F158 HydrophobicContact CB-CD2 3.67Å; A128-F158 HydrophobicContact CB-CE2 3.8Å; A128-F158 HydrophobicContact CB-CG 4.24Å; A128-F158 HydrophobicContact CB-CZ 4.43Å
129S87.4Confident92.1Very high66 Ų6645.8 Ų45.846%0.46225%0.253SS..SBendtrans-75.4-39.917797.60000112.2D127 V131D127-S129 PolarHBondContact O-N 3.29Å; D127-S129 VanDerWaalsContact OD1-CB 3.28Å; D127-S129 WeakPolarHBondContact OD1-CB 3.5Å; D127-S129 PolarHBondContact OD1-N 3.49Å; D127-S129 PolarHBondContact OD1-OG 3.09Å; D127-S129 WeakPolarHBondContact OD2-CB 3.29Å; D127-S129 PolarHBondContact OD2-OG 3.36Å; S129-V131 PolarHBondContact O-N 3.14Å; S129-V131 VanDerWaalsContact O-N 3.12Å
130Q90.7Very high92Very high89 Ų8945.8 Ų45.842%0.41626%0.262SS..  trans-70102.1-176.7177.1173.775.900112.5R123 S124 D127 Y132R123-Q130 CarbonylContact C-O 3.54Å; R123-Q130 WeakPolarHBondContact CA-O 3.16Å; S124-Q130 VanDerWaalsContact CB-OE1 3.29Å; S124-Q130 PolarHBondContact N-O 3.02Å; S124-Q130 PolarHBondContact OG-OE1 3.42Å; D127-Q130 HydrophobicContact CB-CB 4.42Å; D127-Q130 PolarHBondContact O-N 3.03Å; D127-Q130 VanDerWaalsContact OD2-CB 3.3Å; D127-Q130 WeakPolarHBondContact OD2-CB 3.45Å; D127-Q130 PolarHBondContact OD2-N 2.84Å; Q130-Y132 HydrophobicContact CG-CE1 4.02Å; Q130-Y132 PolarHBondContact OE1-OH 3.01Å
131V93.7Very high91.9Very high61 Ų6144.7 Ų44.737%0.3726%0.26SS..EExtended strand (participates in β ladder)trans-86.6138.2171.7-173.90000110.7E121 F122 R123 S129E121-V131 HydrophobicContact CB-CG1 4.42Å; E121-V131 HydrophobicContact CG-CG1 4.35Å; F122-V131 WeakPolarHBondContact O-CA 3.46Å; R123-V131 HydrophobicContact CG-CB 4.44Å; R123-V131 HydrophobicContact CG-CG2 3.92Å; S129-V131 PolarHBondContact O-N 3.14Å; S129-V131 VanDerWaalsContact O-N 3.12Å
132Y94.9Very high91.7Very high30 Ų3043.8 Ų43.812%0.11826%0.259CS..EExtended strand (participates in β ladder)trans-101.2120.7171.9-59.6-59.8000111.5L102 F122 S124 Q130 V141 L143 I146L102-Y132 VanDerWaalsContact CD1-CB 3.46Å; L102-Y132 HydrophobicContact CD1-CG 4.38Å; F122-Y132 HydrophobicContact CB-CD2 4.48Å; F122-Y132 PolarHBondContact O-N 2.8Å; S124-Y132 PolarHBondContact OG-OH 3.14Å; Q130-Y132 HydrophobicContact CG-CE1 4.02Å; Q130-Y132 PolarHBondContact OE1-OH 3.01Å; Y132-V141 HydrophobicContact CD1-CG1 4.21Å; Y132-V141 HydrophobicContact CD1-CG2 4.42Å; Y132-V141 HydrophobicContact CD2-CG1 4.07Å; Y132-V141 HydrophobicContact CE1-CG1 4.08Å; Y132-V141 HydrophobicContact CE2-CG1 3.93Å; Y132-V141 HydrophobicContact CG-CG1 4.21Å; Y132-V141 HydrophobicContact CG-CG2 4.35Å; Y132-L143 HydrophobicContact CE2-CD1 4.25Å; Y132-L143 WeakPolarHBondContact OH-CD1 3.25Å; Y132-I146 HydrophobicContact CD2-CG2 4.38Å; Y132-I146 HydrophobicContact CE2-CG2 4.2Å
133S94.4Very high91.5Very high84 Ų8444.2 Ų44.259%0.58726%0.262SS*.PPolyproline II helixtrans-62.2138.1176.6-41.80000111.6E135 S136S133-E135 PolarHBondContact O-N 3.41Å; S133-E135 VanDerWaalsContact O-N 3.08Å; S133-S136 WeakPolarHBondContact O-CB 3.04Å; S133-S136 PolarHBondContact O-N 3.25Å; S133-S136 PolarHBondContact O-OG 2.55Å
134C94Very high91.4Very high45 Ų4544 Ų4430%0.30427%0.266SS..THydrogen-bonded Turntrans-57.2-26-176.6-63.10000114.8L102 S103 S136L102-C134 CarbonylContact C-O 3.55Å; L102-C134 PolarHBondContact N-O 2.86Å; S103-C134 PolarHBondContact N-O 3.19Å; C134-S136 VanDerWaalsContact C-N 3.27Å; C134-S136 PolarHBondContact O-N 2.82Å
135E93.8Very high91.5Very high153 Ų15347.1 Ų47.172%0.71528%0.28SS*.THydrogen-bonded Turntrans-77-11.9177.1-59.3-51.796.600113.6S133S133-E135 PolarHBondContact O-N 3.41Å; S133-E135 VanDerWaalsContact O-N 3.08Å
136S93.6Very high91.7Very high33 Ų3345.8 Ų45.823%0.23127%0.271CS..SBendtrans-64.2137.8172.3-55.70000110.3P101 L102 S133 C134P101-S136 CarbonylContact C-O 3.4Å; L102-S136 WeakPolarHBondContact CB-O 3.5Å; L102-S136 WeakPolarHBondContact CG-O 3.39Å; L102-S136 PolarHBondContact N-O 2.85Å; S133-S136 WeakPolarHBondContact O-CB 3.04Å; S133-S136 PolarHBondContact O-N 3.25Å; S133-S136 PolarHBondContact O-OG 2.55Å; C134-S136 VanDerWaalsContact C-N 3.27Å; C134-S136 PolarHBondContact O-N 2.82Å
137T94.1Very high92.1Very high39 Ų3946 Ų4624%0.23927%0.268CS..BIsolated β-bridgetrans-84.2156.517167.80000111.7A98 V100 G139 T140 V141A98-T137 WeakPolarHBondContact O-CB 3.4Å; A98-T137 PolarHBondContact O-OG1 2.99Å; V100-T137 WeakPolarHBondContact O-CA 3.48Å; T137-G139 PolarHBondContact O-N 2.88Å; T137-T140 PolarHBondContact N-OG1 2.91Å; T137-T140 PolarHBondContact O-N 3.14Å; T137-T140 PolarHBondContact O-OG1 3.02Å; T137-T140 WeakPolarHBondContact OG1-CG2 3.43Å; T137-T140 PolarHBondContact OG1-N 3.05Å; T137-T140 PolarHBondContact OG1-OG1 2.8Å; T137-V141 WeakPolarHBondContact O-CG2 3.34Å; T137-V141 PolarHBondContact O-N 3.25Å
138I92.4Very high92.5Very high0 Ų043.7 Ų43.70%026%0.256CS..Hα-helixtrans-55.6-34.7174.4-67.5172000111.2I64 I82 L96 V100 L102 L105 G142I64-I138 HydrophobicContact CD1-CG2 3.73Å; I82-I138 HydrophobicContact CD1-CD1 4.34Å; I82-I138 HydrophobicContact CD1-CG1 4.18Å; I82-I138 HydrophobicContact CD1-CG2 4.08Å; I82-I138 HydrophobicContact CG2-CD1 4.36Å; L96-I138 HydrophobicContact CB-CD1 3.56Å; L96-I138 HydrophobicContact CD1-CD1 3.49Å; L96-I138 VanDerWaalsContact CD1-CD1 3.49Å; L96-I138 HydrophobicContact CG-CD1 4.16Å; V100-I138 HydrophobicContact CB-CD1 4.17Å; V100-I138 HydrophobicContact CG1-CD1 4.36Å; V100-I138 PolarHBondContact O-N 3.02Å; L102-I138 HydrophobicContact CD2-CG1 4.43Å; L105-I138 HydrophobicContact CD2-CD1 4.21Å; I138-G142 PolarHBondContact O-N 3.25Å
139G90.9Very high92.8Very high18 Ų1843.2 Ų43.219%0.18625%0.251CS..Hα-helixtrans-72.1-22.9174.900000115.5A98 T137A98-G139 PolarHBondContact O-N 3.04Å; T137-G139 PolarHBondContact O-N 2.88Å
140T90.6Very high93Very high106 Ų10643 Ų4365%0.6524%0.243SC*.Hα-helixtrans-93-29.6175.750.20000113T137 G142T137-T140 PolarHBondContact N-OG1 2.91Å; T137-T140 PolarHBondContact O-N 3.14Å; T137-T140 PolarHBondContact O-OG1 3.02Å; T137-T140 WeakPolarHBondContact OG1-CG2 3.43Å; T137-T140 PolarHBondContact OG1-N 3.05Å; T137-T140 PolarHBondContact OG1-OG1 2.8Å; T140-G142 VanDerWaalsContact C-N 3.27Å
141V91.3Very high93.1Very high20 Ų2044 Ų4412%0.12125%0.246CC..Hα-helixtrans-63.8-39.7165.1178.10000109.5L102 Y132 T137 L143 I146L102-V141 HydrophobicContact CD1-CG2 3.66Å; L102-V141 HydrophobicContact CD2-CG2 4.28Å; L102-V141 HydrophobicContact CG-CG2 3.95Å; Y132-V141 HydrophobicContact CD1-CG1 4.21Å; Y132-V141 HydrophobicContact CD1-CG2 4.42Å; Y132-V141 HydrophobicContact CD2-CG1 4.07Å; Y132-V141 HydrophobicContact CE1-CG1 4.08Å; Y132-V141 HydrophobicContact CE2-CG1 3.93Å; Y132-V141 HydrophobicContact CG-CG1 4.21Å; Y132-V141 HydrophobicContact CG-CG2 4.35Å; T137-V141 WeakPolarHBondContact O-CG2 3.34Å; T137-V141 PolarHBondContact O-N 3.25Å; V141-L143 HydrophobicContact CG1-CB 4.14Å; V141-L143 HydrophobicContact CG1-CG 4.25Å; V141-L143 PolarHBondContact O-N 3.29Å; V141-I146 HydrophobicContact CG1-CG2 4.05Å
142G90.9Very high92.8Very high14 Ų1445.1 Ų45.114%0.14426%0.257CS..  trans6913.1174.100000114.2R63 I64 I138 T140R63-G142 CarbonylContact C-O 3.55Å; R63-G142 VanDerWaalsContact CA-O 3.29Å; R63-G142 WeakPolarHBondContact CA-O 3.47Å; I64-G142 PolarHBondContact N-O 2.81Å; I138-G142 PolarHBondContact O-N 3.25Å; T140-G142 VanDerWaalsContact C-N 3.27Å
143L91.4Very high92.1Very high9 Ų946.2 Ų46.25%0.04726%0.263CS..BIsolated β-bridgetrans-109.5137.5178.2-61.4-173.2000112.7N62 I64 P125 Y132 V141 E145 I146N62-L143 HydrophobicContact CB-CD2 4.11Å; N62-L143 CarbonylContact O-C 3.52Å; N62-L143 VanDerWaalsContact O-CA 3.29Å; N62-L143 WeakPolarHBondContact O-CA 3.29Å; I64-L143 VanDerWaalsContact CD1-O 3.25Å; I64-L143 WeakPolarHBondContact CD1-O 3.49Å; P125-L143 HydrophobicContact CG-CD1 4.4Å; Y132-L143 HydrophobicContact CE2-CD1 4.25Å; Y132-L143 WeakPolarHBondContact OH-CD1 3.25Å; V141-L143 HydrophobicContact CG1-CB 4.14Å; V141-L143 HydrophobicContact CG1-CG 4.25Å; V141-L143 PolarHBondContact O-N 3.29Å; L143-E145 VanDerWaalsContact C-N 3.28Å; L143-E145 WeakPolarHBondContact CB-O 3.27Å; L143-I146 HydrophobicContact CB-CG2 4.28Å
144S93Very high90.5Very high31 Ų3145.7 Ų45.722%0.21726%0.259CS..SBendtrans-75.2-16.8167.254.20000113N62 I82 T83N62-S144 WeakPolarHBondContact CA-OG 3.26Å; N62-S144 PolarHBondContact O-N 3.14Å; N62-S144 PolarHBondContact O-OG 3.32Å; I82-S144 CarbonylContact C-O 3.49Å; I82-S144 VanDerWaalsContact CA-O 3.28Å; I82-S144 WeakPolarHBondContact CA-O 3.49Å; T83-S144 PolarHBondContact N-O 3.02Å
145E94.4Very high88.8Confident66 Ų6650.8 Ų50.831%0.30827%0.273SS..EExtended strand (participates in β ladder)trans-131.3134.1178.9-54.9-146.8142.400111.1N62 T83 L85 P125 L143N62-E145 WeakPolarHBondContact OD1-CG 3.42Å; T83-E145 WeakPolarHBondContact CB-OE1 3.35Å; T83-E145 VanDerWaalsContact O-CA 3.31Å; T83-E145 WeakPolarHBondContact O-CA 3.36Å; T83-E145 PolarHBondContact OG1-OE1 2.86Å; L85-E145 HydrophobicContact CD1-CB 4.07Å; P125-E145 WeakPolarHBondContact CD-O 3.27Å; P125-E145 HydrophobicContact CG-CB 4.36Å; P125-E145 WeakPolarHBondContact CG-O 3.25Å; L143-E145 VanDerWaalsContact C-N 3.28Å; L143-E145 WeakPolarHBondContact CB-O 3.27Å
146I94.9Very high87.1Confident0 Ų051 Ų510%028%0.279CS..EExtended strand (participates in β ladder)trans-139.1152176.662.8177.3000110.4I82 T83 V84 L85 L102 L105 F122 Y132 V141 L143I82-I146 HydrophobicContact CD1-CD1 4Å; I82-I146 HydrophobicContact CD1-CG1 4.26Å; I82-I146 HydrophobicContact CD1-CG2 4.49Å; I82-I146 HydrophobicContact CG1-CG1 4.49Å; T83-I146 PolarHBondContact O-N 2.94Å; V84-I146 CarbonylContact C-O 3.5Å; V84-I146 WeakPolarHBondContact CA-O 3.34Å; V84-I146 HydrophobicContact CG2-CD1 4.21Å; V84-I146 HydrophobicContact CG2-CG1 3.97Å; L85-I146 WeakPolarHBondContact CD1-O 3.38Å; L85-I146 PolarHBondContact N-O 3.02Å; L102-I146 HydrophobicContact CD2-CD1 3.8Å; L105-I146 HydrophobicContact CD2-CD1 3.69Å; F122-I146 HydrophobicContact CB-CD1 4.25Å; F122-I146 HydrophobicContact CD1-CD1 3.45Å; F122-I146 VanDerWaalsContact CD1-CD1 3.45Å; F122-I146 HydrophobicContact CD1-CG1 3.97Å; F122-I146 HydrophobicContact CD2-CD1 4.08Å; F122-I146 HydrophobicContact CE1-CD1 3.7Å; F122-I146 HydrophobicContact CE1-CG1 4.29Å; F122-I146 HydrophobicContact CE2-CD1 4.26Å; F122-I146 HydrophobicContact CG-CD1 3.67Å; F122-I146 HydrophobicContact CZ-CD1 4.1Å; Y132-I146 HydrophobicContact CD2-CG2 4.38Å; Y132-I146 HydrophobicContact CE2-CG2 4.2Å; V141-I146 HydrophobicContact CG1-CG2 4.05Å; L143-I146 HydrophobicContact CB-CG2 4.28Å
147R94.8Very high85.4Confident42 Ų4255.8 Ų55.816%0.15830%0.302CS..EExtended strand (participates in β ladder)trans-99.2137.3179.7-162.1176.3-133.8-93.41.4110.5L85 F122 R123L85-R147 HydrophobicContact CB-CG 4.41Å; F122-R147 CarbonylContact C-O 3.54Å; F122-R147 VanDerWaalsContact CA-O 3.27Å; F122-R147 WeakPolarHBondContact CA-O 3.43Å; R123-R147 PolarHBondContact N-O 3.44Å; R123-R147 WeakPolarHBondContact O-CB 3.35Å; R123-R147 PolarHBondContact O-N 2.96Å
148L95.3Very high83.5Confident1 Ų155.4 Ų55.41%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-99.1118.5168.9-17379.8000108.6V84 L85 L86 P87 L106 V109 L115 Y120 F122V84-L148 HydrophobicContact CG1-CB 3.85Å; L85-L148 PolarHBondContact O-N 3.31Å; L86-L148 HydrophobicContact CD2-CD2 4Å; L86-L148 HydrophobicContact CG-CB 4.41Å; L86-L148 HydrophobicContact CG-CD2 4.05Å; P87-L148 WeakPolarHBondContact CD-O 3.38Å; L106-L148 HydrophobicContact CD1-CD1 3.52Å; V109-L148 HydrophobicContact CG1-CD2 3.92Å; L115-L148 HydrophobicContact CD1-CD2 3.78Å; Y120-L148 HydrophobicContact CD1-CD2 4.02Å; Y120-L148 HydrophobicContact CD1-CG 3.96Å; Y120-L148 HydrophobicContact CG-CD2 4.33Å; Y120-L148 HydrophobicContact CG-CG 4.33Å; F122-L148 HydrophobicContact CD1-CB 4.42Å; F122-L148 HydrophobicContact CD1-CD1 3.87Å; F122-L148 HydrophobicContact CE1-CB 4.31Å; F122-L148 HydrophobicContact CE1-CD1 3.56Å; F122-L148 HydrophobicContact CZ-CD1 4.19Å
149C92.5Very high81.6Confident0 Ų059.9 Ų59.90%032%0.321CS..EExtended strand (participates in β ladder)trans-122.1157.7178.9-81.10000110.8Y120 E121 E153Y120-C149 CarbonylContact C-O 3.52Å; Y120-C149 VanDerWaalsContact CA-O 3.24Å; Y120-C149 WeakPolarHBondContact CA-O 3.28Å; Y120-C149 WeakPolarHBondContact CB-O 3.49Å; Y120-C149 WeakPolarHBondContact CD1-O 3.42Å; E121-C149 PolarHBondContact N-O 2.8Å; E121-C149 PolarHBondContact O-N 2.93Å; C149-E153 VanDerWaalsContact CA-OE2 3.26Å; C149-E153 WeakPolarHBondContact CA-OE2 3.41Å; C149-E153 VanDerWaalsContact CB-OE2 3.24Å; C149-E153 WeakPolarHBondContact CB-OE2 3.35Å; C149-E153 PolarHBondContact SG-OE2 3.38Å; C149-E153 VanDerWaalsContact SG-OE2 3.37Å
150H92.2Very high79.9Confident61 Ų6162.8 Ų62.828%0.28234%0.337SS..EExtended strand (participates in β ladder)trans-78.4142.7172.8-168.8-104.8000109.3K119 Y120 S152 E153K119-H150 WeakPolarHBondContact O-CA 3.16Å; K119-H150 PolarHBondContact O-CD2 2.98Å; K119-H150 VanDerWaalsContact O-CD2 3.23Å; Y120-H150 HydrophobicContact CD1-CB 4.32Å; Y120-H150 HydrophobicContact CE1-CB 4.12Å; Y120-H150 AromaticContact CE2-CD2 3.99Å; Y120-H150 AromaticContact CZ-CD2 3.9Å; H150-S152 PolarHBondContact CE1-OG 3.45Å; H150-S152 VanDerWaalsContact CE1-OG 3.32Å; H150-S152 PolarHBondContact ND1-N 3.39Å; H150-S152 PolarHBondContact ND1-OG 3.03Å; H150-S152 PolarHBondContact O-N 2.97Å; H150-S152 VanDerWaalsContact O-N 3.1Å; H150-E153 HydrophobicContact CB-CB 4.16Å; H150-E153 PolarHBondContact N-OE2 3.26Å; H150-E153 WeakPolarHBondContact O-CB 3.18Å; H150-E153 PolarHBondContact O-N 3.12Å
151K91.6Very high77.8Confident110 Ų11062.3 Ų62.348%0.47833%0.33SS..THydrogen-bonded Turntrans-64.4-18.7-176.6-69.6-178.3-177.9170.70114.3D118 K119 Y120 E121D118-K151 WeakPolarHBondContact O-CD 3.34Å; D118-K151 VanDerWaalsContact O-CE 3.25Å; D118-K151 WeakPolarHBondContact O-CE 3.31Å; D118-K151 PolarHBondContact O-NZ 3.2Å; K119-K151 PolarHBondContact O-N 2.91Å; Y120-K151 VanDerWaalsContact O-CE 3.3Å; Y120-K151 WeakPolarHBondContact O-CE 3.5Å; E121-K151 HydrophobicContact CB-CG 4.19Å; E121-K151 HydrophobicContact CG-CG 4.12Å
152S87.3Confident76.1Confident86 Ų8663.9 Ų63.960%0.60134%0.34SS*.THydrogen-bonded Turntrans-98.210.3171.881.90000113.6H150 S154H150-S152 PolarHBondContact CE1-OG 3.45Å; H150-S152 VanDerWaalsContact CE1-OG 3.32Å; H150-S152 PolarHBondContact ND1-N 3.39Å; H150-S152 PolarHBondContact ND1-OG 3.03Å; H150-S152 PolarHBondContact O-N 2.97Å; H150-S152 VanDerWaalsContact O-N 3.1Å; S152-S154 VanDerWaalsContact C-N 3.26Å; S152-S154 PolarHBondContact O-N 3.06Å
153E80Confident74.4Confident52 Ų5266.7 Ų66.724%0.24335%0.35CS..  trans-80.478.5176.2-159.2172.7-176.900108.4C149 H150 F158C149-E153 VanDerWaalsContact CA-OE2 3.26Å; C149-E153 WeakPolarHBondContact CA-OE2 3.41Å; C149-E153 VanDerWaalsContact CB-OE2 3.24Å; C149-E153 WeakPolarHBondContact CB-OE2 3.35Å; C149-E153 PolarHBondContact SG-OE2 3.38Å; C149-E153 VanDerWaalsContact SG-OE2 3.37Å; H150-E153 HydrophobicContact CB-CB 4.16Å; H150-E153 PolarHBondContact N-OE2 3.26Å; H150-E153 WeakPolarHBondContact O-CB 3.18Å; H150-E153 PolarHBondContact O-N 3.12Å; E153-F158 HydrophobicContact CB-CZ 4.29Å; E153-F158 HydrophobicContact CG-CE1 3.87Å; E153-F158 HydrophobicContact CG-CE2 4.46Å; E153-F158 HydrophobicContact CG-CZ 3.64Å; E153-F158 VanDerWaalsContact OE1-CE1 3.29Å; E153-F158 WeakPolarHBondContact OE1-CE1 3.28Å
154S62.6Low72.7Confident74 Ų7470.5 Ų70.552%0.51737%0.367SS..  trans-52.8141.3-179.6-59.20000111.4S152 D156 N157S152-S154 VanDerWaalsContact C-N 3.26Å; S152-S154 PolarHBondContact O-N 3.06Å; S154-D156 PolarHBondContact O-N 3.24Å; S154-N157 WeakPolarHBondContact O-CB 3.39Å; S154-N157 PolarHBondContact O-N 3.19Å
155Y58.2Low70.8Confident151 Ų15175.9 Ų75.959%0.59239%0.387SS*.G310 helixtrans-51.1-35.8-177.2-176.7-99.9000113.5A128 N157 F158A128-Y155 HydrophobicContact CB-CD2 4.28Å; A128-Y155 HydrophobicContact CB-CE2 4.3Å; Y155-N157 PolarHBondContact O-N 3.21Å; Y155-F158 WeakPolarHBondContact O-CD2 3.28Å; Y155-F158 PolarHBondContact O-N 3.07Å
156D58.2Low68.7Low158 Ų15876.8 Ų76.885%0.84539%0.39SS*.G310 helixtrans-66-18.9179.2-159.541.4000114.2S154S154-D156 PolarHBondContact O-N 3.24Å
157N56.8Low66.5Low133 Ų13380.1 Ų80.171%0.71141%0.406SS*.G310 helixtrans-85.7-5.4-178.6-109.5116.2000114.3S154 Y155 N159S154-N157 WeakPolarHBondContact O-CB 3.39Å; S154-N157 PolarHBondContact O-N 3.19Å; Y155-N157 PolarHBondContact O-N 3.21Å; N157-N159 PolarHBondContact O-N 2.87Å; N157-N159 VanDerWaalsContact O-N 3.16Å
158F55.2Low64.1Low32 Ų3285.6 Ų85.614%0.1443%0.426CS..  trans-79.394.6177.5-67.4-64.1000111.5A128 E153 Y155 P160A128-F158 HydrophobicContact CB-CD2 3.67Å; A128-F158 HydrophobicContact CB-CE2 3.8Å; A128-F158 HydrophobicContact CB-CG 4.24Å; A128-F158 HydrophobicContact CB-CZ 4.43Å; E153-F158 HydrophobicContact CB-CZ 4.29Å; E153-F158 HydrophobicContact CG-CE1 3.87Å; E153-F158 HydrophobicContact CG-CE2 4.46Å; E153-F158 HydrophobicContact CG-CZ 3.64Å; E153-F158 VanDerWaalsContact OE1-CE1 3.29Å; E153-F158 WeakPolarHBondContact OE1-CE1 3.28Å; Y155-F158 WeakPolarHBondContact O-CD2 3.28Å; Y155-F158 PolarHBondContact O-N 3.07Å; F158-P160 VanDerWaalsContact O-CD 3.3Å; F158-P160 WeakPolarHBondContact O-CD 3.41Å; F158-P160 VanDerWaalsContact O-N 3.09Å
159N51.1Low61.7Low94 Ų9491.4 Ų91.450%0.50346%0.462SS..  trans-54.1114.3173.4177.54.4000111.2N157 D161 V162N157-N159 PolarHBondContact O-N 2.87Å; N157-N159 VanDerWaalsContact O-N 3.16Å; N159-D161 PolarHBondContact O-N 3.47Å; N159-D161 VanDerWaalsContact O-N 3.17Å; N159-D161 WeakPolarHBondContact OD1-CB 3.41Å; N159-D161 PolarHBondContact OD1-N 3.44Å; N159-D161 VanDerWaalsContact OD1-N 3.07Å; N159-V162 HydrophobicContact CB-CG2 4.34Å; N159-V162 WeakPolarHBondContact O-CB 3.19Å; N159-V162 PolarHBondContact O-N 3.08Å
160P54.7Low59.4Low78 Ų7893.8 Ų93.851%0.50649%0.487SS..Hα-helixtrans-65.8-20.4-175.326.4-35000113.2F158 V162 M163 H164F158-P160 VanDerWaalsContact O-CD 3.3Å; F158-P160 WeakPolarHBondContact O-CD 3.41Å; F158-P160 VanDerWaalsContact O-N 3.09Å; P160-V162 PolarHBondContact O-N 3.48Å; P160-M163 CarbonylContact O-C 3.55Å; P160-M163 WeakPolarHBondContact O-CA 3.11Å; P160-M163 WeakPolarHBondContact O-CB 3.3Å; P160-M163 PolarHBondContact O-N 3.38Å; P160-H164 PolarHBondContact O-CD2 2.84Å; P160-H164 PolarHBondContact O-N 3Å
161D47Very low57.3Low96 Ų9694.9 Ų94.951%0.51350%0.497SS..Hα-helixtrans-63.8-22.9174.6-163.625.7000112.4N159 R168N159-D161 PolarHBondContact O-N 3.47Å; N159-D161 VanDerWaalsContact O-N 3.17Å; N159-D161 WeakPolarHBondContact OD1-CB 3.41Å; N159-D161 PolarHBondContact OD1-N 3.44Å; N159-D161 VanDerWaalsContact OD1-N 3.07Å; D161-R168 IonicContact OD1-NH2 2.61Å
162V56.6Low54.8Low54 Ų5494 Ų9433%0.32751%0.51SS..Hα-helixtrans-80.1-36.9169.9-171.70000111.4N159 P160 H164 K165 F166N159-V162 HydrophobicContact CB-CG2 4.34Å; N159-V162 WeakPolarHBondContact O-CB 3.19Å; N159-V162 PolarHBondContact O-N 3.08Å; P160-V162 PolarHBondContact O-N 3.48Å; V162-H164 VanDerWaalsContact C-N 3.28Å; V162-H164 PolarHBondContact O-N 3.2Å; V162-K165 WeakPolarHBondContact O-CB 3.44Å; V162-K165 PolarHBondContact O-N 2.77Å; V162-F166 HydrophobicContact CG1-CE2 4.07Å; V162-F166 WeakPolarHBondContact O-CD2 3.45Å; V162-F166 PolarHBondContact O-N 2.82Å
163M55.3Low52.6Low73 Ų7398.5 Ų98.536%0.3651%0.514SS..Hα-helixtrans-60.8-39.3170.2-75.8173.56300111.2P160 K165 F166 Q167P160-M163 CarbonylContact O-C 3.55Å; P160-M163 WeakPolarHBondContact O-CA 3.11Å; P160-M163 WeakPolarHBondContact O-CB 3.3Å; P160-M163 PolarHBondContact O-N 3.38Å; M163-K165 PolarHBondContact O-N 2.62Å; M163-K165 VanDerWaalsContact O-N 3.1Å; M163-F166 PolarHBondContact O-N 2.91Å; M163-Q167 WeakPolarHBondContact O-CG 3.26Å; M163-Q167 PolarHBondContact O-N 2.94Å
164H55Low50.7Low88 Ų88102.9 Ų102.941%0.40754%0.54SS..Hα-helixtrans-61.7-15.9172.8-67.5-42.5000113.7P160 V162 Q167 R168P160-H164 PolarHBondContact O-CD2 2.84Å; P160-H164 PolarHBondContact O-N 3Å; V162-H164 VanDerWaalsContact C-N 3.28Å; V162-H164 PolarHBondContact O-N 3.2Å; H164-Q167 PolarHBondContact ND1-OE1 3.19Å; H164-R168 VanDerWaalsContact O-CB 3.3Å; H164-R168 WeakPolarHBondContact O-CB 3.42Å; H164-R168 VanDerWaalsContact O-CG 3.26Å; H164-R168 WeakPolarHBondContact O-CG 3.26Å; H164-R168 PolarHBondContact O-N 3.14Å; H164-R168 PolarHBondContact O-NE 3.01Å
165K52.5Low49.6Very low144 Ų144104.6 Ų104.663%0.62655%0.552SS**Hα-helixtrans-79.3-37.4168.8-86.2167.4168.5-81.10112.8V162 M163 R168V162-K165 WeakPolarHBondContact O-CB 3.44Å; V162-K165 PolarHBondContact O-N 2.77Å; M163-K165 PolarHBondContact O-N 2.62Å; M163-K165 VanDerWaalsContact O-N 3.1Å; K165-R168 PolarHBondContact O-N 3.37Å
166F51.9Low48.6Very low86 Ų86106 Ų10638%0.37757%0.569SS.*Hα-helixtrans-75.4-38.3175.5-68.3-77000112.2L85 V162 M163 R168 T169L85-F166 HydrophobicContact CD2-CD1 4.07Å; L85-F166 HydrophobicContact CD2-CE1 3.6Å; L85-F166 HydrophobicContact CD2-CZ 4.05Å; V162-F166 HydrophobicContact CG1-CE2 4.07Å; V162-F166 WeakPolarHBondContact O-CD2 3.45Å; V162-F166 PolarHBondContact O-N 2.82Å; M163-F166 PolarHBondContact O-N 2.91Å; F166-R168 VanDerWaalsContact C-N 3.27Å; F166-R168 PolarHBondContact O-N 3.17Å; F166-T169 PolarHBondContact O-N 2.91Å; F166-T169 VanDerWaalsContact O-N 3.11Å; F166-T169 PolarHBondContact O-OG1 3.18Å
167Q47.8Very low47.5Very low70 Ų70103.5 Ų103.533%0.32756%0.563SS.*Hα-helixtrans-61.5-34.8170.1-66.8167.3-200111.7M163 H164 T169 G170 V171M163-Q167 WeakPolarHBondContact O-CG 3.26Å; M163-Q167 PolarHBondContact O-N 2.94Å; H164-Q167 PolarHBondContact ND1-OE1 3.19Å; Q167-T169 PolarHBondContact O-N 2.83Å; Q167-T169 VanDerWaalsContact O-N 3.14Å; Q167-G170 PolarHBondContact O-N 3.18Å; Q167-V171 HydrophobicContact CB-CG2 4.19Å; Q167-V171 WeakPolarHBondContact O-CG2 3.3Å; Q167-V171 PolarHBondContact O-N 2.9Å
168R43.4Very low46.6Very low156 Ų156102.3 Ų102.359%0.58957%0.565SS**THydrogen-bonded Turntrans-62.1-16.9175-94.6176.9-86.6-151.2-4.2114.1D161 H164 K165 F166D161-R168 IonicContact OD1-NH2 2.61Å; H164-R168 VanDerWaalsContact O-CB 3.3Å; H164-R168 WeakPolarHBondContact O-CB 3.42Å; H164-R168 VanDerWaalsContact O-CG 3.26Å; H164-R168 WeakPolarHBondContact O-CG 3.26Å; H164-R168 PolarHBondContact O-N 3.14Å; H164-R168 PolarHBondContact O-NE 3.01Å; K165-R168 PolarHBondContact O-N 3.37Å; F166-R168 VanDerWaalsContact C-N 3.27Å; F166-R168 PolarHBondContact O-N 3.17Å
169T45.9Very low45.6Very low124 Ų124105.7 Ų105.776%0.76159%0.593SS**THydrogen-bonded Turntrans-92.2-11.617132.60000115F166 Q167F166-T169 PolarHBondContact O-N 2.91Å; F166-T169 VanDerWaalsContact O-N 3.11Å; F166-T169 PolarHBondContact O-OG1 3.18Å; Q167-T169 PolarHBondContact O-N 2.83Å; Q167-T169 VanDerWaalsContact O-N 3.14Å
170G44.4Very low45Very low50 Ų50105.6 Ų105.652%0.51560%0.599SS.*THydrogen-bonded Turntrans-114.3-34-177.800000115.9Q167Q167-G170 PolarHBondContact O-N 3.18Å
171V48.5Very low44.4Very low83 Ų83107.5 Ų107.550%0.50361%0.606SS.*SBendtrans-103.4-1.5-160.7-169.30000113.6Q58 Q167 R173Q58-V171 HydrophobicContact CG-CG2 4.47Å; Q167-V171 HydrophobicContact CB-CG2 4.19Å; Q167-V171 WeakPolarHBondContact O-CG2 3.3Å; Q167-V171 PolarHBondContact O-N 2.9Å; V171-R173 VanDerWaalsContact C-N 3.26Å; V171-R173 PolarHBondContact O-N 3.44Å
172A39.5Very low44Very low91 Ų91111.7 Ų111.775%0.75262%0.619SS**THydrogen-bonded Turntrans-79.146-169.100000115.4
173R41Very low43Very low181 Ų181113.9 Ų113.968%0.68364%0.637SS**THydrogen-bonded Turntrans-142-23.4-178.7-142.2176.4178.785.66.7119.5V171V171-R173 VanDerWaalsContact C-N 3.26Å; V171-R173 PolarHBondContact O-N 3.44Å
174D38.1Very low42.1Very low145 Ų145115.4 Ų115.478%0.77566%0.655SS**SBendtrans-124.1141.1-175.5-72-71.6000113.8
175S41.2Very low41.3Very low110 Ų110115.1 Ų115.177%0.76966%0.663SS**  trans54.473.3162-60.10000119.4S177S175-S177 PolarHBondContact O-N 3.13Å
176L37Very low40.8Very low181 Ų181118.1 Ų118.195%0.94867%0.67SS**  trans-7194.5143.4-77.9174.5000109.4
177S35.3Very low40.3Very low104 Ų104122.7 Ų122.773%0.72769%0.692SS**  trans-160.8136168-79.70000112.4S175S175-S177 PolarHBondContact O-N 3.13Å
178S36.2Very low39.9Very low108 Ų108124.9 Ų124.976%0.75572%0.715SS**  trans46.3108.7154.7-88.10000119.2
179S35.1Very low39.9Very low104 Ų104126.8 Ų126.873%0.72773%0.728SS**  75.4137.980.874.10000112.8
180S38.2Very low39.7Very low91 Ų91127.9 Ų127.964%0.63673%0.734SS**  cis-155.9-168.7834.10000108
181D42.3Very low39.6Very low119 Ų119131.3 Ų131.364%0.63675%0.745SS**  cis-165.215133.1-97.4-59.6000111.9
182F38.8Very low39.3Very low184 Ų184132.3 Ų132.381%0.80776%0.762SS**  trans61.6153.3147.8-78.2-125.7000120.5
183S35.5Very low39.5Very low100 Ų100137.4 Ų137.470%0.69977%0.767SS**  cis-169.1131.2-25.6-107.10000111.6
184S36.8Very low39.7Very low104 Ų104135.2 Ų135.273%0.72777%0.774SS**  trans165.8114.1144.7-172.40000107.5
185S37.4Very low39.9Very low82 Ų82134.1 Ų134.157%0.57378%0.775SS**  67.4129.969.4106.40000113
186R43.6Very low39.4Very low208 Ų208134.7 Ų134.779%0.78578%0.779SS**  cis-136.5171.96.1-70.5101.2-167-98.70.5111.6
187H39.8Very low39.7Very low182 Ų182131 Ų13184%0.84377%0.766SS**  trans60.9153.6157.773.838.4000118.9
188S39.6Very low39.8Very low116 Ų116136 Ų13681%0.81177%0.77SS**  cis-139.7164.36.2-165.60000111.7
189K43.1Very low39.7Very low195 Ų195136.3 Ų136.385%0.84877%0.773SS**  trans-98.1124.8-175.4-59.4172.7-177.2174.20111.7
190V42.2Very low39.9Very low147 Ų147136 Ų13689%0.89177%0.77SS**  trans-135.4136.6150.4-1780000108.1
191T41.9Very low39.6Very low122 Ų122136.6 Ų136.675%0.74877%0.774SS**  trans-125.6120-172.9-57.90000110.7
192A43.7Very low39.4Very low104 Ų104138 Ų13886%0.8678%0.782SS**  trans-143.1135.1164.700000108.7
193K43Very low39.3Very low198 Ų198133.8 Ų133.886%0.86178%0.775SS**  trans-104.2135-175.2-61.1176.3-179.3178.40110.4
194T45.4Very low39.6Very low136 Ų136136.8 Ų136.883%0.83478%0.783SS**  trans-125.9143.9154.749.30000109.1
195P42.5Very low39.7Very low122 Ų122137.3 Ų137.379%0.79278%0.777SS**  trans-90.8148.5-16334.6-36000114.1
196S29.8Very low39.7Very low122 Ų122139 Ų13985%0.85379%0.789SS**  trans-79.5143.8169.6-45.30000112.3
197P43.5Very low39.7Very low102 Ų102137.9 Ų137.966%0.66280%0.795SS**  trans-132.1120.9155.334.6-19.6000112.8
198Y37.6Very low39.7Very low210 Ų210136 Ų13682%0.82479%0.791SS**  trans60.9123170.1-50.8-78.6000117.5
199S33.9Very low39.6Very low115 Ų115134.7 Ų134.780%0.80478%0.782SS**  cis63.772.3-2.6-168.30000118.4
200S39.1Very low39.6Very low96 Ų96132.3 Ų132.367%0.67178%0.784SS**  trans-172.9114.914250.90000108.7
201S32.4Very low39.5Very low104 Ų104128 Ų12873%0.72777%0.769SS**  78.185.966.2-600000114.3
202N38Very low39.8Very low149 Ų149129.6 Ų129.680%0.79777%0.77SS**  trans-163.8114.8148.9-119.2-4.9000108
203S36.4Very low39.5Very low96 Ų96130.2 Ų130.267%0.67176%0.759SS**  cis77.562.524-41.30000115.2
204L41.9Very low39.3Very low163 Ų163130.6 Ų130.685%0.85376%0.756SS**  trans-130.245.7160.1-73.9-179.8000112.8
205N38Very low39.2Very low115 Ų115128.7 Ų128.762%0.61574%0.744SS**SBendtrans-89.1160.7141.1-90.967.4000108
206S37.8Very low39.3Very low118 Ų118132.8 Ų132.883%0.82574%0.744SS**  trans62.475.4172.4-53.30000115.5
207M43.8Very low39.9Very low184 Ų184133.5 Ų133.591%0.90674%0.743SS**  trans-120.756.9143.5-157.6-167.179.900109.9
208D40.7Very low39.9Very low141 Ų141133.6 Ų133.675%0.75474%0.744SS**  trans-92.1122.5165.6-145.1-33.1000109.1
209S36.3Very low40.3Very low89 Ų89130.5 Ų130.562%0.62275%0.747SS**SBendtrans43.9130.6150.6-56.60000121.7
210T44.5Very low40.8Very low146 Ų146130.6 Ų130.690%0.89674%0.742SS**  trans74146.6175.777.10000115.7
211G40Very low41.5Very low55 Ų55132.1 Ų132.157%0.56775%0.747SS**  cis125.3126-10.900000113.9
212M47.3Very low42.4Very low156 Ų156132.7 Ų132.777%0.76875%0.748SS**  trans85.9112-176.4-42.3-38.3140.800113.1
213N37.8Very low42.8Very low118 Ų118131.6 Ų131.663%0.63175%0.75SS**  64.9121.283.1-57.4-40.4000111
214Y39.2Very low43.4Very low205 Ų205131.4 Ų131.480%0.80475%0.754SS**  -170.9172.664-71.8-67.9000108.9
215T42.7Very low44Very low96 Ų96133.6 Ų133.659%0.58976%0.756SS**  cis-171.5151.7-14.8-950000109.3
216R44.8Very low44.7Very low209 Ų209135 Ų13579%0.78977%0.769SS**  trans68.1155.9174.2-75.5164.4-175.6-101.5-0.1115.6
217T42.9Very low45.6Very low136 Ų136137.4 Ų137.483%0.83477%0.772SS**  cis-116.6161.41148.90000114.6
218P43.5Very low46.3Very low104 Ų104132.6 Ų132.668%0.67576%0.761SS**  trans-111.5149.8179.539.1-31000115
219V44.2Very low47.2Very low146 Ų146131.3 Ų131.389%0.88576%0.761SS**  trans177.3132.3147.6160.30000106
220V46.1Very low48.4Very low116 Ų116132.5 Ų132.570%0.70377%0.766SS**  cis-177.3122.5-25.9125.70000105.8
221V52.7Low49.2Very low129 Ų129131.4 Ų131.478%0.78276%0.761SS**  trans65.2156.4153.1175.40000117.8
222P52Low49.8Very low115 Ų115140.2 Ų140.275%0.74778%0.777SS**  cis-113.4171.4-4.4177000115.6
223P46.2Very low50.4Low127 Ų127142.2 Ų142.283%0.82578%0.782SS**  trans-100.8142.4-171.537-33000115.6
224A49.8Very low51.2Low92 Ų92146.2 Ų146.276%0.7679%0.794SS**  trans-138.7100.6171.600000113.8V226A224-V226 PolarHBondContact O-N 3.12Å
225K53.6Low51.9Low208 Ų208147.7 Ų147.790%0.90480%0.798SS**  trans41.770.6148.1-59.2175.9-177173.30117.6L227K225-L227 PolarHBondContact O-N 2.97Å
226V52.7Low52.9Low146 Ų146149.5 Ų149.589%0.88581%0.809SS**PPolyproline II helixtrans-65.1116.9163.7178.90000109.9A224 A228A224-V226 PolarHBondContact O-N 3.12Å; V226-A228 PolarHBondContact O-N 3.26Å
227L56.6Low53.6Low168 Ų168143.2 Ų143.288%0.8880%0.801SS**PPolyproline II helixtrans-70.6120.4172.5-91149.7000110.2K225K225-L227 PolarHBondContact O-N 2.97Å
228A58.4Low54.8Low82 Ų82142.6 Ų142.668%0.67880%0.8SS**PPolyproline II helixtrans-69.4139.5-177.700000112V226V226-A228 PolarHBondContact O-N 3.26Å
229P60.5Low56.2Low115 Ų115148.5 Ų148.575%0.74781%0.809SS**PPolyproline II helixtrans-56.3139.6171.2-25.434.7000111.6
230P61.7Low57.1Low113 Ų113146.5 Ų146.573%0.73480%0.799SS**PPolyproline II helixtrans-55.6134.2-177.9-27.935.1000112.3R232P230-R232 PolarHBondContact O-N 2.91Å
231P61.7Low58.2Low123 Ų123147 Ų14780%0.79981%0.805SS**  trans-66.896.7-176.225.9-34.2000110.7K233P231-K233 PolarHBondContact O-N 2.88Å
232R52.3Low58.4Low241 Ų241144.7 Ų144.791%0.90979%0.794SS**  trans-57.799173.4-77.7-179.4169.4155.7-3.3109P230 K234P230-R232 PolarHBondContact O-N 2.91Å; R232-K234 PolarHBondContact O-N 3.21Å
233K58.9Low58.4Low197 Ų197148.3 Ų148.386%0.85780%0.801SS**  trans-54.1103176.6-72.2177.7178.81720109P231 R235P231-K233 PolarHBondContact O-N 2.88Å; K233-R235 VanDerWaalsContact C-N 3.28Å; K233-R235 PolarHBondContact O-N 2.94Å
234K55.3Low58.9Low203 Ų203148.5 Ų148.588%0.88380%0.799SS**  trans-6193.9168.5-74.9-170.5177-176.50107.7R232 T236R232-K234 PolarHBondContact O-N 3.21Å; K234-T236 PolarHBondContact O-N 2.96Å
235R53.2Low58.7Low235 Ų235149.4 Ų149.489%0.88780%0.799SS**  trans-65101167.5-67.4-179.373.3166.73105.9K233 A237K233-R235 VanDerWaalsContact C-N 3.28Å; K233-R235 PolarHBondContact O-N 2.94Å; R235-A237 PolarHBondContact O-N 3.43Å
236T65Low58.3Low134 Ų134146.2 Ų146.282%0.82279%0.79SS**PPolyproline II helixtrans-48125173.5-52.60000108.3K234K234-T236 PolarHBondContact O-N 2.96Å
237A59.4Low58.1Low77 Ų77144.2 Ų144.264%0.63678%0.781SS**PPolyproline II helixtrans-54.2137.1177.500000109R235 R239R235-A237 PolarHBondContact O-N 3.43Å; A237-R239 PolarHBondContact O-N 3.5Å; A237-R239 VanDerWaalsContact O-N 3.1Å
238P66.6Low57.5Low124 Ų124145.4 Ų145.481%0.80578%0.781SS**PPolyproline II helixtrans-55.8123.417923.4-32.7000108.5
239R74.4Confident56.8Low227 Ų227150 Ų15086%0.85779%0.789SS**PPolyproline II helixtrans-55.7129.4-178.3-169176.6-171.9167.61.5107.7A237A237-R239 PolarHBondContact O-N 3.5Å; A237-R239 VanDerWaalsContact O-N 3.1Å
240P61.4Low56.1Low104 Ų104149.6 Ų149.668%0.67579%0.789SS**PPolyproline II helixtrans-56.2141179.224-34000109.2S242P240-S242 PolarHBondContact O-N 3.39Å
241P69.6Low55.2Low128 Ų128150.5 Ų150.583%0.83179%0.792SS**  trans-59.5110.9-176.823.8-33.3000109.2
242S56.9Low54.8Low79 Ų79149.7 Ų149.755%0.55279%0.787SS**  trans-63.6139.1175.247.50000109.3P240 V244P240-S242 PolarHBondContact O-N 3.39Å; S242-V244 PolarHBondContact O-N 3.05Å
243Q52.4Low54.2Low191 Ų191146.2 Ų146.289%0.89379%0.786SS**SBendtrans-7133-179.4-62.3174.6-94.100113.6
244V56.6Low53.7Low131 Ų131144 Ų14479%0.79478%0.782SS**  trans-115.728-177.8-159.30000109.7S242S242-V244 PolarHBondContact O-N 3.05Å
245C45.2Very low53.1Low111 Ų111140.5 Ų140.575%0.7578%0.78SS**  trans-140.734.3174-1650000110.9
246I45.8Very low52.2Low141 Ų141134.3 Ų134.372%0.72378%0.779SS**SBendtrans-87.1117.4143-61175000103.7E248I246-E248 PolarHBondContact O-N 3.19Å; I246-E248 VanDerWaalsContact O-N 3.14Å
247P47.9Very low51.1Low105 Ų105132.6 Ų132.668%0.68278%0.779SS**  trans-65.1113171.2-18.832.4000108.6Q249P247-Q249 VanDerWaalsContact C-N 3.33Å; P247-Q249 PolarHBondContact O-N 3.45Å
248E45.3Very low50Low192 Ų192136.3 Ų136.390%0.89779%0.788SS**  trans-66.999.1161.6-68.9-172.6144.900106.8I246 S250I246-E248 PolarHBondContact O-N 3.19Å; I246-E248 VanDerWaalsContact O-N 3.14Å; E248-S250 VanDerWaalsContact C-N 3.28Å; E248-S250 PolarHBondContact O-N 2.99Å
249Q42.8Very low49Very low179 Ų179135 Ų13584%0.83678%0.781SS**  trans-7093.4168.1-79.5-170.8-3000108P247 V251P247-Q249 VanDerWaalsContact C-N 3.33Å; P247-Q249 PolarHBondContact O-N 3.45Å; Q249-V251 PolarHBondContact O-N 2.95Å
250S46.8Very low47.6Very low107 Ų107134 Ų13475%0.74878%0.783SS**  trans-53.2109.6165.252.50000109.2E248 P252E248-S250 VanDerWaalsContact C-N 3.28Å; E248-S250 PolarHBondContact O-N 2.99Å; S250-P252 WeakPolarHBondContact O-CD 3.45Å
251V42.6Very low46.8Very low131 Ų131135.4 Ų135.479%0.79480%0.796SS**PPolyproline II helixtrans-65.7124.2172.11780000107.9Q249Q249-V251 PolarHBondContact O-N 2.95Å
252P52.2Low45.4Very low106 Ų106138.2 Ų138.269%0.68880%0.798SS**PPolyproline II helixtrans-74.4130.4176.3-16.231.6000111.5S250S250-P252 WeakPolarHBondContact O-CD 3.45Å
253D39.6Very low44.7Very low168 Ų168140.4 Ų140.490%0.89881%0.81SS**PPolyproline II helixtrans-71.9127.5169-80.6-56000111.1
254I49.4Very low44.2Very low151 Ų151136.1 Ų136.177%0.77481%0.807SS**  trans-139.5129.4166.7-57.8-177.6000107.6
255P41.9Very low43.2Very low129 Ų129140.5 Ų140.584%0.83881%0.811SS**  trans-73.8153.1-171.929.3-35.8000113.8
256A34.9Very low43.1Very low105 Ų105139.5 Ų139.587%0.86881%0.811SS**  trans-95.9144.4-171.900000114.3
257A40.6Very low42.7Very low98 Ų98138.5 Ų138.581%0.8181%0.811SS**  trans-145.785.3174.300000114.3
258N38.2Very low42.5Very low155 Ų155140.6 Ų140.683%0.82982%0.815SS**  trans64.1155.2143-150.511.2000122.5
259S45.3Very low42.4Very low96 Ų96138 Ų13867%0.67181%0.812SS**  trans56.3119.7170.142.20000118.2
260K43.3Very low42.6Very low206 Ų206138.2 Ų138.290%0.89681%0.81SS**  cis78.791.846.6-69.3-169.5173-173.90115.9
261S46.6Very low42.4Very low135 Ų135143.6 Ų143.694%0.94481%0.814SS**  trans-162.9175.3145.354.40000110.4
262E38.4Very low43Very low187 Ų187143.6 Ų143.687%0.87482%0.817SS**  trans-118.9152.2-153.2-162.1163.2136.800112.8
263P43.7Very low42.3Very low124 Ų124145.6 Ų145.681%0.80582%0.817SS**  trans-94.2157.1-162.136.2-36.1000115.6
264A41.9Very low42.4Very low101 Ų101144.5 Ų144.584%0.83581%0.81SS**  trans-112.3136.3169.200000111.7
265Y35.5Very low41.9Very low224 Ų224143 Ų14388%0.87881%0.812SS**  trans-81.3129.7178.7-118.4-109.5000111.2
266A42.4Very low41.5Very low90 Ų90144.7 Ų144.774%0.74481%0.811SS**  trans-138.1126.1167.600000110.6
267V37.2Very low41.9Very low120 Ų120145.6 Ų145.673%0.72781%0.81SS**  trans-88.8120.1-176.1175.70000110.2V269V267-V269 HydrophobicContact CG1-CG2 4.14Å
268I44.3Very low42Very low148 Ų148145.5 Ų145.576%0.75980%0.8SS**  trans-128.3102.1167.3-57.5-177.9000109.3K270I268-K270 HydrophobicContact CG2-CB 4.49Å
269V43.2Very low42.6Very low138 Ų138144.3 Ų144.384%0.83680%0.801SS**  trans-82.8116.1169.3-178.20000107.9V267V267-V269 HydrophobicContact CG1-CG2 4.14Å
270K47.7Very low42.2Very low184 Ų184146.2 Ų146.280%0.880%0.803SS**  trans-125.4112.9-178.8-157.2158.6-173.3171.60112.1I268I268-K270 HydrophobicContact CG2-CB 4.49Å
271R40.8Very low42.4Very low219 Ų219145.2 Ų145.283%0.82681%0.807SS**  trans-60.4137.1171-75.9-179.8167.1108.9-6.8110.7
272P56.4Low42Very low132 Ų132144.3 Ų144.386%0.85780%0.801SS**  trans-69.8134.9142-9.727.5000108.6
273Q37.2Very low42.4Very low147 Ų147138.9 Ų138.969%0.68780%0.795SS**  trans-141.5147.2177.8-150.2-159.24.100108.9
274L41.3Very low42.1Very low145 Ų145138.5 Ų138.576%0.75979%0.793SS**  trans65.8144.5169-54.3170.8000114.7
275C38.6Very low42.1Very low119 Ų119141 Ų14180%0.80479%0.791SS**  cis-130.5161.57.9-77.60000111.6
276M35Very low42.1Very low166 Ų166137.7 Ų137.782%0.81878%0.783SS**  trans-109158.4159.8-67-162.474.400110.4
277S41.6Very low42.3Very low123 Ų123140.9 Ų140.986%0.8679%0.787SS**  trans-152.395.4165.4-65.90000110
278T42.5Very low42.5Very low97 Ų97142.2 Ų142.260%0.59579%0.79SS**PPolyproline II helixtrans-92.8144.7166.844.20000109.8
279P51.3Low42.1Very low129 Ų129140 Ų14084%0.83879%0.787SS**PPolyproline II helixtrans-73.5129.1161.131-30.8000109.3
280N37.6Very low41.7Very low136 Ų136141.3 Ų141.373%0.72779%0.789SS**PPolyproline II helixtrans-85.1140.2172.6-75.4-56.9000110.6
281L46.3Very low41.1Very low185 Ų185136.3 Ų136.397%0.96979%0.79SS**  trans-136.4109.7148-75.7-179.8000107.8
282S39.7Very low40.7Very low117 Ų117134.2 Ų134.282%0.81880%0.795SS**  trans-121.4120-179.854.70000109.7
283G45.2Very low39.7Very low73 Ų73130.9 Ų130.975%0.75379%0.785SS**  trans-139.9131.5172.500000109.2
284P38.6Very low39.6Very low116 Ų116128.7 Ų128.775%0.75379%0.786SS**  trans-101.3-179.7-172.640.6-37000113.7
285L41.3Very low39.5Very low152 Ų152131.3 Ų131.380%0.79679%0.791SS**  trans65.9161.6-176.8-77.878.6000114.8
286E35.8Very low39.4Very low155 Ų155130.5 Ų130.572%0.72479%0.787SS**  cis-175.1-179.6-33.3-173.6156.1-167.500105.4
287L47.3Very low39.8Very low157 Ų157127.7 Ų127.782%0.82278%0.781SS**  trans71.2102.9176.4-52.3167.3000113.2
288D40.1Very low39.5Very low148 Ų148128.1 Ų128.179%0.79177%0.774SS**  95.2170.154.8-166.133.8000112
289C35.7Very low39.6Very low102 Ų102132 Ų13269%0.68979%0.785SS**  trans-104.2153-141.4-59.30000115.4
290N35Very low39Very low165 Ų165131.8 Ų131.888%0.88278%0.777SS**  trans52.585.1136-176.469.7000117.5
291G35.2Very low39.4Very low79 Ų79129.3 Ų129.381%0.81477%0.77SS**  trans-147.1107.7171.100000113.8
292N33.6Very low39.2Very low175 Ų175126 Ų12694%0.93676%0.757SS**  trans-85.1116167.4175.328000109
293G35.9Very low39.4Very low63 Ų63127.1 Ų127.165%0.64975%0.754SS**  trans-160.649.4-161.200000118.2
294S35.2Very low39.3Very low101 Ų101126.4 Ų126.471%0.70675%0.747SS**  trans37.5131.9145.168.30000122.9
295K37.9Very low39.6Very low200 Ų200128.1 Ų128.187%0.8775%0.745SS**  trans95.8136.6155.1-59-176.6179-179.90119.2
296S36.9Very low39.1Very low102 Ų102130.7 Ų130.771%0.71375%0.745SS**  trans-62.1165.4155.955.60000111.1
297P43.8Very low39.4Very low106 Ų106127.3 Ų127.369%0.68874%0.744SS**  cis-142.3164.643.839.7-19.4000118.7
298D35.9Very low38.8Very low133 Ų133125.9 Ų125.971%0.71174%0.742SS**  38.5155.9126.9-41.6-27.6000122.4
299E43.3Very low39Very low177 Ų177126.6 Ų126.683%0.82775%0.745SS**  trans64.5154.5173.5-41.6-55.772.400117.7
300D39.5Very low39.1Very low126 Ų126128.7 Ų128.767%0.67475%0.749SS**  cis-173.9156.2-34.8175.741.3000106.5
301S44.9Very low39.5Very low83 Ų83129.2 Ų129.258%0.5875%0.751SS**  trans60.4164.9156.9-77.30000119.9
302T43.2Very low39.6Very low115 Ų115134.5 Ų134.571%0.70675%0.751SS**  cis-164.7160.2-37.330.30000107.5
303D42.7Very low40.6Very low141 Ų141131 Ų13175%0.75474%0.738SS**  trans61151.7162.5-80.5-4.2000118.1
304G44.7Very low41.1Very low58 Ų58133.2 Ų133.260%0.59874%0.742SS**  cis-150.9-163.4-6.800000109.5
305H42.9Very low41.6Very low152 Ų152136.3 Ų136.370%0.70475%0.748SS**  cis-155.5152.19.9-82.8-80.4000110.7
306Y32.6Very low41.9Very low206 Ų206131.4 Ų131.481%0.80875%0.745SS**  trans20.5145.5138.2-57.4-101.2000120.2
307A40.8Very low42Very low85 Ų85130.1 Ų130.170%0.70275%0.748SS**  cis-155157.87.100000108.2
308T34.7Very low42Very low126 Ų126128.9 Ų128.977%0.77375%0.754SS**  58.582.957.9-51.80000116.2
309L45.3Very low42.5Very low164 Ų164128.4 Ų128.486%0.85976%0.759SS**  trans-157.7120.2142.8-71.2-172.5000104.5
310D36.2Very low42.3Very low145 Ų145127.1 Ų127.178%0.77575%0.753SS**  cis62.799.746-127.6-15.5000113.7
311L44.6Very low42.8Very low176 Ų176127 Ų12792%0.92176%0.759SS**  trans-176.5157.8142.6-99.4163.3000113.7
312K37.2Very low43Very low190 Ų190127.3 Ų127.383%0.82676%0.758SS**  trans-88.2149.2-162-165.978.5168-170.50114.3
313P53.9Low43.2Very low101 Ų101127.8 Ų127.866%0.65676%0.762SS**  trans-105.7168.917940.4-36.7000115.5
314P47.3Very low43.2Very low111 Ų111131.5 Ų131.572%0.72177%0.766SS**  trans-99.2139.6145.82.419.1000110.8
315I46.1Very low42.9Very low165 Ų165138.5 Ų138.585%0.84678%0.78SS**  64.9120.573.3-58.5164.3000110.9
316A43.5Very low43Very low97 Ų97142.4 Ų142.480%0.80279%0.788SS**  cis-153179.27.200000110
317G38.4Very low43.2Very low76 Ų76139.8 Ų139.878%0.78479%0.787SS**  cis160.9114.6-12.700000115
318G43.8Very low43.4Very low79 Ų79142.8 Ų142.881%0.81479%0.791SS**  trans78.8174.916400000118
319P47.9Very low43.8Very low124 Ų124144.9 Ų144.981%0.80579%0.792SS**  cis-125.1173.9-3.541-26.9000116.1
320E39Very low43.8Very low149 Ų149144.7 Ų144.770%0.69679%0.79SS**  trans-80.4140.9179.9169.8-167174.100114.3T322E320-T322 WeakPolarHBondContact OE1-CB 3.42Å; E320-T322 PolarHBondContact OE1-OG1 2.92Å
321P50.2Low44.2Very low125 Ų125146.9 Ų146.981%0.81279%0.793SS**  trans-99.680166.636.3-31.6000113.1P323P321-P323 WeakPolarHBondContact O-CD 3.48Å
322T48Very low44.1Very low89 Ų89148.1 Ų148.155%0.54679%0.791SS.*  trans-99.9118.5169.8-88.90000111.9E320 R324E320-T322 WeakPolarHBondContact OE1-CB 3.42Å; E320-T322 PolarHBondContact OE1-OG1 2.92Å; T322-R324 HydrophobicContact CG2-CB 3.98Å
323P46.7Very low44.4Very low124 Ų124148.3 Ų148.381%0.80579%0.791SS**  trans-119.173.2154.434.9-24.7000111.4P321P321-P323 WeakPolarHBondContact O-CD 3.48Å
324R43.5Very low43.8Very low220 Ų220149.7 Ų149.783%0.8380%0.798SS**  16.1118.5113.2-161.7171-170.3158.21.1115.7T322 R326T322-R324 HydrophobicContact CG2-CB 3.98Å; R324-R326 PolarHBondContact O-N 2.98Å
325K38.7Very low43.7Very low204 Ų204148.4 Ų148.489%0.88780%0.797SS**  trans-46.9124.4-178.4-58.6170.1-176.3170.50114.5
326R44.5Very low43.7Very low234 Ų234146 Ų14688%0.88379%0.792SS**  trans-110.3116.4142.3-56.9173.599.3152.42.4104.2R324R324-R326 PolarHBondContact O-N 2.98Å
327L37.2Very low44Very low151 Ų151145.5 Ų145.579%0.79179%0.788SS**  cis56.946.447.4-149.983.6000113.4
328L45.1Very low44.4Very low149 Ų149147.7 Ų147.778%0.7879%0.789SS**  trans-97.1112.9157-76173.9000109.6I330L328-I330 PolarHBondContact O-N 3.02Å; L328-I330 VanDerWaalsContact O-N 3.16Å
329Q43.7Very low45.2Very low169 Ų169149.3 Ų149.379%0.7979%0.785SS**  trans-78.389.9172.6-62.4177.17.700108.7K331Q329-K331 PolarHBondContact O-N 3.14Å
330I44Very low45.2Very low160 Ų160149 Ų14982%0.82178%0.783SS**  trans-75.578.1177.5-41.7-179.1000109.8L328 K332L328-I330 PolarHBondContact O-N 3.02Å; L328-I330 VanDerWaalsContact O-N 3.16Å; I330-K332 VanDerWaalsContact C-N 3.26Å; I330-K332 PolarHBondContact O-N 2.82Å
331K44.2Very low45.2Very low191 Ų191148.2 Ų148.283%0.8378%0.783SS**  trans-69.974.5176.1-175.1-176.2177.6-176.30109.8Q329 K333Q329-K331 PolarHBondContact O-N 3.14Å; K331-K333 PolarHBondContact O-N 3.28Å
332K42.5Very low44.9Very low203 Ų203150.9 Ų150.988%0.88378%0.782SS**PPolyproline II helixtrans-62.8129.9176.3-162.8166.6-174.8174.90109.2I330I330-K332 VanDerWaalsContact C-N 3.26Å; I330-K332 PolarHBondContact O-N 2.82Å
333K44.4Very low45Very low193 Ų193154.3 Ų154.384%0.83979%0.792SS**PPolyproline II helixtrans-63.4134.2-160.4-64178.9177.7179.20113K331K331-K333 PolarHBondContact O-N 3.28Å
334T40.8Very low44.7Very low131 Ų131154.6 Ų154.680%0.80480%0.797SS**PPolyproline II helixtrans-65.4133.7142.1-61.20000107.3
335A45Very low44.5Very low84 Ų84147.8 Ų147.869%0.69480%0.796SS**PPolyproline II helixtrans-74.1133.3178.200000111
336P45.6Very low44.8Very low114 Ų114141.3 Ų141.374%0.7479%0.786SS**PPolyproline II helixtrans-71.5167.5145.234.1-31.7000109.8
337A50.5Low44.9Very low87 Ų87136.7 Ų136.772%0.71978%0.779SS**PPolyproline II helixtrans-58.5157.2179.200000113.2
338P46.6Very low45.2Very low122 Ų122135.6 Ų135.679%0.79277%0.774SS**PPolyproline II helixtrans-65.6140.2-178.927-35.6000112.5
339P60.9Low45.7Very low113 Ų113136 Ų13673%0.73478%0.775SS**PPolyproline II helixtrans-74.3160.7160.134.5-34000110.7
340P49Very low45.8Very low118 Ų118132.4 Ų132.477%0.76677%0.769SS**  trans-73.3179.1172.333.3-36.5000112.6
341D37.7Very low45.5Very low131 Ų131132.9 Ų132.970%0.70177%0.772SS**  trans-65.2-178.1-169.3-55.1-92.4000116.9
342F44.5Very low45.4Very low181 Ų181128.2 Ų128.279%0.79477%0.769SS**  trans77.5147.4169.7-45.7-71.9000116.5
343Q49.1Very low45.4Very low162 Ų162124.4 Ų124.476%0.75777%0.768SS**  cis-167.2142.6-30.9-119.9176.518.500107.2
344S41.3Very low45.3Very low129 Ų129122.9 Ų122.990%0.90277%0.769SS**  trans59.9163.5175-60.90000115.7
345G40.2Very low45.5Very low78 Ų78122.3 Ų122.380%0.80477%0.767SS**  cis149.9137-7.800000110.4
346G43.9Very low45.3Very low67 Ų67126.6 Ų126.669%0.69177%0.773SS**  trans111.195.8170.400000117.4
347D47.3Very low45.2Very low137 Ų137126.2 Ų126.273%0.73377%0.771SS**  63113103.6-72.945.7000123.4
348N43.7Very low45Very low128 Ų128128.7 Ų128.768%0.68478%0.776SS**  104.9140.1113.5-67.2-13.8000124.5
349I54.2Low44.4Very low157 Ų157128.8 Ų128.881%0.80578%0.775SS**  trans77123.3147.858.9163.1000126.1
350S47.2Very low43.5Very low95 Ų95129 Ų12966%0.66478%0.776SS**  81.2101.6128.5-64.80000124.5
351L37.4Very low42.9Very low169 Ų169129.3 Ų129.389%0.88578%0.776SS**  34.6128112-56.8172.6000120.9
352A41.7Very low43.1Very low93 Ų93128.7 Ų128.777%0.76978%0.779SS**  -179.1137.7122.700000116.2
353S41.7Very low43Very low123 Ų123126.6 Ų126.686%0.8678%0.776SS**  trans71.2141140-60.30000126.2
354L44.2Very low42.9Very low162 Ų162125.8 Ų125.885%0.84878%0.776SS**  trans-74.3-177.7164.7-111.966.5000112
355P44.6Very low42.9Very low118 Ų118125.7 Ų125.777%0.76677%0.772SS**  cis-142.2-17725.841.4-19.9000118.9
356E39.2Very low43Very low174 Ų174130.6 Ų130.681%0.81377%0.774SS**  trans-77.4-175.1163.4-67.3-168.6141.500111.5
357P44.7Very low42.9Very low107 Ų107133.2 Ų133.270%0.69578%0.779SS**  cis-151.3-159.422.836.3-7.9000118.9
358V45.4Very low42.6Very low138 Ų138130.8 Ų130.884%0.83678%0.778SS**  trans87.9137.4159.8-54.10000124
359T34.9Very low42.6Very low125 Ų125129.8 Ų129.877%0.76778%0.778SS**  trans-92.2-175.9171.723.40000111.6
360P40.9Very low41.8Very low118 Ų118132.5 Ų132.577%0.76678%0.779SS**  cis-142-160.919.742.5-19.4000117.9
361T37.5Very low41.4Very low123 Ų123135 Ų13576%0.75578%0.783SS**  trans-67.1-179.6176.333.20000115.8
362P42.1Very low41.5Very low119 Ų119132.7 Ų132.777%0.77378%0.776SS**  cis-136.1-162.9539.5-18.3000116.2
363N42.4Very low41.6Very low136 Ų136133.8 Ų133.873%0.72777%0.773SS**  trans129.7110.4135.7-15229.1000120.2
364I47Very low41.9Very low146 Ų146133.6 Ų133.675%0.74977%0.769SS**  trans24.1132135.9-58.8177.5000119.3
365P41.8Very low42Very low127 Ų127133.4 Ų133.483%0.82577%0.768SS**  -151.7-176.770.940-17.3000121
366Q41Very low41.8Very low180 Ų180132.8 Ų132.884%0.84176%0.764SS**  trans-64.4177.4179.2-106.9-178.1-800116
367P41.3Very low41.8Very low123 Ų123131.9 Ų131.980%0.79976%0.763SS**  cis-140.1-169.234.840.8-18.6000118.4
368A42.2Very low41.5Very low85 Ų85131.4 Ų131.470%0.70277%0.768SS**  trans-109-156.3-172.300000111.9
369P43.9Very low41.4Very low108 Ų108129.7 Ų129.770%0.70176%0.76SS**  cis-150.8-178.216.247.3-26.2000120.6
370R37.6Very low41.5Very low214 Ų214129.8 Ų129.881%0.80876%0.76SS**  trans80.1127142.6-84.8170.2-179.1-176.70.7124.5
371I38.2Very low41.4Very low147 Ų147128.2 Ų128.275%0.75476%0.757SS**  72.7141.6130-69.6170.2000118.9
372T38.8Very low41.3Very low120 Ų120129.6 Ų129.674%0.73676%0.76SS**  cis-164160.2-21.4-171.60000110.4
373T44Very low41.6Very low116 Ų116129.7 Ų129.771%0.71276%0.761SS**  trans-82.6164162.3-30.20000110.7
374P47.2Very low41.6Very low119 Ų119128 Ų12877%0.77376%0.757SS**  -141.6130.5121.634.6-20.3000115.5
375L46.9Very low41Very low159 Ų159128.9 Ų128.983%0.83276%0.762SS**  trans-73.3164.4140.2-79.6144.2000108.2
376P40.3Very low40.6Very low105 Ų105126.6 Ų126.668%0.68275%0.754SS**  -155.3166.2105.739.6-22000117.7
377I39.9Very low40.1Very low155 Ų155126.8 Ų126.880%0.79576%0.755SS**  trans68.3106149.7-67154.5000118.5
378A37.7Very low39.8Very low96 Ų96127.4 Ų127.479%0.79376%0.756SS**  trans-95.8158.413800000108.4
379P44Very low39.3Very low103 Ų103131 Ų13167%0.66976%0.764SS**  -146.3168119.540.9-27.3000110.9
380T36.3Very low38.9Very low127 Ų127129.5 Ų129.578%0.77977%0.767SS**  cis171.5162.9-6.1340000105.7
381A39.3Very low38.3Very low84 Ų84127.6 Ų127.669%0.69477%0.773SS**  trans66.2126.4165.200000117.2
382N35.6Very low37.9Very low153 Ų153123.8 Ų123.882%0.81877%0.771SS**  cis70145.143.2-58.7-7.3000113.6
383P48Very low37.3Very low121 Ų121126.4 Ų126.479%0.78678%0.78SS**  -123.2-134.7-64.131.9-10.3000106.7
384P42.8Very low36.7Very low100 Ų100124 Ų12465%0.64978%0.779SS**  cis-136.8179.7-21.141.3-23.4000116.3
385L34.2Very low36Very low165 Ų165123.8 Ų123.886%0.86478%0.78SS**  trans66.9165.2143.8-81.5162.4000121.9
386A33.9Very low35.8Very low79 Ų79120.9 Ų120.965%0.65377%0.771SS**  trans59.2110.9174.300000116.8
387Q30.9Very low35.4Very low183 Ų183123 Ų12386%0.85578%0.776SS**  77.7150.263.2-72.1-179-42.400114.7
388V34.8Very low35.2Very low136 Ų136119.2 Ų119.282%0.82478%0.775SS**  trans68.7101.8179-170.20000112.9
389N31.1Very low34.8Very low162 Ų162121.2 Ų121.287%0.86677%0.772SS**  cis68.885.549.3-162.757.3000113.6
390G34.9Very low34Very low75 Ų75122.8 Ų122.877%0.77378%0.78SS**  trans-174.1136.8176.400000112.4
391N26Very low33.8Very low174 Ų174122 Ų12293%0.9378%0.78SS**  trans-65.6149.6-172.5-64.2-18.6000114.7
392G28.8Very low33.7Very low68 Ų68127 Ų12770%0.70179%0.786SS**  111.5123127.100000119.2
393N27Very low34Very low174 Ų174125.2 Ų125.293%0.9378%0.78SS**  trans37.893.2145.6-61.7-3.5000119.6
394G30.2Very low34Very low66 Ų66126.2 Ų126.268%0.6878%0.778SS**  trans177119.1164.200000109.6
395S32.9Very low34.3Very low115 Ų115127.4 Ų127.480%0.80478%0.778SS**  cis-23.6125.28.6-162.60000116.8
396P43.3Very low34.7Very low98 Ų98124.1 Ų124.164%0.63676%0.761SS**  cis-69.7163.515.633-39.8000113.8
397N32.6Very low35.3Very low150 Ų150129.8 Ų129.880%0.80277%0.766SS**  cis-131.4162.823.8-75.6-82.5000113.9
398G34.8Very low35.6Very low74 Ų74127.2 Ų127.276%0.76376%0.763SS**  trans-16633.5-175.500000116.8
399N29.1Very low36Very low139 Ų139125.6 Ų125.674%0.74376%0.755SS**  trans41.598.7156.4-60.92.7000120.8
400V26.8Very low36.7Very low136 Ų136123.8 Ų123.882%0.82475%0.75SS**  trans47.3137.5141.3-67.40000123.2
401S32.1Very low37.2Very low111 Ų111126 Ų12678%0.77675%0.751SS**  trans75.9125.4162.3-55.90000117.1
402K38.7Very low38.1Very low189 Ų189125.9 Ų125.982%0.82275%0.745SS**  cis-126.9145.3-3.7-64.4-169.4176.3-176.50107.9
403V42Very low39Very low115 Ų115126.1 Ų126.170%0.69773%0.734SS**  39110.181.3-162.50000109.7
404L47.6Very low39.7Very low141 Ų141128.4 Ų128.474%0.73873%0.729SS**  -144.8144.267.9-70.6147.8000111.7
405L49.3Very low40Very low125 Ų125129.5 Ų129.565%0.65473%0.727SS**  36.7141.1121.2-41179000118.6
406N43Very low40.3Very low96 Ų96132.1 Ų132.151%0.51373%0.731SS.*  cis-174.9153.4-5.5-111.8-13.8000109.4
407R45.1Very low39.7Very low199 Ų199131 Ų13175%0.75174%0.736SS**  40.6120.2129.7-53.7168-173.8158.7-0.1120.3
408T38Very low40.1Very low128 Ų128129 Ų12979%0.78574%0.735SS**  55.9138.6109.8-38.90000119.7
409P42.6Very low40.3Very low103 Ų103129.3 Ų129.367%0.66973%0.73SS**  cis-135.7-163.9-3342.6-25.3000112.6
410T45Very low41.1Very low124 Ų124127.5 Ų127.576%0.76172%0.724SS**  trans-18.8134.5153.8-470000117.1
411P46.3Very low42Very low121 Ų121128.5 Ų128.579%0.78672%0.72SS**  -130.7118.2118.835.2-26.7000114.1
412E44.2Very low43Very low172 Ų172130 Ų13080%0.80472%0.719SS**  -64.6157.4127.4-117.1-166.2-138.800107.1
413P48.1Very low43.8Very low72 Ų72127.3 Ų127.347%0.46871%0.714SS.*  cis-153.3-158.142.139.2-15.3000114.2
414R41.5Very low44.4Very low222 Ų222128.9 Ų128.984%0.83872%0.718SS**  trans64.6157142.9-81.8178.5-172.594.71.7118.2
415S37.7Very low44.7Very low89 Ų89127.7 Ų127.762%0.62271%0.713SS**  cis-170.6152.4-24-123.60000107.7
416L38.7Very low44.9Very low171 Ų171128.3 Ų128.390%0.89572%0.717SS**  trans65.6162.3166.4-53.5163.6000114
417G31.6Very low45.4Very low73 Ų73129 Ų12975%0.75373%0.725SS**  cis12067.6-2.900000113
418S41.1Very low45.7Very low110 Ų110123.7 Ų123.777%0.76972%0.723SS**  trans-147.7146.8163.278.70000107.2
419A38.2Very low46.5Very low80 Ų80122.2 Ų122.266%0.66172%0.718SS**  cis66.3137.133.600000111.7
420T44.9Very low47Very low101 Ų101125.8 Ų125.862%0.6272%0.723SS**  cis-154.7-173.6-10.74.70000106.6
421E46.7Very low47.2Very low156 Ų156128.1 Ų128.173%0.72973%0.725SS**  trans52.4159.4158.762.1-107.4131.600118.6
422D53.6Low47.4Very low142 Ų142126.6 Ų126.676%0.75972%0.723SS**  cis-123.8142.38.2-62.9-72.5000108.6
423D53.9Low47.5Very low134 Ų134125.7 Ų125.772%0.71772%0.724SS**  79170.381.6-150.46.1000114
424D56.2Low47.3Very low147 Ų147127.7 Ų127.779%0.78674%0.739SS**  trans7682.4-163.2-75.5-29.2000115.4
425N52.3Low47.5Very low117 Ų117120.3 Ų120.363%0.62673%0.733SS**  81.8102.575.3-72-56.8000114.5
426D54.7Low48Very low138 Ų138124.7 Ų124.774%0.73875%0.747SS**  57.9116.1113.8-143.725.2000117
427T52.7Low48.4Very low111 Ų111119.5 Ų119.568%0.68174%0.735SS**  -168.2155.364.832.60000112.9
428A52.5Low49.3Very low87 Ų87125.3 Ų125.372%0.71974%0.742SS**  trans65.8141.6150.100000119.5
429S54.4Low49.7Very low97 Ų97126.1 Ų126.168%0.67875%0.745SS**  cis-166.4157-7.4-110.10000111.8
430K52.9Low50.1Low178 Ų178126.5 Ų126.577%0.77475%0.748SS**  trans36.1129.3139.1-45.4-71.1177.6176.90117.3
431Q48.7Very low50.2Low172 Ų172127.1 Ų127.180%0.80475%0.754SS**  cis-161.2148.223.3-115.4151.9-4000108.2
432A51.6Low49.7Very low90 Ų90125.2 Ų125.274%0.74476%0.758SS**  57.6141.6101.400000115.9
433D45.9Very low49.3Very low153 Ų153124.2 Ų124.282%0.81876%0.759SS**  cis-144.6173.38.4-153.6-7.7000112.8
434S42.8Very low48.5Very low113 Ų113122.5 Ų122.579%0.7976%0.758SS**  trans-73.3165.6-174.1-380000114.4
435G47.5Very low47.7Very low68 Ų68121.7 Ų121.770%0.70176%0.758SS**  trans128.2115.1135.100000117.3
436I46.4Very low46.9Very low181 Ų181120.9 Ų120.993%0.92876%0.761SS**  trans52.1134.5138-135.371.6000118.4
437G47.3Very low46.2Very low62 Ų62120.5 Ų120.564%0.63977%0.766SS**  cis179.1-170.90.900000108.2
438E51.1Low45.6Very low195 Ų195123.2 Ų123.291%0.91177%0.771SS**  trans-63.8156.5175-61.2-170.6120.500112.7
439P48.8Very low45.3Very low126 Ų126124.4 Ų124.482%0.81877%0.772SS**  -144.5163.5102.939-25.9000115.9
440A47.5Very low44.5Very low88 Ų88128 Ų12873%0.72778%0.778SS**  trans-90.3-166.9167.900000111.3
441P47Very low43.7Very low114 Ų114123.2 Ų123.274%0.7477%0.771SS**  -125.7165-98.136.6-20.5000116.3
442S37Very low43.1Very low116 Ų116121.7 Ų121.781%0.81176%0.764SS**  trans75.8163.9171-37.90000115.7
443P44.9Very low42.5Very low121 Ų121123.4 Ų123.479%0.78676%0.755SS**  cis-134-179-143.4-27.8000116
444S37.1Very low42.3Very low99 Ų99119.8 Ų119.869%0.69274%0.742SS**  trans70.9105.6140.8-165.20000122.8
445V38.6Very low42Very low129 Ų129119.1 Ų119.178%0.78273%0.726SS**  trans71112.1132.6-179.60000121.1
446S34.9Very low41.4Very low101 Ų101119.5 Ų119.571%0.70671%0.709SS**  38.6135.3124.6-132.60000120.8
447P39.6Very low41Very low129 Ų129117.3 Ų117.384%0.83870%0.695SS**  -144.2167.178.239.2-23.3000117.8
448E40.4Very low40.6Very low169 Ų169119.3 Ų119.379%0.7970%0.7SS**  trans-105144.7175.3176.6-162.9147.700111.1
449P47.1Very low40.1Very low112 Ų112115 Ų11573%0.72769%0.691SS**  trans-103.3120.6147.733.6-24.8000110
450E37.2Very low39.7Very low172 Ų172113.4 Ų113.480%0.80468%0.683SS**  54.7129.686.9-70.8-142150.700115.1
451A37Very low39.4Very low77 Ų77116.8 Ų116.864%0.63668%0.683SS**  cis-165.6-159.7-2.700000111.4
452E35.8Very low39.5Very low140 Ų140118.2 Ų118.265%0.65469%0.685SS**  trans95.7134.2165.5-53.6-91127.200118.1
453K39.6Very low40.2Very low127 Ų127119.3 Ų119.355%0.55268%0.682SS**  cis-170.5127.2-34.4-121.7173.1-155.2156.30111.7
454S39.8Very low40.3Very low77 Ų77120.4 Ų120.454%0.53868%0.676SS.*  trans66.1172.7161.6-46.40000115.2
455Q37.3Very low41Very low98 Ų98119.8 Ų119.846%0.45868%0.677SS.*  cis-147.6-179.212.1-58.3170.9-13.500108.9F15F15-Q455 VanDerWaalsContact N-OE1 3.12Å
456Q35.4Very low41.4Very low76 Ų76121.1 Ų121.136%0.35568%0.678SS.*  -168.4168-59.8-157.5170.2-85.900109.6G16G16-Q456 VanDerWaalsContact C-NE2 3.34Å; G16-Q456 PolarHBondContact O-NE2 3.42Å
457E37.2Very low42.4Very low135 Ų135122.8 Ų122.863%0.63167%0.673SS**  trans62.3156.4175.2-82.181.4-131.800116.3
458S39.3Very low43Very low105 Ų105122.7 Ų122.773%0.73467%0.67SS**  cis-163.4170.2-8.6-1120000111.3
459S41.7Very low43Very low103 Ų103120.8 Ų120.872%0.7266%0.656SS**  trans55.2124160.5-140.40000118.3
460S40Very low42.8Very low93 Ų93122.8 Ų122.865%0.6566%0.661SS**  cis75.2140.631910000116.1
461E41.5Very low42.9Very low159 Ų159123 Ų12374%0.74366%0.66SS**  trans63.4147.7-178-92.768.5113.600120.8
462D48Very low43.2Very low145 Ų145128.8 Ų128.878%0.77567%0.67SS**  trans61.4142.1162.2-59.6-12.8000119.8
463D52.5Low43.6Very low139 Ų139128.2 Ų128.274%0.74367%0.671SS**  cis-152171.91.6-148.8-22.7000112.9A465D463-A465 VanDerWaalsContact C-N 3.34Å; D463-A465 PolarHBondContact O-N 3.04Å
464E46.7Very low43.3Very low143 Ų143127.5 Ų127.567%0.66868%0.681SS**  trans-72.759.4-176-63-164160.400116.1K467E464-K467 IonicContact OE2-NZ 2.61Å; E464-K467 PolarHBondContact OE2-NZ 2.81Å
465A52.4Low43.1Very low87 Ų87132.7 Ų132.772%0.71970%0.696SS**THydrogen-bonded Turntrans-135.9122.4168.500000111.6D463D463-A465 VanDerWaalsContact C-N 3.34Å; D463-A465 PolarHBondContact O-N 3.04Å
466I46.9Very low43.3Very low156 Ų156134.2 Ų134.280%0.871%0.713SS**THydrogen-bonded Turncis-115.6104.636-56.5172.8000112.5V468I466-V468 VanDerWaalsContact C-N 3.34Å; I466-V468 HydrophobicContact CG2-CG2 3.75Å; I466-V468 PolarHBondContact O-N 3Å
467K56Low43.6Very low137 Ų137135.3 Ų135.360%0.59673%0.729SS**  trans-75.379.1168.5-155.5169.5-156.31570109.5E464 Y469E464-K467 IonicContact OE2-NZ 2.61Å; E464-K467 PolarHBondContact OE2-NZ 2.81Å; K467-Y469 PolarHBondContact O-N 2.99Å
468V50.6Low43.9Very low127 Ų127138.4 Ų138.477%0.7774%0.74SS**  trans-61.2111.7175.4-176.50000108I466 N470I466-V468 VanDerWaalsContact C-N 3.34Å; I466-V468 HydrophobicContact CG2-CG2 3.75Å; I466-V468 PolarHBondContact O-N 3Å; V468-N470 PolarHBondContact O-N 3.07Å
469Y41.3Very low44Very low128 Ų128142.8 Ų142.850%0.50275%0.746SS.*  trans-8286.1-153.4-158-92.7000112.2K467 F471 L473K467-Y469 PolarHBondContact O-N 2.99Å; Y469-F471 HydrophobicContact CD1-CB 4.45Å; Y469-F471 HydrophobicContact CD1-CD1 4.05Å; Y469-F471 AromaticContact CD1-CD2 3.62Å; Y469-F471 HydrophobicContact CD1-CD2 3.62Å; Y469-F471 HydrophobicContact CD1-CE1 4.17Å; Y469-F471 AromaticContact CD1-CE2 3.75Å; Y469-F471 HydrophobicContact CD1-CE2 3.75Å; Y469-F471 AromaticContact CD1-CG 3.77Å; Y469-F471 HydrophobicContact CD1-CG 3.77Å; Y469-F471 HydrophobicContact CD1-CZ 4.02Å; Y469-F471 AromaticContact CE1-CD1 3.73Å; Y469-F471 HydrophobicContact CE1-CD1 3.73Å; Y469-F471 HydrophobicContact CE1-CD2 4.17Å; Y469-F471 AromaticContact CE1-CE1 3.87Å; Y469-F471 HydrophobicContact CE1-CE1 3.87Å; Y469-F471 HydrophobicContact CE1-CE2 4.3Å; Y469-F471 AromaticContact CE1-CG 3.88Å; Y469-F471 HydrophobicContact CE1-CG 3.88Å; Y469-F471 HydrophobicContact CE1-CZ 4.15Å; Y469-F471 PolarHBondContact O-N 2.89Å; Y469-L473 VanDerWaalsContact OH-CD1 3.3Å; Y469-L473 WeakPolarHBondContact OH-CD1 3.32Å
470N42.3Very low44Very low155 Ų155143.3 Ų143.383%0.82975%0.747SS**  trans-60104.9157.3-85.3-20.9000107.9V468 K472V468-N470 PolarHBondContact O-N 3.07Å; N470-K472 PolarHBondContact O-N 2.61Å
471F40.3Very low43.8Very low177 Ų177147.1 Ų147.178%0.77676%0.755SS**  trans-59.8103.8-177.3-91.2-96.8000111.3Y469Y469-F471 HydrophobicContact CD1-CB 4.45Å; Y469-F471 HydrophobicContact CD1-CD1 4.05Å; Y469-F471 AromaticContact CD1-CD2 3.62Å; Y469-F471 HydrophobicContact CD1-CD2 3.62Å; Y469-F471 HydrophobicContact CD1-CE1 4.17Å; Y469-F471 AromaticContact CD1-CE2 3.75Å; Y469-F471 HydrophobicContact CD1-CE2 3.75Å; Y469-F471 AromaticContact CD1-CG 3.77Å; Y469-F471 HydrophobicContact CD1-CG 3.77Å; Y469-F471 HydrophobicContact CD1-CZ 4.02Å; Y469-F471 AromaticContact CE1-CD1 3.73Å; Y469-F471 HydrophobicContact CE1-CD1 3.73Å; Y469-F471 HydrophobicContact CE1-CD2 4.17Å; Y469-F471 AromaticContact CE1-CE1 3.87Å; Y469-F471 HydrophobicContact CE1-CE1 3.87Å; Y469-F471 HydrophobicContact CE1-CE2 4.3Å; Y469-F471 AromaticContact CE1-CG 3.88Å; Y469-F471 HydrophobicContact CE1-CG 3.88Å; Y469-F471 HydrophobicContact CE1-CZ 4.15Å; Y469-F471 PolarHBondContact O-N 2.89Å
472K41.9Very low43.9Very low197 Ų197144.7 Ų144.786%0.85775%0.753SS**  trans-130.780.4165.7-85.4-162.8168.8-173.30111.4N470N470-K472 PolarHBondContact O-N 2.61Å
473L44.1Very low43.4Very low128 Ų128142.4 Ų142.467%0.6775%0.748SS**  trans-94.8138.7149.2-89.170.2000106.5Y469Y469-L473 VanDerWaalsContact OH-CD1 3.3Å; Y469-L473 WeakPolarHBondContact OH-CD1 3.32Å
474C33.5Very low42.3Very low113 Ų113140.7 Ų140.776%0.76475%0.753SS**  cis-134.8171.3-1.1-84.10000110.7
475Q35.2Very low42Very low185 Ų185138.6 Ų138.686%0.86476%0.76SS**  trans-68.5148.5162.6-57.91743.500108.9
476T41.9Very low41.3Very low130 Ų130140.8 Ų140.880%0.79877%0.765SS**  -149.7127.682.937.60000115
477S42.9Very low41.1Very low99 Ų99141.6 Ų141.669%0.69277%0.77SS**  trans23.3112.1146.668.90000121.6
478K42.7Very low40.3Very low201 Ų201138.7 Ų138.787%0.87477%0.771SS**  168.1116.695.6-86.2-173.8-176179.70113.9
479K41.3Very low40Very low197 Ų197141.3 Ų141.386%0.85778%0.775SS**  trans12.4140.3140-175.6173.2-175.8170.40119.1
480P41.6Very low40Very low114 Ų114143.7 Ų143.774%0.7480%0.795SS**  cis-133.1174.62521.34.6000119.9
481E36Very low40.1Very low173 Ų173141.8 Ų141.881%0.80879%0.79SS**  trans-45.4174.2155.8-96.6-171.5107.400117.5
482P44.4Very low40.3Very low108 Ų108137.5 Ų137.570%0.70179%0.787SS**  cis-143.7169.629.344.6-26.1000120.9
483S36Very low40.2Very low96 Ų96136.4 Ų136.467%0.67179%0.79SS**  trans43.5105.4142.267.20000123.4
484A30.8Very low39.9Very low104 Ų104136.5 Ų136.586%0.8680%0.795SS**  39.4108.5120.800000121.7
485A39.1Very low39.9Very low98 Ų98134.7 Ų134.781%0.8179%0.789SS**  trans-156.7100149.600000110.8
486T38.2Very low39.9Very low134 Ų134133.7 Ų133.782%0.82278%0.784SS**  trans-158.148.1175.4-270000112.6
487L43.6Very low39.7Very low172 Ų172132.6 Ų132.690%0.90177%0.773SS**SBendtrans-144.19.4179.8-157.3114.2000114.1
488A38.7Very low39.5Very low76 Ų76134 Ų13463%0.62877%0.772SS**SBendtrans-111.2-23.3-169.800000114.9L490A488-L490 VanDerWaalsContact C-N 3.25Å; A488-L490 PolarHBondContact O-N 2.93Å; A488-L490 VanDerWaalsContact O-N 3.15Å
489E44.4Very low39.3Very low182 Ų182131.3 Ų131.385%0.8576%0.762SS**THydrogen-bonded Turntrans-73.9-5.4-168.1-64.8-178.3128.200115.4
490L41.6Very low39.1Very low178 Ų178130.3 Ų130.393%0.93276%0.761SS**THydrogen-bonded Turntrans-102.36.4-176.8-66.3177000114.7A488A488-L490 VanDerWaalsContact C-N 3.25Å; A488-L490 PolarHBondContact O-N 2.93Å; A488-L490 VanDerWaalsContact O-N 3.15Å
491T43.8Very low39Very low116 Ų116133.2 Ų133.271%0.71276%0.764SS**SBendtrans-121.7-7.8-168.9-32.20000114.5
492A44.8Very low39.2Very low87 Ų87130.3 Ų130.372%0.71976%0.755SS**  trans-101.519-165.300000115.8
493L40Very low38.8Very low174 Ų174130.8 Ų130.891%0.91175%0.751SS**SBendtrans-114.642.2178.5-71.9175.8000112.4
494T36.7Very low39Very low129 Ų129133.7 Ų133.779%0.79175%0.754SS**SBendtrans-156.2147172.2-620000108.9
495A35.2Very low39.3Very low75 Ų75133.9 Ų133.962%0.6274%0.744SS**  trans77.1119.6-173.800000113.4
496Q33.3Very low39.3Very low164 Ų164135.2 Ų135.277%0.76674%0.738SS**  78.5142.790.8-73.1-175.3-99.700112.4
497D37.6Very low39.3Very low107 Ų107136.7 Ų136.757%0.57274%0.735SS**  cis-159.115712.4-114.4-2000109.3
498I39.6Very low39.2Very low129 Ų129134.1 Ų134.166%0.66273%0.729SS**  55.913295.8-77.6172.9000113.4
499E37.8Very low39Very low145 Ų145135.5 Ų135.568%0.67874%0.74SS**  cis-164.1165.75.1-113.8162.5-169.300111.2
500E38.9Very low38.5Very low176 Ų176132.1 Ų132.182%0.82274%0.736SS**  trans45.2167.7151.5-59.6-177.7153.500120.7
501E37.7Very low38.4Very low174 Ų174131.8 Ų131.881%0.81373%0.734SS**  cis-150.8176.916.3-133.7-170.6-178.600106.7
502D40.1Very low37.9Very low113 Ų113131 Ų13160%0.60473%0.729SS**  cis-160.6179.2-4.3-16416.2000111.5
503N36.8Very low37.5Very low118 Ų118134.5 Ų134.563%0.63174%0.736SS**  trans-1.8159.1151.4-78.6-48.3000123.1
504H39.9Very low37.4Very low156 Ų156129.6 Ų129.672%0.72273%0.728SS**  cis-174.2179.1-16.6-150.833.1000106.5
505V38.2Very low37.3Very low108 Ų108130.9 Ų130.966%0.65573%0.73SS**  cis-126.9-137.77.6-1490000107.1
506D38.5Very low37.3Very low127 Ų127134.9 Ų134.968%0.67974%0.74SS**  cis-139-125.8-8.2-16014.3000111.5
507Q38.6Very low37.5Very low165 Ų165130.8 Ų130.877%0.77173%0.734SS**  trans-145.1169-144.5-87.7-175.694.200118.9
508P40.7Very low37.5Very low117 Ų117132.1 Ų132.176%0.7675%0.746SS**  trans-128.4-177.7-149.245.2-32.3000116.7
509A35.4Very low37.6Very low105 Ų105131.1 Ų131.187%0.86875%0.748SS**  trans-147.5159.1160.200000111.9
510S34Very low37.4Very low111 Ų111129 Ų12978%0.77675%0.749SS**  trans-112.7172.9-170.2-42.40000113.7
511I38.1Very low37.4Very low171 Ų171124.7 Ų124.788%0.87774%0.738SS**  trans-176.1163.4134.9-93.3152.4000111.2
512T34.7Very low37.6Very low101 Ų101125 Ų12562%0.6274%0.74SS**  trans-112.5-179.6-148.660.10000116.9
513N36.5Very low37.6Very low159 Ų159126 Ų12685%0.8575%0.75SS**  trans93139160-43-42.1000117.2
514G38.1Very low37.6Very low72 Ų72125.3 Ų125.374%0.74276%0.755SS**  cis171.1155.2-9.700000114.3
515N33.6Very low37.6Very low156 Ų156125.6 Ų125.683%0.83476%0.761SS**  trans10.8151.6159.6-64.8-0.3000121.7
516L36.4Very low37.6Very low158 Ų158125.8 Ų125.883%0.82776%0.762SS**  cis-152.6-163.925.4-151.756.4000107.6
517A36.6Very low37.5Very low78 Ų78123.8 Ų123.865%0.64576%0.758SS**  cis-161.5-166.19.700000114.1
518T36.5Very low37.6Very low135 Ų135126.3 Ų126.383%0.82876%0.761SS**  trans-159.8179.7176.1-10.90000107.3
519P42.7Very low37.6Very low108 Ų108128.2 Ų128.270%0.70177%0.765SS**  -160.5174.253.343.4-20000120.8
520S33.9Very low38.1Very low101 Ų101133.2 Ų133.271%0.70676%0.763SS**  trans60.7160.4141.368.10000121.1
521S39.5Very low38.5Very low85 Ų85134.7 Ų134.759%0.59476%0.761SS**  cis-150.8154.213.2-39.50000112.9
522E41.5Very low38.8Very low180 Ų180133.4 Ų133.484%0.84176%0.756SS**  trans58.2149.4138.5-71.9161.4-177.700121.6
523T39.4Very low39.3Very low135 Ų135133.7 Ų133.783%0.82876%0.76SS**  cis-142168.96.63.20000111.4
524S37Very low39.5Very low103 Ų103134.2 Ų134.272%0.7276%0.76SS**  trans-119.8149.4-177.4-47.50000114
525L39.9Very low39.7Very low162 Ų162135.3 Ų135.385%0.84876%0.757SS**  trans-147.1114.9146.3-68.6-179.9000106.8
526T37.5Very low41.1Very low112 Ų112132.8 Ų132.869%0.68775%0.749SS**  61.4140.863.271.30000114.2
527S37.5Very low41.7Very low85 Ų85131 Ų13159%0.59475%0.747SS**  cis-178.8136.5-20.148.60000108.2
528W39.8Very low42.4Very low218 Ų218131.7 Ų131.783%0.82675%0.745SS**  trans-158.472.9157.5-77.5117.7000111.7
529N42.2Very low42.9Very low158 Ų158132.9 Ų132.985%0.84575%0.746SS**PPolyproline II helixtrans-73.9127.8144.4-86.8-11.7000106
530Y45Very low42.8Very low210 Ų210135.5 Ų135.582%0.82475%0.747SS**PPolyproline II helixtrans-70136.1171-98.4-99.7000109.6
531L42.7Very low43.4Very low142 Ų142136.2 Ų136.274%0.74375%0.752SS**PPolyproline II helixtrans-80.1168-179.6-78.2159.9000111.9
532D44.4Very low43.5Very low143 Ų143139.7 Ų139.777%0.76576%0.764SS**  trans80.3149.7154-60.9-28.4000119.9
533P44.5Very low43.5Very low108 Ų108138.1 Ų138.170%0.70176%0.756SS**  trans-127.5150.4-143.738.9-23.1000115.3
534I40.4Very low43.6Very low169 Ų169139.2 Ų139.287%0.86775%0.752SS**  trans-131.7118.9145.6-7192000107.3
535S42.8Very low43.9Very low95 Ų95140.7 Ų140.766%0.66475%0.749SS**PPolyproline II helixtrans-82.2142.3168.4-169.60000109.5
536P62.4Low44Very low104 Ų104139.3 Ų139.368%0.67574%0.739SS**PPolyproline II helixtrans-59.5142.315229.6-33000108.4
537P49.8Very low44.2Very low120 Ų120140.8 Ų140.878%0.77974%0.735SS**PPolyproline II helixtrans-66.1146.7176.227.8-33.7000110.6
538P51.3Low44.3Very low93 Ų93146.8 Ų146.860%0.60475%0.745SS**PPolyproline II helixtrans-81.5148.6-173.132.7-35000112.3F540P538-F540 HydrophobicContact CB-CD2 3.74Å; P538-F540 HydrophobicContact CB-CE2 3.7Å; P538-F540 HydrophobicContact CB-CZ 4.44Å; P538-F540 HydrophobicContact CG-CD2 3.57Å; P538-F540 HydrophobicContact CG-CE2 3.43Å; P538-F540 VanDerWaalsContact CG-CE2 3.43Å; P538-F540 HydrophobicContact CG-CZ 4.49Å
539D47Very low44Very low160 Ų160144.2 Ų144.286%0.85675%0.747SS**PPolyproline II helixtrans-95.1129.3156.5-160.6-9000108.5
540F40.1Very low43.8Very low162 Ų162141.4 Ų141.471%0.71175%0.746SS**  trans-128.585.4-170.3-92.4-63.7000110.3P538P538-F540 HydrophobicContact CB-CD2 3.74Å; P538-F540 HydrophobicContact CB-CE2 3.7Å; P538-F540 HydrophobicContact CB-CZ 4.44Å; P538-F540 HydrophobicContact CG-CD2 3.57Å; P538-F540 HydrophobicContact CG-CE2 3.43Å; P538-F540 VanDerWaalsContact CG-CE2 3.43Å; P538-F540 HydrophobicContact CG-CZ 4.49Å
541S45.9Very low43.4Very low117 Ų117134.6 Ų134.682%0.81874%0.74SS**  trans-162.7130.1158.9-75.70000108.2
542D42.9Very low43.1Very low157 Ų157133 Ų13384%0.8474%0.74SS**  cis-139.3163-1.8-158.4-5.5000110.1
543Q41.6Very low43.1Very low147 Ų147134.5 Ų134.569%0.68775%0.748SS**  trans-109174.1-179-75.4-167.123.400112.7
544Q41.3Very low42.9Very low158 Ų158134.3 Ų134.374%0.73875%0.749SS**  trans95.6132160.5-55.1-171.54300115
545M43.4Very low43.2Very low134 Ų134132.2 Ų132.266%0.6675%0.747SS**  cis-139.2153.36.1-82.1-150.5-17900113.9
546Q42.8Very low43.6Very low134 Ų134130.6 Ų130.663%0.62675%0.745SS**  trans37.1133.6135.2-56.3-17927.800119.6
547K40.8Very low43.5Very low143 Ų143129.7 Ų129.762%0.62274%0.741SS**  cis-167.5159.138.6-113.6137.1-179.1159.20111.1
548R38.5Very low44.4Very low210 Ų210128.1 Ų128.179%0.79273%0.731SS**  trans16.2143.3137.7-47.5170.5-165.2151.80.9118.1
549N35.4Very low45.4Very low164 Ų164129.8 Ų129.888%0.87773%0.734SS**  cis-159.1-173.521.5-137.13.7000112.3
550A38.1Very low46.7Very low99 Ų99127.6 Ų127.682%0.81872%0.722SS**  trans-102.9164.5-172.400000115.8
551G35.6Very low48.5Very low68 Ų68126.9 Ų126.970%0.70172%0.721SS**  trans127.990.9138.900000120.4
552S36.3Very low50.1Low107 Ų107125.5 Ų125.575%0.74870%0.704SS**  trans39.6122.513761.10000123.8
553L44Very low52.1Low175 Ų175122.2 Ų122.292%0.91669%0.689SS**  trans73.7125.5135.8-64.3168.5000121.6
554S40.1Very low54.1Low104 Ų104120.6 Ų120.673%0.72769%0.685SS**  trans-46.5149.6171.7-165.90000115.8
555P47.5Very low56Low126 Ų126119.1 Ų119.182%0.81868%0.678SS**  -114.417284.4-6.426.6000115.2
556G50.1Low57.6Low61 Ų61117 Ų11763%0.62967%0.669SS**  trans-75.3168.2-175.900000115.8
557S60.9Low59.4Low85 Ų85112.5 Ų112.559%0.59465%0.654SS**  trans-104154.1-177.1-810000112.8L559 D560S557-L559 PolarHBondContact O-N 2.94Å; S557-D560 PolarHBondContact O-N 2.98Å; S557-D560 VanDerWaalsContact O-N 3.08Å
558P69.3Low61.3Low86 Ų86109.2 Ų109.256%0.55865%0.647SS**Hα-helixtrans-64.4-6.1-173.425.5-36000115.6I562P558-I562 WeakPolarHBondContact O-CD1 3.21Å; P558-I562 VanDerWaalsContact O-CG1 3.3Å; P558-I562 WeakPolarHBondContact O-CG1 3.35Å; P558-I562 PolarHBondContact O-N 3.27Å
559L71.1Confident63Low128 Ų128102.5 Ų102.567%0.6763%0.626SS**Hα-helixtrans-72.4-33.7170.3-89.480.6000112.8S557 E561 I562 V563S557-L559 PolarHBondContact O-N 2.94Å; L559-E561 VanDerWaalsContact C-N 3.3Å; L559-E561 PolarHBondContact O-N 2.77Å; L559-I562 PolarHBondContact O-N 3.36Å; L559-V563 WeakPolarHBondContact O-CB 3.5Å; L559-V563 VanDerWaalsContact O-CG2 3.3Å; L559-V563 WeakPolarHBondContact O-CG2 3.27Å; L559-V563 PolarHBondContact O-N 3.26Å
560D75.3Confident64.7Low114 Ų114100.6 Ų100.661%0.6161%0.614SS**Hα-helixtrans-64.2-39.9175.8-85-15.4000110.4S557 I562 V563 D564S557-D560 PolarHBondContact O-N 2.98Å; S557-D560 VanDerWaalsContact O-N 3.08Å; D560-I562 PolarHBondContact O-N 2.91Å; D560-V563 PolarHBondContact O-N 3.08Å; D560-V563 VanDerWaalsContact O-N 3.16Å; D560-D564 PolarHBondContact O-N 3.05Å
561E78.2Confident66.1Low147 Ų147102.7 Ų102.769%0.68761%0.612SS**Hα-helixtrans-65-38.3177.3-164.2165.3-141.800111.6L559 E565L559-E561 VanDerWaalsContact C-N 3.3Å; L559-E561 PolarHBondContact O-N 2.77Å; E561-E565 PolarHBondContact O-N 3.45Å
562I78.9Confident67.7Low89 Ų89106.5 Ų106.546%0.45661%0.611SS.*Hα-helixtrans-67.9-36.9171.7-67.3164.6000111.6P558 L559 D560 L566P558-I562 WeakPolarHBondContact O-CD1 3.21Å; P558-I562 VanDerWaalsContact O-CG1 3.3Å; P558-I562 WeakPolarHBondContact O-CG1 3.35Å; P558-I562 PolarHBondContact O-N 3.27Å; L559-I562 PolarHBondContact O-N 3.36Å; D560-I562 PolarHBondContact O-N 2.91Å; I562-L566 HydrophobicContact CG2-CD1 3.98Å; I562-L566 HydrophobicContact CG2-CG 4.43Å; I562-L566 WeakPolarHBondContact O-CB 3.48Å; I562-L566 VanDerWaalsContact O-CG 3.23Å; I562-L566 WeakPolarHBondContact O-CG 3.34Å; I562-L566 PolarHBondContact O-N 3.12Å
563V84.1Confident68.9Low87 Ų87108 Ų10853%0.52761%0.606SS.*Hα-helixtrans-69-39.8177.1168.10000111.2L559 D560 L566 A567L559-V563 WeakPolarHBondContact O-CB 3.5Å; L559-V563 VanDerWaalsContact O-CG2 3.3Å; L559-V563 WeakPolarHBondContact O-CG2 3.27Å; L559-V563 PolarHBondContact O-N 3.26Å; D560-V563 PolarHBondContact O-N 3.08Å; D560-V563 VanDerWaalsContact O-N 3.16Å; V563-L566 PolarHBondContact O-N 3.06Å; V563-A567 WeakPolarHBondContact O-CB 3.41Å; V563-A567 PolarHBondContact O-N 3.32Å
564D83.5Confident69.2Low113 Ų113109 Ų10960%0.60460%0.598SS**Hα-helixtrans-70.6-35.7173.8-92.8-11.7000112.4D560 T568D560-D564 PolarHBondContact O-N 3.05Å; D564-T568 VanDerWaalsContact O-CB 3.28Å; D564-T568 WeakPolarHBondContact O-CB 3.41Å; D564-T568 PolarHBondContact O-N 3.23Å; D564-T568 PolarHBondContact O-OG1 3.31Å
565E82.5Confident69.7Low127 Ų127110.5 Ų110.559%0.59360%0.597SS**Hα-helixtrans-61.3-46.5167.9-83.1-151.114200111.1E561 T568 I569E561-E565 PolarHBondContact O-N 3.45Å; E565-T568 CarbonylContact O-C 3.59Å; E565-T568 WeakPolarHBondContact O-CB 3.22Å; E565-T568 PolarHBondContact O-N 2.61Å; E565-I569 WeakPolarHBondContact O-CB 3.47Å; E565-I569 WeakPolarHBondContact O-CD1 3.28Å; E565-I569 WeakPolarHBondContact O-CG1 3.48Å; E565-I569 PolarHBondContact O-N 3.26Å
566L77.6Confident70Confident90 Ų90111.6 Ų111.647%0.47160%0.596SS.*Hα-helixtrans-65-40.9178.4-74.2170.7000112.1I562 V563 T568 I569 I570I562-L566 HydrophobicContact CG2-CD1 3.98Å; I562-L566 HydrophobicContact CG2-CG 4.43Å; I562-L566 WeakPolarHBondContact O-CB 3.48Å; I562-L566 VanDerWaalsContact O-CG 3.23Å; I562-L566 WeakPolarHBondContact O-CG 3.34Å; I562-L566 PolarHBondContact O-N 3.12Å; V563-L566 PolarHBondContact O-N 3.06Å; L566-T568 VanDerWaalsContact C-N 3.31Å; L566-T568 PolarHBondContact O-N 3.39Å; L566-I569 PolarHBondContact O-N 3.4Å; L566-I570 WeakPolarHBondContact O-CB 3.47Å; L566-I570 WeakPolarHBondContact O-CD1 3.37Å; L566-I570 VanDerWaalsContact O-CG1 3.23Å; L566-I570 WeakPolarHBondContact O-CG1 3.29Å; L566-I570 PolarHBondContact O-N 3.37Å
567A78.9Confident70.1Confident39 Ų39113.4 Ų113.432%0.32260%0.595SS.*Hα-helixtrans-62.2-39.7172.800000111.3V563 N571V563-A567 WeakPolarHBondContact O-CB 3.41Å; V563-A567 PolarHBondContact O-N 3.32Å; A567-N571 PolarHBondContact O-N 3.15Å; A567-N571 VanDerWaalsContact O-N 3.13Å; A567-N571 PolarHBondContact O-ND2 3.47Å
568T81.1Confident69.4Low75 Ų75116.7 Ų116.746%0.4661%0.605SS.*Hα-helixtrans-65.1-45.8174-600000111.1D564 E565 L566 I570 N571 Q572D564-T568 VanDerWaalsContact O-CB 3.28Å; D564-T568 WeakPolarHBondContact O-CB 3.41Å; D564-T568 PolarHBondContact O-N 3.23Å; D564-T568 PolarHBondContact O-OG1 3.31Å; E565-T568 CarbonylContact O-C 3.59Å; E565-T568 WeakPolarHBondContact O-CB 3.22Å; E565-T568 PolarHBondContact O-N 2.61Å; L566-T568 VanDerWaalsContact C-N 3.31Å; L566-T568 PolarHBondContact O-N 3.39Å; T568-I570 PolarHBondContact O-N 2.94Å; T568-N571 PolarHBondContact O-N 3.31Å; T568-Q572 WeakPolarHBondContact O-CB 3.38Å; T568-Q572 PolarHBondContact O-N 3.05Å
569I74.8Confident68.6Low69 Ų69120 Ų12035%0.35462%0.616SS.*Hα-helixtrans-60.4-45.2177.9-74.4162.7000111.2E565 L566 N571 Q572 Q573E565-I569 WeakPolarHBondContact O-CB 3.47Å; E565-I569 WeakPolarHBondContact O-CD1 3.28Å; E565-I569 WeakPolarHBondContact O-CG1 3.48Å; E565-I569 PolarHBondContact O-N 3.26Å; L566-I569 PolarHBondContact O-N 3.4Å; I569-N571 VanDerWaalsContact C-N 3.34Å; I569-N571 PolarHBondContact O-N 3.1Å; I569-Q572 PolarHBondContact O-N 3.26Å; I569-Q572 VanDerWaalsContact O-N 3.12Å; I569-Q573 HydrophobicContact CG2-CG 4.18Å; I569-Q573 WeakPolarHBondContact O-CB 3.41Å; I569-Q573 WeakPolarHBondContact O-CG 3.26Å; I569-Q573 PolarHBondContact O-N 2.98Å
570I70.4Confident67.2Low124 Ų124122.6 Ų122.664%0.63662%0.622SS**Hα-helixtrans-61-43177.2-71.5163.9000111L566 T568 Q572L566-I570 WeakPolarHBondContact O-CB 3.47Å; L566-I570 WeakPolarHBondContact O-CD1 3.37Å; L566-I570 VanDerWaalsContact O-CG1 3.23Å; L566-I570 WeakPolarHBondContact O-CG1 3.29Å; L566-I570 PolarHBondContact O-N 3.37Å; T568-I570 PolarHBondContact O-N 2.94Å; I570-Q572 VanDerWaalsContact C-N 3.31Å; I570-Q572 PolarHBondContact O-N 3.25Å
571N67Low65.9Low142 Ų142126.5 Ų126.576%0.75963%0.634SS**Hα-helixtrans-72-20.7176.1-76.4-66.1000113.7A567 T568 I569A567-N571 PolarHBondContact O-N 3.15Å; A567-N571 VanDerWaalsContact O-N 3.13Å; A567-N571 PolarHBondContact O-ND2 3.47Å; T568-N571 PolarHBondContact O-N 3.31Å; I569-N571 VanDerWaalsContact C-N 3.34Å; I569-N571 PolarHBondContact O-N 3.1Å
572Q69.2Low64.2Low148 Ų148127.8 Ų127.869%0.69264%0.64SS**Hα-helixtrans-102.4-17.5-174.7-149.6161.4115.300113.4T568 I569 I570T568-Q572 WeakPolarHBondContact O-CB 3.38Å; T568-Q572 PolarHBondContact O-N 3.05Å; I569-Q572 PolarHBondContact O-N 3.26Å; I569-Q572 VanDerWaalsContact O-N 3.12Å; I570-Q572 VanDerWaalsContact C-N 3.31Å; I570-Q572 PolarHBondContact O-N 3.25Å
573Q62.4Low62.5Low139 Ų139129 Ų12965%0.6565%0.653SS**SBendtrans-103.249.1-177.9-63-164.516.200115.3I569 L575I569-Q573 HydrophobicContact CG2-CG 4.18Å; I569-Q573 WeakPolarHBondContact O-CB 3.41Å; I569-Q573 WeakPolarHBondContact O-CG 3.26Å; I569-Q573 PolarHBondContact O-N 2.98Å; Q573-L575 PolarHBondContact O-N 2.67Å; Q573-L575 VanDerWaalsContact O-N 3.15Å
574R49.6Very low60.7Low197 Ų197130.9 Ų130.974%0.74366%0.66SS**  trans61.928.7137.8-65.4-174.1172.2176.8-1.8120.1D576 T577R574-D576 PolarHBondContact O-N 3.11Å; R574-D576 VanDerWaalsContact O-N 3.16Å; R574-T577 WeakPolarHBondContact O-CB 3.41Å; R574-T577 PolarHBondContact O-N 3.47Å; R574-T577 VanDerWaalsContact O-N 3.09Å; R574-T577 PolarHBondContact O-OG1 3.26Å
575L51.7Low58.6Low134 Ų134131.3 Ų131.370%0.70267%0.67SS**G310 helixtrans-59.5-24170.5-84.2169.9000113.7Q573 T577 L578Q573-L575 PolarHBondContact O-N 2.67Å; Q573-L575 VanDerWaalsContact O-N 3.15Å; L575-T577 PolarHBondContact O-N 2.78Å; L575-L578 PolarHBondContact O-N 3.29Å
576D52.8Low56.6Low150 Ų150133.1 Ų133.180%0.80268%0.678SS**G310 helixtrans-56.5-13.6171.7-63.6-52.8000115.2R574R574-D576 PolarHBondContact O-N 3.11Å; R574-D576 VanDerWaalsContact O-N 3.16Å
577T52.8Low54.9Low99 Ų99136.1 Ų136.161%0.60769%0.691SS**G310 helixtrans-85.9-18.4-177.1-35.80000112.8R574 L575R574-T577 WeakPolarHBondContact O-CB 3.41Å; R574-T577 PolarHBondContact O-N 3.47Å; R574-T577 VanDerWaalsContact O-N 3.09Å; R574-T577 PolarHBondContact O-OG1 3.26Å; L575-T577 PolarHBondContact O-N 2.78Å
578L47.1Very low53.5Low153 Ų153140.8 Ų140.880%0.80172%0.716SS**THydrogen-bonded Turntrans-103.9-25.2-168.1-146.573.4000115L575 K580L575-L578 PolarHBondContact O-N 3.29Å; L578-K580 PolarHBondContact O-N 2.77Å
579I52.2Low52Low155 Ų155145.1 Ų145.180%0.79573%0.731SS**SBendtrans-78.3-1.8178.7-59.1176.8000111.5K581I579-K581 VanDerWaalsContact C-N 3.35Å; I579-K581 PolarHBondContact O-N 3.38Å
580K40.5Very low50.4Low183 Ų183148 Ų14880%0.79675%0.746SS**  trans-82.166.6-173.3-156.9165.1-171.3167.40113.5L578L578-K580 PolarHBondContact O-N 2.77Å
581K48.2Very low49.4Very low196 Ų196149.8 Ų149.885%0.85275%0.751SS**  trans-117.3118.1164.7-85.9-168.2172.8-176.50112.5I579I579-K581 VanDerWaalsContact C-N 3.35Å; I579-K581 PolarHBondContact O-N 3.38Å
582Q43.4Very low48.3Very low175 Ų175147.9 Ų147.982%0.81875%0.749SS**  trans-46.3137.8176.3171.6-175.5-14.400115.1
583P43.7Very low46.9Very low113 Ų113145 Ų14573%0.73475%0.751SS**  -133.2133.8129.635.9-25.4000115
584D44.3Very low46.5Very low127 Ų127146.2 Ų146.268%0.67975%0.754SS**  trans38.5117.1150.6-55.9-16.8000123.8Q586D584-Q586 PolarHBondContact O-N 3.39Å
585P41.2Very low46.5Very low123 Ų123142.9 Ų142.980%0.79976%0.758SS**THydrogen-bonded Turntrans-92.159.3178.339.5-37000113.7
586Q40.4Very low46Very low165 Ų165144 Ų14477%0.77176%0.764SS**THydrogen-bonded Turntrans-134.1-5.9175.1-77-163.3-25.800116.6D584D584-Q586 PolarHBondContact O-N 3.39Å
587M41.3Very low45.8Very low152 Ų152148.3 Ų148.375%0.74977%0.769SS**THydrogen-bonded Turntrans-86.8-2.9-178.1-68.4-89.868.300115.1I590M587-I590 HydrophobicContact CE-CD1 4.48Å
588V49.1Very low45.5Very low138 Ų138150.1 Ų150.184%0.83678%0.775SS**THydrogen-bonded Turntrans-81.5-19.8-174-179.70000113.2
589E49.9Very low45.7Very low165 Ų165146.8 Ų146.877%0.77177%0.769SS**SBendtrans-88.1-20.9-167.5-161.3163.2-170.300114.2S592E589-S592 PolarHBondContact O-OG 2.87Å; E589-S592 VanDerWaalsContact O-OG 3.06Å
590I41Very low45.3Very low130 Ų130145.5 Ų145.567%0.66776%0.764SS**SBendtrans-107.4-16.1-160.9-35.6-177.7000114.4M587M587-I590 HydrophobicContact CE-CD1 4.48Å
591E49Very low45.7Very low162 Ų162146.7 Ų146.776%0.75777%0.77SS**SBendtrans-900.4176.5-140.8-168.4153.500114.2A593 K594E591-A593 PolarHBondContact O-N 3.42Å; E591-K594 IonicContact OE1-NZ 2.62Å
592S43.5Very low45.3Very low101 Ų101141.7 Ų141.771%0.70676%0.76SS**  trans-73-5.5-175.959.60000115E589 K594E589-S592 PolarHBondContact O-OG 2.87Å; E589-S592 VanDerWaalsContact O-OG 3.06Å; S592-K594 PolarHBondContact O-N 3.1Å
593A40.2Very low45.2Very low89 Ų89140.9 Ų140.974%0.73676%0.759SS**  trans-99.980.2-169.100000114.3E591E591-A593 PolarHBondContact O-N 3.42Å
594K54Low45.2Very low164 Ų164141.4 Ų141.471%0.71376%0.76SS**  trans-124.7147.9166.4-83.4164.8-174.8145.30111.2E591 S592E591-K594 IonicContact OE1-NZ 2.62Å; S592-K594 PolarHBondContact O-N 3.1Å
595P49.4Very low45.1Very low127 Ų127141.3 Ų141.383%0.82576%0.764SS**  trans-75.6142.2-151.926.8-35.6000115.6R597P595-R597 PolarHBondContact O-N 2.88Å
596N41.7Very low45.1Very low157 Ų157139.8 Ų139.884%0.8476%0.762SS**  trans-72.7112.8-172.3-159.6-35.5000112.3
597R48.6Very low45.1Very low240 Ų240140.8 Ų140.891%0.90676%0.764SS**  trans-11167.4-177.3-159.7179.9-169.7-174.43.9112.9P595 A599P595-R597 PolarHBondContact O-N 2.88Å; R597-A599 PolarHBondContact O-N 3.01Å
598L47.5Very low45.1Very low137 Ų137138.7 Ų138.772%0.71776%0.764SS**  trans25.883.5162.6-63.2177.8000116.5N600L598-N600 PolarHBondContact O-N 2.71Å; L598-N600 VanDerWaalsContact O-N 3.12Å
599A49.5Very low44.5Very low84 Ų84138.7 Ų138.769%0.69477%0.765SS**  trans-78.217.9179.300000115.2R597 F601 S602R597-A599 PolarHBondContact O-N 3.01Å; A599-F601 PolarHBondContact O-N 3.48Å; A599-S602 PolarHBondContact O-N 3.27Å
600N45.2Very low44.1Very low128 Ų128136 Ų13668%0.68476%0.76SS**THydrogen-bonded Turntrans-7212.7-166.4-63.22.8000115.5L598L598-N600 PolarHBondContact O-N 2.71Å; L598-N600 VanDerWaalsContact O-N 3.12Å
601F49.3Very low44.1Very low208 Ų208141.8 Ų141.891%0.91277%0.773SS**THydrogen-bonded Turntrans-13942.9178.4-66.1-72000112.3A599A599-F601 PolarHBondContact O-N 3.48Å
602S39.1Very low43.9Very low91 Ų91139.7 Ų139.764%0.63677%0.766SS**  trans-96.1115167.9-167.80000110.4A599 T604A599-S602 PolarHBondContact O-N 3.27Å; S602-T604 PolarHBondContact O-N 3.49Å
603I41.6Very low43.6Very low157 Ų157138.5 Ų138.581%0.80577%0.77SS**  trans-88.298.5170.3-60.2175.7000107T605I603-T605 PolarHBondContact O-N 2.87Å
604T44.2Very low43.5Very low125 Ų125145 Ų14577%0.76778%0.775SS**  trans-70.693.5-176.213.70000111.9S602 A606S602-T604 PolarHBondContact O-N 3.49Å; T604-A606 VanDerWaalsContact C-N 3.31Å; T604-A606 PolarHBondContact O-N 2.84Å
605T41Very low42.9Very low124 Ų124141.9 Ų141.976%0.76178%0.78SS**  trans-70.386.8164.453.60000109.5I603 K607I603-T605 PolarHBondContact O-N 2.87Å; T605-K607 PolarHBondContact O-N 2.97Å; T605-K607 VanDerWaalsContact O-N 3.15Å
606A41.4Very low42.5Very low91 Ų91143.3 Ų143.375%0.75278%0.781SS**  trans-62.9112.8-179.100000111.5T604 S608T604-A606 VanDerWaalsContact C-N 3.31Å; T604-A606 PolarHBondContact O-N 2.84Å; A606-S608 PolarHBondContact O-N 2.8Å; A606-S608 VanDerWaalsContact O-N 3.07Å
607K40Very low42.5Very low187 Ų187139.6 Ų139.681%0.81377%0.767SS**  trans-73.692.5169.9-69.7-171.8176.8-171.80108.9D111 T605D111-K607 IonicContact OD2-NZ 2.75Å; D111-K607 PolarHBondContact OD2-NZ 3.43Å; T605-K607 PolarHBondContact O-N 2.97Å; T605-K607 VanDerWaalsContact O-N 3.15Å
608S41.5Very low41.9Very low108 Ų108136.7 Ų136.776%0.75576%0.762SS**  trans-124.9134167.3-173.10000110.3A606 T610A606-S608 PolarHBondContact O-N 2.8Å; A606-S608 VanDerWaalsContact O-N 3.07Å; S608-T610 PolarHBondContact O-N 2.98Å
609T37.4Very low41.6Very low137 Ų137138.8 Ų138.884%0.8477%0.768SS**  trans-86.9110.6-173.3179.70000111.4
610T41.7Very low41.1Very low110 Ų110139.8 Ų139.868%0.67578%0.776SS**  trans-157.7144.9161.3-740000108.8S608 I612S608-T610 PolarHBondContact O-N 2.98Å; T610-I612 HydrophobicContact CG2-CD1 3.78Å; T610-I612 PolarHBondContact O-N 3.12Å; T610-I612 VanDerWaalsContact O-N 3.16Å
611R39.5Very low40.7Very low251 Ų251137.5 Ų137.595%0.94778%0.783SS**  trans-77.398-175.7-50.6-179.4-160-174.25.5110.9
612I46.2Very low40.3Very low118 Ų118132.9 Ų132.961%0.60578%0.783SS**  trans-120.393.4163.1-57.394.3000109.2T610 R614T610-I612 HydrophobicContact CG2-CD1 3.78Å; T610-I612 PolarHBondContact O-N 3.12Å; T610-I612 VanDerWaalsContact O-N 3.16Å; I612-R614 HydrophobicContact CG2-CG 4.31Å
613G36.3Very low40.1Very low76 Ų76134.7 Ų134.778%0.78480%0.796SS**  trans-76.2135.2159.300000109.7
614R39.4Very low39.8Very low224 Ų224131 Ų13185%0.84580%0.796SS**  trans-120.5103.9160.3-78.6-169.4170.4109.71.1108.2I612I612-R614 HydrophobicContact CG2-CG 4.31Å
615A39.8Very low39.4Very low99 Ų99129.2 Ų129.282%0.81880%0.802SS**PPolyproline II helixtrans-71.3151.4166.800000109.5
616D42.2Very low39.1Very low157 Ų157126.6 Ų126.684%0.8480%0.8SS**PPolyproline II helixtrans-89.1152.8142.9-152.2-20.7000108.1
617S41Very low38.9Very low80 Ų80127.8 Ų127.856%0.55980%0.798SS**PPolyproline II helixtrans-82.7157.7-160.3-167.30000113.6
618F36.5Very low38.5Very low179 Ų179126.6 Ų126.679%0.78580%0.796SS**  177.275.3122.3-79.9-46.6000112.6
619Q40.5Very low38.5Very low181 Ų181128.4 Ų128.485%0.84680%0.802SS**  trans-147.8111154.9-117.2174.821.200111.6
620A40.4Very low38.4Very low104 Ų104126.3 Ų126.386%0.8680%0.798SS**  trans-78133.7163.100000108.5
621G36.8Very low38.1Very low81 Ų81126.2 Ų126.284%0.83580%0.802SS**  trans-90.7167.7-177.700000113.8
622A39.2Very low38Very low111 Ų111119.9 Ų119.992%0.91780%0.796SS**  trans-133.7132.615500000107
623S35.8Very low37.5Very low129 Ų129117.9 Ų117.990%0.90281%0.805SS**  trans-125.5162.8-179.358.30000110.8
624G36Very low37.6Very low79 Ų79126.1 Ų126.181%0.81481%0.813SS**  trans111.2105-16700000109.9
625G34.9Very low37.5Very low87 Ų87119.6 Ų119.690%0.89781%0.807SS**  cis102.8111.52.400000111.7
626G34.1Very low37.5Very low69 Ų69123 Ų12371%0.71181%0.81SS**  trans160107.1-178.900000112.5
627T37.8Very low37.3Very low117 Ų117120.7 Ų120.772%0.71881%0.806SS**  trans56.5106136.3-49.20000119.9
628E32.6Very low37.2Very low162 Ų162124.4 Ų124.476%0.75782%0.815SS**  24.3114.3125.5-54.4139.5-111.100118.8
629V40.9Very low37.4Very low145 Ų145127 Ų12788%0.87982%0.819SS**  -168.8148.8114.2-940000112.7
630A33.9Very low37.3Very low93 Ų93123.3 Ų123.377%0.76981%0.813SS**  trans16.6137152.100000123.4
631S36.8Very low37Very low109 Ų109122.8 Ų122.876%0.76280%0.803SS**  trans88.1130.3139.2-153.80000120.7
632S36.4Very low36.9Very low117 Ų117123.8 Ų123.882%0.81880%0.797SS**  trans50.5106.1144.3-52.80000119.8
633G36.1Very low36.9Very low77 Ų77127.7 Ų127.779%0.79480%0.796SS**  trans-136.7-37-174.700000119.9
634R38.7Very low37.1Very low249 Ų249126.9 Ų126.994%0.9479%0.785SS**  trans67.7156.7172-168.8-178.6170.1-151.9-0.6117.6
635A37.6Very low37.2Very low87 Ų87128.7 Ų128.772%0.71979%0.786SS**  trans66.786.6162.600000119.8
636L40.4Very low37.3Very low169 Ų169132.5 Ų132.589%0.88579%0.785SS**  trans-70.8136139.1-69168.6000109.2
637S37.9Very low37.6Very low109 Ų109136.8 Ų136.876%0.76279%0.791SS**  trans-149.6101.7164.1-167.40000107.9
638H38.1Very low37.5Very low159 Ų159139.9 Ų139.974%0.73680%0.795SS**  65.6109.880.5-73.4-68.7000115.2
639R40.2Very low37.8Very low234 Ų234139.3 Ų139.388%0.88380%0.796SS**  trans57.6119.5138.8-88-179.9156.9-137.6-2.3120.5
640S38.2Very low37.6Very low102 Ų102139.9 Ų139.971%0.71379%0.789SS**  89.4140.5125.8-148.30000120
641S34.4Very low37.9Very low93 Ų93143.9 Ų143.965%0.6579%0.792SS**  trans11.9115152.5520000119.9
642S34.6Very low37.7Very low103 Ų103146 Ų14672%0.7280%0.795SS**  trans26.8111.6132.158.90000118.8
643H39.7Very low37.8Very low193 Ų193143.5 Ų143.589%0.89479%0.788SS**  -148.4154.9128.7-118.5-80.5000113.2
644V39.6Very low37.9Very low111 Ų111148.9 Ų148.967%0.67380%0.796SS**  trans-62.8141-173.91760000113
645S39Very low37.8Very low117 Ų117140.1 Ų140.182%0.81878%0.784SS**  trans-151.380.8148.8-810000110.6N647S645-N647 PolarHBondContact O-N 2.75Å
646L37Very low38Very low167 Ų167144.8 Ų144.887%0.87480%0.795SS**  trans-70.1113.4161.6-80.8167.2000108.2
647N39.5Very low37.7Very low159 Ų159140 Ų14085%0.8579%0.787SS**  trans-128146.7164.6-113.8-28.8000110.4S645S645-N647 PolarHBondContact O-N 2.75Å
648K36.6Very low37.5Very low182 Ų182143.7 Ų143.779%0.79179%0.792SS**  trans-75.2157-167.1-55.8174.1-177.3178.70112.6
649L37.4Very low37.4Very low151 Ų151147.3 Ų147.379%0.79180%0.799SS**  trans141.289.1141.7-156.275.2000106.7
650E37.7Very low37.3Very low157 Ų157146.1 Ų146.173%0.73480%0.795SS**  66.6144.274.9-62.5178.9-136.300113.7
651Q39.6Very low37.5Very low176 Ų176146.8 Ų146.882%0.82280%0.799SS**  trans81.3114.7173.6-155.6164.273.100117.9
652N34.1Very low37.5Very low154 Ų154148.5 Ų148.582%0.82481%0.811SS**  trans28.7130.4144.9-46.5-12.9000119.7
653G37.8Very low38.3Very low65 Ų65148.3 Ų148.367%0.6781%0.81SS**  cis139.1158.24.500000111.6
654I38.2Very low38.3Very low189 Ų189148 Ų14897%0.96981%0.809SS**  trans67.8121.5178.1-46.5172.2000114.6
655G36.8Very low38.7Very low66 Ų66150.7 Ų150.768%0.6882%0.819SS**  trans144.493.4161.900000116.6
656L42.2Very low39Very low184 Ų184149.2 Ų149.296%0.96381%0.809SS**  trans36.2126.4143-52.1174.3000120.3
657G33Very low39.4Very low68 Ų68149.8 Ų149.870%0.70181%0.811SS**  trans134.3111.3144.400000118.4
658Q33.6Very low40.2Very low187 Ų187145.6 Ų145.687%0.87481%0.805SS**  trans12.3110.1144.8-61.8152.8-9100119.2
659R35.8Very low40.9Very low235 Ų235144.5 Ų144.589%0.88780%0.802SS**  -174.7111.5123.9-102.2148.6167.3-112.9-0.1114.3
660R39.1Very low41.6Very low209 Ų209142.1 Ų142.179%0.78980%0.799SS**  18106.6119.7-74178.2150.5-125.5-2.6116.9
661S40.9Very low42.6Very low116 Ų116139.4 Ų139.481%0.81179%0.794SS**  trans-151.787.2155.6-75.40000108.6S663S661-S663 PolarHBondContact O-N 2.91Å
662S36.4Very low43.7Very low129 Ų129134.1 Ų134.190%0.90278%0.777SS**  trans-8991.8179.753.60000110.4
663S49.9Very low45.1Very low100 Ų100133 Ų13370%0.69977%0.771SS**  trans-97.9149.7166.1-61.10000109.9S661S661-S663 PolarHBondContact O-N 2.91Å
664E40.5Very low46.6Very low185 Ų185137.8 Ų137.886%0.86478%0.775SS**  trans53.881.3157.7-61-179.9143.600117.5
665L46.9Very low48.6Very low169 Ų169130.2 Ų130.289%0.88574%0.739SS**  trans-102.794.6145.9-72.3-178.6000109.1I667L665-I667 PolarHBondContact O-N 2.82Å
666S47.3Very low50.6Low86 Ų86131.4 Ų131.460%0.60174%0.735SS**  trans-65.1113.8169.6178.80000109.7G668 E669S666-G668 PolarHBondContact O-N 2.81Å; S666-G668 VanDerWaalsContact O-N 3.13Å; S666-E669 PolarHBondContact O-N 3.38Å
667I44.8Very low52.3Low179 Ų179129.4 Ų129.492%0.91872%0.721SS**THydrogen-bonded Turntrans-72.3-3.6-178.2-64170.6000111.8L665L665-I667 PolarHBondContact O-N 2.82Å
668G55Low54.4Low70 Ų70127.3 Ų127.372%0.72269%0.694SS**THydrogen-bonded Turntrans-97.2-18.6178.500000116.1S666 S670S666-G668 PolarHBondContact O-N 2.81Å; S666-G668 VanDerWaalsContact O-N 3.13Å; G668-S670 PolarHBondContact O-N 2.75Å
669E52.2Low56.5Low159 Ų159121.9 Ų121.974%0.74367%0.67SS**  trans-92.495.3-172-167.9161.8-163.400111.8S666 P671S666-E669 PolarHBondContact O-N 3.38Å; E669-P671 WeakPolarHBondContact O-CD 3.35Å
670S52.6Low58.5Low102 Ų102117.1 Ų117.171%0.71366%0.656SS**  trans-62.7119.9174.4590000110.2G668 S672G668-S670 PolarHBondContact O-N 2.75Å; S670-S672 PolarHBondContact O-N 3Å
671P57.7Low60.3Low99 Ų99111.2 Ų111.264%0.64364%0.643SS**  trans-61.9109.7-175.321.6-32.2000110.9E669 L673 V678E669-P671 WeakPolarHBondContact O-CD 3.35Å; P671-L673 PolarHBondContact O-N 3.22Å; P671-V678 HydrophobicContact CB-CG2 3.63Å
672S63.7Low62Low65 Ų65108.7 Ų108.746%0.45562%0.62SS.*  trans-56.9127-179.81750000110.4S670 Q674 S675 V678S670-S672 PolarHBondContact O-N 3Å; S672-Q674 PolarHBondContact O-N 3.05Å; S672-Q674 PolarHBondContact OG-N 3.11Å; S672-S675 WeakPolarHBondContact O-CB 3.37Å; S672-S675 PolarHBondContact O-N 2.79Å; S672-V678 WeakPolarHBondContact O-CB 3.38Å; S672-V678 WeakPolarHBondContact O-CG2 3.44Å
673L62.2Low63.9Low132 Ų132106.6 Ų106.669%0.69160%0.598SS**THydrogen-bonded Turntrans-63.8-4.2177-62.4176.3000113.5P671 V678 I682P671-L673 PolarHBondContact O-N 3.22Å; L673-V678 HydrophobicContact CD2-CG1 4.22Å; L673-I682 HydrophobicContact CD2-CD1 3.74Å
674Q70.9Confident65.1Low165 Ų165106.1 Ų106.177%0.77159%0.588SS**THydrogen-bonded Turntrans-100-8.8172.2-66.3-177.9-29.600114.1S672 I679S672-Q674 PolarHBondContact O-N 3.05Å; S672-Q674 PolarHBondContact OG-N 3.11Å; Q674-I679 WeakPolarHBondContact O-CD1 3.48Å
675S78.7Confident66.3Low30 Ų30100.7 Ų100.721%0.2157%0.57CS.*SBendtrans-60.4135.3175.2156.10000109.9S672 E677 V678 I679S672-S675 WeakPolarHBondContact O-CB 3.37Å; S672-S675 PolarHBondContact O-N 2.79Å; S675-E677 PolarHBondContact O-N 3.14Å; S675-E677 PolarHBondContact OG-N 3.06Å; S675-E677 VanDerWaalsContact OG-N 3.17Å; S675-V678 PolarHBondContact O-N 3.45Å; S675-V678 VanDerWaalsContact O-N 3.17Å; S675-V678 PolarHBondContact OG-N 3.24Å; S675-I679 WeakPolarHBondContact O-CB 3.49Å; S675-I679 VanDerWaalsContact O-CG1 3.29Å; S675-I679 WeakPolarHBondContact O-CG1 3.4Å; S675-I679 PolarHBondContact O-N 2.87Å
676P79.4Confident66.9Low91 Ų9199.6 Ų99.659%0.59155%0.554SS**Hα-helixtrans-63.6-22.1178.226.8-34.5000112.6K680P676-K680 VanDerWaalsContact O-CB 3.29Å; P676-K680 WeakPolarHBondContact O-CB 3.3Å; P676-K680 VanDerWaalsContact O-CG 3.22Å; P676-K680 WeakPolarHBondContact O-CG 3.47Å; P676-K680 PolarHBondContact O-N 3.34Å
677E77.7Confident67.4Low142 Ų142103.1 Ų103.166%0.66456%0.559SS**Hα-helixtrans-82.2-37.6176.7-61.5173.1141.800111.2S675 K680 T681S675-E677 PolarHBondContact O-N 3.14Å; S675-E677 PolarHBondContact OG-N 3.06Å; S675-E677 VanDerWaalsContact OG-N 3.17Å; E677-K680 PolarHBondContact O-N 3.3Å; E677-T681 WeakPolarHBondContact O-CB 3.24Å; E677-T681 PolarHBondContact O-N 3.48Å; E677-T681 PolarHBondContact O-OG1 3.17Å
678V76.4Confident67.9Low23 Ų23101.6 Ų101.614%0.13955%0.552CS.*Hα-helixtrans-67.8-40.8171.3178.40000110.1P671 S672 L673 S675 T681 I682P671-V678 HydrophobicContact CB-CG2 3.63Å; S672-V678 WeakPolarHBondContact O-CB 3.38Å; S672-V678 WeakPolarHBondContact O-CG2 3.44Å; L673-V678 HydrophobicContact CD2-CG1 4.22Å; S675-V678 PolarHBondContact O-N 3.45Å; S675-V678 VanDerWaalsContact O-N 3.17Å; S675-V678 PolarHBondContact OG-N 3.24Å; V678-T681 PolarHBondContact O-N 3.17Å; V678-I682 HydrophobicContact CG1-CD1 3.64Å; V678-I682 HydrophobicContact CG1-CG1 4.34Å; V678-I682 WeakPolarHBondContact O-CB 3.36Å; V678-I682 WeakPolarHBondContact O-CG1 3.29Å; V678-I682 PolarHBondContact O-N 3.18Å
679I78.6Confident67.7Low73 Ų73103.1 Ų103.137%0.37455%0.552SS.*Hα-helixtrans-63.6-46.2172.2-69167.3000110.7Q674 S675 T681 I682 L683Q674-I679 WeakPolarHBondContact O-CD1 3.48Å; S675-I679 WeakPolarHBondContact O-CB 3.49Å; S675-I679 VanDerWaalsContact O-CG1 3.29Å; S675-I679 WeakPolarHBondContact O-CG1 3.4Å; S675-I679 PolarHBondContact O-N 2.87Å; I679-T681 VanDerWaalsContact C-N 3.32Å; I679-T681 PolarHBondContact O-N 3.13Å; I679-I682 PolarHBondContact O-N 2.79Å; I679-L683 HydrophobicContact CG2-CD1 3.69Å; I679-L683 HydrophobicContact CG2-CG 4.25Å; I679-L683 VanDerWaalsContact O-CB 3.25Å; I679-L683 WeakPolarHBondContact O-CB 3.26Å; I679-L683 WeakPolarHBondContact O-CG 3.24Å; I679-L683 PolarHBondContact O-N 2.9Å
680K78.1Confident67.5Low136 Ų136102.9 Ų102.959%0.59156%0.555SS**Hα-helixtrans-57.5-44.2172.3-84.9172.8177.8177.30111.7P676 E677 L683 N684P676-K680 VanDerWaalsContact O-CB 3.29Å; P676-K680 WeakPolarHBondContact O-CB 3.3Å; P676-K680 VanDerWaalsContact O-CG 3.22Å; P676-K680 WeakPolarHBondContact O-CG 3.47Å; P676-K680 PolarHBondContact O-N 3.34Å; E677-K680 PolarHBondContact O-N 3.3Å; K680-L683 PolarHBondContact O-N 2.81Å; K680-N684 VanDerWaalsContact O-CB 3.29Å; K680-N684 WeakPolarHBondContact O-CB 3.34Å; K680-N684 PolarHBondContact O-N 2.98Å; K680-N684 PolarHBondContact O-ND2 2.98Å
681T76.7Confident66.9Low85 Ų85102.2 Ų102.252%0.52156%0.556SS.*Hα-helixtrans-63.2-51.4178.5-56.20000110.4E677 V678 I679 L683 N684 S685E677-T681 WeakPolarHBondContact O-CB 3.24Å; E677-T681 PolarHBondContact O-N 3.48Å; E677-T681 PolarHBondContact O-OG1 3.17Å; V678-T681 PolarHBondContact O-N 3.17Å; I679-T681 VanDerWaalsContact C-N 3.32Å; I679-T681 PolarHBondContact O-N 3.13Å; T681-L683 VanDerWaalsContact C-N 3.28Å; T681-L683 PolarHBondContact O-N 2.88Å; T681-N684 PolarHBondContact O-N 2.99Å; T681-N684 VanDerWaalsContact O-N 3.16Å; T681-S685 WeakPolarHBondContact O-CB 3.24Å; T681-S685 PolarHBondContact O-N 2.99Å; T681-S685 PolarHBondContact O-OG 3.25Å; T681-S685 VanDerWaalsContact O-OG 3.06Å
682I75.5Confident66Low63 Ų63106.2 Ų106.232%0.32357%0.566SS.*Hα-helixtrans-67.5-25.8179.5-63.4169.3000112.2L673 V678 I679 R686L673-I682 HydrophobicContact CD2-CD1 3.74Å; V678-I682 HydrophobicContact CG1-CD1 3.64Å; V678-I682 HydrophobicContact CG1-CG1 4.34Å; V678-I682 WeakPolarHBondContact O-CB 3.36Å; V678-I682 WeakPolarHBondContact O-CG1 3.29Å; V678-I682 PolarHBondContact O-N 3.18Å; I679-I682 PolarHBondContact O-N 2.79Å; I682-R686 VanDerWaalsContact O-CB 3.31Å; I682-R686 WeakPolarHBondContact O-CB 3.24Å; I682-R686 VanDerWaalsContact O-CG 3.26Å; I682-R686 WeakPolarHBondContact O-CG 3.25Å; I682-R686 PolarHBondContact O-N 3.06Å; I682-R686 PolarHBondContact O-NE 3.07Å
683L77.7Confident64.8Low85 Ų85109.4 Ų109.445%0.44559%0.588SS.*Hα-helixtrans-76.5-40.1170.6-73.6171.9000112.1I679 K680 T681 R686 K687I679-L683 HydrophobicContact CG2-CD1 3.69Å; I679-L683 HydrophobicContact CG2-CG 4.25Å; I679-L683 VanDerWaalsContact O-CB 3.25Å; I679-L683 WeakPolarHBondContact O-CB 3.26Å; I679-L683 WeakPolarHBondContact O-CG 3.24Å; I679-L683 PolarHBondContact O-N 2.9Å; K680-L683 PolarHBondContact O-N 2.81Å; T681-L683 VanDerWaalsContact C-N 3.28Å; T681-L683 PolarHBondContact O-N 2.88Å; L683-R686 CarbonylContact O-C 3.58Å; L683-R686 PolarHBondContact O-N 3.07Å; L683-K687 PolarHBondContact O-N 3.17Å
684N73.7Confident63.6Low90 Ų90107.3 Ų107.348%0.48160%0.598SS.*Hα-helixtrans-72.1-41.4177.5-70.5-10.6000111.7K680 T681 R686 K687 N688K680-N684 VanDerWaalsContact O-CB 3.29Å; K680-N684 WeakPolarHBondContact O-CB 3.34Å; K680-N684 PolarHBondContact O-N 2.98Å; K680-N684 PolarHBondContact O-ND2 2.98Å; T681-N684 PolarHBondContact O-N 2.99Å; T681-N684 VanDerWaalsContact O-N 3.16Å; N684-R686 PolarHBondContact O-N 2.82Å; N684-K687 WeakPolarHBondContact O-CA 3.26Å; N684-K687 WeakPolarHBondContact O-CB 3.25Å; N684-K687 PolarHBondContact O-N 3.4Å; N684-N688 PolarHBondContact O-N 3.26Å
685S66.5Low62Low70 Ų70102.9 Ų102.949%0.4960%0.597SS.*Hα-helixtrans-58.7-35.7168.7-60.60000111.8T681 N688 S689T681-S685 WeakPolarHBondContact O-CB 3.24Å; T681-S685 PolarHBondContact O-N 2.99Å; T681-S685 PolarHBondContact O-OG 3.25Å; T681-S685 VanDerWaalsContact O-OG 3.06Å; S685-N688 PolarHBondContact O-N 3.2Å; S685-S689 WeakPolarHBondContact O-CB 3.42Å; S685-S689 PolarHBondContact O-N 3.03Å
686R60.2Low60Low147 Ų147107.6 Ų107.656%0.55563%0.63SS**Hα-helixtrans-75.3-22.6172.5-78.5-176.8-70-177.31114.1I682 L683 N684 L690I682-R686 VanDerWaalsContact O-CB 3.31Å; I682-R686 WeakPolarHBondContact O-CB 3.24Å; I682-R686 VanDerWaalsContact O-CG 3.26Å; I682-R686 WeakPolarHBondContact O-CG 3.25Å; I682-R686 PolarHBondContact O-N 3.06Å; I682-R686 PolarHBondContact O-NE 3.07Å; L683-R686 CarbonylContact O-C 3.58Å; L683-R686 PolarHBondContact O-N 3.07Å; N684-R686 PolarHBondContact O-N 2.82Å; R686-L690 WeakPolarHBondContact O-CB 3.3Å; R686-L690 PolarHBondContact O-N 3.48Å
687K56.6Low58Low160 Ų160108.2 Ų108.270%0.69664%0.643SS**Hα-helixtrans-72.9-32.6167.4-75.6-176.1173.3-1720112.5L683 N684L683-K687 PolarHBondContact O-N 3.17Å; N684-K687 WeakPolarHBondContact O-CA 3.26Å; N684-K687 WeakPolarHBondContact O-CB 3.25Å; N684-K687 PolarHBondContact O-N 3.4Å
688N55.5Low56.1Low146 Ų146107 Ų10778%0.78165%0.65SS**SBendtrans-88.8-0.1176.7-65.213.7000113.6N684 S685N684-N688 PolarHBondContact O-N 3.26Å; S685-N688 PolarHBondContact O-N 3.2Å
689S51.6Low54.2Low103 Ų103112 Ų11272%0.7268%0.681SS**SBendtrans-125.510.4-178.2-176.50000113.1S685S685-S689 WeakPolarHBondContact O-CB 3.42Å; S685-S689 PolarHBondContact O-N 3.03Å
690L48.4Very low52.5Low154 Ų154113.9 Ų113.981%0.80670%0.697SS**  trans-128.160.8177.9-17167.3000109.4R686R686-L690 WeakPolarHBondContact O-CB 3.3Å; R686-L690 PolarHBondContact O-N 3.48Å
691A39.1Very low50.6Low87 Ų87113.5 Ų113.572%0.71971%0.707SS**  trans-141.922.7-175.600000113.4
692E38.7Very low48.7Very low183 Ų183114.3 Ų114.386%0.85571%0.712SS**SBendtrans-141.4145170.6-91-173.113500111.2
693S39.6Very low46.9Very low133 Ų133119.7 Ų119.793%0.9374%0.735SS**SBendtrans63.7112.2-177.272.60000116.9
694G37.2Very low44.9Very low87 Ų87123.9 Ų123.990%0.89775%0.752SS**  trans145.578.2173.500000113.2
695G35.9Very low43.5Very low73 Ų73123.9 Ų123.975%0.75376%0.757SS**  trans-116.4-175.2-171.700000116.5
696S36.8Very low42.3Very low128 Ų128129.3 Ų129.390%0.89577%0.772SS**  trans90.7130170-62.10000119.7
697A37.2Very low41.3Very low104 Ų104129.1 Ų129.186%0.8678%0.781SS**  trans68.1137.8167.200000117.6
698S39.2Very low40.7Very low116 Ų116127.4 Ų127.481%0.81178%0.778SS**  cis-152.4156.6-051.30000113
699T35.5Very low40Very low130 Ų130128.2 Ų128.280%0.79878%0.775SS**  trans-85.2-170.7172.453.30000111
700P42Very low39.4Very low111 Ų111130.2 Ų130.272%0.72177%0.772SS**  cis-142.6-1598.731.5-3.7000116.6
701V38.3Very low39Very low129 Ų129129 Ų12978%0.78277%0.766SS**  trans87.2136.2159.8178.80000117.6
702T37.2Very low39Very low102 Ų102132.6 Ų132.663%0.62677%0.768SS**  cis-171.8166.2-17.2-88.50000110.8
703E38.5Very low39Very low176 Ų176128.3 Ų128.382%0.82276%0.758SS**  trans72.1137166.7-83.2150.7-149.100119
704Q35Very low39.1Very low172 Ų172129.3 Ų129.380%0.80475%0.753SS**  cis94.9152.423.8-72.1-132.210.700116.3
705P44.2Very low39.2Very low90 Ų90129.7 Ų129.758%0.58475%0.747SS**  cis-146.5-163.2-42.743.4-25.3000115
706K41.7Very low39.4Very low184 Ų184133.9 Ų133.980%0.875%0.745SS**  trans95.9148.7143.4-93.7172.3-175.1166.80124.1
707I40.2Very low39.4Very low143 Ų143134.5 Ų134.573%0.73373%0.733SS**  trans85.2134.2148.5-77.5160.5000119.4
708I43.1Very low39.6Very low124 Ų124137 Ų13764%0.63673%0.727SS**  cis-171.8152.4-18.4-138.6-178000114.1
709K41.8Very low39.6Very low164 Ų164135.9 Ų135.971%0.71372%0.719SS**  trans67.1159.7156.2-70.8172.5-175.1177.40120
710Q38.9Very low39.7Very low145 Ų145134.3 Ų134.368%0.67871%0.713SS**  cis-157148.84.1-137.1168.4-59.900116
711L39Very low39.7Very low129 Ų129134.8 Ų134.868%0.67571%0.714SS**  trans50.3126.5147.5-96.464.6000121.1
712E38.1Very low39.7Very low161 Ų161135.7 Ų135.775%0.75272%0.715SS**  92.5141.866.2-177.2160.7-118.500112.3
713S39.9Very low39.8Very low94 Ų94134.4 Ų134.466%0.65772%0.722SS**  cis-149.4145.419.457.90000116.6
714L41.7Very low39.8Very low154 Ų154131.9 Ų131.981%0.80672%0.718SS**  trans57.3144.4136.3-86.168.9000124.8
715A38.6Very low39.9Very low94 Ų94132.3 Ų132.378%0.77772%0.717SS**  trans82.9141.814000000121.6
716K41.4Very low39.5Very low162 Ų162133.3 Ų133.370%0.70472%0.718SS**  cis-170.1136.9-19.4-173.4161.9173.5177.10111.2
717E36.1Very low39.4Very low140 Ų140131.1 Ų131.165%0.65471%0.714SS**  trans62167.6157.6-79.9168.1-15300118.3
718Q41.5Very low39.2Very low156 Ų156129 Ų12973%0.72971%0.711SS**  cis-144.8176.86.3-140165.967.900113.2
719S38.5Very low38.8Very low93 Ų93127.6 Ų127.665%0.6571%0.712SS**  trans-55177.4173.659.40000115.7
720S38.1Very low38.4Very low97 Ų97125.5 Ų125.568%0.67872%0.718SS**  cis-168.3163.131.6-143.50000116.6
721V42.8Very low38.1Very low122 Ų122128.8 Ų128.874%0.73973%0.725SS**  trans5.9134.7156.4-57.80000120.2
722D38.1Very low37.7Very low147 Ų147126.6 Ų126.679%0.78672%0.72SS**  84.5139.153.5-163.410000113.4
723G38.3Very low37.4Very low76 Ų76127.4 Ų127.478%0.78472%0.724SS**  trans161.762.2-166.400000115.5
724V38.7Very low36.9Very low123 Ų123127 Ų12775%0.74573%0.726SS**  trans-72.2176.3175.2-750000114.5
725K37.9Very low36.4Very low180 Ų180123.8 Ų123.878%0.78372%0.716SS**  trans84.1139.3158.6-116.1144.7176.5-174.50116.6
726D35.3Very low36.2Very low112 Ų112126.7 Ų126.760%0.59971%0.714SS**  cis-163.7165.6-8.2-132.9-16000112.6
727I39.6Very low36Very low138 Ų138126.5 Ų126.571%0.70872%0.716SS**  trans64.6134.9144.9-71.1160000122.5
728S36.4Very low35.8Very low97 Ų97124.6 Ų124.668%0.67872%0.718SS**  trans83.3109.9151.5-92.60000124
729S33.3Very low35.8Very low95 Ų95122.6 Ų122.666%0.66472%0.718SS**  62.5126.2105.7-49.70000121.7
730S33.8Very low35.8Very low120 Ų120124.1 Ų124.184%0.83972%0.724SS**  trans71.5161.4149.885.10000116.1
731R32.9Very low35.9Very low215 Ų215125.2 Ų125.281%0.81173%0.729SS**  cis-179.6137.1-25.6166.5-138.9174163.3-1.4105.5
732S31.8Very low35.7Very low82 Ų82125.4 Ų125.457%0.57373%0.73SS**  trans59.5169.4168.743.70000114.9
733E30Very low35.8Very low178 Ų178123 Ų12383%0.83272%0.723SS**  cis-150.4-177.8-33.2-111.3166.810000109
734A29.9Very low35.6Very low85 Ų85127.8 Ų127.870%0.70272%0.721SS**  trans-24.9141.5171.700000116.5
735S31.6Very low35.3Very low87 Ų87131.2 Ų131.261%0.60873%0.726SS**  -173.8143.294.7-85.60000114.4
736Q33.9Very low35.3Very low155 Ų155127.7 Ų127.772%0.72472%0.724SS**  58.3140.8128.2-58.4174.568.600119.2
737Q38.4Very low35.4Very low159 Ų159129.5 Ų129.574%0.74373%0.734SS**  cis-152.2155.219.9-116.7144.243.100112.7
738S31.5Very low35.6Very low100 Ų100128.9 Ų128.970%0.69974%0.739SS**  trans-41.4179.9154.853.60000118.3
739P41Very low35.7Very low114 Ų114127.3 Ų127.374%0.7474%0.738SS**  cis-138.5-177.3-9.222.83.3000116.7
740T39Very low35.9Very low125 Ų125129.3 Ų129.377%0.76775%0.746SS**  trans-40.5157152.68.60000115.5
741P39.4Very low36.3Very low119 Ų119131.2 Ų131.277%0.77374%0.742SS**  -153.3175.165.641.4-20.1000120.4
742V38.6Very low36.3Very low127 Ų127129.4 Ų129.477%0.7774%0.74SS**  trans-59.6-176.7161.1-77.60000113.8
743P40.8Very low36.8Very low97 Ų97129.9 Ų129.963%0.6374%0.741SS**  cis-142.8-164.8926.52000116.5
744K33.1Very low37Very low175 Ų175127.1 Ų127.176%0.76174%0.736SS**  trans115.8120.1143.1-66.4166.5-176.6169.70118.7
745K32.7Very low37.3Very low195 Ų195127.8 Ų127.885%0.84874%0.736SS**  62.5148.3121.3-68.6-168.9173-169.70120.8
746S37.7Very low37.8Very low106 Ų106128.6 Ų128.674%0.74174%0.739SS**  cis-167.9167.1-9.2450000113.5
747N37.8Very low37.8Very low151 Ų151126.3 Ų126.381%0.80774%0.736SS**  trans-37.5167153.5-74.610.1000115.2
748P44.9Very low37.7Very low125 Ų125127.4 Ų127.481%0.81274%0.738SS**  cis-130.1-171.22230.8-7.3000114.6
749G38.1Very low37.9Very low64 Ų64133.8 Ų133.866%0.6675%0.747SS**  cis155.8-169.9-6.200000111.4
750V36.9Very low37.3Very low136 Ų136132.2 Ų132.282%0.82474%0.744SS**  trans64.7116.1145170.80000116.7
751E42.7Very low36.9Very low160 Ų160132.7 Ų132.775%0.74875%0.746SS**  cis-144.3167.115.7-60.2-149.9103.300110.5
752K33.7Very low36.4Very low177 Ų177135 Ų13577%0.7775%0.746SS**  cis73.8145.632.4175.1-172.9177.4-1630113
753P40.3Very low36.2Very low92 Ų92135.2 Ų135.260%0.59774%0.739SS**  cis-133.1-1731.328.4-3.5000117.5
754T35.2Very low35.9Very low120 Ų120136 Ų13674%0.73675%0.745SS**  trans61.6119.3143.440.20000121.4
755S35.2Very low36.2Very low99 Ų99136.4 Ų136.469%0.69274%0.743SS**  99.6168.459.979.70000112.6
756P43.7Very low36.9Very low104 Ų104132.8 Ų132.868%0.67574%0.739SS**  cis-138.8166.1-137.5-17.3000117.7
757T33.1Very low37Very low108 Ų108132.2 Ų132.266%0.66374%0.735SS**  trans51.5150.6135.5-50.60000125
758F37.3Very low37.2Very low181 Ų181130.5 Ų130.579%0.79474%0.735SS**  trans109.8110.8162.9-64.6-71.6000113.3
759R34.1Very low37.1Very low235 Ų235130.2 Ų130.289%0.88773%0.733SS**  50.8141.762.8-70.3-169.5176.8-162.11112.2
760A28.5Very low37.1Very low80 Ų80131.2 Ų131.266%0.66174%0.735SS**  cis179.8-179.9-15.500000104.8
761V31.1Very low37.3Very low136 Ų136131.3 Ų131.382%0.82473%0.73SS**  trans68.7148.6168.2173.90000113
762Q29.4Very low37Very low166 Ų166130.4 Ų130.478%0.77673%0.726SS**  cis-165.4-177.1-24.2-178.9162.81000107
763E33.9Very low37.2Very low132 Ų132129.7 Ų129.762%0.61772%0.723SS**  trans-47.4151.7164-97.6-177.2129.500112.5Y765E763-Y765 WeakPolarHBondContact OE1-CE2 3.35Å; E763-Y765 VanDerWaalsContact OE1-CZ 3.32Å; E763-Y765 PolarHBondContact OE1-OH 3.37Å
764P33.9Very low37.4Very low115 Ų115130.6 Ų130.675%0.74773%0.731SS**  -151.8-177.65842-21.2000118.5
765Y39Very low37.3Very low183 Ų183130.2 Ų130.272%0.71873%0.734SS**  trans-58.7164.1169.5-45.9-94.1000113.9E763E763-Y765 WeakPolarHBondContact OE1-CE2 3.35Å; E763-Y765 VanDerWaalsContact OE1-CZ 3.32Å; E763-Y765 PolarHBondContact OE1-OH 3.37Å
766P49.2Very low37.5Very low118 Ų118131.2 Ų131.277%0.76674%0.738SS**  -144.5127.6112.935.2-20000116.9
767S38.7Very low36.9Very low95 Ų95130.2 Ų130.266%0.66474%0.738SS**  trans35.8123.7133.770.80000123.4
768S41.6Very low36.7Very low115 Ų115131.1 Ų131.180%0.80474%0.743SS**  74.1166.2117.6-66.90000119.4
769P43.2Very low36.6Very low119 Ų119131 Ų13177%0.77375%0.745SS**  cis-138.5-176.915.644.2-26.8000118.4
770A39Very low36.3Very low85 Ų85127.4 Ų127.470%0.70274%0.738SS**  trans76.9138.9151.500000119.4
771L39.9Very low36.4Very low138 Ų138130.1 Ų130.172%0.72374%0.737SS**  cis-160.7135.6-9.7-105.8169.9000109.3
772Q36.9Very low36.6Very low141 Ų141132.7 Ų132.766%0.65973%0.732SS**  trans39.1144.8136.8-64.7179.831.900121.2
773K37.2Very low36.9Very low162 Ų162130.4 Ų130.470%0.70473%0.73SS**  cis-169.7173.110.7-122166-172.7159.30112.2
774S46.1Very low37.2Very low110 Ų110129.6 Ų129.677%0.76974%0.739SS**  trans61.9102.8150.157.30000122.7
775S33.1Very low37.4Very low113 Ų113129.4 Ų129.479%0.7974%0.738SS**  -70.3-176.5128.4-14.90000110.2
776P37.9Very low37.2Very low120 Ų120126.9 Ų126.978%0.77974%0.741SS**  cis-151.9-168.731.144.9-22.3000118.1
777A31.3Very low36.7Very low82 Ų82129 Ų12968%0.67874%0.74SS**  trans66.712313800000124.6
778V29.2Very low36.4Very low127 Ų127134.7 Ų134.777%0.7775%0.747SS**  47108.6123-1710000120.6
779Q34.6Very low36.3Very low179 Ų179134.7 Ų134.784%0.83675%0.745SS**  -171.3132.9128.2-97.5155.316.800106.2
780E28.7Very low36.1Very low160 Ų160133.2 Ų133.275%0.74874%0.737SS**  74.814250.2-153.8-168.5137.200113.2
781Q31Very low36.2Very low136 Ų136136.9 Ų136.964%0.63674%0.744SS**  trans79.9145.2-176.2-56-165.3500115.3
782R35.5Very low36.5Very low191 Ų191135.6 Ų135.672%0.72174%0.744SS**  cis-158.8142.20.7-129.1167.7-175.5165.8-2.7113.8
783T34.3Very low36.9Very low118 Ų118134.5 Ų134.572%0.72475%0.749SS**  trans44136.3142.651.30000121.4
784S41.3Very low36.8Very low115 Ų115130.9 Ų130.980%0.80475%0.749SS**  -165.8165.475.532.30000113.8
785P36.5Very low36.5Very low111 Ų111131.4 Ų131.472%0.72175%0.748SS**  trans-131.7164.3-144.643.6-29.1000118.9
786V35.4Very low36.7Very low130 Ų130135 Ų13579%0.78875%0.749SS**  trans27120.6133.4-172.20000120.4
787E38.4Very low36.4Very low162 Ų162134.7 Ų134.776%0.75775%0.75SS**  -174.1137.5116-95.2-160.2111.100108.8
788R33Very low36.6Very low214 Ų214136.3 Ų136.381%0.80875%0.751SS**  68.7138.767.9-169.8179-85.3-136.4-0.9110.8
789P38.6Very low36.7Very low115 Ų115138.4 Ų138.475%0.74775%0.753SS**  cis-128.2-175.421.347.5-32.9000113.1
790S40Very low36.5Very low89 Ų89137 Ų13762%0.62275%0.746SS**  cis175.7135.6-20.1570000109.5
791L40.8Very low36.8Very low162 Ų162137.4 Ų137.485%0.84875%0.748SS**  trans71.8173.3132.3-58.9174.8000118.7
792P46.1Very low36.9Very low110 Ų110135.6 Ų135.671%0.71476%0.757SS**  -139.4-140.8-98.942.6-17.7000110.5
793P46.6Very low36.9Very low118 Ų118133.3 Ų133.377%0.76676%0.763SS**  cis-128-178.6-22.737.5-18.8000114.9
794A34.5Very low37Very low86 Ų86132.2 Ų132.271%0.71176%0.76SS**  trans-68.4162.4174.700000114.8
795V39.5Very low36.7Very low121 Ų121133 Ų13373%0.73376%0.755SS**  -171137.6112.9-93.40000114.7
796K38.4Very low36.8Very low188 Ų188134.5 Ų134.582%0.81775%0.752SS**  trans57.7118.6140.7-60.5165.5-172.8175.40122.2
797S30.2Very low37Very low115 Ų115136.1 Ų136.180%0.80475%0.751SS**  trans68.3174.4132.4-1540000118.7
798V35.2Very low37.4Very low116 Ų116136.1 Ų136.170%0.70375%0.748SS**  trans66.7106.2170.2179.60000113.6
799E33.1Very low37.8Very low171 Ų171133.1 Ų133.180%0.79974%0.744SS**  100.3155.674.5-157.4170138.700111.4
800E30.3Very low37.8Very low148 Ų148134 Ų13469%0.69274%0.74SS**  trans-21.6131.6169.9-157.1-164100.600117.9
801Q33.8Very low37.6Very low169 Ų169135.6 Ų135.679%0.7975%0.746SS**  175.3156.3109.6-92.2177.611.400114.3
802A32.5Very low37.4Very low99 Ų99133.2 Ų133.282%0.81874%0.738SS**  trans-110.6137.6-178.600000112.2
803V36Very low36.9Very low143 Ų143135.4 Ų135.487%0.86774%0.739SS**  trans-147.4134.2173.6-1790000108.9
804S36.7Very low36.4Very low94 Ų94138 Ų13866%0.65774%0.738SS**  cis-169.4-170.8-23-166.50000108.4
805L36.2Very low36.8Very low132 Ų132141 Ų14169%0.69174%0.737SS**  trans77128.9164.1-41.6-172000115.7
806H38.3Very low36.5Very low143 Ų143140.4 Ų140.466%0.66274%0.739SS**  cis-159.9146.52.2-114.8143.3000112.4
807Q38.5Very low36.7Very low163 Ų163137.2 Ų137.276%0.76274%0.738SS**  trans72.2138.8152.7-65170.754.700119
808K46.4Very low37.2Very low162 Ų162137.3 Ų137.370%0.70474%0.735SS**  cis-169.8125.5-10174.2164.6-174.1-176.70112
809E41.4Very low36.9Very low152 Ų152139.7 Ų139.771%0.7174%0.743SS**  trans56.4145148.7-111.9174.612000118.9
810I40.2Very low37.1Very low132 Ų132140.5 Ų140.568%0.67775%0.747SS**  cis-14912927.7-90.6166.9000106.6
811V36Very low37.1Very low123 Ų123137.4 Ų137.475%0.74574%0.742SS**  64.6129.481.4150.70000112.8
812V36.4Very low37.3Very low113 Ų113137.7 Ų137.769%0.68575%0.745SS**  cis-166164.1-3.987.40000107.4
813Q35.4Very low37.2Very low156 Ų156142.6 Ų142.673%0.72975%0.748SS**  171.8132.978.6-160.215894.700111.8
814K36Very low37.3Very low171 Ų171144.1 Ų144.174%0.74375%0.746SS**  trans50.9150.9151.6-71.9172155.9-115.80120.7
815E43.2Very low36.9Very low149 Ų149144.4 Ų144.470%0.69675%0.748SS**  cis-148.9177.49.3-151146.789.300111.9
816S33.1Very low36.8Very low109 Ų109145.9 Ų145.976%0.76275%0.749SS**  trans-164.2177.9-176.2-500000111.6
817P41.3Very low36.4Very low122 Ų122144.6 Ų144.679%0.79275%0.751SS**  -95.4-94.1-50.923-2.6000110.4
818P40.4Very low36.3Very low117 Ų117144.6 Ų144.676%0.7675%0.754SS**  cis-110.6-139.9-14.544-30.6000112.8
819L30.7Very low35.7Very low166 Ų166142.2 Ų142.287%0.86975%0.753SS**  trans-121.5146.6169.6-75.178.7000111.4
820E36Very low36Very low188 Ų188139.8 Ų139.888%0.87975%0.753SS**  trans-169.3153.7152.5-105.6172.6-149.800106.3
821S31.5Very low35.9Very low82 Ų82142.8 Ų142.857%0.57376%0.761SS**  cis178.9165.2-25.664.60000104.5
822M37.2Very low36.4Very low175 Ų175145.3 Ų145.386%0.86277%0.767SS**  trans65.2117.6178.5-47.8-170.5-176.400114.4
823K30.5Very low36.6Very low203 Ų203145.1 Ų145.188%0.88377%0.771SS**  46.192.453.5-70.3-171.2175.4-178.90114.1
824E37.1Very low36.9Very low175 Ų175143.4 Ų143.482%0.81877%0.773SS**  -156.9152.5126-122.6175.9-173.800113.3F826E824-F826 HydrophobicContact CG-CD2 4.27Å; E824-F826 HydrophobicContact CG-CE2 3.99Å
825S29.7Very low37.9Very low100 Ų100140.5 Ų140.570%0.69977%0.772SS**  trans-134.199.7-17457.60000110.9
826F32.7Very low37.8Very low163 Ų163137.7 Ų137.772%0.71577%0.773SS**  trans-136.5129.8171-72.1-79.5000108.5E824E824-F826 HydrophobicContact CG-CD2 4.27Å; E824-F826 HydrophobicContact CG-CE2 3.99Å
827V31.7Very low38.2Very low115 Ų115137.8 Ų137.870%0.69777%0.769SS**  cis78.786.529.4-169.20000113.8V829V827-V829 HydrophobicContact CG1-CG2 3.93Å
828I36.5Very low38.3Very low163 Ų163141.2 Ų141.284%0.83677%0.772SS**  trans-143.9105.4165.6-51.8177000105.3
829V33.5Very low38Very low112 Ų112144.1 Ų144.168%0.67977%0.772SS**  cis81103.642.7-175.50000114.1V827V827-V829 HydrophobicContact CG1-CG2 3.93Å
830S45.9Very low38.5Very low101 Ų101141.9 Ų141.971%0.70677%0.766SS**  trans-172105.2146.4-89.70000115.9
831K38.1Very low39Very low196 Ų196137.7 Ų137.785%0.85275%0.754SS**  trans65.3153.9143.3-50.9174.8-176.7172.80117.1
832M48.4Very low39.1Very low175 Ų175140.4 Ų140.486%0.86276%0.763SS**  cis-142.413322-66.2163.854.800114.5
833S39.6Very low39.5Very low110 Ų110136.8 Ų136.877%0.76975%0.752SS**  trans51.8116.1139.2-173.40000123.5
834P42.1Very low39.8Very low119 Ų119136.7 Ų136.777%0.77375%0.752SS**  trans-130.4149.1141.338.2-27.1000114.6
835P57.2Low40.3Very low111 Ų111133.5 Ų133.572%0.72175%0.746SS**  trans-96.1134.5152.735.4-28.1000109.6
836A40.1Very low40.6Very low89 Ų89137.1 Ų137.174%0.73675%0.75SS**  cis66.1132.147.500000111.2
837V42.5Very low40.7Very low111 Ų111134.6 Ų134.667%0.67375%0.747SS**  cis-167.9149.246.8164.30000111.4
838K43.3Very low41Very low195 Ų195137 Ų13785%0.84875%0.751SS**  trans70.1158.4161.9-74.9157.2-158.11650119.5
839K34.6Very low41.1Very low177 Ų177133.3 Ų133.377%0.7775%0.745SS**  cis-178.2164.7-30.1-157.8-163.5173-166.80110
840V40.5Very low41.4Very low120 Ų120133.7 Ų133.773%0.72775%0.747SS**  trans70.8151.6160.1-77.60000119.9
841P46.8Very low41.1Very low99 Ų99136.3 Ų136.364%0.64375%0.746SS**  trans-139.8-152.9-147.334.4-7.2000114.4
842D33Very low41Very low140 Ų140132.8 Ų132.875%0.74973%0.733SS**  trans73.5172.8156.7-56.3-23.4000117.5
843P46.7Very low40.4Very low98 Ų98132.3 Ų132.364%0.63673%0.728SS**  -142.6161.9-66.543-28.2000116.9
844F36.7Very low40.1Very low202 Ų202131.4 Ų131.489%0.88672%0.722SS**  trans58.4-164.8154.1-69.8-56.3000117.1
845P46.3Very low39.7Very low107 Ų107131 Ų13170%0.69572%0.722SS**  -131-172.6-78.938.9-23.8000115.8
846K35.6Very low38.7Very low177 Ų177128.8 Ų128.877%0.7772%0.719SS**  trans102122.4134.7-129.3-165.6174.9-165.70120.5
847V36.1Very low38.3Very low109 Ų109130.5 Ų130.566%0.66172%0.716SS**  trans57.3164.2148.4-66.10000118.9
848E37.9Very low37.9Very low165 Ų165133.4 Ų133.477%0.77172%0.722SS**  cis-153.7167.211.7-148.9139.7-123.400113.2
849A37.2Very low37.4Very low87 Ų87128.8 Ų128.872%0.71971%0.714SS**  trans68.6144.1145.600000121.2
850V39.8Very low37.5Very low120 Ų120125.2 Ų125.273%0.72771%0.712SS**  cis-166.8147.8-14.298.30000111.8
851K39.8Very low37.4Very low155 Ų155128 Ų12867%0.67472%0.717SS**  trans60.2152154.7-68.2-175170.5-80.70121
852E37.2Very low36.9Very low123 Ų123128.3 Ų128.358%0.57572%0.721SS**  cis-168.4159.8-21.5-115.6163.4-16800110.9
853E35.3Very low36.8Very low165 Ų165127 Ų12777%0.77172%0.718SS**  trans49.1153.5140.3-70.6-177.6126.400123.7
854S33.7Very low36.5Very low90 Ų90128.8 Ų128.863%0.62972%0.721SS**  cis-172.2155.9-18.2-174.60000112
855S33.6Very low36.3Very low112 Ų112125 Ų12578%0.78372%0.715SS**  trans64.9159148.369.20000122.1
856G35.4Very low36.4Very low64 Ų64125.5 Ų125.566%0.6672%0.718SS**  trans108.864.216400000115.7
857N31.3Very low36.9Very low125 Ų125122 Ų12267%0.66871%0.714SS**  73.1118.479.8-71.956.2000115.9
858E34.4Very low37Very low172 Ų172124 Ų12480%0.80472%0.721SS**  trans67.3148.5133.2-67.3169.8123.800119.8
859S32.9Very low37.1Very low97 Ų97122.3 Ų122.368%0.67872%0.722SS**  cis-168155.8-7.91720000111.7
860S38Very low37.3Very low103 Ų103123.9 Ų123.972%0.7273%0.725SS**  trans80.3150.5148.6-710000124.5
861Q38.7Very low37.2Very low178 Ų178122.8 Ų122.883%0.83273%0.728SS**  trans68.6110162.7-69.3175.16.500117.8
862S36.1Very low37.1Very low105 Ų105121.6 Ų121.673%0.73473%0.734SS**  85.215256.684.10000113
863T30.2Very low37.4Very low112 Ų112120.9 Ų120.969%0.68774%0.74SS**  cis-165.1168.516.2-158.80000113.1
864I39.6Very low37.6Very low136 Ų136120.3 Ų120.370%0.69775%0.747SS**  trans62.3108.5159.2-67.9168.4000117.5
865T33.1Very low37.5Very low124 Ų124120.3 Ų120.376%0.76175%0.747SS**  88.6141.466.349.10000118.4
866P49.3Very low38.1Very low116 Ų116121.3 Ų121.375%0.75375%0.751SS**  trans-93.3-158.6-176.744.3-41.6000112
867P44.6Very low38.2Very low105 Ų105124 Ų12468%0.68275%0.754SS**  cis-143.2-168.9344.8-24.1000117.3
868N39.7Very low38.4Very low151 Ų151126 Ų12681%0.80777%0.765SS**  trans137.4132143.3-83.8-42.3000119
869T39.1Very low38.4Very low129 Ų129124.3 Ų124.379%0.79176%0.761SS**  trans-71.6-179.3159.530.40000113
870P42Very low38.4Very low120 Ų120130.2 Ų130.278%0.77977%0.768SS**  cis-135.7-171.45.539.4-19.6000116.5
871A36.9Very low38.5Very low96 Ų96132.1 Ų132.179%0.79377%0.77SS**  trans99.4129.2145.300000122.4
872T37.8Very low38.8Very low131 Ų131128.8 Ų128.880%0.80476%0.764SS**  trans-55.5-178.7164.343.80000116.7
873P44.9Very low38.7Very low107 Ų107130.6 Ų130.670%0.69577%0.766SS**  cis-139.1169.4-36.236.9-20.9000114
874V38.5Very low38.9Very low154 Ų154131.9 Ų131.993%0.93377%0.768SS**  trans-168.9168.7145.3-102.30000113.3
875S31.6Very low38.8Very low90 Ų90132.2 Ų132.263%0.62978%0.777SS**  trans-83.1155.9-175.655.30000116.3
876P45.5Very low38.9Very low133 Ų133134 Ų13486%0.86478%0.778SS**  trans-71.7148.8163.132.2-34.7000112.2
877V37.6Very low38.4Very low120 Ų120133.6 Ų133.673%0.72779%0.785SS**  trans-112.7143-177.6178.50000110.7L879V877-L879 HydrophobicContact CG1-CD1 4Å; V877-L879 PolarHBondContact O-N 2.8Å
878N37Very low37.7Very low166 Ų166136.3 Ų136.389%0.88879%0.788SS**  trans-72.6121.1178.7-80.5-61.6000113.3
879L33.4Very low37.7Very low138 Ų138136.4 Ų136.472%0.72379%0.787SS**  trans-150.9147.9165.8-78.3104.2000108.5V877V877-L879 HydrophobicContact CG1-CD1 4Å; V877-L879 PolarHBondContact O-N 2.8Å
880R34Very low37.7Very low220 Ų220137.9 Ų137.983%0.8379%0.785SS**  cis-167.9142-10.1169.4170.8-175.4139.30.1109.8
881N40.1Very low37.3Very low144 Ų144140.5 Ų140.577%0.7779%0.787SS**  trans-79.7144.3176-136.677.9000112.3
882P43.8Very low37.3Very low107 Ų107140.1 Ų140.170%0.69578%0.779SS**  -134.6-170.7109.642.9-32.7000110.6
883N35Very low37.3Very low144 Ų144141.7 Ų141.777%0.7778%0.777SS**  cis-149.2176.47.5-162.716.2000111.5
884N33.6Very low36.9Very low139 Ų139145.7 Ų145.774%0.74378%0.778SS**  trans-81.5161.4169.6-67.1-19.4000113.6
885T36.6Very low36.9Very low142 Ų142144.4 Ų144.487%0.87177%0.766SS**  -161.7152.8123.5-72.50000109.7
886M36.2Very low37.1Very low162 Ų162147.7 Ų147.780%0.79877%0.772SS**  trans-89.2156.6-170.7-58.2163.574.900114.2
887A38.3Very low37Very low108 Ų108146.9 Ų146.989%0.89377%0.766SS**  trans-151.9148.6140.400000109.3
888E30.1Very low37.2Very low161 Ų161144.9 Ų144.975%0.75276%0.762SS**  trans-137.6154-167.8176.3-178154.600109.5
889I40.9Very low37.5Very low153 Ų153142.6 Ų142.679%0.78576%0.756SS**  trans-176.4131.6149.8-97.1149.5000111.6
890E38Very low38.1Very low160 Ų160140.8 Ų140.875%0.74876%0.755SS**  trans23.4131.2153.5-54.3-172.2113.400121.6
891Q33.4Very low38.4Very low175 Ų175135.9 Ų135.982%0.81875%0.754SS**  70.2133.757.9-61.9-169.226.800113.7
892S36.7Very low39Very low88 Ų88138.5 Ų138.562%0.61576%0.759SS**  cis-171.3157.448.2-129.50000114.8
893Q38.4Very low39.3Very low165 Ų165139.5 Ų139.577%0.77177%0.765SS**  trans62.6152152.3-61-175.520.600120.5
894R36.1Very low40.4Very low191 Ų191140.4 Ų140.472%0.72177%0.769SS**  cis-170169.8-12.9-96.8177.189.2115.916.4106.4
895D39.3Very low41.9Very low126 Ų126139 Ų13967%0.67477%0.768SS**  cis-154.3-131.12.7-121.99.2000111.7
896E36.2Very low43.2Very low160 Ų160138 Ų13875%0.74876%0.762SS**  trans-126178.1-172-105.3-100.4114.400112.3
897P41.5Very low44.5Very low116 Ų116136.2 Ų136.275%0.75376%0.76SS**  cis-134.7175.914.140.3-20000119.7
898A42.2Very low45.9Very low77 Ų77141 Ų14164%0.63676%0.757SS**  trans-79.3175.6-175.100000117.7
899P44.6Very low47.7Very low118 Ų118143.8 Ų143.877%0.76676%0.76SS**  -149.8155.2107.439.9-24.1000119.6
900S44.7Very low49Very low101 Ų101145.2 Ų145.271%0.70676%0.757SS**  trans54.398.3148.562.90000123.3
901S39.8Very low50.4Low116 Ų116143.5 Ų143.581%0.81176%0.763SS**  35.3120126.862.50000121.8
902K54.5Low52.6Low200 Ų200136.6 Ų136.687%0.8774%0.739SS**PPolyproline II helixtrans-100.3151.6153.4-69.6175.7-177.9173.40109.7
903P48.6Very low54.4Low127 Ų127137.6 Ų137.683%0.82574%0.743SS**PPolyproline II helixtrans-67149.4-175.527.4-35.3000112.8
904L58.3Low56Low163 Ų163134.3 Ų134.385%0.85374%0.736SS**PPolyproline II helixtrans-64.3144.8175.1-72167.6000111.3
905P64.9Low57.6Low111 Ų111131 Ų13172%0.72174%0.742SS**PPolyproline II helixtrans-65144.2175.428.4-34.7000111.2T907P905-T907 PolarHBondContact O-N 2.83Å; P905-T907 VanDerWaalsContact O-N 3.09Å
906T63.8Low58.9Low120 Ų120129.6 Ų129.674%0.73673%0.734SS**  trans-65.9107.9179.9480000111.6Y908T906-Y908 PolarHBondContact O-N 2.91Å
907T63.8Low60.5Low125 Ų125126.7 Ų126.777%0.76772%0.724SS**  trans-68.390.7175.8-58.30000111.3P905 R909P905-T907 PolarHBondContact O-N 2.83Å; P905-T907 VanDerWaalsContact O-N 3.09Å; T907-R909 HydrophobicContact CG2-CG 4.47Å; T907-R909 PolarHBondContact O-N 2.95Å
908Y68.5Low61.6Low208 Ų208128.6 Ų128.682%0.81672%0.72SS**  trans-67.7111.1164.4-89.8-97.5000109.7T906T906-Y908 PolarHBondContact O-N 2.91Å
909R67.1Low62.8Low220 Ų220128.1 Ų128.183%0.8372%0.716SS**  trans-84.7133.2161.4-73.5-156.6175.7-156.43.2109.3T907 S911T907-R909 HydrophobicContact CG2-CG 4.47Å; T907-R909 PolarHBondContact O-N 2.95Å; R909-S911 PolarHBondContact O-N 3.01Å
910Y69.3Low63.9Low182 Ų182125.8 Ų125.871%0.71470%0.7SS**  trans-79.8105.4179.2-179.7-105000110.3G912Y910-G912 VanDerWaalsContact CE1-C 3.42Å; Y910-G912 WeakPolarHBondContact CE1-O 3.22Å; Y910-G912 VanDerWaalsContact CZ-O 3.23Å; Y910-G912 PolarHBondContact O-N 3.22Å; Y910-G912 PolarHBondContact OH-O 2.86Å
911S66.7Low64.7Low124 Ų124131.1 Ų131.187%0.86771%0.705SS**  trans-77.146.7-177.3-560000113.8R909R909-S911 PolarHBondContact O-N 3.01Å
912G79.9Confident66.1Low31 Ų31130.8 Ų130.832%0.3270%0.702SS.*SBendtrans70.6-178.9-178.300000114.4Y910Y910-G912 VanDerWaalsContact CE1-C 3.42Å; Y910-G912 WeakPolarHBondContact CE1-O 3.22Å; Y910-G912 VanDerWaalsContact CZ-O 3.23Å; Y910-G912 PolarHBondContact O-N 3.22Å; Y910-G912 PolarHBondContact OH-O 2.86Å
913P74.5Confident66.9Low109 Ų109128.2 Ų128.271%0.70869%0.694SS**SBendtrans-62133.5172.2-17.831.6000110.3S915P913-S915 PolarHBondContact O-N 2.78Å
914P71.5Confident67.8Low95 Ų95132.6 Ų132.662%0.61769%0.694SS**  trans-63.2131.4176.926.1-33.7000110.3I916P914-I916 HydrophobicContact CG-CG1 4.43Å; P914-I916 PolarHBondContact O-N 3.26Å
915S70.5Confident68.5Low122 Ų122130.4 Ų130.485%0.85369%0.689SS**  trans-72.176.4176.143.20000111P913 N917P913-S915 PolarHBondContact O-N 2.78Å; S915-N917 PolarHBondContact O-N 3.22Å
916I65.1Low68.7Low96 Ų96134.7 Ų134.749%0.49270%0.697SS.*  trans-66.395.6177.6-63.8175.8000109.1P914 F918P914-I916 HydrophobicContact CG-CG1 4.43Å; P914-I916 PolarHBondContact O-N 3.26Å; I916-F918 HydrophobicContact CG2-CD1 4.23Å; I916-F918 HydrophobicContact CG2-CE1 4.13Å; I916-F918 HydrophobicContact CG2-CZ 4.38Å; I916-F918 WeakPolarHBondContact O-CD2 3.2Å; I916-F918 PolarHBondContact O-N 2.68Å
917N69.7Low69Low100 Ų100133.6 Ų133.654%0.53569%0.694SS.*  trans-70.299.7168179.6-2.2000109S915 A919 T920S915-N917 PolarHBondContact O-N 3.22Å; N917-A919 PolarHBondContact O-N 2.86Å; N917-A919 VanDerWaalsContact OD1-CB 3.26Å; N917-A919 WeakPolarHBondContact OD1-CB 3.25Å; N917-A919 PolarHBondContact OD1-N 2.97Å; N917-A919 VanDerWaalsContact OD1-N 3.1Å; N917-T920 HydrophobicContact CB-CG2 4.19Å; N917-T920 WeakPolarHBondContact O-CB 3.49Å; N917-T920 PolarHBondContact O-N 2.76Å; N917-T920 PolarHBondContact O-OG1 3.29Å
918F65.4Low68.9Low155 Ų155134 Ų13468%0.6870%0.696SS**G310 helixtrans-57.3-20.4-178.7-66.9-79.5000114.3I916 T920 W921I916-F918 HydrophobicContact CG2-CD1 4.23Å; I916-F918 HydrophobicContact CG2-CE1 4.13Å; I916-F918 HydrophobicContact CG2-CZ 4.38Å; I916-F918 WeakPolarHBondContact O-CD2 3.2Å; I916-F918 PolarHBondContact O-N 2.68Å; F918-T920 PolarHBondContact O-N 3.36Å; F918-W921 PolarHBondContact O-N 3.26Å
919A67.9Low68.4Low67 Ų67130 Ų13055%0.55469%0.693SS**G310 helixtrans-60.5-29.9173.100000112.7N917 W921 S922N917-A919 PolarHBondContact O-N 2.86Å; N917-A919 VanDerWaalsContact OD1-CB 3.26Å; N917-A919 WeakPolarHBondContact OD1-CB 3.25Å; N917-A919 PolarHBondContact OD1-N 2.97Å; N917-A919 VanDerWaalsContact OD1-N 3.1Å; A919-W921 PolarHBondContact O-N 3.43Å; A919-S922 PolarHBondContact O-N 2.91Å; A919-S922 PolarHBondContact O-OG 3.32Å; A919-S922 VanDerWaalsContact O-OG 3.05Å
920T66.9Low68.4Low70 Ų70123.8 Ų123.843%0.42969%0.688SS.*G310 helixtrans-68.8-16-179.163.40000114N917 F918 S922 E923N917-T920 HydrophobicContact CB-CG2 4.19Å; N917-T920 WeakPolarHBondContact O-CB 3.49Å; N917-T920 PolarHBondContact O-N 2.76Å; N917-T920 PolarHBondContact O-OG1 3.29Å; F918-T920 PolarHBondContact O-N 3.36Å; T920-S922 PolarHBondContact O-N 3.02Å; T920-E923 PolarHBondContact O-N 2.89Å
921W63Low68.4Low212 Ų212122.2 Ų122.280%0.80369%0.691SS**G310 helixtrans-64.1-22.8178.1-86.642.1000113.4F918 A919F918-W921 PolarHBondContact O-N 3.26Å; A919-W921 PolarHBondContact O-N 3.43Å
922S69Low68.9Low109 Ų109123.6 Ų123.676%0.76268%0.681SS**G310 helixtrans-87-21.1171.568.90000113.2A919 T920 R924A919-S922 PolarHBondContact O-N 2.91Å; A919-S922 PolarHBondContact O-OG 3.32Å; A919-S922 VanDerWaalsContact O-OG 3.05Å; T920-S922 PolarHBondContact O-N 3.02Å; S922-R924 VanDerWaalsContact C-N 3.31Å; S922-R924 PolarHBondContact O-N 3.43Å
923E70.1Confident68.2Low147 Ų147129.7 Ų129.769%0.68771%0.707SS**SBendtrans-84.872.3-178.9-171.5156.8-142.700111.5T920 P925T920-E923 PolarHBondContact O-N 2.89Å; E923-P925 WeakPolarHBondContact O-CD 3.17Å; E923-P925 VanDerWaalsContact O-N 3.13Å
924R68.2Low67.8Low219 Ų219129.1 Ų129.183%0.82669%0.694SS**  trans-56115.3178.4-162.5-178.2-155.8125.14110.6S922 K926S922-R924 VanDerWaalsContact C-N 3.31Å; S922-R924 PolarHBondContact O-N 3.43Å; R924-K926 PolarHBondContact O-N 2.8Å
925P73Confident67.7Low116 Ų116127.9 Ų127.975%0.75370%0.699SS**  trans-62.9124.9-173.922.7-33000110.9E923 S927E923-P925 WeakPolarHBondContact O-CD 3.17Å; E923-P925 VanDerWaalsContact O-N 3.13Å; P925-S927 VanDerWaalsContact C-N 3.28Å; P925-S927 PolarHBondContact O-N 3.49Å
926K68.2Low67.6Low202 Ų202129 Ų12988%0.87870%0.696SS**  trans-86.55.6-178.3-68.8169.6-174.71470113.6R924 T928R924-K926 PolarHBondContact O-N 2.8Å; K926-T928 PolarHBondContact O-N 3.38Å
927S71.7Confident67Low97 Ų97134.5 Ų134.568%0.67871%0.711SS**  trans-69.2125.1176.8-172.50000110.6P925 V929P925-S927 VanDerWaalsContact C-N 3.28Å; P925-S927 PolarHBondContact O-N 3.49Å; S927-V929 PolarHBondContact O-N 2.83Å; S927-V929 VanDerWaalsContact O-N 3.08Å
928T60.3Low66.7Low133 Ų133137 Ų13782%0.81672%0.724SS**  trans-77.390.5173.9480000109.7K926 A930K926-T928 PolarHBondContact O-N 3.38Å; T928-A930 PolarHBondContact O-N 2.81Å
929V59.4Low66Low125 Ų125140 Ų14076%0.75874%0.736SS**  trans-65.597.5172.1-177.30000108.9S927 I931S927-V929 PolarHBondContact O-N 2.83Å; S927-V929 VanDerWaalsContact O-N 3.08Å; V929-I931 PolarHBondContact O-N 3.42Å
930A66.3Low64.9Low88 Ų88140.7 Ų140.773%0.72775%0.751SS**  trans-73.1110.8167.900000108.3T928 K932T928-A930 PolarHBondContact O-N 2.81Å; A930-K932 PolarHBondContact O-N 3.4Å
931I69.9Low64Low150 Ų150140.9 Ų140.977%0.76977%0.766SS**  trans-68.4100.6169.3-57.9176000106.4V929V929-I931 PolarHBondContact O-N 3.42Å
932K77.1Confident63.1Low152 Ų152136 Ų13666%0.66177%0.772SS**  trans-78.2138179.2-160.6176.4177.7-144.10108.6A930 E934A930-K932 PolarHBondContact O-N 3.4Å; K932-E934 HydrophobicContact CB-CG 4.24Å; K932-E934 HydrophobicContact CD-CG 4.25Å; K932-E934 WeakPolarHBondContact CD-OE1 3.29Å; K932-E934 WeakPolarHBondContact CE-OE1 3.29Å; K932-E934 HydrophobicContact CG-CG 4.14Å; K932-E934 IonicContact NZ-OE1 2.68Å; K932-E934 PolarHBondContact NZ-OE1 3.16Å; K932-E934 PolarHBondContact O-N 2.72Å
933N65.7Low62.3Low160 Ų160134.6 Ų134.686%0.85677%0.774SS**  trans-76.536.3-168.8-51.83.8000113.5
934E65.5Low61.3Low96 Ų96137.2 Ų137.245%0.44978%0.783SS.*  trans-67.7138.7-173.7-55.4-67.5-170.300111.4K932 D936K932-E934 HydrophobicContact CB-CG 4.24Å; K932-E934 HydrophobicContact CD-CG 4.25Å; K932-E934 WeakPolarHBondContact CD-OE1 3.29Å; K932-E934 WeakPolarHBondContact CE-OE1 3.29Å; K932-E934 HydrophobicContact CG-CG 4.14Å; K932-E934 IonicContact NZ-OE1 2.68Å; K932-E934 PolarHBondContact NZ-OE1 3.16Å; K932-E934 PolarHBondContact O-N 2.72Å; E934-D936 PolarHBondContact O-N 2.77Å; E934-D936 VanDerWaalsContact O-N 3.14Å
935G68.7Low60.1Low69 Ų69132.2 Ų132.271%0.71178%0.782SS**THydrogen-bonded Turntrans-73.10.9-173.300000115.8Y937G935-Y937 PolarHBondContact O-N 3.31Å
936D69.6Low58.8Low146 Ų146136.6 Ų136.678%0.78179%0.792SS**THydrogen-bonded Turntrans-69.5-11-172.7-68.9-28.9000114.3E934 I938E934-D936 PolarHBondContact O-N 2.77Å; E934-D936 VanDerWaalsContact O-N 3.14Å; D936-I938 PolarHBondContact O-N 3.06Å
937Y51Low57.3Low211 Ų211134.9 Ų134.983%0.82779%0.787SS**  trans-7758.6174.8-72.9-72.1000113G935 F939G935-Y937 PolarHBondContact O-N 3.31Å; Y937-F939 PolarHBondContact O-N 3.22Å
938I63.4Low55.9Low154 Ų154138 Ų13879%0.7980%0.795SS**  trans-71.5118.2169.254170.2000110.6D936 G940D936-I938 PolarHBondContact O-N 3.06Å; I938-G940 PolarHBondContact O-N 3.34Å
939F50.8Low54.8Low216 Ų216137 Ų13795%0.94779%0.789SS**  trans-72.3113.5175.4-129.3-96000109.2Y937 G941Y937-F939 PolarHBondContact O-N 3.22Å; F939-G941 PolarHBondContact O-N 3.4Å
940G44.7Very low53.9Low83 Ų83136.4 Ų136.486%0.85679%0.79SS**  trans-68.8101.7-171.900000113.8I938I938-G940 PolarHBondContact O-N 3.34Å
941G49.3Very low53.2Low73 Ų73137.9 Ų137.975%0.75379%0.793SS**  trans-12694171.900000111.5F939 G943F939-G941 PolarHBondContact O-N 3.4Å; G941-G943 PolarHBondContact O-N 3.06Å
942A43.7Very low52.1Low111 Ų111136.8 Ų136.892%0.91780%0.795SS**  trans-93.289.9-175.600000112.4
943G52.3Low50.4Low78 Ų78135 Ų13580%0.80480%0.802SS**  trans-94.5137.6167.200000111.7G941G941-G943 PolarHBondContact O-N 3.06Å
944K49.5Very low48.8Very low202 Ų202135.8 Ų135.888%0.87880%0.798SS**  trans-101.5131.9179.8-66.6-179.2-178175.70111.9
945S41.9Very low47.5Very low115 Ų115138.8 Ų138.880%0.80482%0.816SS**  trans45.8107.5149.359.50000119.9
946Q45.6Very low45.9Very low207 Ų207140.8 Ų140.897%0.96782%0.815SS**  -143.3165.6117-123.3178.31.400110.7
947Q36.7Very low44.6Very low167 Ų167141.7 Ų141.778%0.7882%0.818SS**  trans-128.7104.3-150.3172.8-168.4-46.200112.5
948L42.9Very low44.1Very low163 Ų163134.1 Ų134.185%0.85380%0.804SS**  trans-148.177.7163.9-82.4-178.1000112.6
949T36.3Very low42.8Very low112 Ų112134.4 Ų134.469%0.68781%0.812SS**  36.989.1117.761.30000120.7
950S41.9Very low42.2Very low111 Ų111128.3 Ų128.378%0.77680%0.802SS**  trans-172.6156.3138.841.60000110.4
951P49.9Very low42Very low120 Ų120129.5 Ų129.578%0.77980%0.797SS**PPolyproline II helixtrans-83146-167.431.7-35.4000114.1
952P47Very low41.6Very low126 Ų126131.5 Ų131.582%0.81880%0.797SS**PPolyproline II helixtrans-76130.7-17930.4-34.6000112.6
953S42Very low41.7Very low115 Ų115133.6 Ų133.680%0.80479%0.791SS**PPolyproline II helixtrans-73.7138.7172.4500000111.7L955S953-L955 PolarHBondContact O-N 2.83Å
954K33.1Very low41.3Very low177 Ų177136.7 Ų136.777%0.7779%0.789SS**  trans-95.284.3-162.3-172.4178.2-178.6177.10112.4T956K954-T956 PolarHBondContact O-N 3.36Å
955L37.7Very low41.1Very low158 Ų158137.7 Ų137.783%0.82779%0.787SS**  trans-78.981.8174.2-73.1-179.6000112.5S953 I957S953-L955 PolarHBondContact O-N 2.83Å; L955-I957 PolarHBondContact O-N 3.16Å
956T34.9Very low41.1Very low112 Ų112141.1 Ų141.169%0.68779%0.792SS**  trans-66.6107.2161.3-570000109.5K954K954-T956 PolarHBondContact O-N 3.36Å
957I42.6Very low41Very low164 Ų164134.6 Ų134.684%0.84178%0.781SS**  trans-99.382.5166-57.7-177.7000108.3L955L955-I957 PolarHBondContact O-N 3.16Å
958G40.9Very low41.4Very low53 Ų53134 Ų13455%0.54678%0.782SS.*  trans-92122.7169.200000110.5A960G958-A960 PolarHBondContact O-N 3.04Å
959V34.8Very low41.9Very low159 Ų159132 Ų13296%0.96478%0.778SS**SBendtrans9.689.4160-168.90000116.1
960A39.1Very low42.2Very low88 Ų88135.3 Ų135.373%0.72779%0.786SS**  trans-151.4126.2165.200000112.2G958G958-A960 PolarHBondContact O-N 3.04Å
961S40.2Very low42.4Very low109 Ų109132.8 Ų132.876%0.76278%0.777SS**  trans33.999.6154.3-50.80000120.1
962P41.5Very low42.4Very low115 Ų115133.6 Ų133.675%0.74777%0.769SS**  trans-65.7170.6138.334.8-35.2000110.1
963I44Very low42.6Very low155 Ų155135.5 Ų135.580%0.79577%0.767SS**  trans70.196.4-178.6-45.2167.2000113.3
964L44.3Very low42.5Very low143 Ų143140 Ų14075%0.74977%0.768SS**  -167.7138.6111.7-98.4175.5000110.9
965R46.4Very low43.7Very low223 Ų223139.6 Ų139.684%0.84277%0.768SS**  trans42105.4130.7-151.6176.5-162.4135.3-1.8115.3
966M40.6Very low44.1Very low186 Ų186137.1 Ų137.192%0.91676%0.759SS**  -146.6162.453.8-57.1-172.4-70.400113
967G43.5Very low45Very low71 Ų71137.2 Ų137.273%0.73276%0.762SS**  trans113.639.1157.900000118.5P969G967-P969 WeakPolarHBondContact O-CD 3.33Å
968I46.1Very low45.3Very low155 Ų155136.8 Ų136.880%0.79576%0.76SS**  trans-94103.1163.5-58.4175.6000109.4Q970I968-Q970 HydrophobicContact CG2-CG 4.37Å; I968-Q970 PolarHBondContact O-N 2.93Å
969P53.8Low45.8Very low120 Ų120139.8 Ų139.878%0.77977%0.767SS**  trans-74.8113.3157.430.6-30.8000108.6G967G967-P969 WeakPolarHBondContact O-CD 3.33Å
970Q42.2Very low46.1Very low181 Ų181138 Ų13885%0.84676%0.757SS**  trans-68.4160.9176.7-66.9-178.5-17.400112.1I968I968-Q970 HydrophobicContact CG2-CG 4.37Å; I968-Q970 PolarHBondContact O-N 2.93Å
971G44.7Very low47Very low58 Ų58142.4 Ų142.460%0.59876%0.759SS**  trans93.585.1162.600000116.4
972K50Low47.5Very low137 Ų137142.4 Ų142.460%0.59676%0.757SS**  trans-167.976.8142.1-94.6137.6-1651680109.5Y974K972-Y974 HydrophobicContact CB-CE2 4.14Å; K972-Y974 PolarHBondContact O-N 2.91Å; K972-Y974 VanDerWaalsContact O-N 3.17Å
973E52.5Low47.8Very low167 Ų167144.5 Ų144.578%0.7876%0.761SS**  trans-58.8107.7160.755.5-136.497.700110.8H975E973-H975 PolarHBondContact O-N 3.03Å
974Y40.3Very low48.1Very low210 Ų210145 Ų14582%0.82476%0.757SS**  trans-85.389.9169.2-79.4-79.5000109.1K972 V976K972-Y974 HydrophobicContact CB-CE2 4.14Å; K972-Y974 PolarHBondContact O-N 2.91Å; K972-Y974 VanDerWaalsContact O-N 3.17Å; Y974-V976 PolarHBondContact O-N 2.86Å
975H58Low47.7Very low168 Ų168145.3 Ų145.378%0.77876%0.76SS**  trans-59.5128.2174.3-123.7-85.5000110.6E973E973-H975 PolarHBondContact O-N 3.03Å
976V45Very low47.4Very low106 Ų106143.6 Ų143.664%0.64276%0.761SS**  trans-69.7126.5168-1790000107.8Y974 I978Y974-V976 PolarHBondContact O-N 2.86Å; V976-I978 HydrophobicContact CG1-CG1 4.08Å; V976-I978 PolarHBondContact O-N 2.96Å
977P54Low47.5Very low114 Ų114141.5 Ų141.574%0.7475%0.752SS**  trans-73.589.1179.828.8-34000111
978I49.1Very low47.4Very low155 Ų155145.2 Ų145.280%0.79576%0.755SS**  trans-99.577.1169.1-52.9179.2000108.1V976V976-I978 HydrophobicContact CG1-CG1 4.08Å; V976-I978 PolarHBondContact O-N 2.96Å
979T52.3Low47Very low115 Ų115145.3 Ų145.371%0.70675%0.752SS**  trans-147.9132.5-175.726.20000109.7
980V41.4Very low46Very low123 Ų123145.2 Ų145.275%0.74575%0.745SS**  cis-138.5160-2.2-1560000109.3
981K56.5Low45.7Very low179 Ų179143.7 Ų143.778%0.77874%0.737SS**  trans-60.5151.2159.3-63.5172.3-178.3171.70109.6L983K981-L983 PolarHBondContact O-N 3.1Å
982P50.6Low45.3Very low110 Ų110147.8 Ų147.871%0.71474%0.741SS**  trans-63.4107.9165.626.9-33000109.8K984P982-K984 PolarHBondContact O-NZ 2.9Å
983L48Very low44.7Very low158 Ų158148.8 Ų148.883%0.82775%0.748SS**PPolyproline II helixtrans-70.3159.5167.1-124.968.9000109.7K981K981-L983 PolarHBondContact O-N 3.1Å
984K50.2Low43.9Very low166 Ų166146.7 Ų146.772%0.72274%0.738SS**PPolyproline II helixtrans-91158.2-172.6-84.255.4-178.6168.70109.6P982 E986P982-K984 PolarHBondContact O-NZ 2.9Å; K984-E986 PolarHBondContact O-N 2.93Å
985D36.6Very low43.7Very low149 Ų149144.5 Ų144.580%0.79773%0.733SS**PPolyproline II helixtrans-58.4127167.4-44.1-88.3000109.3
986E40.4Very low42.7Very low187 Ų187144.1 Ų144.187%0.87473%0.729SS**  trans-111.498173.8-170.4162.6-14500107.6K984K984-E986 PolarHBondContact O-N 2.93Å
987I43.5Very low42.3Very low142 Ų142146.2 Ų146.273%0.72873%0.732SS**  trans-108.8110-178.7-64.5177.7000107.9
988L40.6Very low41.7Very low150 Ų150149.4 Ų149.479%0.78573%0.734SS**  trans63.4161.9178-83.563.5000112.1
989E36.6Very low41.1Very low157 Ų157146.4 Ų146.473%0.73473%0.725SS**  cis-163144.242.8-175.1176.1155.400112.7
990N34.1Very low40.1Very low118 Ų118148.2 Ų148.263%0.63173%0.725SS**  trans41.9126.8153.7-67.2-31.5000120
991Q36.4Very low39.8Very low148 Ų148147.9 Ų147.969%0.69272%0.723SS**  cis-178.7154.846.3-122.9167.311200111.6
992Q36.1Very low38.5Very low145 Ų145146.9 Ų146.968%0.67872%0.721SS**  trans56.7134.1154-57.1177.845.100118.3
993Q36.5Very low37.6Very low157 Ų157148.3 Ų148.373%0.73472%0.718SS**  cis-169.5162.64.7-110.4179.492.400106
994E36Very low37.1Very low124 Ų124147 Ų14758%0.57971%0.711SS**  cis-162.7160.50.6-158.9-146.2149.900108.9
995K35.5Very low36.3Very low163 Ų163146.8 Ų146.871%0.70971%0.71SS**  trans62.8144.5170-66.3162.2175117.30117.1
996K37.2Very low36.3Very low160 Ų160144.1 Ų144.170%0.69670%0.696SS**  cis-154.2138.1-2.9-128.1-169.3172.4-138.30109.6
997E37.8Very low36Very low151 Ų151142.5 Ų142.571%0.70669%0.689SS**  50.9131.8123.2-165.5179.1-128.400120.7
998K40.2Very low35.6Very low180 Ų180142.8 Ų142.878%0.78369%0.687SS**  cis-160.3-157-14.8-140.5-159.5156.1-150.20109.2
999P36.1Very low35.4Very low93 Ų93142.1 Ų142.160%0.60468%0.683SS**  trans-107.3-152.6-148.829.9-2.1000112
1000E32.9Very low35.4Very low152 Ų152141 Ų14171%0.7168%0.678SS**  cis-171149.838.1-166.9152.4154.800113.9
1001V33.4Very low35.7Very low116 Ų116142.2 Ų142.270%0.70368%0.677SS**  trans-3150.9145.9171.30000116.6
1002Q30Very low36Very low158 Ų158143.2 Ų143.274%0.73868%0.682SS**  cis164.2177.6-7.2-173.8177-73.200104.9
1003E32.1Very low36.2Very low140 Ų140141 Ų14165%0.65468%0.682SS**  trans83.9141.9147.9-122.7-166.5123.700121
1004L36.7Very low36.2Very low130 Ų130139.8 Ų139.868%0.68169%0.685SS**  trans65155.1162.9-56.2-178.1000115.7
1005K33.4Very low36.3Very low162 Ų162139.4 Ų139.470%0.70470%0.696SS**  cis-157.9-177.20.7-124.2164.8161.4-159.90106.6
1006D37.2Very low36.2Very low93 Ų93137.3 Ų137.350%0.49770%0.697SS.*  cis-165.4163.59-131-40.8000108.1
1007Q34.5Very low36.1Very low153 Ų153138.8 Ų138.872%0.71570%0.703SS**  trans51.8176.5148.2-75.9153.256.800120
1008E35.3Very low36.1Very low149 Ų149137 Ų13770%0.69670%0.703SS**  -144.6-166.7-58.1-127.9-162.67800107.2
1009I36.5Very low36.2Very low135 Ų135137.2 Ų137.269%0.69270%0.704SS**  cis-134.6157.412.7-55.4166.9000109.1
1010E35.7Very low36.5Very low135 Ų135138.1 Ų138.163%0.63171%0.71SS**  trans-56.5168.5164.917.415980.500116.8
1011K41.3Very low36.9Very low143 Ų143139 Ų13962%0.62271%0.711SS**  172.4138.698.4-84.1176.3-162.4-68.40113.8
1012E41.5Very low37.4Very low168 Ų168139 Ų13979%0.78571%0.711SS**  trans47.6149.7141-64.1170.1106.100121.8
1013S39.7Very low38.3Very low98 Ų98136.4 Ų136.469%0.68571%0.708SS**  cis-157.6139.1-11.545.70000106.6
1014V37Very low38.8Very low132 Ų132135.5 Ų135.580%0.871%0.712SS**  cis72.196.549.3-177.30000113.9
1015S37.8Very low39.2Very low116 Ų116138.2 Ų138.281%0.81172%0.718SS**  trans178.9146.4146.4-87.60000112.9
1016V33.6Very low39.7Very low119 Ų119136 Ų13672%0.72172%0.72SS**  cis-167.5165.1-21.481.20000110.5
1017K35.7Very low39.9Very low191 Ų191137 Ų13783%0.8373%0.73SS**  trans68.8142.4165.5-84.6178.4176.61760117
1018V38.3Very low40.3Very low115 Ų115137.4 Ų137.470%0.69773%0.732SS**  cis-145.1119.8-4.6146.90000105.2
1019K41.9Very low40.5Very low183 Ų183138.1 Ų138.180%0.79673%0.732SS**  73140.276.1-179.5-158.7-174.5-171.30113.9
1020P42.3Very low40.6Very low113 Ų113141.1 Ų141.173%0.73474%0.735SS**  cis-111.4-128.7-24.728.9-4.8000109.5
1021K40.2Very low40.8Very low171 Ų171140.1 Ų140.174%0.74373%0.733SS**  cis-166.7155.7-15.1-131.9-159.1166.4-176.20105.7
1022T45.6Very low40.7Very low115 Ų115141.5 Ų141.571%0.70674%0.741SS**  cis77.9149.8-1.470.10000119.9
1023P47.4Very low40.3Very low103 Ų103142.2 Ų142.267%0.66974%0.742SS**  cis-84.8-137.4-8.85.317.9000111.5
1024V44Very low40.1Very low122 Ų122143.3 Ų143.374%0.73975%0.747SS**  cis-150.9149.88.7-163.80000106.1
1025K44.4Very low40.1Very low187 Ų187144 Ų14481%0.81375%0.745SS**  cis93157.522.6-54-162.6179.4-172.20113.8
1026P43.6Very low40.1Very low115 Ų115144.9 Ų144.975%0.74774%0.741SS**  -145.8-140.4-104.941.5-16.2000115.4
1027V41.7Very low40.2Very low115 Ų115146.4 Ų146.470%0.69774%0.74SS**  trans92.7119.8168.6-173.40000114.9
1028Q42Very low40.3Very low160 Ų160142.9 Ų142.975%0.74873%0.73SS**  cis103.7143.211.3-161.2-171.734.100114.7
1029K41Very low40.3Very low164 Ų164144.9 Ų144.971%0.71373%0.732SS**  trans85.9148.5171.8-55.1177.4-179172.70116.1
1030R38Very low39.9Very low199 Ų199143 Ų14375%0.75173%0.731SS**  cis-176.1150.7-13.5-111.3177.7165.4-158.6-1.7111.2
1031I41Very low39.7Very low114 Ų114142 Ų14259%0.58573%0.726SS**  trans70.3156.6135.9-72.6178.3000118.5
1032E38.7Very low39.5Very low171 Ų171141 Ų14180%0.79973%0.728SS**  cis-135.5-169.85.5-152.3102.9-112.600112.9
1033K32.6Very low39.1Very low183 Ų183141.6 Ų141.680%0.79672%0.723SS**  trans-112.1161171.4-68.8-178.7178.6-179.60112.1
1034P36.1Very low38.5Very low122 Ų122143.5 Ų143.579%0.79273%0.728SS**  -120-153.9119.4-5.326.6000112.7
1035L35.6Very low38.5Very low146 Ų146145.2 Ų145.276%0.76473%0.727SS**  -160.8-172.8-81.1-162.955.8000108.7
1036D37.6Very low38.2Very low134 Ų134142.4 Ų142.472%0.71773%0.731SS**  trans68.4147.8158.6-56-41.4000119.7
1037Q36.5Very low38Very low152 Ų152141.7 Ų141.771%0.7173%0.729SS**  cis-167.3143-16.4165.3177.27.800110.7
1038D38.4Very low38Very low116 Ų116141.4 Ų141.462%0.6273%0.728SS**  trans56.4164.7157.6-71.3-16.6000121.9
1039Q38.5Very low37.7Very low157 Ų157141.1 Ų141.173%0.73473%0.731SS**  cis-150.9155.4-9.1-125.9170.971.700114
1040N33.8Very low37.8Very low144 Ų144138.8 Ų138.877%0.7773%0.732SS**  trans0.6136.4151.3-108.2-26.8000122.6
1041S36.6Very low38.1Very low91 Ų91139.4 Ų139.464%0.63673%0.734SS**  157143.193.256.70000116.3
1042L36.8Very low38.2Very low151 Ų151140.9 Ų140.979%0.79175%0.751SS**  trans59155.7150-59.6158.7000119.8
1043Q35.9Very low38.2Very low128 Ų128135.5 Ų135.560%0.59874%0.736SS**  cis-162.7110-27.3171.1176-32.600110.8
1044N35.5Very low38.7Very low143 Ų143136 Ų13677%0.76574%0.738SS**  trans54.4-179.3150.7-71.9-37.2000121.8
1045H44.5Very low38.9Very low158 Ų158134.4 Ų134.473%0.73173%0.73SS**  trans81106.9161.7-40.7-69.2000117.8
1046S37.1Very low39.1Very low127 Ų127134.4 Ų134.489%0.88873%0.73SS**  trans-91.7129.4176.3178.30000112.3
1047S40.5Very low39.1Very low101 Ų101136.9 Ų136.971%0.70673%0.73SS**  trans-160.2112.9162.8-166.20000114.8
1048T41.4Very low39.4Very low109 Ų109137 Ų13767%0.66973%0.728SS**  56.7104.2128.8-40.70000121
1049L36.5Very low39.6Very low154 Ų154137.5 Ų137.581%0.80674%0.736SS**  trans71.2165.8157.3-61170.8000116.4
1050P41.9Very low39.9Very low114 Ų114137.4 Ų137.474%0.7474%0.739SS**  cis-126.9-179.22.241.5-25.7000116.5
1051R44Very low41Very low213 Ų213136.6 Ų136.680%0.80474%0.742SS**  trans-27.9141.3171-48.5165.5179.9168.7-2.5117.2A1053R1051-A1053 HydrophobicContact CB-CB 3.74Å; R1051-A1053 HydrophobicContact CG-CB 4.41Å; R1051-A1053 PolarHBondContact O-N 3.25Å
1052P44.7Very low41.1Very low145 Ų145136.5 Ų136.594%0.94275%0.747SS**  trans-74.195.1142.431.8-29.8000108.8
1053A37.4Very low41.3Very low58 Ų58133.4 Ų133.448%0.47974%0.743SS.*  trans-146.2139.3176.100000111R1051R1051-A1053 HydrophobicContact CB-CB 3.74Å; R1051-A1053 HydrophobicContact CG-CB 4.41Å; R1051-A1053 PolarHBondContact O-N 3.25Å
1054K44.1Very low41.7Very low194 Ų194135.7 Ų135.784%0.84375%0.754SS**  trans74.1110.9-159.9-60.1179177.5-179.70110.5
1055S40.3Very low42Very low87 Ų87134.5 Ų134.561%0.60875%0.747SS**  7415057.278.90000112.7
1056N38.4Very low41.8Very low146 Ų146132 Ų13278%0.78174%0.739SS**  trans78.9147.6179-52.8-30.3000112.3
1057R38.5Very low42Very low186 Ų186132.8 Ų132.870%0.70273%0.729SS**  cis176.3159.4-6.8167-169.6-173.9-153.75.3106.4
1058F42.6Very low41.9Very low155 Ų155135.3 Ų135.368%0.6873%0.731SS**  trans69.2156179-47.3-65000114.5
1059T43.7Very low41.7Very low126 Ų126134.9 Ų134.977%0.77373%0.728SS**  cis-156.5171.7-37.816.30000107.5
1060L44.9Very low41.7Very low155 Ų155133.4 Ų133.481%0.81273%0.731SS**  trans-47.7151.5172.5-58.4168.2000113.9
1061P55.4Low41.4Very low128 Ų128136 Ų13683%0.83173%0.733SS**  -104.6174.6106.830.7-35.7000112.7
1062A38.9Very low41.3Very low88 Ų88133.2 Ų133.273%0.72773%0.733SS**  trans-120.9165.2-164.400000113.8
1063A40.8Very low40.9Very low87 Ų87131.6 Ų131.672%0.71972%0.721SS**  trans66150.617200000116
1064Q45.1Very low41.1Very low175 Ų175135.6 Ų135.682%0.81873%0.731SS**  cis-146158-8.7-123157.8-83.900110.2
1065N41.7Very low40.8Very low118 Ų118132.5 Ų132.563%0.63172%0.724SS**  trans-2.5152.1134.9-90.836.9000118.7
1066N41Very low40.6Very low105 Ų105132.8 Ų132.856%0.56173%0.726SS**  cis-171.8146.8-9-155.724000110
1067Q41.2Very low40.9Very low145 Ų145132.9 Ų132.968%0.67873%0.726SS**  trans57.3166.3154.1-73170-16.200117.8
1068M38.4Very low41.2Very low153 Ų153129.9 Ų129.975%0.75473%0.73SS**  cis-144.9144.9-13.5-131.1163.2-175.900111.7
1069V36.8Very low41.2Very low100 Ų100131 Ų13161%0.60673%0.73SS**  trans17.6121.7140.4-1790000119.2
1070S35.2Very low41.3Very low123 Ų123131.3 Ų131.386%0.8673%0.734SS**  trans-157.3131.5130.7-83.60000109.8
1071H35.7Very low41.1Very low170 Ų170130.5 Ų130.579%0.78774%0.735SS**  trans-105.7124.4-170.8-62.4-88000111.4
1072L41.8Very low40.1Very low154 Ų154129.9 Ų129.981%0.80673%0.734SS**  trans-130.6116.4172.8-87.2170.6000111.7
1073T37.1Very low40.1Very low110 Ų110131.3 Ų131.368%0.67574%0.739SS**  trans65.3173.9150.359.60000119.5
1074M41.7Very low40Very low143 Ų143134.4 Ų134.470%0.70474%0.742SS**  trans89.8106.1159.8-53.1-50.7169.800120
1075N38.5Very low39.8Very low129 Ų129132 Ų13269%0.6973%0.731SS**  74.397.2120.5-57.4-13.4000120.4
1076S35.7Very low39.7Very low93 Ų93134.8 Ų134.865%0.6573%0.733SS**  41.6127115.368.60000120.8
1077L43.5Very low39.6Very low148 Ų148137.3 Ų137.378%0.77575%0.746SS**  trans71.7150.3163.1-84.883.4000114.5
1078P46.2Very low39.6Very low123 Ų123141.4 Ų141.480%0.79976%0.755SS**  cis-127.6169.344.239.4-24.2000117.6
1079R41.7Very low39.7Very low179 Ų179138.9 Ų138.968%0.67575%0.751SS**  trans-73.7139.5177.5-62.3174172.7-176.7-4111.8V1081R1079-V1081 PolarHBondContact O-N 3.26Å
1080P45.9Very low40.1Very low132 Ų132139.6 Ų139.686%0.85776%0.755SS**  trans-74.6111.3163.330.2-31.6000110.2
1081V41.1Very low40.4Very low138 Ų138142.6 Ų142.684%0.83676%0.755SS**  trans-80.8146.2169.3-71.70000111R1079R1079-V1081 PolarHBondContact O-N 3.26Å
1082S34.1Very low40.7Very low114 Ų114139.1 Ų139.180%0.79776%0.756SS**  trans-80.2121.6-179.450.10000112.3
1083S38.3Very low40.5Very low119 Ų119139.6 Ų139.683%0.83276%0.759SS**  trans-163.1111.4154.8-88.20000114.6
1084L40.6Very low41Very low152 Ų152139.4 Ų139.480%0.79676%0.76SS**  62.8101.8128-149.669.7000121
1085E40.9Very low41.5Very low124 Ų124136.5 Ų136.558%0.57976%0.759SS**  trans81.7113.9137-76.2-161.3116.800123.7
1086R38.3Very low42.3Very low177 Ų177136.7 Ų136.767%0.66877%0.767SS**  86.794.1116.2-168.6-157.7-60.1133.4-13.1117.9
1087N38.5Very low43.5Very low157 Ų157136.3 Ų136.384%0.8477%0.77SS**  -166179.3109.5-98.5-59.2000112.7
1088R42.4Very low44.9Very low231 Ų231134.7 Ų134.787%0.87277%0.768SS**  trans-129-176.5-163.6-119.3-171.3-153.6-105.42109.9
1089P39.2Very low46.3Very low101 Ų101136.3 Ų136.366%0.65676%0.763SS**  cis-143.1-175.8-3.527.7-1.7000117.7
1090V46.5Very low48.4Very low115 Ų115129.9 Ų129.970%0.69775%0.752SS**  trans109.6135.7148.6-168.40000117.6
1091E41.7Very low50.3Low185 Ų185129.3 Ų129.386%0.86474%0.738SS**  trans43.992.8165.5-74.1169.3115.900122.8
1092A41.3Very low52.4Low97 Ų97126 Ų12680%0.80272%0.721SS**  -154.8161.9126.900000108.5P1094A1092-P1094 VanDerWaalsContact O-CD 3.25Å; A1092-P1094 WeakPolarHBondContact O-CD 3.31Å
1093N36.8Very low54.8Low164 Ų164123.4 Ų123.488%0.87770%0.701SS**  trans-119.377.5-168.3-171.221.8000114.9
1094P47.5Very low57.2Low106 Ų106120 Ų12069%0.68867%0.673SS**  trans-82.3161.616635-34000112A1092A1092-P1094 VanDerWaalsContact O-CD 3.25Å; A1092-P1094 WeakPolarHBondContact O-CD 3.31Å
1095A52.3Low59.6Low83 Ų83119.2 Ų119.269%0.68666%0.659SS**  trans-54.6150.2-178.200000113.6A1097A1095-A1097 PolarHBondContact O-N 3.36Å
1096P55.1Low61.8Low132 Ų132123.8 Ų123.886%0.85767%0.671SS**  trans-62.4108-176.725.4-34.8000111.4
1097A61.9Low64.3Low86 Ų86118.9 Ų118.971%0.71166%0.661SS**  trans-58.2141.9178.100000111.2A1095A1095-A1097 PolarHBondContact O-N 3.36Å
1098P73.2Confident66.8Low113 Ų113112.4 Ų112.473%0.73463%0.631SS**  trans-59.6150.5-177.724.7-34.4000111.7G1100P1098-G1100 PolarHBondContact O-N 2.84Å
1099F75.5Confident69.1Low158 Ų158106.2 Ų106.269%0.69361%0.611SS**  trans-48.2111.3-173.7-70.9-77.8000112.4T1103 L1104F1099-T1103 HydrophobicContact CD1-CG2 3.81Å; F1099-T1103 HydrophobicContact CE1-CG2 4.48Å; F1099-L1104 HydrophobicContact CB-CD2 3.97Å; F1099-L1104 HydrophobicContact CB-CG 4.21Å; F1099-L1104 VanDerWaalsContact O-CD1 3.29Å; F1099-L1104 WeakPolarHBondContact O-CD1 3.1Å; F1099-L1104 WeakPolarHBondContact O-CG 3.38Å
1100G86.4Confident71.6Confident44 Ų44106.2 Ų106.245%0.45460%0.6SS.*  trans-58.6153.7-17900000112.7P1098 S1102 T1103 L1104P1098-G1100 PolarHBondContact O-N 2.84Å; G1100-S1102 PolarHBondContact O-N 3.48Å; G1100-T1103 WeakPolarHBondContact O-CA 3.38Å; G1100-T1103 WeakPolarHBondContact O-CB 3.46Å; G1100-T1103 PolarHBondContact O-N 2.85Å; G1100-L1104 PolarHBondContact O-N 3.23Å; G1100-L1104 VanDerWaalsContact O-N 3.13Å
1101Q84.4Confident73.8Confident119 Ų119106.9 Ų106.956%0.55660%0.596SS**Hα-helixtrans-55.1-25-172.3-158.8-143.962.600114.6R1105Q1101-R1105 WeakPolarHBondContact O-CG 3.07Å; Q1101-R1105 PolarHBondContact O-N 3.16Å; Q1101-R1105 PolarHBondContact O-NE 3.15Å
1102S84.7Confident76.3Confident69 Ų69105.5 Ų105.548%0.48358%0.583SS.*Hα-helixtrans-74.1-34172.7-1690000113.1G1100 R1106G1100-S1102 PolarHBondContact O-N 3.48Å; S1102-R1106 WeakPolarHBondContact O-CB 3.49Å; S1102-R1106 VanDerWaalsContact O-CG 3.26Å; S1102-R1106 WeakPolarHBondContact O-CG 3.28Å; S1102-R1106 PolarHBondContact O-N 3.43Å
1103T85.6Confident78.6Confident60 Ų60105.9 Ų105.937%0.36857%0.569SS.*Hα-helixtrans-73.3-42.9175.1-510000110.4F1099 G1100 R1105 R1106 T1107F1099-T1103 HydrophobicContact CD1-CG2 3.81Å; F1099-T1103 HydrophobicContact CE1-CG2 4.48Å; G1100-T1103 WeakPolarHBondContact O-CA 3.38Å; G1100-T1103 WeakPolarHBondContact O-CB 3.46Å; G1100-T1103 PolarHBondContact O-N 2.85Å; T1103-R1105 PolarHBondContact O-N 3.29Å; T1103-R1106 PolarHBondContact O-N 3.35Å; T1103-T1107 HydrophobicContact CG2-CG2 4.02Å; T1103-T1107 PolarHBondContact O-N 3.15Å; T1103-T1107 PolarHBondContact O-OG1 2.86Å; T1103-T1107 VanDerWaalsContact O-OG1 3.06Å
1104L88.9Confident81.2Confident48 Ų48102.7 Ų102.725%0.25155%0.552SS.*Hα-helixtrans-56-35.7174.7-64.7171.3000112.4F1099 G1100 F1109 K1110F1099-L1104 HydrophobicContact CB-CD2 3.97Å; F1099-L1104 HydrophobicContact CB-CG 4.21Å; F1099-L1104 VanDerWaalsContact O-CD1 3.29Å; F1099-L1104 WeakPolarHBondContact O-CD1 3.1Å; F1099-L1104 WeakPolarHBondContact O-CG 3.38Å; G1100-L1104 PolarHBondContact O-N 3.23Å; G1100-L1104 VanDerWaalsContact O-N 3.13Å; L1104-F1109 HydrophobicContact CD2-CD1 3.67Å; L1104-F1109 HydrophobicContact CD2-CE1 4.28Å; L1104-F1109 PolarHBondContact O-N 3.48Å; L1104-K1110 HydrophobicContact CB-CB 4.33Å; L1104-K1110 WeakPolarHBondContact O-CB 3.46Å; L1104-K1110 PolarHBondContact O-N 2.97Å
1105R89.7Confident83.2Confident135 Ų135100.2 Ų100.251%0.50954%0.54SS..Hα-helixtrans-70-53.2169.4-76.1-174.1-86.4162.9-10.7112.2Q1101 T1103 T1107 G1108 K1110Q1101-R1105 WeakPolarHBondContact O-CG 3.07Å; Q1101-R1105 PolarHBondContact O-N 3.16Å; Q1101-R1105 PolarHBondContact O-NE 3.15Å; T1103-R1105 PolarHBondContact O-N 3.29Å; R1105-T1107 VanDerWaalsContact C-N 3.26Å; R1105-T1107 PolarHBondContact O-N 2.96Å; R1105-G1108 PolarHBondContact O-N 3.03Å; R1105-G1108 VanDerWaalsContact O-N 3.13Å; R1105-K1110 HydrophobicContact CG-CD 4.26Å
1106R88.2Confident85.2Confident220 Ų220102.5 Ų102.583%0.8354%0.535SS*.Hα-helixtrans-67-16.6-174.2-70.2-179.583.6-152.14.6115.5S1102 T1103S1102-R1106 WeakPolarHBondContact O-CB 3.49Å; S1102-R1106 VanDerWaalsContact O-CG 3.26Å; S1102-R1106 WeakPolarHBondContact O-CG 3.28Å; S1102-R1106 PolarHBondContact O-N 3.43Å; T1103-R1106 PolarHBondContact O-N 3.35Å
1107T89.8Confident86.9Confident74 Ų74101.3 Ų101.345%0.45452%0.518SS..THydrogen-bonded Turntrans-98.77.1175.559.90000113.8T1103 R1105 F1109 R1112T1103-T1107 HydrophobicContact CG2-CG2 4.02Å; T1103-T1107 PolarHBondContact O-N 3.15Å; T1103-T1107 PolarHBondContact O-OG1 2.86Å; T1103-T1107 VanDerWaalsContact O-OG1 3.06Å; R1105-T1107 VanDerWaalsContact C-N 3.26Å; R1105-T1107 PolarHBondContact O-N 2.96Å; T1107-F1109 PolarHBondContact O-N 2.94Å; T1107-F1109 WeakPolarHBondContact OG1-CB 3.43Å; T1107-R1112 PolarHBondContact O-NH2 3.32Å
1108G91.4Very high88.2Confident21 Ų21104 Ų10422%0.21652%0.515CS..THydrogen-bonded Turntrans5817.5-172.500000113.7R1105 E1111 R1112R1105-G1108 PolarHBondContact O-N 3.03Å; R1105-G1108 VanDerWaalsContact O-N 3.13Å; G1108-E1111 WeakPolarHBondContact CA-OE2 3.39Å; G1108-R1112 WeakPolarHBondContact O-CB 3.4Å; G1108-R1112 WeakPolarHBondContact O-CG 3.28Å; G1108-R1112 PolarHBondContact O-N 3.28Å; G1108-R1112 PolarHBondContact O-NE 3.09Å; G1108-R1112 VanDerWaalsContact O-NE 3.14Å
1109F91.3Very high89.1Confident100 Ų100103.9 Ų103.944%0.43951%0.505SS..Hα-helixtrans-79.9-34.8-176.9-172.3-93.4000111.2L1104 T1107 E1111 M1113L1104-F1109 HydrophobicContact CD2-CD1 3.67Å; L1104-F1109 HydrophobicContact CD2-CE1 4.28Å; L1104-F1109 PolarHBondContact O-N 3.48Å; T1107-F1109 PolarHBondContact O-N 2.94Å; T1107-F1109 WeakPolarHBondContact OG1-CB 3.43Å; F1109-E1111 VanDerWaalsContact C-N 3.32Å; F1109-M1113 HydrophobicContact CD1-CE 4.03Å; F1109-M1113 HydrophobicContact CE1-CE 3.48Å; F1109-M1113 VanDerWaalsContact CE1-CE 3.48Å; F1109-M1113 HydrophobicContact CZ-CE 4.39Å; F1109-M1113 VanDerWaalsContact O-CB 3.29Å; F1109-M1113 WeakPolarHBondContact O-CB 3.29Å; F1109-M1113 PolarHBondContact O-N 2.68Å
1110K91.9Very high89.7Confident101 Ų101102 Ų10244%0.43950%0.498SS..Hα-helixtrans-61.9-42.3171.2-164.3-164.9176-160.80111.1L1104 R1105 M1113 L1114L1104-K1110 HydrophobicContact CB-CB 4.33Å; L1104-K1110 WeakPolarHBondContact O-CB 3.46Å; L1104-K1110 PolarHBondContact O-N 2.97Å; R1105-K1110 HydrophobicContact CG-CD 4.26Å; K1110-M1113 PolarHBondContact O-N 3.49Å; K1110-L1114 WeakPolarHBondContact O-CB 3.47Å; K1110-L1114 PolarHBondContact O-N 3.07Å
1111E91.8Very high89.8Confident129 Ų129105.8 Ų105.860%0.60351%0.505SS*.Hα-helixtrans-69.3-43.3179.5-71.2145.4166.200111.4G1108 F1109 M1113 L1114 A1115G1108-E1111 WeakPolarHBondContact CA-OE2 3.39Å; F1109-E1111 VanDerWaalsContact C-N 3.32Å; E1111-M1113 VanDerWaalsContact C-N 3.33Å; E1111-M1113 PolarHBondContact O-N 2.89Å; E1111-L1114 PolarHBondContact O-N 3.17Å; E1111-A1115 VanDerWaalsContact O-CB 3.28Å; E1111-A1115 WeakPolarHBondContact O-CB 3.43Å; E1111-A1115 PolarHBondContact O-N 3.31Å
1112R94.2Very high90Very high157 Ų157104.5 Ų104.559%0.59250%0.499SS*.Hα-helixtrans-62.3-36.2172.5-76.5-179.8-73.5166-7.6113.4T1107 G1108 K1116T1107-R1112 PolarHBondContact O-NH2 3.32Å; G1108-R1112 WeakPolarHBondContact O-CB 3.4Å; G1108-R1112 WeakPolarHBondContact O-CG 3.28Å; G1108-R1112 PolarHBondContact O-N 3.28Å; G1108-R1112 PolarHBondContact O-NE 3.09Å; G1108-R1112 VanDerWaalsContact O-NE 3.14Å; R1112-K1116 WeakPolarHBondContact O-CB 3.28Å; R1112-K1116 PolarHBondContact O-N 3.23Å
1113M90.8Very high90Very high104 Ų104106.1 Ų106.151%0.51250%0.498SS..Hα-helixtrans-65.5-48.9174.3-176.5-173.5-63.900111.1F1109 K1110 E1111 A1115 K1116 E1117F1109-M1113 HydrophobicContact CD1-CE 4.03Å; F1109-M1113 HydrophobicContact CE1-CE 3.48Å; F1109-M1113 VanDerWaalsContact CE1-CE 3.48Å; F1109-M1113 HydrophobicContact CZ-CE 4.39Å; F1109-M1113 VanDerWaalsContact O-CB 3.29Å; F1109-M1113 WeakPolarHBondContact O-CB 3.29Å; F1109-M1113 PolarHBondContact O-N 2.68Å; K1110-M1113 PolarHBondContact O-N 3.49Å; E1111-M1113 VanDerWaalsContact C-N 3.33Å; E1111-M1113 PolarHBondContact O-N 2.89Å; M1113-A1115 PolarHBondContact O-N 3.42Å; M1113-K1116 PolarHBondContact O-N 3.16Å; M1113-E1117 PolarHBondContact O-N 3.21Å
1114L90.5Very high89.9Confident98 Ų98105.4 Ų105.451%0.51350%0.499SS..Hα-helixtrans-65.2-39.2-179.9-157.177.8000112K1110 E1111 E1117 Q1118K1110-L1114 WeakPolarHBondContact O-CB 3.47Å; K1110-L1114 PolarHBondContact O-N 3.07Å; E1111-L1114 PolarHBondContact O-N 3.17Å; L1114-E1117 PolarHBondContact O-N 2.97Å; L1114-Q1118 WeakPolarHBondContact O-CB 3.25Å; L1114-Q1118 PolarHBondContact O-N 3.23Å
1115A90.4Very high89.5Confident54 Ų54108.1 Ų108.145%0.44651%0.513SS..Hα-helixtrans-66.6-36.9174.600000112.2E1111 M1113 Q1118 Q1119E1111-A1115 VanDerWaalsContact O-CB 3.28Å; E1111-A1115 WeakPolarHBondContact O-CB 3.43Å; E1111-A1115 PolarHBondContact O-N 3.31Å; M1113-A1115 PolarHBondContact O-N 3.42Å; A1115-Q1118 PolarHBondContact O-N 3.25Å; A1115-Q1119 WeakPolarHBondContact O-CB 3.45Å; A1115-Q1119 PolarHBondContact O-N 3.47Å
1116K93.6Very high89.1Confident130 Ų130109.4 Ų109.457%0.56552%0.518SS*.Hα-helixtrans-66.3-44.7172.9-169.9-165.8170.2-1590111.2R1112 M1113 Q1118 Q1119 E1120R1112-K1116 WeakPolarHBondContact O-CB 3.28Å; R1112-K1116 PolarHBondContact O-N 3.23Å; M1113-K1116 PolarHBondContact O-N 3.16Å; K1116-Q1118 VanDerWaalsContact C-N 3.3Å; K1116-Q1118 PolarHBondContact O-N 3.15Å; K1116-Q1119 WeakPolarHBondContact O-CB 3.39Å; K1116-Q1119 PolarHBondContact O-N 2.68Å; K1116-E1120 WeakPolarHBondContact O-CB 3.46Å; K1116-E1120 PolarHBondContact O-N 3.41Å
1117E90.9Very high88.5Confident108 Ų108104.4 Ų104.451%0.50551%0.506SS..Hα-helixtrans-59-41.7175.8-177.8176.6-162.400111.5M1113 L1114 E1120 Q1121M1113-E1117 PolarHBondContact O-N 3.21Å; L1114-E1117 PolarHBondContact O-N 2.97Å; E1117-E1120 PolarHBondContact O-N 3.4Å; E1117-Q1121 PolarHBondContact O-N 3.35Å
1118Q89.9Confident87.5Confident141 Ų141109.9 Ų109.966%0.65952%0.519SS*.Hα-helixtrans-66.4-39.7174.2-168.2174.316.500112.6L1114 A1115 K1116 E1120 Q1121 E1122L1114-Q1118 WeakPolarHBondContact O-CB 3.25Å; L1114-Q1118 PolarHBondContact O-N 3.23Å; A1115-Q1118 PolarHBondContact O-N 3.25Å; K1116-Q1118 VanDerWaalsContact C-N 3.3Å; K1116-Q1118 PolarHBondContact O-N 3.15Å; Q1118-E1120 VanDerWaalsContact C-N 3.33Å; Q1118-Q1121 PolarHBondContact O-N 3.23Å; Q1118-E1122 PolarHBondContact O-N 3.09Å
1119Q91.1Very high86.1Confident112 Ų112113 Ų11352%0.52353%0.533SS..Hα-helixtrans-65.3-35.8173.6-170.8-174.91600111.9A1115 K1116 E1122 Q1123A1115-Q1119 WeakPolarHBondContact O-CB 3.45Å; A1115-Q1119 PolarHBondContact O-N 3.47Å; K1116-Q1119 WeakPolarHBondContact O-CB 3.39Å; K1116-Q1119 PolarHBondContact O-N 2.68Å; Q1119-E1122 PolarHBondContact O-N 3.37Å; Q1119-Q1123 WeakPolarHBondContact O-CG 3.5Å; Q1119-Q1123 PolarHBondContact O-N 3.48Å
1120E89.1Confident84.7Confident117 Ų117112.6 Ų112.655%0.54754%0.543SS..Hα-helixtrans-70.6-37.9176.9-164165.8152.400111.1K1116 E1117 Q1118 Q1123 A1124K1116-E1120 WeakPolarHBondContact O-CB 3.46Å; K1116-E1120 PolarHBondContact O-N 3.41Å; E1117-E1120 PolarHBondContact O-N 3.4Å; Q1118-E1120 VanDerWaalsContact C-N 3.33Å; E1120-Q1123 PolarHBondContact O-N 3.07Å; E1120-A1124 WeakPolarHBondContact O-CB 3.46Å; E1120-A1124 PolarHBondContact O-N 2.81Å
1121Q88.3Confident82.7Confident125 Ų125113 Ų11358%0.58455%0.553SS**Hα-helixtrans-62.4-42.8167.5-74-1706.700112.4E1117 Q1118 A1124 L1125E1117-Q1121 PolarHBondContact O-N 3.35Å; Q1118-Q1121 PolarHBondContact O-N 3.23Å; Q1121-A1124 PolarHBondContact O-N 2.79Å; Q1121-L1125 WeakPolarHBondContact O-CB 3.49Å; Q1121-L1125 WeakPolarHBondContact O-CG 3.32Å; Q1121-L1125 PolarHBondContact O-N 2.98Å
1122E87.3Confident80.5Confident92 Ų92113.4 Ų113.443%0.4356%0.56SS.*Hα-helixtrans-65-39.7177.2-156.9-158.5138.200111.7Q1118 Q1119 L1125 R1126Q1118-E1122 PolarHBondContact O-N 3.09Å; Q1119-E1122 PolarHBondContact O-N 3.37Å; E1122-L1125 PolarHBondContact O-N 2.75Å; E1122-R1126 WeakPolarHBondContact O-CB 3.3Å; E1122-R1126 WeakPolarHBondContact O-CG 3.35Å; E1122-R1126 PolarHBondContact O-N 3.36Å; E1122-R1126 IonicContact OE1-CZ 3.15Å; E1122-R1126 IonicContact OE1-NE 2.8Å; E1122-R1126 PolarHBondContact OE1-NE 3.26Å; E1122-R1126 IonicContact OE1-NH2 2.67Å; E1122-R1126 PolarHBondContact OE1-NH2 3.45Å
1123Q85.3Confident77.9Confident103 Ų103113.8 Ų113.848%0.48157%0.568SS.*Hα-helixtrans-64.3-43.2173.3-73.8-178.636.400111.9Q1119 E1120 L1125 R1126 I1127Q1119-Q1123 WeakPolarHBondContact O-CG 3.5Å; Q1119-Q1123 PolarHBondContact O-N 3.48Å; E1120-Q1123 PolarHBondContact O-N 3.07Å; Q1123-L1125 VanDerWaalsContact C-N 3.31Å; Q1123-L1125 PolarHBondContact O-N 3.3Å; Q1123-R1126 PolarHBondContact O-N 3.45Å; Q1123-I1127 WeakPolarHBondContact O-CB 3.22Å; Q1123-I1127 VanDerWaalsContact O-CG1 3.25Å; Q1123-I1127 WeakPolarHBondContact O-CG1 3.22Å; Q1123-I1127 PolarHBondContact O-N 2.85Å
1124A82.8Confident75.5Confident45 Ų45113.8 Ų113.837%0.37258%0.579SS.*Hα-helixtrans-63.5-35.4175.600000112.6E1120 Q1121 R1128E1120-A1124 WeakPolarHBondContact O-CB 3.46Å; E1120-A1124 PolarHBondContact O-N 2.81Å; Q1121-A1124 PolarHBondContact O-N 2.79Å; A1124-R1128 WeakPolarHBondContact O-CB 3.43Å; A1124-R1128 VanDerWaalsContact O-CG 3.3Å; A1124-R1128 WeakPolarHBondContact O-CG 3.23Å; A1124-R1128 PolarHBondContact O-N 3.13Å; A1124-R1128 VanDerWaalsContact O-N 3.14Å
1125L81.4Confident73.4Confident105 Ų105116.9 Ų116.955%0.5559%0.594SS.*Hα-helixtrans-68.2-47.3172.1-74.5171.5000111.6Q1121 E1122 Q1123 I1127 R1128 V1129Q1121-L1125 WeakPolarHBondContact O-CB 3.49Å; Q1121-L1125 WeakPolarHBondContact O-CG 3.32Å; Q1121-L1125 PolarHBondContact O-N 2.98Å; E1122-L1125 PolarHBondContact O-N 2.75Å; Q1123-L1125 VanDerWaalsContact C-N 3.31Å; Q1123-L1125 PolarHBondContact O-N 3.3Å; L1125-I1127 PolarHBondContact O-N 3.48Å; L1125-R1128 PolarHBondContact O-N 2.87Å; L1125-R1128 VanDerWaalsContact O-N 3.15Å; L1125-V1129 WeakPolarHBondContact O-CG2 3.33Å; L1125-V1129 PolarHBondContact O-N 2.91Å
1126R81.5Confident71Confident161 Ų161120.3 Ų120.361%0.60861%0.611SS**Hα-helixtrans-58.1-46.1175.7-74.2-179.6-174.3-139.16.6111.6E1122 Q1123 R1128 V1129 S1130E1122-R1126 WeakPolarHBondContact O-CB 3.3Å; E1122-R1126 WeakPolarHBondContact O-CG 3.35Å; E1122-R1126 PolarHBondContact O-N 3.36Å; E1122-R1126 IonicContact OE1-CZ 3.15Å; E1122-R1126 IonicContact OE1-NE 2.8Å; E1122-R1126 PolarHBondContact OE1-NE 3.26Å; E1122-R1126 IonicContact OE1-NH2 2.67Å; E1122-R1126 PolarHBondContact OE1-NH2 3.45Å; Q1123-R1126 PolarHBondContact O-N 3.45Å; R1126-R1128 VanDerWaalsContact C-N 3.29Å; R1126-R1128 PolarHBondContact O-N 2.92Å; R1126-V1129 PolarHBondContact O-N 2.67Å; R1126-V1129 VanDerWaalsContact O-N 3.16Å; R1126-S1130 WeakPolarHBondContact O-CB 3.41Å; R1126-S1130 PolarHBondContact O-N 2.84Å; R1126-S1130 PolarHBondContact O-OG 3.12Å; R1126-S1130 VanDerWaalsContact O-OG 3.14Å
1127I75.2Confident68.4Low115 Ų115119.9 Ų119.959%0.5963%0.625SS**Hα-helixtrans-59.8-39.6176.7-68.7163.7000111.2Q1123 L1125 V1131Q1123-I1127 WeakPolarHBondContact O-CB 3.22Å; Q1123-I1127 VanDerWaalsContact O-CG1 3.25Å; Q1123-I1127 WeakPolarHBondContact O-CG1 3.22Å; Q1123-I1127 PolarHBondContact O-N 2.85Å; L1125-I1127 PolarHBondContact O-N 3.48Å; I1127-V1131 WeakPolarHBondContact O-CG2 3.25Å; I1127-V1131 PolarHBondContact O-N 2.83Å
1128R69.9Low65.9Low190 Ų190119.8 Ų119.872%0.71764%0.636SS**Hα-helixtrans-70.8-31.7176.1-75.1173.1176.2176.9-0.7113.8A1124 L1125 R1126A1124-R1128 WeakPolarHBondContact O-CB 3.43Å; A1124-R1128 VanDerWaalsContact O-CG 3.3Å; A1124-R1128 WeakPolarHBondContact O-CG 3.23Å; A1124-R1128 PolarHBondContact O-N 3.13Å; A1124-R1128 VanDerWaalsContact O-N 3.14Å; L1125-R1128 PolarHBondContact O-N 2.87Å; L1125-R1128 VanDerWaalsContact O-N 3.15Å; R1126-R1128 VanDerWaalsContact C-N 3.29Å; R1126-R1128 PolarHBondContact O-N 2.92Å
1129V62.1Low63.3Low87 Ų87117.2 Ų117.253%0.52764%0.639SS.*Hα-helixtrans-76.2-45.2176.1172.40000110.9L1125 R1126 V1131 N1132L1125-V1129 WeakPolarHBondContact O-CG2 3.33Å; L1125-V1129 PolarHBondContact O-N 2.91Å; R1126-V1129 PolarHBondContact O-N 2.67Å; R1126-V1129 VanDerWaalsContact O-N 3.16Å; V1129-V1131 PolarHBondContact O-N 3Å; V1129-V1131 VanDerWaalsContact O-N 3.09Å; V1129-N1132 PolarHBondContact O-N 3.34Å
1130S60.8Low60.9Low90 Ų90119.1 Ų119.163%0.62966%0.658SS**THydrogen-bonded Turntrans-69.1-3.8-178.9-610000115.2R1126R1126-S1130 WeakPolarHBondContact O-CB 3.41Å; R1126-S1130 PolarHBondContact O-N 2.84Å; R1126-S1130 PolarHBondContact O-OG 3.12Å; R1126-S1130 VanDerWaalsContact O-OG 3.14Å
1131V50.6Low58.9Low110 Ų110118 Ų11867%0.66767%0.669SS**THydrogen-bonded Turntrans-83.6-14.4169.9165.50000112.2I1127 V1129I1127-V1131 WeakPolarHBondContact O-CG2 3.25Å; I1127-V1131 PolarHBondContact O-N 2.83Å; V1129-V1131 PolarHBondContact O-N 3Å; V1129-V1131 VanDerWaalsContact O-N 3.09Å
1132N44.9Very low56.7Low138 Ų138117.6 Ų117.674%0.73868%0.677SS**SBendtrans-107.22.5-174.7-73.410.2000115V1129V1129-N1132 PolarHBondContact O-N 3.34Å
1133E39.2Very low54.6Low164 Ų164123 Ų12377%0.76670%0.699SS**  trans-126.175.3-177.8-69.9-168.7126.400112.7
1134S40.4Very low52.6Low105 Ų105123 Ų12373%0.73471%0.711SS**  trans-148.562.4171.2720000114
1135I46.7Very low51.2Low163 Ų163126.6 Ų126.684%0.83673%0.73SS**  trans-123.5113.3159-58.8-179.7000107.7
1136P40.7Very low49.7Very low125 Ų125126.6 Ų126.681%0.81274%0.737SS**  trans-79.9136.6178.232-33000110.7
1137S38.3Very low48Very low122 Ų122127.7 Ų127.785%0.85375%0.749SS**  trans-146.5136.6160.5-164.10000110.8
1138S39.4Very low46.5Very low105 Ų105127.7 Ų127.773%0.73476%0.759SS**  trans-92.8140-173.653.80000112.4
1139A35.4Very low45.5Very low87 Ų87127.9 Ų127.972%0.71977%0.765SS**  trans41.7110.8147.200000119.3
1140T39.5Very low44.6Very low152 Ų152129.3 Ų129.393%0.93378%0.776SS**  -169.7171.2113.319.40000111.9
1141A46.5Very low43.9Very low93 Ų93129.5 Ų129.577%0.76978%0.783SS**  trans-88.3163.4-172.200000113.5
1142P42.4Very low43.7Very low117 Ų117130 Ų13076%0.7679%0.788SS**  trans-96174.7-164.837.9-37.6000116.1
1143K44.3Very low43.8Very low205 Ų205128.6 Ų128.689%0.89179%0.787SS**  trans96.9136.4-175-59.8165.2-177.9177.90112.5
1144S42.7Very low43.8Very low105 Ų105125.5 Ų125.573%0.73478%0.784SS**  cis-160.7157.9-4.836.30000111.7
1145P52.5Low43.9Very low119 Ų119128 Ų12877%0.77379%0.787SS**  trans-83.2-175.2178.740-40.3000112.1
1146P50.9Low43.3Very low105 Ų105126.1 Ų126.168%0.68279%0.789SS**  cis-144.7-164.317.646.2-25.6000117.9
1147E44.9Very low43.3Very low184 Ų184123.6 Ų123.686%0.8679%0.785SS**  trans73.4145160.3-75.9177.8119.600119
1148S44.6Very low43.2Very low115 Ų115129.6 Ų129.680%0.80479%0.79SS**  cis-146.3174.45.557.60000115
1149K49Very low43.2Very low195 Ų195131.4 Ų131.485%0.84880%0.797SS**  trans-75.3-178.4-177.9-78.1175.5179.2173.50114.4
1150P43.7Very low43.1Very low116 Ų116131.2 Ų131.275%0.75380%0.795SS**  cis-143.2-172.7-38.739.3-20.9000115.3
1151A44.4Very low43Very low94 Ų94131.9 Ų131.978%0.77779%0.792SS**  trans108148.4140.200000120.8
1152P46.2Very low42.4Very low120 Ų120136 Ų13678%0.77979%0.793SS**  trans-127.6-150.2-172.248.2-30.5000111
1153P48.8Very low42.1Very low110 Ų110135.9 Ų135.971%0.71480%0.795SS**  cis-131.9-173-17.937.8-19000115
1154S39.1Very low41.8Very low99 Ų99132.8 Ų132.869%0.69279%0.793SS**  trans115.7144.9134.884.40000121
1155I42.6Very low41.7Very low157 Ų157135.4 Ų135.481%0.80579%0.791SS**  trans71.197152.5-63.9161.4000119.7
1156S33.8Very low41.2Very low124 Ų124136.2 Ų136.287%0.86779%0.794SS**  52.1117.9125.3-169.70000121.8
1157G41.2Very low40.6Very low71 Ų71136.9 Ų136.973%0.73279%0.788SS**  trans176.475162.300000115.7V1159G1157-V1159 PolarHBondContact O-N 2.97Å
1158Y34.7Very low40.4Very low248 Ų248135 Ų13597%0.97379%0.788SS**  trans-81.8101.2176.4-113.9-84.6000111.9
1159V40.5Very low40.2Very low144 Ų144136.8 Ų136.887%0.87378%0.782SS**  trans-140146.5165.1-169.80000109.5G1157G1157-V1159 PolarHBondContact O-N 2.97Å
1160A32.1Very low39.4Very low83 Ų83134.4 Ų134.469%0.68678%0.778SS**  trans-85.2138.9-16300000116.2
1161L37.6Very low39Very low166 Ų166137.3 Ų137.387%0.86978%0.781SS**  trans-119.7115.6154.2-58.2173.5000105.5
1162K34.5Very low38.5Very low179 Ų179140.7 Ų140.778%0.77878%0.781SS**  69.8113.755.8-67-167.5174.8-178.30114.3
1163S35Very low38.5Very low114 Ų114140.3 Ų140.380%0.79778%0.778SS**  trans69.9118.2152.8-54.60000119.4
1164T40.1Very low38Very low140 Ų140142.1 Ų142.186%0.85978%0.777SS**  -144.2131.2118.3-78.10000109V1166T1164-V1166 HydrophobicContact CG2-CG2 4.45Å
1165K39.2Very low37.8Very low160 Ų160141.9 Ų141.970%0.69677%0.772SS**  trans-116134.5179.6169.3-167168.1-162.20106.7E1167K1165-E1167 WeakPolarHBondContact CE-OE2 3.46Å; K1165-E1167 IonicContact NZ-OE2 3.88Å; K1165-E1167 PolarHBondContact NZ-OE2 2.94Å
1166V43.2Very low37.5Very low136 Ų136140.8 Ų140.882%0.82476%0.761SS**  trans-121141.7168.2-179.50000107.9T1164T1164-V1166 HydrophobicContact CG2-CG2 4.45Å
1167E36.5Very low37.9Very low120 Ų120140.8 Ų140.856%0.56176%0.758SS**  trans-134.1114.8-160.6179.2-177.8119.500111.4K1165K1165-E1167 WeakPolarHBondContact CE-OE2 3.46Å; K1165-E1167 IonicContact NZ-OE2 3.88Å; K1165-E1167 PolarHBondContact NZ-OE2 2.94Å
1168V41.9Very low37.7Very low143 Ų143143.3 Ų143.387%0.86776%0.759SS**  trans-147.2133164.3-171.50000107.4
1169K39.6Very low37.6Very low154 Ų154136.2 Ų136.267%0.6775%0.746SS**  cis162.7106.3-39.1172.5171.5-179.4171.20105.8
1170L33.9Very low37.1Very low145 Ų145136.2 Ų136.276%0.75974%0.74SS**  trans61.2116.1164.8-56.8167.7000117.9
1171Q33.9Very low37.3Very low176 Ų176138.7 Ų138.782%0.82274%0.737SS**  179.5120.594.1-165.771.320.900110.1
1172E34.7Very low37Very low166 Ų166137.6 Ų137.678%0.77674%0.738SS**  trans-129.1136.7175.9-177.4-176.9165.700109.6
1173P46.2Very low37Very low111 Ų111137.4 Ų137.472%0.72174%0.737SS**  trans-96.1140.3174.334.7-30.7000113.7
1174E38Very low36.9Very low148 Ų148139.6 Ų139.669%0.69274%0.738SS**  trans-55142.8175.7-72-151.812600113.9K1176E1174-K1176 IonicContact OE1-NZ 2.67Å; E1174-K1176 PolarHBondContact OE1-NZ 3.48Å; E1174-K1176 IonicContact OE2-NZ 3.35Å; E1174-K1176 PolarHBondContact OE2-NZ 3.16Å
1175T34.7Very low36.8Very low95 Ų95141.7 Ų141.758%0.58374%0.736SS**  cis83.914945.378.50000116.9
1176K36.5Very low36.7Very low133 Ų133139.6 Ų139.658%0.57874%0.738SS**  trans82.1153.4178.6-53.3135.4-162172.50114.5E1174 V1178E1174-K1176 IonicContact OE1-NZ 2.67Å; E1174-K1176 PolarHBondContact OE1-NZ 3.48Å; E1174-K1176 IonicContact OE2-NZ 3.35Å; E1174-K1176 PolarHBondContact OE2-NZ 3.16Å; K1176-V1178 HydrophobicContact CB-CG2 4.15Å; K1176-V1178 HydrophobicContact CG-CG2 4.12Å
1177P42.2Very low36.5Very low125 Ų125138.7 Ų138.781%0.81273%0.734SS**  cis-81.2153.44-1.421.5000112.7
1178V37.3Very low36.6Very low123 Ų123138 Ų13875%0.74574%0.737SS**  cis81123.938.4-179.70000113.6K1176K1176-V1178 HydrophobicContact CB-CG2 4.15Å; K1176-V1178 HydrophobicContact CG-CG2 4.12Å
1179S31.5Very low36.4Very low99 Ų99139.7 Ų139.769%0.69274%0.736SS**  trans-61.9166.2179-40.60000113.8
1180L30.9Very low36.5Very low144 Ų144138 Ų13875%0.75474%0.74SS**  172147.3111.1-89.1170.9000113.5
1181Q35.2Very low36.3Very low135 Ų135135.5 Ų135.563%0.63174%0.741SS**  trans56.998.5149.4-65.9172.129.700119.5K1183Q1181-K1183 PolarHBondContact O-N 3.4Å
1182V32.5Very low36.6Very low144 Ų144133.5 Ų133.587%0.87374%0.741SS**  trans-53.6124.6139.5176.10000108.2
1183K33.9Very low37.1Very low175 Ų175131.4 Ų131.476%0.76174%0.74SS**  trans-133.499.6174.5-164.5148.3-171.8166.80111.6Q1181Q1181-K1183 PolarHBondContact O-N 3.4Å
1184L33.4Very low36.8Very low159 Ų159132.3 Ų132.383%0.83275%0.745SS**  trans-58.4134.3170.3-62168.9000109.9
1185K37.8Very low37.1Very low184 Ų184130.6 Ų130.680%0.875%0.75SS**  trans-149.2103161.3-165.2167.7-175.7179.50110.7
1186P36.4Very low37.9Very low116 Ų116131.2 Ų131.275%0.75376%0.755SS**  trans-82.1138175.932.8-32.2000110.8
1187T39.2Very low38.7Very low118 Ų118130.5 Ų130.572%0.72476%0.764SS**  trans-153.378.3167.3-54.10000111
1188V39Very low39.3Very low106 Ų106130.1 Ų130.164%0.64276%0.762SS**  40.8113123.5-174.30000118.9
1189Q38.3Very low40.1Very low177 Ų177129.9 Ų129.983%0.82776%0.763SS**  trans70.8158.3147.1-70.8170.68.400120.9
1190P41.4Very low41.4Very low118 Ų118130.8 Ų130.877%0.76677%0.766SS**  cis-131177.7-27.734-15.8000114.7
1191A29.9Very low42.5Very low93 Ų93130 Ų13077%0.76977%0.77SS**  trans-44.6146.2-175.500000119.1
1192T40.5Very low42.9Very low134 Ų134128 Ų12882%0.82278%0.776SS**  trans-155.9114.8138.7-1.70000112.2
1193T44.2Very low43Very low123 Ų123129.3 Ų129.376%0.75578%0.778SS**  trans19.3120.7153.453.70000120.7
1194P40.1Very low43.4Very low130 Ų130129.9 Ų129.984%0.84478%0.783SS**PPolyproline II helixtrans-75.4140.3165.232.4-33.4000112
1195S44.3Very low43.6Very low112 Ų112128.1 Ų128.178%0.78378%0.781SS**PPolyproline II helixtrans-88.6136.7172.4-1720000111.1
1196P51.9Low43.4Very low108 Ų108125.3 Ų125.370%0.70178%0.779SS**PPolyproline II helixtrans-75.8146.6-17830.9-35.2000112.8
1197P53.9Low43.4Very low117 Ų117128.6 Ų128.676%0.7678%0.781SS**PPolyproline II helixtrans-68.1152170.929.7-34.4000111.8
1198P53.9Low43.1Very low118 Ų118129.7 Ų129.777%0.76679%0.788SS**PPolyproline II helixtrans-73.7153.8-171.230-36.3000113.7
1199P53.1Low42.8Very low117 Ų117132.7 Ų132.776%0.7680%0.801SS**PPolyproline II helixtrans-71.1149.9178.730.2-35.6000112.4
1200P58.9Low42.5Very low118 Ų118128.2 Ų128.277%0.76680%0.802SS**PPolyproline II helixtrans-66.1145.4173.328.6-34.5000111.3
1201P55.8Low42.1Very low127 Ų127125.8 Ų125.883%0.82580%0.798SS**PPolyproline II helixtrans-69.7137.5-173.727.9-35000112.5
1202A42.4Very low42.4Very low93 Ų93134 Ų13477%0.76981%0.809SS**PPolyproline II helixtrans-66.8139.9-178.900000112.8Q1204A1202-Q1204 PolarHBondContact O-N 2.92Å
1203L35.1Very low42.4Very low173 Ų173132.7 Ų132.791%0.90681%0.806SS**  trans-68.5112.9172.2-64.6172.5000109.9
1204Q41.2Very low42.3Very low187 Ų187129.5 Ų129.587%0.87480%0.797SS**  trans-89.1133.9167.2-69.2-156.5-4.500111A1202A1202-Q1204 PolarHBondContact O-N 2.92Å
1205P38.2Very low42.7Very low122 Ų122129.9 Ų129.979%0.79280%0.799SS**  trans-83.9143.2177.833.7-33.8000111.1
1206V34.4Very low43.1Very low124 Ų124130.9 Ų130.975%0.75280%0.801SS**  trans-156127.1156.8117.80000113.6
1207K35.9Very low43.6Very low186 Ų186129.6 Ų129.681%0.80980%0.8SS**  trans51.395.8152.6-63.7165.2-174.3176.70118.6
1208T32.2Very low44.3Very low141 Ų141127.9 Ų127.987%0.86579%0.788SS**  trans-46.8136.6142.848.70000112.2
1209N33.5Very low45.7Very low169 Ų169126.2 Ų126.290%0.90477%0.773SS**  trans-146.9155.1151.3-122.6-18.8000109.7
1210G31Very low47.3Very low83 Ų83125.3 Ų125.386%0.85677%0.767SS**  trans-69.6132.2-157.400000116.5
1211G34.2Very low48.7Very low66 Ų66128.1 Ų128.168%0.6876%0.762SS**  trans-16189.8170.300000110.9S1213G1211-S1213 VanDerWaalsContact C-N 3.33Å; G1211-S1213 PolarHBondContact O-N 3.48Å
1212R36.1Very low50.2Low265 Ų265124.1 Ų124.1100%174%0.738SS**  trans-83.566.2-167.4-166.4-171.8179.3-167.51113
1213S39.2Very low52.4Low108 Ų108125.3 Ų125.376%0.75573%0.727SS**  trans-125.3102.9170.555.60000110.7G1211G1211-S1213 VanDerWaalsContact C-N 3.33Å; G1211-S1213 PolarHBondContact O-N 3.48Å
1214G42.9Very low55Low56 Ų56122 Ų12258%0.57771%0.71SS**  trans-68.2166.4168.900000111.6T1216G1214-T1216 PolarHBondContact O-N 2.79Å
1215P48.3Very low57.4Low137 Ų137117.1 Ų117.189%0.8969%0.69SS**  trans-70.690.9-179.429.7-34.7000110.6A1217P1215-A1217 PolarHBondContact O-N 2.89Å
1216T53.5Low59.7Low133 Ų133114.1 Ų114.182%0.81667%0.667SS**PPolyproline II helixtrans-55.9123.9166.1-50.30000108G1214G1214-T1216 PolarHBondContact O-N 2.79Å
1217A61.7Low62.1Low81 Ų81111 Ų11167%0.66965%0.654SS**PPolyproline II helixtrans-55134.5173.700000109P1215 D1219P1215-A1217 PolarHBondContact O-N 2.89Å; A1217-D1219 PolarHBondContact O-N 3.13Å
1218P69.7Low64.5Low81 Ų81107.3 Ų107.353%0.52664%0.642SS.*PPolyproline II helixtrans-58.2132.7-177.224.3-33.6000109.4
1219D83.2Confident67.1Low84 Ų84109.5 Ų109.545%0.44964%0.635SS.*PPolyproline II helixtrans-52.5127175.9174.6-2.4000108A1217 R1221 S1222 Q1223A1217-D1219 PolarHBondContact O-N 3.13Å; D1219-R1221 PolarHBondContact O-N 3.29Å; D1219-R1221 WeakPolarHBondContact OD1-CB 3.33Å; D1219-R1221 PolarHBondContact OD1-N 3.34Å; D1219-S1222 PolarHBondContact N-OG 2.95Å; D1219-S1222 WeakPolarHBondContact O-CA 3.37Å; D1219-S1222 PolarHBondContact O-N 3.08Å; D1219-S1222 PolarHBondContact O-OG 2.84Å; D1219-Q1223 PolarHBondContact O-N 2.89Å
1220P86.7Confident69.6Low97 Ų97107.2 Ų107.263%0.6362%0.622SS**Hα-helixtrans-54.4-24.6176.421.9-33.9000112.5L1224P1220-L1224 VanDerWaalsContact O-CB 3.22Å; P1220-L1224 WeakPolarHBondContact O-CB 3.26Å; P1220-L1224 PolarHBondContact O-N 2.86Å
1221R86.7Confident72.1Confident177 Ų177109.8 Ų109.867%0.66861%0.61SS**Hα-helixtrans-71.4-41.6170.1-173.2-173176.1-152.8-1.8112.9D1219 L1224 L1225D1219-R1221 PolarHBondContact O-N 3.29Å; D1219-R1221 WeakPolarHBondContact OD1-CB 3.33Å; D1219-R1221 PolarHBondContact OD1-N 3.34Å; R1221-L1224 PolarHBondContact O-N 3.12Å; R1221-L1225 HydrophobicContact CG-CD1 4.33Å; R1221-L1225 WeakPolarHBondContact O-CB 3.48Å; R1221-L1225 VanDerWaalsContact O-CG 3.25Å; R1221-L1225 WeakPolarHBondContact O-CG 3.44Å; R1221-L1225 PolarHBondContact O-N 3.47Å
1222S89Confident74.4Confident44 Ų44112.2 Ų112.231%0.30860%0.602SS.*Hα-helixtrans-69.8-40.7175.274.40000110.8D1219 L1224 L1225 D1226D1219-S1222 PolarHBondContact N-OG 2.95Å; D1219-S1222 WeakPolarHBondContact O-CA 3.37Å; D1219-S1222 PolarHBondContact O-N 3.08Å; D1219-S1222 PolarHBondContact O-OG 2.84Å; S1222-L1224 VanDerWaalsContact C-N 3.31Å; S1222-L1224 PolarHBondContact O-N 3.48Å; S1222-L1225 CarbonylContact O-C 3.58Å; S1222-L1225 PolarHBondContact O-N 2.87Å; S1222-L1225 VanDerWaalsContact O-N 3.13Å; S1222-D1226 WeakPolarHBondContact O-CB 3.24Å; S1222-D1226 VanDerWaalsContact O-CG 3.29Å; S1222-D1226 PolarHBondContact O-N 2.9Å
1223Q88.2Confident76.1Confident118 Ų118109 Ų10955%0.55159%0.59SS**Hα-helixtrans-61.4-37.8174.4-171.2172.661.100112.1D1219 A1227D1219-Q1223 PolarHBondContact O-N 2.89Å; Q1223-A1227 WeakPolarHBondContact O-CB 3.42Å; Q1223-A1227 PolarHBondContact O-N 3.16Å
1224L90.1Very high77.5Confident102 Ų102108.5 Ų108.553%0.53458%0.576SS.*Hα-helixtrans-67.7-42171.5177.960.8000112.3P1220 R1221 S1222 D1226 A1227 I1228P1220-L1224 VanDerWaalsContact O-CB 3.22Å; P1220-L1224 WeakPolarHBondContact O-CB 3.26Å; P1220-L1224 PolarHBondContact O-N 2.86Å; R1221-L1224 PolarHBondContact O-N 3.12Å; S1222-L1224 VanDerWaalsContact C-N 3.31Å; S1222-L1224 PolarHBondContact O-N 3.48Å; L1224-D1226 VanDerWaalsContact C-N 3.31Å; L1224-D1226 PolarHBondContact O-N 2.77Å; L1224-A1227 PolarHBondContact O-N 3.31Å; L1224-I1228 HydrophobicContact CD1-CD1 3.94Å; L1224-I1228 HydrophobicContact CD1-CG1 4.25Å; L1224-I1228 HydrophobicContact CG-CD1 3.89Å; L1224-I1228 WeakPolarHBondContact O-CB 3.46Å; L1224-I1228 VanDerWaalsContact O-CG1 3.25Å; L1224-I1228 WeakPolarHBondContact O-CG1 3.21Å; L1224-I1228 PolarHBondContact O-N 3.25Å
1225L90Very high79Confident86 Ų86110.1 Ų110.145%0.4557%0.571SS.*Hα-helixtrans-66-33.2176-72.4168.6000112.2R1221 S1222 R1229R1221-L1225 HydrophobicContact CG-CD1 4.33Å; R1221-L1225 WeakPolarHBondContact O-CB 3.48Å; R1221-L1225 VanDerWaalsContact O-CG 3.25Å; R1221-L1225 WeakPolarHBondContact O-CG 3.44Å; R1221-L1225 PolarHBondContact O-N 3.47Å; S1222-L1225 CarbonylContact O-C 3.58Å; S1222-L1225 PolarHBondContact O-N 2.87Å; S1222-L1225 VanDerWaalsContact O-N 3.13Å; L1225-R1229 WeakPolarHBondContact O-CB 3.3Å; L1225-R1229 VanDerWaalsContact O-CG 3.26Å; L1225-R1229 WeakPolarHBondContact O-CG 3.23Å; L1225-R1229 PolarHBondContact O-N 2.88Å
1226D86.8Confident79.8Confident59 Ų59108.8 Ų108.832%0.31656%0.556SS.*Hα-helixtrans-70.7-43.2172.4-69.5-25.2000111.5S1222 L1224 I1228 R1229 N1230S1222-D1226 WeakPolarHBondContact O-CB 3.24Å; S1222-D1226 VanDerWaalsContact O-CG 3.29Å; S1222-D1226 PolarHBondContact O-N 2.9Å; L1224-D1226 VanDerWaalsContact C-N 3.31Å; L1224-D1226 PolarHBondContact O-N 2.77Å; D1226-I1228 VanDerWaalsContact C-N 3.3Å; D1226-I1228 PolarHBondContact O-N 2.87Å; D1226-R1229 PolarHBondContact O-N 3.29Å; D1226-R1229 IonicContact OD1-CZ 3.44Å; D1226-R1229 IonicContact OD1-NE 3.53Å; D1226-R1229 IonicContact OD1-NH2 2.68Å; D1226-R1229 PolarHBondContact OD1-NH2 3.03Å; D1226-N1230 VanDerWaalsContact O-CB 3.24Å; D1226-N1230 WeakPolarHBondContact O-CB 3.28Å; D1226-N1230 VanDerWaalsContact O-CG 3.23Å; D1226-N1230 PolarHBondContact O-N 3.46Å; D1226-N1230 PolarHBondContact O-ND2 2.75Å; D1226-N1230 VanDerWaalsContact O-ND2 3.12Å
1227A85.9Confident80.5Confident59 Ų59108.8 Ų108.849%0.48855%0.551SS.*Hα-helixtrans-59.3-40.7172.900000111.9Q1223 L1224 F1231Q1223-A1227 WeakPolarHBondContact O-CB 3.42Å; Q1223-A1227 PolarHBondContact O-N 3.16Å; L1224-A1227 PolarHBondContact O-N 3.31Å; A1227-F1231 WeakPolarHBondContact O-CB 3.38Å; A1227-F1231 PolarHBondContact O-N 3.2Å
1228I85.2Confident80.8Confident107 Ų107115.5 Ų115.555%0.54956%0.559SS.*Hα-helixtrans-69.6-41.7176.1-69.2165.7000111.7L1224 D1226 N1230 F1231L1224-I1228 HydrophobicContact CD1-CD1 3.94Å; L1224-I1228 HydrophobicContact CD1-CG1 4.25Å; L1224-I1228 HydrophobicContact CG-CD1 3.89Å; L1224-I1228 WeakPolarHBondContact O-CB 3.46Å; L1224-I1228 VanDerWaalsContact O-CG1 3.25Å; L1224-I1228 WeakPolarHBondContact O-CG1 3.21Å; L1224-I1228 PolarHBondContact O-N 3.25Å; D1226-I1228 VanDerWaalsContact C-N 3.3Å; D1226-I1228 PolarHBondContact O-N 2.87Å; I1228-N1230 VanDerWaalsContact C-N 3.33Å; I1228-F1231 PolarHBondContact O-N 3.48Å
1229R88.1Confident79.7Confident188 Ų188119.2 Ų119.271%0.70959%0.587SS**Hα-helixtrans-66.7-33.9177.1-78.6-170.1-68.1-178.2-2.8112.9L1225 D1226L1225-R1229 WeakPolarHBondContact O-CB 3.3Å; L1225-R1229 VanDerWaalsContact O-CG 3.26Å; L1225-R1229 WeakPolarHBondContact O-CG 3.23Å; L1225-R1229 PolarHBondContact O-N 2.88Å; D1226-R1229 PolarHBondContact O-N 3.29Å; D1226-R1229 IonicContact OD1-CZ 3.44Å; D1226-R1229 IonicContact OD1-NE 3.53Å; D1226-R1229 IonicContact OD1-NH2 2.68Å; D1226-R1229 PolarHBondContact OD1-NH2 3.03Å
1230N85.4Confident79.6Confident121 Ų121121 Ų12165%0.64759%0.594SS**THydrogen-bonded Turntrans-91.6-0.3-179.9-62.7-32.2000113.2D1226 I1228 K1232D1226-N1230 VanDerWaalsContact O-CB 3.24Å; D1226-N1230 WeakPolarHBondContact O-CB 3.28Å; D1226-N1230 VanDerWaalsContact O-CG 3.23Å; D1226-N1230 PolarHBondContact O-N 3.46Å; D1226-N1230 PolarHBondContact O-ND2 2.75Å; D1226-N1230 VanDerWaalsContact O-ND2 3.12Å; I1228-N1230 VanDerWaalsContact C-N 3.33Å; N1230-K1232 PolarHBondContact O-N 2.86Å
1231F82.9Confident79.2Confident136 Ų136122.3 Ų122.360%0.59659%0.592SS**  trans-70.795.7-179.7-167.7-94.9000111A1227 I1228 L1236A1227-F1231 WeakPolarHBondContact O-CB 3.38Å; A1227-F1231 PolarHBondContact O-N 3.2Å; I1228-F1231 PolarHBondContact O-N 3.48Å; F1231-L1236 HydrophobicContact CZ-CD1 4.34Å
1232K82.8Confident78.8Confident118 Ų118119.2 Ų119.251%0.51359%0.588SS.*  trans-76.2137.8179.1-83.1170.8156-88.50111N1230 E1234 D1235N1230-K1232 PolarHBondContact O-N 2.86Å; K1232-E1234 HydrophobicContact CB-CG 4.01Å; K1232-E1234 WeakPolarHBondContact CG-OE1 3.19Å; K1232-E1234 IonicContact NZ-OE1 2.64Å; K1232-E1234 PolarHBondContact NZ-OE1 2.86Å; K1232-E1234 PolarHBondContact O-N 2.64Å; K1232-D1235 WeakPolarHBondContact CB-OD2 3.48Å; K1232-D1235 PolarHBondContact O-N 3.35Å
1233R71.5Confident78.2Confident198 Ų198123.6 Ų123.675%0.74760%0.604SS**THydrogen-bonded Turntrans-67-29.5-179.8-171174.9-64.7151.64.5111.6D1235 L1236R1233-D1235 VanDerWaalsContact C-N 3.3Å; R1233-D1235 PolarHBondContact O-N 3.25Å; R1233-L1236 VanDerWaalsContact O-CB 3.29Å; R1233-L1236 WeakPolarHBondContact O-CB 3.13Å; R1233-L1236 PolarHBondContact O-N 3.48Å
1234E69.9Low77.5Confident97 Ų97124 Ų12445%0.45361%0.607SS.*THydrogen-bonded Turntrans-70.1-19.1177.248.5-83.8-163.200114.1K1232 N1237K1232-E1234 HydrophobicContact CB-CG 4.01Å; K1232-E1234 WeakPolarHBondContact CG-OE1 3.19Å; K1232-E1234 IonicContact NZ-OE1 2.64Å; K1232-E1234 PolarHBondContact NZ-OE1 2.86Å; K1232-E1234 PolarHBondContact O-N 2.64Å; E1234-N1237 PolarHBondContact O-N 2.98Å
1235D74Confident76.7Confident89 Ų89125.5 Ų125.548%0.47661%0.612SS.*G310 helixtrans-72.9-31.9170.1-63.9-36.5000111.6K1232 R1233 N1237 R1238K1232-D1235 WeakPolarHBondContact CB-OD2 3.48Å; K1232-D1235 PolarHBondContact O-N 3.35Å; R1233-D1235 VanDerWaalsContact C-N 3.3Å; R1233-D1235 PolarHBondContact O-N 3.25Å; D1235-N1237 PolarHBondContact O-N 3.26Å; D1235-R1238 PolarHBondContact O-N 2.83Å; D1235-R1238 VanDerWaalsContact O-N 3.17Å
1236L65.4Low75.8Confident109 Ų109128.3 Ų128.357%0.57162%0.624SS**G310 helixtrans-67.7-14.8175.3-163.171.6000113F1231 R1233F1231-L1236 HydrophobicContact CZ-CD1 4.34Å; R1233-L1236 VanDerWaalsContact O-CB 3.29Å; R1233-L1236 WeakPolarHBondContact O-CB 3.13Å; R1233-L1236 PolarHBondContact O-N 3.48Å
1237N68.2Low74.9Confident133 Ų133133.6 Ų133.671%0.71165%0.647SS**G310 helixtrans-99.67.1177.5-64.9-19000112.7E1234 D1235E1234-N1237 PolarHBondContact O-N 2.98Å; D1235-N1237 PolarHBondContact O-N 3.26Å
1238R67.3Low74Confident222 Ų222139.8 Ų139.884%0.83866%0.661SS**  trans-119.20.8-176.1-91.6-179.2163.6-91.21.2114.4D1235D1235-R1238 PolarHBondContact O-N 2.83Å; D1235-R1238 VanDerWaalsContact O-N 3.17Å
1239S47.3Very low73Confident160 Ų160142.8 Ų142.8100%1.11967%0.671SS**  trans-1070-175.864.70000113.3

Retrieved 1,239 of 1,239 residues in 199.3 ms (Link to these results)