A0A087YB89_POEFO Loading...

Forkhead box protein O3-like

AlphaFold DB , UniProt , Accession A0A087YB89, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 607 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
1M45.9Very low44.7Very low241 Ų241144.8 Ų144.8100%1.18785%0.848SS**  01560-74.562.9164.700108.3
2A38Very low45.5Very low106 Ų106142.3 Ų142.388%0.87684%0.839SS**PPolyproline II helixtrans-100.3137.9157.800000107.3
3E45.1Very low46Very low198 Ų198139.8 Ų139.893%0.92583%0.829SS**PPolyproline II helixtrans-101.3142.5176.9-163.3170.5174.800109.1
4A47.3Very low46.1Very low81 Ų81141.6 Ų141.667%0.66983%0.833SS**PPolyproline II helixtrans-101.8138.1-175.600000110.5
5P52.9Low46.6Very low129 Ų129140.5 Ų140.584%0.83883%0.828SS**PPolyproline II helixtrans-68134.9173.929.1-33.7000110.4
6L47.3Very low46.9Very low168 Ų168143.6 Ų143.688%0.8883%0.832SS**PPolyproline II helixtrans-72.8141.9175.1-66.7169000110.7
7S38.8Very low47.9Very low107 Ų107143.4 Ų143.475%0.74883%0.825SS**  trans-87.4113.617751.60000111.3D9S7-D9 PolarHBondContact O-N 2.95Å
8C37.5Very low49Very low129 Ų129140.5 Ų140.587%0.87281%0.807SS**  trans-89.191.3170-60.60000110.3
9D38.6Very low50Low157 Ų157139.9 Ų139.984%0.8481%0.808SS**  trans-10697.8165.6-91.4-70.3000108.7S7S7-D9 PolarHBondContact O-N 2.95Å
10E44.8Very low50.4Low169 Ų169140.4 Ų140.479%0.7981%0.808SS**  trans-110.9119.8168.5-171.3-171.8141.500108.8
11P55.3Low50.8Low108 Ų108141 Ų14170%0.70180%0.802SS**PPolyproline II helixtrans-74.4138.6172.530.9-32.7000110
12P54.3Low52Low114 Ų114136.1 Ų136.174%0.7478%0.776SS**PPolyproline II helixtrans-63.1145.5-178.227.1-35.3000111.4N14P12-N14 PolarHBondContact O-N 3.44Å
13P52Low53.3Low110 Ų110136 Ų13671%0.71477%0.766SS**PPolyproline II helixtrans-62.4130.9-179.725-34000111.2V15P13-V15 PolarHBondContact O-N 3.3Å; P13-V15 VanDerWaalsContact O-N 3.12Å
14N47.8Very low54.1Low166 Ų166135.1 Ų135.189%0.88876%0.762SS**  trans-63.7112.1170.6-100.5-34.6000109.2P12 E16P12-N14 PolarHBondContact O-N 3.44Å; N14-E16 PolarHBondContact O-N 3.3Å; N14-E16 VanDerWaalsContact O-N 3.11Å
15V54Low54.6Low125 Ų125139 Ų13976%0.75876%0.764SS**  trans-74.8100168.7-178.90000107.4P13 I17P13-V15 PolarHBondContact O-N 3.3Å; P13-V15 VanDerWaalsContact O-N 3.12Å; V15-I17 PolarHBondContact O-N 3.47Å; V15-I17 VanDerWaalsContact O-N 3.09Å
16E51.2Low54.8Low189 Ų189143.2 Ų143.288%0.88376%0.763SS**  trans-67.5104.5177.1-166163-134.400109N14 D18N14-E16 PolarHBondContact O-N 3.3Å; N14-E16 VanDerWaalsContact O-N 3.11Å; E16-D18 PolarHBondContact O-N 2.64Å
17I62.9Low55.2Low140 Ų140139.4 Ų139.472%0.71875%0.748SS**  trans-75.7117.8-178-59.3175.8000108.4V15V15-I17 PolarHBondContact O-N 3.47Å; V15-I17 VanDerWaalsContact O-N 3.09Å
18D67.9Low56Low92 Ų92145.6 Ų145.649%0.49276%0.755SS.*  trans-50.9119.9176.8178.11.5000111.5E16 D20 F21E16-D18 PolarHBondContact O-N 2.64Å; D18-D20 PolarHBondContact O-N 3.24Å; D18-D20 PolarHBondContact OD1-N 3.45Å; D18-F21 HydrophobicContact CB-CB 4.28Å; D18-F21 VanDerWaalsContact O-CB 3.28Å; D18-F21 WeakPolarHBondContact O-CB 3.47Å; D18-F21 PolarHBondContact O-N 2.6Å
19P68.6Low56.8Low129 Ų129143.5 Ų143.584%0.83874%0.742SS**THydrogen-bonded Turntrans-67.4-18-178.327.9-35.5000114.1
20D58.2Low57.5Low149 Ų149140.3 Ų140.380%0.79773%0.731SS**THydrogen-bonded Turntrans-90.15.6175.6-87.9-17.9000113.2D18 E22D18-D20 PolarHBondContact O-N 3.24Å; D18-D20 PolarHBondContact OD1-N 3.45Å; D20-E22 VanDerWaalsContact C-N 3.3Å; D20-E22 PolarHBondContact O-N 3.35Å
21F58.2Low58.1Low155 Ų155137.4 Ų137.468%0.6873%0.725SS**  trans-7472-178.6-155.4-89000113.2D18 P23D18-F21 HydrophobicContact CB-CB 4.28Å; D18-F21 VanDerWaalsContact O-CB 3.28Å; D18-F21 WeakPolarHBondContact O-CB 3.47Å; D18-F21 PolarHBondContact O-N 2.6Å; F21-P23 WeakPolarHBondContact O-CD 3.18Å
22E70.5Confident58.4Low137 Ų137141.7 Ų141.764%0.6473%0.727SS**  trans-63.3120.4176.6-162.7-167-166.500110.6D20 Q24 K25D20-E22 VanDerWaalsContact C-N 3.3Å; D20-E22 PolarHBondContact O-N 3.35Å; E22-Q24 PolarHBondContact O-N 2.85Å; E22-Q24 VanDerWaalsContact O-N 3.07Å; E22-K25 VanDerWaalsContact CD-NZ 3.26Å; E22-K25 IonicContact OE1-NZ 2.6Å; E22-K25 PolarHBondContact OE1-NZ 3.17Å; E22-K25 IonicContact OE2-NZ 3.35Å; E22-K25 PolarHBondContact OE2-NZ 2.97Å
23P65.1Low58.8Low103 Ų103141.7 Ų141.767%0.66973%0.727SS**  trans-66.5113.9-175.224.9-34000111.4F21 K25F21-P23 WeakPolarHBondContact O-CD 3.18Å; P23-K25 PolarHBondContact O-N 2.81Å; P23-K25 VanDerWaalsContact O-N 3.16Å
24Q62.1Low58.9Low180 Ų180141.8 Ų141.884%0.84172%0.721SS**  trans-50120.3-178.3-81.2-171.4-18.700112.5E22 R26E22-Q24 PolarHBondContact O-N 2.85Å; E22-Q24 VanDerWaalsContact O-N 3.07Å; Q24-R26 VanDerWaalsContact C-N 3.34Å; Q24-R26 PolarHBondContact O-N 3.28Å
25K57.7Low59.1Low164 Ų164139.6 Ų139.671%0.71372%0.716SS**  trans-72.782.8-177.3-59.1-180-175.182.90110.5E22 P23E22-K25 VanDerWaalsContact CD-NZ 3.26Å; E22-K25 IonicContact OE1-NZ 2.6Å; E22-K25 PolarHBondContact OE1-NZ 3.17Å; E22-K25 IonicContact OE2-NZ 3.35Å; E22-K25 PolarHBondContact OE2-NZ 2.97Å; P23-K25 PolarHBondContact O-N 2.81Å; P23-K25 VanDerWaalsContact O-N 3.16Å
26R58.4Low58.8Low216 Ų216144.2 Ų144.282%0.81572%0.72SS**  trans-54144.6176.8-68.6-176.6179.2177.40.1111.3Q24Q24-R26 VanDerWaalsContact C-N 3.34Å; Q24-R26 PolarHBondContact O-N 3.28Å
27P54.9Low59Low89 Ų89141 Ų14158%0.57872%0.715SS**  trans-60.5140-179.124.5-34.1000111.7S29 C30P27-S29 PolarHBondContact O-N 3.36Å; P27-C30 PolarHBondContact O-N 3.09Å
28R55.1Low58.1Low237 Ų237143.4 Ų143.489%0.89472%0.723SS**THydrogen-bonded Turntrans-70.43.1-168.7-54-176.378.1126.21.1114.7
29S55.9Low57Low84 Ų84145.2 Ų145.259%0.58774%0.743SS**THydrogen-bonded Turntrans-79.7-18172.147.50000113.7P27P27-S29 PolarHBondContact O-N 3.36Å
30C53.1Low55.5Low91 Ų91142.5 Ų142.562%0.61574%0.739SS**SBendtrans-92.80.2-176.1-61.70000114.6P27P27-C30 PolarHBondContact O-N 3.09Å
31T57.8Low54.8Low107 Ų107141 Ų14166%0.65675%0.747SS**SBendtrans-99.1101.3178.6-52.10000110.5
32W60.8Low53.6Low199 Ų199137 Ų13775%0.75475%0.75SS**SBendtrans-82.9148.9172.2-79.784000111.8L34W32-L34 HydrophobicContact CH2-CD1 4.09Å; W32-L34 HydrophobicContact CZ2-CD1 4.36Å; W32-L34 HydrophobicContact CZ3-CD1 4.44Å
33P62.8Low52.1Low114 Ų114140.4 Ų140.474%0.7476%0.763SS**SBendcis-87.4149.9-2.334.9-33.9000113.5
34L53.7Low50.8Low112 Ų112141.7 Ų141.759%0.58677%0.771SS**PPolyproline II helixtrans-60.4137.6173.4-72.6162.3000111.6W32W32-L34 HydrophobicContact CH2-CD1 4.09Å; W32-L34 HydrophobicContact CZ2-CD1 4.36Å; W32-L34 HydrophobicContact CZ3-CD1 4.44Å
35P52.3Low49.6Very low120 Ų120136.9 Ų136.978%0.77977%0.77SS**PPolyproline II helixtrans-65.7144.6174.228.2-34000111
36R48Very low48.6Very low222 Ų222133 Ų13384%0.83877%0.768SS**PPolyproline II helixtrans-74.3138176.2-176.9178-65.3-171.70.6109.4E38R36-E38 PolarHBondContact O-N 3.11Å
37P54.4Low47.5Very low121 Ų121130 Ų13079%0.78677%0.768SS**PPolyproline II helixtrans-61.6124.4172.325.4-34000110.1
38E45Very low46.5Very low190 Ų190133 Ų13389%0.88878%0.779SS**PPolyproline II helixtrans-88118.3-177.8-59.5-158.5124.600110.8R36 G40R36-E38 PolarHBondContact O-N 3.11Å; E38-G40 PolarHBondContact O-N 3.01Å; E38-G40 VanDerWaalsContact O-N 3.17Å
39S45.5Very low45.6Very low131 Ų131125.8 Ų125.892%0.91677%0.77SS**  trans-81.987.5173.657.50000110.1
40G35.9Very low44.7Very low72 Ų72129.1 Ų129.174%0.74278%0.782SS**  trans-144.1130.6177.400000111.9E38E38-G40 PolarHBondContact O-N 3.01Å; E38-G40 VanDerWaalsContact O-N 3.17Å
41A43Very low43.9Very low116 Ų116130.6 Ų130.696%0.95979%0.787SS**  trans-85.9141-179.600000111.8
42G34Very low42.5Very low73 Ų73133.5 Ų133.575%0.75380%0.797SS**  trans-156.6134.4176.300000111.6
43K39.7Very low41.4Very low208 Ų208128.3 Ų128.390%0.90479%0.789SS**  trans-64.1142.3-179.1-62.7175.5175.2-178.90112
44P37.8Very low39.9Very low130 Ų130131.9 Ų131.984%0.84480%0.796SS**  trans-77.4158.3146.835.4-32.3000110.2
45G35.4Very low39.3Very low79 Ų79135.4 Ų135.481%0.81481%0.809SS**  trans176.5114.3168.400000112.7
46A38Very low38.6Very low81 Ų81139 Ų13967%0.66982%0.816SS**  trans-172.7128.4159.100000109
47N34.7Very low37.9Very low154 Ų154136.6 Ų136.682%0.82482%0.82SS**  trans66.9165.2158-43.8-18.1000117.1
48D34.8Very low37.1Very low151 Ų151138 Ų13881%0.80782%0.821SS**  -162.5161.7-52.2-148.2-74.4000107.4
49A35.6Very low36.9Very low86 Ų86137.8 Ų137.871%0.71182%0.82SS**  trans59.4148.2174.700000119.5
50D37.1Very low36.3Very low155 Ų155135.3 Ų135.383%0.82981%0.814SS**  trans-58.8149.5-175.9-52.8-92.3000116.2
51V35.3Very low36.1Very low121 Ų121135.7 Ų135.773%0.73382%0.819SS**  172.4115.2112.3155.70000109.4P53V51-P53 HydrophobicContact CG1-CG 4.12Å
52I29.9Very low35.5Very low168 Ų168135.9 Ų135.986%0.86281%0.813SS**  trans-134.8108.9156.9-60.1179.5000106
53P37.1Very low35.4Very low91 Ų91136.9 Ų136.959%0.59181%0.814SS**  trans-78.3131.1170.9-8.626.7000110.3V51V51-P53 HydrophobicContact CG1-CG 4.12Å
54E31.7Very low35Very low188 Ų188135.9 Ų135.988%0.87981%0.812SS**  trans48.7115.7133.2-61.7172.2150.800118.6
55E40.1Very low34.5Very low186 Ų186137 Ų13787%0.86981%0.811SS**  trans-100.5148.5161.5-61.5-177-125.400109.3
56E37.8Very low34Very low196 Ų196137.8 Ų137.892%0.91680%0.803SS**  trans75.1118.3169-50.2-167.2138.300118.9
57D33.6Very low33.4Very low172 Ų172138.9 Ų138.992%0.9281%0.806SS**  trans-150.790.4167.1-144.8-0000108.7
58D36.8Very low33.2Very low151 Ų151137.6 Ų137.681%0.80780%0.803SS**  trans-153.9109165.4-151.8-36000111.1
59E41.2Very low32.8Very low185 Ų185138.7 Ų138.786%0.86480%0.804SS**  trans27.1117.2160.5-67.9-71.4146.500121.3
60G33.1Very low32.4Very low78 Ų78142.7 Ų142.780%0.80481%0.805SS**  trans158.287.415800000116.7
61G31.7Very low31.9Very low81 Ų81142.2 Ų142.284%0.83580%0.803SS**  trans-86.6-170.7-175.700000117.4
62S30.1Very low31.5Very low120 Ų120140.2 Ų140.284%0.83981%0.806SS**  trans94.861.4171.5-162.90000119.8
63A32.4Very low31.4Very low93 Ų93139.4 Ų139.477%0.76980%0.804SS**  60.8163.7120.200000123.6
64E30.3Very low31.2Very low187 Ų187139.5 Ų139.587%0.87481%0.806SS**  trans8473159.4-49.1-146.9128.100121.5
65N27.4Very low31.5Very low154 Ų154136.7 Ų136.782%0.82480%0.802SS**  66.4156.3115.2-160.928.4000123
66C26.2Very low31.1Very low95 Ų95134.3 Ų134.364%0.64280%0.795SS**  trans73.1104.1159.1-87.90000122.6
67S24.8Very low30.8Very low105 Ų105131.2 Ų131.273%0.73478%0.781SS**  51.5112.5111.3-56.30000122.7
68V29.2Very low31.5Very low126 Ų126128.8 Ų128.876%0.76477%0.774SS**  51.4106.6122.8-176.90000119.1
69Q26.3Very low31.3Very low175 Ų175126.1 Ų126.182%0.81877%0.767SS**  -172.4133.5127.8-108.2155.666.800118.6
70K28Very low30.8Very low169 Ų169120.8 Ų120.874%0.73576%0.762SS**  trans50.6130.9130.6-81.2-172.5168.5-1800125.1
71N26.9Very low30.6Very low146 Ų146121.2 Ų121.278%0.78177%0.766SS**  80.3130.2126.9-68.812.7000123.3
72G27.4Very low30.5Very low78 Ų78120.6 Ų120.680%0.80476%0.761SS**  trans91.1153148.100000116.8
73D27.2Very low30.6Very low152 Ų152127.5 Ų127.581%0.81377%0.768SS**  cis-159170.3-16.8-173.7-147.4000110.3
74S33.2Very low30.4Very low92 Ų92126.4 Ų126.464%0.64377%0.766SS**  trans-25.1164.1167.7-49.10000119.2
75V37.6Very low30.4Very low129 Ų129123.3 Ų123.378%0.78277%0.765SS**  cis-144.1-179.315.5-114.60000108.7
76N31.1Very low30.5Very low137 Ų137122 Ų12273%0.73376%0.762SS**  cis-142.3-171.615.1-107-22.8000107.9
77E33.3Very low30.7Very low130 Ų130122.9 Ų122.961%0.60777%0.77SS**  cis7315327.4-80.4-63.289.100116.8S79E77-S79 VanDerWaalsContact CD-N 3.25Å; E77-S79 PolarHBondContact OE1-N 3.16Å; E77-S79 PolarHBondContact OE1-OG 3.07Å; E77-S79 WeakPolarHBondContact OE2-CB 3.28Å; E77-S79 PolarHBondContact OE2-N 3.12Å; E77-S79 PolarHBondContact OE2-OG 3.37Å
78P47.2Very low31.1Very low121 Ų121126.6 Ų126.679%0.78678%0.775SS**  cis-109.915013.740-31.2000118.7
79S32.7Very low31.9Very low95 Ų95125 Ų12566%0.66477%0.768SS**  trans-31.6162.3156.1-68.30000118.2E77E77-S79 VanDerWaalsContact CD-N 3.25Å; E77-S79 PolarHBondContact OE1-N 3.16Å; E77-S79 PolarHBondContact OE1-OG 3.07Å; E77-S79 WeakPolarHBondContact OE2-CB 3.28Å; E77-S79 PolarHBondContact OE2-N 3.12Å; E77-S79 PolarHBondContact OE2-OG 3.37Å
80G30.3Very low32Very low73 Ų73122.8 Ų122.875%0.75377%0.766SS**  cis148.6172.9-3.800000114.8
81G29.7Very low32Very low87 Ų87121.9 Ų121.990%0.89776%0.764SS**  trans90.8140.216900000117
82G29.2Very low32.1Very low69 Ų69121 Ų12171%0.71176%0.758SS**  cis162161.4-12.400000115
83R31.9Very low32.1Very low264 Ų264125.9 Ų125.9100%0.99676%0.761SS**  trans69.4143.4168.8-57.4165.6147.2-116.7-5116.8
84G29.7Very low32.2Very low70 Ų70122.1 Ų122.172%0.72276%0.758SS**  cis168.4161.8-9.200000113.2
85S30.1Very low31.9Very low122 Ų122121.3 Ų121.385%0.85376%0.764SS**  trans25.2151153.3-66.60000123.6
86V29.5Very low32.2Very low126 Ų126120.2 Ų120.276%0.76476%0.759SS**  cis-178.2164.7-23.6112.50000108.6
87S30.1Very low32.3Very low115 Ų115124.2 Ų124.280%0.80476%0.764SS**  trans80.2158163.4-79.30000122
88Q32Very low32.2Very low182 Ų182125.2 Ų125.285%0.8577%0.767SS**  trans-107.3-158175.4-41.9171.4-7.800108.9
89P45.8Very low31.5Very low93 Ų93124.7 Ų124.760%0.60476%0.757SS**  cis-136.2-165.4-17.736.5-14.7000113.8
90V29.7Very low31.5Very low128 Ų128129.3 Ų129.378%0.77677%0.768SS**  trans61.1161.2157.7-57.20000118.5
91E26.9Very low31.6Very low150 Ų150129.7 Ų129.770%0.70176%0.764SS**  cis-158.2178.2-5.6-138.3-170.3121.200112.1
92L29.5Very low31.8Very low127 Ų127130 Ų13067%0.66576%0.759SS**  trans65.9159155.2-64.3158000118.1
93Q28.2Very low32Very low182 Ų182134.9 Ų134.985%0.8577%0.768SS**  cis-167150-27.1175.5168.671.200109.6
94G29.1Very low32Very low73 Ų73125.9 Ų125.975%0.75376%0.758SS**  trans124.7122157.600000116.9
95G25.6Very low32.2Very low75 Ų75128 Ų12877%0.77376%0.761SS**  trans-107.7-147.914700000108.6
96P45.2Very low33.1Very low105 Ų105127.3 Ų127.368%0.68275%0.754SS**  cis-140.4-169.9-4.635.8-14000113.8
97R32.3Very low33.2Very low221 Ų221126.8 Ų126.883%0.83476%0.756SS**  trans75.4154.1162.4-55.2168.2-165.7-1553.6115.5
98K32.2Very low33.3Very low152 Ų152127.4 Ų127.466%0.66176%0.76SS**  cis-163157.6-15.5-114.9-179.8150.9-71.50110.7
99D31.1Very low33.4Very low110 Ų110122.8 Ų122.859%0.58875%0.753SS**  trans49.3133.7146.7-45.1-23000123.4
100E32.5Very low32.8Very low192 Ų192126.4 Ų126.490%0.89776%0.762SS**  trans62.7151.1146.6-69.2-156.797.200121.3
101A32.5Very low33.2Very low80 Ų80127.1 Ų127.166%0.66176%0.76SS**  cis-166.1-166.2-16.500000109.8
102A35.8Very low34.1Very low95 Ų95125.8 Ų125.879%0.78576%0.764SS**  trans78.7101.8164.800000120
103D31.6Very low34.1Very low171 Ų171123.3 Ų123.391%0.91477%0.769SS**  4.9148.4126.6-159.58.9000120.5
104G31.9Very low34.2Very low75 Ų75119.6 Ų119.677%0.77377%0.769SS**  trans159.986.1175.200000116.7
105S35.2Very low34.6Very low114 Ų114120.6 Ų120.680%0.79777%0.771SS**  trans-94.5172.7159.5-132.50000109.9
106P48.4Very low35Very low107 Ų107125 Ų12570%0.69578%0.776SS**  cis-142-175.310.443.5-24000117.1
107S31.5Very low34.3Very low116 Ų116126.8 Ų126.881%0.81179%0.789SS**  trans36.3125.4147.5-60.60000122.6
108S32.1Very low34.1Very low127 Ų127119.2 Ų119.289%0.88878%0.78SS**  -171.3176.593.4-156.20000113.2
109A35.4Very low34.3Very low85 Ų85117.1 Ų117.170%0.70279%0.785SS**  trans-81-174.9-174.100000113.2
110Q31.6Very low34.5Very low169 Ų169117 Ų11779%0.7980%0.798SS**  cis-174.3164.533.5-146.4-173.1-3.900113.4
111I39.2Very low35.1Very low144 Ų144112.6 Ų112.674%0.73879%0.789SS**  trans70.5171.5160.16.3-178000119.8
112P45.3Very low35.8Very low122 Ų122117.7 Ų117.779%0.79280%0.799SS**  -136.2-176.7-113.847.7-29.8000118
113G28.8Very low36.1Very low74 Ų74119.9 Ų119.976%0.76379%0.793SS**  trans134146.7136.800000119.5
114A31.3Very low36.8Very low104 Ų104120 Ų12086%0.8679%0.793SS**  trans60.693.6157.800000120.9
115A36.2Very low37.5Very low94 Ų94125.5 Ų125.578%0.77779%0.79SS**  trans13.1136.9140.200000122.6
116L34.4Very low38.1Very low169 Ų169129.3 Ų129.389%0.88579%0.792SS**  -178.4123.6121.1-99.3160.1000112.6
117C30.9Very low38.1Very low141 Ų141129.3 Ų129.395%0.95380%0.795SS**  trans54.6146.4161.4-134.70000119.5
118G28.8Very low39.2Very low63 Ų63128.2 Ų128.265%0.64979%0.787SS**  cis166.3156.9-800000111.9
119S34.9Very low40.4Very low108 Ų108126 Ų12676%0.75578%0.777SS**  trans58.775.8171.9-157.30000118.1S121S119-S121 VanDerWaalsContact C-N 3.32Å; S119-S121 PolarHBondContact O-N 3.22Å; S119-S121 VanDerWaalsContact O-N 3.11Å
120A36.7Very low41.4Very low106 Ų106133.1 Ų133.188%0.87679%0.785SS**  trans-7977.3160.100000110.9Q122A120-Q122 PolarHBondContact O-N 2.84Å
121S43.7Very low43.4Very low100 Ų100133.5 Ų133.570%0.69978%0.78SS**  trans-86.732179.359.60000114.3S119 Q123S119-S121 VanDerWaalsContact C-N 3.32Å; S119-S121 PolarHBondContact O-N 3.22Å; S119-S121 VanDerWaalsContact O-N 3.11Å; S121-Q123 PolarHBondContact O-N 3.06Å
122Q47.8Very low45.4Very low187 Ų187129.8 Ų129.887%0.87476%0.761SS**  trans-64.1122.1166.8-73.4-161.18.900109.2A120 L124A120-Q122 PolarHBondContact O-N 2.84Å; Q122-L124 PolarHBondContact O-N 3.41Å; Q122-L124 VanDerWaalsContact O-N 3.13Å
123Q42.3Very low47.2Very low141 Ų141127.2 Ų127.266%0.65975%0.75SS**  trans-55.2118.4-169.3-66.4171.8-23.700111.5S121 R125S121-Q123 PolarHBondContact O-N 3.06Å; Q123-R125 PolarHBondContact O-N 2.86Å; Q123-R125 VanDerWaalsContact OE1-CZ 3.28Å; Q123-R125 VanDerWaalsContact OE1-NE 3.09Å
124L47.2Very low49.9Very low173 Ų173125.9 Ų125.991%0.90672%0.722SS**  trans-68.976169.7-15996.8000109.4Q122 K126Q122-L124 PolarHBondContact O-N 3.41Å; Q122-L124 VanDerWaalsContact O-N 3.13Å; L124-K126 PolarHBondContact O-N 3.17Å; L124-K126 VanDerWaalsContact O-N 3.07Å
125R46Very low52.6Low192 Ų192122 Ų12273%0.72569%0.692SS**  trans-52.5118.1176.3-67.9-68.5175.5135.9-4.3107.2Q123 S127Q123-R125 PolarHBondContact O-N 2.86Å; Q123-R125 VanDerWaalsContact OE1-CZ 3.28Å; Q123-R125 VanDerWaalsContact OE1-NE 3.09Å; R125-S127 VanDerWaalsContact C-N 3.33Å; R125-S127 PolarHBondContact O-N 3.26Å
126K46.8Very low55.2Low194 Ų194122.4 Ų122.484%0.84368%0.682SS**  trans-59.189.8-166.5-175.58375.5171.30110.5L124 S128L124-K126 PolarHBondContact O-N 3.17Å; L124-K126 VanDerWaalsContact O-N 3.07Å; K126-S128 PolarHBondContact O-N 3.2Å
127S49.9Very low57.9Low107 Ų107119.4 Ų119.475%0.74866%0.659SS**  trans-78.761.1-175.4-160.80000111R125 A129R125-S127 VanDerWaalsContact C-N 3.33Å; R125-S127 PolarHBondContact O-N 3.26Å; S127-A129 VanDerWaalsContact C-N 3.28Å
128S53.6Low60.9Low93 Ų93115.1 Ų115.165%0.6563%0.631SS**  trans-94.917.9174-162.40000111.8K126 R130K126-S128 PolarHBondContact O-N 3.2Å; S128-R130 PolarHBondContact O-N 2.94Å
129A56.9Low64.1Low81 Ų81114.1 Ų114.167%0.66961%0.608SS**SBendtrans-71.1101.8155.900000106.4S127 R131S127-A129 VanDerWaalsContact C-N 3.28Å; A129-R131 PolarHBondContact O-N 3.41Å
130R56.3Low67Low234 Ų234109.5 Ų109.588%0.88358%0.576SS**  trans-56.1114-174.9-60.1-177.5-167.9-100.74.9108.8S128S128-R130 PolarHBondContact O-N 2.94Å
131R73.6Confident69.7Low177 Ų177107.3 Ų107.367%0.66855%0.55SS*.  trans-60.7142.3170.8-63.6177.272.3133.91107.7A129 N136A129-R131 PolarHBondContact O-N 3.41Å; R131-N136 PolarHBondContact NH2-OD1 2.88Å; R131-N136 VanDerWaalsContact NH2-OD1 3.08Å
132N82.8Confident72.2Confident65 Ų65102.8 Ų102.835%0.34852%0.518SS..BIsolated β-bridgetrans-63.5156.9176.2-60.9-36.4000109.3W134 G135 Y137N132-W134 HydrophobicContact CB-CD2 3.59Å; N132-W134 HydrophobicContact CB-CE3 3.97Å; N132-W134 HydrophobicContact CB-CG 4.1Å; N132-W134 HydrophobicContact CB-CH2 3.92Å; N132-W134 HydrophobicContact CB-CZ2 3.54Å; N132-W134 HydrophobicContact CB-CZ3 4.12Å; N132-W134 VanDerWaalsContact CG-CZ2 3.46Å; N132-W134 WeakPolarHBondContact ND2-CZ2 3.39Å; N132-W134 PolarHBondContact O-N 3.49Å; N132-G135 WeakPolarHBondContact CB-O 3.28Å; N132-G135 PolarHBondContact N-O 3.25Å; N132-G135 PolarHBondContact O-N 2.65Å; N132-Y137 PolarHBondContact ND2-O 3.06Å
133A81.6Confident74.5Confident69 Ų6993.9 Ų93.957%0.5748%0.476SS*.THydrogen-bonded Turntrans-62.3-18.3178.400000113.1Y170A133-Y170 HydrophobicContact CB-CD1 4.22Å; A133-Y170 HydrophobicContact CB-CD2 3.37Å; A133-Y170 HydrophobicContact CB-CE1 4.19Å; A133-Y170 HydrophobicContact CB-CE2 3.33Å; A133-Y170 HydrophobicContact CB-CG 3.83Å
134W85.8Confident77.1Confident45 Ų4587.9 Ų87.917%0.1745%0.449CS..THydrogen-bonded Turntrans-98.814.6171.659.787000114.2N132 Y137 Y139 L142 V168 Y170 F171N132-W134 HydrophobicContact CB-CD2 3.59Å; N132-W134 HydrophobicContact CB-CE3 3.97Å; N132-W134 HydrophobicContact CB-CG 4.1Å; N132-W134 HydrophobicContact CB-CH2 3.92Å; N132-W134 HydrophobicContact CB-CZ2 3.54Å; N132-W134 HydrophobicContact CB-CZ3 4.12Å; N132-W134 VanDerWaalsContact CG-CZ2 3.46Å; N132-W134 WeakPolarHBondContact ND2-CZ2 3.39Å; N132-W134 PolarHBondContact O-N 3.49Å; W134-Y137 PolarHBondContact NE1-O 3.28Å; W134-Y139 AromaticContact CH2-CE1 3.92Å; W134-Y139 HydrophobicContact CH2-CE1 3.92Å; W134-Y139 AromaticContact CH2-CE2 3.82Å; W134-Y139 HydrophobicContact CH2-CE2 3.82Å; W134-Y139 AromaticContact CH2-CZ 3.4Å; W134-Y139 VanDerWaalsContact CH2-OH 3.29Å; W134-Y139 WeakPolarHBondContact CH2-OH 3.17Å; W134-Y139 HydrophobicContact CZ2-CD1 4.26Å; W134-Y139 HydrophobicContact CZ2-CD2 4.31Å; W134-Y139 AromaticContact CZ2-CE1 3.83Å; W134-Y139 HydrophobicContact CZ2-CE1 3.83Å; W134-Y139 AromaticContact CZ2-CE2 3.89Å; W134-Y139 HydrophobicContact CZ2-CE2 3.89Å; W134-Y139 HydrophobicContact CZ2-CG 4.5Å; W134-Y139 AromaticContact CZ2-CZ 3.65Å; W134-L142 HydrophobicContact CG-CD1 4.26Å; W134-V168 HydrophobicContact CB-CG1 3.34Å; W134-V168 HydrophobicContact CG-CG1 4.14Å; W134-Y170 AromaticContact CE3-CD1 3.67Å; W134-Y170 HydrophobicContact CE3-CD1 3.67Å; W134-Y170 HydrophobicContact CE3-CE1 4.02Å; W134-Y170 HydrophobicContact CE3-CG 4.39Å; W134-Y170 HydrophobicContact CZ3-CD1 4.17Å; W134-Y170 HydrophobicContact CZ3-CE1 4.06Å; W134-F171 HydrophobicContact CD2-CE2 4.04Å; W134-F171 HydrophobicContact CD2-CZ 4.28Å; W134-F171 AromaticContact CE3-CE2 3.86Å; W134-F171 HydrophobicContact CE3-CE2 3.86Å; W134-F171 AromaticContact CE3-CZ 3.69Å; W134-F171 HydrophobicContact CE3-CZ 3.69Å; W134-F171 HydrophobicContact CH2-CZ 4.26Å; W134-F171 HydrophobicContact CZ3-CE2 4.29Å; W134-F171 AromaticContact CZ3-CZ 3.69Å; W134-F171 HydrophobicContact CZ3-CZ 3.69Å
135G89.6Confident79.4Confident22 Ų2283 Ų8323%0.22742%0.421CS..BIsolated β-bridgetrans101.6-140.6175.500000114.8N132N132-G135 WeakPolarHBondContact CB-O 3.28Å; N132-G135 PolarHBondContact N-O 3.25Å; N132-G135 PolarHBondContact O-N 2.65Å
136N90.5Very high81.8Confident104 Ų10473.8 Ų73.856%0.55639%0.387SS*.SBendtrans-102.75.9-172.157.4-90.9000114.5R131R131-N136 PolarHBondContact NH2-OD1 2.88Å; R131-N136 VanDerWaalsContact NH2-OD1 3.08Å
137Y91.3Very high84.1Confident105 Ų10564.6 Ų64.641%0.41235%0.347SS..  trans-82.6135.1174.9-65.6-62.8000111N132 W134 D141 L142N132-Y137 PolarHBondContact ND2-O 3.06Å; W134-Y137 PolarHBondContact NE1-O 3.28Å; Y137-D141 HydrophobicContact CD1-CB 3.98Å; Y137-L142 HydrophobicContact CD2-CD2 4.37Å; Y137-L142 HydrophobicContact CG-CD2 4.34Å
138S94.1Very high86.3Confident51 Ų5163 Ų6336%0.35733%0.328SS..  trans-71.8161.3165.8-173.70000110.4A140 D141 L142S138-A140 PolarHBondContact O-N 3.3Å; S138-D141 WeakPolarHBondContact CB-OD2 3.5Å; S138-D141 PolarHBondContact N-OD2 2.97Å; S138-D141 PolarHBondContact O-N 3.37Å; S138-L142 PolarHBondContact O-N 3.26Å
139Y95.1Very high88.3Confident42 Ų4262 Ų6217%0.16532%0.32CS..Hα-helixtrans-55.5-38168-75.4-62.6000111.4W134 D141 L142 I143 F171 S186 I187W134-Y139 AromaticContact CH2-CE1 3.92Å; W134-Y139 HydrophobicContact CH2-CE1 3.92Å; W134-Y139 AromaticContact CH2-CE2 3.82Å; W134-Y139 HydrophobicContact CH2-CE2 3.82Å; W134-Y139 AromaticContact CH2-CZ 3.4Å; W134-Y139 VanDerWaalsContact CH2-OH 3.29Å; W134-Y139 WeakPolarHBondContact CH2-OH 3.17Å; W134-Y139 HydrophobicContact CZ2-CD1 4.26Å; W134-Y139 HydrophobicContact CZ2-CD2 4.31Å; W134-Y139 AromaticContact CZ2-CE1 3.83Å; W134-Y139 HydrophobicContact CZ2-CE1 3.83Å; W134-Y139 AromaticContact CZ2-CE2 3.89Å; W134-Y139 HydrophobicContact CZ2-CE2 3.89Å; W134-Y139 HydrophobicContact CZ2-CG 4.5Å; W134-Y139 AromaticContact CZ2-CZ 3.65Å; Y139-D141 VanDerWaalsContact C-N 3.3Å; Y139-D141 PolarHBondContact O-N 3.33Å; Y139-L142 PolarHBondContact O-N 3.27Å; Y139-I143 WeakPolarHBondContact O-CB 3.35Å; Y139-I143 WeakPolarHBondContact O-CD1 3.29Å; Y139-I143 WeakPolarHBondContact O-CG1 3.45Å; Y139-I143 PolarHBondContact O-N 3.4Å; Y139-F171 HydrophobicContact CE1-CE2 4.35Å; Y139-F171 AromaticContact CE1-CZ 3.91Å; Y139-F171 HydrophobicContact CE1-CZ 3.91Å; Y139-S186 WeakPolarHBondContact CE2-OG 3.41Å; Y139-S186 PolarHBondContact OH-OG 3.25Å; Y139-I187 HydrophobicContact CD1-CD1 3.57Å; Y139-I187 HydrophobicContact CE1-CD1 4.17Å; Y139-I187 HydrophobicContact CG-CD1 4.3Å
140A94.8Very high90.1Very high11 Ų1158.7 Ų58.79%0.09129%0.292CS..Hα-helixtrans-60.4-36.317400000113.2S138 T144 N190 F197S138-A140 PolarHBondContact O-N 3.3Å; A140-T144 WeakPolarHBondContact O-CB 3.46Å; A140-T144 PolarHBondContact O-N 3.41Å; A140-T144 PolarHBondContact O-OG1 3.37Å; A140-N190 PolarHBondContact N-OD1 3.35Å; A140-F197 HydrophobicContact CB-CE2 4.34Å; A140-F197 HydrophobicContact CB-CZ 4.39Å; A140-F197 WeakPolarHBondContact O-CZ 3.4Å
141D95.1Very high91.8Very high61 Ų6153.4 Ų53.433%0.32629%0.289SS..Hα-helixtrans-73.4-43.2178.7-53.8-47.9000110.6Y137 S138 Y139 T144 Q145Y137-D141 HydrophobicContact CD1-CB 3.98Å; S138-D141 WeakPolarHBondContact CB-OD2 3.5Å; S138-D141 PolarHBondContact N-OD2 2.97Å; S138-D141 PolarHBondContact O-N 3.37Å; Y139-D141 VanDerWaalsContact C-N 3.3Å; Y139-D141 PolarHBondContact O-N 3.33Å; D141-T144 WeakPolarHBondContact O-CB 3.46Å; D141-T144 PolarHBondContact O-N 2.78Å; D141-Q145 WeakPolarHBondContact O-CG 3.41Å; D141-Q145 PolarHBondContact O-N 3.21Å
142L95.3Very high92.7Very high4 Ų450.2 Ų50.22%0.02128%0.281CS..Hα-helixtrans-62.7-41.1175.2-66179.2000112.3W134 Y137 S138 Y139 T144 Q145 A146 W163 M164 V168W134-L142 HydrophobicContact CG-CD1 4.26Å; Y137-L142 HydrophobicContact CD2-CD2 4.37Å; Y137-L142 HydrophobicContact CG-CD2 4.34Å; S138-L142 PolarHBondContact O-N 3.26Å; Y139-L142 PolarHBondContact O-N 3.27Å; L142-T144 VanDerWaalsContact C-N 3.33Å; L142-Q145 PolarHBondContact O-N 3.5Å; L142-A146 WeakPolarHBondContact O-CB 3.19Å; L142-A146 PolarHBondContact O-N 2.87Å; L142-W163 HydrophobicContact CB-CZ3 4.27Å; L142-W163 HydrophobicContact CD2-CZ3 4.41Å; L142-W163 WeakPolarHBondContact O-CZ3 3.42Å; L142-M164 HydrophobicContact CB-CE 3.53Å; L142-M164 HydrophobicContact CB-SD 3.79Å; L142-M164 HydrophobicContact CD1-SD 3.95Å; L142-V168 HydrophobicContact CD1-CG2 4.12Å; L142-V168 HydrophobicContact CD2-CG2 3.83Å
143I96.1Very high93.2Very high0 Ų052.4 Ų52.40%029%0.287CS..Hα-helixtrans-65.6-38.7174.7-66.4161.1000110.5Y139 A146 I147 I160 M164 I187 N190 L191 F197Y139-I143 WeakPolarHBondContact O-CB 3.35Å; Y139-I143 WeakPolarHBondContact O-CD1 3.29Å; Y139-I143 WeakPolarHBondContact O-CG1 3.45Å; Y139-I143 PolarHBondContact O-N 3.4Å; I143-A146 PolarHBondContact O-N 3Å; I143-I147 HydrophobicContact CG2-CD1 3.9Å; I143-I147 WeakPolarHBondContact O-CG1 3.28Å; I143-I147 PolarHBondContact O-N 2.92Å; I143-I147 VanDerWaalsContact O-N 3.07Å; I143-I160 HydrophobicContact CG1-CG2 4.23Å; I143-M164 HydrophobicContact CB-CE 4.48Å; I143-M164 HydrophobicContact CG1-CE 3.74Å; I143-I187 HydrophobicContact CD1-CD1 3.94Å; I143-I187 HydrophobicContact CD1-CG2 4.2Å; I143-I187 HydrophobicContact CG1-CD1 3.93Å; I143-I187 HydrophobicContact CG1-CG2 4.43Å; I143-N190 HydrophobicContact CD1-CB 3.62Å; I143-L191 HydrophobicContact CD1-CD2 4.49Å; I143-L191 HydrophobicContact CD1-CG 4.27Å; I143-L191 HydrophobicContact CG2-CD2 3.61Å; I143-L191 HydrophobicContact CG2-CG 4.48Å; I143-F197 HydrophobicContact CB-CE1 4.1Å; I143-F197 HydrophobicContact CB-CE2 4.48Å; I143-F197 HydrophobicContact CB-CZ 3.83Å; I143-F197 HydrophobicContact CG2-CD1 3.9Å; I143-F197 HydrophobicContact CG2-CE1 3.45Å; I143-F197 VanDerWaalsContact CG2-CE1 3.45Å; I143-F197 HydrophobicContact CG2-CE2 4.18Å; I143-F197 HydrophobicContact CG2-CG 4.45Å; I143-F197 HydrophobicContact CG2-CZ 3.6Å
144T96Very high93.8Very high15 Ų1553 Ų539%0.09228%0.275CS..Hα-helixtrans-61.2-48.6174.6-55.30000110.1A140 D141 L142 A146 I147 E148 R196 V213A140-T144 WeakPolarHBondContact O-CB 3.46Å; A140-T144 PolarHBondContact O-N 3.41Å; A140-T144 PolarHBondContact O-OG1 3.37Å; D141-T144 WeakPolarHBondContact O-CB 3.46Å; D141-T144 PolarHBondContact O-N 2.78Å; L142-T144 VanDerWaalsContact C-N 3.33Å; T144-A146 PolarHBondContact O-N 2.98Å; T144-I147 PolarHBondContact O-N 3.22Å; T144-E148 HydrophobicContact CG2-CG 4.45Å; T144-E148 WeakPolarHBondContact O-CB 3.42Å; T144-E148 WeakPolarHBondContact O-CG 3.1Å; T144-E148 PolarHBondContact O-N 3.32Å; T144-R196 WeakPolarHBondContact OG1-CD 3.32Å; T144-R196 PolarHBondContact OG1-NH1 3.22Å; T144-V213 HydrophobicContact CG2-CG1 4.49Å; T144-V213 HydrophobicContact CG2-CG2 4.1Å
145Q95.5Very high94.3Very high70 Ų7051.7 Ų51.733%0.32727%0.271SS..Hα-helixtrans-62.7-38.8176.6-70.9172.911.600112.8D141 L142 E148 S149 W163D141-Q145 WeakPolarHBondContact O-CG 3.41Å; D141-Q145 PolarHBondContact O-N 3.21Å; L142-Q145 PolarHBondContact O-N 3.5Å; Q145-E148 PolarHBondContact O-N 2.81Å; Q145-S149 VanDerWaalsContact O-CB 3.3Å; Q145-S149 WeakPolarHBondContact O-CB 3.49Å; Q145-S149 PolarHBondContact O-N 3.34Å; Q145-W163 HydrophobicContact CB-CH2 3.73Å; Q145-W163 HydrophobicContact CB-CZ2 3.95Å
146A96.8Very high94.7Very high0 Ų051.2 Ų51.20%026%0.264CS..Hα-helixtrans-57.7-54.2175.100000111.2L142 I143 T144 S149 S150 L155 W163L142-A146 WeakPolarHBondContact O-CB 3.19Å; L142-A146 PolarHBondContact O-N 2.87Å; I143-A146 PolarHBondContact O-N 3Å; T144-A146 PolarHBondContact O-N 2.98Å; A146-S149 PolarHBondContact O-N 3.34Å; A146-S149 PolarHBondContact O-OG 3.06Å; A146-S150 PolarHBondContact O-N 2.87Å; A146-L155 HydrophobicContact CB-CD1 4Å; A146-L155 WeakPolarHBondContact O-CD1 3.49Å; A146-W163 VanDerWaalsContact CA-CE2 3.47Å; A146-W163 HydrophobicContact CB-CB 4.16Å; A146-W163 HydrophobicContact CB-CD2 3.45Å; A146-W163 VanDerWaalsContact CB-CD2 3.45Å; A146-W163 HydrophobicContact CB-CE3 3.59Å; A146-W163 HydrophobicContact CB-CG 3.69Å; A146-W163 HydrophobicContact CB-CZ2 4.46Å; A146-W163 HydrophobicContact CB-CZ3 4.17Å
147I96.3Very high94.9Very high1 Ų148.4 Ų48.41%0.00525%0.249CC..Hα-helixtrans-67.9-38.3-178.9-63168.5000111.1I143 T144 S149 S150 K153 L155 I160 F197 W211 V213I143-I147 HydrophobicContact CG2-CD1 3.9Å; I143-I147 WeakPolarHBondContact O-CG1 3.28Å; I143-I147 PolarHBondContact O-N 2.92Å; I143-I147 VanDerWaalsContact O-N 3.07Å; T144-I147 PolarHBondContact O-N 3.22Å; I147-S149 VanDerWaalsContact C-N 3.3Å; I147-S149 PolarHBondContact O-N 3.4Å; I147-S150 PolarHBondContact O-N 3.29Å; I147-K153 WeakPolarHBondContact CG2-O 3.38Å; I147-L155 HydrophobicContact CG1-CB 4.35Å; I147-L155 HydrophobicContact CG1-CD1 4.46Å; I147-I160 HydrophobicContact CD1-CD1 4.37Å; I147-I160 HydrophobicContact CG1-CD1 4.42Å; I147-F197 HydrophobicContact CD1-CD1 4.13Å; I147-F197 HydrophobicContact CD1-CE1 4.45Å; I147-W211 HydrophobicContact CD1-CB 4.21Å; I147-V213 HydrophobicContact CB-CG2 3.89Å; I147-V213 HydrophobicContact CD1-CG2 4.08Å; I147-V213 HydrophobicContact CG2-CB 4.37Å; I147-V213 HydrophobicContact CG2-CG2 3.88Å
148E95.5Very high95.1Very high74 Ų7446.6 Ų46.635%0.34625%0.251SS..Hα-helixtrans-70.3-22.1174.9-74.7-160.5122.400113.6T144 Q145 S150 K153 K219T144-E148 HydrophobicContact CG2-CG 4.45Å; T144-E148 WeakPolarHBondContact O-CB 3.42Å; T144-E148 WeakPolarHBondContact O-CG 3.1Å; T144-E148 PolarHBondContact O-N 3.32Å; Q145-E148 PolarHBondContact O-N 2.81Å; E148-S150 VanDerWaalsContact C-N 3.35Å; E148-K153 PolarHBondContact O-NZ 2.82Å; E148-K219 VanDerWaalsContact OE1-CE 3.28Å; E148-K219 WeakPolarHBondContact OE1-CE 3.42Å; E148-K219 IonicContact OE1-NZ 2.77Å; E148-K219 PolarHBondContact OE1-NZ 3.09Å
149S95.3Very high95.2Very high71 Ų7147.4 Ų47.450%0.49725%0.25SC..Hα-helixtrans-75.6-21.3173.677.50000113.4Q145 A146 I147 W163Q145-S149 VanDerWaalsContact O-CB 3.3Å; Q145-S149 WeakPolarHBondContact O-CB 3.49Å; Q145-S149 PolarHBondContact O-N 3.34Å; A146-S149 PolarHBondContact O-N 3.34Å; A146-S149 PolarHBondContact O-OG 3.06Å; I147-S149 VanDerWaalsContact C-N 3.3Å; I147-S149 PolarHBondContact O-N 3.4Å; S149-W163 PolarHBondContact OG-NE1 3.4Å
150S94.1Very high95.2Very high11 Ų1145.4 Ų45.48%0.07724%0.242CC..SBendtrans-74.7144.1176.3104.40000110.7A146 I147 E148 E152 K153 R154A146-S150 PolarHBondContact O-N 2.87Å; I147-S150 PolarHBondContact O-N 3.29Å; E148-S150 VanDerWaalsContact C-N 3.35Å; S150-E152 VanDerWaalsContact C-N 3.27Å; S150-E152 PolarHBondContact O-N 3.09Å; S150-K153 WeakPolarHBondContact O-CD 3.39Å; S150-K153 PolarHBondContact O-N 2.68Å; S150-K153 PolarHBondContact O-NZ 3.46Å; S150-K153 PolarHBondContact OG-N 3.31Å; S150-K153 VanDerWaalsContact OG-N 3.14Å; S150-R154 PolarHBondContact OG-N 3.04Å; S150-R154 PolarHBondContact OG-O 3.4Å
151P93Very high95.2Very high124 Ų12446.5 Ų46.581%0.80524%0.244SC*.THydrogen-bonded Turntrans-65.5-34.4179.225.1-32.5000111.5K153P151-K153 VanDerWaalsContact C-N 3.34Å; P151-K153 PolarHBondContact O-N 3.38Å
152E91.4Very high95.2Very high109 Ų10946.6 Ų46.651%0.50924%0.244SC..THydrogen-bonded Turntrans-84.2-1.7-178.3-55.4-170.813800114.1S150 R154S150-E152 VanDerWaalsContact C-N 3.27Å; S150-E152 PolarHBondContact O-N 3.09Å; E152-R154 HydrophobicContact CB-CG 3.74Å; E152-R154 PolarHBondContact O-N 3.35Å; E152-R154 VanDerWaalsContact O-N 3.07Å; E152-R154 IonicContact OE1-CZ 3.85Å; E152-R154 IonicContact OE1-NE 3.98Å; E152-R154 IonicContact OE1-NH2 3.72Å; E152-R154 PolarHBondContact OE1-NH2 2.77Å; E152-R154 IonicContact OE2-CZ 3.29Å; E152-R154 VanDerWaalsContact OE2-CZ 3.29Å; E152-R154 IonicContact OE2-NE 2.72Å; E152-R154 PolarHBondContact OE2-NE 3.02Å; E152-R154 IonicContact OE2-NH2 3.63Å; E152-R154 PolarHBondContact OE2-NH2 3Å
153K94.8Very high95.2Very high111 Ų11147.7 Ų47.748%0.48325%0.248SC..SBendtrans52.527.1-174.9-50.4-58.3169-147.20114.6I147 E148 S150 P151I147-K153 WeakPolarHBondContact CG2-O 3.38Å; E148-K153 PolarHBondContact O-NZ 2.82Å; S150-K153 WeakPolarHBondContact O-CD 3.39Å; S150-K153 PolarHBondContact O-N 2.68Å; S150-K153 PolarHBondContact O-NZ 3.46Å; S150-K153 PolarHBondContact OG-N 3.31Å; S150-K153 VanDerWaalsContact OG-N 3.14Å; P151-K153 VanDerWaalsContact C-N 3.34Å; P151-K153 PolarHBondContact O-N 3.38Å
154R94.6Very high95.1Very high81 Ų8147.7 Ų47.731%0.30625%0.248SC..EExtended strand (participates in β ladder)trans-136.8148.517466.6-174.3177.2-170-6.1110S150 E152 W210 W211 I212S150-R154 PolarHBondContact OG-N 3.04Å; S150-R154 PolarHBondContact OG-O 3.4Å; E152-R154 HydrophobicContact CB-CG 3.74Å; E152-R154 PolarHBondContact O-N 3.35Å; E152-R154 VanDerWaalsContact O-N 3.07Å; E152-R154 IonicContact OE1-CZ 3.85Å; E152-R154 IonicContact OE1-NE 3.98Å; E152-R154 IonicContact OE1-NH2 3.72Å; E152-R154 PolarHBondContact OE1-NH2 2.77Å; E152-R154 IonicContact OE2-CZ 3.29Å; E152-R154 VanDerWaalsContact OE2-CZ 3.29Å; E152-R154 IonicContact OE2-NE 2.72Å; E152-R154 PolarHBondContact OE2-NE 3.02Å; E152-R154 IonicContact OE2-NH2 3.63Å; E152-R154 PolarHBondContact OE2-NH2 3Å; R154-W210 HydrophobicContact CB-CB 4.39Å; R154-W210 HydrophobicContact CB-CD2 4.48Å; R154-W210 HydrophobicContact CB-CE3 4.11Å; R154-W210 HydrophobicContact CG-CD2 4.08Å; R154-W210 HydrophobicContact CG-CE3 3.73Å; R154-W210 HydrophobicContact CG-CZ3 4.12Å; R154-W211 WeakPolarHBondContact CA-O 3.45Å; R154-I212 HydrophobicContact CB-CG2 3.63Å
155L96.4Very high95Very high18 Ų1848.4 Ų48.49%0.09425%0.253CS..EExtended strand (participates in β ladder)trans-144.7145.9170.4-72-178.3000110.5A146 I147 Q159 I160 W211A146-L155 HydrophobicContact CB-CD1 4Å; A146-L155 WeakPolarHBondContact O-CD1 3.49Å; I147-L155 HydrophobicContact CG1-CB 4.35Å; I147-L155 HydrophobicContact CG1-CD1 4.46Å; L155-Q159 HydrophobicContact CB-CB 4.28Å; L155-Q159 HydrophobicContact CD2-CB 3.94Å; L155-I160 HydrophobicContact CB-CD1 4.35Å; L155-I160 HydrophobicContact CB-CG1 3.81Å; L155-I160 HydrophobicContact CD1-CG1 4.04Å; L155-W211 PolarHBondContact N-O 2.97Å; L155-W211 PolarHBondContact O-N 3.08Å
156T96.4Very high94.8Very high13 Ų1353.3 Ų53.38%0.0827%0.268CS..EExtended strand (participates in β ladder)trans-74.1161.6166.562.80000110.9S158 Q159 I160 W210T156-S158 PolarHBondContact O-N 2.96Å; T156-Q159 PolarHBondContact O-N 3.3Å; T156-Q159 VanDerWaalsContact O-N 3.15Å; T156-Q159 WeakPolarHBondContact OG1-CG 3.41Å; T156-Q159 PolarHBondContact OG1-OE1 3.13Å; T156-I160 PolarHBondContact O-N 2.95Å; T156-I160 VanDerWaalsContact O-N 3.16Å; T156-W210 HydrophobicContact CG2-CD2 4.17Å; T156-W210 HydrophobicContact CG2-CE3 3.73Å; T156-W210 HydrophobicContact CG2-CH2 4.21Å; T156-W210 HydrophobicContact CG2-CZ3 3.76Å
157L95.8Very high94.6Very high44 Ų4456.3 Ų56.323%0.2329%0.289CS..Hα-helixtrans-55.1-37.4178.8179.160.9000113.3I160 Y161 I187 R188 L191L157-I160 PolarHBondContact O-N 3.18Å; L157-Y161 HydrophobicContact CD1-CE1 3.82Å; L157-Y161 HydrophobicContact CG-CE1 4.24Å; L157-Y161 HydrophobicContact CG-CE2 4.03Å; L157-Y161 PolarHBondContact O-N 3.33Å; L157-I187 HydrophobicContact CD1-CG2 4.3Å; L157-R188 HydrophobicContact CD1-CG 4Å; L157-R188 HydrophobicContact CD2-CG 3.98Å; L157-L191 HydrophobicContact CD1-CD1 3.62Å
158S94.6Very high94.3Very high67 Ų6756.8 Ų56.847%0.46929%0.292SS..Hα-helixtrans-65.2-49.3176.9-159.40000111.2T156 I160 Y161 D162T156-S158 PolarHBondContact O-N 2.96Å; S158-I160 PolarHBondContact O-N 3.32Å; S158-I160 VanDerWaalsContact O-N 3.12Å; S158-Y161 WeakPolarHBondContact O-CA 3.35Å; S158-Y161 WeakPolarHBondContact O-CB 3.34Å; S158-Y161 PolarHBondContact O-N 2.78Å; S158-D162 PolarHBondContact O-N 3.38Å; S158-D162 VanDerWaalsContact O-OD1 3.08Å
159Q95.8Very high94Very high68 Ų6858 Ų5832%0.31831%0.306SS..Hα-helixtrans-61.2-26.9-179.4-65.8164.5-53.400112.8L155 T156 D162 W163L155-Q159 HydrophobicContact CB-CB 4.28Å; L155-Q159 HydrophobicContact CD2-CB 3.94Å; T156-Q159 PolarHBondContact O-N 3.3Å; T156-Q159 VanDerWaalsContact O-N 3.15Å; T156-Q159 WeakPolarHBondContact OG1-CG 3.41Å; T156-Q159 PolarHBondContact OG1-OE1 3.13Å; Q159-D162 WeakPolarHBondContact CA-OD2 3.41Å; Q159-W163 VanDerWaalsContact O-CB 3.27Å; Q159-W163 WeakPolarHBondContact O-CB 3.39Å; Q159-W163 PolarHBondContact O-N 2.97Å
160I96.1Very high93.6Very high0 Ų059.4 Ų59.40%030%0.301CS..Hα-helixtrans-69.6-42.1171.4-63.1169000110.8I143 I147 L155 T156 L157 S158 W163 M164 I187 L191 W211I143-I160 HydrophobicContact CG1-CG2 4.23Å; I147-I160 HydrophobicContact CD1-CD1 4.37Å; I147-I160 HydrophobicContact CG1-CD1 4.42Å; L155-I160 HydrophobicContact CB-CD1 4.35Å; L155-I160 HydrophobicContact CB-CG1 3.81Å; L155-I160 HydrophobicContact CD1-CG1 4.04Å; T156-I160 PolarHBondContact O-N 2.95Å; T156-I160 VanDerWaalsContact O-N 3.16Å; L157-I160 PolarHBondContact O-N 3.18Å; S158-I160 PolarHBondContact O-N 3.32Å; S158-I160 VanDerWaalsContact O-N 3.12Å; I160-W163 PolarHBondContact O-N 2.86Å; I160-M164 HydrophobicContact CG2-CE 4.09Å; I160-M164 WeakPolarHBondContact O-CG 3.38Å; I160-M164 PolarHBondContact O-N 3.07Å; I160-M164 VanDerWaalsContact O-N 3.08Å; I160-I187 HydrophobicContact CG2-CG2 3.81Å; I160-L191 HydrophobicContact CD1-CD1 4.15Å; I160-L191 HydrophobicContact CD1-CD2 4.19Å; I160-W211 HydrophobicContact CD1-CB 4.13Å; I160-W211 HydrophobicContact CD1-CG 4.42Å
161Y94.8Very high93.2Very high34 Ų3459 Ų5913%0.13330%0.298CS..Hα-helixtrans-59.9-49.4172.2-54.6-37.5000110.9L157 S158 W163 M164 V165 W183 K184 I187 R188L157-Y161 HydrophobicContact CD1-CE1 3.82Å; L157-Y161 HydrophobicContact CG-CE1 4.24Å; L157-Y161 HydrophobicContact CG-CE2 4.03Å; L157-Y161 PolarHBondContact O-N 3.33Å; S158-Y161 WeakPolarHBondContact O-CA 3.35Å; S158-Y161 WeakPolarHBondContact O-CB 3.34Å; S158-Y161 PolarHBondContact O-N 2.78Å; Y161-W163 VanDerWaalsContact C-N 3.26Å; Y161-W163 PolarHBondContact O-N 2.92Å; Y161-M164 WeakPolarHBondContact O-CB 3.47Å; Y161-M164 PolarHBondContact O-N 3.33Å; Y161-M164 VanDerWaalsContact O-N 3.09Å; Y161-V165 WeakPolarHBondContact O-CG2 3.19Å; Y161-V165 PolarHBondContact O-N 3.07Å; Y161-V165 VanDerWaalsContact O-N 3.15Å; Y161-W183 HydrophobicContact CD1-CZ3 4.14Å; Y161-K184 HydrophobicContact CD1-CB 4.08Å; Y161-K184 HydrophobicContact CD1-CD 4.36Å; Y161-K184 HydrophobicContact CD1-CG 3.79Å; Y161-K184 HydrophobicContact CD2-CD 4.21Å; Y161-K184 HydrophobicContact CE1-CB 3.66Å; Y161-K184 HydrophobicContact CE1-CG 3.9Å; Y161-K184 HydrophobicContact CE2-CD 4.41Å; Y161-K184 HydrophobicContact CG-CD 4.18Å; Y161-K184 HydrophobicContact CG-CG 4.1Å; Y161-I187 HydrophobicContact CD1-CG2 4.33Å; Y161-I187 HydrophobicContact CE1-CB 4.24Å; Y161-I187 HydrophobicContact CE1-CG2 4.13Å; Y161-R188 PolarHBondContact OH-NH1 2.76Å
162D94.6Very high92.9Very high63 Ų6358.9 Ų58.934%0.33729%0.285SS..Hα-helixtrans-61.6-35.6-178.2-45.5-24.4000111.7S158 Q159 R166S158-D162 PolarHBondContact O-N 3.38Å; S158-D162 VanDerWaalsContact O-OD1 3.08Å; Q159-D162 WeakPolarHBondContact CA-OD2 3.41Å; D162-R166 WeakPolarHBondContact O-CB 3.15Å; D162-R166 WeakPolarHBondContact O-CG 3.35Å; D162-R166 PolarHBondContact O-N 3.2Å; D162-R166 PolarHBondContact O-NE 3.2Å; D162-R166 IonicContact OD2-NH2 3.01Å
163W95.5Very high92.4Very high28 Ų2860.3 Ų60.311%0.10630%0.296CS..Hα-helixtrans-67.2-42174.6-174.198.9000111.9L142 Q145 A146 S149 Q159 I160 Y161 V165 R166 S167 V168L142-W163 HydrophobicContact CB-CZ3 4.27Å; L142-W163 HydrophobicContact CD2-CZ3 4.41Å; L142-W163 WeakPolarHBondContact O-CZ3 3.42Å; Q145-W163 HydrophobicContact CB-CH2 3.73Å; Q145-W163 HydrophobicContact CB-CZ2 3.95Å; A146-W163 VanDerWaalsContact CA-CE2 3.47Å; A146-W163 HydrophobicContact CB-CB 4.16Å; A146-W163 HydrophobicContact CB-CD2 3.45Å; A146-W163 VanDerWaalsContact CB-CD2 3.45Å; A146-W163 HydrophobicContact CB-CE3 3.59Å; A146-W163 HydrophobicContact CB-CG 3.69Å; A146-W163 HydrophobicContact CB-CZ2 4.46Å; A146-W163 HydrophobicContact CB-CZ3 4.17Å; S149-W163 PolarHBondContact OG-NE1 3.4Å; Q159-W163 VanDerWaalsContact O-CB 3.27Å; Q159-W163 WeakPolarHBondContact O-CB 3.39Å; Q159-W163 PolarHBondContact O-N 2.97Å; I160-W163 PolarHBondContact O-N 2.86Å; Y161-W163 VanDerWaalsContact C-N 3.26Å; Y161-W163 PolarHBondContact O-N 2.92Å; W163-V165 VanDerWaalsContact C-N 3.31Å; W163-V165 PolarHBondContact O-N 3.47Å; W163-R166 PolarHBondContact O-N 3.42Å; W163-R166 VanDerWaalsContact O-N 3.16Å; W163-S167 VanDerWaalsContact CE2-OG 3.31Å; W163-S167 PolarHBondContact NE1-OG 2.84Å; W163-S167 WeakPolarHBondContact O-CB 3.4Å; W163-S167 PolarHBondContact O-N 2.93Å; W163-V168 HydrophobicContact CZ3-CG2 4.35Å
164M94.2Very high91.6Very high0 Ų061.3 Ų61.30%030%0.297CS..Hα-helixtrans-59.2-45177.4-64.6-81.4161.600110.8L142 I143 I160 Y161 V168 F171 W183 I187L142-M164 HydrophobicContact CB-CE 3.53Å; L142-M164 HydrophobicContact CB-SD 3.79Å; L142-M164 HydrophobicContact CD1-SD 3.95Å; I143-M164 HydrophobicContact CB-CE 4.48Å; I143-M164 HydrophobicContact CG1-CE 3.74Å; I160-M164 HydrophobicContact CG2-CE 4.09Å; I160-M164 WeakPolarHBondContact O-CG 3.38Å; I160-M164 PolarHBondContact O-N 3.07Å; I160-M164 VanDerWaalsContact O-N 3.08Å; Y161-M164 WeakPolarHBondContact O-CB 3.47Å; Y161-M164 PolarHBondContact O-N 3.33Å; Y161-M164 VanDerWaalsContact O-N 3.09Å; M164-V168 WeakPolarHBondContact O-CB 3.41Å; M164-V168 PolarHBondContact O-N 3.17Å; M164-F171 HydrophobicContact CB-CD2 4.35Å; M164-W183 HydrophobicContact CB-CH2 4.05Å; M164-W183 HydrophobicContact CB-CZ3 3.79Å; M164-W183 HydrophobicContact CG-CZ3 4.1Å; M164-I187 HydrophobicContact CE-CD1 3.68Å; M164-I187 HydrophobicContact CG-CD1 4.31Å; M164-I187 HydrophobicContact SD-CD1 3.99Å
165V93.6Very high90.6Very high30 Ų3057.6 Ų57.618%0.18228%0.283CS..Hα-helixtrans-62.3-42.3175.9179.80000111.3Y161 W163 K172 G175 W183Y161-V165 WeakPolarHBondContact O-CG2 3.19Å; Y161-V165 PolarHBondContact O-N 3.07Å; Y161-V165 VanDerWaalsContact O-N 3.15Å; W163-V165 VanDerWaalsContact C-N 3.31Å; W163-V165 PolarHBondContact O-N 3.47Å; V165-K172 WeakPolarHBondContact O-CG 3.49Å; V165-G175 VanDerWaalsContact CG2-CA 3.49Å; V165-W183 HydrophobicContact CG2-CH2 3.97Å; V165-W183 HydrophobicContact CG2-CZ2 3.91Å
166R92.3Very high89.4Confident173 Ų17364.2 Ų64.265%0.65332%0.319SS*.Hα-helixtrans-75.4-37.2-177.4-77.1179.5-87.7145.4-18.2114.6D162 W163D162-R166 WeakPolarHBondContact O-CB 3.15Å; D162-R166 WeakPolarHBondContact O-CG 3.35Å; D162-R166 PolarHBondContact O-N 3.2Å; D162-R166 PolarHBondContact O-NE 3.2Å; D162-R166 IonicContact OD2-NH2 3.01Å; W163-R166 PolarHBondContact O-N 3.42Å; W163-R166 VanDerWaalsContact O-N 3.16Å
167S90.9Very high88.4Confident63 Ų6366.6 Ų66.644%0.44134%0.336SS..Hα-helixtrans-102.4-18.2-170.2-65.80000114.5W163W163-S167 VanDerWaalsContact CE2-OG 3.31Å; W163-S167 PolarHBondContact NE1-OG 2.84Å; W163-S167 WeakPolarHBondContact O-CB 3.4Å; W163-S167 PolarHBondContact O-N 2.93Å
168V90.6Very high87Confident11 Ų1171.8 Ų71.87%0.06736%0.364CS..  trans-117.5109.8-178.4177.90000109.7W134 L142 W163 M164 Y170 F171W134-V168 HydrophobicContact CB-CG1 3.34Å; W134-V168 HydrophobicContact CG-CG1 4.14Å; L142-V168 HydrophobicContact CD1-CG2 4.12Å; L142-V168 HydrophobicContact CD2-CG2 3.83Å; W163-V168 HydrophobicContact CZ3-CG2 4.35Å; M164-V168 WeakPolarHBondContact O-CB 3.41Å; M164-V168 PolarHBondContact O-N 3.17Å; V168-Y170 PolarHBondContact O-N 3.21Å; V168-F171 HydrophobicContact CB-CD2 3.91Å; V168-F171 HydrophobicContact CG1-CD2 3.65Å; V168-F171 HydrophobicContact CG1-CE2 4.1Å; V168-F171 PolarHBondContact O-N 3.13Å
169P88.9Confident85.5Confident100 Ų10073.2 Ų73.265%0.64937%0.374SS*.Hα-helixtrans-51.7-36.5-174-31.436.5000115F171 K172P169-F171 PolarHBondContact O-N 2.73Å; P169-K172 WeakPolarHBondContact O-CB 3.4Å; P169-K172 PolarHBondContact O-N 3.24Å
170Y86.8Confident84.2Confident100 Ų10070.3 Ų70.339%0.39236%0.361SS..Hα-helixtrans-60.9-25.4178.3179.8-101.3000114.6A133 W134 V168A133-Y170 HydrophobicContact CB-CD1 4.22Å; A133-Y170 HydrophobicContact CB-CD2 3.37Å; A133-Y170 HydrophobicContact CB-CE1 4.19Å; A133-Y170 HydrophobicContact CB-CE2 3.33Å; A133-Y170 HydrophobicContact CB-CG 3.83Å; W134-Y170 AromaticContact CE3-CD1 3.67Å; W134-Y170 HydrophobicContact CE3-CD1 3.67Å; W134-Y170 HydrophobicContact CE3-CE1 4.02Å; W134-Y170 HydrophobicContact CE3-CG 4.39Å; W134-Y170 HydrophobicContact CZ3-CD1 4.17Å; W134-Y170 HydrophobicContact CZ3-CE1 4.06Å; V168-Y170 PolarHBondContact O-N 3.21Å
171F86.1Confident83.1Confident2 Ų273.1 Ų73.11%0.00938%0.384CS..Hα-helixtrans-97.1-7.8-179.5-66.6-63.5000113.9W134 Y139 M164 V168 P169 R174 G175 W183W134-F171 HydrophobicContact CD2-CE2 4.04Å; W134-F171 HydrophobicContact CD2-CZ 4.28Å; W134-F171 AromaticContact CE3-CE2 3.86Å; W134-F171 HydrophobicContact CE3-CE2 3.86Å; W134-F171 AromaticContact CE3-CZ 3.69Å; W134-F171 HydrophobicContact CE3-CZ 3.69Å; W134-F171 HydrophobicContact CH2-CZ 4.26Å; W134-F171 HydrophobicContact CZ3-CE2 4.29Å; W134-F171 AromaticContact CZ3-CZ 3.69Å; W134-F171 HydrophobicContact CZ3-CZ 3.69Å; Y139-F171 HydrophobicContact CE1-CE2 4.35Å; Y139-F171 AromaticContact CE1-CZ 3.91Å; Y139-F171 HydrophobicContact CE1-CZ 3.91Å; M164-F171 HydrophobicContact CB-CD2 4.35Å; V168-F171 HydrophobicContact CB-CD2 3.91Å; V168-F171 HydrophobicContact CG1-CD2 3.65Å; V168-F171 HydrophobicContact CG1-CE2 4.1Å; V168-F171 PolarHBondContact O-N 3.13Å; P169-F171 PolarHBondContact O-N 2.73Å; F171-R174 CarbonylContact O-C 3.34Å; F171-R174 PolarHBondContact O-N 2.73Å; F171-R174 VanDerWaalsContact O-N 3.16Å; F171-G175 PolarHBondContact O-N 3.22Å; F171-G175 VanDerWaalsContact O-N 3.11Å; F171-W183 HydrophobicContact CD1-CB 4.41Å; F171-W183 AromaticContact CD1-CD1 3.98Å; F171-W183 AromaticContact CD1-CD2 3.81Å; F171-W183 HydrophobicContact CD1-CD2 3.81Å; F171-W183 AromaticContact CD1-CE2 3.93Å; F171-W183 HydrophobicContact CD1-CE3 4.33Å; F171-W183 AromaticContact CD1-CG 3.86Å; F171-W183 HydrophobicContact CD1-CG 3.86Å; F171-W183 HydrophobicContact CE1-CB 3.65Å; F171-W183 AromaticContact CE1-CD2 3.89Å; F171-W183 HydrophobicContact CE1-CD2 3.89Å; F171-W183 HydrophobicContact CE1-CE3 4.35Å; F171-W183 AromaticContact CE1-CG 3.6Å; F171-W183 HydrophobicContact CE1-CG 3.6Å; F171-W183 HydrophobicContact CZ-CB 4.34Å
172K85.7Confident82.8Confident121 Ų12174 Ų7453%0.52640%0.404SS..Hα-helixtrans-54.1-59.8177.3-70.9179.168.8-170.80111.3V165 P169 R174 G175V165-K172 WeakPolarHBondContact O-CG 3.49Å; P169-K172 WeakPolarHBondContact O-CB 3.4Å; P169-K172 PolarHBondContact O-N 3.24Å; K172-R174 PolarHBondContact O-N 3.07Å; K172-G175 PolarHBondContact O-N 3.02Å
173D82.3Confident82.7Confident140 Ų14072 Ų7275%0.74939%0.392SS*.THydrogen-bonded Turntrans-79.19.9-176.7-33.5-47.6000112.2
174R77.8Confident82.6Confident132 Ų13272.9 Ų72.950%0.49840%0.397SS..THydrogen-bonded Turntrans-129.715.8-177.8-56.1-66.5-165.7165.62.1112F171 K172 S180 W183F171-R174 CarbonylContact O-C 3.34Å; F171-R174 PolarHBondContact O-N 2.73Å; F171-R174 VanDerWaalsContact O-N 3.16Å; K172-R174 PolarHBondContact O-N 3.07Å; R174-S180 PolarHBondContact O-OG 2.79Å; R174-W183 PolarHBondContact O-NE1 3.36Å
175G74.4Confident82.6Confident2 Ų277.1 Ų77.12%0.02142%0.419CS..SBendtrans-78.2-47.3-17800000113.9V165 F171 K172 S180 K184V165-G175 VanDerWaalsContact CG2-CA 3.49Å; F171-G175 PolarHBondContact O-N 3.22Å; F171-G175 VanDerWaalsContact O-N 3.11Å; K172-G175 PolarHBondContact O-N 3.02Å; G175-S180 PolarHBondContact O-OG 2.87Å; G175-S180 VanDerWaalsContact O-OG 3.07Å; G175-K184 PolarHBondContact O-NZ 3.2Å
176D70.2Confident82.6Confident157 Ų15777 Ų7784%0.8442%0.42SS*.SBendtrans-104.8-20.9-164.9-48.2-51.5000113.5
177S75Confident82.8Confident63 Ų6368.8 Ų68.844%0.44139%0.388SS..SBendtrans-61.8137.5174.6177.90000111.3S179 S180S177-S179 PolarHBondContact O-N 2.82Å; S177-S179 VanDerWaalsContact O-N 3.09Å; S177-S179 PolarHBondContact OG-N 2.93Å; S177-S180 WeakPolarHBondContact O-CB 3.4Å; S177-S180 PolarHBondContact O-N 2.68Å; S177-S180 PolarHBondContact O-OG 3.36Å
178N67.8Low83Confident154 Ų15470.5 Ų70.582%0.82439%0.385SS*.G310 helixtrans-55.2-29.4176.8-164.110.1000112.3S180 A181N178-S180 PolarHBondContact O-N 3.02Å; N178-A181 PolarHBondContact O-N 3.04Å
179S62.8Low83.3Confident96 Ų9674.8 Ų74.867%0.67140%0.404SS*.G310 helixtrans-58.3-8171.4-51.20000115S177 A181S177-S179 PolarHBondContact O-N 2.82Å; S177-S179 VanDerWaalsContact O-N 3.09Å; S177-S179 PolarHBondContact OG-N 2.93Å; S179-A181 PolarHBondContact O-N 3.38Å; S179-A181 VanDerWaalsContact O-N 3.13Å
180S66.9Low83.7Confident7 Ų770.7 Ų70.75%0.04938%0.377CS..G310 helixtrans-53.9-23.3169.8-66.20000114.7R174 G175 S177 N178 G182 W183 K184R174-S180 PolarHBondContact O-OG 2.79Å; G175-S180 PolarHBondContact O-OG 2.87Å; G175-S180 VanDerWaalsContact O-OG 3.07Å; S177-S180 WeakPolarHBondContact O-CB 3.4Å; S177-S180 PolarHBondContact O-N 2.68Å; S177-S180 PolarHBondContact O-OG 3.36Å; N178-S180 PolarHBondContact O-N 3.02Å; S180-G182 PolarHBondContact O-N 3.03Å; S180-G182 VanDerWaalsContact O-N 3.09Å; S180-W183 PolarHBondContact O-N 3.38Å; S180-K184 VanDerWaalsContact CB-CE 3.47Å; S180-K184 WeakPolarHBondContact O-CB 3.21Å; S180-K184 WeakPolarHBondContact O-CG 3.48Å; S180-K184 PolarHBondContact O-N 2.88Å; S180-K184 PolarHBondContact OG-NZ 3.07Å
181A74.6Confident84.1Confident59 Ų5966.1 Ų66.149%0.48836%0.359SS..Hα-helixtrans-48.8-41.3-171.300000113.6N178 S179 N185N178-A181 PolarHBondContact O-N 3.04Å; S179-A181 PolarHBondContact O-N 3.38Å; S179-A181 VanDerWaalsContact O-N 3.13Å; A181-N185 VanDerWaalsContact O-CB 3.26Å; A181-N185 WeakPolarHBondContact O-CB 3.47Å; A181-N185 PolarHBondContact O-N 2.85Å
182G88.3Confident84.5Confident53 Ų5370.3 Ų70.355%0.54639%0.389SS..Hα-helixtrans-62.6-52-179.100000113.9S180 N185 S186S180-G182 PolarHBondContact O-N 3.03Å; S180-G182 VanDerWaalsContact O-N 3.09Å; G182-N185 WeakPolarHBondContact O-CB 3.29Å; G182-N185 PolarHBondContact O-N 2.86Å; G182-S186 PolarHBondContact O-N 3.14Å; G182-S186 VanDerWaalsContact O-N 3.15Å
183W91.4Very high84.9Confident22 Ų2269.5 Ų69.58%0.08339%0.39CS..Hα-helixtrans-71.8-40.6-179.374.8-103.7000111.3Y161 M164 V165 F171 R174 S180 N185 S186 I187Y161-W183 HydrophobicContact CD1-CZ3 4.14Å; M164-W183 HydrophobicContact CB-CH2 4.05Å; M164-W183 HydrophobicContact CB-CZ3 3.79Å; M164-W183 HydrophobicContact CG-CZ3 4.1Å; V165-W183 HydrophobicContact CG2-CH2 3.97Å; V165-W183 HydrophobicContact CG2-CZ2 3.91Å; F171-W183 HydrophobicContact CD1-CB 4.41Å; F171-W183 AromaticContact CD1-CD1 3.98Å; F171-W183 AromaticContact CD1-CD2 3.81Å; F171-W183 HydrophobicContact CD1-CD2 3.81Å; F171-W183 AromaticContact CD1-CE2 3.93Å; F171-W183 HydrophobicContact CD1-CE3 4.33Å; F171-W183 AromaticContact CD1-CG 3.86Å; F171-W183 HydrophobicContact CD1-CG 3.86Å; F171-W183 HydrophobicContact CE1-CB 3.65Å; F171-W183 AromaticContact CE1-CD2 3.89Å; F171-W183 HydrophobicContact CE1-CD2 3.89Å; F171-W183 HydrophobicContact CE1-CE3 4.35Å; F171-W183 AromaticContact CE1-CG 3.6Å; F171-W183 HydrophobicContact CE1-CG 3.6Å; F171-W183 HydrophobicContact CZ-CB 4.34Å; R174-W183 PolarHBondContact O-NE1 3.36Å; S180-W183 PolarHBondContact O-N 3.38Å; W183-N185 PolarHBondContact O-N 2.84Å; W183-S186 PolarHBondContact O-N 3.48Å; W183-S186 PolarHBondContact O-OG 3.43Å; W183-I187 HydrophobicContact CE3-CG1 4.14Å; W183-I187 HydrophobicContact CZ3-CG1 4.32Å; W183-I187 PolarHBondContact O-N 3.47Å; W183-I187 VanDerWaalsContact O-N 3.12Å
184K93.3Very high85.4Confident46 Ų4666.2 Ų66.220%0.237%0.37CS..Hα-helixtrans-59.7-30.4173.5-66.8-179.1-176.8162.30111.5Y161 G175 S180 R188Y161-K184 HydrophobicContact CD1-CB 4.08Å; Y161-K184 HydrophobicContact CD1-CD 4.36Å; Y161-K184 HydrophobicContact CD1-CG 3.79Å; Y161-K184 HydrophobicContact CD2-CD 4.21Å; Y161-K184 HydrophobicContact CE1-CB 3.66Å; Y161-K184 HydrophobicContact CE1-CG 3.9Å; Y161-K184 HydrophobicContact CE2-CD 4.41Å; Y161-K184 HydrophobicContact CG-CD 4.18Å; Y161-K184 HydrophobicContact CG-CG 4.1Å; G175-K184 PolarHBondContact O-NZ 3.2Å; S180-K184 VanDerWaalsContact CB-CE 3.47Å; S180-K184 WeakPolarHBondContact O-CB 3.21Å; S180-K184 WeakPolarHBondContact O-CG 3.48Å; S180-K184 PolarHBondContact O-N 2.88Å; S180-K184 PolarHBondContact OG-NZ 3.07Å; K184-R188 PolarHBondContact O-N 3.29Å; K184-R188 PolarHBondContact O-NH1 3.25Å
185N94Very high86Confident89 Ų8965.2 Ų65.248%0.47638%0.383SS..Hα-helixtrans-70.6-43.3172.1-159.736.7000113.3A181 G182 W183 I187 R188 H189A181-N185 VanDerWaalsContact O-CB 3.26Å; A181-N185 WeakPolarHBondContact O-CB 3.47Å; A181-N185 PolarHBondContact O-N 2.85Å; G182-N185 WeakPolarHBondContact O-CB 3.29Å; G182-N185 PolarHBondContact O-N 2.86Å; W183-N185 PolarHBondContact O-N 2.84Å; N185-I187 PolarHBondContact O-N 3.45Å; N185-R188 PolarHBondContact O-N 3.43Å; N185-R188 VanDerWaalsContact O-N 3.13Å; N185-R188 PolarHBondContact OD1-NE 3.38Å; N185-R188 PolarHBondContact OD1-NH2 3.38Å; N185-H189 PolarHBondContact O-N 3.31Å
186S94.7Very high86.9Confident27 Ų2769.3 Ų69.319%0.18940%0.398CS..Hα-helixtrans-61.7-32176.461.10000113.1Y139 G182 W183 N190Y139-S186 WeakPolarHBondContact CE2-OG 3.41Å; Y139-S186 PolarHBondContact OH-OG 3.25Å; G182-S186 PolarHBondContact O-N 3.14Å; G182-S186 VanDerWaalsContact O-N 3.15Å; W183-S186 PolarHBondContact O-N 3.48Å; W183-S186 PolarHBondContact O-OG 3.43Å; S186-N190 WeakPolarHBondContact O-CB 3.26Å; S186-N190 PolarHBondContact O-N 3.07Å; S186-N190 PolarHBondContact O-ND2 2.71Å
187I95.7Very high88.2Confident0 Ų062.3 Ų62.30%036%0.36CS..Hα-helixtrans-62.6-51.2170.2-63.8-60.4000111.3Y139 I143 L157 I160 Y161 M164 W183 N185 H189 N190 L191Y139-I187 HydrophobicContact CD1-CD1 3.57Å; Y139-I187 HydrophobicContact CE1-CD1 4.17Å; Y139-I187 HydrophobicContact CG-CD1 4.3Å; I143-I187 HydrophobicContact CD1-CD1 3.94Å; I143-I187 HydrophobicContact CD1-CG2 4.2Å; I143-I187 HydrophobicContact CG1-CD1 3.93Å; I143-I187 HydrophobicContact CG1-CG2 4.43Å; L157-I187 HydrophobicContact CD1-CG2 4.3Å; I160-I187 HydrophobicContact CG2-CG2 3.81Å; Y161-I187 HydrophobicContact CD1-CG2 4.33Å; Y161-I187 HydrophobicContact CE1-CB 4.24Å; Y161-I187 HydrophobicContact CE1-CG2 4.13Å; M164-I187 HydrophobicContact CE-CD1 3.68Å; M164-I187 HydrophobicContact CG-CD1 4.31Å; M164-I187 HydrophobicContact SD-CD1 3.99Å; W183-I187 HydrophobicContact CE3-CG1 4.14Å; W183-I187 HydrophobicContact CZ3-CG1 4.32Å; W183-I187 PolarHBondContact O-N 3.47Å; W183-I187 VanDerWaalsContact O-N 3.12Å; N185-I187 PolarHBondContact O-N 3.45Å; I187-H189 VanDerWaalsContact C-N 3.29Å; I187-H189 PolarHBondContact O-N 2.72Å; I187-N190 PolarHBondContact O-N 3.01Å; I187-L191 HydrophobicContact CG2-CD1 3.97Å; I187-L191 WeakPolarHBondContact O-CG 3.41Å; I187-L191 PolarHBondContact O-N 3.07Å
188R96.3Very high89.1Confident99 Ų9962.1 Ų62.137%0.37436%0.356SS..Hα-helixtrans-57-42.1177.4-68.8-174.8-60.4-98.813112.4L157 Y161 K184 N185 L191 S192L157-R188 HydrophobicContact CD1-CG 4Å; L157-R188 HydrophobicContact CD2-CG 3.98Å; Y161-R188 PolarHBondContact OH-NH1 2.76Å; K184-R188 PolarHBondContact O-N 3.29Å; K184-R188 PolarHBondContact O-NH1 3.25Å; N185-R188 PolarHBondContact O-N 3.43Å; N185-R188 VanDerWaalsContact O-N 3.13Å; N185-R188 PolarHBondContact OD1-NE 3.38Å; N185-R188 PolarHBondContact OD1-NH2 3.38Å; R188-L191 PolarHBondContact O-N 3.15Å; R188-S192 PolarHBondContact O-N 3.22Å; R188-S192 PolarHBondContact O-OG 3.29Å
189H96.1Very high90.4Very high101 Ų10161 Ų6147%0.46834%0.344SS..Hα-helixtrans-64.9-43.6176.3174.869.3000112.6N185 I187 L191 S192 L193N185-H189 PolarHBondContact O-N 3.31Å; I187-H189 VanDerWaalsContact C-N 3.29Å; I187-H189 PolarHBondContact O-N 2.72Å; H189-L191 VanDerWaalsContact C-N 3.3Å; H189-L191 PolarHBondContact O-N 3.04Å; H189-S192 PolarHBondContact O-N 3.12Å; H189-S192 PolarHBondContact O-OG 3.3Å; H189-L193 WeakPolarHBondContact O-CB 3.48Å; H189-L193 PolarHBondContact O-N 3.44Å
190N96.9Very high91.9Very high15 Ų1559.1 Ų59.18%0.0833%0.328CS..Hα-helixtrans-64-36.3177.9-86.9-106.7000112.2A140 I143 S186 I187 S192 H194 F197A140-N190 PolarHBondContact N-OD1 3.35Å; I143-N190 HydrophobicContact CD1-CB 3.62Å; S186-N190 WeakPolarHBondContact O-CB 3.26Å; S186-N190 PolarHBondContact O-N 3.07Å; S186-N190 PolarHBondContact O-ND2 2.71Å; I187-N190 PolarHBondContact O-N 3.01Å; N190-S192 VanDerWaalsContact C-N 3.35Å; N190-S192 PolarHBondContact O-N 2.89Å; N190-H194 PolarHBondContact O-N 2.79Å; N190-F197 WeakPolarHBondContact O-CD2 3.49Å
191L95.8Very high93.1Very high3 Ų364 Ų642%0.01635%0.351CS..Hα-helixtrans-65.2-32.4177.1-73.2167.8000113.3I143 L157 I160 I187 R188 H189 F197 W211I143-L191 HydrophobicContact CD1-CD2 4.49Å; I143-L191 HydrophobicContact CD1-CG 4.27Å; I143-L191 HydrophobicContact CG2-CD2 3.61Å; I143-L191 HydrophobicContact CG2-CG 4.48Å; L157-L191 HydrophobicContact CD1-CD1 3.62Å; I160-L191 HydrophobicContact CD1-CD1 4.15Å; I160-L191 HydrophobicContact CD1-CD2 4.19Å; I187-L191 HydrophobicContact CG2-CD1 3.97Å; I187-L191 WeakPolarHBondContact O-CG 3.41Å; I187-L191 PolarHBondContact O-N 3.07Å; R188-L191 PolarHBondContact O-N 3.15Å; H189-L191 VanDerWaalsContact C-N 3.3Å; H189-L191 PolarHBondContact O-N 3.04Å; L191-F197 HydrophobicContact CD2-CB 4.06Å; L191-F197 HydrophobicContact CD2-CD1 4.36Å; L191-F197 HydrophobicContact CD2-CD2 4.22Å; L191-F197 HydrophobicContact CD2-CG 3.94Å; L191-W211 HydrophobicContact CB-CD2 4.22Å; L191-W211 HydrophobicContact CB-CE3 4.1Å; L191-W211 HydrophobicContact CB-CH2 3.83Å; L191-W211 HydrophobicContact CB-CZ2 3.98Å; L191-W211 HydrophobicContact CB-CZ3 3.9Å; L191-W211 HydrophobicContact CD1-CD2 4.2Å; L191-W211 HydrophobicContact CD1-CG 4.3Å; L191-W211 HydrophobicContact CD1-CZ2 4.47Å; L191-W211 HydrophobicContact CD2-CB 4.19Å; L191-W211 HydrophobicContact CD2-CD2 3.82Å; L191-W211 HydrophobicContact CD2-CE3 3.9Å; L191-W211 HydrophobicContact CD2-CG 3.95Å; L191-W211 HydrophobicContact CG-CD2 4.31Å; L191-W211 HydrophobicContact CG-CE3 4.49Å; L191-W211 WeakPolarHBondContact O-CZ3 3.27Å
192S94.1Very high93.8Very high91 Ų9162 Ų6264%0.63633%0.331SS*.Hα-helixtrans-92.3-29.2176.258.40000114.2R188 H189 N190R188-S192 PolarHBondContact O-N 3.22Å; R188-S192 PolarHBondContact O-OG 3.29Å; H189-S192 PolarHBondContact O-N 3.12Å; H189-S192 PolarHBondContact O-OG 3.3Å; N190-S192 VanDerWaalsContact C-N 3.35Å; N190-S192 PolarHBondContact O-N 2.89Å
193L94.5Very high93.7Very high103 Ų10367.6 Ų67.654%0.53934%0.343SS..Hα-helixtrans-70.6-40.5179.3-174.985.5000112.5H189H189-L193 WeakPolarHBondContact O-CB 3.48Å; H189-L193 PolarHBondContact O-N 3.44Å
194H92.6Very high93.1Very high72 Ų7268 Ų6833%0.33335%0.354SS..  trans-100.9113.6-172.1-69-54.4000112.5N190 R196 F197N190-H194 PolarHBondContact O-N 2.79Å; H194-R196 PolarHBondContact O-N 3.15Å; H194-F197 HydrophobicContact CB-CD2 3.87Å; H194-F197 HydrophobicContact CB-CE2 3.91Å; H194-F197 PolarHBondContact O-N 3.16Å
195S91.7Very high92.1Very high111 Ų11173 Ų7378%0.77639%0.389SS*.THydrogen-bonded Turntrans-62.70.2174.258.30000115.8F197S195-F197 VanDerWaalsContact C-N 3.26Å
196R93.3Very high91.3Very high87 Ų8772.9 Ų72.933%0.32841%0.409SS..THydrogen-bonded Turntrans-65.5-31161.9177.2179.3-75.41690.8111.2T144 H194 V213 N214 G217T144-R196 WeakPolarHBondContact OG1-CD 3.32Å; T144-R196 PolarHBondContact OG1-NH1 3.22Å; H194-R196 PolarHBondContact O-N 3.15Å; R196-V213 HydrophobicContact CG-CG1 4Å; R196-N214 VanDerWaalsContact O-CB 3.29Å; R196-N214 WeakPolarHBondContact O-CB 3.49Å; R196-N214 PolarHBondContact O-N 3.06Å; R196-G217 PolarHBondContact NE-O 3.23Å
197F95.8Very high90.8Very high11 Ų1177.9 Ų77.95%0.04843%0.427CS..EExtended strand (participates in β ladder)trans-97.1131.7179.8-50.7-59.5000110.2A140 I143 I147 N190 L191 H194 S195 W211 I212 V213A140-F197 HydrophobicContact CB-CE2 4.34Å; A140-F197 HydrophobicContact CB-CZ 4.39Å; A140-F197 WeakPolarHBondContact O-CZ 3.4Å; I143-F197 HydrophobicContact CB-CE1 4.1Å; I143-F197 HydrophobicContact CB-CE2 4.48Å; I143-F197 HydrophobicContact CB-CZ 3.83Å; I143-F197 HydrophobicContact CG2-CD1 3.9Å; I143-F197 HydrophobicContact CG2-CE1 3.45Å; I143-F197 VanDerWaalsContact CG2-CE1 3.45Å; I143-F197 HydrophobicContact CG2-CE2 4.18Å; I143-F197 HydrophobicContact CG2-CG 4.45Å; I143-F197 HydrophobicContact CG2-CZ 3.6Å; I147-F197 HydrophobicContact CD1-CD1 4.13Å; I147-F197 HydrophobicContact CD1-CE1 4.45Å; N190-F197 WeakPolarHBondContact O-CD2 3.49Å; L191-F197 HydrophobicContact CD2-CB 4.06Å; L191-F197 HydrophobicContact CD2-CD1 4.36Å; L191-F197 HydrophobicContact CD2-CD2 4.22Å; L191-F197 HydrophobicContact CD2-CG 3.94Å; H194-F197 HydrophobicContact CB-CD2 3.87Å; H194-F197 HydrophobicContact CB-CE2 3.91Å; H194-F197 PolarHBondContact O-N 3.16Å; S195-F197 VanDerWaalsContact C-N 3.26Å; F197-W211 HydrophobicContact CB-CE3 4.08Å; F197-W211 HydrophobicContact CB-CZ3 4.36Å; F197-I212 WeakPolarHBondContact CA-O 3.5Å; F197-V213 HydrophobicContact CD1-CG2 4.28Å; F197-V213 HydrophobicContact CE1-CG2 4.12Å
198V94.5Very high90.7Very high59 Ų5980.8 Ų80.836%0.35845%0.447SS..EExtended strand (participates in β ladder)trans-119.6127.9177.3179.30000108.4V200 W211 I212 N214V198-V200 HydrophobicContact CG1-CG2 4.31Å; V198-W211 WeakPolarHBondContact O-CA 3.4Å; V198-I212 HydrophobicContact CB-CD1 4.34Å; V198-I212 HydrophobicContact CB-CG1 3.82Å; V198-I212 PolarHBondContact N-O 2.9Å; V198-I212 PolarHBondContact O-N 3.09Å; V198-N214 HydrophobicContact CG2-CB 4.14Å
199K95.4Very high90.6Very high130 Ų13077.2 Ų77.257%0.56544%0.438SS*.EExtended strand (participates in β ladder)trans-81.3114.5172.4-166.8-175.470.9165.90109W210 W211K199-W210 CarbonylContact C-O 3.57Å; K199-W210 WeakPolarHBondContact CA-O 3.46Å; K199-W211 HydrophobicContact CB-CD2 4.36Å; K199-W211 HydrophobicContact CB-CE3 4.01Å; K199-W211 HydrophobicContact CB-CH2 3.86Å; K199-W211 HydrophobicContact CB-CZ2 4.18Å; K199-W211 HydrophobicContact CB-CZ3 3.76Å; K199-W211 HydrophobicContact CD-CH2 4.43Å; K199-W211 HydrophobicContact CD-CZ2 4.15Å; K199-W211 HydrophobicContact CG-CD2 4.48Å; K199-W211 HydrophobicContact CG-CH2 4.29Å; K199-W211 HydrophobicContact CG-CZ2 4.11Å
200V94.3Very high90.6Very high57 Ų5773.9 Ų73.935%0.34542%0.421SS..EExtended strand (participates in β ladder)trans-103.6132.4175.8178.30000108.3V198 S209 W210 I212V198-V200 HydrophobicContact CG1-CG2 4.31Å; V200-S209 WeakPolarHBondContact O-CB 3.3Å; V200-W210 HydrophobicContact CB-CB 4.27Å; V200-W210 PolarHBondContact N-O 3.36Å; V200-W210 PolarHBondContact O-N 3.12Å; V200-I212 HydrophobicContact CG2-CD1 3.78Å; V200-I212 HydrophobicContact CG2-CG1 3.95Å; V200-I212 HydrophobicContact CG2-CG2 4.16Å
201Q92.8Very high90.5Very high110 Ų11075 Ų7551%0.51442%0.424SS..PPolyproline II helixtrans-65.2148.7178.3-176.445.538.600110.5S209Q201-S209 PolarHBondContact OE1-OG 3.05Å
202N89Confident90.5Very high15 Ų1577 Ų778%0.0844%0.435CS..PPolyproline II helixtrans-91.3146.9177.2-152.3-23.9000110G204 K207 S208 W210N202-G204 PolarHBondContact O-N 3.09Å; N202-G204 VanDerWaalsContact O-N 3.07Å; N202-K207 HydrophobicContact CB-CB 4.38Å; N202-S208 WeakPolarHBondContact CB-O 3.18Å; N202-S208 PolarHBondContact ND2-O 3.34Å; N202-W210 PolarHBondContact ND2-NE1 2.96Å; N202-W210 PolarHBondContact OD1-NE1 3.11Å
203E85.9Confident90.6Very high171 Ų17173.7 Ų73.780%0.79941%0.41SS*.SBendtrans-62.2-17.5-174.3-48.1-53.813200113.8
204G78.6Confident90.3Very high30 Ų3071.1 Ų71.131%0.30940%0.397SS..SBendtrans-108.5124.3177.200000112.6N202 G206 K207N202-G204 PolarHBondContact O-N 3.09Å; N202-G204 VanDerWaalsContact O-N 3.07Å; G204-G206 PolarHBondContact O-N 3.45Å; G204-K207 WeakPolarHBondContact O-CB 3.34Å; G204-K207 PolarHBondContact O-N 3.21Å; G204-K207 VanDerWaalsContact O-N 3.07Å
205T72.8Confident89.9Confident153 Ų15371.9 Ų71.994%0.93941%0.408SS*.THydrogen-bonded Turntrans-52.2134.6169.3-52.40000110.7K207T205-K207 VanDerWaalsContact C-N 3.25Å; T205-K207 PolarHBondContact O-N 3.36Å
206G77.5Confident88.7Confident86 Ų8673.3 Ų73.389%0.88740%0.403SS*.THydrogen-bonded Turntrans80.6-11.9-176.900000115.5G204G204-G206 PolarHBondContact O-N 3.45Å
207K84Confident87.1Confident132 Ų13271 Ų7157%0.57441%0.405SS*.SBendtrans-83.9143.7175.2-158170.4-175.7173.80111.3N202 G204 T205N202-K207 HydrophobicContact CB-CB 4.38Å; G204-K207 WeakPolarHBondContact O-CB 3.34Å; G204-K207 PolarHBondContact O-N 3.21Å; G204-K207 VanDerWaalsContact O-N 3.07Å; T205-K207 VanDerWaalsContact C-N 3.25Å; T205-K207 PolarHBondContact O-N 3.36Å
208S91.8Very high85.5Confident60 Ų6072.5 Ų72.542%0.4242%0.424SS..PPolyproline II helixtrans-60137.1-178.152.90000112.4N202N202-S208 WeakPolarHBondContact CB-O 3.18Å; N202-S208 PolarHBondContact ND2-O 3.34Å
209S95Very high83.7Confident25 Ų2577.6 Ų77.618%0.17544%0.441CS..PPolyproline II helixtrans-61148.8178.9-480000112V200 Q201V200-S209 WeakPolarHBondContact O-CB 3.3Å; Q201-S209 PolarHBondContact OE1-OG 3.05Å
210W95.6Very high81.5Confident30 Ų3073.6 Ų73.611%0.11444%0.438CS..EExtended strand (participates in β ladder)trans-77.5147.7170.1-62.9107.2000110.7R154 T156 K199 V200 N202R154-W210 HydrophobicContact CB-CB 4.39Å; R154-W210 HydrophobicContact CB-CD2 4.48Å; R154-W210 HydrophobicContact CB-CE3 4.11Å; R154-W210 HydrophobicContact CG-CD2 4.08Å; R154-W210 HydrophobicContact CG-CE3 3.73Å; R154-W210 HydrophobicContact CG-CZ3 4.12Å; T156-W210 HydrophobicContact CG2-CD2 4.17Å; T156-W210 HydrophobicContact CG2-CE3 3.73Å; T156-W210 HydrophobicContact CG2-CH2 4.21Å; T156-W210 HydrophobicContact CG2-CZ3 3.76Å; K199-W210 CarbonylContact C-O 3.57Å; K199-W210 WeakPolarHBondContact CA-O 3.46Å; V200-W210 HydrophobicContact CB-CB 4.27Å; V200-W210 PolarHBondContact N-O 3.36Å; V200-W210 PolarHBondContact O-N 3.12Å; N202-W210 PolarHBondContact ND2-NE1 2.96Å; N202-W210 PolarHBondContact OD1-NE1 3.11Å
211W96.6Very high79.6Confident38 Ų3874.4 Ų74.414%0.14446%0.458CS..EExtended strand (participates in β ladder)trans-112.6129165.1-68.195.4000108.9I147 R154 L155 I160 L191 F197 V198 K199I147-W211 HydrophobicContact CD1-CB 4.21Å; R154-W211 WeakPolarHBondContact CA-O 3.45Å; L155-W211 PolarHBondContact N-O 2.97Å; L155-W211 PolarHBondContact O-N 3.08Å; I160-W211 HydrophobicContact CD1-CB 4.13Å; I160-W211 HydrophobicContact CD1-CG 4.42Å; L191-W211 HydrophobicContact CB-CD2 4.22Å; L191-W211 HydrophobicContact CB-CE3 4.1Å; L191-W211 HydrophobicContact CB-CH2 3.83Å; L191-W211 HydrophobicContact CB-CZ2 3.98Å; L191-W211 HydrophobicContact CB-CZ3 3.9Å; L191-W211 HydrophobicContact CD1-CD2 4.2Å; L191-W211 HydrophobicContact CD1-CG 4.3Å; L191-W211 HydrophobicContact CD1-CZ2 4.47Å; L191-W211 HydrophobicContact CD2-CB 4.19Å; L191-W211 HydrophobicContact CD2-CD2 3.82Å; L191-W211 HydrophobicContact CD2-CE3 3.9Å; L191-W211 HydrophobicContact CD2-CG 3.95Å; L191-W211 HydrophobicContact CG-CD2 4.31Å; L191-W211 HydrophobicContact CG-CE3 4.49Å; L191-W211 WeakPolarHBondContact O-CZ3 3.27Å; F197-W211 HydrophobicContact CB-CE3 4.08Å; F197-W211 HydrophobicContact CB-CZ3 4.36Å; V198-W211 WeakPolarHBondContact O-CA 3.4Å; K199-W211 HydrophobicContact CB-CD2 4.36Å; K199-W211 HydrophobicContact CB-CE3 4.01Å; K199-W211 HydrophobicContact CB-CH2 3.86Å; K199-W211 HydrophobicContact CB-CZ2 4.18Å; K199-W211 HydrophobicContact CB-CZ3 3.76Å; K199-W211 HydrophobicContact CD-CH2 4.43Å; K199-W211 HydrophobicContact CD-CZ2 4.15Å; K199-W211 HydrophobicContact CG-CD2 4.48Å; K199-W211 HydrophobicContact CG-CH2 4.29Å; K199-W211 HydrophobicContact CG-CZ2 4.11Å
212I95.1Very high77.5Confident47 Ų4778.8 Ų78.824%0.24148%0.475CS..EExtended strand (participates in β ladder)trans-117150.9174.968.5171.6000110.3R154 F197 V198 V200R154-I212 HydrophobicContact CB-CG2 3.63Å; F197-I212 WeakPolarHBondContact CA-O 3.5Å; V198-I212 HydrophobicContact CB-CD1 4.34Å; V198-I212 HydrophobicContact CB-CG1 3.82Å; V198-I212 PolarHBondContact N-O 2.9Å; V198-I212 PolarHBondContact O-N 3.09Å; V200-I212 HydrophobicContact CG2-CD1 3.78Å; V200-I212 HydrophobicContact CG2-CG1 3.95Å; V200-I212 HydrophobicContact CG2-CG2 4.16Å
213V95.2Very high75.7Confident21 Ų2182.3 Ų82.313%0.12751%0.506CS..EExtended strand (participates in β ladder)trans-78.9123.6161.7171.90000107T144 I147 R196 F197 P215T144-V213 HydrophobicContact CG2-CG1 4.49Å; T144-V213 HydrophobicContact CG2-CG2 4.1Å; I147-V213 HydrophobicContact CB-CG2 3.89Å; I147-V213 HydrophobicContact CD1-CG2 4.08Å; I147-V213 HydrophobicContact CG2-CB 4.37Å; I147-V213 HydrophobicContact CG2-CG2 3.88Å; R196-V213 HydrophobicContact CG-CG1 4Å; F197-V213 HydrophobicContact CD1-CG2 4.28Å; F197-V213 HydrophobicContact CE1-CG2 4.12Å; V213-P215 WeakPolarHBondContact O-CD 3.32Å
214N89.7Confident74Confident48 Ų4879.9 Ų79.926%0.25751%0.505SS..  trans-58.4115.5173.4-177.5-9.9000109.1R196 V198 E216 G217 G218R196-N214 VanDerWaalsContact O-CB 3.29Å; R196-N214 WeakPolarHBondContact O-CB 3.49Å; R196-N214 PolarHBondContact O-N 3.06Å; V198-N214 HydrophobicContact CG2-CB 4.14Å; N214-E216 PolarHBondContact O-N 2.83Å; N214-E216 WeakPolarHBondContact OD1-CB 3.41Å; N214-E216 PolarHBondContact OD1-N 3.44Å; N214-G217 PolarHBondContact O-N 2.9Å; N214-G218 PolarHBondContact O-N 2.84Å
215P82.6Confident73.1Confident88 Ų8889.9 Ų89.957%0.57153%0.534SS*.THydrogen-bonded Turntrans-59.6-37.6-174.522.9-33000111.9V213 G217 G218V213-P215 WeakPolarHBondContact O-CD 3.32Å; P215-G217 VanDerWaalsContact C-N 3.26Å; P215-G217 PolarHBondContact O-N 2.71Å; P215-G218 PolarHBondContact O-N 3.46Å
216E67.3Low72.4Confident142 Ų14293.3 Ų93.366%0.66453%0.529SS*.Hα-helixtrans-61.1-35176.3-54.1-56.2107.500112.1N214 G220N214-E216 PolarHBondContact O-N 2.83Å; N214-E216 WeakPolarHBondContact OD1-CB 3.41Å; N214-E216 PolarHBondContact OD1-N 3.44Å; E216-G220 PolarHBondContact O-N 3.08Å
217G60.5Low71.5Confident37 Ų37100.3 Ų100.338%0.38153%0.529SS..Hα-helixtrans-88.5-1.7-175.200000115.7R196 N214 P215R196-G217 PolarHBondContact NE-O 3.23Å; N214-G217 PolarHBondContact O-N 2.9Å; P215-G217 VanDerWaalsContact C-N 3.26Å; P215-G217 PolarHBondContact O-N 2.71Å
218G61.2Low70.3Confident43 Ų4399 Ų9944%0.44354%0.542SS..Hα-helixtrans-104.1-34.6176.400000114.1N214 P215N214-G218 PolarHBondContact O-N 2.84Å; P215-G218 PolarHBondContact O-N 3.46Å
219K56.8Low68.6Low166 Ų166102.1 Ų102.172%0.72256%0.559SS**Hα-helixtrans-133.6-20.7-163.7-52.2-176.9-174178.80113.1E148 G221E148-K219 VanDerWaalsContact OE1-CE 3.28Å; E148-K219 WeakPolarHBondContact OE1-CE 3.42Å; E148-K219 IonicContact OE1-NZ 2.77Å; E148-K219 PolarHBondContact OE1-NZ 3.09Å; K219-G221 PolarHBondContact O-N 3.3Å
220G49.5Very low66.7Low47 Ų47106.2 Ų106.249%0.48559%0.587SS.*  trans-78.299.2172.200000112.3E216 K222E216-G220 PolarHBondContact O-N 3.08Å; G220-K222 PolarHBondContact O-N 3.43Å
221G53.3Low64.8Low74 Ų74112.7 Ų112.776%0.76362%0.621SS**SBendtrans-62.8120.2175.600000112.3K219K219-G221 PolarHBondContact O-N 3.3Å
222K50.7Low62.5Low201 Ų201117.8 Ų117.887%0.87465%0.651SS**SBendtrans57.177.4177.2-55173.4-175.5172.60113.6G220 P224G220-K222 PolarHBondContact O-N 3.43Å; K222-P224 VanDerWaalsContact O-CD 3.28Å; K222-P224 WeakPolarHBondContact O-CD 3.49Å
223A50.5Low60.2Low90 Ų90122.1 Ų122.174%0.74468%0.675SS**  trans-42.4115.1166.400000110.7R225A223-R225 PolarHBondContact O-N 2.95Å
224P49.8Very low57.9Low120 Ų120126 Ų12678%0.77970%0.703SS**  trans-62.5115.8-170.8-27.436.1000111.2K222 R226K222-P224 VanDerWaalsContact O-CD 3.28Å; K222-P224 WeakPolarHBondContact O-CD 3.49Å; P224-R226 PolarHBondContact O-N 2.94Å
225R58.8Low56Low239 Ų239133 Ų13390%0.90273%0.731SS**  trans-58.3102.4171.6179.1-179.4-72.3166.9-3.4107.6A223 R227A223-R225 PolarHBondContact O-N 2.95Å; R225-R227 PolarHBondContact O-N 3.23Å
226R59Low54.4Low226 Ų226138.6 Ų138.685%0.85374%0.742SS**  trans-52.6112.2-174.4-63.817672.2-158.53.8109.1P224P224-R226 PolarHBondContact O-N 2.94Å
227R58.1Low53.6Low233 Ų233140.2 Ų140.288%0.87975%0.753SS**PPolyproline II helixtrans-64134.5154.7-67.2-171179.9103.6-3.1106R225 V229R225-R227 PolarHBondContact O-N 3.23Å; R227-V229 PolarHBondContact O-N 2.88Å
228A59.1Low52.9Low103 Ų103148.5 Ų148.585%0.85178%0.779SS**PPolyproline II helixtrans-59.1126.5175.200000108.5S230A228-S230 PolarHBondContact O-N 2.94Å
229V57.2Low52.4Low126 Ų126150.1 Ų150.176%0.76480%0.796SS**PPolyproline II helixtrans-74.3122.2169.8-73.60000107.6R227R227-V229 PolarHBondContact O-N 2.88Å
230S55.1Low51.9Low111 Ų111147.1 Ų147.178%0.77680%0.802SS**PPolyproline II helixtrans-66.6144165.6-168.30000108.5A228 D232A228-S230 PolarHBondContact O-N 2.94Å; S230-D232 PolarHBondContact O-N 3.12Å
231M53.9Low51.8Low167 Ų167157.2 Ų157.282%0.82383%0.826SS**  trans-83.998.4178.2-72.8178.861.400111N233M231-N233 PolarHBondContact O-N 3.27Å
232D49.5Very low51.2Low144 Ų144157.1 Ų157.177%0.7782%0.824SS**  trans-85.898163.166.8-65.9000110.7S230 S234S230-D232 PolarHBondContact O-N 3.12Å; D232-S234 PolarHBondContact O-N 3.13Å
233N45.8Very low50.7Low138 Ų138158.5 Ų158.574%0.73882%0.824SS**  trans-93.677.1176.7-163-16.1000110.9M231M231-N233 PolarHBondContact O-N 3.27Å
234S48.3Very low50.3Low103 Ų103159.5 Ų159.572%0.7283%0.832SS**  trans-115.165.8-171.4-1660000113.3D232D232-S234 PolarHBondContact O-N 3.13Å
235K48Very low50.1Low196 Ų196160.5 Ų160.585%0.85284%0.836SS**SBendtrans-135.115.7178.3-72.8-165.4178.7178.60118.1
236Y48.9Very low49.4Very low204 Ų204158.3 Ų158.380%0.883%0.833SS**  trans-157.7108153.863.2-77.8000114.2
237I50.6Low48.5Very low176 Ų176157.2 Ų157.290%0.90384%0.835SS**  trans-134.489.5151.3-62.9-68.3000107.1
238K46Very low47.6Very low211 Ų211155 Ų15592%0.91783%0.832SS**  trans-123.993.7174.8-170.8173.2-178.51770111
239G51.6Low46.4Very low77 Ų77154.3 Ų154.379%0.79483%0.825SS**  trans81.490.3154.100000117.5
240A45.9Very low45.3Very low104 Ų104153 Ų15386%0.8682%0.821SS**  trans-131.578.5158.800000110.4G242A240-G242 VanDerWaalsContact C-N 3.27Å; A240-G242 PolarHBondContact O-N 2.87Å
241R47Very low44.7Very low259 Ų259155.3 Ų155.398%0.97783%0.825SS**  trans-79.271.8179.2-168.5177.9-177175.71.2110.7
242G41.9Very low44.1Very low71 Ų71154.7 Ų154.773%0.73282%0.82SS**  trans-102.978.7-166.700000116.4A240A240-G242 VanDerWaalsContact C-N 3.27Å; A240-G242 PolarHBondContact O-N 2.87Å
243R40.3Very low43.3Very low231 Ų231151.2 Ų151.287%0.87281%0.811SS**  trans35100.7155.8-57.8-176.9-175.8-151.5-0.5118.3
244A41.3Very low42.8Very low110 Ų110149 Ų14991%0.90981%0.812SS**  trans-62.7138.3159.200000111.4
245T46Very low42.2Very low141 Ų141151.8 Ų151.887%0.86581%0.813SS**  trans-124.4156.4172.555.90000111.2
246K42.8Very low41.3Very low193 Ų193149.2 Ų149.284%0.83981%0.809SS**  trans-125.3115.4-153.7166.4-168.3169.1-175.60112.6
247K42.1Very low40.5Very low204 Ų204142.8 Ų142.889%0.88781%0.805SS**  trans-157.5122154.6-84.8-178.7179.4178.60104.4
248K38Very low39.8Very low187 Ų187140.4 Ų140.481%0.81380%0.804SS**  cis59.5132.529.6-167.2173.1-177.8-177.60114.3
249A35.2Very low39.2Very low87 Ų87134.4 Ų134.472%0.71979%0.789SS**  trans82.8135.8179.500000113.1
250S33.1Very low38.2Very low98 Ų98138.7 Ų138.769%0.68579%0.788SS**  cis-167.7135.21.126.20000114.1
251L41.9Very low37.7Very low161 Ų161139 Ų13984%0.84378%0.784SS**  trans66.3165.5150.8-53.2172.4000115.4
252Q42.3Very low37Very low153 Ų153131.3 Ų131.372%0.71577%0.77SS**  cis-140.7166.54.6-173.354.829.300110.5
253A33Very low36.7Very low72 Ų72132.4 Ų132.460%0.59577%0.766SS**  trans-13.2131.1166.300000118.2
254A33.8Very low36.4Very low91 Ų91126.9 Ų126.975%0.75276%0.763SS**  78.6154.493.500000113.6
255Q35.9Very low36.2Very low161 Ų161129.6 Ų129.675%0.75276%0.761SS**  cis-147176.210.3-143.4175.6-77.400109.1
256D30.4Very low35.7Very low142 Ų142127.4 Ų127.476%0.75975%0.752SS**  trans13.1136.7160.3-43.2-33.8000120.3
257G32.1Very low35.2Very low70 Ų70127.7 Ų127.772%0.72275%0.753SS**  cis160.6-172.35.900000111
258S34.9Very low34.8Very low125 Ų125129.7 Ų129.787%0.87476%0.755SS**  trans74.6154.8179.5-157.30000117.8
259S33.3Very low34.7Very low86 Ų86127.1 Ų127.160%0.60176%0.756SS**  trans-79.8170.5170.9530000111.4
260E31.6Very low34.4Very low167 Ų167126.9 Ų126.978%0.7876%0.762SS**  cis-151.1176.19.636.7-120.472.700113.5
261S35.2Very low34.6Very low110 Ų110127.8 Ų127.877%0.76977%0.768SS**  trans-23.8153.3157.3-62.50000118.1
262S32.8Very low34.8Very low98 Ų98125.7 Ų125.769%0.68576%0.764SS**  cis-171.7172.6-3.248.80000112.3
263S35.4Very low34.3Very low93 Ų93124.2 Ų124.265%0.6577%0.765SS**  trans59.4106.2148.858.40000119.1
264S34.2Very low34.5Very low116 Ų116126.3 Ų126.381%0.81178%0.776SS**  94.2146.390.473.40000113.8
265L36.2Very low34.5Very low166 Ų166133.3 Ų133.387%0.86978%0.783SS**  cis-162.1134.1-8.4162.665.5000108.5
266S35.4Very low34.4Very low96 Ų96130.4 Ų130.467%0.67178%0.78SS**  trans-73.8130.8173.1-51.60000110.9
267K33.3Very low34.4Very low198 Ų198129.1 Ų129.186%0.86178%0.783SS**  53.9104.768.9-161.4170-175.5175.90113.2
268W33.6Very low34.5Very low246 Ų246133.8 Ų133.893%0.93279%0.791SS**  trans-92.7145-178.9-83.260.3000113
269T35.6Very low34.6Very low134 Ų134136.7 Ų136.782%0.82279%0.791SS**  trans-156.7136.7165.550.90000111.2
270G28.6Very low34.8Very low82 Ų82140.8 Ų140.885%0.84581%0.805SS**  trans105.9120.4159.400000117.2
271S36.6Very low35.1Very low117 Ų117138.7 Ų138.782%0.81880%0.799SS**  trans-89.4178.3172.1-44.10000111.9
272P46.8Very low35.4Very low117 Ų117137.9 Ų137.976%0.7680%0.799SS**  -151141.5106.537.6-20.4000118.3
273T30.6Very low35.7Very low121 Ų121145.2 Ų145.274%0.74281%0.812SS**  trans39.5112.4141.463.50000123.4
274S37.9Very low36.1Very low117 Ų117145.2 Ų145.282%0.81881%0.808SS**  61.2128.2117.7-46.60000123
275R34.3Very low36.2Very low238 Ų238146.5 Ų146.590%0.89881%0.806SS**  trans-156.6134.8134.9-108.5-178.883147.44.7112.9
276S32.6Very low36Very low100 Ų100148.7 Ų148.770%0.69981%0.809SS**  trans33.6117.1156.253.20000120.9
277S31.6Very low36.4Very low115 Ų115154.7 Ų154.780%0.80482%0.817SS**  trans-41.4130.7156169.90000114.5
278D35.1Very low36.5Very low167 Ų167150.5 Ų150.589%0.89381%0.812SS**  trans-163104.7135.1-123.3-50.1000108.3
279E35.6Very low36.6Very low187 Ų187150 Ų15087%0.87481%0.81SS**  trans-134.581.5-170.6-172.4-175.1157.600111.2
280L37.1Very low36.5Very low172 Ų172149.5 Ų149.590%0.90181%0.807SS**SBendtrans-154.53.8163-150.748.6000118.1
281D39.5Very low36.7Very low123 Ų123152.8 Ų152.866%0.65881%0.805SS**  trans-118.230-175.5-131.8-33.8000114.6W283 T284D281-W283 VanDerWaalsContact C-N 3.32Å; D281-W283 PolarHBondContact O-N 2.92Å; D281-T284 WeakPolarHBondContact OD1-CB 3.49Å; D281-T284 WeakPolarHBondContact OD1-CG2 3.2Å; D281-T284 PolarHBondContact OD1-OG1 2.73Å
282A40Very low36.6Very low93 Ų93152.2 Ų152.277%0.76980%0.801SS**THydrogen-bonded Turntrans-85.24.7-179.400000114.8
283W39.3Very low36.3Very low252 Ų252154.6 Ų154.696%0.95581%0.808SS**THydrogen-bonded Turntrans-122.35.6-173.2-82.877000114.8D281D281-W283 VanDerWaalsContact C-N 3.32Å; D281-W283 PolarHBondContact O-N 2.92Å
284T43.4Very low36.5Very low92 Ų92153.7 Ų153.756%0.56481%0.812SS**  trans-100.4-21.1-179.552.10000113.8D281 F286D281-T284 WeakPolarHBondContact OD1-CB 3.49Å; D281-T284 WeakPolarHBondContact OD1-CG2 3.2Å; D281-T284 PolarHBondContact OD1-OG1 2.73Å; T284-F286 PolarHBondContact O-N 3.22Å
285D36.9Very low36.4Very low143 Ų143153.7 Ų153.777%0.76581%0.812SS**THydrogen-bonded Turntrans-78.750-172.9-165.436000115.4
286F33Very low36.3Very low213 Ų213148.7 Ų148.793%0.93481%0.808SS**THydrogen-bonded Turntrans-129.27.9160.2-89.9-68.9000113.7T284T284-F286 PolarHBondContact O-N 3.22Å
287R43Very low36.5Very low222 Ų222151.6 Ų151.684%0.83882%0.815SS**SBendtrans-13883.6175-67.5-168.7-177.6-830.2114.6
288S34.9Very low36.7Very low109 Ų109152 Ų15276%0.76282%0.818SS**  120.194.1127.9-49.30000118.2
289R37.2Very low36.6Very low236 Ų236147.1 Ų147.189%0.89181%0.807SS**  trans-169.1146.1138.3-102.4157.2-172.6-145.51.4107.4
290T32.6Very low36.6Very low123 Ų123149.6 Ų149.676%0.75581%0.808SS**SBendcis-117.7171.36.464.30000109.6
291N33.4Very low36.5Very low152 Ų152149.3 Ų149.381%0.81381%0.807SS**  cis-119.9151.419.8-72.4-10.6000113.6
292S34.4Very low36.6Very low105 Ų105148.5 Ų148.573%0.73481%0.811SS**  trans-124130.1156.7-530000108.1
293N40.6Very low36.7Very low167 Ų167150.4 Ų150.489%0.89382%0.815SS**  trans-161.6130.1146.9-113.8-17.5000111.3
294A34.7Very low36.3Very low102 Ų102146.1 Ų146.184%0.84381%0.809SS**  trans49108.9166.500000119.4
295S35.2Very low36.1Very low116 Ų116149.8 Ų149.881%0.81182%0.824SS**  trans-84.1152.6163.3-41.40000111.9
296T33Very low35.9Very low133 Ų133147.5 Ų147.582%0.81683%0.825SS**  trans-158.6116137.929.80000112.8
297L35.4Very low36Very low162 Ų162144.8 Ų144.885%0.84882%0.821SS**  trans30129.4130.6-56.8172.7000121
298S36.5Very low35.9Very low124 Ų124141 Ų14187%0.86782%0.816SS**  trans71.2117.1142.1-159.10000120.7
299G32.4Very low36Very low64 Ų64143.2 Ų143.266%0.6682%0.815SS**  86.492.3112.900000120.1
300R36.4Very low36.2Very low239 Ų239139.3 Ų139.390%0.90281%0.811SS**  trans80.2157.5151.9-59.5-179.3145.4-147.8-5.9119.5
301L34.4Very low36.5Very low166 Ų166139.9 Ų139.987%0.86981%0.809SS**  trans81.1131.2166.7-52.4-173.8000117.6
302S41.2Very low36.6Very low105 Ų105140.4 Ų140.473%0.73481%0.807SS**PPolyproline II helixtrans-85.4154.2177.5-490000111.2I304S302-I304 PolarHBondContact O-N 2.87Å
303P41.8Very low36.9Very low133 Ų133141.3 Ų141.386%0.86481%0.807SS**PPolyproline II helixtrans-65.8127.7168.1-1630.5000110.7
304I32.3Very low37.5Very low162 Ų162138.5 Ų138.583%0.83180%0.799SS**PPolyproline II helixtrans-90.8137173.4-67.9175000109.2S302S302-I304 PolarHBondContact O-N 2.87Å
305L38.2Very low37.6Very low169 Ų169141 Ų14189%0.88580%0.798SS**PPolyproline II helixtrans-75.4128.4168.7-101.4163.8000109.7
306A32.2Very low37.6Very low95 Ų95142.2 Ų142.279%0.78580%0.795SS**PPolyproline II helixtrans-82.1132.7176.500000111.3
307N36.8Very low37.8Very low156 Ų156142.5 Ų142.583%0.83479%0.791SS**  trans-155.2112.4162.2-151.938.1000112.6
308L40.3Very low38Very low142 Ų142139.5 Ų139.574%0.74378%0.784SS**  trans36.9146.7146.7-140.961.9000124.4
309E37.3Very low39Very low157 Ų157138.9 Ų138.973%0.73478%0.777SS**  trans66.8128170.7-77.2156.411700116.6
310L41.4Very low38.9Very low154 Ų154143.4 Ų143.481%0.80679%0.785SS**  62.2133.174.1-92.270.3000112.3
311D37.7Very low39Very low134 Ų134137.6 Ų137.672%0.71778%0.782SS**  cis-154.2-171.824.3-154.813.3000114.7
312E37.3Very low39.6Very low164 Ų164135.9 Ų135.977%0.76678%0.78SS**  trans-27.4130.2175.8-71.3-161.4109.400120
313V40Very low39.5Very low123 Ų123139.2 Ų139.275%0.74579%0.786SS**  114.9153.989.6158.50000111.7
314P52.4Low39Very low109 Ų109140.7 Ų140.771%0.70879%0.786SS**  trans-113.9-154-154.744.5-34000116.6
315D37.2Very low38.9Very low154 Ų154142.5 Ų142.582%0.82478%0.784SS**  trans85.5146.3-173.6-71.1-148.8000115.4
316D35.5Very low38.5Very low142 Ų142138.5 Ų138.576%0.75977%0.77SS**  cis-160.3178.3-28.2-168.7-158.1000108.7
317D36.8Very low38.7Very low138 Ų138139.3 Ų139.374%0.73877%0.77SS**  trans79.5159.5153.3-124.8-20.9000120.5
318S40.2Very low39.4Very low99 Ų99137.4 Ų137.469%0.69277%0.766SS**  trans-156.9169.5179.8-71.70000108.1
319P56.5Low39Very low111 Ų111136.5 Ų136.572%0.72177%0.771SS**  cis-126.9-139.3-7.440.2-22.3000111
320L32.1Very low38.8Very low159 Ų159134.1 Ų134.183%0.83277%0.772SS**  trans95.8120.3164.8-53.3177000118
321S38.3Very low38.5Very low118 Ų118134 Ų13483%0.82577%0.769SS**  trans-91.2150.4152.4-53.40000110.3
322P47.3Very low38.3Very low129 Ų129132.2 Ų132.284%0.83877%0.767SS**  -140.7175.8111.436.3-22.6000114.5
323M37.1Very low38.8Very low175 Ų175130.8 Ų130.886%0.86277%0.772SS**  trans-78.3170.4-179.1-63.91675500114.3
324L32.1Very low38.5Very low165 Ų165129.8 Ų129.886%0.86477%0.771SS**  trans142.7149.2152.3-78.2163.1000108.7
325Y31Very low37.8Very low200 Ų200131.4 Ų131.478%0.78478%0.779SS**  cis-173.7148.2-6.4165.8-77.3000107.3
326S29.6Very low37.6Very low84 Ų84127.3 Ų127.359%0.58777%0.773SS**  cis-169.6163.8-18.6-810000109.3
327S36.8Very low39Very low112 Ų112126.3 Ų126.378%0.78377%0.774SS**  trans-68.4165.5166.2-41.60000112
328P50.8Low39Very low117 Ų117127.1 Ų127.176%0.7679%0.785SS**  -159.8162.889.841.1-22.1000118.5
329S31.4Very low38.6Very low122 Ų122126 Ų12685%0.85379%0.788SS**  trans156.7140.7143.9-74.60000110.1
330S33.6Very low37.6Very low108 Ų108129 Ų12976%0.75580%0.797SS**  cis-142.6164.10.7-165.70000112.7
331M33.9Very low38.8Very low150 Ų150127.1 Ų127.174%0.73979%0.794SS**  trans-39.7148.1178.1-59.6-62.791.900116.3
332S34.8Very low38.4Very low97 Ų97129 Ų12968%0.67880%0.795SS**  cis74143.848.5-50.50000113.6
333P47.3Very low38.3Very low134 Ų134130.5 Ų130.587%0.8780%0.796SS**  -137.1163.389.839.5-28.6000115.4
334S32.9Very low38.2Very low103 Ų103127 Ų12772%0.7280%0.795SS**  trans-160.9158.7170.2-176.90000109.7
335T37.9Very low38.4Very low143 Ų143122.6 Ų122.688%0.87779%0.788SS**  trans66.2163.2-17976.90000114.8
336G33.9Very low38.6Very low67 Ų67118.7 Ų118.769%0.69179%0.786SS**  cis-161.4-166.912.100000115.1
337P64.3Low38.9Very low122 Ų122122.9 Ų122.979%0.79280%0.798SS**  trans-119.4172.2-150.142.6-34.5000116.5
338T37.1Very low38.9Very low155 Ų155124.2 Ų124.295%0.95180%0.796SS**  trans-174.6154.7148.19.90000112.3
339G32.8Very low38.6Very low74 Ų74125.5 Ų125.576%0.76380%0.796SS**  trans116.7122.2157.100000118.5
340L35.6Very low38.7Very low174 Ų174125.8 Ų125.891%0.91179%0.788SS**  trans-118.1172.3153.6-60.2174.1000106.6
341P56Low38.7Very low120 Ų120127.6 Ų127.678%0.77979%0.79SS**  cis-133.6-160.4-1.436.1-14.2000113.5
342D30.7Very low38.7Very low158 Ų158123.6 Ų123.685%0.84579%0.786SS**  trans113.6165.1136.7-144.313.8000120
343L45.4Very low39Very low161 Ų161127.1 Ų127.184%0.84380%0.797SS**  trans-112101.2-150.2175.572.8000113.8
344A34.4Very low38.9Very low102 Ų102124.3 Ų124.384%0.84378%0.78SS**  trans-166.2154.8153.700000110.9
345G36.3Very low39.2Very low71 Ų71126.7 Ų126.773%0.73279%0.785SS**  cis134.822.5-5.200000118.1
346T35.5Very low39.8Very low119 Ų119126.3 Ų126.373%0.7378%0.778SS**  trans-152.8122.4169.839.60000115.6
347M35Very low40.6Very low172 Ų172131 Ų13185%0.84779%0.786SS**  34.2102.8126.8-49.2-171.7-5700120.1
348N38.2Very low39.8Very low139 Ų139133 Ų13374%0.74379%0.786SS**  12.6121.2122.1-17430.4000118.9
349L43.3Very low40.2Very low145 Ų145130.6 Ų130.676%0.75977%0.768SS**  177.8132.5111.9-95.5172000115.3
350N33.3Very low40.7Very low128 Ų128134.6 Ų134.668%0.68477%0.772SS**  trans70.2160.9143.3-146.252.3000122.7
351D34.2Very low41.4Very low146 Ų146134 Ų13478%0.78177%0.769SS**  trans69.8129.4169.7-61.4-59.7000119.1
352G33.1Very low41.2Very low65 Ų65135.3 Ų135.367%0.6777%0.768SS**  cis162.145.5-3.700000117.9
353L41.5Very low42Very low171 Ų171134.3 Ų134.390%0.89576%0.763SS**  trans-149142174.1-65.9173.7000111.2
354S44.8Very low41.9Very low75 Ų75134.2 Ų134.252%0.52476%0.763SS.*  cis-171.5100.5-17.553.50000110.6N356S354-N356 PolarHBondContact O-N 3.43Å
355D40.7Very low42.6Very low154 Ų154136.3 Ų136.382%0.82476%0.759SS**  trans-78.430-172.7-66.6-66.1000116L357D355-L357 PolarHBondContact O-N 2.87Å
356N50.1Low42.5Very low135 Ų135137.7 Ų137.772%0.72276%0.757SS**THydrogen-bonded Turntrans-75.539.1-170.5-70.2-61.4000115.6S354S354-N356 PolarHBondContact O-N 3.43Å
357L49.5Very low42.6Very low166 Ų166139.9 Ų139.987%0.86976%0.764SS**THydrogen-bonded Turntrans-119.5-6.2178.7-146.478.1000115D355D355-L357 PolarHBondContact O-N 2.87Å
358M47.5Very low42.4Very low162 Ų162138.7 Ų138.780%0.79877%0.766SS**SBendtrans-106.7-33-176.8-69.4-67.1-70.600114.2N360M358-N360 PolarHBondContact O-N 3.27Å
359D46.4Very low42Very low106 Ų106136.1 Ų136.157%0.56776%0.764SS**G310 helixtrans-76.3-23.8-171.2-58-54.4000114.2L361 L362D359-L361 PolarHBondContact O-N 3.47Å; D359-L362 PolarHBondContact O-N 3.35Å
360N43.6Very low41.5Very low157 Ų157135.6 Ų135.684%0.8477%0.767SS**G310 helixtrans-70.28.5-172.9-125.7-110.7000115.5M358M358-N360 PolarHBondContact O-N 3.27Å
361L49.8Very low41.5Very low162 Ų162137.4 Ų137.485%0.84877%0.772SS**G310 helixtrans-115.6-4.6178.4-15962.3000113.9D359D359-L361 PolarHBondContact O-N 3.47Å
362L52.5Low41.6Very low147 Ų147138 Ų13877%0.7777%0.77SS**THydrogen-bonded Turntrans-109.3-29-178.8-120.967.5000114.6D359 N364D359-L362 PolarHBondContact O-N 3.35Å; L362-N364 PolarHBondContact O-N 2.82Å
363D45.9Very low42.1Very low137 Ų137140.5 Ų140.573%0.73377%0.774SS**THydrogen-bonded Turntrans-65.6-3-171.9-84.3-14.2000116.7
364N43.5Very low42.9Very low159 Ų159137.4 Ų137.485%0.8576%0.764SS**THydrogen-bonded Turntrans-99.85.8-171.5-137.8-15.8000114.5L362L362-N364 PolarHBondContact O-N 2.82Å
365I49.4Very low43.1Very low147 Ų147139.8 Ų139.875%0.75478%0.778SS**SBendtrans-140.6100.6178.1-49.8179.8000110.9
366S35.6Very low42.6Very low99 Ų99135.7 Ų135.769%0.69277%0.772SS**  trans78140.6-174.4-30.30000112.9
367L37.6Very low41.8Very low165 Ų165138.7 Ų138.786%0.86478%0.782SS**  cis-136.7155.417-72161.4000112.5
368T29.4Very low41.1Very low147 Ų147139.8 Ų139.890%0.90278%0.783SS**  trans-127.394.4167.654.60000111.7
369A30Very low40.8Very low85 Ų85138.5 Ų138.570%0.70278%0.779SS**  trans-160.4105170.700000113.9
370T34.1Very low41.3Very low135 Ų135138.8 Ų138.883%0.82879%0.787SS**  trans46.1136.1141.361.40000120.5
371Q32.8Very low40.7Very low166 Ų166135 Ų13578%0.77678%0.784SS**  -179.4127.954.6173.8163.186.700114.6
372Q35.5Very low40Very low159 Ų159131.5 Ų131.574%0.74378%0.779SS**  trans57.9175.4147.6-93.3174.1-49.500121
373P43.8Very low39.3Very low117 Ų117132.3 Ų132.376%0.7678%0.782SS**  cis-127.2-144.221.343.7-21.2000115.6
374P57.6Low38.7Very low106 Ų106130 Ų13069%0.68878%0.776SS**  -124.8-157.6-119.942.3-19.6000112.1
375P50.2Low38.3Very low124 Ų124131.9 Ų131.981%0.80578%0.78SS**  cis-134.2-173.9-4.943.9-27.1000115.7
376G29.3Very low37.5Very low68 Ų68128.6 Ų128.670%0.70178%0.783SS**  trans85.6171.8153.800000117.6
377E34.8Very low37.2Very low199 Ų199127.7 Ų127.793%0.9379%0.789SS**  cis-150.6162.7-19.5-59.6-162.711000106.6
378E33.9Very low36.9Very low189 Ų189124.6 Ų124.688%0.88378%0.781SS**  cis-128.8-93.51.246175.8137.400112.9
379D40.7Very low37Very low135 Ų135124 Ų12472%0.72278%0.777SS**  trans-158.6178.1-161.3-159.636.1000110.9
380P57.1Low37Very low112 Ų112128.8 Ų128.873%0.72778%0.782SS**  cis-116.7171.8-3415.86.6000113.4
381G31.3Very low36.7Very low76 Ų76127.6 Ų127.678%0.78478%0.775SS**  trans-157.7-20.1179.100000121.6
382A35.6Very low36.5Very low90 Ų90128.6 Ų128.674%0.74478%0.777SS**  trans64.6127.3167.100000121.9
383I37.3Very low36.2Very low164 Ų164125.9 Ų125.984%0.84178%0.776SS**  trans72.6140145.6-61.6163.4000119.2
384S33.8Very low35.6Very low87 Ų87125 Ų12561%0.60877%0.771SS**  cis-170137.1-37.766.40000110.4
385Q35.2Very low34.4Very low199 Ų199127.2 Ų127.293%0.9378%0.783SS**  trans61.4146.8167-49.4-176.416.400116.8
386G31.1Very low33.4Very low79 Ų79124.9 Ų124.981%0.81478%0.782SS**  cis164.2161-8.300000111.5
387G31Very low33.7Very low79 Ų79127.5 Ų127.581%0.81479%0.789SS**  trans98.9105158.500000119.3
388S30.2Very low34.5Very low100 Ų100123.5 Ų123.570%0.69978%0.781SS**  trans51.8122.8146.2-147.50000122.3
389V32.3Very low34.5Very low134 Ų134120.6 Ų120.681%0.81278%0.781SS**  trans-59.2155.7149.1-76.50000112.1
390F29.3Very low34Very low186 Ų186117.9 Ų117.982%0.81679%0.785SS**  trans-142.1146.3154.6-99.7-75.9000112.9
391T28.6Very low32.7Very low111 Ų111115.5 Ų115.568%0.68178%0.781SS**  trans-41.3152.8166.953.30000116.2
392F28.6Very low32.8Very low187 Ų187123.3 Ų123.382%0.8279%0.788SS**  trans-85.9120.3161.9-176.6-99.8000111.6C394F392-C394 HydrophobicContact CZ-CB 4.12Å; F392-C394 WeakPolarHBondContact CZ-SG 3.22Å
393S29.1Very low32.7Very low102 Ų102122.5 Ų122.571%0.71379%0.788SS**  trans-136.4140.6166.3-69.40000108
394C29.7Very low32.6Very low97 Ų97120.7 Ų120.766%0.65579%0.79SS**  trans-149.4140.1169.463.90000112.8F392F392-C394 HydrophobicContact CZ-CB 4.12Å; F392-C394 WeakPolarHBondContact CZ-SG 3.22Å
395T32.7Very low32.9Very low153 Ų153124.1 Ų124.194%0.93980%0.802SS**  trans-142148.7174480000108.4
396G29.5Very low33.5Very low76 Ų76120.5 Ų120.578%0.78480%0.796SS**  trans156.6136.2175.400000114.7
397S35.4Very low33.7Very low122 Ų122124.1 Ų124.185%0.85380%0.795SS**  trans-106.7-160.9177.8-32.50000109.2
398P51.4Low33.9Very low116 Ų116130.3 Ų130.375%0.75380%0.8SS**  cis-140.4-167.413.444.2-23.6000116.8
399S34.1Very low34.2Very low127 Ų127130.5 Ų130.589%0.88880%0.802SS**  trans73.4145.117477.40000117.1
400G30Very low34.5Very low79 Ų79130.1 Ų130.181%0.81480%0.802SS**  cis161.9111.2-1300000113.6
401G29.8Very low34.6Very low61 Ų61127.8 Ų127.863%0.62980%0.803SS**  trans168.4115.2173.500000117.3
402Y34.8Very low34.8Very low241 Ų241128 Ų12895%0.94581%0.809SS**  trans40.9107.9144.1-35.5-73.9000121.9
403G33.4Very low35.5Very low72 Ų72126.8 Ų126.874%0.74281%0.809SS**  112.9138.7119.800000120.4
404S35.2Very low35.8Very low127 Ų127128.6 Ų128.689%0.88882%0.816SS**  trans86.3135163.1-45.10000118.6
405N40Very low36Very low159 Ų159129.1 Ų129.185%0.8582%0.821SS**  trans-81.6162.8177.2-50.3-57.3000111.1
406P47.9Very low36.3Very low123 Ų123129.9 Ų129.980%0.79982%0.819SS**  -146.41659038.5-22.1000117.7
407L34.7Very low36.6Very low154 Ų154137.6 Ų137.681%0.80682%0.824SS**  trans-15.5127.9169.7-77.354.3000121.2
408F34.8Very low36.8Very low209 Ų209140.2 Ų140.292%0.91782%0.823SS**  trans58.2126.1135.1-96.5-91.8000123.1
409S36Very low35.9Very low104 Ų104139.9 Ų139.973%0.72782%0.823SS**  trans-77161.6178-52.80000114.8
410P39.5Very low36.3Very low127 Ų127139.5 Ų139.583%0.82582%0.818SS**  trans-73.8153.1177.731-37.3000114.1
411T31.9Very low36.6Very low137 Ų137144.4 Ų144.484%0.8482%0.822SS**  trans-87.1110.8-179.9-160000112.4
412S32.7Very low37.4Very low115 Ų115150 Ų15080%0.80483%0.832SS**PPolyproline II helixtrans-84.2127.4161.1-63.30000109.6
413I42.7Very low37.6Very low161 Ų161145.1 Ų145.183%0.82683%0.827SS**PPolyproline II helixtrans-99.3135.917556.6173.3000111.2
414T35.3Very low37.8Very low140 Ų140149.5 Ų149.586%0.85983%0.832SS**PPolyproline II helixtrans-101.3162.1-178.1530000112.2
415S35.3Very low37.7Very low108 Ų108151.6 Ų151.676%0.75583%0.828SS**PPolyproline II helixtrans-74.3173.4-172.9-52.90000115
416L38.4Very low37.4Very low170 Ų170152.5 Ų152.589%0.8983%0.827SS**  trans79.598.9159.9-57.3170.4000118.7
417R35.5Very low36.5Very low237 Ų237152 Ų15289%0.89482%0.817SS**  -158.5117.2121.8-113.1-68.2163.1-155.6-4112.3
418Q39.5Very low36.5Very low178 Ų178152.6 Ų152.683%0.83281%0.813SS**  trans-94.5149.5156.7-75177.9-19.200109.5
419S33.5Very low36.3Very low108 Ų108150.7 Ų150.776%0.75581%0.807SS**  trans-133.3128.3176.553.30000109.9
420P42.5Very low36.1Very low120 Ų120151.6 Ų151.678%0.77981%0.809SS**PPolyproline II helixtrans-77.6156.7-179.632.8-35.5000112.1
421M34.6Very low35.6Very low182 Ų182150.9 Ų150.990%0.89780%0.802SS**PPolyproline II helixtrans-80.2148.7170.4-134.8-165.381.700110.7
422Q46.8Very low35.5Very low179 Ų179153.6 Ų153.684%0.83680%0.803SS**PPolyproline II helixtrans-86.2151.7179-69.5178.1-23.800112.1
423T39.2Very low35.2Very low138 Ų138154.3 Ų154.385%0.84780%0.802SS**  trans-109.8153.7168.1-175.60000110.1
424I38.1Very low34.8Very low164 Ų164152.2 Ų152.284%0.84180%0.802SS**  trans-83151.3-176.8-70172.9000110.3
425Q33.3Very low34.5Very low171 Ų171153.8 Ų153.880%0.79980%0.803SS**  trans-132.8114.6-165-175.8-174.716.300114.2
426E32.4Very low34.3Very low178 Ų178153.1 Ų153.183%0.83280%0.798SS**  trans-139.9127.7152.559.3-162.7134.200107.8
427N29.8Very low33.9Very low113 Ų113152.7 Ų152.760%0.60479%0.792SS**  cis7610029.3-151.211.6000109.5
428K33.9Very low33.8Very low165 Ų165149.3 Ų149.372%0.71778%0.784SS**  cis-146.2173.525.6-59155.6-158.3-56.20108.5
429Q31.7Very low33.4Very low169 Ų169145.3 Ų145.379%0.7978%0.775SS**  -179.1156.150.6-142.2174.2-0.800111.4
430T30.6Very low33.3Very low124 Ų124145.3 Ų145.376%0.76177%0.767SS**  trans60158.7159.447.40000122.2
431T30.7Very low32.8Very low112 Ų112147.3 Ų147.369%0.68777%0.765SS**  cis171.598.6-48.3-84.10000109.6
432F29.1Very low32.8Very low194 Ų194146.4 Ų146.485%0.85176%0.759SS**  trans53.8171.3167.3-58.9-98.2000117.1
433T27Very low32.2Very low130 Ų130144.5 Ų144.580%0.79875%0.754SS**  cis-151.41609.9-34.90000110.2
434S34.7Very low32.1Very low116 Ų116144.4 Ų144.481%0.81175%0.748SS**  trans-98.9136167.6-50.20000112
435I28.8Very low31.9Very low173 Ų173144 Ų14489%0.88775%0.747SS**  trans-156.5170.9160.7-133.3166.5000114.4
436S29.2Very low31.8Very low94 Ų94140.9 Ų140.966%0.65774%0.744SS**  trans-102.8164.2-148.3-46.80000118.1
437H31.4Very low32.1Very low162 Ų162140.1 Ų140.175%0.7575%0.745SS**  trans89.9121.6133.5-91-141.5000124.2
438F33.9Very low32Very low166 Ų166141.8 Ų141.873%0.72875%0.754SS**  79.7133127.9-91.5-117.5000124.5
439S29.8Very low32.1Very low93 Ų93138.3 Ų138.365%0.6575%0.75SS**  trans70.3153.7139.9-83.60000120.3
440D31.8Very low33.5Very low109 Ų109135.7 Ų135.758%0.58375%0.748SS**  cis-159.6178.22-135.7-65.1000114.2
441H32.8Very low33.4Very low161 Ų161135.5 Ų135.575%0.74575%0.752SS**  trans66.4135.4162.9-45.9-29.6000118.2
442Q34.3Very low33.6Very low164 Ų164138.3 Ų138.377%0.76676%0.757SS**  cis86.7113.319-62.4-70.5-1.500118.3
443D32.9Very low33.5Very low138 Ų138135.8 Ų135.874%0.73875%0.752SS**  trans179.3117.9130.5-96.7-12.3000110.2
444L37.7Very low33.8Very low136 Ų136135.7 Ų135.771%0.71275%0.747SS**  74.4139.595.2-68.4-178000115.7
445L34.6Very low34.1Very low155 Ų155137.3 Ų137.381%0.81275%0.751SS**  cis-112.1-162.47.4-62.3163.9000110.3
446S30.2Very low34.8Very low107 Ų107135.4 Ų135.475%0.74874%0.742SS**  cis-156.6-177.76.7-158.90000111.3
447L39.4Very low35.4Very low161 Ų161137.6 Ų137.684%0.84375%0.746SS**  trans-135174.3-165.3-106.677.3000116.5
448D27.4Very low35.7Very low148 Ų148135.5 Ų135.579%0.79175%0.745SS**  trans87.6138.8153.2-134.442.2000118.5
449S36.9Very low35.5Very low92 Ų92136.1 Ų136.164%0.64375%0.75SS**  cis-156.8173.9-6.4-131.60000111.8
450P61.1Low35.6Very low115 Ų115136.8 Ų136.875%0.74776%0.755SS**  trans-114.1174.6-162.842.7-36.8000117.7
451S27.8Very low35.8Very low120 Ų120137.6 Ų137.684%0.83976%0.759SS**  trans-177.7172.8140.545.40000114.2
452H34Very low36.6Very low171 Ų171135.8 Ų135.879%0.79276%0.761SS**  trans-94.4155.4-166.7-46.6-106.6000115
453N28.4Very low36.5Very low141 Ų141134.2 Ų134.275%0.75476%0.757SS**  165.5154.3107-90.8-62.7000116
454N31.8Very low36.6Very low128 Ų128135 Ų13568%0.68476%0.758SS**  trans51.5118.7152.5-66.1-36.1000121.8
455V41.1Very low36.3Very low149 Ų149133.5 Ų133.590%0.90376%0.76SS**  trans-115.3137.5143.5177.10000107.2
456L44.3Very low36Very low133 Ų133135 Ų13570%0.69676%0.762SS**  trans-142.4150.9-172.2-96.4174.3000112.7
457L41.8Very low35.9Very low140 Ų140134 Ų13473%0.73376%0.761SS**  trans68.1119-175.9-72.567000113
458T37.4Very low35.6Very low119 Ų119131.3 Ų131.373%0.7376%0.755SS**  64.914054.378.40000112.4
459Q29.6Very low35.8Very low179 Ų179130.6 Ų130.684%0.83676%0.756SS**  cis-146172.923.3-59.9170.63.100108.9
460S32.6Very low35.5Very low107 Ų107130.1 Ų130.175%0.74876%0.758SS**  cis-166.7160.2-21.947.90000108.6
461D35.7Very low34.4Very low126 Ų126132.7 Ų132.767%0.67476%0.764SS**  trans-65.3162.5178.1-16542.7000113.5L463D461-L463 VanDerWaalsContact CG-N 3.33Å; D461-L463 PolarHBondContact OD1-N 3.41Å; D461-L463 PolarHBondContact OD2-N 3.46Å
462P49.9Very low34.6Very low123 Ų123131 Ų13180%0.79976%0.757SS**  -144.2137.395.137.7-22000117.3
463L31.3Very low34.4Very low130 Ų130129.7 Ų129.768%0.68176%0.755SS**  trans-61.6151.1161.6-145.980.5000114D461D461-L463 VanDerWaalsContact CG-N 3.33Å; D461-L463 PolarHBondContact OD1-N 3.41Å; D461-L463 PolarHBondContact OD2-N 3.46Å
464M35.5Very low34.8Very low154 Ų154131 Ų13176%0.75976%0.757SS**  trans83.2122.8135.8-156.8153.161.300123.2
465S31.3Very low34.8Very low106 Ų106131.4 Ų131.474%0.74176%0.759SS**  trans86.2151.4138.1-83.60000124.9
466Q29.5Very low34.3Very low185 Ų185127.7 Ų127.786%0.86474%0.739SS**  trans68.2100.6163.5-73.1-168.592.600121.1
467A28.3Very low33.8Very low87 Ų87132.2 Ų132.272%0.71975%0.747SS**  46.8146.1106.200000122.7
468S31.6Very low33.6Very low104 Ų104135.3 Ų135.373%0.72775%0.749SS**  trans93.499.9151.3-57.30000120.7
469T32.5Very low33.3Very low133 Ų133137.6 Ų137.682%0.81676%0.757SS**  59.6123.1128.159.90000123.2
470A30.8Very low33.4Very low82 Ų82133.3 Ų133.368%0.67875%0.752SS**  89.6112.9129.300000122.7
471I36.5Very low33.6Very low169 Ų169136.1 Ų136.187%0.86776%0.756SS**  52.4115.5125.2-54.3165.8000119.5
472A32.1Very low33.5Very low84 Ų84137.3 Ų137.369%0.69476%0.761SS**  -172.5140.7126.600000114.4
473L31.2Very low32.7Very low145 Ų145137.2 Ų137.276%0.75975%0.753SS**  trans47.8126.3144.4-87.669.6000121.4
474Q37.1Very low32.7Very low167 Ų167141 Ų14178%0.7876%0.758SS**  71.3143.981.5-79-163.217.200116.2
475N31.4Very low32.3Very low138 Ų138142 Ų14274%0.73876%0.759SS**  cis-167.9158.5-12.5-163.3-2.7000111.6
476S31.1Very low32.3Very low70 Ų70143.7 Ų143.749%0.4976%0.759SS.*  trans47.7123.4148.4-170.80000123.4
477R32.6Very low33.5Very low229 Ų229140.4 Ų140.486%0.86475%0.754SS**  -136.9108.6125.2-64.9-165179.4-156.1-0.5108.4
478R37.1Very low33.6Very low204 Ų204144.7 Ų144.777%0.7776%0.761SS**  73.8125.682.8-74.3-171.1-169.493-1.6114.2
479N30.7Very low33.6Very low167 Ų167148.5 Ų148.589%0.89377%0.77SS**  trans-152.6129174.9-149.5-2000111.1
480A33.4Very low33.5Very low89 Ų89145.9 Ų145.974%0.73676%0.762SS**  trans-176.2153.4177.300000108.3
481M35.1Very low33.4Very low166 Ų166149.2 Ų149.282%0.81877%0.768SS**  cis-158.4-169.92.7-148.7-156.4-81.800110.2
482L34.8Very low33Very low151 Ų151147.7 Ų147.779%0.79176%0.761SS**  trans87.7148.7167-51.6172.1000117.9
483L33.5Very low32.9Very low122 Ų122149.6 Ų149.664%0.63977%0.769SS**  cis-171159.2-32-171.658.6000109.8
484R30.3Very low32.8Very low208 Ų208146.2 Ų146.279%0.78577%0.769SS**  trans89.2149.1165.7-50.5-66.9-171.5-158.22.1116.7
485K28.1Very low32.5Very low177 Ų177145.7 Ų145.777%0.7778%0.777SS**  cis-174.5135.3-22.1172.8166.6179.5179.90111.2
486D31.4Very low32.4Very low140 Ų140142.2 Ų142.275%0.74977%0.774SS**  trans-83.4168.9174.4-41.4-87.4000114
487P53.2Low32.4Very low116 Ų116148.9 Ų148.975%0.75380%0.797SS**  -160.3143.888.639-17.2000121
488M31.7Very low32.2Very low177 Ų177143.7 Ų143.787%0.87280%0.796SS**  77.7152.3129.8-65.1-69168.600125.9
489M31.1Very low31.9Very low184 Ų184138.3 Ų138.391%0.90680%0.796SS**  trans78.4157.5164.4-58.4-159.7-17000120.3
490A30.5Very low32Very low78 Ų78136.1 Ų136.165%0.64579%0.793SS**  cis-177.4152.7-41.600000110.8
491N28.1Very low32Very low153 Ų153138.1 Ų138.182%0.81880%0.796SS**  trans62176.3161.1-74.6-5.6000119.4
492L29.4Very low32.7Very low137 Ų137135.7 Ų135.772%0.71779%0.792SS**  -170.9128.5-56.8-145168.8000108.8
493S29.4Very low32.5Very low123 Ų123131.7 Ų131.786%0.8679%0.788SS**  trans63165.4167.275.40000118.6
494G29.1Very low32.3Very low74 Ų74137 Ų13776%0.76380%0.8SS**  trans153.4119.3169.400000114.3
495V30.5Very low32.3Very low156 Ų156136.3 Ų136.395%0.94581%0.805SS**  trans-117.7129.5176.7166.40000110.8
496G29.8Very low32.5Very low65 Ų65132.8 Ų132.867%0.6781%0.809SS**  trans109.1156.1130.700000120.5
497Q31Very low32.4Very low210 Ų210129.9 Ų129.998%0.98181%0.812SS**  trans78.5159.7157.5-58.2-169.99500119.3
498S29Very low31.4Very low121 Ų121132.1 Ų132.185%0.84682%0.817SS**  trans-131.1154.7-161.1530000111.7
499A30.8Very low32Very low91 Ų91129.2 Ų129.275%0.75281%0.811SS**  trans-162.7150157.500000114
500S31Very low32.3Very low120 Ų120126 Ų12684%0.83980%0.802SS**  trans77.6126.4149.7-59.40000122
501V35Very low33.3Very low131 Ų131127.2 Ų127.279%0.79480%0.804SS**  trans-110.2-179.3164.2-155.20000107.7
502P49.7Very low33.4Very low115 Ų115127 Ų12775%0.74780%0.802SS**  -155.6128.7100.835.9-15.6000118.5
503G29.6Very low33.7Very low67 Ų67127.7 Ų127.769%0.69181%0.807SS**  trans65.1-179.9155.600000118.1
504W29.8Very low33.7Very low234 Ų234129 Ų12989%0.88680%0.804SS**  cis-147.2115.5-18.3-76.3000107.2
505Q30.2Very low33.7Very low193 Ų193128.7 Ų128.790%0.90280%0.801SS**  90.7140.576.3-169.7164.614.300115
506A32.3Very low33.6Very low104 Ų104125.2 Ų125.286%0.8680%0.796SS**  trans77.6140.9-176.100000116.2
507G30.2Very low33.6Very low78 Ų78125.8 Ų125.880%0.80480%0.803SS**  cis-164161-3.100000114.1
508L31Very low33.7Very low163 Ų163124.9 Ų124.985%0.85380%0.798SS**  trans-107.8164.5177.1-95.8171.7000109.1
509P45.3Very low33.9Very low117 Ų117123.3 Ų123.376%0.7679%0.793SS**  cis-149.2-175.949.942.5-20.7000119.1
510T36.8Very low33.8Very low117 Ų117126.3 Ų126.372%0.71880%0.796SS**  trans-72.3-173.7164.550.70000111.3
511P51Low33.9Very low103 Ų103126.3 Ų126.367%0.66980%0.796SS**  cis-145.4-17714.744.9-23.9000119.2
512D31Very low33.7Very low147 Ų147129.3 Ų129.379%0.78680%0.798SS**  trans-0.7143.5148.5-41.3-50.1000120.4
513N34.9Very low33.6Very low153 Ų153129 Ų12982%0.81880%0.797SS**  156.7157.694.9-15934.8000115
514D30.9Very low35Very low150 Ų150130.9 Ų130.980%0.80280%0.796SS**  trans-19.8173170.5-127.8-59.6000123.3
515G29.1Very low35.1Very low68 Ų68127.3 Ų127.370%0.70179%0.789SS**  trans179.3-37.9163.300000124.9
516G27.9Very low35.1Very low82 Ų82124 Ų12485%0.84578%0.777SS**  trans68.6169.4177.300000119
517G29.7Very low34.9Very low78 Ų78127.7 Ų127.780%0.80477%0.774SS**  trans170.870.2-17900000120.5
518H33.3Very low34.7Very low191 Ų191129.2 Ų129.288%0.88477%0.772SS**  trans37113.7148.7-81.7-107.8000124.2
519A33.6Very low35.6Very low88 Ų88127 Ų12773%0.72777%0.768SS**  60.9106.8118.700000123.7
520N28.3Very low34.7Very low153 Ų153124.7 Ų124.782%0.81877%0.765SS**  57.7107.2121.5-175.236.2000121.4
521S32.4Very low34.6Very low121 Ų121129 Ų12985%0.84677%0.774SS**  trans-155.2147.6130.852.10000114
522K31.5Very low33.5Very low193 Ų193132 Ų13284%0.83978%0.784SS**  trans-121.3176.3173.5-121.3-175.4179.7177.90106.4
523P46.6Very low33.5Very low110 Ų110129 Ų12971%0.71478%0.779SS**  cis-130.3-120.3-8.126.41.4000113.3
524P60.4Low33.3Very low106 Ų106127.6 Ų127.669%0.68878%0.777SS**  -132.7-169.5-115.942.9-23000116.2
525H30.9Very low33.2Very low159 Ų159128.6 Ų128.674%0.73678%0.779SS**  149.9115.1109.4-153.7-123.7000116.9
526L29.5Very low33.4Very low123 Ų123133.8 Ų133.864%0.64478%0.784SS**  trans52.2139.7146.3-67.9-168.1000126.4
527K27.8Very low33.5Very low181 Ų181137.9 Ų137.979%0.78779%0.787SS**  trans76.9108.5139.1-79.8178.4175.6-1760122.2
528S26.4Very low33.6Very low110 Ų110144.4 Ų144.477%0.76979%0.787SS**  60.4154108.3-128.90000121.6
529P49.4Very low33.8Very low118 Ų118144.8 Ų144.877%0.76679%0.787SS**  cis-133.4170.2-4233.9-17.4000114.5
530G28Very low34Very low68 Ų68146.4 Ų146.470%0.70179%0.79SS**  trans89.2146.2144.100000119.4
531K34.3Very low35Very low208 Ų208142.1 Ų142.190%0.90478%0.782SS**  trans-173146.6149.3-97.9141.5-167.7174.40110.1
532N28.3Very low35.4Very low165 Ų165144.3 Ų144.388%0.88278%0.784SS**  trans-94.5171.3175-73.9-12.1000111.6
533A30.2Very low36.1Very low83 Ų83143.5 Ų143.569%0.68679%0.788SS**  trans91.7120.8146.900000119.9
534T31.3Very low36.1Very low124 Ų124143.5 Ų143.576%0.76178%0.782SS**  trans55.7131.3139.657.80000119
535M29.2Very low35.6Very low172 Ų172145.3 Ų145.385%0.84779%0.785SS**  cis-132.9143.331-67.9179.9172.100110.6
536Q32.6Very low36.4Very low176 Ų176143.1 Ų143.182%0.82278%0.779SS**  49.296.878.6-75.8-164.412.700114.7
537D29.6Very low37.5Very low168 Ų168141.9 Ų141.990%0.89878%0.776SS**  trans-128.6156.5137.4-157.2-11.9000107.8
538R32.8Very low38.3Very low215 Ų215141.2 Ų141.281%0.81177%0.774SS**  trans-135.791.7-146.5-169-177.3-166.5165.52.1113.1
539F35.7Very low39.3Very low199 Ų199141.3 Ų141.387%0.87377%0.766SS**  trans-68143.4163.9-80-88.3000110.9G541F539-G541 PolarHBondContact O-N 2.79Å
540P38.7Very low39Very low122 Ų122140.1 Ų140.179%0.79275%0.753SS**  trans-73.8107.5171.830.1-32000109.5
541G50.2Low39.9Very low63 Ų63141 Ų14165%0.64975%0.748SS**  trans-77.3127.215100000107.9F539F539-G541 PolarHBondContact O-N 2.79Å
542D40.9Very low40.8Very low168 Ų168136.5 Ų136.590%0.89873%0.734SS**  trans171.383.3150.3-84.2-14.9000107.4
543L44.4Very low42Very low175 Ų175134.1 Ų134.192%0.91672%0.717SS**  trans-120.7102.4157-96.3173.9000106.1L545L543-L545 PolarHBondContact O-N 3.06Å
544D47.8Very low42.9Very low110 Ų110137.9 Ų137.959%0.58872%0.715SS**  trans-71.2120.1-168.7-155.4-7.5000110.5D546 V547D544-D546 VanDerWaalsContact C-N 3.3Å; D544-V547 HydrophobicContact CB-CG2 4.39Å
545L50.6Low44Very low144 Ų144136 Ų13675%0.75470%0.7SS**SBendtrans-77-20.6-176.1-88.3163.9000112.3L543 V547 F548L543-L545 PolarHBondContact O-N 3.06Å; L545-V547 PolarHBondContact O-N 3.22Å; L545-F548 PolarHBondContact O-N 2.93Å
546D46.6Very low45.6Very low114 Ų114133.7 Ų133.761%0.6169%0.689SS**THydrogen-bonded Turntrans-68-25.7-174.9-67.1-11.7000112.1D544 F548 N549 D550D544-D546 VanDerWaalsContact C-N 3.3Å; D546-F548 PolarHBondContact O-N 3.04Å; D546-F548 VanDerWaalsContact O-N 3.09Å; D546-N549 PolarHBondContact O-N 3.15Å; D546-D550 PolarHBondContact O-N 2.81Å
547V52.6Low46.8Very low97 Ų97129.4 Ų129.459%0.58867%0.671SS**Hα-helixtrans-55.7-27.2174.7173.30000113.3D544 L545D544-V547 HydrophobicContact CB-CG2 4.39Å; L545-V547 PolarHBondContact O-N 3.22Å
548F45.6Very low48.3Very low166 Ų166124.2 Ų124.273%0.72865%0.648SS**Hα-helixtrans-92.7-5.7-179.1-77.1-81000114.7L545 D546L545-F548 PolarHBondContact O-N 2.93Å; D546-F548 PolarHBondContact O-N 3.04Å; D546-F548 VanDerWaalsContact O-N 3.09Å
549N46.2Very low49.6Very low112 Ų112117.9 Ų117.960%0.59963%0.63SS**Hα-helixtrans-96.1-45.4173.4-105.4-6.2000112D546 S551 L552D546-N549 PolarHBondContact O-N 3.15Å; N549-S551 PolarHBondContact O-N 3.4Å; N549-S551 VanDerWaalsContact O-N 3.17Å; N549-L552 PolarHBondContact O-N 3.02Å
550D43.7Very low51Low94 Ų94113 Ų11350%0.50361%0.611SS.*Hα-helixtrans-55.8-37.3-176.2-149.5-51.5000111.7D546 L552 E553 Y554D546-D550 PolarHBondContact O-N 2.81Å; D550-L552 VanDerWaalsContact C-N 3.25Å; D550-L552 PolarHBondContact O-N 3.16Å; D550-E553 WeakPolarHBondContact O-CG 3.38Å; D550-E553 PolarHBondContact O-N 3.06Å; D550-Y554 PolarHBondContact O-N 3.06Å
551S47.5Very low51.9Low86 Ų86112.8 Ų112.860%0.60160%0.595SS**Hα-helixtrans-69.4-11.9177.8-169.60000115.1N549N549-S551 PolarHBondContact O-N 3.4Å; N549-S551 VanDerWaalsContact O-N 3.17Å
552L53.4Low52.2Low114 Ų114113.9 Ų113.960%0.59759%0.586SS**Hα-helixtrans-95.2-31.8176.6-79.8167.9000112.6N549 D550 M556N549-L552 PolarHBondContact O-N 3.02Å; D550-L552 VanDerWaalsContact C-N 3.25Å; D550-L552 PolarHBondContact O-N 3.16Å; L552-M556 PolarHBondContact O-N 2.66Å
553E52.9Low52.9Low115 Ų115113 Ų11354%0.53758%0.576SS.*Hα-helixtrans-74-38.9173.953.4-166.1142.200111.7D550 D555 M556 D557D550-E553 WeakPolarHBondContact O-CG 3.38Å; D550-E553 PolarHBondContact O-N 3.06Å; E553-D555 VanDerWaalsContact C-N 3.28Å; E553-D555 PolarHBondContact O-N 3.11Å; E553-M556 PolarHBondContact O-N 3.07Å; E553-D557 PolarHBondContact O-N 3.09Å; E553-D557 VanDerWaalsContact O-N 3.09Å
554Y49.6Very low53.4Low161 Ų161110.1 Ų110.163%0.63156%0.561SS**Hα-helixtrans-62.4-31.9172.5-120-85.4000113.6D550 S558D550-Y554 PolarHBondContact O-N 3.06Å; Y554-S558 WeakPolarHBondContact O-CB 3.48Å; Y554-S558 PolarHBondContact O-N 3.35Å
555D53.8Low53.9Low84 Ų84111.1 Ų111.145%0.44956%0.564SS.*Hα-helixtrans-76.7-38.6178.6-163.241.5000111.8E553 D557 S558 I559E553-D555 VanDerWaalsContact C-N 3.28Å; E553-D555 PolarHBondContact O-N 3.11Å; D555-D557 VanDerWaalsContact C-N 3.34Å; D555-D557 PolarHBondContact O-N 3.34Å; D555-S558 WeakPolarHBondContact O-CA 3.25Å; D555-S558 WeakPolarHBondContact O-CB 3.26Å; D555-S558 PolarHBondContact O-N 3.16Å; D555-S558 VanDerWaalsContact O-N 3.12Å; D555-I559 WeakPolarHBondContact O-CB 3.36Å; D555-I559 WeakPolarHBondContact O-CD1 3.32Å; D555-I559 VanDerWaalsContact O-CG1 3.25Å; D555-I559 WeakPolarHBondContact O-CG1 3.18Å; D555-I559 PolarHBondContact O-N 3.09Å
556M61.8Low53.9Low125 Ų125110.7 Ų110.762%0.61656%0.558SS**Hα-helixtrans-60.6-43.5170.2-73.6-152.9-5700112L552 E553 S558 I559 I560L552-M556 PolarHBondContact O-N 2.66Å; E553-M556 PolarHBondContact O-N 3.07Å; M556-S558 VanDerWaalsContact C-N 3.26Å; M556-S558 PolarHBondContact O-N 3.47Å; M556-I559 PolarHBondContact O-N 3.07Å; M556-I560 WeakPolarHBondContact O-CB 3.39Å; M556-I560 WeakPolarHBondContact O-CD1 3.37Å; M556-I560 VanDerWaalsContact O-CG1 3.22Å; M556-I560 WeakPolarHBondContact O-CG1 3.04Å; M556-I560 PolarHBondContact O-N 3.21Å
557D58.1Low54.1Low86 Ų86107.9 Ų107.946%0.4655%0.55SS.*Hα-helixtrans-66.8-28175.5-108.413.2000112.2E553 D555 R561E553-D557 PolarHBondContact O-N 3.09Å; E553-D557 VanDerWaalsContact O-N 3.09Å; D555-D557 VanDerWaalsContact C-N 3.34Å; D555-D557 PolarHBondContact O-N 3.34Å; D557-R561 WeakPolarHBondContact O-CB 3.35Å; D557-R561 VanDerWaalsContact O-CG 3.26Å; D557-R561 WeakPolarHBondContact O-CG 3.4Å; D557-R561 PolarHBondContact O-N 2.77Å; D557-R561 PolarHBondContact O-NE 3.46Å; D557-R561 PolarHBondContact O-NH2 3.36Å
558S61Low53.8Low58 Ų58110 Ų11041%0.40656%0.559SS.*Hα-helixtrans-68.7-52.3170.7-165.70000111.3Y554 D555 M556 I560 R561 N562Y554-S558 WeakPolarHBondContact O-CB 3.48Å; Y554-S558 PolarHBondContact O-N 3.35Å; D555-S558 WeakPolarHBondContact O-CA 3.25Å; D555-S558 WeakPolarHBondContact O-CB 3.26Å; D555-S558 PolarHBondContact O-N 3.16Å; D555-S558 VanDerWaalsContact O-N 3.12Å; M556-S558 VanDerWaalsContact C-N 3.26Å; M556-S558 PolarHBondContact O-N 3.47Å; S558-I560 PolarHBondContact O-N 3.21Å; S558-R561 PolarHBondContact O-N 3.24Å; S558-N562 WeakPolarHBondContact O-CB 3.34Å; S558-N562 PolarHBondContact O-N 3.47Å
559I61.7Low53.8Low83 Ų83107.6 Ų107.643%0.42656%0.561SS.*Hα-helixtrans-57.8-47.5178.7-68.4161.7000110.8D555 M556 R561 N562 E563D555-I559 WeakPolarHBondContact O-CB 3.36Å; D555-I559 WeakPolarHBondContact O-CD1 3.32Å; D555-I559 VanDerWaalsContact O-CG1 3.25Å; D555-I559 WeakPolarHBondContact O-CG1 3.18Å; D555-I559 PolarHBondContact O-N 3.09Å; M556-I559 PolarHBondContact O-N 3.07Å; I559-R561 PolarHBondContact O-N 3.48Å; I559-N562 PolarHBondContact O-N 2.86Å; I559-E563 PolarHBondContact O-N 3.09Å
560I64Low53.9Low96 Ų96109.2 Ų109.249%0.49257%0.569SS.*Hα-helixtrans-62.3-43.5178.4-69.5165.5000110.9M556 S558 L564M556-I560 WeakPolarHBondContact O-CB 3.39Å; M556-I560 WeakPolarHBondContact O-CD1 3.37Å; M556-I560 VanDerWaalsContact O-CG1 3.22Å; M556-I560 WeakPolarHBondContact O-CG1 3.04Å; M556-I560 PolarHBondContact O-N 3.21Å; S558-I560 PolarHBondContact O-N 3.21Å; I560-L564 WeakPolarHBondContact O-CB 3.47Å; I560-L564 PolarHBondContact O-N 2.8Å; I560-L564 VanDerWaalsContact O-N 3.09Å
561R57.8Low53.7Low117 Ų117110.9 Ų110.944%0.44258%0.578SS.*Hα-helixtrans-69.3-32.9178.1-74.5177.6-66.1-147.92.7112.4D557 S558 I559 M565D557-R561 WeakPolarHBondContact O-CB 3.35Å; D557-R561 VanDerWaalsContact O-CG 3.26Å; D557-R561 WeakPolarHBondContact O-CG 3.4Å; D557-R561 PolarHBondContact O-N 2.77Å; D557-R561 PolarHBondContact O-NE 3.46Å; D557-R561 PolarHBondContact O-NH2 3.36Å; S558-R561 PolarHBondContact O-N 3.24Å; I559-R561 PolarHBondContact O-N 3.48Å; R561-M565 HydrophobicContact CB-CE 4.4Å; R561-M565 WeakPolarHBondContact O-CB 3.42Å; R561-M565 WeakPolarHBondContact O-CE 3.46Å; R561-M565 WeakPolarHBondContact O-CG 3.33Å; R561-M565 PolarHBondContact O-N 3.04Å; R561-M565 VanDerWaalsContact O-N 3.09Å
562N55.3Low53.3Low86 Ų86113.7 Ų113.746%0.4659%0.585SS.*Hα-helixtrans-77.7-49.9-179.8-154.592000112.1S558 I559 L564 M565 E566S558-N562 WeakPolarHBondContact O-CB 3.34Å; S558-N562 PolarHBondContact O-N 3.47Å; I559-N562 PolarHBondContact O-N 2.86Å; N562-L564 VanDerWaalsContact C-N 3.27Å; N562-L564 PolarHBondContact O-N 2.96Å; N562-M565 PolarHBondContact O-N 3.23Å; N562-E566 PolarHBondContact ND2-OE1 3.23Å; N562-E566 WeakPolarHBondContact O-CB 3.33Å; N562-E566 WeakPolarHBondContact O-CG 3.44Å; N562-E566 PolarHBondContact O-N 3.07Å; N562-E566 VanDerWaalsContact O-N 3.07Å
563E57.6Low52.6Low150 Ų150112.6 Ų112.670%0.70159%0.587SS**Hα-helixtrans-63.2-31.5175.5-73.4-159.6141.100112.6I559I559-E563 PolarHBondContact O-N 3.09Å
564L54.5Low51.8Low115 Ų115115.9 Ų115.960%0.60260%0.6SS**Hα-helixtrans-78.6-40.9179.1-171.460.6000112.9I560 N562 A567I560-L564 WeakPolarHBondContact O-CB 3.47Å; I560-L564 PolarHBondContact O-N 2.8Å; I560-L564 VanDerWaalsContact O-N 3.09Å; N562-L564 VanDerWaalsContact C-N 3.27Å; N562-L564 PolarHBondContact O-N 2.96Å; L564-A567 WeakPolarHBondContact O-CB 3.27Å; L564-A567 PolarHBondContact O-N 2.6Å
565M57.4Low50.9Low131 Ų131113 Ų11365%0.64560%0.596SS**Hα-helixtrans-76.3-22.6178.5-69.8-168.7-61.300113.4R561 N562 A567R561-M565 HydrophobicContact CB-CE 4.4Å; R561-M565 WeakPolarHBondContact O-CB 3.42Å; R561-M565 WeakPolarHBondContact O-CE 3.46Å; R561-M565 WeakPolarHBondContact O-CG 3.33Å; R561-M565 PolarHBondContact O-N 3.04Å; R561-M565 VanDerWaalsContact O-N 3.09Å; N562-M565 PolarHBondContact O-N 3.23Å; M565-A567 PolarHBondContact O-N 2.85Å
566E51.1Low50.2Low135 Ų135114.4 Ų114.463%0.63161%0.607SS**THydrogen-bonded Turntrans-73.3-16171.9-73.7-180-176.600113N562N562-E566 PolarHBondContact ND2-OE1 3.23Å; N562-E566 WeakPolarHBondContact O-CB 3.33Å; N562-E566 WeakPolarHBondContact O-CG 3.44Å; N562-E566 PolarHBondContact O-N 3.07Å; N562-E566 VanDerWaalsContact O-N 3.07Å
567A50Low48.7Very low54 Ų54117.9 Ų117.945%0.44661%0.613SS.*G310 helixtrans-77.6-28.3176.900000114L564 M565 C569 L570L564-A567 WeakPolarHBondContact O-CB 3.27Å; L564-A567 PolarHBondContact O-N 2.6Å; M565-A567 PolarHBondContact O-N 2.85Å; A567-C569 PolarHBondContact O-N 3.41Å; A567-L570 PolarHBondContact O-N 3.37Å
568D46.2Very low47.7Very low143 Ų143120.9 Ų120.977%0.76563%0.629SS**G310 helixtrans-77.70.1-173.6-80.2-20.5000114.4
569C46.9Very low46.3Very low115 Ų115125.6 Ų125.678%0.77765%0.649SS**G310 helixtrans-944.6174.6-79.10000114.4A567 D571A567-C569 PolarHBondContact O-N 3.41Å; C569-D571 PolarHBondContact O-N 2.93Å
570L48.3Very low44.9Very low145 Ų145126.3 Ų126.376%0.75966%0.662SS**  trans-84.292.2173.1-67.5-176.3000111.3A567 L572A567-L570 PolarHBondContact O-N 3.37Å; L570-L572 PolarHBondContact O-N 3.07Å
571D38.7Very low43.3Very low129 Ų129127.2 Ų127.269%0.6967%0.672SS**  trans-50.3109.4173.1174.144.1000112.3C569 S573C569-D571 PolarHBondContact O-N 2.93Å; D571-S573 PolarHBondContact O-N 2.79Å; D571-S573 VanDerWaalsContact OD2-CB 3.27Å; D571-S573 WeakPolarHBondContact OD2-CB 3.48Å; D571-S573 PolarHBondContact OD2-OG 2.67Å
572L39.2Very low41.9Very low145 Ų145127.6 Ų127.676%0.75969%0.692SS**  trans-81.360.2173.9-74.7175.8000111.4L570 F574L570-L572 PolarHBondContact O-N 3.07Å; L572-F574 PolarHBondContact O-N 3.46Å
573S39.6Very low40.9Very low91 Ų91129.8 Ų129.864%0.63671%0.709SS**  trans-64.479168-88.70000111.5D571 D575D571-S573 PolarHBondContact O-N 2.79Å; D571-S573 VanDerWaalsContact OD2-CB 3.27Å; D571-S573 WeakPolarHBondContact OD2-CB 3.48Å; D571-S573 PolarHBondContact OD2-OG 2.67Å; S573-D575 PolarHBondContact O-N 3.32Å
574F34.7Very low39.7Very low184 Ų184130.3 Ų130.381%0.80771%0.712SS**  trans-7761.3179.9-122.3-80.3000112.1L572 V576L572-F574 PolarHBondContact O-N 3.46Å; F574-V576 PolarHBondContact O-N 2.97Å
575D32.2Very low38.6Very low101 Ų101131.5 Ų131.554%0.5472%0.718SS.*  trans-84.5103.1176.1-165.5-10.9000111.1S573 R577S573-D575 PolarHBondContact O-N 3.32Å; D575-R577 VanDerWaalsContact CG-NH1 3.26Å; D575-R577 PolarHBondContact O-N 3.23Å; D575-R577 VanDerWaalsContact O-N 3.07Å; D575-R577 IonicContact OD1-CZ 3.13Å; D575-R577 IonicContact OD1-NH1 2.67Å; D575-R577 IonicContact OD1-NH2 2.79Å; D575-R577 IonicContact OD2-CZ 2.89Å; D575-R577 IonicContact OD2-NH1 3.84Å; D575-R577 PolarHBondContact OD2-NH1 2.87Å; D575-R577 IonicContact OD2-NH2 3.99Å; D575-R577 PolarHBondContact OD2-NH2 2.83Å
576V37.4Very low37.3Very low113 Ų113128.9 Ų128.969%0.68573%0.725SS**  trans-73.496.7179.7175.90000110.3F574F574-V576 PolarHBondContact O-N 2.97Å
577R31.5Very low36.3Very low198 Ų198128.9 Ų128.975%0.74773%0.729SS**  trans-96.695.5163.6-71.2-162.9173.166.425.8112D575D575-R577 VanDerWaalsContact CG-NH1 3.26Å; D575-R577 PolarHBondContact O-N 3.23Å; D575-R577 VanDerWaalsContact O-N 3.07Å; D575-R577 IonicContact OD1-CZ 3.13Å; D575-R577 IonicContact OD1-NH1 2.67Å; D575-R577 IonicContact OD1-NH2 2.79Å; D575-R577 IonicContact OD2-CZ 2.89Å; D575-R577 IonicContact OD2-NH1 3.84Å; D575-R577 PolarHBondContact OD2-NH1 2.87Å; D575-R577 IonicContact OD2-NH2 3.99Å; D575-R577 PolarHBondContact OD2-NH2 2.83Å
578L35.6Very low35.4Very low150 Ų150136.6 Ų136.679%0.78575%0.747SS**  trans-58149.4151-76.2160.8000109.8
579D32.7Very low34.6Very low157 Ų157136.8 Ų136.884%0.8475%0.748SS**  trans-65.8132.6170.8-179.122.2000110.5
580S31.5Very low33.9Very low98 Ų98136.6 Ų136.669%0.68575%0.748SS**  trans-165.486.8177.5-76.90000111.4
581T31.5Very low33Very low114 Ų114133 Ų13370%0.69975%0.746SS**  trans33.7113.6143.457.40000119.1T583T581-T583 PolarHBondContact O-N 2.96Å
582S28.7Very low32.6Very low125 Ų125133 Ų13387%0.87476%0.756SS**  trans-54.5125.6162.1179.50000112
583T32.9Very low32.2Very low133 Ų133136 Ų13682%0.81676%0.763SS**  trans-142.4164.2160.718.30000111.2T581T581-T583 PolarHBondContact O-N 2.96Å
584Q32.3Very low32Very low161 Ų161137.5 Ų137.575%0.75277%0.774SS**  trans-96.4164.7-150-145.9-169.427.700114.5
585N31.4Very low31.8Very low139 Ų139132.6 Ų132.674%0.74378%0.776SS**  trans72.4134.1158-55.3-40.9000118.1
586G29.9Very low31.9Very low76 Ų76132.5 Ų132.578%0.78479%0.788SS**  trans-121.6153.1164.600000111.2
587N30.3Very low31.8Very low136 Ų136137 Ų13773%0.72780%0.799SS**  trans-159.9136161.9-139.7-6.7000112
588R31.8Very low32Very low216 Ų216136.6 Ų136.682%0.81581%0.805SS**  trans48.6114145.9-73.2162.8-160.6-134.6-3.3121.2
589N28.9Very low32Very low147 Ų147136.4 Ų136.479%0.78681%0.811SS**  94.3141.3112.3-168.751.5000120.1
590S32.5Very low31.9Very low110 Ų110134.6 Ų134.677%0.76981%0.81SS**  trans62.5142.1172.763.30000117.7
591G30.1Very low32.7Very low71 Ų71135.5 Ų135.573%0.73281%0.814SS**  cis-178.4165.9-6.200000114.1
592S30.4Very low32.9Very low128 Ų128139.6 Ų139.690%0.89583%0.825SS**  trans34.2110166.2-62.10000121.1
593F30.9Very low33.2Very low208 Ų208139.4 Ų139.491%0.91281%0.814SS**  trans-60.4136.1151.1-140.7-93.5000111.2
594S33.9Very low33.2Very low122 Ų122143.7 Ų143.785%0.85382%0.816SS**  trans165.3137.8146.8-81.60000112.7
595G30.2Very low33.1Very low82 Ų82141.5 Ų141.585%0.84581%0.813SS**  trans139.377.5162.900000116.1
596A35.6Very low34.2Very low98 Ų98140.6 Ų140.681%0.8181%0.814SS**  trans-81.6148.6169.400000112
597K34.4Very low34.9Very low209 Ų209146.5 Ų146.591%0.90984%0.844SS**  trans-164.8142.3148.2-112.8159.9-1721770113.5
598Q36.6Very low35.1Very low188 Ų188147 Ų14788%0.87985%0.85SS**  trans-84.8148.5165.9-58.7162.6-4000109.8
599T35Very low35.3Very low146 Ų146143.4 Ų143.490%0.89685%0.851SS**  trans-142.6150.5151.349.30000110.2
600S31Very low35.7Very low119 Ų119143.2 Ų143.283%0.83286%0.855SS**  trans-84.5169.9179.9-115.10000112.7
601P48Very low35.8Very low117 Ų117145.1 Ų145.176%0.7686%0.86SS**  trans-86.4163.7-16535.6-37.4000114
602Q35.1Very low36.2Very low201 Ų201149.8 Ų149.894%0.93987%0.868SS**  trans-142.4147.3156.7-124.3175.110.800113.6
603N35.9Very low36.6Very low121 Ų121151.2 Ų151.265%0.64787%0.866SS**  trans-78.7160.9-171.8-172.327.6000112.8
604W33.1Very low37Very low223 Ų223147.1 Ų147.185%0.84586%0.863SS**  163.2165.1125.9-90.698.1000112.6
605V30.8Very low37.2Very low115 Ų115149.1 Ų149.170%0.69786%0.864SS**  trans-92.7146.9-161.3-179.70000112.6
606P54.4Low37.8Very low119 Ų119154.7 Ų154.777%0.77387%0.865SS**  trans-79.9156.2172.9-6.824.9000113.8
607S43.8Very low38Very low200 Ų200159.8 Ų159.8100%1.39987%0.87SS**  trans-1180162.7-63.70000110

Retrieved 607 of 607 residues in 139.6 ms (Link to these results)