A0A3Q0KTG2_SCHMA Loading...

Elav (Embryonic lethal, abnormal vision,drosophila)-like protein

AlphaFold DB , UniProt , Accession A0A3Q0KTG2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 778 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.9Very low42.4Very low232 Ų232146.6 Ų146.6100%1.14382%0.822SS**  01110-66160.270.200106.5
2I53.4Low41.5Very low162 Ų162143.1 Ų143.183%0.83181%0.814SS**  cis-126.7140.5-6.3-66172.4000106.6
3N43.1Very low40.8Very low138 Ų138143.8 Ų143.874%0.73881%0.809SS**  trans-99.2151.6-178.7-64.23.3000111.2
4P55Low40.2Very low115 Ų115146.5 Ų146.575%0.74780%0.802SS**  trans-72.8-169.8153.138.7-37.7000109.2
5P47.5Very low39.8Very low116 Ų116147 Ų14775%0.75380%0.799SS**  cis-132.1-132.89.936.9-10.8000109.3
6P47.9Very low39.2Very low110 Ų110146.7 Ų146.771%0.71480%0.797SS**  cis-131.8-175.3-20.534.9-13.6000115.6
7E34.8Very low39.1Very low189 Ų189146.7 Ų146.788%0.88380%0.796SS**  trans-71.6153.6166.7-55177.214600112.7
8T41.8Very low38.9Very low141 Ų141147.7 Ų147.787%0.86579%0.791SS**  trans-141147.3159.650.30000110.6
9N31.5Very low38.6Very low155 Ų155147.4 Ų147.483%0.82979%0.788SS**  trans-135.1124.3-170.2179.610.2000110.2
10S39Very low38.4Very low105 Ų105144.3 Ų144.373%0.73478%0.784SS**  trans-158.294.4-178.559.50000114.7
11N36.7Very low38.4Very low150 Ų150146.4 Ų146.480%0.80279%0.786SS**  trans30.7121.6133.1-60.1-27000121.1
12S30.9Very low38.4Very low104 Ų104142.1 Ų142.173%0.72777%0.767SS**  22.4123.9124.1-173.80000119.6
13M32.8Very low37.4Very low152 Ų152141 Ų14175%0.74976%0.762SS**  -175.8128.6113.2-102.5-174.472.600115.7
14Y32.3Very low36.8Very low182 Ų182141.7 Ų141.771%0.71477%0.766SS**  trans67.2135.8132.6-87.7-128.5000124.6
15M34.8Very low35.9Very low154 Ų154145.2 Ų145.276%0.75977%0.773SS**  trans90.4105.9138.8-74.4-68.1-175.300123.4
16N29.3Very low35Very low142 Ų142148.4 Ų148.476%0.75978%0.777SS**  trans-44.2145153.3-56-35000115.2
17N37.2Very low34.3Very low147 Ų147150.4 Ų150.479%0.78679%0.788SS**  trans171.8151.6146.9-94.7-47.2000109.3
18K36.3Very low34.1Very low164 Ų164146.4 Ų146.471%0.71378%0.781SS**  cis-169.4132.2-12.1-171.3169.2-173.8169.80111.7
19I33.4Very low33.6Very low142 Ų142146.1 Ų146.173%0.72878%0.783SS**  trans60.3110.6153.9-63.8171.7000120.7
20A34.8Very low33.6Very low85 Ų85144.2 Ų144.270%0.70278%0.782SS**  trans11.7147139.200000123.9
21K37.3Very low33.4Very low190 Ų190148.8 Ų148.883%0.82679%0.792SS**  -171.5148.1114.1-105.1168.4-175179.60115.8
22L36.2Very low33.2Very low141 Ų141146 Ų14674%0.73879%0.789SS**  trans70.297.8149.9-64.8164.5000121.9
23N32.9Very low33.5Very low138 Ų138148.9 Ų148.974%0.73880%0.795SS**  43.4137120.4-54.510.2000123.4
24N31Very low33.3Very low154 Ų154149 Ų14982%0.82480%0.798SS**  trans62.5138.4154.4-74.419.4000116.9
25E35.8Very low33.5Very low188 Ų188147.9 Ų147.988%0.87980%0.803SS**  cis-138.4-178.426.9-70.8-178.8116.800113.9
26Q28.9Very low33.5Very low183 Ų183145.7 Ų145.786%0.85580%0.8SS**  trans-83.9144.2171.4-58.7168.7-4400111.4
27T33.3Very low33.5Very low152 Ų152146.1 Ų146.193%0.93380%0.803SS**  trans-170.3158.9132.312.20000112.6
28S30.4Very low33.5Very low105 Ų105144.8 Ų144.873%0.73480%0.8SS**  trans-93.1164.6-172.9-47.90000113.3
29C30Very low33.2Very low136 Ų136142 Ų14292%0.91980%0.797SS**  trans-136.385.9160.8-85.30000110.5
30S31.6Very low33.3Very low115 Ų115142.7 Ų142.780%0.80480%0.802SS**PPolyproline II helixtrans-83.2139164-54.60000109.3
31Q35.3Very low33.3Very low201 Ų201145.2 Ų145.294%0.93980%0.803SS**PPolyproline II helixtrans-103.6130.1169.2-73.7-176.8-16.700110
32A32Very low33.1Very low90 Ų90143.1 Ų143.174%0.74480%0.801SS**PPolyproline II helixtrans-100.4154.8-174.200000112
33I36.8Very low33Very low166 Ų166144.9 Ų144.985%0.85181%0.808SS**  trans-119124.8159-63.6180000106.7
34N28.9Very low32.7Very low153 Ų153144.5 Ų144.582%0.81881%0.811SS**  trans-72.3135.8-178.7-82.3-25.7000111.8
35I36.5Very low32.7Very low159 Ų159144.2 Ų144.282%0.81581%0.808SS**  trans-131123.5146.5-56.8-178.7000106.1
36P36.3Very low32.6Very low108 Ų108141.1 Ų141.170%0.70180%0.802SS**  trans-78.2147.3-172.731.4-35.1000112.3
37N28Very low32.8Very low151 Ų151139 Ų13981%0.80780%0.795SS**  trans-79.4130.4171.6-163.920.1000109.8
38V37.5Very low33Very low119 Ų119139.1 Ų139.172%0.72179%0.79SS**  trans-123.999.9173.7-179.80000108.9
39T29.6Very low33.3Very low106 Ų106140.1 Ų140.165%0.6579%0.787SS**  trans-69.1139.6164.448.10000110.3
40N35.6Very low33.8Very low156 Ų156140.9 Ų140.983%0.83478%0.782SS**  trans-154.8128.5150.9-100.5-26.9000109.6
41D35.6Very low34Very low138 Ų138142.5 Ų142.574%0.73878%0.781SS**  trans-83.7155.2-176.9-66.2-85.6000113.3
42N32.6Very low34.2Very low147 Ų147136 Ų13679%0.78677%0.769SS**  trans14.5110.4145.3-57.2-53000118.3
43M34.1Very low34.4Very low178 Ų178139.8 Ų139.888%0.87778%0.777SS**  trans-147.1128.5135.5-149.6156.5-68.600113
44T27.5Very low34.5Very low130 Ų130135.2 Ų135.280%0.79877%0.77SS**  trans-75.8-172.5169.2-13.20000110.9
45I30.6Very low34.8Very low148 Ų148135 Ų13576%0.75977%0.769SS**  trans102.2134.6172.8-58.8161.9000113
46T33.2Very low34.9Very low122 Ų122131.6 Ų131.675%0.74876%0.759SS**  cis-160.4155.1-24.6-89.40000107
47I33.5Very low34.9Very low140 Ų140133.6 Ų133.672%0.71876%0.764SS**  trans-71140.6175.2-59.8159.3000110.7
48D37.3Very low35.2Very low154 Ų154134.1 Ų134.182%0.82476%0.761SS**  trans-148.4155.9147-130.1-32.7000113.8
49N36.9Very low35Very low126 Ų126134 Ų13467%0.67476%0.761SS**  trans-109.5162.6-169.5-69.1-79.8000113.2
50N39.8Very low35Very low152 Ų152137.4 Ų137.481%0.81377%0.769SS**  trans157.8153.1137.6-84.9-47.8000111.8
51N36.8Very low34.7Very low148 Ų148138.7 Ų138.779%0.79177%0.77SS**  cis-169.5141.5-23.6-1744.6000110.4
52G39.7Very low34.3Very low66 Ų66137.1 Ų137.168%0.6877%0.77SS**  trans80.2161.9154.300000118
53N34.8Very low34.2Very low169 Ų169137 Ų13790%0.90478%0.775SS**  cis-165.3157.1-12.2-1716.5000108.4
54G39.8Very low33.9Very low69 Ų69133.5 Ų133.571%0.71177%0.768SS**  trans151.541.8167.100000123.5
55N36Very low34.5Very low148 Ų148133.8 Ų133.879%0.79177%0.772SS**  trans47.4104.4149.5-99.4-20.8000123.3
56S38.7Very low34.5Very low88 Ų88132.3 Ų132.362%0.61577%0.77SS**  77.8139.2106.1-610000125.1
57N35.3Very low34.5Very low151 Ų151135.4 Ų135.481%0.80778%0.776SS**  trans77.6141.6157-57.7-27.9000118.9
58H35Very low34.8Very low162 Ų162137 Ų13775%0.7579%0.785SS**  cis-165.7167.3-20.6-166.7-70.6000108.3
59V33Very low34.6Very low116 Ų116135.2 Ų135.270%0.70378%0.775SS**  trans80.770.7167-158.30000118.2
60Q28.5Very low34.5Very low178 Ų178139.4 Ų139.483%0.83279%0.787SS**  44.190.1106.5-165.3171.613.700119.9
61Q29.1Very low34.1Very low183 Ų183135.9 Ų135.986%0.85578%0.775SS**  trans-152.7144.6143.8-141.5170.11400112.5
62S28.4Very low34.1Very low105 Ų105134.8 Ų134.873%0.73477%0.774SS**  trans39.6113.7162.959.10000120.9
63T30.1Very low34Very low144 Ų144139.8 Ų139.888%0.88378%0.783SS**  trans-156.6127.6137.716.80000109.8
64S28.4Very low34Very low105 Ų105137.9 Ų137.973%0.73477%0.771SS**PPolyproline II helixtrans-94.4147.3157.748.50000108.8T66S64-T66 PolarHBondContact O-N 3.38Å
65P39.8Very low33.7Very low136 Ų136141.6 Ų141.688%0.88378%0.775SS**PPolyproline II helixtrans-67.8128.7-167.2-21.534.3000113.5
66T31.1Very low33.7Very low116 Ų116142.4 Ų142.471%0.71278%0.78SS**PPolyproline II helixtrans-74.4153.9174.6-35.10000111.6S64 L68S64-T66 PolarHBondContact O-N 3.38Å; T66-L68 PolarHBondContact O-N 2.75Å
67E32.1Very low33.6Very low187 Ų187145 Ų14587%0.87479%0.785SS**  trans-23.6115173.7-58.7173.8114.100116.8D69E67-D69 PolarHBondContact O-N 3.16Å
68L39.6Very low33.7Very low174 Ų174139.6 Ų139.691%0.91176%0.758SS**  trans-87.392.4163.2-102.6138.9000110.4T66T66-L68 PolarHBondContact O-N 2.75Å
69D33.4Very low34Very low116 Ų116142.6 Ų142.662%0.6276%0.764SS**  trans30.797.4144.9-150.8-2000117.9E67 S71E67-D69 PolarHBondContact O-N 3.16Å; D69-S71 PolarHBondContact O-N 3.25Å; D69-S71 WeakPolarHBondContact OD1-CB 3.43Å; D69-S71 PolarHBondContact OD1-OG 3.29Å
70K35.4Very low34.4Very low214 Ų214145.7 Ų145.793%0.9377%0.77SS**  trans-88.229.4-178.3-137.8169.9-169.6171.60113.2
71S31.9Very low35.2Very low78 Ų78140.4 Ų140.455%0.54575%0.748SS.*  trans-1087.7-158.5-51.70000116D69D69-S71 PolarHBondContact O-N 3.25Å; D69-S71 WeakPolarHBondContact OD1-CB 3.43Å; D69-S71 PolarHBondContact OD1-OG 3.29Å
72T35.8Very low36Very low126 Ų126138.4 Ų138.477%0.77373%0.734SS**SBendtrans-124.58.2-172-320000114.7
73I37.4Very low37.1Very low170 Ų170140.9 Ų140.987%0.87273%0.734SS**  trans-105.166.3167.7-52.4-173.6000109.2
74I35.7Very low38.7Very low129 Ų129136.6 Ų136.666%0.66271%0.705SS**  trans-129.3104.1169.4-56.3174.1000105.3
75N33.1Very low41.3Very low147 Ų147136.5 Ų136.579%0.78669%0.689SS**SBendtrans167-28.8148-84.1-21.9000113.6I77N75-I77 PolarHBondContact O-N 2.8Å
76D35Very low43.8Very low166 Ų166130.8 Ų130.889%0.88865%0.652SS**SBendtrans-78.338.3-172.9-68.6-38.1000115.5
77I38Very low46.9Very low143 Ų143127.8 Ų127.873%0.73363%0.631SS**  trans-142.6141.9174.2-28.6177.8000111.3N75N75-I77 PolarHBondContact O-N 2.8Å
78T37.4Very low49.9Very low37 Ų37118.9 Ų118.923%0.22759%0.589CS.*  trans83.271.7162.773.50000118.8N81 Y82T78-N81 HydrophobicContact CG2-CB 3.38Å; T78-Y82 WeakPolarHBondContact O-CD2 3.09Å; T78-Y82 VanDerWaalsContact O-CE2 3.32Å; T78-Y82 WeakPolarHBondContact O-CE2 3.36Å
79Y41.4Very low52.6Low225 Ų225112 Ų11288%0.88255%0.553SS**SBendtrans-89.8-49.6137.7-98-87.8000110.6N81 Y82Y79-N81 PolarHBondContact O-N 2.9Å; Y79-Y82 PolarHBondContact O-N 3Å
80E41Very low55.6Low180 Ų180106.5 Ų106.584%0.84152%0.524SS*.THydrogen-bonded Turntrans-62.719.7175-64.8-60.6138.800116.2
81N44.6Very low58.4Low68 Ų6897.9 Ų97.936%0.36449%0.488SS..THydrogen-bonded Turntrans-1439.5-174-124.9-30000115T78 Y79 N84T78-N81 HydrophobicContact CG2-CB 3.38Å; Y79-N81 PolarHBondContact O-N 2.9Å; N81-N84 PolarHBondContact OD1-ND2 3.26Å
82Y45.8Very low61.4Low140 Ų14099 Ų9955%0.54948%0.481SS..SBendtrans-79.8-42.5172.2-90.1-89.3000112.5T78 Y79 N84 R85T78-Y82 WeakPolarHBondContact O-CD2 3.09Å; T78-Y82 VanDerWaalsContact O-CE2 3.32Å; T78-Y82 WeakPolarHBondContact O-CE2 3.36Å; Y79-Y82 PolarHBondContact O-N 3Å; Y82-N84 VanDerWaalsContact C-N 3.25Å; Y82-N84 PolarHBondContact O-N 3.09Å; Y82-R85 PolarHBondContact O-N 3.49Å
83E51.5Low64.2Low157 Ų15793 Ų9373%0.73444%0.444SS*.Hα-helixtrans-62.6-30.3178.7-59.1-157.6155.400113.3R85 T86E83-R85 PolarHBondContact O-N 3.43Å; E83-T86 PolarHBondContact O-OG1 2.77Å; E83-T86 VanDerWaalsContact O-OG1 3.07Å
84N63.5Low66.9Low55 Ų5585 Ų8529%0.29440%0.404SS..Hα-helixtrans-70.6-12.2176.8-68.6-43.1000113.6N81 Y82N81-N84 PolarHBondContact OD1-ND2 3.26Å; Y82-N84 VanDerWaalsContact C-N 3.25Å; Y82-N84 PolarHBondContact O-N 3.09Å
85R82.7Confident69.5Low102 Ų10283.2 Ų83.239%0.38539%0.392SS..Hα-helixtrans-94.2-16.6-178.6-68176.2176.5154.20.2113.8Y82 E83 A137 A140 L161Y82-R85 PolarHBondContact O-N 3.49Å; E83-R85 PolarHBondContact O-N 3.43Å; R85-A137 HydrophobicContact CB-CB 3.92Å; R85-A140 VanDerWaalsContact O-CB 3.31Å; R85-A140 WeakPolarHBondContact O-CB 3.32Å; R85-L161 WeakPolarHBondContact O-CD2 3.39Å
86T93.2Very high72.4Confident17 Ų1781 Ų8110%0.10438%0.384CS..Hα-helixtrans-87.8-24.617755.60000113.5E83 N133 Y134 A137E83-T86 PolarHBondContact O-OG1 2.77Å; E83-T86 VanDerWaalsContact O-OG1 3.07Å; T86-N133 WeakPolarHBondContact CB-OD1 3.46Å; T86-N133 PolarHBondContact O-OD1 3.43Å; T86-N133 PolarHBondContact OG1-OD1 2.79Å; T86-Y134 WeakPolarHBondContact CB-O 3.46Å; T86-Y134 PolarHBondContact O-N 3.02Å; T86-A137 HydrophobicContact CG2-CB 4.1Å
87N95.8Very high75.2Confident52 Ų5273.6 Ų73.628%0.27835%0.345SS..EExtended strand (participates in β ladder)trans-89.6124.8-173-1706.9000111.7N133 A162N87-N133 WeakPolarHBondContact CA-OD1 3.44Å; N87-N133 PolarHBondContact N-OD1 3.07Å; N87-A162 HydrophobicContact CB-CB 4.12Å; N87-A162 WeakPolarHBondContact O-CB 3.12Å; N87-A162 PolarHBondContact O-N 2.92Å
88L96.6Very high77.9Confident0 Ų068.6 Ų68.60%032%0.322CS..EExtended strand (participates in β ladder)trans-114.1144.6179.8-56.9-173.3000111.7F106 F131 V132 Y134 A140 A143 I144 V159 S160 L161L88-F106 HydrophobicContact CD1-CE1 4.4Å; L88-F131 CarbonylContact O-C 3.53Å; L88-F131 VanDerWaalsContact O-CA 3.28Å; L88-F131 WeakPolarHBondContact O-CA 3.42Å; L88-V132 HydrophobicContact CB-CB 4.48Å; L88-V132 WeakPolarHBondContact CB-O 3.33Å; L88-V132 PolarHBondContact N-O 3.46Å; L88-V132 PolarHBondContact O-N 2.84Å; L88-Y134 HydrophobicContact CD1-CD2 4.2Å; L88-Y134 HydrophobicContact CD1-CE2 3.77Å; L88-Y134 HydrophobicContact CG-CD2 4.5Å; L88-Y134 HydrophobicContact CG-CE2 4.49Å; L88-A140 HydrophobicContact CD1-CB 4.4Å; L88-A140 HydrophobicContact CD2-CB 4.02Å; L88-A140 HydrophobicContact CG-CB 4.17Å; L88-A143 HydrophobicContact CD1-CB 3.85Å; L88-I144 HydrophobicContact CD1-CG1 4.27Å; L88-I144 HydrophobicContact CD2-CD1 3.64Å; L88-I144 HydrophobicContact CD2-CG1 3.7Å; L88-V159 HydrophobicContact CD1-CG1 3.82Å; L88-S160 CarbonylContact C-O 3.55Å; L88-S160 WeakPolarHBondContact CA-O 3.13Å; L88-L161 HydrophobicContact CD2-CD2 3.93Å
89I95.5Very high80.7Confident30 Ų3070.9 Ų70.915%0.15433%0.33CS..EExtended strand (participates in β ladder)trans-104.3130.4163.9-168.8177.3000109.9Y129 F131 S160 A162I89-Y129 HydrophobicContact CD1-CD2 4.38Å; I89-F131 HydrophobicContact CB-CD1 4.09Å; I89-F131 HydrophobicContact CB-CE1 3.95Å; I89-F131 HydrophobicContact CD1-CE1 3.91Å; I89-F131 HydrophobicContact CD1-CZ 4.02Å; I89-F131 HydrophobicContact CG1-CD1 4.19Å; I89-F131 HydrophobicContact CG1-CE1 3.83Å; I89-F131 HydrophobicContact CG1-CZ 4.25Å; I89-S160 WeakPolarHBondContact CG2-OG 3.46Å; I89-S160 PolarHBondContact N-O 2.78Å; I89-S160 PolarHBondContact O-N 2.89Å; I89-A162 HydrophobicContact CB-CB 4.33Å
90V96.4Very high83.3Confident0 Ų065 Ų650%031%0.311CS..EExtended strand (participates in β ladder)trans-113.2115.8-178.8-170.80000108.3L93 F106 Y129 G130 V132 I157 V159V90-L93 HydrophobicContact CG1-CD1 4.35Å; V90-L93 HydrophobicContact CG1-CD2 3.57Å; V90-L93 HydrophobicContact CG1-CG 4.08Å; V90-F106 HydrophobicContact CB-CZ 4.25Å; V90-F106 HydrophobicContact CG1-CE2 4.06Å; V90-F106 HydrophobicContact CG1-CZ 3.8Å; V90-F106 HydrophobicContact CG2-CE1 3.8Å; V90-F106 HydrophobicContact CG2-CE2 3.92Å; V90-F106 HydrophobicContact CG2-CZ 3.36Å; V90-Y129 CarbonylContact O-C 3.57Å; V90-Y129 WeakPolarHBondContact O-CA 3.31Å; V90-Y129 VanDerWaalsContact O-CB 3.3Å; V90-Y129 WeakPolarHBondContact O-CB 3.44Å; V90-G130 PolarHBondContact N-O 3.37Å; V90-G130 PolarHBondContact O-N 2.84Å; V90-V132 HydrophobicContact CG2-CG2 3.95Å; V90-I157 HydrophobicContact CG1-CD1 4.34Å; V90-V159 HydrophobicContact CG1-CG2 4.28Å
91N94.8Very high85.8Confident33 Ų3360.9 Ų60.918%0.17629%0.292CS..EExtended strand (participates in β ladder)trans-112.4158.2-175.4-64.5-95.1000111.4I157 K158N91-I157 WeakPolarHBondContact O-CA 3.19Å; N91-K158 HydrophobicContact CB-CB 4.32Å; N91-K158 PolarHBondContact N-O 2.85Å; N91-K158 PolarHBondContact O-N 3.33Å
92Y93.7Very high88.3Confident101 Ų10157.7 Ų57.740%0.39627%0.274SS..SBendtrans64.834179.8-43.6-56.6000114.5G128 K155 T156 K158Y92-G128 PolarHBondContact N-O 2.6Å; Y92-K155 VanDerWaalsContact O-CB 3.23Å; Y92-K155 WeakPolarHBondContact O-CB 3.17Å; Y92-K155 WeakPolarHBondContact O-CD 3.32Å; Y92-T156 WeakPolarHBondContact CB-O 3.43Å; Y92-K158 HydrophobicContact CD2-CB 3.91Å; Y92-K158 HydrophobicContact CE2-CB 3.87Å
93L94.8Very high90.7Very high0 Ų055.6 Ų55.60%027%0.266CS..  trans-66.1146170.2-60.6177.2000111.2V90 M97 M102 L117 G128 K155 I157V90-L93 HydrophobicContact CG1-CD1 4.35Å; V90-L93 HydrophobicContact CG1-CD2 3.57Å; V90-L93 HydrophobicContact CG1-CG 4.08Å; L93-M97 HydrophobicContact CB-SD 4.44Å; L93-M97 HydrophobicContact CD2-SD 3.86Å; L93-M102 HydrophobicContact CD1-SD 3.53Å; L93-M102 VanDerWaalsContact CD1-SD 3.53Å; L93-L117 HydrophobicContact CD1-CD1 3.59Å; L93-G128 PolarHBondContact N-O 3.5Å; L93-G128 WeakPolarHBondContact O-CA 3.25Å; L93-K155 WeakPolarHBondContact O-CD 3.32Å; L93-K155 PolarHBondContact O-NZ 2.85Å; L93-I157 HydrophobicContact CD2-CG2 4Å
94P93.4Very high92.8Very high4 Ų452.7 Ų52.73%0.02625%0.254CS..  trans-58146.1167.2-23.334.3000111.8T96 M97 L152 Q153P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 3.13Å; P94-M97 HydrophobicContact CB-CB 4.34Å; P94-M97 WeakPolarHBondContact O-CB 3.26Å; P94-M97 PolarHBondContact O-N 3.43Å; P94-L152 HydrophobicContact CG-CB 3.97Å; P94-Q153 HydrophobicContact CG-CB 4.41Å; P94-Q153 HydrophobicContact CG-CG 4.29Å
95Q91.8Very high94.3Very high90 Ų9051 Ų5142%0.42125%0.245SC..THydrogen-bonded Turntrans-70.8-25.9179-76.3-176.2-38.500112.8M97 S126Q95-M97 PolarHBondContact O-N 3.3Å; Q95-S126 WeakPolarHBondContact O-CB 3.2Å
96T92.9Very high95Very high100 Ų10046.2 Ų46.261%0.61323%0.227SC*.THydrogen-bonded Turntrans-69.2-19.5173.865.80000112.9P94 S98 Q153P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 3.13Å; T96-S98 PolarHBondContact O-N 3.22Å; T96-Q153 PolarHBondContact OG1-NE2 3.32Å
97M93.5Very high95.1Very high12 Ų1248.3 Ų48.36%0.05924%0.242CC..  trans-68.7129.8-171.3-163.7172.3-173.600110.9L93 P94 Q95 E101 M102 L105 L117 R119 L152L93-M97 HydrophobicContact CB-SD 4.44Å; L93-M97 HydrophobicContact CD2-SD 3.86Å; P94-M97 HydrophobicContact CB-CB 4.34Å; P94-M97 WeakPolarHBondContact O-CB 3.26Å; P94-M97 PolarHBondContact O-N 3.43Å; Q95-M97 PolarHBondContact O-N 3.3Å; M97-E101 HydrophobicContact CE-CB 3.99Å; M97-E101 HydrophobicContact CG-CB 4.06Å; M97-M102 HydrophobicContact CE-CB 4.22Å; M97-L105 HydrophobicContact CE-CD2 4.09Å; M97-L117 WeakPolarHBondContact O-CD2 3.35Å; M97-R119 PolarHBondContact O-NH2 2.86Å; M97-L152 HydrophobicContact CE-CD1 3.93Å; M97-L152 HydrophobicContact SD-CD1 3.84Å
98S95.2Very high95.1Very high38 Ų3853.4 Ų53.427%0.26626%0.262SS..  trans-80.8165.4175.167.10000111.8T96 E100 E101 M102T96-S98 PolarHBondContact O-N 3.22Å; S98-E100 VanDerWaalsContact C-N 3.26Å; S98-E101 VanDerWaalsContact CB-OE2 3.25Å; S98-E101 WeakPolarHBondContact CB-OE2 3.44Å; S98-E101 PolarHBondContact N-OE2 3.47Å; S98-E101 WeakPolarHBondContact OG-CB 3.45Å; S98-E101 VanDerWaalsContact OG-CG 3.29Å; S98-E101 WeakPolarHBondContact OG-CG 3.49Å; S98-E101 PolarHBondContact OG-N 3.49Å; S98-E101 PolarHBondContact OG-OE2 2.75Å; S98-M102 PolarHBondContact O-N 3.12Å
99Q95.7Very high95Very high85 Ų8555.1 Ų55.140%0.39727%0.271SS..Hα-helixtrans-67.2-31.5171.8-173.6168.8-75.300111.4M102 R103 C115 L117Q99-M102 WeakPolarHBondContact O-CB 3.43Å; Q99-M102 PolarHBondContact O-N 3.15Å; Q99-R103 WeakPolarHBondContact O-CB 3.5Å; Q99-R103 PolarHBondContact O-N 3.22Å; Q99-C115 PolarHBondContact NE2-O 3.27Å; Q99-L117 HydrophobicContact CB-CB 3.92Å; Q99-L117 HydrophobicContact CG-CB 4.14Å
100E95.9Very high95Very high101 Ų10154.3 Ų54.347%0.47227%0.27SS..Hα-helixtrans-76.6-37.4-177.7-164.252.7-139.200112.2S98 M102 R103 I104S98-E100 VanDerWaalsContact C-N 3.26Å; E100-M102 PolarHBondContact O-N 2.78Å; E100-R103 WeakPolarHBondContact O-CB 3.48Å; E100-R103 PolarHBondContact O-N 3.27Å; E100-R103 VanDerWaalsContact O-N 3.11Å; E100-R103 WeakPolarHBondContact OE1-CD 3.31Å; E100-R103 VanDerWaalsContact OE2-CD 3.23Å; E100-R103 WeakPolarHBondContact OE2-CD 3.43Å; E100-I104 HydrophobicContact CG-CD1 4.01Å; E100-I104 HydrophobicContact CG-CG1 4.38Å; E100-I104 WeakPolarHBondContact O-CB 3.27Å; E100-I104 VanDerWaalsContact O-CG1 3.27Å; E100-I104 WeakPolarHBondContact O-CG1 3.4Å; E100-I104 PolarHBondContact O-N 3.35Å
101E95.4Very high95Very high94 Ų9461.5 Ų61.544%0.43930%0.301SS..Hα-helixtrans-59.1-36.8168.6-72.8161.8109.600111.8M97 S98 L105M97-E101 HydrophobicContact CE-CB 3.99Å; M97-E101 HydrophobicContact CG-CB 4.06Å; S98-E101 VanDerWaalsContact CB-OE2 3.25Å; S98-E101 WeakPolarHBondContact CB-OE2 3.44Å; S98-E101 PolarHBondContact N-OE2 3.47Å; S98-E101 WeakPolarHBondContact OG-CB 3.45Å; S98-E101 VanDerWaalsContact OG-CG 3.29Å; S98-E101 WeakPolarHBondContact OG-CG 3.49Å; S98-E101 PolarHBondContact OG-N 3.49Å; S98-E101 PolarHBondContact OG-OE2 2.75Å; E101-L105 WeakPolarHBondContact O-CB 3.49Å; E101-L105 PolarHBondContact O-N 2.92Å
102M95.6Very high95Very high0 Ų060.6 Ų60.60%030%0.296CS..Hα-helixtrans-68.4-40.5174.3-168.5175.378.800111.4L93 M97 S98 Q99 E100 L105 F106 C115 L117 V132L93-M102 HydrophobicContact CD1-SD 3.53Å; L93-M102 VanDerWaalsContact CD1-SD 3.53Å; M97-M102 HydrophobicContact CE-CB 4.22Å; S98-M102 PolarHBondContact O-N 3.12Å; Q99-M102 WeakPolarHBondContact O-CB 3.43Å; Q99-M102 PolarHBondContact O-N 3.15Å; E100-M102 PolarHBondContact O-N 2.78Å; M102-L105 PolarHBondContact O-N 3.3Å; M102-F106 HydrophobicContact CG-CD2 4.12Å; M102-F106 HydrophobicContact CG-CE2 4.32Å; M102-F106 WeakPolarHBondContact O-CD2 3.19Å; M102-F106 PolarHBondContact O-N 3.37Å; M102-F106 VanDerWaalsContact O-N 3.1Å; M102-C115 WeakPolarHBondContact CE-SG 3.17Å; M102-L117 HydrophobicContact CE-CB 4.21Å; M102-L117 HydrophobicContact SD-CD1 4.32Å; M102-V132 HydrophobicContact CE-CG2 4.07Å; M102-V132 HydrophobicContact CG-CG2 4.41Å; M102-V132 HydrophobicContact SD-CG2 4.41Å
103R97.1Very high95.1Very high96 Ų9658.6 Ų58.636%0.36230%0.301SS..Hα-helixtrans-61.7-51.8175.8-160.9179.2-150.4-68-8.5111.3Q99 E100 L105 F106 S107 L112 C115Q99-R103 WeakPolarHBondContact O-CB 3.5Å; Q99-R103 PolarHBondContact O-N 3.22Å; E100-R103 WeakPolarHBondContact O-CB 3.48Å; E100-R103 PolarHBondContact O-N 3.27Å; E100-R103 VanDerWaalsContact O-N 3.11Å; E100-R103 WeakPolarHBondContact OE1-CD 3.31Å; E100-R103 VanDerWaalsContact OE2-CD 3.23Å; E100-R103 WeakPolarHBondContact OE2-CD 3.43Å; R103-L105 VanDerWaalsContact C-N 3.34Å; R103-L105 PolarHBondContact O-N 2.88Å; R103-F106 PolarHBondContact O-N 3.04Å; R103-S107 WeakPolarHBondContact O-CB 3.35Å; R103-S107 PolarHBondContact O-N 2.97Å; R103-L112 HydrophobicContact CG-CD1 4.06Å; R103-C115 HydrophobicContact CB-CB 4.46Å; R103-C115 HydrophobicContact CG-CB 4.19Å
104I95.8Very high95.1Very high96 Ų9661.6 Ų61.649%0.49232%0.322SS..Hα-helixtrans-59.2-43177.1-68.4165.3000111E100E100-I104 HydrophobicContact CG-CD1 4.01Å; E100-I104 HydrophobicContact CG-CG1 4.38Å; E100-I104 WeakPolarHBondContact O-CB 3.27Å; E100-I104 VanDerWaalsContact O-CG1 3.27Å; E100-I104 WeakPolarHBondContact O-CG1 3.4Å; E100-I104 PolarHBondContact O-N 3.35Å
105L95.1Very high95.3Very high21 Ų2162 Ų6211%0.1133%0.325CS..Hα-helixtrans-61.8-52.1179.2173.761.2000112.1M97 E101 M102 R103 K108 L147 M150 L152M97-L105 HydrophobicContact CE-CD2 4.09Å; E101-L105 WeakPolarHBondContact O-CB 3.49Å; E101-L105 PolarHBondContact O-N 2.92Å; M102-L105 PolarHBondContact O-N 3.3Å; R103-L105 VanDerWaalsContact C-N 3.34Å; R103-L105 PolarHBondContact O-N 2.88Å; L105-K108 WeakPolarHBondContact O-CB 3.1Å; L105-K108 PolarHBondContact O-N 3.12Å; L105-L147 HydrophobicContact CD1-CD2 4.1Å; L105-L147 HydrophobicContact CG-CD1 4.41Å; L105-M150 HydrophobicContact CD1-CE 3.69Å; L105-M150 HydrophobicContact CD1-SD 4.27Å; L105-M150 HydrophobicContact CD2-CE 3.58Å; L105-M150 HydrophobicContact CG-CE 4.23Å; L105-L152 HydrophobicContact CD2-CD1 4.15Å
106F96.3Very high95.5Very high0 Ų063.7 Ų63.70%033%0.331CS..Hα-helixtrans-77.3-28.3-175.2-80.7-99.8000112.7L88 V90 M102 R103 K108 I109 L112 V132 Y134 A143 L147 V159L88-F106 HydrophobicContact CD1-CE1 4.4Å; V90-F106 HydrophobicContact CB-CZ 4.25Å; V90-F106 HydrophobicContact CG1-CE2 4.06Å; V90-F106 HydrophobicContact CG1-CZ 3.8Å; V90-F106 HydrophobicContact CG2-CE1 3.8Å; V90-F106 HydrophobicContact CG2-CE2 3.92Å; V90-F106 HydrophobicContact CG2-CZ 3.36Å; M102-F106 HydrophobicContact CG-CD2 4.12Å; M102-F106 HydrophobicContact CG-CE2 4.32Å; M102-F106 WeakPolarHBondContact O-CD2 3.19Å; M102-F106 PolarHBondContact O-N 3.37Å; M102-F106 VanDerWaalsContact O-N 3.1Å; R103-F106 PolarHBondContact O-N 3.04Å; F106-K108 PolarHBondContact O-N 3.02Å; F106-K108 VanDerWaalsContact O-N 3.12Å; F106-I109 PolarHBondContact O-N 2.78Å; F106-I109 VanDerWaalsContact O-N 3.14Å; F106-L112 HydrophobicContact CB-CD1 4.08Å; F106-L112 HydrophobicContact CB-CD2 4.17Å; F106-V132 HydrophobicContact CB-CG1 3.89Å; F106-V132 HydrophobicContact CB-CG2 4.46Å; F106-V132 HydrophobicContact CD1-CB 4.29Å; F106-V132 HydrophobicContact CD1-CG1 3.96Å; F106-V132 HydrophobicContact CD1-CG2 4.16Å; F106-V132 HydrophobicContact CD2-CG2 4.25Å; F106-V132 HydrophobicContact CG-CB 4.5Å; F106-V132 HydrophobicContact CG-CG1 4.05Å; F106-V132 HydrophobicContact CG-CG2 4.02Å; F106-Y134 WeakPolarHBondContact CB-OH 3.38Å; F106-Y134 HydrophobicContact CD1-CE2 4.3Å; F106-Y134 WeakPolarHBondContact CD1-OH 3.32Å; F106-Y134 PolarHBondContact O-OH 3.21Å; F106-A143 HydrophobicContact CD1-CB 4.41Å; F106-L147 HydrophobicContact CD1-CD1 3.69Å; F106-L147 HydrophobicContact CD2-CD1 4.22Å; F106-L147 HydrophobicContact CE1-CD1 3.68Å; F106-L147 HydrophobicContact CE2-CD1 4.23Å; F106-L147 HydrophobicContact CG-CD1 3.96Å; F106-L147 HydrophobicContact CZ-CB 4.46Å; F106-L147 HydrophobicContact CZ-CD1 3.95Å; F106-V159 HydrophobicContact CE1-CG1 3.99Å; F106-V159 HydrophobicContact CE1-CG2 4.22Å; F106-V159 HydrophobicContact CZ-CG1 4.39Å; F106-V159 HydrophobicContact CZ-CG2 3.84Å
107S96.3Very high95.6Very high61 Ų6159.4 Ų59.443%0.42730%0.304SS..THydrogen-bonded Turntrans-66.2-9.2175-167.70000114.1R103 I109R103-S107 WeakPolarHBondContact O-CB 3.35Å; R103-S107 PolarHBondContact O-N 2.97Å; S107-I109 VanDerWaalsContact C-N 3.27Å
108K94.9Very high95.7Very high160 Ų16060.3 Ų60.370%0.69631%0.309SS*.THydrogen-bonded Turntrans-70.5-21.3171.5-67.6176.3-176.5-175.60113.6L105 F106L105-K108 WeakPolarHBondContact O-CB 3.1Å; L105-K108 PolarHBondContact O-N 3.12Å; F106-K108 PolarHBondContact O-N 3.02Å; F106-K108 VanDerWaalsContact O-N 3.12Å
109I95.7Very high95.7Very high35 Ų3563.4 Ų63.418%0.17932%0.315CS..THydrogen-bonded Turntrans-95.4-27.2-176.5-54-61.6000112F106 S107 Y134 R142 A143 A146 L147F106-I109 PolarHBondContact O-N 2.78Å; F106-I109 VanDerWaalsContact O-N 3.14Å; S107-I109 VanDerWaalsContact C-N 3.27Å; I109-Y134 HydrophobicContact CB-CE1 4.43Å; I109-R142 HydrophobicContact CG2-CB 3.57Å; I109-R142 PolarHBondContact O-NH2 3.1Å; I109-A143 HydrophobicContact CB-CB 4.25Å; I109-A143 HydrophobicContact CG1-CB 4.23Å; I109-A143 HydrophobicContact CG2-CB 3.98Å; I109-A146 HydrophobicContact CD1-CB 3.87Å; I109-L147 HydrophobicContact CD1-CG 4.49Å; I109-L147 HydrophobicContact CG1-CD1 3.94Å; I109-L147 HydrophobicContact CG1-CG 4.26Å
110G94.5Very high95.5Very high14 Ų1461.8 Ų61.814%0.14431%0.308CS..SBendtrans174173.3-164.500000114D139G110-D139 WeakPolarHBondContact CA-OD2 3.47Å
111K96.1Very high95.2Very high150 Ų15067 Ų6765%0.65233%0.329SS*.  trans-79124.6-177.7-172.3177.3174-173.50111Y134 V135 D139K111-Y134 WeakPolarHBondContact O-CA 3.1Å; K111-V135 HydrophobicContact CB-CB 4.47Å; K111-V135 HydrophobicContact CB-CG2 4.14Å; K111-V135 HydrophobicContact CD-CG2 3.97Å; K111-V135 HydrophobicContact CG-CG2 3.84Å; K111-V135 PolarHBondContact O-N 3.43Å; K111-D139 PolarHBondContact N-OD2 3.47Å
112L96.4Very high94.9Very high14 Ų1470.1 Ų70.17%0.07335%0.349CS..EExtended strand (participates in β ladder)trans-87.8121.8178.7-53.4-172.1000111.2R103 F106 C115 V132 N133 Y134R103-L112 HydrophobicContact CG-CD1 4.06Å; F106-L112 HydrophobicContact CB-CD1 4.08Å; F106-L112 HydrophobicContact CB-CD2 4.17Å; L112-C115 HydrophobicContact CD1-CB 4.18Å; L112-V132 HydrophobicContact CD1-CG1 4.24Å; L112-V132 HydrophobicContact CD2-CG1 3.62Å; L112-N133 CarbonylContact C-O 3.41Å; L112-Y134 HydrophobicContact CD2-CD1 3.69Å; L112-Y134 HydrophobicContact CD2-CD2 4.31Å; L112-Y134 HydrophobicContact CD2-CE1 3.34Å; L112-Y134 HydrophobicContact CD2-CE2 4.01Å; L112-Y134 HydrophobicContact CD2-CG 4.16Å
113A95.4Very high94.8Very high59 Ų5973.4 Ų73.449%0.48837%0.369SS..EExtended strand (participates in β ladder)trans-75.2-39167.700000111.2N133 V135A113-N133 PolarHBondContact N-O 2.84Å; A113-V135 HydrophobicContact CB-CG2 4.06Å
114S95Very high94.5Very high64 Ų6470.7 Ų70.745%0.44837%0.37SS..EExtended strand (participates in β ladder)trans-151.1151.5175.6-1700000112.2N133S114-N133 PolarHBondContact N-O 2.87Å; S114-N133 PolarHBondContact O-N 2.97Å
115C96.1Very high94.3Very high12 Ų1271.1 Ų71.18%0.08137%0.37CS..EExtended strand (participates in β ladder)trans-148.5115.8178.1-173.50000108.6Q99 M102 R103 L112Q99-C115 PolarHBondContact NE2-O 3.27Å; M102-C115 WeakPolarHBondContact CE-SG 3.17Å; R103-C115 HydrophobicContact CB-CB 4.46Å; R103-C115 HydrophobicContact CG-CB 4.19Å; L112-C115 HydrophobicContact CD1-CB 4.18Å
116K96Very high94.1Very high126 Ų12670.1 Ų70.155%0.54837%0.365SS..EExtended strand (participates in β ladder)trans-137.2111.1-172.3-170.4176.8-176.6172.90111.4I118 G130 F131K116-I118 HydrophobicContact CD-CD1 4.29Å; K116-I118 HydrophobicContact CG-CD1 4.15Å; K116-G130 CarbonylContact O-C 3.58Å; K116-G130 VanDerWaalsContact O-CA 3.26Å; K116-G130 WeakPolarHBondContact O-CA 3.5Å; K116-F131 PolarHBondContact N-O 3.35Å; K116-F131 PolarHBondContact O-N 3.21Å
117L96.5Very high93.9Very high9 Ų973.5 Ų73.55%0.04738%0.383CS..EExtended strand (participates in β ladder)trans-82.1129.3173.4179.368000109.1L93 M97 Q99 M102L93-L117 HydrophobicContact CD1-CD1 3.59Å; M97-L117 WeakPolarHBondContact O-CD2 3.35Å; Q99-L117 HydrophobicContact CB-CB 3.92Å; Q99-L117 HydrophobicContact CG-CB 4.14Å; M102-L117 HydrophobicContact CE-CB 4.21Å; M102-L117 HydrophobicContact SD-CD1 4.32Å
118I94.8Very high93.8Very high31 Ų3171 Ų7116%0.15937%0.366CS..EExtended strand (participates in β ladder)trans-86.5127-179.3-51.6-54.9000110.4K116 L127 Y129 F131K116-I118 HydrophobicContact CD-CD1 4.29Å; K116-I118 HydrophobicContact CG-CD1 4.15Å; I118-L127 HydrophobicContact CG2-CD1 3.82Å; I118-L127 HydrophobicContact CG2-CG 4.36Å; I118-L127 PolarHBondContact O-N 3.08Å; I118-Y129 HydrophobicContact CB-CD2 4.31Å; I118-Y129 HydrophobicContact CB-CE1 4.23Å; I118-Y129 HydrophobicContact CB-CE2 3.95Å; I118-Y129 HydrophobicContact CG1-CD2 3.99Å; I118-Y129 HydrophobicContact CG1-CE2 3.6Å; I118-Y129 HydrophobicContact CG2-CE1 4.24Å; I118-Y129 HydrophobicContact CG2-CE2 4.3Å; I118-Y129 PolarHBondContact N-O 2.8Å; I118-F131 HydrophobicContact CD1-CD2 4.01Å; I118-F131 HydrophobicContact CD1-CE2 4.21Å; I118-F131 HydrophobicContact CG1-CD2 4.02Å; I118-F131 HydrophobicContact CG1-CE2 4.01Å
119R94.5Very high93.8Very high104 Ų10466.9 Ų66.939%0.39235%0.347SS..EExtended strand (participates in β ladder)trans-121150.7178.3-70.3172.9175.7-82.4-8.8109.9M97 G124 Q125M97-R119 PolarHBondContact O-NH2 2.86Å; R119-G124 WeakPolarHBondContact CD-O 3.18Å; R119-G124 PolarHBondContact NH1-O 2.88Å; R119-Q125 CarbonylContact C-O 3.55Å; R119-Q125 WeakPolarHBondContact CA-O 3.36Å; R119-Q125 WeakPolarHBondContact CB-O 3.44Å
120D91.9Very high93.8Very high50 Ų5065.2 Ų65.227%0.26734%0.338SS..  trans-61.1133168.2170.431.3000110L122 T123 G124 Q125 L127D120-L122 PolarHBondContact O-N 2.89Å; D120-L122 PolarHBondContact OD1-N 2.77Å; D120-T123 VanDerWaalsContact OD2-CB 3.29Å; D120-T123 WeakPolarHBondContact OD2-CB 3.29Å; D120-T123 WeakPolarHBondContact OD2-CG2 3.47Å; D120-T123 PolarHBondContact OD2-N 3.11Å; D120-T123 PolarHBondContact OD2-OG1 3.48Å; D120-G124 WeakPolarHBondContact O-CA 3.5Å; D120-G124 PolarHBondContact O-N 3.03Å; D120-Q125 PolarHBondContact N-O 2.88Å; D120-L127 HydrophobicContact CB-CD2 3.98Å
121K90.2Very high93.9Very high210 Ų21067.3 Ų67.391%0.91334%0.343SS*.THydrogen-bonded Turntrans-65.1-27.5178.4-67.1-173.7178.1-176.50112.7
122L89.9Confident94Very high161 Ų16160.1 Ų60.184%0.84331%0.312SS*.THydrogen-bonded Turntrans-92.4-37.9-173.7-60.9178.9000113.4D120D120-L122 PolarHBondContact O-N 2.89Å; D120-L122 PolarHBondContact OD1-N 2.77Å
123T92.6Very high94Very high69 Ų6961.7 Ų61.742%0.42332%0.321SS..THydrogen-bonded Turntrans-109.2-8.9-176.6630000114.6D120 Q125D120-T123 VanDerWaalsContact OD2-CB 3.29Å; D120-T123 WeakPolarHBondContact OD2-CB 3.29Å; D120-T123 WeakPolarHBondContact OD2-CG2 3.47Å; D120-T123 PolarHBondContact OD2-N 3.11Å; D120-T123 PolarHBondContact OD2-OG1 3.48Å; T123-Q125 PolarHBondContact O-N 2.86Å; T123-Q125 VanDerWaalsContact O-N 3.08Å; T123-Q125 WeakPolarHBondContact OG1-CB 3.33Å; T123-Q125 WeakPolarHBondContact OG1-CG 3.03Å; T123-Q125 PolarHBondContact OG1-N 3.06Å
124G90.4Very high94Very high38 Ų3859 Ų5939%0.39230%0.298SS..  trans67.6-0-174.100000114.7R119 D120R119-G124 WeakPolarHBondContact CD-O 3.18Å; R119-G124 PolarHBondContact NH1-O 2.88Å; D120-G124 WeakPolarHBondContact O-CA 3.5Å; D120-G124 PolarHBondContact O-N 3.03Å
125Q91Very high94Very high105 Ų10559.3 Ų59.349%0.49130%0.297SS..  trans-70.6143-177.8-66.5-62.5-16.900111.5R119 D120 T123 L127R119-Q125 CarbonylContact C-O 3.55Å; R119-Q125 WeakPolarHBondContact CA-O 3.36Å; R119-Q125 WeakPolarHBondContact CB-O 3.44Å; D120-Q125 PolarHBondContact N-O 2.88Å; T123-Q125 PolarHBondContact O-N 2.86Å; T123-Q125 VanDerWaalsContact O-N 3.08Å; T123-Q125 WeakPolarHBondContact OG1-CB 3.33Å; T123-Q125 WeakPolarHBondContact OG1-CG 3.03Å; T123-Q125 PolarHBondContact OG1-N 3.06Å; Q125-L127 PolarHBondContact O-N 3.04Å
126S92.9Very high94Very high1 Ų162.5 Ų62.51%0.00731%0.313CS..EExtended strand (participates in β ladder)trans-64.5128.5176.2176.70000110.6Q95 G128Q95-S126 WeakPolarHBondContact O-CB 3.2Å; S126-G128 PolarHBondContact O-N 3.42Å; S126-G128 PolarHBondContact OG-N 3.44Å
127L91.7Very high93.9Very high71 Ų7158 Ų5837%0.37230%0.3SS..EExtended strand (participates in β ladder)trans-74.91.5171.9-61.2-170.1000112.3I118 D120 Q125 Y129I118-L127 HydrophobicContact CG2-CD1 3.82Å; I118-L127 HydrophobicContact CG2-CG 4.36Å; I118-L127 PolarHBondContact O-N 3.08Å; D120-L127 HydrophobicContact CB-CD2 3.98Å; Q125-L127 PolarHBondContact O-N 3.04Å; L127-Y129 VanDerWaalsContact C-N 3.29Å; L127-Y129 HydrophobicContact CB-CD1 3.71Å; L127-Y129 HydrophobicContact CB-CE1 3.56Å; L127-Y129 HydrophobicContact CD1-CE1 3.8Å; L127-Y129 HydrophobicContact CG-CE1 4.33Å; L127-Y129 PolarHBondContact O-N 2.99Å
128G93Very high93.8Very high7 Ų761.4 Ų61.47%0.07232%0.324CS..EExtended strand (participates in β ladder)trans73.818.3179.300000114.1Y92 L93 S126Y92-G128 PolarHBondContact N-O 2.6Å; L93-G128 PolarHBondContact N-O 3.5Å; L93-G128 WeakPolarHBondContact O-CA 3.25Å; S126-G128 PolarHBondContact O-N 3.42Å; S126-G128 PolarHBondContact OG-N 3.44Å
129Y95.1Very high93.9Very high75 Ų7560.7 Ų60.729%0.29432%0.321SS..EExtended strand (participates in β ladder)trans-143.7157.9170.875.8-83.3000112.2I89 V90 I118 L127 F131I89-Y129 HydrophobicContact CD1-CD2 4.38Å; V90-Y129 CarbonylContact O-C 3.57Å; V90-Y129 WeakPolarHBondContact O-CA 3.31Å; V90-Y129 VanDerWaalsContact O-CB 3.3Å; V90-Y129 WeakPolarHBondContact O-CB 3.44Å; I118-Y129 HydrophobicContact CB-CD2 4.31Å; I118-Y129 HydrophobicContact CB-CE1 4.23Å; I118-Y129 HydrophobicContact CB-CE2 3.95Å; I118-Y129 HydrophobicContact CG1-CD2 3.99Å; I118-Y129 HydrophobicContact CG1-CE2 3.6Å; I118-Y129 HydrophobicContact CG2-CE1 4.24Å; I118-Y129 HydrophobicContact CG2-CE2 4.3Å; I118-Y129 PolarHBondContact N-O 2.8Å; L127-Y129 VanDerWaalsContact C-N 3.29Å; L127-Y129 HydrophobicContact CB-CD1 3.71Å; L127-Y129 HydrophobicContact CB-CE1 3.56Å; L127-Y129 HydrophobicContact CD1-CE1 3.8Å; L127-Y129 HydrophobicContact CG-CE1 4.33Å; L127-Y129 PolarHBondContact O-N 2.99Å; Y129-F131 HydrophobicContact CD2-CE2 4.29Å; Y129-F131 AromaticContact CE2-CE2 3.91Å; Y129-F131 HydrophobicContact CE2-CE2 3.91Å; Y129-F131 HydrophobicContact CE2-CZ 4.34Å
130G96.5Very high93.9Very high0 Ų055.8 Ų55.80%030%0.302CS..EExtended strand (participates in β ladder)trans-151.2170179.600000112.2V90 K116V90-G130 PolarHBondContact N-O 3.37Å; V90-G130 PolarHBondContact O-N 2.84Å; K116-G130 CarbonylContact O-C 3.58Å; K116-G130 VanDerWaalsContact O-CA 3.26Å; K116-G130 WeakPolarHBondContact O-CA 3.5Å
131F96.9Very high94.1Very high57 Ų5758.2 Ų58.225%0.2531%0.312CS..EExtended strand (participates in β ladder)trans-116.8142.3174-64.2-87.7000110.6L88 I89 K116 I118 Y129 A162L88-F131 CarbonylContact O-C 3.53Å; L88-F131 VanDerWaalsContact O-CA 3.28Å; L88-F131 WeakPolarHBondContact O-CA 3.42Å; I89-F131 HydrophobicContact CB-CD1 4.09Å; I89-F131 HydrophobicContact CB-CE1 3.95Å; I89-F131 HydrophobicContact CD1-CE1 3.91Å; I89-F131 HydrophobicContact CD1-CZ 4.02Å; I89-F131 HydrophobicContact CG1-CD1 4.19Å; I89-F131 HydrophobicContact CG1-CE1 3.83Å; I89-F131 HydrophobicContact CG1-CZ 4.25Å; K116-F131 PolarHBondContact N-O 3.35Å; K116-F131 PolarHBondContact O-N 3.21Å; I118-F131 HydrophobicContact CD1-CD2 4.01Å; I118-F131 HydrophobicContact CD1-CE2 4.21Å; I118-F131 HydrophobicContact CG1-CD2 4.02Å; I118-F131 HydrophobicContact CG1-CE2 4.01Å; Y129-F131 HydrophobicContact CD2-CE2 4.29Å; Y129-F131 AromaticContact CE2-CE2 3.91Å; Y129-F131 HydrophobicContact CE2-CE2 3.91Å; Y129-F131 HydrophobicContact CE2-CZ 4.34Å; F131-A162 HydrophobicContact CD1-CB 4.09Å; F131-A162 HydrophobicContact CE1-CB 4.2Å
132V96.9Very high94.4Very high0 Ų053.4 Ų53.40%029%0.288CS..EExtended strand (participates in β ladder)trans-136.1112.3-179.9179.70000107.9L88 V90 M102 F106 L112 Y134L88-V132 HydrophobicContact CB-CB 4.48Å; L88-V132 WeakPolarHBondContact CB-O 3.33Å; L88-V132 PolarHBondContact N-O 3.46Å; L88-V132 PolarHBondContact O-N 2.84Å; V90-V132 HydrophobicContact CG2-CG2 3.95Å; M102-V132 HydrophobicContact CE-CG2 4.07Å; M102-V132 HydrophobicContact CG-CG2 4.41Å; M102-V132 HydrophobicContact SD-CG2 4.41Å; F106-V132 HydrophobicContact CB-CG1 3.89Å; F106-V132 HydrophobicContact CB-CG2 4.46Å; F106-V132 HydrophobicContact CD1-CB 4.29Å; F106-V132 HydrophobicContact CD1-CG1 3.96Å; F106-V132 HydrophobicContact CD1-CG2 4.16Å; F106-V132 HydrophobicContact CD2-CG2 4.25Å; F106-V132 HydrophobicContact CG-CB 4.5Å; F106-V132 HydrophobicContact CG-CG1 4.05Å; F106-V132 HydrophobicContact CG-CG2 4.02Å; L112-V132 HydrophobicContact CD1-CG1 4.24Å; L112-V132 HydrophobicContact CD2-CG1 3.62Å; V132-Y134 HydrophobicContact CG1-CD2 4.29Å; V132-Y134 HydrophobicContact CG1-CE2 3.84Å
133N96.1Very high94.7Very high47 Ų4745.8 Ų45.825%0.25125%0.248SC..EExtended strand (participates in β ladder)trans-101.6121.5174.9-164.624.9000109.2T86 N87 L112 A113 S114T86-N133 WeakPolarHBondContact CB-OD1 3.46Å; T86-N133 PolarHBondContact O-OD1 3.43Å; T86-N133 PolarHBondContact OG1-OD1 2.79Å; N87-N133 WeakPolarHBondContact CA-OD1 3.44Å; N87-N133 PolarHBondContact N-OD1 3.07Å; L112-N133 CarbonylContact C-O 3.41Å; A113-N133 PolarHBondContact N-O 2.84Å; S114-N133 PolarHBondContact N-O 2.87Å; S114-N133 PolarHBondContact O-N 2.97Å
134Y96.9Very high94.9Very high2 Ų244.4 Ų44.41%0.00824%0.238CC..EExtended strand (participates in β ladder)trans-79.2166.1171-77.2-91.3000111.1T86 L88 F106 I109 K111 L112 V132 D136 D139 A140 A143T86-Y134 WeakPolarHBondContact CB-O 3.46Å; T86-Y134 PolarHBondContact O-N 3.02Å; L88-Y134 HydrophobicContact CD1-CD2 4.2Å; L88-Y134 HydrophobicContact CD1-CE2 3.77Å; L88-Y134 HydrophobicContact CG-CD2 4.5Å; L88-Y134 HydrophobicContact CG-CE2 4.49Å; F106-Y134 WeakPolarHBondContact CB-OH 3.38Å; F106-Y134 HydrophobicContact CD1-CE2 4.3Å; F106-Y134 WeakPolarHBondContact CD1-OH 3.32Å; F106-Y134 PolarHBondContact O-OH 3.21Å; I109-Y134 HydrophobicContact CB-CE1 4.43Å; K111-Y134 WeakPolarHBondContact O-CA 3.1Å; L112-Y134 HydrophobicContact CD2-CD1 3.69Å; L112-Y134 HydrophobicContact CD2-CD2 4.31Å; L112-Y134 HydrophobicContact CD2-CE1 3.34Å; L112-Y134 HydrophobicContact CD2-CE2 4.01Å; L112-Y134 HydrophobicContact CD2-CG 4.16Å; V132-Y134 HydrophobicContact CG1-CD2 4.29Å; V132-Y134 HydrophobicContact CG1-CE2 3.84Å; Y134-D136 WeakPolarHBondContact CB-O 3.23Å; Y134-D139 HydrophobicContact CD1-CB 3.44Å; Y134-D139 VanDerWaalsContact CD1-CB 3.44Å; Y134-D139 HydrophobicContact CE1-CB 4.02Å; Y134-D139 HydrophobicContact CG-CB 3.97Å; Y134-A140 HydrophobicContact CD2-CB 3.76Å; Y134-A140 HydrophobicContact CG-CB 4.22Å; Y134-A143 HydrophobicContact CE2-CB 3.67Å; Y134-A143 VanDerWaalsContact OH-CB 3.31Å; Y134-A143 WeakPolarHBondContact OH-CB 3.35Å
135V95Very high95.1Very high71 Ų7151 Ų5143%0.4325%0.251SS..SBendtrans-74.6-41.8164.2177.10000109.9K111 A113K111-V135 HydrophobicContact CB-CB 4.47Å; K111-V135 HydrophobicContact CB-CG2 4.14Å; K111-V135 HydrophobicContact CD-CG2 3.97Å; K111-V135 HydrophobicContact CG-CG2 3.84Å; K111-V135 PolarHBondContact O-N 3.43Å; A113-V135 HydrophobicContact CB-CG2 4.06Å
136D94.4Very high95.3Very high79 Ų7948.9 Ų48.942%0.42225%0.251SS..SBendtrans-111.4134.2-173-58.6-82.4000112Y134 S138 D139 A140Y134-D136 WeakPolarHBondContact CB-O 3.23Å; D136-S138 VanDerWaalsContact C-N 3.26Å; D136-S138 PolarHBondContact O-N 3.41Å; D136-D139 HydrophobicContact CB-CB 4.28Å; D136-D139 WeakPolarHBondContact O-CB 3.42Å; D136-D139 PolarHBondContact O-N 3.24Å; D136-D139 VanDerWaalsContact O-N 3.08Å; D136-A140 PolarHBondContact O-N 3.43Å
137A94Very high95.4Very high32 Ų3249.5 Ų49.526%0.26425%0.254SS..Hα-helixtrans-64.8-32.6-179.500000112.2R85 T86 D139 A140 E141R85-A137 HydrophobicContact CB-CB 3.92Å; T86-A137 HydrophobicContact CG2-CB 4.1Å; A137-D139 VanDerWaalsContact C-N 3.29Å; A137-D139 PolarHBondContact O-N 3.17Å; A137-A140 PolarHBondContact O-N 3.4Å; A137-E141 PolarHBondContact O-N 2.78Å
138S95.2Very high95.5Very high79 Ų7948.8 Ų48.855%0.55225%0.251SS*.Hα-helixtrans-59.3-38.9172.5-54.60000112.2D136 E141 R142D136-S138 VanDerWaalsContact C-N 3.26Å; D136-S138 PolarHBondContact O-N 3.41Å; S138-E141 PolarHBondContact O-N 2.87Å; S138-R142 WeakPolarHBondContact O-CG 3.4Å; S138-R142 PolarHBondContact O-N 2.99Å
139D96.3Very high95.6Very high17 Ų1756.4 Ų56.49%0.09128%0.282CS..Hα-helixtrans-71.1-38.2-179.8-71.112.4000111G110 K111 Y134 D136 A137 R142 A143G110-D139 WeakPolarHBondContact CA-OD2 3.47Å; K111-D139 PolarHBondContact N-OD2 3.47Å; Y134-D139 HydrophobicContact CD1-CB 3.44Å; Y134-D139 VanDerWaalsContact CD1-CB 3.44Å; Y134-D139 HydrophobicContact CE1-CB 4.02Å; Y134-D139 HydrophobicContact CG-CB 3.97Å; D136-D139 HydrophobicContact CB-CB 4.28Å; D136-D139 WeakPolarHBondContact O-CB 3.42Å; D136-D139 PolarHBondContact O-N 3.24Å; D136-D139 VanDerWaalsContact O-N 3.08Å; A137-D139 VanDerWaalsContact C-N 3.29Å; A137-D139 PolarHBondContact O-N 3.17Å; D139-R142 PolarHBondContact O-N 3.1Å; D139-R142 IonicContact OD1-CZ 2.81Å; D139-R142 IonicContact OD1-NH1 3.06Å; D139-R142 PolarHBondContact OD1-NH1 3Å; D139-R142 IonicContact OD1-NH2 2.75Å; D139-R142 PolarHBondContact OD1-NH2 2.94Å; D139-R142 IonicContact OD2-NH2 3.63Å; D139-A143 WeakPolarHBondContact O-CB 3.48Å; D139-A143 PolarHBondContact O-N 3.42Å
140A96.1Very high95.5Very high0 Ų055.4 Ų55.40%028%0.281CS..Hα-helixtrans-62.8-42173.400000112.2R85 L88 Y134 D136 A137 A143 I144R85-A140 VanDerWaalsContact O-CB 3.31Å; R85-A140 WeakPolarHBondContact O-CB 3.32Å; L88-A140 HydrophobicContact CD1-CB 4.4Å; L88-A140 HydrophobicContact CD2-CB 4.02Å; L88-A140 HydrophobicContact CG-CB 4.17Å; Y134-A140 HydrophobicContact CD2-CB 3.76Å; Y134-A140 HydrophobicContact CG-CB 4.22Å; D136-A140 PolarHBondContact O-N 3.43Å; A137-A140 PolarHBondContact O-N 3.4Å; A140-A143 PolarHBondContact O-N 3.22Å; A140-I144 WeakPolarHBondContact O-CG1 3.42Å; A140-I144 PolarHBondContact O-N 3.21Å
141E95.3Very high95.4Very high102 Ų10264 Ų6448%0.47731%0.313SS..Hα-helixtrans-68.6-40.7175.5-161-145.3-148.800112.2A137 S138 A143 I144 R145A137-E141 PolarHBondContact O-N 2.78Å; S138-E141 PolarHBondContact O-N 2.87Å; E141-A143 PolarHBondContact O-N 3.47Å; E141-I144 PolarHBondContact O-N 3.35Å; E141-R145 WeakPolarHBondContact O-CG 3.32Å; E141-R145 PolarHBondContact O-N 2.84Å; E141-R145 IonicContact OE2-CZ 2.66Å; E141-R145 VanDerWaalsContact OE2-CZ 3.3Å; E141-R145 IonicContact OE2-NE 2.69Å; E141-R145 PolarHBondContact OE2-NE 2.57Å; E141-R145 IonicContact OE2-NH2 2.7Å; E141-R145 PolarHBondContact OE2-NH2 2.8Å
142R96.2Very high95.1Very high109 Ų10963 Ų6341%0.41131%0.311SS..Hα-helixtrans-57.4-39.4169.9-71.2-161.6-49.1-101.55111.1I109 S138 D139 R145 A146I109-R142 HydrophobicContact CG2-CB 3.57Å; I109-R142 PolarHBondContact O-NH2 3.1Å; S138-R142 WeakPolarHBondContact O-CG 3.4Å; S138-R142 PolarHBondContact O-N 2.99Å; D139-R142 PolarHBondContact O-N 3.1Å; D139-R142 IonicContact OD1-CZ 2.81Å; D139-R142 IonicContact OD1-NH1 3.06Å; D139-R142 PolarHBondContact OD1-NH1 3Å; D139-R142 IonicContact OD1-NH2 2.75Å; D139-R142 PolarHBondContact OD1-NH2 2.94Å; D139-R142 IonicContact OD2-NH2 3.63Å; R142-R145 PolarHBondContact O-N 2.93Å; R142-A146 VanDerWaalsContact O-CB 3.27Å; R142-A146 WeakPolarHBondContact O-CB 3.34Å; R142-A146 PolarHBondContact O-N 3.2Å
143A96.6Very high94.7Very high0 Ų068.7 Ų68.70%034%0.337CS..Hα-helixtrans-70.9-37.1-179.300000112.5L88 F106 I109 Y134 D139 A140 E141 L147L88-A143 HydrophobicContact CD1-CB 3.85Å; F106-A143 HydrophobicContact CD1-CB 4.41Å; I109-A143 HydrophobicContact CB-CB 4.25Å; I109-A143 HydrophobicContact CG1-CB 4.23Å; I109-A143 HydrophobicContact CG2-CB 3.98Å; Y134-A143 HydrophobicContact CE2-CB 3.67Å; Y134-A143 VanDerWaalsContact OH-CB 3.31Å; Y134-A143 WeakPolarHBondContact OH-CB 3.35Å; D139-A143 WeakPolarHBondContact O-CB 3.48Å; D139-A143 PolarHBondContact O-N 3.42Å; A140-A143 PolarHBondContact O-N 3.22Å; E141-A143 PolarHBondContact O-N 3.47Å; A143-L147 VanDerWaalsContact O-CB 3.31Å; A143-L147 WeakPolarHBondContact O-CB 3.32Å; A143-L147 PolarHBondContact O-N 3.01Å
144I96.1Very high94.4Very high40 Ų4072.4 Ų72.421%0.20536%0.357CS..Hα-helixtrans-59.7-49.2167.8-65.8166.6000109.8L88 A140 E141 A146 N148 V159 L161L88-I144 HydrophobicContact CD1-CG1 4.27Å; L88-I144 HydrophobicContact CD2-CD1 3.64Å; L88-I144 HydrophobicContact CD2-CG1 3.7Å; A140-I144 WeakPolarHBondContact O-CG1 3.42Å; A140-I144 PolarHBondContact O-N 3.21Å; E141-I144 PolarHBondContact O-N 3.35Å; I144-A146 PolarHBondContact O-N 3.32Å; I144-N148 WeakPolarHBondContact O-CB 3.41Å; I144-N148 PolarHBondContact O-N 3.33Å; I144-V159 HydrophobicContact CG1-CG1 4.12Å; I144-L161 HydrophobicContact CD1-CD2 3.98Å; I144-L161 HydrophobicContact CD1-CG 3.93Å
145R95.7Very high94.1Very high176 Ų17675.5 Ų75.566%0.66437%0.37SS*.Hα-helixtrans-66-33.7-177.2-71.2-170.2-82.1147.9-11.4113.8E141 R142E141-R145 WeakPolarHBondContact O-CG 3.32Å; E141-R145 PolarHBondContact O-N 2.84Å; E141-R145 IonicContact OE2-CZ 2.66Å; E141-R145 VanDerWaalsContact OE2-CZ 3.3Å; E141-R145 IonicContact OE2-NE 2.69Å; E141-R145 PolarHBondContact OE2-NE 2.57Å; E141-R145 IonicContact OE2-NH2 2.7Å; E141-R145 PolarHBondContact OE2-NH2 2.8Å; R142-R145 PolarHBondContact O-N 2.93Å
146A94.9Very high94.1Very high61 Ų6175.7 Ų75.750%0.50437%0.372SS..Hα-helixtrans-95.1-31.5-175.300000115.2I109 R142 I144I109-A146 HydrophobicContact CD1-CB 3.87Å; R142-A146 VanDerWaalsContact O-CB 3.27Å; R142-A146 WeakPolarHBondContact O-CB 3.34Å; R142-A146 PolarHBondContact O-N 3.2Å; I144-A146 PolarHBondContact O-N 3.32Å
147L95Very high94.1Very high14 Ų1472 Ų727%0.07335%0.352CS..Hα-helixtrans-110.3-16.1-172.1-57.3177.7000113.9L105 F106 I109 A143 M150 I157 V159L105-L147 HydrophobicContact CD1-CD2 4.1Å; L105-L147 HydrophobicContact CG-CD1 4.41Å; F106-L147 HydrophobicContact CD1-CD1 3.69Å; F106-L147 HydrophobicContact CD2-CD1 4.22Å; F106-L147 HydrophobicContact CE1-CD1 3.68Å; F106-L147 HydrophobicContact CE2-CD1 4.23Å; F106-L147 HydrophobicContact CG-CD1 3.96Å; F106-L147 HydrophobicContact CZ-CB 4.46Å; F106-L147 HydrophobicContact CZ-CD1 3.95Å; I109-L147 HydrophobicContact CD1-CG 4.49Å; I109-L147 HydrophobicContact CG1-CD1 3.94Å; I109-L147 HydrophobicContact CG1-CG 4.26Å; A143-L147 VanDerWaalsContact O-CB 3.31Å; A143-L147 WeakPolarHBondContact O-CB 3.32Å; A143-L147 PolarHBondContact O-N 3.01Å; L147-M150 HydrophobicContact CD2-CE 4.4Å; L147-M150 HydrophobicContact CD2-SD 4.08Å; L147-M150 VanDerWaalsContact O-CB 3.24Å; L147-M150 WeakPolarHBondContact O-CB 3.43Å; L147-M150 PolarHBondContact O-N 2.7Å; L147-I157 WeakPolarHBondContact O-CD1 3.35Å; L147-I157 WeakPolarHBondContact O-CG1 3.33Å; L147-V159 HydrophobicContact CB-CG2 4.16Å
148N94.2Very high94.1Very high56 Ų5673.8 Ų73.830%0.29935%0.354SS..THydrogen-bonded Turntrans-64.3140.4172.8-169.524.7000110.6I144 M150 K158 V159I144-N148 WeakPolarHBondContact O-CB 3.41Å; I144-N148 PolarHBondContact O-N 3.33Å; N148-M150 PolarHBondContact O-N 3.37Å; N148-K158 WeakPolarHBondContact OD1-CA 3.25Å; N148-V159 HydrophobicContact CB-CB 4.01Å; N148-V159 PolarHBondContact OD1-N 3.44Å; N148-V159 PolarHBondContact OD1-O 2.93Å
149K93.5Very high94.2Very high167 Ų16770 Ų7073%0.72633%0.328SS*.THydrogen-bonded Turntrans62.410.9-172.2-52.1-178.5-179.6179.40115.3T156 I157K149-T156 HydrophobicContact CB-CG2 4.28Å; K149-T156 VanDerWaalsContact O-CG2 3.32Å; K149-T156 WeakPolarHBondContact O-CG2 3.34Å; K149-I157 WeakPolarHBondContact CA-O 3.4Å; K149-I157 PolarHBondContact N-O 3.16Å
150M93.5Very high94.1Very high54 Ų5471 Ų7127%0.26634%0.336SS..  trans-67.8137.9172.1-170.6-173.661.500110.8L105 L147 N148 L152 I157L105-M150 HydrophobicContact CD1-CE 3.69Å; L105-M150 HydrophobicContact CD1-SD 4.27Å; L105-M150 HydrophobicContact CD2-CE 3.58Å; L105-M150 HydrophobicContact CG-CE 4.23Å; L147-M150 HydrophobicContact CD2-CE 4.4Å; L147-M150 HydrophobicContact CD2-SD 4.08Å; L147-M150 VanDerWaalsContact O-CB 3.24Å; L147-M150 WeakPolarHBondContact O-CB 3.43Å; L147-M150 PolarHBondContact O-N 2.7Å; N148-M150 PolarHBondContact O-N 3.37Å; M150-L152 HydrophobicContact CE-CD1 4.17Å; M150-L152 HydrophobicContact CE-CD2 3.64Å; M150-L152 HydrophobicContact CE-CG 3.88Å; M150-I157 HydrophobicContact CB-CD1 4.37Å; M150-I157 HydrophobicContact CB-CG1 4.22Å; M150-I157 HydrophobicContact CE-CD1 3.82Å; M150-I157 PolarHBondContact O-N 3.07Å
151R93.7Very high94Very high180 Ų18075 Ų7568%0.67936%0.356SS*.EExtended strand (participates in β ladder)trans-85.8126.9177.5-175.7-179.6169.8125.4-0.3111.3Q153 K155R151-Q153 PolarHBondContact NE-O 2.85Å; R151-Q153 PolarHBondContact NH2-O 2.77Å; R151-K155 CarbonylContact C-O 3.55Å; R151-K155 WeakPolarHBondContact CA-O 3.4Å
152L91.3Very high93.9Very high38 Ų3870.5 Ų70.520%0.19934%0.337CS..EExtended strand (participates in β ladder)trans-122.3117.8169.7-66.2-177.6000109.5P94 M97 L105 M150 N154 K155 I157P94-L152 HydrophobicContact CG-CB 3.97Å; M97-L152 HydrophobicContact CE-CD1 3.93Å; M97-L152 HydrophobicContact SD-CD1 3.84Å; L105-L152 HydrophobicContact CD2-CD1 4.15Å; M150-L152 HydrophobicContact CE-CD1 4.17Å; M150-L152 HydrophobicContact CE-CD2 3.64Å; M150-L152 HydrophobicContact CE-CG 3.88Å; L152-N154 PolarHBondContact O-N 3.03Å; L152-K155 PolarHBondContact N-O 3.01Å; L152-K155 PolarHBondContact O-N 3.42Å; L152-K155 VanDerWaalsContact O-O 3.06Å; L152-I157 HydrophobicContact CB-CG2 4.42Å; L152-I157 HydrophobicContact CD1-CG2 3.81Å; L152-I157 HydrophobicContact CG-CG2 4.11Å
153Q89Confident93.5Very high119 Ų11967.9 Ų67.956%0.55633%0.327SS*.THydrogen-bonded Turntrans52.8-108.3-175.8-57.2175.7-1.200112.5P94 T96 R151P94-Q153 HydrophobicContact CG-CB 4.41Å; P94-Q153 HydrophobicContact CG-CG 4.29Å; T96-Q153 PolarHBondContact OG1-NE2 3.32Å; R151-Q153 PolarHBondContact NE-O 2.85Å; R151-Q153 PolarHBondContact NH2-O 2.77Å
154N88.5Confident92.9Very high125 Ų12571.3 Ų71.367%0.66835%0.349SS*.THydrogen-bonded Turntrans-106.18.6179.464.4-3.7000113.6L152L152-N154 PolarHBondContact O-N 3.03Å
155K92.2Very high92.2Very high66 Ų6673.7 Ų73.729%0.28737%0.369SS..EExtended strand (participates in β ladder)trans-121.9159.6178.4-59.3-173.4-172.5-177.40111.9Y92 L93 R151 L152Y92-K155 VanDerWaalsContact O-CB 3.23Å; Y92-K155 WeakPolarHBondContact O-CB 3.17Å; Y92-K155 WeakPolarHBondContact O-CD 3.32Å; L93-K155 WeakPolarHBondContact O-CD 3.32Å; L93-K155 PolarHBondContact O-NZ 2.85Å; R151-K155 CarbonylContact C-O 3.55Å; R151-K155 WeakPolarHBondContact CA-O 3.4Å; L152-K155 PolarHBondContact N-O 3.01Å; L152-K155 PolarHBondContact O-N 3.42Å; L152-K155 VanDerWaalsContact O-O 3.06Å
156T94Very high91.3Very high75 Ų7566 Ų6646%0.4634%0.342SS..EExtended strand (participates in β ladder)trans-116.9118.8172.2-59.10000107.5Y92 K149Y92-T156 WeakPolarHBondContact CB-O 3.43Å; K149-T156 HydrophobicContact CB-CG2 4.28Å; K149-T156 VanDerWaalsContact O-CG2 3.32Å; K149-T156 WeakPolarHBondContact O-CG2 3.34Å
157I95.3Very high90.6Very high2 Ų265.4 Ų65.41%0.0133%0.329CS..  trans-77.8141.4-172.872.9176.3000111.2V90 N91 L93 L147 K149 M150 L152 V159V90-I157 HydrophobicContact CG1-CD1 4.34Å; N91-I157 WeakPolarHBondContact O-CA 3.19Å; L93-I157 HydrophobicContact CD2-CG2 4Å; L147-I157 WeakPolarHBondContact O-CD1 3.35Å; L147-I157 WeakPolarHBondContact O-CG1 3.33Å; K149-I157 WeakPolarHBondContact CA-O 3.4Å; K149-I157 PolarHBondContact N-O 3.16Å; M150-I157 HydrophobicContact CB-CD1 4.37Å; M150-I157 HydrophobicContact CB-CG1 4.22Å; M150-I157 HydrophobicContact CE-CD1 3.82Å; M150-I157 PolarHBondContact O-N 3.07Å; L152-I157 HydrophobicContact CB-CG2 4.42Å; L152-I157 HydrophobicContact CD1-CG2 3.81Å; L152-I157 HydrophobicContact CG-CG2 4.11Å; I157-V159 HydrophobicContact CD1-CG2 3.94Å; I157-V159 HydrophobicContact CG1-CG2 4.12Å
158K94.6Very high89.9Confident69 Ų6965.3 Ų65.330%0.333%0.33SS..EExtended strand (participates in β ladder)trans-105116.1169.3178.7174.3177.4174.90108.7N91 Y92 N148 I199 T200N91-K158 HydrophobicContact CB-CB 4.32Å; N91-K158 PolarHBondContact N-O 2.85Å; N91-K158 PolarHBondContact O-N 3.33Å; Y92-K158 HydrophobicContact CD2-CB 3.91Å; Y92-K158 HydrophobicContact CE2-CB 3.87Å; N148-K158 WeakPolarHBondContact OD1-CA 3.25Å; K158-I199 PolarHBondContact NZ-O 2.86Å; K158-T200 HydrophobicContact CD-CG2 4.47Å
159V96.1Very high89.4Confident1 Ų163.8 Ų63.81%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-107.4127.7176-173.90000108L88 V90 F106 I144 L147 N148 I157L88-V159 HydrophobicContact CD1-CG1 3.82Å; V90-V159 HydrophobicContact CG1-CG2 4.28Å; F106-V159 HydrophobicContact CE1-CG1 3.99Å; F106-V159 HydrophobicContact CE1-CG2 4.22Å; F106-V159 HydrophobicContact CZ-CG1 4.39Å; F106-V159 HydrophobicContact CZ-CG2 3.84Å; I144-V159 HydrophobicContact CG1-CG1 4.12Å; L147-V159 HydrophobicContact CB-CG2 4.16Å; N148-V159 HydrophobicContact CB-CB 4.01Å; N148-V159 PolarHBondContact OD1-N 3.44Å; N148-V159 PolarHBondContact OD1-O 2.93Å; I157-V159 HydrophobicContact CD1-CG2 3.94Å; I157-V159 HydrophobicContact CG1-CG2 4.12Å
160S94.5Very high88.9Confident37 Ų3761.6 Ų61.626%0.25931%0.312SS..EExtended strand (participates in β ladder)trans-150.5165.4176.259.50000110.3L88 I89 A162L88-S160 CarbonylContact C-O 3.55Å; L88-S160 WeakPolarHBondContact CA-O 3.13Å; I89-S160 WeakPolarHBondContact CG2-OG 3.46Å; I89-S160 PolarHBondContact N-O 2.78Å; I89-S160 PolarHBondContact O-N 2.89Å; S160-A162 PolarHBondContact O-N 3.28Å
161L94.1Very high88.5Confident83 Ų8361.1 Ų61.144%0.43532%0.321SS..EExtended strand (participates in β ladder)trans-51138.2166.5-66.6176.8000110.2R85 L88 I144R85-L161 WeakPolarHBondContact O-CD2 3.39Å; L88-L161 HydrophobicContact CD2-CD2 3.93Å; I144-L161 HydrophobicContact CD1-CD2 3.98Å; I144-L161 HydrophobicContact CD1-CG 3.93Å
162A92.9Very high88.4Confident8 Ų852.6 Ų52.67%0.06629%0.289CS..PPolyproline II helixtrans-71.3144.2169.100000109N87 I89 F131 S160N87-A162 HydrophobicContact CB-CB 4.12Å; N87-A162 WeakPolarHBondContact O-CB 3.12Å; N87-A162 PolarHBondContact O-N 2.92Å; I89-A162 HydrophobicContact CB-CB 4.33Å; F131-A162 HydrophobicContact CD1-CB 4.09Å; F131-A162 HydrophobicContact CE1-CB 4.2Å; S160-A162 PolarHBondContact O-N 3.28Å
163R87.8Confident88.6Confident54 Ų5452.9 Ų52.920%0.20429%0.291CS..PPolyproline II helixtrans-89.7149.4168.6-63.1-177.3-63.3156.45.8108.9D221R163-D221 WeakPolarHBondContact CD-OD1 3.15Å; R163-D221 IonicContact CZ-OD1 2.55Å; R163-D221 IonicContact NE-OD1 2.94Å; R163-D221 PolarHBondContact NH1-O 3.18Å; R163-D221 IonicContact NH1-OD1 3.23Å; R163-D221 PolarHBondContact NH1-OD1 3.17Å
164P84.1Confident88.9Confident72 Ų7247.2 Ų47.247%0.46827%0.265SS..PPolyproline II helixtrans-54.3146.1167.925-34.4000110.1C166P164-C166 VanDerWaalsContact C-N 3.34Å; P164-C166 PolarHBondContact O-N 2.86Å
165S80.9Confident89.3Confident90 Ų9044.2 Ų44.263%0.62924%0.244SC*.  trans-87.166.9-169.5-66.60000112.7N765S165-N765 PolarHBondContact O-ND2 3.43Å
166C77.4Confident89.4Confident14 Ų1441 Ų4110%0.09523%0.231CC..  trans-84.4155.1174.345.90000114.3P164 S168 I169 N765P164-C166 VanDerWaalsContact C-N 3.34Å; P164-C166 PolarHBondContact O-N 2.86Å; C166-S168 PolarHBondContact O-N 3.05Å; C166-S168 PolarHBondContact SG-OG 3.42Å; C166-I169 WeakPolarHBondContact O-CG1 3.3Å; C166-I169 PolarHBondContact O-N 2.83Å; C166-I169 VanDerWaalsContact SG-CG2 3.56Å; C166-N765 WeakPolarHBondContact CA-OD1 3.5Å; C166-N765 VanDerWaalsContact CB-OD1 3.29Å; C166-N765 WeakPolarHBondContact CB-OD1 3.27Å
167E80.2Confident89.4Confident49 Ų4939 Ų3923%0.22922%0.219CC..G310 helixtrans-66.1-31.7177.1-161.463.5-157.400112.1I169 K170 E768E167-I169 PolarHBondContact O-N 3.05Å; E167-I169 VanDerWaalsContact O-N 3.08Å; E167-K170 WeakPolarHBondContact O-CA 3.37Å; E167-K170 WeakPolarHBondContact O-CB 3.29Å; E167-K170 PolarHBondContact O-N 3.18Å; E167-K170 WeakPolarHBondContact OE1-CD 3.32Å; E167-K170 VanDerWaalsContact OE1-CE 3.28Å; E167-K170 WeakPolarHBondContact OE1-CE 3.46Å; E167-K170 IonicContact OE1-NZ 2.7Å; E167-K170 PolarHBondContact OE1-NZ 3.4Å; E167-K170 WeakPolarHBondContact OE2-CE 3.05Å; E167-K170 IonicContact OE2-NZ 2.76Å; E167-K170 PolarHBondContact OE2-NZ 2.64Å; E167-E768 HydrophobicContact CB-CB 3.73Å; E167-E768 HydrophobicContact CB-CG 3.69Å; E167-E768 VanDerWaalsContact CD-OE1 3.28Å; E167-E768 HydrophobicContact CG-CB 4.35Å; E167-E768 VanDerWaalsContact CG-CD 3.46Å; E167-E768 HydrophobicContact CG-CG 3.74Å; E167-E768 VanDerWaalsContact CG-OE1 3.29Å; E167-E768 WeakPolarHBondContact CG-OE1 3.42Å
168S80.1Confident89.1Confident12 Ų1240.1 Ų40.18%0.08423%0.231CC..G310 helixtrans-59.5-18.1174.7620000113.9C166 Q222 R223C166-S168 PolarHBondContact O-N 3.05Å; C166-S168 PolarHBondContact SG-OG 3.42Å; S168-Q222 CarbonylContact O-C 3.49Å; S168-Q222 WeakPolarHBondContact O-CA 3.4Å; S168-Q222 PolarHBondContact OG-OE1 2.86Å; S168-R223 WeakPolarHBondContact O-CB 3.45Å; S168-R223 PolarHBondContact O-N 3.42Å
169I83.3Confident89Confident25 Ų2537.2 Ų37.213%0.12822%0.218CC..G310 helixtrans-88.8-5.8171.367.2148000114.4C166 E167 R219 D221C166-I169 WeakPolarHBondContact O-CG1 3.3Å; C166-I169 PolarHBondContact O-N 2.83Å; C166-I169 VanDerWaalsContact SG-CG2 3.56Å; E167-I169 PolarHBondContact O-N 3.05Å; E167-I169 VanDerWaalsContact O-N 3.08Å; I169-R219 PolarHBondContact O-NH2 3.01Å; I169-R219 VanDerWaalsContact O-NH2 3.17Å; I169-D221 WeakPolarHBondContact CG2-O 2.96Å
170K83.6Confident88.7Confident120 Ų12038.4 Ų38.452%0.52223%0.226SC..SBendtrans-89158164.2-52.2-159-143136.40109.4E167 A172E167-K170 WeakPolarHBondContact O-CA 3.37Å; E167-K170 WeakPolarHBondContact O-CB 3.29Å; E167-K170 PolarHBondContact O-N 3.18Å; E167-K170 WeakPolarHBondContact OE1-CD 3.32Å; E167-K170 VanDerWaalsContact OE1-CE 3.28Å; E167-K170 WeakPolarHBondContact OE1-CE 3.46Å; E167-K170 IonicContact OE1-NZ 2.7Å; E167-K170 PolarHBondContact OE1-NZ 3.4Å; E167-K170 WeakPolarHBondContact OE2-CE 3.05Å; E167-K170 IonicContact OE2-NZ 2.76Å; E167-K170 PolarHBondContact OE2-NZ 2.64Å; K170-A172 PolarHBondContact O-N 3.05Å
171G84.5Confident88.3Confident45 Ų4543.9 Ų43.946%0.46425%0.245SC..SBendtrans69.3-23.3-175.300000115.8N173 F250G171-N173 PolarHBondContact O-N 2.75Å; G171-F250 WeakPolarHBondContact O-CD1 3.46Å; G171-F250 WeakPolarHBondContact O-CE1 3.33Å
172A92.4Very high88.1Confident1 Ų147.8 Ų47.81%0.00827%0.266CS..  trans-66.327.4-178.300000116.3K170 R219 F220 R223K170-A172 PolarHBondContact O-N 3.05Å; A172-R219 CarbonylContact O-C 3.5Å; A172-R219 WeakPolarHBondContact O-CA 3.33Å; A172-R219 WeakPolarHBondContact O-CG 3.24Å; A172-F220 PolarHBondContact O-N 3.38Å; A172-R223 HydrophobicContact CB-CB 4.49Å
173N94.7Very high87.9Confident44 Ų4448.6 Ų48.624%0.23527%0.269CS..EExtended strand (participates in β ladder)trans-119.7123.6177.7-170.544.9000109.9G171 R219 A251G171-N173 PolarHBondContact O-N 2.75Å; N173-R219 HydrophobicContact CB-CG 4.31Å; N173-A251 HydrophobicContact CB-CB 4.37Å; N173-A251 WeakPolarHBondContact ND2-CB 3.42Å; N173-A251 WeakPolarHBondContact O-CB 3.46Å; N173-A251 PolarHBondContact O-N 2.95Å
174L96.1Very high88.1Confident0 Ų049.1 Ų49.10%028%0.278CS..EExtended strand (participates in β ladder)trans-105.1147.1-178.3-60-176.1000111.6F217 I218 F220 A226 A229 I230 V248 K249 F250L174-F217 VanDerWaalsContact O-CA 3.25Å; L174-F217 WeakPolarHBondContact O-CA 3.33Å; L174-F217 WeakPolarHBondContact O-CD1 3.31Å; L174-I218 PolarHBondContact N-O 3.21Å; L174-I218 PolarHBondContact O-N 3Å; L174-F220 HydrophobicContact CD1-CD2 4.1Å; L174-F220 HydrophobicContact CD1-CE2 3.76Å; L174-F220 HydrophobicContact CG-CD2 4.49Å; L174-A226 HydrophobicContact CD1-CB 4.32Å; L174-A226 HydrophobicContact CD2-CB 3.92Å; L174-A226 HydrophobicContact CG-CB 4.05Å; L174-A229 HydrophobicContact CD1-CB 3.71Å; L174-I230 HydrophobicContact CD1-CG1 4.41Å; L174-I230 HydrophobicContact CD2-CD1 3.6Å; L174-I230 HydrophobicContact CD2-CG1 3.7Å; L174-V248 HydrophobicContact CD1-CG1 3.79Å; L174-K249 CarbonylContact C-O 3.54Å; L174-K249 WeakPolarHBondContact CA-O 3.47Å; L174-F250 HydrophobicContact CD2-CD1 3.98Å; L174-F250 HydrophobicContact CD2-CE1 4.38Å
175Y96.1Very high88.5Confident61 Ų6150 Ų5024%0.23928%0.276CS..EExtended strand (participates in β ladder)trans-107.2127.8165.4174.2-81.5000107.6C177 V215 F217 K249Y175-C177 HydrophobicContact CE1-CB 3.89Å; Y175-C177 PolarHBondContact OH-SG 3.26Å; Y175-C177 VanDerWaalsContact OH-SG 3.35Å; Y175-V215 HydrophobicContact CD2-CG1 4.23Å; Y175-V215 HydrophobicContact CE1-CG1 4.49Å; Y175-V215 HydrophobicContact CE2-CG1 3.48Å; Y175-V215 VanDerWaalsContact CE2-CG1 3.48Å; Y175-F217 AromaticContact CD2-CE1 3.76Å; Y175-F217 HydrophobicContact CD2-CE1 3.76Å; Y175-F217 HydrophobicContact CD2-CE2 4.47Å; Y175-F217 AromaticContact CD2-CZ 3.74Å; Y175-F217 HydrophobicContact CD2-CZ 3.74Å; Y175-F217 HydrophobicContact CE2-CZ 4.28Å; Y175-K249 HydrophobicContact CD1-CD 4.45Å; Y175-K249 VanDerWaalsContact CD1-CE 3.46Å; Y175-K249 HydrophobicContact CD1-CG 4.17Å; Y175-K249 PolarHBondContact N-O 3.2Å; Y175-K249 PolarHBondContact O-N 3.18Å
176I94.7Very high89.1Confident0 Ų048.8 Ų48.80%027%0.267CS..EExtended strand (participates in β ladder)trans-120.3123.5-176.8-57.1164.3000108.1L179 L188 F192 V215 G216 I218 L246 I247 V248I176-L179 HydrophobicContact CG2-CD1 4.43Å; I176-L179 HydrophobicContact CG2-CD2 3.77Å; I176-L179 HydrophobicContact CG2-CG 3.98Å; I176-L188 HydrophobicContact CD1-CD1 4Å; I176-F192 HydrophobicContact CD1-CD2 4.29Å; I176-F192 HydrophobicContact CD1-CE1 4.03Å; I176-F192 HydrophobicContact CD1-CE2 3.76Å; I176-F192 HydrophobicContact CD1-CZ 3.61Å; I176-F192 HydrophobicContact CG1-CZ 4.2Å; I176-F192 HydrophobicContact CG2-CZ 4.46Å; I176-V215 CarbonylContact O-C 3.55Å; I176-V215 VanDerWaalsContact O-CA 3.27Å; I176-V215 WeakPolarHBondContact O-CA 3.37Å; I176-G216 PolarHBondContact N-O 2.99Å; I176-G216 PolarHBondContact O-N 2.95Å; I176-I218 HydrophobicContact CD1-CB 4.19Å; I176-I218 HydrophobicContact CD1-CD1 3.5Å; I176-I218 VanDerWaalsContact CD1-CD1 3.5Å; I176-I218 HydrophobicContact CD1-CG1 3.63Å; I176-L246 HydrophobicContact CG2-CD1 4.49Å; I176-L246 HydrophobicContact CG2-CD2 4.43Å; I176-I247 WeakPolarHBondContact CA-O 3.4Å; I176-V248 HydrophobicContact CG1-CG1 4.3Å; I176-V248 HydrophobicContact CG1-CG2 4.44Å; I176-V248 HydrophobicContact CG2-CG2 4.33Å
177C93.1Very high89.8Confident33 Ų3350.6 Ų50.622%0.22328%0.276CS..EExtended strand (participates in β ladder)trans-111.6156.6174.9-122.80000109.9Y175 G214 L246 I247Y175-C177 HydrophobicContact CE1-CB 3.89Å; Y175-C177 PolarHBondContact OH-SG 3.26Å; Y175-C177 VanDerWaalsContact OH-SG 3.35Å; C177-G214 CarbonylContact C-O 3.58Å; C177-L246 CarbonylContact O-C 3.58Å; C177-L246 VanDerWaalsContact O-CA 3.31Å; C177-L246 WeakPolarHBondContact O-CA 3.16Å; C177-I247 HydrophobicContact CB-CB 3.85Å; C177-I247 HydrophobicContact CB-CD1 4.49Å; C177-I247 PolarHBondContact N-O 2.99Å; C177-I247 PolarHBondContact O-N 2.69Å
178G90.3Very high90.5Very high25 Ų2548.2 Ų48.226%0.25827%0.265SS..  trans86.612.7176.100000114.6G214G178-G214 PolarHBondContact N-O 3.37Å
179L91.8Very high91.2Very high7 Ų751.3 Ų51.34%0.03728%0.278CS..  trans-63.7138.8175.5-63.9176.2000110.8I176 L188 I203 G214 L246I176-L179 HydrophobicContact CG2-CD1 4.43Å; I176-L179 HydrophobicContact CG2-CD2 3.77Å; I176-L179 HydrophobicContact CG2-CG 3.98Å; L179-L188 HydrophobicContact CD1-CD1 4.01Å; L179-L188 HydrophobicContact CD1-CD2 4.07Å; L179-L188 HydrophobicContact CD2-CD1 3.72Å; L179-I203 HydrophobicContact CD1-CD1 4.46Å; L179-I203 HydrophobicContact CD1-CG1 4.33Å; L179-G214 PolarHBondContact N-O 2.93Å; L179-G214 WeakPolarHBondContact O-CA 3.2Å; L179-L246 HydrophobicContact CD2-CD2 3.83Å
180P89.9Confident91.7Very high26 Ų2656.1 Ų56.117%0.16930%0.298CS..  trans-55.8144170.8-27.236000111.9L182 M183 V238P180-L182 PolarHBondContact O-N 2.9Å; P180-L182 VanDerWaalsContact O-N 3.12Å; P180-M183 HydrophobicContact CB-CB 4.35Å; P180-M183 WeakPolarHBondContact O-CB 3.27Å; P180-M183 PolarHBondContact O-N 2.89Å; P180-V238 HydrophobicContact CG-CB 4.13Å; P180-V238 HydrophobicContact CG-CG1 4.03Å; P180-V238 WeakPolarHBondContact CG-O 3.47Å
181K87Confident92.2Very high152 Ų15252 Ų5266%0.66128%0.282SS*.THydrogen-bonded Turntrans-62.9-22.8-177.1-66.6-175.9-179178.10113.9S212K181-S212 VanDerWaalsContact O-CB 3.26Å; K181-S212 WeakPolarHBondContact O-CB 3.46Å
182L88.2Confident92.7Very high165 Ų16549.9 Ų49.986%0.86426%0.259SS*.THydrogen-bonded Turntrans-92.2-4.7178.5-58.4176.7000113.5P180 T184P180-L182 PolarHBondContact O-N 2.9Å; P180-L182 VanDerWaalsContact O-N 3.12Å; L182-T184 PolarHBondContact O-N 3.24Å
183M89.3Confident92.8Very high26 Ų2655.3 Ų55.313%0.12828%0.284CS..  trans-65.8128-177.5-164.870164.400110.6P180 D187 L191 I203 V238P180-M183 HydrophobicContact CB-CB 4.35Å; P180-M183 WeakPolarHBondContact O-CB 3.27Å; P180-M183 PolarHBondContact O-N 2.89Å; M183-D187 HydrophobicContact CE-CB 3.83Å; M183-D187 WeakPolarHBondContact CE-O 3.43Å; M183-D187 HydrophobicContact CG-CB 4.48Å; M183-D187 HydrophobicContact SD-CB 3.75Å; M183-L191 HydrophobicContact CE-CB 4.38Å; M183-L191 HydrophobicContact CE-CD2 4.03Å; M183-I203 WeakPolarHBondContact O-CD1 3.42Å; M183-V238 HydrophobicContact CE-CG1 3.91Å; M183-V238 HydrophobicContact SD-CG1 4.09Å
184T92.2Very high92.8Very high64 Ų6458.2 Ų58.239%0.39331%0.306SS..  trans-91.1164.7176.280.30000112L182 S186 D187 L188 I203L182-T184 PolarHBondContact O-N 3.24Å; T184-S186 PolarHBondContact O-N 2.76Å; T184-S186 PolarHBondContact OG1-N 2.75Å; T184-D187 WeakPolarHBondContact CB-OD2 3.28Å; T184-D187 WeakPolarHBondContact CG2-OD2 3.19Å; T184-D187 PolarHBondContact N-OD2 3.49Å; T184-D187 PolarHBondContact O-N 2.55Å; T184-D187 VanDerWaalsContact OG1-CG 3.23Å; T184-D187 PolarHBondContact OG1-N 2.85Å; T184-D187 PolarHBondContact OG1-OD2 3.16Å; T184-L188 WeakPolarHBondContact O-CB 3.5Å; T184-L188 PolarHBondContact O-N 2.93Å; T184-I203 VanDerWaalsContact C-CD1 3.47Å
185E92.3Very high92.7Very high90 Ų9058.9 Ų58.942%0.42131%0.31SS..Hα-helixtrans-61.1-32.7174-167.9165117.800111.9E189 R202 I203E185-E189 WeakPolarHBondContact O-CB 3.48Å; E185-E189 PolarHBondContact O-N 2.81Å; E185-R202 VanDerWaalsContact OE2-CA 3.32Å; E185-R202 WeakPolarHBondContact OE2-CA 3.45Å; E185-I203 PolarHBondContact OE2-N 2.78Å
186S93.8Very high92.6Very high65 Ų6556.8 Ų56.846%0.45531%0.307SS..Hα-helixtrans-67-41.9174.5-1770000112T184 E189 K190T184-S186 PolarHBondContact O-N 2.76Å; T184-S186 PolarHBondContact OG1-N 2.75Å; S186-E189 PolarHBondContact O-N 3.48Å; S186-K190 VanDerWaalsContact O-CG 3.27Å; S186-K190 WeakPolarHBondContact O-CG 3.36Å; S186-K190 PolarHBondContact O-N 2.9Å; S186-K190 WeakPolarHBondContact OG-CE 3.4Å; S186-K190 PolarHBondContact OG-NZ 3.46Å
187D92.9Very high92.6Very high52 Ų5262.7 Ų62.728%0.27833%0.333SS..Hα-helixtrans-74.9-34.4-179.6-52.2-49000111.5M183 T184 E189 K190 L191M183-D187 HydrophobicContact CE-CB 3.83Å; M183-D187 WeakPolarHBondContact CE-O 3.43Å; M183-D187 HydrophobicContact CG-CB 4.48Å; M183-D187 HydrophobicContact SD-CB 3.75Å; T184-D187 WeakPolarHBondContact CB-OD2 3.28Å; T184-D187 WeakPolarHBondContact CG2-OD2 3.19Å; T184-D187 PolarHBondContact N-OD2 3.49Å; T184-D187 PolarHBondContact O-N 2.55Å; T184-D187 VanDerWaalsContact OG1-CG 3.23Å; T184-D187 PolarHBondContact OG1-N 2.85Å; T184-D187 PolarHBondContact OG1-OD2 3.16Å; D187-E189 VanDerWaalsContact C-N 3.31Å; D187-K190 PolarHBondContact O-N 2.85Å; D187-K190 IonicContact OD1-NZ 2.78Å; D187-K190 PolarHBondContact OD1-NZ 3.11Å; D187-L191 WeakPolarHBondContact O-CB 3.49Å; D187-L191 PolarHBondContact O-N 3.38Å
188L93.3Very high92.7Very high0 Ų062.3 Ų62.30%033%0.328CS..Hα-helixtrans-61.3-40.9170.4179.462.5000111.2I176 L179 T184 F192 I203 I218I176-L188 HydrophobicContact CD1-CD1 4Å; L179-L188 HydrophobicContact CD1-CD1 4.01Å; L179-L188 HydrophobicContact CD1-CD2 4.07Å; L179-L188 HydrophobicContact CD2-CD1 3.72Å; T184-L188 WeakPolarHBondContact O-CB 3.5Å; T184-L188 PolarHBondContact O-N 2.93Å; L188-F192 HydrophobicContact CD1-CD2 3.96Å; L188-F192 HydrophobicContact CD1-CE2 3.93Å; L188-F192 WeakPolarHBondContact O-CD2 3.46Å; L188-F192 PolarHBondContact O-N 3.3Å; L188-I203 HydrophobicContact CB-CD1 4.37Å; L188-I203 HydrophobicContact CD2-CD1 4.22Å; L188-I203 HydrophobicContact CD2-CG1 3.68Å; L188-I218 HydrophobicContact CD1-CD1 3.9Å; L188-I218 HydrophobicContact CD1-CG1 4.5Å; L188-I218 HydrophobicContact CD2-CD1 4.49Å; L188-I218 HydrophobicContact CD2-CG1 4.28Å; L188-I218 HydrophobicContact CG-CD1 3.86Å; L188-I218 HydrophobicContact CG-CG1 4.18Å
189E95.5Very high92.8Very high77 Ų7763.4 Ų63.436%0.3633%0.328SS..Hα-helixtrans-66.8-50.6175.2-167.2171.3149.400111.7E185 S186 D187 L191 F192 H193 I198 S201E185-E189 WeakPolarHBondContact O-CB 3.48Å; E185-E189 PolarHBondContact O-N 2.81Å; S186-E189 PolarHBondContact O-N 3.48Å; D187-E189 VanDerWaalsContact C-N 3.31Å; E189-L191 VanDerWaalsContact C-N 3.27Å; E189-L191 PolarHBondContact O-N 2.75Å; E189-F192 PolarHBondContact O-N 3.39Å; E189-H193 WeakPolarHBondContact O-CB 3.47Å; E189-H193 PolarHBondContact O-N 3.17Å; E189-I198 HydrophobicContact CB-CD1 4.48Å; E189-I198 HydrophobicContact CG-CB 4.37Å; E189-I198 HydrophobicContact CG-CD1 3.81Å; E189-I198 HydrophobicContact CG-CG2 4.31Å; E189-S201 PolarHBondContact OE2-OG 2.95Å
190K94.5Very high92.7Very high126 Ų12664.9 Ų64.955%0.54834%0.337SS..Hα-helixtrans-53-42.8176.7-70.5165.9-151.9158.70112.7S186 D187S186-K190 VanDerWaalsContact O-CG 3.27Å; S186-K190 WeakPolarHBondContact O-CG 3.36Å; S186-K190 PolarHBondContact O-N 2.9Å; S186-K190 WeakPolarHBondContact OG-CE 3.4Å; S186-K190 PolarHBondContact OG-NZ 3.46Å; D187-K190 PolarHBondContact O-N 2.85Å; D187-K190 IonicContact OD1-NZ 2.78Å; D187-K190 PolarHBondContact OD1-NZ 3.11Å
191L93Very high92.9Very high33 Ų3364.2 Ų64.217%0.17333%0.333CS..Hα-helixtrans-63.6-42-178.5178.764.2000112.1M183 D187 E189 P194 F233 Y236 V238 L246M183-L191 HydrophobicContact CE-CB 4.38Å; M183-L191 HydrophobicContact CE-CD2 4.03Å; D187-L191 WeakPolarHBondContact O-CB 3.49Å; D187-L191 PolarHBondContact O-N 3.38Å; E189-L191 VanDerWaalsContact C-N 3.27Å; E189-L191 PolarHBondContact O-N 2.75Å; L191-P194 WeakPolarHBondContact O-CD 3.35Å; L191-F233 HydrophobicContact CD1-CD1 4.35Å; L191-F233 HydrophobicContact CD1-CE1 3.6Å; L191-F233 HydrophobicContact CD1-CZ 4.03Å; L191-F233 HydrophobicContact CG-CD1 4.46Å; L191-F233 HydrophobicContact CG-CE1 4Å; L191-F233 HydrophobicContact CG-CZ 4.23Å; L191-F233 WeakPolarHBondContact O-CE2 3.45Å; L191-F233 WeakPolarHBondContact O-CZ 3.45Å; L191-Y236 HydrophobicContact CD1-CE1 4.21Å; L191-V238 HydrophobicContact CD2-CG2 3.45Å; L191-V238 VanDerWaalsContact CD2-CG2 3.45Å; L191-L246 HydrophobicContact CD2-CD1 4.2Å
192F94.9Very high93.2Very high0 Ų063.7 Ų63.70%033%0.327CS..Hα-helixtrans-95.3-14.2-174-81.7-95.3000114.3I176 L188 E189 P194 C195 I198 I218 F220 A229 F233 L246 V248I176-F192 HydrophobicContact CD1-CD2 4.29Å; I176-F192 HydrophobicContact CD1-CE1 4.03Å; I176-F192 HydrophobicContact CD1-CE2 3.76Å; I176-F192 HydrophobicContact CD1-CZ 3.61Å; I176-F192 HydrophobicContact CG1-CZ 4.2Å; I176-F192 HydrophobicContact CG2-CZ 4.46Å; L188-F192 HydrophobicContact CD1-CD2 3.96Å; L188-F192 HydrophobicContact CD1-CE2 3.93Å; L188-F192 WeakPolarHBondContact O-CD2 3.46Å; L188-F192 PolarHBondContact O-N 3.3Å; E189-F192 PolarHBondContact O-N 3.39Å; F192-P194 VanDerWaalsContact C-N 3.31Å; F192-C195 PolarHBondContact O-N 2.97Å; F192-I198 HydrophobicContact CB-CD1 3.92Å; F192-I218 HydrophobicContact CB-CD1 3.42Å; F192-I218 VanDerWaalsContact CB-CD1 3.42Å; F192-I218 HydrophobicContact CD1-CD1 3.93Å; F192-I218 HydrophobicContact CD2-CD1 3.45Å; F192-I218 VanDerWaalsContact CD2-CD1 3.45Å; F192-I218 HydrophobicContact CE2-CD1 4.16Å; F192-I218 HydrophobicContact CG-CD1 3.31Å; F192-F220 HydrophobicContact CB-CZ 4.11Å; F192-F220 HydrophobicContact CD1-CE2 4.46Å; F192-F220 HydrophobicContact CD1-CZ 4.3Å; F192-A229 HydrophobicContact CD1-CB 3.95Å; F192-A229 HydrophobicContact CE1-CB 4.21Å; F192-F233 AromaticContact CD1-CD2 3.67Å; F192-F233 HydrophobicContact CD1-CD2 3.67Å; F192-F233 HydrophobicContact CD1-CE2 4.18Å; F192-F233 HydrophobicContact CD1-CG 4.4Å; F192-F233 HydrophobicContact CE1-CB 3.73Å; F192-F233 AromaticContact CE1-CD2 3.55Å; F192-F233 HydrophobicContact CE1-CD2 3.55Å; F192-F233 HydrophobicContact CE1-CE2 4.45Å; F192-F233 AromaticContact CE1-CG 3.88Å; F192-F233 HydrophobicContact CE1-CG 3.88Å; F192-F233 HydrophobicContact CG-CD2 4.27Å; F192-F233 HydrophobicContact CG-CE2 4.42Å; F192-F233 HydrophobicContact CZ-CB 3.71Å; F192-F233 HydrophobicContact CZ-CD2 4.05Å; F192-F233 AromaticContact CZ-CG 3.95Å; F192-F233 HydrophobicContact CZ-CG 3.95Å; F192-L246 HydrophobicContact CE2-CD1 4.2Å; F192-L246 HydrophobicContact CZ-CD1 4.16Å; F192-V248 HydrophobicContact CE1-CG1 4.12Å; F192-V248 HydrophobicContact CE1-CG2 4.2Å; F192-V248 HydrophobicContact CZ-CG2 3.88Å
193H94.5Very high93.5Very high115 Ų11556 Ų5653%0.53229%0.287SS..G310 helixtrans-50-37.2176.1-167.7101.5000114.7E189 C195 G196E189-H193 WeakPolarHBondContact O-CB 3.47Å; E189-H193 PolarHBondContact O-N 3.17Å; H193-C195 PolarHBondContact O-N 3.41Å; H193-G196 PolarHBondContact O-N 2.94Å; H193-G196 VanDerWaalsContact O-N 3.16Å; H193-G196 VanDerWaalsContact O-O 3.14Å
194P94.8Very high93.6Very high105 Ų10557.5 Ų57.568%0.68230%0.295SS*.G310 helixtrans-64.2-18.1177.8-23.635.9000115L191 F192L191-P194 WeakPolarHBondContact O-CD 3.35Å; F192-P194 VanDerWaalsContact C-N 3.31Å
195C94.4Very high93.5Very high15 Ų1559.7 Ų59.710%0.10130%0.3CS..G310 helixtrans-85.9-11.8177.3-65.80000113.6F192 H193 F220 E225 A229 F233F192-C195 PolarHBondContact O-N 2.97Å; H193-C195 PolarHBondContact O-N 3.41Å; C195-F220 HydrophobicContact CB-CE1 4.16Å; C195-F220 HydrophobicContact CB-CZ 4.01Å; C195-E225 WeakPolarHBondContact O-CA 3.38Å; C195-E225 WeakPolarHBondContact O-CB 3.21Å; C195-A229 HydrophobicContact CB-CB 3.82Å; C195-F233 VanDerWaalsContact SG-CE2 3.58Å
196G94Very high93.4Very high17 Ų1757 Ų5718%0.17529%0.288CS..SBendtrans148.2-177.118000000114.8H193 I198 F220 E225H193-G196 PolarHBondContact O-N 2.94Å; H193-G196 VanDerWaalsContact O-N 3.16Å; H193-G196 VanDerWaalsContact O-O 3.14Å; G196-I198 PolarHBondContact O-N 2.83Å; G196-F220 WeakPolarHBondContact O-CE1 2.93Å; G196-E225 WeakPolarHBondContact CA-OE1 3.28Å
197K94.3Very high93.1Very high123 Ų12359.4 Ų59.454%0.53531%0.305SS..  trans-76.8114.4-172.8179.1-179.4173.6-168.30111.8F220 D221 E225K197-F220 CarbonylContact O-C 3.58Å; K197-F220 WeakPolarHBondContact O-CA 3.29Å; K197-D221 HydrophobicContact CB-CB 3.97Å; K197-D221 HydrophobicContact CD-CB 4.03Å; K197-D221 HydrophobicContact CG-CB 4.17Å; K197-D221 PolarHBondContact O-N 3.45Å; K197-E225 PolarHBondContact N-OE1 3.08Å
198I95Very high92.9Very high25 Ų2564.1 Ų64.113%0.12833%0.33CS..EExtended strand (participates in β ladder)trans-82.3133.8178.5-64.2171.7000110.9E189 F192 G196 I218 F220E189-I198 HydrophobicContact CB-CD1 4.48Å; E189-I198 HydrophobicContact CG-CB 4.37Å; E189-I198 HydrophobicContact CG-CD1 3.81Å; E189-I198 HydrophobicContact CG-CG2 4.31Å; F192-I198 HydrophobicContact CB-CD1 3.92Å; G196-I198 PolarHBondContact O-N 2.83Å; I198-I218 HydrophobicContact CD1-CD1 4.47Å; I198-I218 HydrophobicContact CD1-CG2 3.99Å; I198-I218 HydrophobicContact CG1-CG2 3.83Å; I198-I218 HydrophobicContact CG2-CG2 4.08Å; I198-F220 HydrophobicContact CD1-CE1 4.48Å; I198-F220 HydrophobicContact CG1-CD1 4.16Å; I198-F220 HydrophobicContact CG1-CE1 3.83Å; I198-F220 HydrophobicContact CG1-CZ 4.31Å
199I92.3Very high92.8Very high49 Ų4968.3 Ų68.325%0.25136%0.356SS..EExtended strand (participates in β ladder)trans-103.6-35.5-179.2-60.4-61.9000111.6K158 R219 D221K158-I199 PolarHBondContact NZ-O 2.86Å; I199-R219 PolarHBondContact N-O 3.23Å; I199-D221 HydrophobicContact CD1-CB 4.14Å; I199-D221 WeakPolarHBondContact CD1-OD1 3.26Å; I199-D221 HydrophobicContact CG1-CB 4.18Å
200T91.5Very high92.4Very high37 Ų3767.1 Ų67.123%0.22736%0.364CS..EExtended strand (participates in β ladder)trans-154.1114.716847.60000109.8K158 I218 R219K158-T200 HydrophobicContact CD-CG2 4.47Å; T200-I218 WeakPolarHBondContact O-CA 3.44Å; T200-R219 PolarHBondContact N-O 2.86Å; T200-R219 PolarHBondContact O-N 3.47Å; T200-R219 WeakPolarHBondContact OG1-CB 2.98Å
201S94.1Very high92.1Very high13 Ų1366.4 Ų66.49%0.09136%0.363CS..EExtended strand (participates in β ladder)trans-75.3155.4150.843.50000109.3E189 F217E189-S201 PolarHBondContact OE2-OG 2.95Å; S201-F217 CarbonylContact C-O 3.47Å
202R92.4Very high91.9Very high140 Ų14065.2 Ų65.253%0.52836%0.357SS..EExtended strand (participates in β ladder)trans-163.5137.2163.2-173.9169.5177.3175.50.8112.4E185 G216 F217E185-R202 VanDerWaalsContact OE2-CA 3.32Å; E185-R202 WeakPolarHBondContact OE2-CA 3.45Å; R202-G216 CarbonylContact O-C 3.59Å; R202-G216 WeakPolarHBondContact O-CA 3.49Å; R202-F217 PolarHBondContact N-O 3.02Å; R202-F217 PolarHBondContact O-N 3.43Å
203I93.8Very high91.7Very high3 Ų370.5 Ų70.52%0.01538%0.38CS..EExtended strand (participates in β ladder)trans-99.1143.5168.3-66-178.9000111.6L179 M183 T184 E185 L188 F205L179-I203 HydrophobicContact CD1-CD1 4.46Å; L179-I203 HydrophobicContact CD1-CG1 4.33Å; M183-I203 WeakPolarHBondContact O-CD1 3.42Å; T184-I203 VanDerWaalsContact C-CD1 3.47Å; E185-I203 PolarHBondContact OE2-N 2.78Å; L188-I203 HydrophobicContact CB-CD1 4.37Å; L188-I203 HydrophobicContact CD2-CD1 4.22Å; L188-I203 HydrophobicContact CD2-CG1 3.68Å; I203-F205 HydrophobicContact CB-CE2 3.88Å; I203-F205 HydrophobicContact CB-CZ 4.17Å; I203-F205 HydrophobicContact CG2-CD2 4.29Å; I203-F205 HydrophobicContact CG2-CE1 4.35Å; I203-F205 HydrophobicContact CG2-CE2 3.76Å; I203-F205 HydrophobicContact CG2-CZ 3.79Å
204L92.2Very high91.6Very high59 Ų5965.5 Ų65.531%0.30936%0.36SS..EExtended strand (participates in β ladder)trans-88.5121.9169.4-67.9-167.7000110.7K213 V215 F217L204-K213 HydrophobicContact CB-CB 4.38Å; L204-K213 WeakPolarHBondContact O-CB 3.47Å; L204-K213 PolarHBondContact O-N 3.1Å; L204-V215 HydrophobicContact CB-CB 4.35Å; L204-V215 HydrophobicContact CD1-CB 4.34Å; L204-V215 HydrophobicContact CD1-CG1 3.84Å; L204-V215 HydrophobicContact CG-CG1 4.23Å; L204-V215 PolarHBondContact N-O 3.49Å; L204-F217 HydrophobicContact CD1-CE2 3.98Å; L204-F217 HydrophobicContact CD2-CD2 4.5Å; L204-F217 HydrophobicContact CD2-CE2 4.14Å; L204-F217 HydrophobicContact CG-CD2 4.41Å; L204-F217 HydrophobicContact CG-CE2 4Å
205F91.2Very high91.5Very high110 Ų11061.2 Ų61.248%0.48233%0.331SS..EExtended strand (participates in β ladder)trans-100.2155.1169.2-62.7-89000110.3I203 G210 Q211I203-F205 HydrophobicContact CB-CE2 3.88Å; I203-F205 HydrophobicContact CB-CZ 4.17Å; I203-F205 HydrophobicContact CG2-CD2 4.29Å; I203-F205 HydrophobicContact CG2-CE1 4.35Å; I203-F205 HydrophobicContact CG2-CE2 3.76Å; I203-F205 HydrophobicContact CG2-CZ 3.79Å; F205-G210 WeakPolarHBondContact CD1-O 3.27Å; F205-Q211 CarbonylContact C-O 3.54Å; F205-Q211 WeakPolarHBondContact CA-O 3.4Å
206D90Very high91.5Very high34 Ų3460.5 Ų60.518%0.18233%0.327CS..PPolyproline II helixtrans-80.5128.8170.8-177.156.8000111.4N208 T209 G210 Q211 K213D206-N208 PolarHBondContact O-N 3.18Å; D206-N208 PolarHBondContact OD2-N 3.11Å; D206-T209 WeakPolarHBondContact CB-OG1 3.41Å; D206-T209 PolarHBondContact OD2-N 3.16Å; D206-T209 PolarHBondContact OD2-OG1 2.79Å; D206-G210 WeakPolarHBondContact O-CA 3.45Å; D206-G210 PolarHBondContact O-N 3.38Å; D206-Q211 PolarHBondContact N-O 3.31Å; D206-K213 HydrophobicContact CB-CD 4.31Å; D206-K213 HydrophobicContact CB-CG 4.06Å; D206-K213 WeakPolarHBondContact OD1-CE 3.38Å; D206-K213 IonicContact OD1-NZ 2.75Å; D206-K213 PolarHBondContact OD1-NZ 3.45Å
207S86.7Confident91.6Very high114 Ų11462.6 Ų62.680%0.79733%0.331SS*.THydrogen-bonded Turntrans-70.5-19.4-173.2-530000113.9
208N88.8Confident91.7Very high151 Ų15156.8 Ų56.881%0.80731%0.306SS*.THydrogen-bonded Turntrans-94.9-39.5-177.7-59.1-16.1000111.5D206D206-N208 PolarHBondContact O-N 3.18Å; D206-N208 PolarHBondContact OD2-N 3.11Å
209T90.2Very high91.6Very high89 Ų8959.2 Ų59.255%0.54631%0.313SS..THydrogen-bonded Turntrans-104.7-11.3-173.757.50000114.5D206 Q211D206-T209 WeakPolarHBondContact CB-OG1 3.41Å; D206-T209 PolarHBondContact OD2-N 3.16Å; D206-T209 PolarHBondContact OD2-OG1 2.79Å; T209-Q211 PolarHBondContact O-N 2.88Å; T209-Q211 VanDerWaalsContact O-N 3.09Å
210G87.7Confident91.8Very high52 Ų5256.9 Ų56.954%0.53630%0.301SS..  trans69-4-173.100000114.7F205 D206F205-G210 WeakPolarHBondContact CD1-O 3.27Å; D206-G210 WeakPolarHBondContact O-CA 3.45Å; D206-G210 PolarHBondContact O-N 3.38Å
211Q88Confident91.8Very high110 Ų11056.2 Ų56.251%0.51430%0.296SS..  trans-75.6147.7-175.7-66.4-65.6-37.300111.9F205 D206 T209 K213F205-Q211 CarbonylContact C-O 3.54Å; F205-Q211 WeakPolarHBondContact CA-O 3.4Å; D206-Q211 PolarHBondContact N-O 3.31Å; T209-Q211 PolarHBondContact O-N 2.88Å; T209-Q211 VanDerWaalsContact O-N 3.09Å; Q211-K213 PolarHBondContact O-N 3.34Å
212S89.3Confident91.7Very high8 Ų858.1 Ų58.16%0.05630%0.304CS..EExtended strand (participates in β ladder)trans-61133.5170.1173.80000110.4K181 G214K181-S212 VanDerWaalsContact O-CB 3.26Å; K181-S212 WeakPolarHBondContact O-CB 3.46Å; S212-G214 PolarHBondContact O-N 3.2Å; S212-G214 PolarHBondContact OG-N 2.85Å
213K91.6Very high91.7Very high111 Ų11156.1 Ų56.148%0.48330%0.296SS..EExtended strand (participates in β ladder)trans-75.81.4174.8-79.9178.7158.7149.20113.2L204 D206 Q211 V215L204-K213 HydrophobicContact CB-CB 4.38Å; L204-K213 WeakPolarHBondContact O-CB 3.47Å; L204-K213 PolarHBondContact O-N 3.1Å; D206-K213 HydrophobicContact CB-CD 4.31Å; D206-K213 HydrophobicContact CB-CG 4.06Å; D206-K213 WeakPolarHBondContact OD1-CE 3.38Å; D206-K213 IonicContact OD1-NZ 2.75Å; D206-K213 PolarHBondContact OD1-NZ 3.45Å; Q211-K213 PolarHBondContact O-N 3.34Å; K213-V215 HydrophobicContact CB-CB 4.48Å; K213-V215 PolarHBondContact O-N 2.97Å
214G91.1Very high91.7Very high10 Ų1061.7 Ų61.710%0.10332%0.322CS..EExtended strand (participates in β ladder)trans65.524.1-171.600000112.8C177 G178 L179 S212C177-G214 CarbonylContact C-O 3.58Å; G178-G214 PolarHBondContact N-O 3.37Å; L179-G214 PolarHBondContact N-O 2.93Å; L179-G214 WeakPolarHBondContact O-CA 3.2Å; S212-G214 PolarHBondContact O-N 3.2Å; S212-G214 PolarHBondContact OG-N 2.85Å
215V93.6Very high91.9Very high15 Ų1560.4 Ų60.49%0.09131%0.314CS..EExtended strand (participates in β ladder)trans-130.6134.8-175.7176.30000109.6Y175 I176 L204 K213Y175-V215 HydrophobicContact CD2-CG1 4.23Å; Y175-V215 HydrophobicContact CE1-CG1 4.49Å; Y175-V215 HydrophobicContact CE2-CG1 3.48Å; Y175-V215 VanDerWaalsContact CE2-CG1 3.48Å; I176-V215 CarbonylContact O-C 3.55Å; I176-V215 VanDerWaalsContact O-CA 3.27Å; I176-V215 WeakPolarHBondContact O-CA 3.37Å; L204-V215 HydrophobicContact CB-CB 4.35Å; L204-V215 HydrophobicContact CD1-CB 4.34Å; L204-V215 HydrophobicContact CD1-CG1 3.84Å; L204-V215 HydrophobicContact CG-CG1 4.23Å; L204-V215 PolarHBondContact N-O 3.49Å; K213-V215 HydrophobicContact CB-CB 4.48Å; K213-V215 PolarHBondContact O-N 2.97Å
216G94.4Very high92.1Very high0 Ų055.1 Ų55.10%029%0.291CS..EExtended strand (participates in β ladder)trans-139.2170.4175.100000112.7I176 R202I176-G216 PolarHBondContact N-O 2.99Å; I176-G216 PolarHBondContact O-N 2.95Å; R202-G216 CarbonylContact O-C 3.59Å; R202-G216 WeakPolarHBondContact O-CA 3.49Å
217F95.9Very high92.3Very high62 Ų6255.7 Ų55.727%0.27229%0.293SS..EExtended strand (participates in β ladder)trans-126.9142.7171.6-67.1-93.8000109.5L174 Y175 S201 R202 L204 A251L174-F217 VanDerWaalsContact O-CA 3.25Å; L174-F217 WeakPolarHBondContact O-CA 3.33Å; L174-F217 WeakPolarHBondContact O-CD1 3.31Å; Y175-F217 AromaticContact CD2-CE1 3.76Å; Y175-F217 HydrophobicContact CD2-CE1 3.76Å; Y175-F217 HydrophobicContact CD2-CE2 4.47Å; Y175-F217 AromaticContact CD2-CZ 3.74Å; Y175-F217 HydrophobicContact CD2-CZ 3.74Å; Y175-F217 HydrophobicContact CE2-CZ 4.28Å; S201-F217 CarbonylContact C-O 3.47Å; R202-F217 PolarHBondContact N-O 3.02Å; R202-F217 PolarHBondContact O-N 3.43Å; L204-F217 HydrophobicContact CD1-CE2 3.98Å; L204-F217 HydrophobicContact CD2-CD2 4.5Å; L204-F217 HydrophobicContact CD2-CE2 4.14Å; L204-F217 HydrophobicContact CG-CD2 4.41Å; L204-F217 HydrophobicContact CG-CE2 4Å; F217-A251 HydrophobicContact CD1-CB 4Å; F217-A251 HydrophobicContact CE1-CB 3.97Å
218I95.7Very high92.7Very high0 Ų053.4 Ų53.40%027%0.271CS..EExtended strand (participates in β ladder)trans-132.7123.7169.8-64.7-179000108.1L174 I176 L188 F192 I198 T200 F220L174-I218 PolarHBondContact N-O 3.21Å; L174-I218 PolarHBondContact O-N 3Å; I176-I218 HydrophobicContact CD1-CB 4.19Å; I176-I218 HydrophobicContact CD1-CD1 3.5Å; I176-I218 VanDerWaalsContact CD1-CD1 3.5Å; I176-I218 HydrophobicContact CD1-CG1 3.63Å; L188-I218 HydrophobicContact CD1-CD1 3.9Å; L188-I218 HydrophobicContact CD1-CG1 4.5Å; L188-I218 HydrophobicContact CD2-CD1 4.49Å; L188-I218 HydrophobicContact CD2-CG1 4.28Å; L188-I218 HydrophobicContact CG-CD1 3.86Å; L188-I218 HydrophobicContact CG-CG1 4.18Å; F192-I218 HydrophobicContact CB-CD1 3.42Å; F192-I218 VanDerWaalsContact CB-CD1 3.42Å; F192-I218 HydrophobicContact CD1-CD1 3.93Å; F192-I218 HydrophobicContact CD2-CD1 3.45Å; F192-I218 VanDerWaalsContact CD2-CD1 3.45Å; F192-I218 HydrophobicContact CE2-CD1 4.16Å; F192-I218 HydrophobicContact CG-CD1 3.31Å; I198-I218 HydrophobicContact CD1-CD1 4.47Å; I198-I218 HydrophobicContact CD1-CG2 3.99Å; I198-I218 HydrophobicContact CG1-CG2 3.83Å; I198-I218 HydrophobicContact CG2-CG2 4.08Å; T200-I218 WeakPolarHBondContact O-CA 3.44Å; I218-F220 HydrophobicContact CG2-CD2 3.93Å; I218-F220 HydrophobicContact CG2-CE2 3.67Å; I218-F220 HydrophobicContact CG2-CZ 4.09Å
219R94.2Very high93.1Very high77 Ų7746.2 Ų46.229%0.29123%0.233SC..EExtended strand (participates in β ladder)trans-99.8118.1167.7-165.9-179-175.9172.63.3109.1I169 A172 N173 I199 T200I169-R219 PolarHBondContact O-NH2 3.01Å; I169-R219 VanDerWaalsContact O-NH2 3.17Å; A172-R219 CarbonylContact O-C 3.5Å; A172-R219 WeakPolarHBondContact O-CA 3.33Å; A172-R219 WeakPolarHBondContact O-CG 3.24Å; N173-R219 HydrophobicContact CB-CG 4.31Å; I199-R219 PolarHBondContact N-O 3.23Å; T200-R219 PolarHBondContact N-O 2.86Å; T200-R219 PolarHBondContact O-N 3.47Å; T200-R219 WeakPolarHBondContact OG1-CB 2.98Å
220F95.4Very high93.4Very high0 Ų043.7 Ų43.70%022%0.216CC..EExtended strand (participates in β ladder)trans-81.3172.5170.6-79.3-80.1000111.4A172 L174 F192 C195 G196 K197 I198 I218 E225 A226 A229A172-F220 PolarHBondContact O-N 3.38Å; L174-F220 HydrophobicContact CD1-CD2 4.1Å; L174-F220 HydrophobicContact CD1-CE2 3.76Å; L174-F220 HydrophobicContact CG-CD2 4.49Å; F192-F220 HydrophobicContact CB-CZ 4.11Å; F192-F220 HydrophobicContact CD1-CE2 4.46Å; F192-F220 HydrophobicContact CD1-CZ 4.3Å; C195-F220 HydrophobicContact CB-CE1 4.16Å; C195-F220 HydrophobicContact CB-CZ 4.01Å; G196-F220 WeakPolarHBondContact O-CE1 2.93Å; K197-F220 CarbonylContact O-C 3.58Å; K197-F220 WeakPolarHBondContact O-CA 3.29Å; I198-F220 HydrophobicContact CD1-CE1 4.48Å; I198-F220 HydrophobicContact CG1-CD1 4.16Å; I198-F220 HydrophobicContact CG1-CE1 3.83Å; I198-F220 HydrophobicContact CG1-CZ 4.31Å; I218-F220 HydrophobicContact CG2-CD2 3.93Å; I218-F220 HydrophobicContact CG2-CE2 3.67Å; I218-F220 HydrophobicContact CG2-CZ 4.09Å; F220-E225 HydrophobicContact CB-CB 3.91Å; F220-E225 HydrophobicContact CD1-CB 3.65Å; F220-E225 HydrophobicContact CE1-CB 4.36Å; F220-E225 HydrophobicContact CG-CB 3.85Å; F220-A226 HydrophobicContact CB-CB 4.33Å; F220-A226 HydrophobicContact CD2-CB 3.91Å; F220-A226 HydrophobicContact CG-CB 4.44Å; F220-A229 HydrophobicContact CD2-CB 4.44Å; F220-A229 HydrophobicContact CE2-CB 3.49Å; F220-A229 VanDerWaalsContact CE2-CB 3.49Å; F220-A229 HydrophobicContact CZ-CB 3.7Å
221D91.3Very high93.7Very high22 Ų2248.5 Ų48.512%0.11822%0.224CC..SBendtrans-72.6-52.4174.1-163.752.9000108.6R163 I169 K197 I199 E225R163-D221 WeakPolarHBondContact CD-OD1 3.15Å; R163-D221 IonicContact CZ-OD1 2.55Å; R163-D221 IonicContact NE-OD1 2.94Å; R163-D221 PolarHBondContact NH1-O 3.18Å; R163-D221 IonicContact NH1-OD1 3.23Å; R163-D221 PolarHBondContact NH1-OD1 3.17Å; I169-D221 WeakPolarHBondContact CG2-O 2.96Å; K197-D221 HydrophobicContact CB-CB 3.97Å; K197-D221 HydrophobicContact CD-CB 4.03Å; K197-D221 HydrophobicContact CG-CB 4.17Å; K197-D221 PolarHBondContact O-N 3.45Å; I199-D221 HydrophobicContact CD1-CB 4.14Å; I199-D221 WeakPolarHBondContact CD1-OD1 3.26Å; I199-D221 HydrophobicContact CG1-CB 4.18Å; D221-E225 WeakPolarHBondContact CA-OE2 3.46Å; D221-E225 WeakPolarHBondContact CB-OE2 3.11Å; D221-E225 PolarHBondContact N-OE2 3.18Å
222Q91.9Very high94Very high53 Ų5349.6 Ų49.625%0.24823%0.229CC..SBendtrans-114.8151.3-175.7-49.2-59.1-36.900112.4S168 H224 E225 A226S168-Q222 CarbonylContact O-C 3.49Å; S168-Q222 WeakPolarHBondContact O-CA 3.4Å; S168-Q222 PolarHBondContact OG-OE1 2.86Å; Q222-H224 VanDerWaalsContact C-N 3.3Å; Q222-H224 PolarHBondContact O-N 3.18Å; Q222-E225 HydrophobicContact CB-CG 4.17Å; Q222-E225 PolarHBondContact N-OE2 3.32Å; Q222-E225 WeakPolarHBondContact O-CB 3.39Å; Q222-E225 PolarHBondContact O-N 3.04Å; Q222-A226 PolarHBondContact O-N 2.63Å
223R93.1Very high94.2Very high99 Ų9950 Ų5037%0.37423%0.23SC..Hα-helixtrans-62.4-35.7178179.9178.8159.3-174.7-10.9112.5S168 A172 E225 A226 E227S168-R223 WeakPolarHBondContact O-CB 3.45Å; S168-R223 PolarHBondContact O-N 3.42Å; A172-R223 HydrophobicContact CB-CB 4.49Å; R223-E225 PolarHBondContact O-N 2.87Å; R223-A226 WeakPolarHBondContact O-CB 3.23Å; R223-A226 PolarHBondContact O-N 2.81Å; R223-A226 VanDerWaalsContact O-N 3.16Å; R223-E227 HydrophobicContact CG-CG 4.5Å; R223-E227 IonicContact CZ-OE1 3.3Å; R223-E227 VanDerWaalsContact CZ-OE1 3.23Å; R223-E227 IonicContact NE-OE1 3.52Å; R223-E227 PolarHBondContact NE-OE1 2.79Å; R223-E227 IonicContact NH2-OE1 2.65Å; R223-E227 PolarHBondContact NH2-OE1 2.78Å; R223-E227 WeakPolarHBondContact O-CG 3.48Å; R223-E227 PolarHBondContact O-N 3.03Å
224H93.6Very high94.3Very high120 Ų12048.8 Ų48.856%0.55623%0.229SC*.Hα-helixtrans-59.6-43176.4170.552.1000112.6Q222 A226 E227 L228Q222-H224 VanDerWaalsContact C-N 3.3Å; Q222-H224 PolarHBondContact O-N 3.18Å; H224-A226 VanDerWaalsContact C-N 3.28Å; H224-A226 PolarHBondContact O-N 3.38Å; H224-E227 PolarHBondContact O-N 2.73Å; H224-E227 VanDerWaalsContact O-N 3.11Å; H224-L228 WeakPolarHBondContact O-CG 3.41Å; H224-L228 PolarHBondContact O-N 3.38Å
225E95.4Very high94.2Very high31 Ų3150.5 Ų50.515%0.14525%0.247CC..Hα-helixtrans-60.5-40175.1-58.8173.8131.500111.2C195 G196 K197 F220 D221 Q222 R223 L228 A229C195-E225 WeakPolarHBondContact O-CA 3.38Å; C195-E225 WeakPolarHBondContact O-CB 3.21Å; G196-E225 WeakPolarHBondContact CA-OE1 3.28Å; K197-E225 PolarHBondContact N-OE1 3.08Å; F220-E225 HydrophobicContact CB-CB 3.91Å; F220-E225 HydrophobicContact CD1-CB 3.65Å; F220-E225 HydrophobicContact CE1-CB 4.36Å; F220-E225 HydrophobicContact CG-CB 3.85Å; D221-E225 WeakPolarHBondContact CA-OE2 3.46Å; D221-E225 WeakPolarHBondContact CB-OE2 3.11Å; D221-E225 PolarHBondContact N-OE2 3.18Å; Q222-E225 HydrophobicContact CB-CG 4.17Å; Q222-E225 PolarHBondContact N-OE2 3.32Å; Q222-E225 WeakPolarHBondContact O-CB 3.39Å; Q222-E225 PolarHBondContact O-N 3.04Å; R223-E225 PolarHBondContact O-N 2.87Å; E225-L228 PolarHBondContact O-N 2.86Å; E225-A229 WeakPolarHBondContact O-CB 3.34Å; E225-A229 PolarHBondContact O-N 2.93Å
226A95.4Very high94Very high0 Ų055.3 Ų55.30%026%0.264CS..Hα-helixtrans-68-33.3175.400000112.7L174 F220 Q222 R223 H224 I230 F250L174-A226 HydrophobicContact CD1-CB 4.32Å; L174-A226 HydrophobicContact CD2-CB 3.92Å; L174-A226 HydrophobicContact CG-CB 4.05Å; F220-A226 HydrophobicContact CB-CB 4.33Å; F220-A226 HydrophobicContact CD2-CB 3.91Å; F220-A226 HydrophobicContact CG-CB 4.44Å; Q222-A226 PolarHBondContact O-N 2.63Å; R223-A226 WeakPolarHBondContact O-CB 3.23Å; R223-A226 PolarHBondContact O-N 2.81Å; R223-A226 VanDerWaalsContact O-N 3.16Å; H224-A226 VanDerWaalsContact C-N 3.28Å; H224-A226 PolarHBondContact O-N 3.38Å; A226-I230 WeakPolarHBondContact O-CG1 3.12Å; A226-I230 PolarHBondContact O-N 2.79Å; A226-F250 HydrophobicContact CB-CE1 4.38Å
227E95.4Very high93.7Very high46 Ų4661.2 Ų61.222%0.21529%0.286CS..Hα-helixtrans-70.5-41.8174.1-73.8172.4172.900111.7R223 H224 I230 Q231 F250R223-E227 HydrophobicContact CG-CG 4.5Å; R223-E227 IonicContact CZ-OE1 3.3Å; R223-E227 VanDerWaalsContact CZ-OE1 3.23Å; R223-E227 IonicContact NE-OE1 3.52Å; R223-E227 PolarHBondContact NE-OE1 2.79Å; R223-E227 IonicContact NH2-OE1 2.65Å; R223-E227 PolarHBondContact NH2-OE1 2.78Å; R223-E227 WeakPolarHBondContact O-CG 3.48Å; R223-E227 PolarHBondContact O-N 3.03Å; H224-E227 PolarHBondContact O-N 2.73Å; H224-E227 VanDerWaalsContact O-N 3.11Å; E227-I230 PolarHBondContact O-N 3.42Å; E227-Q231 WeakPolarHBondContact O-CG 3.44Å; E227-Q231 PolarHBondContact O-N 2.69Å; E227-F250 HydrophobicContact CG-CE1 4.33Å; E227-F250 HydrophobicContact CG-CE2 4.45Å; E227-F250 HydrophobicContact CG-CZ 3.56Å
228L95.8Very high92.9Very high66 Ų6659.3 Ų59.335%0.34628%0.28SS..Hα-helixtrans-60.3-44.2170.4-69.4177.7000111.6H224 E225 I230 Q231 Q232H224-L228 WeakPolarHBondContact O-CG 3.41Å; H224-L228 PolarHBondContact O-N 3.38Å; E225-L228 PolarHBondContact O-N 2.86Å; L228-I230 VanDerWaalsContact C-N 3.33Å; L228-I230 PolarHBondContact O-N 2.81Å; L228-Q231 PolarHBondContact O-N 2.88Å; L228-Q231 VanDerWaalsContact O-N 3.16Å; L228-Q232 WeakPolarHBondContact O-CB 3.44Å; L228-Q232 PolarHBondContact O-N 3.43Å
229A96.4Very high91.8Very high0 Ų062.6 Ų62.60%031%0.313CS..Hα-helixtrans-63.6-34.6177.400000113.4L174 F192 C195 F220 E225 F233L174-A229 HydrophobicContact CD1-CB 3.71Å; F192-A229 HydrophobicContact CD1-CB 3.95Å; F192-A229 HydrophobicContact CE1-CB 4.21Å; C195-A229 HydrophobicContact CB-CB 3.82Å; F220-A229 HydrophobicContact CD2-CB 4.44Å; F220-A229 HydrophobicContact CE2-CB 3.49Å; F220-A229 VanDerWaalsContact CE2-CB 3.49Å; F220-A229 HydrophobicContact CZ-CB 3.7Å; E225-A229 WeakPolarHBondContact O-CB 3.34Å; E225-A229 PolarHBondContact O-N 2.93Å; A229-F233 WeakPolarHBondContact O-CB 3.31Å; A229-F233 PolarHBondContact O-N 3.14Å; A229-F233 VanDerWaalsContact O-N 3.1Å
230I96Very high90.2Very high36 Ų3662.4 Ų62.419%0.18532%0.324CS..Hα-helixtrans-64.7-49.4169.9-70.3163000110.1L174 A226 E227 L228 Q232 N234 V248 F250L174-I230 HydrophobicContact CD1-CG1 4.41Å; L174-I230 HydrophobicContact CD2-CD1 3.6Å; L174-I230 HydrophobicContact CD2-CG1 3.7Å; A226-I230 WeakPolarHBondContact O-CG1 3.12Å; A226-I230 PolarHBondContact O-N 2.79Å; E227-I230 PolarHBondContact O-N 3.42Å; L228-I230 VanDerWaalsContact C-N 3.33Å; L228-I230 PolarHBondContact O-N 2.81Å; I230-Q232 PolarHBondContact O-N 2.87Å; I230-N234 HydrophobicContact CG2-CB 4.46Å; I230-N234 WeakPolarHBondContact O-CB 3.27Å; I230-N234 PolarHBondContact O-N 3.12Å; I230-V248 HydrophobicContact CG1-CG1 3.96Å; I230-F250 HydrophobicContact CD1-CD1 4.07Å; I230-F250 HydrophobicContact CD1-CD2 3.89Å; I230-F250 HydrophobicContact CD1-CE1 3.98Å; I230-F250 HydrophobicContact CD1-CE2 3.78Å; I230-F250 HydrophobicContact CD1-CG 4.06Å; I230-F250 HydrophobicContact CD1-CZ 3.85Å
231Q95.1Very high88.4Confident153 Ų15369.7 Ų69.772%0.71536%0.362SS*.Hα-helixtrans-63-39.2-177.7-69.7172.222.600112.8E227 L228E227-Q231 WeakPolarHBondContact O-CG 3.44Å; E227-Q231 PolarHBondContact O-N 2.69Å; L228-Q231 PolarHBondContact O-N 2.88Å; L228-Q231 VanDerWaalsContact O-N 3.16Å
232Q93.2Very high86.9Confident133 Ų13373.1 Ų73.162%0.62139%0.393SS*.Hα-helixtrans-81.4-37.4-175.8-172.36514.200113.5L228 I230L228-Q232 WeakPolarHBondContact O-CB 3.44Å; L228-Q232 PolarHBondContact O-N 3.43Å; I230-Q232 PolarHBondContact O-N 2.87Å
233F93.7Very high85.9Confident15 Ų1573.4 Ų73.47%0.06640%0.396CS..Hα-helixtrans-111.8-11-170.5-68.3-66.5000115.4L191 F192 C195 A229 G235 Y236 L246 V248L191-F233 HydrophobicContact CD1-CD1 4.35Å; L191-F233 HydrophobicContact CD1-CE1 3.6Å; L191-F233 HydrophobicContact CD1-CZ 4.03Å; L191-F233 HydrophobicContact CG-CD1 4.46Å; L191-F233 HydrophobicContact CG-CE1 4Å; L191-F233 HydrophobicContact CG-CZ 4.23Å; L191-F233 WeakPolarHBondContact O-CE2 3.45Å; L191-F233 WeakPolarHBondContact O-CZ 3.45Å; F192-F233 AromaticContact CD1-CD2 3.67Å; F192-F233 HydrophobicContact CD1-CD2 3.67Å; F192-F233 HydrophobicContact CD1-CE2 4.18Å; F192-F233 HydrophobicContact CD1-CG 4.4Å; F192-F233 HydrophobicContact CE1-CB 3.73Å; F192-F233 AromaticContact CE1-CD2 3.55Å; F192-F233 HydrophobicContact CE1-CD2 3.55Å; F192-F233 HydrophobicContact CE1-CE2 4.45Å; F192-F233 AromaticContact CE1-CG 3.88Å; F192-F233 HydrophobicContact CE1-CG 3.88Å; F192-F233 HydrophobicContact CG-CD2 4.27Å; F192-F233 HydrophobicContact CG-CE2 4.42Å; F192-F233 HydrophobicContact CZ-CB 3.71Å; F192-F233 HydrophobicContact CZ-CD2 4.05Å; F192-F233 AromaticContact CZ-CG 3.95Å; F192-F233 HydrophobicContact CZ-CG 3.95Å; C195-F233 VanDerWaalsContact SG-CE2 3.58Å; A229-F233 WeakPolarHBondContact O-CB 3.31Å; A229-F233 PolarHBondContact O-N 3.14Å; A229-F233 VanDerWaalsContact O-N 3.1Å; F233-G235 PolarHBondContact O-N 2.96Å; F233-Y236 AromaticContact CD1-CD1 3.91Å; F233-Y236 HydrophobicContact CD1-CD1 3.91Å; F233-Y236 HydrophobicContact CD1-CD2 4.46Å; F233-Y236 HydrophobicContact CD1-CE1 4.48Å; F233-Y236 AromaticContact CD1-CG 3.9Å; F233-Y236 HydrophobicContact CD1-CG 3.9Å; F233-Y236 HydrophobicContact CE1-CD1 4.31Å; F233-Y236 HydrophobicContact CE1-CE1 4.44Å; F233-Y236 HydrophobicContact CE1-CG 4.46Å; F233-Y236 VanDerWaalsContact O-CB 3.31Å; F233-Y236 WeakPolarHBondContact O-CB 3.34Å; F233-Y236 PolarHBondContact O-N 2.92Å; F233-Y236 VanDerWaalsContact O-N 3.11Å; F233-L246 WeakPolarHBondContact O-CB 3.38Å; F233-V248 HydrophobicContact CB-CG2 3.91Å
234N93Very high85.3Confident86 Ų8672.3 Ų72.346%0.4640%0.404SS..THydrogen-bonded Turntrans-70.9114.7173.1-172.862.7000110.7I230 I247 V248I230-N234 HydrophobicContact CG2-CB 4.46Å; I230-N234 WeakPolarHBondContact O-CB 3.27Å; I230-N234 PolarHBondContact O-N 3.12Å; N234-I247 WeakPolarHBondContact OD1-CA 3.46Å; N234-V248 HydrophobicContact CB-CB 4.09Å; N234-V248 PolarHBondContact OD1-N 3.39Å; N234-V248 PolarHBondContact OD1-O 2.74Å
235G90.4Very high85.1Confident47 Ų4769 Ų6949%0.48539%0.392SS..THydrogen-bonded Turntrans97.6-12.7-17200000114.5F233 P245 L246F233-G235 PolarHBondContact O-N 2.96Å; G235-P245 WeakPolarHBondContact O-CB 3.4Å; G235-L246 PolarHBondContact N-O 3.31Å
236Y89.8Confident85Confident115 Ų11567.5 Ų67.545%0.45139%0.386SS..  trans-66.7144.8178.8-174.5-97.6000111.5L191 F233 V238 L246L191-Y236 HydrophobicContact CD1-CE1 4.21Å; F233-Y236 AromaticContact CD1-CD1 3.91Å; F233-Y236 HydrophobicContact CD1-CD1 3.91Å; F233-Y236 HydrophobicContact CD1-CD2 4.46Å; F233-Y236 HydrophobicContact CD1-CE1 4.48Å; F233-Y236 AromaticContact CD1-CG 3.9Å; F233-Y236 HydrophobicContact CD1-CG 3.9Å; F233-Y236 HydrophobicContact CE1-CD1 4.31Å; F233-Y236 HydrophobicContact CE1-CE1 4.44Å; F233-Y236 HydrophobicContact CE1-CG 4.46Å; F233-Y236 VanDerWaalsContact O-CB 3.31Å; F233-Y236 WeakPolarHBondContact O-CB 3.34Å; F233-Y236 PolarHBondContact O-N 2.92Å; F233-Y236 VanDerWaalsContact O-N 3.11Å; Y236-V238 HydrophobicContact CD1-CG2 3.85Å; Y236-V238 HydrophobicContact CE1-CG2 3.93Å; Y236-L246 WeakPolarHBondContact O-CB 3.47Å; Y236-L246 WeakPolarHBondContact O-CG 3.46Å; Y236-L246 PolarHBondContact O-N 3.44Å
237R86.5Confident84.9Confident124 Ų12471.8 Ų71.847%0.46841%0.407SS..  trans-106.8120.5176.9-68.7-177.7-170.1-110.75.9110.3I241 D243 P245R237-I241 PolarHBondContact NH1-O 3.42Å; R237-D243 PolarHBondContact NH1-O 2.96Å; R237-P245 HydrophobicContact CG-CB 4.23Å
238V79.3Confident84.9Confident23 Ų2369.7 Ų69.714%0.13940%0.398CS..  trans-96.7111.8173.7-177.20000107.9P180 M183 L191 Y236 L246P180-V238 HydrophobicContact CG-CB 4.13Å; P180-V238 HydrophobicContact CG-CG1 4.03Å; P180-V238 WeakPolarHBondContact CG-O 3.47Å; M183-V238 HydrophobicContact CE-CG1 3.91Å; M183-V238 HydrophobicContact SD-CG1 4.09Å; L191-V238 HydrophobicContact CD2-CG2 3.45Å; L191-V238 VanDerWaalsContact CD2-CG2 3.45Å; Y236-V238 HydrophobicContact CD1-CG2 3.85Å; Y236-V238 HydrophobicContact CE1-CG2 3.93Å; V238-L246 HydrophobicContact CG2-CD1 3.67Å; V238-L246 HydrophobicContact CG2-CD2 4.1Å; V238-L246 HydrophobicContact CG2-CG 3.93Å
239G72.7Confident84.9Confident68 Ų6871.8 Ų71.870%0.70140%0.404SS*.SBendtrans110.8-136.2-179.700000112.9
240S61Low84.8Confident74 Ų7475.7 Ų75.752%0.51742%0.421SS..SBendtrans-82.1164.3-176.8-172.10000112.2A242 D243S240-A242 PolarHBondContact O-N 2.86Å; S240-A242 VanDerWaalsContact O-N 3.16Å; S240-D243 WeakPolarHBondContact CB-OD2 3.39Å; S240-D243 PolarHBondContact N-OD2 3.35Å; S240-D243 WeakPolarHBondContact O-CB 3.44Å; S240-D243 PolarHBondContact O-N 3.27Å
241I58.3Low84.6Confident153 Ų15374.8 Ų74.879%0.78542%0.419SS*.THydrogen-bonded Turntrans-59-27.7174.2-61.4170.8000111.3R237 D243R237-I241 PolarHBondContact NH1-O 3.42Å; I241-D243 VanDerWaalsContact C-N 3.34Å
242A58.4Low84.2Confident93 Ų9374.7 Ų74.777%0.76942%0.423SS*.THydrogen-bonded Turntrans-73.4-19.7175.600000114.2S240S240-A242 PolarHBondContact O-N 2.86Å; S240-A242 VanDerWaalsContact O-N 3.16Å
243D70.9Confident83.2Confident59 Ų5975 Ų7532%0.31643%0.428SS..SBendtrans-73.6145.8-179-70.4-60.7000111.2R237 S240 I241R237-D243 PolarHBondContact NH1-O 2.96Å; S240-D243 WeakPolarHBondContact CB-OD2 3.39Å; S240-D243 PolarHBondContact N-OD2 3.35Å; S240-D243 WeakPolarHBondContact O-CB 3.44Å; S240-D243 PolarHBondContact O-N 3.27Å; I241-D243 VanDerWaalsContact C-N 3.34Å
244S80.5Confident81.7Confident77 Ų7779.5 Ų79.554%0.53846%0.458SS..PPolyproline II helixtrans-64.8142.8-178.2-67.40000111.2
245P90.1Very high79.7Confident49 Ų4980.4 Ų80.432%0.31847%0.467SS..PPolyproline II helixtrans-63.7141.6172.729-34000110.2G235 R237 I247G235-P245 WeakPolarHBondContact O-CB 3.4Å; R237-P245 HydrophobicContact CG-CB 4.23Å; P245-I247 PolarHBondContact O-N 3.23Å
246L93Very high77.4Confident1 Ų181.7 Ų81.71%0.00547%0.469CS..PPolyproline II helixtrans-62.1134.1173.8-65.3-167000110I176 C177 L179 L191 F192 F233 G235 Y236 V238 V248I176-L246 HydrophobicContact CG2-CD1 4.49Å; I176-L246 HydrophobicContact CG2-CD2 4.43Å; C177-L246 CarbonylContact O-C 3.58Å; C177-L246 VanDerWaalsContact O-CA 3.31Å; C177-L246 WeakPolarHBondContact O-CA 3.16Å; L179-L246 HydrophobicContact CD2-CD2 3.83Å; L191-L246 HydrophobicContact CD2-CD1 4.2Å; F192-L246 HydrophobicContact CE2-CD1 4.2Å; F192-L246 HydrophobicContact CZ-CD1 4.16Å; F233-L246 WeakPolarHBondContact O-CB 3.38Å; G235-L246 PolarHBondContact N-O 3.31Å; Y236-L246 WeakPolarHBondContact O-CB 3.47Å; Y236-L246 WeakPolarHBondContact O-CG 3.46Å; Y236-L246 PolarHBondContact O-N 3.44Å; V238-L246 HydrophobicContact CG2-CD1 3.67Å; V238-L246 HydrophobicContact CG2-CD2 4.1Å; V238-L246 HydrophobicContact CG2-CG 3.93Å; L246-V248 HydrophobicContact CB-CG2 4.11Å
247I93.7Very high74.9Confident89 Ų8982.7 Ų82.746%0.45648%0.482SS..EExtended strand (participates in β ladder)trans-107.1104.6169.4-58.7172.6000106.5I176 C177 N234 P245I176-I247 WeakPolarHBondContact CA-O 3.4Å; C177-I247 HydrophobicContact CB-CB 3.85Å; C177-I247 HydrophobicContact CB-CD1 4.49Å; C177-I247 PolarHBondContact N-O 2.99Å; C177-I247 PolarHBondContact O-N 2.69Å; N234-I247 WeakPolarHBondContact OD1-CA 3.46Å; P245-I247 PolarHBondContact O-N 3.23Å
248V95.5Very high72.6Confident2 Ų285.6 Ų85.61%0.01250%0.498CS..EExtended strand (participates in β ladder)trans-108.3120.2-177.4-173.20000108.3L174 I176 F192 I230 F233 N234 L246L174-V248 HydrophobicContact CD1-CG1 3.79Å; I176-V248 HydrophobicContact CG1-CG1 4.3Å; I176-V248 HydrophobicContact CG1-CG2 4.44Å; I176-V248 HydrophobicContact CG2-CG2 4.33Å; F192-V248 HydrophobicContact CE1-CG1 4.12Å; F192-V248 HydrophobicContact CE1-CG2 4.2Å; F192-V248 HydrophobicContact CZ-CG2 3.88Å; I230-V248 HydrophobicContact CG1-CG1 3.96Å; F233-V248 HydrophobicContact CB-CG2 3.91Å; N234-V248 HydrophobicContact CB-CB 4.09Å; N234-V248 PolarHBondContact OD1-N 3.39Å; N234-V248 PolarHBondContact OD1-O 2.74Å; L246-V248 HydrophobicContact CB-CG2 4.11Å
249K94.8Very high70.5Confident110 Ų11091.7 Ų91.748%0.47853%0.53SS..EExtended strand (participates in β ladder)trans-148.5164.8-178.562.2-179.1179.1-176.60111.1L174 Y175 A251L174-K249 CarbonylContact C-O 3.54Å; L174-K249 WeakPolarHBondContact CA-O 3.47Å; Y175-K249 HydrophobicContact CD1-CD 4.45Å; Y175-K249 VanDerWaalsContact CD1-CE 3.46Å; Y175-K249 HydrophobicContact CD1-CG 4.17Å; Y175-K249 PolarHBondContact N-O 3.2Å; Y175-K249 PolarHBondContact O-N 3.18Å; K249-A251 PolarHBondContact O-N 3.34Å
250F95.2Very high68.5Low83 Ų8391.3 Ų91.336%0.36453%0.526SS..EExtended strand (participates in β ladder)trans-57.5136.2169.3-67-64.8000111.6G171 L174 A226 E227 I230G171-F250 WeakPolarHBondContact O-CD1 3.46Å; G171-F250 WeakPolarHBondContact O-CE1 3.33Å; L174-F250 HydrophobicContact CD2-CD1 3.98Å; L174-F250 HydrophobicContact CD2-CE1 4.38Å; A226-F250 HydrophobicContact CB-CE1 4.38Å; E227-F250 HydrophobicContact CG-CE1 4.33Å; E227-F250 HydrophobicContact CG-CE2 4.45Å; E227-F250 HydrophobicContact CG-CZ 3.56Å; I230-F250 HydrophobicContact CD1-CD1 4.07Å; I230-F250 HydrophobicContact CD1-CD2 3.89Å; I230-F250 HydrophobicContact CD1-CE1 3.98Å; I230-F250 HydrophobicContact CD1-CE2 3.78Å; I230-F250 HydrophobicContact CD1-CG 4.06Å; I230-F250 HydrophobicContact CD1-CZ 3.85Å
251A92.6Very high67.3Low16 Ų1695.3 Ų95.313%0.13254%0.54CS..PPolyproline II helixtrans-78.1138.2173.300000110.5N173 F217 K249 I253N173-A251 HydrophobicContact CB-CB 4.37Å; N173-A251 WeakPolarHBondContact ND2-CB 3.42Å; N173-A251 WeakPolarHBondContact O-CB 3.46Å; N173-A251 PolarHBondContact O-N 2.95Å; F217-A251 HydrophobicContact CD1-CB 4Å; F217-A251 HydrophobicContact CE1-CB 3.97Å; K249-A251 PolarHBondContact O-N 3.34Å; A251-I253 PolarHBondContact O-N 2.94Å
252N85.9Confident66.1Low151 Ų15194 Ų9481%0.80754%0.539SS*.PPolyproline II helixtrans-57.2138.2169.8-67.9-20.5000110.3P254N252-P254 WeakPolarHBondContact O-CD 3.23Å
253I72.2Confident64.8Low141 Ų14196.4 Ų96.472%0.72354%0.539SS*.PPolyproline II helixtrans-59.2124.3173.4-56.7175.1000108.1A251 T255A251-I253 PolarHBondContact O-N 2.94Å; I253-T255 HydrophobicContact CG2-CG2 4.29Å; I253-T255 PolarHBondContact O-N 3.27Å
254P61.2Low63Low108 Ų10899.4 Ų99.470%0.70156%0.56SS**  trans-78.968.3-173.531.9-36.3000111.9N252 S256N252-P254 WeakPolarHBondContact O-CD 3.23Å; P254-S256 PolarHBondContact O-N 2.97Å
255T51Low60.9Low105 Ų105101.7 Ų101.764%0.64457%0.57SS**  trans-72.4116.5170.547.30000109.9I253 N257I253-T255 HydrophobicContact CG2-CG2 4.29Å; I253-T255 PolarHBondContact O-N 3.27Å; T255-N257 VanDerWaalsContact C-N 3.28Å; T255-N257 PolarHBondContact O-N 3.1Å
256S42.3Very low58.1Low75 Ų75106.1 Ų106.152%0.52459%0.591SS.*SBendtrans-7869.4-173.9-55.70000113.1P254P254-S256 PolarHBondContact O-N 2.97Å
257N37.1Very low55.3Low135 Ų135111.9 Ų111.972%0.72263%0.629SS**  trans176.794.6142.6-91.9-18.1000111.4T255T255-N257 VanDerWaalsContact C-N 3.28Å; T255-N257 PolarHBondContact O-N 3.1Å
258K38.8Very low52.3Low185 Ų185116.3 Ų116.380%0.80465%0.649SS**  trans-104.282.4156.8-91-160.4171.4-165.80109.8
259N35.5Very low49.5Very low151 Ų151123.4 Ų123.481%0.80769%0.686SS**  trans-79.3118.6159.9-78.38.4000108.3
260G31Very low46.6Very low60 Ų60124 Ų12462%0.61970%0.699SS**SBendtrans91.8129.616500000116.9
261I34.6Very low43.7Very low159 Ų159125.7 Ų125.782%0.81572%0.721SS**  trans53.798.8138.9-43.6169.7000117
262T33.1Very low41Very low124 Ų124129.7 Ų129.776%0.76175%0.748SS**  -171.7113.8110.240.60000110.3
263N31.7Very low38.7Very low144 Ų144128.8 Ų128.877%0.7775%0.748SS**  trans-9.7121.8166.3-53.7-5.7000118.5
264T33.1Very low36.9Very low122 Ų122128.1 Ų128.175%0.74875%0.753SS**  trans-66.8128.4148.4-57.70000109N266T264-N266 WeakPolarHBondContact CG2-OD1 3.29Å
265V36.2Very low35.6Very low126 Ų126129.3 Ų129.376%0.76476%0.759SS**  trans-12199162.8-81.80000109.4
266N32.6Very low35.1Very low142 Ų142132.2 Ų132.276%0.75976%0.764SS**  trans-82.3125.4162-67.9-0.6000107.5T264T264-N266 WeakPolarHBondContact CG2-OD1 3.29Å
267P32.7Very low34.9Very low121 Ų121134.9 Ų134.979%0.78677%0.773SS**  trans-80.2170.2167.334.3-34.3000111.3
268M31.7Very low34.9Very low182 Ų182134.5 Ų134.590%0.89777%0.771SS**  trans68.5142.6178.4-97.7-179.2169.600115
269I36.6Very low35Very low152 Ų152129.6 Ų129.678%0.77976%0.76SS**  cis-127.3160.27.3-58.3177.8000110.5
270T33.1Very low35.2Very low123 Ų123128.5 Ų128.576%0.75575%0.754SS**  trans-79.9166.2-174.247.30000117.3
271S34.8Very low35.6Very low117 Ų117131.6 Ų131.682%0.81876%0.756SS**  trans97.5139.9158.979.40000116.9
272S37Very low35.9Very low101 Ų101129.9 Ų129.971%0.70675%0.749SS**  cis-149.1150.37.146.20000115.5
273T36.6Very low36.1Very low132 Ų132131.9 Ų131.981%0.8176%0.755SS**  trans47.4119.2148.1530000123.3
274P34.3Very low36.4Very low127 Ų127128.5 Ų128.583%0.82575%0.754SS**  trans-116.3177.6168.942.3-32.8000115
275T34Very low36.6Very low133 Ų133129.5 Ų129.582%0.81676%0.755SS**  trans-147141.5169.744.40000114.2
276H40.4Very low36.8Very low166 Ų166129.6 Ų129.677%0.76975%0.75SS**  trans29.5147.3157.7-70.4-45.3000122.3
277N38.8Very low36.9Very low130 Ų130128.7 Ų128.770%0.69575%0.745SS**  cis-174.2-179.75.7-106.1-9.7000108.8
278N36.9Very low36.7Very low127 Ų127132.2 Ų132.268%0.67974%0.744SS**  cis179.7150.5-28.9174.624.3000109.9
279S40.4Very low36.7Very low83 Ų83131.9 Ų131.958%0.5874%0.74SS**  trans71149.3159.6-710000119.5
280N38.8Very low36.3Very low128 Ų128130.4 Ų130.468%0.68473%0.734SS**  cis-167.1163-8.9-115.2-10.1000114.1
281N40.1Very low36.4Very low124 Ų124132.9 Ų132.966%0.66374%0.737SS**  trans70.3151.8155.5-59.8-16.1000120.6
282N40.2Very low36.3Very low123 Ų123133.4 Ų133.466%0.65874%0.735SS**  cis-170.6154.9-21.9-99-19.7000112.8
283N38.8Very low35.9Very low166 Ų166137 Ų13789%0.88874%0.743SS**  trans67.8148.5169.1-47-28.9000116.3
284G38.1Very low36Very low73 Ų73136.9 Ų136.975%0.75374%0.742SS**  cis162.3168.1-2.700000109.9
285N35.9Very low36.2Very low144 Ų144135.5 Ų135.577%0.7773%0.732SS**  cis-170.1163.1-8.8-166.918.7000112.4
286I40.6Very low36.1Very low127 Ų127135.6 Ų135.665%0.65173%0.727SS**  trans57120.7160.650.3173.8000126.6
287N34.6Very low35.9Very low123 Ų123132.5 Ų132.566%0.65872%0.723SS**  97.6110.2123-71.8-1.5000125.9
288Y29Very low36.1Very low195 Ų195129.7 Ų129.777%0.76571%0.714SS**  trans36.2133.4132.4-64.1-82.7000124
289Q32.1Very low36.4Very low176 Ų176128.9 Ų128.982%0.82271%0.709SS**  -158153108.4-97.8-71-15.600109.8
290N28Very low36.9Very low121 Ų121130.7 Ų130.765%0.64771%0.711SS**  trans-115.9141.6178.8-79.8-54.3000110.4
291Q34.6Very low37.4Very low174 Ų174130.1 Ų130.181%0.81371%0.708SS**  trans167.9175.1131-93.5160.498.900114.8
292T33.6Very low37.6Very low129 Ų129129.8 Ų129.879%0.79171%0.705SS**  trans65.897.4165.953.70000119.6
293M27.9Very low37.9Very low176 Ų176130.5 Ų130.587%0.86771%0.709SS**  26.8118.7115.2-72.1-80-7800118.8
294T38.8Very low38.5Very low129 Ų129129.7 Ų129.779%0.79170%0.698SS**  -167.3155.9121.1-76.30000109.5L296T294-L296 PolarHBondContact O-N 3.27Å
295T38.1Very low38.9Very low99 Ų99132.7 Ų132.761%0.60770%0.696SS**  trans-63.3114.9-173.744.60000113.6S297 S298T295-S297 PolarHBondContact O-N 2.83Å; T295-S297 VanDerWaalsContact O-N 3.1Å; T295-S298 PolarHBondContact O-N 3.07Å
296L32.1Very low39.2Very low135 Ų135129.4 Ų129.471%0.70769%0.689SS**G310 helixtrans-65.4-16.4-172.8-129.5154.6000114.3T294 S298T294-L296 PolarHBondContact O-N 3.27Å; L296-S298 PolarHBondContact O-N 3.29Å
297S37.6Very low39.5Very low100 Ų100131.8 Ų131.870%0.69970%0.699SS**G310 helixtrans-62.7-25.6174.4-51.40000113.9T295T295-S297 PolarHBondContact O-N 2.83Å; T295-S297 VanDerWaalsContact O-N 3.1Å
298S42.5Very low40.1Very low71 Ų71133.1 Ų133.150%0.49770%0.699SS.*G310 helixtrans-77.2-30.5-175-55.60000113.3T295 L296 I300T295-S298 PolarHBondContact O-N 3.07Å; L296-S298 PolarHBondContact O-N 3.29Å; S298-I300 PolarHBondContact O-N 2.88Å
299L42.8Very low40.5Very low110 Ų110127.5 Ų127.558%0.57669%0.694SS**THydrogen-bonded Turntrans-76.9-21.9-172.4-75.7163.1000113.8N301 L302L299-N301 VanDerWaalsContact C-N 3.26Å; L299-N301 PolarHBondContact O-N 3.45Å; L299-L302 HydrophobicContact CD2-CD1 4.44Å; L299-L302 PolarHBondContact O-N 2.97Å
300I49.9Very low41Very low122 Ų122126.8 Ų126.863%0.62670%0.695SS**THydrogen-bonded Turntrans-68.4-24.4-179-65.8175.7000112.1S298S298-I300 PolarHBondContact O-N 2.88Å
301N49.1Very low41.6Very low116 Ų116127.7 Ų127.762%0.6270%0.696SS**THydrogen-bonded Turntrans-79.8-28.4179.3-78.4-23.5000113.9L299 K304 L305L299-N301 VanDerWaalsContact C-N 3.26Å; L299-N301 PolarHBondContact O-N 3.45Å; N301-K304 WeakPolarHBondContact O-CB 3.48Å; N301-K304 PolarHBondContact O-N 2.8Å; N301-L305 PolarHBondContact O-N 2.81Å
302L44.5Very low41.7Very low116 Ų116127.3 Ų127.361%0.60770%0.698SS**Hα-helixtrans-69.5-43.2-176.9-71.6170.9000112.3L299 K304 L305 A306L299-L302 HydrophobicContact CD2-CD1 4.44Å; L299-L302 PolarHBondContact O-N 2.97Å; L302-K304 PolarHBondContact O-N 2.84Å; L302-K304 VanDerWaalsContact O-N 3.13Å; L302-L305 PolarHBondContact O-N 2.87Å; L302-L305 VanDerWaalsContact O-N 3.12Å; L302-A306 PolarHBondContact O-N 3.04Å
303N48.2Very low41.6Very low138 Ų138130.5 Ų130.574%0.73870%0.704SS**Hα-helixtrans-66.7-11.9174.5-79.5-30.5000113.9
304K50.8Low42Very low149 Ų149127.4 Ų127.465%0.64870%0.7SS**Hα-helixtrans-88.2-19.9174.7-124175.7-175.8176.90113.5N301 L302N301-K304 WeakPolarHBondContact O-CB 3.48Å; N301-K304 PolarHBondContact O-N 2.8Å; L302-K304 PolarHBondContact O-N 2.84Å; L302-K304 VanDerWaalsContact O-N 3.13Å
305L47.1Very low41.6Very low136 Ų136130.6 Ų130.671%0.71271%0.708SS**Hα-helixtrans-84.9-33.2178.2-15367.8000111.7N301 L302 M307 K308N301-L305 PolarHBondContact O-N 2.81Å; L302-L305 PolarHBondContact O-N 2.87Å; L302-L305 VanDerWaalsContact O-N 3.12Å; L305-M307 PolarHBondContact O-N 3.26Å; L305-M307 VanDerWaalsContact O-N 3.15Å; L305-K308 PolarHBondContact O-N 3Å
306A42.2Very low41.5Very low76 Ų76134.5 Ų134.563%0.62872%0.722SS**THydrogen-bonded Turntrans-62.1-19.8-17900000115.2L302L302-A306 PolarHBondContact O-N 3.04Å
307M45Very low41.8Very low176 Ų176134.9 Ų134.987%0.86773%0.73SS**THydrogen-bonded Turntrans-98.111.3180-87.2-169.7164.200115L305L305-M307 PolarHBondContact O-N 3.26Å; L305-M307 VanDerWaalsContact O-N 3.15Å
308K47.3Very low41.7Very low151 Ų151135.8 Ų135.866%0.65773%0.733SS**SBendtrans-107.92.5176.2-154.463.6-160.81520115L305 E311L305-K308 PolarHBondContact O-N 3Å; K308-E311 IonicContact NZ-OE2 3.22Å; K308-E311 PolarHBondContact NZ-OE2 2.68Å
309A39.2Very low41.3Very low78 Ų78141.1 Ų141.165%0.64575%0.75SS**SBendtrans-93.5-17.2-172.600000116.1
310N41.3Very low40.9Very low161 Ų161143.2 Ų143.286%0.86176%0.761SS**SBendtrans-106.515.7-167.6-79.55.3000115.8
311E40.9Very low40Very low140 Ų140145 Ų14565%0.65477%0.772SS**SBendtrans-98.88.7-179.4-80.4-173.412400114.8K308K308-E311 IonicContact NZ-OE2 3.22Å; K308-E311 PolarHBondContact NZ-OE2 2.68Å
312L36Very low39.2Very low165 Ų165145.3 Ų145.386%0.86477%0.773SS**SBendtrans-123.153.1-176.1-70.3177.9000113.8
313Q32Very low38.8Very low197 Ų197147.8 Ų147.892%0.92178%0.779SS**SBendtrans-155.333.7175.7-123.8162.936.800116.7
314S37.3Very low38.1Very low110 Ų110147.7 Ų147.777%0.76978%0.778SS**  trans-139.433.3-176.959.40000116.8
315M30.7Very low37.4Very low196 Ų196146.8 Ų146.897%0.96678%0.781SS**  trans-131.1103.6159.3-75.8-166.9169.800110.8
316M34.5Very low36.8Very low182 Ų182145.2 Ų145.290%0.89778%0.781SS**  trans-97.3120.9175.1-71.3169.956.500111
317T38.3Very low36.6Very low142 Ų142146.2 Ų146.287%0.87178%0.779SS**  trans-149.7116.2147.832.80000108.8
318P36.6Very low36Very low120 Ų120148 Ų14878%0.77978%0.778SS**  trans-104.2144-176.736.8-30.9000113.3
319E32.8Very low35.2Very low183 Ų183148.4 Ų148.486%0.85579%0.787SS**  trans-160.1164.4153.7-135175.2-173.500113.3
320L35.9Very low34.9Very low154 Ų154151.1 Ų151.181%0.80679%0.79SS**  trans68.359.1168.3-51.9-171.3000119.8
321L30.6Very low34.5Very low160 Ų160152.1 Ų152.184%0.83879%0.787SS**  3.4122.6125.3-166.183.6000118.3
322N32.6Very low34Very low121 Ų121152.5 Ų152.565%0.64779%0.794SS**  150149106.6-147.9-5.8000115
323K36.6Very low33.8Very low168 Ų168150.7 Ų150.773%0.7379%0.79SS**  trans71.8110.4167.6-65.1-180-176.5-179.20116.8
324N33.1Very low33.7Very low136 Ų136147.2 Ų147.273%0.72778%0.782SS**  82.9134.180-80.150.3000112
325D34.6Very low33.5Very low131 Ų131148.7 Ų148.770%0.70179%0.787SS**  cis-146.8161.316.1-76.6-55.8000113.9
326S36.3Very low33.5Very low102 Ų102145.6 Ų145.671%0.71378%0.779SS**  trans34146.1138.7810000122.5
327T36.2Very low33.7Very low97 Ų97142.1 Ų142.160%0.59577%0.77SS**  cis-171.1167.814.3-7.30000114.3
328Y33.1Very low33.4Very low213 Ų213143.9 Ų143.984%0.83577%0.768SS**  trans77.9116.5153.5-59.4-52.6000122.6
329D31Very low33Very low160 Ų160145 Ų14586%0.85677%0.766SS**  trans-82.9174.8159.3-52.3-92.1000113.2
330L33.2Very low33Very low136 Ų136144 Ų14471%0.71277%0.765SS**  164.8125.2109.7-173.963.6000113.2
331F33Very low32.7Very low182 Ų182142 Ų14280%0.79876%0.759SS**  156.8135.2128.5-92.9-66.8000113.3
332N28.7Very low32.7Very low148 Ų148140.9 Ų140.979%0.79175%0.754SS**  trans-159.4124.3177.5-179.822.3000109.6
333T31.8Very low32.9Very low127 Ų127140.5 Ų140.578%0.77976%0.761SS**  trans-153.5137.7177.648.50000112.5
334T30.1Very low32.8Very low124 Ų124136.4 Ų136.476%0.76177%0.766SS**  trans-132.9130.6-178.9-55.80000110.3
335T32.9Very low32.8Very low140 Ų140137.9 Ų137.986%0.85977%0.774SS**  trans-150.3162.2164.5-18.70000111.8
336T32.2Very low32.8Very low131 Ų131134.6 Ų134.680%0.80477%0.771SS**  trans-124.1177.9-16015.90000113.1
337P37Very low32.8Very low109 Ų109139.8 Ų139.871%0.70878%0.781SS**  trans-102175.4-14241.1-40.5000117
338Q33.3Very low32.4Very low179 Ų179142.7 Ų142.784%0.83679%0.793SS**  trans-140.9169.3159.8-88.5-55.8-25.700113.2
339I28.5Very low32.5Very low144 Ų144139.6 Ų139.674%0.73880%0.796SS**  trans-110.6153.3-169.1-52.7166.3000110.4
340I33.1Very low32.6Very low163 Ų163139.8 Ų139.884%0.83679%0.792SS**  trans165.9170.6138.6-84.7159000111.2
341T29.6Very low32.6Very low111 Ų111144.8 Ų144.868%0.68180%0.802SS**  trans-101.4166.6-154.354.40000116.6
342D30.6Very low32.7Very low137 Ų137143 Ų14373%0.73380%0.799SS**  128.3134.5121.2-99.1-56.1000122.4
343S35Very low32.7Very low113 Ų113139.9 Ų139.979%0.7980%0.802SS**  trans69.4114.7143.5-720000124.7
344G36.1Very low32.8Very low81 Ų81137.5 Ų137.584%0.83580%0.802SS**  trans111148.4139.100000118.3
345N32.9Very low33.1Very low168 Ų168137.1 Ų137.190%0.89880%0.802SS**  cis-163.9146.2-15.2-167.13.2000111.8
346G34.4Very low33Very low62 Ų62137.9 Ų137.964%0.63980%0.799SS**  trans87.2145.3165.400000116.8
347K35.8Very low32.9Very low211 Ų211139.6 Ų139.692%0.91780%0.797SS**  cis-143.3135.2-2.2-66.1177.7-178.8173.10110.4
348N28.5Very low32.7Very low158 Ų158138.9 Ų138.985%0.84579%0.793SS**  trans-110.9144.5170.1-84.1-22.3000110.8
349T35.1Very low32.6Very low148 Ų148136.4 Ų136.491%0.90879%0.79SS**  trans-140.9120.2158.3490000110.2
350Q32.1Very low32.8Very low163 Ų163133.8 Ų133.876%0.76279%0.79SS**  trans-138.1120.3-171.4-178.6-175.219.800110
351R33.1Very low32.7Very low242 Ų242131.4 Ų131.491%0.91378%0.783SS**  trans-145.7111.9164.8-65.1-172.6-178.2-95-1.1106.6
352I35.9Very low32.7Very low145 Ų145134.2 Ų134.274%0.74479%0.788SS**  76.397.157-57.8166.2000112.4
353G29.1Very low32.8Very low82 Ų82137.3 Ų137.385%0.84580%0.795SS**  trans65.9120.9130.600000121.4
354G34.3Very low32.4Very low77 Ų77139.1 Ų139.179%0.79480%0.795SS**  trans-177.7129.2165.400000112
355P35.6Very low32.1Very low115 Ų115145.8 Ų145.875%0.74780%0.795SS**  trans-122.5163.8-167.143.1-33.3000117
356I31.3Very low32Very low156 Ų156145.9 Ų145.980%0.879%0.788SS**  trans61.7116.9154.9-59.1150000118.9
357H30.1Very low31.9Very low167 Ų167149.6 Ų149.677%0.77379%0.793SS**  -175.5144.6112.2-157.1-92.1000112
358P32.3Very low31.8Very low95 Ų95144.8 Ų144.862%0.61778%0.783SS**  trans-96.2-177.5174.937.4-36.9000114.7
359T32.1Very low32Very low126 Ų126145.3 Ų145.377%0.77379%0.785SS**  trans107.6155.1165.3-43.60000116.2
360A30.8Very low31.9Very low90 Ų90145.8 Ų145.874%0.74478%0.782SS**  trans73.595.2-169.700000114.7
361V31.8Very low31.8Very low112 Ų112141.4 Ų141.468%0.67978%0.78SS**  cis83.213633-167.70000114.4
362H30Very low31.8Very low171 Ų171135.8 Ų135.879%0.79278%0.777SS**  trans85.8138.7-177.4-47.899.7000115.2
363K31.9Very low31.5Very low202 Ų202133.7 Ų133.788%0.87878%0.782SS**  cis-138.3139.48.1-133.3166.6-172.2174.70110.6
364L27.5Very low31.6Very low151 Ų151137.4 Ų137.479%0.79178%0.78SS**  trans-87147.3-173.2-68.9161.7000113.3F366L364-F366 HydrophobicContact CD1-CE2 4.29Å; L364-F366 HydrophobicContact CD2-CE2 4.37Å
365R30.3Very low31.5Very low221 Ų221139.2 Ų139.283%0.83478%0.778SS**  trans-143116143.7-162.8176.7-169.1-163.51.4108.8
366F31Very low31.3Very low170 Ų170140.1 Ų140.175%0.74678%0.781SS**  trans-70.1145.3179.2-85.7-101.8000111.5L364L364-F366 HydrophobicContact CD1-CE2 4.29Å; L364-F366 HydrophobicContact CD2-CE2 4.37Å
367N32Very low31.3Very low139 Ų139143.6 Ų143.674%0.74378%0.784SS**  trans-133.9122.4150.8-159.236.5000107.2L369N367-L369 PolarHBondContact O-N 3.24Å
368P32.3Very low31.4Very low110 Ų110142.9 Ų142.971%0.71478%0.784SS**SBendtrans-91.684.3-165.734.4-34.3000112.3
369L34.1Very low31.3Very low170 Ų170145.2 Ų145.289%0.8979%0.792SS**SBendtrans-172.939.1163.6-109.1165.5000113.1N367N367-L369 PolarHBondContact O-N 3.24Å
370D32.5Very low31.2Very low157 Ų157144.1 Ų144.184%0.8479%0.787SS**  trans-134.6145.2-174.3-109.8-49.2000114.1
371G30.4Very low31.4Very low71 Ų71148.5 Ų148.573%0.73279%0.789SS**  trans-133.3-7.3-164.200000117.6
372C32.5Very low31.5Very low124 Ų124150.6 Ų150.684%0.83880%0.797SS**  trans-172143.2163.7-103.60000111.9
373A29.5Very low31.6Very low102 Ų102147.1 Ų147.184%0.84379%0.791SS**  trans-139.5136.4172.500000110.8
374I31.6Very low31.7Very low159 Ų159144 Ų14482%0.81578%0.783SS**  trans-136.7137179.5-64.5-175.6000108.1
375P31.5Very low31.9Very low116 Ų116144.2 Ų144.275%0.75379%0.785SS**PPolyproline II helixtrans-88.8148.6-156.733.5-37.2000115.6
376V32.3Very low32.1Very low133 Ų133140.7 Ų140.781%0.80678%0.778SS**PPolyproline II helixtrans-73.7126.5167.5177.40000109.9
377R30.9Very low32.2Very low229 Ų229139.8 Ų139.886%0.86478%0.781SS**PPolyproline II helixtrans-88.4121.7163.7-75.4-148.9-73.9-173.5-5.1110.2
378I31.1Very low32.4Very low152 Ų152138.6 Ų138.678%0.77978%0.783SS**PPolyproline II helixtrans-79.9127.4167.2-59.6170.9000107.8
379N31.2Very low32.4Very low145 Ų145140.8 Ų140.878%0.77579%0.787SS**  trans-107.3148.5162.5-103.310.1000108.8
380P30.8Very low32.4Very low102 Ų102139 Ų13966%0.66278%0.779SS**  trans-116.663.6-150.339.1-25.5000114.7
381F33.8Very low32.4Very low183 Ų183138.4 Ų138.480%0.80378%0.775SS**  trans-146.7137.1161.3-61.4-83.9000105.6
382D33.8Very low32.4Very low156 Ų156142.3 Ų142.383%0.83478%0.779SS**  cis-126.8-173.521.2-87.8-58000114.9
383S33.1Very low32.4Very low97 Ų97142.3 Ų142.368%0.67878%0.775SS**  trans-104.5138.3-155-59.10000116.2
384I33.2Very low32.6Very low136 Ų136142.1 Ų142.170%0.69777%0.768SS**  trans55.2109.4137.4-55.7165.5000117.6
385N32.9Very low32.6Very low156 Ų156139.1 Ų139.183%0.83476%0.76SS**  -153.7163.797.1-137-28.8000113.1
386H33.4Very low32.8Very low148 Ų148139.4 Ų139.469%0.68576%0.763SS**  trans-110.3174.5-162.3-83.5-98.9000115
387N33.8Very low32.6Very low151 Ų151137.3 Ų137.381%0.80776%0.759SS**  trans87.5128.1164.9-55-28.6000115.7
388S36.7Very low32.4Very low114 Ų114131.8 Ų131.880%0.79776%0.755SS**  cis-136.6140.12.6-74.50000112.7
389I31.2Very low32.4Very low155 Ų155128.5 Ų128.580%0.79575%0.751SS**  trans-92.9150.4165.5-62.1167.7000108.1
390N33.5Very low32.2Very low134 Ų134129.6 Ų129.672%0.71776%0.757SS**  trans147.7133151.6-74.8-15.5000108.8
391N33.5Very low32.3Very low143 Ų143128.1 Ų128.177%0.76576%0.761SS**  cis-147.2154.62-107.6-27.1000112.2
392L30.6Very low32Very low154 Ų154128 Ų12881%0.80677%0.768SS**  trans-73.1166.9164.9-67.3159.3000109.1
393T31.8Very low31.9Very low124 Ų124131.6 Ų131.676%0.76177%0.769SS**  -179161.573.141.10000112.4
394S33.8Very low31.6Very low98 Ų98134.9 Ų134.969%0.68578%0.778SS**  trans44.5110.2150.154.70000119.6
395S31.2Very low31.5Very low95 Ų95135.8 Ų135.866%0.66478%0.783SS**  97.5154.664.1-78.70000113.7
396P35.5Very low31.4Very low123 Ų123131.2 Ų131.280%0.79977%0.773SS**  trans-118.5164.2-149.941.5-31.8000115.9
397A28.5Very low31.6Very low89 Ų89133.4 Ų133.474%0.73678%0.78SS**  trans-160.6133.8149.800000112.8
398S27.9Very low31.5Very low112 Ų112133.3 Ų133.378%0.78378%0.78SS**  trans36.4145.8142.565.70000124.3
399A30.4Very low31.4Very low84 Ų84130.7 Ų130.769%0.69477%0.771SS**  trans85.4120.514200000120.7
400N27.5Very low31.6Very low167 Ų167130.1 Ų130.189%0.89377%0.769SS**  42.7102.3129.6-54.9-5000119.4
401G31.6Very low31.6Very low72 Ų72129.8 Ų129.874%0.74277%0.768SS**  trans156.795.116800000110.4
402L27.8Very low31.8Very low181 Ų181129.6 Ų129.695%0.94877%0.766SS**  43.971.569.9-91.9176000114.5
403R31Very low31.9Very low231 Ų231129.6 Ų129.687%0.87276%0.764SS**  trans-158135.3130.8-132.5170.8177-147-3.6114.6
404L26.9Very low32Very low165 Ų165130.6 Ų130.686%0.86477%0.765SS**  trans-83.9144.1167.4-69.2158.9000110.4
405I32.5Very low31.9Very low156 Ų156130.3 Ų130.380%0.877%0.769SS**  trans-173.3133.1147.6-91.5141.8000106
406G31Very low31.8Very low60 Ų60130.6 Ų130.662%0.61978%0.777SS**  cis133.389-6.400000113.2
407K36.7Very low31.6Very low193 Ų193132.5 Ų132.584%0.83978%0.778SS**  trans167.5153.3164.6-97.5155.5-177.3-178.90108.4
408N32Very low31.6Very low150 Ų150133.2 Ų133.280%0.80278%0.778SS**  cis-167.4143.6-26.9-109.315.1000104.6
409G34.4Very low31.7Very low58 Ų58135.8 Ų135.860%0.59878%0.782SS**  cis167-175.6-3.600000110.6
410N35.4Very low31.5Very low143 Ų143136.5 Ų136.577%0.76579%0.788SS**  trans79.1133.8166.3-46.7-13.3000117.9
411N34.5Very low31.4Very low128 Ų128133.2 Ų133.268%0.68478%0.784SS**  cis-162.4163.4-18.8-110.1-18.6000111.5
412N36.9Very low31.3Very low138 Ų138133.4 Ų133.474%0.73878%0.778SS**  trans69.7103.1170.6-55.1-13.6000114.9
413M32.1Very low31.4Very low155 Ų155132.6 Ų132.676%0.76477%0.774SS**  cis66.4126.146.1-41.4-118.1-68.100110.8
414N33.5Very low31.2Very low144 Ų144125.7 Ų125.777%0.7777%0.767SS**  cis-149.6167.122.8-73-72.7000109.8
415A33Very low31.2Very low93 Ų93122.5 Ų122.577%0.76976%0.764SS**  cis-162.7157.7-20.500000108.1
416A28.6Very low31.2Very low101 Ų101121.6 Ų121.684%0.83577%0.765SS**  trans-115.9124.7-178.500000112.6
417I30.6Very low31Very low162 Ų162129.7 Ų129.783%0.83178%0.777SS**  trans-143.895.3168.2-54-179.4000105.6
418S30.1Very low30.5Very low104 Ų104124.8 Ų124.873%0.72777%0.773SS**  69.8103.778.7-166.90000113.6
419L29.8Very low30.5Very low167 Ų167123.2 Ų123.287%0.87477%0.769SS**  trans-135.747.6169.2-16293.4000111.4
420A25.1Very low30.2Very low99 Ų99124.8 Ų124.882%0.81877%0.767SS**SBendtrans-11425.5173.500000112.4
421A25.6Very low29.9Very low97 Ų97124.8 Ų124.880%0.80277%0.772SS**  trans-161.477.5176.600000112.1
422A29.3Very low29.5Very low76 Ų76124.2 Ų124.263%0.62877%0.774SS**  trans-146112.7169.500000111
423L29.9Very low29.1Very low164 Ų164123.9 Ų123.986%0.85978%0.776SS**  trans46.3104.9156.1-61.2157.4000116.3
424A26.4Very low28.9Very low87 Ų87123 Ų12372%0.71978%0.78SS**  cis54117.927.200000114.3
425A27.2Very low28.6Very low98 Ų98122.3 Ų122.381%0.8178%0.781SS**  trans77.9154.9-178.200000117.6
426V33.3Very low28.6Very low136 Ų136124.8 Ų124.882%0.82479%0.787SS**  trans6592.4-177.1-1650000114.2
427R26.2Very low28.6Very low231 Ų231126.2 Ų126.287%0.87279%0.785SS**  cis86.1106.845.7-173.3-171177.2132.9-3.2112.7
428A27Very low28.6Very low89 Ų89122.7 Ų122.774%0.73678%0.781SS**  trans64.9164.9176.700000113.5
429T30.7Very low28.7Very low118 Ų118123.8 Ų123.872%0.72478%0.783SS**  cis-151.1154.716.1-31.50000110.1
430T29.9Very low28.8Very low91 Ų91123.3 Ų123.356%0.55878%0.781SS**  trans28.9115154.647.70000119T432T430-T432 PolarHBondContact O-N 3.4Å
431T27.2Very low29.3Very low142 Ų142123.7 Ų123.787%0.87177%0.773SS**  25.172.273.266.10000115.5
432T27.2Very low29.6Very low117 Ų117125.3 Ų125.372%0.71877%0.768SS**  trans-152.4140.2160.211.90000111.8T430T430-T432 PolarHBondContact O-N 3.4Å
433T27.3Very low29.7Very low130 Ų130128.5 Ų128.580%0.79878%0.775SS**  trans-77.7143.3169.247.80000112
434T28.3Very low30Very low138 Ų138129.3 Ų129.385%0.84777%0.774SS**  trans-156.6111.5146.612.10000111.2
435T28.3Very low30.6Very low129 Ų129129.3 Ų129.379%0.79177%0.767SS**  trans-75.7131.2161.8-50.30000108.2T437T435-T437 PolarHBondContact O-N 3.28Å
436T31.6Very low31Very low144 Ų144131.8 Ų131.888%0.88377%0.766SS**  trans-69.999.7-178.6-47.40000111.2
437T29.2Very low31.4Very low131 Ų131130.5 Ų130.580%0.80476%0.761SS**  trans-76.9131.117950.30000112.6T435T435-T437 PolarHBondContact O-N 3.28Å
438A30.9Very low31.9Very low89 Ų89127.5 Ų127.574%0.73676%0.761SS**  trans-125.7109.8156.400000109.3
439T31.2Very low32.2Very low126 Ų126131.3 Ų131.377%0.77376%0.764SS**  trans47.8103.7156.358.90000119.4
440L33.6Very low32.5Very low157 Ų157130 Ų13082%0.82276%0.756SS**  175.5119.5104.2-89.5164.1000114.4
441T34.2Very low32.8Very low107 Ų107133.7 Ų133.766%0.65677%0.767SS**  trans59.7109148540000124.4
442N32.4Very low33.1Very low132 Ų132134 Ų13471%0.70676%0.762SS**  93.9113.2122.7-60.2-0.7000123.9
443N32.5Very low33.3Very low143 Ų143135.5 Ų135.577%0.76577%0.765SS**  trans70.6144.4139.5-53.8-4.8000120.4
444Q34.7Very low33.6Very low180 Ų180134.1 Ų134.184%0.84176%0.757SS**  cis-159.8-174.2-29.6-127-156.8-86.100108.1
445P38.7Very low33.9Very low87 Ų87135 Ų13557%0.56575%0.751SS**  trans-130.5-177.4-138.138.7-15.8000117.1
446D37.1Very low34.3Very low151 Ų151135.5 Ų135.581%0.80775%0.748SS**  172.9156.7110.4-93.2-34.6000115.5
447P40.9Very low34.5Very low109 Ų109136 Ų13671%0.70875%0.745SS**  trans-131.2-179.9-175.243.4-28.3000116.2
448L37.9Very low34.8Very low168 Ų168133.1 Ų133.188%0.8874%0.742SS**  trans177.2-171.5138.2-94.5172.6000114
449Q33.1Very low35Very low168 Ų168137.2 Ų137.279%0.78575%0.75SS**  -155163.6-126.3-139.1-172.350.100117.6
450T36.9Very low35.1Very low90 Ų90136.2 Ų136.255%0.55275%0.745SS**  trans98.9132.6134.2-70.90000125.2
451Q35.6Very low35.1Very low169 Ų169136 Ų13679%0.7974%0.74SS**  trans71.2160.9157.1-80.7167.748.400121.4
452L34.4Very low35Very low148 Ų148139.2 Ų139.278%0.77575%0.748SS**  cis-147.3-163.54.8-132.1164.9000112.8
453L30.9Very low35Very low149 Ų149140.9 Ų140.978%0.7876%0.756SS**  trans-142.7167-160.2-15797.8000115.4
454T33Very low35.1Very low102 Ų102139.9 Ų139.963%0.62676%0.757SS**  trans93.8127.9150.7-17.40000121.1
455Q34.1Very low35.1Very low155 Ų155135 Ų13572%0.72476%0.755SS**  156.4155.8116.2-90.7-59.8-8.800117.9
456L37.1Very low34.8Very low141 Ų141137.7 Ų137.774%0.73877%0.77SS**  trans65.9127.4171.8-55.5176.6000117.5
457N36.4Very low34.5Very low153 Ų153138.2 Ų138.282%0.81877%0.771SS**  cis78.5125.946.7-67.8-20.8000114.4
458G34.7Very low33.9Very low71 Ų71136.2 Ų136.273%0.73277%0.77SS**  cis165.9-179.9-8.200000114.6
459I34.7Very low33.5Very low176 Ų176137.8 Ų137.890%0.90377%0.77SS**  trans84144.3163.1-68.7172.8000119.2
460P34.7Very low33.5Very low105 Ų105135.5 Ų135.568%0.68277%0.768SS**  trans-136.2-174.7-153.636.7-14000117
461Q33.5Very low33.4Very low153 Ų153139 Ų13972%0.71578%0.781SS**  157.3146127.7-78.9-100.3-11.700116.3
462Q32.2Very low33.3Very low173 Ų173136.6 Ų136.681%0.80878%0.78SS**  trans80.1142.7151.7-75.5163.350.800123.6
463L30.9Very low33.1Very low167 Ų167141.2 Ų141.287%0.87479%0.788SS**  trans-123.3-173.1-176.5-113.980.9000108.1
464P36.5Very low33Very low122 Ų122142.2 Ų142.279%0.79279%0.793SS**  cis-129.9175.1-4.936.1-17.9000115
465G33.9Very low33Very low77 Ų77140 Ų14079%0.79479%0.79SS**  trans174.9101.4167.200000116.2
466V31.8Very low33.1Very low145 Ų145139.1 Ų139.188%0.87980%0.796SS**  trans-69.1157172.4-123.40000110.6
467I31.8Very low32.8Very low162 Ų162139.3 Ų139.383%0.83180%0.797SS**  cis-140147.918.6-53.5171.3000109.5
468G28.2Very low32.8Very low67 Ų67139 Ų13969%0.69179%0.794SS**  trans-98.9159.8-17700000116.9
469F29.8Very low32.8Very low200 Ų200144 Ų14488%0.87780%0.799SS**  trans-137.8160169.6-107.8-92.8000110
470T32.4Very low32.7Very low121 Ų121141 Ų14174%0.74279%0.789SS**  trans6092.3164.351.60000121
471I33.8Very low32.4Very low162 Ų162142.6 Ų142.683%0.83179%0.791SS**  14.4128.1114.5-58.7173.5000115.4
472P34Very low32.3Very low119 Ų119143.5 Ų143.577%0.77380%0.8SS**  -154.1159.271.240.4-19.5000121.7
473W30.8Very low32.1Very low246 Ų246143.1 Ų143.193%0.93280%0.804SS**  trans1.7129148.9-120.760.2000122.6
474L29.2Very low32Very low169 Ų169143.8 Ų143.889%0.88580%0.802SS**  trans-170.8153135.4-15165.1000114.2
475G32.6Very low31.7Very low55 Ų55146.5 Ų146.557%0.56781%0.809SS**  trans105.4103.7160.500000116.6
476T36.2Very low31.5Very low138 Ų138148.2 Ų148.285%0.84781%0.805SS**  69.2137.871.766.30000114.6
477N31.1Very low31.2Very low145 Ų145148 Ų14878%0.77580%0.799SS**  cis-156.8-163.211.7-149.5-27.9000111.4
478I36.2Very low31.3Very low146 Ų146149 Ų14975%0.74980%0.799SS**  trans87.7123.8175.9-55.4168.4000112.7
479E35.1Very low31.4Very low177 Ų177152.3 Ų152.383%0.82780%0.8SS**  cis-142.8179.2-0.6-138.8158.7-140.800112.9
480T31.3Very low31.3Very low113 Ų113152.7 Ų152.769%0.69380%0.797SS**  trans-117.2172-163.846.80000115.5
481N29.8Very low31.1Very low138 Ų138154.8 Ų154.874%0.73880%0.798SS**  trans77.196.2169.3-61.2-55.6000118.7
482L30.2Very low31.1Very low171 Ų171153 Ų15390%0.89580%0.795SS**  -167.984115-105.7165000111.1
483N27.5Very low31Very low166 Ų166153.7 Ų153.789%0.88879%0.792SS**  trans-157.366.9167.9-113.5-30000111
484Q30.4Very low31.1Very low180 Ų180149.5 Ų149.584%0.84179%0.788SS**  trans-138.182.5167.8-75-164.213.800110.4
485L30.4Very low31.5Very low179 Ų179146.3 Ų146.394%0.93778%0.777SS**  trans-16087.2151.9-114.8161.2000109.3
486T28.3Very low31.3Very low114 Ų114152.8 Ų152.870%0.69979%0.79SS**  trans-93.1137.8179.9-65.30000110.2
487N26.6Very low31.1Very low141 Ų141152.9 Ų152.975%0.75478%0.784SS**  trans46.4114.1162.6-60.5-14.1000118.8
488H32.6Very low31Very low181 Ų181152.3 Ų152.384%0.83878%0.781SS**  trans-166.1143.2131-110.8-74.4000112.5
489I31.8Very low30.8Very low138 Ų138152.8 Ų152.871%0.70878%0.784SS**  trans67.5102.7158.8-57.5159.7000115.1
490Y27.6Very low30.6Very low208 Ų208152.8 Ų152.882%0.81679%0.789SS**  66.9135.874.5-80.6-81.1000116.1
491H28.7Very low30.4Very low164 Ų164154.3 Ų154.376%0.75979%0.793SS**  trans4.6135.2168.6-65.1-66.8000119.2
492T33.8Very low30.4Very low126 Ų126157 Ų15777%0.77380%0.801SS**  -167.5141.573.842.20000116
493N30.7Very low30.4Very low133 Ų133154.4 Ų154.471%0.71180%0.797SS**  trans21.2127.1140.1-52.5-14.3000123.1
494N33.5Very low30.5Very low157 Ų157151 Ų15184%0.8479%0.787SS**  trans59.5166.3131.9-77.9-4.4000121.9
495P36.3Very low30.5Very low102 Ų102149 Ų14966%0.66278%0.781SS**  cis-130.3177.7-35.237.1-22.1000112.3
496F29.2Very low30.5Very low191 Ų191147.8 Ų147.884%0.83878%0.776SS**  trans-14797.1150.6-128.1-83.1000112.1
497I32Very low30.6Very low141 Ų141149.7 Ų149.772%0.72378%0.776SS**  trans-130.1159.9166.2-77.2-70.9000105.4
498D29.3Very low30.8Very low133 Ų133148.2 Ų148.271%0.71177%0.769SS**  trans64.984.7177.1-62.8-35.2000117.5
499L31.7Very low30.8Very low156 Ų156146.4 Ų146.482%0.81776%0.76SS**SBendtrans-146.366.2146.5-162.680.4000112.6
500L31.1Very low30.7Very low177 Ų177145.3 Ų145.393%0.92776%0.756SS**  trans-17775.1152.7-105.2164.7000110.7
501N26.6Very low31Very low145 Ų145141.2 Ų141.278%0.77575%0.748SS**  trans-147.976173.7-161.42.8000112.1
502Q30.6Very low31Very low194 Ų194139.2 Ų139.291%0.90774%0.743SS**  trans-168.999.1168.3-116.3165.895.500111.5
503S30.4Very low30.8Very low117 Ų117140.3 Ų140.382%0.81874%0.744SS**  trans176.7131.9130.5-1680000111.6
504S30.1Very low30.7Very low95 Ų95140.2 Ų140.266%0.66475%0.748SS**  trans17112.2162.1-69.30000121.5
505N28.6Very low30.6Very low137 Ų137140.1 Ų140.173%0.73375%0.747SS**  44.1131106.5-60-28000120.4
506N31.2Very low30.1Very low153 Ų153139.6 Ų139.682%0.81875%0.745SS**  trans73.2151154.3-57.4-21.8000118
507H30.6Very low30Very low154 Ų154137.4 Ų137.471%0.71374%0.742SS**  cis-163.3144.5-34.2-170.154.6000108.1
508N30.4Very low30Very low111 Ų111138.1 Ų138.159%0.59475%0.746SS**  trans66.3130.1155.6-110.3-10000122.5
509H33.1Very low30Very low142 Ų142137.9 Ų137.966%0.65776%0.755SS**  trans83.1123132.6-94.145.2000122.2
510N30.4Very low29.8Very low116 Ų116137.5 Ų137.562%0.6275%0.753SS**  50.1127.9120.6-61.811000118.6
511N32.1Very low29.8Very low122 Ų122137.4 Ų137.465%0.65275%0.753SS**  cis-167.3148.838.1-110.8-21.8000113.4
512N29.2Very low29.9Very low122 Ų122136.7 Ų136.765%0.65275%0.754SS**  trans47.5133.2135.8-58-18.7000123.7
513N30.1Very low30Very low148 Ų148134.3 Ų134.379%0.79175%0.746SS**  trans87158139.1-68.1-11.3000121.2
514V28.8Very low30Very low132 Ų132134.2 Ų134.280%0.874%0.743SS**  trans94.2130.4161.7-171.50000116.4
515L31Very low29.8Very low155 Ų155137.6 Ų137.681%0.81275%0.753SS**  trans73.687170.9-72.1159.8000119.4
516S26.8Very low30Very low90 Ų90137.9 Ų137.963%0.62975%0.753SS**  trans-38.7167.2140.151.90000116.8
517N26.9Very low30Very low145 Ų145135.8 Ų135.878%0.77575%0.75SS**  trans93.790.8164.7-54.8-16.5000116.8
518I31.5Very low30Very low156 Ų156139 Ų13980%0.876%0.758SS**  -165133.9118.4-93.6148.7000107L520I518-L520 HydrophobicContact CG2-CD1 4.39Å; I518-L520 HydrophobicContact CG2-CG 4.36Å
519S28Very low30.3Very low128 Ų128139.5 Ų139.590%0.89577%0.767SS**  trans-101.4111176.2-74.70000110.9
520L28.3Very low30.2Very low149 Ų149141.3 Ų141.378%0.7878%0.776SS**  trans-124.6117.9163.2-79.6165.4000107.1I518I518-L520 HydrophobicContact CG2-CD1 4.39Å; I518-L520 HydrophobicContact CG2-CG 4.36Å
521N31.1Very low30.2Very low174 Ų174146.2 Ų146.293%0.9379%0.787SS**  trans-163.989.4166.3-99.7-38.9000111.2
522T28Very low30.1Very low130 Ų130147.3 Ų147.380%0.79879%0.793SS**  trans-98.5165.3157.4-60.90000107.8
523I32.6Very low30.2Very low144 Ų144148.2 Ų148.274%0.73880%0.797SS**  trans85.596.3178.9-48165.5000114.3
524P32.2Very low30.4Very low116 Ų116147.4 Ų147.475%0.75379%0.793SS**  trans-82118.1159.732-29.8000110.7
525L26.1Very low30.6Very low165 Ų165148.2 Ų148.286%0.86479%0.793SS**  trans-68.9128.1165.6-80.9159.9000110.1
526I31.9Very low30.5Very low143 Ų143148.6 Ų148.673%0.73380%0.796SS**  trans-124.9109.1167.1-62.3-178.1000108.6
527S30.6Very low30.8Very low109 Ų109150.1 Ų150.176%0.76280%0.801SS**PPolyproline II helixtrans-77.1142179.6-470000112
528Y31Very low30.9Very low222 Ų222150.8 Ų150.887%0.87180%0.8SS**PPolyproline II helixtrans-95134.4166.9-70.6-93.5000110.2
529P37.3Very low30.7Very low121 Ų121150.8 Ų150.879%0.78680%0.8SS**PPolyproline II helixtrans-86.4124.2162.332.4-29000110
530E30Very low30.9Very low181 Ų181148.5 Ų148.585%0.84680%0.797SS**PPolyproline II helixtrans-70.9151.7171.9-61.6-176.5123.400111.4
531Y30.7Very low31Very low219 Ų219149.3 Ų149.386%0.85980%0.801SS**  trans-130.274168.2-123.6-87.2000109.8
532N31.2Very low30.9Very low144 Ų144147.7 Ų147.777%0.7779%0.787SS**  trans-76.1121.8169.5-173.94.6000108.8
533N31.2Very low31Very low141 Ų141148.8 Ų148.875%0.75478%0.781SS**  trans-142.499.2179.8-169.417.2000110
534N32.8Very low30.8Very low132 Ų132148.7 Ų148.771%0.70678%0.778SS**  trans-147.4156.1178.3-112.3-26.2000110.5
535N33.9Very low30.8Very low148 Ų148150.9 Ų150.979%0.79178%0.778SS**  trans80.782.3172-51.9-17.1000117.1T537N535-T537 PolarHBondContact O-N 3.32Å
536N28.7Very low31.1Very low164 Ų164150 Ų15088%0.87777%0.774SS**  trans-59.4119.2139.7-75.2-37.3000109.2
537T32.4Very low31Very low121 Ų121150.1 Ų150.174%0.74278%0.775SS**  -171.1133.3125.7240000113.4N535N535-T537 PolarHBondContact O-N 3.32Å
538Q29.2Very low31.2Very low159 Ų159152.7 Ų152.774%0.74378%0.775SS**  trans61.6118.5144.8-67.8-178.5-53.600122.5
539I28.6Very low31.1Very low156 Ų156148.5 Ų148.580%0.877%0.767SS**  57.2114.2124.6-52.4164000117.7
540G30.5Very low30.9Very low80 Ų80149.3 Ų149.383%0.82576%0.763SS**  trans-176.573.6172.500000115.8
541L30.4Very low31Very low167 Ų167148 Ų14887%0.87476%0.757SS**  trans-33.9129.3176.4-78.9158.9000118.7
542H30.4Very low31.1Very low139 Ų139142.3 Ų142.364%0.64475%0.745SS**  81.798.9120.8-158.7-100.2000121.8
543K28.4Very low31.3Very low153 Ų153141.6 Ų141.667%0.66574%0.74SS**  trans65.3134.3134.2-74.4-166.1-165.4150.60123.2
544Q29.7Very low31.5Very low142 Ų142141.9 Ų141.966%0.66474%0.737SS**  trans89.6133.2130.7-82.7174.8-59.300121.2
545Q30.8Very low31.6Very low162 Ų162141.3 Ų141.376%0.75773%0.734SS**  trans71148.2159.2-64.3157.17.100115.1
546N32.5Very low31.8Very low146 Ų146139.6 Ų139.678%0.78173%0.725SS**  cis-142.4166.510-143.4-19.5000112.6
547L30.8Very low32.2Very low146 Ų146137.4 Ų137.476%0.76471%0.713SS**  trans-90.5150.5171.6-68.698.4000111.7
548H34.3Very low32.4Very low164 Ų164137.5 Ų137.576%0.75971%0.709SS**  -162.5138.7124.1-101.959.9000108.2
549L29.9Very low32.9Very low134 Ų134135.8 Ų135.870%0.70271%0.705SS**  62.812770.9-113.372.1000111
550I32.8Very low33.2Very low137 Ų137134.4 Ų134.470%0.70370%0.699SS**  cis-155.8130.141.2-101.2171.1000108.8
551H32.1Very low33.4Very low154 Ų154137.1 Ų137.171%0.71369%0.693SS**  75.7137.499.4-141.4-111000114.7
552T33.5Very low33.5Very low99 Ų99134.5 Ų134.561%0.60768%0.684SS**  175117.985.7-73.60000112.5
553L35.1Very low33.6Very low129 Ų129134.6 Ų134.668%0.67569%0.69SS**  trans54157.9146.4-42.8174.6000120
554H35.5Very low33.8Very low147 Ų147134 Ų13468%0.68169%0.692SS**  cis-152.4167.1-15.9-12034.9000105.8
555N34.5Very low33.8Very low120 Ų120132 Ų13264%0.64269%0.694SS**  -172.4137.852.6-146.95.4000110.6
556N36.9Very low33.8Very low113 Ų113129.5 Ų129.560%0.60470%0.695SS**  trans46.9141.8142.3-63.81.5000122.2
557N37.8Very low33.9Very low118 Ų118127.2 Ų127.263%0.63169%0.69SS**  cis-162.71568.3-119.9-1000113.5
558N36.8Very low34.1Very low122 Ų122126.5 Ų126.565%0.65269%0.687SS**  trans66.4137.3150.6-60.7-0.8000118.7
559N39.2Very low34.1Very low124 Ų124124.8 Ų124.866%0.66368%0.683SS**  cis-155.8152.45.1-101.9-13.5000112.9
560N35.5Very low34.5Very low127 Ų127123.9 Ų123.968%0.67968%0.679SS**  trans59.8113.9151.8-65.34.3000120.5
561I34.2Very low34.7Very low137 Ų137125.1 Ų125.170%0.70368%0.682SS**  79.786.972.1-71.7169.1000111.1
562T33.1Very low34.9Very low111 Ų111121.7 Ų121.768%0.68168%0.675SS**  72126.380.361.40000116.2
563N31.6Very low35Very low141 Ų141124.5 Ų124.575%0.75469%0.686SS**  trans149.5153.4141.7-77.7-12000111.5
564I33.5Very low35Very low140 Ų140122.8 Ų122.872%0.71869%0.685SS**  cis-157.7156.7-21.9-111.3164.9000107.4
565S29.7Very low35.2Very low101 Ų101123.5 Ų123.571%0.70669%0.691SS**  trans-22.5149.5169-40.70000120.1
566S30.6Very low35.1Very low110 Ų110124.4 Ų124.477%0.76970%0.696SS**  167.1153.1103.4-71.30000116.9
567S34.9Very low35.1Very low97 Ų97123 Ų12368%0.67869%0.694SS**  trans75.9105.4144-73.20000124.2
568N33.9Very low35.1Very low132 Ų132123.1 Ų123.171%0.70670%0.699SS**  87.6130.9109.3-70.6-0.3000124.1
569N35.9Very low35Very low128 Ų128126.6 Ų126.668%0.68471%0.709SS**  trans74.9146.4134.1-67.5-0.7000120
570N37Very low35Very low115 Ų115125.6 Ų125.662%0.61571%0.709SS**  cis-167.4155.2-21.5-123.9-29.2000111.3
571H38.1Very low35Very low163 Ų163124.1 Ų124.176%0.75571%0.709SS**  trans66.1158.7148.6-77.941000119
572S36.2Very low35Very low82 Ų82125.5 Ų125.557%0.57372%0.717SS**  cis-168146.1-18.448.60000113.1
573N34.6Very low35.1Very low158 Ų158124.8 Ų124.885%0.84571%0.714SS**  trans58.8167.4150-54.1-15.1000118.7
574S35.3Very low35Very low92 Ų92125.4 Ų125.464%0.64372%0.716SS**  cis-155.3150.87.2-153.50000112.6
575M39.4Very low35Very low162 Ų162125 Ų12580%0.79872%0.719SS**  trans36.4151141.9-66.5-178.2-17100121.8
576N34.2Very low34.8Very low140 Ų140127.1 Ų127.175%0.74972%0.723SS**  cis-167.6179.47.8-115.5-14.4000108.3
577S36.2Very low35.1Very low83 Ų83127.1 Ų127.158%0.5872%0.72SS**  cis-166.8-174.4-1153.20000110
578T37.3Very low34.8Very low120 Ų120130.1 Ų130.174%0.73673%0.728SS**  trans49112.4151.644.80000120.7
579K35.5Very low34.5Very low196 Ų196131.1 Ų131.185%0.85273%0.73SS**  cis70.8150.949.9-78.7-161167.2-174.90116.4
580P38Very low34.4Very low103 Ų103133.7 Ų133.767%0.66974%0.735SS**  cis-146.8-158-36.542.6-22.5000114.3
581S35.8Very low34Very low96 Ų96135.1 Ų135.167%0.67174%0.743SS**  trans73.6130.7163.6210000118.2
582L34.7Very low33.9Very low166 Ų166131.4 Ų131.487%0.86973%0.734SS**  cis88.414941.4-69.7167000113.7
583P35.6Very low33.7Very low96 Ų96137 Ų13762%0.62375%0.748SS**  -144.3176.7-50.142-24.5000115.3
584I29.2Very low33.5Very low153 Ų153134.7 Ų134.779%0.78574%0.74SS**  trans54.5128.2148.1-64.4155.5000120.9
585V32.5Very low33.4Very low132 Ų132135.4 Ų135.480%0.875%0.745SS**  168.8141.8127.7157.70000109.2
586D26.7Very low33Very low145 Ų145134.3 Ų134.378%0.77574%0.742SS**  trans-86.3-154.2178.1-60.8-82.6000113.1
587P35.7Very low33Very low110 Ų110135.2 Ų135.271%0.71475%0.746SS**  -118.4-169.7-92.537.5-21.8000113.6
588L28.6Very low32.6Very low160 Ų160137 Ų13784%0.83875%0.749SS**  trans128.2152.8150.1-66.7173.3000116.2
589M28.7Very low32.3Very low153 Ų153139.6 Ų139.675%0.75476%0.757SS**  trans82.5155.6161-52-157.774.200121.1
590F32.9Very low32Very low182 Ų182138 Ų13880%0.79875%0.752SS**  trans71.768.5165.8-64.7-67.7000121.6
591N29.1Very low31.6Very low146 Ų146137.9 Ų137.978%0.78175%0.753SS**  -40.8173.9129.8-15033.4000113.6
592P36.4Very low31.3Very low85 Ų85139.6 Ų139.655%0.55276%0.76SS**  -135.1163.6-77.841.8-26.4000114.5
593F31.7Very low31Very low198 Ų198137.5 Ų137.587%0.86875%0.754SS**  trans-159.9142.3161.9-81.8-70.8000109.5
594T29.4Very low30.7Very low111 Ų111140.5 Ų140.568%0.68177%0.765SS**  cis170.5172.2-15.922.80000106.2
595S34.1Very low30.7Very low107 Ų107144.6 Ų144.675%0.74877%0.77SS**  trans80.5140.915986.20000117.7
596N30.1Very low30.6Very low138 Ų138145.7 Ų145.774%0.73877%0.771SS**  cis-164-179.1-24-130-20.6000111.8
597L34.1Very low30.8Very low160 Ų160146.4 Ų146.484%0.83877%0.774SS**  trans70.1108.4179.8-73.863.3000113.8
598D29.2Very low30.6Very low121 Ų121148.6 Ų148.665%0.64777%0.774SS**  cis79.1108.38.4-162.224.1000118.4H600D598-H600 IonicContact OD1-CD2 3.73Å
599I30Very low30.7Very low174 Ų174147 Ų14789%0.89277%0.767SS**  trans-146134.2150.2-62.9-172000107.7
600H29.3Very low30.8Very low163 Ų163146.9 Ų146.976%0.75577%0.766SS**  trans-116.6-175.9-168.7-128.4-97.6000113.9D598D598-H600 IonicContact OD1-CD2 3.73Å
601S29.7Very low30.6Very low99 Ų99143.5 Ų143.569%0.69276%0.76SS**  trans80.4151.6171.183.30000116.2
602V29.5Very low30.7Very low133 Ų133141.9 Ų141.981%0.80676%0.756SS**  cis-144.3158.511.9-179.10000108.5
603T29Very low30.4Very low122 Ų122145.7 Ų145.775%0.74877%0.766SS**  cis-169142-42.6-75.60000107.3
604N28.2Very low30.2Very low159 Ų159140.4 Ų140.485%0.8575%0.754SS**  trans-67.8148.6177.8-86.4-44.4000114.4
605R30.5Very low30.2Very low239 Ų239142.3 Ų142.390%0.90276%0.758SS**  trans-157154.1155.3-118.6176.4-170-95.3-1.2113.2
606L30.3Very low30Very low154 Ų154144.5 Ų144.581%0.80676%0.76SS**  trans68.768.7175.2-71.5160.1000117.1
607L31.1Very low29.9Very low161 Ų161141.6 Ų141.684%0.84376%0.755SS**  trans-80.4135.5137.5172.373.8000108.4
608Q30.8Very low29.7Very low155 Ų155140.9 Ų140.972%0.72475%0.752SS**  trans149.7137.9165.5-88.9159.3-22.900107.6
609D29.9Very low29.9Very low126 Ų126143.3 Ų143.367%0.67476%0.759SS**  cis-136.5133.3-0.3-94.3-45.6000109.2
610M30.8Very low30.2Very low152 Ų152140.3 Ų140.375%0.74975%0.749SS**  61.2114.797.8-68.1-133.8-60.400117.5
611T30.4Very low30.2Very low110 Ų110140.1 Ų140.168%0.67575%0.753SS**  trans73.7132.6136.255.70000122.8
612T30.2Very low30.4Very low112 Ų112138.6 Ų138.669%0.68775%0.754SS**  trans82.6136135.844.90000123.3
613H31.3Very low30.6Very low166 Ų166138.3 Ų138.377%0.76975%0.752SS**  trans59.787.8142.3-67.2-56.5000120.8
614S27.4Very low30.9Very low86 Ų86138.2 Ų138.260%0.60175%0.752SS**  56.7139.2108680000122
615I27.9Very low31.2Very low152 Ų152138 Ų13878%0.77975%0.749SS**  trans82.9142.1149-69.2159.2000117.2
616I30.7Very low31.6Very low152 Ų152131.8 Ų131.878%0.77974%0.741SS**  trans66.991.7171.2-69.8158.1000117.4
617A28.3Very low32Very low78 Ų78131.1 Ų131.165%0.64574%0.743SS**  35.9147116.600000123.2
618N29Very low32.3Very low145 Ų145129 Ų12978%0.77574%0.739SS**  trans86.4121.7146.7-68.2-11000121.6
619H34.6Very low32.4Very low172 Ų172128.1 Ų128.180%0.79674%0.744SS**  95.1135.1129.8-102.8-65.6000123
620V35.3Very low32.7Very low110 Ų110130.5 Ų130.567%0.66776%0.756SS**  trans74.5100.7154.3-173.30000119.6
621N30.3Very low33.1Very low159 Ų159129.4 Ų129.485%0.8576%0.758SS**  39.5133.7128.1-51.1-9.5000122.6
622G32.9Very low33.6Very low68 Ų68129.8 Ų129.870%0.70176%0.762SS**  trans110.9143.4150.400000114.8
623T33.5Very low34.1Very low127 Ų127130.8 Ų130.878%0.77977%0.771SS**  cis-160.1145.9-8.8-18.80000109.8
624T35.2Very low34.5Very low119 Ų119128.8 Ų128.873%0.7378%0.776SS**  trans22.5142.7146.955.30000121.1
625L34.2Very low35.2Very low154 Ų154131.4 Ų131.481%0.80678%0.782SS**  cis-162.6153.123.5-16064000112.3
626P39.8Very low36.1Very low110 Ų110129.3 Ų129.371%0.71478%0.778SS**  trans-112.4173.8175.341.7-33.4000114.5
627T37.6Very low36.6Very low139 Ų139126.2 Ų126.285%0.85378%0.776SS**  trans-167.1160.1165.4-4.90000111.2
628P37.6Very low37.4Very low118 Ų118126.1 Ų126.177%0.76677%0.768SS**  -128.5169.6-84.342-29.2000115.4
629T34Very low38.4Very low136 Ų136123.9 Ų123.983%0.83476%0.762SS**  trans-95.4157.2165.932.50000112.4
630L35.9Very low39.3Very low176 Ų176121.9 Ų121.992%0.92176%0.764SS**  trans-107136.9174.6-83.5163.5000111.2
631T38.9Very low39.7Very low129 Ų129122.4 Ų122.479%0.79176%0.762SS**  trans-135.4145.1173.944.20000111.2
632P42.1Very low40.2Very low117 Ų117120.6 Ų120.676%0.7676%0.759SS**  trans-77.7161.5174.932.5-34.6000112.4
633P40.6Very low40.3Very low134 Ų134122.5 Ų122.587%0.8777%0.768SS**  trans-80.3153.8-165.731.9-36.9000114.9
634S39Very low40.5Very low124 Ų124121.2 Ų121.287%0.86777%0.771SS**  trans-104.1142.5-179.545.20000113.4
635L41.9Very low40.4Very low140 Ų140119.5 Ų119.573%0.73377%0.768SS**PPolyproline II helixtrans-86.5149175.8-80.5163.7000112.1R690L635-R690 PolarHBondContact O-NH2 2.85Å
636P46.2Very low40.3Very low109 Ų109118.3 Ų118.371%0.70877%0.77SS**PPolyproline II helixtrans-63.1160.8-169.226-35.6000114.4R690P636-R690 PolarHBondContact O-NH2 2.91Å
637A43Very low40Very low87 Ų87119.6 Ų119.672%0.71978%0.776SS**PPolyproline II helixtrans-87.6149.2-178.100000112.8
638P44.1Very low39.7Very low76 Ų76119.7 Ų119.749%0.49478%0.776SS.*PPolyproline II helixtrans-70.3159.4170.731.3-35.3000111.9
639P51Low39.1Very low98 Ų98119.7 Ų119.764%0.63677%0.774SS**PPolyproline II helixtrans-72.9157.2-178.230.6-36.1000113.2
640P52.1Low38.9Very low130 Ų130119.9 Ų119.984%0.84478%0.776SS**PPolyproline II helixtrans-73140.5179.2-1329000112.6
641L43Very low38.4Very low120 Ų120118.3 Ų118.363%0.62877%0.768SS**PPolyproline II helixtrans-82.5157167.5-92.177.3000111.7A694L641-A694 HydrophobicContact CD1-CB 3.99Å; L641-A694 HydrophobicContact CD2-CB 4.37Å
642P41.3Very low38Very low122 Ų122119.9 Ų119.979%0.79277%0.77SS**PPolyproline II helixtrans-66.1143.8175.8-17.731.7000112.6A644P642-A644 PolarHBondContact O-N 3.39Å
643A36.4Very low37.2Very low107 Ų107118.3 Ų118.388%0.88477%0.767SS**PPolyproline II helixtrans-71.7117.7176.700000111.7
644A35.9Very low36.7Very low101 Ų101118.3 Ų118.384%0.83577%0.765SS**PPolyproline II helixtrans-79.8131.4169.100000110.5P642P642-A644 PolarHBondContact O-N 3.39Å
645A34.3Very low36.2Very low82 Ų82119.2 Ų119.268%0.67877%0.765SS**PPolyproline II helixtrans-78.9150.9179.100000112.1
646P31.7Very low35.5Very low129 Ų129115.5 Ų115.584%0.83876%0.761SS**PPolyproline II helixtrans-75.9130.717730.9-34000111.5
647T34.2Very low34.6Very low137 Ų137116.7 Ų116.784%0.8477%0.766SS**  trans-128.1119.7172.353.30000111.2
648T29.8Very low33.9Very low141 Ų141119.9 Ų119.987%0.86577%0.77SS**  trans-80.1150.8-174.5-41.40000113
649T25.9Very low33.1Very low118 Ų118123 Ų12372%0.72478%0.782SS**  trans-68.4134.9177.4-49.10000114.6
650T28.7Very low32Very low140 Ų140126.5 Ų126.586%0.85979%0.79SS**  trans-153.2157.9147.3-2.20000112.4
651N26.4Very low31Very low143 Ų143129 Ų12977%0.76579%0.791SS**  trans-109.9-171.3-170-75.4-35000113.5
652I29.7Very low30.2Very low163 Ų163131.8 Ų131.884%0.83680%0.798SS**  trans96.1107.8169.6-55.9156.4000111.8
653A26.5Very low29.3Very low83 Ų83135.5 Ų135.569%0.68680%0.802SS**  71.6139.853.400000113
654T29.3Very low28.9Very low135 Ų135135.9 Ų135.983%0.82880%0.798SS**  cis-157.1179.40.5-0.20000107.2
655T28.2Very low28.4Very low143 Ų143138 Ų13888%0.87779%0.794SS**  cis-129.1-12515.560.40000111
656G28Very low27.9Very low62 Ų62140.8 Ų140.864%0.63980%0.797SS**  trans138.23.3159.600000121.4
657T27.2Very low27.9Very low134 Ų134143.7 Ų143.782%0.82280%0.8SS**  trans20110.4169.251.50000120.4
658L29Very low27.6Very low154 Ų154147.5 Ų147.581%0.80680%0.8SS**  -148.3135.2125.8-86.8-166.6000111.6
659N27.5Very low28.1Very low140 Ų140146 Ų14675%0.74980%0.795SS**  trans56.793.3149.6-55.5-7.4000120
660H27.3Very low29.5Very low173 Ų173143.8 Ų143.880%0.80178%0.783SS**  trans-0.1115.4136.5-99.3-103.6000117.6
661E30.4Very low31.8Very low182 Ų182139.4 Ų139.485%0.8575%0.754SS**  -146.4167.5121.8-89.9-111.4104.300107.2
662F26.4Very low34.5Very low178 Ų178133.5 Ų133.578%0.78172%0.723SS**  trans-76.9148.9-158-91.1-106.7000116.1S664F662-S664 PolarHBondContact O-N 2.88Å
663F23.1Very low37.4Very low200 Ų200127.9 Ų127.988%0.87770%0.695SS**  trans-63.4113.1165-87.5-107.9000110.5
664S26.5Very low40.5Very low116 Ų116123.9 Ų123.981%0.81166%0.662SS**  trans-123.4102.5161-78.80000109.9F662F662-S664 PolarHBondContact O-N 2.88Å
665I25.5Very low43.5Very low146 Ų146120.5 Ų120.575%0.74964%0.636SS**  trans-61.4151.2165.7-32.4176.9000107.9
666N25.4Very low46.5Very low139 Ų139113.8 Ų113.874%0.74359%0.594SS**  trans88.896.9-180-47.8-46.7000116.6
667H30.6Very low49.3Very low191 Ų191112.3 Ų112.388%0.88457%0.571SS**  trans-151.388.8147.2-112.467.9000109.7
668Y28.5Very low52Low216 Ų216106.2 Ų106.285%0.84753%0.534SS*.  trans-87.5108171.9-104.7-79.1000109.5P670Y668-P670 HydrophobicContact CD1-CB 4.29Å; Y668-P670 HydrophobicContact CD1-CG 4.01Å
669S39.3Very low54.7Low109 Ų10998.9 Ų98.976%0.76250%0.496SS*.  trans-112.681162.7510000108.4N671S669-N671 VanDerWaalsContact C-N 3.34Å; S669-N671 PolarHBondContact O-N 3.04Å; S669-N671 VanDerWaalsContact O-N 3.17Å
670P56.5Low57.3Low72 Ų7292.8 Ų92.847%0.46846%0.464SS..  trans-75.9-14.9-150.5-14.227.6000115.8Y668Y668-P670 HydrophobicContact CD1-CB 4.29Å; Y668-P670 HydrophobicContact CD1-CG 4.01Å
671N75.9Confident59.8Low49 Ų4987.8 Ų87.826%0.26245%0.447SS..  trans-139133.4-162.3-58-54000112.4S669 L699 V726 M727 F766S669-N671 VanDerWaalsContact C-N 3.34Å; S669-N671 PolarHBondContact O-N 3.04Å; S669-N671 VanDerWaalsContact O-N 3.17Å; N671-L699 WeakPolarHBondContact OD1-CD1 3.41Å; N671-V726 HydrophobicContact CB-CG1 3.84Å; N671-M727 CarbonylContact C-O 3.59Å; N671-M727 WeakPolarHBondContact CA-O 3.47Å; N671-F766 HydrophobicContact CB-CE1 4.27Å; N671-F766 WeakPolarHBondContact ND2-CD1 3.09Å; N671-F766 WeakPolarHBondContact ND2-CE1 3.38Å
672T84.6Confident62.1Low18 Ų1886 Ų8611%0.1144%0.439CS..EExtended strand (participates in β ladder)trans-97.1129.7169.7-62.60000109.9L674 M727 Y730 A733 K754T672-L674 HydrophobicContact CG2-CD2 4.16Å; T672-M727 PolarHBondContact N-O 2.97Å; T672-M727 PolarHBondContact O-N 3.35Å; T672-Y730 HydrophobicContact CG2-CD2 4.42Å; T672-A733 HydrophobicContact CG2-CB 3.67Å; T672-K754 HydrophobicContact CG2-CG 4.45Å
673I89.9Confident64.8Low45 Ų4577.6 Ų77.623%0.23140%0.402CS..EExtended strand (participates in β ladder)trans-99123.6174.8-52.9179000109.1L724 V726 S755I673-L724 HydrophobicContact CG2-CB 4.42Å; I673-L724 HydrophobicContact CG2-CD2 4.15Å; I673-V726 HydrophobicContact CG1-CG1 4.35Å; I673-V726 HydrophobicContact CG1-CG2 4.28Å; I673-S755 PolarHBondContact O-N 3.29Å
674L91.5Very high67.7Low0 Ų073.1 Ų73.10%039%0.387CS..EExtended strand (participates in β ladder)trans-98.3146.2169.1-58.2-170.5000110.5T672 F692 L724 V725 M727 A733 A736 I737 V752 S753T672-L674 HydrophobicContact CG2-CD2 4.16Å; L674-F692 HydrophobicContact CD1-CE1 4.15Å; L674-L724 WeakPolarHBondContact O-CA 3.49Å; L674-V725 HydrophobicContact CB-CB 4.46Å; L674-V725 PolarHBondContact N-O 2.81Å; L674-V725 PolarHBondContact O-N 2.97Å; L674-M727 HydrophobicContact CD1-SD 3.52Å; L674-M727 VanDerWaalsContact CD1-SD 3.52Å; L674-M727 HydrophobicContact CG-SD 4.12Å; L674-A733 HydrophobicContact CD2-CB 4.29Å; L674-A736 HydrophobicContact CD1-CB 3.88Å; L674-I737 HydrophobicContact CD1-CG1 4.23Å; L674-I737 HydrophobicContact CD2-CD1 3.57Å; L674-I737 HydrophobicContact CD2-CG1 3.62Å; L674-V752 HydrophobicContact CD1-CG1 4.2Å; L674-S753 CarbonylContact C-O 3.56Å; L674-S753 WeakPolarHBondContact CA-O 3.18Å
675K91.3Very high70.4Confident64 Ų6471.3 Ų71.328%0.27837%0.366SS..EExtended strand (participates in β ladder)trans-112.8131.6172.5-169.6-166.6-168.5-165.90108.7E677 L724 V752 S753K675-E677 HydrophobicContact CD-CG 4.23Å; K675-E677 WeakPolarHBondContact CE-OE1 3.44Å; K675-E677 HydrophobicContact CG-CG 4.36Å; K675-E677 IonicContact NZ-OE1 2.73Å; K675-E677 PolarHBondContact NZ-OE1 2.75Å; K675-L724 HydrophobicContact CB-CD2 4.19Å; K675-L724 HydrophobicContact CG-CD2 4.17Å; K675-V752 WeakPolarHBondContact O-CA 3.41Å; K675-S753 PolarHBondContact N-O 2.94Å; K675-S753 PolarHBondContact O-N 3.33Å
676I91.2Very high73.2Confident1 Ų168 Ų681%0.00536%0.356CS..EExtended strand (participates in β ladder)trans-114.1128.4175.5-48.8174.5000108.4L679 I688 F692 K722 A723 V725 L750 K751 V752I676-L679 HydrophobicContact CB-CD1 4.22Å; I676-L679 HydrophobicContact CG2-CD1 3.96Å; I676-L679 HydrophobicContact CG2-CD2 4.01Å; I676-L679 HydrophobicContact CG2-CG 3.93Å; I676-I688 HydrophobicContact CD1-CG2 3.83Å; I676-F692 HydrophobicContact CD1-CD2 4.44Å; I676-F692 HydrophobicContact CD1-CE2 3.42Å; I676-F692 VanDerWaalsContact CD1-CE2 3.42Å; I676-F692 HydrophobicContact CD1-CZ 3.76Å; I676-F692 HydrophobicContact CG1-CZ 4.47Å; I676-K722 VanDerWaalsContact O-CA 3.29Å; I676-K722 WeakPolarHBondContact O-CA 3.48Å; I676-A723 HydrophobicContact CB-CB 4.25Å; I676-A723 HydrophobicContact CD1-CB 4.28Å; I676-A723 PolarHBondContact N-O 3.44Å; I676-A723 PolarHBondContact O-N 2.7Å; I676-V725 HydrophobicContact CD1-CG2 3.64Å; I676-V725 HydrophobicContact CG1-CG2 4.43Å; I676-L750 HydrophobicContact CG2-CD2 4.29Å; I676-K751 WeakPolarHBondContact CA-O 3.02Å; I676-V752 HydrophobicContact CG1-CG2 4.34Å; I676-V752 HydrophobicContact CG2-CG2 4.31Å
677E87.7Confident76Confident31 Ų3163.9 Ų63.915%0.14533%0.333CS..EExtended strand (participates in β ladder)trans-122.6161.3174-47.1-171.6122.100109.5K675 K722 K751K675-E677 HydrophobicContact CD-CG 4.23Å; K675-E677 WeakPolarHBondContact CE-OE1 3.44Å; K675-E677 HydrophobicContact CG-CG 4.36Å; K675-E677 IonicContact NZ-OE1 2.73Å; K675-E677 PolarHBondContact NZ-OE1 2.75Å; E677-K722 HydrophobicContact CG-CG 4.36Å; E677-K722 WeakPolarHBondContact OE1-CE 3.31Å; E677-K751 HydrophobicContact CB-CB 4.32Å; E677-K751 PolarHBondContact N-O 2.99Å; E677-K751 PolarHBondContact O-N 3.23Å; E677-K751 WeakPolarHBondContact OE2-CD 3.43Å; E677-K751 WeakPolarHBondContact OE2-CE 3.17Å; E677-K751 IonicContact OE2-NZ 2.64Å; E677-K751 PolarHBondContact OE2-NZ 2.67Å
678G84.5Confident78.7Confident6 Ų654.8 Ų54.86%0.06229%0.291CS..EExtended strand (participates in β ladder)trans86.113.1-177.400000115.8E720 R748G678-E720 WeakPolarHBondContact CA-OE2 3.45Å; G678-E720 PolarHBondContact N-OE2 3.08Å; G678-R748 WeakPolarHBondContact O-CB 3.39Å; G678-R748 VanDerWaalsContact O-CD 3.25Å; G678-R748 WeakPolarHBondContact O-CD 3.39Å
679L86Confident81.4Confident1 Ų147.7 Ų47.71%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-75.3153.3178.7-61.2157.8000111.2I676 T683 I688 M721 A723 L745 R748 L750I676-L679 HydrophobicContact CB-CD1 4.22Å; I676-L679 HydrophobicContact CG2-CD1 3.96Å; I676-L679 HydrophobicContact CG2-CD2 4.01Å; I676-L679 HydrophobicContact CG2-CG 3.93Å; L679-T683 HydrophobicContact CD2-CG2 3.93Å; L679-I688 HydrophobicContact CD1-CD1 3.86Å; L679-I688 HydrophobicContact CD2-CD1 4.21Å; L679-I688 HydrophobicContact CD2-CG1 4.46Å; L679-M721 HydrophobicContact CB-CB 3.73Å; L679-M721 WeakPolarHBondContact CB-O 3.31Å; L679-M721 PolarHBondContact N-O 2.94Å; L679-M721 PolarHBondContact O-N 3.42Å; L679-A723 HydrophobicContact CD1-CB 3.66Å; L679-L745 HydrophobicContact CD2-CD2 4.04Å; L679-R748 PolarHBondContact O-NH1 3.22Å; L679-R748 VanDerWaalsContact O-NH1 3.11Å; L679-L750 HydrophobicContact CD2-CD2 3.59Å; L679-L750 HydrophobicContact CG-CD2 4.1Å
680S81.8Confident83.5Confident11 Ų1148.3 Ų48.38%0.07725%0.253CS..  trans-71.8150.8174.4-165.50000110.5E682 T683 M721S680-E682 PolarHBondContact O-N 2.65Å; S680-E682 PolarHBondContact OG-N 3.22Å; S680-T683 WeakPolarHBondContact CA-OG1 2.95Å; S680-T683 WeakPolarHBondContact CB-OG1 3.45Å; S680-T683 PolarHBondContact N-OG1 3.22Å; S680-T683 WeakPolarHBondContact O-CB 3.47Å; S680-T683 PolarHBondContact O-N 3.1Å; S680-T683 PolarHBondContact O-OG1 2.91Å; S680-M721 VanDerWaalsContact O-CG 3.31Å; S680-M721 WeakPolarHBondContact O-CG 3.46Å
681P79.4Confident85Confident68 Ų6846 Ų4644%0.44224%0.237SC..THydrogen-bonded Turntrans-61-18.8166.227.3-35.5000112.4Q719P681-Q719 WeakPolarHBondContact CD-O 3.1Å
682E79Confident85.7Confident145 Ų14543.9 Ų43.968%0.67823%0.225SC*.THydrogen-bonded Turntrans-9111.3173.3-56.6175.8169.500113.3S680 D684S680-E682 PolarHBondContact O-N 2.65Å; S680-E682 PolarHBondContact OG-N 3.22Å; E682-D684 PolarHBondContact O-N 3.16Å
683T82.1Confident85.7Confident1 Ų146.1 Ų46.11%0.00624%0.242CC..  trans-89.398.1179.8-50.60000111.6L679 S680 I687 I688 L703 L745 Q746L679-T683 HydrophobicContact CD2-CG2 3.93Å; S680-T683 WeakPolarHBondContact CA-OG1 2.95Å; S680-T683 WeakPolarHBondContact CB-OG1 3.45Å; S680-T683 PolarHBondContact N-OG1 3.22Å; S680-T683 WeakPolarHBondContact O-CB 3.47Å; S680-T683 PolarHBondContact O-N 3.1Å; S680-T683 PolarHBondContact O-OG1 2.91Å; T683-I687 HydrophobicContact CG2-CB 4Å; T683-I687 HydrophobicContact CG2-CD1 4.44Å; T683-I687 HydrophobicContact CG2-CG2 4.16Å; T683-I688 HydrophobicContact CG2-CD1 4.44Å; T683-I688 HydrophobicContact CG2-CG1 4.01Å; T683-L703 WeakPolarHBondContact O-CD1 3.48Å; T683-L745 HydrophobicContact CG2-CD2 4.04Å; T683-Q746 PolarHBondContact OG1-OE1 3.12Å
684D83.7Confident85.4Confident107 Ų10746 Ų4657%0.57225%0.247SC*.  trans-72158.1170.7-73.7-46.1000113.1E682 S686 I687E682-D684 PolarHBondContact O-N 3.16Å; D684-S686 PolarHBondContact O-N 2.9Å; D684-I687 WeakPolarHBondContact O-CB 3.35Å; D684-I687 PolarHBondContact O-N 3.24Å
685E85Confident85.2Confident77 Ų7746.9 Ų46.936%0.3625%0.251SS..Hα-helixtrans-55.6-35.2178.7-169.2-171.3146.400112.4I687 I688 L689 I701 L703E685-I687 PolarHBondContact O-N 3.11Å; E685-I688 PolarHBondContact O-N 2.75Å; E685-I688 VanDerWaalsContact O-N 3.07Å; E685-L689 HydrophobicContact CG-CD1 4.3Å; E685-L689 HydrophobicContact CG-CG 4.44Å; E685-L689 WeakPolarHBondContact O-CG 3.31Å; E685-L689 PolarHBondContact O-N 2.81Å; E685-I701 HydrophobicContact CG-CB 4.15Å; E685-I701 HydrophobicContact CG-CG2 4.11Å; E685-L703 HydrophobicContact CB-CD1 4.25Å
686S83.1Confident84.9Confident76 Ų7649.6 Ų49.653%0.53128%0.275SS..Hα-helixtrans-60.3-29.2176.659.90000113.6D684 R690D684-S686 PolarHBondContact O-N 2.9Å; S686-R690 WeakPolarHBondContact O-CB 3.41Å; S686-R690 PolarHBondContact O-N 2.92Å
687I85.4Confident84.7Confident53 Ų5349.7 Ų49.727%0.27228%0.276SS..Hα-helixtrans-74.6-39.8175.5-54.3-174.8000109.8T683 D684 E685 R690 L691 L745T683-I687 HydrophobicContact CG2-CB 4Å; T683-I687 HydrophobicContact CG2-CD1 4.44Å; T683-I687 HydrophobicContact CG2-CG2 4.16Å; D684-I687 WeakPolarHBondContact O-CB 3.35Å; D684-I687 PolarHBondContact O-N 3.24Å; E685-I687 PolarHBondContact O-N 3.11Å; I687-R690 PolarHBondContact O-N 3.03Å; I687-L691 PolarHBondContact O-N 3.33Å; I687-L745 HydrophobicContact CG2-CD1 3.96Å; I687-L745 HydrophobicContact CG2-CD2 4.01Å; I687-L745 HydrophobicContact CG2-CG 4.49Å
688I86.8Confident84.6Confident0 Ų049.5 Ų49.50%028%0.277CS..Hα-helixtrans-71.6-42178.5-45.7-174.1000110.4I676 L679 T683 E685 R690 L691 F692 I701 L703 A723 V725I676-I688 HydrophobicContact CD1-CG2 3.83Å; L679-I688 HydrophobicContact CD1-CD1 3.86Å; L679-I688 HydrophobicContact CD2-CD1 4.21Å; L679-I688 HydrophobicContact CD2-CG1 4.46Å; T683-I688 HydrophobicContact CG2-CD1 4.44Å; T683-I688 HydrophobicContact CG2-CG1 4.01Å; E685-I688 PolarHBondContact O-N 2.75Å; E685-I688 VanDerWaalsContact O-N 3.07Å; I688-R690 PolarHBondContact O-N 2.82Å; I688-L691 WeakPolarHBondContact O-CB 3.46Å; I688-L691 PolarHBondContact O-N 3.29Å; I688-L691 VanDerWaalsContact O-N 3.1Å; I688-F692 HydrophobicContact CG2-CD2 3.81Å; I688-F692 HydrophobicContact CG2-CE2 4.07Å; I688-F692 WeakPolarHBondContact O-CB 3.25Å; I688-F692 WeakPolarHBondContact O-CD2 3.22Å; I688-F692 PolarHBondContact O-N 3.01Å; I688-I701 HydrophobicContact CB-CD1 4.06Å; I688-I701 HydrophobicContact CB-CG2 4.2Å; I688-I701 HydrophobicContact CD1-CG2 4.33Å; I688-I701 HydrophobicContact CG2-CD1 3.8Å; I688-I701 HydrophobicContact CG2-CG2 4.09Å; I688-L703 HydrophobicContact CD1-CD2 3.61Å; I688-L703 HydrophobicContact CD1-CG 4.38Å; I688-A723 HydrophobicContact CD1-CB 3.59Å; I688-V725 HydrophobicContact CG2-CG2 4.23Å
689L83.7Confident84.8Confident67 Ų6750.7 Ų50.735%0.35128%0.282SS..Hα-helixtrans-54.9-40.1171.2-75169.2000111.7E685 F692 S693 I701E685-L689 HydrophobicContact CG-CD1 4.3Å; E685-L689 HydrophobicContact CG-CG 4.44Å; E685-L689 WeakPolarHBondContact O-CG 3.31Å; E685-L689 PolarHBondContact O-N 2.81Å; L689-F692 PolarHBondContact O-N 2.87Å; L689-S693 WeakPolarHBondContact O-CB 3.44Å; L689-S693 PolarHBondContact O-N 2.96Å; L689-I701 HydrophobicContact CB-CD1 4.49Å; L689-I701 HydrophobicContact CD2-CD1 3.68Å; L689-I701 HydrophobicContact CD2-CG1 4.13Å; L689-I701 HydrophobicContact CG-CD1 3.91Å
690R85.3Confident84.8Confident122 Ų12252.5 Ų52.546%0.4630%0.295SS..Hα-helixtrans-77.4-24.1177.8-168.1170.6179.9-170.5-5.5114L635 P636 S686 I687 I688 S693L635-R690 PolarHBondContact O-NH2 2.85Å; P636-R690 PolarHBondContact O-NH2 2.91Å; S686-R690 WeakPolarHBondContact O-CB 3.41Å; S686-R690 PolarHBondContact O-N 2.92Å; I687-R690 PolarHBondContact O-N 3.03Å; I688-R690 PolarHBondContact O-N 2.82Å; R690-S693 PolarHBondContact O-OG 2.89Å
691L87.6Confident85.1Confident25 Ų2552.7 Ų52.713%0.13130%0.295CS..Hα-helixtrans-73.5-36.6169.3-175.669.1000111.3I687 I688 L740 Y743 L750I687-L691 PolarHBondContact O-N 3.33Å; I688-L691 WeakPolarHBondContact O-CB 3.46Å; I688-L691 PolarHBondContact O-N 3.29Å; I688-L691 VanDerWaalsContact O-N 3.1Å; L691-L740 HydrophobicContact CD1-CD2 3.87Å; L691-L740 HydrophobicContact CD2-CD1 4.41Å; L691-L740 HydrophobicContact CD2-CD2 4.46Å; L691-L740 HydrophobicContact CG-CD1 4.23Å; L691-L740 HydrophobicContact CG-CD2 3.95Å; L691-Y743 HydrophobicContact CD1-CD1 3.83Å; L691-Y743 HydrophobicContact CD1-CE1 3.65Å; L691-Y743 HydrophobicContact CD1-CG 4.4Å; L691-L750 HydrophobicContact CD2-CD1 3.41Å; L691-L750 VanDerWaalsContact CD2-CD1 3.41Å
692F89.5Confident85.4Confident3 Ų353.4 Ų53.41%0.01329%0.292CS..Hα-helixtrans-92.4-1.4-177.4-86.5-99.6000114.6L674 I676 I688 L689 A694 F695 V698 V725 M727 A736 L740L674-F692 HydrophobicContact CD1-CE1 4.15Å; I676-F692 HydrophobicContact CD1-CD2 4.44Å; I676-F692 HydrophobicContact CD1-CE2 3.42Å; I676-F692 VanDerWaalsContact CD1-CE2 3.42Å; I676-F692 HydrophobicContact CD1-CZ 3.76Å; I676-F692 HydrophobicContact CG1-CZ 4.47Å; I688-F692 HydrophobicContact CG2-CD2 3.81Å; I688-F692 HydrophobicContact CG2-CE2 4.07Å; I688-F692 WeakPolarHBondContact O-CB 3.25Å; I688-F692 WeakPolarHBondContact O-CD2 3.22Å; I688-F692 PolarHBondContact O-N 3.01Å; L689-F692 PolarHBondContact O-N 2.87Å; F692-A694 PolarHBondContact O-N 2.99Å; F692-F695 HydrophobicContact CD1-CD2 4.15Å; F692-F695 PolarHBondContact O-N 3.23Å; F692-V698 HydrophobicContact CB-CG2 4.11Å; F692-V698 HydrophobicContact CD1-CG2 3.84Å; F692-V698 HydrophobicContact CG-CG2 4.4Å; F692-V725 HydrophobicContact CD1-CG1 3.91Å; F692-V725 HydrophobicContact CE1-CB 4.31Å; F692-V725 HydrophobicContact CE1-CG1 3.88Å; F692-V725 HydrophobicContact CE1-CG2 4.4Å; F692-V725 HydrophobicContact CE2-CG2 4.24Å; F692-V725 HydrophobicContact CG-CG1 4.47Å; F692-V725 HydrophobicContact CZ-CB 4.43Å; F692-V725 HydrophobicContact CZ-CG1 4.45Å; F692-V725 HydrophobicContact CZ-CG2 4.15Å; F692-M727 HydrophobicContact CD1-SD 4.48Å; F692-M727 HydrophobicContact CE1-SD 4.19Å; F692-A736 HydrophobicContact CE1-CB 3.99Å; F692-L740 HydrophobicContact CD1-CD1 4.21Å; F692-L740 HydrophobicContact CD2-CD1 3.88Å; F692-L740 HydrophobicContact CE1-CD1 3.81Å; F692-L740 HydrophobicContact CE2-CD1 3.42Å; F692-L740 VanDerWaalsContact CE2-CD1 3.42Å; F692-L740 HydrophobicContact CG-CD1 4.25Å; F692-L740 HydrophobicContact CZ-CD1 3.4Å
693S84.7Confident85.7Confident65 Ų6548.6 Ų48.646%0.45527%0.271SS..THydrogen-bonded Turntrans-64.4-7.9-176.5670000115L689 R690 F695L689-S693 WeakPolarHBondContact O-CB 3.44Å; L689-S693 PolarHBondContact O-N 2.96Å; R690-S693 PolarHBondContact O-OG 2.89Å; S693-F695 VanDerWaalsContact C-N 3.32Å
694A83.9Confident85.6Confident42 Ų4251.5 Ų51.535%0.34729%0.286SS..THydrogen-bonded Turntrans-79.6-11.1169.800000113.7L641 F692 P696L641-A694 HydrophobicContact CD1-CB 3.99Å; L641-A694 HydrophobicContact CD2-CB 4.37Å; F692-A694 PolarHBondContact O-N 2.99Å; A694-P696 WeakPolarHBondContact O-CD 3.39Å
695F88Confident85Confident19 Ų1950.3 Ų50.38%0.08328%0.284CS..  trans-116.490.3-175.5-56.7-73.8000110.6F692 S693 S697 V698 M727 Q732 L735 A736 L740F692-F695 HydrophobicContact CD1-CD2 4.15Å; F692-F695 PolarHBondContact O-N 3.23Å; S693-F695 VanDerWaalsContact C-N 3.32Å; F695-S697 PolarHBondContact O-N 3.14Å; F695-V698 HydrophobicContact CB-CG2 4.25Å; F695-V698 WeakPolarHBondContact O-CG2 3.4Å; F695-V698 PolarHBondContact O-N 2.79Å; F695-M727 HydrophobicContact CB-CE 3.72Å; F695-M727 HydrophobicContact CD1-CE 4.48Å; F695-M727 HydrophobicContact CG-CE 4.16Å; F695-Q732 HydrophobicContact CD1-CB 4.36Å; F695-L735 HydrophobicContact CE1-CB 3.86Å; F695-A736 HydrophobicContact CD1-CB 4.18Å; F695-A736 HydrophobicContact CD2-CB 3.97Å; F695-A736 HydrophobicContact CE1-CB 4.04Å; F695-A736 HydrophobicContact CE2-CB 3.82Å; F695-A736 HydrophobicContact CG-CB 4.16Å; F695-A736 VanDerWaalsContact CZ-CA 3.48Å; F695-A736 HydrophobicContact CZ-CB 3.86Å; F695-L740 HydrophobicContact CE2-CD1 3.99Å; F695-L740 HydrophobicContact CE2-CG 4.31Å
696P83.6Confident83.7Confident121 Ų12149.6 Ų49.679%0.78628%0.283SS*.THydrogen-bonded Turntrans-64-3.6-177.525.2-35.5000115.5A694A694-P696 WeakPolarHBondContact O-CD 3.39Å
697S87.2Confident82.2Confident3 Ų352.4 Ų52.42%0.02129%0.292CS..THydrogen-bonded Turntrans-84.7-1174.466.80000115.8F695 L699 M727 S728 D729 Q732F695-S697 PolarHBondContact O-N 3.14Å; S697-L699 PolarHBondContact O-N 3.28Å; S697-M727 CarbonylContact O-C 3.43Å; S697-M727 VanDerWaalsContact O-CA 3.28Å; S697-M727 WeakPolarHBondContact O-CA 3.44Å; S697-M727 VanDerWaalsContact OG-CE 3.23Å; S697-M727 WeakPolarHBondContact OG-CE 3.4Å; S697-S728 WeakPolarHBondContact CB-OG 3.3Å; S697-S728 PolarHBondContact O-N 3.45Å; S697-S728 PolarHBondContact O-OG 2.97Å; S697-D729 VanDerWaalsContact CB-CB 3.42Å; S697-Q732 VanDerWaalsContact N-OE1 3.09Å; S697-Q732 WeakPolarHBondContact OG-CB 3.3Å; S697-Q732 PolarHBondContact OG-OE1 3.47Å
698V87.3Confident80.3Confident28 Ų2857.9 Ų57.917%0.1732%0.316CS..EExtended strand (participates in β ladder)trans-67.2120.1-179.9174.60000111.1F692 F695 I701 V725 M727F692-V698 HydrophobicContact CB-CG2 4.11Å; F692-V698 HydrophobicContact CD1-CG2 3.84Å; F692-V698 HydrophobicContact CG-CG2 4.4Å; F695-V698 HydrophobicContact CB-CG2 4.25Å; F695-V698 WeakPolarHBondContact O-CG2 3.4Å; F695-V698 PolarHBondContact O-N 2.79Å; V698-I701 HydrophobicContact CG1-CD1 4.37Å; V698-I701 HydrophobicContact CG1-CG1 4.07Å; V698-V725 HydrophobicContact CG1-CG1 3.9Å; V698-V725 HydrophobicContact CG2-CG1 4.07Å; V698-M727 HydrophobicContact CG2-CE 4.23Å; V698-M727 HydrophobicContact CG2-CG 3.97Å; V698-M727 HydrophobicContact CG2-SD 4.35Å
699L86.8Confident77.9Confident30 Ų3065.6 Ų65.616%0.15736%0.357CS..EExtended strand (participates in β ladder)trans-101.4-27.7-178.6-65.5-174000114.1N671 S697 V726 F766 F769 L770N671-L699 WeakPolarHBondContact OD1-CD1 3.41Å; S697-L699 PolarHBondContact O-N 3.28Å; L699-V726 PolarHBondContact N-O 3.24Å; L699-F766 HydrophobicContact CD1-CD1 4.28Å; L699-F769 VanDerWaalsContact O-CB 3.23Å; L699-F769 WeakPolarHBondContact O-CB 3.19Å; L699-L770 HydrophobicContact CD2-CD2 3.76Å; L699-L770 HydrophobicContact CD2-CG 4.28Å
700S86.8Confident75.6Confident40 Ų4070.6 Ų70.628%0.2838%0.384SS..EExtended strand (participates in β ladder)trans-164.3156.5173.962.90000111.6V725 V726S700-V725 WeakPolarHBondContact O-CA 3.22Å; S700-V726 PolarHBondContact N-O 3.44Å; S700-V726 PolarHBondContact O-N 3.1Å; S700-V726 WeakPolarHBondContact OG-CB 3.37Å; S700-V726 WeakPolarHBondContact OG-CG2 3.34Å
701I87.4Confident73.2Confident15 Ų1567.9 Ų67.98%0.07739%0.394CS..EExtended strand (participates in β ladder)trans-127.1136.3170.5-54.8-164.8000107.3E685 I688 L689 V698 L724 V725E685-I701 HydrophobicContact CG-CB 4.15Å; E685-I701 HydrophobicContact CG-CG2 4.11Å; I688-I701 HydrophobicContact CB-CD1 4.06Å; I688-I701 HydrophobicContact CB-CG2 4.2Å; I688-I701 HydrophobicContact CD1-CG2 4.33Å; I688-I701 HydrophobicContact CG2-CD1 3.8Å; I688-I701 HydrophobicContact CG2-CG2 4.09Å; L689-I701 HydrophobicContact CB-CD1 4.49Å; L689-I701 HydrophobicContact CD2-CD1 3.68Å; L689-I701 HydrophobicContact CD2-CG1 4.13Å; L689-I701 HydrophobicContact CG-CD1 3.91Å; V698-I701 HydrophobicContact CG1-CD1 4.37Å; V698-I701 HydrophobicContact CG1-CG1 4.07Å; I701-L724 CarbonylContact C-O 3.52Å; I701-L724 WeakPolarHBondContact CA-O 3.45Å; I701-V725 HydrophobicContact CD1-CG2 4.22Å; I701-V725 HydrophobicContact CG1-CG1 4.29Å; I701-V725 HydrophobicContact CG1-CG2 4.07Å; I701-V725 HydrophobicContact CG2-CG2 4.17Å
702Q86.4Confident70.6Confident83 Ų8375.3 Ų75.339%0.38843%0.428SS..EExtended strand (participates in β ladder)trans-133.1116.1172.3-177.2163.6-35.100110.4L704 A723 L724Q702-L704 HydrophobicContact CG-CD2 4.36Å; Q702-A723 CarbonylContact O-C 3.55Å; Q702-A723 VanDerWaalsContact O-CA 3.3Å; Q702-A723 WeakPolarHBondContact O-CA 3.05Å; Q702-L724 PolarHBondContact N-O 3.19Å; Q702-L724 PolarHBondContact O-N 2.87Å
703L85.8Confident68Low43 Ų4381.1 Ų81.123%0.22546%0.459CS..EExtended strand (participates in β ladder)trans-69.6138.5168.8-77.5170.1000110.7T683 E685 I688 M721 A723T683-L703 WeakPolarHBondContact O-CD1 3.48Å; E685-L703 HydrophobicContact CB-CD1 4.25Å; I688-L703 HydrophobicContact CD1-CD2 3.61Å; I688-L703 HydrophobicContact CD1-CG 4.38Å; L703-M721 HydrophobicContact CB-CE 4.35Å; L703-M721 HydrophobicContact CD1-CE 4.17Å; L703-M721 HydrophobicContact CD2-CE 4.12Å; L703-M721 HydrophobicContact CG-CE 4.46Å; L703-A723 HydrophobicContact CD2-CB 4.3Å
704L79.6Confident65.6Low62 Ų6284.4 Ų84.433%0.32547%0.472SS..EExtended strand (participates in β ladder)trans-126.6110.2176.7-65.3177.7000108.9Q702 K722 L724Q702-L704 HydrophobicContact CG-CD2 4.36Å; L704-K722 HydrophobicContact CB-CB 4.21Å; L704-K722 PolarHBondContact N-O 2.94Å; L704-K722 PolarHBondContact O-N 3.34Å; L704-L724 HydrophobicContact CD1-CD1 3.93Å; L704-L724 HydrophobicContact CD1-CG 3.9Å
705P71.4Confident63.6Low83 Ų8388.7 Ų88.754%0.53949%0.489SS..EExtended strand (participates in β ladder)trans-66.4141.1168.628.8-33.3000109.6N707 M721P705-N707 PolarHBondContact O-N 3.44Å; P705-M721 HydrophobicContact CB-SD 4.18Å
706N58.4Low61.2Low62 Ų6295.9 Ų95.933%0.33253%0.528SS..  trans-73.670.3176.8-86.7-47.9000111.9E720 K722N706-E720 PolarHBondContact ND2-O 3.04Å; N706-K722 VanDerWaalsContact OD1-CD 3.3Å; N706-K722 WeakPolarHBondContact OD1-CD 3.04Å; N706-K722 WeakPolarHBondContact OD1-CE 3.28Å; N706-K722 PolarHBondContact OD1-NZ 3.5Å
707N50Low59.6Low135 Ų13597.4 Ų97.472%0.72253%0.53SS*.  trans-10855.5173.6-80.32.5000111.4P705P705-N707 PolarHBondContact O-N 3.44Å
708E46.9Very low58.1Low167 Ų167104.9 Ų104.978%0.7856%0.562SS**SBendtrans-111.1118.3161.6-72.2-172.9126.200109.2
709L36.7Very low56.6Low162 Ų162110.3 Ų110.385%0.84859%0.585SS**  trans14.7106.4168.1-61.6114.4000118.3
710N34.8Very low55.9Low172 Ų172112.5 Ų112.592%0.9260%0.595SS**  -150.2134128.2-97.4-39.5000110.4
711G34.5Very low55.6Low66 Ų66112.3 Ų112.368%0.6859%0.59SS**  trans-102.3142.3173.500000110.7
712E33.6Very low55.6Low180 Ų180114.1 Ų114.184%0.84160%0.597SS**SBendtrans67.1154.6175.6-51-16914600117.5
713N34.7Very low55.7Low126 Ų126110.2 Ų110.267%0.67458%0.579SS**  trans72.981.6163.8-55.8-61.6000119.4
714N33.5Very low56Low134 Ų134109.7 Ų109.772%0.71758%0.576SS**  65.8144.4122.5-54.4-36.3000121.3
715N41.6Very low56.5Low132 Ų132106.8 Ų106.871%0.70656%0.561SS**  trans79.384.3166.2-48-38.7000117.3D717N715-D717 PolarHBondContact O-N 3.26Å
716N38.6Very low57.5Low169 Ų169103.3 Ų103.390%0.90454%0.538SS*.  trans48.41132-62.2-6.8000122.6K718N716-K718 PolarHBondContact O-N 3.25Å
717D49.7Very low58.9Low153 Ų153100.4 Ų100.482%0.81852%0.523SS*.  trans-7992.8-177.2-82.7-36000112N715 Q719N715-D717 PolarHBondContact O-N 3.26Å; D717-Q719 PolarHBondContact O-N 3.07Å
718K55.1Low60.8Low160 Ų16096.8 Ų96.870%0.69651%0.508SS*.  trans12.794.5152.7-64.9171.8-176.3166.90114.4N716 E720N716-K718 PolarHBondContact O-N 3.25Å; K718-E720 PolarHBondContact O-N 2.92Å
719Q57.3Low62.7Low142 Ų14291.5 Ų91.566%0.66449%0.485SS*.  trans-50.3132160.9-74.5177-40.200109.4P681 D717 R748P681-Q719 WeakPolarHBondContact CD-O 3.1Å; D717-Q719 PolarHBondContact O-N 3.07Å; Q719-R748 PolarHBondContact O-NH1 3.39Å; Q719-R748 PolarHBondContact O-NH2 2.66Å; Q719-R748 VanDerWaalsContact O-NH2 3.1Å
720E70.9Confident65.1Low77 Ų7789.2 Ų89.236%0.3647%0.466SS..  trans-105.5152.2170.5-49.1-144.7120.700109.6G678 N706 K718 R748G678-E720 WeakPolarHBondContact CA-OE2 3.45Å; G678-E720 PolarHBondContact N-OE2 3.08Å; N706-E720 PolarHBondContact ND2-O 3.04Å; K718-E720 PolarHBondContact O-N 2.92Å; E720-R748 IonicContact OE1-NH1 3.78Å
721M80.5Confident67.5Low36 Ų3685.8 Ų85.818%0.17745%0.445CS..EExtended strand (participates in β ladder)trans-95.3151.5164.6-75.8-83-105.600109.5L679 S680 L703 P705L679-M721 HydrophobicContact CB-CB 3.73Å; L679-M721 WeakPolarHBondContact CB-O 3.31Å; L679-M721 PolarHBondContact N-O 2.94Å; L679-M721 PolarHBondContact O-N 3.42Å; S680-M721 VanDerWaalsContact O-CG 3.31Å; S680-M721 WeakPolarHBondContact O-CG 3.46Å; L703-M721 HydrophobicContact CB-CE 4.35Å; L703-M721 HydrophobicContact CD1-CE 4.17Å; L703-M721 HydrophobicContact CD2-CE 4.12Å; L703-M721 HydrophobicContact CG-CE 4.46Å; P705-M721 HydrophobicContact CB-SD 4.18Å
722K87.4Confident70Confident53 Ų5384.6 Ų84.623%0.2342%0.421CS..EExtended strand (participates in β ladder)trans-114.3157.6166-72.1171.8179.9146.40108.7I676 E677 L704 N706I676-K722 VanDerWaalsContact O-CA 3.29Å; I676-K722 WeakPolarHBondContact O-CA 3.48Å; E677-K722 HydrophobicContact CG-CG 4.36Å; E677-K722 WeakPolarHBondContact OE1-CE 3.31Å; L704-K722 HydrophobicContact CB-CB 4.21Å; L704-K722 PolarHBondContact N-O 2.94Å; L704-K722 PolarHBondContact O-N 3.34Å; N706-K722 VanDerWaalsContact OD1-CD 3.3Å; N706-K722 WeakPolarHBondContact OD1-CD 3.04Å; N706-K722 WeakPolarHBondContact OD1-CE 3.28Å; N706-K722 PolarHBondContact OD1-NZ 3.5Å
723A89Confident72.7Confident0 Ų076 Ų760%038%0.381CS..EExtended strand (participates in β ladder)trans-136.9149.5168.100000111.2I676 L679 I688 Q702 L703I676-A723 HydrophobicContact CB-CB 4.25Å; I676-A723 HydrophobicContact CD1-CB 4.28Å; I676-A723 PolarHBondContact N-O 3.44Å; I676-A723 PolarHBondContact O-N 2.7Å; L679-A723 HydrophobicContact CD1-CB 3.66Å; I688-A723 HydrophobicContact CD1-CB 3.59Å; Q702-A723 CarbonylContact O-C 3.55Å; Q702-A723 VanDerWaalsContact O-CA 3.3Å; Q702-A723 WeakPolarHBondContact O-CA 3.05Å; L703-A723 HydrophobicContact CD2-CB 4.3Å
724L91.2Very high75.2Confident33 Ų3374 Ų7417%0.17337%0.367CS..EExtended strand (participates in β ladder)trans-105133.8163-63.5176.8000108.4I673 L674 K675 I701 Q702 L704I673-L724 HydrophobicContact CG2-CB 4.42Å; I673-L724 HydrophobicContact CG2-CD2 4.15Å; L674-L724 WeakPolarHBondContact O-CA 3.49Å; K675-L724 HydrophobicContact CB-CD2 4.19Å; K675-L724 HydrophobicContact CG-CD2 4.17Å; I701-L724 CarbonylContact C-O 3.52Å; I701-L724 WeakPolarHBondContact CA-O 3.45Å; Q702-L724 PolarHBondContact N-O 3.19Å; Q702-L724 PolarHBondContact O-N 2.87Å; L704-L724 HydrophobicContact CD1-CD1 3.93Å; L704-L724 HydrophobicContact CD1-CG 3.9Å
725V91.4Very high77.8Confident0 Ų071.5 Ų71.50%035%0.353CS..EExtended strand (participates in β ladder)trans-122.1124.4173.41790000107.9L674 I676 I688 F692 V698 S700 I701 M727L674-V725 HydrophobicContact CB-CB 4.46Å; L674-V725 PolarHBondContact N-O 2.81Å; L674-V725 PolarHBondContact O-N 2.97Å; I676-V725 HydrophobicContact CD1-CG2 3.64Å; I676-V725 HydrophobicContact CG1-CG2 4.43Å; I688-V725 HydrophobicContact CG2-CG2 4.23Å; F692-V725 HydrophobicContact CD1-CG1 3.91Å; F692-V725 HydrophobicContact CE1-CB 4.31Å; F692-V725 HydrophobicContact CE1-CG1 3.88Å; F692-V725 HydrophobicContact CE1-CG2 4.4Å; F692-V725 HydrophobicContact CE2-CG2 4.24Å; F692-V725 HydrophobicContact CG-CG1 4.47Å; F692-V725 HydrophobicContact CZ-CB 4.43Å; F692-V725 HydrophobicContact CZ-CG1 4.45Å; F692-V725 HydrophobicContact CZ-CG2 4.15Å; V698-V725 HydrophobicContact CG1-CG1 3.9Å; V698-V725 HydrophobicContact CG2-CG1 4.07Å; S700-V725 WeakPolarHBondContact O-CA 3.22Å; I701-V725 HydrophobicContact CD1-CG2 4.22Å; I701-V725 HydrophobicContact CG1-CG1 4.29Å; I701-V725 HydrophobicContact CG1-CG2 4.07Å; I701-V725 HydrophobicContact CG2-CG2 4.17Å; V725-M727 HydrophobicContact CG1-CG 4.1Å
726V91.4Very high80.1Confident11 Ų1165.2 Ų65.27%0.06732%0.319CS..EExtended strand (participates in β ladder)trans-102.4131-179.5-169.70000109N671 I673 L699 S700 F766N671-V726 HydrophobicContact CB-CG1 3.84Å; I673-V726 HydrophobicContact CG1-CG1 4.35Å; I673-V726 HydrophobicContact CG1-CG2 4.28Å; L699-V726 PolarHBondContact N-O 3.24Å; S700-V726 PolarHBondContact N-O 3.44Å; S700-V726 PolarHBondContact O-N 3.1Å; S700-V726 WeakPolarHBondContact OG-CB 3.37Å; S700-V726 WeakPolarHBondContact OG-CG2 3.34Å; V726-F766 HydrophobicContact CG1-CE1 3.96Å
727M88.8Confident82.6Confident0 Ų059.5 Ų59.50%029%0.288CS..EExtended strand (participates in β ladder)trans-129.8134.5-174.1-61.9178.768.300110.9N671 T672 L674 F692 F695 S697 V698 V725 D729 Q732 A733 A736N671-M727 CarbonylContact C-O 3.59Å; N671-M727 WeakPolarHBondContact CA-O 3.47Å; T672-M727 PolarHBondContact N-O 2.97Å; T672-M727 PolarHBondContact O-N 3.35Å; L674-M727 HydrophobicContact CD1-SD 3.52Å; L674-M727 VanDerWaalsContact CD1-SD 3.52Å; L674-M727 HydrophobicContact CG-SD 4.12Å; F692-M727 HydrophobicContact CD1-SD 4.48Å; F692-M727 HydrophobicContact CE1-SD 4.19Å; F695-M727 HydrophobicContact CB-CE 3.72Å; F695-M727 HydrophobicContact CD1-CE 4.48Å; F695-M727 HydrophobicContact CG-CE 4.16Å; S697-M727 CarbonylContact O-C 3.43Å; S697-M727 VanDerWaalsContact O-CA 3.28Å; S697-M727 WeakPolarHBondContact O-CA 3.44Å; S697-M727 VanDerWaalsContact OG-CE 3.23Å; S697-M727 WeakPolarHBondContact OG-CE 3.4Å; V698-M727 HydrophobicContact CG2-CE 4.23Å; V698-M727 HydrophobicContact CG2-CG 3.97Å; V698-M727 HydrophobicContact CG2-SD 4.35Å; V725-M727 HydrophobicContact CG1-CG 4.1Å; M727-D729 VanDerWaalsContact C-N 3.32Å; M727-Q732 HydrophobicContact CE-CB 3.93Å; M727-A733 HydrophobicContact CB-CB 4.3Å; M727-A733 HydrophobicContact CE-CB 4.35Å; M727-A733 HydrophobicContact SD-CB 4.01Å; M727-A736 HydrophobicContact CE-CB 4.11Å; M727-A736 HydrophobicContact SD-CB 4.12Å
728S88.2Confident84.3Confident60 Ų6058.9 Ų58.942%0.4228%0.28SS..SBendtrans-76-16.5179.356.40000114.4S697S697-S728 WeakPolarHBondContact CB-OG 3.3Å; S697-S728 PolarHBondContact O-N 3.45Å; S697-S728 PolarHBondContact O-OG 2.97Å
729D87.1Confident85.9Confident56 Ų5658.6 Ų58.630%0.29928%0.276SS..  trans-120.8122.4-173.8-178.5-39.5000110S697 M727 E731 Q732 A733S697-D729 VanDerWaalsContact CB-CB 3.42Å; M727-D729 VanDerWaalsContact C-N 3.32Å; D729-E731 WeakPolarHBondContact OD1-CA 3.24Å; D729-E731 PolarHBondContact OD1-N 3.48Å; D729-Q732 HydrophobicContact CB-CB 4Å; D729-Q732 HydrophobicContact CB-CG 4.09Å; D729-Q732 PolarHBondContact OD1-N 2.72Å; D729-Q732 PolarHBondContact OD2-NE2 2.84Å; D729-A733 WeakPolarHBondContact O-CB 3.19Å; D729-A733 PolarHBondContact O-N 3.3Å
730Y87.6Confident87.4Confident114 Ų11452.4 Ų52.445%0.44725%0.247SC..Hα-helixtrans-73.7-31.5-177.1179.4-127.9000113.6T672 A733 K734T672-Y730 HydrophobicContact CG2-CD2 4.42Å; Y730-A733 PolarHBondContact O-N 2.8Å; Y730-K734 HydrophobicContact CE1-CD 4.39Å; Y730-K734 VanDerWaalsContact CE1-CE 3.46Å; Y730-K734 HydrophobicContact CE2-CG 4.45Å; Y730-K734 WeakPolarHBondContact O-CG 3.29Å; Y730-K734 PolarHBondContact O-N 2.93Å
731E85.5Confident88.2Confident100 Ų10052.8 Ų52.847%0.46725%0.251SS..Hα-helixtrans-75.3-39.8176.4-58.6-49.9125.500110.6D729 A733 K734 L735D729-E731 WeakPolarHBondContact OD1-CA 3.24Å; D729-E731 PolarHBondContact OD1-N 3.48Å; E731-A733 VanDerWaalsContact C-N 3.3Å; E731-A733 PolarHBondContact O-N 2.99Å; E731-K734 WeakPolarHBondContact O-CB 3.44Å; E731-K734 PolarHBondContact O-N 2.97Å; E731-K734 IonicContact OE1-NZ 3.54Å; E731-K734 PolarHBondContact OE1-NZ 3.42Å; E731-K734 WeakPolarHBondContact OE2-CD 3.37Å; E731-K734 IonicContact OE2-NZ 2.67Å; E731-K734 PolarHBondContact OE2-NZ 2.9Å; E731-L735 VanDerWaalsContact O-CG 3.27Å; E731-L735 WeakPolarHBondContact O-CG 3.13Å; E731-L735 PolarHBondContact O-N 2.9Å
732Q88Confident88.3Confident41 Ų4153.2 Ų53.219%0.19227%0.265CS..Hα-helixtrans-62.6-37.5169-68.4-178.457.900111.9F695 S697 M727 D729 L735 A736F695-Q732 HydrophobicContact CD1-CB 4.36Å; S697-Q732 VanDerWaalsContact N-OE1 3.09Å; S697-Q732 WeakPolarHBondContact OG-CB 3.3Å; S697-Q732 PolarHBondContact OG-OE1 3.47Å; M727-Q732 HydrophobicContact CE-CB 3.93Å; D729-Q732 HydrophobicContact CB-CB 4Å; D729-Q732 HydrophobicContact CB-CG 4.09Å; D729-Q732 PolarHBondContact OD1-N 2.72Å; D729-Q732 PolarHBondContact OD2-NE2 2.84Å; Q732-L735 PolarHBondContact O-N 2.83Å; Q732-A736 WeakPolarHBondContact O-CB 3.34Å; Q732-A736 PolarHBondContact O-N 2.83Å
733A89.8Confident88.3Confident0 Ų055.3 Ų55.30%027%0.272CS..Hα-helixtrans-65.5-38.7175.100000112.7T672 L674 M727 D729 Y730 E731 A736 I737T672-A733 HydrophobicContact CG2-CB 3.67Å; L674-A733 HydrophobicContact CD2-CB 4.29Å; M727-A733 HydrophobicContact CB-CB 4.3Å; M727-A733 HydrophobicContact CE-CB 4.35Å; M727-A733 HydrophobicContact SD-CB 4.01Å; D729-A733 WeakPolarHBondContact O-CB 3.19Å; D729-A733 PolarHBondContact O-N 3.3Å; Y730-A733 PolarHBondContact O-N 2.8Å; E731-A733 VanDerWaalsContact C-N 3.3Å; E731-A733 PolarHBondContact O-N 2.99Å; A733-A736 PolarHBondContact O-N 2.8Å; A733-I737 WeakPolarHBondContact O-CG1 3.32Å; A733-I737 PolarHBondContact O-N 3.4Å
734K87Confident88.1Confident84 Ų8460 Ų6037%0.36530%0.301SS..Hα-helixtrans-61.2-45.8170-76.6161.9166.8169.80112Y730 E731 A736 I737 H738Y730-K734 HydrophobicContact CE1-CD 4.39Å; Y730-K734 VanDerWaalsContact CE1-CE 3.46Å; Y730-K734 HydrophobicContact CE2-CG 4.45Å; Y730-K734 WeakPolarHBondContact O-CG 3.29Å; Y730-K734 PolarHBondContact O-N 2.93Å; E731-K734 WeakPolarHBondContact O-CB 3.44Å; E731-K734 PolarHBondContact O-N 2.97Å; E731-K734 IonicContact OE1-NZ 3.54Å; E731-K734 PolarHBondContact OE1-NZ 3.42Å; E731-K734 WeakPolarHBondContact OE2-CD 3.37Å; E731-K734 IonicContact OE2-NZ 2.67Å; E731-K734 PolarHBondContact OE2-NZ 2.9Å; K734-A736 VanDerWaalsContact C-N 3.34Å; K734-I737 PolarHBondContact O-N 2.87Å; K734-H738 WeakPolarHBondContact O-CB 3.33Å; K734-H738 PolarHBondContact O-N 2.81Å
735L88.8Confident87.7Confident81 Ų8159.6 Ų59.642%0.42430%0.299SS..Hα-helixtrans-64.3-39.9178.9-67.6167.3000111.2F695 E731 Q732 H738 Y739F695-L735 HydrophobicContact CE1-CB 3.86Å; E731-L735 VanDerWaalsContact O-CG 3.27Å; E731-L735 WeakPolarHBondContact O-CG 3.13Å; E731-L735 PolarHBondContact O-N 2.9Å; Q732-L735 PolarHBondContact O-N 2.83Å; L735-H738 PolarHBondContact O-N 3.17Å; L735-Y739 HydrophobicContact CB-CD2 4.38Å; L735-Y739 HydrophobicContact CB-CE2 4.5Å; L735-Y739 HydrophobicContact CD2-CE2 4.02Å; L735-Y739 VanDerWaalsContact O-CD2 3.24Å; L735-Y739 WeakPolarHBondContact O-CD2 3.35Å; L735-Y739 PolarHBondContact O-N 2.77Å
736A89.6Confident87.2Confident0 Ų063.1 Ų63.10%032%0.315CS..Hα-helixtrans-62.8-44.3173.700000112.2L674 F692 F695 M727 Q732 A733 K734 H738 L740L674-A736 HydrophobicContact CD1-CB 3.88Å; F692-A736 HydrophobicContact CE1-CB 3.99Å; F695-A736 HydrophobicContact CD1-CB 4.18Å; F695-A736 HydrophobicContact CD2-CB 3.97Å; F695-A736 HydrophobicContact CE1-CB 4.04Å; F695-A736 HydrophobicContact CE2-CB 3.82Å; F695-A736 HydrophobicContact CG-CB 4.16Å; F695-A736 VanDerWaalsContact CZ-CA 3.48Å; F695-A736 HydrophobicContact CZ-CB 3.86Å; M727-A736 HydrophobicContact CE-CB 4.11Å; M727-A736 HydrophobicContact SD-CB 4.12Å; Q732-A736 WeakPolarHBondContact O-CB 3.34Å; Q732-A736 PolarHBondContact O-N 2.83Å; A733-A736 PolarHBondContact O-N 2.8Å; K734-A736 VanDerWaalsContact C-N 3.34Å; A736-H738 VanDerWaalsContact C-N 3.35Å; A736-H738 PolarHBondContact O-N 2.86Å; A736-L740 HydrophobicContact CB-CD1 4.44Å; A736-L740 WeakPolarHBondContact O-CB 3.23Å; A736-L740 WeakPolarHBondContact O-CG 3.46Å; A736-L740 PolarHBondContact O-N 2.98Å
737I89.9Confident86.6Confident48 Ų4870.8 Ų70.825%0.24636%0.356CS..Hα-helixtrans-57.2-48.9170.4-68.6163.5000110.3L674 A733 K734 Y739 N741 V752 K754L674-I737 HydrophobicContact CD1-CG1 4.23Å; L674-I737 HydrophobicContact CD2-CD1 3.57Å; L674-I737 HydrophobicContact CD2-CG1 3.62Å; A733-I737 WeakPolarHBondContact O-CG1 3.32Å; A733-I737 PolarHBondContact O-N 3.4Å; K734-I737 PolarHBondContact O-N 2.87Å; I737-Y739 PolarHBondContact O-N 3.47Å; I737-N741 WeakPolarHBondContact O-CB 3.39Å; I737-N741 PolarHBondContact O-N 3.38Å; I737-N741 VanDerWaalsContact O-N 3.12Å; I737-V752 HydrophobicContact CG1-CG1 4.26Å; I737-K754 HydrophobicContact CD1-CB 4.37Å
738H86.9Confident86.2Confident141 Ų14172.8 Ų72.865%0.65336%0.363SS*.Hα-helixtrans-65.7-39.7-173.9-172.767.1000113.7K734 L735 A736K734-H738 WeakPolarHBondContact O-CB 3.33Å; K734-H738 PolarHBondContact O-N 2.81Å; L735-H738 PolarHBondContact O-N 3.17Å; A736-H738 VanDerWaalsContact C-N 3.35Å; A736-H738 PolarHBondContact O-N 2.86Å
739Y86.8Confident86.1Confident154 Ų15474.3 Ų74.360%0.60437%0.37SS*.Hα-helixtrans-92-25.4-176.8-70.6-61.6000114.8L735 I737L735-Y739 HydrophobicContact CB-CD2 4.38Å; L735-Y739 HydrophobicContact CB-CE2 4.5Å; L735-Y739 HydrophobicContact CD2-CE2 4.02Å; L735-Y739 VanDerWaalsContact O-CD2 3.24Å; L735-Y739 WeakPolarHBondContact O-CD2 3.35Å; L735-Y739 PolarHBondContact O-N 2.77Å; I737-Y739 PolarHBondContact O-N 3.47Å
740L89.2Confident86.3Confident12 Ų1271.6 Ų71.66%0.06336%0.356CS..Hα-helixtrans-100.6-20.2-176.8-55.9179.8000113.6L691 F692 F695 A736 G742 Y743 V752L691-L740 HydrophobicContact CD1-CD2 3.87Å; L691-L740 HydrophobicContact CD2-CD1 4.41Å; L691-L740 HydrophobicContact CD2-CD2 4.46Å; L691-L740 HydrophobicContact CG-CD1 4.23Å; L691-L740 HydrophobicContact CG-CD2 3.95Å; F692-L740 HydrophobicContact CD1-CD1 4.21Å; F692-L740 HydrophobicContact CD2-CD1 3.88Å; F692-L740 HydrophobicContact CE1-CD1 3.81Å; F692-L740 HydrophobicContact CE2-CD1 3.42Å; F692-L740 VanDerWaalsContact CE2-CD1 3.42Å; F692-L740 HydrophobicContact CG-CD1 4.25Å; F692-L740 HydrophobicContact CZ-CD1 3.4Å; F695-L740 HydrophobicContact CE2-CD1 3.99Å; F695-L740 HydrophobicContact CE2-CG 4.31Å; A736-L740 HydrophobicContact CB-CD1 4.44Å; A736-L740 WeakPolarHBondContact O-CB 3.23Å; A736-L740 WeakPolarHBondContact O-CG 3.46Å; A736-L740 PolarHBondContact O-N 2.98Å; L740-G742 PolarHBondContact O-N 3.3Å; L740-Y743 VanDerWaalsContact O-CB 3.22Å; L740-Y743 WeakPolarHBondContact O-CB 3.06Å; L740-Y743 PolarHBondContact O-N 2.94Å; L740-Y743 VanDerWaalsContact O-N 3.1Å; L740-V752 HydrophobicContact CB-CG2 3.89Å
741N87.3Confident86.3Confident84 Ų8471.5 Ų71.545%0.44936%0.357SS..THydrogen-bonded Turntrans-71.4117.3172.8-173.859.1000110.3I737 K751 V752I737-N741 WeakPolarHBondContact O-CB 3.39Å; I737-N741 PolarHBondContact O-N 3.38Å; I737-N741 VanDerWaalsContact O-N 3.12Å; N741-K751 WeakPolarHBondContact OD1-CA 3.38Å; N741-V752 HydrophobicContact CB-CB 4.12Å; N741-V752 PolarHBondContact OD1-N 2.98Å; N741-V752 PolarHBondContact OD1-O 2.81Å
742G83.9Confident86.6Confident45 Ų4566.9 Ų66.946%0.46434%0.336SS..THydrogen-bonded Turntrans95-4.2-170.700000114.4L740 L750L740-G742 PolarHBondContact O-N 3.3Å; G742-L750 PolarHBondContact N-O 2.89Å
743Y87.4Confident86.6Confident98 Ų9866.9 Ų66.938%0.38434%0.341SS..  trans-67.8139.3178-173.7-89.7000111.6L691 L740 L745 L750L691-Y743 HydrophobicContact CD1-CD1 3.83Å; L691-Y743 HydrophobicContact CD1-CE1 3.65Å; L691-Y743 HydrophobicContact CD1-CG 4.4Å; L740-Y743 VanDerWaalsContact O-CB 3.22Å; L740-Y743 WeakPolarHBondContact O-CB 3.06Å; L740-Y743 PolarHBondContact O-N 2.94Å; L740-Y743 VanDerWaalsContact O-N 3.1Å; Y743-L745 HydrophobicContact CD1-CB 4.42Å; Y743-L745 HydrophobicContact CE1-CB 4.49Å; Y743-L750 HydrophobicContact CD1-CD1 4.18Å; Y743-L750 WeakPolarHBondContact O-CB 3.1Å; Y743-L750 WeakPolarHBondContact O-CG 3.32Å; Y743-L750 PolarHBondContact O-N 2.7Å
744T85.3Confident86.6Confident97 Ų9771.8 Ų71.860%0.59536%0.362SS*.EExtended strand (participates in β ladder)trans-94.8112.6-179.939.90000112.6R748 V749T744-R748 CarbonylContact C-O 3.54Å; T744-R748 VanDerWaalsContact CA-O 3.31Å; T744-R748 WeakPolarHBondContact CA-O 3.48Å; T744-V749 HydrophobicContact CG2-CG2 3.98Å
745L82.9Confident86.3Confident25 Ų2569 Ų6913%0.13135%0.353CS..EExtended strand (participates in β ladder)trans-119.3128.5176.7-172.972.6000109.7L679 T683 I687 Y743 N747 R748 L750L679-L745 HydrophobicContact CD2-CD2 4.04Å; T683-L745 HydrophobicContact CG2-CD2 4.04Å; I687-L745 HydrophobicContact CG2-CD1 3.96Å; I687-L745 HydrophobicContact CG2-CD2 4.01Å; I687-L745 HydrophobicContact CG2-CG 4.49Å; Y743-L745 HydrophobicContact CD1-CB 4.42Å; Y743-L745 HydrophobicContact CE1-CB 4.49Å; L745-N747 VanDerWaalsContact C-N 3.25Å; L745-N747 PolarHBondContact O-N 3.49Å; L745-N747 VanDerWaalsContact O-N 3.16Å; L745-R748 PolarHBondContact N-O 3.46Å; L745-R748 PolarHBondContact O-N 2.91Å; L745-L750 HydrophobicContact CB-CD1 3.88Å; L745-L750 HydrophobicContact CB-CD2 4.07Å; L745-L750 HydrophobicContact CB-CG 3.95Å; L745-L750 HydrophobicContact CD2-CD1 4.17Å; L745-L750 HydrophobicContact CD2-CD2 4.34Å
746Q80.4Confident85.2Confident75 Ų7573.2 Ų73.235%0.3537%0.371SS..THydrogen-bonded Turntrans47.645.1178.4-66.9171.6-63.700113.3T683 R748T683-Q746 PolarHBondContact OG1-OE1 3.12Å; Q746-R748 PolarHBondContact O-N 2.88Å
747N79.1Confident83.1Confident172 Ų17280.1 Ų80.192%0.9241%0.408SS*.THydrogen-bonded Turntrans61.316.3-177.1-105.652.6000116.4L745L745-N747 VanDerWaalsContact C-N 3.25Å; L745-N747 PolarHBondContact O-N 3.49Å; L745-N747 VanDerWaalsContact O-N 3.16Å
748R80.3Confident80.8Confident41 Ų4184.3 Ų84.316%0.15543%0.429CS..EExtended strand (participates in β ladder)trans-114.1151.9169.4-58.1-174-174.7-158.72.2110.5G678 L679 Q719 E720 T744 L745 Q746G678-R748 WeakPolarHBondContact O-CB 3.39Å; G678-R748 VanDerWaalsContact O-CD 3.25Å; G678-R748 WeakPolarHBondContact O-CD 3.39Å; L679-R748 PolarHBondContact O-NH1 3.22Å; L679-R748 VanDerWaalsContact O-NH1 3.11Å; Q719-R748 PolarHBondContact O-NH1 3.39Å; Q719-R748 PolarHBondContact O-NH2 2.66Å; Q719-R748 VanDerWaalsContact O-NH2 3.1Å; E720-R748 IonicContact OE1-NH1 3.78Å; T744-R748 CarbonylContact C-O 3.54Å; T744-R748 VanDerWaalsContact CA-O 3.31Å; T744-R748 WeakPolarHBondContact CA-O 3.48Å; L745-R748 PolarHBondContact N-O 3.46Å; L745-R748 PolarHBondContact O-N 2.91Å; Q746-R748 PolarHBondContact O-N 2.88Å
749V86Confident78.1Confident92 Ų9285.2 Ų85.256%0.55844%0.439SS*.EExtended strand (participates in β ladder)trans-91.8119.7175.7-179.90000108.1T744T744-V749 HydrophobicContact CG2-CG2 3.98Å
750L90Very high75.5Confident0 Ų086.2 Ų86.20%045%0.449CS..  trans-73.9133.4176.5-60.4-175.7000110.4I676 L679 L691 G742 Y743 L745I676-L750 HydrophobicContact CG2-CD2 4.29Å; L679-L750 HydrophobicContact CD2-CD2 3.59Å; L679-L750 HydrophobicContact CG-CD2 4.1Å; L691-L750 HydrophobicContact CD2-CD1 3.41Å; L691-L750 VanDerWaalsContact CD2-CD1 3.41Å; G742-L750 PolarHBondContact N-O 2.89Å; Y743-L750 HydrophobicContact CD1-CD1 4.18Å; Y743-L750 WeakPolarHBondContact O-CB 3.1Å; Y743-L750 WeakPolarHBondContact O-CG 3.32Å; Y743-L750 PolarHBondContact O-N 2.7Å; L745-L750 HydrophobicContact CB-CD1 3.88Å; L745-L750 HydrophobicContact CB-CD2 4.07Å; L745-L750 HydrophobicContact CB-CG 3.95Å; L745-L750 HydrophobicContact CD2-CD1 4.17Å; L745-L750 HydrophobicContact CD2-CD2 4.34Å
751K89.4Confident72.5Confident111 Ų11191.9 Ų91.948%0.48349%0.489SS..EExtended strand (participates in β ladder)trans-108.7117.3170.5176.3-174.6166.8-153.50108I676 E677 N741I676-K751 WeakPolarHBondContact CA-O 3.02Å; E677-K751 HydrophobicContact CB-CB 4.32Å; E677-K751 PolarHBondContact N-O 2.99Å; E677-K751 PolarHBondContact O-N 3.23Å; E677-K751 WeakPolarHBondContact OE2-CD 3.43Å; E677-K751 WeakPolarHBondContact OE2-CE 3.17Å; E677-K751 IonicContact OE2-NZ 2.64Å; E677-K751 PolarHBondContact OE2-NZ 2.67Å; N741-K751 WeakPolarHBondContact OD1-CA 3.38Å
752V90.7Very high69.7Low3 Ų391.5 Ų91.52%0.01849%0.49CS..EExtended strand (participates in β ladder)trans-117.6120-176.9-174.70000108.9L674 K675 I676 I737 L740 N741L674-V752 HydrophobicContact CD1-CG1 4.2Å; K675-V752 WeakPolarHBondContact O-CA 3.41Å; I676-V752 HydrophobicContact CG1-CG2 4.34Å; I676-V752 HydrophobicContact CG2-CG2 4.31Å; I737-V752 HydrophobicContact CG1-CG1 4.26Å; L740-V752 HydrophobicContact CB-CG2 3.89Å; N741-V752 HydrophobicContact CB-CB 4.12Å; N741-V752 PolarHBondContact OD1-N 2.98Å; N741-V752 PolarHBondContact OD1-O 2.81Å
753S88.8Confident67.1Low42 Ų4297.2 Ų97.229%0.29451%0.505SS..EExtended strand (participates in β ladder)trans-133.2163.3178.576.20000111.3L674 K675L674-S753 CarbonylContact C-O 3.56Å; L674-S753 WeakPolarHBondContact CA-O 3.18Å; K675-S753 PolarHBondContact N-O 2.94Å; K675-S753 PolarHBondContact O-N 3.33Å
754K88.5Confident64.3Low103 Ų10396.7 Ų96.745%0.44850%0.502SS..EExtended strand (participates in β ladder)trans-62.3145.7160.5-167.5175.9-179.4-178.40108.9T672 I737T672-K754 HydrophobicContact CG2-CG 4.45Å; I737-K754 HydrophobicContact CD1-CB 4.37Å
755S81.6Confident61.7Low25 Ų2595.4 Ų95.418%0.17549%0.492CS..  trans-90123.6169.3-167.70000109.8I673I673-S755 PolarHBondContact O-N 3.29Å
756E64.9Low59.3Low170 Ų17099.4 Ų99.479%0.79451%0.509SS*.  trans-102.3-7-175.8-62.3-178.2153.600113.1I758E756-I758 PolarHBondContact O-N 2.95Å
757N45.9Very low57Low145 Ų14599.4 Ų99.478%0.77551%0.514SS*.  trans-9591.3178.4-87.4-93.5000111.3
758I41.2Very low54.9Low135 Ų13596.4 Ų96.469%0.69249%0.494SS*.  trans-108.775.9170-52.7176.4000108E756E756-I758 PolarHBondContact O-N 2.95Å
759N30.4Very low52.5Low161 Ų16199.3 Ų99.386%0.86151%0.508SS*.  trans-151.724.1177.4-101.7-34.5000113.8
760Q33.2Very low49.8Very low174 Ų174102 Ų10281%0.81352%0.519SS*.SBendtrans-128113.7163.1-74.3-172.20.400109T762Q760-T762 PolarHBondContact O-N 3.44Å; Q760-T762 PolarHBondContact O-OG1 2.8Å
761S25.6Very low47Very low131 Ų131107.6 Ų107.692%0.91655%0.545SS*.  trans-72.365.9-178.940.10000112.2H763S761-H763 PolarHBondContact O-N 2.87Å
762T29.5Very low44.2Very low77 Ų77108.3 Ų108.347%0.47256%0.561SS.*  trans-75.7119.5161.426.90000108.1Q760 Y764Q760-T762 PolarHBondContact O-N 3.44Å; Q760-T762 PolarHBondContact O-OG1 2.8Å; T762-Y764 VanDerWaalsContact C-N 3.31Å; T762-Y764 WeakPolarHBondContact O-CD2 3.34Å; T762-Y764 PolarHBondContact O-N 2.86Å; T762-Y764 WeakPolarHBondContact OG1-CE2 3.46Å; T762-Y764 PolarHBondContact OG1-OH 3.19Å
763H28.3Very low41.3Very low165 Ų165113.6 Ų113.676%0.76459%0.593SS**  trans-79.972.5-163.4-156.2-54.7000111.6S761S761-H763 PolarHBondContact O-N 2.87Å
764Y29.6Very low38.6Very low86 Ų86117.6 Ų117.634%0.33761%0.611SS.*  trans-66149.8-171.2-71.4-67.9000114.6T762T762-Y764 VanDerWaalsContact C-N 3.31Å; T762-Y764 WeakPolarHBondContact O-CD2 3.34Å; T762-Y764 PolarHBondContact O-N 2.86Å; T762-Y764 WeakPolarHBondContact OG1-CE2 3.46Å; T762-Y764 PolarHBondContact OG1-OH 3.19Å
765N30.7Very low35.9Very low71 Ų71118.9 Ų118.938%0.3863%0.628SS.*  trans-117.276.9-156.6-156.114.3000111.2S165 C166 T767S165-N765 PolarHBondContact O-ND2 3.43Å; C166-N765 WeakPolarHBondContact CA-OD1 3.5Å; C166-N765 VanDerWaalsContact CB-OD1 3.29Å; C166-N765 WeakPolarHBondContact CB-OD1 3.27Å; N765-T767 PolarHBondContact O-N 3.33Å
766F31.3Very low33.6Very low108 Ų108124.4 Ų124.447%0.47465%0.654SS.*THydrogen-bonded Turntrans-73.844.1-165-69.6-82.2000115.6N671 L699 V726N671-F766 HydrophobicContact CB-CE1 4.27Å; N671-F766 WeakPolarHBondContact ND2-CD1 3.09Å; N671-F766 WeakPolarHBondContact ND2-CE1 3.38Å; L699-F766 HydrophobicContact CD1-CD1 4.28Å; V726-F766 HydrophobicContact CG1-CE1 3.96Å
767T33.2Very low31.8Very low75 Ų75124 Ų12446%0.4666%0.656SS.*THydrogen-bonded Turntrans-148.823.7-172.5-21.10000115.5N765N765-T767 PolarHBondContact O-N 3.33Å
768E33.9Very low31.1Very low109 Ų109127.7 Ų127.751%0.50968%0.675SS.*SBendtrans-107.9-21.9-177.5-171.5149.9-162.100114.8E167E167-E768 HydrophobicContact CB-CB 3.73Å; E167-E768 HydrophobicContact CB-CG 3.69Å; E167-E768 VanDerWaalsContact CD-OE1 3.28Å; E167-E768 HydrophobicContact CG-CB 4.35Å; E167-E768 VanDerWaalsContact CG-CD 3.46Å; E167-E768 HydrophobicContact CG-CG 3.74Å; E167-E768 VanDerWaalsContact CG-OE1 3.29Å; E167-E768 WeakPolarHBondContact CG-OE1 3.42Å
769F30.4Very low30.6Very low103 Ų103127.4 Ų127.445%0.45267%0.674SS.*  trans-124.212.9-165.7-93.1-86.3000117.2L699 Q771L699-F769 VanDerWaalsContact O-CB 3.23Å; L699-F769 WeakPolarHBondContact O-CB 3.19Å; F769-Q771 PolarHBondContact O-N 2.54Å
770L30Very low30.6Very low148 Ų148125.6 Ų125.678%0.77567%0.665SS**  trans-8366.8168.8-70.7179.1000111.9L699L699-L770 HydrophobicContact CD2-CD2 3.76Å; L699-L770 HydrophobicContact CD2-CG 4.28Å
771Q29.8Very low30.5Very low117 Ų117122.9 Ų122.955%0.54766%0.656SS.*SBendtrans-125.5129.4156.7-74.4-160.4-31.200109.5F769 T773F769-Q771 PolarHBondContact O-N 2.54Å; Q771-T773 PolarHBondContact O-N 2.73Å; Q771-T773 PolarHBondContact O-OG1 2.64Å
772P30.6Very low30.7Very low127 Ų127122.4 Ų122.483%0.82564%0.641SS**  trans-74.573.3176.231.9-35.1000110.5N774P772-N774 PolarHBondContact O-N 3.43Å
773T29.5Very low30.8Very low114 Ų114125.3 Ų125.370%0.69965%0.652SS**  trans-76.768.8-178.9-51.50000110.6Q771Q771-T773 PolarHBondContact O-N 2.73Å; Q771-T773 PolarHBondContact O-OG1 2.64Å
774N33.4Very low31Very low125 Ų125122.6 Ų122.667%0.66864%0.644SS**  trans-162.146.5166-100.1-27.9000113.9P772P772-N774 PolarHBondContact O-N 3.43Å
775T30.8Very low31.1Very low130 Ų130125.2 Ų125.280%0.79867%0.666SS**  trans-10663.8156.8-49.50000109.4
776I33.9Very low31.1Very low141 Ų141129.4 Ų129.472%0.72369%0.688SS**  trans-84111.5161.9-65-178.9000106.3L778I776-L778 PolarHBondContact O-N 3.22Å
777L27Very low31.1Very low161 Ų161131.2 Ų131.284%0.84371%0.706SS**  trans-90.4103.9-177.1-164.1158.9000108.6
778L30.8Very low30.9Very low224 Ų224136.3 Ų136.3100%1.17373%0.728SS**  trans-148.80177.7-109.6169.7000110I776I776-L778 PolarHBondContact O-N 3.22Å

Retrieved 778 of 778 residues in 862 ms (Link to these results)