A0A087X733_POEFO Loading...

Sp4 transcription factor

AlphaFold DB , UniProt , Accession A0A087X733, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 765 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
1M33.3Very low30.1Very low232 Ų232134.7 Ų134.7100%1.14377%0.77SS**  0114.60-64.1168.8-17600105.6
2S31.1Very low30Very low102 Ų102139.4 Ų139.471%0.71378%0.78SS**  80.3131.952.1-62.30000111.5
3D29.9Very low30Very low131 Ų131135.1 Ų135.170%0.70179%0.786SS**  cis-155.8176.3-5.5-130.5-77.1000114.6
4S32.4Very low29.9Very low85 Ų85130.4 Ų130.459%0.59478%0.781SS**  trans-35.9154.1160.8-43.70000116
5K32.1Very low30.4Very low198 Ų198135.5 Ų135.586%0.86179%0.789SS**  trans71.4161.4152.9-70.5171.4178.8171.70117.3
6K30Very low31.3Very low149 Ų149133.6 Ų133.665%0.64878%0.782SS**  cis179.2153.3-26.2-171.6-155.2159.4-148.30105.8
7E24.7Very low31.3Very low150 Ų150131.9 Ų131.970%0.70178%0.779SS**  trans73.2153.5166-45.5-164.4105.300116.2
8S29.3Very low31.3Very low104 Ų104134.3 Ų134.373%0.72778%0.779SS**  cis-166.1159.9-27.454.30000110.5
9S30.8Very low31.1Very low125 Ų125139.5 Ų139.587%0.87478%0.784SS**  trans139.4150.916356.30000110.6
10G27.6Very low30.9Very low58 Ų58136.3 Ų136.360%0.59878%0.783SS**  cis160.4118.6-15.200000113.7
11T29.5Very low30.6Very low148 Ų148139.2 Ų139.291%0.90879%0.787SS**  trans61.5155.7167490000117.1
12E29.4Very low30.2Very low191 Ų191133.1 Ų133.189%0.89377%0.767SS**  cis-115.9161.2-5-62.1-176.191.500109.1
13G29.6Very low30Very low83 Ų83134 Ų13486%0.85677%0.773SS**  103.412564.700000110.9
14G28.9Very low29.7Very low70 Ų70131.6 Ų131.672%0.72278%0.779SS**  cis172.3159.9-14.200000114.6
15K36.9Very low29.3Very low206 Ų206133 Ų13390%0.89679%0.789SS**  trans71.5157.9160.3-75.2179.2-177.7170.30119.2
16P44.7Very low29Very low105 Ų105131.8 Ų131.868%0.68279%0.786SS**  cis-143.1155.9-24.935-16.2000117.8
17S31.9Very low28.5Very low105 Ų105131.4 Ų131.473%0.73479%0.791SS**  trans74.4155141.6-750000120
18K31.8Very low28.4Very low176 Ų176128.6 Ų128.677%0.76579%0.788SS**  cis-147.2150.36.3-131.9157.9-170.5176.90113.6
19R28Very low28.3Very low233 Ų233129 Ų12988%0.87979%0.791SS**  trans-7.5147.9158.6-52.4171-178.6-175.4-2.8118.8
20G25.3Very low28.2Very low74 Ų74132.3 Ų132.376%0.76379%0.793SS**  cis129.3151.5-13.200000117.3
21K26Very low28.2Very low199 Ų199135.2 Ų135.287%0.86580%0.801SS**  trans77.3125.7151.8-125.7-172.9-172.8-171.90121.5
22S24.8Very low28Very low103 Ų103133.1 Ų133.172%0.7279%0.792SS**  trans64.5151145.137.90000119.5
23S26.1Very low27.9Very low122 Ų122130.2 Ų130.285%0.85379%0.79SS**  cis-171.5156.6-5.2420000110.2
24G23.3Very low27.9Very low80 Ų80134.3 Ų134.383%0.82579%0.792SS**  trans162121.516400000114.6
25S24.3Very low27.9Very low113 Ų113135.5 Ų135.579%0.7979%0.794SS**  trans-79.9142.1176.3-173.90000111.8
26Q25.1Very low27.5Very low173 Ų173133.7 Ų133.781%0.80879%0.794SS**  172.7138107.2-91.2-170.4-91.500114.3
27D20.9Very low26.8Very low141 Ų141136.3 Ų136.375%0.75480%0.801SS**  trans56.1141.6143.5-133.8-14.7000125
28S23Very low26.6Very low91 Ų91136 Ų13664%0.63681%0.805SS**  trans70.1133150.475.40000122.9
29S26.4Very low26.5Very low112 Ų112132 Ų13278%0.78380%0.804SS**  trans53.297.5136.4-55.60000120.9
30Q29.5Very low26.5Very low196 Ų196127 Ų12792%0.91680%0.8SS**PPolyproline II helixtrans-72.4129.3156.6-71.2-111.3-74.200111.3
31P26.7Very low26.6Very low118 Ų118129.6 Ų129.677%0.76681%0.805SS**PPolyproline II helixtrans-87.1149.5168.333.6-32.8000112.8
32S24.8Very low26.7Very low105 Ų105126.1 Ų126.173%0.73481%0.806SS**PPolyproline II helixtrans-65.3160.4-175.9-60.60000114.8L34S32-L34 VanDerWaalsContact C-N 3.29Å; S32-L34 PolarHBondContact O-N 3.47Å
33P28.6Very low26.9Very low130 Ų130131 Ų13184%0.84481%0.814SS**SBendtrans-77.564.3-169.833.1-38.7000114.6
34L28.3Very low26.9Very low169 Ų169133.8 Ų133.889%0.88582%0.817SS**  trans-1000.8172.6-133.476.4000113.8S32S32-L34 VanDerWaalsContact C-N 3.29Å; S32-L34 PolarHBondContact O-N 3.47Å
35A30.1Very low26.9Very low94 Ų94134 Ų13478%0.77782%0.819SS**SBendtrans-94.3-2.4-172.600000115.3
36L28.8Very low26.9Very low169 Ų169131.8 Ų131.889%0.88582%0.815SS**SBendtrans-103.919.8-171.6-15172.4000114.5
37L28.5Very low27Very low160 Ų160133.5 Ų133.584%0.83882%0.823SS**SBendtrans-113.610.4179.8-156.864.4000113.6
38A28.2Very low27.2Very low99 Ų99130.9 Ų130.982%0.81883%0.829SS**SBendtrans-10513.1-172.500000115
39A29Very low27.2Very low91 Ų91130.6 Ų130.675%0.75284%0.84SS**SBendtrans-120.42.1-164.500000116.3
40T28.5Very low27.1Very low128 Ų128130.3 Ų130.379%0.78585%0.845SS**SBendtrans-133.851-171.554.30000113.9
41C27.4Very low26.8Very low129 Ų129129.8 Ų129.887%0.87284%0.842SS**  trans-154.957.8171.2-125.10000114.4
42S28.5Very low26.8Very low125 Ų125130.1 Ų130.187%0.87484%0.842SS**  trans-153.670.5175.5-73.50000113.6
43K28.4Very low26.7Very low206 Ų206130 Ų13090%0.89685%0.847SS**  trans-158.240168.9-140.8-174.1179.4-178.80119.5
44I26.8Very low26.5Very low181 Ų181133.1 Ų133.193%0.92885%0.85SS**  trans-135.7110.4157-54.3-179.5000108.6
45G23.1Very low26.2Very low83 Ų83129.9 Ų129.986%0.85685%0.848SS**  trans160.3114.8-179.400000112.5
46G24.7Very low26Very low68 Ų68135.1 Ų135.170%0.70186%0.857SS**  trans15089.5-17500000109.4
47Q26.4Very low25.7Very low209 Ų209132.1 Ų132.198%0.97786%0.856SS**  81.4117.389.3-82.4-169.3-5.900113.6
48G24.9Very low25.5Very low86 Ų86128.5 Ų128.589%0.88786%0.858SS**  trans171.3108.3174.700000108.4
49G23.2Very low25.4Very low84 Ų84128.5 Ų128.587%0.86686%0.858SS**  trans-123.5144.4-174.800000112.2
50A25.6Very low25.2Very low107 Ų107133.8 Ų133.888%0.88487%0.867SS**  trans-152.8168.3169.600000108.9
51E23.4Very low25Very low185 Ų185136.3 Ų136.386%0.86487%0.87SS**  trans-89.6143.9-155.6-73.4169.978.300117.3
52V24.6Very low24.9Very low124 Ų124137 Ų13775%0.75286%0.863SS**  trans39.1112.8139.4-1720000119.6
53A23.6Very low24.7Very low103 Ų103138.9 Ų138.985%0.85186%0.858SS**  trans-140.7136.8134.900000109.2
54Q24.7Very low24.7Very low195 Ų195134.5 Ų134.591%0.91185%0.849SS**  trans-92.6132.3-178-66.8176.1-71.700112
55A22.5Very low24.7Very low102 Ų102134 Ų13484%0.84384%0.843SS**  trans-149.7140.4157.900000109.4
56Q24.5Very low24.8Very low204 Ų204135.2 Ų135.295%0.95384%0.844SS**  trans-99121.9-172.9-69159.3-105.700112.6
57A23.3Very low25.1Very low105 Ų105134.7 Ų134.787%0.86884%0.838SS**  trans-164.6141.1144.700000108.8
58G25.1Very low25.2Very low85 Ų85132.5 Ų132.588%0.87683%0.828SS**  trans-94.3137.9-173.400000114.1
59A24.4Very low25.4Very low99 Ų99134.1 Ų134.182%0.81882%0.815SS**  trans-142.1123.1160.100000108.8
60Q26.5Very low25.7Very low201 Ų201135.9 Ų135.994%0.93980%0.801SS**PPolyproline II helixtrans-86.1128.5177.6-72.1169.9-54.300109.8
61Q23.4Very low25.8Very low181 Ų181136.6 Ų136.685%0.84679%0.79SS**PPolyproline II helixtrans-87.4123.4176.3-70.5-176.7-18.300110.6
62I25.1Very low25.9Very low144 Ų144135.1 Ų135.174%0.73878%0.782SS**PPolyproline II helixtrans-82.4122.6167.1-61.3168.6000107.6V64I62-V64 HydrophobicContact CG2-CG2 4.49Å
63Q25.1Very low26Very low164 Ų164134.6 Ų134.677%0.76679%0.792SS**PPolyproline II helixtrans-88.2129.1170.8-69.3-171.1-2.600109.9
64V27.2Very low26.4Very low115 Ų115133 Ų13370%0.69779%0.785SS**  trans-107.5118.4174.6-178.20000108.4I62I62-V64 HydrophobicContact CG2-CG2 4.49Å
65Q27.2Very low26.4Very low171 Ų171128 Ų12880%0.79976%0.762SS**  trans-88.7143.6171.8-70.4-173.1-6.900110.7G67Q65-G67 PolarHBondContact O-N 2.87Å
66A26.4Very low26.7Very low107 Ų107127.7 Ų127.788%0.88475%0.746SS**  trans-78.5102.4-176.200000111.7
67G30.1Very low26.9Very low57 Ų57124.4 Ų124.459%0.58873%0.73SS**PPolyproline II helixtrans-67.9147.916900000112.3Q65Q65-G67 PolarHBondContact O-N 2.87Å
68Q28.9Very low27.2Very low163 Ų163121.5 Ų121.576%0.76271%0.71SS**PPolyproline II helixtrans-75.1133.9176.3-68.9-169.8-6.100111.5
69I29.6Very low27.3Very low120 Ų120123.7 Ų123.762%0.61570%0.698SS**PPolyproline II helixtrans-102.2128167.7-54.9173.4000107.3L76I69-L76 HydrophobicContact CG2-CD2 3.72Å
70Q29.7Very low27.6Very low121 Ų121125.5 Ų125.557%0.56569%0.692SS**EExtended strand (participates in β ladder)trans-125.8137.2172.8-66.4-172.21200109.9
71L26.1Very low27.7Very low123 Ų123121.7 Ų121.764%0.64468%0.682SS**EExtended strand (participates in β ladder)trans-91.2128.2169.9-74.596.8000109.9L76L71-L76 HydrophobicContact CD1-CD2 3.91Å; L71-L76 HydrophobicContact CD2-CD2 4.3Å; L71-L76 HydrophobicContact CD2-CG 4.32Å; L71-L76 HydrophobicContact CG-CD2 3.81Å; L71-L76 HydrophobicContact CG-CG 4.29Å
72Q25.4Very low28Very low153 Ų153119.2 Ų119.272%0.71567%0.674SS**EExtended strand (participates in β ladder)trans-129.2143.7158.6-70.2-168.4-3.800109.4G74 Q75Q72-G74 PolarHBondContact O-N 3.49Å; Q72-Q75 PolarHBondContact O-N 3.21Å; Q72-Q75 VanDerWaalsContact O-N 3.12Å
73A27.3Very low28.2Very low114 Ų114119.4 Ų119.494%0.94268%0.676SS**THydrogen-bonded Turntrans49.127.4172.200000117.3
74G32Very low28.5Very low70 Ų70114.6 Ų114.672%0.72267%0.665SS**THydrogen-bonded Turntrans79.81417700000115.4Q72Q72-G74 PolarHBondContact O-N 3.49Å
75Q25.9Very low28.6Very low90 Ų90114.8 Ų114.842%0.42168%0.678SS.*EExtended strand (participates in β ladder)trans-109.4138.1170.2-71.8-78.4-79.700110.1Q72Q72-Q75 PolarHBondContact O-N 3.21Å; Q72-Q75 VanDerWaalsContact O-N 3.12Å
76L28.1Very low28.8Very low95 Ų95109.5 Ų109.550%0.49767%0.67SS.*EExtended strand (participates in β ladder)trans-95.9101.8168.1-89166.4000108.3I69 L71I69-L76 HydrophobicContact CG2-CD2 3.72Å; L71-L76 HydrophobicContact CD1-CD2 3.91Å; L71-L76 HydrophobicContact CD2-CD2 4.3Å; L71-L76 HydrophobicContact CD2-CG 4.32Å; L71-L76 HydrophobicContact CG-CD2 3.81Å; L71-L76 HydrophobicContact CG-CG 4.29Å
77Q27.9Very low29.1Very low135 Ų135108.5 Ų108.563%0.63167%0.67SS**EExtended strand (participates in β ladder)trans-108.4124.7169.1-70-177.9-9.400108.6
78G29.2Very low29.1Very low43 Ų43113.7 Ų113.744%0.44368%0.679SS.*  trans-139.2128.9179.600000109.6
79Q28.6Very low29Very low132 Ų132111 Ų11162%0.61768%0.684SS**  trans-106.4112.1-177.7-151.3172.627.100108.9
80I30Very low29Very low137 Ų137112.2 Ų112.270%0.70369%0.691SS**  trans-90.9108176.5-59.4174.3000107.6L82I80-L82 HydrophobicContact CG2-CG 4.37Å
81V29Very low28.9Very low120 Ų120112.7 Ų112.773%0.72770%0.702SS**  trans-90.2114.2173.1-177.70000108.5
82L29.3Very low29Very low130 Ų130111.9 Ų111.968%0.68170%0.704SS**  trans-94.4100.9171.4-73.4159.7000108.2I80I80-L82 HydrophobicContact CG2-CG 4.37Å
83D30.3Very low29.1Very low147 Ų147112.3 Ų112.379%0.78671%0.706SS**  trans-84.2115.9170.8-165.6-4.4000109.6
84A29.9Very low29.1Very low63 Ų63114.5 Ų114.552%0.52170%0.697SS.*  trans-104.111317900000108.9G86A84-G86 PolarHBondContact O-N 3.07Å
85A30.7Very low28.9Very low119 Ų119117.2 Ų117.298%0.98370%0.695SS**SBendtrans-67.472.4178.400000112
86G31.1Very low28.8Very low60 Ų60120.9 Ų120.962%0.61971%0.711SS**SBendtrans-166.114.1-164.600000116.8A84 Q88A84-G86 PolarHBondContact O-N 3.07Å; G86-Q88 VanDerWaalsContact C-N 3.27Å; G86-Q88 PolarHBondContact O-N 3.33Å
87G33.1Very low28.7Very low86 Ų86122 Ų12289%0.88772%0.718SS**SBendtrans63.916.9160.900000117.9
88Q28.2Very low28.5Very low167 Ų167121.4 Ų121.478%0.7872%0.723SS**  trans-117.2124.8178.1-72.9-75.9-1000109.4G86 L90G86-Q88 VanDerWaalsContact C-N 3.27Å; G86-Q88 PolarHBondContact O-N 3.33Å; Q88-L90 PolarHBondContact O-N 3.35Å; Q88-L90 VanDerWaalsContact O-N 3.15Å
89A28.5Very low28.3Very low105 Ų105124.4 Ų124.487%0.86874%0.735SS**  trans-8097.4-174.300000111.7
90L28.3Very low28.1Very low147 Ų147122.4 Ų122.477%0.7774%0.74SS**  trans-81.1133.7171.9-71.2168.8000110.9Q88Q88-L90 PolarHBondContact O-N 3.35Å; Q88-L90 VanDerWaalsContact O-N 3.15Å
91V27.3Very low27.8Very low130 Ų130124.8 Ų124.879%0.78875%0.749SS**  trans-69.7131.9179.6178.50000109.7Q93V91-Q93 PolarHBondContact O-N 3.2Å; V91-Q93 VanDerWaalsContact O-N 3.08Å
92P28.3Very low27.6Very low107 Ų107129 Ų12970%0.69576%0.757SS**  trans-65.3111.6178.626.4-34.4000110.7
93Q28.2Very low27.4Very low162 Ų162128.9 Ų128.976%0.75776%0.762SS**  trans-88.5117.3-179-168167.393.100110.3V91V91-Q93 PolarHBondContact O-N 3.2Å; V91-Q93 VanDerWaalsContact O-N 3.08Å
94Q27.2Very low27.2Very low159 Ų159125 Ų12574%0.74376%0.756SS**  trans-89.7112.5-174.7-167.9168.6100110
95L27.7Very low27.1Very low128 Ų128130.4 Ų130.467%0.6778%0.777SS**  trans-80.2118.4175-86.871.8000109.9
96E23.7Very low26.9Very low166 Ų166127.9 Ų127.978%0.77676%0.763SS**  trans-104.6125.5174.2-162.6176.8159.600110.3
97L27.4Very low26.7Very low120 Ų120137.4 Ų137.463%0.62878%0.78SS**  trans-100.494.7-174.1-77.2165.8000110.9
98V23.4Very low26.4Very low122 Ų122141.4 Ų141.474%0.73978%0.775SS**  trans-74.5132.7179-175.20000110.8A100V98-A100 PolarHBondContact O-N 3.27Å
99P23.9Very low26.4Very low106 Ų106140.6 Ų140.669%0.68878%0.775SS**  trans-74.5110.7-17728.5-34.8000113
100A24.2Very low26.2Very low89 Ų89142.2 Ų142.274%0.73677%0.767SS**  trans-84143.7166.400000111.3V98V98-A100 PolarHBondContact O-N 3.27Å
101Q23.8Very low26.2Very low188 Ų188140 Ų14088%0.87976%0.76SS**  trans-85.1147.1-174.5-64.2-172.93.800113.1T103Q101-T103 PolarHBondContact O-N 3.5Å
102F24.8Very low26Very low207 Ų207138.3 Ų138.391%0.90876%0.76SS**  trans-74.3112.6-171.6-135.6-97.9000112
103T25.5Very low25.7Very low129 Ų129137.8 Ų137.879%0.79177%0.765SS**  trans-121.3152.315762.10000109.1Q101Q101-T103 PolarHBondContact O-N 3.5Å
104G25.9Very low25.7Very low64 Ų64134.9 Ų134.966%0.6676%0.76SS**SBendtrans-69.2146.6-158.200000116
105N28.7Very low25.6Very low178 Ų178134.1 Ų134.195%0.95277%0.767SS**SBendtrans70.254.6160-55.4-11000117.7
106G25.8Very low25.5Very low66 Ų66135.4 Ų135.468%0.6877%0.771SS**  trans171.3139.7158.900000113.9Q108G106-Q108 PolarHBondContact O-N 3.3Å
107W27.7Very low25.5Very low259 Ų259131.8 Ų131.898%0.98177%0.769SS**  trans-81.8109167.2-7391.1000109.3
108Q25.6Very low25.7Very low170 Ų170136 Ų13679%0.79478%0.782SS**  trans-98.1115.6165.3-72.4-170.9-14.900109.7G106 I110G106-Q108 PolarHBondContact O-N 3.3Å; Q108-I110 HydrophobicContact CB-CG1 4.47Å; Q108-I110 PolarHBondContact O-N 3.42Å
109I28.5Very low25.9Very low151 Ų151138.5 Ų138.577%0.77479%0.786SS**  trans-86.4101.2170.4-57.3176.2000107.6T111I109-T111 HydrophobicContact CG2-CG2 4.17Å
110I23.9Very low26.3Very low138 Ų138140.8 Ų140.871%0.70879%0.793SS**  trans-94.294.5174-55.3177.9000108.2Q108Q108-I110 HydrophobicContact CB-CG1 4.47Å; Q108-I110 PolarHBondContact O-N 3.42Å
111T28.3Very low26.4Very low100 Ų100142.9 Ų142.961%0.61380%0.796SS**PPolyproline II helixtrans-76.9130.116852.10000110I109I109-T111 HydrophobicContact CG2-CG2 4.17Å
112A24.2Very low26.6Very low95 Ų95139.6 Ų139.679%0.78580%0.795SS**PPolyproline II helixtrans-59.7141166.400000110.4P114A112-P114 WeakPolarHBondContact O-CD 3.41Å
113A22.3Very low26.6Very low97 Ų97138.1 Ų138.180%0.80279%0.79SS**PPolyproline II helixtrans-71124.5-173.100000111.8
114P27.2Very low26.5Very low100 Ų100137.4 Ų137.465%0.64979%0.788SS**PPolyproline II helixtrans-75.4130.2176.829.7-33.6000111.2A112 M116A112-P114 WeakPolarHBondContact O-CD 3.41Å; P114-M116 PolarHBondContact O-N 3.09Å; P114-M116 VanDerWaalsContact O-N 3.1Å
115T24.2Very low26.6Very low144 Ų144140.5 Ų140.588%0.88379%0.794SS**  trans-71.8101.1167.540.70000109.8A117T115-A117 PolarHBondContact O-N 3.3Å
116M26.2Very low26.4Very low154 Ų154136.1 Ų136.176%0.75978%0.782SS**  trans-61.7123.4-177.4-79.6-170.368.500113.2P114P114-M116 PolarHBondContact O-N 3.09Å; P114-M116 VanDerWaalsContact O-N 3.1Å
117A23Very low26.5Very low90 Ų90138 Ų13874%0.74478%0.781SS**  trans-66.7144.7146.600000109.2T115 E119T115-A117 PolarHBondContact O-N 3.3Å; A117-E119 PolarHBondContact O-N 3.37Å
118K33.6Very low26.4Very low208 Ų208131.9 Ų131.990%0.90477%0.772SS**  trans-95.774.7-159.7-171.8-166.2175.7-176.40112.9
119E26.5Very low26.4Very low175 Ų175129.4 Ų129.482%0.81877%0.768SS**  trans-123.7154167.7-64.4-156.6147.400112.3A117A117-E119 PolarHBondContact O-N 3.37Å
120N32.6Very low26.1Very low154 Ų154126.6 Ų126.682%0.82477%0.767SS**  trans-134.181.5-153.5-177.249.1000112.1
121T26.3Very low26.1Very low133 Ų133125.2 Ų125.282%0.81677%0.77SS**  trans-143.1119.2177.422.20000110.9
122S27.6Very low25.9Very low120 Ų120126.9 Ų126.984%0.83978%0.78SS**  trans-90.4109.4-177.2-490000111.6
123Q24.2Very low25.9Very low176 Ų176130.2 Ų130.282%0.82278%0.784SS**  trans-137.8136.8163.9-69.1-167.83.400110.7
124P24.8Very low25.9Very low114 Ų114130.1 Ų130.174%0.7478%0.783SS**  trans-81.2125176.631.7-32.4000111.2
125V27.1Very low25.8Very low129 Ų129133.1 Ų133.178%0.78279%0.794SS**  trans-89.2113.8172.11800000109.1V127V125-V127 HydrophobicContact CG1-CG2 4.32Å
126A24.9Very low25.7Very low86 Ų86132.7 Ų132.771%0.71179%0.786SS**  trans-85.6116.717600000110.9
127V27.3Very low25.6Very low106 Ų106131 Ų13164%0.64279%0.789SS**  trans-105112.8175.6-177.70000109.3V125 V129V125-V127 HydrophobicContact CG1-CG2 4.32Å; V127-V129 HydrophobicContact CG1-CG2 4.14Å
128T25.9Very low25.7Very low129 Ų129131.7 Ų131.779%0.79179%0.788SS**  trans-89.6119.6175.8-56.30000110.1
129V25.8Very low25.6Very low118 Ų118128.5 Ų128.572%0.71579%0.789SS**  trans-115.8119.3173.3-1740000108.8V127V127-V129 HydrophobicContact CG1-CG2 4.14Å
130A23Very low25.5Very low93 Ų93123.6 Ų123.677%0.76979%0.785SS**  trans-99.9125.6174.600000110.1
131S23.6Very low25.1Very low109 Ų109120.4 Ų120.476%0.76279%0.789SS**  trans-102.8137.3172.753.20000110.7
132T23.3Very low25.1Very low135 Ų135125.5 Ų125.583%0.82879%0.793SS**  trans-110.6115.3170.744.60000109.3A134T132-A134 VanDerWaalsContact C-N 3.35Å; T132-A134 PolarHBondContact O-N 3.01Å
133L24.2Very low25Very low165 Ų165130 Ų13086%0.86480%0.798SS**  trans-7882.2179.1-79.5167.7000111N135L133-N135 VanDerWaalsContact C-N 3.32Å; L133-N135 PolarHBondContact O-N 3.36Å; L133-N135 VanDerWaalsContact O-N 3.07Å
134A23.4Very low25Very low94 Ų94129.7 Ų129.778%0.77780%0.801SS**  trans-79.975.4172.900000111.5T132 D136T132-A134 VanDerWaalsContact C-N 3.35Å; T132-A134 PolarHBondContact O-N 3.01Å; A134-D136 PolarHBondContact O-N 3.02Å
135N25Very low24.9Very low164 Ų164132.9 Ų132.988%0.87780%0.803SS**  trans-7998.5163.7-92.9-14.5000109.4L133L133-N135 VanDerWaalsContact C-N 3.32Å; L133-N135 PolarHBondContact O-N 3.36Å; L133-N135 VanDerWaalsContact O-N 3.07Å
136D22.1Very low24.8Very low135 Ų135133.4 Ų133.472%0.72281%0.807SS**  trans-143131.2167.9-156.7-22.5000112.1A134A134-D136 PolarHBondContact O-N 3.02Å
137S23.7Very low24.7Very low117 Ų117135.2 Ų135.282%0.81881%0.809SS**  trans-170.568174.4-81.30000110.5
138S24.6Very low24.5Very low105 Ų105136.4 Ų136.473%0.73482%0.822SS**  trans-147.5100.8169.9-81.10000112.4G140S138-G140 PolarHBondContact O-N 3.05Å
139P30.9Very low24.4Very low142 Ų142133.8 Ų133.892%0.92282%0.821SS**  trans-85.6104.2-177.432.3-32.6000112.2
140G25.9Very low24.6Very low71 Ų71134.3 Ų134.373%0.73283%0.825SS**  trans-143.541.2-17100000116.5S138 R142S138-G140 PolarHBondContact O-N 3.05Å; G140-R142 PolarHBondContact O-N 3.46Å
141G23.4Very low24.7Very low88 Ų88138 Ų13891%0.90783%0.831SS**  trans-6995-17300000116
142R25.9Very low24.8Very low240 Ų240137.7 Ų137.791%0.90683%0.829SS**  trans-96.9122.7157.5-87.8-175169.4179.2-1.9110.3G140 L144G140-R142 PolarHBondContact O-N 3.46Å; R142-L144 PolarHBondContact O-N 3.31Å
143K26.5Very low24.7Very low213 Ų213137.7 Ų137.793%0.92683%0.829SS**  trans-69.3113.6174.5-68.6179.9177.4178.90110.1
144L23.6Very low24.8Very low170 Ų170135.4 Ų135.489%0.8982%0.824SS**PPolyproline II helixtrans-83.6139.9167.4-13774.4000110.3R142R142-L144 PolarHBondContact O-N 3.31Å
145K23.7Very low24.8Very low181 Ų181135.5 Ų135.579%0.78783%0.825SS**PPolyproline II helixtrans-94.4132.4-178.3-176.3178.5178.8-177.30109.2T147K145-T147 PolarHBondContact O-N 3.07Å
146T23.6Very low24.8Very low141 Ų141135.1 Ų135.187%0.86582%0.822SS**PPolyproline II helixtrans-74.2122.417837.70000111.7
147T22.5Very low25.1Very low123 Ų123136.5 Ų136.576%0.75583%0.825SS**  trans-140.8135.716746.10000110.1K145K145-T147 PolarHBondContact O-N 3.07Å
148S23.9Very low25.3Very low131 Ų131139.4 Ų139.492%0.91683%0.825SS**  trans-52.1144.2-176.8-172.80000114.9
149G23Very low25.4Very low74 Ų74142.4 Ų142.476%0.76383%0.828SS**  trans175.2121.3168.700000112.2
150T30.2Very low25.2Very low130 Ų130142.5 Ų142.580%0.79882%0.816SS**  trans-91.8130.9178.348.30000111.9
151N24.7Very low25.1Very low170 Ų170147.8 Ų147.891%0.90982%0.821SS**  trans-172.8170.4142.5-93.2-24.7000110.1
152S25.6Very low25.1Very low103 Ų103151.4 Ų151.472%0.7281%0.812SS**  trans-121171.4-161.452.40000114.8
153V22.5Very low25.1Very low135 Ų135146.9 Ų146.982%0.81880%0.802SS**  trans78.9139.2170.3-169.50000115.8
154P27Very low25.2Very low116 Ų116141.2 Ų141.275%0.75378%0.781SS**  cis-114.7169.9-22.536.7-23.4000113
155A23.1Very low25.4Very low97 Ų97137.4 Ų137.480%0.80276%0.76SS**  trans-87.4122.6168.800000111.1
156N23.8Very low25.6Very low155 Ų155133.9 Ų133.983%0.82975%0.747SS**  trans-81.3114.2172.7-172.7-10.7000109.6Q158N156-Q158 PolarHBondContact O-N 3.33Å
157Q29Very low25.8Very low165 Ų165131.1 Ų131.177%0.77173%0.729SS**  trans-79.3109.1179.3-67.9-173.610.500111.1Q159Q157-Q159 PolarHBondContact O-N 2.98Å
158Q28.6Very low26.3Very low177 Ų177130.4 Ų130.483%0.82772%0.717SS**  trans-68.2110.1160.2-72.3-177.2-34.200109.1N156 Q160N156-Q158 PolarHBondContact O-N 3.33Å; Q158-Q160 PolarHBondContact O-N 2.81Å; Q158-Q160 VanDerWaalsContact O-N 3.09Å
159Q25.8Very low26.6Very low169 Ų169128.6 Ų128.679%0.7970%0.697SS**  trans-68.2104.7174.7-72.6-177.3-20.600110.4Q157 Q161Q157-Q159 PolarHBondContact O-N 2.98Å; Q159-Q161 PolarHBondContact O-N 3.2Å
160Q25.9Very low26.9Very low143 Ų143129.2 Ų129.267%0.66868%0.683SS**  trans-79.3106167-65.8-177.92.900108.7Q158 F162Q158-Q160 PolarHBondContact O-N 2.81Å; Q158-Q160 VanDerWaalsContact O-N 3.09Å; Q160-F162 HydrophobicContact CB-CE2 3.88Å; Q160-F162 HydrophobicContact CB-CZ 4.15Å; Q160-F162 WeakPolarHBondContact O-CD2 3.42Å; Q160-F162 PolarHBondContact O-N 3Å
161Q24.9Very low26.9Very low182 Ų182129 Ų12985%0.8568%0.684SS**  trans-78.2114170.6-76.2-170.1-28.400110.1Q159Q159-Q161 PolarHBondContact O-N 3.2Å
162F24Very low27.2Very low164 Ų164124.1 Ų124.172%0.71966%0.663SS**  trans-90120.5169.5-62.4-87000109.3Q160Q160-F162 HydrophobicContact CB-CE2 3.88Å; Q160-F162 HydrophobicContact CB-CZ 4.15Å; Q160-F162 WeakPolarHBondContact O-CD2 3.42Å; Q160-F162 PolarHBondContact O-N 3Å
163Q26.2Very low27.6Very low146 Ų146124.9 Ų124.968%0.68268%0.676SS**  trans-100.5114.8168.6-98.4-176.9-7.600109.9
164I27.3Very low28.2Very low94 Ų94121.7 Ų121.748%0.48267%0.67SS.*PPolyproline II helixtrans-92118171.3-59.6174.3000107.6
165I27.6Very low28.4Very low90 Ų90120.6 Ų120.646%0.46268%0.68SS.*EExtended strand (participates in β ladder)trans-100.5121.1176.9-64.7171.5000108.3V167 V181I165-V167 HydrophobicContact CG2-CG2 4.07Å; I165-V181 HydrophobicContact CG2-CG1 4.11Å
166Q29Very low28.6Very low107 Ų107117.8 Ų117.850%0.566%0.66SS.*EExtended strand (participates in β ladder)trans-99.5142.5159.9-69.4-163.2-1.600109.9
167V28.2Very low28.8Very low83 Ų83114.3 Ų114.350%0.50365%0.645SS.*EExtended strand (participates in β ladder)trans-118.4122.1175.1179.90000107.5I165 Y179I165-V167 HydrophobicContact CG2-CG2 4.07Å; V167-Y179 HydrophobicContact CG1-CD1 3.62Å; V167-Y179 HydrophobicContact CG1-CE1 4.41Å; V167-Y179 HydrophobicContact CG1-CG 4.14Å
168Q31Very low28.7Very low107 Ų107112.8 Ų112.850%0.564%0.637SS.*EExtended strand (participates in β ladder)trans-118.8141.1179.2-162.8150.885.200110.4
169N30.3Very low28.7Very low93 Ų93110.9 Ų110.950%0.49762%0.624SS.*EExtended strand (participates in β ladder)trans-95.8120.7-174.6-177.1-16.7000109.7Y179N169-Y179 HydrophobicContact CB-CE1 4.46Å
170L29.3Very low28.8Very low87 Ų87108.7 Ų108.746%0.45561%0.613SS.*EExtended strand (participates in β ladder)trans-103.4119.5174.3-95.768.7000110.7S172L170-S172 PolarHBondContact O-N 3Å
171P31.6Very low28.9Very low126 Ų126106.1 Ų106.182%0.81861%0.607SS**  trans-73.897.4176.629.9-33.5000110.9
172S30.6Very low29.1Very low67 Ų67101 Ų10147%0.46959%0.585SS.*  trans-79.8129.5170.9-68.60000111.2L170 G174L170-S172 PolarHBondContact O-N 3Å; S172-G174 PolarHBondContact O-N 3.49Å
173A34.6Very low29.2Very low120 Ų12097.6 Ų97.699%0.99258%0.579SS**SBendtrans-74.663.2174.800000111.8
174G33.7Very low29.5Very low67 Ų6794.8 Ų94.869%0.69157%0.566SS**SBendtrans-177.239.5-16900000115.9S172 G176S172-G174 PolarHBondContact O-N 3.49Å; G174-G176 VanDerWaalsContact C-N 3.27Å; G174-G176 PolarHBondContact O-N 3.43Å
175G32Very low29.4Very low94 Ų9497.7 Ų97.797%0.96958%0.582SS**SBendtrans68.98.5163.300000117.8
176G26.6Very low29.5Very low38 Ų3899.2 Ų99.239%0.39259%0.587SS.*  trans-143.4137.3177.800000112.4G174G174-G176 VanDerWaalsContact C-N 3.27Å; G174-G176 PolarHBondContact O-N 3.43Å
177V28.5Very low29.5Very low82 Ų8297.9 Ų97.950%0.49759%0.586SS.*  trans-85.7129.2172.11790000108.6Y179V177-Y179 HydrophobicContact CG1-CD1 4.44Å; V177-Y179 HydrophobicContact CG1-CD2 4.41Å; V177-Y179 HydrophobicContact CG1-CE1 3.93Å; V177-Y179 HydrophobicContact CG1-CE2 3.9Å
178Q26.2Very low29.6Very low132 Ų13299 Ų9962%0.61760%0.603SS**EExtended strand (participates in β ladder)trans-110.4135.3173.3-70-69.1-16.200109
179Y29.5Very low29.4Very low138 Ų138100.7 Ų100.754%0.54162%0.616SS.*EExtended strand (participates in β ladder)trans-111.9124.9177.9-65.5-71.5000109.7V167 N169 V177V167-Y179 HydrophobicContact CG1-CD1 3.62Å; V167-Y179 HydrophobicContact CG1-CE1 4.41Å; V167-Y179 HydrophobicContact CG1-CG 4.14Å; N169-Y179 HydrophobicContact CB-CE1 4.46Å; V177-Y179 HydrophobicContact CG1-CD1 4.44Å; V177-Y179 HydrophobicContact CG1-CD2 4.41Å; V177-Y179 HydrophobicContact CG1-CE1 3.93Å; V177-Y179 HydrophobicContact CG1-CE2 3.9Å
180Q28Very low29.5Very low122 Ų12298.9 Ų98.957%0.5762%0.62SS**EExtended strand (participates in β ladder)trans-103.5131.3174.5-167.2169.76.600110.1
181V28.3Very low29.5Very low90 Ų90102 Ų10255%0.54563%0.632SS.*EExtended strand (participates in β ladder)trans-94.8122.1175.4169.80000108.6I165I165-V181 HydrophobicContact CG2-CG1 4.11Å
182I28.7Very low29.3Very low74 Ų74103 Ų10338%0.37963%0.626SS.*EExtended strand (participates in β ladder)trans-109.7113177.2-61.8166.3000108.7
183P26.6Very low29Very low92 Ų92105.4 Ų105.460%0.59763%0.632SS**EExtended strand (participates in β ladder)trans-82.9119.5174.831.5-31.4000110.7
184H31.8Very low28.7Very low88 Ų88108 Ų10841%0.40762%0.623SS.*PPolyproline II helixtrans-87.7131.4169.2-70.7-86.6000110.9
185L25.9Very low28.2Very low155 Ų155111.4 Ų111.481%0.81262%0.624SS**PPolyproline II helixtrans-99.6128.3169.9-71.6166.6000109.3
186Q28.7Very low27.7Very low121 Ų121113.1 Ų113.157%0.56561%0.611SS**  trans-107.6137.2165.8-72.2-177.3-1000109.1
187T30Very low27.6Very low80 Ų80116.5 Ų116.549%0.49163%0.626SS.*  trans-83.6160.6167.251.90000110.4D189 G190T187-D189 PolarHBondContact O-N 3.08Å; T187-D189 VanDerWaalsContact O-N 3.07Å; T187-G190 PolarHBondContact O-N 3.01Å
188A28.8Very low27.3Very low105 Ų105120.3 Ų120.387%0.86864%0.639SS**THydrogen-bonded Turntrans-61-20.9-173.300000114.2G190A188-G190 VanDerWaalsContact C-N 3.32Å; A188-G190 PolarHBondContact O-N 2.87Å
189D28.5Very low27.2Very low143 Ų143119.9 Ų119.977%0.76565%0.648SS**THydrogen-bonded Turntrans-88.76.9-176.4-44.1-74.2000113.7T187 Q191T187-D189 PolarHBondContact O-N 3.08Å; T187-D189 VanDerWaalsContact O-N 3.07Å; D189-Q191 PolarHBondContact O-N 2.87Å
190G31.7Very low26.8Very low56 Ų56118 Ų11858%0.57766%0.661SS**  trans78.66166.400000116.9T187 A188T187-G190 PolarHBondContact O-N 3.01Å; A188-G190 VanDerWaalsContact C-N 3.32Å; A188-G190 PolarHBondContact O-N 2.87Å
191Q29.6Very low26.6Very low153 Ų153117.8 Ų117.872%0.71567%0.673SS**  trans-78.4129.5173.3-67.4-162.71.300111.8D189D189-Q191 PolarHBondContact O-N 2.87Å
192Q27.5Very low26.6Very low146 Ų146122.4 Ų122.468%0.68269%0.692SS**  trans-87.8120.1175.2-63.8-177.4-0.100110.4H194Q192-H194 PolarHBondContact O-N 2.87Å
193I24.8Very low26.4Very low118 Ų118122.3 Ų122.361%0.60571%0.709SS**  trans-82.7102.5172.4-57.3176.6000108.6I195I193-I195 HydrophobicContact CG2-CG1 4.42Å; I193-I195 PolarHBondContact O-N 2.95Å
194H26.8Very low26.3Very low174 Ų174122.9 Ų122.981%0.80672%0.722SS**  trans-71.6111.8169.7-105.4133000110.1Q192Q192-H194 PolarHBondContact O-N 2.87Å
195I24.1Very low25.8Very low139 Ų139126.9 Ų126.971%0.71375%0.745SS**  trans-91.9113.4165.4-56.4177.3000107I193 P197I193-I195 HydrophobicContact CG2-CG1 4.42Å; I193-I195 PolarHBondContact O-N 2.95Å; I195-P197 WeakPolarHBondContact O-CD 3.48Å
196N21.4Very low26Very low130 Ų130123.8 Ų123.870%0.69574%0.735SS**  trans-99.6109.8-176.9-177.324.9000111Q198N196-Q198 PolarHBondContact O-N 3.06Å
197P24.4Very low25.7Very low109 Ų109126.2 Ų126.271%0.70875%0.746SS**  trans-79.8107.8179.631.2-32.9000111.7I195I195-P197 WeakPolarHBondContact O-CD 3.48Å
198Q21.3Very low25.4Very low162 Ų162130.3 Ų130.376%0.75776%0.759SS**  trans-76.2132.8162.4-81.7-80.6-75.900109.9N196 A200N196-Q198 PolarHBondContact O-N 3.06Å; Q198-A200 PolarHBondContact O-N 3.45Å
199P24.6Very low25.1Very low123 Ų123130.8 Ų130.880%0.79975%0.751SS**  trans-78.4119177.830.6-32.8000111.1
200A22Very low24.9Very low99 Ų99133.2 Ų133.282%0.81876%0.758SS**  trans-120.8134.1175.600000111.2Q198Q198-A200 PolarHBondContact O-N 3.45Å
201S24.2Very low24.4Very low117 Ų117137.3 Ų137.382%0.81877%0.766SS**  trans-81.5163.9-176.1-59.30000113.3G203S201-G203 PolarHBondContact O-N 3.04Å; S201-G203 VanDerWaalsContact O-N 3.15Å
202I27.9Very low24.1Very low187 Ų187137.6 Ų137.696%0.95977%0.771SS**SBendtrans-37.3110.4175.8-58.2165.9000113.1
203G24.6Very low23.9Very low72 Ų72139 Ų13974%0.74278%0.777SS**  trans150.9108173.300000111.8S201S201-G203 PolarHBondContact O-N 3.04Å; S201-G203 VanDerWaalsContact O-N 3.15Å
204A24.5Very low23.9Very low103 Ų103138.8 Ų138.885%0.85178%0.782SS**  trans-111.6122.6-16500000114.9
205L20Very low24Very low172 Ų172136.3 Ų136.390%0.90178%0.781SS**  trans-135.2148.9149.3-96.5167.9000107.4
206P29.9Very low24.1Very low91 Ų91137 Ų13759%0.59179%0.786SS**  trans-106.6147.9-156.238.5-35.1000116.6
207E23.2Very low24.4Very low172 Ų172136.3 Ų136.380%0.80479%0.791SS**  trans-152.5145.4158.9-108.2-162.295.900106
208Q24.1Very low24.7Very low166 Ų166135.3 Ų135.378%0.77680%0.801SS**  cis-137.4168.513.2-59.6-174.2-40.700111.7
209V22.7Very low25Very low115 Ų115135 Ų13570%0.69780%0.799SS**  trans-117.3130.2175.5175.70000110.1
210Q24.1Very low25.2Very low194 Ų194133 Ų13391%0.90779%0.794SS**  trans-87.4115.2168.8-76.3-170-8.500111
211L21.6Very low25.4Very low141 Ų141135.3 Ų135.374%0.73879%0.787SS**  trans-91126164.7-73.9108.8000110.1Q213L211-Q213 PolarHBondContact O-N 3.05Å
212I23.5Very low25.6Very low159 Ų159132.2 Ų132.282%0.81577%0.769SS**  trans-85.5108.7165.1-59176.8000107.6
213Q22.8Very low25.6Very low175 Ų175130 Ų13082%0.81876%0.758SS**  trans-89.4114.2169.1-68.4-174.3-2.500109.7L211L211-Q213 PolarHBondContact O-N 3.05Å
214T24Very low25.8Very low115 Ų115133 Ų13371%0.70676%0.756SS**  trans-84138.3161.143.90000109.5
215P29.2Very low25.8Very low122 Ų122136 Ų13679%0.79275%0.752SS**SBendtrans-73.2133.4179.628-33000111.8
216N27.1Very low26.2Very low152 Ų152133.5 Ų133.581%0.81375%0.747SS**SBendtrans75.4142.9178.4-70.5-35.9000119
217S26Very low25.9Very low116 Ų116132.4 Ų132.481%0.81175%0.745SS**SBendtrans71.150.4169.664.10000119.8Q219S217-Q219 VanDerWaalsContact C-N 3.33Å; S217-Q219 PolarHBondContact O-N 3.24Å
218G31.4Very low26.3Very low88 Ų88132.8 Ų132.891%0.90775%0.753SS**SBend70.2-0126.900000120.9
219Q27.8Very low26.6Very low155 Ų155133 Ų13372%0.72475%0.754SS**  trans-132.2117.9172.7-68.1-169.2-2.600111.5S217S217-Q219 VanDerWaalsContact C-N 3.33Å; S217-Q219 PolarHBondContact O-N 3.24Å
220A28.2Very low26.9Very low82 Ų82134.7 Ų134.768%0.67875%0.754SS**PPolyproline II helixtrans-86.5118.3171.600000109.9
221Q26.3Very low27.2Very low147 Ų147127.9 Ų127.969%0.68773%0.731SS**PPolyproline II helixtrans-102.6125.2173.3-67-175.9-3.700110.1
222A29.3Very low27.6Very low53 Ų53125.4 Ų125.444%0.43872%0.717SS.*BIsolated β-bridgetrans-99.7119.5173.100000110.1
223I27Very low27.9Very low140 Ų140121.9 Ų121.972%0.71870%0.7SS**  trans-109.9111.4177.9-56.8176.7000108.6
224L28.4Very low28.1Very low134 Ų134118.4 Ų118.470%0.70269%0.692SS**  trans-85135.4177.3-72.6161.8000110.9
225Q26.3Very low28.4Very low166 Ų166118 Ų11878%0.77669%0.694SS**  trans-104.8149.8173.2-67.5-166.227.500111.3A227Q225-A227 PolarHBondContact O-N 3.32Å
226P27.1Very low28.3Very low121 Ų121117.6 Ų117.679%0.78669%0.69SS**SBendtrans-84.285.4-164.733.4-36.6000113.6
227A24.7Very low28.3Very low68 Ų68114.7 Ų114.756%0.56269%0.687SS**SBendtrans-151.9105.8161.700000111.3Q225 Q229Q225-A227 PolarHBondContact O-N 3.32Å; A227-Q229 WeakPolarHBondContact O-CG 3.34Å; A227-Q229 PolarHBondContact O-N 2.71Å; A227-Q229 VanDerWaalsContact O-N 3.07Å; A227-Q229 PolarHBondContact O-NE2 3.04Å
228N31.6Very low28.6Very low180 Ų180117.1 Ų117.196%0.96369%0.691SS**SBendtrans14.273.9167.7-71.2-8000117.3
229Q29.3Very low28.4Very low171 Ų171120.8 Ų120.880%0.79968%0.684SS**  trans-132.5138.7173.9-80.7169.293.600111.6A227A227-Q229 WeakPolarHBondContact O-CG 3.34Å; A227-Q229 PolarHBondContact O-N 2.71Å; A227-Q229 VanDerWaalsContact O-N 3.07Å; A227-Q229 PolarHBondContact O-NE2 3.04Å
230Q30.1Very low28.4Very low150 Ų150118.8 Ų118.870%0.70168%0.683SS**  trans-87.7131.5174.8-66.4174.6-20.800109.4
231A29.4Very low28.6Very low51 Ų51118.4 Ų118.442%0.42167%0.672SS.*  trans-91.6112.1177.400000110.9
232I29.4Very low28.8Very low88 Ų88114.8 Ų114.845%0.45166%0.661SS.*  trans-98.1123.5172.4-57.4176.3000108.4
233L30.1Very low28.9Very low85 Ų85115 Ų11545%0.44566%0.655SS.*  trans-104.8110.4-178.7-75.8165.3000110.7S235 L255L233-S235 PolarHBondContact O-N 3.2Å; L233-L255 HydrophobicContact CD1-CD2 3.95Å
234P28Very low29.1Very low102 Ų102116 Ų11666%0.66266%0.656SS**  trans-73.598.4177.129.2-33.3000110.8T236P234-T236 PolarHBondContact O-N 3.25Å
235S29.3Very low29.3Very low106 Ų106113 Ų11374%0.74164%0.641SS**  trans-71.791179.7170.10000112.7L233L233-S235 PolarHBondContact O-N 3.2Å
236T26.9Very low29.5Very low115 Ų115115.8 Ų115.871%0.70664%0.644SS**  trans-99.5151.8153.551.60000110.1P234P234-T236 PolarHBondContact O-N 3.25Å
237A28.5Very low29.5Very low91 Ų91116.5 Ų116.575%0.75265%0.648SS**SBendtrans-67.6143.9-159.600000114.9
238N30.5Very low29.6Very low166 Ų166116.7 Ų116.789%0.88865%0.65SS**SBendtrans54.960.1168.7-67.1-2.8000116.4
239Q28.5Very low29.5Very low165 Ų165116.2 Ų116.277%0.77164%0.642SS**  trans-128.6136.3158-64.1-166.420.900111.7
240T28Very low29.4Very low113 Ų113112.7 Ų112.769%0.69363%0.632SS**  trans-103.3106.9-179.5-44.70000109.3P270T240-P270 HydrophobicContact CG2-CG 3.61Å
241V32.2Very low29.4Very low75 Ų75110.8 Ų110.846%0.45562%0.622SS.*  trans-103.2114.5-177.5-177.60000110.2L243V241-L243 PolarHBondContact O-N 2.8Å
242P29.8Very low29.3Very low70 Ų70113 Ų11346%0.45563%0.632SS.*PPolyproline II helixtrans-77.9119.9177.230.6-32.5000111.1
243L31.4Very low29.4Very low59 Ų59111.4 Ų111.431%0.30962%0.624SS.*BIsolated β-bridgetrans-97.8125.2172.9-64.3173.4000110.2V241V241-L243 PolarHBondContact O-N 2.8Å
244Q31.3Very low29.4Very low160 Ų160111.8 Ų111.875%0.74862%0.623SS**BIsolated β-bridgetrans-96.8128.1165.5-90.4-163.8-1.600110.3
245I33.8Very low29.6Very low72 Ų72110.9 Ų110.937%0.36961%0.612SS.*  trans-119.5129174-56.4176000107.7
246R28.6Very low29.6Very low223 Ų223111.5 Ų111.584%0.84260%0.604SS**  trans-78.8142.7175.1-73.9-175.9174.8-179.9-1.5110.2A248R246-A248 VanDerWaalsContact C-N 3.33Å; R246-A248 PolarHBondContact O-N 3.37Å
247P28.5Very low29.8Very low136 Ų136110.3 Ų110.388%0.88360%0.596SS**SBendtrans-78.175.7-172.432.4-36.8000112.8
248A27.3Very low29.8Very low72 Ų72112.7 Ų112.760%0.59560%0.596SS**SBendtrans-156.3125.9162.300000111.1R246R246-A248 VanDerWaalsContact C-N 3.33Å; R246-A248 PolarHBondContact O-N 3.37Å
249Q28.5Very low29.8Very low171 Ų171114.5 Ų114.580%0.79960%0.599SS**SBendtrans72.6152.1176.4-51.6-172.9-2.100116.9F251Q249-F251 HydrophobicContact CB-CE2 4.48Å; Q249-F251 HydrophobicContact CB-CZ 4.31Å; Q249-F251 WeakPolarHBondContact O-CD2 3.31Å; Q249-F251 VanDerWaalsContact O-CE2 3.31Å; Q249-F251 WeakPolarHBondContact O-CE2 3.42Å
250T28.3Very low29.9Very low97 Ų97110.4 Ų110.460%0.59560%0.601SS**  trans-98.9135.2-171.9-29.90000110.5
251F29.3Very low29.9Very low109 Ų109109.3 Ų109.348%0.47860%0.598SS.*  trans-126.3133-176.2-59.5-80.6000112.4Q249Q249-F251 HydrophobicContact CB-CE2 4.48Å; Q249-F251 HydrophobicContact CB-CZ 4.31Å; Q249-F251 WeakPolarHBondContact O-CD2 3.31Å; Q249-F251 VanDerWaalsContact O-CE2 3.31Å; Q249-F251 WeakPolarHBondContact O-CE2 3.42Å
252P27.6Very low29.8Very low97 Ų97113.7 Ų113.763%0.6361%0.613SS**  trans-78.4120.7171.731.1-31.9000110.7
253I31.5Very low29.7Very low55 Ų55114.7 Ų114.728%0.28262%0.618SS.*  trans-97132.4173.5-57.2178.9000108.3L255 L294I253-L255 HydrophobicContact CG2-CG 4.46Å; I253-L294 HydrophobicContact CD1-CD1 4.23Å
254Q30.5Very low29.6Very low93 Ų93117 Ų11744%0.43564%0.637SS.*  trans-113.4108.8170.1-74.2-162.1-11.500110.4Q256 A291Q254-Q256 PolarHBondContact O-N 3.34Å; Q254-A291 HydrophobicContact CG-CB 4.32Å
255L31.8Very low29.6Very low83 Ų83113.2 Ų113.244%0.43562%0.624SS.*  trans-83.2108.2172.1-72.8162.7000108.9L233 I253L233-L255 HydrophobicContact CD1-CD2 3.95Å; I253-L255 HydrophobicContact CG2-CG 4.46Å
256Q29.4Very low29.2Very low120 Ų120116.3 Ų116.356%0.56164%0.639SS**  trans-100110.7-179.4-139.5172.531.500110Q254Q254-Q256 PolarHBondContact O-N 3.34Å
257T31.7Very low29.4Very low90 Ų90109.2 Ų109.255%0.55262%0.62SS**  trans-82.3122.3179.346.60000110.7Q259T257-Q259 PolarHBondContact O-N 2.98Å
258L28.4Very low29.4Very low140 Ų140107.1 Ų107.173%0.73361%0.605SS**  trans-65.2131.8168.6-82.680.7000109.2G260L258-G260 PolarHBondContact O-N 3.44Å
259Q29.3Very low29.6Very low205 Ų205106.4 Ų106.496%0.95859%0.593SS**SBendtrans-70.8109.8-179.5-65.9-179.5-14.500110T257T257-Q259 PolarHBondContact O-N 2.98Å
260G30.9Very low29.7Very low79 Ų79100 Ų10081%0.81457%0.567SS**  trans-178.413.5-175.200000119.2L258L258-G260 PolarHBondContact O-N 3.44Å
261S28.8Very low30.2Very low90 Ų9096.7 Ų96.763%0.62955%0.545SS*.  trans-151146.3169-170.50000112.5T263S261-T263 PolarHBondContact OG-N 3.43Å; S261-T263 PolarHBondContact OG-OG1 2.98Å
262Q29.5Very low30.3Very low167 Ų16794.2 Ų94.278%0.7854%0.537SS*.  trans-105.914.1177.6-74.3-75.4-3.600112.6
263T28.1Very low30.8Very low91 Ų9191.6 Ų91.656%0.55852%0.517SS*.SBendtrans-106.8131.1177.754.40000111.5S261 V265S261-T263 PolarHBondContact OG-N 3.43Å; S261-T263 PolarHBondContact OG-OG1 2.98Å; T263-V265 PolarHBondContact O-N 2.95Å
264P29.7Very low30.8Very low107 Ų10793.5 Ų93.570%0.69555%0.551SS**  trans-73.794.2175.829.7-33.6000110.2
265V29.4Very low31Very low81 Ų8192.6 Ų92.649%0.49157%0.566SS.*  trans-82.6120.9171.4-178.20000108.8T263 T267T263-V265 PolarHBondContact O-N 2.95Å; V265-T267 PolarHBondContact O-N 3.05Å
266M26.2Very low30.9Very low137 Ų13795.1 Ų95.168%0.67558%0.577SS**EExtended strand (participates in β ladder)trans-79.4105.4167.4-124.9-158.1-60.800108.5P281 I283M266-P281 HydrophobicContact SD-CB 3.99Å; M266-I283 HydrophobicContact CG-CG1 4.4Å
267T32Very low31.1Very low73 Ų7393.4 Ų93.445%0.44858%0.575SS.*EExtended strand (participates in β ladder)trans-99.8118.5175.2-56.90000109.2V265 V269 V282V265-T267 PolarHBondContact O-N 3.05Å; T267-V269 HydrophobicContact CG2-CG2 4.38Å; T267-V282 PolarHBondContact N-O 3.46Å; T267-V282 PolarHBondContact O-N 3.15Å
268T28.6Very low31.2Very low92 Ų9292.7 Ų92.756%0.56457%0.568SS**EExtended strand (participates in β ladder)trans-90.5116.8173.40.30000110.5P270 A279 L280T268-P270 WeakPolarHBondContact O-CD 3.48Å; T268-A279 HydrophobicContact CG2-CB 4.14Å; T268-L280 WeakPolarHBondContact CA-O 3.42Å
269V32.6Very low31.3Very low57 Ų5789.2 Ų89.235%0.34556%0.559SS.*EExtended strand (participates in β ladder)trans-100.1116.8176.6-177.60000109.8T267 I271 L278 L280T267-V269 HydrophobicContact CG2-CG2 4.38Å; V269-I271 HydrophobicContact CG1-CG1 4.26Å; V269-L278 VanDerWaalsContact O-O 3.13Å; V269-L280 PolarHBondContact N-O 3.07Å; V269-L280 VanDerWaalsContact N-O 3.08Å; V269-L280 PolarHBondContact O-N 3.03Å
270P30.3Very low31.6Very low38 Ų3881.5 Ų81.525%0.24752%0.524CS..EExtended strand (participates in β ladder)trans-86.2113174.732-30.9000111.4T240 T268 T277 L278T240-P270 HydrophobicContact CG2-CG 3.61Å; T268-P270 WeakPolarHBondContact O-CD 3.48Å; P270-T277 HydrophobicContact CB-CG2 3.78Å; P270-L278 CarbonylContact C-O 3.55Å; P270-L278 VanDerWaalsContact CA-O 3.31Å; P270-L278 WeakPolarHBondContact CA-O 3.41Å
271I39.1Very low31.6Very low26 Ų2681.3 Ų81.313%0.13351%0.508CS..EExtended strand (participates in β ladder)trans-103.1130.7174.7-45.9-179.2000108.9V269 L273 T277 L278 L280 L294V269-I271 HydrophobicContact CG1-CG1 4.26Å; I271-L273 HydrophobicContact CB-CD1 4.42Å; I271-L273 HydrophobicContact CG2-CD1 3.63Å; I271-T277 WeakPolarHBondContact O-CA 3.39Å; I271-L278 PolarHBondContact N-O 2.63Å; I271-L278 PolarHBondContact O-N 3.33Å; I271-L280 HydrophobicContact CD1-CD1 3.72Å; I271-L280 HydrophobicContact CG1-CD1 3.96Å; I271-L294 HydrophobicContact CD1-CD1 4.22Å
272N31.8Very low32Very low58 Ų5879.5 Ų79.531%0.3149%0.493SS..EExtended strand (participates in β ladder)trans-106.8117.7179.1-101.8-79.4000112.1M276 T277N272-M276 WeakPolarHBondContact CA-O 3.46Å; N272-T277 VanDerWaalsContact CG-OG1 3.29Å; N272-T277 PolarHBondContact ND2-OG1 2.89Å; N272-T277 PolarHBondContact OD1-OG1 3.17Å
273L37.4Very low32.2Very low41 Ų4177.1 Ų77.122%0.21549%0.485CS..EExtended strand (participates in β ladder)trans-127.6123.2170.5-64.999000109.7I271 G275 M276 F302I271-L273 HydrophobicContact CB-CD1 4.42Å; I271-L273 HydrophobicContact CG2-CD1 3.63Å; L273-G275 PolarHBondContact O-N 2.87Å; L273-M276 PolarHBondContact N-O 3.15Å; L273-M276 PolarHBondContact O-N 3.33Å; L273-F302 HydrophobicContact CD2-CE1 4.31Å; L273-F302 HydrophobicContact CD2-CZ 3.94Å
274G31.4Very low32.6Very low96 Ų9676.8 Ų76.899%0.9948%0.48SS*.THydrogen-bonded Turntrans58.721.6170.900000116.3
275G33.8Very low32.6Very low73 Ų7378.5 Ų78.575%0.75348%0.483SS*.THydrogen-bonded Turntrans96.3-3.1-175.600000115.1L273L273-G275 PolarHBondContact O-N 2.87Å
276M31.2Very low32.7Very low136 Ų13679.8 Ų79.867%0.6749%0.491SS*.EExtended strand (participates in β ladder)trans-97.9127.9171-67.1-173.4-71.700111N272 L273N272-M276 WeakPolarHBondContact CA-O 3.46Å; L273-M276 PolarHBondContact N-O 3.15Å; L273-M276 PolarHBondContact O-N 3.33Å
277T31.8Very low32.9Very low84 Ų8478.2 Ų78.252%0.51550%0.499SS..EExtended strand (participates in β ladder)trans-96.6112.2171.3-59.60000110P270 I271 N272P270-T277 HydrophobicContact CB-CG2 3.78Å; I271-T277 WeakPolarHBondContact O-CA 3.39Å; N272-T277 VanDerWaalsContact CG-OG1 3.29Å; N272-T277 PolarHBondContact ND2-OG1 2.89Å; N272-T277 PolarHBondContact OD1-OG1 3.17Å
278L34.9Very low32.9Very low76 Ų7678 Ų7840%0.39851%0.512SS..EExtended strand (participates in β ladder)trans-92.6119.5172.5-67.6172.2000109.6V269 P270 I271 L280 F302V269-L278 VanDerWaalsContact O-O 3.13Å; P270-L278 CarbonylContact C-O 3.55Å; P270-L278 VanDerWaalsContact CA-O 3.31Å; P270-L278 WeakPolarHBondContact CA-O 3.41Å; I271-L278 PolarHBondContact N-O 2.63Å; I271-L278 PolarHBondContact O-N 3.33Å; L278-L280 HydrophobicContact CB-CD1 4.1Å; L278-F302 HydrophobicContact CD1-CD2 4.27Å
279A31.1Very low33.1Very low67 Ų6780.1 Ų80.155%0.55453%0.531SS*.EExtended strand (participates in β ladder)trans-101.2105.6176.500000110.4T268T268-A279 HydrophobicContact CG2-CB 4.14Å
280L35.7Very low33.2Very low43 Ų4379 Ų7923%0.22553%0.531CS..EExtended strand (participates in β ladder)trans-95.9119.3-176.7-67.393.3000111.6T268 V269 I271 L278 V282 V304T268-L280 WeakPolarHBondContact CA-O 3.42Å; V269-L280 PolarHBondContact N-O 3.07Å; V269-L280 VanDerWaalsContact N-O 3.08Å; V269-L280 PolarHBondContact O-N 3.03Å; I271-L280 HydrophobicContact CD1-CD1 3.72Å; I271-L280 HydrophobicContact CG1-CD1 3.96Å; L278-L280 HydrophobicContact CB-CD1 4.1Å; L280-V282 PolarHBondContact O-N 3.26Å; L280-V304 HydrophobicContact CD2-CG2 3.71Å
281P30.1Very low33.3Very low74 Ų7479 Ų7948%0.48153%0.534SS..EExtended strand (participates in β ladder)trans-79.6112.4172.831-31.9000110.7M266M266-P281 HydrophobicContact SD-CB 3.99Å
282V36.5Very low33.2Very low52 Ų5279.4 Ų79.432%0.31554%0.537SS..EExtended strand (participates in β ladder)trans-91.9120.7175-176.50000109.8T267 L280T267-V282 PolarHBondContact N-O 3.46Å; T267-V282 PolarHBondContact O-N 3.15Å; L280-V282 PolarHBondContact O-N 3.26Å
283I34Very low33.4Very low118 Ų11881.7 Ų81.761%0.60555%0.546SS*.EExtended strand (participates in β ladder)trans-100.4104.8171.5-57.2175.6000108.3M266 N285M266-I283 HydrophobicContact CG-CG1 4.4Å; I283-N285 PolarHBondContact O-N 3.42Å
284N36.3Very low33.3Very low83 Ų8382 Ų8244%0.44455%0.548SS..  trans-73.6108.1168.5-86.2-29.6000109.6
285N29.8Very low33.6Very low144 Ų14481.3 Ų81.377%0.7752%0.521SS*.  trans-117.5150.6167.9-129.4-29000109.7I283I283-N285 PolarHBondContact O-N 3.42Å
286V30.8Very low33.5Very low108 Ų10882.5 Ų82.566%0.65551%0.507SS*.SBendtrans-83.1152.6-146.8-178.90000114.5
287A31.7Very low33.5Very low103 Ų10378.2 Ų78.285%0.85149%0.49SS*.SBendtrans72.162.2166.100000118.5
288G31.2Very low33.4Very low70 Ų7080 Ų8072%0.72251%0.513SS*.  trans-172.6142.6159.400000113.5G290G288-G290 PolarHBondContact O-N 3.32Å
289S33.6Very low33.1Very low135 Ų13581.7 Ų81.794%0.94452%0.523SS*.  trans-79.568.5171.156.90000110.5
290G33.7Very low33.2Very low34 Ų3480.3 Ų80.335%0.35152%0.516SS..  trans-76.7119.1-179.800000112.3G288G288-G290 PolarHBondContact O-N 3.32Å
291A34.3Very low33Very low38 Ų3881.7 Ų81.731%0.31453%0.526SS..  trans-77.2135.5167.300000110Q254Q254-A291 HydrophobicContact CG-CB 4.32Å
292V36.3Very low33.3Very low34 Ų3481.6 Ų81.621%0.20652%0.518CS..EExtended strand (participates in β ladder)trans-106.3108.7179.3-178.30000109.3V304 A305 N306V292-V304 HydrophobicContact CG1-CG1 3.57Å; V292-A305 CarbonylContact C-O 3.57Å; V292-A305 WeakPolarHBondContact CA-O 3.48Å; V292-N306 HydrophobicContact CG2-CB 4.16Å
293Q35.8Very low33.2Very low107 Ų10781.3 Ų81.350%0.552%0.518SS..EExtended strand (participates in β ladder)trans-94.8126.4178.6-67.9-173.6-5.400111.1A305Q293-A305 PolarHBondContact N-O 2.92Å; Q293-A305 PolarHBondContact O-N 3.11Å
294L35.9Very low33.3Very low47 Ų4777.4 Ų77.425%0.24650%0.499CS..EExtended strand (participates in β ladder)trans-91.7114.4166.8-86.4153.4000108.3I253 I271 V304I253-L294 HydrophobicContact CD1-CD1 4.23Å; I271-L294 HydrophobicContact CD1-CD1 4.22Å; L294-V304 HydrophobicContact CD2-CG2 3.73Å; L294-V304 HydrophobicContact CG-CG2 4.43Å
295I36.3Very low33.3Very low82 Ų8274.8 Ų74.842%0.42149%0.49SS..EExtended strand (participates in β ladder)trans-108.7117.6-179.9-57.3175.7000107.8F302 S303I295-F302 WeakPolarHBondContact O-CA 3.44Å; I295-S303 PolarHBondContact N-O 3.32Å; I295-S303 PolarHBondContact O-N 3.38Å
296Q33.4Very low33.5Very low97 Ų9771.7 Ų71.745%0.45347%0.473SS..EExtended strand (participates in β ladder)trans-91.6121.3170.2-170.1177.33.100109.4T301 F302Q296-T301 WeakPolarHBondContact CA-O 3.33Å; Q296-F302 HydrophobicContact CB-CD1 3.87Å; Q296-F302 HydrophobicContact CB-CE1 3.64Å; Q296-F302 HydrophobicContact CB-CZ 4.36Å; Q296-F302 VanDerWaalsContact CD-CE1 3.48Å; Q296-F302 HydrophobicContact CG-CD1 3.99Å; Q296-F302 HydrophobicContact CG-CE1 3.52Å; Q296-F302 HydrophobicContact CG-CE2 4.36Å; Q296-F302 HydrophobicContact CG-CZ 3.73Å
297S30.4Very low33.8Very low47 Ų4769.4 Ų69.433%0.32947%0.471SS..  trans-78.1158.1172.7-71.20000111.1D299 G300 T301S297-D299 WeakPolarHBondContact CB-OD1 3.31Å; S297-D299 PolarHBondContact O-N 3.45Å; S297-D299 VanDerWaalsContact O-N 3.09Å; S297-G300 PolarHBondContact O-N 3.26Å; S297-T301 WeakPolarHBondContact CB-OG1 3.36Å; S297-T301 PolarHBondContact N-O 3.43Å
298A29.6Very low34Very low121 Ų12171.4 Ų71.4100%147%0.468SS*.THydrogen-bonded Turntrans-67-8.6-178.400000114.6
299D29.4Very low34.1Very low111 Ų11174.9 Ų74.959%0.59447%0.465SS*.THydrogen-bonded Turntrans-90.6-1.8172.161.15.5000113.5S297 T301S297-D299 WeakPolarHBondContact CB-OD1 3.31Å; S297-D299 PolarHBondContact O-N 3.45Å; S297-D299 VanDerWaalsContact O-N 3.09Å; D299-T301 WeakPolarHBondContact OD1-CB 3.46Å; D299-T301 WeakPolarHBondContact OD1-CG2 3.46Å; D299-T301 PolarHBondContact OD1-N 2.92Å; D299-T301 PolarHBondContact OD1-OG1 3.06Å; D299-T301 PolarHBondContact OD2-OG1 3.26Å
300G33.1Very low33.9Very low39 Ų3974.5 Ų74.540%0.40245%0.452SS..SBendtrans88.40.7-176.900000115S297 F302S297-G300 PolarHBondContact O-N 3.26Å; G300-F302 WeakPolarHBondContact O-CD2 3.24Å; G300-F302 WeakPolarHBondContact O-CE2 3.4Å
301T31.8Very low33.8Very low71 Ų7177.1 Ų77.144%0.43646%0.461SS..  trans-76146.117563.20000111.8Q296 S297 D299Q296-T301 WeakPolarHBondContact CA-O 3.33Å; S297-T301 WeakPolarHBondContact CB-OG1 3.36Å; S297-T301 PolarHBondContact N-O 3.43Å; D299-T301 WeakPolarHBondContact OD1-CB 3.46Å; D299-T301 WeakPolarHBondContact OD1-CG2 3.46Å; D299-T301 PolarHBondContact OD1-N 2.92Å; D299-T301 PolarHBondContact OD1-OG1 3.06Å; D299-T301 PolarHBondContact OD2-OG1 3.26Å
302F35Very low33.4Very low73 Ų7381.2 Ų81.232%0.3248%0.482SS..EExtended strand (participates in β ladder)trans-113.3126.4178.6-66.3-90.6000110.2L273 L278 I295 Q296 G300L273-F302 HydrophobicContact CD2-CE1 4.31Å; L273-F302 HydrophobicContact CD2-CZ 3.94Å; L278-F302 HydrophobicContact CD1-CD2 4.27Å; I295-F302 WeakPolarHBondContact O-CA 3.44Å; Q296-F302 HydrophobicContact CB-CD1 3.87Å; Q296-F302 HydrophobicContact CB-CE1 3.64Å; Q296-F302 HydrophobicContact CB-CZ 4.36Å; Q296-F302 VanDerWaalsContact CD-CE1 3.48Å; Q296-F302 HydrophobicContact CG-CD1 3.99Å; Q296-F302 HydrophobicContact CG-CE1 3.52Å; Q296-F302 HydrophobicContact CG-CE2 4.36Å; Q296-F302 HydrophobicContact CG-CZ 3.73Å; G300-F302 WeakPolarHBondContact O-CD2 3.24Å; G300-F302 WeakPolarHBondContact O-CE2 3.4Å
303S34.6Very low33Very low45 Ų4585.1 Ų85.132%0.31551%0.506SS..EExtended strand (participates in β ladder)trans-113.7142.8175.1-66.90000110.9I295I295-S303 PolarHBondContact N-O 3.32Å; I295-S303 PolarHBondContact O-N 3.38Å
304V36.6Very low32.4Very low36 Ų3684.3 Ų84.322%0.21852%0.518CS..EExtended strand (participates in β ladder)trans-114.4119.2179.1-177.20000109.8L280 V292 L294L280-V304 HydrophobicContact CD2-CG2 3.71Å; V292-V304 HydrophobicContact CG1-CG1 3.57Å; L294-V304 HydrophobicContact CD2-CG2 3.73Å; L294-V304 HydrophobicContact CG-CG2 4.43Å
305A35.8Very low31.8Very low29 Ų2988.3 Ų88.324%0.2454%0.544CS..EExtended strand (participates in β ladder)trans-110.9116172.400000109.7V292 Q293 L310V292-A305 CarbonylContact C-O 3.57Å; V292-A305 WeakPolarHBondContact CA-O 3.48Å; Q293-A305 PolarHBondContact N-O 2.92Å; Q293-A305 PolarHBondContact O-N 3.11Å; A305-L310 HydrophobicContact CB-CD2 4.31Å
306N34.8Very low31.3Very low79 Ų7990.6 Ų90.642%0.42256%0.564SS.*EExtended strand (participates in β ladder)trans-96.8152.9158.7-167.5-4.6000107.8V292 N308 Q309V292-N306 HydrophobicContact CG2-CB 4.16Å; N306-N308 PolarHBondContact O-N 2.96Å; N306-Q309 PolarHBondContact N-O 2.99Å; N306-Q309 PolarHBondContact O-N 3.24Å; N306-Q309 VanDerWaalsContact O-O 3.08Å
307G37.4Very low30.9Very low60 Ų6089.1 Ų89.162%0.61958%0.575SS**THydrogen-bonded Turntrans-62.817-163.400000119
308N35Very low30.6Very low145 Ų14590.3 Ų90.378%0.77560%0.595SS**THydrogen-bonded Turntrans-157.18164.4-96.9-33.3000114.1N306N306-N308 PolarHBondContact O-N 2.96Å
309Q33.3Very low30.4Very low143 Ų14391 Ų9167%0.66859%0.586SS**EExtended strand (participates in β ladder)trans-147.3131.3-179.2-67.4-71.7-86.400111.2N306N306-Q309 PolarHBondContact N-O 2.99Å; N306-Q309 PolarHBondContact O-N 3.24Å; N306-Q309 VanDerWaalsContact O-O 3.08Å
310L28.8Very low30.2Very low127 Ų12791.3 Ų91.367%0.66559%0.594SS**EExtended strand (participates in β ladder)trans-93.8124.4162.2-96.6163.7000108.5A305A305-L310 HydrophobicContact CB-CD2 4.31Å
311V32.3Very low29.7Very low89 Ų8994.6 Ų94.654%0.53962%0.617SS.*  trans-115.6102.3178.8-179.20000109.3T313V311-T313 HydrophobicContact CG1-CG2 4.21Å
312T26.6Very low29.3Very low124 Ų12495.7 Ų95.776%0.76163%0.634SS**  trans-94.3110.5175.8-45.60000109.8
313T26.1Very low29.1Very low115 Ų11598.1 Ų98.171%0.70666%0.657SS**  trans-118106.517151.20000110.4V311V311-T313 HydrophobicContact CG1-CG2 4.21Å
314A23.3Very low28.5Very low90 Ų90101.8 Ų101.874%0.74468%0.682SS**  trans-124.1116.416900000108.6
315V24.2Very low27.9Very low131 Ų131105.3 Ų105.379%0.79472%0.715SS**  trans-128.2112.6174.2-1800000107.8G317V315-G317 VanDerWaalsContact C-N 3.32Å; V315-G317 PolarHBondContact O-N 3.03Å
316P25.7Very low27.3Very low131 Ų131107.6 Ų107.685%0.85174%0.742SS**  trans-76.384.417630.7-33.1000110G318P316-G318 PolarHBondContact O-N 3.44Å
317G24.6Very low26.7Very low66 Ų66108.9 Ų108.968%0.6876%0.757SS**  trans-73.680.2177.200000112.7V315 V319V315-G317 VanDerWaalsContact C-N 3.32Å; V315-G317 PolarHBondContact O-N 3.03Å; G317-V319 PolarHBondContact O-N 3.25Å
318G25Very low26Very low72 Ų72112.4 Ų112.474%0.74277%0.767SS**PPolyproline II helixtrans-68.9121.2169.900000111.4P316P316-G318 PolarHBondContact O-N 3.44Å
319V24.6Very low25.7Very low136 Ų136111 Ų11182%0.82477%0.766SS**PPolyproline II helixtrans-79126.6175.6-1800000109.5G317G317-V319 PolarHBondContact O-N 3.25Å
320P25.6Very low25.2Very low117 Ų117111.2 Ų111.276%0.7678%0.777SS**PPolyproline II helixtrans-73.3131.5174.930-33.6000110.7
321A23Very low25Very low107 Ų107110.1 Ų110.188%0.88479%0.786SS**PPolyproline II helixtrans-77.4133.2173.400000111
322A22.7Very low24.7Very low95 Ų95110.8 Ų110.879%0.78580%0.801SS**  trans-119.1141.2168.300000109.4
323P31.2Very low24.6Very low124 Ų124114.5 Ų114.581%0.80581%0.81SS**  trans-93.7143.8-170.435.1-34.8000113.7
324S21.8Very low24.7Very low121 Ų121112.8 Ų112.885%0.84682%0.815SS**  trans179.4147.513137.10000114.4
325A24Very low24.7Very low110 Ų110116.1 Ų116.191%0.90982%0.82SS**  trans24.6131.2152.400000122.4
326G23Very low24.8Very low78 Ų78113.3 Ų113.380%0.80482%0.818SS**  trans178.9109.416100000111.6
327S23Very low24.9Very low106 Ų106112.3 Ų112.374%0.74181%0.809SS**  trans-103.5132.4-168-54.20000114.1
328T22.3Very low25.1Very low133 Ų133114.1 Ų114.182%0.81681%0.812SS**  trans60.8165.114453.90000120.1
329P29.2Very low25.1Very low116 Ų116118.6 Ų118.675%0.75382%0.818SS**  cis-127167.9-29.833.9-18.5000113
330T23.3Very low25.1Very low147 Ų147115 Ų11590%0.90281%0.809SS**  trans-135.8137.715215.30000109.1
331A23.1Very low25.1Very low105 Ų105113.4 Ų113.487%0.86881%0.806SS**  trans-85.9149.2-177.700000111.8
332A27Very low25.2Very low102 Ų102117.7 Ų117.784%0.84381%0.807SS**  trans-134.6137.7156.700000107
333E24.5Very low25.2Very low203 Ų203116.5 Ų116.595%0.94981%0.805SS**  trans-82.5147.6-170.7-65.3167113.800111.6
334G27.6Very low25Very low79 Ų79118 Ų11881%0.81481%0.811SS**  trans-155.687.6178.900000110.2
335D22.9Very low25.1Very low160 Ų160116.8 Ų116.886%0.85681%0.809SS**  trans-76.2143.1172.5-157.8-16.2000109.9
336G26.8Very low25.2Very low72 Ų72116.7 Ų116.774%0.74281%0.808SS**  trans-17966.8-159.500000112.3
337T27.2Very low25.2Very low110 Ų110117.4 Ų117.468%0.67581%0.806SS**  trans-63.5136.2-170.952.40000115.6
338S28.4Very low26.5Very low104 Ų104117.4 Ų117.473%0.72780%0.804SS**  trans63.9148.5142.970.30000118.6
339D25.6Very low26.5Very low165 Ų165118.6 Ų118.688%0.88281%0.805SS**  cis-157.5177.40.8-143.7-53.3000109.6
340G25Very low26.4Very low61 Ų61116.3 Ų116.363%0.62980%0.803SS**  trans112.889.614900000119.9
341A25.1Very low26.5Very low84 Ų84114.1 Ų114.169%0.69480%0.799SS**  trans69.6122131.800000123.3
342Q25.6Very low27.7Very low196 Ų196114.1 Ų114.192%0.91679%0.791SS**  trans67.1133.4138.8-60.5169.82.900117.1
343G23.4Very low27.6Very low71 Ų71116 Ų11673%0.73279%0.787SS**  106.5122.350.300000107
344V26.7Very low27.6Very low154 Ų154113 Ų11393%0.93378%0.777SS**  -163.9158.971.7158.20000109.3
345A23.8Very low27.4Very low97 Ų97114.1 Ų114.180%0.80277%0.772SS**  trans-96.9155.6-179.500000114.2
346A25.3Very low27.3Very low108 Ų108115.2 Ų115.289%0.89377%0.772SS**  trans-158.3135.6154.500000112.7
347A23.8Very low27.2Very low93 Ų93117.7 Ų117.777%0.76977%0.772SS**  trans-152.7-178.5165.900000105.6
348P48.9Very low26.9Very low105 Ų105120.2 Ų120.268%0.68278%0.776SS**  cis-137.7-138.34.739.3-15.5000112.4
349D23.6Very low26.6Very low158 Ų158120.9 Ų120.985%0.84578%0.78SS**  trans73134.6166.8-59.7-49.9000119.8
350G26.2Very low26.5Very low69 Ų69116.4 Ų116.471%0.71177%0.774SS**  cis173.8123.1-10.600000117.4
351A26.8Very low26.3Very low100 Ų100122.4 Ų122.483%0.82679%0.785SS**  trans67.4-18014900000119.1
352P47.7Very low26.3Very low106 Ų106124.1 Ų124.169%0.68879%0.787SS**  -138.5-156.9-81.644.3-27.1000114.9
353D24.4Very low26.1Very low141 Ų141120.9 Ų120.975%0.75478%0.776SS**  trans74.2151.8159.8-77.3-38.4000119.7
354N25.5Very low26.3Very low139 Ų139122 Ų12274%0.74377%0.773SS**  cis-160.1-177.9-26-158.4-13.7000109.7
355C21.8Very low26.2Very low104 Ų104123.4 Ų123.470%0.70377%0.769SS**  trans-92.5-179.7-170.3-56.80000116.7
356Q22.6Very low26.2Very low183 Ų183123.6 Ų123.686%0.85577%0.765SS**  trans77.5151.8169.3-56.7174.2-16.400114.1
357V23.6Very low26.2Very low123 Ų123126 Ų12675%0.74576%0.758SS**  cis-137.8130.629.6169.90000108.5
358Q21.7Very low26.2Very low163 Ų163127.2 Ų127.276%0.76275%0.751SS**  83.2129.466.9-140.9-172.120.200115.4
359S22Very low25.1Very low118 Ų118130 Ų13083%0.82576%0.755SS**  trans65.7151161.8-520000119.2
360G22.5Very low25.1Very low72 Ų72126.5 Ų126.574%0.74275%0.748SS**  cis-176.2-172.7-0.900000114.3
361E22Very low24.9Very low186 Ų186131.5 Ų131.587%0.86976%0.759SS**  trans-43.2160.8176.6-66.4153.3115.800117
362T24.6Very low24.6Very low120 Ų120130.2 Ų130.274%0.73676%0.755SS**  cis-151.8-153.4-0.315.60000109.3
363D22.2Very low23.5Very low129 Ų129133.5 Ų133.569%0.6977%0.766SS**  cis-161.7168.910.3-138.1-59.8000115
364S26.9Very low23.4Very low95 Ų95134.7 Ų134.766%0.66477%0.767SS**  trans25.9121.1150.7-71.30000124.4
365Q24.8Very low23.2Very low182 Ų182135 Ų13585%0.8577%0.769SS**  -177.9117.3102.8-94.8177.31.900109.9
366S24.1Very low23.3Very low102 Ų102138.8 Ų138.871%0.71378%0.776SS**  72135.186.7-60.60000115.3
367Q25.5Very low23.2Very low159 Ų159134.2 Ų134.274%0.74377%0.765SS**  cis-171.2151.2-3.3-119.8-175.58.400111.6
368N23.7Very low23.1Very low117 Ų117135.5 Ų135.563%0.62677%0.767SS**  trans59.9159.5149.5-65.9-40.1000120
369Q25.5Very low23.2Very low163 Ų163132.5 Ų132.576%0.76277%0.77SS**  cis-158.1134.1-13.6-109.2163.43800106.5
370A22.7Very low23.5Very low85 Ų85132.5 Ų132.570%0.70277%0.767SS**  87.6131.17700000116.1
371N22.5Very low23.6Very low174 Ų174132.4 Ų132.493%0.9377%0.766SS**  trans63.2143.2177.7-59.5-18.2000117.7
372G20.9Very low23.8Very low73 Ų73130.3 Ų130.375%0.75377%0.766SS**  cis144.2116.8-9.300000113.3
373L24.2Very low23.7Very low175 Ų175131.8 Ų131.892%0.91677%0.768SS**  trans-159.9157.6171-111.8167.8000111.3
374Q22.4Very low23.8Very low166 Ų166134 Ų13478%0.77677%0.774SS**  trans-103.1170.1-170.1-72.6136.6-65.100114.7
375N21.7Very low23.7Very low146 Ų146137.4 Ų137.478%0.78178%0.779SS**  trans67.7108.3157.4-74.2-17.1000118.9
376Q22.3Very low23.7Very low184 Ų184134.5 Ų134.586%0.8677%0.774SS**  -170.2142.293.8-102.6165.339.200115.8
377S22Very low23.8Very low87 Ų87136.6 Ų136.661%0.60878%0.776SS**  trans-11.5138.215850.60000122.8
378D21.2Very low23.8Very low150 Ų150134.2 Ų134.280%0.80277%0.772SS**  51.4122.1127.5-58.9-79.6000123.1
379A24.1Very low23.9Very low99 Ų99130.8 Ų130.882%0.81876%0.764SS**  trans-163.493140.100000112.4
380P26.7Very low24.1Very low119 Ų119130.4 Ų130.477%0.77376%0.763SS**PPolyproline II helixtrans-75.4152.6165.231.6-33.4000111.7
381G25.5Very low24.3Very low69 Ų69132.6 Ų132.671%0.71177%0.767SS**PPolyproline II helixtrans-67.8155.5-176.400000115.2I383G381-I383 PolarHBondContact O-N 3.4Å
382T25.4Very low25.2Very low142 Ų142126.9 Ų126.987%0.87175%0.749SS**PPolyproline II helixtrans-57.7117.2-169-43.70000114.8
383I23.6Very low25.8Very low151 Ų151133.2 Ų133.277%0.77476%0.759SS**PPolyproline II helixtrans-91.5125.6164.1-62.4171.3000108.4G381G381-I383 PolarHBondContact O-N 3.4Å
384Q23.1Very low26Very low177 Ų177131.3 Ų131.383%0.82775%0.745SS**PPolyproline II helixtrans-84.1125.3163.9-75.8-161.44200109.8
385Q25.7Very low26.2Very low165 Ų165129.5 Ų129.577%0.77174%0.74SS**  trans-112.8114.6179.6-156.7175.324.500109.3
386V25.6Very low26.4Very low122 Ų122127.6 Ų127.674%0.73973%0.733SS**  trans-101.3108.9177.9-178.20000108.5V388V386-V388 HydrophobicContact CG1-CG2 4.12Å
387I25.4Very low26.6Very low146 Ų146126.3 Ų126.375%0.74973%0.727SS**  trans-93.7118.8177.8-57.1176.7000108.5
388V25.2Very low26.9Very low108 Ų108130 Ų13066%0.65574%0.735SS**  trans-117.1114.8173-176.40000108.6V386 L395V386-V388 HydrophobicContact CG1-CG2 4.12Å; V388-L395 HydrophobicContact CG1-CD1 4.37Å
389G25.8Very low27.1Very low46 Ų46128.4 Ų128.447%0.47473%0.725SS.*  trans-112.3133.6173.900000111.2
390Q29.9Very low27.1Very low155 Ų155131.7 Ų131.772%0.72472%0.724SS**BIsolated β-bridgetrans-99136.8162.8-85.2-173.9-2200109.7
391V26.7Very low27Very low131 Ų131133.4 Ų133.479%0.79473%0.725SS**  trans-13083.2167.3-175.10000107.1
392G42.3Very low26.9Very low53 Ų53139 Ų13955%0.54673%0.733SS.*SBendtrans69.5-158.9-16900000113.3Q394G392-Q394 PolarHBondContact O-N 3.08Å
393H33.7Very low26.8Very low207 Ų207137.3 Ų137.396%0.95873%0.727SS**SBendtrans-78.647.8-174.8-69.9-89.2000114.2
394Q27.5Very low26.9Very low135 Ų135136.1 Ų136.163%0.63173%0.729SS**  trans-134.8141.5162.5-70.8-163.928.900111G392G392-Q394 PolarHBondContact O-N 3.08Å
395L26.9Very low27Very low127 Ų127134.3 Ų134.367%0.66573%0.73SS**BIsolated β-bridgetrans-102108.6173.2-170.979.4000108.4V388V388-L395 HydrophobicContact CG1-CD1 4.37Å
396V26.8Very low27.2Very low107 Ų107135.3 Ų135.365%0.64873%0.734SS**  trans-95.6115.2175.5-178.30000108.8
397Q26.7Very low27.2Very low156 Ų156134.8 Ų134.873%0.72974%0.737SS**  trans-109.2102.6176.9-165.8-175.836.400110I399Q397-I399 HydrophobicContact CG-CD1 4.43Å; Q397-I399 HydrophobicContact CG-CG1 4.05Å
398Q27.1Very low27.2Very low166 Ų166137.2 Ų137.278%0.77675%0.745SS**  trans-98.296.5175.4-171.5171.53.600110.1Q400Q398-Q400 PolarHBondContact O-N 2.92Å
399I24.9Very low27.1Very low115 Ų115135.4 Ų135.459%0.5975%0.748SS**  trans-85.3109.4176-60.3175.1000108.8Q397 L401Q397-I399 HydrophobicContact CG-CD1 4.43Å; Q397-I399 HydrophobicContact CG-CG1 4.05Å; I399-L401 HydrophobicContact CG2-CD1 3.86Å; I399-L401 HydrophobicContact CG2-CG 3.76Å
400Q24.4Very low27Very low169 Ų169142.2 Ų142.279%0.7977%0.767SS**  trans-110.885.3173.4-163167.533.800110.4Q398 Q402Q398-Q400 PolarHBondContact O-N 2.92Å; Q400-Q402 PolarHBondContact O-N 2.85Å
401L24.1Very low26.6Very low155 Ų155140.3 Ų140.381%0.81277%0.767SS**  trans-75.5114.3176.6-75.2157.6000110.4I399I399-L401 HydrophobicContact CG2-CD1 3.86Å; I399-L401 HydrophobicContact CG2-CG 3.76Å
402Q23.6Very low26.5Very low185 Ų185142.7 Ų142.786%0.86477%0.769SS**PPolyproline II helixtrans-83.1129.9159.1-72.3-170.3-5.600109.4Q400Q400-Q402 PolarHBondContact O-N 2.85Å
403S23.3Very low25.6Very low108 Ų108146.4 Ų146.476%0.75578%0.776SS**PPolyproline II helixtrans-71.5134178.5-50.60000111.2V405S403-V405 PolarHBondContact O-N 3.38Å
404P26.9Very low25.2Very low125 Ų125144.8 Ų144.881%0.81277%0.769SS**PPolyproline II helixtrans-65.6132.4165.928.4-33.1000109.7Q406P404-Q406 PolarHBondContact O-N 3.45Å
405V24.7Very low25.1Very low140 Ų140147.6 Ų147.685%0.84878%0.782SS**PPolyproline II helixtrans-68.6122.1178.2175.30000109.6S403 S407S403-V405 PolarHBondContact O-N 3.38Å; V405-S407 PolarHBondContact O-N 3.31Å
406Q28.6Very low24.8Very low185 Ų185149.2 Ų149.286%0.86479%0.791SS**PPolyproline II helixtrans-73.3116.4172.2-76-171.9-32.400111.1P404 Q408P404-Q406 PolarHBondContact O-N 3.45Å; Q406-Q408 PolarHBondContact O-N 2.81Å; Q406-Q408 VanDerWaalsContact O-N 3.1Å
407S26.9Very low24.8Very low112 Ų112149.7 Ų149.778%0.78380%0.796SS**  trans-83.977.8171.157.40000111.7V405V405-S407 PolarHBondContact O-N 3.31Å
408Q25.5Very low24.7Very low196 Ų196150.8 Ų150.892%0.91680%0.801SS**  trans66128156.6-55.4179.21.900118.2Q406Q406-Q408 PolarHBondContact O-N 2.81Å; Q406-Q408 VanDerWaalsContact O-N 3.1Å
409G22.1Very low24.6Very low70 Ų70150.8 Ų150.872%0.72280%0.801SS**  cis176.3-168.6-3.900000114.7
410Q23.9Very low24.5Very low189 Ų189152.6 Ų152.688%0.88381%0.81SS**  trans69.3125.3-177.6-58.2-175.6-3.600115.2
411T23Very low24.4Very low116 Ų116152.4 Ų152.471%0.71281%0.809SS**  cis-164148.2-12.2-1.60000109.8
412Q23.4Very low24.4Very low180 Ų180151 Ų15184%0.84181%0.807SS**  trans66145.8158.5-72.5-176.911.700118.3
413N23.3Very low24.4Very low132 Ų132149.9 Ų149.971%0.70681%0.807SS**  cis-160.9163.8-16.6-162.52.8000110.8
414Q25.6Very low24.5Very low172 Ų172153.9 Ų153.980%0.80481%0.813SS**  trans70.7121166-61.2-179.9100.800119.7
415Q25.3Very low24.3Very low194 Ų194153.1 Ų153.191%0.90780%0.802SS**  trans-114.3154.2158-68.1172.1-97.800109.3
416L21.2Very low24.5Very low161 Ų161149.7 Ų149.784%0.84379%0.788SS**  trans-137.5143.4163.2-131.774.6000108.3
417P26.6Very low24.3Very low118 Ų118147.1 Ų147.177%0.76679%0.787SS**  trans-84.2153.5-170.433.7-34000112.6
418Q24.9Very low24.7Very low179 Ų179145.7 Ų145.784%0.83679%0.79SS**  trans-115.5123.1169.7-73-62.5-30.400110.1
419H23.9Very low24.8Very low166 Ų166143.3 Ų143.377%0.76978%0.779SS**  trans-97.2106-171.9-174.3-80.5000109.7
420I24Very low25Very low152 Ų152146 Ų14678%0.77978%0.782SS**  trans-86.2124.4-178.7-59.2175.7000109.5T422I420-T422 HydrophobicContact CG2-CG2 4.34Å
421Q22.5Very low25Very low166 Ų166143.7 Ų143.778%0.77678%0.775SS**  trans-122.1114.7174-167.4163.419.100109.8
422T23.9Very low25.1Very low125 Ų125146.2 Ų146.277%0.76778%0.779SS**  trans-90.6127.6-175.2490000112.2I420I420-T422 HydrophobicContact CG2-CG2 4.34Å
423L22.5Very low25.1Very low162 Ų162143.2 Ų143.285%0.84877%0.774SS**  trans-99.2145.4162.2-113.273.2000110
424Q25.8Very low25Very low192 Ų192145 Ų14590%0.89778%0.782SS**  trans-122.9129.3-172.3-165.4172.17.400110
425L24Very low25Very low108 Ų108145.4 Ų145.457%0.56578%0.784SS**  trans-134.4142.9-174.8-76.1165.2000111L431L425-L431 HydrophobicContact CD1-CD1 3.91Å; L425-L431 HydrophobicContact CD1-CD2 4.24Å; L425-L431 HydrophobicContact CD1-CG 4.3Å
426A27.3Very low25Very low68 Ų68140.5 Ų140.556%0.56278%0.777SS**  trans-93.9159.5-17700000112.6G428A426-G428 PolarHBondContact O-N 3.09Å
427P26Very low25.2Very low131 Ų131143 Ų14385%0.85178%0.781SS**THydrogen-bonded Turntrans-59.4135.6179.7-22.834.1000112.8
428G33.8Very low25.3Very low82 Ų82146.6 Ų146.685%0.84579%0.788SS**THydrogen-bonded Turntrans99.8-7.9173.600000116.4A426A426-G428 PolarHBondContact O-N 3.09Å
429Q27.1Very low25.5Very low147 Ų147143.9 Ų143.969%0.68778%0.779SS**  trans-81.3128.6175.2-75.4-70.6-100112.7
430T26.3Very low25.7Very low127 Ų127142.7 Ų142.778%0.77979%0.786SS**  trans-99.9114.51698.10000110.1Q432T430-Q432 PolarHBondContact O-N 2.68Å
431L24.7Very low26.1Very low139 Ų139139.2 Ų139.273%0.72878%0.78SS**  trans-69.5122.5173.4-68.4173.4000110.7L425L425-L431 HydrophobicContact CD1-CD1 3.91Å; L425-L431 HydrophobicContact CD1-CD2 4.24Å; L425-L431 HydrophobicContact CD1-CG 4.3Å
432Q24.9Very low26.4Very low170 Ų170139.8 Ų139.879%0.79478%0.783SS**  trans-70.8145.3163.4-74.6-76.7-10.400109.7T430 I434T430-Q432 PolarHBondContact O-N 2.68Å; Q432-I434 PolarHBondContact O-N 2.83Å
433P23Very low26.7Very low116 Ų116140.3 Ų140.375%0.75379%0.786SS**  trans-75.8108.8-174.629.9-33.7000112
434I22Very low26.8Very low169 Ų169140.9 Ų140.987%0.86779%0.788SS**  trans-92.5147.5163.7-62.3179.2000108.6Q432Q432-I434 PolarHBondContact O-N 2.83Å
435Q24.8Very low26.9Very low181 Ų181138.3 Ų138.385%0.84678%0.78SS**  trans-76.9148.3-154.5-63.6168.1-64.200115.5
436A26Very low27.2Very low91 Ų91142.1 Ų142.175%0.75279%0.786SS**  trans55.791.5150.200000119
437F25.3Very low27.3Very low213 Ų213142.7 Ų142.793%0.93479%0.791SS**  trans-101.5126.8143.9-85.6-90.3000109.6N439F437-N439 PolarHBondContact O-N 3.33Å
438Q29.3Very low27.6Very low195 Ų195139.4 Ų139.491%0.91177%0.77SS**  trans-83.490.3-177.8-65-171.220.500111.4
439N28Very low27.5Very low122 Ų122139.5 Ų139.565%0.65275%0.754SS**  trans-155.4111.6162.6-149-29.2000111.7F437 A441F437-N439 PolarHBondContact O-N 3.33Å; N439-A441 PolarHBondContact O-N 3.15Å; N439-A441 VanDerWaalsContact O-N 3.15Å
440P28.5Very low27.6Very low140 Ų140138.4 Ų138.491%0.90975%0.752SS**  trans-83.518.4-168.635-37.8000114.9
441A31.8Very low28.1Very low80 Ų80134.3 Ų134.366%0.66173%0.728SS**  trans-127.930.9-161.600000115.4N439N439-A441 PolarHBondContact O-N 3.15Å; N439-A441 VanDerWaalsContact O-N 3.15Å
442Q30.5Very low28.3Very low178 Ų178134.3 Ų134.383%0.83274%0.74SS**  trans-131.8125.4174-66.9-169.8-1.900112.5
443V28.6Very low28.5Very low136 Ų136131 Ų13182%0.82474%0.736SS**  trans-94115.4172.7178.20000108.6I445V443-I445 HydrophobicContact CG1-CG1 4.3Å; V443-I445 PolarHBondContact O-N 2.83Å
444L25.3Very low28.9Very low173 Ų173128.1 Ų128.191%0.90673%0.727SS**  trans-84.899.1-178.9-167.877.1000111
445I28Very low29.1Very low139 Ų139126.6 Ų126.671%0.71372%0.716SS**PPolyproline II helixtrans-90.9121.1168.6-55.9-179.9000108.5V443V443-I445 HydrophobicContact CG1-CG1 4.3Å; V443-I445 PolarHBondContact O-N 2.83Å
446R31Very low29.3Very low188 Ų188122.9 Ų122.971%0.70970%0.701SS**PPolyproline II helixtrans-75.7135.6176.6-165.4178.2-175.3-148.81.1109.8
447A27.8Very low29.4Very low79 Ų79122.2 Ų122.265%0.65369%0.688SS**PPolyproline II helixtrans-59.7143.2178.900000111.8
448P32.3Very low29.9Very low63 Ų63120.6 Ų120.641%0.40968%0.676SS.*PPolyproline II helixtrans-66.5139.1179.827.2-34.5000111.5I456 W458P448-I456 HydrophobicContact CB-CG2 3.88Å; P448-W458 HydrophobicContact CB-CD2 4.38Å; P448-W458 HydrophobicContact CB-CE3 4.06Å; P448-W458 HydrophobicContact CB-CH2 3.92Å; P448-W458 HydrophobicContact CB-CZ2 4.23Å; P448-W458 HydrophobicContact CB-CZ3 3.83Å; P448-W458 HydrophobicContact CG-CH2 3.78Å; P448-W458 HydrophobicContact CG-CZ2 4.38Å; P448-W458 HydrophobicContact CG-CZ3 3.94Å
449T33.2Very low29.9Very low84 Ų84119.2 Ų119.252%0.51567%0.669SS.*EExtended strand (participates in β ladder)trans-94.9121.4175.246.90000110.6
450L28.6Very low29.9Very low124 Ų124120 Ų12065%0.64968%0.679SS**EExtended strand (participates in β ladder)trans-77.9130.3170.7-165.775.5000109.5I456L450-I456 HydrophobicContact CD1-CG1 3.69Å
451S35.8Very low29.7Very low40 Ų40120.8 Ų120.828%0.2867%0.674SS.*PPolyproline II helixtrans-74.7159.2169.871.40000111.3S453 G454 Q455S451-S453 PolarHBondContact O-N 3.24Å; S451-S453 VanDerWaalsContact O-N 3.11Å; S451-S453 PolarHBondContact OG-N 2.71Å; S451-S453 PolarHBondContact OG-OG 3Å; S451-G454 PolarHBondContact O-N 2.89Å; S451-G454 PolarHBondContact OG-N 2.86Å; S451-Q455 PolarHBondContact N-O 3.48Å; S451-Q455 PolarHBondContact OG-N 2.98Å; S451-Q455 PolarHBondContact OG-O 2.87Å
452S30.3Very low29.3Very low140 Ų140125.9 Ų125.998%0.97968%0.684SS**THydrogen-bonded Turntrans-63.9-9.3168.449.20000113.8
453S29.3Very low29Very low101 Ų101124.2 Ų124.271%0.70668%0.68SS**THydrogen-bonded Turntrans-96.87.2170.856.10000114S451 Q455S451-S453 PolarHBondContact O-N 3.24Å; S451-S453 VanDerWaalsContact O-N 3.11Å; S451-S453 PolarHBondContact OG-N 2.71Å; S451-S453 PolarHBondContact OG-OG 3Å; S453-Q455 PolarHBondContact O-N 2.9Å
454G31.3Very low28.8Very low54 Ų54123.7 Ų123.756%0.55768%0.68SS**SBendtrans78.710.6174.600000115.8S451S451-G454 PolarHBondContact O-N 2.89Å; S451-G454 PolarHBondContact OG-N 2.86Å
455Q24.8Very low28.9Very low137 Ų137119.5 Ų119.564%0.6468%0.678SS**  trans-89.3142.6173-71.6-137.5-38.600111.9S451 S453S451-Q455 PolarHBondContact N-O 3.48Å; S451-Q455 PolarHBondContact OG-N 2.98Å; S451-Q455 PolarHBondContact OG-O 2.87Å; S453-Q455 PolarHBondContact O-N 2.9Å
456I30.5Very low29.2Very low104 Ų104116.6 Ų116.653%0.53368%0.683SS.*EExtended strand (participates in β ladder)trans-98.3120.3174.8-61.9172.7000107.9P448 L450 W458P448-I456 HydrophobicContact CB-CG2 3.88Å; L450-I456 HydrophobicContact CD1-CG1 3.69Å; I456-W458 HydrophobicContact CG2-CZ2 4.29Å
457T27.8Very low28.9Very low76 Ų76114 Ų11447%0.46669%0.688SS.*EExtended strand (participates in β ladder)trans-113.8142.9175.855.60000111.6
458W35.2Very low28.9Very low180 Ų180116 Ų11668%0.68270%0.696SS**  trans-114.3129177.3-56.693.9000108.9P448 I456P448-W458 HydrophobicContact CB-CD2 4.38Å; P448-W458 HydrophobicContact CB-CE3 4.06Å; P448-W458 HydrophobicContact CB-CH2 3.92Å; P448-W458 HydrophobicContact CB-CZ2 4.23Å; P448-W458 HydrophobicContact CB-CZ3 3.83Å; P448-W458 HydrophobicContact CG-CH2 3.78Å; P448-W458 HydrophobicContact CG-CZ2 4.38Å; P448-W458 HydrophobicContact CG-CZ3 3.94Å; I456-W458 HydrophobicContact CG2-CZ2 4.29Å
459Q30.5Very low28.6Very low166 Ų166121.1 Ų121.178%0.77672%0.719SS**  trans-98.5112.9171.6-78.5-173.7-32.900110L461Q459-L461 PolarHBondContact O-N 3.43Å
460T27.1Very low28.5Very low139 Ų139126.7 Ų126.785%0.85374%0.74SS**PPolyproline II helixtrans-75.9118.7173.7-42.10000109.9
461L23.4Very low28.3Very low155 Ų155124.4 Ų124.481%0.81275%0.746SS**PPolyproline II helixtrans-89.5125.5171.5-159.681.6000109.6Q459Q459-L461 PolarHBondContact O-N 3.43Å
462Q24.9Very low28Very low187 Ų187126.1 Ų126.187%0.87477%0.77SS**PPolyproline II helixtrans-95.3118.1-178.8-169.2171.2-3.700110.2
463L24.5Very low27.8Very low143 Ų143127.9 Ų127.975%0.74977%0.768SS**PPolyproline II helixtrans-87.4138.2-178-73.1168.2000111.9
464P24.1Very low28.1Very low125 Ų125127.4 Ų127.481%0.81278%0.779SS**PPolyproline II helixtrans-66.9142.5165-12.427.7000110.3
465G26.6Very low27.8Very low85 Ų85129.4 Ų129.488%0.87679%0.79SS**PPolyproline II helixtrans-86.5163.9-173.400000115.2
466G35.2Very low28Very low78 Ų78127.8 Ų127.880%0.80480%0.8SS**  trans113.276.5159.900000116.5
467V24.1Very low27.8Very low135 Ų135128.4 Ų128.482%0.81881%0.808SS**  trans-137.2124.8157.9-176.10000109.1
468S28.3Very low27.8Very low119 Ų119130.3 Ų130.383%0.83282%0.822SS**  trans-103.3130.8171.8-61.60000109.5
469L25.7Very low27.5Very low171 Ų171130 Ų13090%0.89583%0.828SS**  trans-108108.8172.4-70.5176.6000110
470Q30.3Very low27.3Very low201 Ų201128.4 Ų128.494%0.93982%0.821SS**  trans-120.596.1175-175.6175.1-0.700108.6
471G24.8Very low27.3Very low76 Ų76128 Ų12878%0.78481%0.813SS**  trans-170.1137.1-17900000109.8
472G29.2Very low27.5Very low77 Ų77124.6 Ų124.679%0.79480%0.799SS**  trans-91.3-171.9-171.900000115
473L25.8Very low27.6Very low177 Ų177121.7 Ų121.793%0.92779%0.788SS**SBendtrans76.873.2175-52.1179.7000116.6
474G35.8Very low27.6Very low90 Ų90118.8 Ų118.893%0.92879%0.785SS**  trans48.979.113500000119.1
475A26Very low27.7Very low97 Ų97117.8 Ų117.880%0.80278%0.778SS**  trans-123.4147.4160.300000110.1V477A475-V477 PolarHBondContact O-N 2.69Å
476A28.9Very low27.7Very low103 Ų103120.7 Ų120.785%0.85178%0.779SS**  trans-73125.9-172.600000112.5
477V26.3Very low27.6Very low116 Ų116120.8 Ų120.870%0.70377%0.772SS**  trans-82.7123.7170.6179.50000109A475 Q479A475-V477 PolarHBondContact O-N 2.69Å; V477-Q479 PolarHBondContact O-N 2.97Å; V477-Q479 VanDerWaalsContact O-N 3.14Å
478P27.2Very low28Very low116 Ų116118.4 Ų118.475%0.75378%0.775SS**  trans-71.6106.5174.528.6-32.9000110.2Q480P478-Q480 PolarHBondContact O-N 2.86Å; P478-Q480 VanDerWaalsContact O-N 3.14Å
479Q28.5Very low28Very low175 Ų175116 Ų11682%0.81877%0.769SS**  trans-80.419.1-175.3-63.4-172.3-9.700114.5V477V477-Q479 PolarHBondContact O-N 2.97Å; V477-Q479 VanDerWaalsContact O-N 3.14Å
480Q27Very low28.2Very low132 Ų132114.6 Ų114.662%0.61777%0.768SS**  trans-146.5120-171.9-159.8170.719.900112.1P478P478-Q480 PolarHBondContact O-N 2.86Å; P478-Q480 VanDerWaalsContact O-N 3.14Å
481L26.8Very low28.1Very low131 Ų131109.9 Ų109.969%0.68676%0.763SS**  trans-102.799.4172.1-16881.7000109.2
482T28.4Very low28.2Very low83 Ų83113.8 Ų113.851%0.50977%0.765SS.*  trans-91111.8-179-55.50000110.7
483L26.1Very low28.1Very low125 Ų125113.1 Ų113.165%0.65476%0.758SS**  trans-95.8110.5171.5-66.4174.2000109.6
484A24.9Very low28.3Very low83 Ų83111 Ų11169%0.68676%0.758SS**  trans-92.5125.1175.800000110.7V486A484-V486 PolarHBondContact O-N 3.09Å
485P26.2Very low28.3Very low103 Ų103110.5 Ų110.567%0.66975%0.754SS**  trans-74125171.829.8-32.3000110.3A487P485-A487 PolarHBondContact O-N 2.82Å
486V26Very low28.3Very low147 Ų147109 Ų10989%0.89175%0.748SS**  trans-76.790.8173.5-178.50000109A484 G488A484-V486 PolarHBondContact O-N 3.09Å; V486-G488 PolarHBondContact O-N 3.06Å
487A32.3Very low28.2Very low80 Ų80110.3 Ų110.366%0.66174%0.74SS**  trans-75.682.9-179.700000111.9P485 G489P485-A487 PolarHBondContact O-N 2.82Å; A487-G489 PolarHBondContact O-N 2.78Å; A487-G489 VanDerWaalsContact O-N 3.11Å
488G32.4Very low28.3Very low85 Ų85110 Ų11088%0.87674%0.738SS**  trans-78.976170.100000112.3V486V486-G488 PolarHBondContact O-N 3.06Å
489G29.3Very low28.3Very low68 Ų68109.6 Ų109.670%0.70174%0.738SS**  trans-168.3129.7176.200000113.2A487A487-G489 PolarHBondContact O-N 2.78Å; A487-G489 VanDerWaalsContact O-N 3.11Å
490T30.4Very low28.4Very low142 Ų142108.6 Ų108.687%0.87174%0.737SS**PPolyproline II helixtrans-83.6140.1177.640.90000111.6
491A26.8Very low28.4Very low102 Ų102108 Ų10884%0.84375%0.747SS**PPolyproline II helixtrans-84131.9173.100000110.7
492L28.8Very low28.5Very low157 Ų157105 Ų10582%0.82275%0.748SS**PPolyproline II helixtrans-97.3152.1166.6-82.5164.7000110.4
493G26.3Very low28.5Very low64 Ų64107.1 Ų107.166%0.6676%0.761SS**SBendtrans-65.2158.2-172.800000114.7
494S30.3Very low28.6Very low131 Ų131104.8 Ų104.892%0.91675%0.753SS**SBendtrans55.286.8172.850.40000116.9
495G34.9Very low28.8Very low81 Ų81107.2 Ų107.284%0.83575%0.754SS**  trans96.64.8150.500000118.5L497G495-L497 PolarHBondContact O-N 2.59Å
496G26.1Very low28.8Very low66 Ų66108 Ų10868%0.6876%0.757SS**  trans-71.2112.9-179.800000114.5
497L27Very low29Very low130 Ų130108 Ų10868%0.68175%0.751SS**  trans-83123.6164.6-72.4171.9000110.3G495 Q532G495-L497 PolarHBondContact O-N 2.59Å; L497-Q532 HydrophobicContact CD2-CB 4.16Å; L497-Q532 HydrophobicContact CD2-CG 4.2Å
498V29.1Very low28.7Very low109 Ų109109.2 Ų109.266%0.66176%0.755SS**  trans-87.9115.8173.6-179.50000109.6
499S27.6Very low28.8Very low108 Ų108108.1 Ų108.176%0.75574%0.738SS**  trans-99.7118.8176.3-1720000111
500L29.5Very low28.9Very low154 Ų154108.5 Ų108.581%0.80673%0.734SS**  trans-95.388.4175.5-68.6173.4000110.2G502L500-G502 PolarHBondContact O-N 3.25Å
501S26.8Very low29Very low119 Ų119111.1 Ų111.183%0.83274%0.737SS**  trans-86.2100.2172.757.90000111
502G29.7Very low29.3Very low67 Ų67112.4 Ų112.469%0.69173%0.728SS**  trans-141158.8176.900000112.1L500L500-G502 PolarHBondContact O-N 3.25Å
503T27.4Very low29.3Very low128 Ų128111 Ų11179%0.78572%0.722SS**  trans-66.7153.3-178.340.30000112.8
504P28.6Very low29.6Very low76 Ų76114.4 Ų114.449%0.49473%0.732SS.*  trans-63.8139.1179.526.7-35.1000111.9T506P504-T506 PolarHBondContact O-N 3.35Å
505L28.5Very low29.8Very low135 Ų135112 Ų11271%0.70773%0.727SS**  trans-80.498.4179.1-70.3169.9000111L507L505-L507 PolarHBondContact O-N 3.45Å
506T27.6Very low29.7Very low118 Ų118111.5 Ų111.572%0.72471%0.711SS**  trans-81.2104.9176.6-18.30000111.4P504P504-T506 PolarHBondContact O-N 3.35Å
507L28.9Very low30.1Very low147 Ų147111.7 Ų111.777%0.7771%0.713SS**  trans-89.9105.9168.7-69.6174.3000109.6L505L505-L507 PolarHBondContact O-N 3.45Å
508S26.9Very low30.2Very low107 Ų107111 Ų11175%0.74871%0.714SS**  trans-81116.8177.2-168.60000110.7A510S508-A510 PolarHBondContact O-N 3.1Å
509A34.8Very low30.5Very low62 Ų62114.3 Ų114.351%0.51272%0.722SS.*  trans-80.361-173.800000113.2
510A30.9Very low30.6Very low76 Ų76113.5 Ų113.563%0.62871%0.713SS**  trans-101.4136.4165.700000109.9S508S508-A510 PolarHBondContact O-N 3.1Å
511Q33.2Very low30.5Very low197 Ų197111.7 Ų111.792%0.92171%0.708SS**SBendtrans71.532.1177.4-51.6-175-20.100117.7
512I32Very low30.6Very low128 Ų128108.3 Ų108.366%0.65669%0.685SS**  trans-91.7119.8155.7-58.1179.7000108.4
513N30.4Very low30.5Very low129 Ų129112.4 Ų112.469%0.6969%0.689SS**  trans-76.9134.8179-131.7-16.4000109.3G515 S516N513-G515 PolarHBondContact O-N 3.33Å; N513-S516 PolarHBondContact O-N 3.28Å; N513-S516 PolarHBondContact O-OG 2.84Å
514P31.1Very low30.4Very low134 Ų134109.9 Ų109.987%0.8768%0.681SS**THydrogen-bonded Turntrans-77.537.6-168.733-37.3000114.5
515G35.1Very low30.3Very low80 Ų80109.6 Ų109.683%0.82569%0.692SS**THydrogen-bonded Turntrans-142.6-6.117900000115.4N513N513-G515 PolarHBondContact O-N 3.33Å
516S32.9Very low30.2Very low72 Ų72110.2 Ų110.250%0.50370%0.695SS.*SBendtrans-99.4104.2176.255.10000111.2N513 V518N513-S516 PolarHBondContact O-N 3.28Å; N513-S516 PolarHBondContact O-OG 2.84Å; S516-V518 PolarHBondContact O-N 3.49Å
517G33.6Very low30.3Very low70 Ų70108 Ų10872%0.72270%0.695SS**  trans-71.778.7-17500000115.2Q519G517-Q519 PolarHBondContact O-N 3.32Å
518V30.6Very low30.5Very low115 Ų115108.5 Ų108.570%0.69771%0.705SS**  trans-76.798.6165.6-177.90000108.5S516S516-V518 PolarHBondContact O-N 3.49Å
519Q35.5Very low30.6Very low178 Ų178107.1 Ų107.183%0.83270%0.7SS**  trans-95.5-19-173.3-64.6-161.7400115.2G517G517-Q519 PolarHBondContact O-N 3.32Å
520T28.3Very low30.4Very low91 Ų91107.7 Ų107.756%0.55871%0.712SS**  trans-146.5140-177.733.10000113
521V28.6Very low30.4Very low117 Ų117108.3 Ų108.371%0.70971%0.708SS**  trans-118.5129.4161.9178.30000106.6
522S27.6Very low30.2Very low48 Ų48105.5 Ų105.534%0.33670%0.695SS.*  trans-131.5129-173-57.50000111.2
523I28.1Very low30.1Very low153 Ų153105.4 Ų105.479%0.78570%0.7SS**  trans-98.2124.9171.5-56.2173.6000107.3
524A25.3Very low29.9Very low74 Ų74107.8 Ų107.861%0.61271%0.707SS**  trans-116.4107.3-16900000113.2
525G26.3Very low29.9Very low70 Ų70104.8 Ų104.872%0.72270%0.7SS**  trans86132.3147.500000119.1
526L27.2Very low29.6Very low149 Ų149105.1 Ų105.178%0.7869%0.686SS**  trans-137.6157.2131.6-87-175.6000108.7
527G29.3Very low29.2Very low70 Ų70105.9 Ų105.972%0.72269%0.689SS**  trans-75.9-172.4-174.700000115.1A529G527-A529 PolarHBondContact O-N 3.18Å
528T33.1Very low29Very low158 Ų158109.4 Ų109.497%0.96969%0.69SS**SBendtrans-71.475.5-169.250.50000114.8
529A28.4Very low28.8Very low78 Ų78108 Ų10865%0.64568%0.683SS**SBendtrans-158.4106.7160.900000113.4G527 V531G527-A529 PolarHBondContact O-N 3.18Å; A529-V531 VanDerWaalsContact C-N 3.35Å; A529-V531 PolarHBondContact O-N 3.46Å
530G31.6Very low28.6Very low75 Ų75106.9 Ų106.977%0.77368%0.68SS**  trans65.1-2.7145.600000122.1
531V29.9Very low28.5Very low89 Ų89107.3 Ų107.354%0.53968%0.683SS.*  trans-79.6125.3-175-176.50000112.9A529 V533A529-V531 VanDerWaalsContact C-N 3.35Å; A529-V531 PolarHBondContact O-N 3.46Å; V531-V533 HydrophobicContact CG1-CG2 3.96Å
532Q28.4Very low28.5Very low138 Ų138104.1 Ų104.165%0.64567%0.674SS**  trans-108.2109.9168.8-78.5-85.2-27.500109.7L497L497-Q532 HydrophobicContact CD2-CB 4.16Å; L497-Q532 HydrophobicContact CD2-CG 4.2Å
533V30.4Very low28.5Very low126 Ų126110.1 Ų110.176%0.76470%0.701SS**  trans-93.6107174.3-177.10000109.3V531V531-V533 HydrophobicContact CG1-CG2 3.96Å
534Q27.2Very low28.6Very low179 Ų179112.8 Ų112.884%0.83671%0.711SS**  trans-108.7102.9-175.8-168171.1107.400112.3
535G30.5Very low28.7Very low70 Ų70112.4 Ų112.472%0.72271%0.713SS**  trans70.469.6151.600000118.5
536V28.6Very low28.7Very low87 Ų87117.7 Ų117.753%0.52772%0.719SS.*  trans-94115.2154.9-178.60000108.5L538V536-L538 PolarHBondContact O-N 2.97Å
537P24.3Very low28.7Very low88 Ų88115.9 Ų115.957%0.57172%0.717SS**  trans-74.8125.1176.629.4-32.8000111T539P537-T539 PolarHBondContact O-N 3.13Å
538L28.9Very low28.8Very low144 Ų144121.6 Ų121.675%0.75472%0.724SS**  trans-86.9103.3171.1-70.2172.9000109.8V536V536-L538 PolarHBondContact O-N 2.97Å
539T27.3Very low28.6Very low87 Ų87119.4 Ų119.453%0.53472%0.715SS.*  trans-97.1108.2176.6-49.60000110.1P537P537-T539 PolarHBondContact O-N 3.13Å
540I30.9Very low29Very low153 Ų153125 Ų12579%0.78573%0.728SS**  trans-95.8113.7173.5-57174.9000108.3
541T26.5Very low28.7Very low101 Ų101129.3 Ų129.362%0.6273%0.734SS**  trans-122.6111.4-177.5-33.50000110.1
542G28.3Very low28.5Very low50 Ų50129.6 Ų129.652%0.51575%0.745SS.*  trans139.975.1173.800000115.2
543L28.7Very low28.4Very low173 Ų173129.8 Ų129.891%0.90676%0.756SS**  trans-134.276.1163.3-75.1177.8000109.9
544Q28.9Very low28Very low210 Ų210132.1 Ų132.198%0.98176%0.755SS**  trans-92.192163.7-74.4-169.8-5.200109
545G28.5Very low27.9Very low65 Ų65129.7 Ų129.767%0.6775%0.753SS**  trans-174.3110.3177.100000109.8P547G545-P547 WeakPolarHBondContact O-CD 3.37Å
546Q26.6Very low27.5Very low182 Ų182133 Ų13385%0.8575%0.75SS**  trans-89112.6-175.2178.5179.6-18.800110.4
547P27Very low27.3Very low111 Ų111134.3 Ų134.372%0.72176%0.759SS**  trans-91.2122.6179.22.318.3000110.8G545 S549G545-P547 WeakPolarHBondContact O-CD 3.37Å; P547-S549 PolarHBondContact O-N 3.25Å
548Q31.4Very low27.2Very low189 Ų189135.1 Ų135.188%0.88377%0.767SS**  trans-87.888.6165.1-76.1-174.2-94.900110.9
549S28.2Very low27.1Very low112 Ų112133.7 Ų133.778%0.78377%0.767SS**SBendtrans-172.2158.4153.341.70000110.6P547P547-S549 PolarHBondContact O-N 3.25Å
550Q36.1Very low27Very low196 Ų196136 Ų13692%0.91678%0.781SS**  trans-99.993.4-173.9-68177-900111
551D26.7Very low26.6Very low165 Ų165134.4 Ų134.488%0.88278%0.778SS**  trans-150.9132.2156.5-112.3-41.9000110.4
552A25.9Very low26.4Very low95 Ų95135.5 Ų135.579%0.78578%0.784SS**  trans-103.2109.1-164.200000112.8K554A552-K554 PolarHBondContact O-N 2.72Å
553V25.2Very low26.1Very low142 Ų142139 Ų13986%0.86180%0.796SS**  trans-64.5116174.1179.90000110.3
554K22.8Very low25.8Very low175 Ų175137.1 Ų137.176%0.76179%0.791SS**  trans-104.798.6-172.8-173.2179.1-177.3177.50111.7A552A552-K554 PolarHBondContact O-N 2.72Å
555V25Very low25.5Very low129 Ų129130.3 Ų130.378%0.78278%0.777SS**  trans-79128175.7-176.90000110.4
556Q21.3Very low25.3Very low140 Ų140132.9 Ų132.965%0.65479%0.785SS**  trans-127.6108.3179.5-80.7-85.243.300110.2S558Q556-S558 PolarHBondContact O-N 3.26Å
557P25Very low25.3Very low113 Ų113131.5 Ų131.573%0.73479%0.789SS**  trans-85.4102.9172.432-30.5000110.9
558S22.5Very low25.3Very low105 Ų105131 Ų13173%0.73479%0.794SS**  trans-85.9123.1173.8-61.90000111.2Q556Q556-S558 PolarHBondContact O-N 3.26Å
559P25.8Very low25.1Very low115 Ų115128.3 Ų128.375%0.74780%0.796SS**  trans-75134.6170.830.6-32.8000110.7T561P559-T561 PolarHBondContact O-N 2.82Å
560V25.3Very low25Very low136 Ų136126.1 Ų126.182%0.82479%0.791SS**  trans-83.4113.7173.5177.60000109.3
561T21.9Very low24.5Very low119 Ų119123.3 Ų123.373%0.7379%0.793SS**  trans-80.2123.2173-57.30000110.3P559P559-T561 PolarHBondContact O-N 2.82Å
562V23.5Very low24.5Very low123 Ų123120.8 Ų120.875%0.74579%0.789SS**  trans-94.4107.6170.2179.70000109.1
563T21.4Very low24.5Very low124 Ų124123.1 Ų123.176%0.76179%0.793SS**  trans-87.9124.6174.3-520000109.8
564V23.5Very low24.6Very low133 Ų133121.5 Ų121.581%0.80679%0.788SS**  trans-104.9129.2169.7-1790000108.7
565G22.5Very low25.2Very low67 Ų67119.1 Ų119.169%0.69179%0.79SS**  trans-89.4124.3-171.700000114.6
566S24.6Very low25.2Very low120 Ų120119.5 Ų119.584%0.83979%0.788SS**  trans25126.3147.5-51.80000121.4
567V25.4Very low25.6Very low153 Ų153120.1 Ų120.193%0.92779%0.791SS**  trans-106.9152.3136.4-70.40000109
568A26.8Very low25.6Very low101 Ų101122.2 Ų122.284%0.83580%0.795SS**  trans-103130.7-159.500000115.4
569S28.7Very low25.8Very low132 Ų132120.9 Ų120.992%0.92380%0.798SS**  trans-178144.3153.5-77.90000107.2
570G24.3Very low26Very low66 Ų66120.3 Ų120.368%0.6880%0.796SS**  cis151.9127.7-1.200000109.6
571S26.6Very low26.2Very low137 Ų137120.8 Ų120.896%0.95880%0.799SS**  trans87.8154.3-177.6-41.90000117.4
572S25.7Very low26.4Very low112 Ų112123.3 Ų123.378%0.78380%0.803SS**  trans-116.3167.2-169.153.30000112.7
573V27.2Very low26.7Very low144 Ų144123.2 Ų123.287%0.87381%0.808SS**  trans-162.7146.8137.2144.70000108.2
574S26Very low27Very low108 Ų108122.9 Ų122.976%0.75581%0.81SS**  trans-90.2157.6179.2-58.60000112.9
575P35.9Very low27.3Very low125 Ų125121.6 Ų121.681%0.81281%0.807SS**  trans-87145.2173.735.2-33.5000112.3
576D25.9Very low27.7Very low137 Ų137124.8 Ų124.873%0.73381%0.808SS**  trans-156.1153.3168.1-139.7-34.3000113.4
577Q29.5Very low28.1Very low152 Ų152127.5 Ų127.571%0.7181%0.808SS**  trans44.2116.6159.8-81.9157.680.100120.4
578L25.6Very low28.3Very low157 Ų157130.1 Ų130.182%0.82281%0.81SS**  102.9133.264.8-97.3-171.4000111.1
579G26.8Very low28.5Very low77 Ų77128.5 Ų128.579%0.79480%0.803SS**  trans178.563.7-174.700000113.1
580S29.6Very low29Very low103 Ų103128.1 Ų128.172%0.7280%0.797SS**  trans-79.9136-173.4-530000113.7
581V28.8Very low29.8Very low146 Ų146131 Ų13189%0.88580%0.804SS**  trans-136.8137.6152.5-175.60000108.1
582Q27Very low30.1Very low172 Ų172129.6 Ų129.680%0.80479%0.794SS**  trans-109165.3-177.4-67.1179.1-86.600112.8
583S28.6Very low30.6Very low122 Ų122133.8 Ų133.885%0.85380%0.798SS**  trans83.8148.2159.9-54.80000116.9
584S29.1Very low30.9Very low116 Ų116138.9 Ų138.981%0.81180%0.802SS**  cis-131.9169.510.358.80000114.4
585S29.3Very low31.6Very low106 Ų106141.3 Ų141.374%0.74181%0.806SS**  trans-62.7155.2175.2-43.40000113.9
586D30.7Very low31.4Very low134 Ų134146.3 Ų146.372%0.71781%0.808SS**  -166.2132110.5-115.1-38.2000114.9
587Q32.2Very low31.7Very low178 Ų178150.3 Ų150.383%0.83281%0.813SS**  trans44155.2152.8-71.4166.567.600124.1
588E30.9Very low31.9Very low208 Ų208148.8 Ų148.897%0.97281%0.814SS**  trans-96.7152.1-169.1-61.4-166.198.700115.3
589G29.4Very low32.2Very low66 Ų66145.3 Ų145.368%0.6881%0.808SS**  trans-162.6149.7170.700000111.4
590P39.3Very low32.4Very low124 Ų124146.3 Ų146.381%0.80580%0.801SS**  trans-71.7151.1-160.226.1-34.9000115.1
591P41.3Very low33Very low126 Ų126147.1 Ų147.182%0.81881%0.807SS**  trans-75.7134.8-166.629.8-36.2000113.4
592S33.4Very low33.1Very low109 Ų109144.1 Ų144.176%0.76279%0.792SS**  trans-148.9133.6168.8-95.20000113.3
593K36.8Very low33.8Very low199 Ų199142.9 Ų142.987%0.86580%0.799SS**  trans68.291.1168.8-58.4167.2-172.6171.90115L595K593-L595 PolarHBondContact O-N 3.3Å
594R33.7Very low34.5Very low251 Ų251143.4 Ų143.495%0.94779%0.792SS**  trans-48.4114174.4-65.4-179.9177.6-158.4-1112.9R596R594-R596 PolarHBondContact O-N 2.87Å
595L39.5Very low34.8Very low159 Ų159141.4 Ų141.483%0.83278%0.777SS**  trans-91.879.8162.3-83.8171.8000111.2K593K593-L595 PolarHBondContact O-N 3.3Å
596R31.4Very low35.5Very low231 Ų231146.6 Ų146.687%0.87278%0.78SS**  trans-141.181.2153-75.3-161.6-178.7-168.31.5109.6R594 V598R594-R596 PolarHBondContact O-N 2.87Å; R596-V598 PolarHBondContact O-N 3.38Å
597R32.8Very low35.9Very low220 Ų220147.3 Ų147.383%0.8378%0.784SS**  trans-78.696.8159.2179.4174.2-75.1-162.4-5.6106.5
598V33.9Very low36.3Very low120 Ų120142 Ų14273%0.72778%0.778SS**  trans-58137.8168.91790000108R596 C600R596-V598 PolarHBondContact O-N 3.38Å; V598-C600 PolarHBondContact O-N 3.18Å
599A31.3Very low37.2Very low84 Ų84140.7 Ų140.769%0.69477%0.771SS**  trans-70.5127.5178.500000110S601A599-S601 PolarHBondContact O-N 3.32Å
600C31.5Very low37.7Very low98 Ų98139.8 Ų139.866%0.66276%0.762SS**  trans-77.1105.4175.2-64.10000110.1V598 C602V598-C600 PolarHBondContact O-N 3.18Å; C600-C602 PolarHBondContact O-N 3.47Å
601S41.1Very low37.7Very low120 Ų120143.9 Ų143.984%0.83976%0.761SS**  trans-80.767.3170.8-61.20000111.2A599A599-S601 PolarHBondContact O-N 3.32Å
602C32.2Very low37.7Very low84 Ų84146.1 Ų146.157%0.56877%0.766SS**  trans-134.7131.4179.4-74.50000111.4C600 N604C600-C602 PolarHBondContact O-N 3.47Å; C602-N604 PolarHBondContact O-N 3.5Å
603P40.8Very low38.1Very low145 Ų145146.2 Ų146.294%0.94277%0.767SS**THydrogen-bonded Turntrans-65.1-2.9179.3-23.934.5000116.4
604N44.6Very low38.6Very low133 Ų133141 Ų14171%0.71177%0.77SS**THydrogen-bonded Turntrans-143.243-165.1-143.8-18.6000113.5C602 R606C602-N604 PolarHBondContact O-N 3.5Å; N604-R606 PolarHBondContact O-N 2.82Å
605C35.4Very low39.3Very low74 Ų74131.7 Ų131.750%0.574%0.739SS.*  trans-60.7122.4175.5-81.20000111.8
606R43Very low40.1Very low215 Ų215130.5 Ų130.581%0.81174%0.741SS**  trans-90-23.8-174.4-160.2168.1179.8163.4-2.1113N604 G608N604-R606 PolarHBondContact O-N 2.82Å; R606-G608 PolarHBondContact O-N 2.97Å
607D39.2Very low41.4Very low150 Ų150124.8 Ų124.880%0.80273%0.732SS**  trans-92.295.3-164.4-49.4-61.5000113.2E609D607-E609 VanDerWaalsContact C-N 3.33Å; D607-E609 PolarHBondContact O-N 3.14Å
608G41.7Very low42.5Very low67 Ų67121.9 Ų121.969%0.69173%0.725SS**  trans-84.511.9-176.200000116.5R606 G610R606-G608 PolarHBondContact O-N 2.97Å; G608-G610 PolarHBondContact O-N 2.76Å
609E48.3Very low43.8Very low180 Ų180125.2 Ų125.284%0.84173%0.73SS**  trans-69.660.1-175.4-74.3-100.211300113.1D607 R611D607-E609 VanDerWaalsContact C-N 3.33Å; D607-E609 PolarHBondContact O-N 3.14Å; E609-R611 PolarHBondContact O-N 3.03Å
610G41.1Very low45.5Very low47 Ų47127.1 Ų127.149%0.48572%0.722SS.*  trans-86.186.3171.400000111G608G608-G610 PolarHBondContact O-N 2.76Å
611R38.6Very low47.8Very low209 Ų209128.9 Ų128.979%0.78972%0.721SS**  trans17.9124.6161.6-63.3179-179.3167.2-0.6117.6E609 S613E609-R611 PolarHBondContact O-N 3.03Å; R611-S613 PolarHBondContact O-N 2.99Å; R611-S613 VanDerWaalsContact O-N 3.1Å
612N42.3Very low49.7Very low173 Ų173125.2 Ų125.293%0.92569%0.69SS**  trans-48.9116.5166.4-69.9-14.9000112
613S41Very low52.2Low111 Ų111124.6 Ų124.678%0.77668%0.681SS**  trans-111.7114.2155.4-60.30000105.8R611 D615R611-S613 PolarHBondContact O-N 2.99Å; R611-S613 VanDerWaalsContact O-N 3.1Å; S613-D615 VanDerWaalsContact C-N 3.32Å; S613-D615 PolarHBondContact O-N 3.25Å
614G46.8Very low54.3Low89 Ų89117.8 Ų117.892%0.91864%0.637SS**  trans-76.672.4-165.400000114.2
615D49.6Very low56Low57 Ų57119.4 Ų119.431%0.30564%0.64SS.*  trans-136.799.2172.8-178.8-6.7000109.6S613 T617 K618S613-D615 VanDerWaalsContact C-N 3.32Å; S613-D615 PolarHBondContact O-N 3.25Å; D615-T617 PolarHBondContact O-N 2.94Å; D615-T617 WeakPolarHBondContact OD1-CB 3.44Å; D615-T617 PolarHBondContact OD1-N 3.12Å; D615-T617 PolarHBondContact OD1-OG1 3.3Å; D615-K618 WeakPolarHBondContact OD2-CD 3.46Å; D615-K618 WeakPolarHBondContact OD2-CE 3.46Å; D615-K618 IonicContact OD2-NZ 3.16Å; D615-K618 PolarHBondContact OD2-NZ 3.44Å
616P54.9Low57.9Low133 Ų133120 Ų12086%0.86464%0.636SS**THydrogen-bonded Turntrans-71.4-5.1-178.130.1-35.2000113.6
617T59.1Low59.2Low112 Ų112119 Ų11969%0.68764%0.64SS**THydrogen-bonded Turntrans-84.2-24.4-178.473.30000113D615 K619D615-T617 PolarHBondContact O-N 2.94Å; D615-T617 WeakPolarHBondContact OD1-CB 3.44Å; D615-T617 PolarHBondContact OD1-N 3.12Å; D615-T617 PolarHBondContact OD1-OG1 3.3Å; T617-K619 PolarHBondContact O-N 2.9Å
618K56.2Low60.8Low159 Ų159116.1 Ų116.169%0.69165%0.646SS**SBendtrans-9492.5-175.1-70.3-178.1-176.8115.80112.2D615 K620D615-K618 WeakPolarHBondContact OD2-CD 3.46Å; D615-K618 WeakPolarHBondContact OD2-CE 3.46Å; D615-K618 IonicContact OD2-NZ 3.16Å; D615-K618 PolarHBondContact OD2-NZ 3.44Å; K618-K620 PolarHBondContact O-N 3.16Å; K618-K620 VanDerWaalsContact O-N 3.15Å
619K61Low62.7Low189 Ų189113.9 Ų113.982%0.82262%0.62SS**PPolyproline II helixtrans-55.8116.8170.7-68.8179.8-180175.20110.4T617 Q621T617-K619 PolarHBondContact O-N 2.9Å; K619-Q621 PolarHBondContact O-N 3.07Å
620K68.1Low64.2Low125 Ų125107.7 Ų107.754%0.54360%0.604SS.*PPolyproline II helixtrans-62.3121.2179.8-166.1170-175.4172.10110K618K618-K620 PolarHBondContact O-N 3.16Å; K618-K620 VanDerWaalsContact O-N 3.15Å
621Q79.3Confident66.2Low135 Ų135110.6 Ų110.663%0.63160%0.603SS**PPolyproline II helixtrans-97150.5-179.3-66.5-178.5-0.200111.2K619 V632K619-Q621 PolarHBondContact O-N 3.07Å; Q621-V632 HydrophobicContact CB-CG1 3.83Å; Q621-V632 HydrophobicContact CG-CG1 4.19Å
622H80.5Confident68.5Low42 Ų42104.3 Ų104.319%0.19459%0.588CS.*EExtended strand (participates in β ladder)trans-126.8104.7-175.3-61.3-73.5000109.5Y633 T636 L639H622-Y633 WeakPolarHBondContact CB-O 3.49Å; H622-Y633 PolarHBondContact N-O 2.94Å; H622-Y633 PolarHBondContact O-N 2.86Å; H622-T636 WeakPolarHBondContact CE1-CG2 3.37Å; H622-L639 HydrophobicContact CB-CB 4.09Å; H622-L639 HydrophobicContact CB-CD2 3.81Å
623I84Confident70.5Confident72 Ų7298.5 Ų98.537%0.36955%0.554SS.*EExtended strand (participates in β ladder)trans-93139.3-172.7-49.3-177.1000110.4H625 V632I623-H625 PolarHBondContact O-CE1 2.86Å; I623-H625 PolarHBondContact O-N 3.03Å; I623-H625 PolarHBondContact O-ND1 3.4Å; I623-V632 HydrophobicContact CG1-CG1 4.23Å; I623-V632 HydrophobicContact CG1-CG2 4.1Å; I623-V632 HydrophobicContact CG2-CG2 4.32Å
624C84.9Confident72.6Confident2 Ų296.2 Ų96.21%0.01455%0.547CS..  trans-79.2112.1167.6-168.40000109.9M626 G630 K631 L639 H642 H646C624-M626 VanDerWaalsContact C-N 3.32Å; C624-G630 WeakPolarHBondContact O-CA 3.28Å; C624-G630 PolarHBondContact O-N 3.04Å; C624-K631 HydrophobicContact CB-CB 4.46Å; C624-K631 WeakPolarHBondContact CB-O 3.29Å; C624-K631 PolarHBondContact N-O 3.48Å; C624-L639 HydrophobicContact CB-CD1 3.76Å; C624-H642 VanDerWaalsContact SG-CD2 3.6Å; C624-H642 PolarHBondContact SG-NE2 2.8Å; C624-H646 PolarHBondContact SG-NE2 2.99Å
625H81.5Confident74.3Confident167 Ų16797.9 Ų97.977%0.77353%0.529SS*.  trans-9311-178.7-6177.6000112.7I623I623-H625 PolarHBondContact O-CE1 2.86Å; I623-H625 PolarHBondContact O-N 3.03Å; I623-H625 PolarHBondContact O-ND1 3.4Å
626M74.9Confident75.7Confident86 Ų8698.7 Ų98.742%0.42454%0.537SS..SBendtrans-67140.2170.5-60.9-58.2-67.900109.5C624 C629 L643 H646C624-M626 VanDerWaalsContact C-N 3.32Å; M626-C629 HydrophobicContact CB-CB 4.21Å; M626-C629 WeakPolarHBondContact O-CB 3.23Å; M626-C629 PolarHBondContact O-N 3.05Å; M626-L643 HydrophobicContact CG-CD2 3.79Å; M626-L643 HydrophobicContact SD-CD2 4.42Å; M626-H646 HydrophobicContact CE-CB 4.25Å; M626-H646 HydrophobicContact CG-CB 4.24Å
627E70.2Confident76.8Confident193 Ų19395.4 Ų95.490%0.90252%0.516SS*.THydrogen-bonded Turntrans-55.1138.4-177.7-167.1165.4-168.900111.5C629E627-C629 PolarHBondContact O-N 3.26Å; E627-C629 VanDerWaalsContact O-N 3.07Å
628G73.4Confident78Confident90 Ų9094.7 Ų94.793%0.92851%0.505SS*.THydrogen-bonded Turntrans67.9-4.5-174.800000116.6
629C81Confident79.3Confident21 Ų2188.4 Ų88.414%0.14248%0.479CS..THydrogen-bonded Turntrans-94.7-59.9-171.2-162.30000115.6M626 E627 K631 H642 H646M626-C629 HydrophobicContact CB-CB 4.21Å; M626-C629 WeakPolarHBondContact O-CB 3.23Å; M626-C629 PolarHBondContact O-N 3.05Å; E627-C629 PolarHBondContact O-N 3.26Å; E627-C629 VanDerWaalsContact O-N 3.07Å; C629-K631 PolarHBondContact O-N 3.4Å; C629-H642 VanDerWaalsContact SG-CE1 3.56Å; C629-H642 PolarHBondContact SG-NE2 3.28Å; C629-H646 WeakPolarHBondContact CB-CE1 3.48Å; C629-H646 WeakPolarHBondContact CB-NE2 3.37Å; C629-H646 PolarHBondContact SG-CE1 3.21Å; C629-H646 PolarHBondContact SG-NE2 2.94Å
630G80Confident80.1Confident49 Ų4985.6 Ų85.651%0.50546%0.463SS..  trans61.5-3.617700000118.2C624 V632C624-G630 WeakPolarHBondContact O-CA 3.28Å; C624-G630 PolarHBondContact O-N 3.04Å; G630-V632 PolarHBondContact O-N 2.88Å
631K82.7Confident80.7Confident108 Ų10881 Ų8147%0.4745%0.449SS..  trans-61.6134-170-69.5176.7-175.6175.30113C624 C629 Y633C624-K631 HydrophobicContact CB-CB 4.46Å; C624-K631 WeakPolarHBondContact CB-O 3.29Å; C624-K631 PolarHBondContact N-O 3.48Å; C629-K631 PolarHBondContact O-N 3.4Å; K631-Y633 HydrophobicContact CB-CE2 3.62Å; K631-Y633 WeakPolarHBondContact O-CE2 3.29Å
632V86.6Confident80.8Confident77 Ų7775.6 Ų75.647%0.46742%0.423SS..EExtended strand (participates in β ladder)trans-107132.1-174.2-172.90000111.5Q621 I623 G630Q621-V632 HydrophobicContact CB-CG1 3.83Å; Q621-V632 HydrophobicContact CG-CG1 4.19Å; I623-V632 HydrophobicContact CG1-CG1 4.23Å; I623-V632 HydrophobicContact CG1-CG2 4.1Å; I623-V632 HydrophobicContact CG2-CG2 4.32Å; G630-V632 PolarHBondContact O-N 2.88Å
633Y85.3Confident80.8Confident52 Ų5276.3 Ų76.320%0.20443%0.428CS..EExtended strand (participates in β ladder)trans-125.3136.7-176.3-62.4-84.4000112.4H622 K631 K635 H638 L639 H642H622-Y633 WeakPolarHBondContact CB-O 3.49Å; H622-Y633 PolarHBondContact N-O 2.94Å; H622-Y633 PolarHBondContact O-N 2.86Å; K631-Y633 HydrophobicContact CB-CE2 3.62Å; K631-Y633 WeakPolarHBondContact O-CE2 3.29Å; Y633-K635 VanDerWaalsContact C-N 3.28Å; Y633-K635 PolarHBondContact O-N 2.82Å; Y633-H638 HydrophobicContact CD1-CB 3.69Å; Y633-H638 HydrophobicContact CG-CB 4.16Å; Y633-L639 HydrophobicContact CD2-CB 4.06Å; Y633-L639 HydrophobicContact CD2-CD1 3.92Å; Y633-L639 HydrophobicContact CE2-CD1 4.25Å; Y633-L639 HydrophobicContact CG-CB 4.34Å; Y633-H642 HydrophobicContact CE1-CB 4.28Å; Y633-H642 HydrophobicContact CE2-CB 3.93Å; Y633-H642 AromaticContact CE2-CD2 3.42Å; Y633-H642 VanDerWaalsContact CE2-CD2 3.42Å; Y633-H642 WeakPolarHBondContact CE2-CD2 3.42Å; Y633-H642 AromaticContact CE2-CG 3.78Å; Y633-H642 AromaticContact CZ-CD2 3.74Å; Y633-H642 AromaticContact CZ-CG 3.62Å; Y633-H642 PolarHBondContact OH-CD2 3.29Å
634G84Confident80.6Confident62 Ų6276.1 Ų76.164%0.63942%0.423SS*.SBendtrans-79.61.1176.300000115.7
635K82.4Confident80.1Confident124 Ų12484.7 Ų84.754%0.53946%0.455SS..SBendtrans-141.6142176.5-69.4-171.4178.3-176.50110.4Y633 S637 H638 L639Y633-K635 VanDerWaalsContact C-N 3.28Å; Y633-K635 PolarHBondContact O-N 2.82Å; K635-S637 VanDerWaalsContact C-N 3.29Å; K635-S637 PolarHBondContact O-N 3.37Å; K635-H638 HydrophobicContact CB-CB 4.47Å; K635-H638 PolarHBondContact O-N 3.32Å; K635-L639 PolarHBondContact O-N 3.14Å
636T79.2Confident79.8Confident75 Ų7579.7 Ų79.746%0.4643%0.432SS..Hα-helixtrans-59.4-37173.347.80000112.9H622 H638 L639 R640H622-T636 WeakPolarHBondContact CE1-CG2 3.37Å; T636-H638 VanDerWaalsContact C-N 3.33Å; T636-H638 PolarHBondContact O-N 2.88Å; T636-L639 PolarHBondContact O-N 2.87Å; T636-R640 WeakPolarHBondContact O-CG 3.43Å; T636-R640 PolarHBondContact O-N 3.26Å
637S79.5Confident79.8Confident63 Ų6379.8 Ų79.844%0.44144%0.437SS..Hα-helixtrans-61.4-40.1177.453.10000112.2K635 R640 A641K635-S637 VanDerWaalsContact C-N 3.29Å; K635-S637 PolarHBondContact O-N 3.37Å; S637-R640 PolarHBondContact O-N 3.46Å; S637-A641 WeakPolarHBondContact O-CB 3.38Å; S637-A641 PolarHBondContact O-N 2.81Å
638H82.4Confident79.9Confident98 Ų9873.1 Ų73.145%0.45442%0.421SS..Hα-helixtrans-70.2-40.9178.7-63.6-170.6000111.3Y633 K635 T636 A641 H642Y633-H638 HydrophobicContact CD1-CB 3.69Å; Y633-H638 HydrophobicContact CG-CB 4.16Å; K635-H638 HydrophobicContact CB-CB 4.47Å; K635-H638 PolarHBondContact O-N 3.32Å; T636-H638 VanDerWaalsContact C-N 3.33Å; T636-H638 PolarHBondContact O-N 2.88Å; H638-A641 PolarHBondContact O-N 3.2Å; H638-H642 WeakPolarHBondContact O-CB 3.47Å; H638-H642 PolarHBondContact O-N 3.17Å
639L83.7Confident79.8Confident27 Ų2773.9 Ų73.914%0.14140%0.4CS..Hα-helixtrans-61.9-44.6172.6176.160.7000111.3H622 C624 Y633 K635 T636 A641 H642 L643H622-L639 HydrophobicContact CB-CB 4.09Å; H622-L639 HydrophobicContact CB-CD2 3.81Å; C624-L639 HydrophobicContact CB-CD1 3.76Å; Y633-L639 HydrophobicContact CD2-CB 4.06Å; Y633-L639 HydrophobicContact CD2-CD1 3.92Å; Y633-L639 HydrophobicContact CE2-CD1 4.25Å; Y633-L639 HydrophobicContact CG-CB 4.34Å; K635-L639 PolarHBondContact O-N 3.14Å; T636-L639 PolarHBondContact O-N 2.87Å; L639-A641 PolarHBondContact O-N 2.76Å; L639-H642 PolarHBondContact O-N 2.69Å; L639-L643 HydrophobicContact CD1-CD1 4.21Å; L639-L643 HydrophobicContact CD1-CG 4.1Å; L639-L643 HydrophobicContact CG-CD1 4.02Å; L639-L643 HydrophobicContact CG-CG 4.38Å; L639-L643 WeakPolarHBondContact O-CG 3.45Å; L639-L643 PolarHBondContact O-N 3.06Å
640R79.6Confident79.6Confident129 Ų12978.9 Ų78.949%0.48742%0.416SS..Hα-helixtrans-61.4-43.7176.2-77.1178.9173.5156.1-0.2112.4T636 S637 H642 L643 R644T636-R640 WeakPolarHBondContact O-CG 3.43Å; T636-R640 PolarHBondContact O-N 3.26Å; S637-R640 PolarHBondContact O-N 3.46Å; R640-H642 VanDerWaalsContact C-N 3.31Å; R640-H642 PolarHBondContact O-N 2.78Å; R640-L643 PolarHBondContact O-N 3.23Å; R640-R644 PolarHBondContact O-N 2.98Å
641A79.2Confident79.5Confident29 Ų2979.5 Ų79.524%0.2441%0.411CS..Hα-helixtrans-64.4-35.3175.700000112.3S637 H638 L639 R665S637-A641 WeakPolarHBondContact O-CB 3.38Å; S637-A641 PolarHBondContact O-N 2.81Å; H638-A641 PolarHBondContact O-N 3.2Å; L639-A641 PolarHBondContact O-N 2.76Å; A641-R665 HydrophobicContact CB-CG 4.46Å
642H82.6Confident79.3Confident21 Ų2177.4 Ų77.410%0.09740%0.402CS..Hα-helixtrans-70.6-39.9173.7168.349.7000112.9C624 C629 Y633 H638 L639 R640 R644 W645 H646C624-H642 VanDerWaalsContact SG-CD2 3.6Å; C624-H642 PolarHBondContact SG-NE2 2.8Å; C629-H642 VanDerWaalsContact SG-CE1 3.56Å; C629-H642 PolarHBondContact SG-NE2 3.28Å; Y633-H642 HydrophobicContact CE1-CB 4.28Å; Y633-H642 HydrophobicContact CE2-CB 3.93Å; Y633-H642 AromaticContact CE2-CD2 3.42Å; Y633-H642 VanDerWaalsContact CE2-CD2 3.42Å; Y633-H642 WeakPolarHBondContact CE2-CD2 3.42Å; Y633-H642 AromaticContact CE2-CG 3.78Å; Y633-H642 AromaticContact CZ-CD2 3.74Å; Y633-H642 AromaticContact CZ-CG 3.62Å; Y633-H642 PolarHBondContact OH-CD2 3.29Å; H638-H642 WeakPolarHBondContact O-CB 3.47Å; H638-H642 PolarHBondContact O-N 3.17Å; L639-H642 PolarHBondContact O-N 2.69Å; R640-H642 VanDerWaalsContact C-N 3.31Å; R640-H642 PolarHBondContact O-N 2.78Å; H642-R644 PolarHBondContact O-N 3.01Å; H642-W645 VanDerWaalsContact O-CB 3.25Å; H642-W645 WeakPolarHBondContact O-CB 3.31Å; H642-W645 PolarHBondContact O-N 3.35Å; H642-H646 AromaticContact CD2-NE2 3.69Å; H642-H646 AromaticContact CE1-CD2 3.6Å; H642-H646 AromaticContact CE1-NE2 2.69Å; H642-H646 PolarHBondContact CE1-NE2 3.37Å; H642-H646 AromaticContact ND1-NE2 3.92Å; H642-H646 AromaticContact NE2-CD2 3.6Å; H642-H646 AromaticContact NE2-NE2 2.44Å; H642-H646 PolarHBondContact NE2-NE2 3.19Å
643L80Confident79.1Confident58 Ų5876.3 Ų76.330%0.30440%0.396SS..Hα-helixtrans-60.1-28177.6-74.5167.9000112.5M626 L639 R640 W645 H646 T647M626-L643 HydrophobicContact CG-CD2 3.79Å; M626-L643 HydrophobicContact SD-CD2 4.42Å; L639-L643 HydrophobicContact CD1-CD1 4.21Å; L639-L643 HydrophobicContact CD1-CG 4.1Å; L639-L643 HydrophobicContact CG-CD1 4.02Å; L639-L643 HydrophobicContact CG-CG 4.38Å; L639-L643 WeakPolarHBondContact O-CG 3.45Å; L639-L643 PolarHBondContact O-N 3.06Å; R640-L643 PolarHBondContact O-N 3.23Å; L643-W645 PolarHBondContact O-N 2.95Å; L643-H646 WeakPolarHBondContact O-CB 3.44Å; L643-H646 PolarHBondContact O-N 3.26Å; L643-T647 PolarHBondContact O-N 3.25Å; L643-T647 PolarHBondContact O-OG1 2.99Å
644R79.8Confident79.2Confident67 Ų6774.1 Ų74.125%0.25339%0.388SS..Hα-helixtrans-61.4-23.8171.5-67.6-175.8177.6151.73.1114.7R640 H642 T647 G648 E649 T664R640-R644 PolarHBondContact O-N 2.98Å; H642-R644 PolarHBondContact O-N 3.01Å; R644-T647 WeakPolarHBondContact CA-OG1 3.36Å; R644-G648 CarbonylContact O-C 3.55Å; R644-G648 WeakPolarHBondContact O-CA 3.45Å; R644-G648 PolarHBondContact O-N 2.92Å; R644-E649 HydrophobicContact CB-CB 4.2Å; R644-E649 WeakPolarHBondContact CB-O 3.48Å; R644-E649 HydrophobicContact CG-CB 3.93Å; R644-E649 PolarHBondContact O-N 3.24Å; R644-T664 WeakPolarHBondContact CD-O 3.14Å; R644-T664 PolarHBondContact NH1-O 2.8Å
645W73.8Confident79Confident182 Ų18278.7 Ų78.769%0.68940%0.398SS*.Hα-helixtrans-71.3-35.7172.1-176.980.2000111.4H642 L643H642-W645 VanDerWaalsContact O-CB 3.25Å; H642-W645 WeakPolarHBondContact O-CB 3.31Å; H642-W645 PolarHBondContact O-N 3.35Å; L643-W645 PolarHBondContact O-N 2.95Å
646H75.9Confident78.8Confident63 Ų6377.9 Ų77.929%0.29239%0.391SS..Hα-helixtrans-75.8-34.8174.7-69.4-77000113.2C624 M626 C629 H642 L643C624-H646 PolarHBondContact SG-NE2 2.99Å; M626-H646 HydrophobicContact CE-CB 4.25Å; M626-H646 HydrophobicContact CG-CB 4.24Å; C629-H646 WeakPolarHBondContact CB-CE1 3.48Å; C629-H646 WeakPolarHBondContact CB-NE2 3.37Å; C629-H646 PolarHBondContact SG-CE1 3.21Å; C629-H646 PolarHBondContact SG-NE2 2.94Å; H642-H646 AromaticContact CD2-NE2 3.69Å; H642-H646 AromaticContact CE1-CD2 3.6Å; H642-H646 AromaticContact CE1-NE2 2.69Å; H642-H646 PolarHBondContact CE1-NE2 3.37Å; H642-H646 AromaticContact ND1-NE2 3.92Å; H642-H646 AromaticContact NE2-CD2 3.6Å; H642-H646 AromaticContact NE2-NE2 2.44Å; H642-H646 PolarHBondContact NE2-NE2 3.19Å; L643-H646 WeakPolarHBondContact O-CB 3.44Å; L643-H646 PolarHBondContact O-N 3.26Å
647T73.8Confident78.1Confident87 Ų8782.4 Ų82.453%0.53441%0.411SS..Hα-helixtrans-91.6-6.5-179.4620000114.3L643 R644 E649L643-T647 PolarHBondContact O-N 3.25Å; L643-T647 PolarHBondContact O-OG1 2.99Å; R644-T647 WeakPolarHBondContact CA-OG1 3.36Å; T647-E649 PolarHBondContact O-N 2.76Å; T647-E649 WeakPolarHBondContact OG1-CG 3.48Å
648G72.6Confident77.8Confident54 Ų5487 Ų8756%0.55742%0.423SS*.  trans68.77.2-174.600000114.7R644 R650R644-G648 CarbonylContact O-C 3.55Å; R644-G648 WeakPolarHBondContact O-CA 3.45Å; R644-G648 PolarHBondContact O-N 2.92Å; G648-R650 PolarHBondContact O-N 3.38Å
649E72.4Confident77.9Confident106 Ų10683.9 Ų83.950%0.49541%0.412SS..  trans-65.8106.8-177.1-81.8-176.6-171.600112.2R644 T647 P651R644-E649 HydrophobicContact CB-CB 4.2Å; R644-E649 WeakPolarHBondContact CB-O 3.48Å; R644-E649 HydrophobicContact CG-CB 3.93Å; R644-E649 PolarHBondContact O-N 3.24Å; T647-E649 PolarHBondContact O-N 2.76Å; T647-E649 WeakPolarHBondContact OG1-CG 3.48Å; E649-P651 VanDerWaalsContact C-CD 3.4Å; E649-P651 WeakPolarHBondContact O-CD 3.04Å
650R76.9Confident77.5Confident126 Ų12684.8 Ų84.848%0.47543%0.428SS..  trans-11077.9172.8-61.1172.185.2147.93.2109.6G648 R662 F663 T664G648-R650 PolarHBondContact O-N 3.38Å; R650-R662 HydrophobicContact CB-CB 3.61Å; R650-R662 PolarHBondContact NE-O 3.33Å; R650-R662 PolarHBondContact NH2-O 2.37Å; R650-R662 PolarHBondContact O-NE 3.34Å; R650-R662 PolarHBondContact O-NH2 3.24Å; R650-F663 CarbonylContact C-O 3.35Å; R650-F663 WeakPolarHBondContact CA-O 3.44Å; R650-T664 HydrophobicContact CG-CG2 4.09Å
651P76.8Confident77.5Confident62 Ų6282.9 Ų82.940%0.40342%0.423SS..  trans-76.8-21.1-171.931.1-37.1000113.8E649E649-P651 VanDerWaalsContact C-CD 3.4Å; E649-P651 WeakPolarHBondContact O-CD 3.04Å
652F79.8Confident77.7Confident63 Ų6387.9 Ų87.928%0.27644%0.436SS..EExtended strand (participates in β ladder)trans-91116.6180-59.4-74.5000109.4R662 F663 R665 L669F652-R662 CarbonylContact O-C 3.5Å; F652-R662 WeakPolarHBondContact O-CA 3.3Å; F652-F663 HydrophobicContact CB-CB 4.23Å; F652-F663 PolarHBondContact N-O 3.49Å; F652-F663 PolarHBondContact O-N 3.27Å; F652-R665 WeakPolarHBondContact CD2-O 3.3Å; F652-R665 VanDerWaalsContact CE2-C 3.42Å; F652-L669 HydrophobicContact CB-CB 4.03Å; F652-L669 HydrophobicContact CB-CD2 3.84Å
653V80.6Confident77.7Confident55 Ų5587.8 Ų87.833%0.33344%0.435SS..EExtended strand (participates in β ladder)trans-108.7143-177-173.40000109.8N655 R662 L669V653-N655 PolarHBondContact O-N 3.2Å; V653-N655 PolarHBondContact O-OD1 2.44Å; V653-R662 HydrophobicContact CG1-CG 4.33Å; V653-R662 HydrophobicContact CG2-CG 4.15Å; V653-L669 WeakPolarHBondContact O-CD1 3.14Å; V653-L669 WeakPolarHBondContact O-CD2 3.11Å
654C87.5Confident77.6Confident5 Ų586.7 Ų86.73%0.03443%0.431CS..  trans-72.4109.7167.5-164.40000110W656 C659 K661 F663 L669 H672C654-W656 PolarHBondContact O-N 2.69Å; C654-C659 HydrophobicContact CB-CB 4.46Å; C654-K661 WeakPolarHBondContact CB-O 3.27Å; C654-K661 PolarHBondContact N-O 3.23Å; C654-F663 HydrophobicContact CB-CE2 4.45Å; C654-L669 HydrophobicContact CB-CD1 4.09Å; C654-H672 PolarHBondContact SG-NE2 3.4Å; C654-H672 VanDerWaalsContact SG-NE2 3.4Å
655N80.1Confident77.5Confident159 Ų15989.5 Ų89.585%0.8544%0.441SS*.  trans-64.64.4175.8-63.31.2000114V653V653-N655 PolarHBondContact O-N 3.2Å; V653-N655 PolarHBondContact O-OD1 2.44Å
656W77.9Confident77.8Confident107 Ų10784.2 Ų84.241%0.40543%0.432SS..  trans-82.3119176.4-164.6-69.7000110.3C654 F658 C659 H676C654-W656 PolarHBondContact O-N 2.69Å; W656-F658 VanDerWaalsContact C-N 3.33Å; W656-F658 AromaticContact CD1-CD1 3.93Å; W656-F658 AromaticContact CD1-CD2 3.5Å; W656-F658 VanDerWaalsContact CD1-CD2 3.5Å; W656-F658 AromaticContact CD1-CE1 3.99Å; W656-F658 AromaticContact CD1-CE2 3.53Å; W656-F658 AromaticContact CD1-CG 3.71Å; W656-F658 AromaticContact CD1-CZ 3.8Å; W656-F658 AromaticContact CE2-CE1 3.92Å; W656-F658 AromaticContact CE2-CZ 3.68Å; W656-F658 HydrophobicContact CZ2-CE1 4.2Å; W656-F658 HydrophobicContact CZ2-CZ 4Å; W656-F658 AromaticContact NE1-CD1 3.36Å; W656-F658 AromaticContact NE1-CD2 3.55Å; W656-F658 AromaticContact NE1-CE1 3.05Å; W656-F658 AromaticContact NE1-CE2 3.22Å; W656-F658 AromaticContact NE1-CG 3.62Å; W656-F658 AromaticContact NE1-CZ 2.97Å; W656-F658 PolarHBondContact O-N 3.17Å; W656-F658 VanDerWaalsContact O-N 3.16Å; W656-C659 HydrophobicContact CB-CB 4.07Å; W656-C659 WeakPolarHBondContact O-CB 3.39Å; W656-C659 PolarHBondContact O-N 3.28Å; W656-H676 HydrophobicContact CD2-CB 4.14Å; W656-H676 HydrophobicContact CE3-CB 3.69Å; W656-H676 HydrophobicContact CH2-CB 4.42Å; W656-H676 HydrophobicContact CZ3-CB 3.85Å
657I65.6Low78Confident169 Ų16983.6 Ų83.687%0.86743%0.431SS*.THydrogen-bonded Turntrans-55.8-39.5-163.1-16368.7000114.6
658F73.1Confident78.4Confident160 Ų16081.8 Ų81.870%0.70242%0.417SS*.THydrogen-bonded Turntrans-87.80.6179.162-128000114.8W656W656-F658 VanDerWaalsContact C-N 3.33Å; W656-F658 AromaticContact CD1-CD1 3.93Å; W656-F658 AromaticContact CD1-CD2 3.5Å; W656-F658 VanDerWaalsContact CD1-CD2 3.5Å; W656-F658 AromaticContact CD1-CE1 3.99Å; W656-F658 AromaticContact CD1-CE2 3.53Å; W656-F658 AromaticContact CD1-CG 3.71Å; W656-F658 AromaticContact CD1-CZ 3.8Å; W656-F658 AromaticContact CE2-CE1 3.92Å; W656-F658 AromaticContact CE2-CZ 3.68Å; W656-F658 HydrophobicContact CZ2-CE1 4.2Å; W656-F658 HydrophobicContact CZ2-CZ 4Å; W656-F658 AromaticContact NE1-CD1 3.36Å; W656-F658 AromaticContact NE1-CD2 3.55Å; W656-F658 AromaticContact NE1-CE1 3.05Å; W656-F658 AromaticContact NE1-CE2 3.22Å; W656-F658 AromaticContact NE1-CG 3.62Å; W656-F658 AromaticContact NE1-CZ 2.97Å; W656-F658 PolarHBondContact O-N 3.17Å; W656-F658 VanDerWaalsContact O-N 3.16Å
659C84.8Confident79.1Confident33 Ų3380.5 Ų80.522%0.22340%0.397CS..THydrogen-bonded Turntrans-102.5-50.8-172.7-172.80000113.7C654 W656 K661 H672 H676C654-C659 HydrophobicContact CB-CB 4.46Å; W656-C659 HydrophobicContact CB-CB 4.07Å; W656-C659 WeakPolarHBondContact O-CB 3.39Å; W656-C659 PolarHBondContact O-N 3.28Å; C659-K661 PolarHBondContact O-N 2.85Å; C659-H672 VanDerWaalsContact SG-CE1 3.52Å; C659-H672 PolarHBondContact SG-NE2 3.34Å; C659-H676 PolarHBondContact SG-CE1 3.41Å; C659-H676 PolarHBondContact SG-NE2 3.46Å; C659-H676 VanDerWaalsContact SG-NE2 3.35Å
660G74.7Confident79.6Confident46 Ų4680.3 Ų80.347%0.47440%0.396SS..  trans61-9.2178.200000117.4R662G660-R662 WeakPolarHBondContact O-CG 3.41Å; G660-R662 PolarHBondContact O-N 2.91Å
661K80.8Confident79.9Confident89 Ų8978.7 Ų78.739%0.38739%0.39SS..  trans-56.3135.7-174.4-74-166.6171.6-174.80111.2C654 C659 F663 E765C654-K661 WeakPolarHBondContact CB-O 3.27Å; C654-K661 PolarHBondContact N-O 3.23Å; C659-K661 PolarHBondContact O-N 2.85Å; K661-F663 HydrophobicContact CB-CE2 3.84Å; K661-F663 HydrophobicContact CB-CZ 3.6Å; K661-F663 VanDerWaalsContact O-CE2 3.3Å; K661-F663 WeakPolarHBondContact O-CE2 3.35Å; K661-E765 PolarHBondContact NZ-OXT 2.89Å
662R82.8Confident80.4Confident133 Ų13376.9 Ų76.950%0.50238%0.376SS..EExtended strand (participates in β ladder)trans-114.8146.4-175.6-52.3-176.962158.71110.7R650 F652 V653 G660R650-R662 HydrophobicContact CB-CB 3.61Å; R650-R662 PolarHBondContact NE-O 3.33Å; R650-R662 PolarHBondContact NH2-O 2.37Å; R650-R662 PolarHBondContact O-NE 3.34Å; R650-R662 PolarHBondContact O-NH2 3.24Å; F652-R662 CarbonylContact O-C 3.5Å; F652-R662 WeakPolarHBondContact O-CA 3.3Å; V653-R662 HydrophobicContact CG1-CG 4.33Å; V653-R662 HydrophobicContact CG2-CG 4.15Å; G660-R662 WeakPolarHBondContact O-CG 3.41Å; G660-R662 PolarHBondContact O-N 2.91Å
663F82.8Confident80.5Confident20 Ų2081.4 Ų81.49%0.08839%0.391CS..EExtended strand (participates in β ladder)trans-133.6151.8-169.7-58.6-73.4000111.3R650 F652 C654 K661 E668 L669 H672R650-F663 CarbonylContact C-O 3.35Å; R650-F663 WeakPolarHBondContact CA-O 3.44Å; F652-F663 HydrophobicContact CB-CB 4.23Å; F652-F663 PolarHBondContact N-O 3.49Å; F652-F663 PolarHBondContact O-N 3.27Å; C654-F663 HydrophobicContact CB-CE2 4.45Å; K661-F663 HydrophobicContact CB-CE2 3.84Å; K661-F663 HydrophobicContact CB-CZ 3.6Å; K661-F663 VanDerWaalsContact O-CE2 3.3Å; K661-F663 WeakPolarHBondContact O-CE2 3.35Å; F663-E668 HydrophobicContact CB-CB 4.15Å; F663-E668 HydrophobicContact CB-CG 4.07Å; F663-E668 WeakPolarHBondContact CB-OE2 3.25Å; F663-E668 HydrophobicContact CD1-CB 4.4Å; F663-E668 HydrophobicContact CD1-CG 3.57Å; F663-E668 HydrophobicContact CE1-CG 4.42Å; F663-E668 HydrophobicContact CG-CB 4.49Å; F663-E668 HydrophobicContact CG-CG 4.11Å; F663-L669 HydrophobicContact CB-CB 4.27Å; F663-L669 HydrophobicContact CD2-CB 3.85Å; F663-L669 HydrophobicContact CD2-CD1 3.86Å; F663-L669 HydrophobicContact CD2-CG 4.45Å; F663-L669 HydrophobicContact CE2-CD1 4.06Å; F663-L669 HydrophobicContact CG-CB 4.29Å; F663-H672 HydrophobicContact CE1-CB 4.14Å; F663-H672 HydrophobicContact CE2-CB 3.93Å; F663-H672 AromaticContact CE2-CD2 3.28Å; F663-H672 WeakPolarHBondContact CE2-CD2 3.37Å; F663-H672 AromaticContact CE2-CG 3.65Å; F663-H672 HydrophobicContact CZ-CB 3.58Å; F663-H672 AromaticContact CZ-CD2 3.37Å; F663-H672 WeakPolarHBondContact CZ-CD2 3.48Å; F663-H672 AromaticContact CZ-CG 3.28Å; F663-H672 AromaticContact CZ-ND1 3.89Å; F663-H672 AromaticContact CZ-NE2 3.99Å
664T76.5Confident80.6Confident34 Ų3480.4 Ų80.421%0.20938%0.381CS..SBendtrans-83-23.6-179.262.10000111.7R644 R650 E668R644-T664 WeakPolarHBondContact CD-O 3.14Å; R644-T664 PolarHBondContact NH1-O 2.8Å; R650-T664 HydrophobicContact CG-CG2 4.09Å; T664-E668 PolarHBondContact N-OE2 3.4Å; T664-E668 PolarHBondContact OG1-OE2 3.47Å
665R79.1Confident80.3Confident126 Ų12683.7 Ų83.748%0.47540%0.402SS..SBendtrans-130155.9-174.9-64.7168.953.4151.40.9112.6A641 F652 D667 E668 L669A641-R665 HydrophobicContact CB-CG 4.46Å; F652-R665 WeakPolarHBondContact CD2-O 3.3Å; F652-R665 VanDerWaalsContact CE2-C 3.42Å; R665-D667 WeakPolarHBondContact CB-OD1 3.34Å; R665-D667 IonicContact CZ-OD1 2.82Å; R665-D667 IonicContact CZ-OD2 3.26Å; R665-D667 IonicContact NE-OD1 2.76Å; R665-D667 PolarHBondContact NE-OD1 3.28Å; R665-D667 IonicContact NE-OD2 3.25Å; R665-D667 VanDerWaalsContact NH2-CG 3.27Å; R665-D667 IonicContact NH2-OD1 3.76Å; R665-D667 PolarHBondContact NH2-OD1 2.78Å; R665-D667 IonicContact NH2-OD2 3.8Å; R665-D667 PolarHBondContact NH2-OD2 2.77Å; R665-E668 HydrophobicContact CB-CB 4Å; R665-E668 PolarHBondContact N-OE2 2.92Å; R665-E668 WeakPolarHBondContact O-CB 3.44Å; R665-L669 PolarHBondContact O-N 3.31Å
666S79.3Confident80.2Confident71 Ų7178.4 Ų78.450%0.49737%0.372SS..Hα-helixtrans-72.6-42.6179.142.70000112.6E668 L669 Q670S666-E668 PolarHBondContact O-N 2.87Å; S666-L669 PolarHBondContact O-N 3.34Å; S666-Q670 WeakPolarHBondContact O-CB 3.28Å; S666-Q670 PolarHBondContact O-N 3.3Å
667D80.8Confident80.3Confident51 Ų5177 Ų7727%0.27338%0.375SS..Hα-helixtrans-62.1-30.4176.165.6-85000112.4R665 R671R665-D667 WeakPolarHBondContact CB-OD1 3.34Å; R665-D667 IonicContact CZ-OD1 2.82Å; R665-D667 IonicContact CZ-OD2 3.26Å; R665-D667 IonicContact NE-OD1 2.76Å; R665-D667 PolarHBondContact NE-OD1 3.28Å; R665-D667 IonicContact NE-OD2 3.25Å; R665-D667 VanDerWaalsContact NH2-CG 3.27Å; R665-D667 IonicContact NH2-OD1 3.76Å; R665-D667 PolarHBondContact NH2-OD1 2.78Å; R665-D667 IonicContact NH2-OD2 3.8Å; R665-D667 PolarHBondContact NH2-OD2 2.77Å; D667-R671 WeakPolarHBondContact O-CB 3.37Å; D667-R671 PolarHBondContact O-N 2.93Å; D667-R671 IonicContact OD2-NH2 3.46Å; D667-R671 PolarHBondContact OD2-NH2 2.94Å
668E82.4Confident80.8Confident48 Ų4870.8 Ų70.822%0.22435%0.353CS..Hα-helixtrans-68.6-48.2176.3-166.8-171.4-169.900110.7F663 T664 R665 S666 R671 H672F663-E668 HydrophobicContact CB-CB 4.15Å; F663-E668 HydrophobicContact CB-CG 4.07Å; F663-E668 WeakPolarHBondContact CB-OE2 3.25Å; F663-E668 HydrophobicContact CD1-CB 4.4Å; F663-E668 HydrophobicContact CD1-CG 3.57Å; F663-E668 HydrophobicContact CE1-CG 4.42Å; F663-E668 HydrophobicContact CG-CB 4.49Å; F663-E668 HydrophobicContact CG-CG 4.11Å; T664-E668 PolarHBondContact N-OE2 3.4Å; T664-E668 PolarHBondContact OG1-OE2 3.47Å; R665-E668 HydrophobicContact CB-CB 4Å; R665-E668 PolarHBondContact N-OE2 2.92Å; R665-E668 WeakPolarHBondContact O-CB 3.44Å; S666-E668 PolarHBondContact O-N 2.87Å; E668-R671 PolarHBondContact O-N 2.88Å; E668-H672 WeakPolarHBondContact O-CB 3.13Å; E668-H672 PolarHBondContact O-N 3.47Å
669L86.5Confident80.9Confident27 Ų2766.5 Ų66.514%0.14134%0.335CS..Hα-helixtrans-61.7-43.5171.4170.460.7000112.2F652 V653 C654 F663 R665 S666 H672 R673F652-L669 HydrophobicContact CB-CB 4.03Å; F652-L669 HydrophobicContact CB-CD2 3.84Å; V653-L669 WeakPolarHBondContact O-CD1 3.14Å; V653-L669 WeakPolarHBondContact O-CD2 3.11Å; C654-L669 HydrophobicContact CB-CD1 4.09Å; F663-L669 HydrophobicContact CB-CB 4.27Å; F663-L669 HydrophobicContact CD2-CB 3.85Å; F663-L669 HydrophobicContact CD2-CD1 3.86Å; F663-L669 HydrophobicContact CD2-CG 4.45Å; F663-L669 HydrophobicContact CE2-CD1 4.06Å; F663-L669 HydrophobicContact CG-CB 4.29Å; R665-L669 PolarHBondContact O-N 3.31Å; S666-L669 PolarHBondContact O-N 3.34Å; L669-H672 PolarHBondContact O-N 2.85Å; L669-R673 HydrophobicContact CD1-CG 4.16Å; L669-R673 WeakPolarHBondContact O-CG 3.45Å; L669-R673 PolarHBondContact O-N 2.84Å
670Q83.8Confident80.6Confident102 Ų10270.5 Ų70.548%0.47735%0.348SS..Hα-helixtrans-65.3-41-179.3-169-170.77.700111.4S666 R673 R674S666-Q670 WeakPolarHBondContact O-CB 3.28Å; S666-Q670 PolarHBondContact O-N 3.3Å; Q670-R673 PolarHBondContact O-N 3.29Å; Q670-R674 PolarHBondContact O-N 3.4Å
671R82.3Confident80.9Confident92 Ų9273.7 Ų73.735%0.34735%0.346SS..Hα-helixtrans-62-44172.5-169.3-165.3-43123.410.7111.3D667 E668 R674 R693D667-R671 WeakPolarHBondContact O-CB 3.37Å; D667-R671 PolarHBondContact O-N 2.93Å; D667-R671 IonicContact OD2-NH2 3.46Å; D667-R671 PolarHBondContact OD2-NH2 2.94Å; E668-R671 PolarHBondContact O-N 2.88Å; R671-R674 WeakPolarHBondContact O-CB 3.37Å; R671-R674 PolarHBondContact O-N 3.47Å; R671-R693 HydrophobicContact CG-CG 4.12Å
672H86.4Confident80.9Confident24 Ų2470.6 Ų70.611%0.11133%0.333CS..Hα-helixtrans-64.5-38.7175.6169.663.6000112.7C654 C659 F663 E668 L669 R674 T675 H676C654-H672 PolarHBondContact SG-NE2 3.4Å; C654-H672 VanDerWaalsContact SG-NE2 3.4Å; C659-H672 VanDerWaalsContact SG-CE1 3.52Å; C659-H672 PolarHBondContact SG-NE2 3.34Å; F663-H672 HydrophobicContact CE1-CB 4.14Å; F663-H672 HydrophobicContact CE2-CB 3.93Å; F663-H672 AromaticContact CE2-CD2 3.28Å; F663-H672 WeakPolarHBondContact CE2-CD2 3.37Å; F663-H672 AromaticContact CE2-CG 3.65Å; F663-H672 HydrophobicContact CZ-CB 3.58Å; F663-H672 AromaticContact CZ-CD2 3.37Å; F663-H672 WeakPolarHBondContact CZ-CD2 3.48Å; F663-H672 AromaticContact CZ-CG 3.28Å; F663-H672 AromaticContact CZ-ND1 3.89Å; F663-H672 AromaticContact CZ-NE2 3.99Å; E668-H672 WeakPolarHBondContact O-CB 3.13Å; E668-H672 PolarHBondContact O-N 3.47Å; L669-H672 PolarHBondContact O-N 2.85Å; H672-R674 PolarHBondContact O-N 3.41Å; H672-R674 VanDerWaalsContact O-N 3.14Å; H672-T675 WeakPolarHBondContact O-CB 3.42Å; H672-T675 PolarHBondContact O-N 3.5Å; H672-T675 PolarHBondContact O-OG1 3.26Å; H672-H676 AromaticContact CE1-CE1 3.94Å; H672-H676 AromaticContact CE1-NE2 3.26Å; H672-H676 PolarHBondContact CE1-NE2 3.39Å; H672-H676 VanDerWaalsContact CE1-NE2 3.26Å; H672-H676 AromaticContact NE2-CD2 3.82Å; H672-H676 AromaticContact NE2-NE2 3.03Å; H672-H676 PolarHBondContact NE2-NE2 2.89Å
673R83Confident81.1Confident159 Ų15968.2 Ų68.260%0.633%0.327SS*.Hα-helixtrans-56.8-31.1174.8-78.9-179.962.1-152-4.4113L669 Q670 T675 H676L669-R673 HydrophobicContact CD1-CG 4.16Å; L669-R673 WeakPolarHBondContact O-CG 3.45Å; L669-R673 PolarHBondContact O-N 2.84Å; Q670-R673 PolarHBondContact O-N 3.29Å; R673-T675 PolarHBondContact O-N 3.38Å; R673-H676 PolarHBondContact O-N 3.47Å
674R82.7Confident81.4Confident33 Ų3367.2 Ų67.213%0.12532%0.323CS..Hα-helixtrans-66.2-19.6175-58.6174.5-172.4-174.10.5112.5Q670 R671 H672 G678 E679 M692 D719Q670-R674 PolarHBondContact O-N 3.4Å; R671-R674 WeakPolarHBondContact O-CB 3.37Å; R671-R674 PolarHBondContact O-N 3.47Å; H672-R674 PolarHBondContact O-N 3.41Å; H672-R674 VanDerWaalsContact O-N 3.14Å; R674-G678 PolarHBondContact O-N 2.81Å; R674-G678 VanDerWaalsContact O-N 3.13Å; R674-E679 PolarHBondContact O-N 3.1Å; R674-M692 VanDerWaalsContact C-SD 3.53Å; R674-M692 HydrophobicContact CB-CG 4Å; R674-M692 HydrophobicContact CB-SD 4.19Å; R674-M692 WeakPolarHBondContact O-CE 3.44Å; R674-M692 VanDerWaalsContact O-SD 3.4Å; R674-D719 IonicContact CZ-OD1 2.88Å; R674-D719 IonicContact NH1-OD1 2.74Å; R674-D719 IonicContact NH2-OD1 3.81Å; R674-D719 PolarHBondContact NH2-OD1 2.91Å
675T80.6Confident81.8Confident75 Ų7569.7 Ų69.746%0.4634%0.34SS..Hα-helixtrans-71.4-34.2174.472.60000112.4H672 R673 M692H672-T675 WeakPolarHBondContact O-CB 3.42Å; H672-T675 PolarHBondContact O-N 3.5Å; H672-T675 PolarHBondContact O-OG1 3.26Å; R673-T675 PolarHBondContact O-N 3.38Å; T675-M692 HydrophobicContact CG2-SD 3.75Å
676H79.5Confident81.9Confident48 Ų4868 Ų6822%0.22234%0.337CS..Hα-helixtrans-75.3-33177.8-61.9-60.4000112.9W656 C659 H672 R673W656-H676 HydrophobicContact CD2-CB 4.14Å; W656-H676 HydrophobicContact CE3-CB 3.69Å; W656-H676 HydrophobicContact CH2-CB 4.42Å; W656-H676 HydrophobicContact CZ3-CB 3.85Å; C659-H676 PolarHBondContact SG-CE1 3.41Å; C659-H676 PolarHBondContact SG-NE2 3.46Å; C659-H676 VanDerWaalsContact SG-NE2 3.35Å; H672-H676 AromaticContact CE1-CE1 3.94Å; H672-H676 AromaticContact CE1-NE2 3.26Å; H672-H676 PolarHBondContact CE1-NE2 3.39Å; H672-H676 VanDerWaalsContact CE1-NE2 3.26Å; H672-H676 AromaticContact NE2-CD2 3.82Å; H672-H676 AromaticContact NE2-NE2 3.03Å; H672-H676 PolarHBondContact NE2-NE2 2.89Å; R673-H676 PolarHBondContact O-N 3.47Å
677T78.4Confident82.3Confident77 Ų7767.3 Ų67.347%0.47233%0.331SS..Hα-helixtrans-84.7-10.1175.861.20000113.4E679T677-E679 WeakPolarHBondContact CB-OE1 3.38Å; T677-E679 PolarHBondContact O-N 3.1Å; T677-E679 WeakPolarHBondContact OG1-CG 3.19Å; T677-E679 PolarHBondContact OG1-OE1 3.35Å
678G77.4Confident82.4Confident39 Ų3968.4 Ų68.440%0.40234%0.343SS..THydrogen-bonded Turntrans66.810.9-17900000114.7R674 K680R674-G678 PolarHBondContact O-N 2.81Å; R674-G678 VanDerWaalsContact O-N 3.13Å; G678-K680 PolarHBondContact O-N 3.13Å
679E75.2Confident82.5Confident69 Ų6972 Ų7232%0.32236%0.358SS..  trans-66.198.5-169.5-81.7174.5-117.300113.7R674 T677 R681R674-E679 PolarHBondContact O-N 3.1Å; T677-E679 WeakPolarHBondContact CB-OE1 3.38Å; T677-E679 PolarHBondContact O-N 3.1Å; T677-E679 WeakPolarHBondContact OG1-CG 3.19Å; T677-E679 PolarHBondContact OG1-OE1 3.35Å; E679-R681 HydrophobicContact CB-CG 4.33Å; E679-R681 PolarHBondContact O-N 3.37Å; E679-R681 IonicContact OE2-CZ 3.63Å; E679-R681 IonicContact OE2-NE 3.84Å; E679-R681 PolarHBondContact OE2-NE 3.45Å; E679-R681 IonicContact OE2-NH2 2.77Å; E679-R681 PolarHBondContact OE2-NH2 2.86Å
680K78.6Confident82.4Confident117 Ų11777.2 Ų77.251%0.50938%0.376SS..  trans-88.182172.7-65.4169.8-178.5-178.90110G678 R690 F691G678-K680 PolarHBondContact O-N 3.13Å; K680-R690 HydrophobicContact CB-CB 3.67Å; K680-R690 PolarHBondContact O-NE 3.48Å; K680-R690 PolarHBondContact O-NH2 3.37Å; K680-F691 CarbonylContact C-O 3.3Å; K680-F691 VanDerWaalsContact C-O 3.3Å; K680-F691 VanDerWaalsContact CA-O 3.27Å; K680-F691 WeakPolarHBondContact CA-O 3.39Å
681R79.7Confident82.4Confident114 Ų11474.4 Ų74.443%0.4336%0.362SS..  trans-75.8-23.6-177.3-63.8-171.9177.7-153.5-3.3114.7E679 F691E679-R681 HydrophobicContact CB-CG 4.33Å; E679-R681 PolarHBondContact O-N 3.37Å; E679-R681 IonicContact OE2-CZ 3.63Å; E679-R681 IonicContact OE2-NE 3.84Å; E679-R681 PolarHBondContact OE2-NE 3.45Å; E679-R681 IonicContact OE2-NH2 2.77Å; E679-R681 PolarHBondContact OE2-NH2 2.86Å; R681-F691 PolarHBondContact N-O 3.11Å
682F82.3Confident82.4Confident24 Ų2472 Ų7211%0.10536%0.356CS..EExtended strand (participates in β ladder)trans-103.8105-170.4-61.6-80.5000111R690 F691 L697 T717F682-R690 CarbonylContact O-C 3.53Å; F682-R690 WeakPolarHBondContact O-CA 3.32Å; F682-F691 HydrophobicContact CB-CB 4.26Å; F682-F691 PolarHBondContact N-O 3Å; F682-F691 PolarHBondContact O-N 3.47Å; F682-L697 HydrophobicContact CB-CB 4.13Å; F682-L697 HydrophobicContact CB-CD2 3.75Å; F682-T717 HydrophobicContact CE1-CG2 3.89Å
683E86.8Confident82.2Confident82 Ų8275 Ų7538%0.38337%0.366SS..EExtended strand (participates in β ladder)trans-96140.7-179.4-168161.7144.600112.9S688 R690 L697E683-S688 WeakPolarHBondContact OE1-CA 3.41Å; E683-S688 WeakPolarHBondContact OE1-CB 3.48Å; E683-S688 PolarHBondContact OE1-OG 3.11Å; E683-R690 HydrophobicContact CB-CG 3.99Å; E683-R690 HydrophobicContact CG-CG 3.76Å; E683-R690 VanDerWaalsContact OE2-CD 3.3Å; E683-R690 WeakPolarHBondContact OE2-CD 3.34Å; E683-R690 WeakPolarHBondContact OE2-CG 3.09Å; E683-R690 IonicContact OE2-CZ 3.59Å; E683-R690 IonicContact OE2-NE 2.72Å; E683-R690 IonicContact OE2-NH1 3.75Å; E683-R690 PolarHBondContact OE2-NH1 3.15Å; E683-L697 WeakPolarHBondContact O-CD2 3.46Å
684C88.6Confident82.3Confident0 Ų069.7 Ų69.70%035%0.353CS..  trans-82.8119174.2-177.40000111.4E686 C687 S688 K689 F691 L697 H704C684-E686 PolarHBondContact O-N 2.99Å; C684-E686 VanDerWaalsContact O-N 3.15Å; C684-C687 PolarHBondContact O-N 2.9Å; C684-S688 VanDerWaalsContact O-CA 3.31Å; C684-S688 WeakPolarHBondContact O-CA 3.45Å; C684-S688 PolarHBondContact O-N 3.29Å; C684-K689 HydrophobicContact CB-CB 4.41Å; C684-K689 WeakPolarHBondContact CB-O 3.46Å; C684-K689 PolarHBondContact N-O 3.27Å; C684-F691 HydrophobicContact CB-CE2 4.33Å; C684-L697 HydrophobicContact CB-CD1 3.61Å; C684-H704 PolarHBondContact SG-NE2 3.2Å
685P83.8Confident82.4Confident86 Ų8671.1 Ų71.156%0.55836%0.363SS*.THydrogen-bonded Turntrans-66.4-18.7-176.327.5-35.6000113.9V713P685-V713 HydrophobicContact CG-CG1 4.47Å; P685-V713 HydrophobicContact CG-CG2 4.35Å
686E82.4Confident82.7Confident91 Ų9171.2 Ų71.243%0.42536%0.358SS..THydrogen-bonded Turntrans-92-14.6-176.8-64.6-179-103.700114.1C684 H704C684-E686 PolarHBondContact O-N 2.99Å; C684-E686 VanDerWaalsContact O-N 3.15Å; E686-H704 WeakPolarHBondContact OE1-CB 3.48Å; E686-H704 IonicContact OE1-CD2 3.6Å; E686-H704 IonicContact OE1-CG 3.88Å; E686-H704 VanDerWaalsContact OE2-CB 3.24Å; E686-H704 WeakPolarHBondContact OE2-CB 3.41Å; E686-H704 IonicContact OE2-CG 3.89Å
687C86.4Confident83.2Confident55 Ų5569.1 Ų69.137%0.37235%0.348SS..THydrogen-bonded Turntrans-156.113.2-177.967.30000115.8C684 K689 H700 H704C684-C687 PolarHBondContact O-N 2.9Å; C687-K689 PolarHBondContact O-N 2.96Å; C687-H700 PolarHBondContact SG-NE2 3.49Å; C687-H704 VanDerWaalsContact SG-CE1 3.59Å; C687-H704 PolarHBondContact SG-NE2 3.3Å; C687-H704 VanDerWaalsContact SG-NE2 3.42Å
688S84.3Confident83.7Confident74 Ų7468.2 Ų68.252%0.51735%0.346SS..  trans50.718.3-178.6-74.90000116.5E683 C684 R690E683-S688 WeakPolarHBondContact OE1-CA 3.41Å; E683-S688 WeakPolarHBondContact OE1-CB 3.48Å; E683-S688 PolarHBondContact OE1-OG 3.11Å; C684-S688 VanDerWaalsContact O-CA 3.31Å; C684-S688 WeakPolarHBondContact O-CA 3.45Å; C684-S688 PolarHBondContact O-N 3.29Å; S688-R690 PolarHBondContact O-N 3.31Å
689K83.5Confident84.2Confident125 Ų12573.6 Ų73.654%0.54336%0.358SS..  trans-68127171-73.8-173.2176.8-169.10109.7C684 C687 F691C684-K689 HydrophobicContact CB-CB 4.41Å; C684-K689 WeakPolarHBondContact CB-O 3.46Å; C684-K689 PolarHBondContact N-O 3.27Å; C687-K689 PolarHBondContact O-N 2.96Å; K689-F691 HydrophobicContact CB-CE2 3.68Å; K689-F691 HydrophobicContact CB-CZ 3.94Å; K689-F691 WeakPolarHBondContact O-CD2 3.48Å; K689-F691 VanDerWaalsContact O-CE2 3.23Å; K689-F691 WeakPolarHBondContact O-CE2 3.34Å
690R85.6Confident84.8Confident135 Ų13571.4 Ų71.451%0.50935%0.348SS..EExtended strand (participates in β ladder)trans-104.4135.6-176.7-59.5177.965135.1-8.7111.8K680 F682 E683 S688K680-R690 HydrophobicContact CB-CB 3.67Å; K680-R690 PolarHBondContact O-NE 3.48Å; K680-R690 PolarHBondContact O-NH2 3.37Å; F682-R690 CarbonylContact O-C 3.53Å; F682-R690 WeakPolarHBondContact O-CA 3.32Å; E683-R690 HydrophobicContact CB-CG 3.99Å; E683-R690 HydrophobicContact CG-CG 3.76Å; E683-R690 VanDerWaalsContact OE2-CD 3.3Å; E683-R690 WeakPolarHBondContact OE2-CD 3.34Å; E683-R690 WeakPolarHBondContact OE2-CG 3.09Å; E683-R690 IonicContact OE2-CZ 3.59Å; E683-R690 IonicContact OE2-NE 2.72Å; E683-R690 IonicContact OE2-NH1 3.75Å; E683-R690 PolarHBondContact OE2-NH1 3.15Å; S688-R690 PolarHBondContact O-N 3.31Å
691F84.1Confident85.1Confident44 Ų4466.3 Ų66.319%0.19333%0.326CS..EExtended strand (participates in β ladder)trans-123.6154.6-174.6-59.8-91.6000110.9K680 R681 F682 C684 K689 H696 L697 H700K680-F691 CarbonylContact C-O 3.3Å; K680-F691 VanDerWaalsContact C-O 3.3Å; K680-F691 VanDerWaalsContact CA-O 3.27Å; K680-F691 WeakPolarHBondContact CA-O 3.39Å; R681-F691 PolarHBondContact N-O 3.11Å; F682-F691 HydrophobicContact CB-CB 4.26Å; F682-F691 PolarHBondContact N-O 3Å; F682-F691 PolarHBondContact O-N 3.47Å; C684-F691 HydrophobicContact CB-CE2 4.33Å; K689-F691 HydrophobicContact CB-CE2 3.68Å; K689-F691 HydrophobicContact CB-CZ 3.94Å; K689-F691 WeakPolarHBondContact O-CD2 3.48Å; K689-F691 VanDerWaalsContact O-CE2 3.23Å; K689-F691 WeakPolarHBondContact O-CE2 3.34Å; F691-H696 HydrophobicContact CB-CB 4.4Å; F691-H696 HydrophobicContact CD1-CB 3.95Å; F691-H696 HydrophobicContact CG-CB 4.46Å; F691-L697 HydrophobicContact CB-CB 4.3Å; F691-L697 HydrophobicContact CD2-CB 4.03Å; F691-L697 HydrophobicContact CD2-CD1 3.81Å; F691-L697 HydrophobicContact CD2-CG 4.47Å; F691-L697 HydrophobicContact CE2-CD1 3.98Å; F691-L697 HydrophobicContact CG-CB 4.27Å; F691-H700 HydrophobicContact CE1-CB 4.07Å; F691-H700 HydrophobicContact CE2-CB 4.06Å; F691-H700 AromaticContact CE2-CD2 3.29Å; F691-H700 WeakPolarHBondContact CE2-CD2 3.08Å; F691-H700 AromaticContact CE2-CG 3.79Å; F691-H700 HydrophobicContact CZ-CB 3.6Å; F691-H700 AromaticContact CZ-CD2 3.28Å; F691-H700 WeakPolarHBondContact CZ-CD2 3.4Å; F691-H700 AromaticContact CZ-CG 3.33Å; F691-H700 AromaticContact CZ-NE2 3.96Å
692M81.6Confident85.5Confident42 Ų4267.1 Ų67.121%0.20733%0.332CS..SBendtrans-86.9-17.4180-170.1173.9-73.100113.3R674 T675R674-M692 VanDerWaalsContact C-SD 3.53Å; R674-M692 HydrophobicContact CB-CG 4Å; R674-M692 HydrophobicContact CB-SD 4.19Å; R674-M692 WeakPolarHBondContact O-CE 3.44Å; R674-M692 VanDerWaalsContact O-SD 3.4Å; T675-M692 HydrophobicContact CG2-SD 3.75Å
693R82.6Confident85.5Confident86 Ų8668.8 Ų68.833%0.32535%0.345SS..SBendtrans-135147.2-179-63.4157.646.9169.1-3110.8R671 D695 H696 L697R671-R693 HydrophobicContact CG-CG 4.12Å; R693-D695 WeakPolarHBondContact CB-OD1 3.42Å; R693-D695 IonicContact CZ-OD1 3.21Å; R693-D695 IonicContact CZ-OD2 2.69Å; R693-D695 IonicContact NE-OD1 2.78Å; R693-D695 PolarHBondContact NE-OD1 3.42Å; R693-D695 IonicContact NE-OD2 3.74Å; R693-D695 VanDerWaalsContact NH2-CG 3.34Å; R693-D695 IonicContact NH2-OD1 3.28Å; R693-D695 PolarHBondContact NH2-OD1 3.24Å; R693-D695 IonicContact NH2-OD2 2.78Å; R693-D695 PolarHBondContact NH2-OD2 2.98Å; R693-H696 WeakPolarHBondContact CD-NE2 3.42Å; R693-H696 PolarHBondContact NE-NE2 3.49Å; R693-H696 PolarHBondContact NH1-NE2 2.92Å; R693-H696 PolarHBondContact O-N 3.03Å; R693-L697 PolarHBondContact O-N 2.61Å
694S84.8Confident85.2Confident48 Ų4866.1 Ų66.134%0.33633%0.332SS..Hα-helixtrans-64.5-37.6177.248.40000112.7H696 L697 S698S694-H696 PolarHBondContact O-N 3.26Å; S694-L697 PolarHBondContact O-N 2.98Å; S694-S698 PolarHBondContact O-N 3.42Å; S694-S698 PolarHBondContact O-OG 3.03Å
695D85.1Confident84.2Confident62 Ų6269.4 Ų69.433%0.33235%0.347SS..Hα-helixtrans-66.8-36.218072.1-58.9000112.9R693 S698 K699R693-D695 WeakPolarHBondContact CB-OD1 3.42Å; R693-D695 IonicContact CZ-OD1 3.21Å; R693-D695 IonicContact CZ-OD2 2.69Å; R693-D695 IonicContact NE-OD1 2.78Å; R693-D695 PolarHBondContact NE-OD1 3.42Å; R693-D695 IonicContact NE-OD2 3.74Å; R693-D695 VanDerWaalsContact NH2-CG 3.34Å; R693-D695 IonicContact NH2-OD1 3.28Å; R693-D695 PolarHBondContact NH2-OD1 3.24Å; R693-D695 IonicContact NH2-OD2 2.78Å; R693-D695 PolarHBondContact NH2-OD2 2.98Å; D695-S698 PolarHBondContact O-N 3.47Å; D695-K699 WeakPolarHBondContact O-CB 3.49Å; D695-K699 WeakPolarHBondContact O-CG 3.38Å; D695-K699 PolarHBondContact O-N 2.75Å
696H86.9Confident83.2Confident78 Ų7872 Ų7236%0.36136%0.357SS..Hα-helixtrans-64.9-40.5171-65.1-40.1000111.8F691 R693 S694 H700F691-H696 HydrophobicContact CB-CB 4.4Å; F691-H696 HydrophobicContact CD1-CB 3.95Å; F691-H696 HydrophobicContact CG-CB 4.46Å; R693-H696 WeakPolarHBondContact CD-NE2 3.42Å; R693-H696 PolarHBondContact NE-NE2 3.49Å; R693-H696 PolarHBondContact NH1-NE2 2.92Å; R693-H696 PolarHBondContact O-N 3.03Å; S694-H696 PolarHBondContact O-N 3.26Å; H696-H700 VanDerWaalsContact O-CB 3.29Å; H696-H700 WeakPolarHBondContact O-CB 3.46Å; H696-H700 PolarHBondContact O-N 2.74Å
697L90.2Very high82.1Confident3 Ų375.6 Ų75.62%0.01637%0.371CS..Hα-helixtrans-65-42.2173.5175.558000111.6F682 E683 C684 F691 R693 S694 H700 I701 I715F682-L697 HydrophobicContact CB-CB 4.13Å; F682-L697 HydrophobicContact CB-CD2 3.75Å; E683-L697 WeakPolarHBondContact O-CD2 3.46Å; C684-L697 HydrophobicContact CB-CD1 3.61Å; F691-L697 HydrophobicContact CB-CB 4.3Å; F691-L697 HydrophobicContact CD2-CB 4.03Å; F691-L697 HydrophobicContact CD2-CD1 3.81Å; F691-L697 HydrophobicContact CD2-CG 4.47Å; F691-L697 HydrophobicContact CE2-CD1 3.98Å; F691-L697 HydrophobicContact CG-CB 4.27Å; R693-L697 PolarHBondContact O-N 2.61Å; S694-L697 PolarHBondContact O-N 2.98Å; L697-H700 CarbonylContact O-C 3.55Å; L697-H700 WeakPolarHBondContact O-CA 3.39Å; L697-H700 WeakPolarHBondContact O-CB 3.5Å; L697-H700 PolarHBondContact O-N 3.18Å; L697-H700 VanDerWaalsContact O-N 3.09Å; L697-I701 HydrophobicContact CD1-CD1 3.82Å; L697-I701 HydrophobicContact CD1-CG1 3.85Å; L697-I701 HydrophobicContact CD2-CD1 4.44Å; L697-I701 HydrophobicContact CG-CD1 3.83Å; L697-I701 HydrophobicContact CG-CG1 4.32Å; L697-I701 WeakPolarHBondContact O-CG1 3.44Å; L697-I701 PolarHBondContact O-N 3.47Å; L697-I715 HydrophobicContact CD2-CD1 3.49Å; L697-I715 VanDerWaalsContact CD2-CD1 3.49Å; L697-I715 HydrophobicContact CG-CD1 4Å
698S87.9Confident80.3Confident59 Ų5981.3 Ų81.341%0.41339%0.389SS..Hα-helixtrans-64.6-40.6176.7-640000112.7S694 D695 H700 K702S694-S698 PolarHBondContact O-N 3.42Å; S694-S698 PolarHBondContact O-OG 3.03Å; D695-S698 PolarHBondContact O-N 3.47Å; S698-H700 VanDerWaalsContact C-N 3.3Å; S698-K702 WeakPolarHBondContact O-CG 3.48Å; S698-K702 PolarHBondContact O-N 3.36Å
699K87.3Confident78.7Confident151 Ų15181.4 Ų81.466%0.65740%0.403SS*.Hα-helixtrans-60.5-41.5169.3-76.6-171.2177.4-167.10110.7D695D695-K699 WeakPolarHBondContact O-CB 3.49Å; D695-K699 WeakPolarHBondContact O-CG 3.38Å; D695-K699 PolarHBondContact O-N 2.75Å
700H87.9Confident77Confident24 Ų2479.5 Ų79.511%0.11142%0.418CS..Hα-helixtrans-69.3-41.8-179.617753000114C687 F691 H696 L697 S698 K702 T703 H704C687-H700 PolarHBondContact SG-NE2 3.49Å; F691-H700 HydrophobicContact CE1-CB 4.07Å; F691-H700 HydrophobicContact CE2-CB 4.06Å; F691-H700 AromaticContact CE2-CD2 3.29Å; F691-H700 WeakPolarHBondContact CE2-CD2 3.08Å; F691-H700 AromaticContact CE2-CG 3.79Å; F691-H700 HydrophobicContact CZ-CB 3.6Å; F691-H700 AromaticContact CZ-CD2 3.28Å; F691-H700 WeakPolarHBondContact CZ-CD2 3.4Å; F691-H700 AromaticContact CZ-CG 3.33Å; F691-H700 AromaticContact CZ-NE2 3.96Å; H696-H700 VanDerWaalsContact O-CB 3.29Å; H696-H700 WeakPolarHBondContact O-CB 3.46Å; H696-H700 PolarHBondContact O-N 2.74Å; L697-H700 CarbonylContact O-C 3.55Å; L697-H700 WeakPolarHBondContact O-CA 3.39Å; L697-H700 WeakPolarHBondContact O-CB 3.5Å; L697-H700 PolarHBondContact O-N 3.18Å; L697-H700 VanDerWaalsContact O-N 3.09Å; S698-H700 VanDerWaalsContact C-N 3.3Å; H700-K702 PolarHBondContact O-N 3.39Å; H700-T703 PolarHBondContact ND1-OG1 3.48Å; H700-T703 WeakPolarHBondContact O-CA 3.34Å; H700-T703 WeakPolarHBondContact O-CB 3.39Å; H700-T703 PolarHBondContact O-N 3.1Å; H700-T703 PolarHBondContact O-OG1 3.37Å; H700-H704 AromaticContact CD2-NE2 3.78Å; H700-H704 AromaticContact CE1-CE1 3.45Å; H700-H704 PolarHBondContact CE1-CE1 3.39Å; H700-H704 VanDerWaalsContact CE1-CE1 3.45Å; H700-H704 AromaticContact CE1-NE2 3.26Å; H700-H704 PolarHBondContact CE1-NE2 3.47Å; H700-H704 VanDerWaalsContact CE1-NE2 3.26Å; H700-H704 AromaticContact NE2-CE1 3.62Å; H700-H704 AromaticContact NE2-NE2 3.03Å; H700-H704 PolarHBondContact NE2-NE2 3.43Å
701I86Confident74.8Confident9 Ų975.4 Ų75.45%0.04641%0.413CS..Hα-helixtrans-60-36.7177.6-71.2167.6000110.9L697 T703 H704 Q705 I715L697-I701 HydrophobicContact CD1-CD1 3.82Å; L697-I701 HydrophobicContact CD1-CG1 3.85Å; L697-I701 HydrophobicContact CD2-CD1 4.44Å; L697-I701 HydrophobicContact CG-CD1 3.83Å; L697-I701 HydrophobicContact CG-CG1 4.32Å; L697-I701 WeakPolarHBondContact O-CG1 3.44Å; L697-I701 PolarHBondContact O-N 3.47Å; I701-T703 PolarHBondContact O-N 2.89Å; I701-H704 PolarHBondContact O-N 3.49Å; I701-Q705 HydrophobicContact CG2-CG 4.47Å; I701-Q705 PolarHBondContact O-N 3.35Å; I701-Q705 VanDerWaalsContact O-N 3.11Å; I701-I715 HydrophobicContact CD1-CD1 4.04Å
702K86.8Confident72.8Confident131 Ų13178 Ų7857%0.5744%0.443SS*.Hα-helixtrans-57.8-29172.1-68.1177.1177.4-170.10113.1S698 H700 H704 Q705 N706S698-K702 WeakPolarHBondContact O-CG 3.48Å; S698-K702 PolarHBondContact O-N 3.36Å; H700-K702 PolarHBondContact O-N 3.39Å; K702-H704 PolarHBondContact O-N 3.29Å; K702-Q705 PolarHBondContact O-N 2.75Å; K702-N706 VanDerWaalsContact O-CG 3.29Å; K702-N706 PolarHBondContact O-N 3.19Å; K702-N706 PolarHBondContact O-OD1 3.15Å
703T82.9Confident71.1Confident59 Ų5979 Ų7936%0.36245%0.451SS..Hα-helixtrans-71.4-13.5175.775.90000114.2H700 I701 K707H700-T703 PolarHBondContact ND1-OG1 3.48Å; H700-T703 WeakPolarHBondContact O-CA 3.34Å; H700-T703 WeakPolarHBondContact O-CB 3.39Å; H700-T703 PolarHBondContact O-N 3.1Å; H700-T703 PolarHBondContact O-OG1 3.37Å; I701-T703 PolarHBondContact O-N 2.89Å; T703-K707 WeakPolarHBondContact O-CD 3.43Å; T703-K707 WeakPolarHBondContact O-CE 3.36Å
704H80.6Confident69Low27 Ų2778.6 Ų78.613%0.12547%0.466CS..Hα-helixtrans-96.8-35.8170.3-51.9-52.9000112.1C684 E686 C687 H700 I701 K702 N706 K707 K708C684-H704 PolarHBondContact SG-NE2 3.2Å; E686-H704 WeakPolarHBondContact OE1-CB 3.48Å; E686-H704 IonicContact OE1-CD2 3.6Å; E686-H704 IonicContact OE1-CG 3.88Å; E686-H704 VanDerWaalsContact OE2-CB 3.24Å; E686-H704 WeakPolarHBondContact OE2-CB 3.41Å; E686-H704 IonicContact OE2-CG 3.89Å; C687-H704 VanDerWaalsContact SG-CE1 3.59Å; C687-H704 PolarHBondContact SG-NE2 3.3Å; C687-H704 VanDerWaalsContact SG-NE2 3.42Å; H700-H704 AromaticContact CD2-NE2 3.78Å; H700-H704 AromaticContact CE1-CE1 3.45Å; H700-H704 PolarHBondContact CE1-CE1 3.39Å; H700-H704 VanDerWaalsContact CE1-CE1 3.45Å; H700-H704 AromaticContact CE1-NE2 3.26Å; H700-H704 PolarHBondContact CE1-NE2 3.47Å; H700-H704 VanDerWaalsContact CE1-NE2 3.26Å; H700-H704 AromaticContact NE2-CE1 3.62Å; H700-H704 AromaticContact NE2-NE2 3.03Å; H700-H704 PolarHBondContact NE2-NE2 3.43Å; I701-H704 PolarHBondContact O-N 3.49Å; K702-H704 PolarHBondContact O-N 3.29Å; H704-N706 PolarHBondContact O-N 3.19Å; H704-K707 CarbonylContact O-C 3.56Å; H704-K707 WeakPolarHBondContact O-CA 3.3Å; H704-K707 WeakPolarHBondContact O-CB 3.41Å; H704-K707 PolarHBondContact O-N 3.14Å; H704-K708 PolarHBondContact O-N 3.27Å
705Q66.7Low67.3Low68 Ų6879.7 Ų79.732%0.31847%0.467SS..Hα-helixtrans-57.6-34.1170.9-66.6174.4-19.900111.8I701 K702 K707 K708 A711I701-Q705 HydrophobicContact CG2-CG 4.47Å; I701-Q705 PolarHBondContact O-N 3.35Å; I701-Q705 VanDerWaalsContact O-N 3.11Å; K702-Q705 PolarHBondContact O-N 2.75Å; Q705-K707 PolarHBondContact O-N 3.14Å; Q705-K708 WeakPolarHBondContact CA-O 3.34Å; Q705-K708 CarbonylContact O-C 3.51Å; Q705-K708 VanDerWaalsContact O-O 3.13Å; Q705-A711 PolarHBondContact NE2-O 3.24Å
706N63.3Low65.1Low142 Ų14284.2 Ų84.276%0.75949%0.49SS*.THydrogen-bonded Turntrans-72.80.7171.4-68.3-0.6000114.4K702 H704K702-N706 VanDerWaalsContact O-CG 3.29Å; K702-N706 PolarHBondContact O-N 3.19Å; K702-N706 PolarHBondContact O-OD1 3.15Å; H704-N706 PolarHBondContact O-N 3.19Å
707K59Low62.9Low165 Ų16583.6 Ų83.672%0.71749%0.492SS*.THydrogen-bonded Turntrans-121.7-28.9-180-67.9174.9-177.5165.40113.3T703 H704 Q705T703-K707 WeakPolarHBondContact O-CD 3.43Å; T703-K707 WeakPolarHBondContact O-CE 3.36Å; H704-K707 CarbonylContact O-C 3.56Å; H704-K707 WeakPolarHBondContact O-CA 3.3Å; H704-K707 WeakPolarHBondContact O-CB 3.41Å; H704-K707 PolarHBondContact O-N 3.14Å; Q705-K707 PolarHBondContact O-N 3.14Å
708K48.7Very low60.6Low175 Ų17589.6 Ų89.676%0.76153%0.529SS*.SBendtrans-143.1127.7165.9-68.7-174.2179.7176.90108.7H704 Q705H704-K708 PolarHBondContact O-N 3.27Å; Q705-K708 WeakPolarHBondContact CA-O 3.34Å; Q705-K708 CarbonylContact O-C 3.51Å; Q705-K708 VanDerWaalsContact O-O 3.13Å
709G50.4Low58.1Low77 Ų7791.2 Ų91.279%0.79453%0.533SS*.  trans-69.4148.4-175.500000113.5
710G49.2Very low55.6Low84 Ų8491.6 Ų91.687%0.86654%0.542SS*.  trans85.344.2152.500000118.4
711A38Very low53Low49 Ų4998.3 Ų98.341%0.40558%0.576SS.*  trans-128.6105.616400000111.7Q705 V713Q705-A711 PolarHBondContact NE2-O 3.24Å; A711-V713 PolarHBondContact O-N 2.92Å
712A42.1Very low51.1Low99 Ų99107.1 Ų107.182%0.81862%0.617SS**  trans-96.285.5178.200000110.9A714A712-A714 PolarHBondContact O-N 3.46Å
713V47.3Very low48.6Very low62 Ų62108.9 Ų108.938%0.37663%0.627SS.*  trans-77.3108.2176.2-176.60000109.9P685 A711 I715P685-V713 HydrophobicContact CG-CG1 4.47Å; P685-V713 HydrophobicContact CG-CG2 4.35Å; A711-V713 PolarHBondContact O-N 2.92Å; V713-I715 HydrophobicContact CG1-CG1 4.5Å
714A38.2Very low46.1Very low79 Ų79113.1 Ų113.165%0.65365%0.647SS**  trans-79124.3171.900000110.4A712A712-A714 PolarHBondContact O-N 3.46Å
715I48.2Very low43.9Very low70 Ų70117.5 Ų117.536%0.35968%0.678SS.*  trans-104.2110.1177.1-54.3178.7000108.1L697 I701 V713 T717L697-I715 HydrophobicContact CD2-CD1 3.49Å; L697-I715 VanDerWaalsContact CD2-CD1 3.49Å; L697-I715 HydrophobicContact CG-CD1 4Å; I701-I715 HydrophobicContact CD1-CD1 4.04Å; V713-I715 HydrophobicContact CG1-CG1 4.5Å; I715-T717 HydrophobicContact CG2-CG2 4.22Å
716I39.7Very low42.4Very low157 Ų157120 Ų12081%0.80570%0.7SS**  trans-87.8119.3175.1-57.9174.5000108.1
717T41.1Very low41.1Very low66 Ų66123.1 Ų123.141%0.40571%0.71SS.*  trans-111.1116176.3520000110.7F682 I715 D719F682-T717 HydrophobicContact CE1-CG2 3.89Å; I715-T717 HydrophobicContact CG2-CG2 4.22Å; T717-D719 PolarHBondContact O-N 3.25Å; T717-D719 VanDerWaalsContact O-N 3.13Å
718T41.8Very low39.9Very low129 Ų129118.4 Ų118.479%0.79171%0.709SS**  trans-85.954.5173.555.90000111.2
719D35.7Very low39Very low93 Ų93118.9 Ų118.950%0.49772%0.719SS.*  trans-101.86.4175.7-84-110.7000111.9R674 T717R674-D719 IonicContact CZ-OD1 2.88Å; R674-D719 IonicContact NH1-OD1 2.74Å; R674-D719 IonicContact NH2-OD1 3.81Å; R674-D719 PolarHBondContact NH2-OD1 2.91Å; T717-D719 PolarHBondContact O-N 3.25Å; T717-D719 VanDerWaalsContact O-N 3.13Å
720D33.8Very low38.2Very low159 Ų159120.1 Ų120.185%0.8572%0.721SS**  trans-112.874.8-177.1-128.5-69.7000111.1
721M33.5Very low37.2Very low164 Ų164125.1 Ų125.181%0.80872%0.722SS**  trans-138.6114.2168.8-64.1-171.478.200109.7E723M721-E723 PolarHBondContact O-N 3.44Å
722E46.2Very low36.8Very low195 Ų195127.7 Ų127.791%0.91174%0.737SS**  trans-84.397.8166.6-70.6-176.6102.500108.7
723E33.4Very low36.3Very low167 Ų167128 Ų12878%0.7873%0.731SS**  trans-140.7145170.4-78.2-66153.800109.9M721M721-E723 PolarHBondContact O-N 3.44Å
724D31.7Very low35.4Very low149 Ų149133.4 Ų133.480%0.79775%0.752SS**PPolyproline II helixtrans-77.8142.8177.8-88.6-69000111.7P726D724-P726 WeakPolarHBondContact O-CD 3.32Å
725P34.4Very low35.1Very low118 Ų118137.3 Ų137.377%0.76676%0.76SS**PPolyproline II helixtrans-84.7122-177.232-33.2000112.9
726P35.3Very low34.2Very low121 Ų121140.2 Ų140.279%0.78678%0.781SS**PPolyproline II helixtrans-74.2154.1157.732.4-33.3000110.6D724D724-P726 WeakPolarHBondContact O-CD 3.32Å
727E36.3Very low33.7Very low207 Ų207137.4 Ų137.497%0.96778%0.781SS**PPolyproline II helixtrans-73.9132.7174.9-61.4-174.8117.900111.6
728G32.2Very low33.4Very low67 Ų67139.8 Ų139.869%0.69180%0.795SS**  trans148.7117.6161.300000116.4
729L30.2Very low32.8Very low185 Ų185136.9 Ų136.997%0.96979%0.791SS**  trans67152.1164.8-51.7178.7000116.5
730A34Very low32.5Very low102 Ų102138.7 Ų138.784%0.84381%0.806SS**  trans-116.6116.5-173.700000110.8
731E27.8Very low32.2Very low189 Ų189139.4 Ų139.488%0.88381%0.808SS**  trans-121.8144.8164.7-67.2-158.1102.800110.2
732S29Very low31.9Very low103 Ų103137.8 Ų137.872%0.7281%0.808SS**  trans-86.1135.9177.4-66.90000110.2Q734S732-Q734 PolarHBondContact O-N 3.2Å; S732-Q734 VanDerWaalsContact O-N 3.1Å
733P31.6Very low31.2Very low106 Ų106140.1 Ų140.169%0.68881%0.808SS**  trans-64.211518026.1-33.9000110.4
734Q28.7Very low30.9Very low175 Ų175139 Ų13982%0.81881%0.807SS**  trans-79.1149.2-178.3-62-158.418.900112.3S732 V736S732-Q734 PolarHBondContact O-N 3.2Å; S732-Q734 VanDerWaalsContact O-N 3.1Å; Q734-V736 PolarHBondContact O-N 3.46Å
735I31.9Very low30.9Very low161 Ų161137.5 Ų137.583%0.82681%0.809SS**  trans-85.1111.5178.7-57.9173000108.6
736V30Very low30.6Very low131 Ų131140.8 Ų140.879%0.79481%0.814SS**PPolyproline II helixtrans-83.6140.7174.6-176.60000110.1Q734Q734-V736 PolarHBondContact O-N 3.46Å
737A29.5Very low31.3Very low98 Ų98140.5 Ų140.581%0.8181%0.812SS**PPolyproline II helixtrans-70.2151.3-172.300000114.2
738V35.4Very low30.7Very low117 Ų117135.4 Ų135.471%0.70981%0.805SS**PPolyproline II helixtrans-93.1126.1179.4177.30000110.8
739G27.3Very low30.6Very low67 Ų67138.7 Ų138.769%0.69181%0.812SS**PPolyproline II helixtrans-88.7134.9169.200000112.1
740T29.5Very low30.9Very low132 Ų132135.3 Ų135.381%0.8180%0.801SS**PPolyproline II helixtrans-82.3119.7177.150.40000111.6
741L28.7Very low30.5Very low174 Ų174135.4 Ų135.491%0.91179%0.792SS**  trans-98.3110.6166.5-71.3172.1000109.9
742T27.9Very low30.4Very low129 Ų129132.5 Ų132.579%0.79179%0.787SS**  trans-75146165.846.40000110.2
743R29.8Very low30.3Very low245 Ų245132.6 Ų132.693%0.92579%0.788SS**  trans-152113173.9-170170.2174.8158-0.9110.5
744D27.8Very low30.3Very low142 Ų142135 Ų13576%0.75980%0.795SS**  trans-74.9169.6-177.9-73-84.3000114.6
745S31Very low30.2Very low119 Ų119135 Ų13583%0.83280%0.795SS**  trans86.494.5164.6-52.30000118.6
746E28.7Very low30.4Very low186 Ų186133.5 Ų133.587%0.86979%0.787SS**  trans-72.7-177.6141.2-70.4-163.996.100110.9
747P49.8Very low30.4Very low116 Ų116136.7 Ų136.775%0.75379%0.794SS**  cis-130.6164.7-4.837.4-21.4000115.9
748A25.2Very low30.7Very low99 Ų99140.5 Ų140.582%0.81880%0.795SS**  trans-159.3124.7150.100000112.6
749T28.5Very low30.6Very low136 Ų136144.1 Ų144.183%0.83480%0.804SS**  trans-139.4173.3168.153.40000107.8
750P37.4Very low30.7Very low114 Ų114150.3 Ų150.374%0.7482%0.815SS**  cis-115.2-145.30.626.8-1.2000110.3
751T25.2Very low31Very low105 Ų105153.5 Ų153.564%0.64482%0.82SS**  cis-163.5156.612.9-22.40000110.8
752T26.2Very low31.1Very low127 Ų127153.3 Ų153.378%0.77982%0.815SS**  trans61147.6161.452.10000118.2
753S26.5Very low31.4Very low106 Ų106155.8 Ų155.874%0.74182%0.818SS**  cis-155.1169.2-8.2-105.30000110.1
754N31.1Very low31.6Very low157 Ų157152.7 Ų152.784%0.8481%0.811SS**  trans-70.2148.7-174.1-36.7-71.8000114
755H27.7Very low31.7Very low175 Ų175156.7 Ų156.781%0.8183%0.825SS**  -148.3165.6111.2-144-94.6000112.2
756L35.9Very low31.8Very low129 Ų129158.6 Ų158.668%0.67583%0.825SS**  trans-80151.2176.6-65.5153.6000111.5
757E30.2Very low31.9Very low197 Ų197157.2 Ų157.292%0.92182%0.823SS**  trans-152.6136.3138-116.7148.8-150.100109.4
758E35.6Very low30.9Very low178 Ų178159.4 Ų159.483%0.83283%0.827SS**  trans-108.6125.1178.2-61.4172.5124.400106.8
759E32.5Very low31.3Very low193 Ų193163 Ų16390%0.90283%0.827SS**  trans-134.3145.9168.4-75.6-163.1147.800111
760E30.7Very low31.4Very low197 Ų197164.7 Ų164.792%0.92183%0.827SS**  trans-92.4-179.2-148.1-62175.8109.700114.6E762E760-E762 PolarHBondContact O-N 3.4Å
761E35.6Very low31Very low199 Ų199168.1 Ų168.193%0.9383%0.832SS**  trans-84.192.8178-59.3-172.6130.600111.2E763E761-E763 PolarHBondContact O-N 2.78Å
762E30.1Very low31.4Very low171 Ų171172.6 Ų172.680%0.79985%0.846SS**  trans-78.1109.1165.7-89.1-155.5141.600112.1E760E760-E762 PolarHBondContact O-N 3.4Å
763E34.7Very low31.8Very low181 Ų181176.1 Ų176.185%0.84685%0.851SS**  trans-72.9131163.8175.4172.8-149.100110.7E761E761-E763 PolarHBondContact O-N 2.78Å
764F32.4Very low32.3Very low179 Ų179181.9 Ų181.979%0.78586%0.86SS**  trans-149.1142.4172.4-101.5-75.3000112.9
765E31.1Very low32.4Very low227 Ų227184.2 Ų184.2100%1.06186%0.862SS**  trans-86.70-164.6-57.7-176.891.800117.4K661K661-E765 PolarHBondContact NZ-OXT 2.89Å

Retrieved 765 of 765 residues in 526.3 ms (Link to these results)