A0A087YCQ8_POEFO Loading...

E74-like factor 2b (ets domain transcription factor)

AlphaFold DB , UniProt , Accession A0A087YCQ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 525 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
1M52Low41Very low238 Ų238130.9 Ų130.9100%1.17281%0.813SS**  0104.60-82.3172.1156.700108.4
2T39.1Very low40.8Very low142 Ų142131.4 Ų131.487%0.87182%0.816SS**  trans-173.9118.7158.615.10000107.9
3S37.5Very low40.6Very low120 Ų120135.4 Ų135.484%0.83982%0.822SS**  trans-101.3137.3164.2-58.10000108.2
4V45.9Very low40.5Very low127 Ų127134.8 Ų134.877%0.7782%0.818SS**  trans-133.2129.2163.1179.80000107.8
5V43.2Very low40Very low126 Ų126137.8 Ų137.876%0.76482%0.82SS**  trans-131.1113.2173.8176.60000107.8
6L41.2Very low39.8Very low156 Ų156142 Ų14282%0.81782%0.819SS**  trans-145.2101.2161.4-82.2174000105
7V40.8Very low39.6Very low117 Ų117141.2 Ų141.271%0.70982%0.817SS**  82.8124.178.1167.90000111.3
8D41.3Very low39.4Very low137 Ų137139.7 Ų139.773%0.73381%0.81SS**  trans-59.5144.8-177.2172.534000113.6G10D8-G10 PolarHBondContact OD1-N 3Å
9T40.7Very low39.5Very low140 Ų140142.4 Ų142.486%0.85982%0.815SS**  trans-153.267.5160.2-31.60000109.3
10G35.1Very low39.4Very low67 Ų67144.9 Ų144.969%0.69182%0.819SS**  trans-62.4161.5-166.500000117.7D8D8-G10 PolarHBondContact OD1-N 3Å
11G34.7Very low39.3Very low70 Ų70144.6 Ų144.672%0.72282%0.82SS**  trans167.3119.6170.500000114.5
12T38.7Very low38.3Very low137 Ų137138.3 Ų138.384%0.8480%0.798SS**  trans67.682.5152.8-36.90000119.1V14T12-V14 PolarHBondContact O-N 3.41Å
13M37.5Very low38.3Very low183 Ų183140.1 Ų140.190%0.90180%0.797SS**  30.492.7121.4-172.4-172.1179.800118.4
14V39.5Very low38.5Very low127 Ų127142.8 Ų142.877%0.7780%0.796SS**  -150.8130.1129.5-128.40000108.6T12 Y16T12-V14 PolarHBondContact O-N 3.41Å; V14-Y16 HydrophobicContact CG1-CD2 4.28Å; V14-Y16 HydrophobicContact CG1-CE2 4.12Å
15E33.4Very low38.2Very low180 Ų180144.4 Ų144.484%0.84180%0.799SS**  trans-132.1111.6167.1-170.8168.8-155.900107.8V17E15-V17 HydrophobicContact CG-CG2 4.36Å
16Y36.3Very low38.1Very low205 Ų205146.5 Ų146.580%0.80480%0.801SS**  trans-94.6127.6165.9-84.6-108.5000106.8V14V14-Y16 HydrophobicContact CG1-CD2 4.28Å; V14-Y16 HydrophobicContact CG1-CE2 4.12Å
17V36.4Very low37.8Very low129 Ų129147.5 Ų147.578%0.78280%0.801SS**  trans-107.3105.2164.6-179.30000107.2E15E15-V17 HydrophobicContact CG-CG2 4.36Å
18T36.3Very low37.7Very low114 Ų114148 Ų14870%0.69980%0.804SS**  trans-79.1155.9167.440.90000110.4
19E41.1Very low37.8Very low191 Ų191150.1 Ų150.189%0.89381%0.81SS**  trans-67.1140.2172.1-58.3176.4127.800110.4
20E37.5Very low37.9Very low192 Ų192152.7 Ų152.790%0.89781%0.812SS**  trans-108.2126.5162.8-75.5-166.5153.800109.9
21V37.1Very low38.1Very low139 Ų139152.9 Ų152.984%0.84281%0.807SS**  trans-121.1114.5164.2171.30000106.4
22C31.6Very low38.5Very low106 Ų106156.3 Ų156.372%0.71681%0.809SS**  trans-170.8147.1167.2-98.60000107
23E39.3Very low38.8Very low180 Ų180157.6 Ų157.684%0.84181%0.805SS**  cis-153.8167.4-17.3-139.2162.6-168.300108.9
24E40.4Very low38.8Very low176 Ų176155.1 Ų155.182%0.82280%0.796SS**  trans-83154173.4-169.2167.999.600109.8
25L40.1Very low38.7Very low161 Ų161156.1 Ų156.184%0.84380%0.795SS**  trans179156.8136-98.3169.3000112.9
26E40.2Very low38.8Very low170 Ų170151 Ų15179%0.79478%0.784SS**  trans-89173.6178.5-56.6166.7114.700111.3
27E36.8Very low38.7Very low177 Ų177147.2 Ų147.283%0.82778%0.782SS**  178.8140.5110.7-99-160.5135.800115.5
28V37.6Very low38.6Very low126 Ų126147.2 Ų147.276%0.76478%0.782SS**  trans80144.3139.2171.60000121.6
29E43.3Very low38.6Very low182 Ų182147.2 Ų147.285%0.8578%0.781SS**  trans-95.8163.3-176.5-49.4172.6104.700113.1
30E42Very low38.5Very low195 Ų195146 Ų14691%0.91178%0.775SS**  trans-172.8148.9139.1-100-171.3151.400107.3
31A40.7Very low38.3Very low70 Ų70145.7 Ų145.758%0.57977%0.774SS**  cis-167.9172.1-28.400000108.2
32D42.8Very low38.1Very low143 Ų143143.3 Ų143.377%0.76577%0.769SS**  trans60.4142.3150.4-56.8-13.6000121.6
33E44.9Very low38.8Very low164 Ų164143.1 Ų143.177%0.76677%0.766SS**  cis-165.2-174.6-27.2-134.4-180177.500109.2
34D37.2Very low38.4Very low131 Ų131141 Ų14170%0.70177%0.766SS**  trans67.6145160.7-86.10.4000121.1
35I36.8Very low38.1Very low148 Ų148137 Ų13776%0.75976%0.763SS**  cis-171.6158.7-24.2-126.1-168.8000106.7
36A36.4Very low37.7Very low73 Ų73134.2 Ų134.260%0.60376%0.757SS**  cis-158.8-141.7-5.500000108.1
37V33.6Very low37.2Very low125 Ų125135.4 Ų135.476%0.75875%0.754SS**  trans80.582.3157.9-1650000115.8
38V35.6Very low37.1Very low129 Ų129134 Ų13478%0.78275%0.751SS**  82.513573.9163.60000112
39V35.5Very low36.8Very low113 Ų113132.2 Ų132.269%0.68574%0.738SS**  cis-166157.5-7.1130.50000104.3
40E38.7Very low36.7Very low166 Ų166131 Ų13178%0.77673%0.732SS**  -169125.457.3-148.7151.899.800107
41E33.5Very low36.2Very low185 Ų185129.1 Ų129.186%0.86472%0.723SS**  74.3152.3107.8-150.7167.314600117.2
42A33.3Very low35.6Very low89 Ų89129.4 Ų129.474%0.73673%0.733SS**  trans-121.4-136.2-169.500000109.7
43P46.9Very low35Very low103 Ų103133.3 Ų133.367%0.66974%0.739SS**  cis-135.2-161.9-6.633.3-8.5000114.7
44T30.1Very low34.3Very low136 Ų136131 Ų13183%0.83474%0.741SS**  trans93.4133.4161730000117.9
45A34.2Very low34Very low92 Ų92129.3 Ų129.376%0.7675%0.745SS**  cis-151157.3-7.800000114
46S32.1Very low33.7Very low102 Ų102131.7 Ų131.771%0.71375%0.753SS**  trans13.4121.6148.1-145.60000118.3
47R29.8Very low33.5Very low194 Ų194134.5 Ų134.573%0.73276%0.762SS**  59.8114.460.4-173.8-160.5166.7175.5-0.2114D49R47-D49 IonicContact CZ-OD2 2.62Å; R47-D49 VanDerWaalsContact CZ-OD2 3.23Å; R47-D49 IonicContact NE-OD2 3.23Å; R47-D49 PolarHBondContact NE-OD2 2.62Å; R47-D49 IonicContact NH2-OD2 2.62Å; R47-D49 PolarHBondContact NH2-OD2 2.77Å
48L33.6Very low33.3Very low147 Ų147134.6 Ų134.677%0.7776%0.763SS**  -165.8133.9123.6-86.2150000104.3
49D32.8Very low33.7Very low90 Ų90134.6 Ų134.648%0.48176%0.763SS.*  64.3132.566.4-62.3-47.5000111.3R47R47-D49 IonicContact CZ-OD2 2.62Å; R47-D49 VanDerWaalsContact CZ-OD2 3.23Å; R47-D49 IonicContact NE-OD2 3.23Å; R47-D49 PolarHBondContact NE-OD2 2.62Å; R47-D49 IonicContact NH2-OD2 2.62Å; R47-D49 PolarHBondContact NH2-OD2 2.77Å
50E39.3Very low33.5Very low156 Ų156139.5 Ų139.573%0.72977%0.771SS**  cis-150.4-157.115.6-125.9-177139.500114.1
51Q32.9Very low33.2Very low156 Ų156134.7 Ų134.773%0.72977%0.765SS**  trans-85.4170.3-165.6-31.979.4-2.700114.8
52G28.5Very low33.1Very low76 Ų76132.8 Ų132.878%0.78476%0.761SS**  trans177.760.8173.300000120.1
53Y29.3Very low33.1Very low225 Ų225136.8 Ų136.888%0.88276%0.764SS**  trans17.1145.4152.8-108.3-100.3000124.1
54S30.8Very low32.4Very low116 Ų116135.9 Ų135.981%0.81177%0.766SS**  trans81.7147.4153.281.40000118.7
55A31.3Very low32.5Very low95 Ų95140.2 Ų140.279%0.78577%0.768SS**  trans-116.4142.2-17600000111.3
56Q29.5Very low32.5Very low197 Ų197140.2 Ų140.292%0.92176%0.759SS**  trans-150.6153.9156-138.2157.398.300111.9
57V31.9Very low32.6Very low132 Ų132143 Ų14380%0.876%0.763SS**  trans-97138.3-178.2172.70000109.3
58V30.4Very low32.8Very low127 Ų127141 Ų14177%0.7776%0.761SS**  trans-173.9150.1136.6138.80000109.9Y60V58-Y60 HydrophobicContact CG1-CD2 4.27Å
59V42.8Very low32.6Very low130 Ų130141.5 Ų141.579%0.78876%0.76SS**  trans-102.8125.4177.2173.50000110.6
60Y32.7Very low32.6Very low216 Ų216140.8 Ų140.885%0.84777%0.767SS**  trans-151148.7149-83-79.8000104.8V58V58-Y60 HydrophobicContact CG1-CD2 4.27Å
61G31.4Very low32.3Very low64 Ų64141.6 Ų141.666%0.6677%0.77SS**  cis90.2114.829.600000108.6
62D32.3Very low32.5Very low145 Ų145139.1 Ų139.178%0.77577%0.766SS**  cis-153.3-163.7-2.5-152.4-37000107.9
63E32.6Very low32.7Very low173 Ų173144.2 Ų144.281%0.80877%0.769SS**  trans48138.3144.770.2-158141.800122.3
64A32.1Very low32.9Very low85 Ų85137.2 Ų137.270%0.70277%0.765SS**  cis-167.5156.6-11.800000111.3
65Y32.7Very low33Very low226 Ų226141 Ų14189%0.88677%0.77SS**  trans-148.367.1153.2-154.2-90.6000113.6
66V33.3Very low32.8Very low93 Ų93140.2 Ų140.256%0.56477%0.771SS**  41105.9123.9-175.60000119.2
67M34.8Very low32.8Very low161 Ų161134.6 Ų134.679%0.79377%0.766SS**  trans67157.4140.8-67.8171.9177.600119
68Q33.5Very low32.9Very low151 Ų151137.2 Ų137.271%0.70677%0.769SS**  cis-152.3170.8-1.7-121.6168.3-10900105.7
69E29.9Very low32.8Very low158 Ų158136.9 Ų136.974%0.73877%0.772SS**  cis-161.1171.9-1.656.6-161.9-135.200106.1
70A33Very low32.5Very low75 Ų75140.5 Ų140.562%0.6278%0.777SS**  cis-144.2140.61.300000106.3
71E32.8Very low32.9Very low173 Ų173136.3 Ų136.381%0.80878%0.776SS**  56.3135.685.1-56.3175.3-167.200114.1
72T36.3Very low33.2Very low104 Ų104140.5 Ų140.564%0.63878%0.783SS**  cis-135.6140.811.724.10000111.2
73E34.4Very low33.2Very low183 Ų183140 Ų14086%0.85578%0.78SS**  58.9140.193-53174.916400115.2
74G32.7Very low33.1Very low77 Ų77138.7 Ų138.779%0.79478%0.777SS**  cis-173.8-170.5-0.100000108.1
75E32.5Very low33.2Very low197 Ų197140.1 Ų140.192%0.92178%0.777SS**  cis-165.8151.3-5.7-168.2-162.114500108.7
76G28.4Very low33.2Very low77 Ų77138 Ų13879%0.79478%0.775SS**  trans80.4158.4146.400000121.3
77G29.5Very low33.4Very low79 Ų79137.7 Ų137.781%0.81478%0.782SS**  trans118.661.9147.600000120.4
78E32.5Very low33.4Very low187 Ų187135.7 Ų135.787%0.87478%0.784SS**  trans0.9168.8145.2-54.2-176.3-17000123.8
79C29.8Very low33.4Very low121 Ų121131 Ų13182%0.81878%0.777SS**  trans81.8124.7163.8-87.50000121.3
80F35Very low33.6Very low205 Ų205134.3 Ų134.390%0.89978%0.784SS**  trans-75.8150.4155.1-59.5-96000109.6
81P41.2Very low33.8Very low128 Ų128135.8 Ų135.883%0.83179%0.789SS**  -147.4-174.494.839-22.2000115
82L39Very low33.9Very low152 Ų152134.5 Ų134.580%0.79679%0.788SS**  trans-80.2134.7-179.7-64161.7000113
83N30.8Very low34Very low134 Ų134136.2 Ų136.272%0.71780%0.798SS**  149.2135.9116-81.6-50.5000116.4
84I30.8Very low34.3Very low147 Ų147135.7 Ų135.775%0.75480%0.795SS**  trans78.2112.6135.1-70.7171.7000121
85V35.1Very low34.7Very low114 Ų114136.5 Ų136.569%0.69179%0.788SS**  trans85.7120.1139.8162.40000122.3
86E32.9Very low35.6Very low182 Ų182131.4 Ų131.485%0.8577%0.774SS**  trans57.9153.1147.3-73.9-172.3101.400122.1
87A37.2Very low37Very low87 Ų87134 Ų13472%0.71977%0.77SS**  cis-160.7161.4-11.400000111
88S33.4Very low38.4Very low119 Ų119139 Ų13983%0.83277%0.769SS**  trans164.3146150.7-1750000108.7
89G34.1Very low39.7Very low53 Ų53135.4 Ų135.455%0.54676%0.76SS.*  cis159154.4-400000111
90Y33.5Very low41.2Very low226 Ų226135.2 Ų135.289%0.88675%0.75SS**  trans68137.6179.8-54.8-85.4000116.9
91S37.2Very low42.8Very low106 Ų106132.8 Ų132.874%0.74174%0.741SS**  cis-159.8157.8-15.557.20000113.4
92N36.6Very low43.7Very low147 Ų147129.4 Ų129.479%0.78672%0.724SS**  trans65.387.4151.3-159.18.5000119.7
93V37Very low44.8Very low140 Ų140124.6 Ų124.685%0.84871%0.706SS**  trans-130.1128.3147178.70000108.2
94H40.8Very low46.4Very low171 Ų171124.6 Ų124.679%0.79270%0.702SS**  trans-82116.9179-169.465000110.1
95C40.9Very low47.9Very low95 Ų95121 Ų12164%0.64269%0.694SS**  trans-102.2123.7-177.8-171.20000110.5D97C95-D97 PolarHBondContact O-N 3.06Å
96S52.3Low49.3Very low90 Ų90122.2 Ų122.263%0.62970%0.696SS**  trans-94.279.5-171.843.70000113.9K98S96-K98 PolarHBondContact O-N 3.46Å
97D57.3Low50.8Low131 Ų131120.7 Ų120.770%0.70169%0.693SS**SBendtrans50-4.1147-63.9-51.7000122C95C95-D97 PolarHBondContact O-N 3.06Å
98K59.4Low52Low185 Ų185124.8 Ų124.880%0.80470%0.697SS**THydrogen-bonded Turntrans-95.1-4.2-173.9-65-175.6-179.9-174.80115.1S96S96-K98 PolarHBondContact O-N 3.46Å
99T60.2Low53.4Low110 Ų110126.3 Ų126.368%0.67569%0.693SS**THydrogen-bonded Turntrans-96.6-22.7-177.7-45.80000112.5
100I59.9Low54.3Low118 Ų118130.6 Ų130.661%0.60570%0.703SS**THydrogen-bonded Turntrans-86-41.8-169.5-158.1164.1000112.7A102 A103 E104I100-A102 VanDerWaalsContact C-N 3.26Å; I100-A102 PolarHBondContact O-N 2.87Å; I100-A103 WeakPolarHBondContact O-CB 3.07Å; I100-A103 PolarHBondContact O-N 2.79Å; I100-E104 PolarHBondContact O-N 3.06Å
101E68.4Low54.8Low153 Ų153123.8 Ų123.872%0.71569%0.689SS**Hα-helixtrans-57.5-39.2172.6-176.6-179.5-156.200111.7A103 A105E101-A103 VanDerWaalsContact C-N 3.26Å; E101-A103 PolarHBondContact O-N 2.74Å; E101-A105 PolarHBondContact O-N 2.98Å
102A60.9Low55.3Low58 Ų58125.5 Ų125.548%0.47970%0.697SS.*Hα-helixtrans-69.4-19.7175.600000113.8I100I100-A102 VanDerWaalsContact C-N 3.26Å; I100-A102 PolarHBondContact O-N 2.87Å
103A62.9Low55.2Low50 Ų50123.3 Ų123.341%0.41369%0.693SS.*Hα-helixtrans-83.2-41.3176.600000111.7I100 E101 A105 L106I100-A103 WeakPolarHBondContact O-CB 3.07Å; I100-A103 PolarHBondContact O-N 2.79Å; E101-A103 VanDerWaalsContact C-N 3.26Å; E101-A103 PolarHBondContact O-N 2.74Å; A103-A105 VanDerWaalsContact C-N 3.31Å; A103-A105 PolarHBondContact O-N 2.85Å; A103-L106 PolarHBondContact O-N 2.96Å
104E63.1Low55.1Low134 Ų134121.6 Ų121.663%0.62669%0.687SS**Hα-helixtrans-61.7-39.5175.7-67.3-170.1118.700111.8I100 L106 L107I100-E104 PolarHBondContact O-N 3.06Å; E104-L106 PolarHBondContact O-N 2.89Å; E104-L106 VanDerWaalsContact O-N 3.13Å; E104-L107 PolarHBondContact O-N 3.32Å; E104-L107 VanDerWaalsContact O-N 3.09Å
105A63.3Low55.1Low72 Ų72120.6 Ų120.660%0.59569%0.687SS**Hα-helixtrans-59.4-23.917700000114.3E101 A103E101-A105 PolarHBondContact O-N 2.98Å; A103-A105 VanDerWaalsContact C-N 3.31Å; A103-A105 PolarHBondContact O-N 2.85Å
106L63.3Low54.9Low139 Ų139125.6 Ų125.673%0.72869%0.692SS**Hα-helixtrans-88.5-14.9178.8-69.3173.5000113.7A103 E104A103-L106 PolarHBondContact O-N 2.96Å; E104-L106 PolarHBondContact O-N 2.89Å; E104-L106 VanDerWaalsContact O-N 3.13Å
107L64.9Low54Low151 Ų151127.8 Ų127.879%0.79169%0.693SS**Hα-helixtrans-89.3-9.4-178.4-64.7174.9000113.5E104E104-L107 PolarHBondContact O-N 3.32Å; E104-L107 VanDerWaalsContact O-N 3.09Å
108H61.6Low53Low172 Ų172127.5 Ų127.580%0.79669%0.692SS**  trans-99.810-177.7-96.1-71.4000115.4D110H108-D110 PolarHBondContact O-N 3.18Å; H108-D110 VanDerWaalsContact O-N 3.15Å
109M62.7Low51.9Low152 Ų152129 Ų12975%0.74969%0.692SS**  trans-8289.3174.4-87.1-94.156.800111.9
110D54.7Low50.6Low142 Ų142128.8 Ų128.876%0.75970%0.695SS**  trans-64.3153.8170.6-153-64.4000111.7H108 P112H108-D110 PolarHBondContact O-N 3.18Å; H108-D110 VanDerWaalsContact O-N 3.15Å; D110-P112 WeakPolarHBondContact O-CD 3.46Å
111S44.2Very low50.1Low84 Ų84128.1 Ų128.159%0.58770%0.698SS**  trans-103109.6-167.3-71.70000112S113S111-S113 PolarHBondContact O-N 3.43Å
112P46.1Very low48.5Very low141 Ų141126.5 Ų126.592%0.91670%0.699SS**  trans-72.387.2-178.529.9-35000111D110D110-P112 WeakPolarHBondContact O-CD 3.46Å
113S35.2Very low47.1Very low101 Ų101132 Ų13271%0.70672%0.715SS**  trans-117.8124.1-179.867.60000112.4S111S111-S113 PolarHBondContact O-N 3.43Å
114S35.8Very low45.7Very low104 Ų104132.8 Ų132.873%0.72772%0.721SS**  trans73.8119.3160.5-138.20000119.5
115L40.5Very low44.3Very low150 Ų150136.3 Ų136.379%0.78574%0.735SS**  53.6140.3129.8-79170.9000122.8
116R37.1Very low42.7Very low200 Ų200139.2 Ų139.276%0.75575%0.746SS**  trans100.9153.5137.5-78.3-85.8174173.5-1.6121
117E33.3Very low41.9Very low136 Ų136137.9 Ų137.964%0.63675%0.745SS**  trans60.297.8163.9-98.859.9140.600121.9
118D36Very low40.2Very low126 Ų126139.5 Ų139.567%0.67475%0.749SS**  39.8147.6111.9-16442.1000122
119R35Very low38.7Very low215 Ų215135 Ų13581%0.81174%0.737SS**  trans94.5104.9148.5-122.1175.2-175.8115.7-7.2121.6
120S33.4Very low37.2Very low107 Ų107136.3 Ų136.375%0.74874%0.741SS**  trans-40.7169.5145.5-130.20000114.8
121P50.9Low36.3Very low103 Ų103134.1 Ų134.167%0.66974%0.742SS**  cis-150.3-166.127.944.3-22.6000118.4
122V32.9Very low35.9Very low120 Ų120134.3 Ų134.373%0.72775%0.749SS**  trans74.2129.1159.5167.10000115.7
123E33.3Very low36Very low173 Ų173133.6 Ų133.681%0.80875%0.745SS**  cis-169.2174.3-7.9-119.2-178.883.600108.1
124A33.6Very low35.8Very low67 Ų67134.8 Ų134.855%0.55474%0.743SS**  cis-156.2-132.3-3.400000109.4
125F33.7Very low35.7Very low207 Ų207138.7 Ų138.791%0.90875%0.747SS**  trans59.271.9166.8-71-70.5000119.6
126T28.8Very low35.5Very low134 Ų134139.2 Ų139.282%0.82275%0.75SS**  trans-89177.1144.922.50000110.2
127P47Very low35.6Very low111 Ų111138.9 Ų138.972%0.72176%0.757SS**  cis-144.8-167.226.543.6-22.1000118.5
128Q28.6Very low35.5Very low184 Ų184137.5 Ų137.586%0.8677%0.768SS**  trans96.9135.4171.3-59.2-164.2-84.800116.9
129S31.2Very low35.4Very low78 Ų78136.1 Ų136.155%0.54577%0.774SS.*  cis-161.7148.9-23.3-154.60000110
130E30.1Very low35.5Very low179 Ų179134.5 Ų134.584%0.83678%0.778SS**  trans55.5146.3156.6-73.515410400120.4
131A35.8Very low35.6Very low96 Ų96140.1 Ų140.179%0.79378%0.783SS**  cis-157.9161.5-1300000110.2
132A35.5Very low35Very low88 Ų88141.2 Ų141.273%0.72779%0.79SS**  trans-141.6164.216800000109.7
133P48.3Very low34.9Very low127 Ų127142.9 Ų142.983%0.82580%0.795SS**  trans-131.8156.6141.936.2-25.5000113.7
134D32Very low34.9Very low126 Ų126140 Ų14067%0.67479%0.789SS**  trans-97.4-167.2-166.3-61.9-82.1000115.6
135F33.5Very low34.9Very low185 Ų185145.1 Ų145.181%0.81181%0.805SS**  trans90.3140.9155.3-49.8-63.1000116.7
136L36.9Very low35Very low162 Ų162139 Ų13985%0.84880%0.8SS**  cis-137.41647.3-77.7176.7000113.2
137H37.1Very low35.1Very low193 Ų193141.1 Ų141.189%0.89480%0.801SS**  trans-75.9144157.7-77.1-79.2000112.5
138A31.5Very low34.6Very low106 Ų106141.6 Ų141.688%0.87680%0.802SS**  trans-161.4154143.600000110.8
139A35.3Very low34.5Very low97 Ų97141.8 Ų141.880%0.80280%0.803SS**  trans-128.1136.8174.700000110.8
140M36.1Very low34.6Very low181 Ų181143.9 Ų143.989%0.89281%0.812SS**  trans-143.5168.6168.2-75.2-143.372.400112.1
141R35.6Very low34.4Very low226 Ų226143.1 Ų143.185%0.85381%0.808SS**  trans-82154.6-172.7-59.4174.2175.4119.2-2.6112.4
142P39.2Very low34Very low125 Ų125146.7 Ų146.781%0.81281%0.812SS**  trans-85.9134.5161.434.1-30.1000111.3
143D30.8Very low33.6Very low155 Ų155147.2 Ų147.283%0.82981%0.807SS**  trans-160.3137.4145.8-141.3-13.5000112.7
144V33.2Very low32.7Very low112 Ų112147 Ų14768%0.67980%0.803SS**  trans62.3144.7165.2-146.40000121.4
145I32.9Very low32.4Very low175 Ų175147 Ų14790%0.89781%0.807SS**  trans62.7134.2161.340.9176.7000122.1
146G35Very low32.2Very low78 Ų78143.1 Ų143.180%0.80480%0.804SS**  trans142.381.116100000115.3
147E32.2Very low32Very low179 Ų179142.9 Ų142.984%0.83680%0.802SS**  trans-103.7160.9164.8-70.2-169.8170.500111.2
148T36Very low31.4Very low122 Ų122142.7 Ų142.775%0.74880%0.802SS**  trans67.7131.2175.666.90000114.9V150T148-V150 HydrophobicContact CG2-CG2 4.35Å
149E26.2Very low31Very low188 Ų188145.6 Ų145.688%0.87980%0.797SS**  cis-119157.246.6-66.3170.8132.300113.1
150V34Very low31.4Very low122 Ų122146.2 Ų146.274%0.73979%0.793SS**  cis84.9107.320.1-174.80000115.7T148T148-V150 HydrophobicContact CG2-CG2 4.35Å
151E25.7Very low31Very low162 Ų162145.3 Ų145.376%0.75779%0.787SS**  trans-151.8132.3143.5-157.5-177.7-170.900112.2T153E151-T153 HydrophobicContact CG-CG2 4.15Å
152I27.7Very low31.6Very low171 Ų171140 Ų14088%0.87778%0.781SS**  trans-178.4146.5143.4-93.1157.4000106.3
153T25.9Very low30.8Very low99 Ų99139.8 Ų139.861%0.60777%0.773SS**  trans-121.9137.4-134.332.10000118.1E151E151-T153 HydrophobicContact CG-CG2 4.15Å
154V30.7Very low30.7Very low122 Ų122139.2 Ų139.274%0.73977%0.77SS**  trans60.6116.1136-178.20000120.8
155T24.6Very low30.4Very low126 Ų126142.1 Ų142.177%0.77378%0.777SS**  -175.2120.5110.339.10000113.2
156S29.8Very low31.2Very low105 Ų105138.1 Ų138.173%0.73476%0.762SS**  37.5148.6129.5-56.40000123.4
157L33.4Very low30.9Very low157 Ų157139.7 Ų139.782%0.82276%0.755SS**  cis-167.3172.90.3-117.5168.6000112.6
158E24.1Very low31Very low188 Ų188140.8 Ų140.888%0.87975%0.752SS**  trans92.4160.5158.1-134.9158.9121.500121.5
159E23.7Very low30.9Very low168 Ų168143.9 Ų143.979%0.78576%0.755SS**  trans-135-172.7-158.4-125.7-157115.600110.9
160P42.3Very low31.2Very low109 Ų109145 Ų14571%0.70876%0.757SS**  cis-135.9-166.6-5.940.4-18.8000116.9
161E28.3Very low31.1Very low163 Ų163150.5 Ų150.576%0.76276%0.764SS**  trans-51.2177.2172.3-78.6-74.812600117.9
162P47.1Very low31.2Very low113 Ų113148 Ų14873%0.73477%0.771SS**  cis-151.9172.825.946.5-25.4000122.6
163D24.3Very low31.4Very low122 Ų122143.1 Ų143.165%0.65276%0.763SS**  trans60.5115.3136.1-171.440.9000124.5
164N27Very low32Very low143 Ų143150 Ų15077%0.76578%0.778SS**  177.9147.3115.8-102.4-90.3000115.6
165E28.4Very low32Very low173 Ų173154 Ų15481%0.80879%0.786SS**  trans-115.5-172173.6-126.6-148.2146.700110.2
166P49.4Very low32.2Very low90 Ų90152.5 Ų152.558%0.58479%0.785SS**  cis-124.9-163.9-43.624.8-4000112.9
167V28.8Very low32.6Very low111 Ų111156.7 Ų156.767%0.67379%0.79SS**  148.7104129.5168.80000116.8
168R33Very low32.4Very low203 Ų203153.3 Ų153.377%0.76679%0.785SS**  trans59122.6137.5-60.9176.4-173.4165.20.6124.1
169K34.2Very low33Very low186 Ų186150.3 Ų150.381%0.80978%0.782SS**  61.2132.6128.2-55.4170.4-174.4179.80118
170K32.6Very low33.2Very low211 Ų211150.7 Ų150.792%0.91778%0.784SS**  -173.7176.761.4-164170.2177-178.50112.2
171R32.6Very low32.6Very low239 Ų239150.4 Ų150.490%0.90279%0.785SS**  trans-67.9166.6-176.8-66.2174.6163.6-170.1-4.8116.6
172A28.4Very low32.7Very low108 Ų108147.4 Ų147.489%0.89378%0.782SS**  trans86.9151.716100000117.1
173G31Very low32.1Very low69 Ų69149.6 Ų149.671%0.71179%0.786SS**  cis151.2129.4-15.900000116.4
174R38.4Very low32.2Very low243 Ų243149.1 Ų149.192%0.91779%0.791SS**  trans55.3147.8162-71.3-175.5171.8-176.3-3.1119.8
175K31.5Very low32.8Very low208 Ų208150 Ų15090%0.90480%0.797SS**  trans69.3162.4165.3-68.6-177.1177.9-1760115.9
176A27.5Very low32.8Very low93 Ų93145.3 Ų145.377%0.76979%0.794SS**  cis-166164.2-32.700000108.8
177K37.7Very low32.5Very low193 Ų193147.8 Ų147.884%0.83981%0.808SS**  trans-91.6147.6176.2-163.1170.9-175.31740111.7
178A30.1Very low33.2Very low87 Ų87147.8 Ų147.872%0.71981%0.81SS**  trans-149167.5171.600000108.8
179P37.3Very low33Very low124 Ų124144.5 Ų144.581%0.80581%0.808SS**  cis-123.3-159.1-1.342.3-27.3000114
180Q28.4Very low33.5Very low177 Ų177141.9 Ų141.983%0.82780%0.802SS**  trans-39.7170.7168.1-53.2-79.4-79.200115.9
181S29.5Very low33.5Very low103 Ų103136.6 Ų136.672%0.7279%0.792SS**  cis-151-176.516.662.50000114.1
182S29.9Very low34.1Very low100 Ų100133.3 Ų133.370%0.69978%0.784SS**  trans-65.2178.6161.945.50000112.1
183I33.8Very low34.7Very low159 Ų159135.2 Ų135.282%0.81577%0.772SS**  cis-153.3157.732.6-52.7160.2000111.4
184S26.6Very low35.7Very low111 Ų111135.9 Ų135.978%0.77676%0.756SS**  trans133.9154.3135.9-153.60000116.7
185N40.5Very low35.9Very low163 Ų163130.2 Ų130.287%0.87274%0.738SS**  trans-101.9160-173.5-66-25.6000112.1
186G28.7Very low37Very low74 Ų74125.4 Ų125.476%0.76373%0.728SS**  trans-178.472.7175.400000114
187T43.1Very low37.5Very low141 Ų141132 Ų13287%0.86573%0.733SS**  trans-63.8132.3163.2-37.50000108.2
188P43.1Very low38.2Very low112 Ų112131.1 Ų131.173%0.72773%0.732SS**  -149.616899.139.7-23.5000115.7
189D27.9Very low39.2Very low133 Ų133130.7 Ų130.771%0.71174%0.736SS**  trans54.7131.9147.5-16441.4000121.9S191D189-S191 PolarHBondContact O-N 3.15Å
190L45.3Very low39.6Very low132 Ų132134.5 Ų134.569%0.69174%0.74SS**  trans-104.669-173.2-68.7-179.7000112.6F192L190-F192 HydrophobicContact CB-CD2 4.19Å; L190-F192 HydrophobicContact CB-CE2 3.71Å; L190-F192 HydrophobicContact CB-CZ 4.13Å; L190-F192 HydrophobicContact CD1-CE2 4.11Å; L190-F192 HydrophobicContact CD1-CZ 4.3Å; L190-F192 HydrophobicContact CD2-CE2 4.46Å; L190-F192 HydrophobicContact CD2-CZ 4.05Å; L190-F192 HydrophobicContact CG-CE2 4.31Å; L190-F192 HydrophobicContact CG-CZ 4.4Å; L190-F192 WeakPolarHBondContact O-CD2 3.24Å; L190-F192 PolarHBondContact O-N 2.87Å
191S31.7Very low40.5Very low100 Ų100129.1 Ų129.170%0.69973%0.725SS**  trans-75.477.1179.841.60000113.7D189 K193D189-S191 PolarHBondContact O-N 3.15Å; S191-K193 PolarHBondContact O-N 3.26Å
192F44.7Very low41.9Very low169 Ų169126.5 Ų126.574%0.74171%0.714SS**  trans-78.880.5-177.9-66.3-59.1000114.9L190 K194L190-F192 HydrophobicContact CB-CD2 4.19Å; L190-F192 HydrophobicContact CB-CE2 3.71Å; L190-F192 HydrophobicContact CB-CZ 4.13Å; L190-F192 HydrophobicContact CD1-CE2 4.11Å; L190-F192 HydrophobicContact CD1-CZ 4.3Å; L190-F192 HydrophobicContact CD2-CE2 4.46Å; L190-F192 HydrophobicContact CD2-CZ 4.05Å; L190-F192 HydrophobicContact CG-CE2 4.31Å; L190-F192 HydrophobicContact CG-CZ 4.4Å; L190-F192 WeakPolarHBondContact O-CD2 3.24Å; L190-F192 PolarHBondContact O-N 2.87Å; F192-K194 PolarHBondContact O-N 3.03Å
193K42.6Very low43.2Very low148 Ų148126.8 Ų126.864%0.64372%0.716SS**  trans-81.175.1-177.5-139.5163.9-174.31630115.1S191 D358S191-K193 PolarHBondContact O-N 3.26Å; K193-D358 WeakPolarHBondContact CE-OD2 3.45Å; K193-D358 IonicContact NZ-OD2 3.91Å; K193-D358 PolarHBondContact NZ-OD2 3.15Å
194K51.3Low44.8Very low83 Ų83124.4 Ų124.436%0.36171%0.709SS.*  trans42.2145.7145.7-96.4-176.4166.6-158.50124.4F192 A355 A356F192-K194 PolarHBondContact O-N 3.03Å; K194-A355 WeakPolarHBondContact CD-O 3.35Å; K194-A355 PolarHBondContact NZ-O 3.19Å; K194-A355 VanDerWaalsContact NZ-O 3.15Å; K194-A356 VanDerWaalsContact CD-C 3.46Å; K194-A356 VanDerWaalsContact NZ-C 3.33Å; K194-A356 PolarHBondContact NZ-O 3.2Å
195K43.4Very low47.6Very low124 Ų124120.4 Ų120.454%0.53968%0.68SS.*  trans80.3156.2150.3-72.8-80.1176.9164.10117.3S354 A355K195-S354 WeakPolarHBondContact CE-O 3.43Å; K195-S354 PolarHBondContact NZ-O 3.09Å; K195-A355 VanDerWaalsContact CE-O 3.3Å; K195-A355 WeakPolarHBondContact CE-O 3.05Å; K195-A355 WeakPolarHBondContact CG-O 3.48Å
196P53.4Low50.2Low107 Ų107118.6 Ų118.670%0.69566%0.662SS**  -111.1168-129.341.1-37.5000115.4
197R38.5Very low53.3Low233 Ų233115.1 Ų115.188%0.87963%0.626SS**  trans-150116.8156.5-164.8171.5-173121.81.1110.3
198E52.4Low55.8Low174 Ų174111.4 Ų111.481%0.81360%0.596SS**  trans-64.1156.8179.8-61.298.5135.700112.8
199G50.8Low58.1Low78 Ų78108.8 Ų108.880%0.80457%0.574SS**SBendtrans97.23.6160.200000118.6
200K44.9Very low61.3Low204 Ų204103.1 Ų103.189%0.88754%0.543SS*.SBendtrans-141.38.3177.7-137.477.4176.3-173.10117.9
201A49.3Very low63.6Low63 Ų6396.9 Ų96.952%0.52151%0.51SS..  trans-94.7-0.2-173.600000116.1S203A201-S203 PolarHBondContact O-N 3.07Å
202G58.3Low66.5Low48 Ų4892.5 Ų92.550%0.49548%0.479SS..THydrogen-bonded Turntrans-71.325.3-164.300000118.6
203S56.5Low68.7Low106 Ų10688.3 Ų88.374%0.74146%0.464SS*.THydrogen-bonded Turntrans-95.4-44-172.5-167.50000114.8A201A201-S203 PolarHBondContact O-N 3.07Å
204T66.7Low71Confident110 Ų11081.5 Ų81.568%0.67544%0.435SS*.THydrogen-bonded Turntrans-134.6-6.5-163.950.20000116.7Y206T204-Y206 PolarHBondContact O-N 3Å
205T86.7Confident72.9Confident26 Ų2677.8 Ų77.816%0.1642%0.419CS..  trans-59.1133.5-178.557.50000111.9E209 W247 H250T205-E209 WeakPolarHBondContact CA-OE2 3.37Å; T205-W247 WeakPolarHBondContact O-CH2 3.42Å; T205-H250 WeakPolarHBondContact CB-NE2 3.48Å; T205-H250 WeakPolarHBondContact CG2-NE2 3.48Å; T205-H250 PolarHBondContact OG1-CD2 2.87Å; T205-H250 PolarHBondContact OG1-NE2 2.77Å
206Y93.9Very high74.9Confident125 Ų12573.5 Ų73.549%0.4940%0.401SS..  trans-80.2160.6170.7-63.8-67.5000111.2T204 W208 E209 F210 W247T204-Y206 PolarHBondContact O-N 3Å; Y206-W208 VanDerWaalsContact C-N 3.34Å; Y206-W208 AromaticContact CD2-NE1 3.84Å; Y206-W208 AromaticContact CG-NE1 3.83Å; Y206-E209 WeakPolarHBondContact CD2-OE1 3.16Å; Y206-E209 PolarHBondContact N-OE2 2.69Å; Y206-E209 PolarHBondContact O-N 3.36Å; Y206-F210 PolarHBondContact O-N 2.6Å; Y206-W247 VanDerWaalsContact C-CH2 3.45Å
207L95Very high76.4Confident1 Ų172.5 Ų72.51%0.00539%0.39CS..Hα-helixtrans-67.7-36.1179.817167.1000111.6E209 F210 L211 W247 M261 A264 L265 Y268L207-E209 VanDerWaalsContact C-N 3.34Å; L207-E209 PolarHBondContact O-N 3.15Å; L207-F210 HydrophobicContact CD1-CD1 4.12Å; L207-F210 PolarHBondContact O-N 2.75Å; L207-L211 HydrophobicContact CD1-CD1 3.93Å; L207-L211 HydrophobicContact CD1-CD2 4.41Å; L207-L211 HydrophobicContact CD1-CG 3.93Å; L207-L211 HydrophobicContact CD2-CD1 4.38Å; L207-L211 HydrophobicContact CG-CD1 3.79Å; L207-L211 HydrophobicContact CG-CG 4.24Å; L207-L211 WeakPolarHBondContact O-CB 3.27Å; L207-L211 VanDerWaalsContact O-CG 3.23Å; L207-L211 WeakPolarHBondContact O-CG 3.22Å; L207-L211 PolarHBondContact O-N 3.27Å; L207-W247 VanDerWaalsContact CA-CH2 3.48Å; L207-W247 HydrophobicContact CB-CH2 4Å; L207-W247 HydrophobicContact CB-CZ2 3.61Å; L207-W247 HydrophobicContact CD1-CD2 3.78Å; L207-W247 HydrophobicContact CD1-CE3 4.31Å; L207-W247 HydrophobicContact CD1-CG 3.91Å; L207-W247 HydrophobicContact CD1-CZ2 4.2Å; L207-W247 HydrophobicContact CG-CZ2 4.5Å; L207-M261 HydrophobicContact CD1-CG 3.79Å; L207-M261 HydrophobicContact CD1-SD 3.72Å; L207-M261 HydrophobicContact CD2-CG 3.48Å; L207-M261 VanDerWaalsContact CD2-CG 3.48Å; L207-M261 HydrophobicContact CD2-SD 4.38Å; L207-M261 HydrophobicContact CG-CG 4.3Å; L207-A264 HydrophobicContact CD2-CB 3.73Å; L207-L265 HydrophobicContact CD2-CD2 3.71Å; L207-L265 HydrophobicContact CD2-CG 3.9Å; L207-L265 HydrophobicContact CG-CD2 4.41Å; L207-Y268 HydrophobicContact CB-CE2 3.91Å; L207-Y268 HydrophobicContact CD2-CE2 4.27Å; L207-Y268 HydrophobicContact CG-CE2 4.29Å; L207-Y268 PolarHBondContact N-OH 3.17Å; L207-Y268 VanDerWaalsContact N-OH 3.13Å
208W94.4Very high77.9Confident64 Ų6468.1 Ų68.124%0.24238%0.377CS..Hα-helixtrans-65.9-36179.572.3-94.3000112.3Y206 L211 L212 Y268 I273 F286Y206-W208 VanDerWaalsContact C-N 3.34Å; Y206-W208 AromaticContact CD2-NE1 3.84Å; Y206-W208 AromaticContact CG-NE1 3.83Å; W208-L211 PolarHBondContact O-N 3.34Å; W208-L212 WeakPolarHBondContact O-CB 3.48Å; W208-L212 PolarHBondContact O-N 3.41Å; W208-Y268 HydrophobicContact CB-CD2 4.25Å; W208-Y268 HydrophobicContact CB-CE2 3.87Å; W208-Y268 AromaticContact CD1-CE1 3.89Å; W208-Y268 AromaticContact CD1-CZ 3.73Å; W208-I273 HydrophobicContact CB-CG2 4.12Å; W208-I273 HydrophobicContact CD2-CG2 4.27Å; W208-I273 HydrophobicContact CG-CG2 3.95Å; W208-F286 HydrophobicContact CB-CE1 4.41Å; W208-F286 HydrophobicContact CE3-CE1 4.36Å
209E92.9Very high78.7Confident57 Ų5765.5 Ų65.527%0.26637%0.369SS..Hα-helixtrans-64-52173.5-61.7168.3158.800110.2T205 Y206 L207 L211 L212 D213T205-E209 WeakPolarHBondContact CA-OE2 3.37Å; Y206-E209 WeakPolarHBondContact CD2-OE1 3.16Å; Y206-E209 PolarHBondContact N-OE2 2.69Å; Y206-E209 PolarHBondContact O-N 3.36Å; L207-E209 VanDerWaalsContact C-N 3.34Å; L207-E209 PolarHBondContact O-N 3.15Å; E209-L211 VanDerWaalsContact C-N 3.28Å; E209-L211 PolarHBondContact O-N 2.85Å; E209-L212 WeakPolarHBondContact O-CA 3.22Å; E209-L212 WeakPolarHBondContact O-CB 3.45Å; E209-L212 PolarHBondContact O-N 2.94Å; E209-D213 PolarHBondContact O-N 2.91Å
210F93.9Very high79.4Confident14 Ų1463 Ų636%0.06134%0.338CS..Hα-helixtrans-58.3-37.3177.3166.3-92.2000113Y206 L207 L214 L246 W247 H250Y206-F210 PolarHBondContact O-N 2.6Å; L207-F210 HydrophobicContact CD1-CD1 4.12Å; L207-F210 PolarHBondContact O-N 2.75Å; F210-L214 HydrophobicContact CE1-CD2 4.18Å; F210-L214 HydrophobicContact CZ-CD2 4.32Å; F210-L214 WeakPolarHBondContact O-CB 3.42Å; F210-L214 PolarHBondContact O-N 3.16Å; F210-L246 HydrophobicContact CE2-CG 4.25Å; F210-L246 HydrophobicContact CZ-CB 4.07Å; F210-L246 HydrophobicContact CZ-CD2 4.09Å; F210-L246 HydrophobicContact CZ-CG 3.85Å; F210-W247 HydrophobicContact CB-CE3 3.72Å; F210-W247 HydrophobicContact CB-CH2 4.43Å; F210-W247 HydrophobicContact CB-CZ3 3.47Å; F210-W247 VanDerWaalsContact CB-CZ3 3.47Å; F210-W247 HydrophobicContact CD1-CB 4.2Å; F210-W247 HydrophobicContact CD1-CD2 4.18Å; F210-W247 AromaticContact CD1-CE3 3.57Å; F210-W247 HydrophobicContact CD1-CE3 3.57Å; F210-W247 HydrophobicContact CD1-CG 4.48Å; F210-W247 HydrophobicContact CD1-CZ3 4.22Å; F210-W247 AromaticContact CD2-CE3 3.89Å; F210-W247 HydrophobicContact CD2-CE3 3.89Å; F210-W247 HydrophobicContact CD2-CZ3 4.29Å; F210-W247 HydrophobicContact CE1-CB 3.69Å; F210-W247 HydrophobicContact CE1-CE3 4.16Å; F210-W247 HydrophobicContact CE1-CG 4.43Å; F210-W247 HydrophobicContact CE2-CE3 4.42Å; F210-W247 HydrophobicContact CG-CD2 4.45Å; F210-W247 AromaticContact CG-CE3 3.42Å; F210-W247 HydrophobicContact CG-CE3 3.42Å; F210-W247 VanDerWaalsContact CG-CE3 3.42Å; F210-W247 AromaticContact CG-CZ3 3.74Å; F210-W247 HydrophobicContact CG-CZ3 3.74Å; F210-W247 HydrophobicContact CZ-CB 4.06Å; F210-H250 HydrophobicContact CD2-CB 4.19Å; F210-H250 AromaticContact CD2-CG 3.93Å; F210-H250 HydrophobicContact CE2-CB 4Å
211L94.3Very high80.5Confident0 Ų054.4 Ų54.40%030%0.303CS..Hα-helixtrans-70.4-32.7175.7-69.1169000112.3L207 W208 E209 L215 I225 V243 L265L207-L211 HydrophobicContact CD1-CD1 3.93Å; L207-L211 HydrophobicContact CD1-CD2 4.41Å; L207-L211 HydrophobicContact CD1-CG 3.93Å; L207-L211 HydrophobicContact CD2-CD1 4.38Å; L207-L211 HydrophobicContact CG-CD1 3.79Å; L207-L211 HydrophobicContact CG-CG 4.24Å; L207-L211 WeakPolarHBondContact O-CB 3.27Å; L207-L211 VanDerWaalsContact O-CG 3.23Å; L207-L211 WeakPolarHBondContact O-CG 3.22Å; L207-L211 PolarHBondContact O-N 3.27Å; W208-L211 PolarHBondContact O-N 3.34Å; E209-L211 VanDerWaalsContact C-N 3.28Å; E209-L211 PolarHBondContact O-N 2.85Å; L211-L215 VanDerWaalsContact O-CB 3.31Å; L211-L215 WeakPolarHBondContact O-CB 3.39Å; L211-L215 WeakPolarHBondContact O-CD1 3.1Å; L211-L215 VanDerWaalsContact O-CG 3.27Å; L211-L215 WeakPolarHBondContact O-CG 3.06Å; L211-L215 PolarHBondContact O-N 2.99Å; L211-I225 HydrophobicContact CB-CD1 4.4Å; L211-I225 HydrophobicContact CD2-CD1 3.69Å; L211-V243 HydrophobicContact CD2-CG1 3.61Å; L211-L265 HydrophobicContact CD1-CD2 3.73Å
212L91.9Very high82Confident9 Ų955 Ų555%0.04730%0.302CS..Hα-helixtrans-70.7-41174-173.376.8000111.8W208 E209 L215 Q216 W227 F286 P290 I293W208-L212 WeakPolarHBondContact O-CB 3.48Å; W208-L212 PolarHBondContact O-N 3.41Å; E209-L212 WeakPolarHBondContact O-CA 3.22Å; E209-L212 WeakPolarHBondContact O-CB 3.45Å; E209-L212 PolarHBondContact O-N 2.94Å; L212-L215 PolarHBondContact O-N 3.36Å; L212-Q216 WeakPolarHBondContact O-CG 3.02Å; L212-Q216 PolarHBondContact O-N 2.85Å; L212-Q216 PolarHBondContact O-NE2 2.82Å; L212-W227 HydrophobicContact CD1-CH2 4.2Å; L212-W227 HydrophobicContact CD1-CZ2 4.31Å; L212-F286 HydrophobicContact CB-CZ 4.21Å; L212-F286 HydrophobicContact CD1-CE2 4.2Å; L212-F286 HydrophobicContact CD1-CZ 4.13Å; L212-P290 HydrophobicContact CD1-CB 4.42Å; L212-P290 HydrophobicContact CD1-CG 3.99Å; L212-P290 HydrophobicContact CD2-CB 3.73Å; L212-P290 HydrophobicContact CD2-CG 3.73Å; L212-I293 HydrophobicContact CD1-CD1 4.33Å; L212-I293 HydrophobicContact CD1-CG1 4.09Å
213D90.7Very high83.4Confident80 Ų8060.8 Ų60.843%0.42831%0.309SS..Hα-helixtrans-61.8-47.1172.8-69.1-24.8000110.4E209 L215 Q216 D217E209-D213 PolarHBondContact O-N 2.91Å; D213-L215 PolarHBondContact O-N 3.41Å; D213-Q216 WeakPolarHBondContact O-CA 3.43Å; D213-Q216 WeakPolarHBondContact O-CB 3.3Å; D213-Q216 PolarHBondContact O-N 3.34Å; D213-D217 PolarHBondContact O-N 2.86Å
214L91.5Very high85Confident5 Ų558.8 Ų58.83%0.02629%0.285CS..Hα-helixtrans-61.2-28.1176.6-165.866000113.1F210 Q216 T220 C221 I225 V243 L246F210-L214 HydrophobicContact CE1-CD2 4.18Å; F210-L214 HydrophobicContact CZ-CD2 4.32Å; F210-L214 WeakPolarHBondContact O-CB 3.42Å; F210-L214 PolarHBondContact O-N 3.16Å; L214-Q216 VanDerWaalsContact C-N 3.32Å; L214-T220 HydrophobicContact CD1-CG2 3.37Å; L214-T220 HydrophobicContact CG-CG2 4.35Å; L214-C221 PolarHBondContact O-SG 3.28Å; L214-C221 VanDerWaalsContact O-SG 3.41Å; L214-I225 HydrophobicContact CB-CG2 4.25Å; L214-I225 HydrophobicContact CD2-CB 4.37Å; L214-I225 HydrophobicContact CD2-CG2 3.89Å; L214-I225 HydrophobicContact CG-CG2 3.7Å; L214-V243 HydrophobicContact CD2-CG1 4.03Å; L214-V243 HydrophobicContact CD2-CG2 4.06Å; L214-L246 HydrophobicContact CD1-CD2 3.37Å; L214-L246 HydrophobicContact CD2-CD2 4.36Å
215L90.6Very high86.4Confident6 Ų653.5 Ų53.53%0.03125%0.253CS..THydrogen-bonded Turntrans-81.9-4.6174.5-84.1164.6000114.2L211 L212 D213 I225 K226 W227 F235 F286L211-L215 VanDerWaalsContact O-CB 3.31Å; L211-L215 WeakPolarHBondContact O-CB 3.39Å; L211-L215 WeakPolarHBondContact O-CD1 3.1Å; L211-L215 VanDerWaalsContact O-CG 3.27Å; L211-L215 WeakPolarHBondContact O-CG 3.06Å; L211-L215 PolarHBondContact O-N 2.99Å; L212-L215 PolarHBondContact O-N 3.36Å; D213-L215 PolarHBondContact O-N 3.41Å; L215-I225 HydrophobicContact CD1-CD1 4.07Å; L215-I225 HydrophobicContact CD1-CG1 4.44Å; L215-I225 HydrophobicContact CD2-CB 4.46Å; L215-I225 HydrophobicContact CD2-CD1 4.42Å; L215-I225 HydrophobicContact CD2-CG1 3.97Å; L215-I225 HydrophobicContact CD2-CG2 3.93Å; L215-I225 HydrophobicContact CG-CD1 3.98Å; L215-I225 HydrophobicContact CG-CG1 4.08Å; L215-I225 HydrophobicContact CG-CG2 3.94Å; L215-K226 VanDerWaalsContact CD2-C 3.46Å; L215-W227 HydrophobicContact CB-CH2 4.48Å; L215-W227 HydrophobicContact CB-CZ2 3.65Å; L215-W227 HydrophobicContact CD1-CH2 3.84Å; L215-W227 HydrophobicContact CD1-CZ2 3.82Å; L215-W227 HydrophobicContact CD1-CZ3 4.19Å; L215-W227 HydrophobicContact CD2-CD2 4.01Å; L215-W227 HydrophobicContact CD2-CG 4.11Å; L215-W227 HydrophobicContact CD2-CZ2 4.36Å; L215-W227 HydrophobicContact CG-CZ2 4.15Å; L215-W227 PolarHBondContact O-NE1 3.24Å; L215-W227 VanDerWaalsContact O-NE1 3.07Å; L215-F235 HydrophobicContact CD1-CB 3.7Å; L215-F235 HydrophobicContact CD1-CD1 4.11Å; L215-F235 HydrophobicContact CD1-CD2 3.91Å; L215-F235 HydrophobicContact CD1-CG 3.65Å; L215-F235 HydrophobicContact CD2-CB 4.08Å; L215-F286 HydrophobicContact CD1-CE2 4.12Å
216Q86.9Confident86.7Confident34 Ų3456.6 Ų56.616%0.15926%0.264CS..THydrogen-bonded Turntrans-104.6-14171.4-67.9166.492.700112.5L212 D213 L214 K218 I296L212-Q216 WeakPolarHBondContact O-CG 3.02Å; L212-Q216 PolarHBondContact O-N 2.85Å; L212-Q216 PolarHBondContact O-NE2 2.82Å; D213-Q216 WeakPolarHBondContact O-CA 3.43Å; D213-Q216 WeakPolarHBondContact O-CB 3.3Å; D213-Q216 PolarHBondContact O-N 3.34Å; L214-Q216 VanDerWaalsContact C-N 3.32Å; Q216-K218 PolarHBondContact O-N 3.23Å; Q216-I296 WeakPolarHBondContact O-CD1 3.44Å
217D83.4Confident86.7Confident85 Ų8552.2 Ų52.246%0.45525%0.247SC..  trans-77.6100.8178.6-82.5-23000112.3D213 N219 T220 C221D213-D217 PolarHBondContact O-N 2.86Å; D217-N219 PolarHBondContact O-N 2.92Å; D217-T220 WeakPolarHBondContact CB-OG1 3.45Å; D217-T220 PolarHBondContact O-N 3.3Å; D217-C221 PolarHBondContact O-N 3.21Å
218K70.8Confident86.6Confident142 Ų14254.8 Ų54.862%0.61726%0.263SS*.THydrogen-bonded Turntrans-48.5-32.3176.7-65.9-151.6-177.7-149.90114.6Q216 T220 I296Q216-K218 PolarHBondContact O-N 3.23Å; K218-T220 VanDerWaalsContact C-N 3.34Å; K218-I296 HydrophobicContact CD-CG2 3.97Å; K218-I296 HydrophobicContact CG-CD1 3.82Å; K218-I296 HydrophobicContact CG-CG1 4.44Å; K218-I296 HydrophobicContact CG-CG2 3.99Å
219N69Low86.5Confident119 Ų11955.2 Ų55.264%0.63627%0.267SS*.THydrogen-bonded Turntrans-86.9-8.1-174.2-60.95000112.9D217 V351D217-N219 PolarHBondContact O-N 2.92Å; N219-V351 PolarHBondContact ND2-O 3.13Å
220T65.9Low86.3Confident26 Ų2656.2 Ų56.216%0.1627%0.269CS..THydrogen-bonded Turntrans-122.5-34.3-166.5-42.70000110.9L214 D217 K218 R223 Y224 L246L214-T220 HydrophobicContact CD1-CG2 3.37Å; L214-T220 HydrophobicContact CG-CG2 4.35Å; D217-T220 WeakPolarHBondContact CB-OG1 3.45Å; D217-T220 PolarHBondContact O-N 3.3Å; K218-T220 VanDerWaalsContact C-N 3.34Å; T220-R223 PolarHBondContact O-N 3.04Å; T220-Y224 HydrophobicContact CG2-CD2 3.58Å; T220-Y224 HydrophobicContact CG2-CE2 4.13Å; T220-Y224 WeakPolarHBondContact O-CD2 3.4Å; T220-Y224 PolarHBondContact O-N 2.98Å; T220-L246 HydrophobicContact CG2-CD2 4.34Å
221C68.3Low86Confident23 Ų2361.6 Ų61.616%0.15529%0.294CS..THydrogen-bonded Turntrans-67.9154.9150-70.90000110.8L214 D217 I225L214-C221 PolarHBondContact O-SG 3.28Å; L214-C221 VanDerWaalsContact O-SG 3.41Å; D217-C221 PolarHBondContact O-N 3.21Å; C221-I225 WeakPolarHBondContact CA-O 3.38Å; C221-I225 PolarHBondContact SG-O 3.04Å; C221-I225 VanDerWaalsContact SG-O 3.36Å
222P80.3Confident85.9Confident75 Ų7566.9 Ų66.949%0.48732%0.317SS..THydrogen-bonded Turncis-80.92.5-17.435.4-35.9000112.8Y224 I225 K226 V238P222-Y224 PolarHBondContact O-N 2.92Å; P222-I225 CarbonylContact C-O 3.41Å; P222-I225 WeakPolarHBondContact CA-O 3.4Å; P222-K226 HydrophobicContact CB-CB 3.97Å; P222-K226 HydrophobicContact CB-CD 4.03Å; P222-V238 WeakPolarHBondContact O-CG2 3.39Å
223R87.7Confident85.9Confident170 Ų17066.5 Ų66.564%0.64232%0.315SS*.THydrogen-bonded Turntrans-61.4-38.6-165.7-176.4174.9178.3172.40.5114.3T220T220-R223 PolarHBondContact O-N 3.04Å
224Y90.9Very high86.1Confident63 Ų6363.5 Ų63.525%0.24730%0.299CS..THydrogen-bonded Turntrans-113.7-36.3-173.9-53.9-64.8000112.8T220 P222 V238 D239 A242 V243T220-Y224 HydrophobicContact CG2-CD2 3.58Å; T220-Y224 HydrophobicContact CG2-CE2 4.13Å; T220-Y224 WeakPolarHBondContact O-CD2 3.4Å; T220-Y224 PolarHBondContact O-N 2.98Å; P222-Y224 PolarHBondContact O-N 2.92Å; Y224-V238 PolarHBondContact O-N 3.44Å; Y224-D239 HydrophobicContact CD1-CB 4.26Å; Y224-D239 PolarHBondContact O-N 2.94Å; Y224-D239 VanDerWaalsContact O-N 3.11Å; Y224-A242 HydrophobicContact CD1-CB 3.28Å; Y224-A242 HydrophobicContact CE1-CB 3.55Å; Y224-A242 HydrophobicContact CG-CB 4.19Å; Y224-V243 VanDerWaalsContact O-CG2 3.32Å; Y224-V243 WeakPolarHBondContact O-CG2 3.3Å
225I94.7Very high86.3Confident0 Ų063.2 Ų63.20%030%0.297CS..EExtended strand (participates in β ladder)trans-143.1152.7174.6-158.3166.8000107.8L211 L214 L215 C221 P222 F235 K236 L237 V243L211-I225 HydrophobicContact CB-CD1 4.4Å; L211-I225 HydrophobicContact CD2-CD1 3.69Å; L214-I225 HydrophobicContact CB-CG2 4.25Å; L214-I225 HydrophobicContact CD2-CB 4.37Å; L214-I225 HydrophobicContact CD2-CG2 3.89Å; L214-I225 HydrophobicContact CG-CG2 3.7Å; L215-I225 HydrophobicContact CD1-CD1 4.07Å; L215-I225 HydrophobicContact CD1-CG1 4.44Å; L215-I225 HydrophobicContact CD2-CB 4.46Å; L215-I225 HydrophobicContact CD2-CD1 4.42Å; L215-I225 HydrophobicContact CD2-CG1 3.97Å; L215-I225 HydrophobicContact CD2-CG2 3.93Å; L215-I225 HydrophobicContact CG-CD1 3.98Å; L215-I225 HydrophobicContact CG-CG1 4.08Å; L215-I225 HydrophobicContact CG-CG2 3.94Å; C221-I225 WeakPolarHBondContact CA-O 3.38Å; C221-I225 PolarHBondContact SG-O 3.04Å; C221-I225 VanDerWaalsContact SG-O 3.36Å; P222-I225 CarbonylContact C-O 3.41Å; P222-I225 WeakPolarHBondContact CA-O 3.4Å; I225-F235 HydrophobicContact CD1-CD2 3.83Å; I225-F235 HydrophobicContact CD1-CE2 4.07Å; I225-F235 HydrophobicContact CG1-CD2 4.12Å; I225-K236 CarbonylContact C-O 3.51Å; I225-K236 WeakPolarHBondContact CA-O 3.27Å; I225-K236 WeakPolarHBondContact CG1-O 3.31Å; I225-L237 HydrophobicContact CD1-CD1 3.67Å; I225-L237 HydrophobicContact CD1-CG 4.17Å; I225-L237 HydrophobicContact CG1-CD1 4Å; I225-L237 HydrophobicContact CG1-CG 4.29Å; I225-V243 HydrophobicContact CB-CG2 4.38Å
226K93.4Very high86.5Confident91 Ų9166.7 Ų66.740%0.39631%0.312SS..EExtended strand (participates in β ladder)trans-152.9155.1170.970.4175.4-166.51660112.6L215 P222 F235 K236 V238L215-K226 VanDerWaalsContact CD2-C 3.46Å; P222-K226 HydrophobicContact CB-CB 3.97Å; P222-K226 HydrophobicContact CB-CD 4.03Å; K226-F235 CarbonylContact O-C 3.58Å; K226-F235 VanDerWaalsContact O-CA 3.28Å; K226-F235 WeakPolarHBondContact O-CA 3.37Å; K226-F235 WeakPolarHBondContact O-CB 3.47Å; K226-K236 PolarHBondContact N-O 3.46Å; K226-K236 PolarHBondContact O-N 2.92Å; K226-V238 HydrophobicContact CD-CG2 4.3Å; K226-V238 HydrophobicContact CG-CG2 3.96Å
227W93.4Very high87Confident32 Ų3265.1 Ų65.112%0.12131%0.305CS..EExtended strand (participates in β ladder)trans-64.4144.3162.4-62.3104.3000110L212 L215 R230 F235 F286 M289 I293L212-W227 HydrophobicContact CD1-CH2 4.2Å; L212-W227 HydrophobicContact CD1-CZ2 4.31Å; L215-W227 HydrophobicContact CB-CH2 4.48Å; L215-W227 HydrophobicContact CB-CZ2 3.65Å; L215-W227 HydrophobicContact CD1-CH2 3.84Å; L215-W227 HydrophobicContact CD1-CZ2 3.82Å; L215-W227 HydrophobicContact CD1-CZ3 4.19Å; L215-W227 HydrophobicContact CD2-CD2 4.01Å; L215-W227 HydrophobicContact CD2-CG 4.11Å; L215-W227 HydrophobicContact CD2-CZ2 4.36Å; L215-W227 HydrophobicContact CG-CZ2 4.15Å; L215-W227 PolarHBondContact O-NE1 3.24Å; L215-W227 VanDerWaalsContact O-NE1 3.07Å; W227-R230 HydrophobicContact CB-CB 4.25Å; W227-R230 HydrophobicContact CD2-CB 4.47Å; W227-R230 HydrophobicContact CD2-CG 4.46Å; W227-R230 HydrophobicContact CG-CB 4.26Å; W227-R230 HydrophobicContact CG-CG 4.48Å; W227-F235 HydrophobicContact CE3-CB 3.99Å; W227-F235 HydrophobicContact CZ3-CB 4.19Å; W227-F235 HydrophobicContact CZ3-CD1 4.34Å; W227-F286 AromaticContact CH2-CD2 3.97Å; W227-F286 HydrophobicContact CH2-CD2 3.97Å; W227-F286 AromaticContact CH2-CE2 3.85Å; W227-F286 HydrophobicContact CH2-CE2 3.85Å; W227-F286 HydrophobicContact CZ3-CD2 4.05Å; W227-F286 HydrophobicContact CZ3-CE2 4.2Å; W227-M289 HydrophobicContact CH2-CE 3.63Å; W227-M289 HydrophobicContact CH2-SD 4.49Å; W227-M289 HydrophobicContact CZ3-CE 3.81Å; W227-M289 HydrophobicContact CZ3-SD 4.49Å; W227-I293 HydrophobicContact CH2-CD1 4.35Å; W227-I293 HydrophobicContact CZ2-CD1 4.33Å
228T93.3Very high87.6Confident56 Ų5664.6 Ų64.634%0.34430%0.304SS..EExtended strand (participates in β ladder)trans-116.9-28.5169.951.30000112.2I234 K236T228-I234 PolarHBondContact N-O 2.95Å; T228-I234 WeakPolarHBondContact OG1-CG2 3.49Å; T228-I234 PolarHBondContact OG1-O 3.05Å; T228-K236 HydrophobicContact CG2-CB 3.71Å
229Q91.9Very high88.8Confident72 Ų7260.8 Ų60.834%0.33629%0.291SS..EExtended strand (participates in β ladder)trans-149.392.7170.1-95.216181.800105.2E231 K232 G233 I234Q229-E231 VanDerWaalsContact C-N 3.33Å; Q229-E231 WeakPolarHBondContact CA-OE2 3.41Å; Q229-E231 WeakPolarHBondContact CB-OE1 3.28Å; Q229-E231 VanDerWaalsContact CG-OE1 3.27Å; Q229-E231 WeakPolarHBondContact CG-OE1 3.43Å; Q229-K232 HydrophobicContact CB-CB 4.35Å; Q229-K232 PolarHBondContact O-N 3.48Å; Q229-G233 PolarHBondContact O-N 3.49Å; Q229-I234 HydrophobicContact CB-CB 4.05Å; Q229-I234 HydrophobicContact CB-CD1 4.11Å; Q229-I234 HydrophobicContact CB-CG1 4.18Å; Q229-I234 PolarHBondContact N-O 2.97Å; Q229-I234 VanDerWaalsContact N-O 3.15Å; Q229-I234 PolarHBondContact O-N 2.97Å
230R88.8Confident90.1Very high79 Ų7956.1 Ų56.130%0.29827%0.268SS..THydrogen-bonded Turntrans-63.4-42.7-173.1176.3-174.9-78.6166.6-2.6110.4W227 K232 G233 I296 D297W227-R230 HydrophobicContact CB-CB 4.25Å; W227-R230 HydrophobicContact CD2-CB 4.47Å; W227-R230 HydrophobicContact CD2-CG 4.46Å; W227-R230 HydrophobicContact CG-CB 4.26Å; W227-R230 HydrophobicContact CG-CG 4.48Å; R230-K232 VanDerWaalsContact C-N 3.29Å; R230-K232 PolarHBondContact O-N 2.84Å; R230-G233 PolarHBondContact O-N 3.31Å; R230-I296 VanDerWaalsContact CZ-O 3.27Å; R230-I296 PolarHBondContact NH1-O 2.86Å; R230-I296 PolarHBondContact NH2-O 3.36Å; R230-D297 IonicContact NH1-OD1 2.67Å
231E89.1Confident91.5Very high127 Ų12762.4 Ų62.459%0.59329%0.293SS*.THydrogen-bonded Turntrans-63.3-29.6-178.875-52.4142.100113.6Q229Q229-E231 VanDerWaalsContact C-N 3.33Å; Q229-E231 WeakPolarHBondContact CA-OE2 3.41Å; Q229-E231 WeakPolarHBondContact CB-OE1 3.28Å; Q229-E231 VanDerWaalsContact CG-OE1 3.27Å; Q229-E231 WeakPolarHBondContact CG-OE1 3.43Å
232K91.1Very high92.8Very high111 Ų11162.2 Ų62.248%0.48329%0.293SS..THydrogen-bonded Turntrans-97.94.8172.7-64173.9-149.2166.40113.3Q229 R230 I234 Q285Q229-K232 HydrophobicContact CB-CB 4.35Å; Q229-K232 PolarHBondContact O-N 3.48Å; R230-K232 VanDerWaalsContact C-N 3.29Å; R230-K232 PolarHBondContact O-N 2.84Å; K232-I234 VanDerWaalsContact C-N 3.28Å; K232-I234 HydrophobicContact CB-CD1 4.07Å; K232-I234 HydrophobicContact CB-CG1 3.91Å; K232-I234 PolarHBondContact O-N 3.04Å; K232-Q285 WeakPolarHBondContact O-CG 3.29Å; K232-Q285 PolarHBondContact O-NE2 2.82Å
233G92.7Very high93.6Very high0 Ų058.7 Ų58.70%027%0.27CS..THydrogen-bonded Turntrans64.724.3-177.600000115.4Q229 R230 Q285 F286 M289Q229-G233 PolarHBondContact O-N 3.49Å; R230-G233 PolarHBondContact O-N 3.31Å; G233-Q285 WeakPolarHBondContact O-CA 3.38Å; G233-F286 PolarHBondContact O-N 2.93Å; G233-M289 WeakPolarHBondContact CA-SD 3.4Å
234I94.8Very high94Very high17 Ų1750.6 Ų50.69%0.08724%0.239CC..EExtended strand (participates in β ladder)trans-90.1127.9180-45.1179.3000110.2T228 Q229 K232 V277 V283 Y284 Q285T228-I234 PolarHBondContact N-O 2.95Å; T228-I234 WeakPolarHBondContact OG1-CG2 3.49Å; T228-I234 PolarHBondContact OG1-O 3.05Å; Q229-I234 HydrophobicContact CB-CB 4.05Å; Q229-I234 HydrophobicContact CB-CD1 4.11Å; Q229-I234 HydrophobicContact CB-CG1 4.18Å; Q229-I234 PolarHBondContact N-O 2.97Å; Q229-I234 VanDerWaalsContact N-O 3.15Å; Q229-I234 PolarHBondContact O-N 2.97Å; K232-I234 VanDerWaalsContact C-N 3.28Å; K232-I234 HydrophobicContact CB-CD1 4.07Å; K232-I234 HydrophobicContact CB-CG1 3.91Å; K232-I234 PolarHBondContact O-N 3.04Å; I234-V277 HydrophobicContact CG2-CG2 3.82Å; I234-V283 HydrophobicContact CG2-CG1 3.53Å; I234-Y284 CarbonylContact C-O 3.47Å; I234-Y284 WeakPolarHBondContact CA-O 3.36Å; I234-Y284 WeakPolarHBondContact CG2-O 3.49Å; I234-Q285 HydrophobicContact CG1-CB 4.1Å; I234-Q285 HydrophobicContact CG1-CG 3.85Å
235F95.6Very high94.2Very high0 Ų055 Ų550%026%0.26CS..EExtended strand (participates in β ladder)trans-134.1156.2-18066.4-86.4000112.3L215 I225 K226 W227 L237 L274 V283 Y284 F286L215-F235 HydrophobicContact CD1-CB 3.7Å; L215-F235 HydrophobicContact CD1-CD1 4.11Å; L215-F235 HydrophobicContact CD1-CD2 3.91Å; L215-F235 HydrophobicContact CD1-CG 3.65Å; L215-F235 HydrophobicContact CD2-CB 4.08Å; I225-F235 HydrophobicContact CD1-CD2 3.83Å; I225-F235 HydrophobicContact CD1-CE2 4.07Å; I225-F235 HydrophobicContact CG1-CD2 4.12Å; K226-F235 CarbonylContact O-C 3.58Å; K226-F235 VanDerWaalsContact O-CA 3.28Å; K226-F235 WeakPolarHBondContact O-CA 3.37Å; K226-F235 WeakPolarHBondContact O-CB 3.47Å; W227-F235 HydrophobicContact CE3-CB 3.99Å; W227-F235 HydrophobicContact CZ3-CB 4.19Å; W227-F235 HydrophobicContact CZ3-CD1 4.34Å; F235-L237 HydrophobicContact CD2-CD1 3.95Å; F235-L237 HydrophobicContact CE2-CD1 3.68Å; F235-L274 HydrophobicContact CE1-CD2 3.87Å; F235-L274 HydrophobicContact CZ-CD1 4.39Å; F235-L274 HydrophobicContact CZ-CD2 4.04Å; F235-V283 WeakPolarHBondContact O-CA 3.45Å; F235-Y284 WeakPolarHBondContact CD1-O 3.33Å; F235-Y284 HydrophobicContact CD2-CD2 4.5Å; F235-Y284 AromaticContact CE2-CD2 3.98Å; F235-Y284 HydrophobicContact CE2-CD2 3.98Å; F235-Y284 HydrophobicContact CE2-CG 4.19Å; F235-Y284 VanDerWaalsContact CZ-CB 3.49Å; F235-Y284 HydrophobicContact CZ-CD2 4.4Å; F235-Y284 HydrophobicContact CZ-CG 4.15Å; F235-Y284 PolarHBondContact N-O 3.34Å; F235-Y284 PolarHBondContact O-N 3.11Å; F235-F286 AromaticContact CD1-CD2 3.63Å; F235-F286 HydrophobicContact CD1-CD2 3.63Å; F235-F286 AromaticContact CD1-CE2 3.5Å; F235-F286 HydrophobicContact CD1-CE2 3.5Å; F235-F286 VanDerWaalsContact CD1-CE2 3.5Å; F235-F286 HydrophobicContact CD1-CZ 4.49Å; F235-F286 AromaticContact CE1-CD2 3.45Å; F235-F286 HydrophobicContact CE1-CD2 3.45Å; F235-F286 VanDerWaalsContact CE1-CD2 3.45Å; F235-F286 AromaticContact CE1-CE2 3.23Å; F235-F286 HydrophobicContact CE1-CE2 3.23Å; F235-F286 HydrophobicContact CE1-CG 4.23Å; F235-F286 AromaticContact CE1-CZ 3.85Å; F235-F286 HydrophobicContact CE1-CZ 3.85Å; F235-F286 HydrophobicContact CG-CE2 4.47Å; F235-F286 HydrophobicContact CZ-CE2 4.02Å; F235-F286 HydrophobicContact CZ-CZ 4.27Å
236K95.6Very high94.2Very high79 Ų7958 Ų5834%0.34328%0.275SS..EExtended strand (participates in β ladder)trans-122130.4177.9-175.1166.4-171.6173.30110.8I225 K226 T228 V238 L282 V283I225-K236 CarbonylContact C-O 3.51Å; I225-K236 WeakPolarHBondContact CA-O 3.27Å; I225-K236 WeakPolarHBondContact CG1-O 3.31Å; K226-K236 PolarHBondContact N-O 3.46Å; K226-K236 PolarHBondContact O-N 2.92Å; T228-K236 HydrophobicContact CG2-CB 3.71Å; K236-V238 PolarHBondContact O-N 3Å; K236-L282 WeakPolarHBondContact CA-O 3.37Å; K236-V283 HydrophobicContact CB-CG2 3.98Å; K236-V283 HydrophobicContact CD-CG2 3.77Å; K236-V283 HydrophobicContact CG-CG2 3.77Å
237L96.5Very high94.3Very high1 Ų154.4 Ų54.41%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-75.2115.4162.3-83.466.8000107.4I225 F235 V243 M261 L282 Y284I225-L237 HydrophobicContact CD1-CD1 3.67Å; I225-L237 HydrophobicContact CD1-CG 4.17Å; I225-L237 HydrophobicContact CG1-CD1 4Å; I225-L237 HydrophobicContact CG1-CG 4.29Å; F235-L237 HydrophobicContact CD2-CD1 3.95Å; F235-L237 HydrophobicContact CE2-CD1 3.68Å; L237-V243 HydrophobicContact CD2-CB 4.24Å; L237-V243 HydrophobicContact CD2-CG1 4.03Å; L237-V243 HydrophobicContact CG-CG1 4.38Å; L237-V243 HydrophobicContact CG-CG2 4.27Å; L237-M261 HydrophobicContact CD2-CE 3.86Å; L237-L282 HydrophobicContact CB-CB 4.2Å; L237-L282 PolarHBondContact N-O 2.98Å; L237-L282 WeakPolarHBondContact O-CB 3.19Å; L237-Y284 HydrophobicContact CD1-CD2 3.94Å; L237-Y284 HydrophobicContact CD1-CE2 3.9Å
238V95.5Very high94.4Very high73 Ų7353 Ų5344%0.44226%0.255SS..SBendtrans-83.2-44.5-179.3178.60000110.1P222 Y224 K226 K236P222-V238 WeakPolarHBondContact O-CG2 3.39Å; Y224-V238 PolarHBondContact O-N 3.44Å; K226-V238 HydrophobicContact CD-CG2 4.3Å; K226-V238 HydrophobicContact CG-CG2 3.96Å; K236-V238 PolarHBondContact O-N 3Å
239D95.8Very high94.4Very high62 Ų6258.5 Ų58.533%0.33227%0.274SS..  trans-123.796168.1-179.7-6.3000109.9Y224 K241 A242 V243Y224-D239 HydrophobicContact CD1-CB 4.26Å; Y224-D239 PolarHBondContact O-N 2.94Å; Y224-D239 VanDerWaalsContact O-N 3.11Å; D239-K241 PolarHBondContact O-N 3.06Å; D239-K241 WeakPolarHBondContact OD1-CA 3.37Å; D239-K241 VanDerWaalsContact OD1-CB 3.3Å; D239-K241 WeakPolarHBondContact OD1-CB 3.39Å; D239-K241 PolarHBondContact OD1-N 3.27Å; D239-A242 HydrophobicContact CB-CB 4.01Å; D239-A242 VanDerWaalsContact CG-CB 3.47Å; D239-A242 PolarHBondContact O-N 2.92Å; D239-A242 PolarHBondContact OD1-N 3.48Å; D239-A242 VanDerWaalsContact OD2-CB 3.22Å; D239-A242 WeakPolarHBondContact OD2-CB 3.35Å; D239-V243 WeakPolarHBondContact O-CG2 3.38Å; D239-V243 PolarHBondContact O-N 3.04Å
240S96.3Very high94.4Very high21 Ų2158.5 Ų58.515%0.14727%0.274CS..Hα-helixtrans-64-24.6177.759.90000113.7S244S240-S244 WeakPolarHBondContact O-CB 3.43Å; S240-S244 PolarHBondContact O-N 2.87Å; S240-S244 PolarHBondContact O-OG 2.62Å
241K96.4Very high94.6Very high159 Ų15958.5 Ų58.569%0.69128%0.276SS*.Hα-helixtrans-74-46176.7-60.4177.5179.6176.20110D239 S244 K245D239-K241 PolarHBondContact O-N 3.06Å; D239-K241 WeakPolarHBondContact OD1-CA 3.37Å; D239-K241 VanDerWaalsContact OD1-CB 3.3Å; D239-K241 WeakPolarHBondContact OD1-CB 3.39Å; D239-K241 PolarHBondContact OD1-N 3.27Å; K241-S244 PolarHBondContact O-N 3.29Å; K241-K245 WeakPolarHBondContact O-CG 3.45Å; K241-K245 PolarHBondContact O-N 3.19Å
242A95.4Very high94.8Very high19 Ų1959.2 Ų59.216%0.15728%0.284CS..Hα-helixtrans-66.3-43.8177.300000112.9Y224 D239 S244 K245 L246Y224-A242 HydrophobicContact CD1-CB 3.28Å; Y224-A242 HydrophobicContact CE1-CB 3.55Å; Y224-A242 HydrophobicContact CG-CB 4.19Å; D239-A242 HydrophobicContact CB-CB 4.01Å; D239-A242 VanDerWaalsContact CG-CB 3.47Å; D239-A242 PolarHBondContact O-N 2.92Å; D239-A242 PolarHBondContact OD1-N 3.48Å; D239-A242 VanDerWaalsContact OD2-CB 3.22Å; D239-A242 WeakPolarHBondContact OD2-CB 3.35Å; A242-S244 VanDerWaalsContact C-N 3.26Å; A242-S244 PolarHBondContact O-N 2.72Å; A242-K245 PolarHBondContact O-N 2.97Å; A242-L246 WeakPolarHBondContact O-CB 3.22Å; A242-L246 PolarHBondContact O-N 3.01Å
243V96.2Very high95Very high1 Ų159.8 Ų59.81%0.00629%0.286CS..Hα-helixtrans-57.9-41.7174.5175.30000110.8L211 L214 Y224 I225 L237 D239 L246 W247 M261L211-V243 HydrophobicContact CD2-CG1 3.61Å; L214-V243 HydrophobicContact CD2-CG1 4.03Å; L214-V243 HydrophobicContact CD2-CG2 4.06Å; Y224-V243 VanDerWaalsContact O-CG2 3.32Å; Y224-V243 WeakPolarHBondContact O-CG2 3.3Å; I225-V243 HydrophobicContact CB-CG2 4.38Å; L237-V243 HydrophobicContact CD2-CB 4.24Å; L237-V243 HydrophobicContact CD2-CG1 4.03Å; L237-V243 HydrophobicContact CG-CG1 4.38Å; L237-V243 HydrophobicContact CG-CG2 4.27Å; D239-V243 WeakPolarHBondContact O-CG2 3.38Å; D239-V243 PolarHBondContact O-N 3.04Å; V243-L246 PolarHBondContact O-N 3.2Å; V243-W247 WeakPolarHBondContact O-CB 3.33Å; V243-W247 PolarHBondContact O-N 2.64Å; V243-M261 HydrophobicContact CG1-CE 3.98Å; V243-M261 HydrophobicContact CG1-SD 4.24Å
244S96.8Very high94.9Very high0 Ų064.9 Ų64.90%032%0.319CS..Hα-helixtrans-65.8-41.9176.8-56.40000113S240 K241 A242 L246 W247 G248 M256 N257 Y258 M261S240-S244 WeakPolarHBondContact O-CB 3.43Å; S240-S244 PolarHBondContact O-N 2.87Å; S240-S244 PolarHBondContact O-OG 2.62Å; K241-S244 PolarHBondContact O-N 3.29Å; A242-S244 VanDerWaalsContact C-N 3.26Å; A242-S244 PolarHBondContact O-N 2.72Å; S244-L246 VanDerWaalsContact C-N 3.34Å; S244-L246 PolarHBondContact O-N 2.9Å; S244-W247 PolarHBondContact O-N 3.1Å; S244-G248 PolarHBondContact O-N 3.3Å; S244-M256 WeakPolarHBondContact O-CG 3.36Å; S244-N257 VanDerWaalsContact CB-C 3.5Å; S244-Y258 WeakPolarHBondContact OG-CA 3.32Å; S244-Y258 WeakPolarHBondContact OG-CB 3.36Å; S244-Y258 PolarHBondContact OG-N 2.67Å; S244-Y258 VanDerWaalsContact OG-N 3.1Å; S244-M261 WeakPolarHBondContact OG-CE 3.45Å
245K95.6Very high94.9Very high155 Ų15570.4 Ų70.467%0.67435%0.349SS*.Hα-helixtrans-62.9-39.2174.3-75.6-178.3176.6-173.10112.1K241 A242 G248 K249K241-K245 WeakPolarHBondContact O-CG 3.45Å; K241-K245 PolarHBondContact O-N 3.19Å; A242-K245 PolarHBondContact O-N 2.97Å; K245-G248 PolarHBondContact O-N 3.34Å; K245-K249 PolarHBondContact O-N 3.37Å
246L94.9Very high95Very high62 Ų6271.8 Ų71.833%0.32536%0.356SS..Hα-helixtrans-70-40.4179-169.565000111.6F210 L214 T220 A242 V243 S244 G248 K249 H250F210-L246 HydrophobicContact CE2-CG 4.25Å; F210-L246 HydrophobicContact CZ-CB 4.07Å; F210-L246 HydrophobicContact CZ-CD2 4.09Å; F210-L246 HydrophobicContact CZ-CG 3.85Å; L214-L246 HydrophobicContact CD1-CD2 3.37Å; L214-L246 HydrophobicContact CD2-CD2 4.36Å; T220-L246 HydrophobicContact CG2-CD2 4.34Å; A242-L246 WeakPolarHBondContact O-CB 3.22Å; A242-L246 PolarHBondContact O-N 3.01Å; V243-L246 PolarHBondContact O-N 3.2Å; S244-L246 VanDerWaalsContact C-N 3.34Å; S244-L246 PolarHBondContact O-N 2.9Å; L246-G248 VanDerWaalsContact C-N 3.31Å; L246-G248 PolarHBondContact O-N 2.93Å; L246-K249 PolarHBondContact O-N 3.3Å; L246-H250 WeakPolarHBondContact O-CB 3.2Å; L246-H250 PolarHBondContact O-N 2.95Å
247W95.4Very high95.1Very high16 Ų1671.4 Ų71.46%0.06136%0.357CS..Hα-helixtrans-61.1-39.8169.5177.3-129.4000112.1T205 Y206 L207 F210 V243 S244 H250 K251 M256 M261T205-W247 WeakPolarHBondContact O-CH2 3.42Å; Y206-W247 VanDerWaalsContact C-CH2 3.45Å; L207-W247 VanDerWaalsContact CA-CH2 3.48Å; L207-W247 HydrophobicContact CB-CH2 4Å; L207-W247 HydrophobicContact CB-CZ2 3.61Å; L207-W247 HydrophobicContact CD1-CD2 3.78Å; L207-W247 HydrophobicContact CD1-CE3 4.31Å; L207-W247 HydrophobicContact CD1-CG 3.91Å; L207-W247 HydrophobicContact CD1-CZ2 4.2Å; L207-W247 HydrophobicContact CG-CZ2 4.5Å; F210-W247 HydrophobicContact CB-CE3 3.72Å; F210-W247 HydrophobicContact CB-CH2 4.43Å; F210-W247 HydrophobicContact CB-CZ3 3.47Å; F210-W247 VanDerWaalsContact CB-CZ3 3.47Å; F210-W247 HydrophobicContact CD1-CB 4.2Å; F210-W247 HydrophobicContact CD1-CD2 4.18Å; F210-W247 AromaticContact CD1-CE3 3.57Å; F210-W247 HydrophobicContact CD1-CE3 3.57Å; F210-W247 HydrophobicContact CD1-CG 4.48Å; F210-W247 HydrophobicContact CD1-CZ3 4.22Å; F210-W247 AromaticContact CD2-CE3 3.89Å; F210-W247 HydrophobicContact CD2-CE3 3.89Å; F210-W247 HydrophobicContact CD2-CZ3 4.29Å; F210-W247 HydrophobicContact CE1-CB 3.69Å; F210-W247 HydrophobicContact CE1-CE3 4.16Å; F210-W247 HydrophobicContact CE1-CG 4.43Å; F210-W247 HydrophobicContact CE2-CE3 4.42Å; F210-W247 HydrophobicContact CG-CD2 4.45Å; F210-W247 AromaticContact CG-CE3 3.42Å; F210-W247 HydrophobicContact CG-CE3 3.42Å; F210-W247 VanDerWaalsContact CG-CE3 3.42Å; F210-W247 AromaticContact CG-CZ3 3.74Å; F210-W247 HydrophobicContact CG-CZ3 3.74Å; F210-W247 HydrophobicContact CZ-CB 4.06Å; V243-W247 WeakPolarHBondContact O-CB 3.33Å; V243-W247 PolarHBondContact O-N 2.64Å; S244-W247 PolarHBondContact O-N 3.1Å; W247-H250 HydrophobicContact CE3-CB 4.47Å; W247-H250 AromaticContact CZ3-CD2 3.76Å; W247-H250 PolarHBondContact O-N 3.49Å; W247-K251 HydrophobicContact CD2-CD 4.23Å; W247-K251 HydrophobicContact CD2-CG 4.38Å; W247-K251 HydrophobicContact CE3-CD 4.18Å; W247-K251 HydrophobicContact CE3-CG 4.13Å; W247-K251 HydrophobicContact CH2-CD 3.35Å; W247-K251 HydrophobicContact CH2-CG 4.1Å; W247-K251 HydrophobicContact CZ2-CD 3.34Å; W247-K251 HydrophobicContact CZ2-CG 4.3Å; W247-K251 HydrophobicContact CZ3-CD 3.76Å; W247-K251 HydrophobicContact CZ3-CG 3.98Å; W247-K251 PolarHBondContact O-N 3.43Å; W247-K251 VanDerWaalsContact O-N 3.07Å; W247-M256 HydrophobicContact CB-CG 4.49Å; W247-M256 HydrophobicContact CG-CG 4.37Å; W247-M261 HydrophobicContact CB-SD 4.1Å; W247-M261 HydrophobicContact CG-SD 4.21Å
248G95.1Very high95.1Very high2 Ų273.9 Ų73.92%0.02137%0.367CS..Hα-helixtrans-57.7-51.3171.300000112.5S244 K245 L246 H250 K251 N252 K253S244-G248 PolarHBondContact O-N 3.3Å; K245-G248 PolarHBondContact O-N 3.34Å; L246-G248 VanDerWaalsContact C-N 3.31Å; L246-G248 PolarHBondContact O-N 2.93Å; G248-H250 VanDerWaalsContact C-N 3.35Å; G248-H250 PolarHBondContact O-N 3.35Å; G248-K251 CarbonylContact O-C 3.52Å; G248-K251 PolarHBondContact O-N 2.86Å; G248-N252 WeakPolarHBondContact O-CA 3.48Å; G248-N252 PolarHBondContact O-N 3.37Å; G248-K253 CarbonylContact C-O 3.59Å; G248-K253 WeakPolarHBondContact CA-O 3.23Å; G248-K253 PolarHBondContact O-N 3.4Å
249K93.9Very high95.2Very high172 Ų17274.4 Ų74.475%0.74837%0.365SS*.Hα-helixtrans-57.2-45.7175.3-172.5-179-180-176.10111.7K245 L246 K251 N252K245-K249 PolarHBondContact O-N 3.37Å; L246-K249 PolarHBondContact O-N 3.3Å; K249-K251 VanDerWaalsContact C-N 3.31Å; K249-K251 PolarHBondContact O-N 3.44Å; K249-N252 PolarHBondContact O-N 2.91Å
250H91.9Very high95.2Very high73 Ų7375.1 Ų75.134%0.33837%0.372SS..Hα-helixtrans-60.7-35.7179.1-174.681.1000113.3T205 F210 L246 W247 G248T205-H250 WeakPolarHBondContact CB-NE2 3.48Å; T205-H250 WeakPolarHBondContact CG2-NE2 3.48Å; T205-H250 PolarHBondContact OG1-CD2 2.87Å; T205-H250 PolarHBondContact OG1-NE2 2.77Å; F210-H250 HydrophobicContact CD2-CB 4.19Å; F210-H250 AromaticContact CD2-CG 3.93Å; F210-H250 HydrophobicContact CE2-CB 4Å; L246-H250 WeakPolarHBondContact O-CB 3.2Å; L246-H250 PolarHBondContact O-N 2.95Å; W247-H250 HydrophobicContact CE3-CB 4.47Å; W247-H250 AromaticContact CZ3-CD2 3.76Å; W247-H250 PolarHBondContact O-N 3.49Å; G248-H250 VanDerWaalsContact C-N 3.35Å; G248-H250 PolarHBondContact O-N 3.35Å
251K92.6Very high95.2Very high79 Ų7974.2 Ų74.234%0.34337%0.365SS..THydrogen-bonded Turntrans-102.810.7179.5-64.6-160.164.2153.70115.2W247 G248 K249 K253W247-K251 HydrophobicContact CD2-CD 4.23Å; W247-K251 HydrophobicContact CD2-CG 4.38Å; W247-K251 HydrophobicContact CE3-CD 4.18Å; W247-K251 HydrophobicContact CE3-CG 4.13Å; W247-K251 HydrophobicContact CH2-CD 3.35Å; W247-K251 HydrophobicContact CH2-CG 4.1Å; W247-K251 HydrophobicContact CZ2-CD 3.34Å; W247-K251 HydrophobicContact CZ2-CG 4.3Å; W247-K251 HydrophobicContact CZ3-CD 3.76Å; W247-K251 HydrophobicContact CZ3-CG 3.98Å; W247-K251 PolarHBondContact O-N 3.43Å; W247-K251 VanDerWaalsContact O-N 3.07Å; G248-K251 CarbonylContact O-C 3.52Å; G248-K251 PolarHBondContact O-N 2.86Å; K249-K251 VanDerWaalsContact C-N 3.31Å; K249-K251 PolarHBondContact O-N 3.44Å; K251-K253 VanDerWaalsContact C-N 3.29Å; K251-K253 PolarHBondContact O-N 3.48Å
252N93.4Very high95.3Very high142 Ų14266.7 Ų66.776%0.75933%0.333SS*.THydrogen-bonded Turntrans47.249.2-172.3-161.235.5000113.5G248 K249G248-N252 WeakPolarHBondContact O-CA 3.48Å; G248-N252 PolarHBondContact O-N 3.37Å; K249-N252 PolarHBondContact O-N 2.91Å
253K94Very high95.3Very high123 Ų12371.7 Ų71.754%0.53535%0.348SS..  trans-122.292.2174.7-70.8-58-174.5-175.60109.2G248 K251 D255 M256G248-K253 CarbonylContact C-O 3.59Å; G248-K253 WeakPolarHBondContact CA-O 3.23Å; G248-K253 PolarHBondContact O-N 3.4Å; K251-K253 VanDerWaalsContact C-N 3.29Å; K251-K253 PolarHBondContact O-N 3.48Å; K253-D255 VanDerWaalsContact C-N 3.28Å; K253-D255 PolarHBondContact O-N 2.97Å; K253-M256 HydrophobicContact CB-CB 4.4Å; K253-M256 HydrophobicContact CB-CE 4.13Å; K253-M256 VanDerWaalsContact O-CB 3.29Å; K253-M256 WeakPolarHBondContact O-CB 3.17Å; K253-M256 PolarHBondContact O-N 3.29Å
254P91.9Very high95.3Very high107 Ų10773 Ų7370%0.69536%0.358SS*.THydrogen-bonded Turntrans-63.7-34.2-174.924.8-32.7000112.6M256P254-M256 PolarHBondContact O-N 3.17Å; P254-M256 VanDerWaalsContact O-N 3.11Å
255D94.9Very high95.3Very high132 Ų13273 Ų7371%0.70636%0.359SS*.THydrogen-bonded Turntrans-77.27.5-177.7-37.1-74.7000113.8K253 N257K253-D255 VanDerWaalsContact C-N 3.28Å; K253-D255 PolarHBondContact O-N 2.97Å; D255-N257 PolarHBondContact O-N 2.06Å; D255-N257 PolarHBondContact O-ND2 2.74Å
256M97Very high95.4Very high30 Ų3071.1 Ų71.115%0.14835%0.347CS..  trans-67.2117.8-178.4-172.56265.400111.3S244 W247 K253 P254 T260 M261S244-M256 WeakPolarHBondContact O-CG 3.36Å; W247-M256 HydrophobicContact CB-CG 4.49Å; W247-M256 HydrophobicContact CG-CG 4.37Å; K253-M256 HydrophobicContact CB-CB 4.4Å; K253-M256 HydrophobicContact CB-CE 4.13Å; K253-M256 VanDerWaalsContact O-CB 3.29Å; K253-M256 WeakPolarHBondContact O-CB 3.17Å; K253-M256 PolarHBondContact O-N 3.29Å; P254-M256 PolarHBondContact O-N 3.17Å; P254-M256 VanDerWaalsContact O-N 3.11Å; M256-T260 HydrophobicContact SD-CG2 4.2Å; M256-M261 HydrophobicContact SD-CB 4.18Å
257N97.4Very high95.5Very high70 Ų7075.5 Ų75.537%0.37436%0.36SS..  trans-129.3168.7-17864.876.4000110.3S244 D255 E259 T260 M261S244-N257 VanDerWaalsContact CB-C 3.5Å; D255-N257 PolarHBondContact O-N 2.06Å; D255-N257 PolarHBondContact O-ND2 2.74Å; N257-E259 VanDerWaalsContact C-N 3.31Å; N257-E259 PolarHBondContact O-N 3.11Å; N257-E259 WeakPolarHBondContact OD1-CA 3.47Å; N257-E259 WeakPolarHBondContact OD1-CB 3.44Å; N257-E259 PolarHBondContact OD1-N 3.22Å; N257-T260 PolarHBondContact ND2-OG1 3.48Å; N257-T260 PolarHBondContact O-N 3.45Å; N257-T260 PolarHBondContact OD1-N 3.29Å; N257-T260 PolarHBondContact OD1-OG1 3.35Å; N257-M261 WeakPolarHBondContact O-CB 3.37Å; N257-M261 PolarHBondContact O-N 3.22Å
258Y97.7Very high95.5Very high54 Ų5475.4 Ų75.421%0.21236%0.36CS..Hα-helixtrans-66.2-29.5-175.8173.5-100000113.2S244 M261 G262 L265 L282 Y284S244-Y258 WeakPolarHBondContact OG-CA 3.32Å; S244-Y258 WeakPolarHBondContact OG-CB 3.36Å; S244-Y258 PolarHBondContact OG-N 2.67Å; S244-Y258 VanDerWaalsContact OG-N 3.1Å; Y258-M261 HydrophobicContact CD2-CE 4.01Å; Y258-G262 VanDerWaalsContact O-CA 3.31Å; Y258-G262 WeakPolarHBondContact O-CA 3.45Å; Y258-G262 PolarHBondContact O-N 3.32Å; Y258-L265 HydrophobicContact CE2-CD1 4.38Å; Y258-L282 HydrophobicContact CD2-CD2 4.5Å; Y258-L282 HydrophobicContact CE1-CD2 4.13Å; Y258-L282 HydrophobicContact CE2-CD2 3.71Å; Y258-L282 WeakPolarHBondContact OH-CD2 2.79Å; Y258-Y284 PolarHBondContact OH-OH 3.31Å
259E96.6Very high95.5Very high83 Ų8378.7 Ų78.739%0.38837%0.372SS..Hα-helixtrans-70.2-36.1177.3-82.7-55.2119.900112.5N257 R263 R266N257-E259 VanDerWaalsContact C-N 3.31Å; N257-E259 PolarHBondContact O-N 3.11Å; N257-E259 WeakPolarHBondContact OD1-CA 3.47Å; N257-E259 WeakPolarHBondContact OD1-CB 3.44Å; N257-E259 PolarHBondContact OD1-N 3.22Å; E259-R263 WeakPolarHBondContact O-CG 3.35Å; E259-R263 PolarHBondContact O-NE 3.01Å; E259-R263 IonicContact OE2-CZ 3.81Å; E259-R263 IonicContact OE2-NE 3.93Å; E259-R263 IonicContact OE2-NH2 3.97Å; E259-R263 PolarHBondContact OE2-NH2 3.38Å; E259-R266 IonicContact OE1-NH2 2.86Å; E259-R266 IonicContact OE2-NH2 2.79Å
260T96.3Very high95.6Very high78 Ų7878.6 Ų78.648%0.47937%0.374SS..Hα-helixtrans-72.6-49.8172.5-52.50000111.5M256 N257 G262 R263M256-T260 HydrophobicContact SD-CG2 4.2Å; N257-T260 PolarHBondContact ND2-OG1 3.48Å; N257-T260 PolarHBondContact O-N 3.45Å; N257-T260 PolarHBondContact OD1-N 3.29Å; N257-T260 PolarHBondContact OD1-OG1 3.35Å; T260-G262 VanDerWaalsContact C-N 3.29Å; T260-G262 PolarHBondContact O-N 2.98Å; T260-R263 WeakPolarHBondContact O-CB 3.45Å; T260-R263 PolarHBondContact O-N 2.91Å
261M96.8Very high95.7Very high2 Ų282.4 Ų82.41%0.0139%0.386CS..Hα-helixtrans-61.4-38.5178.5-173.4-178.774.400111.8L207 L237 V243 S244 W247 M256 N257 Y258 R263 A264 L265L207-M261 HydrophobicContact CD1-CG 3.79Å; L207-M261 HydrophobicContact CD1-SD 3.72Å; L207-M261 HydrophobicContact CD2-CG 3.48Å; L207-M261 VanDerWaalsContact CD2-CG 3.48Å; L207-M261 HydrophobicContact CD2-SD 4.38Å; L207-M261 HydrophobicContact CG-CG 4.3Å; L237-M261 HydrophobicContact CD2-CE 3.86Å; V243-M261 HydrophobicContact CG1-CE 3.98Å; V243-M261 HydrophobicContact CG1-SD 4.24Å; S244-M261 WeakPolarHBondContact OG-CE 3.45Å; W247-M261 HydrophobicContact CB-SD 4.1Å; W247-M261 HydrophobicContact CG-SD 4.21Å; M256-M261 HydrophobicContact SD-CB 4.18Å; N257-M261 WeakPolarHBondContact O-CB 3.37Å; N257-M261 PolarHBondContact O-N 3.22Å; Y258-M261 HydrophobicContact CD2-CE 4.01Å; M261-R263 PolarHBondContact O-N 3.46Å; M261-A264 WeakPolarHBondContact O-CB 3.48Å; M261-A264 PolarHBondContact O-N 3.28Å; M261-L265 PolarHBondContact O-N 3.34Å
262G97Very high95.8Very high1 Ų180 Ų801%0.0138%0.383CS..Hα-helixtrans-63.1-19.817800000114.2Y258 T260 L265 R266Y258-G262 VanDerWaalsContact O-CA 3.31Å; Y258-G262 WeakPolarHBondContact O-CA 3.45Å; Y258-G262 PolarHBondContact O-N 3.32Å; T260-G262 VanDerWaalsContact C-N 3.29Å; T260-G262 PolarHBondContact O-N 2.98Å; G262-L265 PolarHBondContact O-N 2.74Å; G262-R266 VanDerWaalsContact O-CG 3.28Å; G262-R266 WeakPolarHBondContact O-CG 3.29Å; G262-R266 PolarHBondContact O-N 3.29Å
263R97.1Very high95.9Very high124 Ų12475 Ų7547%0.46836%0.357SS..Hα-helixtrans-66.6-42.7170.4-49.3-55.2156.9116-10.9110.8E259 T260 M261 L265 R266 Y267E259-R263 WeakPolarHBondContact O-CG 3.35Å; E259-R263 PolarHBondContact O-NE 3.01Å; E259-R263 IonicContact OE2-CZ 3.81Å; E259-R263 IonicContact OE2-NE 3.93Å; E259-R263 IonicContact OE2-NH2 3.97Å; E259-R263 PolarHBondContact OE2-NH2 3.38Å; T260-R263 WeakPolarHBondContact O-CB 3.45Å; T260-R263 PolarHBondContact O-N 2.91Å; M261-R263 PolarHBondContact O-N 3.46Å; R263-L265 VanDerWaalsContact C-N 3.34Å; R263-L265 PolarHBondContact O-N 3.47Å; R263-R266 PolarHBondContact O-N 3.18Å; R263-Y267 HydrophobicContact CB-CE2 4.28Å; R263-Y267 WeakPolarHBondContact O-CD2 3.3Å; R263-Y267 PolarHBondContact O-N 2.97Å
264A96.1Very high96Very high28 Ų2869.3 Ų69.323%0.23133%0.332CS..Hα-helixtrans-62.8-40.2174.900000112L207 M261 Y267 Y268L207-A264 HydrophobicContact CD2-CB 3.73Å; M261-A264 WeakPolarHBondContact O-CB 3.48Å; M261-A264 PolarHBondContact O-N 3.28Å; A264-Y267 PolarHBondContact O-N 3.46Å; A264-Y268 HydrophobicContact CB-CE2 4.47Å; A264-Y268 VanDerWaalsContact O-CD2 3.28Å; A264-Y268 WeakPolarHBondContact O-CD2 3.46Å; A264-Y268 VanDerWaalsContact O-CG 3.3Å; A264-Y268 PolarHBondContact O-N 3.48Å
265L96.9Very high96.2Very high1 Ų165.9 Ų65.91%0.00531%0.312CS..Hα-helixtrans-60.4-44.3173.3-61.3177.2000112.1L207 L211 Y258 M261 G262 R263 Y267 Y268 Y269 L274 Y284L207-L265 HydrophobicContact CD2-CD2 3.71Å; L207-L265 HydrophobicContact CD2-CG 3.9Å; L207-L265 HydrophobicContact CG-CD2 4.41Å; L211-L265 HydrophobicContact CD1-CD2 3.73Å; Y258-L265 HydrophobicContact CE2-CD1 4.38Å; M261-L265 PolarHBondContact O-N 3.34Å; G262-L265 PolarHBondContact O-N 2.74Å; R263-L265 VanDerWaalsContact C-N 3.34Å; R263-L265 PolarHBondContact O-N 3.47Å; L265-Y267 PolarHBondContact O-N 3.31Å; L265-Y268 HydrophobicContact CD2-CD2 4.29Å; L265-Y268 WeakPolarHBondContact O-CB 3.14Å; L265-Y268 PolarHBondContact O-N 3.04Å; L265-Y268 VanDerWaalsContact O-N 3.11Å; L265-Y269 WeakPolarHBondContact O-CD1 3.21Å; L265-Y269 PolarHBondContact O-N 3.21Å; L265-L274 HydrophobicContact CD2-CD1 3.69Å; L265-Y284 HydrophobicContact CB-CE1 4.09Å; L265-Y284 HydrophobicContact CD1-CE1 3.84Å; L265-Y284 HydrophobicContact CD1-CE2 4.31Å; L265-Y284 HydrophobicContact CG-CE1 4.42Å
266R96.5Very high96.2Very high114 Ų11464.4 Ų64.443%0.4330%0.3SS..Hα-helixtrans-63.3-37.6175.7-68170.5-158.2175.611.1112.4E259 G262 R263 Y268 Y269E259-R266 IonicContact OE1-NH2 2.86Å; E259-R266 IonicContact OE2-NH2 2.79Å; G262-R266 VanDerWaalsContact O-CG 3.28Å; G262-R266 WeakPolarHBondContact O-CG 3.29Å; G262-R266 PolarHBondContact O-N 3.29Å; R263-R266 PolarHBondContact O-N 3.18Å; R266-Y268 VanDerWaalsContact C-N 3.31Å; R266-Y268 PolarHBondContact O-N 3.46Å; R266-Y269 HydrophobicContact CB-CD2 4.45Å; R266-Y269 HydrophobicContact CB-CE2 4.41Å; R266-Y269 HydrophobicContact CG-CE2 4.09Å; R266-Y269 WeakPolarHBondContact O-CB 3.33Å; R266-Y269 PolarHBondContact O-N 3.27Å
267Y96.9Very high96.1Very high154 Ų15464.2 Ų64.260%0.60430%0.3SS*.Hα-helixtrans-66.8-29.1172.8-67.3-54.4000113R263 A264 L265 Y269 Q270 R271R263-Y267 HydrophobicContact CB-CE2 4.28Å; R263-Y267 WeakPolarHBondContact O-CD2 3.3Å; R263-Y267 PolarHBondContact O-N 2.97Å; A264-Y267 PolarHBondContact O-N 3.46Å; L265-Y267 PolarHBondContact O-N 3.31Å; Y267-Y269 VanDerWaalsContact C-N 3.27Å; Y267-Y269 PolarHBondContact O-N 3.45Å; Y267-Q270 PolarHBondContact O-N 3.24Å; Y267-R271 WeakPolarHBondContact O-CG 3.27Å; Y267-R271 PolarHBondContact O-N 3.11Å; Y267-R271 VanDerWaalsContact O-N 3.15Å
268Y96.4Very high96Very high15 Ų1567.1 Ų67.16%0.05931%0.311CS..Hα-helixtrans-70-20.9175.7-63.9-35.8000113.8L207 W208 A264 L265 R266 G272 I273 L274L207-Y268 HydrophobicContact CB-CE2 3.91Å; L207-Y268 HydrophobicContact CD2-CE2 4.27Å; L207-Y268 HydrophobicContact CG-CE2 4.29Å; L207-Y268 PolarHBondContact N-OH 3.17Å; L207-Y268 VanDerWaalsContact N-OH 3.13Å; W208-Y268 HydrophobicContact CB-CD2 4.25Å; W208-Y268 HydrophobicContact CB-CE2 3.87Å; W208-Y268 AromaticContact CD1-CE1 3.89Å; W208-Y268 AromaticContact CD1-CZ 3.73Å; A264-Y268 HydrophobicContact CB-CE2 4.47Å; A264-Y268 VanDerWaalsContact O-CD2 3.28Å; A264-Y268 WeakPolarHBondContact O-CD2 3.46Å; A264-Y268 VanDerWaalsContact O-CG 3.3Å; A264-Y268 PolarHBondContact O-N 3.48Å; L265-Y268 HydrophobicContact CD2-CD2 4.29Å; L265-Y268 WeakPolarHBondContact O-CB 3.14Å; L265-Y268 PolarHBondContact O-N 3.04Å; L265-Y268 VanDerWaalsContact O-N 3.11Å; R266-Y268 VanDerWaalsContact C-N 3.31Å; R266-Y268 PolarHBondContact O-N 3.46Å; Y268-G272 PolarHBondContact O-N 3.42Å; Y268-I273 HydrophobicContact CD1-CB 4.41Å; Y268-I273 HydrophobicContact CD1-CD1 3.99Å; Y268-I273 HydrophobicContact CE1-CD1 4.39Å; Y268-I273 HydrophobicContact CG-CB 4.49Å; Y268-I273 PolarHBondContact O-N 3.35Å; Y268-L274 HydrophobicContact CD2-CD1 3.89Å; Y268-L274 HydrophobicContact CD2-CG 4.37Å; Y268-L274 HydrophobicContact CG-CD1 4.44Å; Y268-L274 PolarHBondContact O-N 2.94Å
269Y95.4Very high95.8Very high70 Ų7068.4 Ų68.428%0.27534%0.342SS..Hα-helixtrans-63.6-55.5170.1-53-24.3000111.6L265 R266 Y267 R271 G272 L274 K276 Y284L265-Y269 WeakPolarHBondContact O-CD1 3.21Å; L265-Y269 PolarHBondContact O-N 3.21Å; R266-Y269 HydrophobicContact CB-CD2 4.45Å; R266-Y269 HydrophobicContact CB-CE2 4.41Å; R266-Y269 HydrophobicContact CG-CE2 4.09Å; R266-Y269 WeakPolarHBondContact O-CB 3.33Å; R266-Y269 PolarHBondContact O-N 3.27Å; Y267-Y269 VanDerWaalsContact C-N 3.27Å; Y267-Y269 PolarHBondContact O-N 3.45Å; Y269-R271 PolarHBondContact O-N 3.03Å; Y269-G272 PolarHBondContact O-N 2.81Å; Y269-L274 VanDerWaalsContact CA-O 3.3Å; Y269-L274 WeakPolarHBondContact CA-O 3.46Å; Y269-L274 HydrophobicContact CD1-CB 4.31Å; Y269-K276 HydrophobicContact CD1-CB 4.46Å; Y269-K276 HydrophobicContact CE1-CB 3.89Å; Y269-K276 HydrophobicContact CE2-CB 3.99Å; Y269-K276 HydrophobicContact CE2-CD 4.3Å; Y269-Y284 HydrophobicContact CE1-CD1 4.1Å; Y269-Y284 HydrophobicContact CE1-CE1 4.33Å; Y269-Y284 VanDerWaalsContact OH-CE1 3.27Å; Y269-Y284 WeakPolarHBondContact OH-CE1 3.47Å
270Q94.6Very high95.8Very high170 Ų17069.4 Ų69.479%0.79435%0.346SS*.Hα-helixtrans-65.2-29.3-179.6-68.2176.8-2800112.4Y267 G272Y267-Q270 PolarHBondContact O-N 3.24Å; Q270-G272 VanDerWaalsContact C-N 3.29Å
271R94.2Very high95.8Very high154 Ų15476.6 Ų76.658%0.58136%0.364SS*.THydrogen-bonded Turntrans-80-4.7173.4-69.5-17563.8-166.7-4.1114.2Y267 Y269 I273Y267-R271 WeakPolarHBondContact O-CG 3.27Å; Y267-R271 PolarHBondContact O-N 3.11Å; Y267-R271 VanDerWaalsContact O-N 3.15Å; Y269-R271 PolarHBondContact O-N 3.03Å; R271-I273 HydrophobicContact CB-CD1 4.12Å; R271-I273 HydrophobicContact CB-CG1 4.25Å; R271-I273 PolarHBondContact O-N 3.32Å
272G94.8Very high95.8Very high28 Ų2878.6 Ų78.629%0.28938%0.375SS..THydrogen-bonded Turntrans62.725.9-178.500000114.6Y268 Y269 Q270 K287Y268-G272 PolarHBondContact O-N 3.42Å; Y269-G272 PolarHBondContact O-N 2.81Å; Q270-G272 VanDerWaalsContact C-N 3.29Å; G272-K287 VanDerWaalsContact O-CB 3.23Å; G272-K287 WeakPolarHBondContact O-CB 3.07Å; G272-K287 WeakPolarHBondContact O-CD 3.41Å
273I94.4Very high95.7Very high38 Ų3878.7 Ų78.720%0.19538%0.375CS..SBendtrans-90.4-42.4175.9-65.3169.4000109.7W208 Y268 R271 K287W208-I273 HydrophobicContact CB-CG2 4.12Å; W208-I273 HydrophobicContact CD2-CG2 4.27Å; W208-I273 HydrophobicContact CG-CG2 3.95Å; Y268-I273 HydrophobicContact CD1-CB 4.41Å; Y268-I273 HydrophobicContact CD1-CD1 3.99Å; Y268-I273 HydrophobicContact CE1-CD1 4.39Å; Y268-I273 HydrophobicContact CG-CB 4.49Å; Y268-I273 PolarHBondContact O-N 3.35Å; R271-I273 HydrophobicContact CB-CD1 4.12Å; R271-I273 HydrophobicContact CB-CG1 4.25Å; R271-I273 PolarHBondContact O-N 3.32Å; I273-K287 PolarHBondContact O-N 3.34Å
274L96.1Very high95.7Very high3 Ų373.1 Ų73.12%0.01635%0.354CS..EExtended strand (participates in β ladder)trans-118.1153.8171.2-63.6-179.6000109.8F235 L265 Y268 Y269 Q285 F286F235-L274 HydrophobicContact CE1-CD2 3.87Å; F235-L274 HydrophobicContact CZ-CD1 4.39Å; F235-L274 HydrophobicContact CZ-CD2 4.04Å; L265-L274 HydrophobicContact CD2-CD1 3.69Å; Y268-L274 HydrophobicContact CD2-CD1 3.89Å; Y268-L274 HydrophobicContact CD2-CG 4.37Å; Y268-L274 HydrophobicContact CG-CD1 4.44Å; Y268-L274 PolarHBondContact O-N 2.94Å; Y269-L274 VanDerWaalsContact CA-O 3.3Å; Y269-L274 WeakPolarHBondContact CA-O 3.46Å; Y269-L274 HydrophobicContact CD1-CB 4.31Å; L274-Q285 CarbonylContact C-O 3.53Å; L274-Q285 WeakPolarHBondContact CA-O 3.28Å; L274-F286 HydrophobicContact CD2-CD1 3.54Å; L274-F286 HydrophobicContact CD2-CD2 4.47Å; L274-F286 HydrophobicContact CD2-CE1 3.77Å; L274-F286 HydrophobicContact CD2-CG 3.93Å; L274-F286 HydrophobicContact CD2-CZ 4.33Å
275A96.4Very high95.7Very high35 Ų3574.9 Ų74.929%0.28936%0.358SS..EExtended strand (participates in β ladder)trans-110.7153.5159.200000109.9Q285A275-Q285 HydrophobicContact CB-CB 4.37Å; A275-Q285 PolarHBondContact N-O 3.36Å; A275-Q285 PolarHBondContact O-N 3.39Å
276K95.4Very high95.7Very high100 Ų10075.1 Ų75.144%0.43536%0.359SS..EExtended strand (participates in β ladder)trans-83.3131167.6-179.1174.2160.5-129.20108.1Y269 E278Y269-K276 HydrophobicContact CD1-CB 4.46Å; Y269-K276 HydrophobicContact CE1-CB 3.89Å; Y269-K276 HydrophobicContact CE2-CB 3.99Å; Y269-K276 HydrophobicContact CE2-CD 4.3Å; K276-E278 VanDerWaalsContact CD-OE1 3.3Å; K276-E278 WeakPolarHBondContact CD-OE1 3.45Å; K276-E278 VanDerWaalsContact CE-OE1 3.29Å; K276-E278 WeakPolarHBondContact CE-OE1 3.45Å; K276-E278 WeakPolarHBondContact CE-OE2 3.23Å; K276-E278 IonicContact NZ-OE1 2.77Å; K276-E278 PolarHBondContact NZ-OE1 3.25Å; K276-E278 IonicContact NZ-OE2 3.66Å; K276-E278 PolarHBondContact NZ-OE2 3.13Å; K276-E278 PolarHBondContact O-N 3.07Å
277V96.1Very high95.4Very high26 Ų2677.1 Ų77.116%0.15837%0.371CS..  trans-81.3114.3166.5178.70000107.6I234 Q280 V283 Q285I234-V277 HydrophobicContact CG2-CG2 3.82Å; V277-Q280 HydrophobicContact CG1-CB 4.11Å; V277-Q280 HydrophobicContact CG1-CG 4.21Å; V277-V283 HydrophobicContact CB-CB 4.14Å; V277-V283 HydrophobicContact CB-CG1 3.84Å; V277-V283 HydrophobicContact CG1-CG1 4.21Å; V277-V283 HydrophobicContact CG2-CG1 3.79Å; V277-V283 PolarHBondContact N-O 3.17Å; V277-Q285 HydrophobicContact CG2-CB 4.27Å
278E94.4Very high94.9Very high131 Ų13176.7 Ų76.761%0.61237%0.374SS*.THydrogen-bonded Turntrans-67.6155.5177.7-69.7-56.1150.200112K276 Q280K276-E278 VanDerWaalsContact CD-OE1 3.3Å; K276-E278 WeakPolarHBondContact CD-OE1 3.45Å; K276-E278 VanDerWaalsContact CE-OE1 3.29Å; K276-E278 WeakPolarHBondContact CE-OE1 3.45Å; K276-E278 WeakPolarHBondContact CE-OE2 3.23Å; K276-E278 IonicContact NZ-OE1 2.77Å; K276-E278 PolarHBondContact NZ-OE1 3.25Å; K276-E278 IonicContact NZ-OE2 3.66Å; K276-E278 PolarHBondContact NZ-OE2 3.13Å; K276-E278 PolarHBondContact O-N 3.07Å; E278-Q280 PolarHBondContact O-N 3.15Å
279G94.4Very high94.2Very high82 Ų8278.5 Ų78.585%0.84538%0.384SS*.THydrogen-bonded Turntrans71.1-28.4-171.500000115.3
280Q95.1Very high93.2Very high103 Ų10376.3 Ų76.348%0.48138%0.378SS..  trans-104.6115.5-173.1-61.3-161.244.100113.9V277 E278 V283V277-Q280 HydrophobicContact CG1-CB 4.11Å; V277-Q280 HydrophobicContact CG1-CG 4.21Å; E278-Q280 PolarHBondContact O-N 3.15Å; Q280-V283 HydrophobicContact CB-CB 3.76Å; Q280-V283 HydrophobicContact CB-CG1 4.46Å; Q280-V283 HydrophobicContact CB-CG2 3.67Å
281R95.9Very high91.7Very high229 Ų22977.6 Ų77.686%0.86438%0.381SS*.THydrogen-bonded Turntrans-70137.2174.9-64.6-173.5-179.4-162.91.3111.4V283R281-V283 PolarHBondContact O-N 3.47Å
282L96.6Very high90Very high45 Ų4575.2 Ų75.224%0.23638%0.38CS..THydrogen-bonded Turntrans62.318.6-179.8-54.7178.4000115K236 L237 Y258 Y284K236-L282 WeakPolarHBondContact CA-O 3.37Å; L237-L282 HydrophobicContact CB-CB 4.2Å; L237-L282 PolarHBondContact N-O 2.98Å; L237-L282 WeakPolarHBondContact O-CB 3.19Å; Y258-L282 HydrophobicContact CD2-CD2 4.5Å; Y258-L282 HydrophobicContact CE1-CD2 4.13Å; Y258-L282 HydrophobicContact CE2-CD2 3.71Å; Y258-L282 WeakPolarHBondContact OH-CD2 2.79Å; L282-Y284 VanDerWaalsContact C-CE2 3.43Å; L282-Y284 WeakPolarHBondContact O-CD2 2.82Å; L282-Y284 WeakPolarHBondContact O-CE2 3.31Å
283V96.8Very high88.7Confident2 Ų275.2 Ų75.21%0.01237%0.373CS..EExtended strand (participates in β ladder)trans-108.5135.1176.8-1740000110.4I234 F235 K236 V277 Q280 R281I234-V283 HydrophobicContact CG2-CG1 3.53Å; F235-V283 WeakPolarHBondContact O-CA 3.45Å; K236-V283 HydrophobicContact CB-CG2 3.98Å; K236-V283 HydrophobicContact CD-CG2 3.77Å; K236-V283 HydrophobicContact CG-CG2 3.77Å; V277-V283 HydrophobicContact CB-CB 4.14Å; V277-V283 HydrophobicContact CB-CG1 3.84Å; V277-V283 HydrophobicContact CG1-CG1 4.21Å; V277-V283 HydrophobicContact CG2-CG1 3.79Å; V277-V283 PolarHBondContact N-O 3.17Å; Q280-V283 HydrophobicContact CB-CB 3.76Å; Q280-V283 HydrophobicContact CB-CG1 4.46Å; Q280-V283 HydrophobicContact CB-CG2 3.67Å; R281-V283 PolarHBondContact O-N 3.47Å
284Y97Very high87.2Confident7 Ų776.1 Ų76.13%0.02738%0.38CS..EExtended strand (participates in β ladder)trans-139.6154.6-172.5-56.2-92.5000109.2I234 F235 L237 Y258 L265 Y269 L282I234-Y284 CarbonylContact C-O 3.47Å; I234-Y284 WeakPolarHBondContact CA-O 3.36Å; I234-Y284 WeakPolarHBondContact CG2-O 3.49Å; F235-Y284 WeakPolarHBondContact CD1-O 3.33Å; F235-Y284 HydrophobicContact CD2-CD2 4.5Å; F235-Y284 AromaticContact CE2-CD2 3.98Å; F235-Y284 HydrophobicContact CE2-CD2 3.98Å; F235-Y284 HydrophobicContact CE2-CG 4.19Å; F235-Y284 VanDerWaalsContact CZ-CB 3.49Å; F235-Y284 HydrophobicContact CZ-CD2 4.4Å; F235-Y284 HydrophobicContact CZ-CG 4.15Å; F235-Y284 PolarHBondContact N-O 3.34Å; F235-Y284 PolarHBondContact O-N 3.11Å; L237-Y284 HydrophobicContact CD1-CD2 3.94Å; L237-Y284 HydrophobicContact CD1-CE2 3.9Å; Y258-Y284 PolarHBondContact OH-OH 3.31Å; L265-Y284 HydrophobicContact CB-CE1 4.09Å; L265-Y284 HydrophobicContact CD1-CE1 3.84Å; L265-Y284 HydrophobicContact CD1-CE2 4.31Å; L265-Y284 HydrophobicContact CG-CE1 4.42Å; Y269-Y284 HydrophobicContact CE1-CD1 4.1Å; Y269-Y284 HydrophobicContact CE1-CE1 4.33Å; Y269-Y284 VanDerWaalsContact OH-CE1 3.27Å; Y269-Y284 WeakPolarHBondContact OH-CE1 3.47Å; L282-Y284 VanDerWaalsContact C-CE2 3.43Å; L282-Y284 WeakPolarHBondContact O-CD2 2.82Å; L282-Y284 WeakPolarHBondContact O-CE2 3.31Å
285Q96.2Very high85.3Confident65 Ų6581.6 Ų81.630%0.30441%0.408SS..EExtended strand (participates in β ladder)trans-124.7134.6175.9-178.5173.222.500109.7K232 G233 I234 L274 A275 V277K232-Q285 WeakPolarHBondContact O-CG 3.29Å; K232-Q285 PolarHBondContact O-NE2 2.82Å; G233-Q285 WeakPolarHBondContact O-CA 3.38Å; I234-Q285 HydrophobicContact CG1-CB 4.1Å; I234-Q285 HydrophobicContact CG1-CG 3.85Å; L274-Q285 CarbonylContact C-O 3.53Å; L274-Q285 WeakPolarHBondContact CA-O 3.28Å; A275-Q285 HydrophobicContact CB-CB 4.37Å; A275-Q285 PolarHBondContact N-O 3.36Å; A275-Q285 PolarHBondContact O-N 3.39Å; V277-Q285 HydrophobicContact CG2-CB 4.27Å
286F95.3Very high83.6Confident7 Ų781 Ų813%0.03140%0.4CS..EExtended strand (participates in β ladder)trans-72.8126.5165-74.1-82.1000109.3W208 L212 L215 W227 G233 F235 L274 M289W208-F286 HydrophobicContact CB-CE1 4.41Å; W208-F286 HydrophobicContact CE3-CE1 4.36Å; L212-F286 HydrophobicContact CB-CZ 4.21Å; L212-F286 HydrophobicContact CD1-CE2 4.2Å; L212-F286 HydrophobicContact CD1-CZ 4.13Å; L215-F286 HydrophobicContact CD1-CE2 4.12Å; W227-F286 AromaticContact CH2-CD2 3.97Å; W227-F286 HydrophobicContact CH2-CD2 3.97Å; W227-F286 AromaticContact CH2-CE2 3.85Å; W227-F286 HydrophobicContact CH2-CE2 3.85Å; W227-F286 HydrophobicContact CZ3-CD2 4.05Å; W227-F286 HydrophobicContact CZ3-CE2 4.2Å; G233-F286 PolarHBondContact O-N 2.93Å; F235-F286 AromaticContact CD1-CD2 3.63Å; F235-F286 HydrophobicContact CD1-CD2 3.63Å; F235-F286 AromaticContact CD1-CE2 3.5Å; F235-F286 HydrophobicContact CD1-CE2 3.5Å; F235-F286 VanDerWaalsContact CD1-CE2 3.5Å; F235-F286 HydrophobicContact CD1-CZ 4.49Å; F235-F286 AromaticContact CE1-CD2 3.45Å; F235-F286 HydrophobicContact CE1-CD2 3.45Å; F235-F286 VanDerWaalsContact CE1-CD2 3.45Å; F235-F286 AromaticContact CE1-CE2 3.23Å; F235-F286 HydrophobicContact CE1-CE2 3.23Å; F235-F286 HydrophobicContact CE1-CG 4.23Å; F235-F286 AromaticContact CE1-CZ 3.85Å; F235-F286 HydrophobicContact CE1-CZ 3.85Å; F235-F286 HydrophobicContact CG-CE2 4.47Å; F235-F286 HydrophobicContact CZ-CE2 4.02Å; F235-F286 HydrophobicContact CZ-CZ 4.27Å; L274-F286 HydrophobicContact CD2-CD1 3.54Å; L274-F286 HydrophobicContact CD2-CD2 4.47Å; L274-F286 HydrophobicContact CD2-CE1 3.77Å; L274-F286 HydrophobicContact CD2-CG 3.93Å; L274-F286 HydrophobicContact CD2-CZ 4.33Å; F286-M289 HydrophobicContact CB-CE 3.79Å; F286-M289 HydrophobicContact CD2-CE 3.72Å; F286-M289 HydrophobicContact CG-CE 3.99Å
287K90.3Very high81.7Confident156 Ų15680.9 Ų80.968%0.67840%0.404SS*.SBendtrans-71.1-35.4-177.8-166.7-169.1176.7-171.40112.1G272 I273G272-K287 VanDerWaalsContact O-CB 3.23Å; G272-K287 WeakPolarHBondContact O-CB 3.07Å; G272-K287 WeakPolarHBondContact O-CD 3.41Å; I273-K287 PolarHBondContact O-N 3.34Å
288E87.1Confident80Confident144 Ų14487.9 Ų87.967%0.67344%0.435SS*.SBendtrans-117.5127167.4-178.9177.9-176.100107P290E288-P290 WeakPolarHBondContact O-CD 3.49Å
289M81.9Confident78Confident53 Ų5387.6 Ų87.626%0.26144%0.437SS..  trans-79.1120.8178-173.392-70.500109.8W227 G233 F286 K291 I293W227-M289 HydrophobicContact CH2-CE 3.63Å; W227-M289 HydrophobicContact CH2-SD 4.49Å; W227-M289 HydrophobicContact CZ3-CE 3.81Å; W227-M289 HydrophobicContact CZ3-SD 4.49Å; G233-M289 WeakPolarHBondContact CA-SD 3.4Å; F286-M289 HydrophobicContact CB-CE 3.79Å; F286-M289 HydrophobicContact CD2-CE 3.72Å; F286-M289 HydrophobicContact CG-CE 3.99Å; M289-K291 PolarHBondContact O-N 3.43Å; M289-I293 HydrophobicContact CE-CD1 3.71Å; M289-I293 HydrophobicContact CG-CD1 3.65Å; M289-I293 HydrophobicContact SD-CD1 3.52Å; M289-I293 VanDerWaalsContact SD-CD1 3.52Å
290P73.3Confident75.6Confident24 Ų2491.3 Ų91.316%0.15643%0.43CS..  trans-61.8123.5177.4-25.938.4000111.1L212 E288 N292 I293L212-P290 HydrophobicContact CD1-CB 4.42Å; L212-P290 HydrophobicContact CD1-CG 3.99Å; L212-P290 HydrophobicContact CD2-CB 3.73Å; L212-P290 HydrophobicContact CD2-CG 3.73Å; E288-P290 WeakPolarHBondContact O-CD 3.49Å; P290-N292 PolarHBondContact O-N 3.36Å; P290-I293 WeakPolarHBondContact O-CD1 3.3Å; P290-I293 WeakPolarHBondContact O-CG1 3.28Å
291K63.2Low73.1Confident198 Ų19891.3 Ų91.386%0.86145%0.448SS*.THydrogen-bonded Turntrans-69.6-6-169.4-58.2179.1-175.7178.30114.4M289M289-K291 PolarHBondContact O-N 3.43Å
292N60.3Low71Confident104 Ų10486.5 Ų86.556%0.55644%0.435SS*.THydrogen-bonded Turntrans-102.614.6-174.466.6-87000114.2P290 V294P290-N292 PolarHBondContact O-N 3.36Å; N292-V294 PolarHBondContact O-N 3.23Å; N292-V294 VanDerWaalsContact O-N 3.17Å
293I66.7Low68.3Low28 Ų2892.7 Ų92.714%0.14447%0.465CS..  trans-62.7117.5175.8-66.9159.3000108.5L212 W227 M289 P290 I295L212-I293 HydrophobicContact CD1-CD1 4.33Å; L212-I293 HydrophobicContact CD1-CG1 4.09Å; W227-I293 HydrophobicContact CH2-CD1 4.35Å; W227-I293 HydrophobicContact CZ2-CD1 4.33Å; M289-I293 HydrophobicContact CE-CD1 3.71Å; M289-I293 HydrophobicContact CG-CD1 3.65Å; M289-I293 HydrophobicContact SD-CD1 3.52Å; M289-I293 VanDerWaalsContact SD-CD1 3.52Å; P290-I293 WeakPolarHBondContact O-CD1 3.3Å; P290-I293 WeakPolarHBondContact O-CG1 3.28Å; I293-I295 PolarHBondContact O-N 2.95Å
294V63.2Low65.8Low56 Ų5697.7 Ų97.734%0.33950%0.501SS..  trans-62.1114.5168.9-179.80000107.3N292 I296N292-V294 PolarHBondContact O-N 3.23Å; N292-V294 VanDerWaalsContact O-N 3.17Å; V294-I296 HydrophobicContact CG1-CG1 4.22Å; V294-I296 PolarHBondContact O-N 3.19Å
295I56.6Low63.2Low118 Ų118102 Ų10261%0.60553%0.531SS*.  trans-62.4110.4172.6-55.6-180000106.8I293 D297I293-I295 PolarHBondContact O-N 2.95Å; I295-D297 VanDerWaalsContact CG2-CG 3.46Å; I295-D297 WeakPolarHBondContact CG2-OD1 3.44Å; I295-D297 WeakPolarHBondContact CG2-OD2 3.45Å
296I60.6Low61.4Low24 Ų24103.4 Ų103.412%0.12355%0.546CS..  trans-105.289.6170.1-69.7167.8000103.8Q216 K218 R230 V294Q216-I296 WeakPolarHBondContact O-CD1 3.44Å; K218-I296 HydrophobicContact CD-CG2 3.97Å; K218-I296 HydrophobicContact CG-CD1 3.82Å; K218-I296 HydrophobicContact CG-CG1 4.44Å; K218-I296 HydrophobicContact CG-CG2 3.99Å; R230-I296 VanDerWaalsContact CZ-O 3.27Å; R230-I296 PolarHBondContact NH1-O 2.86Å; R230-I296 PolarHBondContact NH2-O 3.36Å; V294-I296 HydrophobicContact CG1-CG1 4.22Å; V294-I296 PolarHBondContact O-N 3.19Å
297D55.3Low58.7Low96 Ų96109.6 Ų109.651%0.51358%0.58SS.*  trans-66141.4167.8-60.2-50.7000108.7R230 I295 D299R230-D297 IonicContact NH1-OD1 2.67Å; I295-D297 VanDerWaalsContact CG2-CG 3.46Å; I295-D297 WeakPolarHBondContact CG2-OD1 3.44Å; I295-D297 WeakPolarHBondContact CG2-OD2 3.45Å; D297-D299 VanDerWaalsContact CB-OD1 3.24Å; D297-D299 WeakPolarHBondContact CB-OD1 3.38Å
298E59.1Low56.3Low174 Ų174110 Ų11081%0.81359%0.589SS**  trans-118.640.3-179.1-163.3161.5103.700107.7
299D52.5Low54.3Low124 Ų124110.2 Ų110.266%0.66359%0.594SS**  trans-82.8163174.259-114.4000112.5D297 A301D297-D299 VanDerWaalsContact CB-OD1 3.24Å; D297-D299 WeakPolarHBondContact CB-OD1 3.38Å; D299-A301 PolarHBondContact O-N 3.02Å
300K45.6Very low52.6Low160 Ų160115.6 Ų115.670%0.69662%0.621SS**  trans5846.3166.8-112.2-162.7-174.3-1560118.2E302K300-E302 HydrophobicContact CD-CG 4.13Å; K300-E302 WeakPolarHBondContact CD-OE1 3.5Å; K300-E302 WeakPolarHBondContact CE-OE1 3.36Å; K300-E302 HydrophobicContact CG-CG 3.95Å; K300-E302 IonicContact NZ-OE1 2.6Å; K300-E302 PolarHBondContact NZ-OE1 3.35Å; K300-E302 PolarHBondContact O-N 3.05Å
301A42.8Very low50.7Low104 Ų104120.5 Ų120.586%0.8666%0.655SS**  trans-69.187.6139.600000108.6D299 M303D299-A301 PolarHBondContact O-N 3.02Å; A301-M303 PolarHBondContact O-N 3Å
302E50.1Low49.4Very low127 Ų127115.5 Ų115.559%0.59365%0.646SS**  trans-64.4127.8174-67.3-174.1-177.100110.5K300K300-E302 HydrophobicContact CD-CG 4.13Å; K300-E302 WeakPolarHBondContact CD-OE1 3.5Å; K300-E302 WeakPolarHBondContact CE-OE1 3.36Å; K300-E302 HydrophobicContact CG-CG 3.95Å; K300-E302 IonicContact NZ-OE1 2.6Å; K300-E302 PolarHBondContact NZ-OE1 3.35Å; K300-E302 PolarHBondContact O-N 3.05Å
303M40.9Very low48.3Very low176 Ų176118.9 Ų118.987%0.86766%0.658SS**  trans-135.868.4154-165.9163.6-172.900109.9A301 S305A301-M303 PolarHBondContact O-N 3Å; M303-S305 VanDerWaalsContact C-N 3.31Å; M303-S305 PolarHBondContact O-N 2.85Å
304S43.6Very low46.9Very low107 Ų107122.8 Ų122.875%0.74869%0.688SS**  trans-63.993.8158.9-52.40000107.9
305S43.6Very low45.4Very low96 Ų96128.6 Ų128.667%0.67171%0.712SS**  trans-71.7136169.7-164.90000108.8M303M303-S305 VanDerWaalsContact C-N 3.31Å; M303-S305 PolarHBondContact O-N 2.85Å
306P57.2Low44.1Very low96 Ų96128.3 Ų128.362%0.62372%0.72SS**  trans-84.1167.3-17736.3-37.5000112.6
307D38.3Very low42.7Very low137 Ų137131.4 Ų131.473%0.73374%0.744SS**  trans66.3147.2169.8-51.5-55.4000115
308D41.1Very low41.7Very low164 Ų164136.9 Ų136.988%0.87776%0.759SS**  cis-116.2166.816.7-92.5-65.2000116
309L45.6Very low40.4Very low149 Ų149135.7 Ų135.778%0.7876%0.758SS**  trans-98151.4176.2-87.8157.3000112.8
310M45.5Very low39.6Very low166 Ų166139.9 Ų139.982%0.81876%0.764SS**  trans47.9116.1147-78.8-77.9171.400120
311S32.3Very low39.1Very low126 Ų126138.2 Ų138.288%0.88177%0.768SS**  -166.9161.4117.5-84.40000112.9
312S37.5Very low39.3Very low94 Ų94138.4 Ų138.466%0.65776%0.76SS**  trans-88.6156.5-168.7-560000114.8
313E36.2Very low39.7Very low174 Ų174137.8 Ų137.881%0.81377%0.767SS**  42151.9128-58.3168.1129.700122.4
314S36.7Very low39.8Very low111 Ų111135.4 Ų135.478%0.77677%0.765SS**  trans97.7105159.377.70000120.2
315Q33.2Very low39.4Very low178 Ų178135.4 Ų135.483%0.83277%0.765SS**  trans52.4113.4131-66.8-177.6-22.600122.8
316S29.4Very low38.7Very low111 Ų111138.8 Ų138.878%0.77677%0.77SS**  88.4168.5124.5810000120.4
317S30.9Very low37.9Very low90 Ų90144.8 Ų144.863%0.62978%0.78SS**  trans77.8107.5173-68.50000118.9
318Y33.3Very low38.3Very low210 Ų210143.6 Ų143.682%0.82478%0.78SS**  trans21.2154.5138.477.3-101.1000121.3
319D31.9Very low37.9Very low149 Ų149142.3 Ų142.380%0.79777%0.771SS**  cis-146.4-179.34-160.6-144.8000113.2
320R35.2Very low37.3Very low212 Ų212141.9 Ų141.980%0.878%0.775SS**  trans-67.3127.8-170.2-162.9171.1-172.5153.51.5117.2
321V37Very low36.6Very low126 Ų126139.2 Ų139.276%0.76477%0.768SS**  trans78.8151.6138.3166.10000119.8
322P45.1Very low36.7Very low108 Ų108142.6 Ų142.670%0.70177%0.769SS**  trans-122.2-146.6-168.843.4-25.2000111.7
323P59.3Low36.4Very low114 Ų114145.4 Ų145.474%0.7478%0.777SS**  -101.8-162.3-55.336.2-19.8000110.2
324P43.5Very low37.4Very low126 Ų126142.3 Ų142.382%0.81877%0.772SS**  -151.1-178.987.340-20.5000115.9
325S34.2Very low37Very low107 Ų107141.7 Ų141.775%0.74877%0.774SS**  trans-80.3159.3177-51.40000114.1
326E29.5Very low37Very low167 Ų167137.7 Ų137.778%0.7877%0.771SS**  169.8-177.4118.8-85.1-91.664.700111.5
327R40.3Very low37.2Very low222 Ų222139 Ų13984%0.83878%0.775SS**  trans-111.3-154.8-164.8-44.1170.6-176.9157.80.6110.2
328P46.3Very low37.4Very low111 Ų111140.9 Ų140.972%0.72178%0.782SS**  cis-142.5-166.6-16.630.8-4.4000115.1
329I33.8Very low37.4Very low137 Ų137136.5 Ų136.570%0.70378%0.782SS**  trans55115.3155.6-31.1-172.8000122.6V331I329-V331 HydrophobicContact CG2-CB 4.35Å; I329-V331 HydrophobicContact CG2-CG2 3.39Å
330V33.2Very low37.3Very low140 Ų140132.9 Ų132.985%0.84878%0.78SS**  -156.1119.7127.5174.80000105
331V30.7Very low38Very low111 Ų111128.8 Ų128.867%0.67378%0.781SS**  cis73.390.741.5-177.40000115.1I329I329-V331 HydrophobicContact CG2-CB 4.35Å; I329-V331 HydrophobicContact CG2-CG2 3.39Å
332Q34.1Very low37.7Very low197 Ų197127.1 Ų127.192%0.92178%0.78SS**  trans-155.5161140.3-114.7172.623.900111.9
333N31.3Very low37Very low152 Ų152128.2 Ų128.281%0.81379%0.785SS**  trans-150.2-164.2-163.6-153.823.1000109.4
334P55.8Low35.7Very low110 Ų110131.3 Ų131.371%0.71479%0.791SS**  -121165.2-101.139.1-24.9000116.8
335A29.5Very low35Very low98 Ų98129.5 Ų129.581%0.8179%0.787SS**  trans-164.6136.1147.400000108.7
336A32.2Very low34.7Very low94 Ų94129.5 Ų129.578%0.77779%0.794SS**  cis100.410019.100000115.4
337T34Very low34.7Very low139 Ų139126 Ų12685%0.85379%0.793SS**  trans-158.7101158-70.30000111.8
338V34.8Very low35.3Very low128 Ų128120.5 Ų120.578%0.77679%0.786SS**  trans52.5116.2135.7161.90000122.5
339S33Very low34.6Very low119 Ų119125.9 Ų125.983%0.83279%0.792SS**  trans69.1139.1139.8-61.70000123.9
340G31.4Very low34.4Very low73 Ų73125.8 Ų125.875%0.75379%0.792SS**  trans-112.3-141.317100000112.8
341P48.2Very low34.4Very low126 Ų126124.1 Ų124.182%0.81878%0.782SS**  cis-140.3163.919.742.9-24.9000119.2
342A31.6Very low34.2Very low91 Ų91123.9 Ų123.975%0.75278%0.78SS**  trans78.6154.2141.400000124.7
343V31.3Very low34Very low131 Ų131120.5 Ų120.579%0.79477%0.773SS**  trans82.878.2158.8-153.20000122.2
344M30.9Very low33.8Very low178 Ų178117.5 Ų117.588%0.87776%0.764SS**  57.4123.6126.3-54.7-149.787.400125.4
345A29.8Very low32.8Very low88 Ų88115.2 Ų115.273%0.72776%0.755SS**  90.4108.2121.500000124.9
346A28.3Very low32.8Very low108 Ų108113.5 Ų113.589%0.89374%0.74SS**  81.6160.1124.700000122.5
347A29.2Very low33.7Very low92 Ų92113.8 Ų113.876%0.7673%0.734SS**  trans-147.8-157-173.400000109.4
348P51.5Low33.6Very low107 Ų107112.2 Ų112.270%0.69572%0.721SS**  cis-137.4172.7-24.440.1-22.4000116.2
349R32.8Very low33.7Very low224 Ų224111.8 Ų111.885%0.84572%0.718SS**  trans36.2138.2138.6-67.4-177.2175.5-167.1-1.2125.8
350I29.5Very low33.7Very low135 Ų135111 Ų11169%0.69271%0.712SS**  trans73.5132.9139.4-65.7165000118.5
351V31.8Very low33.8Very low106 Ų106115.4 Ų115.464%0.64271%0.713SS**  72.6154.554.2-1040000116.4N219N219-V351 PolarHBondContact ND2-O 3.13Å
352T28.2Very low32.9Very low105 Ų105114.3 Ų114.364%0.64470%0.704SS**  cis-161.716118.5-18.10000115.8
353V28.5Very low32.7Very low127 Ų127117.8 Ų117.877%0.7771%0.707SS**  trans51.8128.6155.7-79.10000128.3
354S27.9Very low32.5Very low89 Ų89115.7 Ų115.762%0.62270%0.698SS**  62.5167117-142.60000127.5K195K195-S354 WeakPolarHBondContact CE-O 3.43Å; K195-S354 PolarHBondContact NZ-O 3.09Å
355A35.2Very low32.3Very low62 Ų62115.4 Ų115.451%0.51269%0.694SS.*  trans84.6151.7148.900000126.6K194 K195K194-A355 WeakPolarHBondContact CD-O 3.35Å; K194-A355 PolarHBondContact NZ-O 3.19Å; K194-A355 VanDerWaalsContact NZ-O 3.15Å; K195-A355 VanDerWaalsContact CE-O 3.3Å; K195-A355 WeakPolarHBondContact CE-O 3.05Å; K195-A355 WeakPolarHBondContact CG-O 3.48Å
356A28.9Very low32.3Very low61 Ų61118.5 Ų118.550%0.50470%0.697SS.*  trans-73.7-171.5-169.500000115.6K194K194-A356 VanDerWaalsContact CD-C 3.46Å; K194-A356 VanDerWaalsContact NZ-C 3.33Å; K194-A356 PolarHBondContact NZ-O 3.2Å
357P52.1Low33Very low100 Ų100118.3 Ų118.365%0.64969%0.687SS**  cis-140.2-124.735.542.9-18.6000117.3
358D31.2Very low32.9Very low107 Ų107119.6 Ų119.657%0.57269%0.691SS**  trans-161.9-171.2-143.4-154.2-68.6000113.3K193K193-D358 WeakPolarHBondContact CE-OD2 3.45Å; K193-D358 IonicContact NZ-OD2 3.91Å; K193-D358 PolarHBondContact NZ-OD2 3.15Å
359V36.2Very low31.8Very low118 Ų118118.6 Ų118.672%0.71569%0.691SS**  trans123.7112.4149.4177.40000119.9
360S32.5Very low31.6Very low103 Ų103114.3 Ų114.372%0.7269%0.69SS**  trans51156.3142.3-63.30000122.4
361Q33.4Very low31.7Very low166 Ų166112.1 Ų112.178%0.77669%0.692SS**  cis-162.3168.81.8-128.3-163.5108.600107.4
362T30Very low32.2Very low102 Ų102112.4 Ų112.463%0.62670%0.696SS**  cis-153.9-176.9-6.3-21.70000105
363M28Very low32.3Very low165 Ų165118.9 Ų118.981%0.81371%0.709SS**  cis-148.9-156.91.2-150.914474.600105.8
364S26.1Very low32.4Very low86 Ų86120.8 Ų120.860%0.60171%0.714SS**  cis-159.5-151.39.2-159.80000111.8
365Q28.1Very low33.1Very low172 Ų172122.3 Ų122.380%0.80472%0.719SS**  trans-50.1141.8178.5-62.9166.520.900114.3
366I28.2Very low32.8Very low154 Ų154126.5 Ų126.579%0.7973%0.733SS**  cis129.9138.710.2-90.8165.3000107.9
367P43.3Very low33Very low103 Ų103135 Ų13567%0.66975%0.752SS**  cis-142177.3-2141-22.1000117.1
368S28.1Very low32.2Very low120 Ų120137 Ų13784%0.83976%0.762SS**  trans66.5145.2148.3-70.80000122.2
369A28.9Very low32.3Very low85 Ų85138 Ų13870%0.70277%0.772SS**  cis-158.7139.7-4.400000115.8
370T27.2Very low32.2Very low135 Ų135143.9 Ų143.983%0.82878%0.781SS**  trans61.297.2135.1-46.20000125.1
371A31.5Very low32.2Very low88 Ų88145.6 Ų145.673%0.72779%0.787SS**  74.3166.5129.200000122.8
372P42.2Very low32.2Very low112 Ų112142.1 Ų142.173%0.72779%0.787SS**  -142.8165.4-54.341.2-25.3000118.2
373R31.9Very low32.2Very low242 Ų242146 Ų14691%0.91380%0.8SS**  trans62.3120.7151.6-74.1176.1174.1-175.1-0.8122.4
374L29.2Very low32.6Very low167 Ų167147 Ų14787%0.87480%0.803SS**  -177.1157.899-164.262.5000112.1
375V42.2Very low32.9Very low120 Ų120149.2 Ų149.273%0.72781%0.813SS**  trans-94.7161.4-175.3-66.70000115.4
376N28.8Very low33.4Very low151 Ų151146.9 Ų146.981%0.80781%0.812SS**  trans-148.1162.9156.3-94.5-63.1000112.5
377R34.4Very low33.9Very low239 Ų239145.7 Ų145.790%0.90281%0.812SS**  trans-119.1158.5-170.8-66174.7171.5133.4-5.6112.5
378T35.5Very low33.6Very low142 Ų142147 Ų14787%0.87182%0.817SS**  trans-108137173.1-53.20000111.6
379V32.2Very low33.9Very low129 Ų129149.6 Ų149.678%0.78282%0.819SS**  trans-95.8144.5175178.10000109.9
380R34.8Very low34.7Very low240 Ų240151.8 Ų151.891%0.90682%0.823SS**  trans-105.5137.2169.7-64.9-174.6-173.8-106.33.5110.2
381V32.9Very low35.9Very low139 Ų139150.3 Ų150.384%0.84282%0.818SS**  trans-98.8138.8165.7-179.20000108.1
382A31.9Very low36.4Very low93 Ų93154.6 Ų154.677%0.76983%0.828SS**  trans-87143.617400000110.7
383M31Very low36.9Very low183 Ų183152.7 Ų152.790%0.90183%0.829SS**  trans-118.6137.5164.1-82.5-172.865.800109.7
384Q35.8Very low37.1Very low186 Ų186150.5 Ų150.587%0.86983%0.829SS**PPolyproline II helixtrans-87.7151.8175.6-64.2164.7-7.300109.5
385V33.4Very low37.4Very low134 Ų134152.7 Ų152.781%0.81283%0.831SS**PPolyproline II helixtrans-102.3132.3166.6-179.40000107.3
386P38.8Very low37.1Very low123 Ų123154.5 Ų154.580%0.79984%0.836SS**PPolyproline II helixtrans-62.9150.3-174-25.735.7000114.9
387V37.9Very low37Very low128 Ų128152.9 Ų152.978%0.77684%0.836SS**PPolyproline II helixtrans-82.3144.4171.9172.10000109.9
388V36Very low37Very low130 Ų130146.9 Ų146.979%0.78883%0.826SS**PPolyproline II helixtrans-76.3122.6168.91790000108.9
389M35.2Very low36.6Very low176 Ų176146.4 Ų146.487%0.86782%0.823SS**  trans-105.9118.7167.8-71.6-167.569.700110
390T45.3Very low36.6Very low131 Ų131144.1 Ų144.180%0.80482%0.817SS**  trans-86.5155.7164.747.40000110.2
391S52.3Low36.2Very low103 Ų103141.5 Ų141.572%0.7282%0.817SS**  trans-94.2123.1-166.947.10000114
392L42Very low36Very low179 Ų179143 Ų14394%0.93782%0.815SS**  trans-141.2135.1141.3-161.262000109.4
393G52.6Low36.2Very low72 Ų72146.4 Ų146.474%0.74282%0.815SS**  trans-75.1142.8-152.200000116.7
394Q37.1Very low36.1Very low195 Ų195143.8 Ų143.891%0.91181%0.812SS**  trans-123152.7149.9-70.9-167.4-15.800109.6
395K34.7Very low35.8Very low213 Ų213140.1 Ų140.193%0.92681%0.813SS**  trans-66141.5-168.3-100.7-174.5174-177.80112.9
396I36.9Very low35.5Very low159 Ų159137.1 Ų137.182%0.81581%0.809SS**  trans-61.2133.5164.7-58.6162.8000109.2
397S27.2Very low35.1Very low116 Ų116137.7 Ų137.781%0.81181%0.811SS**  trans-126.7126.9148.5-166.30000107.7
398T33.3Very low34.8Very low113 Ų113137.5 Ų137.569%0.69381%0.81SS**  trans-95.6136.3-174.6-171.60000110.7
399V27.7Very low34.6Very low133 Ų133138.2 Ų138.281%0.80682%0.815SS**  trans-127.578168.9-170.60000108.2M401V399-M401 PolarHBondContact O-N 3.07Å
400A31.6Very low34.5Very low80 Ų80134.1 Ų134.166%0.66181%0.808SS**  trans-73.3114.8170.300000109.2Q402A400-Q402 PolarHBondContact O-N 3.21Å; A400-Q402 VanDerWaalsContact O-N 3.11Å
401M25.8Very low34.7Very low186 Ų186134.1 Ų134.192%0.91681%0.811SS**  trans-74.2103.6166.4-90.2-159.2157.800109.9V399 Q403V399-M401 PolarHBondContact O-N 3.07Å; M401-Q403 PolarHBondContact O-N 3.34Å
402Q29.1Very low33.6Very low171 Ų171132.7 Ų132.780%0.79981%0.812SS**PPolyproline II helixtrans-53.5123.5-179.7-17171.553.200112.5A400A400-Q402 PolarHBondContact O-N 3.21Å; A400-Q402 VanDerWaalsContact O-N 3.11Å
403Q35.8Very low33.6Very low164 Ų164129.8 Ų129.877%0.76680%0.804SS**PPolyproline II helixtrans-80.1135.5159.2-66.9-175.6-86.600109.8M401M401-Q403 PolarHBondContact O-N 3.34Å
404P29.8Very low32.8Very low128 Ų128132 Ų13283%0.83180%0.803SS**PPolyproline II helixtrans-65.3141.9153.9-17.732.6000109.9
405A29.6Very low32.7Very low108 Ų108128 Ų12889%0.89379%0.793SS**PPolyproline II helixtrans-101.7163.4-161.900000115.4
406G27.1Very low32.9Very low71 Ų71123.4 Ų123.473%0.73278%0.777SS**  trans132.8113.1177.100000111
407T29.9Very low32.8Very low135 Ų135123.5 Ų123.583%0.82878%0.779SS**  cis-148170.74.9-51.10000109.4
408T32.7Very low33.2Very low124 Ų124123.2 Ų123.276%0.76177%0.772SS**  trans-46.8150.8175.450.90000113.2
409V31.8Very low33.2Very low146 Ų146125.1 Ų125.189%0.88578%0.778SS**  -148-179.757.7-160.40000111.9
410A32.9Very low33.6Very low89 Ų89122.5 Ų122.574%0.73677%0.77SS**  trans-92.3-155.6-171.300000114.9
411P49.5Very low33.5Very low132 Ų132123.7 Ų123.786%0.85777%0.774SS**  -109.4154.8-119.434.9-18.9000116.3
412G29.6Very low34.1Very low72 Ų72121 Ų12174%0.74277%0.77SS**  trans-154.4151.2172.700000112.7
413P41.7Very low34.3Very low118 Ų118120.5 Ų120.577%0.76677%0.771SS**  trans-99.8169.3-164.838.4-37.5000116.5
414T35.9Very low34.2Very low119 Ų119117 Ų11773%0.7377%0.771SS**  trans61.9102.215740.60000119.6
415T34.7Very low34.6Very low112 Ų112116 Ų11669%0.68777%0.773SS**  trans-86.8114.5154.8-50.20000109.9L417T415-L417 HydrophobicContact CG2-CD2 4.34Å
416L37.8Very low34.9Very low115 Ų115115.8 Ų115.860%0.60277%0.771SS**  trans-84.1119.1170.2-71.7171.1000110.3T418 I437L416-T418 PolarHBondContact O-N 3.18Å; L416-I437 HydrophobicContact CD2-CG2 4.33Å
417L35.5Very low35.7Very low162 Ų162117.5 Ų117.585%0.84878%0.778SS**  trans-93.277.2177.2-70.5176.3000111.5T415 N419T415-L417 HydrophobicContact CG2-CD2 4.34Å; L417-N419 PolarHBondContact O-N 3.05Å
418T36.1Very low36.1Very low110 Ų110117.7 Ų117.768%0.67577%0.774SS**  trans-75.2106.7172.3-55.40000110.5L416 A420L416-T418 PolarHBondContact O-N 3.18Å; T418-A420 VanDerWaalsContact C-N 3.32Å; T418-A420 HydrophobicContact CG2-CB 4.26Å; T418-A420 PolarHBondContact O-N 2.81Å
419N33Very low36.7Very low153 Ų153118.1 Ų118.182%0.81878%0.779SS**  trans-78.976.6174.8-175.236.9000111.8L417L417-N419 PolarHBondContact O-N 3.05Å
420A35.6Very low37.3Very low78 Ų78118.1 Ų118.165%0.64577%0.774SS**  trans-106.1114.2172.100000110.4T418T418-A420 VanDerWaalsContact C-N 3.32Å; T418-A420 HydrophobicContact CG2-CB 4.26Å; T418-A420 PolarHBondContact O-N 2.81Å
421S29.8Very low37.8Very low105 Ų105118 Ų11873%0.73477%0.768SS**  trans-97.3119.4171.6-680000109.9
422P38.5Very low37.5Very low128 Ų128121 Ų12183%0.83177%0.771SS**  trans-84.5119.2-178.231.8-32.8000111.8
423I32.6Very low38.2Very low161 Ų161124.7 Ų124.783%0.82677%0.769SS**  trans-133135.4160.5-63.2-177.3000106.9
424A34.6Very low38.1Very low92 Ų92125.7 Ų125.776%0.7676%0.761SS**  trans-88.8145.1-167.600000114.1
425A38.7Very low38.8Very low105 Ų105123 Ų12387%0.86874%0.744SS**  trans43.487.8148.300000119.5
426A34.8Very low39.4Very low104 Ų104121.6 Ų121.686%0.8674%0.735SS**  trans-146.2135.5135.600000108.4
427A44.6Very low40Very low107 Ų107119.3 Ų119.388%0.88472%0.723SS**  trans-87.7134.2-169.700000113
428N37.5Very low40.2Very low139 Ų139119.9 Ų119.974%0.74372%0.721SS**  trans-153109.3160.2-163.3-21.2000110.1N430N428-N430 PolarHBondContact O-N 3.33Å
429P44.8Very low40.9Very low133 Ų133118.2 Ų118.286%0.86471%0.711SS**  trans-88.828.5-159.136.2-38.7000115.9
430N44.2Very low41.4Very low146 Ų146117 Ų11778%0.78170%0.703SS**  trans-144.565178.2-157.14.1000114.8N428N428-N430 PolarHBondContact O-N 3.33Å
431S44.8Very low41.7Very low88 Ų88115.2 Ų115.262%0.61569%0.685SS**  trans-133.4127.2163.768.80000111.2Q433S431-Q433 PolarHBondContact O-N 3.3Å; S431-Q433 VanDerWaalsContact O-N 3.07Å
432Q42.1Very low42.5Very low193 Ų193115.3 Ų115.390%0.90268%0.681SS**  trans-80.288.6-177.8-69.2-168.6-0.700111.5K434Q432-K434 PolarHBondContact O-N 3.28Å
433Q45.1Very low42.7Very low151 Ų151113.3 Ų113.371%0.70666%0.662SS**  trans-76.3102.4170.2-64.7-169.67.800110.7S431S431-Q433 PolarHBondContact O-N 3.3Å; S431-Q433 VanDerWaalsContact O-N 3.07Å
434K39.2Very low43.6Very low139 Ų139109.6 Ų109.660%0.60465%0.646SS**  trans-86.7106.3173.3175.9170.2170159.80110.4Q432 V436 T463Q432-K434 PolarHBondContact O-N 3.28Å; K434-V436 HydrophobicContact CG-CG2 4.38Å; K434-T463 HydrophobicContact CD-CG2 4.09Å; K434-T463 VanDerWaalsContact CE-CG2 3.44Å; K434-T463 VanDerWaalsContact CE-OG1 3.24Å; K434-T463 WeakPolarHBondContact CE-OG1 3.24Å; K434-T463 HydrophobicContact CG-CG2 4.22Å; K434-T463 PolarHBondContact NZ-OG1 3.23Å
435V50.8Low44.4Very low62 Ų62110.6 Ų110.638%0.37665%0.645SS.*  trans-78130.8171.7-176.80000109.6I437 L469V435-I437 HydrophobicContact CG1-CG1 4.32Å; V435-L469 HydrophobicContact CB-CD1 4.46Å; V435-L469 HydrophobicContact CG2-CD1 3.96Å
436V46.7Very low44.9Very low82 Ų82108 Ų10850%0.49762%0.624SS.*EExtended strand (participates in β ladder)trans-115.3117.5173178.40000108.1K434 I461K434-V436 HydrophobicContact CG-CG2 4.38Å; V436-I461 HydrophobicContact CG1-CG2 4.05Å
437I50.2Low45.7Very low67 Ų67108.1 Ų108.134%0.34461%0.614SS.*EExtended strand (participates in β ladder)trans-93.7111.2175.5-57.2177.1000107.6L416 V435 I464L416-I437 HydrophobicContact CD2-CG2 4.33Å; V435-I437 HydrophobicContact CG1-CG1 4.32Å; I437-I464 HydrophobicContact CD1-CD1 4.13Å
438Q40.5Very low46.1Very low175 Ų175104.9 Ų104.982%0.81859%0.587SS**  trans-90.2108.6175.6-173.8173.82.600109.6
439T50.5Low46.9Very low74 Ų74107.6 Ų107.645%0.45460%0.595SS.*PPolyproline II helixtrans-79.2147.7169.249.60000110.5
440I43.7Very low47.4Very low128 Ų128107.7 Ų107.766%0.65659%0.589SS**PPolyproline II helixtrans-72.8131.9174.5-58.8175.1000107.8T442I440-T442 PolarHBondContact O-N 2.98Å
441P41.3Very low48Very low41 Ų41103.4 Ų103.427%0.26658%0.58SS.*PPolyproline II helixtrans-68.3119.9-17625.8-33.6000111.8M443 Q457P441-M443 PolarHBondContact O-N 2.98Å; P441-Q457 HydrophobicContact CB-CB 4.07Å; P441-Q457 HydrophobicContact CB-CG 4.14Å; P441-Q457 HydrophobicContact CG-CG 4.33Å
442T47.9Very low48.2Very low107 Ų107104.1 Ų104.166%0.65658%0.576SS**PPolyproline II helixtrans-65.6129.4165.8-74.60000109.6I440 V444I440-T442 PolarHBondContact O-N 2.98Å; T442-V444 HydrophobicContact CG2-CG2 4.17Å
443M42.8Very low48.5Very low86 Ų86103 Ų10342%0.42457%0.568SS.*EExtended strand (participates in β ladder)trans-83.7112.8171.1-70.8-98.149.900109.4P441 V456 Q457P441-M443 PolarHBondContact O-N 2.98Å; M443-V456 VanDerWaalsContact CE-C 3.41Å; M443-V456 VanDerWaalsContact CE-O 3.31Å; M443-V456 WeakPolarHBondContact CE-O 3.46Å; M443-Q457 HydrophobicContact CE-CB 4.35Å; M443-Q457 HydrophobicContact CE-CG 3.47Å; M443-Q457 VanDerWaalsContact CE-CG 3.47Å; M443-Q457 HydrophobicContact CG-CG 4.4Å; M443-Q457 HydrophobicContact SD-CG 3.72Å
444V51.4Low48.8Very low82 Ų82100.4 Ų100.450%0.49756%0.559SS.*EExtended strand (participates in β ladder)trans-96.8118.9170.6-175.10000107.8T442 A446T442-V444 HydrophobicContact CG2-CG2 4.17Å; V444-A446 PolarHBondContact O-N 3.5Å
445P50.6Low49.3Very low114 Ų11498.5 Ų98.574%0.7456%0.559SS**EExtended strand (participates in β ladder)trans-74.3116.3174.329.2-31.7000109.6
446A50.1Low49.1Very low51 Ų5198.8 Ų98.842%0.42156%0.56SS.*EExtended strand (participates in β ladder)trans-107.9125.5171.900000109.4V444 I454V444-A446 PolarHBondContact O-N 3.5Å; A446-I454 PolarHBondContact O-N 2.98Å
447T51.3Low49.2Very low106 Ų106100.8 Ų100.865%0.6556%0.564SS**EExtended strand (participates in β ladder)trans-91.4117.2171.745.70000109.3
448A52.9Low49.2Very low39 Ų39103.9 Ų103.932%0.32258%0.581SS.*  trans-71.5153.3162.900000109.5N450 G451 D452 I454A448-N450 PolarHBondContact O-N 3.48Å; A448-G451 PolarHBondContact O-N 3.33Å; A448-G451 VanDerWaalsContact O-N 3.16Å; A448-D452 PolarHBondContact N-O 3.12Å; A448-I454 HydrophobicContact CB-CD1 4.37Å
449E54.3Low49.6Very low195 Ų19599.2 Ų99.291%0.91157%0.572SS**THydrogen-bonded Turntrans-63.9-23.7-177.466.7-165.9162.500113.3G451E449-G451 PolarHBondContact O-N 3.43Å
450N55.1Low49.4Very low135 Ų135104.1 Ų104.172%0.72259%0.587SS**THydrogen-bonded Turntrans-74.63.5176.7-5747000114.2A448 D452A448-N450 PolarHBondContact O-N 3.48Å; N450-D452 VanDerWaalsContact C-N 3.29Å; N450-D452 PolarHBondContact O-N 3.42Å
451G56.8Low49.7Very low57 Ų57104.3 Ų104.359%0.58859%0.588SS**SBendtrans86.5-20.2177.800000115.6A448 E449 K453A448-G451 PolarHBondContact O-N 3.33Å; A448-G451 VanDerWaalsContact O-N 3.16Å; E449-G451 PolarHBondContact O-N 3.43Å; G451-K453 PolarHBondContact O-N 3.21Å
452D49.1Very low50.1Low103 Ų103107.7 Ų107.755%0.55160%0.603SS**  trans-63.6129.4174.7-82.4-37.5000112.2A448 N450 I454A448-D452 PolarHBondContact N-O 3.12Å; N450-D452 VanDerWaalsContact C-N 3.29Å; N450-D452 PolarHBondContact O-N 3.42Å; D452-I454 PolarHBondContact O-N 3.25Å
453K47.7Very low50.2Low168 Ų168105.7 Ų105.773%0.7359%0.591SS**EExtended strand (participates in β ladder)trans-91.294.3-178.7-69.3-173.6-178.3-61.10110.9G451G451-K453 PolarHBondContact O-N 3.21Å
454I51.9Low50.8Low98 Ų98104.3 Ų104.350%0.50358%0.584SS.*EExtended strand (participates in β ladder)trans-86.2120.8178.6-54178.3000109.8A446 A448 D452 V456A446-I454 PolarHBondContact O-N 2.98Å; A448-I454 HydrophobicContact CB-CD1 4.37Å; D452-I454 PolarHBondContact O-N 3.25Å; I454-V456 HydrophobicContact CG2-CG2 3.93Å
455T49.3Very low50.8Low99 Ų99103.6 Ų103.661%0.60758%0.581SS**EExtended strand (participates in β ladder)trans-100105.217744.40000111
456V48Very low51Low68 Ų68101.2 Ų101.241%0.41257%0.572SS.*EExtended strand (participates in β ladder)trans-99.9123.2-177.9-172.50000110.8M443 I454 L458M443-V456 VanDerWaalsContact CE-C 3.41Å; M443-V456 VanDerWaalsContact CE-O 3.31Å; M443-V456 WeakPolarHBondContact CE-O 3.46Å; I454-V456 HydrophobicContact CG2-CG2 3.93Å; V456-L458 HydrophobicContact CG1-CD2 4.16Å; V456-L458 HydrophobicContact CG1-CG 4.17Å
457Q48.3Very low51.1Low124 Ų124105.3 Ų105.358%0.57958%0.582SS**EExtended strand (participates in β ladder)trans-87.4107.5169.4-75.7-167.7-3.100110.7P441 M443 A459P441-Q457 HydrophobicContact CB-CB 4.07Å; P441-Q457 HydrophobicContact CB-CG 4.14Å; P441-Q457 HydrophobicContact CG-CG 4.33Å; M443-Q457 HydrophobicContact CE-CB 4.35Å; M443-Q457 HydrophobicContact CE-CG 3.47Å; M443-Q457 VanDerWaalsContact CE-CG 3.47Å; M443-Q457 HydrophobicContact CG-CG 4.4Å; M443-Q457 HydrophobicContact SD-CG 3.72Å; Q457-A459 PolarHBondContact O-N 3.27Å
458L50Low50.9Low132 Ų132105 Ų10569%0.69157%0.573SS**  trans-94.391.7174.6-69172.1000110.5V456V456-L458 HydrophobicContact CG1-CD2 4.16Å; V456-L458 HydrophobicContact CG1-CG 4.17Å
459A49.3Very low50.9Low76 Ų76106.1 Ų106.163%0.62857%0.573SS**  trans-84.2121.1172.700000110.9Q457Q457-A459 PolarHBondContact O-N 3.27Å
460K44.9Very low50.5Low177 Ų177102.7 Ų102.777%0.7757%0.566SS**  trans-113.998.4-177.8-160169.6-174175.30110.5I462K460-I462 PolarHBondContact O-N 3.48Å
461I51.4Low50.3Low132 Ų132104.7 Ų104.768%0.67757%0.57SS**PPolyproline II helixtrans-77.9116.9-176.6-56.3174.5000109.9V436V436-I461 HydrophobicContact CG1-CG2 4.05Å
462I48.6Very low49.7Very low112 Ų112106.7 Ų106.757%0.57458%0.575SS**EExtended strand (participates in β ladder)trans-98.6119.7171.9-54.7179.9000108.5K460 I464K460-I462 PolarHBondContact O-N 3.48Å; I462-I464 HydrophobicContact CG2-CG1 4.02Å
463T51.5Low49.3Very low66 Ų66110 Ų11041%0.40559%0.587SS.*EExtended strand (participates in β ladder)trans-91.4122.6165.9-67.80000108.3K434K434-T463 HydrophobicContact CD-CG2 4.09Å; K434-T463 VanDerWaalsContact CE-CG2 3.44Å; K434-T463 VanDerWaalsContact CE-OG1 3.24Å; K434-T463 WeakPolarHBondContact CE-OG1 3.24Å; K434-T463 HydrophobicContact CG-CG2 4.22Å; K434-T463 PolarHBondContact NZ-OG1 3.23Å
464I55Low48.9Very low56 Ų56110.2 Ų110.229%0.28760%0.595SS.*PPolyproline II helixtrans-103.2125174-60.2179.5000108.4I437 I462 Q468 L469I437-I464 HydrophobicContact CD1-CD1 4.13Å; I462-I464 HydrophobicContact CG2-CG1 4.02Å; I464-Q468 HydrophobicContact CG2-CB 3.75Å; I464-Q468 HydrophobicContact CG2-CG 4.49Å; I464-L469 HydrophobicContact CG2-CD2 4.41Å; I464-L469 HydrophobicContact CG2-CG 4.48Å
465P51.7Low48Very low67 Ų67114.8 Ų114.844%0.43561%0.614SS.*PPolyproline II helixtrans-62.2140.9172.6-22.734.2000111.7H467 Q468P465-H467 PolarHBondContact O-N 3.32Å; P465-Q468 WeakPolarHBondContact O-CB 3.31Å; P465-Q468 PolarHBondContact O-N 3.47Å
466A53.8Low46.9Very low65 Ų65114.9 Ų114.954%0.53763%0.625SS.*G310 helixtrans-56.8-29.7-173.200000114.4Q468 L469A466-Q468 PolarHBondContact O-N 3.45Å; A466-L469 PolarHBondContact O-N 3.38Å
467H51.5Low46.1Very low137 Ų137116.8 Ų116.863%0.63464%0.641SS**G310 helixtrans-68.2-12.8178.268.6-109.8000114.5P465P465-H467 PolarHBondContact O-N 3.32Å
468Q47.7Very low45.7Very low99 Ų99117 Ų11746%0.46365%0.653SS.*G310 helixtrans-89.9-13.2177.9-62.7-70.9-30.400113I464 P465 A466 T470I464-Q468 HydrophobicContact CG2-CB 3.75Å; I464-Q468 HydrophobicContact CG2-CG 4.49Å; P465-Q468 WeakPolarHBondContact O-CB 3.31Å; P465-Q468 PolarHBondContact O-N 3.47Å; A466-Q468 PolarHBondContact O-N 3.45Å; Q468-T470 PolarHBondContact O-N 3.48Å
469L53Low44.8Very low63 Ų63114.6 Ų114.633%0.3366%0.66SS.*G310 helixtrans-76.4-18.9-170.9-74.8170.4000114.4V435 I464 A466 Q471 C472V435-L469 HydrophobicContact CB-CD1 4.46Å; V435-L469 HydrophobicContact CG2-CD1 3.96Å; I464-L469 HydrophobicContact CG2-CD2 4.41Å; I464-L469 HydrophobicContact CG2-CG 4.48Å; A466-L469 PolarHBondContact O-N 3.38Å; L469-Q471 PolarHBondContact O-N 3.4Å; L469-C472 PolarHBondContact O-N 3.34Å; L469-C472 VanDerWaalsContact O-N 3.12Å
470T47.2Very low44.1Very low123 Ų123115.3 Ų115.376%0.75567%0.666SS**G310 helixtrans-64.8-21.2-178.840.10000113.9Q468Q468-T470 PolarHBondContact O-N 3.48Å
471Q48.8Very low43.5Very low176 Ų176115 Ų11582%0.82267%0.673SS**G310 helixtrans-84.5-8.8176.3-164.6170-0.500113.5L469L469-Q471 PolarHBondContact O-N 3.4Å
472C44.4Very low42.7Very low100 Ų100117.9 Ų117.968%0.67668%0.681SS**SBendtrans-104.97.3-173.2-62.10000114.8L469 L474L469-C472 PolarHBondContact O-N 3.34Å; L469-C472 VanDerWaalsContact O-N 3.12Å; C472-L474 PolarHBondContact O-N 3.08Å
473Q40.6Very low42.8Very low173 Ų173118.2 Ų118.281%0.80869%0.69SS**  trans-8999.3-171.3-163.5159.740.500112.3Q475Q473-Q475 PolarHBondContact O-N 3.11Å
474L39.4Very low41.7Very low172 Ų172121.4 Ų121.490%0.90171%0.705SS**  trans-64.2129.9176.3-71.6169.9000111.7C472C472-L474 PolarHBondContact O-N 3.08Å
475Q32.8Very low40.7Very low193 Ų193126.4 Ų126.490%0.90273%0.729SS**  trans-84.4126.6-177.3-169.9177.950.500111Q473Q473-Q475 PolarHBondContact O-N 3.11Å
476A27.4Very low39.7Very low101 Ų101127.9 Ų127.984%0.83575%0.747SS**  trans-111.9115.3173.900000109.9
477S30.8Very low38.7Very low108 Ų108129.1 Ų129.176%0.75576%0.757SS**  trans-112.8138.4179.9-170.80000110.9
478P39.9Very low37.7Very low129 Ų129128 Ų12884%0.83877%0.765SS**  trans-86.3127.5-179.933.4-32.6000112.1
479G30.3Very low37Very low81 Ų81129.1 Ų129.184%0.83578%0.783SS**  trans-178.4131.6171.400000111.2
480A35.7Very low36.3Very low91 Ų91133.1 Ų133.175%0.75281%0.81SS**  trans-122.3128.5-178.400000111
481N31.1Very low35.5Very low171 Ų171130.5 Ų130.591%0.91481%0.808SS**  trans-165.5166.3136.1-102.7-41.3000112.5
482K35.6Very low34.4Very low193 Ų193130.2 Ų130.284%0.83981%0.81SS**  trans-96.1-179-173.6-62.1-179.7-179176.40111.4
483P51Low33.6Very low119 Ų119130.5 Ų130.577%0.77381%0.814SS**  -135.8-164.5-53.937.5-19.8000112.1
484N28.7Very low33.2Very low133 Ų133130.6 Ų130.671%0.71182%0.819SS**  trans116.6155.7135.3-153.121.1000118.4
485M33.2Very low33Very low161 Ų161130.6 Ų130.679%0.79382%0.819SS**  trans67.3161.6175.6-66.2-66.1100.900116.8
486A30.4Very low32.8Very low98 Ų98124.4 Ų124.481%0.8181%0.807SS**  trans-150.8-178.1-146.100000114.3
487A32.3Very low33Very low90 Ų90125.2 Ų125.274%0.74481%0.806SS**  trans87.8114.8168.600000118.6
488S31.2Very low33Very low115 Ų115125.9 Ų125.980%0.80481%0.808SS**  trans43.3115.4144.660.90000121
489S32.8Very low32.5Very low122 Ų122127.7 Ų127.785%0.85381%0.81SS**  -157.3163102.354.80000111.7
490T38Very low32.5Very low146 Ų146130 Ų13090%0.89681%0.808SS**  trans-87.9131.7178.945.70000111.6
491G30.9Very low32.2Very low69 Ų69132.2 Ų132.271%0.71181%0.812SS**  trans119.9117.816800000113.4
492I25.6Very low32.2Very low169 Ų169134.2 Ų134.287%0.86781%0.806SS**  trans-92.4102167.3-58.3177.4000107.2L494I492-L494 PolarHBondContact O-N 2.91Å
493S27Very low32.1Very low107 Ų107129.5 Ų129.575%0.74880%0.804SS**  trans-67.4115.4174.2-62.80000110.7L495S493-L495 PolarHBondContact O-N 2.95Å
494L32.2Very low31Very low174 Ų174131.5 Ų131.591%0.91181%0.807SS**  trans-8694.1168.7-145.988.6000108.9I492I492-L494 PolarHBondContact O-N 2.91Å
495L35.9Very low31.4Very low173 Ų173128.9 Ų128.991%0.90680%0.804SS**  trans-102.792.6-176.6-142.4170000109.7S493S493-L495 PolarHBondContact O-N 2.95Å
496G29.6Very low31.4Very low63 Ų63127.7 Ų127.765%0.64981%0.808SS**SBendtrans-178.256.6-171.200000114.7
497S30.6Very low31.5Very low118 Ų118129 Ų12983%0.82581%0.806SS**  trans67.8120172.3-57.30000117.5
498P32.2Very low31.8Very low121 Ų121132 Ų13279%0.78681%0.81SS**  trans-85.3129.5177.933.1-32.8000112.7
499L27.9Very low32Very low168 Ų168131.5 Ų131.588%0.8880%0.801SS**  trans-94.7112.3159.4-75.5175.3000109.4V501L499-V501 PolarHBondContact O-N 3.31Å
500T31.4Very low32.3Very low129 Ų129129.2 Ų129.279%0.79179%0.79SS**  trans-69.992.5-177.7-540000111.5R502T500-R502 VanDerWaalsContact C-N 3.28Å; T500-R502 PolarHBondContact O-N 3.19Å
501V29.6Very low32.1Very low137 Ų137128.9 Ų128.983%0.8379%0.79SS**  trans-72.286.4167-176.50000108.7L499 A503L499-V501 PolarHBondContact O-N 3.31Å; V501-A503 PolarHBondContact O-N 3.16Å; V501-A503 VanDerWaalsContact O-N 3.11Å
502R29.7Very low33Very low213 Ų213129.1 Ų129.180%0.80479%0.792SS**  trans-66.5107.4172.1-172.1176.8-171165.22.1108.4T500 L504T500-R502 VanDerWaalsContact C-N 3.28Å; T500-R502 PolarHBondContact O-N 3.19Å; R502-L504 PolarHBondContact O-N 3.21Å; R502-L504 VanDerWaalsContact O-N 3.08Å
503A33.3Very low33.4Very low95 Ų95125 Ų12579%0.78578%0.784SS**  trans-59.8113.6176.700000110V501V501-A503 PolarHBondContact O-N 3.16Å; V501-A503 VanDerWaalsContact O-N 3.11Å
504L29.5Very low34.2Very low160 Ų160129.1 Ų129.184%0.83879%0.791SS**  trans-79.2125.1169.5-67.4176.2000108.4R502R502-L504 PolarHBondContact O-N 3.21Å; R502-L504 VanDerWaalsContact O-N 3.08Å
505A35.8Very low34.4Very low79 Ų79127.4 Ų127.465%0.65379%0.788SS**  trans-61.1153.8170.900000110.4V507A505-V507 PolarHBondContact O-N 3.42Å
506P33.2Very low34.3Very low135 Ų135127.9 Ų127.988%0.87779%0.787SS**  trans-63.8107.6-179.926.2-34.5000110.7N508P506-N508 PolarHBondContact O-N 3.37Å
507V33.1Very low34.5Very low126 Ų126136.2 Ų136.276%0.76480%0.799SS**  trans-71.4110.7170170.20000108.3A505 V509A505-V507 PolarHBondContact O-N 3.42Å; V507-V509 HydrophobicContact CG1-CG2 3.96Å; V507-V509 PolarHBondContact O-N 3.33Å
508N37.8Very low34.5Very low154 Ų154138.8 Ų138.882%0.82480%0.803SS**  trans-71.6121.5168.6-174.68.3000108.8P506P506-N508 PolarHBondContact O-N 3.37Å
509V35.5Very low34.7Very low104 Ų104139.2 Ų139.263%0.6380%0.803SS**  trans-109.1110.9178.3-176.80000108.7V507V507-V509 HydrophobicContact CG1-CG2 3.96Å; V507-V509 PolarHBondContact O-N 3.33Å
510A39.1Very low35.2Very low74 Ų74137.3 Ų137.361%0.61280%0.798SS**  trans-64.6153.3174.300000111.5G512A510-G512 PolarHBondContact O-N 3.11Å
511P33.5Very low35.8Very low138 Ų138136.7 Ų136.790%0.89680%0.797SS**THydrogen-bonded Turntrans-64.2125.6178.826.8-34.7000111.3
512G50.3Low36.2Very low74 Ų74136.4 Ų136.476%0.76380%0.795SS**THydrogen-bonded Turntrans153-10.7174.600000117.3A510 Q514A510-G512 PolarHBondContact O-N 3.11Å; G512-Q514 PolarHBondContact O-N 3.29Å
513A33.9Very low36.6Very low83 Ų83135.5 Ų135.569%0.68680%0.8SS**  trans-75.3115.3-177.800000113
514Q44.3Very low37.1Very low194 Ų194137 Ų13791%0.90780%0.8SS**  trans-79.4148.4168.7-58.2-174.62400110.7G512G512-Q514 PolarHBondContact O-N 3.29Å
515V35.6Very low37.3Very low138 Ų138142 Ų14284%0.83682%0.819SS**  trans-129.4128.8175.2-177.60000109.6
516M33.8Very low37.4Very low182 Ų182145.2 Ų145.290%0.89783%0.827SS**  trans-72.9147.4-171.4-64.8168.779.200112.9
517R34Very low37.6Very low239 Ų239145.7 Ų145.790%0.90283%0.825SS**  trans-85.6113.4175.9-177.5177.6-178.8171-1.8109.8
518L31.9Very low37.9Very low171 Ų171146.8 Ų146.890%0.89583%0.828SS**PPolyproline II helixtrans-76.1127.1173.2-83.8161.4000110.9
519T35.3Very low37.9Very low131 Ų131146.4 Ų146.480%0.80483%0.828SS**PPolyproline II helixtrans-91.5145.6176.9-38.10000110.3
520V39.3Very low38.1Very low127 Ų127149.1 Ų149.177%0.7784%0.841SS**PPolyproline II helixtrans-90.6133.6175.6179.20000109.2
521P44.4Very low38Very low117 Ų117154.1 Ų154.176%0.7686%0.856SS**PPolyproline II helixtrans-71.7136.9172.630-34.2000111
522T37.7Very low38.3Very low130 Ų130155.2 Ų155.280%0.79885%0.853SS**PPolyproline II helixtrans-70.9129.8172.2420000110.9
523Q36.6Very low37.4Very low195 Ų195161.5 Ų161.591%0.91186%0.86SS**PPolyproline II helixtrans-80.1116.8168.6-177.5168.545.300109.2
524T43.8Very low37.7Very low127 Ų127168 Ų16878%0.77988%0.875SS**PPolyproline II helixtrans-82.2133.817549.10000111.4
525Q35.4Very low37.1Very low265 Ų265165.6 Ų165.6100%1.23887%0.872SS**  -128.10124.1-173.6164.341.300107.2

Retrieved 525 of 525 residues in 55.4 ms (Link to these results)