A0A087X6E7_POEFO Loading...

Intraflagellar transport protein 46 homolog

AlphaFold DB , UniProt , Accession A0A087X6E7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 310 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
1M39.9Very low44.6Very low248 Ų248176.2 Ų176.2100%1.22287%0.873SS**  097.40-105.19516300107.3
2E37.5Very low45.4Very low194 Ų194175.2 Ų175.291%0.90787%0.872SS**  trans-131.3129.2167.9-135.9174135.400106.5T4E2-T4 PolarHBondContact O-N 3.2Å
3R36.8Very low46.5Very low249 Ų249175.2 Ų175.294%0.9488%0.876SS**PPolyproline II helixtrans-78.1121.4-162.5-68.9174.8169.3178.7-4109.2D5R3-D5 PolarHBondContact O-N 3.43Å
4T40.1Very low47.7Very low128 Ų128176.9 Ų176.979%0.78587%0.867SS**PPolyproline II helixtrans-71.3119.5171.643.10000109.6E2 R6E2-T4 PolarHBondContact O-N 3.2Å; T4-R6 PolarHBondContact O-N 3.48Å
5D40.8Very low48.5Very low166 Ų166174.1 Ų174.189%0.88886%0.857SS**PPolyproline II helixtrans-68.1121.1169.7-168.326.7000108.7R3R3-D5 PolarHBondContact O-N 3.43Å
6R44.6Very low50.1Low233 Ų233169.1 Ų169.188%0.87983%0.831SS**PPolyproline II helixtrans-93.4124.1-177.3-90.6175.8120.4-170.50.7108.5T4T4-R6 PolarHBondContact O-N 3.48Å
7G47.7Very low50.9Low66 Ų66164.5 Ų164.568%0.6882%0.817SS**  trans94.685.8148.400000115.5
8K48.5Very low51.3Low206 Ų206166 Ų16690%0.89681%0.813SS**  trans-132.494.9141.5-77.2-176.2179.6175.20106.9
9D48.4Very low52.3Low145 Ų145163.5 Ų163.578%0.77580%0.804SS**  trans-59.8142.9167.8-60.9-47.6000108.5Q11D9-Q11 PolarHBondContact O-N 3.34Å
10P48.5Very low53.1Low121 Ų121164.3 Ų164.379%0.78681%0.805SS**  trans-64.8106.8173.826.9-32000108L12P10-L12 PolarHBondContact O-N 3.08Å
11Q57.8Low53.9Low182 Ų182160.1 Ų160.185%0.8579%0.793SS**  trans-67.4105.7175.9-169.2166.6-6.600107.6D9 L13D9-Q11 PolarHBondContact O-N 3.34Å; Q11-L13 PolarHBondContact O-N 3.26Å
12L54.9Low54.9Low164 Ų164155.7 Ų155.786%0.85977%0.773SS**  trans-56.2108.8171.3-75.3162.3000107.9P10 R14P10-L12 PolarHBondContact O-N 3.08Å; L12-R14 VanDerWaalsContact C-N 3.34Å; L12-R14 PolarHBondContact O-N 3.11Å
13L59.8Low56.1Low176 Ų176154.2 Ų154.292%0.92177%0.772SS**  trans-67.197.6170.7-82.6151.9000107.2Q11 N15Q11-L13 PolarHBondContact O-N 3.26Å; L13-N15 PolarHBondContact O-N 2.83Å
14R62.7Low57.2Low199 Ų199146.9 Ų146.975%0.75175%0.754SS**  trans-73.8108.6172.8-178.7173.7172.2-173.6-3.2107L12 Q16L12-R14 VanDerWaalsContact C-N 3.34Å; L12-R14 PolarHBondContact O-N 3.11Å; R14-Q16 PolarHBondContact O-N 3.3Å
15N59.4Low58.3Low135 Ų135150.1 Ų150.172%0.72276%0.76SS**  trans-54.8113.4171.9-172.6-49.4000108L13L13-N15 PolarHBondContact O-N 2.83Å
16Q74.3Confident59.2Low94 Ų94148.1 Ų148.144%0.43975%0.75SS.*  trans-97127.5173.9-66-66.4-13.300106.4R14 Y18 D19R14-Q16 PolarHBondContact O-N 3.3Å; Q16-Y18 PolarHBondContact O-N 3.22Å; Q16-D19 HydrophobicContact CB-CB 4.5Å; Q16-D19 PolarHBondContact O-N 3.36Å
17P63.5Low59.9Low90 Ų90140.3 Ų140.358%0.58474%0.742SS**THydrogen-bonded Turntrans-56.2133.6172.1-1931.1000108.9
18Y58.8Low60.4Low192 Ų192145.9 Ų145.975%0.75375%0.75SS**THydrogen-bonded Turntrans71.923.6175.8-39.5-77.4000116.3Q16 E20 S21Q16-Y18 PolarHBondContact O-N 3.22Å; Y18-E20 PolarHBondContact O-N 3.32Å; Y18-E20 VanDerWaalsContact O-N 3.14Å; Y18-S21 PolarHBondContact O-N 3.44Å; Y18-S21 VanDerWaalsContact O-N 3.09Å; Y18-S21 PolarHBondContact O-OG 3.17Å
19D69.1Low60.8Low119 Ų119144.6 Ų144.664%0.63675%0.747SS**THydrogen-bonded Turntrans-65.3-11.1171.364.8-17.5000114Q16Q16-D19 HydrophobicContact CB-CB 4.5Å; Q16-D19 PolarHBondContact O-N 3.36Å
20E69.8Low61.2Low178 Ų178143.1 Ų143.183%0.83274%0.743SS**THydrogen-bonded Turntrans-99.8-2.1173.5-56.4-175.7177.200114.1Y18Y18-E20 PolarHBondContact O-N 3.32Å; Y18-E20 VanDerWaalsContact O-N 3.14Å
21S70.2Confident61.5Low78 Ų78142.5 Ų142.555%0.54574%0.739SS.*  trans-80.6127.4-179.766.40000111.5Y18Y18-S21 PolarHBondContact O-N 3.44Å; Y18-S21 VanDerWaalsContact O-N 3.09Å; Y18-S21 PolarHBondContact O-OG 3.17Å
22L60.4Low61Low155 Ų155139.2 Ų139.281%0.81274%0.736SS**  trans-108.3129.6170.6-66.2171000108.8V24L22-V24 PolarHBondContact O-N 2.99Å
23D61.3Low60.8Low163 Ų163137.7 Ų137.787%0.87273%0.734SS**  trans-69.1113.5171.1-72.3-48.6000108.9E25D23-E25 PolarHBondContact O-N 3.24Å
24V60.7Low59.8Low94 Ų94138 Ų13857%0.5772%0.724SS**  trans-90.6100.6178.4-1740000107.7L22 D26L22-V24 PolarHBondContact O-N 2.99Å; V24-D26 VanDerWaalsContact C-N 3.28Å; V24-D26 VanDerWaalsContact CG1-O 3.28Å; V24-D26 WeakPolarHBondContact CG1-O 3.26Å
25E62.5Low59.1Low196 Ų196133.2 Ų133.292%0.91672%0.721SS**SBendtrans-74.4-17.3178.2-69.1-172.7153.200112.9D23D23-E25 PolarHBondContact O-N 3.24Å
26D60.8Low58.3Low124 Ų124132 Ų13266%0.66372%0.72SS**  trans-146.7121179.2-138.2-22.3000111.8V24 E28V24-D26 VanDerWaalsContact C-N 3.28Å; V24-D26 VanDerWaalsContact CG1-O 3.28Å; V24-D26 WeakPolarHBondContact CG1-O 3.26Å; D26-E28 VanDerWaalsContact C-N 3.29Å; D26-E28 PolarHBondContact O-N 3.4Å
27G58.7Low56.8Low69 Ų69132.8 Ų132.871%0.71173%0.732SS**THydrogen-bonded Turntrans-79.1-1.2-167.700000115.8
28E59.5Low55.6Low184 Ų184134.4 Ų134.486%0.8674%0.742SS**THydrogen-bonded Turntrans-102.1-15.2-170-61.2-166.2152.500114.5D26D26-E28 VanDerWaalsContact C-N 3.29Å; D26-E28 PolarHBondContact O-N 3.4Å
29E56.2Low54.7Low179 Ų179137 Ų13784%0.83675%0.751SS**  trans-139.995.7177.5-72.1-168.8163.700113P31E29-P31 WeakPolarHBondContact O-CD 3.4Å
30V56.6Low53.2Low114 Ų114134.7 Ų134.769%0.69176%0.755SS**  trans-103.7108.6170.4-168.30000109.7S32V30-S32 PolarHBondContact O-N 3.07Å
31P53.7Low51.7Low108 Ų108135.5 Ų135.570%0.70176%0.759SS**  trans-72.9120.5174.627.2-30.8000110.3E29 V33E29-P31 WeakPolarHBondContact O-CD 3.4Å; P31-V33 PolarHBondContact O-N 3.26Å; P31-V33 VanDerWaalsContact O-N 3.11Å
32S47.7Very low49.9Very low112 Ų112143.3 Ų143.378%0.78378%0.776SS**  trans-64.2111.1175.362.60000110.6V30 Y34V30-S32 PolarHBondContact O-N 3.07Å; S32-Y34 VanDerWaalsContact C-N 3.31Å; S32-Y34 PolarHBondContact O-N 3.43Å
33V51.8Low48.9Very low133 Ų133145.3 Ų145.381%0.80678%0.781SS**  trans-78.685.8169.9-176.20000108.3P31 S35P31-V33 PolarHBondContact O-N 3.26Å; P31-V33 VanDerWaalsContact O-N 3.11Å; V33-S35 PolarHBondContact O-N 3.43Å
34Y38.8Very low47.5Very low181 Ų181143 Ų14371%0.7177%0.773SS**  trans-72.9111.6171.8-167-93000109.5S32 P36S32-Y34 VanDerWaalsContact C-N 3.31Å; S32-Y34 PolarHBondContact O-N 3.43Å; Y34-P36 WeakPolarHBondContact O-CD 3.34Å
35S47.8Very low46.2Very low99 Ų99147 Ų14769%0.69279%0.786SS**PPolyproline II helixtrans-79.7119169.1-70.80000109.3V33 T37V33-S35 PolarHBondContact O-N 3.43Å; S35-T37 PolarHBondContact O-N 2.86Å
36P41.2Very low44.5Very low110 Ų110149.6 Ų149.671%0.71479%0.787SS**PPolyproline II helixtrans-71.1126.3-179.2-9.124.1000110.4Y34Y34-P36 WeakPolarHBondContact O-CD 3.34Å
37T43.3Very low42.9Very low110 Ų110148 Ų14868%0.67579%0.786SS**PPolyproline II helixtrans-57.2138.4169.3-220000109.9S35 R39S35-T37 PolarHBondContact O-N 2.86Å; T37-R39 PolarHBondContact O-N 3.46Å
38P39.8Very low41.7Very low125 Ų125149.6 Ų149.681%0.81279%0.786SS**  trans-65.1109179.525.6-32000109.5G40P38-G40 PolarHBondContact O-N 3.46Å; P38-G40 VanDerWaalsContact O-N 3.08Å
39R37.9Very low40.4Very low246 Ų246151 Ų15193%0.92879%0.789SS**  trans-69.6101.2177.4-133.2175.3173.6173.3-1.1108.5T37 Q41T37-R39 PolarHBondContact O-N 3.46Å; R39-Q41 PolarHBondContact O-N 3.36Å
40G37.6Very low39.4Very low70 Ų70152.4 Ų152.472%0.72279%0.793SS**PPolyproline II helixtrans-56.6133.116800000110.6P38 R42P38-G40 PolarHBondContact O-N 3.46Å; P38-G40 VanDerWaalsContact O-N 3.08Å; G40-R42 PolarHBondContact O-N 3.29Å
41Q38.9Very low38.2Very low196 Ų196153.7 Ų153.792%0.91680%0.801SS**PPolyproline II helixtrans-57.2120.7-178-72175.4-61.900111.2R39 Q43R39-Q41 PolarHBondContact O-N 3.36Å; Q41-Q43 PolarHBondContact O-N 2.86Å
42R33Very low37.2Very low242 Ų242156.9 Ų156.991%0.91381%0.811SS**PPolyproline II helixtrans-60.2117.9158.2-91.2179.3167.6-172.6-4.3108.5G40G40-R42 PolarHBondContact O-N 3.29Å
43Q39Very low36.3Very low196 Ų196154.6 Ų154.692%0.91681%0.805SS**PPolyproline II helixtrans-91136.3151.1-89.6-171.3-39.900109.8Q41Q41-Q43 PolarHBondContact O-N 2.86Å
44T32.9Very low35.4Very low115 Ų115155.8 Ų155.871%0.70681%0.805SS**PPolyproline II helixtrans-86.5131.4-170.2-48.30000110.7
45E32.2Very low35Very low177 Ų177155.3 Ų155.383%0.82781%0.811SS**  trans53.2120.9146.2-62.6177.7160.100121.6
46W26.7Very low34.1Very low252 Ų252154.6 Ų154.696%0.95581%0.807SS**  -146.4138.8122.7-158-88.5000113.4
47S28.3Very low33.7Very low90 Ų90156 Ų15663%0.62981%0.813SS**  trans-48.5138.7-176.3-168.60000118.4
48S33.1Very low33.1Very low103 Ų103155.9 Ų155.972%0.7282%0.817SS**  trans9.3123.5142.2-62.60000119.3
49K31.7Very low32.7Very low213 Ų213155.7 Ų155.793%0.92682%0.819SS**  trans-166.7132.7133.4-102157.5-171.4-177.60111.5
50K35.5Very low32.1Very low208 Ų208149.9 Ų149.990%0.90482%0.816SS**  trans-57.9136.9170.7-60.6177.8176-176.70111.2
51V30.9Very low31.8Very low142 Ų142157.2 Ų157.286%0.86182%0.821SS**  trans-153.5126145.5175.10000109.5
52L33.9Very low31.3Very low175 Ų175153.4 Ų153.492%0.91682%0.816SS**  trans-74.8140.5161.6-85.3140000109.9
53G28.6Very low31.1Very low64 Ų64150.1 Ų150.166%0.6681%0.811SS**  trans-172.690.4166.100000110.5
54I33.1Very low30.6Very low157 Ų157148.3 Ų148.381%0.80581%0.807SS**  36.4116.595.661.4152.7000117.6
55M29.6Very low30.5Very low171 Ų171149.6 Ų149.684%0.84281%0.81SS**  trans70.1157148.2-61.8-174.799.700117.5
56S28.1Very low30.4Very low85 Ų85148 Ų14859%0.59480%0.802SS**  cis-177.4156.3-21.6-87.90000103.3S58S56-S58 PolarHBondContact O-N 3.21Å
57T34.1Very low30.4Very low139 Ų139143.7 Ų143.785%0.85379%0.793SS**  trans-37.9125.8163.254.40000113.7
58S29.7Very low30.4Very low108 Ų108146.6 Ų146.676%0.75580%0.796SS**  trans-157.2123.3138.954.10000110.7S56S56-S58 PolarHBondContact O-N 3.21Å
59S31Very low30.2Very low121 Ų121152.6 Ų152.685%0.84680%0.803SS**  trans-53.7141.3164.6-57.60000111
60S26.2Very low30.2Very low123 Ų123147.4 Ų147.486%0.8679%0.791SS**  trans-126.8105.1162.8-79.30000110.4
61R30.4Very low29.8Very low224 Ų224143.2 Ų143.285%0.84578%0.783SS**  trans-70.5127.2163.7172.6177.5171.9-178.6-2.4108.5
62S28.9Very low29.6Very low116 Ų116147.4 Ų147.481%0.81178%0.783SS**  trans-81.8129177.650.90000112.1
63Q28.9Very low29.2Very low173 Ų173143.4 Ų143.481%0.80878%0.775SS**  trans-151.5136.2160.1-137.1167-5.700110.3
64L29.6Very low29.3Very low159 Ų159148.7 Ų148.783%0.83279%0.786SS**  trans-101.2156.2-173.5-74.2165.5000112.3
65D31.1Very low29Very low141 Ų141149.6 Ų149.675%0.75479%0.787SS**  trans70.5143.3161.4-76.7-90.2000119.4
66E28.9Very low29.7Very low143 Ų143146.4 Ų146.467%0.66878%0.779SS**  cis178.8161.5-17177.649.2-116.800105H68E66-H68 IonicContact OE1-CD2 3.93Å
67E27.6Very low29.6Very low163 Ų163147.5 Ų147.576%0.76279%0.794SS**  trans100.188.2166.1-59.1-152.1112.300121.3
68H28Very low29.1Very low151 Ų151143.9 Ų143.970%0.69978%0.784SS**  78.7117.5114.1-87.3-111.1000123.6E66E66-H68 IonicContact OE1-CD2 3.93Å
69R29.1Very low29.1Very low229 Ų229147.6 Ų147.686%0.86479%0.794SS**  trans98.8149.7138.2-94.4-159.5-175.3174.85.9121.3
70P30.8Very low28.9Very low104 Ų104151.3 Ų151.368%0.67580%0.796SS**  -136.9-174.1-11632.9-8.1000116.6
71V27.2Very low29.3Very low120 Ų120151.4 Ų151.473%0.72779%0.793SS**  trans99.1129.5145.8-146.20000119.8
72R26.8Very low29Very low230 Ų230144.2 Ų144.287%0.86879%0.788SS**  trans106.192.2150-59.8-170.5176.9158.1-0.7113.9
73A25.2Very low29.5Very low91 Ų91145.2 Ų145.275%0.75279%0.792SS**  59.3109.873.400000113.4
74I30.2Very low29.3Very low174 Ų174140.2 Ų140.289%0.89279%0.787SS**  -166.1133.3127.4-86144.7000107.8
75E27.1Very low29.2Very low176 Ų176140.8 Ų140.882%0.82279%0.79SS**  trans-101.6-172.7-177-133.7-142.1146.900109.7
76P45.8Very low29Very low104 Ų104140.2 Ų140.268%0.67579%0.792SS**  -126.1179.7-118.537-15.7000113.6
77A25.2Very low29.1Very low108 Ų108142.4 Ų142.489%0.89380%0.802SS**  trans168.9141.6153.700000107.4
78G24.7Very low29.4Very low64 Ų64143.4 Ų143.466%0.6681%0.807SS**  cis164.6164.45.600000108.1
79L28.1Very low29.7Very low185 Ų185145.6 Ų145.697%0.96982%0.817SS**  trans90.1122.7157.6-62.3142.2000120.1
80K27.6Very low29.9Very low200 Ų200143.1 Ų143.187%0.8782%0.816SS**  trans-74.9-169.7172-55.5178.3172179.30110.8
81P34.3Very low30.2Very low125 Ų125147.4 Ų147.481%0.81283%0.827SS**  cis-138.6-178.32.531.8-6.3000116.1
82G25Very low30.6Very low72 Ų72150.2 Ų150.274%0.74283%0.832SS**  trans-67.8-157-17600000116.8
83P37.9Very low31.1Very low138 Ų138147.8 Ų147.890%0.89683%0.831SS**  cis-137.8171.53837.8-17.9000116
84G25.5Very low31.8Very low68 Ų68152 Ų15270%0.70184%0.835SS**  trans-111.1162.2168.900000112.4
85L28.1Very low32.2Very low171 Ų171152.1 Ų152.190%0.89583%0.831SS**  trans-158.4161162.4-77.8-175.6000109.8
86T26.3Very low33Very low129 Ų129152.4 Ų152.479%0.79183%0.833SS**  trans97.699.5174.970.30000114.7
87Q31.6Very low32.6Very low188 Ų188154.8 Ų154.888%0.87984%0.84SS**  64.6106.564.4-74.3-175.2-15.600113.7
88E32.3Very low33.7Very low185 Ų185154.3 Ų154.386%0.86483%0.83SS**  trans-156.8106151-60.8-169.6169.600104.9
89E34.5Very low34.6Very low196 Ų196157.8 Ų157.892%0.91683%0.833SS**  93.9124.377.9-80.5-176.1-170.200112.6
90E34.6Very low35.3Very low178 Ų178157.1 Ų157.183%0.83283%0.825SS**  trans-95.5138.5-173.7-64.1168.8159.300108.6
91E35.8Very low36Very low193 Ų193155.7 Ų155.790%0.90283%0.827SS**  trans-125.3108.9164.6-71.8-172.9167.800107.9
92E36.4Very low36.6Very low179 Ų179158.2 Ų158.284%0.83683%0.828SS**PPolyproline II helixtrans-95125168.3-65.1-174.1159.600107.5
93E37.5Very low37.4Very low180 Ų180159.7 Ų159.784%0.84183%0.827SS**PPolyproline II helixtrans-90.5118.1170.7-69.4-163.6164.400109.4
94E39.8Very low37.7Very low179 Ų179160.6 Ų160.684%0.83682%0.824SS**PPolyproline II helixtrans-79.9123.8172.4-62.5-178.3163.600109.4
95E39.4Very low38.7Very low177 Ų177166.1 Ų166.183%0.82783%0.832SS**  trans-98.6107.6168.4-69.1-78.2-177.600108.3D97E95-D97 PolarHBondContact O-N 3.03Å
96E42.5Very low39.5Very low182 Ų182165.6 Ų165.685%0.8583%0.83SS**  trans-71.6106.8169.2-74-178.8150.700109.4
97D38.4Very low40.3Very low153 Ų153166.3 Ų166.382%0.81883%0.829SS**  trans-9799.3165.9-137.8-6.9000108.6E95E95-D97 PolarHBondContact O-N 3.03Å
98S47.6Very low41.1Very low98 Ų98164.9 Ų164.969%0.68583%0.827SS**  trans-102.697.4177.1161.30000108
99D43.4Very low41.7Very low137 Ų137161.2 Ų161.273%0.73381%0.814SS**  trans-130.994.4167.8-81.2-30.3000110.6
100E43.4Very low42.4Very low172 Ų172159.8 Ų159.880%0.80481%0.812SS**  trans43.5103.5135.9-60.6-177.2166.800118.9E102E100-E102 PolarHBondContact O-N 3.46Å
101D42.6Very low43.1Very low170 Ų170158 Ų15891%0.90980%0.804SS**  trans-52.9111.9158.4-90.2-47.8000110.3S103D101-S103 PolarHBondContact O-N 2.69Å
102E45.3Very low43.5Very low178 Ų178154.1 Ų154.183%0.83280%0.795SS**  trans-67.5108.3162.1-70.5-88168.200107.5E100 D104E100-E102 PolarHBondContact O-N 3.46Å; E102-D104 PolarHBondContact O-N 3.42Å
103S42.9Very low43.9Very low102 Ų102152.1 Ų152.171%0.71380%0.795SS**  trans-66.799.5171.951.70000109.6D101 E105D101-S103 PolarHBondContact O-N 2.69Å; S103-E105 PolarHBondContact O-N 3.35Å; S103-E105 VanDerWaalsContact O-N 3.1Å
104D44.2Very low44.6Very low158 Ų158152.1 Ų152.185%0.84580%0.795SS**  trans-60.1111.4164.8-84-34.2000108.3E102 D106E102-D104 PolarHBondContact O-N 3.42Å; D104-D106 PolarHBondContact O-N 3.14Å
105E46.6Very low45.2Very low184 Ų184148.8 Ų148.886%0.8679%0.788SS**  trans-66.9112.6172.6-64.8-177.3159.700108S103 D107S103-E105 PolarHBondContact O-N 3.35Å; S103-E105 VanDerWaalsContact O-N 3.1Å; E105-D107 PolarHBondContact O-N 3.21Å
106D44.8Very low45.9Very low159 Ų159147.1 Ų147.185%0.8578%0.784SS**  trans-56.397168-78.8-42.5000109.4D104 D108D104-D106 PolarHBondContact O-N 3.14Å; D106-D108 PolarHBondContact O-N 3.41Å; D106-D108 VanDerWaalsContact O-N 3.14Å
107D42.2Very low46.4Very low145 Ų145147.2 Ų147.278%0.77579%0.79SS**  trans-74.891.5163.7-160.921.4000107.1E105 D109E105-D107 PolarHBondContact O-N 3.21Å; D107-D109 PolarHBondContact O-N 3.03Å
108D48.7Very low47.4Very low158 Ų158143.7 Ų143.785%0.84579%0.79SS**  trans-64.470.8165-93.9-31.1000108.8D106 D110D106-D108 PolarHBondContact O-N 3.41Å; D106-D108 VanDerWaalsContact O-N 3.14Å; D108-D110 PolarHBondContact O-N 3.4Å
109D44.2Very low48.5Very low108 Ų108143.9 Ų143.958%0.57879%0.787SS**  trans-82.891.1163.7-153.29.6000107.3D107 E111D107-D109 PolarHBondContact O-N 3.03Å; D109-E111 PolarHBondContact O-N 2.94Å
110D50.6Low49.8Very low165 Ų165140.8 Ų140.888%0.88277%0.765SS**  trans-66.360.6166.3-119-26.9000108.8D108D108-D110 PolarHBondContact O-N 3.4Å
111E48Very low51.5Low141 Ų141135.9 Ų135.966%0.65975%0.745SS**  trans-75.7135.8166.1-78.3-145.7143.900108.9D109 T113D109-E111 PolarHBondContact O-N 2.94Å; E111-T113 PolarHBondContact O-N 2.88Å
112P45.2Very low53Low111 Ų111131 Ų13172%0.72172%0.722SS**  trans-62.4109.8176.126.9-31.1000107.3E114P112-E114 PolarHBondContact O-N 2.81Å
113T45.5Very low54.4Low137 Ų137125.9 Ų125.984%0.8471%0.71SS**  trans-31.398.6168.837.70000110.1E111 T115E111-T113 PolarHBondContact O-N 2.88Å; T113-T115 PolarHBondContact O-N 3.01Å
114E51.6Low56Low180 Ų180126.8 Ų126.884%0.84171%0.707SS**  trans-57.7118.7167.6-77.4-158.4150.100104.1P112 L116P112-E114 PolarHBondContact O-N 2.81Å; E114-L116 PolarHBondContact O-N 3.2Å
115T52.6Low57.4Low110 Ų110124.5 Ų124.568%0.67569%0.688SS**  trans-51.9103.8179.844.30000107.6T113 D117T113-T115 PolarHBondContact O-N 3.01Å; T115-D117 PolarHBondContact O-N 2.9Å; T115-D117 VanDerWaalsContact O-N 3.1Å
116L53.3Low58.5Low142 Ų142118.5 Ų118.574%0.74367%0.666SS**  trans-49.3121.3177.9-83.5164000108.2E114 G118 V119E114-L116 PolarHBondContact O-N 3.2Å; L116-G118 PolarHBondContact O-N 2.9Å; L116-V119 HydrophobicContact CB-CG2 4.17Å; L116-V119 PolarHBondContact O-N 2.82Å; L116-V119 VanDerWaalsContact O-N 3.14Å
117D53.2Low59.9Low183 Ų183118 Ų11898%0.97966%0.663SS**THydrogen-bonded Turntrans-60.1106.9-173.5-142.9-1.4000108.9T115T115-D117 PolarHBondContact O-N 2.9Å; T115-D117 VanDerWaalsContact O-N 3.1Å
118G60.8Low61.6Low80 Ų80115.1 Ų115.183%0.82565%0.648SS**THydrogen-bonded Turntrans125-2.9-174.900000116.9L116L116-G118 PolarHBondContact O-N 2.9Å
119V69.5Low62.9Low101 Ų101113.9 Ų113.961%0.61265%0.648SS**  trans-76.9138.4170.8-177.90000110.4L116 D121L116-V119 HydrophobicContact CB-CG2 4.17Å; L116-V119 PolarHBondContact O-N 2.82Å; L116-V119 VanDerWaalsContact O-N 3.14Å; V119-D121 PolarHBondContact O-N 3.07Å
120Y71.7Confident64.5Low72 Ų72111.1 Ų111.128%0.28264%0.635SS.*  trans-69.3111.4-179.1176.5-101.7000111.5P122 Y125 F138 I141Y120-P122 HydrophobicContact CD1-CG 4.33Å; Y120-P122 HydrophobicContact CE1-CB 4.45Å; Y120-P122 HydrophobicContact CE1-CG 4.07Å; Y120-P122 WeakPolarHBondContact O-CD 3.35Å; Y120-Y125 HydrophobicContact CD2-CD2 4.17Å; Y120-Y125 AromaticContact CD2-CE2 3.78Å; Y120-Y125 HydrophobicContact CD2-CE2 3.78Å; Y120-Y125 AromaticContact CE2-CD2 3.47Å; Y120-Y125 HydrophobicContact CE2-CD2 3.47Å; Y120-Y125 VanDerWaalsContact CE2-CD2 3.47Å; Y120-Y125 AromaticContact CE2-CE2 3.52Å; Y120-Y125 HydrophobicContact CE2-CE2 3.52Å; Y120-Y125 HydrophobicContact CE2-CG 4.31Å; Y120-F138 VanDerWaalsContact OH-CD1 3.28Å; Y120-F138 WeakPolarHBondContact OH-CD1 3.09Å; Y120-I141 HydrophobicContact CD1-CG2 3.87Å; Y120-I141 HydrophobicContact CE1-CB 4.35Å; Y120-I141 HydrophobicContact CE1-CG2 4Å; Y120-I141 HydrophobicContact CG-CG2 4.34Å
121D78Confident66Low70 Ų70107.2 Ų107.237%0.37462%0.617SS.*  trans-95.4114.8174-95.8-31.5000112.5V119 A123 D124 Y125V119-D121 PolarHBondContact O-N 3.07Å; D121-A123 PolarHBondContact O-N 3.22Å; D121-A123 VanDerWaalsContact O-N 3.14Å; D121-D124 PolarHBondContact O-N 2.97Å; D121-Y125 VanDerWaalsContact O-CD2 3.3Å; D121-Y125 WeakPolarHBondContact O-CD2 3.39Å
122P74.3Confident67.4Low66 Ų66106.2 Ų106.243%0.42962%0.621SS.*THydrogen-bonded Turntrans-63.4-20.8-179.5-24.235.1000114.5Y120 T142Y120-P122 HydrophobicContact CD1-CG 4.33Å; Y120-P122 HydrophobicContact CE1-CB 4.45Å; Y120-P122 HydrophobicContact CE1-CG 4.07Å; Y120-P122 WeakPolarHBondContact O-CD 3.35Å; P122-T142 HydrophobicContact CB-CG2 4.3Å; P122-T142 HydrophobicContact CG-CG2 3.5Å; P122-T142 VanDerWaalsContact CG-CG2 3.5Å
123A74.3Confident69.2Low71 Ų71108.3 Ų108.359%0.58762%0.621SS**THydrogen-bonded Turntrans-71.2-35.4-178.100000112.5D121 Y125 S126D121-A123 PolarHBondContact O-N 3.22Å; D121-A123 VanDerWaalsContact O-N 3.14Å; A123-Y125 VanDerWaalsContact C-N 3.28Å; A123-Y125 PolarHBondContact O-N 2.91Å; A123-S126 WeakPolarHBondContact O-CB 3.5Å; A123-S126 PolarHBondContact O-N 3.38Å; A123-S126 PolarHBondContact O-OG 3.32Å
124D76.4Confident70.8Confident122 Ų122105.2 Ų105.265%0.65260%0.599SS**THydrogen-bonded Turntrans-69.3-27.4-175.5-70.8-12.2000112.9D121D121-D124 PolarHBondContact O-N 2.97Å
125Y73.3Confident72Confident110 Ų110103.9 Ų103.943%0.43159%0.586SS.*THydrogen-bonded Turntrans-98.53.1-177.7-56.2-79.3000113.8Y120 D121 A123 N127 L128Y120-Y125 HydrophobicContact CD2-CD2 4.17Å; Y120-Y125 AromaticContact CD2-CE2 3.78Å; Y120-Y125 HydrophobicContact CD2-CE2 3.78Å; Y120-Y125 AromaticContact CE2-CD2 3.47Å; Y120-Y125 HydrophobicContact CE2-CD2 3.47Å; Y120-Y125 VanDerWaalsContact CE2-CD2 3.47Å; Y120-Y125 AromaticContact CE2-CE2 3.52Å; Y120-Y125 HydrophobicContact CE2-CE2 3.52Å; Y120-Y125 HydrophobicContact CE2-CG 4.31Å; D121-Y125 VanDerWaalsContact O-CD2 3.3Å; D121-Y125 WeakPolarHBondContact O-CD2 3.39Å; A123-Y125 VanDerWaalsContact C-N 3.28Å; A123-Y125 PolarHBondContact O-N 2.91Å; Y125-N127 PolarHBondContact O-N 2.92Å; Y125-L128 PolarHBondContact O-N 2.79Å
126S70.5Confident73.4Confident58 Ų58103.8 Ų103.841%0.40658%0.578SS.*THydrogen-bonded Turntrans-65.2-33.7-175.461.40000114.3A123 R135A123-S126 WeakPolarHBondContact O-CB 3.5Å; A123-S126 PolarHBondContact O-N 3.38Å; A123-S126 PolarHBondContact O-OG 3.32Å; S126-R135 PolarHBondContact O-NH2 3.01Å
127N73.8Confident74.7Confident148 Ų148102.4 Ų102.479%0.79157%0.57SS**THydrogen-bonded Turntrans-98.910.6-175-65.5-66.5000113.8Y125Y125-N127 PolarHBondContact O-N 2.92Å
128L78Confident76Confident85 Ų8596.5 Ų96.545%0.44554%0.536SS..  trans-73134-178.3-156.472.1000110.4Y125 V130Y125-L128 PolarHBondContact O-N 2.79Å; L128-V130 VanDerWaalsContact C-N 3.25Å; L128-V130 HydrophobicContact CB-CG2 3.93Å; L128-V130 HydrophobicContact CD2-CG1 4.49Å; L128-V130 HydrophobicContact CD2-CG2 4.3Å; L128-V130 HydrophobicContact CG-CG2 4.32Å; L128-V130 VanDerWaalsContact O-CG2 3.27Å; L128-V130 WeakPolarHBondContact O-CG2 3.4Å; L128-V130 PolarHBondContact O-N 3.22Å
129P76.2Confident76.9Confident131 Ų13199.2 Ų99.285%0.85153%0.528SS*.  trans-76.474.917931.1-35.1000110.8
130V78Confident77.4Confident50 Ų50100.6 Ų100.630%0.30352%0.523SS..  trans-113.5155.3178.9-102.10000111.6L128 I134 F138L128-V130 VanDerWaalsContact C-N 3.25Å; L128-V130 HydrophobicContact CB-CG2 3.93Å; L128-V130 HydrophobicContact CD2-CG1 4.49Å; L128-V130 HydrophobicContact CD2-CG2 4.3Å; L128-V130 HydrophobicContact CG-CG2 4.32Å; L128-V130 VanDerWaalsContact O-CG2 3.27Å; L128-V130 WeakPolarHBondContact O-CG2 3.4Å; L128-V130 PolarHBondContact O-N 3.22Å; V130-I134 HydrophobicContact CB-CB 4.17Å; V130-I134 HydrophobicContact CB-CG2 4.12Å; V130-I134 HydrophobicContact CG1-CB 4.13Å; V130-I134 HydrophobicContact CG1-CD1 4.06Å; V130-I134 HydrophobicContact CG1-CG2 3.72Å; V130-F138 HydrophobicContact CG2-CE2 4.43Å
131T82.1Confident77.9Confident83 Ų83101.3 Ų101.351%0.50953%0.53SS..  trans-65.8157174.9570000111E133 I134 R135T131-E133 PolarHBondContact O-N 3.01Å; T131-I134 PolarHBondContact O-N 3.42Å; T131-I134 VanDerWaalsContact O-N 3.1Å; T131-I134 WeakPolarHBondContact OG1-CD1 3.42Å; T131-I134 WeakPolarHBondContact OG1-CG1 3.49Å; T131-R135 PolarHBondContact O-N 2.84Å; T131-R135 VanDerWaalsContact O-N 3.12Å
132T77.6Confident77.9Confident121 Ų121102.1 Ų102.174%0.74254%0.538SS*.Hα-helixtrans-58.9-33.5-177.4460000113.1R135 E136T132-R135 PolarHBondContact O-N 3.29Å; T132-E136 PolarHBondContact O-N 3.11Å; T132-E136 VanDerWaalsContact O-N 3.11Å
133E82.1Confident78.2Confident154 Ų154108.7 Ų108.772%0.7255%0.554SS**Hα-helixtrans-65.1-39.4177-62.5176.3176.800112.2T131 E136 L137T131-E133 PolarHBondContact O-N 3.01Å; E133-E136 PolarHBondContact O-N 3.09Å; E133-L137 PolarHBondContact O-N 3.09Å
134I79.9Confident78.6Confident73 Ų73113.5 Ų113.537%0.37456%0.558SS.*Hα-helixtrans-74.4-34.1179.5-61.4169000110.4V130 T131 E136 L137 F138V130-I134 HydrophobicContact CB-CB 4.17Å; V130-I134 HydrophobicContact CB-CG2 4.12Å; V130-I134 HydrophobicContact CG1-CB 4.13Å; V130-I134 HydrophobicContact CG1-CD1 4.06Å; V130-I134 HydrophobicContact CG1-CG2 3.72Å; T131-I134 PolarHBondContact O-N 3.42Å; T131-I134 VanDerWaalsContact O-N 3.1Å; T131-I134 WeakPolarHBondContact OG1-CD1 3.42Å; T131-I134 WeakPolarHBondContact OG1-CG1 3.49Å; I134-E136 VanDerWaalsContact C-N 3.3Å; I134-E136 PolarHBondContact O-N 3.42Å; I134-L137 WeakPolarHBondContact O-CB 3.41Å; I134-L137 PolarHBondContact O-N 2.74Å; I134-L137 VanDerWaalsContact O-N 3.15Å; I134-F138 HydrophobicContact CG2-CD2 4.41Å; I134-F138 HydrophobicContact CG2-CE2 3.82Å; I134-F138 HydrophobicContact CG2-CZ 4.38Å; I134-F138 VanDerWaalsContact O-CD2 3.29Å; I134-F138 WeakPolarHBondContact O-CD2 3.48Å; I134-F138 PolarHBondContact O-N 3.15Å
135R76.8Confident78.6Confident152 Ų152112.3 Ų112.357%0.57456%0.56SS**Hα-helixtrans-63.2-37.1173.2-173.7178.2-80.8-170.5-8.2112.1S126 T131 T132 L137 F138S126-R135 PolarHBondContact O-NH2 3.01Å; T131-R135 PolarHBondContact O-N 2.84Å; T131-R135 VanDerWaalsContact O-N 3.12Å; T132-R135 PolarHBondContact O-N 3.29Å; R135-L137 VanDerWaalsContact C-N 3.3Å; R135-F138 PolarHBondContact O-N 2.99Å
136E80.7Confident79Confident107 Ų107111 Ų11150%0.556%0.564SS.*Hα-helixtrans-67.2-32.8174-165.4177.9167.600111.7T132 E133 I134 F138 Q139 Y140T132-E136 PolarHBondContact O-N 3.11Å; T132-E136 VanDerWaalsContact O-N 3.11Å; E133-E136 PolarHBondContact O-N 3.09Å; I134-E136 VanDerWaalsContact C-N 3.3Å; I134-E136 PolarHBondContact O-N 3.42Å; E136-F138 PolarHBondContact O-N 3.18Å; E136-Q139 WeakPolarHBondContact O-CB 3.48Å; E136-Q139 PolarHBondContact O-N 2.93Å; E136-Y140 HydrophobicContact CG-CE2 4.28Å; E136-Y140 VanDerWaalsContact O-CD2 3.31Å; E136-Y140 WeakPolarHBondContact O-CD2 3.49Å
137L81.6Confident79.3Confident113 Ų113115.8 Ų115.859%0.59258%0.58SS**Hα-helixtrans-63.5-40.6176.4-16760.1000112.9E133 I134 R135 Q139 Y140E133-L137 PolarHBondContact O-N 3.09Å; I134-L137 WeakPolarHBondContact O-CB 3.41Å; I134-L137 PolarHBondContact O-N 2.74Å; I134-L137 VanDerWaalsContact O-N 3.15Å; R135-L137 VanDerWaalsContact C-N 3.3Å; L137-Q139 PolarHBondContact O-N 2.86Å; L137-Y140 HydrophobicContact CD1-CD2 4.29Å; L137-Y140 WeakPolarHBondContact O-CB 3.45Å; L137-Y140 PolarHBondContact O-N 3.11Å
138F80.6Confident79.4Confident59 Ų59116.4 Ų116.426%0.25958%0.584SS.*Hα-helixtrans-61.6-25.9175.8-70.8-58.4000113.2Y120 V130 I134 R135 E136 Y140 I141Y120-F138 VanDerWaalsContact OH-CD1 3.28Å; Y120-F138 WeakPolarHBondContact OH-CD1 3.09Å; V130-F138 HydrophobicContact CG2-CE2 4.43Å; I134-F138 HydrophobicContact CG2-CD2 4.41Å; I134-F138 HydrophobicContact CG2-CE2 3.82Å; I134-F138 HydrophobicContact CG2-CZ 4.38Å; I134-F138 VanDerWaalsContact O-CD2 3.29Å; I134-F138 WeakPolarHBondContact O-CD2 3.48Å; I134-F138 PolarHBondContact O-N 3.15Å; R135-F138 PolarHBondContact O-N 2.99Å; E136-F138 PolarHBondContact O-N 3.18Å; F138-Y140 VanDerWaalsContact C-N 3.28Å; F138-Y140 PolarHBondContact O-N 3.49Å; F138-I141 HydrophobicContact CD1-CD1 3.85Å; F138-I141 HydrophobicContact CE1-CD1 4.49Å; F138-I141 PolarHBondContact O-N 3.2Å
139Q78.9Confident79.5Confident138 Ų138119.4 Ų119.465%0.64560%0.595SS**Hα-helixtrans-70.8-23.3175-171.616467.100112.8E136 L137 T142 R143E136-Q139 WeakPolarHBondContact O-CB 3.48Å; E136-Q139 PolarHBondContact O-N 2.93Å; L137-Q139 PolarHBondContact O-N 2.86Å; Q139-T142 PolarHBondContact O-OG1 3.45Å; Q139-T142 VanDerWaalsContact O-OG1 3.11Å; Q139-R143 WeakPolarHBondContact O-CB 3.2Å; Q139-R143 PolarHBondContact O-N 2.71Å
140Y80Confident79.3Confident130 Ų130122.1 Ų122.151%0.5160%0.597SS.*Hα-helixtrans-76.7-24.4174.9-67.8-74.8000112.9E136 L137 F138 R143 Y144E136-Y140 HydrophobicContact CG-CE2 4.28Å; E136-Y140 VanDerWaalsContact O-CD2 3.31Å; E136-Y140 WeakPolarHBondContact O-CD2 3.49Å; L137-Y140 HydrophobicContact CD1-CD2 4.29Å; L137-Y140 WeakPolarHBondContact O-CB 3.45Å; L137-Y140 PolarHBondContact O-N 3.11Å; F138-Y140 VanDerWaalsContact C-N 3.28Å; F138-Y140 PolarHBondContact O-N 3.49Å; Y140-R143 PolarHBondContact O-N 3.47Å; Y140-Y144 WeakPolarHBondContact O-CB 3.48Å; Y140-Y144 PolarHBondContact O-N 3.46Å; Y140-Y144 VanDerWaalsContact O-N 3.08Å
141I82.3Confident79.4Confident86 Ų86126.4 Ų126.444%0.44162%0.617SS.*Hα-helixtrans-66.3-48.8176.3-56.6-179.6000110Y120 F138 R143 Y144Y120-I141 HydrophobicContact CD1-CG2 3.87Å; Y120-I141 HydrophobicContact CE1-CB 4.35Å; Y120-I141 HydrophobicContact CE1-CG2 4Å; Y120-I141 HydrophobicContact CG-CG2 4.34Å; F138-I141 HydrophobicContact CD1-CD1 3.85Å; F138-I141 HydrophobicContact CE1-CD1 4.49Å; F138-I141 PolarHBondContact O-N 3.2Å; I141-R143 PolarHBondContact O-N 2.85Å; I141-Y144 PolarHBondContact O-N 3.38Å
142T78.8Confident79Confident87 Ų87129.8 Ų129.853%0.53463%0.632SS.*Hα-helixtrans-65.9-22176.734.60000113.3P122 Q139P122-T142 HydrophobicContact CB-CG2 4.3Å; P122-T142 HydrophobicContact CG-CG2 3.5Å; P122-T142 VanDerWaalsContact CG-CG2 3.5Å; Q139-T142 PolarHBondContact O-OG1 3.45Å; Q139-T142 VanDerWaalsContact O-OG1 3.11Å
143R79.5Confident79Confident204 Ų204131.9 Ų131.977%0.7764%0.638SS**Hα-helixtrans-89.1-15.5178.2-165.8172.4179.5174.50.7113.3Q139 Y140 I141 S145Q139-R143 WeakPolarHBondContact O-CB 3.2Å; Q139-R143 PolarHBondContact O-N 2.71Å; Y140-R143 PolarHBondContact O-N 3.47Å; I141-R143 PolarHBondContact O-N 2.85Å; R143-S145 PolarHBondContact O-N 2.79Å
144Y83.7Confident78.6Confident173 Ų173130.3 Ų130.368%0.67864%0.643SS**  trans-86.6108.1-179.1-177.6-99.8000110.1Y140 I141 P146Y140-Y144 WeakPolarHBondContact O-CB 3.48Å; Y140-Y144 PolarHBondContact O-N 3.46Å; Y140-Y144 VanDerWaalsContact O-N 3.08Å; I141-Y144 PolarHBondContact O-N 3.38Å; Y144-P146 HydrophobicContact CE1-CB 4.38Å
145S76.4Confident78.2Confident97 Ų97135 Ų13568%0.67867%0.668SS**  trans-97.6124.4165.1-173.20000108.2R143R143-S145 PolarHBondContact O-N 2.79Å
146P82.1Confident78.2Confident81 Ų81136.9 Ų136.953%0.52668%0.68SS.*  trans-59.3144.3174.824.9-32000110Y144 N148Y144-P146 HydrophobicContact CE1-CB 4.38Å; P146-N148 PolarHBondContact O-N 3.19Å
147Q76.8Confident77.9Confident160 Ų160136.7 Ų136.775%0.74869%0.688SS**  trans-78.1112.4173.8-68.7-173.1-12.200108.6Q149Q147-Q149 PolarHBondContact O-N 2.95Å; Q147-Q149 VanDerWaalsContact O-N 3.1Å
148N76Confident77.7Confident161 Ų161139.9 Ų139.986%0.86170%0.697SS**  trans-70.5102.8167.3-71-39.7000107.9P146P146-N148 PolarHBondContact O-N 3.19Å
149Q79.2Confident77.6Confident148 Ų148143.6 Ų143.669%0.69272%0.719SS**  trans-88.5104.2168.5-72.9-179.311.200107.6Q147 L151Q147-Q149 PolarHBondContact O-N 2.95Å; Q147-Q149 VanDerWaalsContact O-N 3.1Å; Q149-L151 PolarHBondContact O-N 3.34Å
150E73Confident77.7Confident188 Ų188140 Ų14088%0.87971%0.707SS**  trans-72.1110.6168.7-165.8169.3-165.400107.5
151L79.4Confident77.7Confident139 Ų139141.1 Ų141.173%0.72872%0.722SS**  trans-79.6125.5177.4-64.3174.1000108.2Q149 L153Q149-L151 PolarHBondContact O-N 3.34Å; L151-L153 PolarHBondContact O-N 2.85Å; L151-L153 VanDerWaalsContact O-N 3.09Å
152D74.7Confident77.5Confident154 Ų154145.5 Ų145.582%0.82474%0.738SS**  trans-58.7116174.7-71.9-27.4000110.2C154D152-C154 PolarHBondContact O-N 3.27Å
153L76.1Confident77.4Confident166 Ų166148.5 Ų148.587%0.86975%0.749SS**  trans-74.994.4176.3-71.8145.9000109.2L151 L155L151-L153 PolarHBondContact O-N 2.85Å; L151-L153 VanDerWaalsContact O-N 3.09Å; L153-L155 PolarHBondContact O-N 3.26Å; L153-L155 VanDerWaalsContact O-N 3.11Å
154C73.4Confident77.2Confident121 Ų121144.1 Ų144.182%0.81875%0.747SS**  trans-73.5100.2170.2-71.50000109.8D152 K156D152-C154 PolarHBondContact O-N 3.27Å; C154-K156 PolarHBondContact O-N 3.44Å; C154-K156 VanDerWaalsContact O-N 3.17Å
155L72.6Confident76.8Confident171 Ų171140.4 Ų140.490%0.89575%0.752SS**  trans-63.1115.1170-66.3175000109.5L153L153-L155 PolarHBondContact O-N 3.26Å; L153-L155 VanDerWaalsContact O-N 3.11Å
156K75.9Confident76.5Confident191 Ų191142.6 Ų142.683%0.8376%0.761SS**  trans-102.3123.7170.2-173.9176.2178-1780108C154 F158C154-K156 PolarHBondContact O-N 3.44Å; C154-K156 VanDerWaalsContact O-N 3.17Å; K156-F158 PolarHBondContact O-N 3.12Å; K156-F158 VanDerWaalsContact O-N 3.16Å
157P74.5Confident75.8Confident104 Ų104141.2 Ų141.268%0.67576%0.762SS**  trans-59.5123.3174.721.8-29.7000109.3I159P157-I159 PolarHBondContact O-N 3.31Å
158F78.4Confident75.3Confident179 Ų179140.8 Ų140.879%0.78577%0.765SS**  trans-78.9106.3173.4177.9-103.9000108K156 P160K156-F158 PolarHBondContact O-N 3.12Å; K156-F158 VanDerWaalsContact O-N 3.16Å; F158-P160 HydrophobicContact CD1-CG 4.48Å; F158-P160 HydrophobicContact CE1-CB 3.75Å; F158-P160 HydrophobicContact CE1-CG 4.01Å; F158-P160 HydrophobicContact CZ-CB 3.98Å; F158-P160 WeakPolarHBondContact O-CD 3.42Å
159I78.3Confident75Confident138 Ų138139.1 Ų139.171%0.70876%0.755SS**  trans-104.8103.7170.6-56.2172.2000105.5P157 D161P157-I159 PolarHBondContact O-N 3.31Å; I159-D161 PolarHBondContact O-N 3.17Å
160P81Confident74.8Confident61 Ų61134.3 Ų134.340%0.39673%0.734SS.*  trans-63.7134.3176.923.3-29.6000109.9F158 F162F158-P160 HydrophobicContact CD1-CG 4.48Å; F158-P160 HydrophobicContact CE1-CB 3.75Å; F158-P160 HydrophobicContact CE1-CG 4.01Å; F158-P160 HydrophobicContact CZ-CB 3.98Å; F158-P160 WeakPolarHBondContact O-CD 3.42Å; P160-F162 PolarHBondContact O-N 3.11Å; P160-F162 VanDerWaalsContact O-N 3.14Å
161D79.8Confident74.8Confident155 Ų155129.1 Ų129.183%0.82972%0.723SS**SBendtrans-63.3-18.4177.8-70.2-28.3000112.8I159I159-D161 PolarHBondContact O-N 3.17Å
162F77.9Confident74.3Confident178 Ų178128.7 Ų128.778%0.78172%0.716SS**SBendtrans-133.3125.1-179.5-58.2-76.6000110.5P160P160-F162 PolarHBondContact O-N 3.11Å; P160-F162 VanDerWaalsContact O-N 3.14Å
163I76.8Confident74.3Confident150 Ų150128.2 Ų128.277%0.76971%0.712SS**  trans-87.7130.3169.9-58.8169.2000106.9A165I163-A165 PolarHBondContact O-N 3.23Å
164P74.9Confident74.3Confident112 Ų112124.7 Ų124.773%0.72769%0.69SS**  trans-61.2111.617425-31.8000108.8V166P164-V166 PolarHBondContact O-N 2.9Å; P164-V166 VanDerWaalsContact O-N 3.16Å
165A75.3Confident74.5Confident95 Ų95124.3 Ų124.379%0.78568%0.683SS**  trans-72108.3168.200000107.2I163 G167I163-A165 PolarHBondContact O-N 3.23Å; A165-G167 VanDerWaalsContact C-N 3.31Å; A165-G167 PolarHBondContact O-N 2.93Å
166V70.8Confident74.7Confident142 Ų142121.1 Ų121.186%0.86167%0.673SS**  trans-61.7101.9164.1-177.70000105.6P164P164-V166 PolarHBondContact O-N 2.9Å; P164-V166 VanDerWaalsContact O-N 3.16Å
167G67.8Low75Confident53 Ų53116.7 Ų116.755%0.54665%0.651SS.*  trans-65.5167.7179.200000111.7A165 I169A165-G167 VanDerWaalsContact C-N 3.31Å; A165-G167 PolarHBondContact O-N 2.93Å; G167-I169 PolarHBondContact O-N 3.13Å
168D66.1Low75.5Confident151 Ų151118.6 Ų118.681%0.80766%0.663SS**  trans-54.3131.5174.2-67-32.1000110.5D170D168-D170 PolarHBondContact O-N 3.38Å
169I69.4Low75.9Confident125 Ų125113.8 Ų113.864%0.64165%0.646SS**SBendtrans-60.4-29.9-171.6-58.7172.7000111.8G167 V195G167-I169 PolarHBondContact O-N 3.13Å; I169-V195 HydrophobicContact CD1-CG2 3.87Å; I169-V195 HydrophobicContact CG2-CG2 3.75Å
170D74.9Confident76Confident47 Ų47110.5 Ų110.525%0.25165%0.646SS.*  trans-144115.5167.8-171.3-5.6000110D168 F172 K174D168-D170 PolarHBondContact O-N 3.38Å; D170-F172 PolarHBondContact O-N 3.09Å; D170-F172 WeakPolarHBondContact OD1-CA 3.49Å; D170-F172 PolarHBondContact OD1-N 2.99Å; D170-K174 IonicContact OD2-NZ 2.83Å; D170-K174 PolarHBondContact OD2-NZ 3.24Å
171A72.5Confident76.2Confident79 Ų79113.7 Ų113.765%0.65365%0.654SS**  trans-80.415.7175.900000113.3L173A171-L173 PolarHBondContact O-N 3.04Å; A171-L173 VanDerWaalsContact O-N 3.14Å
172F68.4Low76.2Confident131 Ų131111 Ų11158%0.57565%0.645SS**SBendtrans56.822.5-171.5-62.9-80.9000113.4D170 K174 P193D170-F172 PolarHBondContact O-N 3.09Å; D170-F172 WeakPolarHBondContact OD1-CA 3.49Å; D170-F172 PolarHBondContact OD1-N 2.99Å; F172-K174 PolarHBondContact O-N 2.85Å; F172-K174 VanDerWaalsContact O-N 3.11Å; F172-P193 HydrophobicContact CZ-CB 4.23Å; F172-P193 HydrophobicContact CZ-CG 4.28Å
173L75Confident76.2Confident143 Ų143105.6 Ų105.675%0.74962%0.624SS**  trans-83.688178.2-162.592000109.3A171 V175A171-L173 PolarHBondContact O-N 3.04Å; A171-L173 VanDerWaalsContact O-N 3.14Å; L173-V175 PolarHBondContact O-N 2.78Å; L173-V175 VanDerWaalsContact O-N 3.15Å
174K76.2Confident76.3Confident92 Ų92101.6 Ų101.640%0.460%0.604SS.*  trans-78102.6179.1-58-53177.7-172.90111.1D170 F172 D191D170-K174 IonicContact OD2-NZ 2.83Å; D170-K174 PolarHBondContact OD2-NZ 3.24Å; F172-K174 PolarHBondContact O-N 2.85Å; F172-K174 VanDerWaalsContact O-N 3.11Å; K174-D191 WeakPolarHBondContact CE-OD2 3.33Å; K174-D191 IonicContact NZ-OD1 2.78Å; K174-D191 PolarHBondContact NZ-OD1 3.17Å; K174-D191 IonicContact NZ-OD2 2.77Å; K174-D191 PolarHBondContact NZ-OD2 3.19Å
175V77.6Confident76.4Confident113 Ų113100.8 Ų100.869%0.68559%0.593SS**PPolyproline II helixtrans-68.7122.7170.6-177.70000108L173L173-V175 PolarHBondContact O-N 2.78Å; L173-V175 VanDerWaalsContact O-N 3.15Å
176P77.6Confident76.3Confident105 Ų10598.7 Ų98.768%0.68258%0.581SS**PPolyproline II helixtrans-62.5145.3178.627-34000109.7
177R82.3Confident76.5Confident97 Ų9798.8 Ų98.837%0.36658%0.576SS.*PPolyproline II helixtrans-53.6134.5179.4-83.5-167.5-89.1-158-11.4111.4D179 G180 K181 P182R177-D179 WeakPolarHBondContact CB-OD1 3.06Å; R177-D179 PolarHBondContact O-N 3.28Å; R177-D179 VanDerWaalsContact O-N 3.11Å; R177-G180 PolarHBondContact O-N 2.76Å; R177-K181 PolarHBondContact NE-O 2.8Å; R177-P182 PolarHBondContact NH2-O 2.8Å
178P84.8Confident76.9Confident144 Ų144102.9 Ų102.994%0.93559%0.585SS**THydrogen-bonded Turntrans-65.8-15.6179.925.2-32.9000113.1
179D85.7Confident77.4Confident79 Ų79100 Ų10042%0.42257%0.572SS.*THydrogen-bonded Turntrans-87.9-0.9176.476.2-14.9000114R177 K181R177-D179 WeakPolarHBondContact CB-OD1 3.06Å; R177-D179 PolarHBondContact O-N 3.28Å; R177-D179 VanDerWaalsContact O-N 3.11Å; D179-K181 PolarHBondContact O-N 2.97Å; D179-K181 WeakPolarHBondContact OD1-CB 3.37Å; D179-K181 PolarHBondContact OD1-N 3.41Å; D179-K181 VanDerWaalsContact OD1-N 3.11Å; D179-K181 VanDerWaalsContact OD2-CD 3.29Å; D179-K181 WeakPolarHBondContact OD2-CD 3.49Å; D179-K181 WeakPolarHBondContact OD2-CE 3.5Å; D179-K181 WeakPolarHBondContact OD2-CG 3.3Å; D179-K181 IonicContact OD2-NZ 2.63Å; D179-K181 PolarHBondContact OD2-NZ 3.02Å
180G81.4Confident77.9Confident69 Ų69100.1 Ų100.171%0.71157%0.573SS**  trans708.7178.500000115.2R177R177-G180 PolarHBondContact O-N 2.76Å
181K84.8Confident78.1Confident128 Ų12899.8 Ų99.856%0.55757%0.572SS**PPolyproline II helixtrans-77.8145.4174.5-67.6-173.1-163.6118.30110.9R177 D179 D183R177-K181 PolarHBondContact NE-O 2.8Å; D179-K181 PolarHBondContact O-N 2.97Å; D179-K181 WeakPolarHBondContact OD1-CB 3.37Å; D179-K181 PolarHBondContact OD1-N 3.41Å; D179-K181 VanDerWaalsContact OD1-N 3.11Å; D179-K181 VanDerWaalsContact OD2-CD 3.29Å; D179-K181 WeakPolarHBondContact OD2-CD 3.49Å; D179-K181 WeakPolarHBondContact OD2-CE 3.5Å; D179-K181 WeakPolarHBondContact OD2-CG 3.3Å; D179-K181 IonicContact OD2-NZ 2.63Å; D179-K181 PolarHBondContact OD2-NZ 3.02Å; K181-D183 PolarHBondContact O-N 3.44Å; K181-D183 VanDerWaalsContact O-N 3.16Å
182P79.9Confident78.5Confident99 Ų9998.2 Ų98.264%0.64355%0.551SS**PPolyproline II helixtrans-63.3119.2-177.926.2-34.3000110R177 N184R177-P182 PolarHBondContact NH2-O 2.8Å; P182-N184 PolarHBondContact O-ND2 3.31Å
183D78.6Confident78.8Confident63 Ų6395.9 Ų95.934%0.33755%0.549SS..PPolyproline II helixtrans-74.1132.5172.7-161.7-4.4000110.1K181 L185K181-D183 PolarHBondContact O-N 3.44Å; K181-D183 VanDerWaalsContact O-N 3.16Å; D183-L185 WeakPolarHBondContact OD1-CG 3.4Å; D183-L185 PolarHBondContact OD1-N 3.29Å; D183-L185 VanDerWaalsContact OD1-N 3.16Å
184N79.1Confident78.8Confident67 Ų6791.8 Ų91.836%0.35853%0.532SS..  trans-116.414.8-179.2-51.9-67000112.1P182 L187 L188P182-N184 PolarHBondContact O-ND2 3.31Å; N184-L187 HydrophobicContact CB-CB 4.49Å; N184-L187 PolarHBondContact O-N 2.75Å; N184-L188 HydrophobicContact CB-CD1 3.57Å; N184-L188 PolarHBondContact O-N 3Å
185L75.4Confident78.8Confident94 Ų9493 Ų9349%0.49255%0.547SS..BIsolated β-bridgetrans-56.2136.5165.9-71.9170.3000109.6D183 L187D183-L185 WeakPolarHBondContact OD1-CG 3.4Å; D183-L185 PolarHBondContact OD1-N 3.29Å; D183-L185 VanDerWaalsContact OD1-N 3.16Å; L185-L187 PolarHBondContact O-N 3.47Å
186G73.2Confident79Confident51 Ų5196.2 Ų96.253%0.52655%0.552SS.*THydrogen-bonded Turntrans79.7-17.2-171.600000115.3V189G186-V189 VanDerWaalsContact CA-O 3.27Å; G186-V189 WeakPolarHBondContact CA-O 3.42Å; G186-V189 PolarHBondContact N-O 2.9Å
187L75.3Confident79.2Confident144 Ų14498.4 Ų98.475%0.75455%0.553SS**THydrogen-bonded Turntrans-100.2-46176-65.9176.1000112.7N184 L185N184-L187 HydrophobicContact CB-CB 4.49Å; N184-L187 PolarHBondContact O-N 2.75Å; L185-L187 PolarHBondContact O-N 3.47Å
188L76.5Confident79.2Confident140 Ų14096.1 Ų96.173%0.73355%0.552SS**THydrogen-bonded Turntrans-98.7-36.1177.7-88.686.1000112.7N184N184-L188 HydrophobicContact CB-CD1 3.57Å; N184-L188 PolarHBondContact O-N 3Å
189V76.9Confident79.1Confident91 Ų9192 Ų9255%0.55252%0.522SS*.BIsolated β-bridgetrans-128132.9-178.6179.20000107.4G186G186-V189 VanDerWaalsContact CA-O 3.27Å; G186-V189 WeakPolarHBondContact CA-O 3.42Å; G186-V189 PolarHBondContact N-O 2.9Å
190L79Confident79Confident126 Ų12693 Ų9366%0.6653%0.533SS*.  trans-69.2135.9-179.6-150.5132000109.5E192L190-E192 HydrophobicContact CD2-CG 3.86Å
191D79.3Confident79Confident41 Ų4190.5 Ų90.522%0.21950%0.504CS..  trans-98.297-175.418054.8000108.9K174K174-D191 WeakPolarHBondContact CE-OD2 3.33Å; K174-D191 IonicContact NZ-OD1 2.78Å; K174-D191 PolarHBondContact NZ-OD1 3.17Å; K174-D191 IonicContact NZ-OD2 2.77Å; K174-D191 PolarHBondContact NZ-OD2 3.19Å
192E82.4Confident78.9Confident46 Ų4685.4 Ų85.422%0.21548%0.483CS..  trans-91.7129.1-174.3-65.7-179.8178.100110.8L190 S194 S198L190-E192 HydrophobicContact CD2-CG 3.86Å; E192-S194 PolarHBondContact O-N 3.48Å; E192-S198 WeakPolarHBondContact OE1-CB 3.46Å; E192-S198 PolarHBondContact OE1-OG 2.8Å; E192-S198 WeakPolarHBondContact OE2-CB 3.49Å; E192-S198 PolarHBondContact OE2-N 3Å; E192-S198 PolarHBondContact OE2-OG 3.06Å
193P74.7Confident79Confident81 Ų8183.6 Ų83.653%0.52647%0.468SS..SBendtrans-79.656.6176.735.4-36.6000110.4F172F172-P193 HydrophobicContact CZ-CB 4.23Å; F172-P193 HydrophobicContact CZ-CG 4.28Å
194S73.9Confident79.1Confident58 Ų5882.5 Ų82.541%0.40647%0.465SS..SBendtrans-137.7137.3179.4176.90000110E192 K196E192-S194 PolarHBondContact O-N 3.48Å; S194-K196 WeakPolarHBondContact CB-O 3.38Å; S194-K196 PolarHBondContact O-N 3.5Å; S194-K196 PolarHBondContact OG-N 2.79Å; S194-K196 VanDerWaalsContact OG-N 3.13Å; S194-K196 PolarHBondContact OG-O 3.2Å
195V77.2Confident79.2Confident117 Ų11781.5 Ų81.571%0.70946%0.46SS*.SBendtrans-59.7-32.7170.8177.10000110.7I169I169-V195 HydrophobicContact CD1-CG2 3.87Å; I169-V195 HydrophobicContact CG2-CG2 3.75Å
196K80.9Confident79.5Confident180 Ų18081.5 Ų81.578%0.78346%0.456SS*.SBendtrans-104.2105.7176.1-64.1178-176172.80108.8S194S194-K196 WeakPolarHBondContact CB-O 3.38Å; S194-K196 PolarHBondContact O-N 3.5Å; S194-K196 PolarHBondContact OG-N 2.79Å; S194-K196 VanDerWaalsContact OG-N 3.13Å; S194-K196 PolarHBondContact OG-O 3.2Å
197Q81.3Confident79.9Confident152 Ų15283.2 Ų83.271%0.7145%0.452SS*.PPolyproline II helixtrans-71.8144.7177.1-64.9-173.9-36.900111.2
198S83.8Confident80.1Confident48 Ų4878.1 Ų78.134%0.33643%0.429SS..PPolyproline II helixtrans-69.3147.8175.579.60000112E192 P200E192-S198 WeakPolarHBondContact OE1-CB 3.46Å; E192-S198 PolarHBondContact OE1-OG 2.8Å; E192-S198 WeakPolarHBondContact OE2-CB 3.49Å; E192-S198 PolarHBondContact OE2-N 3Å; E192-S198 PolarHBondContact OE2-OG 3.06Å; S198-P200 WeakPolarHBondContact O-CD 3.43Å
199D83Confident80.2Confident57 Ų5774.5 Ų74.531%0.30541%0.408SS..PPolyproline II helixtrans-75.9120.4169.7178.4-14.9000108.5T201 V202 L203D199-T201 PolarHBondContact O-N 3.08Å; D199-T201 VanDerWaalsContact O-N 3.08Å; D199-T201 WeakPolarHBondContact OD1-CB 3.32Å; D199-T201 PolarHBondContact OD1-N 3.06Å; D199-T201 PolarHBondContact OD1-OG1 3.36Å; D199-V202 HydrophobicContact CB-CB 4.13Å; D199-V202 HydrophobicContact CB-CG2 3.91Å; D199-V202 PolarHBondContact O-N 3.39Å; D199-L203 PolarHBondContact O-N 2.73Å
200P81.8Confident80.2Confident101 Ų10176.5 Ų76.566%0.65641%0.411SS*.Hα-helixtrans-56.9-29.7-179.523.8-35.1000112.9S198 S204S198-P200 WeakPolarHBondContact O-CD 3.43Å; P200-S204 WeakPolarHBondContact O-CB 3.49Å; P200-S204 PolarHBondContact O-N 3.39Å
201T82.4Confident80.2Confident17 Ų1774.2 Ų74.210%0.10440%0.403CS..Hα-helixtrans-68.3-48.8177.4-45.10000110.9D199 S204 L205 A223D199-T201 PolarHBondContact O-N 3.08Å; D199-T201 VanDerWaalsContact O-N 3.08Å; D199-T201 WeakPolarHBondContact OD1-CB 3.32Å; D199-T201 PolarHBondContact OD1-N 3.06Å; D199-T201 PolarHBondContact OD1-OG1 3.36Å; T201-S204 PolarHBondContact O-N 2.89Å; T201-S204 PolarHBondContact O-OG 3.3Å; T201-L205 WeakPolarHBondContact O-CG 3.48Å; T201-L205 PolarHBondContact O-N 3.04Å; T201-A223 WeakPolarHBondContact OG1-CB 3.49Å
202V82.6Confident79.9Confident21 Ų2179.9 Ų79.913%0.12743%0.425CS..Hα-helixtrans-66-43.7179.3176.70000109.9D199 S204 L205 F206 I242D199-V202 HydrophobicContact CB-CB 4.13Å; D199-V202 HydrophobicContact CB-CG2 3.91Å; D199-V202 PolarHBondContact O-N 3.39Å; V202-S204 VanDerWaalsContact C-N 3.31Å; V202-S204 PolarHBondContact O-N 2.98Å; V202-L205 WeakPolarHBondContact O-CA 3.25Å; V202-L205 VanDerWaalsContact O-CB 3.3Å; V202-L205 WeakPolarHBondContact O-CB 3.43Å; V202-L205 PolarHBondContact O-N 3.03Å; V202-F206 PolarHBondContact O-N 2.87Å; V202-I242 HydrophobicContact CG2-CD1 4.39Å
203L82.1Confident79Confident61 Ų6183.3 Ų83.332%0.31944%0.442SS..Hα-helixtrans-60.1-42.4176.6-177.564.1000111.3D199 L205 F206 L207D199-L203 PolarHBondContact O-N 2.73Å; L203-L205 VanDerWaalsContact C-N 3.29Å; L203-L205 PolarHBondContact O-N 3.14Å; L203-F206 PolarHBondContact O-N 3.27Å; L203-L207 HydrophobicContact CD1-CD1 4.38Å; L203-L207 HydrophobicContact CD1-CG 4.37Å; L203-L207 HydrophobicContact CG-CD1 4.02Å; L203-L207 HydrophobicContact CG-CG 4.45Å; L203-L207 WeakPolarHBondContact O-CB 3.33Å; L203-L207 WeakPolarHBondContact O-CG 3.48Å; L203-L207 PolarHBondContact O-N 3.36Å
204S81.1Confident78.2Confident39 Ų3987.5 Ų87.527%0.27345%0.454SS..Hα-helixtrans-62-37.9174.682.10000112.1P200 T201 V202 S208 K220P200-S204 WeakPolarHBondContact O-CB 3.49Å; P200-S204 PolarHBondContact O-N 3.39Å; T201-S204 PolarHBondContact O-N 2.89Å; T201-S204 PolarHBondContact O-OG 3.3Å; V202-S204 VanDerWaalsContact C-N 3.31Å; V202-S204 PolarHBondContact O-N 2.98Å; S204-S208 PolarHBondContact O-N 3.47Å; S204-S208 VanDerWaalsContact O-N 3.08Å; S204-K220 WeakPolarHBondContact O-CE 3.39Å; S204-K220 PolarHBondContact O-NZ 3.38Å; S204-K220 WeakPolarHBondContact OG-CE 3.37Å
205L81.3Confident77Confident47 Ų4787.8 Ų87.825%0.24647%0.465CS..Hα-helixtrans-59-53.3173-74.2168.4000111.3T201 V202 L203 S208 E209 K220 I242 L245T201-L205 WeakPolarHBondContact O-CG 3.48Å; T201-L205 PolarHBondContact O-N 3.04Å; V202-L205 WeakPolarHBondContact O-CA 3.25Å; V202-L205 VanDerWaalsContact O-CB 3.3Å; V202-L205 WeakPolarHBondContact O-CB 3.43Å; V202-L205 PolarHBondContact O-N 3.03Å; L203-L205 VanDerWaalsContact C-N 3.29Å; L203-L205 PolarHBondContact O-N 3.14Å; L205-S208 PolarHBondContact O-N 2.62Å; L205-S208 PolarHBondContact O-OG 2.97Å; L205-E209 PolarHBondContact O-N 3.02Å; L205-E209 VanDerWaalsContact O-N 3.14Å; L205-K220 HydrophobicContact CD2-CD 3.61Å; L205-K220 HydrophobicContact CG-CD 4.11Å; L205-I242 HydrophobicContact CD1-CD1 3.93Å; L205-L245 HydrophobicContact CB-CD2 3.98Å
206F81.4Confident75.7Confident93 Ų9387.3 Ų87.341%0.40846%0.463SS..Hα-helixtrans-55.7-54176.8-170-92.1000112V202 L203 S208 E209 E210 L245V202-F206 PolarHBondContact O-N 2.87Å; L203-F206 PolarHBondContact O-N 3.27Å; F206-S208 VanDerWaalsContact C-N 3.32Å; F206-S208 PolarHBondContact O-N 2.96Å; F206-E209 WeakPolarHBondContact O-CB 3.47Å; F206-E209 PolarHBondContact O-N 2.7Å; F206-E210 PolarHBondContact O-N 2.86Å; F206-L245 HydrophobicContact CB-CD1 4.25Å; F206-L245 HydrophobicContact CD2-CD1 3.83Å; F206-L245 HydrophobicContact CG-CD1 4.49Å
207L81.6Confident74.1Confident87 Ų8785.2 Ų85.246%0.45547%0.466SS..Hα-helixtrans-58.6-41-178.6-75.1170.2000112.8L203 E209 T211L203-L207 HydrophobicContact CD1-CD1 4.38Å; L203-L207 HydrophobicContact CD1-CG 4.37Å; L203-L207 HydrophobicContact CG-CD1 4.02Å; L203-L207 HydrophobicContact CG-CG 4.45Å; L203-L207 WeakPolarHBondContact O-CB 3.33Å; L203-L207 WeakPolarHBondContact O-CG 3.48Å; L203-L207 PolarHBondContact O-N 3.36Å; L207-E209 VanDerWaalsContact C-N 3.3Å; L207-E209 PolarHBondContact O-N 2.59Å; L207-T211 WeakPolarHBondContact O-CB 3.14Å; L207-T211 PolarHBondContact O-N 3.42Å; L207-T211 PolarHBondContact O-OG1 3.31Å
208S80.1Confident72.8Confident37 Ų3786.3 Ų86.326%0.25947%0.471SS..Hα-helixtrans-68.4-32178.2750000113.4S204 L205 F206 K212 Q213 K220S204-S208 PolarHBondContact O-N 3.47Å; S204-S208 VanDerWaalsContact O-N 3.08Å; L205-S208 PolarHBondContact O-N 2.62Å; L205-S208 PolarHBondContact O-OG 2.97Å; F206-S208 VanDerWaalsContact C-N 3.32Å; F206-S208 PolarHBondContact O-N 2.96Å; S208-K212 PolarHBondContact O-N 3.19Å; S208-Q213 PolarHBondContact O-N 2.91Å; S208-K220 PolarHBondContact OG-NZ 3.31Å
209E77.2Confident71.2Confident64 Ų6492 Ų9230%0.29950%0.496SS..Hα-helixtrans-69.8-49.9178.2-170.8-161.9-178.100108.7L205 F206 L207 T211 K212 L245L205-E209 PolarHBondContact O-N 3.02Å; L205-E209 VanDerWaalsContact O-N 3.14Å; F206-E209 WeakPolarHBondContact O-CB 3.47Å; F206-E209 PolarHBondContact O-N 2.7Å; L207-E209 VanDerWaalsContact C-N 3.3Å; L207-E209 PolarHBondContact O-N 2.59Å; E209-T211 PolarHBondContact O-N 3.36Å; E209-K212 PolarHBondContact O-N 3.08Å; E209-L245 WeakPolarHBondContact OE2-CD1 3.38Å
210E77.7Confident70Confident133 Ų13392.8 Ų92.862%0.62150%0.497SS*.Hα-helixtrans-60.1-44.4-179.7-171.7175.6-164.900111.8F206 K212F206-E210 PolarHBondContact O-N 2.86Å; E210-K212 PolarHBondContact O-N 3.02Å
211T79.1Confident68.8Low78 Ų7897 Ų9748%0.47951%0.505SS..THydrogen-bonded Turntrans-76.1-6.5177.345.50000114L207 E209 Q213L207-T211 WeakPolarHBondContact O-CB 3.14Å; L207-T211 PolarHBondContact O-N 3.42Å; L207-T211 PolarHBondContact O-OG1 3.31Å; E209-T211 PolarHBondContact O-N 3.36Å; T211-Q213 PolarHBondContact O-N 3.26Å
212K71.6Confident67.9Low160 Ų160100.5 Ų100.570%0.69653%0.526SS*.THydrogen-bonded Turntrans50.927-175.9-60.6-179.7-177.9179.70112.6S208 E209 E210 H214S208-K212 PolarHBondContact O-N 3.19Å; E209-K212 PolarHBondContact O-N 3.08Å; E210-K212 PolarHBondContact O-N 3.02Å; K212-H214 VanDerWaalsContact C-CE1 3.49Å; K212-H214 PolarHBondContact O-CE1 3.1Å; K212-H214 PolarHBondContact O-N 2.9Å; K212-H214 PolarHBondContact O-ND1 3.24Å
213Q64Low67.1Low119 Ų119101.9 Ų101.956%0.55654%0.54SS*.  trans-93.175179.7-72.1-175.513.300109.2S208 T211 G215S208-Q213 PolarHBondContact O-N 2.91Å; T211-Q213 PolarHBondContact O-N 3.26Å; Q213-G215 PolarHBondContact O-N 3.14Å
214H58Low66.4Low169 Ų169104.1 Ų104.178%0.78256%0.56SS**THydrogen-bonded Turntrans-73.20.5177.2-35.480000113.3K212K212-H214 VanDerWaalsContact C-CE1 3.49Å; K212-H214 PolarHBondContact O-CE1 3.1Å; K212-H214 PolarHBondContact O-N 2.9Å; K212-H214 PolarHBondContact O-ND1 3.24Å
215G49.9Very low65.9Low63 Ų63104.8 Ų104.865%0.64956%0.563SS**THydrogen-bonded Turntrans-110.6-12.2-161.700000116.7Q213 T217Q213-G215 PolarHBondContact O-N 3.14Å; G215-T217 PolarHBondContact O-N 3.06Å
216T49.2Very low65.4Low107 Ų107106.6 Ų106.666%0.65659%0.585SS**  trans-89.794.7174.239.70000109.1E218T216-E218 PolarHBondContact O-N 3.17Å
217T46.8Very low64.6Low137 Ų137103.9 Ų103.984%0.8458%0.583SS**  trans-6356.4170.142.60000112.5G215G215-T217 PolarHBondContact O-N 3.06Å
218E54.7Low63.9Low174 Ų174103.6 Ų103.681%0.81359%0.586SS**  trans-87.5105.4147.8-68.4-143.5161.300105.6T216 K220T216-E218 PolarHBondContact O-N 3.17Å; E218-K220 PolarHBondContact O-N 3.2Å
219L50.3Low63.5Low168 Ų168113.6 Ų113.688%0.8862%0.618SS**  trans-46.2102.8177-66.7157.2000108.1K221L219-K221 VanDerWaalsContact C-N 3.27Å; L219-K221 PolarHBondContact O-N 3.13Å
220K56.3Low63.5Low73 Ų73115.9 Ų115.932%0.31764%0.637SS.*  trans-57.5101.1170-82.9179.3176.5173.90107S204 L205 S208 E218 V222S204-K220 WeakPolarHBondContact O-CE 3.39Å; S204-K220 PolarHBondContact O-NZ 3.38Å; S204-K220 WeakPolarHBondContact OG-CE 3.37Å; L205-K220 HydrophobicContact CD2-CD 3.61Å; L205-K220 HydrophobicContact CG-CD 4.11Å; S208-K220 PolarHBondContact OG-NZ 3.31Å; E218-K220 PolarHBondContact O-N 3.2Å; K220-V222 PolarHBondContact O-N 2.83Å
221K58.1Low63.5Low190 Ų190113.8 Ų113.883%0.82663%0.63SS**  trans-70.793.2176.8-164.3178.8-176.5-174.60104.7L219 A223L219-K221 VanDerWaalsContact C-N 3.27Å; L219-K221 PolarHBondContact O-N 3.13Å; K221-A223 PolarHBondContact O-N 2.71Å
222V62.8Low63.7Low91 Ų91113.6 Ų113.655%0.55263%0.63SS**  trans-56113.9174-179.60000106K220 S224K220-V222 PolarHBondContact O-N 2.83Å; V222-S224 PolarHBondContact O-N 3.32Å; V222-S224 VanDerWaalsContact O-N 3.09Å
223A65.4Low64.3Low50 Ų50116.2 Ų116.241%0.41364%0.636SS.*  trans-59.6116.9176.700000108.1T201 K221T201-A223 WeakPolarHBondContact OG1-CB 3.49Å; K221-A223 PolarHBondContact O-N 2.71Å
224S68.1Low65Low107 Ų107112.8 Ų112.875%0.74863%0.628SS**  trans-78.6128.3173.958.80000108.8V222 A226V222-S224 PolarHBondContact O-N 3.32Å; V222-S224 VanDerWaalsContact O-N 3.09Å; S224-A226 PolarHBondContact O-N 2.59Å; S224-A226 VanDerWaalsContact O-N 3.13Å
225V69.9Low66.2Low53 Ų53106.8 Ų106.832%0.32160%0.602SS.*  trans-68110.9171.2-176.70000108.7G227 A234 V235V225-G227 PolarHBondContact O-N 2.79Å; V225-A234 HydrophobicContact CG1-CB 4.35Å; V225-V235 HydrophobicContact CB-CG2 4.46Å; V225-V235 HydrophobicContact CG1-CG2 4.01Å; V225-V235 HydrophobicContact CG2-CG2 4.47Å
226A70.3Confident68Low86 Ų86108 Ų10871%0.71159%0.594SS**SBendtrans-73119.9176.100000109.7S224S224-A226 PolarHBondContact O-N 2.59Å; S224-A226 VanDerWaalsContact O-N 3.13Å
227G66Low69.6Low36 Ų36106.3 Ų106.337%0.37159%0.587SS.*  trans67.768.9178.800000114.6V225 R229 T230 N231V225-G227 PolarHBondContact O-N 2.79Å; G227-R229 PolarHBondContact O-N 2.79Å; G227-R229 VanDerWaalsContact O-N 3.09Å; G227-T230 WeakPolarHBondContact O-CB 3.37Å; G227-T230 PolarHBondContact O-N 2.86Å; G227-N231 PolarHBondContact O-N 2.8Å
228P67.3Low71.4Confident80 Ų80104.1 Ų104.152%0.51956%0.563SS.*THydrogen-bonded Turntrans-57.7-27.4-179.9-22.632.4000114.1T230 V235P228-T230 VanDerWaalsContact C-N 3.3Å; P228-V235 HydrophobicContact CB-CG2 4.25Å
229R70.9Confident73Confident247 Ų24799 Ų9993%0.93254%0.544SS*.THydrogen-bonded Turntrans-73.9-22.3176.8-65.1-176.969.5-167.51.4113.3G227G227-R229 PolarHBondContact O-N 2.79Å; G227-R229 VanDerWaalsContact O-N 3.09Å
230T77.9Confident74.7Confident112 Ų11295.9 Ų95.969%0.68753%0.528SS*.THydrogen-bonded Turntrans-90.9-35.6-178.1-46.70000110.7G227 P228 P232G227-T230 WeakPolarHBondContact O-CB 3.37Å; G227-T230 PolarHBondContact O-N 2.86Å; P228-T230 VanDerWaalsContact C-N 3.3Å; T230-P232 WeakPolarHBondContact O-CD 3.49Å
231N76.5Confident76.1Confident90 Ų9094.5 Ų94.548%0.48153%0.527SS..  trans-126.473.8-176.5-69.1-16.2000112.1G227 R233 A234G227-N231 PolarHBondContact O-N 2.8Å; N231-R233 VanDerWaalsContact C-N 3.33Å; N231-R233 PolarHBondContact O-N 3.27Å; N231-A234 HydrophobicContact CB-CB 4.24Å; N231-A234 PolarHBondContact O-N 2.9Å
232P83.9Confident77.3Confident73 Ų7386.6 Ų86.647%0.47449%0.494SS..Hα-helixtrans-62.9-37.7177.825.2-33.3000112.4T230 A234 V235 D236T230-P232 WeakPolarHBondContact O-CD 3.49Å; P232-A234 VanDerWaalsContact C-N 3.26Å; P232-A234 PolarHBondContact O-N 2.98Å; P232-V235 WeakPolarHBondContact O-CA 3.33Å; P232-V235 VanDerWaalsContact O-CB 3.32Å; P232-V235 WeakPolarHBondContact O-CB 3.21Å; P232-V235 PolarHBondContact O-N 3.05Å; P232-D236 PolarHBondContact O-N 2.83Å
233R83Confident78.3Confident216 Ų21683.8 Ų83.882%0.81548%0.478SS*.Hα-helixtrans-58.5-33.5179.7-65.2-175.8-179.9-176.2-1.1114.1N231 V235 S237N231-R233 VanDerWaalsContact C-N 3.33Å; N231-R233 PolarHBondContact O-N 3.27Å; R233-V235 VanDerWaalsContact C-N 3.32Å; R233-S237 WeakPolarHBondContact O-CB 3.08Å; R233-S237 PolarHBondContact O-N 3.46Å
234A80.2Confident79.1Confident47 Ų4783.9 Ų83.939%0.38848%0.479SS..Hα-helixtrans-71.1-32.2177.200000111.6V225 N231 P232 W238V225-A234 HydrophobicContact CG1-CB 4.35Å; N231-A234 HydrophobicContact CB-CB 4.24Å; N231-A234 PolarHBondContact O-N 2.9Å; P232-A234 VanDerWaalsContact C-N 3.26Å; P232-A234 PolarHBondContact O-N 2.98Å; A234-W238 WeakPolarHBondContact O-CB 3.41Å; A234-W238 PolarHBondContact O-N 2.63Å
235V83.1Confident79.7Confident42 Ų4279.8 Ų79.826%0.25545%0.448SS..Hα-helixtrans-69.8-47.4173.7-178.20000109.7V225 P228 P232 R233 S237 W238 V239V225-V235 HydrophobicContact CB-CG2 4.46Å; V225-V235 HydrophobicContact CG1-CG2 4.01Å; V225-V235 HydrophobicContact CG2-CG2 4.47Å; P228-V235 HydrophobicContact CB-CG2 4.25Å; P232-V235 WeakPolarHBondContact O-CA 3.33Å; P232-V235 VanDerWaalsContact O-CB 3.32Å; P232-V235 WeakPolarHBondContact O-CB 3.21Å; P232-V235 PolarHBondContact O-N 3.05Å; R233-V235 VanDerWaalsContact C-N 3.32Å; V235-S237 PolarHBondContact O-N 2.73Å; V235-W238 PolarHBondContact O-N 3.33Å; V235-V239 HydrophobicContact CG1-CG2 4.32Å; V235-V239 WeakPolarHBondContact O-CG2 3.49Å; V235-V239 PolarHBondContact O-N 3.38Å
236D86.4Confident80Confident89 Ų8983 Ų8348%0.47646%0.46SS..Hα-helixtrans-60.2-48.1-179.9-60.2-32.8000111.4P232 W238 V239 D240P232-D236 PolarHBondContact O-N 2.83Å; D236-W238 VanDerWaalsContact C-N 3.3Å; D236-W238 PolarHBondContact O-N 2.77Å; D236-V239 WeakPolarHBondContact O-CB 3.41Å; D236-V239 PolarHBondContact O-N 3.16Å; D236-V239 VanDerWaalsContact O-N 3.11Å; D236-D240 PolarHBondContact O-N 2.79Å
237S84.4Confident80.3Confident72 Ų7288 Ų8850%0.50346%0.46SS..Hα-helixtrans-58.3-39.8175.5178.80000113.1R233 V235 S241R233-S237 WeakPolarHBondContact O-CB 3.08Å; R233-S237 PolarHBondContact O-N 3.46Å; V235-S237 PolarHBondContact O-N 2.73Å; S237-S241 WeakPolarHBondContact O-CB 3.3Å; S237-S241 PolarHBondContact O-N 2.63Å; S237-S241 PolarHBondContact O-OG 3.11Å
238W84.8Confident80.4Confident90 Ų9089.4 Ų89.434%0.34146%0.464SS..Hα-helixtrans-67.6-42.9175.1177.585.5000111.9A234 V235 D236 D240 S241 I242A234-W238 WeakPolarHBondContact O-CB 3.41Å; A234-W238 PolarHBondContact O-N 2.63Å; V235-W238 PolarHBondContact O-N 3.33Å; D236-W238 VanDerWaalsContact C-N 3.3Å; D236-W238 PolarHBondContact O-N 2.77Å; W238-D240 VanDerWaalsContact C-N 3.33Å; W238-D240 PolarHBondContact O-N 3.16Å; W238-S241 PolarHBondContact O-N 3.22Å; W238-I242 HydrophobicContact CD2-CG1 4.01Å; W238-I242 HydrophobicContact CG-CG1 4.48Å; W238-I242 HydrophobicContact CH2-CG1 4.27Å; W238-I242 HydrophobicContact CZ2-CD1 4.36Å; W238-I242 HydrophobicContact CZ2-CG1 3.72Å; W238-I242 WeakPolarHBondContact O-CG1 3.21Å; W238-I242 PolarHBondContact O-N 3.15Å
239V86.3Confident80.4Confident68 Ų6891.4 Ų91.441%0.41247%0.465SS..Hα-helixtrans-59.4-46.1176169.50000110.3V235 D236 S241 I242 S243V235-V239 HydrophobicContact CG1-CG2 4.32Å; V235-V239 WeakPolarHBondContact O-CG2 3.49Å; V235-V239 PolarHBondContact O-N 3.38Å; D236-V239 WeakPolarHBondContact O-CB 3.41Å; D236-V239 PolarHBondContact O-N 3.16Å; D236-V239 VanDerWaalsContact O-N 3.11Å; V239-S241 VanDerWaalsContact C-N 3.34Å; V239-S241 PolarHBondContact O-N 3.16Å; V239-I242 PolarHBondContact O-N 2.78Å; V239-S243 VanDerWaalsContact O-CB 3.25Å; V239-S243 WeakPolarHBondContact O-CB 3.35Å; V239-S243 PolarHBondContact O-N 3.01Å; V239-S243 PolarHBondContact O-OG 3.05Å
240D87.3Confident79.8Confident102 Ų10284.6 Ų84.655%0.54545%0.453SS..Hα-helixtrans-60.7-45.9177.8-71.5-23.8000111.1D236 W238 I242 S243 A244D236-D240 PolarHBondContact O-N 2.79Å; W238-D240 VanDerWaalsContact C-N 3.33Å; W238-D240 PolarHBondContact O-N 3.16Å; D240-I242 PolarHBondContact O-N 2.92Å; D240-S243 WeakPolarHBondContact CA-OG 3.49Å; D240-S243 PolarHBondContact O-N 3.11Å; D240-S243 PolarHBondContact O-OG 3.25Å; D240-A244 WeakPolarHBondContact O-CB 3.34Å; D240-A244 PolarHBondContact O-N 3.17Å
241S84.4Confident78.9Confident43 Ų4383.9 Ų83.930%0.30145%0.45SS..Hα-helixtrans-61.5-43.6178.8-61.50000113S237 W238 V239 A244 L245S237-S241 WeakPolarHBondContact O-CB 3.3Å; S237-S241 PolarHBondContact O-N 2.63Å; S237-S241 PolarHBondContact O-OG 3.11Å; W238-S241 PolarHBondContact O-N 3.22Å; V239-S241 VanDerWaalsContact C-N 3.34Å; V239-S241 PolarHBondContact O-N 3.16Å; S241-A244 PolarHBondContact O-N 3.11Å; S241-L245 PolarHBondContact O-N 3.14Å
242I83.7Confident78.2Confident25 Ų2584.6 Ų84.613%0.12847%0.469CS..Hα-helixtrans-72.8-35.5176.3-63.5-60.7000111.6V202 L205 W238 V239 D240 A244 L245 H246V202-I242 HydrophobicContact CG2-CD1 4.39Å; L205-I242 HydrophobicContact CD1-CD1 3.93Å; W238-I242 HydrophobicContact CD2-CG1 4.01Å; W238-I242 HydrophobicContact CG-CG1 4.48Å; W238-I242 HydrophobicContact CH2-CG1 4.27Å; W238-I242 HydrophobicContact CZ2-CD1 4.36Å; W238-I242 HydrophobicContact CZ2-CG1 3.72Å; W238-I242 WeakPolarHBondContact O-CG1 3.21Å; W238-I242 PolarHBondContact O-N 3.15Å; V239-I242 PolarHBondContact O-N 2.78Å; D240-I242 PolarHBondContact O-N 2.92Å; I242-A244 VanDerWaalsContact C-N 3.28Å; I242-A244 PolarHBondContact O-N 2.88Å; I242-L245 HydrophobicContact CD1-CD2 4.49Å; I242-L245 WeakPolarHBondContact O-CB 3.46Å; I242-L245 PolarHBondContact O-N 3.14Å; I242-H246 PolarHBondContact O-N 2.96Å
243S83.4Confident77.2Confident32 Ų3285.1 Ų85.122%0.22447%0.474CS..Hα-helixtrans-62.3-39.5174.779.90000110.9V239 D240 H246 R247V239-S243 VanDerWaalsContact O-CB 3.25Å; V239-S243 WeakPolarHBondContact O-CB 3.35Å; V239-S243 PolarHBondContact O-N 3.01Å; V239-S243 PolarHBondContact O-OG 3.05Å; D240-S243 WeakPolarHBondContact CA-OG 3.49Å; D240-S243 PolarHBondContact O-N 3.11Å; D240-S243 PolarHBondContact O-OG 3.25Å; S243-H246 CarbonylContact O-C 3.49Å; S243-H246 PolarHBondContact O-N 3.1Å; S243-R247 WeakPolarHBondContact O-CG 3.43Å; S243-R247 PolarHBondContact O-N 3.11Å; S243-R247 PolarHBondContact OG-NH1 3.31Å
244A82.4Confident76.8Confident51 Ų5179 Ų7942%0.42146%0.461SS..Hα-helixtrans-63.2-43.9174.900000111.7D240 S241 I242 H246 R247 S248D240-A244 WeakPolarHBondContact O-CB 3.34Å; D240-A244 PolarHBondContact O-N 3.17Å; S241-A244 PolarHBondContact O-N 3.11Å; I242-A244 VanDerWaalsContact C-N 3.28Å; I242-A244 PolarHBondContact O-N 2.88Å; A244-H246 VanDerWaalsContact C-N 3.25Å; A244-H246 PolarHBondContact O-N 3.16Å; A244-R247 WeakPolarHBondContact O-CB 3.42Å; A244-R247 PolarHBondContact O-N 3Å; A244-R247 VanDerWaalsContact O-N 3.11Å; A244-S248 PolarHBondContact O-N 3.4Å; A244-S248 VanDerWaalsContact O-N 3.17Å; A244-S248 PolarHBondContact O-OG 3.07Å
245L80.5Confident76.4Confident21 Ų2187.8 Ų87.811%0.1148%0.483CS..Hα-helixtrans-59.4-35.8172.9-174.171.7000112.4L205 F206 E209 S241 I242 S248L205-L245 HydrophobicContact CB-CD2 3.98Å; F206-L245 HydrophobicContact CB-CD1 4.25Å; F206-L245 HydrophobicContact CD2-CD1 3.83Å; F206-L245 HydrophobicContact CG-CD1 4.49Å; E209-L245 WeakPolarHBondContact OE2-CD1 3.38Å; S241-L245 PolarHBondContact O-N 3.14Å; I242-L245 HydrophobicContact CD1-CD2 4.49Å; I242-L245 WeakPolarHBondContact O-CB 3.46Å; I242-L245 PolarHBondContact O-N 3.14Å; L245-S248 PolarHBondContact O-OG 3.24Å
246H77.1Confident76.3Confident120 Ų12092.8 Ų92.856%0.55650%0.499SS*.Hα-helixtrans-78-28.7175.6-72.4179.6000113I242 S243 A244 S248 K249I242-H246 PolarHBondContact O-N 2.96Å; S243-H246 CarbonylContact O-C 3.49Å; S243-H246 PolarHBondContact O-N 3.1Å; A244-H246 VanDerWaalsContact C-N 3.25Å; A244-H246 PolarHBondContact O-N 3.16Å; H246-S248 VanDerWaalsContact C-N 3.32Å; H246-K249 WeakPolarHBondContact O-CB 3.37Å; H246-K249 PolarHBondContact O-N 2.95Å; H246-K249 VanDerWaalsContact O-N 3.12Å; H246-K249 VanDerWaalsContact O-O 3.04Å
247R77.6Confident75.9Confident191 Ų19194.1 Ų94.172%0.72152%0.515SS*.Hα-helixtrans-64.4-36.6173.2-74.7-179.2-173.1104.3-1.7111.7S243 A244 K249S243-R247 WeakPolarHBondContact O-CG 3.43Å; S243-R247 PolarHBondContact O-N 3.11Å; S243-R247 PolarHBondContact OG-NH1 3.31Å; A244-R247 WeakPolarHBondContact O-CB 3.42Å; A244-R247 PolarHBondContact O-N 3Å; A244-R247 VanDerWaalsContact O-N 3.11Å; R247-K249 PolarHBondContact O-N 2.99Å
248S67.2Low75.9Confident66 Ų6698.2 Ų98.246%0.46252%0.519SS..THydrogen-bonded Turntrans-69.8-13.9174.250.70000113.4A244 L245 H246 P250A244-S248 PolarHBondContact O-N 3.4Å; A244-S248 VanDerWaalsContact O-N 3.17Å; A244-S248 PolarHBondContact O-OG 3.07Å; L245-S248 PolarHBondContact O-OG 3.24Å; H246-S248 VanDerWaalsContact C-N 3.32Å; S248-P250 WeakPolarHBondContact O-CD 3.35Å
249K68.1Low75.8Confident123 Ų123100 Ų10054%0.53554%0.541SS..SBendtrans-96.497.2175.5-164.3171.2-172172.10109.5H246 R247H246-K249 WeakPolarHBondContact O-CB 3.37Å; H246-K249 PolarHBondContact O-N 2.95Å; H246-K249 VanDerWaalsContact O-N 3.12Å; H246-K249 VanDerWaalsContact O-O 3.04Å; R247-K249 PolarHBondContact O-N 2.99Å
250P58.5Low75.8Confident103 Ų10399.9 Ų99.967%0.66954%0.536SS*.  trans-55.5135.7165.924.8-32.1000107.4S248 A252S248-P250 WeakPolarHBondContact O-CD 3.35Å; P250-A252 PolarHBondContact O-N 2.99Å
251P58.8Low75.8Confident97 Ų9797.6 Ų97.663%0.6353%0.527SS*.  trans-54.8120.8-179.418.7-28.9000108.5S253P251-S253 PolarHBondContact O-N 2.96Å
252A60.2Low75.9Confident106 Ų106100 Ų10088%0.87654%0.537SS*.SBendtrans-60-11.5-176.800000113.1P250P250-A252 PolarHBondContact O-N 2.99Å
253S63.5Low76.1Confident83 Ų83104.4 Ų104.458%0.5856%0.56SS**  trans-146.8118174.1177.30000109.5P251P251-S253 PolarHBondContact O-N 2.96Å
254V74.5Confident76.3Confident89 Ų89108.9 Ų108.954%0.53958%0.581SS.*  trans-81113164.7178.30000107Y256V254-Y256 HydrophobicContact CG1-CD1 4.04Å; V254-Y256 HydrophobicContact CG1-CE1 3.66Å
255R72.7Confident76.6Confident230 Ų230109.9 Ų109.987%0.86859%0.585SS**  trans-89.1105172.1-75-176.1161.5174.1-4.7108.7
256Y79.6Confident76.9Confident148 Ų148112.3 Ų112.358%0.5860%0.598SS**  trans-67.6140.6171.9-56.5-70.6000110.2V254 R258 M260V254-Y256 HydrophobicContact CG1-CD1 4.04Å; V254-Y256 HydrophobicContact CG1-CE1 3.66Å; Y256-R258 WeakPolarHBondContact CB-O 3.36Å; Y256-R258 PolarHBondContact O-N 2.73Å; Y256-M260 HydrophobicContact CD1-CG 3.72Å; Y256-M260 HydrophobicContact CD2-CB 3.93Å; Y256-M260 HydrophobicContact CD2-CG 3.56Å; Y256-M260 HydrophobicContact CE1-CG 4.19Å; Y256-M260 HydrophobicContact CE2-CB 4.27Å; Y256-M260 HydrophobicContact CE2-CG 4.04Å; Y256-M260 HydrophobicContact CG-CB 4.25Å; Y256-M260 HydrophobicContact CG-CG 3.38Å
257S79.7Confident77.5Confident117 Ų117113.3 Ų113.382%0.81861%0.605SS**SBendtrans-69.8-23.3178.255.80000112.7
258R82.7Confident78Confident157 Ų157110.1 Ų110.159%0.59260%0.598SS**SBendtrans-134.3167.2-179.5-69.1178.5-176.2-134.29.4109.9Y256 M260 H308Y256-R258 WeakPolarHBondContact CB-O 3.36Å; Y256-R258 PolarHBondContact O-N 2.73Å; R258-M260 PolarHBondContact O-N 3.35Å; R258-H308 VanDerWaalsContact CB-NE2 3.26Å; R258-H308 WeakPolarHBondContact CB-NE2 3.49Å; R258-H308 WeakPolarHBondContact CD-ND1 3.47Å
259T83.1Confident79.1Confident128 Ų128114.7 Ų114.779%0.78561%0.612SS**  trans-63.4115.7-179.151.60000110.4
260M86.9Confident80Confident65 Ų65113.1 Ų113.132%0.3260%0.603SS.*PPolyproline II helixtrans-94150.4168.9-72.7-67.2-71.200109.8Y256 R258 I305 P306Y256-M260 HydrophobicContact CD1-CG 3.72Å; Y256-M260 HydrophobicContact CD2-CB 3.93Å; Y256-M260 HydrophobicContact CD2-CG 3.56Å; Y256-M260 HydrophobicContact CE1-CG 4.19Å; Y256-M260 HydrophobicContact CE2-CB 4.27Å; Y256-M260 HydrophobicContact CE2-CG 4.04Å; Y256-M260 HydrophobicContact CG-CB 4.25Å; Y256-M260 HydrophobicContact CG-CG 3.38Å; R258-M260 PolarHBondContact O-N 3.35Å; M260-I305 HydrophobicContact CE-CG2 3.5Å; M260-I305 VanDerWaalsContact CE-CG2 3.5Å; M260-P306 HydrophobicContact SD-CG 4.12Å
261P86.6Confident81.5Confident54 Ų54111.3 Ų111.335%0.35159%0.591SS.*PPolyproline II helixtrans-54.4146.7167.8-22.232.8000111P306P261-P306 VanDerWaalsContact CD-CD 3.48Å; P261-P306 HydrophobicContact CG-CG 4.49Å
262D87.1Confident82.8Confident95 Ų95111.2 Ų111.251%0.50859%0.59SS.*PPolyproline II helixtrans-70.3152.4170.158.9-62.1000111D264 S265 L266D262-D264 VanDerWaalsContact C-N 3.26Å; D262-D264 PolarHBondContact O-N 3.35Å; D262-S265 PolarHBondContact O-N 3.14Å; D262-S265 WeakPolarHBondContact OD1-CB 3.27Å; D262-S265 WeakPolarHBondContact OD2-CB 2.78Å; D262-S265 PolarHBondContact OD2-N 3.19Å; D262-L266 PolarHBondContact O-N 3.34Å
263L87.4Confident84.2Confident117 Ų117113.9 Ų113.961%0.61359%0.585SS**Hα-helixtrans-61.7-37.7-178.4-178.164000111.7L266 M267L263-L266 PolarHBondContact O-N 3.26Å; L263-L266 VanDerWaalsContact O-N 3.17Å; L263-M267 HydrophobicContact CD1-CG 4.42Å; L263-M267 HydrophobicContact CD1-SD 4.41Å; L263-M267 HydrophobicContact CD2-SD 4.46Å; L263-M267 HydrophobicContact CG-CG 4.44Å; L263-M267 HydrophobicContact CG-SD 4.05Å; L263-M267 WeakPolarHBondContact O-CG 3.5Å; L263-M267 PolarHBondContact O-N 3.07Å
264D88.6Confident85.2Confident125 Ų125112.1 Ų112.167%0.66857%0.57SS**Hα-helixtrans-65.6-40.8-178.6-63.1-22.3000110.9D262 L266 M267 Q268D262-D264 VanDerWaalsContact C-N 3.26Å; D262-D264 PolarHBondContact O-N 3.35Å; D264-L266 VanDerWaalsContact C-N 3.32Å; D264-L266 PolarHBondContact O-N 3.09Å; D264-M267 PolarHBondContact O-N 3.1Å; D264-Q268 PolarHBondContact O-N 3.36Å
265S87.6Confident85.7Confident73 Ų73114 Ų11451%0.5157%0.573SS.*Hα-helixtrans-62.4-35.5172.4-174.80000113.2D262 M267 Q268D262-S265 PolarHBondContact O-N 3.14Å; D262-S265 WeakPolarHBondContact OD1-CB 3.27Å; D262-S265 WeakPolarHBondContact OD2-CB 2.78Å; D262-S265 PolarHBondContact OD2-N 3.19Å; S265-M267 VanDerWaalsContact C-N 3.33Å; S265-Q268 WeakPolarHBondContact O-CB 3.19Å
266L88.3Confident86.4Confident72 Ų72110.5 Ų110.538%0.37757%0.567SS.*Hα-helixtrans-74.7-25177.7-173.862.3000112.5D262 L263 D264 Q268 L303 I305D262-L266 PolarHBondContact O-N 3.34Å; L263-L266 PolarHBondContact O-N 3.26Å; L263-L266 VanDerWaalsContact O-N 3.17Å; D264-L266 VanDerWaalsContact C-N 3.32Å; D264-L266 PolarHBondContact O-N 3.09Å; L266-Q268 VanDerWaalsContact C-N 3.29Å; L266-L303 HydrophobicContact CD1-CB 4.34Å; L266-L303 WeakPolarHBondContact CD1-O 3.29Å; L266-I305 HydrophobicContact CD1-CG1 4.25Å; L266-I305 HydrophobicContact CD2-CD1 4.07Å; L266-I305 HydrophobicContact CD2-CG1 4.39Å
267M88.6Confident86.6Confident141 Ų141108.4 Ų108.470%0.69557%0.565SS**THydrogen-bonded Turntrans-84.7-0.3177.4-72.9-176.357.300113.8L263 D264 S265L263-M267 HydrophobicContact CD1-CG 4.42Å; L263-M267 HydrophobicContact CD1-SD 4.41Å; L263-M267 HydrophobicContact CD2-SD 4.46Å; L263-M267 HydrophobicContact CG-CG 4.44Å; L263-M267 HydrophobicContact CG-SD 4.05Å; L263-M267 WeakPolarHBondContact O-CG 3.5Å; L263-M267 PolarHBondContact O-N 3.07Å; D264-M267 PolarHBondContact O-N 3.1Å; S265-M267 VanDerWaalsContact C-N 3.33Å
268Q89.2Confident86.7Confident124 Ų124106.1 Ų106.158%0.57954%0.543SS*.SBendtrans-64148.4178.4-171.561.430.900111.4D264 S265 L266D264-Q268 PolarHBondContact O-N 3.36Å; S265-Q268 WeakPolarHBondContact O-CB 3.19Å; L266-Q268 VanDerWaalsContact C-N 3.29Å
269E89.2Confident86.6Confident162 Ų162102.1 Ų102.176%0.75755%0.551SS**PPolyproline II helixtrans-59.4140.8174.167.2-168.7170.700111.8
270W86.8Confident86.4Confident90 Ų90100 Ų10034%0.34155%0.546SS..PPolyproline II helixtrans-65.9142.7177-7198.5000110.4V274 E275 L302 L303W270-V274 HydrophobicContact CD2-CG1 4.38Å; W270-V274 HydrophobicContact CE3-CB 4.41Å; W270-V274 HydrophobicContact CE3-CG1 3.7Å; W270-V274 HydrophobicContact CZ3-CG1 4.28Å; W270-E275 HydrophobicContact CB-CB 4.32Å; W270-L302 WeakPolarHBondContact CH2-O 3.27Å; W270-L303 HydrophobicContact CH2-CD2 4.24Å; W270-L303 HydrophobicContact CZ2-CD2 3.86Å
271P89.6Confident85.7Confident65 Ų65102 Ų10242%0.42256%0.557SS.*PPolyproline II helixtrans-54.7142.4169.6-23.332.9000110.4E273 V274 E275P271-E273 PolarHBondContact O-N 3.17Å; P271-E273 VanDerWaalsContact O-N 3.08Å; P271-V274 HydrophobicContact CB-CG2 4.25Å; P271-V274 HydrophobicContact CG-CG2 4.33Å; P271-V274 WeakPolarHBondContact O-CA 3.29Å; P271-V274 PolarHBondContact O-N 3.33Å; P271-E275 PolarHBondContact O-N 3.14Å
272P87.2Confident84.9Confident95 Ų95108.1 Ų108.162%0.61758%0.581SS**Hα-helixtrans-59.8-29.9-172.323.4-34.4000112.9E276P272-E276 WeakPolarHBondContact O-CB 3.4Å; P272-E276 PolarHBondContact O-N 2.94Å
273E88.6Confident84.1Confident161 Ų161109.1 Ų109.175%0.75259%0.586SS**Hα-helixtrans-65.4-38.3175.3-62.7158.2-173.500112.3P271 L277P271-E273 PolarHBondContact O-N 3.17Å; P271-E273 VanDerWaalsContact O-N 3.08Å; E273-L277 PolarHBondContact O-N 3.09Å
274V84.9Confident83.4Confident47 Ų47105 Ų10529%0.28557%0.567SS.*Hα-helixtrans-78.9-40.3178.8-179.90000110W270 P271 L277 L278W270-V274 HydrophobicContact CD2-CG1 4.38Å; W270-V274 HydrophobicContact CE3-CB 4.41Å; W270-V274 HydrophobicContact CE3-CG1 3.7Å; W270-V274 HydrophobicContact CZ3-CG1 4.28Å; P271-V274 HydrophobicContact CB-CG2 4.25Å; P271-V274 HydrophobicContact CG-CG2 4.33Å; P271-V274 WeakPolarHBondContact O-CA 3.29Å; P271-V274 PolarHBondContact O-N 3.33Å; V274-L277 WeakPolarHBondContact O-CB 3.42Å; V274-L277 PolarHBondContact O-N 3.4Å; V274-L278 HydrophobicContact CG1-CD1 4.49Å; V274-L278 WeakPolarHBondContact O-CB 3.46Å; V274-L278 PolarHBondContact O-N 3.45Å
275E86.4Confident82.6Confident128 Ų128103 Ų10360%0.59856%0.56SS**Hα-helixtrans-61.5-44.7177.4-173-179-176.200112W270 P271 L277 L278 G279W270-E275 HydrophobicContact CB-CB 4.32Å; P271-E275 PolarHBondContact O-N 3.14Å; E275-L277 VanDerWaalsContact C-N 3.28Å; E275-L277 PolarHBondContact O-N 3.14Å; E275-L278 PolarHBondContact O-N 3.38Å; E275-G279 PolarHBondContact O-N 3.47Å
276E86.7Confident81.5Confident157 Ų157104.3 Ų104.373%0.73458%0.576SS**Hα-helixtrans-61.5-39.6175.6-173.3176.1-178.700111.2P272 G279 A280P272-E276 WeakPolarHBondContact O-CB 3.4Å; P272-E276 PolarHBondContact O-N 2.94Å; E276-G279 PolarHBondContact O-N 3.35Å; E276-A280 PolarHBondContact O-N 3.18Å; E276-A280 VanDerWaalsContact O-N 3.11Å
277L83.4Confident80.4Confident103 Ų103112.2 Ų112.254%0.53960%0.6SS.*Hα-helixtrans-68.7-40.5177.1-167.269.2000112.2E273 V274 E275 G279 A280 L281E273-L277 PolarHBondContact O-N 3.09Å; V274-L277 WeakPolarHBondContact O-CB 3.42Å; V274-L277 PolarHBondContact O-N 3.4Å; E275-L277 VanDerWaalsContact C-N 3.28Å; E275-L277 PolarHBondContact O-N 3.14Å; L277-G279 VanDerWaalsContact C-N 3.32Å; L277-A280 PolarHBondContact O-N 3.24Å; L277-L281 HydrophobicContact CD1-CD1 3.38Å; L277-L281 HydrophobicContact CD2-CD1 4.48Å; L277-L281 HydrophobicContact CG-CD1 3.64Å; L277-L281 WeakPolarHBondContact O-CB 3.47Å; L277-L281 PolarHBondContact O-N 3.41Å
278L81.4Confident79.6Confident69 Ų69109.2 Ų109.236%0.36159%0.587SS.*Hα-helixtrans-69.4-30.4175.5-125.778000112.2V274 E275 A280 L302V274-L278 HydrophobicContact CG1-CD1 4.49Å; V274-L278 WeakPolarHBondContact O-CB 3.46Å; V274-L278 PolarHBondContact O-N 3.45Å; E275-L278 PolarHBondContact O-N 3.38Å; L278-A280 VanDerWaalsContact C-N 3.3Å; L278-L302 HydrophobicContact CD1-CD1 4.33Å
279G80.1Confident78.8Confident73 Ų73108.9 Ų108.975%0.75361%0.605SS**Hα-helixtrans-68.2-30.9171.500000112.5E275 E276 L277E275-G279 PolarHBondContact O-N 3.47Å; E276-G279 PolarHBondContact O-N 3.35Å; L277-G279 VanDerWaalsContact C-N 3.32Å
280A79.4Confident78.4Confident83 Ų83103.3 Ų103.369%0.68658%0.584SS**Hα-helixtrans-88.9-34.7178.900000113.8E276 L277 L278E276-A280 PolarHBondContact O-N 3.18Å; E276-A280 VanDerWaalsContact O-N 3.11Å; L277-A280 PolarHBondContact O-N 3.24Å; L278-A280 VanDerWaalsContact C-N 3.3Å
281L72.6Confident78.3Confident107 Ų107101.6 Ų101.656%0.5659%0.585SS**SBendtrans-102123.9178.5-84.2117.1000111L277L277-L281 HydrophobicContact CD1-CD1 3.38Å; L277-L281 HydrophobicContact CD2-CD1 4.48Å; L277-L281 HydrophobicContact CG-CD1 3.64Å; L277-L281 WeakPolarHBondContact O-CB 3.47Å; L277-L281 PolarHBondContact O-N 3.41Å
282Q69.3Low78.1Confident183 Ų183105.3 Ų105.386%0.85560%0.601SS**PPolyproline II helixtrans-65.8145165.6-63.5-154.7-30.300110.2
283L70.9Confident78.2Confident116 Ų116104.6 Ų104.661%0.60760%0.597SS**PPolyproline II helixtrans-47.5144.7174.2-73.4168.2000110.5P285 L302L283-P285 WeakPolarHBondContact O-CD 3.39Å; L283-L302 HydrophobicContact CD2-CD2 3.79Å
284P72.9Confident78.1Confident32 Ų32102.3 Ų102.321%0.20859%0.586CS.*  trans-45.3111.9-176.8-27.933.2000111.2L288 Y295 L298P284-L288 HydrophobicContact CB-CD1 3.42Å; P284-L288 VanDerWaalsContact CB-CD1 3.42Å; P284-Y295 HydrophobicContact CB-CE2 4.24Å; P284-Y295 PolarHBondContact O-OH 3.26Å; P284-L298 HydrophobicContact CB-CD2 4.04Å; P284-L298 HydrophobicContact CG-CD2 3.55Å
285P70.6Confident78.2Confident81 Ų81103.6 Ų103.653%0.52659%0.586SS.*  trans-70.8150.2-175.527-33.4000110L283 R287 L288L283-P285 WeakPolarHBondContact O-CD 3.39Å; P285-R287 PolarHBondContact O-N 3.34Å; P285-L288 PolarHBondContact O-N 3.11Å; P285-L288 VanDerWaalsContact O-N 3.09Å
286A65.2Low78.3Confident101 Ų10199.6 Ų99.684%0.83558%0.575SS**THydrogen-bonded Turntrans-59.23.317700000115.2L288A286-L288 VanDerWaalsContact C-N 3.32Å
287R64.8Low78.4Confident238 Ų23895.7 Ų95.790%0.89856%0.559SS**THydrogen-bonded Turntrans-85.4-1.6173.2-62.7-176.8179.3-139.3-0.9113.5P285 A289P285-R287 PolarHBondContact O-N 3.34Å; R287-A289 PolarHBondContact O-N 3.33Å
288L71.5Confident78.6Confident78 Ų7894 Ų9441%0.40855%0.55SS.*SBendtrans-62.7129.8169.6-83.3145.7000109.1P284 P285 A286 C290P284-L288 HydrophobicContact CB-CD1 3.42Å; P284-L288 VanDerWaalsContact CB-CD1 3.42Å; P285-L288 PolarHBondContact O-N 3.11Å; P285-L288 VanDerWaalsContact O-N 3.09Å; A286-L288 VanDerWaalsContact C-N 3.32Å; L288-C290 PolarHBondContact O-N 3.02Å
289A73.8Confident78.8Confident117 Ų11792.9 Ų92.997%0.96755%0.546SS*.SBendtrans-7559.7176.200000110.8R287R287-A289 PolarHBondContact O-N 3.33Å
290C80.6Confident79.3Confident45 Ų4591.2 Ų91.230%0.30452%0.523SS..  trans-125.6150.4178.958.90000110.9L288 Q294L288-C290 PolarHBondContact O-N 3.02Å; C290-Q294 HydrophobicContact CB-CB 4.12Å
291S84.5Confident79.6Confident54 Ų5490.9 Ų90.938%0.37852%0.515SS..  trans-70.9156.9173.162.60000111.4P293 Q294 Y295S291-P293 VanDerWaalsContact C-CD 3.5Å; S291-Q294 WeakPolarHBondContact O-CB 3.35Å; S291-Q294 PolarHBondContact O-N 3.22Å; S291-Q294 VanDerWaalsContact OG-CG 3.3Å; S291-Q294 WeakPolarHBondContact OG-CG 3.45Å; S291-Q294 PolarHBondContact OG-OE1 3.43Å; S291-Y295 PolarHBondContact O-N 3.44Å
292L86.2Confident80.3Confident144 Ų14488.5 Ų88.575%0.75450%0.503SS*.Hα-helixtrans-48-47.2176.4-178.365.4000114.1Y295 A296L292-Y295 PolarHBondContact O-N 3.44Å; L292-A296 PolarHBondContact O-N 3.08Å
293P87.9Confident81.1Confident80 Ų8082.9 Ų82.952%0.51948%0.478SS..Hα-helixtrans-64.1-41.1177.422.8-33.4000112.5S291 Y295 A296 D297S291-P293 VanDerWaalsContact C-CD 3.5Å; P293-Y295 VanDerWaalsContact C-N 3.29Å; P293-Y295 PolarHBondContact O-N 3.21Å; P293-A296 WeakPolarHBondContact O-CB 3.3Å; P293-A296 PolarHBondContact O-N 3.46Å; P293-D297 PolarHBondContact O-N 3.39Å
294Q86.5Confident81.9Confident112 Ų11283.4 Ų83.452%0.52348%0.482SS..Hα-helixtrans-65.6-34.1177.5-70.3167.9-27.400112.4C290 S291 L298C290-Q294 HydrophobicContact CB-CB 4.12Å; S291-Q294 WeakPolarHBondContact O-CB 3.35Å; S291-Q294 PolarHBondContact O-N 3.22Å; S291-Q294 VanDerWaalsContact OG-CG 3.3Å; S291-Q294 WeakPolarHBondContact OG-CG 3.45Å; S291-Q294 PolarHBondContact OG-OE1 3.43Å; Q294-L298 WeakPolarHBondContact O-CB 3.49Å; Q294-L298 PolarHBondContact O-N 3.4Å
295Y88.1Confident82.7Confident74 Ų7483.7 Ų83.729%0.2948%0.481SS..Hα-helixtrans-68.2-43.5173.9-176.1-97.8000111.4P284 S291 L292 P293 D297 L298 V299P284-Y295 HydrophobicContact CB-CE2 4.24Å; P284-Y295 PolarHBondContact O-OH 3.26Å; S291-Y295 PolarHBondContact O-N 3.44Å; L292-Y295 PolarHBondContact O-N 3.44Å; P293-Y295 VanDerWaalsContact C-N 3.29Å; P293-Y295 PolarHBondContact O-N 3.21Å; Y295-D297 VanDerWaalsContact C-N 3.32Å; Y295-D297 PolarHBondContact O-N 3.49Å; Y295-L298 PolarHBondContact O-N 3.47Å; Y295-V299 HydrophobicContact CD1-CG2 4.26Å; Y295-V299 HydrophobicContact CE1-CG2 3.81Å; Y295-V299 HydrophobicContact CE2-CG2 4.49Å; Y295-V299 WeakPolarHBondContact O-CG2 3.46Å; Y295-V299 PolarHBondContact O-N 3.4Å
296A88.3Confident83.6Confident45 Ų4582.2 Ų82.237%0.37247%0.472SS..Hα-helixtrans-59.3-43.6174.500000111.4L292 P293 L298 V299 C300L292-A296 PolarHBondContact O-N 3.08Å; P293-A296 WeakPolarHBondContact O-CB 3.3Å; P293-A296 PolarHBondContact O-N 3.46Å; A296-L298 VanDerWaalsContact C-N 3.33Å; A296-L298 PolarHBondContact O-N 2.87Å; A296-V299 PolarHBondContact O-N 3.12Å; A296-C300 WeakPolarHBondContact O-CB 3.28Å; A296-C300 PolarHBondContact O-N 3.11Å; A296-C300 PolarHBondContact O-SG 3.48Å; A296-C300 VanDerWaalsContact O-SG 3.36Å
297D88.2Confident84.7Confident74 Ų7480.9 Ų80.940%0.39645%0.453SS..Hα-helixtrans-61.7-41.1176.9-65.4-11.3000112.3P293 Y295 C300 S301 V307P293-D297 PolarHBondContact O-N 3.39Å; Y295-D297 VanDerWaalsContact C-N 3.32Å; Y295-D297 PolarHBondContact O-N 3.49Å; D297-C300 PolarHBondContact O-N 3.29Å; D297-S301 WeakPolarHBondContact O-CB 3.49Å; D297-S301 PolarHBondContact O-N 3.21Å; D297-S301 PolarHBondContact O-OG 3.15Å; D297-V307 HydrophobicContact CB-CG2 4.47Å; D297-V307 WeakPolarHBondContact OD1-CG1 3.42Å
298L86.9Confident85.5Confident68 Ų6872.8 Ų72.836%0.35643%0.425SS..Hα-helixtrans-64.1-44.4177.7-169.9150.2000111.2P284 Q294 Y295 A296 S301 L302P284-L298 HydrophobicContact CB-CD2 4.04Å; P284-L298 HydrophobicContact CG-CD2 3.55Å; Q294-L298 WeakPolarHBondContact O-CB 3.49Å; Q294-L298 PolarHBondContact O-N 3.4Å; Y295-L298 PolarHBondContact O-N 3.47Å; A296-L298 VanDerWaalsContact C-N 3.33Å; A296-L298 PolarHBondContact O-N 2.87Å; L298-S301 PolarHBondContact O-N 3.46Å; L298-S301 PolarHBondContact O-OG 3.36Å; L298-L302 PolarHBondContact O-N 2.95Å
299V87.3Confident85.6Confident46 Ų4672.3 Ų72.328%0.27944%0.439SS..Hα-helixtrans-67.4-42.6177.21760000111.4Y295 A296 S301 L302 L303Y295-V299 HydrophobicContact CD1-CG2 4.26Å; Y295-V299 HydrophobicContact CE1-CG2 3.81Å; Y295-V299 HydrophobicContact CE2-CG2 4.49Å; Y295-V299 WeakPolarHBondContact O-CG2 3.46Å; Y295-V299 PolarHBondContact O-N 3.4Å; A296-V299 PolarHBondContact O-N 3.12Å; V299-S301 VanDerWaalsContact C-N 3.3Å; V299-S301 PolarHBondContact O-N 3Å; V299-L302 WeakPolarHBondContact O-CB 3.39Å; V299-L302 PolarHBondContact O-N 3.08Å; V299-L303 HydrophobicContact CG1-CD1 4.23Å; V299-L303 WeakPolarHBondContact O-CG 3.31Å; V299-L303 PolarHBondContact O-N 3.29Å; V299-L303 VanDerWaalsContact O-N 3.14Å
300C89.1Confident84.4Confident38 Ų3877.2 Ų77.226%0.25746%0.457SS..Hα-helixtrans-60.1-41.1174.2-74.30000111.4A296 D297 L302 L303 D304 I305 V307A296-C300 WeakPolarHBondContact O-CB 3.28Å; A296-C300 PolarHBondContact O-N 3.11Å; A296-C300 PolarHBondContact O-SG 3.48Å; A296-C300 VanDerWaalsContact O-SG 3.36Å; D297-C300 PolarHBondContact O-N 3.29Å; C300-L302 VanDerWaalsContact C-N 3.34Å; C300-L302 PolarHBondContact O-N 3.1Å; C300-L303 CarbonylContact O-C 3.58Å; C300-L303 PolarHBondContact O-N 3.23Å; C300-D304 PolarHBondContact O-N 3.36Å; C300-I305 CarbonylContact C-O 3.53Å; C300-I305 HydrophobicContact CB-CB 4.09Å; C300-I305 HydrophobicContact CB-CG2 4.46Å; C300-I305 WeakPolarHBondContact O-CA 3.28Å; C300-I305 WeakPolarHBondContact O-CB 3.33Å; C300-I305 PolarHBondContact O-N 3.23Å; C300-V307 HydrophobicContact CB-CG2 3.47Å; C300-V307 VanDerWaalsContact CB-CG2 3.47Å
301S86.1Confident84.6Confident76 Ų7678.9 Ų78.953%0.53147%0.465SS..Hα-helixtrans-65.4-34.5176.475.70000113.4D297 L298 V299 L303 D304D297-S301 WeakPolarHBondContact O-CB 3.49Å; D297-S301 PolarHBondContact O-N 3.21Å; D297-S301 PolarHBondContact O-OG 3.15Å; L298-S301 PolarHBondContact O-N 3.46Å; L298-S301 PolarHBondContact O-OG 3.36Å; V299-S301 VanDerWaalsContact C-N 3.3Å; V299-S301 PolarHBondContact O-N 3Å; S301-L303 VanDerWaalsContact C-N 3.28Å; S301-L303 PolarHBondContact O-N 3.3Å; S301-D304 PolarHBondContact O-N 3.11Å
302L86.7Confident84.6Confident56 Ų5680.2 Ų80.229%0.29347%0.469SS..Hα-helixtrans-66.2-34.2175179.163.9000111.6W270 L278 L283 L298 V299 C300 D304W270-L302 WeakPolarHBondContact CH2-O 3.27Å; L278-L302 HydrophobicContact CD1-CD1 4.33Å; L283-L302 HydrophobicContact CD2-CD2 3.79Å; L298-L302 PolarHBondContact O-N 2.95Å; V299-L302 WeakPolarHBondContact O-CB 3.39Å; V299-L302 PolarHBondContact O-N 3.08Å; C300-L302 VanDerWaalsContact C-N 3.34Å; C300-L302 PolarHBondContact O-N 3.1Å; L302-D304 VanDerWaalsContact C-N 3.29Å
303L87.8Confident84.5Confident65 Ų6576.6 Ų76.634%0.3445%0.454SS..THydrogen-bonded Turntrans-89.112.7179.8-63.5177.2000113.2L266 W270 V299 C300 S301 I305L266-L303 HydrophobicContact CD1-CB 4.34Å; L266-L303 WeakPolarHBondContact CD1-O 3.29Å; W270-L303 HydrophobicContact CH2-CD2 4.24Å; W270-L303 HydrophobicContact CZ2-CD2 3.86Å; V299-L303 HydrophobicContact CG1-CD1 4.23Å; V299-L303 WeakPolarHBondContact O-CG 3.31Å; V299-L303 PolarHBondContact O-N 3.29Å; V299-L303 VanDerWaalsContact O-N 3.14Å; C300-L303 CarbonylContact O-C 3.58Å; C300-L303 PolarHBondContact O-N 3.23Å; S301-L303 VanDerWaalsContact C-N 3.28Å; S301-L303 PolarHBondContact O-N 3.3Å; L303-I305 HydrophobicContact CB-CD1 3.96Å; L303-I305 HydrophobicContact CB-CG1 3.97Å; L303-I305 HydrophobicContact CD1-CD1 4.35Å; L303-I305 PolarHBondContact O-N 3.47Å; L303-I305 VanDerWaalsContact O-N 3.11Å
304D86.8Confident84.3Confident127 Ų12776.4 Ų76.468%0.67945%0.45SS*.THydrogen-bonded Turntrans54.726.7-175-70.3-44.5000114.1C300 S301 L302C300-D304 PolarHBondContact O-N 3.36Å; S301-D304 PolarHBondContact O-N 3.11Å; L302-D304 VanDerWaalsContact C-N 3.29Å
305I90.7Very high84.2Confident39 Ų3974.2 Ų74.220%0.245%0.445CS..PPolyproline II helixtrans-91.8116.2176.6-57.2176.6000108.8M260 L266 C300 L303 V307M260-I305 HydrophobicContact CE-CG2 3.5Å; M260-I305 VanDerWaalsContact CE-CG2 3.5Å; L266-I305 HydrophobicContact CD1-CG1 4.25Å; L266-I305 HydrophobicContact CD2-CD1 4.07Å; L266-I305 HydrophobicContact CD2-CG1 4.39Å; C300-I305 CarbonylContact C-O 3.53Å; C300-I305 HydrophobicContact CB-CB 4.09Å; C300-I305 HydrophobicContact CB-CG2 4.46Å; C300-I305 WeakPolarHBondContact O-CA 3.28Å; C300-I305 WeakPolarHBondContact O-CB 3.33Å; C300-I305 PolarHBondContact O-N 3.23Å; L303-I305 HydrophobicContact CB-CD1 3.96Å; L303-I305 HydrophobicContact CB-CG1 3.97Å; L303-I305 HydrophobicContact CD1-CD1 4.35Å; L303-I305 PolarHBondContact O-N 3.47Å; L303-I305 VanDerWaalsContact O-N 3.11Å; I305-V307 PolarHBondContact O-N 3.3Å
306P89.2Confident84Confident50 Ų5074.2 Ų74.233%0.32546%0.455SS..PPolyproline II helixtrans-70.8120.8-178.628.9-33.4000110.6M260 P261M260-P306 HydrophobicContact SD-CG 4.12Å; P261-P306 VanDerWaalsContact CD-CD 3.48Å; P261-P306 HydrophobicContact CG-CG 4.49Å
307V87.2Confident83.6Confident72 Ų7276.3 Ų76.344%0.43646%0.461SS..PPolyproline II helixtrans-87.8117.4167.6-171.70000108.9D297 C300 I305D297-V307 HydrophobicContact CB-CG2 4.47Å; D297-V307 WeakPolarHBondContact OD1-CG1 3.42Å; C300-V307 HydrophobicContact CB-CG2 3.47Å; C300-V307 VanDerWaalsContact CB-CG2 3.47Å; I305-V307 PolarHBondContact O-N 3.3Å
308H82.3Confident83.3Confident69 Ų6976.5 Ų76.532%0.31947%0.466SS..  trans-89.6111.9174-59.6-55.7000108.7R258R258-H308 VanDerWaalsContact CB-NE2 3.26Å; R258-H308 WeakPolarHBondContact CB-NE2 3.49Å; R258-H308 WeakPolarHBondContact CD-ND1 3.47Å
309G73.3Confident83Confident67 Ų6777.2 Ų77.269%0.69148%0.476SS*.  trans-54.4144.9169.300000110.8
310T49.5Very low82.6Confident221 Ų22180 Ų80100%1.35649%0.493SS*.  trans-71017135.90000111.2

Retrieved 310 of 310 residues in 104.8 ms (Link to these results)