A0A3Q0KT60_SCHMA Loading...

PEHE domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KT60, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 506 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.8Very low46.8Very low250 Ų250166 Ų166100%1.23287%0.873SS**  092.40-60.2-83.8-89.200107.6
2G41.9Very low45.9Very low77 Ų77165.2 Ų165.279%0.79487%0.87SS**  cis112.470.117.500000111
3Q52.7Low45.8Very low201 Ų201163.8 Ų163.894%0.93987%0.872SS**  trans-145.1108.6154.7-76.1-153.58.700111.5
4K53.1Low45.5Very low208 Ų208161.9 Ų161.990%0.90486%0.862SS**PPolyproline II helixtrans-80.3147.5168.9-75.7177172.8178.10109.6
5R44.3Very low45.3Very low245 Ų245163.4 Ų163.493%0.92587%0.869SS**PPolyproline II helixtrans-67.2150.3166.2-71.7178.8174.9153.7-1.1111.6
6P58.6Low45.1Very low127 Ų127164 Ų16483%0.82586%0.862SS**PPolyproline II helixtrans-102.1137.8158.531-20.3000112.1
7S40.5Very low44.9Very low98 Ų98162.1 Ų162.169%0.68586%0.858SS**  trans-112.3137.8160.4167.90000107.4
8P55.3Low44.7Very low126 Ų126158.9 Ų158.982%0.81886%0.859SS**  trans-110.1114.7167.431.2-17.8000111.1
9Y38.5Very low44.7Very low220 Ų220161.4 Ų161.486%0.86386%0.861SS**  trans-105.6119.2150.9-94.2-85.5000107.1
10L44.5Very low44.4Very low171 Ų171165.9 Ų165.990%0.89587%0.865SS**  trans-165.4145.7160.5-80.1179.9000106.1
11S41.1Very low44.1Very low103 Ų103163 Ų16372%0.7286%0.859SS**  cis-172.5151.8-17.943.20000106.7
12N36.3Very low43.8Very low156 Ų156162 Ų16283%0.83484%0.842SS**  trans-52.8155179-61.2-52.5000115.2
13T43.9Very low43.6Very low148 Ų148170.1 Ų170.191%0.90885%0.848SS**  trans-155.3130.5137.5260000111.3
14D41.7Very low42.9Very low136 Ų136166.9 Ų166.973%0.72784%0.842SS**  trans-59.4155.3174.7-76.3-65.7000114.3
15L42.7Very low42.5Very low185 Ų185163.4 Ų163.497%0.96984%0.838SS**  -161.7133.4129.4-103.7136.3000112.1
16K41.7Very low42.2Very low173 Ų173160.8 Ų160.875%0.75283%0.834SS**  trans-109.3146.9-161.5-115.2175.3-175.5172.20109.1
17T42.2Very low41.3Very low131 Ų131163 Ų16380%0.80484%0.838SS**  trans63.4116.9150.314.50000120.4
18A41.6Very low41.1Very low105 Ų105163.2 Ų163.287%0.86884%0.835SS**  trans-155.3109.9139.200000110.9
19K43.6Very low40.2Very low206 Ų206163.7 Ų163.790%0.89683%0.831SS**  trans-75.5136.2165.6-71.5175.1173.2176.10109.1
20R40.3Very low40.2Very low252 Ų252162.7 Ų162.795%0.95183%0.831SS**  trans-151.6136151.7-137.3174176.9179.2-1.3111.7
21S37.7Very low39.8Very low105 Ų105161.8 Ų161.873%0.73483%0.825SS**  trans-114.5161.1-172.4-1750000110.7
22R38.1Very low39.7Very low230 Ų230163.4 Ų163.487%0.86883%0.83SS**  trans79.2119.1163.9-61.4178.8175.4168.7-2.7118
23R38Very low39.7Very low246 Ų246162.2 Ų162.293%0.92882%0.824SS**  -169.413691.7-98.3177177.8-177.9-1.2111.7
24V38Very low39.5Very low133 Ų133161.1 Ų161.181%0.80682%0.819SS**  trans-84.9136.3171.31710000108.3
25T43.3Very low39.2Very low135 Ų135161.2 Ų161.283%0.82883%0.825SS**  trans-130.5114.1161.437.40000108.9
26K40Very low38.8Very low191 Ų191155.8 Ų155.883%0.8381%0.813SS**  trans-73.6140.2163.8-72.1178.2173.9-179.60108.5
27L38.1Very low38.5Very low173 Ų173154.2 Ų154.291%0.90682%0.818SS**  trans-133.1121.3158.7-132.3125.2000107.8
28T36.8Very low38.1Very low102 Ų102154.8 Ų154.863%0.62682%0.816SS**  trans-88.9168.2-178.843.70000111.4
29D36.2Very low37.8Very low136 Ų136159 Ų15973%0.72782%0.815SS**  trans78.3112.5156.3-49.5-41.4000117.5
30K39.5Very low37.4Very low199 Ų199157.8 Ų157.887%0.86581%0.81SS**  -172.8125.888.3-87.5-178.6-169.5-1660111.4
31I36.1Very low37.1Very low152 Ų152150 Ų15078%0.77980%0.799SS**  trans-69.8132.5168.6-65.7163.4000108.5
32V38.4Very low37.1Very low137 Ų137152.2 Ų152.283%0.8380%0.803SS**  trans-132.5115.3160178.30000107.8
33N35.3Very low36.8Very low132 Ų132152 Ų15271%0.70680%0.803SS**PPolyproline II helixtrans-65.6147.4175.7-75.2-30.5000111.6
34P39.5Very low36.9Very low124 Ų124149.3 Ų149.381%0.80580%0.801SS**PPolyproline II helixtrans-78.3128.1169.631.4-29.8000110.4G36P34-G36 PolarHBondContact O-N 3.32Å
35V35.8Very low36.7Very low138 Ų138150 Ų15084%0.83680%0.801SS**PPolyproline II helixtrans-68.4120.8169.6172.30000108.7
36G33.7Very low36.3Very low71 Ų71148.7 Ų148.773%0.73280%0.797SS**PPolyproline II helixtrans-72.1138.6172.600000111.8P34P34-G36 PolarHBondContact O-N 3.32Å
37V36.9Very low36Very low140 Ų140146.6 Ų146.685%0.84880%0.795SS**  trans-125.396.9161.9-161.80000106.4
38N33.9Very low35.9Very low143 Ų143145.5 Ų145.577%0.76579%0.789SS**  trans-82.6136.2161.7-122-20.3000106.2
39F35.2Very low35.8Very low194 Ų194145.6 Ų145.685%0.85179%0.793SS**  trans-172.8117.3134.6-95.5-64000111.8
40K34.1Very low35.4Very low181 Ų181150.1 Ų150.179%0.78780%0.802SS**  trans61.4111.4143.3-91.9173.9169.4178.10120.4
41A34.1Very low35.1Very low87 Ų87146.1 Ų146.172%0.71980%0.799SS**  trans-69131.5150.500000110.4
42N37.4Very low34.8Very low152 Ų152145 Ų14581%0.81380%0.8SS**  trans-113.6111.9157-84-13.7000107.2
43Y33.4Very low34.7Very low225 Ų225146.7 Ų146.788%0.88280%0.803SS**  trans-73.1123.5159.1-97.4-101.4000107.5
44E39.2Very low34.7Very low190 Ų190145.8 Ų145.889%0.88881%0.807SS**  trans-129.8129.7155.3-95.8-174.9167.500109.7
45N33.6Very low34.6Very low148 Ų148145.6 Ų145.679%0.79181%0.806SS**  trans-59.5133.6178.6-76.5-34000111.6
46S35.9Very low34.5Very low107 Ų107142.9 Ų142.975%0.74881%0.806SS**  trans-135.493.6149.452.10000108.6I48S46-I48 PolarHBondContact O-N 3.47Å
47N32.9Very low34.6Very low147 Ų147145.5 Ų145.579%0.78681%0.807SS**  trans-52.9121158.6-74-32.4000109
48I36.3Very low34.6Very low151 Ų151145.3 Ų145.377%0.77481%0.806SS**  trans-138.7102.4145.4-72.8104.1000108.1S46S46-I48 PolarHBondContact O-N 3.47Å
49S34Very low34.6Very low104 Ų104143.8 Ų143.873%0.72781%0.805SS**  trans12.5124143.4-47.60000120
50Y28.7Very low34.9Very low230 Ų230139.6 Ų139.690%0.90280%0.799SS**  trans-67.9126.6155-66.1-92.5000109.9
51S32.6Very low34.8Very low115 Ų115138.5 Ų138.580%0.80480%0.802SS**  trans-115.8101.5159.8-82.40000109.3
52T30.1Very low35.1Very low130 Ų130141.7 Ų141.780%0.79881%0.806SS**  trans-68115.7159.942.70000109.7
53L36.2Very low35.4Very low171 Ų171140.4 Ų140.490%0.89581%0.806SS**  trans-133.6114.1157.4-85.2167000108.5
54S35.6Very low35.4Very low113 Ų113136.4 Ų136.479%0.7980%0.799SS**PPolyproline II helixtrans-59.4164.1179.3-64.50000113.6
55P37.3Very low35.5Very low120 Ų120135.6 Ų135.678%0.77979%0.793SS**PPolyproline II helixtrans-86.7133.8-160.633.8-30.4000112.5
56G34.2Very low35.9Very low81 Ų81134.6 Ų134.684%0.83580%0.795SS**PPolyproline II helixtrans-88.9117.7170.200000111
57V35.1Very low35.9Very low126 Ų126134 Ų13476%0.76479%0.791SS**PPolyproline II helixtrans-75.1130.5-179.6179.50000111
58T36.8Very low36.2Very low136 Ų136133.4 Ų133.483%0.83479%0.794SS**  trans-166.5109.2142.332.20000110.6
59P34.3Very low36.2Very low112 Ų112132 Ų13273%0.72779%0.793SS**  trans-90103.1159.331.3-22000107.9N61P59-N61 PolarHBondContact O-N 3.4Å
60S40.7Very low36.1Very low105 Ų105131.6 Ų131.673%0.73479%0.791SS**  trans-71.7114.8166.650.30000109L62S60-L62 PolarHBondContact O-N 3.48Å
61N33Very low36.4Very low159 Ų159128 Ų12885%0.8579%0.785SS**  trans-38.4118.4170.1-64.2-65.5000113.2P59P59-N61 PolarHBondContact O-N 3.4Å
62L39.6Very low36.4Very low154 Ų154129 Ų12981%0.80678%0.781SS**  trans-129.6118.1158.6-86.1166.8000107.9S60 L64S60-L62 PolarHBondContact O-N 3.48Å; L62-L64 PolarHBondContact O-N 3.05Å
63P43.7Very low36.7Very low125 Ų125128 Ų12881%0.81278%0.78SS**  trans-71.4117.3-177.827.7-30.5000110
64L34.6Very low36.8Very low141 Ų141125.5 Ų125.574%0.73877%0.774SS**  trans-64.9136.9160.9-91.296.2000109.9L62L62-L64 PolarHBondContact O-N 3.05Å
65F41.4Very low36.6Very low173 Ų173127.7 Ų127.776%0.75978%0.777SS**  trans74115.8166.7-60.1-73.1000118.7S67F65-S67 PolarHBondContact O-N 3.24Å
66P40.1Very low36.5Very low127 Ų127130.3 Ų130.383%0.82578%0.783SS**  trans-74.3118.3146.830.6-24.9000108.1
67S36.6Very low36.5Very low95 Ų95131.4 Ų131.466%0.66478%0.778SS**  trans-47.6146.4166.4-52.70000111.1F65 T69F65-S67 PolarHBondContact O-N 3.24Å; S67-T69 PolarHBondContact O-N 3.37Å
68P38.8Very low36.3Very low133 Ų133131.6 Ų131.686%0.86478%0.78SS**  trans-66.9105173.227.3-30.7000108.7S70P68-S70 PolarHBondContact O-N 3.3Å
69T36.3Very low36.2Very low121 Ų121130.5 Ų130.574%0.74278%0.777SS**  trans-60.6118.3172.1-44.30000108.4S67 I71S67-T69 PolarHBondContact O-N 3.37Å; T69-I71 WeakPolarHBondContact O-CG1 3.27Å; T69-I71 PolarHBondContact O-N 2.93Å
70S31.4Very low36Very low97 Ų97131.8 Ų131.868%0.67878%0.778SS**  trans-50.7104162.3157.70000109.7P68P68-S70 PolarHBondContact O-N 3.3Å
71I35.4Very low35.7Very low155 Ų155132.9 Ų132.980%0.79578%0.78SS**  trans-96.4105.2171-49.6-179.4000107.6T69T69-I71 WeakPolarHBondContact O-CG1 3.27Å; T69-I71 PolarHBondContact O-N 2.93Å
72N33.1Very low35.5Very low134 Ų134130 Ų13072%0.71777%0.773SS**PPolyproline II helixtrans-53.3141168.4-74.5-40.5000111.2
73S36Very low35.2Very low110 Ų110133.4 Ų133.477%0.76978%0.776SS**PPolyproline II helixtrans-52.3127.3170.3-52.90000110.9N75S73-N75 PolarHBondContact O-N 3.23Å
74P38.1Very low34.7Very low119 Ų119132.6 Ų132.677%0.77377%0.773SS**PPolyproline II helixtrans-72.8121.5172.427.9-29.4000109.4L76P74-L76 PolarHBondContact O-N 3.11Å
75N31.9Very low34.4Very low158 Ų158133.3 Ų133.385%0.84578%0.777SS**  trans-47113.1164.7-71.1-55.1000110.5S73 S77S73-N75 PolarHBondContact O-N 3.23Å; N75-S77 PolarHBondContact O-N 3.07Å
76L34.8Very low34Very low175 Ų175136.8 Ų136.892%0.91679%0.785SS**  trans-87.696.1158.6-76.3172.7000107.7P74 V78P74-L76 PolarHBondContact O-N 3.11Å; L76-V78 PolarHBondContact O-N 3.48Å
77S34.9Very low33.6Very low105 Ų105137.9 Ų137.973%0.73478%0.783SS**  trans-57.9126.1170.950.90000111.2N75 S79N75-S77 PolarHBondContact O-N 3.07Å; S77-S79 PolarHBondContact O-N 3.38Å
78V30.1Very low33.8Very low130 Ų130139.2 Ų139.279%0.78879%0.789SS**  trans-33.3120.8158.1-175.90000111.9L76L76-V78 PolarHBondContact O-N 3.48Å
79S35.5Very low33.5Very low112 Ų112139.8 Ų139.878%0.78379%0.785SS**  trans-131.7120.7152.259.10000109.8S77S77-S79 PolarHBondContact O-N 3.38Å
80N30.4Very low33.6Very low140 Ų140139.3 Ų139.375%0.74979%0.786SS**  trans-50.7124.2-179.1-63.5-36.8000113.2
81V34Very low33.7Very low128 Ų128142 Ų14278%0.77679%0.793SS**  trans-139.3104.5140.6-174.90000108.5Y83V81-Y83 HydrophobicContact CG1-CD2 4.24Å; V81-Y83 HydrophobicContact CG1-CE2 4.26Å
82S29Very low33.9Very low99 Ų99144.2 Ų144.269%0.69280%0.8SS**  trans-68.7127.8174.4-43.30000110.6
83Y32.7Very low34.3Very low225 Ų225144.1 Ų144.188%0.88281%0.805SS**  trans-140.8129.5148.4-87.9-76.2000111.2V81V81-Y83 HydrophobicContact CG1-CD2 4.24Å; V81-Y83 HydrophobicContact CG1-CE2 4.26Å
84S33.4Very low34.2Very low107 Ų107144.2 Ų144.275%0.74880%0.803SS**  trans-67.4144.4-164.4-71.30000116.2
85L28.3Very low34.3Very low157 Ų157145.4 Ų145.482%0.82281%0.807SS**  trans24.8125.9136.7-88.780.9000118.4
86R33.8Very low34.5Very low245 Ų245144.3 Ų144.393%0.92580%0.8SS**  -170.7112103.4-96.8174-159.6-179.16.5110.9
87I30.4Very low34.8Very low151 Ų151141.4 Ų141.477%0.77479%0.794SS**  trans-94137.6163.1-62.1168.8000107.1
88P41.2Very low34.7Very low122 Ų122144.4 Ų144.479%0.79280%0.797SS**  trans-106.4121.3150.518.4-0.8000110.6
89N32.2Very low35.5Very low145 Ų145144.4 Ų144.478%0.77580%0.799SS**  trans-63.5143.5169.6-75.4-31.7000112.4
90S39.1Very low35.7Very low111 Ų111148 Ų14878%0.77680%0.801SS**  trans-172.3100.7136.438.90000107.2
91N34.1Very low36Very low154 Ų154149.2 Ų149.282%0.82480%0.802SS**  56.691.495.5-77.2-0.3000113.7
92E39.7Very low36.1Very low202 Ų202151.1 Ų151.194%0.94481%0.806SS**  trans-164.9131.3137.4-108.7171.5-165.700111.6
93T39.9Very low36.4Very low132 Ų132150.8 Ų150.881%0.8180%0.803SS**  trans-89.1151.3-162.7-38.80000112.2
94P35.4Very low36.5Very low112 Ų112147.1 Ų147.173%0.72780%0.798SS**  trans-89.5141.2-17434.6-32.8000113
95V40.3Very low36.7Very low144 Ų144149 Ų14987%0.87380%0.795SS**  trans-105.1107.4171.7179.30000109.8
96I35.5Very low37.2Very low134 Ų134147.9 Ų147.969%0.68779%0.79SS**  trans-85133.4167-65.6166.5000108.1
97S41.6Very low37.2Very low114 Ų114141.9 Ų141.980%0.79779%0.785SS**  trans-124.1120.1162.754.30000110
98H32.7Very low37.3Very low169 Ų169139.8 Ų139.878%0.78278%0.781SS**  trans-108.1146.6164.5-71.6-72.2000108.3
99P45.9Very low37.3Very low130 Ų130143.7 Ų143.784%0.84479%0.789SS**  trans-104.3144.8155.226.3-11.9000112.2
100K40.9Very low37.3Very low188 Ų188144.4 Ų144.482%0.81779%0.792SS**  trans-90.1148.4-171.1-83.3174.6178.3175.60113.1
101H34.8Very low37.1Very low165 Ų165144.1 Ų144.176%0.76479%0.785SS**  trans64.9128.5140-82.7-88.8000122.6
102L37.8Very low37Very low167 Ų167147.3 Ų147.387%0.87479%0.787SS**  176.3107.1117.8-88.5159.1000107.4
103C34Very low36.8Very low93 Ų93147.1 Ų147.163%0.62879%0.786SS**  106.7117.264.5-138.10000113
104L35.4Very low36.5Very low147 Ų147151.8 Ų151.877%0.7779%0.791SS**  trans65144.4145.7-63.2163000119
105Q38.2Very low36.2Very low147 Ų147156.8 Ų156.869%0.68780%0.795SS**  cis-169.9154.920-131.9-175.69.900111.4
106N38.1Very low35.9Very low133 Ų133154.8 Ų154.871%0.71179%0.788SS**  trans79.6103.2149.6-53.5-27.2000122.3
107S34.5Very low35.8Very low119 Ų119155.6 Ų155.683%0.83279%0.788SS**  152.4142101.8-1630000112.4
108P33.1Very low35.4Very low107 Ų107156.7 Ų156.770%0.69579%0.79SS**  trans-100.8139.4-162.236.6-27.1000113.2
109H39.5Very low35.6Very low204 Ų204154 Ų15494%0.94479%0.785SS**  trans-152.7131.6143.2-101.6-58.1000110.6
110L33.9Very low35.1Very low161 Ų161152.9 Ų152.984%0.84378%0.778SS**  trans-91.3151.5-167.5-125151.8000109.7
111V33.2Very low34.8Very low104 Ų104150.4 Ų150.463%0.6378%0.779SS**  trans125.8121.9139.9-177.70000117.2
112Y32.4Very low34.8Very low221 Ų221148 Ų14887%0.86778%0.775SS**  trans77.581165.6-65.3-56.4000120.5
113Q35.9Very low34.7Very low198 Ų198151.1 Ų151.193%0.92578%0.776SS**  trans-94.8113.5150.5-90.3-176.5-18.900110.2R115Q113-R115 PolarHBondContact O-N 3.32Å
114Y32.5Very low35Very low230 Ų230152.6 Ų152.690%0.90278%0.782SS**  trans-76.3111.8169.2-142.5-96.8000108.9S116Y114-S116 PolarHBondContact O-N 2.73Å
115R29.6Very low35Very low217 Ų217152.6 Ų152.682%0.81978%0.782SS**  trans-8197.1179.8-170.3-178.6-173-162.72.4108.8Q113Q113-R115 PolarHBondContact O-N 3.32Å
116S34.2Very low35.2Very low103 Ų103151.7 Ų151.772%0.7279%0.789SS**  trans-100.1119.6163.8-176.60000108.9Y114 V118Y114-S116 PolarHBondContact O-N 2.73Å; S116-V118 PolarHBondContact O-N 3.42Å
117Q32.8Very low35.2Very low150 Ų150151.4 Ų151.470%0.70179%0.793SS**  trans-79.1117.1-175.7-55.3-15542.400109.9
118V34.7Very low35.3Very low137 Ų137153.6 Ų153.683%0.8379%0.79SS**  trans-100.9102.1164.5-179.30000106.9S116S116-V118 PolarHBondContact O-N 3.42Å
119T37.1Very low35.3Very low112 Ų112154.1 Ų154.169%0.68780%0.795SS**  trans-67.1131173.4-39.90000109.4V121T119-V121 PolarHBondContact O-N 3.4Å
120P34.2Very low35.1Very low107 Ų107150.7 Ų150.770%0.69578%0.779SS**  trans-72.8116.8173.128.2-30.8000109.6V122P120-V122 PolarHBondContact O-N 2.82Å; P120-V122 VanDerWaalsContact O-N 3.11Å
121V35.9Very low35.1Very low136 Ų136148.7 Ų148.782%0.82477%0.774SS**  trans-71.8103.6167177.30000107.7T119 R123T119-V121 PolarHBondContact O-N 3.4Å; V121-R123 PolarHBondContact O-N 3.39Å
122V34.5Very low35.2Very low115 Ų115153.7 Ų153.770%0.69778%0.781SS**  trans-59.9113.7167.7174.20000107.9P120 T124P120-V122 PolarHBondContact O-N 2.82Å; P120-V122 VanDerWaalsContact O-N 3.11Å; V122-T124 HydrophobicContact CG1-CG2 4.47Å; V122-T124 PolarHBondContact O-N 3.34Å
123R35.3Very low35.4Very low233 Ų233150.6 Ų150.688%0.87978%0.778SS**  trans-70.1104.3168.9-73.9-176.9171.9172.6-2.6108.4V121V121-R123 PolarHBondContact O-N 3.39Å
124T39.7Very low35Very low124 Ų124146.4 Ų146.476%0.76177%0.771SS**  trans-82.9119.8161460000108.3V122V122-T124 HydrophobicContact CG1-CG2 4.47Å; V122-T124 PolarHBondContact O-N 3.34Å
125N35.1Very low35.3Very low146 Ų146141.3 Ų141.378%0.78176%0.764SS**  trans-63132.9171.5-70.3-43.4000109.3T127N125-T127 PolarHBondContact O-N 3.05Å
126P42.4Very low35.5Very low128 Ų128142.1 Ų142.183%0.83177%0.767SS**  trans-74.2113.9165.728.3-28.9000108.9E128P126-E128 PolarHBondContact O-N 3.2Å
127T38.9Very low35.4Very low128 Ų128141.7 Ų141.779%0.78576%0.764SS**  trans-63.3128.7169.5-42.30000109.5N125 C129N125-T127 PolarHBondContact O-N 3.05Å; T127-C129 PolarHBondContact O-N 2.58Å; T127-C129 VanDerWaalsContact O-N 3.16Å
128E36.3Very low35.6Very low164 Ų164140.1 Ų140.177%0.76677%0.765SS**  trans-65.9100.1177.8-166.1179.2-175.300110.5P126 Q130P126-E128 PolarHBondContact O-N 3.2Å; E128-Q130 PolarHBondContact O-N 2.85Å
129C33.4Very low35.5Very low119 Ų119140.3 Ų140.380%0.80476%0.761SS**  trans-89.293.8166.9-73.80000109.2T127 T131T127-C129 PolarHBondContact O-N 2.58Å; T127-C129 VanDerWaalsContact O-N 3.16Å; C129-T131 PolarHBondContact O-N 2.91Å
130Q36.1Very low35.5Very low131 Ų131140.3 Ų140.361%0.61277%0.765SS**  trans-78.892.4175.6-162.9176.489.600109.5E128 R132E128-Q130 PolarHBondContact O-N 2.85Å; Q130-R132 PolarHBondContact O-N 3.38Å; Q130-R132 VanDerWaalsContact O-N 3.16Å
131T33.8Very low35.5Very low119 Ų119142.3 Ų142.373%0.7377%0.77SS**  trans-77.697.6170.8-510000109.3C129 I133C129-T131 PolarHBondContact O-N 2.91Å; T131-I133 HydrophobicContact CG2-CD1 4.33Å; T131-I133 HydrophobicContact CG2-CG1 4.08Å
132R33.4Very low35.6Very low210 Ų210143 Ų14379%0.79277%0.768SS**  trans-79.5112.9164.2-75.4-179.4173.9-177.3-3.4108.7Q130Q130-R132 PolarHBondContact O-N 3.38Å; Q130-R132 VanDerWaalsContact O-N 3.16Å
133I36.7Very low35.7Very low155 Ų155144.2 Ų144.280%0.79577%0.77SS**  trans-111.1111.9157.8-57.5174.4000106.2T131T131-I133 HydrophobicContact CG2-CD1 4.33Å; T131-I133 HydrophobicContact CG2-CG1 4.08Å
134S29.2Very low35.6Very low111 Ų111140.4 Ų140.478%0.77676%0.762SS**  trans-130.4106.2175.1164.90000107.2
135T38.6Very low35.6Very low123 Ų123140.8 Ų140.876%0.75576%0.76SS**  trans-150102.315847.80000107.8
136R33Very low35.5Very low234 Ų234141.3 Ų141.388%0.88376%0.757SS**  68.5107.7114.8-97.6-173162-179.5-5.3116
137S33.4Very low35.1Very low93 Ų93145.4 Ų145.465%0.6576%0.763SS**  28.6127.6119.955.60000116.8
138T36.3Very low34.8Very low118 Ų118145.8 Ų145.872%0.72476%0.759SS**  cis-171.8151.247.8280000109.8
139D33Very low34.8Very low141 Ų141146 Ų14675%0.75476%0.764SS**  trans53.3132.7139.5-57.6-26.9000124
140S37.2Very low34.8Very low111 Ų111148.6 Ų148.678%0.77676%0.764SS**  trans67.2112.6145.961.10000118.2
141L34.1Very low34.8Very low150 Ų150151.8 Ų151.879%0.78578%0.779SS**  82.3113.873.4-156.8139.9000111.7
142L37.5Very low34.8Very low149 Ų149155 Ų15578%0.7879%0.786SS**  trans69.3118.8167.7-62169.1000117.5
143D35.4Very low34.8Very low141 Ų141151.6 Ų151.675%0.75478%0.782SS**  150.8154.290.9-150.14.5000111.3
144E35Very low34.5Very low153 Ų153149.6 Ų149.672%0.71578%0.779SS**  trans-49.9143.3-178.9-59.1-179152.400114.3
145N39.1Very low34.5Very low133 Ų133149.4 Ų149.471%0.71178%0.778SS**  164125.2115.9-84.7-57.1000112.5
146H33Very low34.2Very low156 Ų156149.5 Ų149.572%0.72278%0.778SS**  trans2.7127.1147.7-67.7-89.2000118.1
147F33.3Very low34Very low215 Ų215143.9 Ų143.994%0.94378%0.775SS**  -150.9116.1125.6-93.9-72.9000110.5
148L32Very low33.9Very low136 Ų136147.3 Ų147.371%0.71278%0.784SS**  trans-63.4135.3163.1-85.7135.6000110E150L148-E150 HydrophobicContact CD2-CG 4.41Å
149I37.5Very low33.5Very low169 Ų169146.8 Ų146.887%0.86778%0.784SS**  trans-134.6109.9142.9-61.1-177.7000106.6
150E32.9Very low33.4Very low172 Ų172144.4 Ų144.480%0.80478%0.784SS**  trans-66.1134.9166-69.7175.113500109.6L148L148-E150 HydrophobicContact CD2-CG 4.41Å
151E36.8Very low33.2Very low199 Ų199147.6 Ų147.693%0.9378%0.784SS**  trans-144.5144145.5-150.2177.7-177.200109.5
152E34.3Very low33.1Very low187 Ų187147.7 Ų147.787%0.87479%0.785SS**  trans-95.1152.2-141.6-167177.4168.400113
153I32.1Very low32.7Very low137 Ų137145.9 Ų145.970%0.70379%0.785SS**  trans-73.5154.8-170.2-61.9159.4000111.7
154P31.1Very low32.4Very low114 Ų114146.7 Ų146.774%0.7479%0.788SS**  -129.2125.2116.433.6-24.3000112.7T156P154-T156 PolarHBondContact O-N 2.77Å; P154-T156 VanDerWaalsContact O-N 3.12Å
155S29.2Very low32.2Very low107 Ų107148.7 Ų148.775%0.74880%0.797SS**  trans-71.793.8-178.230.60000109.3S157S155-S157 PolarHBondContact O-N 2.92Å
156T32.8Very low31.9Very low124 Ų124150.5 Ų150.576%0.76181%0.806SS**  trans-92.892.5169.339.30000109.5P154 I158P154-T156 PolarHBondContact O-N 2.77Å; P154-T156 VanDerWaalsContact O-N 3.12Å; T156-I158 PolarHBondContact O-N 2.88Å
157S27.1Very low31.6Very low116 Ų116151.1 Ų151.181%0.81181%0.814SS**  trans-64.8106.916755.20000109.7S155 C159S155-S157 PolarHBondContact O-N 2.92Å; S157-C159 PolarHBondContact O-N 2.94Å
158I31.9Very low31.5Very low165 Ų165150.5 Ų150.585%0.84681%0.812SS**  trans-89.2104.7168-63.3177000107.3T156 A160T156-I158 PolarHBondContact O-N 2.88Å; I158-A160 PolarHBondContact O-N 2.58Å
159C27.4Very low31.4Very low108 Ų108151 Ų15173%0.7382%0.819SS**  trans-54.5108.6-176.5-163.50000112.3S157 K161S157-C159 PolarHBondContact O-N 2.94Å; C159-K161 VanDerWaalsContact C-N 3.35Å; C159-K161 PolarHBondContact O-N 2.82Å; C159-K161 VanDerWaalsContact O-N 3.1Å
160A32.9Very low31Very low90 Ų90151.1 Ų151.174%0.74482%0.822SS**  trans-73.692.616000000108.4I158I158-A160 PolarHBondContact O-N 2.58Å
161K32.6Very low30.7Very low178 Ų178145.7 Ų145.777%0.77481%0.812SS**  trans-61.8142.1163.9-120.6157.8175.4171.10108.5C159C159-K161 VanDerWaalsContact C-N 3.35Å; C159-K161 PolarHBondContact O-N 2.82Å; C159-K161 VanDerWaalsContact O-N 3.1Å
162D31.2Very low30.4Very low153 Ų153145.2 Ų145.282%0.81881%0.809SS**  trans92.435.4167.9-49.4-18000118.3
163S30.1Very low30.3Very low110 Ų110144.9 Ų144.977%0.76981%0.813SS**  trans-116.340.8163-65.50000113
164L29Very low30.2Very low158 Ų158144.2 Ų144.283%0.82782%0.82SS**  trans-154.586173.7-76.1175.2000108.4
165H30.5Very low30.1Very low195 Ų195141.3 Ų141.390%0.90381%0.811SS**SBendtrans-171.669.7158.2-98.731.6000108.1
166L31.7Very low30.5Very low172 Ų172145.5 Ų145.590%0.90182%0.819SS**SBendtrans-175.954.5160-98.3165.1000108.8
167N28.2Very low30.2Very low168 Ų168146.4 Ų146.490%0.89882%0.819SS**  trans-153.862170.1-94.1-24.5000107.9
168K29.9Very low30.7Very low203 Ų203148.5 Ų148.588%0.88382%0.821SS**  trans-165.357.7174.9-125.9171.7-175.6-179.90113.7
169V30.6Very low30.9Very low145 Ų145146.6 Ų146.688%0.87981%0.811SS**  trans-142.663.9148.7-168.40000107.7
170N28.3Very low31.1Very low173 Ų173147.8 Ų147.893%0.92581%0.81SS**  trans-124.7112.4161.3-100.2-5000105.4
171G27.9Very low31.2Very low57 Ų57149.6 Ų149.659%0.58881%0.811SS**  trans136122.2176.800000111.9
172H30.1Very low31.3Very low189 Ų189150.8 Ų150.888%0.87581%0.811SS**SBendtrans78.885.4-173.8-44-69.7000112.1
173L33.1Very low31.3Very low180 Ų180153.6 Ų153.694%0.94281%0.812SS**  -144.5104.770.3-75160000110.5
174S30.1Very low31.5Very low123 Ų123155.7 Ų155.786%0.8681%0.813SS**  trans-71.8133.4159.4173.60000108.7
175G29Very low31.6Very low54 Ų54153.3 Ų153.356%0.55781%0.81SS**  trans88.588.7152.700000117.1
176Q35.6Very low31.6Very low195 Ų195153.7 Ų153.791%0.91180%0.803SS**  -165.1116.3121.2-114.5113.945.800111.5
177N28.1Very low31.6Very low143 Ų143150.4 Ų150.477%0.76580%0.795SS**  trans-64.9141.5159.1-116.8-43.6000109.8
178L37.1Very low32Very low160 Ų160152.6 Ų152.684%0.83879%0.791SS**  trans-169.183.3148.1-99.2155.1000105.5
179I36.5Very low32.1Very low125 Ų125150.1 Ų150.164%0.64179%0.787SS**  59.9115.994-63173.4000112.8
180D30.2Very low32.4Very low132 Ų132149.7 Ų149.771%0.70679%0.785SS**  trans38.1116.9150.1-81.4-42.2000119.5
181V36.5Very low32.7Very low129 Ų129146.2 Ų146.278%0.78277%0.774SS**  -153.298.4113-175.70000110.3
182R34.4Very low33Very low203 Ų203155.1 Ų155.177%0.76679%0.79SS**  34.6117128.5-61.9-179.9-93.1-169-5.9119.7
183Y29.7Very low33.4Very low212 Ų212154.1 Ų154.183%0.83179%0.79SS**  trans34.5112.1131.3-74.5-93.9000118.9
184L35.3Very low33.4Very low153 Ų153150.3 Ų150.380%0.80178%0.779SS**  -15793.7129.4-14077.6000112.1R186L184-R186 HydrophobicContact CD2-CG 4.46Å; L184-R186 PolarHBondContact O-N 3.06Å
185S30Very low33.8Very low109 Ų109150.6 Ų150.676%0.76278%0.777SS**  trans-65109.6159.1-28.30000108.4
186R32.2Very low34.3Very low202 Ų202154.1 Ų154.176%0.76279%0.788SS**  trans-116.891.4161.3-99.1-171.7175.8-148.4-0.1109.5L184 R188L184-R186 HydrophobicContact CD2-CG 4.46Å; L184-R186 PolarHBondContact O-N 3.06Å; R186-R188 PolarHBondContact O-N 2.83Å
187S31.2Very low34.3Very low103 Ų103149.8 Ų149.872%0.7278%0.779SS**  trans-67.7111.4156.8420000109
188R35.5Very low34.7Very low214 Ų214148 Ų14881%0.80878%0.778SS**  trans-99.2100160.5-101.7-176.1176.3172.2-1.3108R186 T190R186-R188 PolarHBondContact O-N 2.83Å; R188-T190 PolarHBondContact O-N 3.18Å
189N33.1Very low34.7Very low152 Ų152146.9 Ų146.981%0.81378%0.778SS**  trans-61.3114.2161.3-68.2-23.6000108.4
190T36Very low34.7Very low136 Ų136145 Ų14583%0.83478%0.775SS**  trans-969016148.30000107.7R188 R192R188-T190 PolarHBondContact O-N 3.18Å; T190-R192 PolarHBondContact O-N 3.27Å
191S35.5Very low35.2Very low100 Ų100147.5 Ų147.570%0.69978%0.78SS**  trans-67.1130.8167.869.90000109.2L193S191-L193 PolarHBondContact O-N 2.91Å
192R33.8Very low35.2Very low244 Ų244152.5 Ų152.592%0.92179%0.785SS**  trans-39.5121.5165.9-64171.7168.7-171.7-4.9111.6T190T190-R192 PolarHBondContact O-N 3.27Å
193L38.2Very low35.5Very low168 Ų168154 Ų15488%0.8879%0.792SS**  trans-121.1117.2155.2-75.1174.3000108.6S191S191-L193 PolarHBondContact O-N 2.91Å
194S33.6Very low36.2Very low100 Ų100150.1 Ų150.170%0.69979%0.786SS**  trans-62.8142.8169.5-175.10000109.8V196S194-V196 PolarHBondContact O-N 3.21Å
195P38.6Very low36.5Very low128 Ų128149 Ų14983%0.83178%0.781SS**  trans-85.5111.3176.732.3-27.3000109.3
196V39Very low37.3Very low129 Ų129148.6 Ų148.678%0.78278%0.778SS**  trans-122.2122.6164.61790000109.2S194S194-V196 PolarHBondContact O-N 3.21Å
197S34.9Very low38.2Very low103 Ų103145.4 Ų145.472%0.7278%0.776SS**  trans-47.2136.5172.1175.80000115.1
198S38.4Very low39.1Very low106 Ų106146.4 Ų146.474%0.74177%0.773SS**  trans179.994.514742.90000107.5
199V35.5Very low39.8Very low137 Ų137142.6 Ų142.683%0.8377%0.769SS**  34.5113.794.7-175.20000113
200S37.4Very low40.6Very low85 Ų85144.5 Ų144.559%0.59477%0.77SS**  trans173.6124.8135.1171.20000114.1
201K40.5Very low40.9Very low185 Ų185144.1 Ų144.180%0.80477%0.771SS**  trans68.2104.9144.6-64.5169.5-164.3-179.30118.1
202R36.7Very low41.2Very low234 Ų234146.6 Ų146.688%0.88378%0.777SS**  60.5109.383.2-69.8-156.2-165.9-163.25.7114.9
203Y40.7Very low41.7Very low233 Ų233140.8 Ų140.891%0.91477%0.768SS**  trans-150.4100.8141.9-87.6-81.2000104.3
204D44.8Very low41.8Very low131 Ų131143.6 Ų143.670%0.70177%0.767SS**  67.2119.678.7-113.717.9000115.8
205N42Very low42.5Very low131 Ų131146.6 Ų146.670%0.70177%0.774SS**  trans79.1106157.9-53.5-28000117.7
206S46.9Very low42.8Very low100 Ų100149.7 Ų149.770%0.69978%0.775SS**  97126.59666.70000107.7
207D49.3Very low42.7Very low135 Ų135151.1 Ų151.172%0.72278%0.778SS**  cis-167.416447.7-103.6-40.8000110
208D50.1Low43.4Very low124 Ų124155 Ų15566%0.66378%0.782SS**  trans76.491.2147.2-68.1-32.8000121.5
209N51.8Low43.8Very low134 Ų134156.6 Ų156.672%0.71778%0.782SS**  75.7122.4110.2-79.8-44.6000120.7
210K49Very low44.2Very low191 Ų191159.6 Ų159.683%0.8378%0.784SS**  trans69.599.2148.9-72.3-178.9173.8-179.40117.2
211C42.9Very low44.5Very low128 Ų128161.1 Ų161.187%0.86579%0.79SS**  -163.496.4117.5-98.80000109.6V213C211-V213 PolarHBondContact O-N 3.01Å
212D40.2Very low44.7Very low152 Ų152160 Ų16081%0.81379%0.789SS**  trans-59.6113.1163.7-93.5-45.4000109.8
213V44.4Very low45.2Very low123 Ų123155.4 Ų155.475%0.74578%0.781SS**  trans-123.494.5154.5-179.30000107.9C211 L215C211-V213 PolarHBondContact O-N 3.01Å; V213-L215 HydrophobicContact CG1-CD1 4.43Å; V213-L215 PolarHBondContact O-N 3.12Å
214R42Very low45.6Very low226 Ų226149.4 Ų149.485%0.85377%0.768SS**  trans-62.7110.2167.3-68.9175.3166.7-171-4.8109.1
215L46.6Very low45.4Very low163 Ų163153.8 Ų153.885%0.85378%0.776SS**  trans-125.5122.6158.3-106.4147.7000109.5V213V213-L215 HydrophobicContact CG1-CD1 4.43Å; V213-L215 PolarHBondContact O-N 3.12Å
216K45.6Very low45.8Very low194 Ų194156.7 Ų156.784%0.84378%0.783SS**  trans-70.2140.8-157.4-68.5-169.7170.7-175.80113.1K218K216-K218 PolarHBondContact O-N 2.74Å
217N37.9Very low46.2Very low158 Ų158160.5 Ų160.585%0.84579%0.789SS**  trans-39.8122.3157.8-77.1-34.7000112.4
218K48.3Very low46.4Very low184 Ų184159.3 Ų159.380%0.879%0.789SS**  trans-140.2118.2146.5-70.3-168.6177.9179.30109.3K216K216-K218 PolarHBondContact O-N 2.74Å
219D46.4Very low46.8Very low140 Ų140159 Ų15975%0.74979%0.794SS**  trans70.579.5152.4-48.4-27.3000118.3V221D219-V221 VanDerWaalsContact C-N 3.26Å; D219-V221 HydrophobicContact CB-CG2 4.46Å; D219-V221 PolarHBondContact O-N 2.91Å
220K45.2Very low47.2Very low201 Ų201162.5 Ų162.587%0.87480%0.803SS**  trans-63.788.5149.8-71.7179179-179.80108.9M222K220-M222 PolarHBondContact O-N 3.23Å; K220-M222 VanDerWaalsContact O-N 3.13Å
221V44Very low47.2Very low117 Ų117165 Ų16571%0.70981%0.807SS**  trans-75.599164.8-179.10000107.8D219 I223D219-V221 VanDerWaalsContact C-N 3.26Å; D219-V221 HydrophobicContact CB-CG2 4.46Å; D219-V221 PolarHBondContact O-N 2.91Å; V221-I223 PolarHBondContact O-N 3.34Å
222M43.9Very low47.6Very low160 Ų160169.9 Ų169.979%0.78881%0.807SS**  trans-54.3101161-83.6-94.6-58.200109K220 V224K220-M222 PolarHBondContact O-N 3.23Å; K220-M222 VanDerWaalsContact O-N 3.13Å; M222-V224 PolarHBondContact O-N 3.25Å
223I46.7Very low48.1Very low139 Ų139173 Ų17371%0.71381%0.813SS**  trans-72.697.7168.3-60.3174.5000106.7V221 Y225V221-I223 PolarHBondContact O-N 3.34Å; I223-Y225 PolarHBondContact O-N 3.19Å; I223-Y225 VanDerWaalsContact O-N 3.1Å
224V48.6Very low48.1Very low107 Ų107171.5 Ų171.565%0.64881%0.808SS**  trans-59.2109.1165.7175.10000107.2M222 K226M222-V224 PolarHBondContact O-N 3.25Å; V224-K226 VanDerWaalsContact C-N 3.34Å; V224-K226 PolarHBondContact O-N 3.07Å
225Y40.5Very low48.2Very low223 Ų223167 Ų16788%0.87580%0.8SS**  trans-62.696.3169.6-81.2-89.1000108.4I223 E227I223-Y225 PolarHBondContact O-N 3.19Å; I223-Y225 VanDerWaalsContact O-N 3.1Å; Y225-E227 PolarHBondContact O-N 2.93Å
226K51.4Low48.5Very low191 Ų191167.4 Ų167.483%0.8380%0.803SS**  trans-73.1116160.1-76.4-155.1176.1-168.50107.5V224V224-K226 VanDerWaalsContact C-N 3.34Å; V224-K226 PolarHBondContact O-N 3.07Å
227E54.3Low48.6Very low180 Ų180166.1 Ų166.184%0.84180%0.8SS**  trans-44.7124.2172.1-147178.6-167.900109.4Y225Y225-E227 PolarHBondContact O-N 2.93Å
228P54.4Low49.1Very low110 Ų110165.8 Ų165.871%0.71480%0.797SS**  trans-63.5136-17822.9-30.2000109.5K230P228-K230 PolarHBondContact O-N 3.5Å
229P58.4Low49.1Very low117 Ų117163.7 Ų163.776%0.7679%0.793SS**  trans-55130.1-178.5-22.730.9000111R231P229-R231 PolarHBondContact O-N 3.25Å
230K61Low49.3Very low209 Ų209165.1 Ų165.191%0.90980%0.796SS**  trans-46.6100.6174.8-77.7175.1178.5170.40109.9P228 R232P228-K230 PolarHBondContact O-N 3.5Å; K230-R232 PolarHBondContact O-N 3.21Å
231R47.8Very low49.6Very low244 Ų244161.4 Ų161.492%0.92179%0.792SS**  trans-66.1121173.6-68.2-176.684.21784.7107.6P229 K233P229-R231 PolarHBondContact O-N 3.25Å; R231-K233 PolarHBondContact O-N 3.48Å
232R52.4Low49.8Very low230 Ų230159.5 Ų159.587%0.86878%0.784SS**  trans-51.6131.9178.2-74.316678.9166.72.4109.6K230 S234K230-R232 PolarHBondContact O-N 3.21Å; R232-S234 PolarHBondContact O-N 3.23Å; R232-S234 VanDerWaalsContact O-N 3.15Å
233K50.2Low50.5Low217 Ų217159.1 Ų159.194%0.94378%0.784SS**  trans-65.2104.7166.2-63.1178.5179.1-178.60107.4R231R231-K233 PolarHBondContact O-N 3.48Å
234S43.5Very low50.9Low91 Ų91159 Ų15964%0.63678%0.779SS**  trans-159104.1168.557.40000110.5R232R232-S234 PolarHBondContact O-N 3.23Å; R232-S234 VanDerWaalsContact O-N 3.15Å
235I45.8Very low50.5Low132 Ų132157 Ų15768%0.67778%0.781SS**  trans160.359.9138.9-79.9154000106.3L238I235-L238 HydrophobicContact CG2-CD1 3.96Å; I235-L238 HydrophobicContact CG2-CG 4.16Å
236D52.3Low51.3Low171 Ų171154.3 Ų154.391%0.91478%0.781SS**SBendtrans-11326.3160.7-85.4-27.6000109.3
237Q47.5Very low51.4Low168 Ų168150.8 Ų150.879%0.78578%0.777SS**  trans-130.728177.9-65.7-170.128.200112.7I239Q237-I239 PolarHBondContact O-N 3Å
238L48.2Very low51Low150 Ų150147.6 Ų147.679%0.78577%0.766SS**  trans-73.283.1158.6-73.2173.9000107.1I235 E240I235-L238 HydrophobicContact CG2-CD1 3.96Å; I235-L238 HydrophobicContact CG2-CG 4.16Å; L238-E240 PolarHBondContact O-N 3.37Å
239I48Very low51.3Low141 Ų141148.4 Ų148.472%0.72377%0.771SS**  trans-52.5106.3163.4-67163.3000105.4Q237Q237-I239 PolarHBondContact O-N 3Å
240E51.4Low51.1Low170 Ų170151.5 Ų151.579%0.79478%0.776SS**  trans-54.3131.3164.3-76.8-173.1158.500107.4L238 S242L238-E240 PolarHBondContact O-N 3.37Å; E240-S242 PolarHBondContact O-N 2.91Å
241P51.8Low50.5Low122 Ų122147.2 Ų147.279%0.79276%0.762SS**  trans-63.6105171.226.2-30000107I243P241-I243 PolarHBondContact O-N 3.18Å; P241-I243 VanDerWaalsContact O-N 3.09Å
242S46.6Very low50.4Low78 Ų78140.8 Ų140.855%0.54575%0.754SS.*  trans-54.7117.6173.6177.90000108.4E240 H244E240-S242 PolarHBondContact O-N 2.91Å; S242-H244 VanDerWaalsContact CB-O 3.26Å; S242-H244 WeakPolarHBondContact CB-O 3.21Å; S242-H244 CarbonylContact O-C 3.51Å; S242-H244 PolarHBondContact O-N 2.97Å; S242-H244 PolarHBondContact OG-N 3.32Å; S242-H244 PolarHBondContact OG-O 2.91Å
243I60.3Low50.4Low152 Ų152134.8 Ų134.878%0.77975%0.747SS**SBendtrans-58.7-5171.149168.4000113.4P241P241-I243 PolarHBondContact O-N 3.18Å; P241-I243 VanDerWaalsContact O-N 3.09Å
244H54.8Low50.6Low135 Ų135133.1 Ų133.163%0.62574%0.74SS**SBendtrans-118.3113170.1-51.8-47.9000105.7S242S242-H244 VanDerWaalsContact CB-O 3.26Å; S242-H244 WeakPolarHBondContact CB-O 3.21Å; S242-H244 CarbonylContact O-C 3.51Å; S242-H244 PolarHBondContact O-N 2.97Å; S242-H244 PolarHBondContact OG-N 3.32Å; S242-H244 PolarHBondContact OG-O 2.91Å
245G40.9Very low50.9Low67 Ų67134.7 Ų134.769%0.69175%0.748SS**  trans-43.2150-175.100000113.5
246L56.9Low51Low166 Ų166139.5 Ų139.587%0.86976%0.758SS**  trans-42.3124.7178.7-74.2161.7000110.2D248L246-D248 PolarHBondContact O-N 3.25Å
247P53.8Low50.6Low116 Ų116137.8 Ų137.875%0.75375%0.754SS**  trans-65.8129.4176.226.8-30.7000108.2
248D45.4Very low50.4Low113 Ų113141.3 Ų141.360%0.60476%0.76SS**  trans-47.9127.6176.1-107.5-34000110.6L246 E250 I251L246-D248 PolarHBondContact O-N 3.25Å; D248-E250 PolarHBondContact O-N 3.13Å; D248-E250 VanDerWaalsContact O-N 3.08Å; D248-I251 HydrophobicContact CB-CD1 3.68Å; D248-I251 HydrophobicContact CB-CG1 3.72Å; D248-I251 PolarHBondContact O-N 2.77Å
249P60.2Low50.2Low127 Ų127143.4 Ų143.483%0.82576%0.763SS**THydrogen-bonded Turntrans-66.4-9.9-17825.5-32.4000113.6
250E54.5Low49.9Very low182 Ų182142.5 Ų142.585%0.8577%0.766SS**THydrogen-bonded Turntrans-89.9-12.5179.6-63-169.3169.200113.7D248 S252D248-E250 PolarHBondContact O-N 3.13Å; D248-E250 VanDerWaalsContact O-N 3.08Å; E250-S252 PolarHBondContact O-N 3.41Å; E250-S252 VanDerWaalsContact O-N 3.12Å
251I48.8Very low49.3Very low119 Ų119139.9 Ų139.961%0.6176%0.762SS**  trans-93.575.5-178.2-34.1171.6000109.5D248 S253D248-I251 HydrophobicContact CB-CD1 3.68Å; D248-I251 HydrophobicContact CB-CG1 3.72Å; D248-I251 PolarHBondContact O-N 2.77Å; I251-S253 PolarHBondContact O-N 3.16Å
252S44.5Very low48.9Very low110 Ų110142.2 Ų142.277%0.76976%0.762SS**  trans-60.476.4163.1160.40000109.9E250 K254E250-S252 PolarHBondContact O-N 3.41Å; E250-S252 VanDerWaalsContact O-N 3.12Å; S252-K254 PolarHBondContact O-N 2.83Å
253S53.5Low48.7Very low103 Ų103147.7 Ų147.772%0.7278%0.776SS**  trans-84.8105.2173.966.30000109.3I251I251-S253 PolarHBondContact O-N 3.16Å
254K53.4Low47.7Very low183 Ų183147.2 Ų147.280%0.79677%0.774SS**  trans-49.9139.1172.7-68.9177.3177.6176.60109.9S252 R256S252-K254 PolarHBondContact O-N 2.83Å; K254-R256 PolarHBondContact O-N 2.99Å
255P50.2Low47Very low124 Ų124149.3 Ų149.381%0.80579%0.785SS**  trans-57.5117.617722.4-31.2000109.8T257P255-T257 PolarHBondContact O-N 3Å; P255-T257 VanDerWaalsContact O-N 3.11Å
256R47.4Very low47Very low233 Ų233153.4 Ų153.488%0.87979%0.79SS**  trans-65.2110.2177.5-173.7173.6-176.9152.6-0.2108.9K254 R258K254-R256 PolarHBondContact O-N 2.99Å; R256-R258 PolarHBondContact O-N 3.12Å
257T44Very low46Very low135 Ų135152.5 Ų152.583%0.82879%0.786SS**  trans-57109.1171.743.10000110.2P255P255-T257 PolarHBondContact O-N 3Å; P255-T257 VanDerWaalsContact O-N 3.11Å
258R43.4Very low45.5Very low241 Ų241151.8 Ų151.891%0.90979%0.789SS**PPolyproline II helixtrans-76.4122.9169.5-66.6179.6110.1165.53.1108.2R256R256-R258 PolarHBondContact O-N 3.12Å
259K43.9Very low45.3Very low195 Ų195154.7 Ų154.785%0.84880%0.799SS**PPolyproline II helixtrans-63.7142.8170.2-71.6-176.8176.4-178.80109.4T261K259-T261 PolarHBondContact O-N 3.05Å
260P41.8Very low44.1Very low122 Ų122154.8 Ų154.879%0.79280%0.798SS**PPolyproline II helixtrans-65.2132.2176.925.3-31.3000110.7Q262P260-Q262 PolarHBondContact O-N 3.08Å
261T39.1Very low43.4Very low114 Ų114153.1 Ų153.170%0.69980%0.801SS**  trans-65.6112.9174.3-460000109.1K259K259-T261 PolarHBondContact O-N 3.05Å
262Q43.8Very low42.9Very low171 Ų171156.1 Ų156.180%0.79981%0.812SS**  trans-78.6117.3166-70.2-178.8-7.100107.9P260 L264P260-Q262 PolarHBondContact O-N 3.08Å; Q262-L264 PolarHBondContact O-N 3.34Å
263F42.3Very low42.8Very low194 Ų194157.1 Ų157.185%0.85182%0.816SS**  trans-75.2108.1171-67.8-85.5000108.5Q265F263-Q265 PolarHBondContact O-N 2.75Å
264L39.4Very low42.1Very low141 Ų141158.1 Ų158.174%0.73882%0.823SS**  trans-76.1115.2163.6-108.685.9000108.2Q262 L266Q262-L264 PolarHBondContact O-N 3.34Å; L264-L266 PolarHBondContact O-N 3.18Å
265Q41Very low41.1Very low180 Ų180154.3 Ų154.384%0.84182%0.818SS**  trans-82102.6168.9-172.2166.7-2.800107.9F263F263-Q265 PolarHBondContact O-N 2.75Å
266L38.9Very low40.4Very low153 Ų153154.9 Ų154.980%0.80181%0.814SS**  trans-87121172.3-70.9172.5000108.9L264 A268L264-L266 PolarHBondContact O-N 3.18Å; L266-A268 PolarHBondContact O-N 3.23Å
267N36.9Very low40.2Very low147 Ų147151.3 Ų151.379%0.78681%0.812SS**  trans-68.3125.8174.6-76.1-27000109.9Q269N267-Q269 PolarHBondContact O-N 3.47Å
268A42.4Very low40Very low100 Ų100156.9 Ų156.983%0.82682%0.818SS**  trans-87.289.4177.300000110.3L266L266-A268 PolarHBondContact O-N 3.23Å
269Q42.6Very low40Very low174 Ų174154.2 Ų154.281%0.81381%0.813SS**  trans-141.4128.1160.1-69.7-167.73.300110.8N267N267-Q269 PolarHBondContact O-N 3.47Å
270T35.2Very low40Very low130 Ų130149.9 Ų149.980%0.79881%0.805SS**  trans64.2100.6155.550.90000119
271T38.4Very low40Very low147 Ų147150.6 Ų150.690%0.90281%0.807SS**  trans-157120.7131.1-43.20000109.1
272E39Very low39.9Very low182 Ų182154.6 Ų154.685%0.8581%0.811SS**  trans-72.2145.9175.2-64.7-145.4150.800112.1
273P42.2Very low39.9Very low130 Ų130153.4 Ų153.484%0.84481%0.809SS**  trans-88.4111178.733.1-28.8000111.5
274S39.5Very low39.9Very low124 Ų124148.6 Ų148.687%0.86780%0.796SS**  trans-81.2150.2161.6178.40000110.8
275C31.8Very low40.4Very low103 Ų103149 Ų14970%0.69681%0.805SS**  trans-71.2166.4-160-159.40000116
276N36.6Very low40.6Very low136 Ų136149.4 Ų149.473%0.72781%0.807SS**  trans75.698.6164.2-66.8-33.1000117.9
277D42.9Very low40.4Very low158 Ų158144.8 Ų144.885%0.84579%0.787SS**  -174.6136.3109-95.4-27.9000112.2K279D277-K279 PolarHBondContact O-N 2.88Å
278R39.8Very low40.5Very low252 Ų252147 Ų14795%0.95179%0.786SS**  trans-54.8103.9176.1-72.4171.6168.4169.9-3.9111.2
279K43.2Very low40.2Very low185 Ų185152.6 Ų152.680%0.80479%0.787SS**  trans-136.8142.6158.7-82.6-176.3-179.9171.10110.4D277 T281D277-K279 PolarHBondContact O-N 2.88Å; K279-T281 PolarHBondContact O-N 3.48Å
280P44.3Very low40.3Very low105 Ų105154.4 Ų154.468%0.68279%0.788SS**  trans-61.4124.6-176.125.4-32.3000109.7Y282P280-Y282 PolarHBondContact O-N 2.85Å
281T40.3Very low40.9Very low136 Ų136154.9 Ų154.983%0.83479%0.785SS**  trans-58.299.8-179.4-44.80000109.9K279 L283K279-T281 PolarHBondContact O-N 3.48Å; T281-L283 PolarHBondContact O-N 2.85Å
282Y38.3Very low41.3Very low198 Ų198151.3 Ų151.378%0.77676%0.764SS**  trans-64.2127.3160.4-69.3-82.8000107.2P280 T284P280-Y282 PolarHBondContact O-N 2.85Å; Y282-T284 VanDerWaalsContact C-N 3.32Å; Y282-T284 PolarHBondContact O-N 2.88Å
283L42.7Very low41.4Very low146 Ų146147.1 Ų147.176%0.76475%0.747SS**  trans-5995.2173.4-77160.8000108.9T281T281-L283 PolarHBondContact O-N 2.85Å
284T43.5Very low41.7Very low93 Ų93149.4 Ų149.457%0.57174%0.744SS**  trans-70.5134.5164.954.90000107.6Y282 Q286 S287Y282-T284 VanDerWaalsContact C-N 3.32Å; Y282-T284 PolarHBondContact O-N 2.88Å; T284-Q286 PolarHBondContact O-N 2.75Å; T284-S287 PolarHBondContact O-N 3.22Å; T284-S287 PolarHBondContact O-OG 3.39Å
285T48.7Very low42.1Very low151 Ų151149.4 Ų149.493%0.92674%0.74SS**THydrogen-bonded Turntrans-64.522.4-178.349.10000114.9
286Q44.9Very low42.4Very low188 Ų188148.9 Ų148.988%0.87973%0.73SS**THydrogen-bonded Turntrans-108.21.2177.5-70.8-173.9-12.500113T284T284-Q286 PolarHBondContact O-N 2.75Å
287S36.3Very low42.5Very low55 Ų55151.1 Ų151.139%0.38573%0.728SS.*SBendtrans-115.3133.4175.556.20000111.7T284T284-S287 PolarHBondContact O-N 3.22Å; T284-S287 PolarHBondContact O-OG 3.39Å
288Y38Very low42.4Very low195 Ų195150.3 Ų150.377%0.76572%0.719SS**  trans80.661.6167.6-46.2-76.2000118.1
289Y37Very low42.4Very low217 Ų217146 Ų14685%0.85171%0.714SS**  -80.8112.5126.2-75.7-78.8000106.5L291Y289-L291 PolarHBondContact O-N 2.82Å
290Y43Very low42.2Very low212 Ų212148.2 Ų148.283%0.83172%0.717SS**  trans-66.980.8163.7-147.7-87.6000106.4P292Y290-P292 WeakPolarHBondContact O-CD 3.07Å
291L48Very low41.7Very low140 Ų140147.8 Ų147.873%0.73372%0.717SS**  trans-68.6119.6156.9-100.281.7000104.8Y289 D293Y289-L291 PolarHBondContact O-N 2.82Å; L291-D293 PolarHBondContact O-N 2.95Å
292P46.4Very low41.5Very low71 Ų71147.5 Ų147.546%0.46172%0.717SS.*  trans-59.6115.6167.3-721000106.1Y290 F294Y290-P292 WeakPolarHBondContact O-CD 3.07Å; P292-F294 HydrophobicContact CB-CD2 4.07Å; P292-F294 HydrophobicContact CB-CE1 4.25Å; P292-F294 HydrophobicContact CB-CE2 3.58Å; P292-F294 HydrophobicContact CB-CZ 3.68Å; P292-F294 HydrophobicContact CG-CE2 3.74Å; P292-F294 HydrophobicContact CG-CZ 3.94Å; P292-F294 WeakPolarHBondContact O-CD2 3.31Å; P292-F294 PolarHBondContact O-N 3.37Å
293D42Very low41.6Very low94 Ų94146.3 Ų146.350%0.50372%0.718SS.*  trans-73.478.7178.9-164.95000108L291 T295 N296L291-D293 PolarHBondContact O-N 2.95Å; D293-T295 PolarHBondContact O-N 2.73Å; D293-T295 PolarHBondContact OD1-OG1 3.22Å; D293-N296 PolarHBondContact O-N 3.41Å; D293-N296 PolarHBondContact OD2-ND2 3.11Å
294F48.2Very low41.1Very low178 Ų178145.5 Ų145.578%0.78172%0.72SS**THydrogen-bonded Turntrans-65.8-3.2175.8-65.5-72000112.5P292P292-F294 HydrophobicContact CB-CD2 4.07Å; P292-F294 HydrophobicContact CB-CE1 4.25Å; P292-F294 HydrophobicContact CB-CE2 3.58Å; P292-F294 HydrophobicContact CB-CZ 3.68Å; P292-F294 HydrophobicContact CG-CE2 3.74Å; P292-F294 HydrophobicContact CG-CZ 3.94Å; P292-F294 WeakPolarHBondContact O-CD2 3.31Å; P292-F294 PolarHBondContact O-N 3.37Å
295T47.9Very low40.7Very low125 Ų125147.8 Ų147.877%0.76773%0.734SS**THydrogen-bonded Turntrans-92.1-7.1175.928.60000113.9D293 R297D293-T295 PolarHBondContact O-N 2.73Å; D293-T295 PolarHBondContact OD1-OG1 3.22Å; T295-R297 PolarHBondContact O-N 2.8Å
296N38.1Very low39.8Very low92 Ų92149.2 Ų149.249%0.49273%0.73SS.*  trans-93.378.7174.4-108.4-48.8000112.1D293 H298D293-N296 PolarHBondContact O-N 3.41Å; D293-N296 PolarHBondContact OD2-ND2 3.11Å; N296-H298 PolarHBondContact O-N 3.25Å; N296-H298 PolarHBondContact OD1-CD2 2.76Å
297R38.8Very low39.2Very low182 Ų182144.2 Ų144.269%0.68772%0.72SS**  trans-70.559.4154.1-72.2-173.2179.4-170.8-0.8109.5T295 L299 M318T295-R297 PolarHBondContact O-N 2.8Å; R297-L299 PolarHBondContact O-N 3.01Å; R297-M318 VanDerWaalsContact NH1-CE 3.33Å
298H41.4Very low38.9Very low141 Ų141149.4 Ų149.465%0.65374%0.738SS**  trans-86.192168.9-103.3-42.1000109.2N296 R300N296-H298 PolarHBondContact O-N 3.25Å; N296-H298 PolarHBondContact OD1-CD2 2.76Å; H298-R300 VanDerWaalsContact C-N 3.34Å; H298-R300 PolarHBondContact O-N 2.97Å
299L38.9Very low38.9Very low162 Ų162146.6 Ų146.685%0.84874%0.741SS**  trans-52.399.9151.9-77.696.2000108.4R297R297-L299 PolarHBondContact O-N 3.01Å
300R40.5Very low38.8Very low232 Ų232142 Ų14288%0.87574%0.736SS**  trans-141123160.4-89-171.1170.7173.8-2.3104.9H298H298-R300 VanDerWaalsContact C-N 3.34Å; H298-R300 PolarHBondContact O-N 2.97Å
301S33.7Very low38.6Very low96 Ų96140.4 Ų140.467%0.67174%0.736SS**  cis-164.2133.2-5.9169.10000101.5E303S301-E303 PolarHBondContact O-N 3.29Å; S301-E303 VanDerWaalsContact O-N 3.12Å
302P35.8Very low38.1Very low129 Ų129138.2 Ų138.284%0.83873%0.73SS**  trans-82.792.1-179.332.4-27.8000108.5
303E38.8Very low37.5Very low173 Ų173146.9 Ų146.981%0.80875%0.754SS**  trans-84.9113.7158.5-99.1172.4156.700108.2S301S301-E303 PolarHBondContact O-N 3.29Å; S301-E303 VanDerWaalsContact O-N 3.12Å
304T33Very low37.4Very low129 Ų129145.7 Ų145.779%0.79176%0.764SS**SBendtrans67.874.2154.351.40000118.3
305V34.5Very low37Very low142 Ų142143.7 Ų143.786%0.86177%0.766SS**  trans-136103.2132.2-1750000108.4A307V305-A307 PolarHBondContact O-N 2.89Å
306Q29.7Very low36.8Very low180 Ų180143.2 Ų143.284%0.84177%0.765SS**  trans-67.3101.5176.5-160.9176.927.300108.8
307A33Very low37Very low83 Ų83150 Ų15069%0.68678%0.784SS**  trans-135.790.4164.700000108.1V305 V309V305-A307 PolarHBondContact O-N 2.89Å; A307-V309 PolarHBondContact O-N 3.04Å
308H30Very low37Very low164 Ų164147.6 Ų147.676%0.75978%0.782SS**  trans-59.8102.2167-88-89.5000109.4
309V38.8Very low36.8Very low137 Ų137146 Ų14683%0.8379%0.787SS**  trans-130.493.3151.6-176.10000107.2A307A307-V309 PolarHBondContact O-N 3.04Å
310T34.3Very low36.7Very low121 Ų121145 Ų14574%0.74278%0.782SS**  trans-56124.3167.7-43.20000109.5
311E38.5Very low36.4Very low178 Ų178138.4 Ų138.483%0.83277%0.771SS**  trans-164.7140.2145.8-103.1-82.6129.800109.5
312P37.6Very low36.5Very low93 Ų93139.3 Ų139.360%0.60477%0.773SS**  trans-103152.2-153.936.6-27.1000114.1
313R34.2Very low36.5Very low253 Ų253138.6 Ų138.696%0.95577%0.766SS**  trans50.686.7153.1-65-175.9-171.8-133.22.4116.9
314G38.6Very low36.9Very low70 Ų70138 Ų13872%0.72277%0.768SS**  trans-153.8119.1159.900000110.6
315V41.9Very low37.4Very low136 Ų136138.4 Ų138.482%0.82476%0.764SS**  trans-48.8124.5179.6-178.40000110.8R317V315-R317 PolarHBondContact O-N 2.61Å
316P43Very low38Very low114 Ų114140.6 Ų140.674%0.7476%0.764SS**  trans-73.8106.6177.828.1-28.8000108.6M318P316-M318 PolarHBondContact O-N 3.17Å
317R41.6Very low39.3Very low236 Ų236135.9 Ų135.989%0.89175%0.748SS**  trans-55.7111.3164.8-75.5-174.5175.9-160.40.1107.7V315 S319V315-R317 PolarHBondContact O-N 2.61Å; R317-S319 VanDerWaalsContact C-N 3.3Å; R317-S319 PolarHBondContact O-N 2.96Å
318M38.3Very low40.4Very low131 Ų131134.9 Ų134.965%0.64573%0.734SS**  trans-65.591.1170.1-84.4164.456.200108.8R297 P316 N320R297-M318 VanDerWaalsContact NH1-CE 3.33Å; P316-M318 PolarHBondContact O-N 3.17Å; M318-N320 PolarHBondContact O-N 3.37Å
319S38.4Very low41.9Very low108 Ų108131.8 Ų131.876%0.75573%0.731SS**  trans-68.3112.1162.523.50000107.8R317 S321R317-S319 VanDerWaalsContact C-N 3.3Å; R317-S319 PolarHBondContact O-N 2.96Å; S319-S321 PolarHBondContact O-N 2.81Å
320N35.5Very low43.2Very low139 Ų139133 Ų13374%0.74372%0.721SS**  trans-67.474.7170.5-66.6-26.2000109.1M318 T322M318-N320 PolarHBondContact O-N 3.37Å; N320-T322 VanDerWaalsContact C-N 3.32Å; N320-T322 PolarHBondContact O-N 3.38Å
321S34.6Very low44.4Very low94 Ų94135.1 Ų135.166%0.65772%0.715SS**  trans-70.993166175.10000107.2S319 V323S319-S321 PolarHBondContact O-N 2.81Å; S321-V323 VanDerWaalsContact C-N 3.29Å; S321-V323 PolarHBondContact O-N 3.28Å
322T36.9Very low45.7Very low116 Ų116131 Ų13171%0.71270%0.702SS**  trans-66.993.5165.747.40000107.4N320 L324N320-T322 VanDerWaalsContact C-N 3.32Å; N320-T322 PolarHBondContact O-N 3.38Å; T322-L324 PolarHBondContact O-N 2.98Å
323V34.6Very low46.4Very low113 Ų113133.5 Ų133.569%0.68571%0.709SS**  trans-66.1102168.91800000106.8S321 I325S321-V323 VanDerWaalsContact C-N 3.29Å; S321-V323 PolarHBondContact O-N 3.28Å; V323-I325 PolarHBondContact O-N 3.34Å
324L46.9Very low47.4Very low161 Ų161126.3 Ų126.384%0.84370%0.695SS**  trans-71.6120.1171.1-66.4173.7000107.5T322T322-L324 PolarHBondContact O-N 2.98Å
325I44.7Very low48.1Very low138 Ų138128.8 Ų128.871%0.70869%0.69SS**  trans-98124.6173.4-47.6172.2000106.6V323 V327V323-I325 PolarHBondContact O-N 3.34Å; I325-V327 PolarHBondContact O-N 3.42Å
326E47.4Very low48.2Very low187 Ų187128.4 Ų128.487%0.87469%0.691SS**  trans-69.5113171.6-171.4179.7173.400109.1
327V56.4Low48.4Very low82 Ų82126.9 Ų126.950%0.49770%0.696SS.*  trans-104.5118.8174.5-178.40000108.4I325 S329 R331 V332I325-V327 PolarHBondContact O-N 3.42Å; V327-S329 PolarHBondContact O-N 3.39Å; V327-R331 HydrophobicContact CG1-CB 3.94Å; V327-V332 HydrophobicContact CG1-CG2 4.43Å
328P55.6Low48.7Very low61 Ų61119.6 Ų119.640%0.39668%0.677SS.*  trans-54.7130.5175.6-27.835.3000111.6W330 R331P328-W330 HydrophobicContact CB-CG 4.42Å; P328-W330 PolarHBondContact O-N 2.96Å; P328-R331 WeakPolarHBondContact O-CB 3.18Å; P328-R331 PolarHBondContact O-N 2.86Å
329S62.8Low49Very low100 Ų100121.4 Ų121.470%0.69968%0.684SS**G310 helixtrans-55.4-22.3-170.760.20000115.5V327 R331 V332V327-S329 PolarHBondContact O-N 3.39Å; S329-R331 VanDerWaalsContact C-N 3.29Å; S329-R331 PolarHBondContact O-N 3.18Å; S329-V332 PolarHBondContact O-N 2.97Å
330W65.5Low49.1Very low162 Ų162122.6 Ų122.661%0.61468%0.682SS**G310 helixtrans-73.6-17.9176.862.7-94.6000113.9P328P328-W330 HydrophobicContact CB-CG 4.42Å; P328-W330 PolarHBondContact O-N 2.96Å
331R60.5Low49.2Very low165 Ų165122.7 Ų122.762%0.62368%0.678SS**G310 helixtrans-84-13.5174.3-67.2-169176.1-143.21.4113.2V327 P328 S329 I333V327-R331 HydrophobicContact CG1-CB 3.94Å; P328-R331 WeakPolarHBondContact O-CB 3.18Å; P328-R331 PolarHBondContact O-N 2.86Å; S329-R331 VanDerWaalsContact C-N 3.29Å; S329-R331 PolarHBondContact O-N 3.18Å; R331-I333 PolarHBondContact O-N 3.24Å
332V64.2Low49.6Very low93 Ų93124.1 Ų124.156%0.56468%0.682SS**  trans-8399.8176.5-173.80000107.9V327 S329 P334V327-V332 HydrophobicContact CG1-CG2 4.43Å; S329-V332 PolarHBondContact O-N 2.97Å; V332-P334 WeakPolarHBondContact O-CD 3.42Å
333I53.7Low49.7Very low144 Ų144124 Ų12474%0.73868%0.678SS**  trans-84.5107.6171.8-57.7175.1000107.1R331 I335R331-I333 PolarHBondContact O-N 3.24Å; I333-I335 PolarHBondContact O-N 3.49Å
334P54.7Low49.8Very low102 Ų102124.1 Ų124.166%0.66268%0.682SS**PPolyproline II helixtrans-65.1121.5173.824.9-30.9000109.1V332 P336V332-P334 WeakPolarHBondContact O-CD 3.42Å; P334-P336 WeakPolarHBondContact O-CD 3.06Å
335I53.1Low49.2Very low122 Ų122122 Ų12263%0.62668%0.681SS**PPolyproline II helixtrans-74.2117.1173.1-58.4174.5000107.5I333 G337 V338I333-I335 PolarHBondContact O-N 3.49Å; I335-G337 PolarHBondContact O-N 3.38Å; I335-V338 HydrophobicContact CB-CG2 4.06Å; I335-V338 HydrophobicContact CG2-CG2 3.89Å; I335-V338 PolarHBondContact O-N 3.16Å
336P44.1Very low48.9Very low128 Ų128120.9 Ų120.983%0.83168%0.684SS**THydrogen-bonded Turntrans-63127.3175.4-15.328.8000109.8P334P334-P336 WeakPolarHBondContact O-CD 3.06Å
337G47.5Very low48.3Very low83 Ų83115.5 Ų115.586%0.85668%0.678SS**THydrogen-bonded Turntrans100.2-3.917800000115.5I335I335-G337 PolarHBondContact O-N 3.38Å
338V48Very low47.3Very low82 Ų82115.9 Ų115.950%0.49769%0.69SS.*  trans-96.290.6163.7-170.90000107I335 N340I335-V338 HydrophobicContact CB-CG2 4.06Å; I335-V338 HydrophobicContact CG2-CG2 3.89Å; I335-V338 PolarHBondContact O-N 3.16Å; V338-N340 VanDerWaalsContact C-N 3.27Å; V338-N340 VanDerWaalsContact CG1-OD1 3.28Å; V338-N340 WeakPolarHBondContact CG1-OD1 3.48Å; V338-N340 PolarHBondContact O-N 3Å
339E43.3Very low46.6Very low169 Ų169121.2 Ų121.279%0.7971%0.707SS**  trans-62.999.9159.1-76.6-178.2165.900106.2H341E339-H341 PolarHBondContact O-N 2.97Å
340N41.5Very low45.5Very low133 Ų133124.6 Ų124.671%0.71171%0.712SS**  trans-65.386.1168.6-74.8-19.7000107V338 V342V338-N340 VanDerWaalsContact C-N 3.27Å; V338-N340 VanDerWaalsContact CG1-OD1 3.28Å; V338-N340 WeakPolarHBondContact CG1-OD1 3.48Å; V338-N340 PolarHBondContact O-N 3Å; N340-V342 HydrophobicContact CB-CG2 4.2Å; N340-V342 PolarHBondContact O-N 3.06Å
341H38.2Very low44.2Very low142 Ų142122.8 Ų122.866%0.65772%0.723SS**  trans-63.577157.4-108.9-84.1000106.6E339 D343E339-H341 PolarHBondContact O-N 2.97Å; H341-D343 IonicContact CE1-OD2 3.37Å; H341-D343 PolarHBondContact CE1-OD2 2.77Å; H341-D343 IonicContact CG-OD2 3.85Å; H341-D343 VanDerWaalsContact ND1-CG 3.28Å; H341-D343 IonicContact ND1-OD1 3.51Å; H341-D343 IonicContact ND1-OD2 2.73Å; H341-D343 PolarHBondContact ND1-OD2 3.03Å; H341-D343 PolarHBondContact O-N 2.87Å
342V42.7Very low43.3Very low123 Ų123124.5 Ų124.575%0.74574%0.736SS**  trans-78.866.4157.2-169.90000105.4N340 C344N340-V342 HydrophobicContact CB-CG2 4.2Å; N340-V342 PolarHBondContact O-N 3.06Å; V342-C344 PolarHBondContact O-N 3.43Å; V342-C344 VanDerWaalsContact O-N 3.11Å
343D37.6Very low42.2Very low115 Ų115125.8 Ų125.862%0.61575%0.748SS**  trans-66.4110159.9-81.7-29.8000105.6H341 S345H341-D343 IonicContact CE1-OD2 3.37Å; H341-D343 PolarHBondContact CE1-OD2 2.77Å; H341-D343 IonicContact CG-OD2 3.85Å; H341-D343 VanDerWaalsContact ND1-CG 3.28Å; H341-D343 IonicContact ND1-OD1 3.51Å; H341-D343 IonicContact ND1-OD2 2.73Å; H341-D343 PolarHBondContact ND1-OD2 3.03Å; H341-D343 PolarHBondContact O-N 2.87Å; D343-S345 PolarHBondContact O-N 3.09Å
344C36.6Very low41.2Very low115 Ų115124.7 Ų124.778%0.77775%0.753SS**  trans-63.979.3173.3-148.50000107.7V342 C346V342-C344 PolarHBondContact O-N 3.43Å; V342-C344 VanDerWaalsContact O-N 3.11Å; C344-C346 PolarHBondContact O-N 2.88Å
345S34.6Very low40.6Very low116 Ų116125.4 Ų125.481%0.81176%0.757SS**  trans-79.473.6173.2550000109D343D343-S345 PolarHBondContact O-N 3.09Å
346C38.3Very low40.1Very low114 Ų114128.6 Ų128.677%0.7777%0.766SS**  trans-113.4113.3163.1-79.10000108.4C344C344-C346 PolarHBondContact O-N 2.88Å
347G35.3Very low39.9Very low74 Ų74131.1 Ų131.176%0.76376%0.764SS**  trans91.176.2148.300000116.9
348A35.9Very low39.3Very low91 Ų91135.2 Ų135.275%0.75276%0.761SS**  55.2118.3120.700000119.8
349K39.7Very low39Very low173 Ų173138.8 Ų138.875%0.75277%0.772SS**  trans105132.9144.3-50.5-161.7179.6-179.20116.4
350H40.5Very low38.8Very low171 Ų171136.4 Ų136.479%0.79277%0.765SS**  trans76.6100.8170.2-41.1-73.9000112.5
351S37.6Very low38.6Very low123 Ų123141.1 Ų141.186%0.8677%0.772SS**  -169.8141.576.8-57.50000110.2
352K42.7Very low38.7Very low202 Ų202145.5 Ų145.588%0.87878%0.783SS**  trans-77.1165.5-178.1-66.5170.6174.2176.30112.1
353S40.1Very low38.6Very low119 Ų119149.6 Ų149.683%0.83279%0.791SS**  trans88.2130167.886.30000114.4
354C33.2Very low38.7Very low122 Ų122150.9 Ų150.982%0.82480%0.797SS**  cis-164.2142.6-3.2-145.20000106.3
355P41Very low38.7Very low117 Ų117151.9 Ų151.976%0.7680%0.8SS**  trans-94.7136.617734.7-28000110.7
356K43.3Very low39Very low188 Ų188153.1 Ų153.182%0.81780%0.798SS**  trans-169.1118.7153.2-118.6163.7179.7174.90113.2
357K40.2Very low39.1Very low182 Ų182155.5 Ų155.579%0.79180%0.799SS**  trans55.6111.1136.2-63.2-171.9179.5-164.70117.6
358H35.4Very low39.2Very low169 Ų169159.1 Ų159.178%0.78280%0.801SS**  67102.587.1-156.4-50.9000112.5
359Q40.2Very low39.1Very low157 Ų157161 Ų16173%0.73480%0.804SS**  174.8138.8119.3-100.8-176.1-21.700112.3
360D40.8Very low39.1Very low118 Ų118160.8 Ų160.863%0.63181%0.81SS**  trans65.6110.2141-73-45.8000121.3R362D360-R362 PolarHBondContact O-N 3.47Å
361R37.2Very low38.9Very low232 Ų232161 Ų16188%0.87581%0.808SS**  23.499.3112.8-88.9-176.7159.6178.2-3.1114.1
362R39.9Very low38.6Very low235 Ų235160.6 Ų160.689%0.88781%0.805SS**  trans-150.6117.5136.3-104.5165.9-152.6-1616.6109.3D360 L364D360-R362 PolarHBondContact O-N 3.47Å; R362-L364 PolarHBondContact O-N 2.92Å
363K39.5Very low38.1Very low208 Ų208157.7 Ų157.790%0.90480%0.795SS**  trans-54.8121.4160.9-68.7178.8173.1-175.70107.7
364L40.3Very low37.9Very low142 Ų142159.5 Ų159.574%0.74380%0.795SS**  trans-128.583.9158.5-101.9142000105.9R362 D366R362-L364 PolarHBondContact O-N 2.92Å; L364-D366 HydrophobicContact CD2-CB 4.31Å; L364-D366 PolarHBondContact O-N 3.49Å
365T37.7Very low38.1Very low136 Ų136162.4 Ų162.483%0.83480%0.802SS**  trans-62.5107.2141.439.40000106
366D39.7Very low37.9Very low143 Ų143168.1 Ų168.177%0.76581%0.808SS**  trans-134.5129155.1-139.3-12.3000109.1L364 D368L364-D366 HydrophobicContact CD2-CB 4.31Å; L364-D366 PolarHBondContact O-N 3.49Å; D366-D368 PolarHBondContact O-N 3.43Å
367M40.7Very low37.4Very low164 Ų164162.7 Ų162.781%0.80880%0.798SS**  trans-77.6107.5-174.3-77.4-96.679.200108.3
368D37.4Very low37.2Very low150 Ų150162.3 Ų162.380%0.80280%0.804SS**  trans-116.2114151-96-35.2000109.5D366 L370D366-D368 PolarHBondContact O-N 3.43Å; D368-L370 PolarHBondContact O-N 2.91Å
369T34.1Very low37.1Very low131 Ų131164.9 Ų164.980%0.80481%0.806SS**  trans-52.989.8173.837.30000111.8
370L38.7Very low36.8Very low168 Ų168162.5 Ų162.588%0.8881%0.807SS**  trans-105.397.4158.7-95.3157000108.9D368 S372D368-L370 PolarHBondContact O-N 2.91Å; L370-S372 PolarHBondContact O-N 3.35Å
371K36.4Very low36.3Very low175 Ų175161.6 Ų161.676%0.76181%0.81SS**  trans-3.8110.4164.3-71175.5177.5177.20114.7H373K371-H373 PolarHBondContact O-N 3.29Å
372S32.3Very low36.2Very low114 Ų114158.7 Ų158.780%0.79781%0.811SS**SBendtrans-65.769.6160.757.10000111.1L370L370-S372 PolarHBondContact O-N 3.35Å
373H33Very low36Very low141 Ų141154.4 Ų154.465%0.65381%0.805SS**  trans-141.9104164.9-58.2-61.2000105.1K371K371-H373 PolarHBondContact O-N 3.29Å
374N34.9Very low35.7Very low158 Ų158150.5 Ų150.585%0.84580%0.799SS**SBendtrans163.932.9154.1-82-23.8000113.3
375L37.5Very low35.5Very low183 Ų183152 Ų15296%0.95881%0.806SS**  trans-143.753.7164.5-67.3176.8000110.2
376R35.9Very low35.5Very low237 Ų237152.6 Ų152.689%0.89480%0.804SS**SBendtrans-108.4105.1163-172.4177.5-73.1-176.2-2.5107.2L378R376-L378 PolarHBondContact O-N 3.41Å
377A34Very low35.1Very low74 Ų74150.2 Ų150.261%0.61280%0.799SS**  trans34.784.3153.600000116.1R379A377-R379 PolarHBondContact O-N 2.98Å
378L35.5Very low34.9Very low173 Ų173149.7 Ų149.791%0.90680%0.804SS**SBendtrans-73.146.2156-72.4174.4000110.9R376R376-L378 PolarHBondContact O-N 3.41Å
379R33.4Very low35Very low223 Ų223150.2 Ų150.284%0.84280%0.802SS**SBendtrans-132.855.4178.3-79.6-171.8160153.5-3.2109.6A377A377-R379 PolarHBondContact O-N 2.98Å
380S34.2Very low34.8Very low108 Ų108148.8 Ų148.876%0.75580%0.797SS**SBendtrans161.372.6158.455.30000111.2
381S30.9Very low34.6Very low98 Ų98148.8 Ų148.869%0.68580%0.798SS**  trans-163.480.2161.663.20000109.9
382L34.2Very low34.9Very low172 Ų172148.4 Ų148.490%0.90180%0.796SS**SBendtrans-171.643.4157.2-101.1168.5000109.7
383L36.6Very low35.2Very low145 Ų145148.9 Ų148.976%0.75979%0.789SS**  trans-131.968.6166.9-70.8175.4000107.9
384T32.3Very low35.3Very low126 Ų126152.2 Ų152.277%0.77380%0.798SS**  trans-133.874.8165.4-29.10000107.7
385I37.1Very low35.5Very low173 Ų173150.3 Ų150.389%0.88780%0.797SS**  trans-118.266.1158.3-43.6176.4000106
386N37.1Very low35.4Very low148 Ų148148.5 Ų148.579%0.79179%0.794SS**  trans-99.2126.4165.6-83.6-11.5000108.1
387S31.9Very low35.8Very low94 Ų94144.8 Ų144.866%0.65779%0.791SS**  trans73.694155.5-164.60000117.5
388V34.7Very low35.8Very low153 Ų153148.7 Ų148.793%0.92780%0.796SS**  trans-110.884139-176.80000106.4
389H39.5Very low36.2Very low161 Ų161148.6 Ų148.675%0.74580%0.796SS**  trans-82.3139158.5-86.846.3000108.9
390S31.6Very low36.5Very low101 Ų101148.2 Ų148.271%0.70680%0.795SS**  trans61.2101.6150.4169.70000116.9
391N34.4Very low36.9Very low168 Ų168148.4 Ų148.490%0.89880%0.796SS**  trans-133.8110.2133.6-140.8-2.3000110.4
392K41.2Very low37.5Very low167 Ų167153.1 Ų153.173%0.72680%0.804SS**  trans-72.5151.2166.3-69.2173174.3177.60108.4
393N40.1Very low37.5Very low123 Ų123150.8 Ų150.866%0.65880%0.799SS**  trans113136.4151.7-53.6-36.2000117.1
394Y35.3Very low37.6Very low211 Ų211155.3 Ų155.383%0.82781%0.806SS**  trans86.1110.4165.7-46-71.4000114.7
395S38.6Very low37.9Very low119 Ų119153.7 Ų153.783%0.83280%0.8SS**  cis-153.5108.644.8-54.80000112.1
396T35.4Very low37.9Very low145 Ų145156.9 Ų156.989%0.8980%0.801SS**  trans-92.2108164.9-55.70000107.7
397L43.2Very low37.9Very low158 Ų158155.1 Ų155.183%0.82780%0.8SS**  trans-79.9120.5171.8-142.2140000107.5L399L397-L399 PolarHBondContact O-N 2.99Å
398E34.2Very low38.1Very low156 Ų156155.6 Ų155.673%0.72980%0.803SS**  trans-58.3125.2178.6-69-151.2160.200112
399L44.1Very low38.4Very low172 Ų172156.8 Ų156.890%0.90180%0.799SS**  trans-132.7102.6152-96.9159.5000107.9L397L397-L399 PolarHBondContact O-N 2.99Å
400R39.3Very low38.2Very low215 Ų215155.1 Ų155.181%0.81180%0.8SS**  trans-61.1160.4172.8-78.3-171160.5-150.1-3.6112.1
401S42.4Very low38.7Very low112 Ų112158.8 Ų158.878%0.78381%0.806SS**  trans96.7126.217078.60000113.9
402K44Very low38.8Very low197 Ų197159.1 Ų159.186%0.85780%0.802SS**  cis-159.1151.43.6-99.8157176.7176.90107.2
403P35Very low38.8Very low122 Ų122159 Ų15979%0.79280%0.804SS**  trans-103.9130.9173.435.7-25.9000112.3
404R38.5Very low38.8Very low240 Ų240161 Ų16191%0.90681%0.809SS**  trans169.1144.9159.4-118.3167.4162.5171-4.1108.5
405S38.7Very low39Very low92 Ų92156.2 Ų156.264%0.64381%0.806SS**  cis-177.4147.3-17.5-96.40000104.8
406R36.2Very low39Very low241 Ų241159.2 Ų159.291%0.90981%0.807SS**  trans38125.2146.5-73.5176.9160.1179.7-6.5119
407S37.1Very low39.1Very low110 Ų110159 Ų15977%0.76981%0.806SS**  171.4131.497.1-173.60000111.3
408S35.9Very low38.6Very low104 Ų104154.8 Ų154.873%0.72780%0.8SS**  trans-43.2149.3157.1440000114.3
409Q42.4Very low39Very low178 Ų178155.7 Ų155.783%0.83280%0.804SS**  -178.6126.6114.1-169.3160.5-0.400111.4
410T35.4Very low39Very low127 Ų127151 Ų15178%0.77978%0.784SS**  trans-60.8138.4166.236.60000112.3
411H40.8Very low39.4Very low177 Ų177148 Ų14882%0.81979%0.789SS**  trans-151120.1145.1-129.4-83000110.3
412E37.2Very low39.6Very low175 Ų175150.9 Ų150.982%0.81879%0.788SS**  trans-60.3139.5157.9-65.7175.9139.200108.6
413E41.5Very low39.6Very low165 Ų165146 Ų14677%0.77178%0.779SS**  164.2149.1125.2-91-177175.400111.4
414H39.9Very low40.4Very low166 Ų166147.2 Ų147.277%0.76978%0.783SS**  trans96.678.1165.6-64.39.4000117.9
415S38.2Very low40.6Very low110 Ų110138.6 Ų138.677%0.76977%0.769SS**  29.4126.7112.7-61.90000120
416Q38.7Very low41.4Very low182 Ų182140.5 Ų140.585%0.8578%0.776SS**  trans94.4117.1144.1-75.1-1766.600119.2
417V37.6Very low42.5Very low141 Ų141136.2 Ų136.286%0.85577%0.771SS**  trans89.397153.3-163.70000117.2
418G33.9Very low43.9Very low69 Ų69138.1 Ų138.171%0.71177%0.772SS**  trans87.298.3133.200000117.2
419E42.3Very low45.5Very low175 Ų175138.1 Ų138.182%0.81876%0.761SS**  trans-167.9114.3143.2-103-82.9131.100107.6V421E419-V421 PolarHBondContact O-N 2.92Å
420P44.8Very low47.1Very low72 Ų72134.7 Ų134.747%0.46875%0.748SS.*  trans-69.5126.7173.329-30.8000108.5K422P420-K422 HydrophobicContact CB-CD 4.36Å; P420-K422 HydrophobicContact CB-CG 4Å; P420-K422 HydrophobicContact CG-CD 3.78Å; P420-K422 VanDerWaalsContact CG-CE 3.43Å; P420-K422 HydrophobicContact CG-CG 3.94Å; P420-K422 PolarHBondContact O-N 3.28Å
421V47.1Very low49.4Very low154 Ų154134.2 Ų134.293%0.93374%0.74SS**  trans-57.782.3167.5-176.80000108.4E419 S423E419-V421 PolarHBondContact O-N 2.92Å; V421-S423 PolarHBondContact O-N 3.47Å
422K46.6Very low51.3Low172 Ų172130 Ų13075%0.74873%0.73SS**  trans-93104-174.6-83.4177.2177.9171.10109.8P420P420-K422 HydrophobicContact CB-CD 4.36Å; P420-K422 HydrophobicContact CB-CG 4Å; P420-K422 HydrophobicContact CG-CD 3.78Å; P420-K422 VanDerWaalsContact CG-CE 3.43Å; P420-K422 HydrophobicContact CG-CG 3.94Å; P420-K422 PolarHBondContact O-N 3.28Å
423S44.6Very low53.8Low95 Ų95124.6 Ų124.666%0.66471%0.707SS**  trans52.897.3158.361.60000115.8V421 G425V421-S423 PolarHBondContact O-N 3.47Å; S423-G425 VanDerWaalsContact C-N 3.35Å; S423-G425 PolarHBondContact O-N 2.89Å
424V51Low56.1Low147 Ų147121.5 Ų121.589%0.89170%0.701SS**SBendtrans-47.6111142.2174.30000105.6V426V424-V426 PolarHBondContact O-N 2.92Å
425G43.1Very low58.4Low59 Ų59115.8 Ų115.861%0.60868%0.683SS**  trans-48.6117.9-17100000109.7S423 L427S423-G425 VanDerWaalsContact C-N 3.35Å; S423-G425 PolarHBondContact O-N 2.89Å; G425-L427 PolarHBondContact O-N 3.3Å
426V54.4Low60.9Low131 Ų131111.8 Ų111.879%0.79465%0.651SS**  trans-56.696.7155.9176.80000103.4V424 D428V424-V426 PolarHBondContact O-N 2.92Å; V426-D428 PolarHBondContact O-N 2.62Å
427L59.8Low63.4Low151 Ų151107.6 Ų107.679%0.79163%0.634SS**  trans-61101.4171.9-163.184.6000103.2G425 E429G425-L427 PolarHBondContact O-N 3.3Å; L427-E429 PolarHBondContact O-N 2.74Å
428D66.8Low66Low150 Ų150103.6 Ų103.680%0.80262%0.616SS**  trans-61.594.3-179-156.116.6000105.4V426 N430V426-D428 PolarHBondContact O-N 2.62Å; D428-N430 PolarHBondContact O-N 3.22Å
429E69.8Low68.7Low105 Ų105106.1 Ų106.149%0.49160%0.604SS.*  trans-60.1118.3-178.4-68.7-168.7-17600105.4L427 I431 F436L427-E429 PolarHBondContact O-N 2.74Å; E429-I431 VanDerWaalsContact C-N 3.34Å; E429-I431 PolarHBondContact O-N 3.4Å; E429-F436 HydrophobicContact CB-CD2 3.95Å; E429-F436 HydrophobicContact CB-CE2 3.87Å; E429-F436 VanDerWaalsContact OE2-CD2 3.25Å; E429-F436 WeakPolarHBondContact OE2-CD2 3.28Å; E429-F436 WeakPolarHBondContact OE2-CE2 3.26Å
430N76.6Confident71.1Confident106 Ų106102 Ų10257%0.56759%0.585SS**  trans-62.3100.8-177.8-175.7-10.4000108.3D428 S432 D433D428-N430 PolarHBondContact O-N 3.22Å; N430-S432 PolarHBondContact O-N 2.84Å; N430-S432 VanDerWaalsContact OD1-CB 3.31Å; N430-S432 WeakPolarHBondContact OD1-CB 3.46Å; N430-S432 PolarHBondContact OD1-N 3.04Å; N430-D433 HydrophobicContact CB-CB 4.34Å; N430-D433 WeakPolarHBondContact O-CB 3.42Å; N430-D433 PolarHBondContact O-N 2.85Å
431I81.9Confident73.3Confident117 Ų117101.1 Ų101.160%0.658%0.58SS**THydrogen-bonded Turntrans-60.2-14.5-178.758.2172.6000112.9E429 F436 L437E429-I431 VanDerWaalsContact C-N 3.34Å; E429-I431 PolarHBondContact O-N 3.4Å; I431-F436 HydrophobicContact CB-CD1 4.4Å; I431-F436 HydrophobicContact CB-CE1 4Å; I431-F436 HydrophobicContact CG2-CE1 3.85Å; I431-F436 HydrophobicContact CG2-CZ 3.9Å; I431-L437 WeakPolarHBondContact O-CD2 3.43Å
432S82.5Confident75.5Confident88 Ų88103.1 Ų103.162%0.61557%0.571SS**THydrogen-bonded Turntrans-91-7175.4-51.80000113.4N430 P434N430-S432 PolarHBondContact O-N 2.84Å; N430-S432 VanDerWaalsContact OD1-CB 3.31Å; N430-S432 WeakPolarHBondContact OD1-CB 3.46Å; N430-S432 PolarHBondContact OD1-N 3.04Å; S432-P434 WeakPolarHBondContact O-CD 3.3Å
433D89.3Confident77.7Confident62 Ų62100.3 Ų100.333%0.33256%0.563SS.*  trans-64122.6176.6174.915.3000109.7N430 A435 F436 L437N430-D433 HydrophobicContact CB-CB 4.34Å; N430-D433 WeakPolarHBondContact O-CB 3.42Å; N430-D433 PolarHBondContact O-N 2.85Å; D433-A435 PolarHBondContact O-N 3.43Å; D433-A435 VanDerWaalsContact O-N 3.1Å; D433-A435 PolarHBondContact OD1-N 2.93Å; D433-F436 HydrophobicContact CB-CB 3.96Å; D433-F436 WeakPolarHBondContact O-CA 3.41Å; D433-F436 WeakPolarHBondContact O-CB 3.34Å; D433-F436 PolarHBondContact O-N 3.28Å; D433-L437 PolarHBondContact O-N 2.92Å
434P89.4Confident80Confident100 Ų100101.9 Ų101.965%0.64956%0.56SS**Hα-helixtrans-52.8-32.4175.5-27.435.1000113.5S432 A438S432-P434 WeakPolarHBondContact O-CD 3.3Å; P434-A438 VanDerWaalsContact O-CB 3.26Å; P434-A438 WeakPolarHBondContact O-CB 3.2Å; P434-A438 PolarHBondContact O-N 3.49Å
435A88.3Confident82.1Confident46 Ų46100.2 Ų100.238%0.3855%0.545SS..Hα-helixtrans-71.8-36.8176.800000112.1D433 R439D433-A435 PolarHBondContact O-N 3.43Å; D433-A435 VanDerWaalsContact O-N 3.1Å; D433-A435 PolarHBondContact OD1-N 2.93Å; A435-R439 WeakPolarHBondContact O-CG 3.39Å; A435-R439 PolarHBondContact O-N 3.34Å; A435-R439 PolarHBondContact O-NH1 3.25Å
436F91.1Very high84.5Confident25 Ų25100.8 Ų100.811%0.1153%0.532CS..Hα-helixtrans-62.7-50.9171.8177.1-88.4000110.9E429 I431 D433 A438 R439 H440E429-F436 HydrophobicContact CB-CD2 3.95Å; E429-F436 HydrophobicContact CB-CE2 3.87Å; E429-F436 VanDerWaalsContact OE2-CD2 3.25Å; E429-F436 WeakPolarHBondContact OE2-CD2 3.28Å; E429-F436 WeakPolarHBondContact OE2-CE2 3.26Å; I431-F436 HydrophobicContact CB-CD1 4.4Å; I431-F436 HydrophobicContact CB-CE1 4Å; I431-F436 HydrophobicContact CG2-CE1 3.85Å; I431-F436 HydrophobicContact CG2-CZ 3.9Å; D433-F436 HydrophobicContact CB-CB 3.96Å; D433-F436 WeakPolarHBondContact O-CA 3.41Å; D433-F436 WeakPolarHBondContact O-CB 3.34Å; D433-F436 PolarHBondContact O-N 3.28Å; F436-A438 VanDerWaalsContact C-N 3.3Å; F436-A438 PolarHBondContact O-N 3.45Å; F436-R439 PolarHBondContact O-N 2.95Å; F436-R439 VanDerWaalsContact O-N 3.1Å; F436-H440 AromaticContact CD1-CD2 3.76Å; F436-H440 AromaticContact CD2-CD2 3.69Å; F436-H440 AromaticContact CD2-NE2 3.85Å; F436-H440 AromaticContact CE1-CD2 3.42Å; F436-H440 VanDerWaalsContact CE1-CD2 3.42Å; F436-H440 WeakPolarHBondContact CE1-CD2 3.29Å; F436-H440 AromaticContact CE1-CG 3.96Å; F436-H440 AromaticContact CE1-NE2 3.82Å; F436-H440 AromaticContact CE2-CD2 3.36Å; F436-H440 WeakPolarHBondContact CE2-CD2 3.34Å; F436-H440 AromaticContact CE2-NE2 3.1Å; F436-H440 WeakPolarHBondContact CE2-NE2 3.28Å; F436-H440 AromaticContact CG-CD2 3.89Å; F436-H440 AromaticContact CZ-CD2 3.21Å; F436-H440 WeakPolarHBondContact CZ-CD2 3.3Å; F436-H440 AromaticContact CZ-CE1 3.77Å; F436-H440 AromaticContact CZ-CG 4Å; F436-H440 AromaticContact CZ-NE2 3.09Å; F436-H440 WeakPolarHBondContact CZ-NE2 3.26Å; F436-H440 PolarHBondContact O-CD2 3.27Å; F436-H440 PolarHBondContact O-N 3.21Å
437L91.3Very high86.4Confident94 Ų94101.3 Ų101.349%0.49253%0.526SS..Hα-helixtrans-59-39.7177.7-67.1174.9000112.3I431 D433 S441I431-L437 WeakPolarHBondContact O-CD2 3.43Å; D433-L437 PolarHBondContact O-N 2.92Å; L437-S441 VanDerWaalsContact O-CB 3.3Å; L437-S441 WeakPolarHBondContact O-CB 3.38Å; L437-S441 PolarHBondContact O-N 3.12Å; L437-S441 PolarHBondContact O-OG 3.43Å
438A91.2Very high88Confident57 Ų5798.1 Ų98.147%0.47151%0.513SS..Hα-helixtrans-66.7-38.3175.900000112.8P434 F436 S441 R442P434-A438 VanDerWaalsContact O-CB 3.26Å; P434-A438 WeakPolarHBondContact O-CB 3.2Å; P434-A438 PolarHBondContact O-N 3.49Å; F436-A438 VanDerWaalsContact C-N 3.3Å; F436-A438 PolarHBondContact O-N 3.45Å; A438-S441 WeakPolarHBondContact CA-OG 3.26Å; A438-S441 PolarHBondContact O-OG 3.02Å; A438-S441 VanDerWaalsContact O-OG 3.11Å; A438-R442 WeakPolarHBondContact O-CB 3.37Å; A438-R442 PolarHBondContact O-N 3.43Å; A438-R442 VanDerWaalsContact O-N 3.16Å
439R91Very high89.3Confident123 Ų12396.1 Ų96.146%0.46449%0.494SS..Hα-helixtrans-67.5-46.3174.6-72.6-171.4-52.4-92.77.2111.2A435 F436 R442 L443A435-R439 WeakPolarHBondContact O-CG 3.39Å; A435-R439 PolarHBondContact O-N 3.34Å; A435-R439 PolarHBondContact O-NH1 3.25Å; F436-R439 PolarHBondContact O-N 2.95Å; F436-R439 VanDerWaalsContact O-N 3.1Å; R439-R442 PolarHBondContact O-N 3.18Å; R439-L443 WeakPolarHBondContact O-CG 3.41Å; R439-L443 PolarHBondContact O-N 3.22Å
440H91.6Very high90.6Very high89 Ų8996.6 Ų96.641%0.41250%0.496SS..Hα-helixtrans-65.4-46.3-179.7-88.3-88.8000112.6F436 R442 L443 E444F436-H440 AromaticContact CD1-CD2 3.76Å; F436-H440 AromaticContact CD2-CD2 3.69Å; F436-H440 AromaticContact CD2-NE2 3.85Å; F436-H440 AromaticContact CE1-CD2 3.42Å; F436-H440 VanDerWaalsContact CE1-CD2 3.42Å; F436-H440 WeakPolarHBondContact CE1-CD2 3.29Å; F436-H440 AromaticContact CE1-CG 3.96Å; F436-H440 AromaticContact CE1-NE2 3.82Å; F436-H440 AromaticContact CE2-CD2 3.36Å; F436-H440 WeakPolarHBondContact CE2-CD2 3.34Å; F436-H440 AromaticContact CE2-NE2 3.1Å; F436-H440 WeakPolarHBondContact CE2-NE2 3.28Å; F436-H440 AromaticContact CG-CD2 3.89Å; F436-H440 AromaticContact CZ-CD2 3.21Å; F436-H440 WeakPolarHBondContact CZ-CD2 3.3Å; F436-H440 AromaticContact CZ-CE1 3.77Å; F436-H440 AromaticContact CZ-CG 4Å; F436-H440 AromaticContact CZ-NE2 3.09Å; F436-H440 WeakPolarHBondContact CZ-NE2 3.26Å; F436-H440 PolarHBondContact O-CD2 3.27Å; F436-H440 PolarHBondContact O-N 3.21Å; H440-R442 VanDerWaalsContact C-N 3.27Å; H440-R442 PolarHBondContact O-N 3.31Å; H440-L443 PolarHBondContact O-N 3.36Å; H440-L443 VanDerWaalsContact O-N 3.11Å; H440-E444 PolarHBondContact O-N 2.99Å
441S91.1Very high91.4Very high53 Ų5396 Ų9637%0.37149%0.49SS..Hα-helixtrans-60.7-36.4174.754.90000112.4L437 A438 I445L437-S441 VanDerWaalsContact O-CB 3.3Å; L437-S441 WeakPolarHBondContact O-CB 3.38Å; L437-S441 PolarHBondContact O-N 3.12Å; L437-S441 PolarHBondContact O-OG 3.43Å; A438-S441 WeakPolarHBondContact CA-OG 3.26Å; A438-S441 PolarHBondContact O-OG 3.02Å; A438-S441 VanDerWaalsContact O-OG 3.11Å; S441-I445 WeakPolarHBondContact O-CD1 3.4Å; S441-I445 WeakPolarHBondContact O-CG1 3.36Å; S441-I445 PolarHBondContact O-N 3.15Å
442R94Very high92.1Very high195 Ų19598.3 Ų98.374%0.73649%0.491SS*.Hα-helixtrans-65.9-41.1173.8-177.2177.8175.9-176.9-1.8112.3A438 R439 H440 E446A438-R442 WeakPolarHBondContact O-CB 3.37Å; A438-R442 PolarHBondContact O-N 3.43Å; A438-R442 VanDerWaalsContact O-N 3.16Å; R439-R442 PolarHBondContact O-N 3.18Å; H440-R442 VanDerWaalsContact C-N 3.27Å; H440-R442 PolarHBondContact O-N 3.31Å; R442-E446 WeakPolarHBondContact O-CB 3.4Å; R442-E446 PolarHBondContact O-N 3.12Å
443L93.7Very high92.7Very high113 Ų11397.7 Ų97.759%0.59248%0.48SS*.Hα-helixtrans-65-43.7176.7-73.2172.5000111.3R439 H440 I445 E446 E447R439-L443 WeakPolarHBondContact O-CG 3.41Å; R439-L443 PolarHBondContact O-N 3.22Å; H440-L443 PolarHBondContact O-N 3.36Å; H440-L443 VanDerWaalsContact O-N 3.11Å; L443-I445 PolarHBondContact O-N 3.49Å; L443-E446 PolarHBondContact O-N 3.44Å; L443-E447 WeakPolarHBondContact O-CB 3.16Å; L443-E447 PolarHBondContact O-N 3.3Å
444E92.6Very high93Very high128 Ų12897.9 Ų97.960%0.59849%0.486SS*.Hα-helixtrans-59.9-45.8176.1-174.9-177.8-174.100111.7H440 E446 E447 V448H440-E444 PolarHBondContact O-N 2.99Å; E444-E446 VanDerWaalsContact C-N 3.31Å; E444-E446 PolarHBondContact O-N 2.97Å; E444-E447 PolarHBondContact O-N 2.89Å; E444-V448 WeakPolarHBondContact O-CG2 3.46Å; E444-V448 PolarHBondContact O-N 2.86Å
445I94.4Very high93.2Very high113 Ų113100.7 Ų100.758%0.57948%0.484SS*.Hα-helixtrans-62-40.1176.3-68.8165.4000111.3S441 L443 R449S441-I445 WeakPolarHBondContact O-CD1 3.4Å; S441-I445 WeakPolarHBondContact O-CG1 3.36Å; S441-I445 PolarHBondContact O-N 3.15Å; L443-I445 PolarHBondContact O-N 3.49Å; I445-R449 WeakPolarHBondContact O-CB 3.49Å; I445-R449 PolarHBondContact O-N 2.97Å
446E93.9Very high93.5Very high71 Ų71103.1 Ų103.133%0.33249%0.487SS..Hα-helixtrans-71.1-36.3179.5-163.458.6-146.400111.4R442 L443 E444 R449 H450R442-E446 WeakPolarHBondContact O-CB 3.4Å; R442-E446 PolarHBondContact O-N 3.12Å; L443-E446 PolarHBondContact O-N 3.44Å; E444-E446 VanDerWaalsContact C-N 3.31Å; E444-E446 PolarHBondContact O-N 2.97Å; E446-R449 WeakPolarHBondContact O-CB 3.4Å; E446-R449 PolarHBondContact O-N 3.18Å; E446-R449 WeakPolarHBondContact OE1-CD 3.4Å; E446-R449 IonicContact OE2-NH1 3.05Å; E446-R449 PolarHBondContact OE2-NH1 3.43Å; E446-H450 PolarHBondContact O-CD2 2.98Å; E446-H450 PolarHBondContact O-N 2.98Å; E446-H450 IonicContact OE1-CD2 3.92Å; E446-H450 IonicContact OE1-NE2 3.71Å
447E93.1Very high93.7Very high141 Ų141109.9 Ų109.966%0.65951%0.512SS*.Hα-helixtrans-62.2-48.7172.8-175.1173.5-170.500111.5L443 E444 R449 H450 E451L443-E447 WeakPolarHBondContact O-CB 3.16Å; L443-E447 PolarHBondContact O-N 3.3Å; E444-E447 PolarHBondContact O-N 2.89Å; E447-R449 VanDerWaalsContact C-N 3.25Å; E447-R449 PolarHBondContact O-N 3.35Å; E447-H450 PolarHBondContact O-N 3.18Å; E447-H450 VanDerWaalsContact O-N 3.12Å; E447-E451 PolarHBondContact O-N 3.29Å
448V93.6Very high93.9Very high85 Ų85109.1 Ų109.152%0.51551%0.512SS..Hα-helixtrans-59.7-37.8175.1172.20000111.2E444 R452E444-V448 WeakPolarHBondContact O-CG2 3.46Å; E444-V448 PolarHBondContact O-N 2.86Å; V448-R452 WeakPolarHBondContact O-CB 3.38Å; V448-R452 PolarHBondContact O-N 3.27Å
449R95.8Very high94.1Very high107 Ų107109 Ų10940%0.40451%0.511SS..Hα-helixtrans-65.1-46.3174.8174.9-175-99153.8-6.4111.3I445 E446 E447 R452 L453I445-R449 WeakPolarHBondContact O-CB 3.49Å; I445-R449 PolarHBondContact O-N 2.97Å; E446-R449 WeakPolarHBondContact O-CB 3.4Å; E446-R449 PolarHBondContact O-N 3.18Å; E446-R449 WeakPolarHBondContact OE1-CD 3.4Å; E446-R449 IonicContact OE2-NH1 3.05Å; E446-R449 PolarHBondContact OE2-NH1 3.43Å; E447-R449 VanDerWaalsContact C-N 3.25Å; E447-R449 PolarHBondContact O-N 3.35Å; R449-R452 PolarHBondContact O-N 3.39Å; R449-L453 HydrophobicContact CG-CD1 4.14Å; R449-L453 WeakPolarHBondContact O-CG 3.37Å; R449-L453 PolarHBondContact O-N 3.25Å
450H95.8Very high94.4Very high116 Ų116108.2 Ų108.254%0.53751%0.512SS..Hα-helixtrans-61.6-44.2177.7-82.9-64000111.7E446 E447 R452 L453 S454E446-H450 PolarHBondContact O-CD2 2.98Å; E446-H450 PolarHBondContact O-N 2.98Å; E446-H450 IonicContact OE1-CD2 3.92Å; E446-H450 IonicContact OE1-NE2 3.71Å; E447-H450 PolarHBondContact O-N 3.18Å; E447-H450 VanDerWaalsContact O-N 3.12Å; H450-R452 PolarHBondContact O-N 2.62Å; H450-L453 PolarHBondContact O-N 3.1Å; H450-S454 WeakPolarHBondContact O-CB 3.4Å; H450-S454 PolarHBondContact O-N 3.39Å
451E94.3Very high94.6Very high94 Ų94110.5 Ų110.544%0.43952%0.523SS..Hα-helixtrans-60.6-46.5176.2-172.3-176-161.200111.2E447 L453 S454 R455E447-E451 PolarHBondContact O-N 3.29Å; E451-L453 PolarHBondContact O-N 3.42Å; E451-S454 WeakPolarHBondContact O-CB 3.47Å; E451-S454 PolarHBondContact O-N 3.42Å; E451-R455 VanDerWaalsContact CD-NH2 3.34Å; E451-R455 WeakPolarHBondContact O-CG 3.42Å; E451-R455 PolarHBondContact O-N 3.05Å; E451-R455 IonicContact OE1-CZ 3.25Å; E451-R455 VanDerWaalsContact OE1-CZ 3.25Å; E451-R455 IonicContact OE1-NE 3.27Å; E451-R455 PolarHBondContact OE1-NE 2.98Å; E451-R455 IonicContact OE1-NH2 2.62Å; E451-R455 PolarHBondContact OE1-NH2 2.85Å; E451-R455 IonicContact OE2-NH2 3.57Å
452R95.9Very high94.9Very high164 Ų164112 Ų11262%0.61952%0.524SS*.Hα-helixtrans-60.1-44.7177.7-174.1178.5-175.7176.73.4112.3V448 R449 H450 S454 Q456V448-R452 WeakPolarHBondContact O-CB 3.38Å; V448-R452 PolarHBondContact O-N 3.27Å; R449-R452 PolarHBondContact O-N 3.39Å; H450-R452 PolarHBondContact O-N 2.62Å; R452-S454 VanDerWaalsContact C-N 3.33Å; R452-Q456 WeakPolarHBondContact O-CB 3.34Å; R452-Q456 PolarHBondContact O-N 3.12Å
453L95.3Very high95Very high75 Ų75107.5 Ų107.539%0.39351%0.514SS..Hα-helixtrans-65.7-37.1176.6-73.2172.8000111.8R449 H450 E451 Q456 R457R449-L453 HydrophobicContact CG-CD1 4.14Å; R449-L453 WeakPolarHBondContact O-CG 3.37Å; R449-L453 PolarHBondContact O-N 3.25Å; H450-L453 PolarHBondContact O-N 3.1Å; E451-L453 PolarHBondContact O-N 3.42Å; L453-Q456 PolarHBondContact O-N 3.28Å; L453-R457 WeakPolarHBondContact O-CG 3.38Å; L453-R457 PolarHBondContact O-N 3.28Å
454S95Very high95.2Very high66 Ų66109.3 Ų109.346%0.46252%0.517SS..Hα-helixtrans-61.8-52.9175.2-172.80000111H450 E451 R452 Q456 R457 T458H450-S454 WeakPolarHBondContact O-CB 3.4Å; H450-S454 PolarHBondContact O-N 3.39Å; E451-S454 WeakPolarHBondContact O-CB 3.47Å; E451-S454 PolarHBondContact O-N 3.42Å; R452-S454 VanDerWaalsContact C-N 3.33Å; S454-Q456 VanDerWaalsContact C-N 3.28Å; S454-Q456 PolarHBondContact O-N 3.31Å; S454-R457 PolarHBondContact O-N 2.82Å; S454-R457 VanDerWaalsContact O-N 3.12Å; S454-T458 PolarHBondContact O-N 3.5Å; S454-T458 PolarHBondContact O-OG1 3.4Å
455R94.3Very high95.3Very high160 Ų160108.4 Ų108.460%0.60451%0.513SS*.Hα-helixtrans-57.6-40.3176.3-67.8176.3-176.9-1681.2112.1E451 T458 A459E451-R455 VanDerWaalsContact CD-NH2 3.34Å; E451-R455 WeakPolarHBondContact O-CG 3.42Å; E451-R455 PolarHBondContact O-N 3.05Å; E451-R455 IonicContact OE1-CZ 3.25Å; E451-R455 VanDerWaalsContact OE1-CZ 3.25Å; E451-R455 IonicContact OE1-NE 3.27Å; E451-R455 PolarHBondContact OE1-NE 2.98Å; E451-R455 IonicContact OE1-NH2 2.62Å; E451-R455 PolarHBondContact OE1-NH2 2.85Å; E451-R455 IonicContact OE2-NH2 3.57Å; R455-T458 PolarHBondContact O-N 3.11Å; R455-A459 WeakPolarHBondContact O-CB 3.4Å; R455-A459 PolarHBondContact O-N 3.3Å
456Q95.4Very high95.4Very high96 Ų96109.7 Ų109.745%0.44951%0.511SS..Hα-helixtrans-62-48.1175.7-178.6-179.4-10.700111.7R452 L453 S454 T458 A459 E460R452-Q456 WeakPolarHBondContact O-CB 3.34Å; R452-Q456 PolarHBondContact O-N 3.12Å; L453-Q456 PolarHBondContact O-N 3.28Å; S454-Q456 VanDerWaalsContact C-N 3.28Å; S454-Q456 PolarHBondContact O-N 3.31Å; Q456-T458 VanDerWaalsContact C-N 3.33Å; Q456-T458 PolarHBondContact O-N 2.85Å; Q456-A459 PolarHBondContact O-N 2.96Å; Q456-E460 HydrophobicContact CG-CG 4.49Å; Q456-E460 WeakPolarHBondContact CG-OE1 3.45Å; Q456-E460 PolarHBondContact NE2-OE1 3.48Å; Q456-E460 WeakPolarHBondContact O-CG 3.38Å; Q456-E460 PolarHBondContact O-N 3.23Å
457R94.6Very high95.5Very high167 Ų167110.3 Ų110.363%0.6352%0.516SS*.Hα-helixtrans-60.5-41.9177.5-75-179.2-169156.52.8112L453 S454 E460 Q461L453-R457 WeakPolarHBondContact O-CG 3.38Å; L453-R457 PolarHBondContact O-N 3.28Å; S454-R457 PolarHBondContact O-N 2.82Å; S454-R457 VanDerWaalsContact O-N 3.12Å; R457-E460 PolarHBondContact O-N 3.11Å; R457-Q461 WeakPolarHBondContact O-CG 3.36Å; R457-Q461 PolarHBondContact O-N 2.88Å
458T95.6Very high95.5Very high79 Ų79109.2 Ų109.249%0.48551%0.511SS..Hα-helixtrans-61.6-46176.7-550000111.2S454 R455 Q456 E460 Q461 E462S454-T458 PolarHBondContact O-N 3.5Å; S454-T458 PolarHBondContact O-OG1 3.4Å; R455-T458 PolarHBondContact O-N 3.11Å; Q456-T458 VanDerWaalsContact C-N 3.33Å; Q456-T458 PolarHBondContact O-N 2.85Å; T458-E460 VanDerWaalsContact C-N 3.33Å; T458-E460 PolarHBondContact O-N 3.3Å; T458-Q461 PolarHBondContact O-N 3.18Å; T458-E462 WeakPolarHBondContact O-CB 3.4Å; T458-E462 PolarHBondContact O-N 3.06Å
459A95.3Very high95.5Very high54 Ų54110.2 Ų110.245%0.44651%0.51SS..Hα-helixtrans-63.3-37.8177.200000112.6R455 Q456 L463R455-A459 WeakPolarHBondContact O-CB 3.4Å; R455-A459 PolarHBondContact O-N 3.3Å; Q456-A459 PolarHBondContact O-N 2.96Å; A459-L463 WeakPolarHBondContact O-CB 3.34Å; A459-L463 PolarHBondContact O-N 3.19Å
460E96.7Very high95.4Very high106 Ų106113.5 Ų113.550%0.49552%0.522SS..Hα-helixtrans-66.9-40.6175.1-74.7173.7-171.500112.2Q456 R457 T458 L463 K464Q456-E460 HydrophobicContact CG-CG 4.49Å; Q456-E460 WeakPolarHBondContact CG-OE1 3.45Å; Q456-E460 PolarHBondContact NE2-OE1 3.48Å; Q456-E460 WeakPolarHBondContact O-CG 3.38Å; Q456-E460 PolarHBondContact O-N 3.23Å; R457-E460 PolarHBondContact O-N 3.11Å; T458-E460 VanDerWaalsContact C-N 3.33Å; T458-E460 PolarHBondContact O-N 3.3Å; E460-L463 PolarHBondContact O-N 2.85Å; E460-K464 WeakPolarHBondContact O-CB 3.46Å; E460-K464 PolarHBondContact O-N 3.03Å
461Q96.8Very high95.2Very high138 Ų138113.3 Ų113.365%0.64553%0.525SS*.Hα-helixtrans-64.5-44175.1-76.1-179.7-1700111.9R457 T458 K464 Q465R457-Q461 WeakPolarHBondContact O-CG 3.36Å; R457-Q461 PolarHBondContact O-N 2.88Å; T458-Q461 PolarHBondContact O-N 3.18Å; Q461-K464 PolarHBondContact O-N 3.38Å; Q461-Q465 PolarHBondContact O-N 3.43Å
462E96.1Very high95Very high83 Ų83113.2 Ų113.239%0.38853%0.525SS..Hα-helixtrans-63-42.1176.7-170.6-172.2165.600111.6T458 Q465 R466T458-E462 WeakPolarHBondContact O-CB 3.4Å; T458-E462 PolarHBondContact O-N 3.06Å; E462-Q465 PolarHBondContact O-N 3.37Å; E462-R466 VanDerWaalsContact CD-NH1 3.28Å; E462-R466 WeakPolarHBondContact O-CG 3.48Å; E462-R466 PolarHBondContact O-N 3.32Å; E462-R466 IonicContact OE1-CZ 2.97Å; E462-R466 IonicContact OE1-NH1 2.74Å; E462-R466 PolarHBondContact OE1-NH1 3.16Å; E462-R466 IonicContact OE1-NH2 2.62Å; E462-R466 PolarHBondContact OE1-NH2 3.11Å
463L97.2Very high94.6Very high102 Ų102107.7 Ų107.753%0.53451%0.514SS..Hα-helixtrans-63.3-44174.417962.1000111.7A459 E460 Q465 R466 L467A459-L463 WeakPolarHBondContact O-CB 3.34Å; A459-L463 PolarHBondContact O-N 3.19Å; E460-L463 PolarHBondContact O-N 2.85Å; L463-Q465 VanDerWaalsContact C-N 3.35Å; L463-Q465 PolarHBondContact O-N 2.89Å; L463-R466 PolarHBondContact O-N 3.47Å; L463-L467 HydrophobicContact CD1-CD1 4.41Å; L463-L467 HydrophobicContact CD1-CG 4.37Å; L463-L467 HydrophobicContact CG-CD1 4.25Å; L463-L467 WeakPolarHBondContact O-CG 3.22Å; L463-L467 PolarHBondContact O-N 2.97Å
464K96.9Very high94.2Very high150 Ų150105.8 Ų105.865%0.65251%0.507SS*.Hα-helixtrans-59.3-46.5176.8-176.9-177.7175.9-174.40111E460 Q461 L467 E468E460-K464 WeakPolarHBondContact O-CB 3.46Å; E460-K464 PolarHBondContact O-N 3.03Å; Q461-K464 PolarHBondContact O-N 3.38Å; K464-L467 PolarHBondContact O-N 3.11Å; K464-E468 PolarHBondContact O-N 3.33Å
465Q95.5Very high93.5Very high109 Ų109109.4 Ų109.451%0.50951%0.511SS..Hα-helixtrans-59.7-48177.1-178.5-178.7-4.400111.5Q461 E462 L463 L467 E468 E469Q461-Q465 PolarHBondContact O-N 3.43Å; E462-Q465 PolarHBondContact O-N 3.37Å; L463-Q465 VanDerWaalsContact C-N 3.35Å; L463-Q465 PolarHBondContact O-N 2.89Å; Q465-L467 VanDerWaalsContact C-N 3.3Å; Q465-L467 PolarHBondContact O-N 3.31Å; Q465-E468 PolarHBondContact O-N 2.75Å; Q465-E469 HydrophobicContact CG-CG 4.45Å; Q465-E469 WeakPolarHBondContact CG-OE1 3.41Å; Q465-E469 PolarHBondContact NE2-OE1 2.94Å; Q465-E469 WeakPolarHBondContact O-CG 3.44Å; Q465-E469 PolarHBondContact O-N 2.89Å
466R95.7Very high92.8Very high141 Ų141107.3 Ų107.353%0.53251%0.508SS..Hα-helixtrans-60.4-38.4177.6-75.5-176.8175123.33.6113E462 L463 R470E462-R466 VanDerWaalsContact CD-NH1 3.28Å; E462-R466 WeakPolarHBondContact O-CG 3.48Å; E462-R466 PolarHBondContact O-N 3.32Å; E462-R466 IonicContact OE1-CZ 2.97Å; E462-R466 IonicContact OE1-NH1 2.74Å; E462-R466 PolarHBondContact OE1-NH1 3.16Å; E462-R466 IonicContact OE1-NH2 2.62Å; E462-R466 PolarHBondContact OE1-NH2 3.11Å; L463-R466 PolarHBondContact O-N 3.47Å; R466-R470 VanDerWaalsContact O-CB 3.3Å; R466-R470 WeakPolarHBondContact O-CB 3.43Å; R466-R470 PolarHBondContact O-N 3.06Å
467L95.5Very high92.2Very high84 Ų84111.5 Ų111.544%0.4453%0.525SS..Hα-helixtrans-67.4-41176.6-73.7174.3000111.5L463 K464 Q465 R470 D471L463-L467 HydrophobicContact CD1-CD1 4.41Å; L463-L467 HydrophobicContact CD1-CG 4.37Å; L463-L467 HydrophobicContact CG-CD1 4.25Å; L463-L467 WeakPolarHBondContact O-CG 3.22Å; L463-L467 PolarHBondContact O-N 2.97Å; K464-L467 PolarHBondContact O-N 3.11Å; Q465-L467 VanDerWaalsContact C-N 3.3Å; Q465-L467 PolarHBondContact O-N 3.31Å; L467-R470 PolarHBondContact O-N 3.3Å; L467-D471 WeakPolarHBondContact O-CB 3.3Å; L467-D471 PolarHBondContact O-N 3.01Å
468E95.1Very high91.3Very high117 Ų117112.6 Ų112.655%0.54753%0.529SS..Hα-helixtrans-63.5-45.9174.7-174.9173.2178.400111.6K464 Q465 R470 D471 Q472K464-E468 PolarHBondContact O-N 3.33Å; Q465-E468 PolarHBondContact O-N 2.75Å; E468-R470 VanDerWaalsContact C-N 3.33Å; E468-R470 PolarHBondContact O-N 3.42Å; E468-D471 PolarHBondContact O-N 3.4Å; E468-Q472 WeakPolarHBondContact O-CB 3.48Å; E468-Q472 VanDerWaalsContact O-CG 3.26Å; E468-Q472 WeakPolarHBondContact O-CG 3.26Å; E468-Q472 PolarHBondContact O-N 2.97Å
469E93Very high90.1Very high106 Ų106112.9 Ų112.950%0.49552%0.524SS..Hα-helixtrans-60.3-41.5174.7-73.6171.8-173.400112Q465 A473Q465-E469 HydrophobicContact CG-CG 4.45Å; Q465-E469 WeakPolarHBondContact CG-OE1 3.41Å; Q465-E469 PolarHBondContact NE2-OE1 2.94Å; Q465-E469 WeakPolarHBondContact O-CG 3.44Å; Q465-E469 PolarHBondContact O-N 2.89Å; E469-A473 VanDerWaalsContact O-CB 3.28Å; E469-A473 WeakPolarHBondContact O-CB 3.32Å; E469-A473 PolarHBondContact O-N 2.88Å
470R93.2Very high88.6Confident176 Ų176115.2 Ų115.266%0.66454%0.535SS*.Hα-helixtrans-66.9-40.2176.6-171-176.370.21461.6111.8R466 L467 E468 A473 S474R466-R470 VanDerWaalsContact O-CB 3.3Å; R466-R470 WeakPolarHBondContact O-CB 3.43Å; R466-R470 PolarHBondContact O-N 3.06Å; L467-R470 PolarHBondContact O-N 3.3Å; E468-R470 VanDerWaalsContact C-N 3.33Å; E468-R470 PolarHBondContact O-N 3.42Å; R470-A473 PolarHBondContact O-N 3Å; R470-S474 WeakPolarHBondContact O-CB 3.48Å; R470-S474 PolarHBondContact O-N 3.1Å
471D92.3Very high86.7Confident112 Ų112114 Ų11460%0.59955%0.551SS**Hα-helixtrans-67.7-44.1177.5-166.352.7000110.8L467 E468 A473 S474 W475L467-D471 WeakPolarHBondContact O-CB 3.3Å; L467-D471 PolarHBondContact O-N 3.01Å; E468-D471 PolarHBondContact O-N 3.4Å; D471-A473 PolarHBondContact O-N 3.1Å; D471-S474 CarbonylContact O-C 3.59Å; D471-S474 PolarHBondContact O-N 3Å; D471-W475 VanDerWaalsContact O-CB 3.29Å; D471-W475 WeakPolarHBondContact O-CB 3.32Å; D471-W475 PolarHBondContact O-N 2.95Å
472Q89Confident84.4Confident92 Ų92117 Ų11743%0.4356%0.556SS.*Hα-helixtrans-56.1-50.3170.8-74.1-70.8-14.800111.3E468 S474 W475 H476E468-Q472 WeakPolarHBondContact O-CB 3.48Å; E468-Q472 VanDerWaalsContact O-CG 3.26Å; E468-Q472 WeakPolarHBondContact O-CG 3.26Å; E468-Q472 PolarHBondContact O-N 2.97Å; Q472-S474 VanDerWaalsContact C-N 3.31Å; Q472-S474 PolarHBondContact O-N 3.1Å; Q472-W475 PolarHBondContact O-N 3.04Å; Q472-H476 PolarHBondContact O-N 3.47Å; Q472-H476 PolarHBondContact O-ND1 2.96Å
473A87.2Confident82.5Confident48 Ų48119.5 Ų119.540%0.39757%0.572SS.*Hα-helixtrans-63.3-36.4177.900000112.4E469 R470 D471 K477E469-A473 VanDerWaalsContact O-CB 3.28Å; E469-A473 WeakPolarHBondContact O-CB 3.32Å; E469-A473 PolarHBondContact O-N 2.88Å; R470-A473 PolarHBondContact O-N 3Å; D471-A473 PolarHBondContact O-N 3.1Å; A473-K477 VanDerWaalsContact O-CG 3.3Å; A473-K477 WeakPolarHBondContact O-CG 3.47Å; A473-K477 PolarHBondContact O-N 3.34Å; A473-K477 VanDerWaalsContact O-N 3.13Å
474S86.9Confident80.5Confident36 Ų36117.2 Ų117.225%0.25256%0.56SS.*Hα-helixtrans-67.5-43.1174.1-164.30000111.2R470 D471 Q472 K477 R478R470-S474 WeakPolarHBondContact O-CB 3.48Å; R470-S474 PolarHBondContact O-N 3.1Å; D471-S474 CarbonylContact O-C 3.59Å; D471-S474 PolarHBondContact O-N 3Å; Q472-S474 VanDerWaalsContact C-N 3.31Å; Q472-S474 PolarHBondContact O-N 3.1Å; S474-K477 PolarHBondContact O-N 3.13Å; S474-R478 WeakPolarHBondContact O-CB 3.1Å; S474-R478 VanDerWaalsContact O-CG 3.26Å; S474-R478 WeakPolarHBondContact O-CG 3.09Å; S474-R478 PolarHBondContact O-N 2.97Å; S474-R478 PolarHBondContact OG-NE 3.4Å; S474-R478 PolarHBondContact OG-NH2 2.85Å
475W81.6Confident78.6Confident141 Ų141114.2 Ų114.253%0.53456%0.556SS.*Hα-helixtrans-62.2-43.9178-17587.2000111.5D471 Q472 K477 R478 Q479D471-W475 VanDerWaalsContact O-CB 3.29Å; D471-W475 WeakPolarHBondContact O-CB 3.32Å; D471-W475 PolarHBondContact O-N 2.95Å; Q472-W475 PolarHBondContact O-N 3.04Å; W475-K477 PolarHBondContact O-N 3.32Å; W475-R478 PolarHBondContact O-N 3.43Å; W475-Q479 HydrophobicContact CE3-CG 4.36Å; W475-Q479 HydrophobicContact CH2-CG 4.5Å; W475-Q479 VanDerWaalsContact CZ2-NE2 3.31Å; W475-Q479 HydrophobicContact CZ3-CG 4.28Å; W475-Q479 WeakPolarHBondContact O-CG 3.35Å; W475-Q479 PolarHBondContact O-N 3.17Å; W475-Q479 PolarHBondContact O-NE2 3.25Å
476H79.4Confident76.8Confident117 Ų117114.4 Ų114.454%0.54256%0.56SS.*Hα-helixtrans-61.5-40.8173.8-76.181.1000112.2Q472 Q479Q472-H476 PolarHBondContact O-N 3.47Å; Q472-H476 PolarHBondContact O-ND1 2.96Å; H476-Q479 WeakPolarHBondContact O-CB 3.36Å; H476-Q479 PolarHBondContact O-N 3.05Å
477K82.2Confident74.9Confident184 Ų184114 Ų11480%0.857%0.568SS**Hα-helixtrans-69.6-30176-73.8176.1-178.6-176.50113.7A473 S474 W475 Q479A473-K477 VanDerWaalsContact O-CG 3.3Å; A473-K477 WeakPolarHBondContact O-CG 3.47Å; A473-K477 PolarHBondContact O-N 3.34Å; A473-K477 VanDerWaalsContact O-N 3.13Å; S474-K477 PolarHBondContact O-N 3.13Å; W475-K477 PolarHBondContact O-N 3.32Å; K477-Q479 VanDerWaalsContact C-N 3.35Å
478R77.1Confident73.1Confident190 Ų190118.3 Ų118.372%0.71758%0.583SS**Hα-helixtrans-83-13.4177.1-71176.7-162-153.24.6112.8S474 W475 P480S474-R478 WeakPolarHBondContact O-CB 3.1Å; S474-R478 VanDerWaalsContact O-CG 3.26Å; S474-R478 WeakPolarHBondContact O-CG 3.09Å; S474-R478 PolarHBondContact O-N 2.97Å; S474-R478 PolarHBondContact OG-NE 3.4Å; S474-R478 PolarHBondContact OG-NH2 2.85Å; W475-R478 PolarHBondContact O-N 3.43Å; R478-P480 WeakPolarHBondContact O-CD 3.21Å
479Q69.1Low71.1Confident84 Ų84118.4 Ų118.439%0.39358%0.579SS.*SBendtrans-55.6118.6167.7-65.9-49.5-61.800106.1W475 H476 K477 G481W475-Q479 HydrophobicContact CE3-CG 4.36Å; W475-Q479 HydrophobicContact CH2-CG 4.5Å; W475-Q479 VanDerWaalsContact CZ2-NE2 3.31Å; W475-Q479 HydrophobicContact CZ3-CG 4.28Å; W475-Q479 WeakPolarHBondContact O-CG 3.35Å; W475-Q479 PolarHBondContact O-N 3.17Å; W475-Q479 PolarHBondContact O-NE2 3.25Å; H476-Q479 WeakPolarHBondContact O-CB 3.36Å; H476-Q479 PolarHBondContact O-N 3.05Å; K477-Q479 VanDerWaalsContact C-N 3.35Å; Q479-G481 PolarHBondContact O-N 2.99Å
480P63.6Low69.4Low104 Ų104122.1 Ų122.168%0.67559%0.588SS**  trans-49.4134.2165.3-17.729.3000105.3R478 R482R478-P480 WeakPolarHBondContact O-CD 3.21Å; P480-R482 PolarHBondContact O-N 3.04Å
481G57.6Low67.6Low80 Ų80118.8 Ų118.883%0.82559%0.589SS**  trans-61.269.4169.900000109.6Q479 L483Q479-G481 PolarHBondContact O-N 2.99Å; G481-L483 PolarHBondContact O-N 2.77Å
482R49.2Very low66.1Low201 Ų201117.4 Ų117.476%0.75859%0.594SS**  trans-74.969.4160.3-121.7-174.2-174.6-149.13.2103.7P480 D484P480-R482 PolarHBondContact O-N 3.04Å; R482-D484 PolarHBondContact O-N 3.28Å
483L55.3Low64.8Low136 Ų136117 Ų11771%0.71260%0.601SS**  -45.695.2124.6-103.3149.2000103.2G481 P485G481-L483 PolarHBondContact O-N 2.77Å; L483-P485 WeakPolarHBondContact O-CD 3.38Å
484D54.7Low63.3Low54 Ų54123.2 Ų123.229%0.28961%0.614SS.*  trans-49.2113.8178.9-160.22.9000103.9R482 L486 L487R482-D484 PolarHBondContact O-N 3.28Å; D484-L486 PolarHBondContact O-N 2.75Å; D484-L487 HydrophobicContact CB-CB 3.96Å; D484-L487 HydrophobicContact CB-CD1 3.66Å; D484-L487 HydrophobicContact CB-CG 3.91Å; D484-L487 WeakPolarHBondContact O-CB 3.42Å; D484-L487 PolarHBondContact O-N 3.37Å
485P57.3Low61.8Low86 Ų86127.7 Ų127.756%0.55863%0.632SS**G310 helixtrans-55.6-23.7-177.7-25.234.7000109.6L483 Y489L483-P485 WeakPolarHBondContact O-CD 3.38Å; P485-Y489 WeakPolarHBondContact O-CD2 3.37Å
486L57.6Low60.5Low114 Ų114125.5 Ų125.560%0.59764%0.637SS**G310 helixtrans-78.7-16.8174.2-57.4176000115.6D484 K488 Y489D484-L486 PolarHBondContact O-N 2.75Å; L486-K488 PolarHBondContact O-N 3.26Å; L486-Y489 CarbonylContact O-C 3.03Å; L486-Y489 VanDerWaalsContact O-CA 3.31Å; L486-Y489 WeakPolarHBondContact O-CA 3.21Å; L486-Y489 PolarHBondContact O-N 2.83Å
487L55.5Low59.4Low133 Ų133126.4 Ų126.470%0.69665%0.65SS**G310 helixtrans-66.9-25.2168.9-96.9158.2000111.6D484 Y489D484-L487 HydrophobicContact CB-CB 3.96Å; D484-L487 HydrophobicContact CB-CD1 3.66Å; D484-L487 HydrophobicContact CB-CG 3.91Å; D484-L487 WeakPolarHBondContact O-CB 3.42Å; D484-L487 PolarHBondContact O-N 3.37Å; L487-Y489 VanDerWaalsContact C-N 3.28Å
488K57.7Low58.3Low174 Ų174125.8 Ų125.876%0.75765%0.65SS**G310 helixtrans-73.8-19.3166-71.8-173.4178.2-176.20112.9L486L486-K488 PolarHBondContact O-N 3.26Å
489Y53.8Low57.1Low119 Ų119123.8 Ų123.847%0.46765%0.653SS.*  trans-109.766.1176.9-64.6-85.7000109.8P485 L486 L487 P491P485-Y489 WeakPolarHBondContact O-CD2 3.37Å; L486-Y489 CarbonylContact O-C 3.03Å; L486-Y489 VanDerWaalsContact O-CA 3.31Å; L486-Y489 WeakPolarHBondContact O-CA 3.21Å; L486-Y489 PolarHBondContact O-N 2.83Å; L487-Y489 VanDerWaalsContact C-N 3.28Å; Y489-P491 WeakPolarHBondContact O-CD 3.18Å
490R56.7Low56.1Low184 Ų184126.1 Ų126.169%0.69467%0.668SS**  trans-58.6112.5167.6-146.5-179.1-170.7165.22.8107A492 S493R490-A492 PolarHBondContact O-N 2.94Å; R490-S493 PolarHBondContact O-N 3.44Å; R490-S493 PolarHBondContact O-OG 2.7Å
491P56.6Low55Low106 Ų106130.7 Ų130.769%0.68867%0.674SS**G310 helixtrans-61.5-32.1-176.5-2234.2000111.1Y489 S493 R494 M495Y489-P491 WeakPolarHBondContact O-CD 3.18Å; P491-S493 PolarHBondContact O-N 3.3Å; P491-R494 PolarHBondContact O-N 2.79Å; P491-M495 WeakPolarHBondContact O-CG 3.25Å; P491-M495 PolarHBondContact O-N 3.05Å
492A60.7Low54.6Low83 Ų83133.6 Ų133.669%0.68668%0.675SS**G310 helixtrans-64.5-17.1173.800000114.8R490R490-A492 PolarHBondContact O-N 2.94Å
493S60.4Low54.5Low83 Ų83131.6 Ų131.658%0.5868%0.679SS**G310 helixtrans-97.9-0.3176.274.50000113.7R490 P491R490-S493 PolarHBondContact O-N 3.44Å; R490-S493 PolarHBondContact O-OG 2.7Å; P491-S493 PolarHBondContact O-N 3.3Å
494R55.7Low54.2Low178 Ų178134.1 Ų134.167%0.67268%0.684SS**THydrogen-bonded Turntrans-122.1-12.5176.1-83.1-170.2177.5-163.9-3.2114P491 P496P491-R494 PolarHBondContact O-N 2.79Å; R494-P496 VanDerWaalsContact O-CD 3.27Å; R494-P496 WeakPolarHBondContact O-CD 3.31Å
495M55.2Low53.7Low130 Ų130140.5 Ų140.564%0.6471%0.712SS**SBendtrans-61.1119.2168.8-79.7-66.1-68.200108.4P491 T497P491-M495 WeakPolarHBondContact O-CG 3.25Å; P491-M495 PolarHBondContact O-N 3.05Å; M495-T497 PolarHBondContact O-N 3.39Å
496P55.2Low52.9Low96 Ų96143.7 Ų143.762%0.62376%0.76SS**  trans-57.8113.2170.5-16.629.1000107.3R494 Q498R494-P496 VanDerWaalsContact O-CD 3.27Å; R494-P496 WeakPolarHBondContact O-CD 3.31Å; P496-Q498 PolarHBondContact O-N 3.39Å
497T56.8Low52.7Low135 Ų135145.2 Ų145.283%0.82877%0.768SS**SBendtrans-69.315.3172.20.10000112.3M495M495-T497 PolarHBondContact O-N 3.39Å
498Q57.5Low52.5Low171 Ų171145.8 Ų145.880%0.79977%0.772SS**  trans-117.157.2-178.7-61.9-170.5-4.700110.2P496 N500P496-Q498 PolarHBondContact O-N 3.39Å; Q498-N500 VanDerWaalsContact C-N 3.33Å
499L52.4Low52.2Low149 Ų149144.2 Ų144.278%0.7877%0.773SS**  trans-107.350.8147.5-67.2177.2000107.7
500N48.2Very low52.2Low132 Ų132145.7 Ų145.771%0.70679%0.791SS**  trans-97.190.6169.4-97.2-29.5000108.6Q498Q498-N500 VanDerWaalsContact C-N 3.33Å
501Y41.7Very low51.9Low201 Ų201143.3 Ų143.379%0.78880%0.797SS**  trans20.2101.8142.8-59.2-86.8000117.4
502T48.9Very low51.5Low140 Ų140145.8 Ų145.886%0.85980%0.804SS**  trans-119.463.4146.7470000109.1
503L47.3Very low50.9Low160 Ų160150.3 Ų150.384%0.83881%0.813SS**  trans-102.459.9165.7-160.8100.9000109.2
504K47.4Very low50.2Low189 Ų189155.5 Ų155.582%0.82283%0.831SS**  trans-168.2121.5172.9-75.8-147179.3-170.60104.8
505Q45.8Very low49.7Very low188 Ų188153.6 Ų153.688%0.87984%0.844SS**  cis-150.6142.322.8-80.1159.3-2900108.2
506G40.1Very low49.2Very low152 Ų152155.7 Ų155.7100%1.56786%0.863SS**  trans-98.90145.400000109

Retrieved 506 of 506 residues in 484.9 ms (Link to these results)