A0A087X6L8_POEFO Loading...

REST corepressor 2

May act as a component of a corepressor complex that represses transcription.

AlphaFold DB , UniProt , Accession A0A087X6L8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 606 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M28.8Very low28.2Very low231 Ų231163.2 Ų163.2100%1.13887%0.866SS**  0143.80-76.5179.7167.800108.5
2R28.3Very low28.2Very low230 Ų230158.3 Ų158.387%0.86887%0.866SS**  trans48.5118.8162.7-59.9179.6-1761731.1116.6
3V28Very low28.1Very low125 Ų125154.3 Ų154.376%0.75887%0.867SS**  cis63.697.526.7-166.10000114.7
4L27.1Very low27.8Very low170 Ų170150.7 Ų150.789%0.8986%0.857SS**  trans-141.7117.5144.1-64.1175.8000103.7
5S26.6Very low27.7Very low104 Ų104149.6 Ų149.673%0.72785%0.845SS**  cis80.795.929.9-156.60000114.3
6V25.2Very low27.5Very low138 Ų138154.1 Ų154.184%0.83685%0.847SS**  trans-137.5131.7161.6179.10000106.7
7P31.4Very low28.1Very low122 Ų122151.7 Ų151.779%0.79284%0.84SS**  trans-85.8158-172.333.7-36000113.9
8R27.6Very low27.8Very low248 Ų248150.5 Ų150.594%0.93684%0.842SS**  trans-98.6142.4156.8-80.6178.7166.4170-4.2109.4
9S28.9Very low27.7Very low118 Ų118149.3 Ų149.383%0.82584%0.839SS**  trans-109.4158.1151.961.60000109.6
10L30.1Very low27.5Very low159 Ų159146.9 Ų146.983%0.83283%0.833SS**  trans-94.5159.2179.3-54.995.7000110.9
11T28.3Very low27.4Very low150 Ų150147.9 Ų147.992%0.9284%0.835SS**  -169.9164.5113.619.40000110.1
12A27.8Very low27.3Very low105 Ų105147.7 Ų147.787%0.86882%0.822SS**  trans-134.9148.6-179.300000110.5
13A27.3Very low27.1Very low106 Ų106142.2 Ų142.288%0.87682%0.818SS**  trans-151.6163.3173.100000111
14S24.4Very low26.9Very low104 Ų104141.4 Ų141.473%0.72782%0.818SS**  trans-97.8147.4-162.9-75.30000115
15I26.4Very low26.9Very low134 Ų134140.9 Ų140.969%0.68782%0.815SS**  34.9126.5116.2-49.5173.2000115.3
16Y23.8Very low26.9Very low222 Ų222146.2 Ų146.287%0.87182%0.819SS**  cis-150.5-162.733.5-121.8-24.5000112.1
17P37.7Very low26.9Very low113 Ų113147.5 Ų147.573%0.73482%0.815SS**  trans-99.2171.1-159.642.5-35.7000114.6
18C22.3Very low26.7Very low130 Ų130151.2 Ų151.288%0.87882%0.819SS**  trans-142.4151.5156.2-1550000111.1
19T25.6Very low26.5Very low128 Ų128146.8 Ų146.879%0.78581%0.813SS**  trans-118.4161.1-175.349.30000111.6
20S25Very low26.3Very low101 Ų101145.8 Ų145.871%0.70681%0.806SS**  trans71.1117.6165.8-156.20000117.4
21L25.3Very low26.1Very low167 Ų167149.5 Ų149.587%0.87481%0.809SS**  -149.3146.199.4-137.369.7000111.7
22R25.8Very low25.9Very low228 Ų228148.2 Ų148.286%0.8681%0.805SS**  trans-108.5164.6170.1-84-179165.6-176.1-2.9109.6
23S23.9Very low25.9Very low114 Ų114153.9 Ų153.980%0.79780%0.804SS**  trans102.893.1138-163.80000118.9
24S24.9Very low25.8Very low108 Ų108154.5 Ų154.576%0.75580%0.8SS**  trans-168.1145.2137.6-82.60000108.3
25I26.4Very low25.8Very low160 Ų160157.3 Ų157.382%0.82180%0.8SS**  cis-143.6165.8-6.6-109.4158.1000108.2
26R26Very low25.8Very low216 Ų216156.7 Ų156.782%0.81580%0.798SS**  trans-103.1174.8-178-66.6-176.6-175170.72.4113.2
27H26Very low26Very low165 Ų165152.7 Ų152.776%0.76480%0.801SS**  trans85.8141.3168.9-57.6-91.8000115.3
28K26.6Very low25.5Very low199 Ų199157.5 Ų157.587%0.86580%0.804SS**  cis-121.2165.38-71.7180179.3175.40113.6
29L24.4Very low26Very low155 Ų155157 Ų15781%0.81280%0.799SS**  trans-71.6170.4167.1-79.271.2000109.6
30S23.4Very low26.1Very low97 Ų97161.2 Ų161.268%0.67881%0.807SS**  cis-170.6159.941.9-160.40000115
31R26.1Very low26.3Very low237 Ų237160.3 Ų160.389%0.89481%0.806SS**  trans65.7140.8173.7-62.1175.3175.4171.7-2.9114.8
32C25.2Very low26.5Very low124 Ų124158.5 Ų158.584%0.83880%0.802SS**  cis-113.1163.67.1-71.80000114.1
33R26.8Very low26.6Very low223 Ų223155.5 Ų155.584%0.84280%0.802SS**  trans-87153.5156.8-58.5172.6178.1165.6-2.5106.4
34C25.2Very low26.7Very low119 Ų119159.2 Ų159.280%0.80480%0.804SS**  cis-156174.245.9-78.70000109.7
35F25.1Very low26.8Very low163 Ų163165.8 Ų165.872%0.71581%0.812SS**  cis-166.9138.4-38.5-148.8-92.9000105.8
36N26.5Very low26.8Very low122 Ų122165 Ų16565%0.65281%0.808SS**  trans53.674.3173.1-71.2-20.3000119.3
37C27.8Very low26.9Very low137 Ų137159.4 Ų159.493%0.92681%0.808SS**  -81.8130.8127.6-64.20000108
38R26.8Very low26.9Very low214 Ų214160.9 Ų160.981%0.80881%0.813SS**  trans-130.6137.6165.7-91.5-167.3171.7-142.1-0.4110
39P32Very low27.1Very low119 Ų119163.5 Ų163.577%0.77382%0.817SS**  trans-78.1132.1-177.131.2-34.1000111.4A41P39-A41 PolarHBondContact O-N 2.93Å; P39-A41 VanDerWaalsContact O-N 3.09Å
40F27.7Very low27.2Very low217 Ų217159.1 Ų159.195%0.95281%0.81SS**  trans-80.486.5171-106.7-89.6000110.7
41A30.9Very low27.6Very low83 Ų83167 Ų16769%0.68682%0.824SS**  trans-140.872.317600000111.3P39P39-A41 PolarHBondContact O-N 2.93Å; P39-A41 VanDerWaalsContact O-N 3.09Å
42T27.6Very low27.7Very low129 Ų129159.2 Ų159.279%0.79182%0.819SS**  trans-135.393.2170.3-54.30000110.5K44T42-K44 PolarHBondContact O-N 3.1Å
43L28.9Very low28.3Very low164 Ų164160.3 Ų160.386%0.85982%0.821SS**PPolyproline II helixtrans-66125.1162.5-94.970.4000109.3
44K25.5Very low28.5Very low192 Ų192160.2 Ų160.284%0.83582%0.821SS**PPolyproline II helixtrans-101.5116.2147.7-94-172.8173.7-1790108.3T42 I46T42-K44 PolarHBondContact O-N 3.1Å; K44-I46 PolarHBondContact O-N 3.47Å
45R27.5Very low28.6Very low246 Ų246159.5 Ų159.593%0.92881%0.813SS**PPolyproline II helixtrans-62.4121166.3-82.2179.1169168.4-4.5108.7
46I26.1Very low28.7Very low143 Ų143157.4 Ų157.473%0.73382%0.819SS**  trans-115.9119154.4-62.8178.9000105.7K44 F48K44-I46 PolarHBondContact O-N 3.47Å; I46-F48 HydrophobicContact CG2-CD2 4.19Å; I46-F48 HydrophobicContact CG2-CE2 4.48Å; I46-F48 PolarHBondContact O-N 2.72Å
47A28.8Very low28.6Very low99 Ų99156.5 Ų156.582%0.81881%0.809SS**  trans-84.7108.3179.800000109.7
48F25.8Very low28.6Very low196 Ų196156.4 Ų156.486%0.8680%0.804SS**  trans-91.2103.1171-114-89.8000110.7I46 G50I46-F48 HydrophobicContact CG2-CD2 4.19Å; I46-F48 HydrophobicContact CG2-CE2 4.48Å; I46-F48 PolarHBondContact O-N 2.72Å; F48-G50 PolarHBondContact O-N 3.03Å
49R30.5Very low28.4Very low255 Ų255155.3 Ų155.396%0.96281%0.805SS**  trans-89.779.8173.6-176.1-177.7177.3-172.9-1.1109.1
50G26Very low27.9Very low63 Ų63161 Ų16165%0.64981%0.812SS**  trans-124.5128.4179.900000112.4F48F48-G50 PolarHBondContact O-N 3.03Å
51R33.6Very low27.7Very low261 Ų261155.6 Ų155.699%0.98580%0.801SS**  trans-77.7137.2163.8-69.6176.3172.5172.4-4.5108.2
52G27.6Very low27.5Very low75 Ų75156 Ų15677%0.77380%0.804SS**  trans-174.992.717800000112.6R54G52-R54 PolarHBondContact O-N 2.69Å
53T38.3Very low27.3Very low146 Ų146153.7 Ų153.790%0.89681%0.806SS**  trans-71.1121.5170.636.40000110.3
54R29.3Very low27.1Very low222 Ų222149.7 Ų149.784%0.83881%0.805SS**  trans-139.6104.1161.1-76.4-162.1171.4-167.8-3.9110.9G52G52-R54 PolarHBondContact O-N 2.69Å
55T29.3Very low27.1Very low104 Ų104149.5 Ų149.564%0.63881%0.806SS**  trans-68.3127.816526.90000110F57 T393T55-F57 PolarHBondContact O-N 2.98Å; T55-T393 HydrophobicContact CG2-CG2 4.03Å
56S25.4Very low27.2Very low119 Ų119144.9 Ų144.983%0.83281%0.806SS**  trans-85.989.6176.1-59.70000111.2
57F24.6Very low27.2Very low103 Ų103144.5 Ų144.545%0.45280%0.801SS.*  trans-87.8120.2163.6-99.2-101.7000110T55 Q390T55-F57 PolarHBondContact O-N 2.98Å; F57-Q390 HydrophobicContact CE2-CB 4.44Å; F57-Q390 HydrophobicContact CE2-CG 3.99Å; F57-Q390 HydrophobicContact CZ-CB 3.94Å; F57-Q390 HydrophobicContact CZ-CG 3.85Å
58V28Very low27.2Very low135 Ų135149.7 Ų149.782%0.81881%0.805SS**  trans-101.7109.5171.8-179.30000108
59F22.1Very low27.4Very low190 Ų190148.4 Ų148.483%0.83380%0.799SS**  trans-104109.5176-152-85.4000108.7
60W22.6Very low27.3Very low239 Ų239139.7 Ų139.791%0.90579%0.789SS**  trans-9499175.1-165.7-13.1000108.6
61S23.9Very low27.5Very low104 Ų104144.5 Ų144.573%0.72780%0.8SS**  trans-82135.6166.2-166.80000109.4
62A25.3Very low27.2Very low91 Ų91136.6 Ų136.675%0.75279%0.79SS**  trans-127134.9-179.400000110
63G23.9Very low27.5Very low80 Ų80139.3 Ų139.383%0.82579%0.791SS**  trans-164.6149.3174.900000111.7
64G25.5Very low27.1Very low81 Ų81140.4 Ų140.484%0.83579%0.788SS**  trans85.8107.416900000115.4
65E24.6Very low27.2Very low187 Ų187135.3 Ų135.387%0.87478%0.784SS**  trans-65.8157167.9-67.5153.289.600111.4
66T29.1Very low27.2Very low150 Ų150135.9 Ų135.992%0.9279%0.792SS**  -148.2158.488.427.10000113.6
67E26.2Very low27.4Very low135 Ų135136.9 Ų136.963%0.63179%0.793SS**  trans-87.9140.1-163.6-169.6-168104.700114.7K69E67-K69 HydrophobicContact CG-CG 4.13Å; E67-K69 IonicContact OE1-NZ 2.7Å; E67-K69 PolarHBondContact OE1-NZ 2.67Å; E67-K69 IonicContact OE2-NZ 3.32Å; E67-K69 PolarHBondContact OE2-NZ 3.49Å
68K29.1Very low27.8Very low208 Ų208140.1 Ų140.190%0.90481%0.812SS**  trans-148.6123.4139.5-109.5159.4-170.2172.50111.1
69K31.4Very low28.1Very low168 Ų168142.4 Ų142.473%0.7381%0.813SS**  trans-77.5145.4-170.2-66.2-178.7170.685.90113.2E67E67-K69 HydrophobicContact CG-CG 4.13Å; E67-K69 IonicContact OE1-NZ 2.7Å; E67-K69 PolarHBondContact OE1-NZ 2.67Å; E67-K69 IonicContact OE2-NZ 3.32Å; E67-K69 PolarHBondContact OE2-NZ 3.49Å
70G28.6Very low28.5Very low72 Ų72144.6 Ų144.674%0.74282%0.816SS**  trans-17061178.600000114.6A72G70-A72 PolarHBondContact O-N 3.3Å
71N28.9Very low29Very low165 Ų165139.4 Ų139.488%0.88282%0.816SS**  trans-68.5123.9-174-79.6-0.8000113.9
72A28.7Very low29.2Very low94 Ų94138 Ų13878%0.77782%0.818SS**  trans-130.699.2166.300000110.5G70G70-A72 PolarHBondContact O-N 3.3Å
73V32.9Very low29.6Very low132 Ų132139.1 Ų139.180%0.883%0.827SS**PPolyproline II helixtrans-81.9127.3-179.1179.10000110.8
74M29.4Very low29.9Very low169 Ų169138.9 Ų138.983%0.83383%0.825SS**PPolyproline II helixtrans-89.2129.5168.9-69.7-68.4178.600110.3
75P31.9Very low30.4Very low116 Ų116140.9 Ų140.975%0.75382%0.821SS**PPolyproline II helixtrans-75.8130.7177.530.1-33.4000111.5
76S28.3Very low30.7Very low116 Ų116140.3 Ų140.381%0.81182%0.823SS**PPolyproline II helixtrans-73.3139.1177.5-173.60000112.2
77V30Very low30.8Very low139 Ų139137.9 Ų137.984%0.84281%0.812SS**  trans-87.1105.6168.3175.20000108.2
78M33.7Very low31.2Very low172 Ų172143.7 Ų143.785%0.84783%0.828SS**  trans-96.2128.1171.3-164.7172.8-164.100109.9
79E33.2Very low31.3Very low182 Ų182139.7 Ų139.785%0.8583%0.826SS**  trans-59.4147.2175.6-63.9-174.5110.600111.6
80R30.8Very low31.3Very low237 Ų237142.9 Ų142.989%0.89483%0.834SS**  trans-130.299.2170.6-84.7-174.2165.1-103.1-4.7110.5G82R80-G82 PolarHBondContact O-N 2.82Å
81S33.2Very low31.6Very low130 Ų130144 Ų14491%0.90984%0.836SS**  trans-53123.5165.3-52.50000110.1
82G28.2Very low31.8Very low75 Ų75145.4 Ų145.477%0.77383%0.834SS**  trans-129.868.4-173.300000112.5R80 G84R80-G82 PolarHBondContact O-N 2.82Å; G82-G84 PolarHBondContact O-N 2.85Å
83A34.4Very low31.9Very low114 Ų114146.8 Ų146.894%0.94283%0.833SS**  trans-69.2118.2170.700000109.9
84G30.2Very low31.8Very low74 Ų74146.3 Ų146.376%0.76383%0.83SS**  trans-158.376-173.500000112.4G82G82-G84 PolarHBondContact O-N 2.85Å
85V36.4Very low31.8Very low124 Ų124144.5 Ų144.575%0.75283%0.829SS**  trans-68.1130.7-178.8177.50000111.6
86L31.3Very low31.6Very low175 Ų175147 Ų14792%0.91684%0.835SS**  trans-142.1102.7146.2-82.1-173.1000110.9
87S30Very low31.5Very low99 Ų99144.4 Ų144.469%0.69283%0.827SS**  trans-74.4140.1166.6-49.70000110.7
88R35.4Very low31.3Very low256 Ų256143.4 Ų143.497%0.96683%0.827SS**  trans-142.9102.4154.7-113.4-175.9177.8-164.5-2.1110.5
89S30.7Very low31.2Very low125 Ų125141 Ų14187%0.87483%0.826SS**  trans-73.9136.1178.7-47.80000111.3
90R31.6Very low31.2Very low235 Ų235140.8 Ų140.889%0.88783%0.825SS**  trans-139.9115.8148.1-168.9172.4-170.1165.64.7108.9
91A33.6Very low31.8Very low95 Ų95134.3 Ų134.379%0.78581%0.814SS**  trans-80.9137.2176.300000110.8
92K34.5Very low31.6Very low195 Ų195136.4 Ų136.485%0.84881%0.809SS**  trans-147.8122.5150.4-93.4-158.4175.3-171.20109
93T29.6Very low31.8Very low123 Ų123137.5 Ų137.576%0.75581%0.805SS**  trans-70.7167.9146.846.20000107.9
94V30.7Very low31.6Very low121 Ų121140.7 Ų140.773%0.73380%0.8SS**  cis-160.2173.639.8-137.90000111.5
95T29.4Very low31.9Very low132 Ų132146.5 Ų146.581%0.8181%0.808SS**  trans61.3112.9151.150.90000122.5
96N28.3Very low31.9Very low167 Ų167149.7 Ų149.789%0.89382%0.815SS**  trans-45.2149.4149.3168.380.8000116.4
97G27.2Very low32.2Very low62 Ų62146.3 Ų146.364%0.63981%0.806SS**  trans153.278.3150.600000122.6
98S25.8Very low32.8Very low119 Ų119147.4 Ų147.483%0.83281%0.813SS**  trans63153.9138.2-151.10000124.8
99S30.8Very low33Very low120 Ų120141.5 Ų141.584%0.83980%0.801SS**  trans86.4168.6158.673.90000120.2
100Q32.3Very low33.7Very low178 Ų178143.7 Ų143.783%0.83280%0.797SS**  trans-148.4-175.3-139.6-156.9-165-52.900110.8
101P44.6Very low34.3Very low102 Ų102140.4 Ų140.466%0.66279%0.792SS**  -90.7173-90.438.7-27.2000114.1
102H28Very low34.9Very low173 Ų173143.4 Ų143.480%0.80179%0.789SS**  trans-140.8162.5147.5-146.1-98.6000110.6E104H102-E104 IonicContact ND1-OE1 2.68Å
103S32.9Very low35.6Very low98 Ų98137.5 Ų137.569%0.68578%0.777SS**  trans-132.7131-169.655.30000112.3
104E30.7Very low36.4Very low181 Ų181138.1 Ų138.185%0.84677%0.771SS**  trans-155.1154.4156.841.9-137.2115.800109.4H102H102-E104 IonicContact ND1-OE1 2.68Å
105E37Very low37.4Very low197 Ų197137.5 Ų137.592%0.92176%0.764SS**  trans-110.9125.4-163.7-55.5-176.9137.700111.1
106E35.1Very low38.7Very low191 Ų191136.5 Ų136.589%0.89376%0.762SS**  trans-150.3134.1169-144.4179.1152.600114.1
107S37.3Very low40.3Very low104 Ų104134.5 Ų134.573%0.72775%0.749SS**  trans45.398.6161.2-1540000120D109S107-D109 PolarHBondContact O-N 2.7Å
108S43.6Very low42.3Very low121 Ų121138.5 Ų138.585%0.84675%0.754SS**SBendtrans-97.244.7-177.6-179.50000115.2
109D40.2Very low44.9Very low133 Ų133139.3 Ų139.371%0.71174%0.739SS**SBendtrans-119.3-37179.9-138.4-94.5000115.1S107 E111S107-D109 PolarHBondContact O-N 2.7Å; D109-E111 PolarHBondContact O-N 3.09Å
110E43.5Very low47.1Very low170 Ų170139.5 Ų139.579%0.79473%0.734SS**G310 helixtrans-80.7-13.3-169.8-71.4-133.7112.300116.8H112 A113E110-H112 PolarHBondContact O-N 3.01Å; E110-H112 VanDerWaalsContact O-N 3.13Å; E110-A113 PolarHBondContact O-N 3.48Å
111E44.9Very low49.2Very low167 Ų167132 Ų13278%0.7871%0.705SS**G310 helixtrans-60.4-28.8-175.8-75.1-152.2115.300114.1D109 A113 H114D109-E111 PolarHBondContact O-N 3.09Å; E111-A113 PolarHBondContact O-N 3.18Å; E111-A113 VanDerWaalsContact O-N 3.15Å; E111-H114 PolarHBondContact O-N 3.12Å
112H47.2Very low50.7Low158 Ų158129.9 Ų129.973%0.73170%0.702SS**G310 helixtrans-63.7-22.4-174.9-7298.8000114.2E110E110-H112 PolarHBondContact O-N 3.01Å; E110-H112 VanDerWaalsContact O-N 3.13Å
113A47.9Very low53Low70 Ų70128.9 Ų128.958%0.57970%0.702SS**G310 helixtrans-69.6-34.7175.100000112.1E110 E111E110-A113 PolarHBondContact O-N 3.48Å; E111-A113 PolarHBondContact O-N 3.18Å; E111-A113 VanDerWaalsContact O-N 3.15Å
114H47.2Very low55.2Low137 Ų137131 Ų13163%0.63470%0.696SS**THydrogen-bonded Turntrans-78.8-31.3-173.9-88.5-87.4000113.9E111 S116 M117E111-H114 PolarHBondContact O-N 3.12Å; H114-S116 PolarHBondContact O-N 2.83Å; H114-M117 VanDerWaalsContact O-CB 3.3Å; H114-M117 WeakPolarHBondContact O-CB 3.39Å; H114-M117 PolarHBondContact O-N 3.12Å
115D50.5Low57.6Low108 Ų108128.9 Ų128.958%0.57869%0.686SS**THydrogen-bonded Turntrans-72.8-12.6177.4-159.349.5000113.4M117 R119D115-M117 VanDerWaalsContact C-N 3.25Å; D115-M117 PolarHBondContact O-N 3.17Å; D115-R119 IonicContact OD1-CZ 3.76Å; D115-R119 IonicContact OD1-NE 2.73Å; D115-R119 PolarHBondContact OD1-NE 3.07Å; D115-R119 VanDerWaalsContact OD1-NE 3.12Å; D115-R119 IonicContact OD1-NH2 2.99Å; D115-R119 PolarHBondContact OD1-NH2 3.42Å
116S56.5Low59.3Low110 Ų110123.8 Ų123.877%0.76968%0.678SS**THydrogen-bonded Turntrans-77.9-7.6168.5-650000113.5H114H114-S116 PolarHBondContact O-N 2.83Å
117M62.4Low61.3Low126 Ų126123.9 Ų123.962%0.62168%0.678SS**SBendtrans-88.4134.1177.5-163.5173-65.200110.7H114 D115 R119H114-M117 VanDerWaalsContact O-CB 3.3Å; H114-M117 WeakPolarHBondContact O-CB 3.39Å; H114-M117 PolarHBondContact O-N 3.12Å; D115-M117 VanDerWaalsContact C-N 3.25Å; D115-M117 PolarHBondContact O-N 3.17Å; M117-R119 PolarHBondContact O-N 2.97Å
118I69.6Low63.2Low146 Ų146126.3 Ų126.375%0.74968%0.682SS**  trans-62.9112.1178.1-56.9176.3000108.7V120I118-V120 HydrophobicContact CG2-CG2 3.94Å; I118-V120 PolarHBondContact O-N 2.84Å; I118-V120 VanDerWaalsContact O-N 3.13Å
119R80Confident64.9Low136 Ų136126 Ų12651%0.51368%0.676SS.*  trans-69.3105.3177.9-60.8177.1-179.8-104.17.2109.1D115 M117 Y124D115-R119 IonicContact OD1-CZ 3.76Å; D115-R119 IonicContact OD1-NE 2.73Å; D115-R119 PolarHBondContact OD1-NE 3.07Å; D115-R119 VanDerWaalsContact OD1-NE 3.12Å; D115-R119 IonicContact OD1-NH2 2.99Å; D115-R119 PolarHBondContact OD1-NH2 3.42Å; M117-R119 PolarHBondContact O-N 2.97Å; R119-Y124 HydrophobicContact CB-CD1 3.92Å; R119-Y124 HydrophobicContact CB-CD2 3.91Å; R119-Y124 HydrophobicContact CB-CE1 4.36Å; R119-Y124 HydrophobicContact CB-CE2 4.33Å; R119-Y124 HydrophobicContact CB-CG 3.69Å; R119-Y124 WeakPolarHBondContact O-CB 3.44Å
120V77.2Confident66.7Low123 Ų123126.8 Ų126.875%0.74568%0.676SS**  trans-110.9112.9-177.7178.50000110.4I118I118-V120 HydrophobicContact CG2-CG2 3.94Å; I118-V120 PolarHBondContact O-N 2.84Å; I118-V120 VanDerWaalsContact O-N 3.13Å
121G76Confident67.6Low22 Ų22127 Ų12723%0.22768%0.675CS.*SBendtrans-177.7170.617700000110.2D123 Y124 Q125G121-D123 PolarHBondContact O-N 3.23Å; G121-Y124 PolarHBondContact O-N 3.14Å; G121-Q125 WeakPolarHBondContact O-CG 3.32Å; G121-Q125 PolarHBondContact O-N 2.94Å
122G77.4Confident68.5Low57 Ų57125.5 Ų125.559%0.58867%0.666SS**G310 helixtrans-62.2-37.1175.700000111.9Y124 Q125G122-Y124 PolarHBondContact O-N 3.31Å; G122-Q125 PolarHBondContact O-N 3.36Å
123D76.3Confident69Low152 Ų152122.1 Ų122.181%0.81366%0.657SS**G310 helixtrans-72.8-10.5-179-38-76.3000113.2G121G121-D123 PolarHBondContact O-N 3.23Å
124Y78Confident69Low141 Ų141126 Ų12655%0.55367%0.668SS**G310 helixtrans-112.18176.5-53.6-62000112.7R119 G121 G122R119-Y124 HydrophobicContact CB-CD1 3.92Å; R119-Y124 HydrophobicContact CB-CD2 3.91Å; R119-Y124 HydrophobicContact CB-CE1 4.36Å; R119-Y124 HydrophobicContact CB-CE2 4.33Å; R119-Y124 HydrophobicContact CB-CG 3.69Å; R119-Y124 WeakPolarHBondContact O-CB 3.44Å; G121-Y124 PolarHBondContact O-N 3.14Å; G122-Y124 PolarHBondContact O-N 3.31Å
125Q81.3Confident69.1Low137 Ų137121.5 Ų121.564%0.6465%0.653SS**SBendtrans-105.4146.8172.6-72.2174.722.600110.1G121 G122 Q127G121-Q125 WeakPolarHBondContact O-CG 3.32Å; G121-Q125 PolarHBondContact O-N 2.94Å; G122-Q125 PolarHBondContact O-N 3.36Å; Q125-Q127 PolarHBondContact O-N 2.97Å
126A73.6Confident69.3Low90 Ų90122 Ų12274%0.74466%0.662SS**  trans-65.2126.8174.300000110.1I128A126-I128 PolarHBondContact O-N 2.97Å
127Q77.6Confident69Low193 Ų193120 Ų12090%0.90265%0.652SS**  trans-63.1101.8167.2-87.3-170.5-14.100109.2Q125 P129Q125-Q127 PolarHBondContact O-N 2.97Å; Q127-P129 VanDerWaalsContact O-CD 3.26Å; Q127-P129 WeakPolarHBondContact O-CD 3.41Å
128I76.8Confident68.2Low156 Ų156122.4 Ų122.480%0.865%0.654SS**PPolyproline II helixtrans-70.9117.7175.8-57.2178.4000107.9A126A126-I128 PolarHBondContact O-N 2.97Å
129P78.7Confident67.2Low113 Ų113124.6 Ų124.673%0.73465%0.654SS**PPolyproline II helixtrans-64.8141177.8-21.234.6000111.3Q127 F131Q127-P129 VanDerWaalsContact O-CD 3.26Å; Q127-P129 WeakPolarHBondContact O-CD 3.41Å; P129-F131 PolarHBondContact O-N 2.98Å
130E77.2Confident65.6Low150 Ų150122.8 Ų122.870%0.70166%0.655SS**PPolyproline II helixtrans-52.7124-179.8-175.4-178.4-132.900111.9K132E130-K132 PolarHBondContact O-N 3.16Å; E130-K132 WeakPolarHBondContact OE2-CE 3.28Å; E130-K132 IonicContact OE2-NZ 3.28Å; E130-K132 PolarHBondContact OE2-NZ 2.83Å
131F62.8Low64.2Low176 Ų176121 Ų12177%0.77264%0.638SS**  trans-71.2110.8-176178.8-99.6000111.3P129 P133P129-F131 PolarHBondContact O-N 2.98Å; F131-P133 HydrophobicContact CE1-CB 3.94Å; F131-P133 HydrophobicContact CE1-CG 4.35Å; F131-P133 HydrophobicContact CZ-CB 4.36Å
132K64.3Low62.8Low135 Ų135127 Ų12759%0.58766%0.658SS**  trans-109.3102178.5-69.3176.5-176.2174.60109.5E130 D134E130-K132 PolarHBondContact O-N 3.16Å; E130-K132 WeakPolarHBondContact OE2-CE 3.28Å; E130-K132 IonicContact OE2-NZ 3.28Å; E130-K132 PolarHBondContact OE2-NZ 2.83Å; K132-D134 PolarHBondContact O-N 3.5Å
133P57.2Low61.7Low86 Ų86129.9 Ų129.956%0.55866%0.66SS**SBendtrans-64.8-38.1-175.822.7-30.9000112.5F131 S135F131-P133 HydrophobicContact CE1-CB 3.94Å; F131-P133 HydrophobicContact CE1-CG 4.35Å; F131-P133 HydrophobicContact CZ-CB 4.36Å; P133-S135 VanDerWaalsContact C-N 3.31Å; P133-S135 PolarHBondContact O-N 2.99Å; P133-S135 VanDerWaalsContact O-N 3.07Å
134D49.5Very low60.6Low151 Ų151129.7 Ų129.781%0.80765%0.654SS**  trans-90.942.5-165.2-48.7-54.1000114.4K132 P136K132-D134 PolarHBondContact O-N 3.5Å; D134-P136 VanDerWaalsContact O-CD 3.23Å; D134-P136 WeakPolarHBondContact O-CD 3.43Å
135S48.2Very low59.5Low44 Ų44132.1 Ų132.131%0.30866%0.662SS.*  trans-103.593175.156.30000111.6P133 A137 R138P133-S135 VanDerWaalsContact C-N 3.31Å; P133-S135 PolarHBondContact O-N 2.99Å; P133-S135 VanDerWaalsContact O-N 3.07Å; S135-A137 PolarHBondContact O-N 2.99Å; S135-R138 WeakPolarHBondContact O-CB 3.33Å; S135-R138 PolarHBondContact O-N 2.72Å; S135-R138 VanDerWaalsContact OG-CG 3.31Å; S135-R138 WeakPolarHBondContact OG-CG 3.33Å
136P54.9Low58.7Low119 Ų119129.2 Ų129.277%0.77366%0.657SS**THydrogen-bonded Turntrans-61.7-16.7-176.123.5-34000114D134 R138D134-P136 VanDerWaalsContact O-CD 3.23Å; D134-P136 WeakPolarHBondContact O-CD 3.43Å; P136-R138 VanDerWaalsContact C-N 3.26Å; P136-R138 PolarHBondContact O-N 3.17Å
137A50.3Low58.7Low67 Ų67132.8 Ų132.855%0.55466%0.66SS**Hα-helixtrans-59.9-30.2171.300000113.7S135 Y139 N140 E141S135-A137 PolarHBondContact O-N 2.99Å; A137-Y139 PolarHBondContact O-N 3.28Å; A137-N140 PolarHBondContact O-N 3.44Å; A137-E141 PolarHBondContact O-N 2.98Å
138R45.5Very low58.9Low177 Ų177129.4 Ų129.467%0.66865%0.648SS**Hα-helixtrans-63.7-22.1-174.3-81.4-70.4-170.6100.91.7114.9S135 P136S135-R138 WeakPolarHBondContact O-CB 3.33Å; S135-R138 PolarHBondContact O-N 2.72Å; S135-R138 VanDerWaalsContact OG-CG 3.31Å; S135-R138 WeakPolarHBondContact OG-CG 3.33Å; P136-R138 VanDerWaalsContact C-N 3.26Å; P136-R138 PolarHBondContact O-N 3.17Å
139Y47.5Very low58.9Low192 Ų192124.5 Ų124.575%0.75363%0.625SS**Hα-helixtrans-81.1-48173-85.2-96.6000111.4A137 E141 K142A137-Y139 PolarHBondContact O-N 3.28Å; Y139-E141 VanDerWaalsContact C-N 3.28Å; Y139-E141 PolarHBondContact O-N 3.24Å; Y139-K142 VanDerWaalsContact O-CB 3.26Å; Y139-K142 WeakPolarHBondContact O-CB 3.39Å; Y139-K142 PolarHBondContact O-N 2.85Å
140N46.7Very low59.4Low98 Ų98122.4 Ų122.452%0.52460%0.603SS.*Hα-helixtrans-62.6-34.7-179.2-160-69.1000112.5A137 K142 Q144A137-N140 PolarHBondContact O-N 3.44Å; N140-K142 PolarHBondContact O-N 3.18Å; N140-Q144 PolarHBondContact OD1-NE2 3.08Å
141E48.4Very low59.8Low84 Ų84117.5 Ų117.539%0.39358%0.584SS.*Hα-helixtrans-66.3-19175.7-136.5-156.4142.900113.8A137 Y139 R145A137-E141 PolarHBondContact O-N 2.98Å; Y139-E141 VanDerWaalsContact C-N 3.28Å; Y139-E141 PolarHBondContact O-N 3.24Å; E141-R145 WeakPolarHBondContact O-CG 3.43Å; E141-R145 IonicContact OE1-CZ 3.71Å; E141-R145 IonicContact OE1-NE 2.73Å; E141-R145 IonicContact OE1-NH2 3.85Å; E141-R145 PolarHBondContact OE1-NH2 3.49Å
142K47.1Very low60.7Low150 Ų150114.8 Ų114.865%0.65258%0.584SS**Hα-helixtrans-79.5-44.8-178.4-158.7177.6-176.5-175.60110.9Y139 N140 Q144 R145 S146Y139-K142 VanDerWaalsContact O-CB 3.26Å; Y139-K142 WeakPolarHBondContact O-CB 3.39Å; Y139-K142 PolarHBondContact O-N 2.85Å; N140-K142 PolarHBondContact O-N 3.18Å; K142-Q144 PolarHBondContact O-N 2.86Å; K142-R145 PolarHBondContact O-N 3.36Å; K142-S146 PolarHBondContact O-N 3Å; K142-S146 PolarHBondContact O-OG 2.96Å
143D52.9Low61.5Low117 Ų117110.3 Ų110.363%0.62657%0.567SS**Hα-helixtrans-62-33.4177.1-57.8-26.2000111.6R145 S146D143-R145 PolarHBondContact O-N 3.36Å; D143-S146 PolarHBondContact O-N 3.4Å
144Q53.4Low62.4Low147 Ų147112.6 Ų112.669%0.68758%0.58SS**THydrogen-bonded Turntrans-70.1-9.3175.6-66.118032.800114.2N140 K142N140-Q144 PolarHBondContact OD1-NE2 3.08Å; K142-Q144 PolarHBondContact O-N 2.86Å
145R55.7Low63.6Low192 Ų192113 Ų11373%0.72558%0.577SS**THydrogen-bonded Turntrans-108-10.2178.3-63.6176.5-174.3-149.64.9113.4E141 K142 D143E141-R145 WeakPolarHBondContact O-CG 3.43Å; E141-R145 IonicContact OE1-CZ 3.71Å; E141-R145 IonicContact OE1-NE 2.73Å; E141-R145 IonicContact OE1-NH2 3.85Å; E141-R145 PolarHBondContact OE1-NH2 3.49Å; K142-R145 PolarHBondContact O-N 3.36Å; D143-R145 PolarHBondContact O-N 3.36Å
146S64.2Low65.3Low77 Ų77112.6 Ų112.654%0.53857%0.571SS.*  trans-116.1101.8-18055.40000111.3K142 D143K142-S146 PolarHBondContact O-N 3Å; K142-S146 PolarHBondContact O-OG 2.96Å; D143-S146 PolarHBondContact O-N 3.4Å
147M73.1Confident66.8Low164 Ų164109.7 Ų109.781%0.80855%0.553SS**  trans-76.8134171.5-174.6166.968.400110.3V149M147-V149 HydrophobicContact CE-CG2 4.25Å; M147-V149 PolarHBondContact O-N 2.97Å
148L81.4Confident68.5Low122 Ų122112.2 Ų112.264%0.63956%0.557SS**  trans-75.1115.9170.4-177.368.5000109W150 L184L148-W150 WeakPolarHBondContact CD1-O 3.43Å; L148-L184 HydrophobicContact CD2-CD2 4.25Å; L148-L184 HydrophobicContact CG-CD2 3.97Å; L148-L184 WeakPolarHBondContact O-CD2 3.47Å
149V78.6Confident70.6Confident54 Ų54110.1 Ų110.133%0.32756%0.559SS.*  trans-101.8-26.2-178.5-175.20000112.2M147 E177 L180 G181 L184M147-V149 HydrophobicContact CE-CG2 4.25Å; M147-V149 PolarHBondContact O-N 2.97Å; V149-E177 WeakPolarHBondContact CG1-O 3.44Å; V149-L180 CarbonylContact O-C 3.06Å; V149-G181 VanDerWaalsContact O-CA 3.28Å; V149-G181 WeakPolarHBondContact O-CA 3.29Å; V149-G181 PolarHBondContact O-N 3.02Å; V149-L184 VanDerWaalsContact C-CD2 3.48Å; V149-L184 WeakPolarHBondContact O-CD2 3.5Å
150W88Confident72.5Confident68 Ų68105.2 Ų105.226%0.25855%0.545SS..  trans-149.7149.1178-177.3-123000112.6L148 L161 L180 L183 L184 H188L148-W150 WeakPolarHBondContact CD1-O 3.43Å; W150-L161 HydrophobicContact CH2-CD1 3.65Å; W150-L161 HydrophobicContact CH2-CD2 4.16Å; W150-L161 HydrophobicContact CZ2-CD1 3.99Å; W150-L161 HydrophobicContact CZ2-CD2 3.65Å; W150-L161 HydrophobicContact CZ3-CD1 4.49Å; W150-L180 HydrophobicContact CB-CB 4.15Å; W150-L180 HydrophobicContact CB-CD1 4.41Å; W150-L180 HydrophobicContact CD2-CB 4.09Å; W150-L180 HydrophobicContact CD2-CD1 4.38Å; W150-L180 HydrophobicContact CD2-CD2 3.78Å; W150-L180 HydrophobicContact CD2-CG 4.3Å; W150-L180 HydrophobicContact CE3-CB 3.9Å; W150-L180 HydrophobicContact CE3-CD2 3.81Å; W150-L180 HydrophobicContact CE3-CG 4.39Å; W150-L180 HydrophobicContact CG-CB 4.22Å; W150-L180 HydrophobicContact CG-CD1 4.12Å; W150-L180 HydrophobicContact CG-CD2 4.38Å; W150-L180 HydrophobicContact CG-CG 4.48Å; W150-L180 HydrophobicContact CH2-CD2 4.03Å; W150-L180 HydrophobicContact CZ2-CD2 4.02Å; W150-L180 HydrophobicContact CZ3-CD2 3.93Å; W150-L183 HydrophobicContact CH2-CD2 3.85Å; W150-L183 HydrophobicContact CH2-CG 4.44Å; W150-L183 HydrophobicContact CZ3-CB 4.17Å; W150-L183 HydrophobicContact CZ3-CD2 3.84Å; W150-L183 HydrophobicContact CZ3-CG 4.03Å; W150-L184 HydrophobicContact CE3-CB 4.44Å; W150-H188 AromaticContact CH2-CD2 3.46Å; W150-H188 VanDerWaalsContact CH2-CD2 3.46Å; W150-H188 WeakPolarHBondContact CH2-CD2 3.38Å; W150-H188 AromaticContact CH2-NE2 3.72Å; W150-H188 AromaticContact CZ3-CD2 3.43Å; W150-H188 VanDerWaalsContact CZ3-CD2 3.43Å; W150-H188 WeakPolarHBondContact CZ3-CD2 3.24Å; W150-H188 AromaticContact CZ3-NE2 3.49Å; W150-H188 WeakPolarHBondContact CZ3-NE2 3.33Å
151C85.1Confident74.6Confident47 Ų47101.6 Ų101.632%0.31853%0.525SS..  trans-146.1145.5158.460.70000110.1H188C151-H188 PolarHBondContact O-NE2 3.24Å
152P82.5Confident76.6Confident119 Ų119102.5 Ų102.577%0.77353%0.533SS*.  trans-64144.5175.9-2233.8000112.5
153N81Confident78.8Confident41 Ų41101 Ų10122%0.21953%0.528CS..  trans-129.8129.9178-175.3-21.8000110.1Q155 L156 H188N153-Q155 PolarHBondContact O-N 3.17Å; N153-Q155 VanDerWaalsContact O-N 3.11Å; N153-Q155 PolarHBondContact OD1-N 2.73Å; N153-L156 PolarHBondContact O-N 3.21Å; N153-H188 HydrophobicContact CB-CB 4.18Å; N153-H188 WeakPolarHBondContact ND2-CB 3.3Å; N153-H188 PolarHBondContact ND2-ND1 3.37Å
154T76.6Confident80.7Confident134 Ų13495.4 Ų95.482%0.82250%0.498SS*.THydrogen-bonded Turntrans-71.20-177.356.50000114.7
155Q74.9Confident82.5Confident161 Ų16189.4 Ų89.475%0.75247%0.471SS*.THydrogen-bonded Turntrans-101.5-7.9176.5-68.4176.6101.200113.6N153N153-Q155 PolarHBondContact O-N 3.17Å; N153-Q155 VanDerWaalsContact O-N 3.11Å; N153-Q155 PolarHBondContact OD1-N 2.73Å
156L82.5Confident84.3Confident34 Ų3484.3 Ų84.318%0.17846%0.457CS..SBendtrans-104.9137.9168-64.9-173.9000109.4N153 M160 L183 H188 V190N153-L156 PolarHBondContact O-N 3.21Å; L156-M160 HydrophobicContact CD2-CE 4.38Å; L156-L183 HydrophobicContact CD1-CD1 4.4Å; L156-L183 HydrophobicContact CD1-CD2 3.81Å; L156-L183 HydrophobicContact CD1-CG 4.34Å; L156-H188 HydrophobicContact CD1-CB 3.8Å; L156-H188 HydrophobicContact CG-CB 4.14Å; L156-V190 HydrophobicContact CD1-CG2 4.2Å; L156-V190 HydrophobicContact CD2-CG2 3.79Å
157S87Confident85.4Confident58 Ų5882.7 Ų82.741%0.40644%0.442SS..  trans-87.8150.9165.760.70000110N159 M160 L161S157-N159 PolarHBondContact O-N 3.15Å; S157-M160 PolarHBondContact O-N 3.48Å; S157-M160 VanDerWaalsContact O-N 3.1Å; S157-M160 WeakPolarHBondContact OG-CE 3.4Å; S157-M160 WeakPolarHBondContact OG-CG 3.2Å; S157-L161 PolarHBondContact O-N 3.32Å; S157-L161 VanDerWaalsContact O-N 3.11Å
158D85.4Confident86.2Confident120 Ų12074.9 Ų74.964%0.64240%0.403SS*.Hα-helixtrans-58-38.1-177.9-57.3-42.8000111.5M160 L161 D162D158-M160 PolarHBondContact O-N 3.25Å; D158-L161 WeakPolarHBondContact O-CB 3.17Å; D158-L161 PolarHBondContact O-N 3.17Å; D158-L161 VanDerWaalsContact O-N 3.14Å; D158-D162 PolarHBondContact O-N 3.4Å
159N90.5Very high86.4Confident133 Ų13375.2 Ų75.271%0.71140%0.399SS*.Hα-helixtrans-58.8-43.3175.9-61.324000113.2S157 L161 E163S157-N159 PolarHBondContact O-N 3.15Å; N159-L161 VanDerWaalsContact C-N 3.32Å; N159-E163 PolarHBondContact O-N 2.77Å
160M87.9Confident86.7Confident89 Ų8979.2 Ų79.244%0.43842%0.415SS..Hα-helixtrans-71.8-30.3178.2-68-169.7-59.100111.6L156 S157 D158 Y164L156-M160 HydrophobicContact CD2-CE 4.38Å; S157-M160 PolarHBondContact O-N 3.48Å; S157-M160 VanDerWaalsContact O-N 3.1Å; S157-M160 WeakPolarHBondContact OG-CE 3.4Å; S157-M160 WeakPolarHBondContact OG-CG 3.2Å; D158-M160 PolarHBondContact O-N 3.25Å; M160-Y164 WeakPolarHBondContact O-CB 3.44Å; M160-Y164 PolarHBondContact O-N 2.89Å; M160-Y164 VanDerWaalsContact O-N 3.09Å
161L90.5Very high86.4Confident23 Ų2383 Ų8312%0.1243%0.433CS..Hα-helixtrans-68.4-44.7174.7-179.761.9000111.4W150 S157 D158 N159 Y164 I165 L180 L183W150-L161 HydrophobicContact CH2-CD1 3.65Å; W150-L161 HydrophobicContact CH2-CD2 4.16Å; W150-L161 HydrophobicContact CZ2-CD1 3.99Å; W150-L161 HydrophobicContact CZ2-CD2 3.65Å; W150-L161 HydrophobicContact CZ3-CD1 4.49Å; S157-L161 PolarHBondContact O-N 3.32Å; S157-L161 VanDerWaalsContact O-N 3.11Å; D158-L161 WeakPolarHBondContact O-CB 3.17Å; D158-L161 PolarHBondContact O-N 3.17Å; D158-L161 VanDerWaalsContact O-N 3.14Å; N159-L161 VanDerWaalsContact C-N 3.32Å; L161-Y164 PolarHBondContact O-N 2.73Å; L161-I165 HydrophobicContact CD1-CD1 4.19Å; L161-I165 HydrophobicContact CG-CD1 3.97Å; L161-I165 VanDerWaalsContact O-CG1 3.25Å; L161-I165 WeakPolarHBondContact O-CG1 3.35Å; L161-I165 PolarHBondContact O-N 3Å; L161-L180 HydrophobicContact CD1-CD2 3.83Å; L161-L183 HydrophobicContact CD1-CD2 3.37Å
162D90.8Very high86.1Confident103 Ų10383.2 Ų83.255%0.55143%0.429SS*.Hα-helixtrans-65-41.6176.8-78.8-23.3000112D158 Y164 I165 L166D158-D162 PolarHBondContact O-N 3.4Å; D162-Y164 PolarHBondContact O-N 2.7Å; D162-I165 PolarHBondContact O-N 2.86Å; D162-L166 WeakPolarHBondContact O-CB 3.37Å; D162-L166 PolarHBondContact O-N 3Å
163E92.4Very high85.9Confident117 Ų11780.3 Ų80.355%0.54742%0.421SS..Hα-helixtrans-62-42.5174.9-163.9-169.3152.200111.7N159 L166 M167N159-E163 PolarHBondContact O-N 2.77Å; E163-L166 PolarHBondContact O-N 2.87Å; E163-M167 HydrophobicContact CG-CE 4.23Å; E163-M167 PolarHBondContact O-N 2.77Å
164Y92.7Very high86Confident1 Ų178.7 Ų78.70%0.00441%0.412CS..Hα-helixtrans-62-46.7173.8166.9-92.2000112.4M160 L161 D162 L166 M167 A168 A179 L183 V190 S193 L194 L197M160-Y164 WeakPolarHBondContact O-CB 3.44Å; M160-Y164 PolarHBondContact O-N 2.89Å; M160-Y164 VanDerWaalsContact O-N 3.09Å; L161-Y164 PolarHBondContact O-N 2.73Å; D162-Y164 PolarHBondContact O-N 2.7Å; Y164-L166 VanDerWaalsContact C-N 3.3Å; Y164-L166 PolarHBondContact O-N 3.37Å; Y164-M167 PolarHBondContact O-N 2.98Å; Y164-A168 WeakPolarHBondContact O-CB 3.45Å; Y164-A168 PolarHBondContact O-N 2.9Å; Y164-A179 HydrophobicContact CE1-CB 3.96Å; Y164-A179 WeakPolarHBondContact CE1-O 3.3Å; Y164-A179 PolarHBondContact OH-O 2.88Å; Y164-A179 VanDerWaalsContact OH-O 3.11Å; Y164-L183 HydrophobicContact CD1-CB 4.49Å; Y164-L183 HydrophobicContact CD1-CD2 3.81Å; Y164-L183 HydrophobicContact CE1-CB 3.78Å; Y164-L183 HydrophobicContact CE1-CD2 3.94Å; Y164-L183 HydrophobicContact CE1-CG 4.31Å; Y164-L183 HydrophobicContact CG-CD2 4.42Å; Y164-V190 HydrophobicContact CD2-CG1 3.95Å; Y164-V190 HydrophobicContact CG-CG1 4.43Å; Y164-S193 PolarHBondContact OH-OG 3.09Å; Y164-L194 HydrophobicContact CD2-CD2 3.64Å; Y164-L194 HydrophobicContact CD2-CG 3.82Å; Y164-L194 HydrophobicContact CE2-CD2 3.9Å; Y164-L194 HydrophobicContact CE2-CG 4.05Å; Y164-L197 HydrophobicContact CE2-CD1 4.41Å
165I91.9Very high86.4Confident21 Ų2176.4 Ų76.411%0.10839%0.394CS..Hα-helixtrans-62.1-40.7178.2-68.8163.6000110.4L161 D162 A168 K169 M176 L180L161-I165 HydrophobicContact CD1-CD1 4.19Å; L161-I165 HydrophobicContact CG-CD1 3.97Å; L161-I165 VanDerWaalsContact O-CG1 3.25Å; L161-I165 WeakPolarHBondContact O-CG1 3.35Å; L161-I165 PolarHBondContact O-N 3Å; D162-I165 PolarHBondContact O-N 2.86Å; I165-A168 PolarHBondContact O-N 3.22Å; I165-K169 VanDerWaalsContact O-CB 3.26Å; I165-K169 WeakPolarHBondContact O-CB 3.4Å; I165-K169 PolarHBondContact O-N 3.47Å; I165-M176 HydrophobicContact CG2-CE 4.38Å; I165-M176 HydrophobicContact CG2-CG 4.37Å; I165-L180 HydrophobicContact CD1-CD2 3.94Å; I165-L180 HydrophobicContact CG1-CD2 4.34Å
166L92.1Very high86.9Confident84 Ų8474 Ų7444%0.4438%0.384SS..Hα-helixtrans-61.9-49.4176.5-172.467.3000111.1D162 E163 Y164 A168 K169 E170D162-L166 WeakPolarHBondContact O-CB 3.37Å; D162-L166 PolarHBondContact O-N 3Å; E163-L166 PolarHBondContact O-N 2.87Å; Y164-L166 VanDerWaalsContact C-N 3.3Å; Y164-L166 PolarHBondContact O-N 3.37Å; L166-A168 PolarHBondContact O-N 3.46Å; L166-K169 PolarHBondContact O-N 3.37Å; L166-E170 HydrophobicContact CD1-CG 4.08Å; L166-E170 WeakPolarHBondContact CD1-OE1 3.44Å; L166-E170 HydrophobicContact CG-CG 4.47Å; L166-E170 WeakPolarHBondContact O-CB 3.16Å; L166-E170 WeakPolarHBondContact O-CG 3.4Å; L166-E170 PolarHBondContact O-N 3.06Å
167M88.8Confident87.1Confident44 Ų4478.8 Ų78.822%0.21741%0.406CS..Hα-helixtrans-61.1-43.1177-76.7-162.9-82.400112.8E163 Y164 K169 K171 L194E163-M167 HydrophobicContact CG-CE 4.23Å; E163-M167 PolarHBondContact O-N 2.77Å; Y164-M167 PolarHBondContact O-N 2.98Å; M167-K169 VanDerWaalsContact C-N 3.33Å; M167-K169 PolarHBondContact O-N 2.98Å; M167-K171 WeakPolarHBondContact O-CB 3.4Å; M167-K171 PolarHBondContact O-N 2.88Å; M167-L194 HydrophobicContact CB-CD2 4.16Å; M167-L194 HydrophobicContact CE-CD1 3.85Å; M167-L194 HydrophobicContact CE-CD2 4.21Å
168A88.9Confident87.1Confident0 Ų080 Ų800%041%0.405CS..Hα-helixtrans-63.7-39.1178.700000112.4Y164 I165 L166 H172 G173 Y174 A179 L197Y164-A168 WeakPolarHBondContact O-CB 3.45Å; Y164-A168 PolarHBondContact O-N 2.9Å; I165-A168 PolarHBondContact O-N 3.22Å; L166-A168 PolarHBondContact O-N 3.46Å; A168-H172 CarbonylContact O-C 3.44Å; A168-H172 WeakPolarHBondContact O-CB 3.42Å; A168-H172 PolarHBondContact O-N 3.31Å; A168-G173 PolarHBondContact O-N 3.29Å; A168-Y174 PolarHBondContact O-N 3.18Å; A168-Y174 VanDerWaalsContact O-N 3.09Å; A168-A179 HydrophobicContact CB-CB 3.73Å; A168-L197 HydrophobicContact CB-CD1 3.65Å; A168-L197 HydrophobicContact CB-CD2 4.07Å
169K85.8Confident87.3Confident128 Ų12874.3 Ų74.356%0.55738%0.375SS*.Hα-helixtrans-70.7-49.8176.9-177.7-168.5170.5-1550112.3I165 L166 M167 G173 Y174I165-K169 VanDerWaalsContact O-CB 3.26Å; I165-K169 WeakPolarHBondContact O-CB 3.4Å; I165-K169 PolarHBondContact O-N 3.47Å; L166-K169 PolarHBondContact O-N 3.37Å; M167-K169 VanDerWaalsContact C-N 3.33Å; M167-K169 PolarHBondContact O-N 2.98Å; K169-G173 VanDerWaalsContact O-CA 3.26Å; K169-G173 WeakPolarHBondContact O-CA 3.28Å; K169-G173 PolarHBondContact O-N 3.45Å; K169-Y174 WeakPolarHBondContact CA-O 3.4Å
170E85.4Confident87.3Confident139 Ų13969.1 Ų69.165%0.6535%0.347SS*.Hα-helixtrans-81.5-36.1-170.6-66.9-170.3160.800113.9L166L166-E170 HydrophobicContact CD1-CG 4.08Å; L166-E170 WeakPolarHBondContact CD1-OE1 3.44Å; L166-E170 HydrophobicContact CG-CG 4.47Å; L166-E170 WeakPolarHBondContact O-CB 3.16Å; L166-E170 WeakPolarHBondContact O-CG 3.4Å; L166-E170 PolarHBondContact O-N 3.06Å
171K81.2Confident87.4Confident148 Ų14866 Ų6664%0.64334%0.337SS*.Hα-helixtrans-90.9-23.4-179.5-63.6177.3179.7169.20113.6M167M167-K171 WeakPolarHBondContact O-CB 3.4Å; M167-K171 PolarHBondContact O-N 2.88Å
172H79.1Confident87.3Confident50 Ų5066.1 Ų66.123%0.23134%0.337CS..Hα-helixtrans-132.21.4-171.7-55.1-78000114.6A168 Y174 L197A168-H172 CarbonylContact O-C 3.44Å; A168-H172 WeakPolarHBondContact O-CB 3.42Å; A168-H172 PolarHBondContact O-N 3.31Å; H172-Y174 VanDerWaalsContact C-N 3.29Å; H172-Y174 HydrophobicContact CB-CD2 3.57Å; H172-Y174 HydrophobicContact CB-CE2 3.7Å; H172-Y174 WeakPolarHBondContact O-CD2 3.47Å; H172-Y174 PolarHBondContact O-N 3.26Å; H172-L197 HydrophobicContact CB-CB 4.39Å
173G77.9Confident87.4Confident58 Ų5861.2 Ų61.260%0.59831%0.311SS*.  trans71.514174.900000115.7A168 K169A168-G173 PolarHBondContact O-N 3.29Å; K169-G173 VanDerWaalsContact O-CA 3.26Å; K169-G173 WeakPolarHBondContact O-CA 3.28Å; K169-G173 PolarHBondContact O-N 3.45Å
174Y83.4Confident87.3Confident8 Ų857.3 Ų57.33%0.03129%0.294CS..  trans-70.5136-176.6-80.1-119.2000111.9A168 K169 H172 Q178 M182 L197 F200 T201A168-Y174 PolarHBondContact O-N 3.18Å; A168-Y174 VanDerWaalsContact O-N 3.09Å; K169-Y174 WeakPolarHBondContact CA-O 3.4Å; H172-Y174 VanDerWaalsContact C-N 3.29Å; H172-Y174 HydrophobicContact CB-CD2 3.57Å; H172-Y174 HydrophobicContact CB-CE2 3.7Å; H172-Y174 WeakPolarHBondContact O-CD2 3.47Å; H172-Y174 PolarHBondContact O-N 3.26Å; Y174-Q178 HydrophobicContact CD1-CB 3.68Å; Y174-Q178 HydrophobicContact CE1-CB 4.45Å; Y174-Q178 HydrophobicContact CG-CB 4.46Å; Y174-M182 HydrophobicContact CE1-CE 3.98Å; Y174-L197 HydrophobicContact CD1-CD2 3.87Å; Y174-L197 HydrophobicContact CD2-CD2 4.03Å; Y174-L197 HydrophobicContact CE1-CD2 3.62Å; Y174-L197 HydrophobicContact CE2-CB 4.25Å; Y174-L197 HydrophobicContact CE2-CD2 3.78Å; Y174-L197 WeakPolarHBondContact CE2-O 3.4Å; Y174-L197 HydrophobicContact CG-CD2 4.07Å; Y174-L197 PolarHBondContact OH-O 2.94Å; Y174-F200 WeakPolarHBondContact OH-CB 3.36Å; Y174-F200 PolarHBondContact OH-O 3.31Å; Y174-T201 PolarHBondContact OH-N 3.48Å
175N84.4Confident87.1Confident86 Ų8666.9 Ų66.946%0.4633%0.33SS..  trans-65.6151.7161.6-176.826000110E177 Q178 A179N175-E177 VanDerWaalsContact C-N 3.28Å; N175-E177 PolarHBondContact O-N 2.84Å; N175-Q178 HydrophobicContact CB-CG 4.2Å; N175-Q178 WeakPolarHBondContact O-CA 3.49Å; N175-Q178 WeakPolarHBondContact O-CB 3.45Å; N175-Q178 PolarHBondContact O-N 2.8Å; N175-A179 PolarHBondContact O-N 2.87Å
176M86Confident87Confident109 Ų10967.2 Ų67.254%0.53733%0.331SS..Hα-helixtrans-51.1-45179.1180-178.4-79.500112.3I165 Q178 A179 L180I165-M176 HydrophobicContact CG2-CE 4.38Å; I165-M176 HydrophobicContact CG2-CG 4.37Å; M176-Q178 VanDerWaalsContact C-N 3.3Å; M176-Q178 PolarHBondContact O-N 3.08Å; M176-A179 PolarHBondContact O-N 3.5Å; M176-L180 HydrophobicContact CG-CD1 4.12Å; M176-L180 HydrophobicContact CG-CG 4.5Å; M176-L180 WeakPolarHBondContact O-CB 3.48Å; M176-L180 VanDerWaalsContact O-CG 3.29Å; M176-L180 WeakPolarHBondContact O-CG 3.41Å; M176-L180 PolarHBondContact O-N 3.45Å
177E87.8Confident86.8Confident135 Ų13571.8 Ų71.863%0.63135%0.348SS*.Hα-helixtrans-64.2-32.7177.5-62.8-177.314900113V149 N175 G181V149-E177 WeakPolarHBondContact CG1-O 3.44Å; N175-E177 VanDerWaalsContact C-N 3.28Å; N175-E177 PolarHBondContact O-N 2.84Å; E177-G181 PolarHBondContact O-N 3.01Å
178Q86.4Confident86.8Confident84 Ų8470.7 Ų70.739%0.39334%0.342SS..Hα-helixtrans-74.6-40.2178.1-63.2170.4-58.800111.1Y174 N175 M176 G181 M182Y174-Q178 HydrophobicContact CD1-CB 3.68Å; Y174-Q178 HydrophobicContact CE1-CB 4.45Å; Y174-Q178 HydrophobicContact CG-CB 4.46Å; N175-Q178 HydrophobicContact CB-CG 4.2Å; N175-Q178 WeakPolarHBondContact O-CA 3.49Å; N175-Q178 WeakPolarHBondContact O-CB 3.45Å; N175-Q178 PolarHBondContact O-N 2.8Å; M176-Q178 VanDerWaalsContact C-N 3.3Å; M176-Q178 PolarHBondContact O-N 3.08Å; Q178-G181 PolarHBondContact O-N 3.34Å; Q178-M182 PolarHBondContact O-N 3.31Å
179A90.1Very high86.8Confident1 Ų173 Ų731%0.00836%0.355CS..Hα-helixtrans-62.9-48.4173.900000111.1Y164 A168 N175 M176 G181 M182 L183Y164-A179 HydrophobicContact CE1-CB 3.96Å; Y164-A179 WeakPolarHBondContact CE1-O 3.3Å; Y164-A179 PolarHBondContact OH-O 2.88Å; Y164-A179 VanDerWaalsContact OH-O 3.11Å; A168-A179 HydrophobicContact CB-CB 3.73Å; N175-A179 PolarHBondContact O-N 2.87Å; M176-A179 PolarHBondContact O-N 3.5Å; A179-G181 VanDerWaalsContact C-N 3.31Å; A179-G181 PolarHBondContact O-N 3.37Å; A179-M182 PolarHBondContact O-N 3.42Å; A179-L183 WeakPolarHBondContact O-CB 3.42Å; A179-L183 PolarHBondContact O-N 2.84Å
180L90.6Very high87Confident24 Ų2468.5 Ų68.513%0.12634%0.337CS..Hα-helixtrans-61.1-38.9175.1-67.2177.5000112.3V149 W150 L161 I165 M176 L183 L184V149-L180 CarbonylContact O-C 3.06Å; W150-L180 HydrophobicContact CB-CB 4.15Å; W150-L180 HydrophobicContact CB-CD1 4.41Å; W150-L180 HydrophobicContact CD2-CB 4.09Å; W150-L180 HydrophobicContact CD2-CD1 4.38Å; W150-L180 HydrophobicContact CD2-CD2 3.78Å; W150-L180 HydrophobicContact CD2-CG 4.3Å; W150-L180 HydrophobicContact CE3-CB 3.9Å; W150-L180 HydrophobicContact CE3-CD2 3.81Å; W150-L180 HydrophobicContact CE3-CG 4.39Å; W150-L180 HydrophobicContact CG-CB 4.22Å; W150-L180 HydrophobicContact CG-CD1 4.12Å; W150-L180 HydrophobicContact CG-CD2 4.38Å; W150-L180 HydrophobicContact CG-CG 4.48Å; W150-L180 HydrophobicContact CH2-CD2 4.03Å; W150-L180 HydrophobicContact CZ2-CD2 4.02Å; W150-L180 HydrophobicContact CZ3-CD2 3.93Å; L161-L180 HydrophobicContact CD1-CD2 3.83Å; I165-L180 HydrophobicContact CD1-CD2 3.94Å; I165-L180 HydrophobicContact CG1-CD2 4.34Å; M176-L180 HydrophobicContact CG-CD1 4.12Å; M176-L180 HydrophobicContact CG-CG 4.5Å; M176-L180 WeakPolarHBondContact O-CB 3.48Å; M176-L180 VanDerWaalsContact O-CG 3.29Å; M176-L180 WeakPolarHBondContact O-CG 3.41Å; M176-L180 PolarHBondContact O-N 3.45Å; L180-L183 PolarHBondContact O-N 3.49Å; L180-L184 WeakPolarHBondContact O-CB 3.39Å; L180-L184 PolarHBondContact O-N 3.34Å
181G89.1Confident87.1Confident22 Ų2269.7 Ų69.723%0.22734%0.343CS..Hα-helixtrans-61-43.3173.400000113.5V149 E177 Q178 A179 W185V149-G181 VanDerWaalsContact O-CA 3.28Å; V149-G181 WeakPolarHBondContact O-CA 3.29Å; V149-G181 PolarHBondContact O-N 3.02Å; E177-G181 PolarHBondContact O-N 3.01Å; Q178-G181 PolarHBondContact O-N 3.34Å; A179-G181 VanDerWaalsContact C-N 3.31Å; A179-G181 PolarHBondContact O-N 3.37Å; G181-W185 WeakPolarHBondContact O-CB 3.21Å; G181-W185 PolarHBondContact O-N 2.85Å
182M89.6Confident87.4Confident26 Ų2670.6 Ų70.613%0.12834%0.342CS..Hα-helixtrans-66.6-44.2175.4-163.164.67100111Y174 Q178 A179 L184 W185 H186 S193 L197 F200Y174-M182 HydrophobicContact CE1-CE 3.98Å; Q178-M182 PolarHBondContact O-N 3.31Å; A179-M182 PolarHBondContact O-N 3.42Å; M182-L184 VanDerWaalsContact C-N 3.32Å; M182-L184 PolarHBondContact O-N 2.95Å; M182-W185 WeakPolarHBondContact O-CB 3.29Å; M182-W185 PolarHBondContact O-N 3.09Å; M182-W185 VanDerWaalsContact O-N 3.16Å; M182-H186 PolarHBondContact O-CD2 3.01Å; M182-H186 PolarHBondContact O-N 3.11Å; M182-S193 WeakPolarHBondContact CG-OG 3.26Å; M182-L197 HydrophobicContact CG-CD2 4.27Å; M182-F200 HydrophobicContact CE-CB 3.53Å; M182-F200 HydrophobicContact CE-CD2 3.89Å; M182-F200 HydrophobicContact CE-CG 3.91Å; M182-F200 HydrophobicContact SD-CD2 4.19Å
183L91.3Very high88Confident0 Ų068.2 Ų68.20%033%0.331CS..Hα-helixtrans-63.2-38.2177.9-172.458.5000112W150 L156 L161 Y164 A179 L180 H186 K187 H188 V190 S193W150-L183 HydrophobicContact CH2-CD2 3.85Å; W150-L183 HydrophobicContact CH2-CG 4.44Å; W150-L183 HydrophobicContact CZ3-CB 4.17Å; W150-L183 HydrophobicContact CZ3-CD2 3.84Å; W150-L183 HydrophobicContact CZ3-CG 4.03Å; L156-L183 HydrophobicContact CD1-CD1 4.4Å; L156-L183 HydrophobicContact CD1-CD2 3.81Å; L156-L183 HydrophobicContact CD1-CG 4.34Å; L161-L183 HydrophobicContact CD1-CD2 3.37Å; Y164-L183 HydrophobicContact CD1-CB 4.49Å; Y164-L183 HydrophobicContact CD1-CD2 3.81Å; Y164-L183 HydrophobicContact CE1-CB 3.78Å; Y164-L183 HydrophobicContact CE1-CD2 3.94Å; Y164-L183 HydrophobicContact CE1-CG 4.31Å; Y164-L183 HydrophobicContact CG-CD2 4.42Å; A179-L183 WeakPolarHBondContact O-CB 3.42Å; A179-L183 PolarHBondContact O-N 2.84Å; L180-L183 PolarHBondContact O-N 3.49Å; L183-H186 CarbonylContact O-C 3.59Å; L183-H186 PolarHBondContact O-N 3.22Å; L183-K187 PolarHBondContact O-N 2.92Å; L183-H188 WeakPolarHBondContact O-CA 3.37Å; L183-H188 PolarHBondContact O-N 3.35Å; L183-V190 HydrophobicContact CD1-CG2 3.97Å; L183-S193 PolarHBondContact N-OG 3Å
184L89.9Confident88.4Confident36 Ų3667.7 Ų67.719%0.18832%0.315CS..Hα-helixtrans-64.9-41.3172.6179.863.1000112.2L148 V149 W150 L180 M182 H186 K187L148-L184 HydrophobicContact CD2-CD2 4.25Å; L148-L184 HydrophobicContact CG-CD2 3.97Å; L148-L184 WeakPolarHBondContact O-CD2 3.47Å; V149-L184 VanDerWaalsContact C-CD2 3.48Å; V149-L184 WeakPolarHBondContact O-CD2 3.5Å; W150-L184 HydrophobicContact CE3-CB 4.44Å; L180-L184 WeakPolarHBondContact O-CB 3.39Å; L180-L184 PolarHBondContact O-N 3.34Å; M182-L184 VanDerWaalsContact C-N 3.32Å; M182-L184 PolarHBondContact O-N 2.95Å; L184-H186 VanDerWaalsContact C-N 3.25Å; L184-H186 PolarHBondContact O-N 2.99Å; L184-K187 PolarHBondContact O-N 3.4Å
185W88.8Confident88.6Confident201 Ų20170.6 Ų70.676%0.76134%0.34SS*.Hα-helixtrans-58.4-39.2176.2-174-83.4000111.8G181 M182 K187G181-W185 WeakPolarHBondContact O-CB 3.21Å; G181-W185 PolarHBondContact O-N 2.85Å; M182-W185 WeakPolarHBondContact O-CB 3.29Å; M182-W185 PolarHBondContact O-N 3.09Å; M182-W185 VanDerWaalsContact O-N 3.16Å; W185-K187 PolarHBondContact O-N 3.38Å
186H89.9Confident88.6Confident29 Ų2969 Ų6913%0.13433%0.332CS..THydrogen-bonded Turntrans-82.411.9175.2-71.5-104.2000113.8M182 L183 L184 H188 D189 R192 D196M182-H186 PolarHBondContact O-CD2 3.01Å; M182-H186 PolarHBondContact O-N 3.11Å; L183-H186 CarbonylContact O-C 3.59Å; L183-H186 PolarHBondContact O-N 3.22Å; L184-H186 VanDerWaalsContact C-N 3.25Å; L184-H186 PolarHBondContact O-N 2.99Å; H186-H188 VanDerWaalsContact C-N 3.26Å; H186-H188 PolarHBondContact O-N 3.05Å; H186-D189 HydrophobicContact CB-CB 4.5Å; H186-D189 VanDerWaalsContact O-CB 3.27Å; H186-D189 WeakPolarHBondContact O-CB 3.43Å; H186-D189 PolarHBondContact O-N 3.47Å; H186-D189 VanDerWaalsContact O-N 3.14Å; H186-R192 PolarHBondContact CE1-O 3.25Å; H186-R192 WeakPolarHBondContact ND1-CB 3.45Å; H186-R192 PolarHBondContact ND1-O 2.8Å; H186-D196 IonicContact CE1-OD2 3.12Å; H186-D196 PolarHBondContact CE1-OD2 2.87Å; H186-D196 VanDerWaalsContact CE1-OD2 3.28Å; H186-D196 IonicContact NE2-OD2 3.32Å
187K87.9Confident88.5Confident180 Ų18063.8 Ų63.878%0.78331%0.306SS*.THydrogen-bonded Turntrans56.336.8-179.1-52.8177.4-178.8175.30113.6L183 L184 W185 D189L183-K187 PolarHBondContact O-N 2.92Å; L184-K187 PolarHBondContact O-N 3.4Å; W185-K187 PolarHBondContact O-N 3.38Å; K187-D189 VanDerWaalsContact C-N 3.28Å; K187-D189 PolarHBondContact O-N 2.97Å
188H90Very high87.9Confident21 Ų2160.1 Ų60.110%0.09730%0.298CS..THydrogen-bonded Turntrans68.918.1-177.2-49.289.5000115W150 C151 N153 L156 L183 H186 V190W150-H188 AromaticContact CH2-CD2 3.46Å; W150-H188 VanDerWaalsContact CH2-CD2 3.46Å; W150-H188 WeakPolarHBondContact CH2-CD2 3.38Å; W150-H188 AromaticContact CH2-NE2 3.72Å; W150-H188 AromaticContact CZ3-CD2 3.43Å; W150-H188 VanDerWaalsContact CZ3-CD2 3.43Å; W150-H188 WeakPolarHBondContact CZ3-CD2 3.24Å; W150-H188 AromaticContact CZ3-NE2 3.49Å; W150-H188 WeakPolarHBondContact CZ3-NE2 3.33Å; C151-H188 PolarHBondContact O-NE2 3.24Å; N153-H188 HydrophobicContact CB-CB 4.18Å; N153-H188 WeakPolarHBondContact ND2-CB 3.3Å; N153-H188 PolarHBondContact ND2-ND1 3.37Å; L156-H188 HydrophobicContact CD1-CB 3.8Å; L156-H188 HydrophobicContact CG-CB 4.14Å; L183-H188 WeakPolarHBondContact O-CA 3.37Å; L183-H188 PolarHBondContact O-N 3.35Å; H186-H188 VanDerWaalsContact C-N 3.26Å; H186-H188 PolarHBondContact O-N 3.05Å; H188-V190 PolarHBondContact O-N 3.42Å
189D88.2Confident87.4Confident49 Ų4961.6 Ų61.626%0.26231%0.309SS..  trans-78.7106.9167.6-171.3-47.5000110H186 K187 E191 R192 S193H186-D189 HydrophobicContact CB-CB 4.5Å; H186-D189 VanDerWaalsContact O-CB 3.27Å; H186-D189 WeakPolarHBondContact O-CB 3.43Å; H186-D189 PolarHBondContact O-N 3.47Å; H186-D189 VanDerWaalsContact O-N 3.14Å; K187-D189 VanDerWaalsContact C-N 3.28Å; K187-D189 PolarHBondContact O-N 2.97Å; D189-E191 PolarHBondContact OD1-N 3.35Å; D189-R192 HydrophobicContact CB-CB 4.29Å; D189-R192 HydrophobicContact CB-CG 4.44Å; D189-R192 WeakPolarHBondContact OD1-CB 3.27Å; D189-R192 WeakPolarHBondContact OD1-CG 3.5Å; D189-R192 PolarHBondContact OD1-N 3.29Å; D189-R192 IonicContact OD1-NE 3.53Å; D189-R192 VanDerWaalsContact OD2-CD 3.3Å; D189-R192 WeakPolarHBondContact OD2-CD 3.2Å; D189-R192 IonicContact OD2-CZ 3.53Å; D189-R192 IonicContact OD2-NE 3.9Å; D189-R192 PolarHBondContact OD2-NE 3.38Å; D189-R192 IonicContact OD2-NH2 3.66Å; D189-S193 VanDerWaalsContact O-CB 3.27Å; D189-S193 WeakPolarHBondContact O-CB 3.35Å; D189-S193 PolarHBondContact O-N 2.93Å; D189-S193 VanDerWaalsContact O-N 3.13Å
190V89.4Confident86.4Confident32 Ų3267.1 Ų67.119%0.19433%0.333CS..Hα-helixtrans-67-46.2-175.7173.30000111.7L156 Y164 L183 H188 S193 L194L156-V190 HydrophobicContact CD1-CG2 4.2Å; L156-V190 HydrophobicContact CD2-CG2 3.79Å; Y164-V190 HydrophobicContact CD2-CG1 3.95Å; Y164-V190 HydrophobicContact CG-CG1 4.43Å; L183-V190 HydrophobicContact CD1-CG2 3.97Å; H188-V190 PolarHBondContact O-N 3.42Å; V190-S193 PolarHBondContact O-N 2.85Å; V190-L194 HydrophobicContact CG1-CD1 3.87Å; V190-L194 HydrophobicContact CG1-CG 4.3Å; V190-L194 WeakPolarHBondContact O-CG 3.33Å; V190-L194 PolarHBondContact O-N 2.91Å
191E88.4Confident85Confident164 Ų16469 Ų6977%0.76635%0.346SS*.Hα-helixtrans-63.7-46.4-176.8-65.8-175.2170.500111.7D189 S193 L194 A195D189-E191 PolarHBondContact OD1-N 3.35Å; E191-S193 VanDerWaalsContact C-N 3.3Å; E191-S193 PolarHBondContact O-N 2.79Å; E191-L194 PolarHBondContact O-N 3Å; E191-A195 PolarHBondContact O-N 2.98Å; E191-A195 VanDerWaalsContact O-N 3.07Å
192R87.4Confident83.4Confident167 Ų16770.7 Ų70.763%0.6335%0.353SS*.Hα-helixtrans-65.4-36.2176.6-64.7-179.1-149.4-141.4-2.5111.9H186 D189 D196H186-R192 PolarHBondContact CE1-O 3.25Å; H186-R192 WeakPolarHBondContact ND1-CB 3.45Å; H186-R192 PolarHBondContact ND1-O 2.8Å; D189-R192 HydrophobicContact CB-CB 4.29Å; D189-R192 HydrophobicContact CB-CG 4.44Å; D189-R192 WeakPolarHBondContact OD1-CB 3.27Å; D189-R192 WeakPolarHBondContact OD1-CG 3.5Å; D189-R192 PolarHBondContact OD1-N 3.29Å; D189-R192 IonicContact OD1-NE 3.53Å; D189-R192 VanDerWaalsContact OD2-CD 3.3Å; D189-R192 WeakPolarHBondContact OD2-CD 3.2Å; D189-R192 IonicContact OD2-CZ 3.53Å; D189-R192 IonicContact OD2-NE 3.9Å; D189-R192 PolarHBondContact OD2-NE 3.38Å; D189-R192 IonicContact OD2-NH2 3.66Å; R192-D196 PolarHBondContact O-N 2.91Å
193S90.8Very high81.4Confident0 Ų079.4 Ų79.40%039%0.39CS..Hα-helixtrans-67.2-45177.9-166.20000111.3Y164 M182 L183 D189 V190 E191 A195 D196 L197Y164-S193 PolarHBondContact OH-OG 3.09Å; M182-S193 WeakPolarHBondContact CG-OG 3.26Å; L183-S193 PolarHBondContact N-OG 3Å; D189-S193 VanDerWaalsContact O-CB 3.27Å; D189-S193 WeakPolarHBondContact O-CB 3.35Å; D189-S193 PolarHBondContact O-N 2.93Å; D189-S193 VanDerWaalsContact O-N 3.13Å; V190-S193 PolarHBondContact O-N 2.85Å; E191-S193 VanDerWaalsContact C-N 3.3Å; E191-S193 PolarHBondContact O-N 2.79Å; S193-A195 VanDerWaalsContact C-N 3.32Å; S193-A195 PolarHBondContact O-N 2.81Å; S193-D196 PolarHBondContact O-N 2.97Å; S193-L197 WeakPolarHBondContact O-CG 3.39Å; S193-L197 PolarHBondContact O-N 3.4Å; S193-L197 VanDerWaalsContact O-N 3.12Å
194L87.6Confident79.7Confident48 Ų4883.4 Ų83.425%0.25142%0.416SS..Hα-helixtrans-58.7-41.4175.6-72.7171.5000112.3Y164 M167 V190 E191 D196 L197Y164-L194 HydrophobicContact CD2-CD2 3.64Å; Y164-L194 HydrophobicContact CD2-CG 3.82Å; Y164-L194 HydrophobicContact CE2-CD2 3.9Å; Y164-L194 HydrophobicContact CE2-CG 4.05Å; M167-L194 HydrophobicContact CB-CD2 4.16Å; M167-L194 HydrophobicContact CE-CD1 3.85Å; M167-L194 HydrophobicContact CE-CD2 4.21Å; V190-L194 HydrophobicContact CG1-CD1 3.87Å; V190-L194 HydrophobicContact CG1-CG 4.3Å; V190-L194 WeakPolarHBondContact O-CG 3.33Å; V190-L194 PolarHBondContact O-N 2.91Å; E191-L194 PolarHBondContact O-N 3Å; L194-D196 VanDerWaalsContact C-N 3.3Å; L194-D196 PolarHBondContact O-N 3.27Å; L194-L197 HydrophobicContact CD2-CD1 3.82Å; L194-L197 PolarHBondContact O-N 3.29Å
195A87.2Confident78.4Confident69 Ų6987 Ų8757%0.5744%0.436SS*.Hα-helixtrans-62.3-34.1178.800000113.4E191 S193E191-A195 PolarHBondContact O-N 2.98Å; E191-A195 VanDerWaalsContact O-N 3.07Å; S193-A195 VanDerWaalsContact C-N 3.32Å; S193-A195 PolarHBondContact O-N 2.81Å
196D84.7Confident77.5Confident52 Ų5283.6 Ų83.628%0.27843%0.428SS..Hα-helixtrans-92.7-10.5-179.1-92.4-40.9000114.4H186 R192 S193 L194 A198 N199 F200H186-D196 IonicContact CE1-OD2 3.12Å; H186-D196 PolarHBondContact CE1-OD2 2.87Å; H186-D196 VanDerWaalsContact CE1-OD2 3.28Å; H186-D196 IonicContact NE2-OD2 3.32Å; R192-D196 PolarHBondContact O-N 2.91Å; S193-D196 PolarHBondContact O-N 2.97Å; L194-D196 VanDerWaalsContact C-N 3.3Å; L194-D196 PolarHBondContact O-N 3.27Å; D196-A198 VanDerWaalsContact C-N 3.27Å; D196-A198 PolarHBondContact O-N 2.98Å; D196-N199 WeakPolarHBondContact O-CB 3.4Å; D196-N199 PolarHBondContact O-N 2.59Å; D196-N199 PolarHBondContact OD1-ND2 3.08Å; D196-F200 HydrophobicContact CB-CD2 4.12Å; D196-F200 HydrophobicContact CB-CE2 4.1Å; D196-F200 WeakPolarHBondContact O-CD2 3.32Å; D196-F200 PolarHBondContact O-N 3.01Å
197L83.7Confident76.9Confident0 Ų083.9 Ų83.90%043%0.428CS..Hα-helixtrans-53.2-43.8176.5-76.8175.2000112.5Y164 A168 H172 Y174 M182 S193 L194 N199 F200 T201Y164-L197 HydrophobicContact CE2-CD1 4.41Å; A168-L197 HydrophobicContact CB-CD1 3.65Å; A168-L197 HydrophobicContact CB-CD2 4.07Å; H172-L197 HydrophobicContact CB-CB 4.39Å; Y174-L197 HydrophobicContact CD1-CD2 3.87Å; Y174-L197 HydrophobicContact CD2-CD2 4.03Å; Y174-L197 HydrophobicContact CE1-CD2 3.62Å; Y174-L197 HydrophobicContact CE2-CB 4.25Å; Y174-L197 HydrophobicContact CE2-CD2 3.78Å; Y174-L197 WeakPolarHBondContact CE2-O 3.4Å; Y174-L197 HydrophobicContact CG-CD2 4.07Å; Y174-L197 PolarHBondContact OH-O 2.94Å; M182-L197 HydrophobicContact CG-CD2 4.27Å; S193-L197 WeakPolarHBondContact O-CG 3.39Å; S193-L197 PolarHBondContact O-N 3.4Å; S193-L197 VanDerWaalsContact O-N 3.12Å; L194-L197 HydrophobicContact CD2-CD1 3.82Å; L194-L197 PolarHBondContact O-N 3.29Å; L197-N199 VanDerWaalsContact C-N 3.29Å; L197-N199 PolarHBondContact O-N 2.94Å; L197-F200 PolarHBondContact O-N 3.14Å; L197-T201 PolarHBondContact O-N 3Å; L197-T201 VanDerWaalsContact O-N 3.12Å; L197-T201 PolarHBondContact O-OG1 3Å; L197-T201 VanDerWaalsContact O-OG1 3.08Å
198A75.4Confident76.5Confident57 Ų5778.2 Ų78.247%0.47141%0.409SS..Hα-helixtrans-62.1-36.8178.100000112.3D196 F200 T201D196-A198 VanDerWaalsContact C-N 3.27Å; D196-A198 PolarHBondContact O-N 2.98Å; A198-F200 VanDerWaalsContact C-N 3.33Å; A198-F200 PolarHBondContact O-N 3.26Å; A198-T201 PolarHBondContact O-OG1 3.05Å
199N74.8Confident76Confident116 Ų11681.8 Ų81.862%0.6243%0.432SS*.Hα-helixtrans-73.5-23.1-176.5-63.5-32.1000113.3D196 L197D196-N199 WeakPolarHBondContact O-CB 3.4Å; D196-N199 PolarHBondContact O-N 2.59Å; D196-N199 PolarHBondContact OD1-ND2 3.08Å; L197-N199 VanDerWaalsContact C-N 3.29Å; L197-N199 PolarHBondContact O-N 2.94Å
200F69.6Low75.7Confident116 Ų11685.1 Ų85.151%0.50945%0.446SS..Hα-helixtrans-115.16.8-177.8-65.4-70000114.6Y174 M182 D196 L197 A198 P202Y174-F200 WeakPolarHBondContact OH-CB 3.36Å; Y174-F200 PolarHBondContact OH-O 3.31Å; M182-F200 HydrophobicContact CE-CB 3.53Å; M182-F200 HydrophobicContact CE-CD2 3.89Å; M182-F200 HydrophobicContact CE-CG 3.91Å; M182-F200 HydrophobicContact SD-CD2 4.19Å; D196-F200 HydrophobicContact CB-CD2 4.12Å; D196-F200 HydrophobicContact CB-CE2 4.1Å; D196-F200 WeakPolarHBondContact O-CD2 3.32Å; D196-F200 PolarHBondContact O-N 3.01Å; L197-F200 PolarHBondContact O-N 3.14Å; A198-F200 VanDerWaalsContact C-N 3.33Å; A198-F200 PolarHBondContact O-N 3.26Å; F200-P202 WeakPolarHBondContact O-CD 3.38Å
201T61.6Low75.7Confident64 Ų6484.6 Ų84.639%0.39344%0.442SS..  trans-45.9111.4175.7-49.50000110.6Y174 L197 A198Y174-T201 PolarHBondContact OH-N 3.48Å; L197-T201 PolarHBondContact O-N 3Å; L197-T201 VanDerWaalsContact O-N 3.12Å; L197-T201 PolarHBondContact O-OG1 3Å; L197-T201 VanDerWaalsContact O-OG1 3.08Å; A198-T201 PolarHBondContact O-OG1 3.05Å
202P54.9Low75.6Confident57 Ų5780.4 Ų80.437%0.3742%0.421SS..PPolyproline II helixtrans-65.4143.7179.5-20.333000110.4F200 P204F200-P202 WeakPolarHBondContact O-CD 3.38Å; P202-P204 WeakPolarHBondContact O-CD 3.33Å
203F47.6Very low75.7Confident210 Ų21076.5 Ų76.592%0.92142%0.416SS*.PPolyproline II helixtrans-59.3123.5163.8-115.4-91.3000107.9D205F203-D205 PolarHBondContact O-N 3.13Å
204P56.9Low75.7Confident84 Ų8479.5 Ų79.555%0.54543%0.431SS..PPolyproline II helixtrans-66.2120.5-170.421.9-31.5000111.4P202 E206P202-P204 WeakPolarHBondContact O-CD 3.33Å; P204-E206 HydrophobicContact CB-CB 3.97Å; P204-E206 HydrophobicContact CB-CG 3.66Å; P204-E206 PolarHBondContact O-N 2.98Å
205D61.1Low75.9Confident112 Ų11277.2 Ų77.260%0.59942%0.419SS*.  trans-72.439.8165.4-174.542.6000110.2F203 K243F203-D205 PolarHBondContact O-N 3.13Å; D205-K243 IonicContact OD2-NZ 2.66Å; D205-K243 PolarHBondContact OD2-NZ 3.12Å
206E70.1Confident76.1Confident129 Ų12977.2 Ų77.260%0.60341%0.408SS*.  trans-91.1143.3-172.8-70-174149.400110.6P204 K236P204-E206 HydrophobicContact CB-CB 3.97Å; P204-E206 HydrophobicContact CB-CG 3.66Å; P204-E206 PolarHBondContact O-N 2.98Å; E206-K236 PolarHBondContact O-NZ 3.27Å
207W77.9Confident76.4Confident34 Ų3479.2 Ų79.213%0.12942%0.415CS..  trans-90.1114164-79.471.8000105.9D211 K212 F215 L233 K236 S240 L241 Y244W207-D211 HydrophobicContact CD2-CB 4.44Å; W207-D211 HydrophobicContact CE3-CB 3.65Å; W207-D211 HydrophobicContact CZ3-CB 4.13Å; W207-K212 HydrophobicContact CB-CG 4.18Å; W207-K212 HydrophobicContact CE3-CG 4.28Å; W207-K212 WeakPolarHBondContact O-CE 3.47Å; W207-K212 PolarHBondContact O-NZ 3.35Å; W207-F215 HydrophobicContact CH2-CB 4.19Å; W207-F215 AromaticContact CH2-CD2 3.83Å; W207-F215 HydrophobicContact CH2-CD2 3.83Å; W207-F215 HydrophobicContact CH2-CG 4.21Å; W207-F215 HydrophobicContact CZ3-CB 3.68Å; W207-F215 HydrophobicContact CZ3-CD2 4.18Å; W207-F215 HydrophobicContact CZ3-CG 4.09Å; W207-L233 HydrophobicContact CH2-CD1 4.22Å; W207-L233 HydrophobicContact CZ3-CD1 4.14Å; W207-K236 HydrophobicContact CH2-CG 4.39Å; W207-K236 HydrophobicContact CZ2-CG 4.38Å; W207-S240 PolarHBondContact NE1-OG 2.97Å; W207-L241 HydrophobicContact CH2-CD2 3.68Å; W207-L241 HydrophobicContact CZ2-CD2 4.1Å; W207-Y244 HydrophobicContact CB-CD2 4.49Å; W207-Y244 HydrophobicContact CB-CE2 4.48Å; W207-Y244 HydrophobicContact CD2-CD1 4.47Å; W207-Y244 AromaticContact CD2-CD2 3.5Å; W207-Y244 HydrophobicContact CD2-CD2 3.5Å; W207-Y244 HydrophobicContact CD2-CE2 4.04Å; W207-Y244 AromaticContact CD2-CG 3.77Å; W207-Y244 HydrophobicContact CD2-CG 3.77Å; W207-Y244 AromaticContact CE2-CD2 3.78Å; W207-Y244 AromaticContact CE2-CG 3.7Å; W207-Y244 HydrophobicContact CE3-CD1 4.13Å; W207-Y244 AromaticContact CE3-CD2 3.82Å; W207-Y244 HydrophobicContact CE3-CD2 3.82Å; W207-Y244 HydrophobicContact CE3-CE1 4.34Å; W207-Y244 HydrophobicContact CE3-CE2 4.05Å; W207-Y244 AromaticContact CE3-CG 3.89Å; W207-Y244 HydrophobicContact CE3-CG 3.89Å; W207-Y244 AromaticContact CG-CD2 3.8Å; W207-Y244 HydrophobicContact CG-CD2 3.8Å; W207-Y244 HydrophobicContact CG-CE2 4.23Å; W207-Y244 AromaticContact CH2-CD1 3.97Å; W207-Y244 HydrophobicContact CH2-CD1 3.97Å; W207-Y244 AromaticContact CH2-CG 3.87Å; W207-Y244 HydrophobicContact CH2-CG 3.87Å; W207-Y244 HydrophobicContact CZ2-CD1 4.32Å; W207-Y244 HydrophobicContact CZ2-CD2 4.31Å; W207-Y244 AromaticContact CZ2-CG 3.75Å; W207-Y244 HydrophobicContact CZ2-CG 3.75Å; W207-Y244 AromaticContact CZ3-CD1 3.89Å; W207-Y244 HydrophobicContact CZ3-CD1 3.89Å; W207-Y244 HydrophobicContact CZ3-CD2 4.36Å; W207-Y244 HydrophobicContact CZ3-CE1 4.29Å; W207-Y244 AromaticContact CZ3-CG 3.96Å; W207-Y244 HydrophobicContact CZ3-CG 3.96Å
208T80.1Confident76.7Confident61 Ų6179.2 Ų79.237%0.37442%0.416SS..  trans-68.9-174.6175.378.40000110.5E210 D211 K212T208-E210 WeakPolarHBondContact CB-OE2 3.4Å; T208-E210 PolarHBondContact OG1-N 3.45Å; T208-E210 PolarHBondContact OG1-OE2 3.28Å; T208-D211 WeakPolarHBondContact CG2-OD2 3.38Å; T208-D211 PolarHBondContact N-OD2 3.37Å; T208-D211 PolarHBondContact OG1-N 2.84Å; T208-D211 VanDerWaalsContact OG1-N 3.1Å; T208-D211 PolarHBondContact OG1-OD2 2.84Å; T208-K212 WeakPolarHBondContact O-CD 3.18Å; T208-K212 WeakPolarHBondContact O-CE 3.47Å; T208-K212 WeakPolarHBondContact O-CG 3.39Å; T208-K212 PolarHBondContact O-NZ 3.06Å
209V78.2Confident77.4Confident97 Ų9778.5 Ų78.559%0.58840%0.402SS*.Hα-helixtrans-75.3-37.9174.11800000109.7K212 V213V209-K212 PolarHBondContact O-N 3.4Å; V209-V213 WeakPolarHBondContact O-CG2 3.28Å; V209-V213 PolarHBondContact O-N 2.84Å; V209-V213 VanDerWaalsContact O-N 3.13Å
210E82.3Confident78Confident119 Ų11977 Ų7756%0.55640%0.401SS*.Hα-helixtrans-62.8-47.9178.9-53.166.4-139.600110.5T208 K212 V213 L214T208-E210 WeakPolarHBondContact CB-OE2 3.4Å; T208-E210 PolarHBondContact OG1-N 3.45Å; T208-E210 PolarHBondContact OG1-OE2 3.28Å; E210-K212 VanDerWaalsContact C-N 3.25Å; E210-K212 PolarHBondContact O-N 3.26Å; E210-V213 PolarHBondContact O-N 3.09Å; E210-L214 WeakPolarHBondContact O-CB 3.16Å; E210-L214 WeakPolarHBondContact O-CG 3.26Å; E210-L214 PolarHBondContact O-N 3.42Å
211D89.3Confident78.8Confident20 Ų2078.8 Ų78.811%0.10741%0.409CS..Hα-helixtrans-53-42.4174.4-74.6-44000112.6W207 T208 F215 K236W207-D211 HydrophobicContact CD2-CB 4.44Å; W207-D211 HydrophobicContact CE3-CB 3.65Å; W207-D211 HydrophobicContact CZ3-CB 4.13Å; T208-D211 WeakPolarHBondContact CG2-OD2 3.38Å; T208-D211 PolarHBondContact N-OD2 3.37Å; T208-D211 PolarHBondContact OG1-N 2.84Å; T208-D211 VanDerWaalsContact OG1-N 3.1Å; T208-D211 PolarHBondContact OG1-OD2 2.84Å; D211-F215 VanDerWaalsContact O-CB 3.31Å; D211-F215 WeakPolarHBondContact O-CB 3.25Å; D211-F215 PolarHBondContact O-N 3.31Å; D211-K236 WeakPolarHBondContact OD1-CE 3.25Å; D211-K236 IonicContact OD1-NZ 3.97Å; D211-K236 WeakPolarHBondContact OD2-CE 3.28Å; D211-K236 IonicContact OD2-NZ 2.68Å; D211-K236 PolarHBondContact OD2-NZ 3.47Å
212K87.5Confident80.1Confident76 Ų7678.7 Ų78.733%0.3340%0.403SS..Hα-helixtrans-70.9-39.7-176.8-63.8173.7-170.6101.50111.1W207 T208 V209 E210 E216 Y244W207-K212 HydrophobicContact CB-CG 4.18Å; W207-K212 HydrophobicContact CE3-CG 4.28Å; W207-K212 WeakPolarHBondContact O-CE 3.47Å; W207-K212 PolarHBondContact O-NZ 3.35Å; T208-K212 WeakPolarHBondContact O-CD 3.18Å; T208-K212 WeakPolarHBondContact O-CE 3.47Å; T208-K212 WeakPolarHBondContact O-CG 3.39Å; T208-K212 PolarHBondContact O-NZ 3.06Å; V209-K212 PolarHBondContact O-N 3.4Å; E210-K212 VanDerWaalsContact C-N 3.25Å; E210-K212 PolarHBondContact O-N 3.26Å; K212-E216 WeakPolarHBondContact O-CB 3.27Å; K212-E216 PolarHBondContact O-N 3.35Å; K212-Y244 HydrophobicContact CD-CE2 4.49Å; K212-Y244 HydrophobicContact CG-CE2 3.98Å; K212-Y244 WeakPolarHBondContact CG-OH 3.28Å
213V89.3Confident81.6Confident85 Ų8577.3 Ų77.352%0.51540%0.399SS..Hα-helixtrans-67.8-46.6175.41740000110.5V209 E210 F215 E216 Q217V209-V213 WeakPolarHBondContact O-CG2 3.28Å; V209-V213 PolarHBondContact O-N 2.84Å; V209-V213 VanDerWaalsContact O-N 3.13Å; E210-V213 PolarHBondContact O-N 3.09Å; V213-F215 VanDerWaalsContact C-N 3.33Å; V213-F215 PolarHBondContact O-N 2.79Å; V213-E216 PolarHBondContact O-N 3.32Å; V213-Q217 WeakPolarHBondContact O-CB 3.29Å; V213-Q217 PolarHBondContact O-N 2.6Å
214L90.4Very high83.6Confident63 Ų6374.6 Ų74.633%0.3339%0.387SS..Hα-helixtrans-59.9-41.2175.4-74.8170.8000112E210 A218 M232 L233E210-L214 WeakPolarHBondContact O-CB 3.16Å; E210-L214 WeakPolarHBondContact O-CG 3.26Å; E210-L214 PolarHBondContact O-N 3.42Å; L214-A218 WeakPolarHBondContact O-CB 3.44Å; L214-A218 PolarHBondContact O-N 2.87Å; L214-M232 HydrophobicContact CD2-CE 4.41Å; L214-L233 HydrophobicContact CB-CD1 4.47Å; L214-L233 HydrophobicContact CB-CD2 3.81Å; L214-L233 HydrophobicContact CB-CG 4.22Å; L214-L233 HydrophobicContact CD1-CD2 3.91Å
215F91.9Very high85.2Confident0 Ų073.4 Ų73.40%038%0.381CS..Hα-helixtrans-65-43.7173.9176.8-84.6000112.2W207 D211 V213 Q217 A218 F219 F226 I229 L233 L241 Y244 Y245 W248W207-F215 HydrophobicContact CH2-CB 4.19Å; W207-F215 AromaticContact CH2-CD2 3.83Å; W207-F215 HydrophobicContact CH2-CD2 3.83Å; W207-F215 HydrophobicContact CH2-CG 4.21Å; W207-F215 HydrophobicContact CZ3-CB 3.68Å; W207-F215 HydrophobicContact CZ3-CD2 4.18Å; W207-F215 HydrophobicContact CZ3-CG 4.09Å; D211-F215 VanDerWaalsContact O-CB 3.31Å; D211-F215 WeakPolarHBondContact O-CB 3.25Å; D211-F215 PolarHBondContact O-N 3.31Å; V213-F215 VanDerWaalsContact C-N 3.33Å; V213-F215 PolarHBondContact O-N 2.79Å; F215-Q217 VanDerWaalsContact C-N 3.34Å; F215-Q217 PolarHBondContact O-N 3.45Å; F215-A218 PolarHBondContact O-N 3.35Å; F215-F219 HydrophobicContact CE1-CB 4.24Å; F215-F219 HydrophobicContact CE1-CD2 4.4Å; F215-F219 HydrophobicContact CE1-CG 4.47Å; F215-F219 HydrophobicContact CZ-CD2 4.21Å; F215-F219 WeakPolarHBondContact O-CB 3.41Å; F215-F219 PolarHBondContact O-N 3.02Å; F215-F226 HydrophobicContact CE2-CE1 4.39Å; F215-F226 HydrophobicContact CZ-CE1 4.44Å; F215-I229 HydrophobicContact CD2-CG2 3.84Å; F215-I229 HydrophobicContact CE2-CD1 4.28Å; F215-I229 HydrophobicContact CE2-CG2 4.16Å; F215-L233 HydrophobicContact CB-CD1 3.81Å; F215-L233 HydrophobicContact CD2-CD1 4.46Å; F215-L241 HydrophobicContact CD2-CD2 4.19Å; F215-L241 HydrophobicContact CE2-CB 4.39Å; F215-Y244 HydrophobicContact CB-CE1 4.4Å; F215-Y244 AromaticContact CD1-CD1 3.6Å; F215-Y244 HydrophobicContact CD1-CD1 3.6Å; F215-Y244 AromaticContact CD1-CE1 3.5Å; F215-Y244 HydrophobicContact CD1-CE1 3.5Å; F215-Y244 HydrophobicContact CD2-CD1 4.12Å; F215-Y244 AromaticContact CE1-CD1 3.76Å; F215-Y244 HydrophobicContact CE1-CD1 3.76Å; F215-Y244 AromaticContact CE1-CE1 3.94Å; F215-Y244 HydrophobicContact CE1-CE1 3.94Å; F215-Y244 HydrophobicContact CE2-CD1 4.25Å; F215-Y244 AromaticContact CG-CD1 3.8Å; F215-Y244 HydrophobicContact CG-CD1 3.8Å; F215-Y244 AromaticContact CG-CE1 3.95Å; F215-Y244 HydrophobicContact CG-CE1 3.95Å; F215-Y244 HydrophobicContact CZ-CD1 4.1Å; F215-Y245 HydrophobicContact CZ-CD2 4.4Å; F215-W248 HydrophobicContact CE1-CD2 4.24Å; F215-W248 HydrophobicContact CE1-CE3 4.08Å; F215-W248 HydrophobicContact CE1-CZ3 4.32Å
216E90.7Very high86.7Confident69 Ų6969.6 Ų69.632%0.32236%0.359SS..Hα-helixtrans-62.9-41.3179178.3150.416100111.9K212 V213 F219 S220 W248 R252K212-E216 WeakPolarHBondContact O-CB 3.27Å; K212-E216 PolarHBondContact O-N 3.35Å; V213-E216 PolarHBondContact O-N 3.32Å; E216-F219 PolarHBondContact O-N 3Å; E216-S220 PolarHBondContact O-N 3.13Å; E216-W248 HydrophobicContact CB-CZ2 4.27Å; E216-W248 HydrophobicContact CG-CZ2 3.95Å; E216-W248 WeakPolarHBondContact OE2-CZ2 3.32Å; E216-W248 PolarHBondContact OE2-NE1 2.85Å; E216-R252 IonicContact OE1-CZ 2.79Å; E216-R252 IonicContact OE1-NH1 2.8Å; E216-R252 PolarHBondContact OE1-NH1 3.28Å; E216-R252 IonicContact OE1-NH2 2.86Å; E216-R252 PolarHBondContact OE1-NH2 2.9Å; E216-R252 IonicContact OE2-CZ 3.09Å; E216-R252 IonicContact OE2-NH1 3.14Å; E216-R252 PolarHBondContact OE2-NH1 3.03Å; E216-R252 IonicContact OE2-NH2 2.81Å
217Q90.4Very high87.7Confident94 Ų9469.6 Ų69.644%0.43936%0.359SS..Hα-helixtrans-71.4-42.7176.7-169.1170.410.100112.2V213 F215 F219 S220 F221V213-Q217 WeakPolarHBondContact O-CB 3.29Å; V213-Q217 PolarHBondContact O-N 2.6Å; F215-Q217 VanDerWaalsContact C-N 3.34Å; F215-Q217 PolarHBondContact O-N 3.45Å; Q217-F219 VanDerWaalsContact C-N 3.3Å; Q217-F219 PolarHBondContact O-N 3Å; Q217-S220 PolarHBondContact O-N 3.32Å; Q217-S220 PolarHBondContact O-OG 3.32Å; Q217-F221 HydrophobicContact CG-CD2 4.13Å; Q217-F221 HydrophobicContact CG-CE2 3.77Å; Q217-F221 WeakPolarHBondContact O-CD2 3.47Å; Q217-F221 PolarHBondContact O-N 3.18Å
218A89.8Confident88.3Confident1 Ų173.7 Ų73.71%0.00837%0.374CS..Hα-helixtrans-63.9-36.5173.700000111.7L214 F215 H222 I229 M232L214-A218 WeakPolarHBondContact O-CB 3.44Å; L214-A218 PolarHBondContact O-N 2.87Å; F215-A218 PolarHBondContact O-N 3.35Å; A218-H222 VanDerWaalsContact O-CB 3.27Å; A218-H222 WeakPolarHBondContact O-CB 3.34Å; A218-H222 PolarHBondContact O-N 3.29Å; A218-I229 HydrophobicContact CB-CB 4.29Å; A218-I229 HydrophobicContact CB-CG1 4.03Å; A218-I229 HydrophobicContact CB-CG2 3.98Å; A218-M232 HydrophobicContact CB-CB 3.91Å; A218-M232 HydrophobicContact CB-CG 3.86Å
219F91.9Very high88.9Confident42 Ų4270.8 Ų70.818%0.18436%0.356CS..Hα-helixtrans-70.6-33.5175.9-172.9-85000112.5F215 E216 Q217 G223 K224 I229 Y245 W248F215-F219 HydrophobicContact CE1-CB 4.24Å; F215-F219 HydrophobicContact CE1-CD2 4.4Å; F215-F219 HydrophobicContact CE1-CG 4.47Å; F215-F219 HydrophobicContact CZ-CD2 4.21Å; F215-F219 WeakPolarHBondContact O-CB 3.41Å; F215-F219 PolarHBondContact O-N 3.02Å; E216-F219 PolarHBondContact O-N 3Å; Q217-F219 VanDerWaalsContact C-N 3.3Å; Q217-F219 PolarHBondContact O-N 3Å; F219-G223 WeakPolarHBondContact CD2-O 3.36Å; F219-G223 WeakPolarHBondContact CE2-O 3.41Å; F219-G223 VanDerWaalsContact O-CA 3.26Å; F219-G223 WeakPolarHBondContact O-CA 3.46Å; F219-G223 PolarHBondContact O-N 3.12Å; F219-K224 HydrophobicContact CE2-CG 4.45Å; F219-I229 HydrophobicContact CB-CD1 4.11Å; F219-I229 HydrophobicContact CD2-CD1 3.91Å; F219-I229 HydrophobicContact CG-CD1 4.49Å; F219-Y245 HydrophobicContact CD2-CD2 4.18Å; F219-Y245 HydrophobicContact CD2-CE2 4.34Å; F219-Y245 AromaticContact CE2-CD2 3.62Å; F219-Y245 HydrophobicContact CE2-CD2 3.62Å; F219-Y245 AromaticContact CE2-CE2 3.38Å; F219-Y245 HydrophobicContact CE2-CE2 3.38Å; F219-Y245 HydrophobicContact CZ-CD2 4.19Å; F219-Y245 AromaticContact CZ-CE2 3.53Å; F219-Y245 HydrophobicContact CZ-CE2 3.53Å; F219-W248 AromaticContact CD1-CH2 3.67Å; F219-W248 HydrophobicContact CD1-CH2 3.67Å; F219-W248 AromaticContact CD1-CZ3 3.95Å; F219-W248 HydrophobicContact CD1-CZ3 3.95Å; F219-W248 HydrophobicContact CE1-CH2 4.11Å; F219-W248 HydrophobicContact CE1-CZ3 4.08Å; F219-W248 HydrophobicContact CG-CH2 4.16Å; F219-W248 HydrophobicContact CG-CZ3 4.27Å; F219-W248 HydrophobicContact CZ-CZ3 4.49Å
220S87.3Confident89.6Confident85 Ų8568.5 Ų68.559%0.59434%0.339SS*.Hα-helixtrans-68.6-34.7175.664.80000112.6E216 Q217E216-S220 PolarHBondContact O-N 3.13Å; Q217-S220 PolarHBondContact O-N 3.32Å; Q217-S220 PolarHBondContact O-OG 3.32Å
221F86.6Confident90Very high153 Ų15369.1 Ų69.167%0.67134%0.342SS*.Hα-helixtrans-85.1-27.3176.2-67.9-62.2000114.9Q217Q217-F221 HydrophobicContact CG-CD2 4.13Å; Q217-F221 HydrophobicContact CG-CE2 3.77Å; Q217-F221 WeakPolarHBondContact O-CD2 3.47Å; Q217-F221 PolarHBondContact O-N 3.18Å
222H88.1Confident89.8Confident61 Ų6172.3 Ų72.328%0.28236%0.358SS..Hα-helixtrans-126.22-169.1-55.5-39.2000114.7A218 K224 S225 R228 I229A218-H222 VanDerWaalsContact O-CB 3.27Å; A218-H222 WeakPolarHBondContact O-CB 3.34Å; A218-H222 PolarHBondContact O-N 3.29Å; H222-K224 PolarHBondContact O-N 3.06Å; H222-S225 VanDerWaalsContact O-CB 3.23Å; H222-S225 WeakPolarHBondContact O-CB 3.26Å; H222-S225 PolarHBondContact O-N 3.4Å; H222-R228 HydrophobicContact CB-CB 4.25Å; H222-R228 HydrophobicContact CB-CG 3.86Å; H222-R228 WeakPolarHBondContact CD2-CG 3.49Å; H222-R228 VanDerWaalsContact CG-CG 3.42Å; H222-R228 PolarHBondContact NE2-NE 3.24Å; H222-I229 HydrophobicContact CB-CG1 4.5Å
223G87.1Confident89.8Confident28 Ų2869 Ų6929%0.28934%0.344SS..THydrogen-bonded Turntrans55.1-133174.700000112.6F219 S225 I229F219-G223 WeakPolarHBondContact CD2-O 3.36Å; F219-G223 WeakPolarHBondContact CE2-O 3.41Å; F219-G223 VanDerWaalsContact O-CA 3.26Å; F219-G223 WeakPolarHBondContact O-CA 3.46Å; F219-G223 PolarHBondContact O-N 3.12Å; G223-S225 PolarHBondContact O-N 3.29Å; G223-I229 WeakPolarHBondContact O-CD1 3.26Å
224K88.8Confident89.6Confident153 Ų15369.2 Ų69.267%0.66535%0.347SS*.THydrogen-bonded Turntrans-79.59.9179-58177.9-168.2161.60114.1F219 H222 F226F219-K224 HydrophobicContact CE2-CG 4.45Å; H222-K224 PolarHBondContact O-N 3.06Å; K224-F226 VanDerWaalsContact C-N 3.26Å; K224-F226 HydrophobicContact CB-CE2 4.35Å; K224-F226 WeakPolarHBondContact O-CD2 3.49Å; K224-F226 WeakPolarHBondContact O-CE2 3.45Å; K224-F226 PolarHBondContact O-N 3.36Å
225S90.7Very high89.2Confident59 Ų5973.3 Ų73.341%0.41337%0.369SS..  trans-76.477.7179.5-169.10000110.8H222 G223 H227 R228 I229H222-S225 VanDerWaalsContact O-CB 3.23Å; H222-S225 WeakPolarHBondContact O-CB 3.26Å; H222-S225 PolarHBondContact O-N 3.4Å; G223-S225 PolarHBondContact O-N 3.29Å; S225-H227 VanDerWaalsContact C-N 3.25Å; S225-H227 PolarHBondContact O-N 3.46Å; S225-R228 CarbonylContact O-C 3.59Å; S225-R228 WeakPolarHBondContact O-CA 3.2Å; S225-R228 WeakPolarHBondContact O-CB 3.3Å; S225-R228 PolarHBondContact O-N 3.2Å; S225-R228 WeakPolarHBondContact OG-CB 3.26Å; S225-I229 PolarHBondContact O-N 2.67Å
226F92Very high88.9Confident32 Ų3275 Ų7514%0.1438%0.376CS..Hα-helixtrans-59.7-33.3-175.9-66.8-71.6000113.4F215 K224 R228 I229 Q230 I238 L241 V242 Y245F215-F226 HydrophobicContact CE2-CE1 4.39Å; F215-F226 HydrophobicContact CZ-CE1 4.44Å; K224-F226 VanDerWaalsContact C-N 3.26Å; K224-F226 HydrophobicContact CB-CE2 4.35Å; K224-F226 WeakPolarHBondContact O-CD2 3.49Å; K224-F226 WeakPolarHBondContact O-CE2 3.45Å; K224-F226 PolarHBondContact O-N 3.36Å; F226-R228 VanDerWaalsContact C-N 3.28Å; F226-R228 PolarHBondContact O-N 3.17Å; F226-I229 HydrophobicContact CD1-CD1 4.31Å; F226-I229 PolarHBondContact O-N 3.36Å; F226-Q230 WeakPolarHBondContact O-CB 3.37Å; F226-Q230 PolarHBondContact O-N 2.73Å; F226-I238 HydrophobicContact CB-CG2 4.09Å; F226-L241 HydrophobicContact CD1-CB 3.93Å; F226-L241 WeakPolarHBondContact O-CD1 3.43Å; F226-V242 HydrophobicContact CB-CG2 4.46Å; F226-V242 HydrophobicContact CD1-CG2 3.95Å; F226-V242 HydrophobicContact CD2-CG2 3.71Å; F226-V242 HydrophobicContact CE1-CG2 4.09Å; F226-V242 HydrophobicContact CE2-CG2 3.85Å; F226-V242 HydrophobicContact CG-CG2 3.76Å; F226-V242 HydrophobicContact CZ-CG2 4.04Å; F226-Y245 HydrophobicContact CE1-CG 4.12Å; F226-Y245 AromaticContact CZ-CD1 3.9Å; F226-Y245 HydrophobicContact CZ-CD1 3.9Å; F226-Y245 HydrophobicContact CZ-CD2 4.27Å; F226-Y245 AromaticContact CZ-CG 3.71Å; F226-Y245 HydrophobicContact CZ-CG 3.71Å
227H92.3Very high88.8Confident129 Ų12977.1 Ų77.160%0.59739%0.389SS*.Hα-helixtrans-63.3-33.1172.3-63.2105.2000112.8S225 I238S225-H227 VanDerWaalsContact C-N 3.25Å; S225-H227 PolarHBondContact O-N 3.46Å; H227-I238 VanDerWaalsContact CD2-CD1 3.46Å; H227-I238 WeakPolarHBondContact CD2-CD1 3.29Å
228R90.2Very high88.8Confident120 Ų12075.4 Ų75.445%0.45338%0.383SS..Hα-helixtrans-82.3-34176.2-177.257.9174.1-157.9-8.3112H222 S225 F226 Q230 Q231H222-R228 HydrophobicContact CB-CB 4.25Å; H222-R228 HydrophobicContact CB-CG 3.86Å; H222-R228 WeakPolarHBondContact CD2-CG 3.49Å; H222-R228 VanDerWaalsContact CG-CG 3.42Å; H222-R228 PolarHBondContact NE2-NE 3.24Å; S225-R228 CarbonylContact O-C 3.59Å; S225-R228 WeakPolarHBondContact O-CA 3.2Å; S225-R228 WeakPolarHBondContact O-CB 3.3Å; S225-R228 PolarHBondContact O-N 3.2Å; S225-R228 WeakPolarHBondContact OG-CB 3.26Å; F226-R228 VanDerWaalsContact C-N 3.28Å; F226-R228 PolarHBondContact O-N 3.17Å; R228-Q230 VanDerWaalsContact C-N 3.29Å; R228-Q230 PolarHBondContact O-N 3.22Å; R228-Q231 WeakPolarHBondContact O-CB 3.29Å; R228-Q231 PolarHBondContact O-N 3.17Å
229I91.8Very high88.6Confident0 Ų079.3 Ų79.30%041%0.41CS..Hα-helixtrans-61.9-38.7169-66.6171.9000110.7F215 A218 F219 H222 G223 S225 F226 Q231 M232 L233 L241F215-I229 HydrophobicContact CD2-CG2 3.84Å; F215-I229 HydrophobicContact CE2-CD1 4.28Å; F215-I229 HydrophobicContact CE2-CG2 4.16Å; A218-I229 HydrophobicContact CB-CB 4.29Å; A218-I229 HydrophobicContact CB-CG1 4.03Å; A218-I229 HydrophobicContact CB-CG2 3.98Å; F219-I229 HydrophobicContact CB-CD1 4.11Å; F219-I229 HydrophobicContact CD2-CD1 3.91Å; F219-I229 HydrophobicContact CG-CD1 4.49Å; H222-I229 HydrophobicContact CB-CG1 4.5Å; G223-I229 WeakPolarHBondContact O-CD1 3.26Å; S225-I229 PolarHBondContact O-N 2.67Å; F226-I229 HydrophobicContact CD1-CD1 4.31Å; F226-I229 PolarHBondContact O-N 3.36Å; I229-Q231 PolarHBondContact O-N 2.9Å; I229-M232 WeakPolarHBondContact O-CA 3.29Å; I229-M232 WeakPolarHBondContact O-CB 3.42Å; I229-M232 PolarHBondContact O-N 3.31Å; I229-L233 HydrophobicContact CG2-CD1 4.45Å; I229-L233 PolarHBondContact O-N 3.23Å; I229-L241 HydrophobicContact CB-CD1 4.36Å; I229-L241 HydrophobicContact CG2-CD1 4.05Å; I229-L241 HydrophobicContact CG2-CD2 4.18Å
230Q92.7Very high88.4Confident49 Ų4977.9 Ų77.923%0.22941%0.405CS..Hα-helixtrans-61.7-25.8176.4-164.6178.816.400113F226 R228 M232 L233 P234 L241F226-Q230 WeakPolarHBondContact O-CB 3.37Å; F226-Q230 PolarHBondContact O-N 2.73Å; R228-Q230 VanDerWaalsContact C-N 3.29Å; R228-Q230 PolarHBondContact O-N 3.22Å; Q230-M232 PolarHBondContact O-N 3.14Å; Q230-L233 CarbonylContact O-C 3.44Å; Q230-L233 PolarHBondContact O-N 3.11Å; Q230-L233 VanDerWaalsContact O-N 3.11Å; Q230-P234 WeakPolarHBondContact O-CA 3.14Å; Q230-P234 VanDerWaalsContact O-N 3.11Å; Q230-L241 HydrophobicContact CB-CD1 3.77Å; Q230-L241 HydrophobicContact CG-CD1 4.32Å
231Q91.9Very high88.6Confident132 Ų13273.8 Ų73.862%0.61738%0.376SS*.THydrogen-bonded Turntrans-69.6-18.5174.4-64.6171.6200112.6R228 I229R228-Q231 WeakPolarHBondContact O-CB 3.29Å; R228-Q231 PolarHBondContact O-N 3.17Å; I229-Q231 PolarHBondContact O-N 2.9Å
232M84.9Confident88.8Confident87 Ų8768.7 Ų68.743%0.42936%0.358SS..THydrogen-bonded Turntrans-93.9-15.1170-65.8-73.3-63.500113.1L214 A218 I229 Q230L214-M232 HydrophobicContact CD2-CE 4.41Å; A218-M232 HydrophobicContact CB-CB 3.91Å; A218-M232 HydrophobicContact CB-CG 3.86Å; I229-M232 WeakPolarHBondContact O-CA 3.29Å; I229-M232 WeakPolarHBondContact O-CB 3.42Å; I229-M232 PolarHBondContact O-N 3.31Å; Q230-M232 PolarHBondContact O-N 3.14Å
233L87.9Confident88.7Confident7 Ų772.1 Ų72.14%0.03737%0.372CS..  trans-140.666.8-175-74.7174.5000110W207 L214 F215 I229 Q230 D235 K236 L241W207-L233 HydrophobicContact CH2-CD1 4.22Å; W207-L233 HydrophobicContact CZ3-CD1 4.14Å; L214-L233 HydrophobicContact CB-CD1 4.47Å; L214-L233 HydrophobicContact CB-CD2 3.81Å; L214-L233 HydrophobicContact CB-CG 4.22Å; L214-L233 HydrophobicContact CD1-CD2 3.91Å; F215-L233 HydrophobicContact CB-CD1 3.81Å; F215-L233 HydrophobicContact CD2-CD1 4.46Å; I229-L233 HydrophobicContact CG2-CD1 4.45Å; I229-L233 PolarHBondContact O-N 3.23Å; Q230-L233 CarbonylContact O-C 3.44Å; Q230-L233 PolarHBondContact O-N 3.11Å; Q230-L233 VanDerWaalsContact O-N 3.11Å; L233-D235 VanDerWaalsContact C-N 3.26Å; L233-D235 PolarHBondContact O-N 2.86Å; L233-K236 HydrophobicContact CB-CB 4.26Å; L233-K236 HydrophobicContact CB-CG 4.22Å; L233-K236 PolarHBondContact O-N 3.49Å; L233-K236 VanDerWaalsContact O-N 3.12Å; L233-L241 HydrophobicContact CB-CD2 4.36Å; L233-L241 HydrophobicContact CD1-CD2 4.05Å
234P84.5Confident88.7Confident89 Ų8972.1 Ų72.158%0.57836%0.363SS*.THydrogen-bonded Turntrans-61.4-35.5-171.424.2-34.3000112.7Q230 K236Q230-P234 WeakPolarHBondContact O-CA 3.14Å; Q230-P234 VanDerWaalsContact O-N 3.11Å; P234-K236 PolarHBondContact O-N 3.18Å
235D81.9Confident88.8Confident149 Ų14965.5 Ų65.580%0.79733%0.334SS*.THydrogen-bonded Turntrans-74.9-9.5-178.6-54.3-53.6000113.6L233L233-D235 VanDerWaalsContact C-N 3.26Å; L233-D235 PolarHBondContact O-N 2.86Å
236K84.9Confident88.5Confident35 Ų3569.7 Ų69.715%0.15234%0.342CS..SBendtrans-101.9111.5176-54.6-53.2-175.5-171.50110.2E206 W207 D211 L233 P234 L241E206-K236 PolarHBondContact O-NZ 3.27Å; W207-K236 HydrophobicContact CH2-CG 4.39Å; W207-K236 HydrophobicContact CZ2-CG 4.38Å; D211-K236 WeakPolarHBondContact OD1-CE 3.25Å; D211-K236 IonicContact OD1-NZ 3.97Å; D211-K236 WeakPolarHBondContact OD2-CE 3.28Å; D211-K236 IonicContact OD2-NZ 2.68Å; D211-K236 PolarHBondContact OD2-NZ 3.47Å; L233-K236 HydrophobicContact CB-CB 4.26Å; L233-K236 HydrophobicContact CB-CG 4.22Å; L233-K236 PolarHBondContact O-N 3.49Å; L233-K236 VanDerWaalsContact O-N 3.12Å; P234-K236 PolarHBondContact O-N 3.18Å; K236-L241 HydrophobicContact CB-CD2 3.62Å; K236-L241 HydrophobicContact CB-CG 4.29Å; K236-L241 HydrophobicContact CG-CD2 4.49Å
237L89.9Confident87.8Confident114 Ų11471.1 Ų71.160%0.59736%0.356SS*.  trans-58.8147.6174.6-59.4-179.9000111.5S239 S240 L241L237-S239 PolarHBondContact O-N 2.66Å; L237-S239 VanDerWaalsContact O-N 3.07Å; L237-S240 WeakPolarHBondContact O-CA 3.49Å; L237-S240 WeakPolarHBondContact O-CB 3.45Å; L237-S240 PolarHBondContact O-N 2.91Å; L237-L241 PolarHBondContact O-N 3.06Å
238I90Very high87.3Confident59 Ų5966.5 Ų66.530%0.30333%0.333SS..Hα-helixtrans-49.6-38.8177.9-57.8161.7000111.8F226 H227 S240 L241 V242F226-I238 HydrophobicContact CB-CG2 4.09Å; H227-I238 VanDerWaalsContact CD2-CD1 3.46Å; H227-I238 WeakPolarHBondContact CD2-CD1 3.29Å; I238-S240 PolarHBondContact O-N 3.31Å; I238-L241 PolarHBondContact O-N 2.8Å; I238-V242 HydrophobicContact CG2-CG2 4.34Å; I238-V242 WeakPolarHBondContact O-CB 2.84Å; I238-V242 VanDerWaalsContact O-CG2 3.28Å; I238-V242 WeakPolarHBondContact O-CG2 3.36Å; I238-V242 PolarHBondContact O-N 3.32Å
239S85Confident86.6Confident83 Ų8364.8 Ų64.858%0.5833%0.329SS*.Hα-helixtrans-60.7-39.5174.749.60000113.2L237 K243L237-S239 PolarHBondContact O-N 2.66Å; L237-S239 VanDerWaalsContact O-N 3.07Å; S239-K243 WeakPolarHBondContact O-CB 3.49Å; S239-K243 PolarHBondContact O-N 3.34Å
240S87.8Confident85.3Confident11 Ų1172.5 Ų72.58%0.07736%0.363CS..Hα-helixtrans-71.9-41.6174.3-1620000111.3W207 L237 I238 V242 K243 Y244W207-S240 PolarHBondContact NE1-OG 2.97Å; L237-S240 WeakPolarHBondContact O-CA 3.49Å; L237-S240 WeakPolarHBondContact O-CB 3.45Å; L237-S240 PolarHBondContact O-N 2.91Å; I238-S240 PolarHBondContact O-N 3.31Å; S240-V242 VanDerWaalsContact C-N 3.32Å; S240-V242 PolarHBondContact O-N 3.38Å; S240-K243 PolarHBondContact O-N 3.49Å; S240-Y244 WeakPolarHBondContact O-CB 3.36Å; S240-Y244 PolarHBondContact O-N 3.16Å
241L90.8Very high83.5Confident0 Ų075.2 Ų75.20%038%0.383CS..Hα-helixtrans-57.8-42.8174-58.2-178.9000112W207 F215 F226 I229 Q230 L233 K236 L237 I238 Y245W207-L241 HydrophobicContact CH2-CD2 3.68Å; W207-L241 HydrophobicContact CZ2-CD2 4.1Å; F215-L241 HydrophobicContact CD2-CD2 4.19Å; F215-L241 HydrophobicContact CE2-CB 4.39Å; F226-L241 HydrophobicContact CD1-CB 3.93Å; F226-L241 WeakPolarHBondContact O-CD1 3.43Å; I229-L241 HydrophobicContact CB-CD1 4.36Å; I229-L241 HydrophobicContact CG2-CD1 4.05Å; I229-L241 HydrophobicContact CG2-CD2 4.18Å; Q230-L241 HydrophobicContact CB-CD1 3.77Å; Q230-L241 HydrophobicContact CG-CD1 4.32Å; L233-L241 HydrophobicContact CB-CD2 4.36Å; L233-L241 HydrophobicContact CD1-CD2 4.05Å; K236-L241 HydrophobicContact CB-CD2 3.62Å; K236-L241 HydrophobicContact CB-CG 4.29Å; K236-L241 HydrophobicContact CG-CD2 4.49Å; L237-L241 PolarHBondContact O-N 3.06Å; I238-L241 PolarHBondContact O-N 2.8Å; L241-Y245 WeakPolarHBondContact O-CB 3.4Å; L241-Y245 PolarHBondContact O-N 3.44Å
242V91.8Very high81.9Confident46 Ų4674.7 Ų74.728%0.27938%0.375SS..Hα-helixtrans-72-42177.8172.90000111.6F226 I238 S240 Y244 Y245 Y246F226-V242 HydrophobicContact CB-CG2 4.46Å; F226-V242 HydrophobicContact CD1-CG2 3.95Å; F226-V242 HydrophobicContact CD2-CG2 3.71Å; F226-V242 HydrophobicContact CE1-CG2 4.09Å; F226-V242 HydrophobicContact CE2-CG2 3.85Å; F226-V242 HydrophobicContact CG-CG2 3.76Å; F226-V242 HydrophobicContact CZ-CG2 4.04Å; I238-V242 HydrophobicContact CG2-CG2 4.34Å; I238-V242 WeakPolarHBondContact O-CB 2.84Å; I238-V242 VanDerWaalsContact O-CG2 3.28Å; I238-V242 WeakPolarHBondContact O-CG2 3.36Å; I238-V242 PolarHBondContact O-N 3.32Å; S240-V242 VanDerWaalsContact C-N 3.32Å; S240-V242 PolarHBondContact O-N 3.38Å; V242-Y244 VanDerWaalsContact C-N 3.32Å; V242-Y244 PolarHBondContact O-N 3.32Å; V242-Y245 PolarHBondContact O-N 3.23Å; V242-Y246 HydrophobicContact CG1-CD2 3.94Å; V242-Y246 HydrophobicContact CG1-CE2 3.82Å; V242-Y246 VanDerWaalsContact O-CD2 3.29Å; V242-Y246 WeakPolarHBondContact O-CD2 3.36Å; V242-Y246 PolarHBondContact O-N 3.39Å
243K86.4Confident80.4Confident132 Ų13275.4 Ų75.457%0.57439%0.385SS*.Hα-helixtrans-56.6-45.5172.8176.9-173.2172.7-166.70110.7D205 S239 S240 S247D205-K243 IonicContact OD2-NZ 2.66Å; D205-K243 PolarHBondContact OD2-NZ 3.12Å; S239-K243 WeakPolarHBondContact O-CB 3.49Å; S239-K243 PolarHBondContact O-N 3.34Å; S240-K243 PolarHBondContact O-N 3.49Å; K243-S247 PolarHBondContact O-N 2.91Å
244Y87.6Confident78.3Confident29 Ų2985.8 Ų85.811%0.11442%0.423CS..Hα-helixtrans-68.5-43177.2-174.5-95.4000112.6W207 K212 F215 S240 V242 Y246 S247 W248W207-Y244 HydrophobicContact CB-CD2 4.49Å; W207-Y244 HydrophobicContact CB-CE2 4.48Å; W207-Y244 HydrophobicContact CD2-CD1 4.47Å; W207-Y244 AromaticContact CD2-CD2 3.5Å; W207-Y244 HydrophobicContact CD2-CD2 3.5Å; W207-Y244 HydrophobicContact CD2-CE2 4.04Å; W207-Y244 AromaticContact CD2-CG 3.77Å; W207-Y244 HydrophobicContact CD2-CG 3.77Å; W207-Y244 AromaticContact CE2-CD2 3.78Å; W207-Y244 AromaticContact CE2-CG 3.7Å; W207-Y244 HydrophobicContact CE3-CD1 4.13Å; W207-Y244 AromaticContact CE3-CD2 3.82Å; W207-Y244 HydrophobicContact CE3-CD2 3.82Å; W207-Y244 HydrophobicContact CE3-CE1 4.34Å; W207-Y244 HydrophobicContact CE3-CE2 4.05Å; W207-Y244 AromaticContact CE3-CG 3.89Å; W207-Y244 HydrophobicContact CE3-CG 3.89Å; W207-Y244 AromaticContact CG-CD2 3.8Å; W207-Y244 HydrophobicContact CG-CD2 3.8Å; W207-Y244 HydrophobicContact CG-CE2 4.23Å; W207-Y244 AromaticContact CH2-CD1 3.97Å; W207-Y244 HydrophobicContact CH2-CD1 3.97Å; W207-Y244 AromaticContact CH2-CG 3.87Å; W207-Y244 HydrophobicContact CH2-CG 3.87Å; W207-Y244 HydrophobicContact CZ2-CD1 4.32Å; W207-Y244 HydrophobicContact CZ2-CD2 4.31Å; W207-Y244 AromaticContact CZ2-CG 3.75Å; W207-Y244 HydrophobicContact CZ2-CG 3.75Å; W207-Y244 AromaticContact CZ3-CD1 3.89Å; W207-Y244 HydrophobicContact CZ3-CD1 3.89Å; W207-Y244 HydrophobicContact CZ3-CD2 4.36Å; W207-Y244 HydrophobicContact CZ3-CE1 4.29Å; W207-Y244 AromaticContact CZ3-CG 3.96Å; W207-Y244 HydrophobicContact CZ3-CG 3.96Å; K212-Y244 HydrophobicContact CD-CE2 4.49Å; K212-Y244 HydrophobicContact CG-CE2 3.98Å; K212-Y244 WeakPolarHBondContact CG-OH 3.28Å; F215-Y244 HydrophobicContact CB-CE1 4.4Å; F215-Y244 AromaticContact CD1-CD1 3.6Å; F215-Y244 HydrophobicContact CD1-CD1 3.6Å; F215-Y244 AromaticContact CD1-CE1 3.5Å; F215-Y244 HydrophobicContact CD1-CE1 3.5Å; F215-Y244 HydrophobicContact CD2-CD1 4.12Å; F215-Y244 AromaticContact CE1-CD1 3.76Å; F215-Y244 HydrophobicContact CE1-CD1 3.76Å; F215-Y244 AromaticContact CE1-CE1 3.94Å; F215-Y244 HydrophobicContact CE1-CE1 3.94Å; F215-Y244 HydrophobicContact CE2-CD1 4.25Å; F215-Y244 AromaticContact CG-CD1 3.8Å; F215-Y244 HydrophobicContact CG-CD1 3.8Å; F215-Y244 AromaticContact CG-CE1 3.95Å; F215-Y244 HydrophobicContact CG-CE1 3.95Å; F215-Y244 HydrophobicContact CZ-CD1 4.1Å; S240-Y244 WeakPolarHBondContact O-CB 3.36Å; S240-Y244 PolarHBondContact O-N 3.16Å; V242-Y244 VanDerWaalsContact C-N 3.32Å; V242-Y244 PolarHBondContact O-N 3.32Å; Y244-Y246 VanDerWaalsContact C-N 3.28Å; Y244-Y246 PolarHBondContact O-N 3.04Å; Y244-S247 PolarHBondContact O-N 3.37Å; Y244-S247 VanDerWaalsContact O-N 3.16Å; Y244-S247 PolarHBondContact O-OG 2.92Å; Y244-W248 HydrophobicContact CD1-CB 4.1Å; Y244-W248 HydrophobicContact CE1-CB 3.63Å; Y244-W248 AromaticContact CE1-CD1 3.88Å; Y244-W248 AromaticContact CE1-CG 3.83Å; Y244-W248 HydrophobicContact CE1-CG 3.83Å; Y244-W248 AromaticContact CZ-CD1 3.96Å; Y244-W248 VanDerWaalsContact O-CB 3.27Å; Y244-W248 WeakPolarHBondContact O-CB 3.35Å; Y244-W248 PolarHBondContact O-N 3.49Å
245Y89.4Confident76.8Confident13 Ų1386 Ų865%0.05142%0.423CS..Hα-helixtrans-52.2-46.5175171.9-108.3000112.4F215 F219 F226 L241 V242 W248 K249F215-Y245 HydrophobicContact CZ-CD2 4.4Å; F219-Y245 HydrophobicContact CD2-CD2 4.18Å; F219-Y245 HydrophobicContact CD2-CE2 4.34Å; F219-Y245 AromaticContact CE2-CD2 3.62Å; F219-Y245 HydrophobicContact CE2-CD2 3.62Å; F219-Y245 AromaticContact CE2-CE2 3.38Å; F219-Y245 HydrophobicContact CE2-CE2 3.38Å; F219-Y245 HydrophobicContact CZ-CD2 4.19Å; F219-Y245 AromaticContact CZ-CE2 3.53Å; F219-Y245 HydrophobicContact CZ-CE2 3.53Å; F226-Y245 HydrophobicContact CE1-CG 4.12Å; F226-Y245 AromaticContact CZ-CD1 3.9Å; F226-Y245 HydrophobicContact CZ-CD1 3.9Å; F226-Y245 HydrophobicContact CZ-CD2 4.27Å; F226-Y245 AromaticContact CZ-CG 3.71Å; F226-Y245 HydrophobicContact CZ-CG 3.71Å; L241-Y245 WeakPolarHBondContact O-CB 3.4Å; L241-Y245 PolarHBondContact O-N 3.44Å; V242-Y245 PolarHBondContact O-N 3.23Å; Y245-W248 HydrophobicContact CD2-CE3 4.37Å; Y245-W248 HydrophobicContact CD2-CZ3 4.38Å; Y245-W248 HydrophobicContact CE2-CZ3 4.5Å; Y245-K249 HydrophobicContact CE1-CD 4Å; Y245-K249 HydrophobicContact CE2-CB 4.48Å; Y245-K249 HydrophobicContact CE2-CD 4.27Å; Y245-K249 WeakPolarHBondContact O-CB 3.5Å; Y245-K249 PolarHBondContact O-N 3.13Å; Y245-K249 PolarHBondContact OH-NZ 3.32Å
246Y85.3Confident75.4Confident148 Ų14881.6 Ų81.658%0.5840%0.404SS*.Hα-helixtrans-73.4-26-177.7-77.4-67000114V242 Y244 K250V242-Y246 HydrophobicContact CG1-CD2 3.94Å; V242-Y246 HydrophobicContact CG1-CE2 3.82Å; V242-Y246 VanDerWaalsContact O-CD2 3.29Å; V242-Y246 WeakPolarHBondContact O-CD2 3.36Å; V242-Y246 PolarHBondContact O-N 3.39Å; Y244-Y246 VanDerWaalsContact C-N 3.28Å; Y244-Y246 PolarHBondContact O-N 3.04Å; Y246-K250 WeakPolarHBondContact O-CB 3.26Å
247S76.5Confident73.8Confident61 Ų6185.4 Ų85.443%0.42743%0.43SS..Hα-helixtrans-77.8-52.6170.562.10000111.5K243 Y244 K249 K250 T251K243-S247 PolarHBondContact O-N 2.91Å; Y244-S247 PolarHBondContact O-N 3.37Å; Y244-S247 VanDerWaalsContact O-N 3.16Å; Y244-S247 PolarHBondContact O-OG 2.92Å; S247-K249 PolarHBondContact O-N 3.23Å; S247-K250 WeakPolarHBondContact O-CB 3.42Å; S247-K250 PolarHBondContact O-N 3.46Å; S247-T251 PolarHBondContact O-N 2.95Å; S247-T251 PolarHBondContact O-OG1 3.37Å
248W82.4Confident72.4Confident32 Ų3286.3 Ų86.312%0.12143%0.432CS..Hα-helixtrans-56-47.4178.5172.290.3000112.4F215 E216 F219 Y244 Y245 K250 T251 R252F215-W248 HydrophobicContact CE1-CD2 4.24Å; F215-W248 HydrophobicContact CE1-CE3 4.08Å; F215-W248 HydrophobicContact CE1-CZ3 4.32Å; E216-W248 HydrophobicContact CB-CZ2 4.27Å; E216-W248 HydrophobicContact CG-CZ2 3.95Å; E216-W248 WeakPolarHBondContact OE2-CZ2 3.32Å; E216-W248 PolarHBondContact OE2-NE1 2.85Å; F219-W248 AromaticContact CD1-CH2 3.67Å; F219-W248 HydrophobicContact CD1-CH2 3.67Å; F219-W248 AromaticContact CD1-CZ3 3.95Å; F219-W248 HydrophobicContact CD1-CZ3 3.95Å; F219-W248 HydrophobicContact CE1-CH2 4.11Å; F219-W248 HydrophobicContact CE1-CZ3 4.08Å; F219-W248 HydrophobicContact CG-CH2 4.16Å; F219-W248 HydrophobicContact CG-CZ3 4.27Å; F219-W248 HydrophobicContact CZ-CZ3 4.49Å; Y244-W248 HydrophobicContact CD1-CB 4.1Å; Y244-W248 HydrophobicContact CE1-CB 3.63Å; Y244-W248 AromaticContact CE1-CD1 3.88Å; Y244-W248 AromaticContact CE1-CG 3.83Å; Y244-W248 HydrophobicContact CE1-CG 3.83Å; Y244-W248 AromaticContact CZ-CD1 3.96Å; Y244-W248 VanDerWaalsContact O-CB 3.27Å; Y244-W248 WeakPolarHBondContact O-CB 3.35Å; Y244-W248 PolarHBondContact O-N 3.49Å; Y245-W248 HydrophobicContact CD2-CE3 4.37Å; Y245-W248 HydrophobicContact CD2-CZ3 4.38Å; Y245-W248 HydrophobicContact CE2-CZ3 4.5Å; W248-K250 VanDerWaalsContact C-N 3.33Å; W248-K250 PolarHBondContact O-N 2.96Å; W248-T251 PolarHBondContact O-N 2.92Å; W248-R252 WeakPolarHBondContact O-CB 3.47Å; W248-R252 PolarHBondContact O-N 3.29Å
249K75.7Confident71.2Confident84 Ų8487 Ų8737%0.36544%0.437SS..Hα-helixtrans-57.6-43.9177.2-179.1-172.9-171.1170.60112.2Y245 S247 T251 R252 T253Y245-K249 HydrophobicContact CE1-CD 4Å; Y245-K249 HydrophobicContact CE2-CB 4.48Å; Y245-K249 HydrophobicContact CE2-CD 4.27Å; Y245-K249 WeakPolarHBondContact O-CB 3.5Å; Y245-K249 PolarHBondContact O-N 3.13Å; Y245-K249 PolarHBondContact OH-NZ 3.32Å; S247-K249 PolarHBondContact O-N 3.23Å; K249-T251 PolarHBondContact O-N 2.93Å; K249-R252 PolarHBondContact O-N 2.8Å; K249-T253 HydrophobicContact CG-CG2 4.45Å; K249-T253 PolarHBondContact O-N 2.91Å; K249-T253 PolarHBondContact O-OG1 3.47Å; K249-T253 VanDerWaalsContact O-OG1 3.08Å
250K63.1Low70.2Confident163 Ų16391.5 Ų91.571%0.70944%0.441SS*.Hα-helixtrans-63-29.8-177.8-172176.8179.8-178.30111.9Y246 S247 W248Y246-K250 WeakPolarHBondContact O-CB 3.26Å; S247-K250 WeakPolarHBondContact O-CB 3.42Å; S247-K250 PolarHBondContact O-N 3.46Å; W248-K250 VanDerWaalsContact C-N 3.33Å; W248-K250 PolarHBondContact O-N 2.96Å
251T56.5Low69.3Low106 Ų10695.9 Ų95.965%0.6546%0.461SS*.Hα-helixtrans-82.6-44.8172.6-38.40000111.8S247 W248 K249 T253 R254S247-T251 PolarHBondContact O-N 2.95Å; S247-T251 PolarHBondContact O-OG1 3.37Å; W248-T251 PolarHBondContact O-N 2.92Å; K249-T251 PolarHBondContact O-N 2.93Å; T251-T253 VanDerWaalsContact C-N 3.3Å; T251-T253 PolarHBondContact O-N 3.23Å; T251-R254 WeakPolarHBondContact O-CB 3.26Å; T251-R254 PolarHBondContact O-N 3.41Å
252R57.3Low68.1Low120 Ų12098.2 Ų98.245%0.45348%0.479SS..Hα-helixtrans-61.8-33.8-176.8-163.4178.7-169.385.5-7.9113.4E216 W248 K249 R254 T255E216-R252 IonicContact OE1-CZ 2.79Å; E216-R252 IonicContact OE1-NH1 2.8Å; E216-R252 PolarHBondContact OE1-NH1 3.28Å; E216-R252 IonicContact OE1-NH2 2.86Å; E216-R252 PolarHBondContact OE1-NH2 2.9Å; E216-R252 IonicContact OE2-CZ 3.09Å; E216-R252 IonicContact OE2-NH1 3.14Å; E216-R252 PolarHBondContact OE2-NH1 3.03Å; E216-R252 IonicContact OE2-NH2 2.81Å; W248-R252 WeakPolarHBondContact O-CB 3.47Å; W248-R252 PolarHBondContact O-N 3.29Å; K249-R252 PolarHBondContact O-N 2.8Å; R252-R254 PolarHBondContact O-N 2.99Å; R252-T255 PolarHBondContact O-OG1 3.23Å; R252-T255 VanDerWaalsContact O-OG1 3.06Å
253T53.4Low67Low103 Ų103104.2 Ų104.263%0.63250%0.497SS*.THydrogen-bonded Turntrans-78.24.6176.256.60000114.6K249 T251K249-T253 HydrophobicContact CG-CG2 4.45Å; K249-T253 PolarHBondContact O-N 2.91Å; K249-T253 PolarHBondContact O-OG1 3.47Å; K249-T253 VanDerWaalsContact O-OG1 3.08Å; T251-T253 VanDerWaalsContact C-N 3.3Å; T251-T253 PolarHBondContact O-N 3.23Å
254R43.3Very low66.1Low224 Ų224105.9 Ų105.985%0.84550%0.5SS*.THydrogen-bonded Turntrans-94.111.4172-91.7-170.3165.2-144.8-2.8114.2T251 R252 S256T251-R254 WeakPolarHBondContact O-CB 3.26Å; T251-R254 PolarHBondContact O-N 3.41Å; R252-R254 PolarHBondContact O-N 2.99Å; R254-S256 PolarHBondContact O-N 2.97Å
255T53Low65Low94 Ų94110.6 Ų110.658%0.57753%0.526SS*.  trans-53.9128.416820.60000110.3R252 D259R252-T255 PolarHBondContact O-OG1 3.23Å; R252-T255 VanDerWaalsContact O-OG1 3.06Å; T255-D259 WeakPolarHBondContact CA-OD2 3.49Å; T255-D259 HydrophobicContact CG2-CB 4.26Å
256S53.2Low64.1Low56 Ų56114.3 Ų114.339%0.39255%0.546SS..  trans-65.5155.8-176.8-1790000111.4R254 M258 D259 R260R254-S256 PolarHBondContact O-N 2.97Å; S256-M258 PolarHBondContact O-N 2.96Å; S256-M258 PolarHBondContact OG-N 2.92Å; S256-M258 VanDerWaalsContact OG-N 3.15Å; S256-D259 WeakPolarHBondContact CB-OD2 3.49Å; S256-D259 PolarHBondContact N-OD2 3.08Å; S256-D259 PolarHBondContact O-N 3.43Å; S256-D259 VanDerWaalsContact O-N 3.14Å; S256-R260 PolarHBondContact O-N 3.34Å; S256-R260 VanDerWaalsContact O-N 3.15Å
257V52.3Low63Low115 Ų115112.4 Ų112.470%0.69755%0.546SS*.Hα-helixtrans-56.7-31.4166.5-178.70000110.3R260 Q261V257-R260 PolarHBondContact O-N 3.44Å; V257-Q261 PolarHBondContact O-N 3.31Å; V257-Q261 VanDerWaalsContact O-N 3.14Å
258M59.6Low62.3Low133 Ų133116.1 Ų116.166%0.65555%0.554SS**Hα-helixtrans-71.5-40.5175.4-59.3-162.776.900112.9S256 R260 Q261 A262S256-M258 PolarHBondContact O-N 2.96Å; S256-M258 PolarHBondContact OG-N 2.92Å; S256-M258 VanDerWaalsContact OG-N 3.15Å; M258-R260 PolarHBondContact O-N 3.27Å; M258-Q261 CarbonylContact O-C 3.58Å; M258-Q261 WeakPolarHBondContact O-CA 3.5Å; M258-Q261 WeakPolarHBondContact O-CB 3.49Å; M258-Q261 PolarHBondContact O-N 2.99Å; M258-A262 PolarHBondContact O-N 3.47Å
259D64.8Low61.4Low75 Ų75124.4 Ų124.440%0.40159%0.586SS.*Hα-helixtrans-58.6-36.4173.3-57.9-32.6000111T255 S256 Q261 R263T255-D259 WeakPolarHBondContact CA-OD2 3.49Å; T255-D259 HydrophobicContact CG2-CB 4.26Å; S256-D259 WeakPolarHBondContact CB-OD2 3.49Å; S256-D259 PolarHBondContact N-OD2 3.08Å; S256-D259 PolarHBondContact O-N 3.43Å; S256-D259 VanDerWaalsContact O-N 3.14Å; D259-Q261 VanDerWaalsContact C-N 3.31Å; D259-R263 WeakPolarHBondContact O-CG 3.42Å; D259-R263 PolarHBondContact O-N 3.32Å; D259-R263 VanDerWaalsContact O-N 3.11Å
260R64.9Low60.5Low176 Ų176125.9 Ų125.966%0.66459%0.594SS**Hα-helixtrans-73.8-20177.3-156.7176.6-171.6-1662.5113.2S256 V257 M258 R264S256-R260 PolarHBondContact O-N 3.34Å; S256-R260 VanDerWaalsContact O-N 3.15Å; V257-R260 PolarHBondContact O-N 3.44Å; M258-R260 PolarHBondContact O-N 3.27Å; R260-R264 WeakPolarHBondContact O-CD 3.3Å; R260-R264 WeakPolarHBondContact O-CG 3.41Å
261Q68.6Low60.2Low104 Ų104126.2 Ų126.249%0.48660%0.595SS.*Hα-helixtrans-85.2-43.9169.4-73.3171.8-50.900111.2V257 M258 D259 R263 R264 L265V257-Q261 PolarHBondContact O-N 3.31Å; V257-Q261 VanDerWaalsContact O-N 3.14Å; M258-Q261 CarbonylContact O-C 3.58Å; M258-Q261 WeakPolarHBondContact O-CA 3.5Å; M258-Q261 WeakPolarHBondContact O-CB 3.49Å; M258-Q261 PolarHBondContact O-N 2.99Å; D259-Q261 VanDerWaalsContact C-N 3.31Å; Q261-R263 PolarHBondContact O-N 2.98Å; Q261-R264 WeakPolarHBondContact O-CB 3.33Å; Q261-R264 PolarHBondContact O-N 3.33Å; Q261-L265 PolarHBondContact O-N 3.24Å
262A65.6Low59.8Low48 Ų48126.9 Ų126.940%0.39760%0.595SS.*Hα-helixtrans-55.1-48.9177.300000111.9M258 R264 L265 I266M258-A262 PolarHBondContact O-N 3.47Å; A262-R264 VanDerWaalsContact C-N 3.29Å; A262-R264 PolarHBondContact O-N 3.27Å; A262-L265 PolarHBondContact O-N 3.31Å; A262-L265 VanDerWaalsContact O-N 3.13Å; A262-I266 WeakPolarHBondContact O-CG1 3.41Å; A262-I266 PolarHBondContact O-N 3.41Å
263R68.4Low59.1Low173 Ų173128.6 Ų128.665%0.65361%0.613SS**Hα-helixtrans-61.6-33.1176.2-70.5177.1-179.5-95.7-1.2113.4D259 Q261 I266 N267D259-R263 WeakPolarHBondContact O-CG 3.42Å; D259-R263 PolarHBondContact O-N 3.32Å; D259-R263 VanDerWaalsContact O-N 3.11Å; Q261-R263 PolarHBondContact O-N 2.98Å; R263-I266 PolarHBondContact O-N 3.44Å; R263-N267 WeakPolarHBondContact O-CB 3.31Å; R263-N267 PolarHBondContact O-N 3.12Å; R263-N267 PolarHBondContact O-OD1 3.01Å
264R66.6Low58.9Low167 Ų167128.5 Ų128.563%0.6362%0.617SS**Hα-helixtrans-70.7-32.6175.1-76.3172.4168.7173.1-8.2113.1R260 Q261 A262 K268R260-R264 WeakPolarHBondContact O-CD 3.3Å; R260-R264 WeakPolarHBondContact O-CG 3.41Å; Q261-R264 WeakPolarHBondContact O-CB 3.33Å; Q261-R264 PolarHBondContact O-N 3.33Å; A262-R264 VanDerWaalsContact C-N 3.29Å; A262-R264 PolarHBondContact O-N 3.27Å; R264-K268 WeakPolarHBondContact O-CB 3.47Å; R264-K268 PolarHBondContact O-N 2.96Å; R264-K268 VanDerWaalsContact O-N 3.08Å
265L65.9Low58.9Low127 Ų127124.8 Ų124.867%0.66561%0.614SS**Hα-helixtrans-73-38.4175.1-66.4172.2000110.9Q261 A262 K268 R269Q261-L265 PolarHBondContact O-N 3.24Å; A262-L265 PolarHBondContact O-N 3.31Å; A262-L265 VanDerWaalsContact O-N 3.13Å; L265-K268 PolarHBondContact O-N 3.26Å; L265-R269 PolarHBondContact O-N 3.43Å
266I68.7Low58.1Low92 Ų92128.1 Ų128.147%0.47263%0.628SS.*Hα-helixtrans-62.2-55.1173.1-65.2163.6000110.4A262 R263 K268 R269 E270A262-I266 WeakPolarHBondContact O-CG1 3.41Å; A262-I266 PolarHBondContact O-N 3.41Å; R263-I266 PolarHBondContact O-N 3.44Å; I266-K268 PolarHBondContact O-N 3.25Å; I266-K268 VanDerWaalsContact O-N 3.13Å; I266-R269 PolarHBondContact O-N 3.18Å; I266-E270 HydrophobicContact CG2-CG 4.31Å; I266-E270 WeakPolarHBondContact CG2-OE1 3.23Å; I266-E270 WeakPolarHBondContact O-CG 3.32Å; I266-E270 PolarHBondContact O-N 3.24Å
267N62.7Low57.4Low107 Ų107134.3 Ų134.357%0.57265%0.65SS**Hα-helixtrans-66.1-13.6177.7-72.6131.5000114.6R263 E270R263-N267 WeakPolarHBondContact O-CB 3.31Å; R263-N267 PolarHBondContact O-N 3.12Å; R263-N267 PolarHBondContact O-OD1 3.01Å; N267-E270 WeakPolarHBondContact CA-OE2 3.26Å; N267-E270 PolarHBondContact ND2-OE2 3.13Å
268K61.4Low56.9Low140 Ų140136 Ų13661%0.60965%0.654SS**Hα-helixtrans-78.4-45.4166.3-175174.5177.4-175.60110.5R264 L265 I266 E270 K271 D272R264-K268 WeakPolarHBondContact O-CB 3.47Å; R264-K268 PolarHBondContact O-N 2.96Å; R264-K268 VanDerWaalsContact O-N 3.08Å; L265-K268 PolarHBondContact O-N 3.26Å; I266-K268 PolarHBondContact O-N 3.25Å; I266-K268 VanDerWaalsContact O-N 3.13Å; K268-E270 PolarHBondContact O-N 3.39Å; K268-K271 PolarHBondContact O-N 3.33Å; K268-K271 VanDerWaalsContact O-N 3.09Å; K268-D272 PolarHBondContact O-N 3.07Å
269R64.1Low55.8Low206 Ų206138.5 Ų138.578%0.77766%0.664SS**Hα-helixtrans-63.9-41.6-179.4-156.3177.4-167.2-153.50.2112.4L265 I266 K271 D272 D273L265-R269 PolarHBondContact O-N 3.43Å; I266-R269 PolarHBondContact O-N 3.18Å; R269-K271 PolarHBondContact O-N 2.93Å; R269-K271 VanDerWaalsContact O-N 3.15Å; R269-D272 PolarHBondContact O-N 2.91Å; R269-D273 PolarHBondContact O-N 2.95Å
270E57.5Low54.6Low115 Ų115144.1 Ų144.154%0.53769%0.688SS.*Hα-helixtrans-63-14173.8-66.8168.2160.400114I266 N267 K268I266-E270 HydrophobicContact CG2-CG 4.31Å; I266-E270 WeakPolarHBondContact CG2-OE1 3.23Å; I266-E270 WeakPolarHBondContact O-CG 3.32Å; I266-E270 PolarHBondContact O-N 3.24Å; N267-E270 WeakPolarHBondContact CA-OE2 3.26Å; N267-E270 PolarHBondContact ND2-OE2 3.13Å; K268-E270 PolarHBondContact O-N 3.39Å
271K55.4Low53Low170 Ų170139.7 Ų139.774%0.73970%0.697SS**Hα-helixtrans-102.1-19.2179.8-175.3159.3-178.7166.30113.8K268 R269K268-K271 PolarHBondContact O-N 3.33Å; K268-K271 VanDerWaalsContact O-N 3.09Å; R269-K271 PolarHBondContact O-N 2.93Å; R269-K271 VanDerWaalsContact O-N 3.15Å
272D48Very low51.2Low119 Ų119143.5 Ų143.564%0.63672%0.715SS**Hα-helixtrans-75.7-36.7167.4-76.7-156.1000110.3K268 R269 S274K268-D272 PolarHBondContact O-N 3.07Å; R269-D272 PolarHBondContact O-N 2.91Å; D272-S274 PolarHBondContact O-N 3.31Å; D272-S274 VanDerWaalsContact O-N 3.08Å
273D44.4Very low50.5Low156 Ų156146.4 Ų146.483%0.83473%0.729SS**THydrogen-bonded Turntrans-79.216.8-169.8-142.742.8000115.3R269R269-D273 PolarHBondContact O-N 2.95Å
274S49Very low48.7Very low102 Ų102141.7 Ų141.771%0.71374%0.735SS**THydrogen-bonded Turntrans-14017.7-167.4-175.50000114.5D272D272-S274 PolarHBondContact O-N 3.31Å; D272-S274 VanDerWaalsContact O-N 3.08Å
275N41.9Very low47.3Very low146 Ų146143 Ų14378%0.78175%0.748SS**  trans-14474.2178.7-169.3105.7000110.8
276D36.9Very low45.5Very low163 Ų163143.6 Ų143.687%0.87275%0.752SS**  trans-143.894.4175-147.8-13.6000109.6
277E38.8Very low44Very low186 Ų186143.8 Ų143.887%0.86976%0.761SS**  trans-172.6144.7149.8-111.9179.8174.200111.9
278I41.1Very low42.5Very low152 Ų152146 Ų14678%0.77977%0.773SS**  trans90.996.4158.9-126.9154.8000121.1
279E38Very low41.1Very low184 Ų184147.7 Ų147.786%0.8678%0.781SS**  88.1159.3127.5-150.5156.9-150.200121.7
280E38Very low39.5Very low194 Ų194145.8 Ų145.891%0.90778%0.781SS**  trans-97.4164.3-154.2-54.9-176.6131.400115.8
281G31.3Very low38.7Very low82 Ų82146.1 Ų146.185%0.84579%0.79SS**  trans166.6119.6163.500000113.6
282E32.4Very low37.5Very low184 Ų184145.3 Ų145.386%0.8679%0.794SS**  trans-117-175.8-176.1-142.6-141.2-175.100112.1
283P50.2Low37Very low109 Ų109143.1 Ų143.171%0.70879%0.792SS**  -100.9-177.4-86.337.2-26.1000114.1
284G30.7Very low36.7Very low74 Ų74145.4 Ų145.476%0.76380%0.795SS**  trans-158.4135.6166.600000113.3
285E37.8Very low35.9Very low195 Ų195150.4 Ų150.491%0.91180%0.804SS**  trans-80.5175.9178-60.5164.2135.100110.1
286D27.9Very low35.4Very low139 Ų139152 Ų15274%0.74381%0.807SS**  cis-166.1155.730.2-177.618.6000111.8
287S36.2Very low35Very low96 Ų96149 Ų14967%0.67181%0.805SS**  trans54.3158154.8-72.30000121.5
288D31Very low34.8Very low153 Ų153145.9 Ų145.982%0.81880%0.798SS**  cis-140.5169.312-156.3-4.6000113.2
289F32.8Very low34.4Very low176 Ų176147.9 Ų147.977%0.77280%0.801SS**  trans-76.8178.3177.7-136.6-147.7000110.9
290E29.8Very low34Very low166 Ų166148.6 Ų148.678%0.77680%0.804SS**  cis-154.916740.1-125.4-168.4160.900112.7
291V40.8Very low33.4Very low122 Ų122146.6 Ų146.674%0.73980%0.8SS**  trans-140130.4167168.80000109.3
292D30.3Very low33.1Very low154 Ų154147 Ų14782%0.82479%0.79SS**  trans-150.6-175.7151.6-158.6-107.7000112.3
293A37.3Very low32.8Very low72 Ų72144.1 Ų144.160%0.59579%0.79SS**  trans-151.7165.4-141.600000116.8
294K38.3Very low31.6Very low204 Ų204142.8 Ų142.889%0.88780%0.796SS**  trans56108.8137.9-173.7-172.1-174.9-179.40118.8
295K31.6Very low31.4Very low207 Ų207143 Ų14390%0.980%0.799SS**  trans-151.2134.8145.6-150.9165.7-173.9172.70114.4
296E32Very low31Very low180 Ų180139.2 Ų139.284%0.84179%0.793SS**  trans-99.9153.9161.9-73-167123.700110.7
297A28.5Very low30.9Very low101 Ų101139.8 Ų139.884%0.83580%0.796SS**  trans-153158.4160.500000109.9
298V33.9Very low30.5Very low120 Ų120140 Ų14073%0.72780%0.804SS**  trans-134.2143.8-157167.90000113.1
299K34.5Very low30.5Very low193 Ų193139.5 Ų139.584%0.83980%0.797SS**  trans63.7132.6165.8-81.3172.5178.2176.60118.4
300Q29.3Very low30.4Very low199 Ų199138.8 Ų138.893%0.9379%0.794SS**  -159.7-171.692.6-100.8-169.65.700111.3
301N24.3Very low30.4Very low153 Ų153135.1 Ų135.182%0.81879%0.792SS**  trans-134.1168.5-152.6-174.733.9000113.9
302S26.2Very low30.9Very low89 Ų89135 Ų13562%0.62279%0.793SS**  trans103.6113.8142.774.60000122.4
303S25.7Very low31.4Very low124 Ų124133.8 Ų133.887%0.86779%0.794SS**  99.7148.3126.676.80000121.6
304G25.5Very low31Very low81 Ų81135.7 Ų135.784%0.83580%0.803SS**  trans90.1121.1-171.700000112.5
305G26.4Very low30.7Very low80 Ų80137.9 Ų137.983%0.82581%0.806SS**  cis103.612413.500000110.8
306S28.9Very low30.6Very low114 Ų114133.8 Ų133.880%0.79780%0.803SS**  cis-163142.45.757.60000114.8
307N25.3Very low30.4Very low151 Ų151128.5 Ų128.581%0.80780%0.796SS**  trans58.1124132-16526.7000122.8
308A29.2Very low31.2Very low101 Ų101130 Ų13084%0.83580%0.798SS**  trans-159.6158.2149.500000111.2
309E29.8Very low31.1Very low143 Ų143130.2 Ų130.267%0.66880%0.799SS**  trans-112.5163.6-164-93.2-150.2107.800117.4
310K30.8Very low31.2Very low160 Ų160129.9 Ų129.970%0.69680%0.798SS**  trans72.8119.1140.1-84.3175.4174.1860123.5
311A29.7Very low32.2Very low89 Ų89130.4 Ų130.474%0.73680%0.797SS**  79.6148.3120.600000121.6
312P51.9Low32.6Very low119 Ų119131 Ų13177%0.77380%0.795SS**  trans-91.2170.8179.439.1-37.2000113
313P40.2Very low33.5Very low130 Ų130132.1 Ų132.184%0.84480%0.802SS**  -142.7174.8110.439.2-26.9000115.1
314S30.1Very low34.2Very low111 Ų111133.5 Ų133.578%0.77680%0.799SS**  trans-94.9154.5-179.352.90000113.6
315R30.9Very low34.7Very low251 Ų251132.3 Ų132.395%0.94779%0.786SS**  trans-163.8163.5141.5-117.4171.1176.2175.5-1.8114.3
316S29.5Very low35.5Very low121 Ų121133 Ų13385%0.84678%0.784SS**  trans-98.8152.7-169.947.70000113.9
317G28.3Very low36.2Very low68 Ų68136 Ų13670%0.70179%0.785SS**  trans-173.8123.8171.500000113
318P45.3Very low37Very low133 Ų133138.7 Ų138.786%0.86479%0.786SS**  trans-103.2123.1-174.235.4-29.9000113.4
319V31.9Very low37.9Very low124 Ų124144.3 Ų144.375%0.75279%0.785SS**  trans-138.9124.5178-1730000113.1
320K37.1Very low38.9Very low187 Ų187146.4 Ų146.481%0.81380%0.795SS**  trans47.5103.2157.7-64.2172.1-175.3176.60119.4E322K320-E322 PolarHBondContact O-N 3.37Å
321K48.8Very low39.6Very low209 Ų209143.4 Ų143.491%0.90978%0.783SS**  trans-51.4119.1142.9168.2-170.4176.8-178.20110.4
322E34.3Very low41Very low166 Ų166143.6 Ų143.678%0.77678%0.776SS**  trans-125.3134165.2-173.6144.2-145.400110.7K320 I324K320-E322 PolarHBondContact O-N 3.37Å; E322-I324 HydrophobicContact CG-CG1 4.4Å; E322-I324 PolarHBondContact O-N 3.08Å
323S44.1Very low41.1Very low112 Ų112143.3 Ų143.378%0.78377%0.768SS**  trans-100.565.3-164.6-178.10000111.9G325S323-G325 PolarHBondContact O-N 3.01Å
324I41.2Very low41.8Very low154 Ų154146.8 Ų146.879%0.7976%0.764SS**  trans-65.3123.5-177.5-71.3174.3000111.9E322E322-I324 HydrophobicContact CG-CG1 4.4Å; E322-I324 PolarHBondContact O-N 3.08Å
325G35.8Very low42.9Very low55 Ų55145.2 Ų145.257%0.56776%0.758SS**  trans-1.6127.3169.500000120S323 Q327S323-G325 PolarHBondContact O-N 3.01Å; G325-Q327 PolarHBondContact O-N 3.26Å
326A43.2Very low44.2Very low94 Ų94143.8 Ų143.878%0.77775%0.753SS**SBendtrans-72.539.5168.500000114
327Q42.7Very low46.1Very low179 Ų179148.2 Ų148.284%0.83675%0.751SS**  trans-12047.8-175.2-71.4-167.6-32.500113G325G325-Q327 PolarHBondContact O-N 3.26Å
328Y41.8Very low48.5Very low207 Ų207155.3 Ų155.381%0.81276%0.756SS**  trans-139.826.7165.1-115.8-78.1000113.6H330Y328-H330 VanDerWaalsContact C-N 3.29Å; Y328-H330 PolarHBondContact O-N 3.26Å
329R49.1Very low50.5Low218 Ų218151.8 Ų151.882%0.82373%0.734SS**  trans-78.674.6171.3-71.3-173.5179.5175.92110.7
330H49.5Very low53.2Low188 Ų188150.4 Ų150.487%0.8773%0.727SS**  trans176.761.7147.4-94.4-65.3000110.4Y328 P332Y328-H330 VanDerWaalsContact C-N 3.29Å; Y328-H330 PolarHBondContact O-N 3.26Å; H330-P332 WeakPolarHBondContact O-CD 3.5Å
331H46.4Very low55.7Low96 Ų96152.1 Ų152.144%0.44474%0.735SS.*  trans-105.5104.1167.6-170.728.4000110.2L333 R334H331-L333 PolarHBondContact O-N 3.36Å; H331-L333 VanDerWaalsContact O-N 3.12Å; H331-R334 PolarHBondContact O-N 3.23Å; H331-R334 VanDerWaalsContact O-N 3.13Å
332P58.1Low57.7Low93 Ų93145.1 Ų145.160%0.60472%0.722SS**Hα-helixtrans-57.6-31.5-171.1-28.236000114.5H330 R334 A335 R336H330-P332 WeakPolarHBondContact O-CD 3.5Å; P332-R334 VanDerWaalsContact C-N 3.27Å; P332-R334 PolarHBondContact O-N 3.06Å; P332-A335 PolarHBondContact O-N 3.28Å; P332-R336 PolarHBondContact O-N 3.13Å
333L54.9Low60.4Low113 Ų113142.2 Ų142.259%0.59271%0.71SS**Hα-helixtrans-68.2-23.5-177.2-54.1-174.9000113.4H331H331-L333 PolarHBondContact O-N 3.36Å; H331-L333 VanDerWaalsContact O-N 3.12Å
334R55Low62.6Low203 Ų203144.8 Ų144.877%0.76671%0.709SS**Hα-helixtrans-86.3-24.6178.5-138.6172.7-168.5134.71.4112.7H331 P332 R336H331-R334 PolarHBondContact O-N 3.23Å; H331-R334 VanDerWaalsContact O-N 3.13Å; P332-R334 VanDerWaalsContact C-N 3.27Å; P332-R334 PolarHBondContact O-N 3.06Å; R334-R336 VanDerWaalsContact C-N 3.33Å
335A53.3Low65Low79 Ų79142.7 Ų142.765%0.65370%0.699SS**Hα-helixtrans-70-29.9172.500000112.3P332 R337P332-A335 PolarHBondContact O-N 3.28Å; A335-R337 PolarHBondContact O-N 3.06Å
336R56.9Low67.6Low220 Ų220144.6 Ų144.683%0.8370%0.696SS**THydrogen-bonded Turntrans-70.90.8177.2-76-176.8167.2-104.61.9115.5P332 R334P332-R336 PolarHBondContact O-N 3.13Å; R334-R336 VanDerWaalsContact C-N 3.33Å
337R70.1Confident70Confident214 Ų214146.4 Ų146.481%0.80869%0.689SS**THydrogen-bonded Turntrans-106.221.6-177.7-66.4-173.7177.3-101.63.7114.4A335A335-R337 PolarHBondContact O-N 3.06Å
338R79.4Confident72.5Confident217 Ų217142.1 Ų142.182%0.81968%0.675SS**SBendtrans-135.5148.1174.8-70.6-173.1173.9-172.5-4.1110.2
339P86.2Confident74.9Confident59 Ų59136.7 Ų136.738%0.38366%0.66SS.*  trans-61.9156.8175.226.6-34.7000111.6M343 L345P339-M343 HydrophobicContact CB-CB 4.18Å; P339-M343 HydrophobicContact CB-CG 4.15Å; P339-L345 HydrophobicContact CB-CB 4.39Å; P339-L345 HydrophobicContact CB-CD1 4.18Å; P339-L345 HydrophobicContact CB-CG 4.31Å
340P90.3Very high77Confident96 Ų96129.8 Ų129.862%0.62364%0.638SS**  trans-53.8154.4175.5-27.535.6000113.4G342 M343P340-G342 PolarHBondContact O-N 2.88Å; P340-M343 HydrophobicContact CB-CB 4.24Å; P340-M343 WeakPolarHBondContact O-CB 3.49Å; P340-M343 PolarHBondContact O-N 2.98Å
341K88.2Confident79.2Confident222 Ų222124.4 Ų124.497%0.96562%0.619SS**THydrogen-bonded Turntrans-60.3114.6-179.4-177.265.9174.7179.60110.8
342G90.4Very high81.4Confident62 Ų62122.3 Ų122.364%0.63962%0.618SS**THydrogen-bonded Turntrans100-14.9-177.300000114.1P340 H344P340-G342 PolarHBondContact O-N 2.88Å; G342-H344 PolarHBondContact O-ND1 3.19Å
343M91.5Very high83.1Confident105 Ų105121.9 Ų121.952%0.51761%0.61SS.*  trans-84.6130.3168.8-173.864.273.800109.3P339 P340 L345P339-M343 HydrophobicContact CB-CB 4.18Å; P339-M343 HydrophobicContact CB-CG 4.15Å; P340-M343 HydrophobicContact CB-CB 4.24Å; P340-M343 WeakPolarHBondContact O-CB 3.49Å; P340-M343 PolarHBondContact O-N 2.98Å; M343-L345 HydrophobicContact CG-CD1 4.27Å; M343-L345 HydrophobicContact CG-CG 4.01Å
344H90.7Very high84.9Confident167 Ų167120.8 Ų120.877%0.77361%0.612SS**  trans-114.6122.9175.7-59.187.4000107.6G342G342-H344 PolarHBondContact O-ND1 3.19Å
345L91.4Very high86.7Confident110 Ų110116.1 Ų116.158%0.57661%0.606SS**  trans-137.3110.9178.6-67.3178.4000106.5P339 M343 I350P339-L345 HydrophobicContact CB-CB 4.39Å; P339-L345 HydrophobicContact CB-CD1 4.18Å; P339-L345 HydrophobicContact CB-CG 4.31Å; M343-L345 HydrophobicContact CG-CD1 4.27Å; M343-L345 HydrophobicContact CG-CG 4.01Å; L345-I350 HydrophobicContact CB-CD1 4.21Å; L345-I350 HydrophobicContact CD2-CD1 4.35Å
346D90.8Very high88.6Confident95 Ų95115.3 Ų115.351%0.50860%0.596SS.*  trans-116.7150.8171.7-152.5-27.5000109.6T348 D349 I350D346-T348 VanDerWaalsContact C-N 3.29Å; D346-T348 PolarHBondContact O-N 3.02Å; D346-D349 PolarHBondContact O-N 3.26Å; D346-I350 VanDerWaalsContact O-CG1 3.29Å; D346-I350 WeakPolarHBondContact O-CG1 3.47Å; D346-I350 PolarHBondContact O-N 2.97Å
347Q92.9Very high90.3Very high132 Ų132113.8 Ų113.862%0.61760%0.598SS**Hα-helixtrans-66.4-34.2-178.8-175.260.750.600111.2T351Q347-T351 PolarHBondContact NE2-OG1 2.99Å; Q347-T351 VanDerWaalsContact O-CB 3.26Å; Q347-T351 WeakPolarHBondContact O-CB 3.49Å; Q347-T351 PolarHBondContact O-N 3.14Å; Q347-T351 PolarHBondContact O-OG1 3.05Å
348T95.1Very high91.5Very high89 Ų89108 Ų10855%0.54658%0.583SS.*Hα-helixtrans-56.4-52.1174.146.20000111D346 T351 A352D346-T348 VanDerWaalsContact C-N 3.29Å; D346-T348 PolarHBondContact O-N 3.02Å; T348-T351 PolarHBondContact O-N 3.1Å; T348-A352 WeakPolarHBondContact O-CB 3.21Å; T348-A352 PolarHBondContact O-N 2.96Å
349D93.6Very high92.3Very high93 Ų9398.1 Ų98.150%0.49755%0.547SS..Hα-helixtrans-72.4-44.2-170.3-58.511.3000109.8D346 T351 A352 L353D346-D349 PolarHBondContact O-N 3.26Å; D349-T351 VanDerWaalsContact C-N 3.3Å; D349-T351 PolarHBondContact O-N 2.87Å; D349-A352 PolarHBondContact O-N 2.69Å; D349-L353 VanDerWaalsContact O-CB 3.29Å; D349-L353 WeakPolarHBondContact O-CB 3.19Å; D349-L353 WeakPolarHBondContact O-CD1 3.29Å; D349-L353 WeakPolarHBondContact O-CG 3.38Å; D349-L353 PolarHBondContact O-N 3.06Å
350I93Very high92.6Very high72 Ų7296.5 Ų96.537%0.36954%0.542SS..Hα-helixtrans-58.4-43.7173.5-67.9166.8000110.7L345 D346 S354L345-I350 HydrophobicContact CB-CD1 4.21Å; L345-I350 HydrophobicContact CD2-CD1 4.35Å; D346-I350 VanDerWaalsContact O-CG1 3.29Å; D346-I350 WeakPolarHBondContact O-CG1 3.47Å; D346-I350 PolarHBondContact O-N 2.97Å; I350-S354 VanDerWaalsContact O-CB 3.29Å; I350-S354 WeakPolarHBondContact O-CB 3.39Å; I350-S354 PolarHBondContact O-N 2.68Å; I350-S354 VanDerWaalsContact O-N 3.17Å; I350-S354 PolarHBondContact O-OG 3.12Å
351T94.8Very high92.9Very high76 Ų7695.7 Ų95.747%0.46654%0.535SS..Hα-helixtrans-66.9-46.6179.9-51.90000110.9Q347 T348 D349 S354 T355Q347-T351 PolarHBondContact NE2-OG1 2.99Å; Q347-T351 VanDerWaalsContact O-CB 3.26Å; Q347-T351 WeakPolarHBondContact O-CB 3.49Å; Q347-T351 PolarHBondContact O-N 3.14Å; Q347-T351 PolarHBondContact O-OG1 3.05Å; T348-T351 PolarHBondContact O-N 3.1Å; D349-T351 VanDerWaalsContact C-N 3.3Å; D349-T351 PolarHBondContact O-N 2.87Å; T351-S354 PolarHBondContact O-N 3.49Å; T351-S354 VanDerWaalsContact O-N 3.17Å; T351-T355 WeakPolarHBondContact O-CG2 3.45Å; T351-T355 PolarHBondContact O-N 3.06Å
352A92.8Very high93.2Very high51 Ų5190.1 Ų90.142%0.42152%0.515SS..Hα-helixtrans-60.8-47.5179.200000112.3T348 D349 S354 T355T348-A352 WeakPolarHBondContact O-CB 3.21Å; T348-A352 PolarHBondContact O-N 2.96Å; D349-A352 PolarHBondContact O-N 2.69Å; A352-S354 PolarHBondContact O-N 3.04Å; A352-T355 WeakPolarHBondContact O-CB 3.32Å; A352-T355 WeakPolarHBondContact O-CG2 3.39Å; A352-T355 PolarHBondContact O-N 2.99Å; A352-T355 PolarHBondContact O-OG1 3.35Å
353L93.3Very high93.5Very high84 Ų8489.1 Ų89.144%0.4450%0.498SS..Hα-helixtrans-67-17177.8-65.2168000113.3D349D349-L353 VanDerWaalsContact O-CB 3.29Å; D349-L353 WeakPolarHBondContact O-CB 3.19Å; D349-L353 WeakPolarHBondContact O-CD1 3.29Å; D349-L353 WeakPolarHBondContact O-CG 3.38Å; D349-L353 PolarHBondContact O-N 3.06Å
354S93.2Very high93.7Very high90 Ų9088.2 Ų88.263%0.62950%0.498SS*.THydrogen-bonded Turntrans-98.23.9177.9-53.90000113.8I350 T351 A352 S356I350-S354 VanDerWaalsContact O-CB 3.29Å; I350-S354 WeakPolarHBondContact O-CB 3.39Å; I350-S354 PolarHBondContact O-N 2.68Å; I350-S354 VanDerWaalsContact O-N 3.17Å; I350-S354 PolarHBondContact O-OG 3.12Å; T351-S354 PolarHBondContact O-N 3.49Å; T351-S354 VanDerWaalsContact O-N 3.17Å; A352-S354 PolarHBondContact O-N 3.04Å; S354-S356 VanDerWaalsContact C-N 3.34Å; S354-S356 PolarHBondContact O-N 3.29Å
355T93.6Very high94Very high105 Ų10588.3 Ų88.364%0.64449%0.492SS*.SBendtrans-69.2-27.8-177.251.70000113.9T351 A352T351-T355 WeakPolarHBondContact O-CG2 3.45Å; T351-T355 PolarHBondContact O-N 3.06Å; A352-T355 WeakPolarHBondContact O-CB 3.32Å; A352-T355 WeakPolarHBondContact O-CG2 3.39Å; A352-T355 PolarHBondContact O-N 2.99Å; A352-T355 PolarHBondContact O-OG1 3.35Å
356S93.3Very high94.3Very high63 Ų6388.4 Ų88.444%0.44149%0.489SS..SBendtrans-155.4168.1173.876.40000110.5S354 D358 A359S354-S356 VanDerWaalsContact C-N 3.34Å; S354-S356 PolarHBondContact O-N 3.29Å; S356-D358 VanDerWaalsContact C-N 3.28Å; S356-D358 PolarHBondContact O-N 2.99Å; S356-A359 WeakPolarHBondContact O-CB 3.42Å; S356-A359 PolarHBondContact O-N 3.18Å; S356-A359 PolarHBondContact OG-N 3.44Å
357H92.6Very high94.6Very high187 Ų18789.5 Ų89.587%0.86650%0.495SS*.THydrogen-bonded Turntrans-58-40178.9-171.471.4000112.7
358D95Very high94.8Very high93 Ų9387.4 Ų87.450%0.49749%0.488SS..THydrogen-bonded Turntrans-92.3-5.6-176.3-63.3-35.4000113.9S356 G360 V361 L362S356-D358 VanDerWaalsContact C-N 3.28Å; S356-D358 PolarHBondContact O-N 2.99Å; D358-G360 VanDerWaalsContact C-N 3.26Å; D358-G360 PolarHBondContact O-N 3.15Å; D358-G360 VanDerWaalsContact O-N 3.16Å; D358-V361 WeakPolarHBondContact O-CA 3.38Å; D358-V361 WeakPolarHBondContact O-CB 3.39Å; D358-V361 PolarHBondContact O-N 2.66Å; D358-L362 HydrophobicContact CB-CD1 4.43Å; D358-L362 HydrophobicContact CB-CG 4.47Å; D358-L362 WeakPolarHBondContact O-CG 3.31Å; D358-L362 PolarHBondContact O-N 3.01Å
359A94.8Very high95Very high9 Ų987.7 Ų87.77%0.07449%0.49CS..Hα-helixtrans-51.8-43.9-173.800000112.5S356 V361 L362 S363S356-A359 WeakPolarHBondContact O-CB 3.42Å; S356-A359 PolarHBondContact O-N 3.18Å; S356-A359 PolarHBondContact OG-N 3.44Å; A359-V361 PolarHBondContact O-N 3.26Å; A359-L362 PolarHBondContact O-N 3.47Å; A359-S363 PolarHBondContact O-N 3.37Å; A359-S363 PolarHBondContact O-OG 2.89Å; A359-S363 VanDerWaalsContact O-OG 3.11Å
360G93.4Very high95.2Very high26 Ų2687.9 Ų87.927%0.26849%0.487SS..Hα-helixtrans-64.3-37.4175.900000114.6D358 V364D358-G360 VanDerWaalsContact C-N 3.26Å; D358-G360 PolarHBondContact O-N 3.15Å; D358-G360 VanDerWaalsContact O-N 3.16Å; G360-V364 WeakPolarHBondContact O-CG2 3.36Å; G360-V364 PolarHBondContact O-N 3.13Å; G360-V364 VanDerWaalsContact O-N 3.12Å
361V95.6Very high95.5Very high78 Ų7888.3 Ų88.347%0.47349%0.49SS..Hα-helixtrans-68.9-40.5176.9-178.90000110.5D358 A359 V364 R365D358-V361 WeakPolarHBondContact O-CA 3.38Å; D358-V361 WeakPolarHBondContact O-CB 3.39Å; D358-V361 PolarHBondContact O-N 2.66Å; A359-V361 PolarHBondContact O-N 3.26Å; V361-V364 PolarHBondContact O-N 3.4Å; V361-R365 WeakPolarHBondContact O-CG 3.42Å; V361-R365 PolarHBondContact O-N 3.5Å
362L95.8Very high95.7Very high105 Ų10588.7 Ų88.755%0.5549%0.492SS..Hα-helixtrans-65.8-45176.7-64.7174.3000111.7D358 A359 V364 R365 Q366D358-L362 HydrophobicContact CB-CD1 4.43Å; D358-L362 HydrophobicContact CB-CG 4.47Å; D358-L362 WeakPolarHBondContact O-CG 3.31Å; D358-L362 PolarHBondContact O-N 3.01Å; A359-L362 PolarHBondContact O-N 3.47Å; L362-V364 PolarHBondContact O-N 2.65Å; L362-R365 PolarHBondContact O-N 3.31Å; L362-Q366 PolarHBondContact O-N 3.24Å
363S95.6Very high95.9Very high42 Ų4288.7 Ų88.729%0.29449%0.489SS..Hα-helixtrans-60.4-41.6175.9-63.50000112.7A359 Q366 L367A359-S363 PolarHBondContact O-N 3.37Å; A359-S363 PolarHBondContact O-OG 2.89Å; A359-S363 VanDerWaalsContact O-OG 3.11Å; S363-Q366 PolarHBondContact O-N 3.02Å; S363-L367 WeakPolarHBondContact O-CG 3.46Å; S363-L367 PolarHBondContact O-N 3.19Å
364V96.1Very high96.2Very high85 Ų8589.4 Ų89.452%0.51549%0.493SS..Hα-helixtrans-63.6-47.6175.5171.80000111G360 V361 L362 Q366 L367 D368G360-V364 WeakPolarHBondContact O-CG2 3.36Å; G360-V364 PolarHBondContact O-N 3.13Å; G360-V364 VanDerWaalsContact O-N 3.12Å; V361-V364 PolarHBondContact O-N 3.4Å; L362-V364 PolarHBondContact O-N 2.65Å; V364-Q366 VanDerWaalsContact C-N 3.28Å; V364-Q366 PolarHBondContact O-N 2.66Å; V364-L367 PolarHBondContact O-N 3.14Å; V364-L367 VanDerWaalsContact O-N 3.13Å; V364-D368 PolarHBondContact O-N 3.14Å
365R97.1Very high96.4Very high169 Ų16990.9 Ų90.964%0.63849%0.488SS*.Hα-helixtrans-60.3-35.2176.9-73.7179.1177-164.90.6113.2V361 L362 T369V361-R365 WeakPolarHBondContact O-CG 3.42Å; V361-R365 PolarHBondContact O-N 3.5Å; L362-R365 PolarHBondContact O-N 3.31Å; R365-T369 WeakPolarHBondContact O-CB 3.26Å; R365-T369 PolarHBondContact O-N 3.22Å; R365-T369 PolarHBondContact O-OG1 3.15Å
366Q97.6Very high96.7Very high112 Ų11293.2 Ų93.252%0.52349%0.485SS..Hα-helixtrans-66.6-45.5174.2-173.6178.79.300111.3L362 S363 V364 T369 H370L362-Q366 PolarHBondContact O-N 3.24Å; S363-Q366 PolarHBondContact O-N 3.02Å; V364-Q366 VanDerWaalsContact C-N 3.28Å; V364-Q366 PolarHBondContact O-N 2.66Å; Q366-T369 WeakPolarHBondContact O-CB 3.34Å; Q366-T369 PolarHBondContact O-N 3.31Å; Q366-H370 PolarHBondContact O-CD2 3.01Å; Q366-H370 PolarHBondContact O-N 3.06Å
367L97.5Very high96.9Very high118 Ų11895.6 Ų95.662%0.61849%0.489SS*.Hα-helixtrans-63.8-39.7177.5-70.5172000112.4S363 V364 H370 L371S363-L367 WeakPolarHBondContact O-CG 3.46Å; S363-L367 PolarHBondContact O-N 3.19Å; V364-L367 PolarHBondContact O-N 3.14Å; V364-L367 VanDerWaalsContact O-N 3.13Å; L367-H370 PolarHBondContact O-N 3.41Å; L367-L371 VanDerWaalsContact O-CB 3.28Å; L367-L371 WeakPolarHBondContact O-CB 3.48Å; L367-L371 PolarHBondContact O-N 3.15Å
368D98.3Very high97.2Very high89 Ų8990.3 Ų90.348%0.47647%0.469SS..Hα-helixtrans-63.8-43.2173.3-80.5-39.9000111.9V364 H370 L371 V372V364-D368 PolarHBondContact O-N 3.14Å; D368-H370 PolarHBondContact O-N 3.32Å; D368-L371 WeakPolarHBondContact O-CB 3.44Å; D368-L371 PolarHBondContact O-N 3.23Å; D368-V372 WeakPolarHBondContact O-CG2 3.43Å; D368-V372 PolarHBondContact O-N 3.44Å
369T98.1Very high97.4Very high95 Ų9591.3 Ų91.358%0.58347%0.471SS*.Hα-helixtrans-59.7-45.1174.3-59.10000111.4R365 Q366 V372 S373R365-T369 WeakPolarHBondContact O-CB 3.26Å; R365-T369 PolarHBondContact O-N 3.22Å; R365-T369 PolarHBondContact O-OG1 3.15Å; Q366-T369 WeakPolarHBondContact O-CB 3.34Å; Q366-T369 PolarHBondContact O-N 3.31Å; T369-V372 PolarHBondContact O-N 3.03Å; T369-S373 PolarHBondContact O-N 3.08Å
370H98.4Very high97.5Very high97 Ų9794 Ų9445%0.44949%0.489SS..Hα-helixtrans-62.8-42.7175.5-72.7-158.7000111.3Q366 L367 D368 S373 L374Q366-H370 PolarHBondContact O-CD2 3.01Å; Q366-H370 PolarHBondContact O-N 3.06Å; L367-H370 PolarHBondContact O-N 3.41Å; D368-H370 PolarHBondContact O-N 3.32Å; H370-S373 WeakPolarHBondContact O-CB 3.49Å; H370-S373 PolarHBondContact O-N 3.43Å; H370-L374 WeakPolarHBondContact O-CG 3.12Å; H370-L374 PolarHBondContact O-N 3.4Å
371L98.4Very high97.8Very high80 Ų8096.8 Ų96.842%0.41950%0.497SS..Hα-helixtrans-62.7-41.3177.6178.162.6000112.2L367 D368 K375L367-L371 VanDerWaalsContact O-CB 3.28Å; L367-L371 WeakPolarHBondContact O-CB 3.48Å; L367-L371 PolarHBondContact O-N 3.15Å; D368-L371 WeakPolarHBondContact O-CB 3.44Å; D368-L371 PolarHBondContact O-N 3.23Å; L371-K375 HydrophobicContact CD1-CD 4.49Å; L371-K375 HydrophobicContact CG-CD 4.25Å; L371-K375 WeakPolarHBondContact O-CB 3.4Å; L371-K375 WeakPolarHBondContact O-CD 3.28Å; L371-K375 WeakPolarHBondContact O-CG 3.49Å; L371-K375 PolarHBondContact O-N 2.9Å
372V98.4Very high97.9Very high85 Ų8598.9 Ų98.952%0.51550%0.5SS..Hα-helixtrans-65.3-41.2173.9170.70000111D368 T369 K375 R376D368-V372 WeakPolarHBondContact O-CG2 3.43Å; D368-V372 PolarHBondContact O-N 3.44Å; T369-V372 PolarHBondContact O-N 3.03Å; V372-K375 PolarHBondContact O-N 3.41Å; V372-R376 PolarHBondContact O-N 3.2Å
373S98.5Very high98Very high51 Ų51101 Ų10136%0.35751%0.507SS..Hα-helixtrans-62.3-47.2176.8-152.20000112.1T369 H370 R376 Q377T369-S373 PolarHBondContact O-N 3.08Å; H370-S373 WeakPolarHBondContact O-CB 3.49Å; H370-S373 PolarHBondContact O-N 3.43Å; S373-R376 WeakPolarHBondContact O-CB 3.42Å; S373-R376 PolarHBondContact O-N 3.33Å; S373-R376 PolarHBondContact OG-NH2 2.87Å; S373-Q377 PolarHBondContact O-N 3.43Å
374L98.6Very high98.2Very high99 Ų99102.7 Ų102.752%0.51852%0.516SS..Hα-helixtrans-64-39.9175.8-70.6170.3000112.3H370 R376 Q377 V378H370-L374 WeakPolarHBondContact O-CG 3.12Å; H370-L374 PolarHBondContact O-N 3.4Å; L374-R376 VanDerWaalsContact C-N 3.35Å; L374-R376 PolarHBondContact O-N 3.08Å; L374-Q377 PolarHBondContact O-N 3.31Å; L374-V378 WeakPolarHBondContact O-CG2 3.45Å; L374-V378 PolarHBondContact O-N 3.04Å
375K98.5Very high98.3Very high120 Ų120102.4 Ų102.452%0.52251%0.511SS..Hα-helixtrans-58.3-45.3172.7-78166.9178.8171.90111.3L371 V372 V378 Q379L371-K375 HydrophobicContact CD1-CD 4.49Å; L371-K375 HydrophobicContact CG-CD 4.25Å; L371-K375 WeakPolarHBondContact O-CB 3.4Å; L371-K375 WeakPolarHBondContact O-CD 3.28Å; L371-K375 WeakPolarHBondContact O-CG 3.49Å; L371-K375 PolarHBondContact O-N 2.9Å; V372-K375 PolarHBondContact O-N 3.41Å; K375-V378 PolarHBondContact O-N 3.3Å; K375-Q379 WeakPolarHBondContact O-CG 3.42Å; K375-Q379 PolarHBondContact O-N 3.03Å; K375-Q379 VanDerWaalsContact O-N 3.14Å
376R98.6Very high98.3Very high155 Ų15596.7 Ų96.759%0.58550%0.498SS*.Hα-helixtrans-62.4-44.8176.8-174175.564.9-100.1-7.2111.7V372 S373 L374 V378 Q379 S380V372-R376 PolarHBondContact O-N 3.2Å; S373-R376 WeakPolarHBondContact O-CB 3.42Å; S373-R376 PolarHBondContact O-N 3.33Å; S373-R376 PolarHBondContact OG-NH2 2.87Å; L374-R376 VanDerWaalsContact C-N 3.35Å; L374-R376 PolarHBondContact O-N 3.08Å; R376-V378 VanDerWaalsContact C-N 3.34Å; R376-V378 PolarHBondContact O-N 2.95Å; R376-Q379 PolarHBondContact O-N 2.83Å; R376-S380 PolarHBondContact O-N 3.26Å
377Q98.5Very high98.3Very high113 Ų11395 Ų9553%0.52850%0.498SS..Hα-helixtrans-59.6-42.4175.9-167.7-176.617.500112S373 L374 Q379 S380 I381S373-Q377 PolarHBondContact O-N 3.43Å; L374-Q377 PolarHBondContact O-N 3.31Å; Q377-Q379 VanDerWaalsContact C-N 3.35Å; Q377-Q379 PolarHBondContact O-N 3.35Å; Q377-S380 PolarHBondContact O-N 3.34Å; Q377-I381 HydrophobicContact CG-CD1 3.98Å; Q377-I381 WeakPolarHBondContact O-CB 3.03Å; Q377-I381 WeakPolarHBondContact O-CG1 3.46Å; Q377-I381 PolarHBondContact O-N 3.46Å
378V98.6Very high98.3Very high75 Ų7593.7 Ų93.746%0.45549%0.491SS..Hα-helixtrans-62.2-38.2175.9166.30000112.3L374 K375 R376 K382L374-V378 WeakPolarHBondContact O-CG2 3.45Å; L374-V378 PolarHBondContact O-N 3.04Å; K375-V378 PolarHBondContact O-N 3.3Å; R376-V378 VanDerWaalsContact C-N 3.34Å; R376-V378 PolarHBondContact O-N 2.95Å; V378-K382 HydrophobicContact CG1-CD 4.28Å; V378-K382 VanDerWaalsContact O-CG 3.29Å; V378-K382 WeakPolarHBondContact O-CG 3.47Å; V378-K382 PolarHBondContact O-N 3.13Å
379Q98.4Very high98.2Very high114 Ų11496.8 Ų96.853%0.53350%0.5SS..Hα-helixtrans-70.3-40176.3-58.3-69.349.200111.8K375 R376 Q377 K382 Q383K375-Q379 WeakPolarHBondContact O-CG 3.42Å; K375-Q379 PolarHBondContact O-N 3.03Å; K375-Q379 VanDerWaalsContact O-N 3.14Å; R376-Q379 PolarHBondContact O-N 2.83Å; Q377-Q379 VanDerWaalsContact C-N 3.35Å; Q377-Q379 PolarHBondContact O-N 3.35Å; Q379-K382 WeakPolarHBondContact O-CB 3.43Å; Q379-K382 PolarHBondContact O-N 3.29Å; Q379-Q383 PolarHBondContact O-N 3.39Å
380S98.4Very high98Very high66 Ų6697.5 Ų97.546%0.46250%0.497SS..Hα-helixtrans-58.8-49.2172.3172.60000111.7R376 Q377 K382 Q383 T384R376-S380 PolarHBondContact O-N 3.26Å; Q377-S380 PolarHBondContact O-N 3.34Å; S380-K382 VanDerWaalsContact C-N 3.29Å; S380-K382 PolarHBondContact O-N 2.97Å; S380-Q383 WeakPolarHBondContact O-CB 3.34Å; S380-Q383 PolarHBondContact O-N 3.24Å; S380-Q383 VanDerWaalsContact O-N 3.08Å; S380-T384 PolarHBondContact O-N 3.11Å; S380-T384 PolarHBondContact O-OG1 3.06Å
381I98.5Very high97.8Very high85 Ų8597.2 Ų97.244%0.43651%0.506SS..Hα-helixtrans-60.4-37.6176.9-70.2168.3000111.6Q377 N385Q377-I381 HydrophobicContact CG-CD1 3.98Å; Q377-I381 WeakPolarHBondContact O-CB 3.03Å; Q377-I381 WeakPolarHBondContact O-CG1 3.46Å; Q377-I381 PolarHBondContact O-N 3.46Å; I381-N385 VanDerWaalsContact CG2-ND2 3.32Å; I381-N385 WeakPolarHBondContact CG2-ND2 3.29Å; I381-N385 VanDerWaalsContact O-CB 3.26Å; I381-N385 WeakPolarHBondContact O-CB 3.47Å; I381-N385 VanDerWaalsContact O-CG 3.29Å; I381-N385 PolarHBondContact O-N 3.3Å; I381-N385 PolarHBondContact O-ND2 3.17Å
382K98.5Very high97.6Very high121 Ų12199.6 Ų99.653%0.52652%0.518SS..Hα-helixtrans-64.2-42.7173.3-77.5165176.2-178.70112.3V378 Q379 S380 N385 S386V378-K382 HydrophobicContact CG1-CD 4.28Å; V378-K382 VanDerWaalsContact O-CG 3.29Å; V378-K382 WeakPolarHBondContact O-CG 3.47Å; V378-K382 PolarHBondContact O-N 3.13Å; Q379-K382 WeakPolarHBondContact O-CB 3.43Å; Q379-K382 PolarHBondContact O-N 3.29Å; S380-K382 VanDerWaalsContact C-N 3.29Å; S380-K382 PolarHBondContact O-N 2.97Å; K382-N385 PolarHBondContact O-N 3.19Å; K382-S386 WeakPolarHBondContact O-CB 3.49Å; K382-S386 PolarHBondContact O-N 3.24Å
383Q98.2Very high97.3Very high150 Ų15099.4 Ų99.470%0.70152%0.517SS*.Hα-helixtrans-62.7-49.1178.8-173.8177.2-1.800111.1Q379 S380 N385 S386 S387Q379-Q383 PolarHBondContact O-N 3.39Å; S380-Q383 WeakPolarHBondContact O-CB 3.34Å; S380-Q383 PolarHBondContact O-N 3.24Å; S380-Q383 VanDerWaalsContact O-N 3.08Å; Q383-N385 PolarHBondContact O-N 3.32Å; Q383-S386 WeakPolarHBondContact O-CB 3.41Å; Q383-S386 PolarHBondContact O-N 2.73Å; Q383-S386 VanDerWaalsContact O-N 3.1Å; Q383-S387 PolarHBondContact O-N 3.05Å
384T98.2Very high96.7Very high77 Ų77105.2 Ų105.247%0.47254%0.539SS..Hα-helixtrans-59.3-46.9175.5-54.50000111.6S380 S386 S387 L388S380-T384 PolarHBondContact O-N 3.11Å; S380-T384 PolarHBondContact O-OG1 3.06Å; T384-S386 VanDerWaalsContact C-N 3.25Å; T384-S386 PolarHBondContact O-N 3.23Å; T384-S387 PolarHBondContact O-N 2.86Å; T384-L388 HydrophobicContact CG2-CD1 4.17Å; T384-L388 WeakPolarHBondContact O-CG 3.46Å; T384-L388 PolarHBondContact O-N 2.82Å
385N97.9Very high96.3Very high79 Ų79102.4 Ų102.442%0.42253%0.534SS..Hα-helixtrans-65.5-25.3176.3-77.5-43.2000113.6I381 K382 Q383 K389I381-N385 VanDerWaalsContact CG2-ND2 3.32Å; I381-N385 WeakPolarHBondContact CG2-ND2 3.29Å; I381-N385 VanDerWaalsContact O-CB 3.26Å; I381-N385 WeakPolarHBondContact O-CB 3.47Å; I381-N385 VanDerWaalsContact O-CG 3.29Å; I381-N385 PolarHBondContact O-N 3.3Å; I381-N385 PolarHBondContact O-ND2 3.17Å; K382-N385 PolarHBondContact O-N 3.19Å; Q383-N385 PolarHBondContact O-N 3.32Å; N385-K389 WeakPolarHBondContact O-CB 3.41Å; N385-K389 WeakPolarHBondContact O-CD 3.26Å; N385-K389 WeakPolarHBondContact O-CG 3.23Å; N385-K389 PolarHBondContact O-N 3.36Å; N385-K389 VanDerWaalsContact O-N 3.08Å
386S97.8Very high96Very high50 Ų50101.3 Ų101.335%0.3554%0.537SS..Hα-helixtrans-71.3-44.9173.7-158.30000110.9K382 Q383 T384 K389 Q390K382-S386 WeakPolarHBondContact O-CB 3.49Å; K382-S386 PolarHBondContact O-N 3.24Å; Q383-S386 WeakPolarHBondContact O-CB 3.41Å; Q383-S386 PolarHBondContact O-N 2.73Å; Q383-S386 VanDerWaalsContact O-N 3.1Å; T384-S386 VanDerWaalsContact C-N 3.25Å; T384-S386 PolarHBondContact O-N 3.23Å; S386-K389 PolarHBondContact O-N 2.87Å; S386-Q390 PolarHBondContact O-N 3.38Å
387S97.4Very high95.5Very high75 Ų7598.7 Ų98.752%0.52454%0.535SS..Hα-helixtrans-60-48.4174-177.30000112Q383 T384 K389 Q390 S391Q383-S387 PolarHBondContact O-N 3.05Å; T384-S387 PolarHBondContact O-N 2.86Å; S387-K389 VanDerWaalsContact C-N 3.29Å; S387-K389 PolarHBondContact O-N 3.25Å; S387-Q390 WeakPolarHBondContact O-CA 3.43Å; S387-Q390 VanDerWaalsContact O-CB 3.31Å; S387-Q390 WeakPolarHBondContact O-CB 3.36Å; S387-Q390 PolarHBondContact O-N 3.43Å; S387-S391 PolarHBondContact O-N 3.32Å
388L97.1Very high95Very high92 Ų9299.1 Ų99.148%0.48255%0.545SS..Hα-helixtrans-63.8-30.8177-67.3174.1000113.2T384 S391 L392T384-L388 HydrophobicContact CG2-CD1 4.17Å; T384-L388 WeakPolarHBondContact O-CG 3.46Å; T384-L388 PolarHBondContact O-N 2.82Å; L388-S391 PolarHBondContact O-OG 2.92Å; L388-S391 VanDerWaalsContact O-OG 3.12Å; L388-L392 WeakPolarHBondContact O-CD1 3.2Å; L388-L392 VanDerWaalsContact O-CG 3.26Å; L388-L392 WeakPolarHBondContact O-CG 3.37Å; L388-L392 PolarHBondContact O-N 2.76Å
389K96.5Very high94.6Very high153 Ų153103.6 Ų103.667%0.66556%0.559SS**Hα-helixtrans-69.8-37170.3-78.6171-179.5-176.70111.8N385 S386 S387 L392 T393N385-K389 WeakPolarHBondContact O-CB 3.41Å; N385-K389 WeakPolarHBondContact O-CD 3.26Å; N385-K389 WeakPolarHBondContact O-CG 3.23Å; N385-K389 PolarHBondContact O-N 3.36Å; N385-K389 VanDerWaalsContact O-N 3.08Å; S386-K389 PolarHBondContact O-N 2.87Å; S387-K389 VanDerWaalsContact C-N 3.29Å; S387-K389 PolarHBondContact O-N 3.25Å; K389-L392 CarbonylContact O-C 3.58Å; K389-L392 PolarHBondContact O-N 3.07Å; K389-T393 PolarHBondContact O-N 3.25Å; K389-T393 PolarHBondContact O-OG1 2.9Å
390Q95.5Very high94.2Very high111 Ų111105.7 Ų105.752%0.51956%0.561SS.*Hα-helixtrans-63.5-46.8178.5-160.2170.8-7.100111.5F57 S386 S387 L392 T393F57-Q390 HydrophobicContact CE2-CB 4.44Å; F57-Q390 HydrophobicContact CE2-CG 3.99Å; F57-Q390 HydrophobicContact CZ-CB 3.94Å; F57-Q390 HydrophobicContact CZ-CG 3.85Å; S386-Q390 PolarHBondContact O-N 3.38Å; S387-Q390 WeakPolarHBondContact O-CA 3.43Å; S387-Q390 VanDerWaalsContact O-CB 3.31Å; S387-Q390 WeakPolarHBondContact O-CB 3.36Å; S387-Q390 PolarHBondContact O-N 3.43Å; Q390-L392 PolarHBondContact O-N 2.9Å; Q390-T393 WeakPolarHBondContact CA-OG1 3.45Å; Q390-T393 WeakPolarHBondContact O-CB 3.04Å; Q390-T393 PolarHBondContact O-N 3.38Å; Q390-T393 VanDerWaalsContact O-N 3.13Å; Q390-T393 PolarHBondContact O-OG1 3.31Å
391S94.1Very high93.6Very high90 Ų90107.6 Ų107.663%0.62957%0.572SS**Hα-helixtrans-66-1917757.10000114S387 L388S387-S391 PolarHBondContact O-N 3.32Å; L388-S391 PolarHBondContact O-OG 2.92Å; L388-S391 VanDerWaalsContact O-OG 3.12Å
392L93.7Very high92.9Very high130 Ų130108.4 Ų108.468%0.68159%0.591SS**THydrogen-bonded Turntrans-986.3175.6-64.5173.6000113.7L388 K389 Q390 E394 G395L388-L392 WeakPolarHBondContact O-CD1 3.2Å; L388-L392 VanDerWaalsContact O-CG 3.26Å; L388-L392 WeakPolarHBondContact O-CG 3.37Å; L388-L392 PolarHBondContact O-N 2.76Å; K389-L392 CarbonylContact O-C 3.58Å; K389-L392 PolarHBondContact O-N 3.07Å; Q390-L392 PolarHBondContact O-N 2.9Å; L392-E394 VanDerWaalsContact C-N 3.28Å; L392-E394 PolarHBondContact O-N 3.47Å; L392-G395 PolarHBondContact O-N 3.07Å
393T91.6Very high92.1Very high81 Ų81111.2 Ų111.250%0.49761%0.606SS.*THydrogen-bonded Turntrans-61.6-33.2-175.3-54.30000113.2T55 K389 Q390 G395T55-T393 HydrophobicContact CG2-CG2 4.03Å; K389-T393 PolarHBondContact O-N 3.25Å; K389-T393 PolarHBondContact O-OG1 2.9Å; Q390-T393 WeakPolarHBondContact CA-OG1 3.45Å; Q390-T393 WeakPolarHBondContact O-CB 3.04Å; Q390-T393 PolarHBondContact O-N 3.38Å; Q390-T393 VanDerWaalsContact O-N 3.13Å; Q390-T393 PolarHBondContact O-OG1 3.31Å; T393-G395 PolarHBondContact O-N 2.96Å
394E86.4Confident91Very high173 Ų173109.2 Ų109.281%0.80861%0.607SS**THydrogen-bonded Turntrans-75.8-9.3179.8-58.1-172.1168.100112.9L392L392-E394 VanDerWaalsContact C-N 3.28Å; L392-E394 PolarHBondContact O-N 3.47Å
395G89.4Confident89.9Confident40 Ų40110.1 Ų110.141%0.41262%0.622SS.*  trans65.6-149.2177.400000113.2L392 T393L392-G395 PolarHBondContact O-N 3.07Å; T393-G395 PolarHBondContact O-N 2.96Å
396V92.8Very high89Confident98 Ų98109.9 Ų109.959%0.59462%0.624SS**SBendtrans-127.24.6176-620000113.1V398 F399 R400V396-V398 VanDerWaalsContact C-N 3.27Å; V396-V398 PolarHBondContact O-N 3.05Å; V396-F399 CarbonylContact O-C 3.59Å; V396-F399 WeakPolarHBondContact O-CA 3.46Å; V396-F399 PolarHBondContact O-N 3.5Å; V396-R400 PolarHBondContact O-N 3.34Å
397D87.8Confident88.5Confident99 Ų99116.5 Ų116.553%0.52965%0.647SS.*G310 helixtrans-67.1-27.9-175-61.8-70.3000112.7F399 R400D397-F399 PolarHBondContact O-N 3.13Å; D397-R400 PolarHBondContact O-N 2.95Å; D397-R400 IonicContact OD1-CZ 3.04Å; D397-R400 IonicContact OD1-NH1 3.29Å; D397-R400 PolarHBondContact OD1-NH1 2.95Å; D397-R400 IonicContact OD1-NH2 2.7Å; D397-R400 PolarHBondContact OD1-NH2 3.21Å
398V88.8Confident88.3Confident123 Ų123118 Ų11875%0.74565%0.647SS**G310 helixtrans-64-28171.1-175.90000111.9V396V396-V398 VanDerWaalsContact C-N 3.27Å; V396-V398 PolarHBondContact O-N 3.05Å
399F88.9Confident88Confident169 Ų169116.9 Ų116.974%0.74164%0.642SS**G310 helixtrans-96.3-3179.8-55.8-70.8000113.4V396 D397 P401V396-F399 CarbonylContact O-C 3.59Å; V396-F399 WeakPolarHBondContact O-CA 3.46Å; V396-F399 PolarHBondContact O-N 3.5Å; D397-F399 PolarHBondContact O-N 3.13Å; F399-P401 VanDerWaalsContact O-CD 3.28Å; F399-P401 WeakPolarHBondContact O-CD 3.12Å
400R90.4Very high87.8Confident157 Ų157113.9 Ų113.959%0.59264%0.64SS**  trans-75118.6177.5-172.4-178.8-63.2109.79.8109.9V396 D397V396-R400 PolarHBondContact O-N 3.34Å; D397-R400 PolarHBondContact O-N 2.95Å; D397-R400 IonicContact OD1-CZ 3.04Å; D397-R400 IonicContact OD1-NH1 3.29Å; D397-R400 PolarHBondContact OD1-NH1 2.95Å; D397-R400 IonicContact OD1-NH2 2.7Å; D397-R400 PolarHBondContact OD1-NH2 3.21Å
401P87.1Confident87.8Confident107 Ų107117.7 Ų117.770%0.69565%0.649SS**  trans-64.6153174-19.233.6000111.6F399 E403F399-P401 VanDerWaalsContact O-CD 3.28Å; F399-P401 WeakPolarHBondContact O-CD 3.12Å; P401-E403 PolarHBondContact O-N 3.5Å
402A83.3Confident88Confident101 Ų101115.6 Ų115.684%0.83563%0.628SS**  trans-71.1110.2169.300000109.5P404A402-P404 VanDerWaalsContact O-CD 3.3Å; A402-P404 WeakPolarHBondContact O-CD 3.49Å
403E80.8Confident88.1Confident180 Ų180112 Ų11284%0.84161%0.611SS**  trans-86.7112.6-174.3-169.8179.6-176.200111.6P401P401-E403 PolarHBondContact O-N 3.5Å
404P75.9Confident88.4Confident109 Ų109113.1 Ų113.171%0.70862%0.618SS**  trans-82.9121.1177.632.5-31.6000110.4A402 P406A402-P404 VanDerWaalsContact O-CD 3.3Å; A402-P404 WeakPolarHBondContact O-CD 3.49Å; P404-P406 WeakPolarHBondContact O-CD 3.45Å
405A75.3Confident88.9Confident95 Ų95111.7 Ų111.779%0.78561%0.611SS**  trans-56.5110.9179.300000111.9
406P78.3Confident89.2Confident74 Ų74110.5 Ų110.548%0.48160%0.595SS.*  trans-79.9134.2-167.830.1-33.9000112.1P404 M408 G439P404-P406 WeakPolarHBondContact O-CD 3.45Å; P406-M408 PolarHBondContact O-N 2.68Å; P406-G439 VanDerWaalsContact CB-O 3.26Å; P406-G439 WeakPolarHBondContact CB-O 3.44Å
407K88.3Confident89.4Confident190 Ų190107.1 Ų107.183%0.82657%0.573SS**  trans-83.3101.2174.3-69.1178.4-177.6172.70109.6N409K407-N409 PolarHBondContact O-N 2.74Å
408M92.1Very high89.9Confident105 Ų105106.9 Ų106.952%0.51757%0.571SS.*  trans-53.8127.9178.8-55.3-96.47900111.3P406 G439 T440 T442P406-M408 PolarHBondContact O-N 2.68Å; M408-G439 VanDerWaalsContact CE-O 3.26Å; M408-G439 WeakPolarHBondContact CE-O 3.44Å; M408-T440 WeakPolarHBondContact CA-O 3.41Å; M408-T442 HydrophobicContact CE-CG2 4.27Å; M408-T442 HydrophobicContact SD-CG2 3.36Å; M408-T442 WeakPolarHBondContact SD-CG2 3.42Å
409N91.3Very high90.3Very high70 Ų70104 Ų10437%0.37455%0.551SS.*  trans-134.9124.1-175.9-178.42.5000111.1K407 R411 T440 K441K407-N409 PolarHBondContact O-N 2.74Å; N409-R411 PolarHBondContact OD1-N 2.81Å; N409-T440 PolarHBondContact N-O 3.46Å; N409-K441 WeakPolarHBondContact O-CD 3.38Å; N409-K441 VanDerWaalsContact O-CE 3.32Å; N409-K441 WeakPolarHBondContact O-CE 3.41Å; N409-K441 PolarHBondContact O-NZ 2.99Å
410S92.8Very high90.7Very high90 Ų9096 Ų9663%0.62952%0.516SS*.  trans-84-9.6-178.6-162.10000115.1Q445S410-Q445 PolarHBondContact OG-NE2 3.09Å
411R95.2Very high91Very high190 Ų19089.9 Ų89.972%0.71750%0.496SS*.SBendtrans-78.4139.7169-179.5174.5-70.3-87.91.5108.9N409 K441N409-R411 PolarHBondContact OD1-N 2.81Å; R411-K441 WeakPolarHBondContact O-CE 3.21Å; R411-K441 PolarHBondContact O-NZ 2.79Å
412W96.9Very high91.5Very high47 Ų4790.6 Ų90.618%0.17849%0.49CS..  trans-97.8115.5171.7-74.892.7000110E416 Q417 A420 I438 K441 Q445 V446 F449W412-E416 VanDerWaalsContact CA-OE2 3.3Å; W412-E416 WeakPolarHBondContact CA-OE2 3.45Å; W412-E416 HydrophobicContact CE3-CB 3.87Å; W412-E416 HydrophobicContact CZ3-CB 4.22Å; W412-Q417 HydrophobicContact CB-CG 4.1Å; W412-Q417 HydrophobicContact CE3-CG 4.15Å; W412-Q417 PolarHBondContact O-NE2 2.95Å; W412-A420 HydrophobicContact CH2-CB 4.37Å; W412-A420 HydrophobicContact CZ3-CB 3.96Å; W412-I438 HydrophobicContact CH2-CD1 3.98Å; W412-I438 HydrophobicContact CZ3-CD1 4.03Å; W412-K441 HydrophobicContact CD2-CD 4.16Å; W412-K441 VanDerWaalsContact CD2-CE 3.47Å; W412-K441 HydrophobicContact CE3-CD 4.36Å; W412-K441 HydrophobicContact CH2-CB 4.29Å; W412-K441 HydrophobicContact CH2-CD 3.89Å; W412-K441 HydrophobicContact CH2-CG 3.66Å; W412-K441 HydrophobicContact CZ2-CB 4.49Å; W412-K441 HydrophobicContact CZ2-CD 3.63Å; W412-K441 HydrophobicContact CZ2-CG 3.91Å; W412-K441 HydrophobicContact CZ3-CD 4.24Å; W412-K441 HydrophobicContact CZ3-CG 3.98Å; W412-Q445 HydrophobicContact CZ2-CB 4.47Å; W412-V446 HydrophobicContact CH2-CG2 4.45Å; W412-F449 HydrophobicContact CD2-CD2 4.09Å; W412-F449 HydrophobicContact CE3-CD2 4.14Å; W412-F449 HydrophobicContact CH2-CB 3.88Å; W412-F449 HydrophobicContact CH2-CD1 4.4Å; W412-F449 HydrophobicContact CH2-CD2 4.31Å; W412-F449 AromaticContact CH2-CG 3.94Å; W412-F449 HydrophobicContact CH2-CG 3.94Å; W412-F449 HydrophobicContact CZ2-CB 3.44Å; W412-F449 VanDerWaalsContact CZ2-CB 3.44Å; W412-F449 HydrophobicContact CZ2-CD2 4.28Å; W412-F449 AromaticContact CZ2-CG 3.95Å; W412-F449 HydrophobicContact CZ2-CG 3.95Å; W412-F449 HydrophobicContact CZ3-CD2 4.25Å; W412-F449 HydrophobicContact CZ3-CG 4.27Å
413T96.6Very high92.2Very high54 Ų5486 Ų8633%0.33145%0.452SS..  trans-78.1166.3168.374.40000110.4E415 E416 Q417T413-E415 VanDerWaalsContact C-N 3.3Å; T413-E416 PolarHBondContact N-OE2 2.9Å; T413-E416 PolarHBondContact O-N 2.97Å; T413-E416 VanDerWaalsContact OG1-CG 3.27Å; T413-E416 WeakPolarHBondContact OG1-CG 3.33Å; T413-E416 PolarHBondContact OG1-N 3.16Å; T413-E416 VanDerWaalsContact OG1-N 3.08Å; T413-Q417 WeakPolarHBondContact O-CG 3.19Å; T413-Q417 PolarHBondContact O-N 3.02Å; T413-Q417 PolarHBondContact O-NE2 3.21Å
414T97.1Very high93Very high105 Ų10577.4 Ų77.464%0.64441%0.412SS*.Hα-helixtrans-63.8-38.7175.5-48.40000111.5Q417 L418T414-Q417 PolarHBondContact O-N 2.95Å; T414-L418 HydrophobicContact CG2-CD1 4.41Å; T414-L418 WeakPolarHBondContact O-CG 3.11Å; T414-L418 PolarHBondContact O-N 2.94Å
415E97.1Very high93.9Very high142 Ų14274.9 Ų74.966%0.66439%0.388SS*.Hα-helixtrans-59.5-50.9174.9177.8-180-150.600111.9T413 Q417 L418 L419T413-E415 VanDerWaalsContact C-N 3.3Å; E415-Q417 PolarHBondContact O-N 3.28Å; E415-L418 PolarHBondContact O-N 3.38Å; E415-L418 VanDerWaalsContact O-N 3.11Å; E415-L419 HydrophobicContact CG-CD1 4.26Å; E415-L419 WeakPolarHBondContact O-CG 3.27Å; E415-L419 PolarHBondContact O-N 3.35Å
416E96.8Very high94.9Very high15 Ų1579 Ų797%0.0738%0.384CS..Hα-helixtrans-60.7-33177.3-68.9170152.800112.4W412 T413 A420 I438 T440 K441W412-E416 VanDerWaalsContact CA-OE2 3.3Å; W412-E416 WeakPolarHBondContact CA-OE2 3.45Å; W412-E416 HydrophobicContact CE3-CB 3.87Å; W412-E416 HydrophobicContact CZ3-CB 4.22Å; T413-E416 PolarHBondContact N-OE2 2.9Å; T413-E416 PolarHBondContact O-N 2.97Å; T413-E416 VanDerWaalsContact OG1-CG 3.27Å; T413-E416 WeakPolarHBondContact OG1-CG 3.33Å; T413-E416 PolarHBondContact OG1-N 3.16Å; T413-E416 VanDerWaalsContact OG1-N 3.08Å; E416-A420 VanDerWaalsContact O-CB 3.29Å; E416-A420 WeakPolarHBondContact O-CB 3.29Å; E416-A420 PolarHBondContact O-N 2.84Å; E416-I438 HydrophobicContact CB-CG2 4.2Å; E416-I438 HydrophobicContact CG-CG2 4.1Å; E416-T440 PolarHBondContact OE1-OG1 2.82Å; E416-K441 IonicContact OE1-NZ 2.67Å; E416-K441 PolarHBondContact OE1-NZ 2.99Å; E416-K441 WeakPolarHBondContact OE2-CE 3.46Å; E416-K441 IonicContact OE2-NZ 2.98Å; E416-K441 PolarHBondContact OE2-NZ 3.19Å
417Q97.1Very high95.8Very high27 Ų2780.5 Ų80.513%0.12638%0.38CS..Hα-helixtrans-70.5-41175.5-67.5167.269.400111.6W412 T413 T414 E415 A420 V421 F449 Y453 F457W412-Q417 HydrophobicContact CB-CG 4.1Å; W412-Q417 HydrophobicContact CE3-CG 4.15Å; W412-Q417 PolarHBondContact O-NE2 2.95Å; T413-Q417 WeakPolarHBondContact O-CG 3.19Å; T413-Q417 PolarHBondContact O-N 3.02Å; T413-Q417 PolarHBondContact O-NE2 3.21Å; T414-Q417 PolarHBondContact O-N 2.95Å; E415-Q417 PolarHBondContact O-N 3.28Å; Q417-A420 PolarHBondContact O-N 3.39Å; Q417-V421 WeakPolarHBondContact O-CG2 3.48Å; Q417-V421 PolarHBondContact O-N 3.38Å; Q417-F449 HydrophobicContact CB-CE2 4.13Å; Q417-F449 HydrophobicContact CB-CZ 4.36Å; Q417-F449 HydrophobicContact CG-CE2 3.8Å; Q417-Y453 HydrophobicContact CG-CE1 4.49Å; Q417-F457 HydrophobicContact CB-CE2 4.06Å; Q417-F457 HydrophobicContact CB-CZ 4.16Å
418L97.3Very high96.1Very high94 Ų9471.4 Ų71.449%0.49234%0.341SS..Hα-helixtrans-69-37.9175.9-68.7172.1000112T414 E415 V421 Q422T414-L418 HydrophobicContact CG2-CD1 4.41Å; T414-L418 WeakPolarHBondContact O-CG 3.11Å; T414-L418 PolarHBondContact O-N 2.94Å; E415-L418 PolarHBondContact O-N 3.38Å; E415-L418 VanDerWaalsContact O-N 3.11Å; L418-V421 PolarHBondContact O-N 2.9Å; L418-Q422 WeakPolarHBondContact O-CG 3.4Å; L418-Q422 PolarHBondContact O-N 2.9Å; L418-Q422 VanDerWaalsContact O-N 3.09Å; L418-Q422 PolarHBondContact O-NE2 2.95Å
419L97.6Very high96.3Very high63 Ų6372.4 Ų72.433%0.3334%0.342SS..Hα-helixtrans-62.3-44.6170.8-71.7172.8000111E415 V421 Q422 A423 I438E415-L419 HydrophobicContact CG-CD1 4.26Å; E415-L419 WeakPolarHBondContact O-CG 3.27Å; E415-L419 PolarHBondContact O-N 3.35Å; L419-V421 PolarHBondContact O-N 3.39Å; L419-Q422 PolarHBondContact O-N 3.39Å; L419-A423 VanDerWaalsContact O-CB 3.26Å; L419-A423 WeakPolarHBondContact O-CB 3.28Å; L419-A423 PolarHBondContact O-N 3.25Å; L419-I438 HydrophobicContact CB-CG1 4.33Å
420A97.4Very high96.6Very high0 Ų072.9 Ų72.90%035%0.345CS..Hα-helixtrans-61.2-42.117700000112.8W412 E416 Q417 A423 I424 I438 F449W412-A420 HydrophobicContact CH2-CB 4.37Å; W412-A420 HydrophobicContact CZ3-CB 3.96Å; E416-A420 VanDerWaalsContact O-CB 3.29Å; E416-A420 WeakPolarHBondContact O-CB 3.29Å; E416-A420 PolarHBondContact O-N 2.84Å; Q417-A420 PolarHBondContact O-N 3.39Å; A420-A423 PolarHBondContact O-N 3.39Å; A420-I424 WeakPolarHBondContact O-CB 3.41Å; A420-I424 WeakPolarHBondContact O-CD1 3.43Å; A420-I424 WeakPolarHBondContact O-CG1 3.49Å; A420-I424 PolarHBondContact O-N 3.04Å; A420-I438 HydrophobicContact CB-CD1 3.74Å; A420-F449 HydrophobicContact CB-CD1 3.9Å; A420-F449 HydrophobicContact CB-CE1 3.43Å; A420-F449 VanDerWaalsContact CB-CE1 3.43Å; A420-F449 HydrophobicContact CB-CZ 3.91Å
421V97.7Very high96.8Very high30 Ų3071 Ų7118%0.18233%0.325CS..Hα-helixtrans-64.1-45.4176.6173.90000111.3Q417 L418 L419 A423 I424 R425 F449 F457 L459Q417-V421 WeakPolarHBondContact O-CG2 3.48Å; Q417-V421 PolarHBondContact O-N 3.38Å; L418-V421 PolarHBondContact O-N 2.9Å; L419-V421 PolarHBondContact O-N 3.39Å; V421-A423 PolarHBondContact O-N 2.96Å; V421-I424 PolarHBondContact O-N 3.36Å; V421-R425 PolarHBondContact O-N 3.01Å; V421-F449 HydrophobicContact CG2-CZ 4.38Å; V421-F457 HydrophobicContact CG2-CB 3.7Å; V421-F457 HydrophobicContact CG2-CD1 4.33Å; V421-F457 HydrophobicContact CG2-CD2 3.53Å; V421-F457 HydrophobicContact CG2-CE2 4.2Å; V421-F457 HydrophobicContact CG2-CG 3.62Å; V421-L459 HydrophobicContact CG2-CD2 4.2Å
422Q97Very high96.9Very high122 Ų12265.5 Ų65.557%0.5731%0.313SS*.Hα-helixtrans-63.5-40.1176.3-72.9169.891.500112.2L418 L419 R425 R426L418-Q422 WeakPolarHBondContact O-CG 3.4Å; L418-Q422 PolarHBondContact O-N 2.9Å; L418-Q422 VanDerWaalsContact O-N 3.09Å; L418-Q422 PolarHBondContact O-NE2 2.95Å; L419-Q422 PolarHBondContact O-N 3.39Å; Q422-R425 WeakPolarHBondContact O-CB 3.38Å; Q422-R425 PolarHBondContact O-N 2.91Å; Q422-R426 VanDerWaalsContact O-CG 3.3Å; Q422-R426 WeakPolarHBondContact O-CG 3.46Å; Q422-R426 PolarHBondContact O-N 2.88Å
423A97.6Very high96.9Very high3 Ų364 Ų643%0.02531%0.311CS..Hα-helixtrans-67.4-41.3176.400000111.7L419 A420 V421 R425 R426 Y427 I434 V437L419-A423 VanDerWaalsContact O-CB 3.26Å; L419-A423 WeakPolarHBondContact O-CB 3.28Å; L419-A423 PolarHBondContact O-N 3.25Å; A420-A423 PolarHBondContact O-N 3.39Å; V421-A423 PolarHBondContact O-N 2.96Å; A423-R425 PolarHBondContact O-N 3.1Å; A423-R426 PolarHBondContact O-N 3.29Å; A423-R426 VanDerWaalsContact O-N 3.08Å; A423-Y427 HydrophobicContact CB-CD2 4.2Å; A423-Y427 VanDerWaalsContact O-CD2 3.29Å; A423-Y427 WeakPolarHBondContact O-CD2 3.46Å; A423-Y427 PolarHBondContact O-N 3.11Å; A423-I434 HydrophobicContact CB-CB 4.13Å; A423-I434 HydrophobicContact CB-CG1 3.84Å; A423-I434 HydrophobicContact CB-CG2 3.83Å; A423-V437 HydrophobicContact CB-CB 4.36Å; A423-V437 HydrophobicContact CB-CG1 4.04Å
424I97.1Very high96.9Very high0 Ų061.4 Ų61.40%030%0.295CS..Hα-helixtrans-58.8-36.3171.3-69.1159.8000110.9A420 V421 R426 G428 I434 F449 F450 L459 V462 L463A420-I424 WeakPolarHBondContact O-CB 3.41Å; A420-I424 WeakPolarHBondContact O-CD1 3.43Å; A420-I424 WeakPolarHBondContact O-CG1 3.49Å; A420-I424 PolarHBondContact O-N 3.04Å; V421-I424 PolarHBondContact O-N 3.36Å; I424-R426 VanDerWaalsContact C-N 3.27Å; I424-R426 PolarHBondContact O-N 3.34Å; I424-G428 WeakPolarHBondContact O-CA 3.35Å; I424-G428 PolarHBondContact O-N 3.25Å; I424-I434 HydrophobicContact CG1-CD1 3.74Å; I424-F449 HydrophobicContact CD1-CD1 4.38Å; I424-F449 HydrophobicContact CD1-CE1 4.03Å; I424-F450 HydrophobicContact CD1-CD2 4.05Å; I424-F450 HydrophobicContact CG2-CE2 4.43Å; I424-L459 HydrophobicContact CD1-CD1 4.11Å; I424-L459 HydrophobicContact CD1-CD2 4.06Å; I424-V462 HydrophobicContact CB-CG1 4.42Å; I424-V462 HydrophobicContact CG2-CG1 3.87Å; I424-L463 HydrophobicContact CG2-CD2 3.97Å; I424-L463 HydrophobicContact CG2-CG 4.25Å
425R96.3Very high96.9Very high56 Ų5656.8 Ų56.821%0.21127%0.267CS..Hα-helixtrans-69.6-19177.3-170.849.1-175.372.72114.5V421 Q422 A423 V462 E465 E469V421-R425 PolarHBondContact O-N 3.01Å; Q422-R425 WeakPolarHBondContact O-CB 3.38Å; Q422-R425 PolarHBondContact O-N 2.91Å; A423-R425 PolarHBondContact O-N 3.1Å; R425-V462 HydrophobicContact CB-CG1 3.6Å; R425-V462 WeakPolarHBondContact CD-O 2.96Å; R425-V462 HydrophobicContact CG-CG1 4.17Å; R425-E465 IonicContact CZ-OE2 3.89Å; R425-E465 VanDerWaalsContact CZ-OE2 3.29Å; R425-E465 IonicContact NE-OE2 3.35Å; R425-E465 PolarHBondContact NE-OE2 3.48Å; R425-E465 IonicContact NH2-OE2 2.68Å; R425-E465 PolarHBondContact NH2-OE2 2.88Å; R425-E469 IonicContact CZ-OE1 3.51Å; R425-E469 VanDerWaalsContact CZ-OE1 3.32Å; R425-E469 IonicContact CZ-OE2 2.74Å; R425-E469 IonicContact NH1-OE1 3.85Å; R425-E469 PolarHBondContact NH1-OE1 3.09Å; R425-E469 VanDerWaalsContact NH1-OE1 3.09Å; R425-E469 IonicContact NH1-OE2 2.95Å; R425-E469 PolarHBondContact NH1-OE2 3.46Å; R425-E469 IonicContact NH2-OE1 2.69Å; R425-E469 PolarHBondContact NH2-OE1 3.26Å; R425-E469 IonicContact NH2-OE2 2.81Å
426R95.4Very high96.7Very high182 Ų18256.7 Ų56.769%0.68727%0.267SS*.Hα-helixtrans-108.1-35.5-176.6-64.2-75.6-78.2-160.9-5.3113.3Q422 A423 I424 W466Q422-R426 VanDerWaalsContact O-CG 3.3Å; Q422-R426 WeakPolarHBondContact O-CG 3.46Å; Q422-R426 PolarHBondContact O-N 2.88Å; A423-R426 PolarHBondContact O-N 3.29Å; A423-R426 VanDerWaalsContact O-N 3.08Å; I424-R426 VanDerWaalsContact C-N 3.27Å; I424-R426 PolarHBondContact O-N 3.34Å; R426-W466 PolarHBondContact O-NE1 2.82Å
427Y96.4Very high96.6Very high105 Ų10559.1 Ų59.141%0.41228%0.282SS..Hα-helixtrans-116.42-174.7-53.2-77.8000113.2A423 K429 D430 A433 V437A423-Y427 HydrophobicContact CB-CD2 4.2Å; A423-Y427 VanDerWaalsContact O-CD2 3.29Å; A423-Y427 WeakPolarHBondContact O-CD2 3.46Å; A423-Y427 PolarHBondContact O-N 3.11Å; Y427-K429 PolarHBondContact O-N 2.95Å; Y427-D430 PolarHBondContact O-N 3.2Å; Y427-A433 HydrophobicContact CD1-CB 3.93Å; Y427-A433 HydrophobicContact CE1-CB 4.43Å; Y427-A433 HydrophobicContact CG-CB 4Å; Y427-V437 HydrophobicContact CE2-CG2 3.84Å
428G95.6Very high96.5Very high0 Ų058.5 Ų58.50%028%0.28CS..THydrogen-bonded Turntrans64.1-104.7175.600000112.9I424 L463I424-G428 WeakPolarHBondContact O-CA 3.35Å; I424-G428 PolarHBondContact O-N 3.25Å; G428-L463 VanDerWaalsContact C-CD2 3.49Å; G428-L463 WeakPolarHBondContact O-CD2 3.48Å
429K96.4Very high96.4Very high126 Ų12655.1 Ų55.155%0.54827%0.268SS..THydrogen-bonded Turntrans-113.814.1179.2-64.3-174.1-176.2174.90113.7Y427 F431 L463Y427-K429 PolarHBondContact O-N 2.95Å; K429-F431 VanDerWaalsContact C-N 3.27Å; K429-F431 HydrophobicContact CB-CE1 4.48Å; K429-F431 HydrophobicContact CB-CZ 4.36Å; K429-F431 PolarHBondContact O-N 3.21Å; K429-L463 HydrophobicContact CD-CD1 4.38Å; K429-L463 HydrophobicContact CG-CD1 4.13Å; K429-L463 HydrophobicContact CG-CD2 3.94Å
430D97Very high96.3Very high80 Ų8054 Ų5443%0.42826%0.263SS..  trans-72.386.4170.5-166.4-28.5000110.3Y427 T432 A433 I434Y427-D430 PolarHBondContact O-N 3.2Å; D430-T432 PolarHBondContact O-N 3.08Å; D430-T432 VanDerWaalsContact O-N 3.14Å; D430-T432 WeakPolarHBondContact OD1-CA 3.17Å; D430-T432 VanDerWaalsContact OD1-CB 3.25Å; D430-T432 WeakPolarHBondContact OD1-CB 3.27Å; D430-T432 PolarHBondContact OD1-N 3.2Å; D430-A433 HydrophobicContact CB-CB 4.11Å; D430-A433 PolarHBondContact O-N 3.28Å; D430-A433 PolarHBondContact OD1-N 3.43Å; D430-I434 WeakPolarHBondContact O-CB 3.45Å; D430-I434 VanDerWaalsContact O-CD1 3.28Å; D430-I434 WeakPolarHBondContact O-CD1 3.49Å; D430-I434 WeakPolarHBondContact O-CG1 3.37Å; D430-I434 PolarHBondContact O-N 3.37Å
431F97.6Very high96.2Very high50 Ų5054.1 Ų54.122%0.21926%0.264CS..Hα-helixtrans-65.6-10.7178.5-54.3-46.2000113.3K429 I434 A435 P443 V446 F450K429-F431 VanDerWaalsContact C-N 3.27Å; K429-F431 HydrophobicContact CB-CE1 4.48Å; K429-F431 HydrophobicContact CB-CZ 4.36Å; K429-F431 PolarHBondContact O-N 3.21Å; F431-I434 HydrophobicContact CD1-CD1 4.34Å; F431-A435 WeakPolarHBondContact O-CB 3.46Å; F431-A435 PolarHBondContact O-N 2.88Å; F431-P443 HydrophobicContact CB-CB 4.05Å; F431-P443 WeakPolarHBondContact O-CA 3.42Å; F431-P443 WeakPolarHBondContact O-CB 3.26Å; F431-V446 HydrophobicContact CB-CB 4.39Å; F431-V446 HydrophobicContact CB-CG1 4.26Å; F431-V446 HydrophobicContact CD1-CG1 3.74Å; F431-V446 HydrophobicContact CG-CG1 4.39Å; F431-F450 HydrophobicContact CE1-CB 4.16Å; F431-F450 HydrophobicContact CE1-CG 4.28Å
432T97.3Very high96.1Very high74 Ų7454.8 Ų54.845%0.45427%0.268SS..Hα-helixtrans-82-56.3173.8-46.50000109.7D430 I434 A435 E436D430-T432 PolarHBondContact O-N 3.08Å; D430-T432 VanDerWaalsContact O-N 3.14Å; D430-T432 WeakPolarHBondContact OD1-CA 3.17Å; D430-T432 VanDerWaalsContact OD1-CB 3.25Å; D430-T432 WeakPolarHBondContact OD1-CB 3.27Å; D430-T432 PolarHBondContact OD1-N 3.2Å; T432-I434 VanDerWaalsContact C-N 3.27Å; T432-I434 PolarHBondContact O-N 3.35Å; T432-A435 WeakPolarHBondContact O-CA 3.4Å; T432-A435 WeakPolarHBondContact O-CB 3.16Å; T432-A435 PolarHBondContact O-N 3.3Å; T432-E436 WeakPolarHBondContact O-CG 3.49Å; T432-E436 PolarHBondContact O-N 3.32Å
433A96.8Very high96.1Very high16 Ų1651.3 Ų51.313%0.13226%0.256CS..Hα-helixtrans-58.4-38.9175.400000112.1Y427 D430 E436 V437Y427-A433 HydrophobicContact CD1-CB 3.93Å; Y427-A433 HydrophobicContact CE1-CB 4.43Å; Y427-A433 HydrophobicContact CG-CB 4Å; D430-A433 HydrophobicContact CB-CB 4.11Å; D430-A433 PolarHBondContact O-N 3.28Å; D430-A433 PolarHBondContact OD1-N 3.43Å; A433-E436 PolarHBondContact O-N 3.42Å; A433-V437 VanDerWaalsContact O-CG2 3.29Å; A433-V437 WeakPolarHBondContact O-CG2 3.44Å; A433-V437 PolarHBondContact O-N 3.15Å
434I96.9Very high96.1Very high0 Ų055.3 Ų55.30%028%0.282CS..Hα-helixtrans-66-37174.8-63.4160.1000111.5A423 I424 D430 F431 T432 I438 V446A423-I434 HydrophobicContact CB-CB 4.13Å; A423-I434 HydrophobicContact CB-CG1 3.84Å; A423-I434 HydrophobicContact CB-CG2 3.83Å; I424-I434 HydrophobicContact CG1-CD1 3.74Å; D430-I434 WeakPolarHBondContact O-CB 3.45Å; D430-I434 VanDerWaalsContact O-CD1 3.28Å; D430-I434 WeakPolarHBondContact O-CD1 3.49Å; D430-I434 WeakPolarHBondContact O-CG1 3.37Å; D430-I434 PolarHBondContact O-N 3.37Å; F431-I434 HydrophobicContact CD1-CD1 4.34Å; T432-I434 VanDerWaalsContact C-N 3.27Å; T432-I434 PolarHBondContact O-N 3.35Å; I434-I438 HydrophobicContact CG2-CD1 3.85Å; I434-I438 VanDerWaalsContact O-CD1 3.26Å; I434-I438 WeakPolarHBondContact O-CD1 3.37Å; I434-I438 VanDerWaalsContact O-CG1 3.25Å; I434-I438 WeakPolarHBondContact O-CG1 3.38Å; I434-I438 PolarHBondContact O-N 3.09Å; I434-V446 HydrophobicContact CB-CG1 3.92Å; I434-V446 HydrophobicContact CD1-CG1 4.45Å; I434-V446 HydrophobicContact CG2-CB 4.42Å; I434-V446 HydrophobicContact CG2-CG1 3.38Å; I434-V446 HydrophobicContact CG2-CG2 4.12Å
435A95.8Very high96.1Very high7 Ų757.2 Ų57.26%0.05829%0.291CS..Hα-helixtrans-67.5-41.3176.400000111.8F431 T432 I438 G439 K441 P443 V446F431-A435 WeakPolarHBondContact O-CB 3.46Å; F431-A435 PolarHBondContact O-N 2.88Å; T432-A435 WeakPolarHBondContact O-CA 3.4Å; T432-A435 WeakPolarHBondContact O-CB 3.16Å; T432-A435 PolarHBondContact O-N 3.3Å; A435-I438 PolarHBondContact O-N 2.97Å; A435-G439 PolarHBondContact O-N 3.48Å; A435-K441 WeakPolarHBondContact CB-O 3.31Å; A435-P443 HydrophobicContact CB-CG 3.9Å; A435-V446 HydrophobicContact CB-CG2 4.02Å
436E94.4Very high96.1Very high140 Ų14054.5 Ų54.565%0.65428%0.281SS*.Hα-helixtrans-61.8-45.2175.6-70.6165.7-172.300111.9T432 A433 I438 G439T432-E436 WeakPolarHBondContact O-CG 3.49Å; T432-E436 PolarHBondContact O-N 3.32Å; A433-E436 PolarHBondContact O-N 3.42Å; E436-I438 VanDerWaalsContact C-N 3.27Å; E436-I438 PolarHBondContact O-N 2.92Å; E436-G439 PolarHBondContact O-N 3.49Å; E436-G439 VanDerWaalsContact O-N 3.09Å
437V94.7Very high96.2Very high66 Ų6648 Ų4840%0.426%0.263SS..Hα-helixtrans-62.6-30.3177.1168.60000113.1A423 Y427 A433A423-V437 HydrophobicContact CB-CB 4.36Å; A423-V437 HydrophobicContact CB-CG1 4.04Å; Y427-V437 HydrophobicContact CE2-CG2 3.84Å; A433-V437 VanDerWaalsContact O-CG2 3.29Å; A433-V437 WeakPolarHBondContact O-CG2 3.44Å; A433-V437 PolarHBondContact O-N 3.15Å
438I95.2Very high96.3Very high14 Ų1446.3 Ų46.37%0.07227%0.266CS..Hα-helixtrans-85.7-27.8174.8-57.7158.9000111.1W412 E416 L419 A420 I434 A435 E436 T440 K441 V446W412-I438 HydrophobicContact CH2-CD1 3.98Å; W412-I438 HydrophobicContact CZ3-CD1 4.03Å; E416-I438 HydrophobicContact CB-CG2 4.2Å; E416-I438 HydrophobicContact CG-CG2 4.1Å; L419-I438 HydrophobicContact CB-CG1 4.33Å; A420-I438 HydrophobicContact CB-CD1 3.74Å; I434-I438 HydrophobicContact CG2-CD1 3.85Å; I434-I438 VanDerWaalsContact O-CD1 3.26Å; I434-I438 WeakPolarHBondContact O-CD1 3.37Å; I434-I438 VanDerWaalsContact O-CG1 3.25Å; I434-I438 WeakPolarHBondContact O-CG1 3.38Å; I434-I438 PolarHBondContact O-N 3.09Å; A435-I438 PolarHBondContact O-N 2.97Å; E436-I438 VanDerWaalsContact C-N 3.27Å; E436-I438 PolarHBondContact O-N 2.92Å; I438-T440 PolarHBondContact O-N 2.8Å; I438-K441 HydrophobicContact CB-CB 4.44Å; I438-K441 HydrophobicContact CB-CG 4.36Å; I438-K441 HydrophobicContact CG2-CB 4.13Å; I438-K441 HydrophobicContact CG2-CG 3.55Å; I438-V446 HydrophobicContact CD1-CG2 4.08Å
439G93.4Very high96.4Very high24 Ų2446.4 Ų46.425%0.24727%0.267CS..SBendtrans68.7-47.2-177.400000114.7P406 M408 A435 E436 K441P406-G439 VanDerWaalsContact CB-O 3.26Å; P406-G439 WeakPolarHBondContact CB-O 3.44Å; M408-G439 VanDerWaalsContact CE-O 3.26Å; M408-G439 WeakPolarHBondContact CE-O 3.44Å; A435-G439 PolarHBondContact O-N 3.48Å; E436-G439 PolarHBondContact O-N 3.49Å; E436-G439 VanDerWaalsContact O-N 3.09Å; G439-K441 VanDerWaalsContact C-N 3.31Å; G439-K441 PolarHBondContact O-N 2.83Å
440T95.5Very high96.4Very high38 Ų3841.2 Ų41.223%0.23324%0.244CC..SBendtrans-82.3-1.9-173.172.40000114.3M408 N409 E416 I438M408-T440 WeakPolarHBondContact CA-O 3.41Å; N409-T440 PolarHBondContact N-O 3.46Å; E416-T440 PolarHBondContact OE1-OG1 2.82Å; I438-T440 PolarHBondContact O-N 2.8Å
441K96Very high96.4Very high4 Ų442.1 Ų42.12%0.01725%0.253CS..  trans-122.4149.5-171.6-61.5-69.2176.7-79.10111.4N409 R411 W412 E416 A435 I438 G439 Q445 V446N409-K441 WeakPolarHBondContact O-CD 3.38Å; N409-K441 VanDerWaalsContact O-CE 3.32Å; N409-K441 WeakPolarHBondContact O-CE 3.41Å; N409-K441 PolarHBondContact O-NZ 2.99Å; R411-K441 WeakPolarHBondContact O-CE 3.21Å; R411-K441 PolarHBondContact O-NZ 2.79Å; W412-K441 HydrophobicContact CD2-CD 4.16Å; W412-K441 VanDerWaalsContact CD2-CE 3.47Å; W412-K441 HydrophobicContact CE3-CD 4.36Å; W412-K441 HydrophobicContact CH2-CB 4.29Å; W412-K441 HydrophobicContact CH2-CD 3.89Å; W412-K441 HydrophobicContact CH2-CG 3.66Å; W412-K441 HydrophobicContact CZ2-CB 4.49Å; W412-K441 HydrophobicContact CZ2-CD 3.63Å; W412-K441 HydrophobicContact CZ2-CG 3.91Å; W412-K441 HydrophobicContact CZ3-CD 4.24Å; W412-K441 HydrophobicContact CZ3-CG 3.98Å; E416-K441 IonicContact OE1-NZ 2.67Å; E416-K441 PolarHBondContact OE1-NZ 2.99Å; E416-K441 WeakPolarHBondContact OE2-CE 3.46Å; E416-K441 IonicContact OE2-NZ 2.98Å; E416-K441 PolarHBondContact OE2-NZ 3.19Å; A435-K441 WeakPolarHBondContact CB-O 3.31Å; I438-K441 HydrophobicContact CB-CB 4.44Å; I438-K441 HydrophobicContact CB-CG 4.36Å; I438-K441 HydrophobicContact CG2-CB 4.13Å; I438-K441 HydrophobicContact CG2-CG 3.55Å; G439-K441 VanDerWaalsContact C-N 3.31Å; G439-K441 PolarHBondContact O-N 2.83Å; K441-Q445 HydrophobicContact CD-CB 4.48Å; K441-V446 HydrophobicContact CB-CG2 4.22Å
442T95.9Very high96.3Very high44 Ų4443.2 Ų43.227%0.2727%0.267SS..  trans-93.5156.4172.7590000111.6M408 P444 Q445 V446M408-T442 HydrophobicContact CE-CG2 4.27Å; M408-T442 HydrophobicContact SD-CG2 3.36Å; M408-T442 WeakPolarHBondContact SD-CG2 3.42Å; T442-P444 VanDerWaalsContact C-N 3.34Å; T442-Q445 WeakPolarHBondContact O-CA 3.47Å; T442-Q445 WeakPolarHBondContact O-CB 3.49Å; T442-Q445 PolarHBondContact O-N 3.22Å; T442-Q445 VanDerWaalsContact OG1-CD 3.29Å; T442-Q445 WeakPolarHBondContact OG1-CG 3.48Å; T442-Q445 PolarHBondContact OG1-OE1 3.42Å; T442-V446 PolarHBondContact O-N 3.4Å
443P96.9Very high96.3Very high48 Ų4841.5 Ų41.531%0.31225%0.252SS..Hα-helixtrans-54.5-37.9176.7-24.933.6000114.8F431 A435 Q445 V446 S447F431-P443 HydrophobicContact CB-CB 4.05Å; F431-P443 WeakPolarHBondContact O-CA 3.42Å; F431-P443 WeakPolarHBondContact O-CB 3.26Å; A435-P443 HydrophobicContact CB-CG 3.9Å; P443-Q445 PolarHBondContact O-N 2.88Å; P443-V446 PolarHBondContact O-N 3.19Å; P443-S447 WeakPolarHBondContact O-CB 3.47Å; P443-S447 PolarHBondContact O-N 2.98Å
444P97.3Very high96.2Very high88 Ų8845.2 Ų45.257%0.57126%0.263SS*.Hα-helixtrans-65.6-31.4172.1-24.236.5000114.4T442 S448T442-P444 VanDerWaalsContact C-N 3.34Å; P444-S448 WeakPolarHBondContact O-CB 3.37Å; P444-S448 PolarHBondContact O-N 2.85Å; P444-S448 PolarHBondContact O-OG 3.21Å
445Q96.6Very high96.2Very high39 Ų3956.6 Ų56.618%0.18231%0.306CS..Hα-helixtrans-71.8-39173.2-73.7165.3-43.300111S410 W412 K441 T442 P443 S448 F449S410-Q445 PolarHBondContact OG-NE2 3.09Å; W412-Q445 HydrophobicContact CZ2-CB 4.47Å; K441-Q445 HydrophobicContact CD-CB 4.48Å; T442-Q445 WeakPolarHBondContact O-CA 3.47Å; T442-Q445 WeakPolarHBondContact O-CB 3.49Å; T442-Q445 PolarHBondContact O-N 3.22Å; T442-Q445 VanDerWaalsContact OG1-CD 3.29Å; T442-Q445 WeakPolarHBondContact OG1-CG 3.48Å; T442-Q445 PolarHBondContact OG1-OE1 3.42Å; P443-Q445 PolarHBondContact O-N 2.88Å; Q445-S448 WeakPolarHBondContact O-CB 3.48Å; Q445-S448 PolarHBondContact O-N 2.92Å; Q445-F449 WeakPolarHBondContact O-CB 3.4Å; Q445-F449 PolarHBondContact O-N 3.06Å
446V97.6Very high96.2Very high0 Ų063.4 Ų63.40%033%0.33CS..Hα-helixtrans-62.8-45.1173.11770000111.1W412 F431 I434 A435 I438 K441 T442 P443 S448 F449 F450W412-V446 HydrophobicContact CH2-CG2 4.45Å; F431-V446 HydrophobicContact CB-CB 4.39Å; F431-V446 HydrophobicContact CB-CG1 4.26Å; F431-V446 HydrophobicContact CD1-CG1 3.74Å; F431-V446 HydrophobicContact CG-CG1 4.39Å; I434-V446 HydrophobicContact CB-CG1 3.92Å; I434-V446 HydrophobicContact CD1-CG1 4.45Å; I434-V446 HydrophobicContact CG2-CB 4.42Å; I434-V446 HydrophobicContact CG2-CG1 3.38Å; I434-V446 HydrophobicContact CG2-CG2 4.12Å; A435-V446 HydrophobicContact CB-CG2 4.02Å; I438-V446 HydrophobicContact CD1-CG2 4.08Å; K441-V446 HydrophobicContact CB-CG2 4.22Å; T442-V446 PolarHBondContact O-N 3.4Å; P443-V446 PolarHBondContact O-N 3.19Å; V446-S448 PolarHBondContact O-N 3.39Å; V446-F449 WeakPolarHBondContact O-CB 3.27Å; V446-F449 PolarHBondContact O-N 3.16Å; V446-F450 PolarHBondContact O-N 3.01Å
447S97.6Very high96.3Very high45 Ų4559.7 Ų59.732%0.31531%0.312SS..Hα-helixtrans-60.8-43.1174.9-176.90000111.9P443 F449 F450 V451P443-S447 WeakPolarHBondContact O-CB 3.47Å; P443-S447 PolarHBondContact O-N 2.98Å; S447-F449 VanDerWaalsContact C-N 3.34Å; S447-F449 PolarHBondContact O-N 3.11Å; S447-F450 PolarHBondContact O-N 2.89Å; S447-V451 PolarHBondContact O-N 3.2Å
448S97.4Very high96.3Very high69 Ų6961.8 Ų61.848%0.48332%0.321SS..Hα-helixtrans-61.5-39.1173.1-60.70000112.8P444 Q445 V446 S452P444-S448 WeakPolarHBondContact O-CB 3.37Å; P444-S448 PolarHBondContact O-N 2.85Å; P444-S448 PolarHBondContact O-OG 3.21Å; Q445-S448 WeakPolarHBondContact O-CB 3.48Å; Q445-S448 PolarHBondContact O-N 2.92Å; V446-S448 PolarHBondContact O-N 3.39Å; S448-S452 VanDerWaalsContact O-CB 3.24Å; S448-S452 WeakPolarHBondContact O-CB 3.25Å; S448-S452 PolarHBondContact O-N 2.89Å; S448-S452 PolarHBondContact O-OG 3.32Å
449F97.2Very high96.4Very high3 Ų361.1 Ų61.11%0.01332%0.317CS..Hα-helixtrans-64.3-47.1173.5167.6-94.6000111.4W412 Q417 A420 V421 I424 Q445 V446 S447 V451 S452 Y453 F457W412-F449 HydrophobicContact CD2-CD2 4.09Å; W412-F449 HydrophobicContact CE3-CD2 4.14Å; W412-F449 HydrophobicContact CH2-CB 3.88Å; W412-F449 HydrophobicContact CH2-CD1 4.4Å; W412-F449 HydrophobicContact CH2-CD2 4.31Å; W412-F449 AromaticContact CH2-CG 3.94Å; W412-F449 HydrophobicContact CH2-CG 3.94Å; W412-F449 HydrophobicContact CZ2-CB 3.44Å; W412-F449 VanDerWaalsContact CZ2-CB 3.44Å; W412-F449 HydrophobicContact CZ2-CD2 4.28Å; W412-F449 AromaticContact CZ2-CG 3.95Å; W412-F449 HydrophobicContact CZ2-CG 3.95Å; W412-F449 HydrophobicContact CZ3-CD2 4.25Å; W412-F449 HydrophobicContact CZ3-CG 4.27Å; Q417-F449 HydrophobicContact CB-CE2 4.13Å; Q417-F449 HydrophobicContact CB-CZ 4.36Å; Q417-F449 HydrophobicContact CG-CE2 3.8Å; A420-F449 HydrophobicContact CB-CD1 3.9Å; A420-F449 HydrophobicContact CB-CE1 3.43Å; A420-F449 VanDerWaalsContact CB-CE1 3.43Å; A420-F449 HydrophobicContact CB-CZ 3.91Å; V421-F449 HydrophobicContact CG2-CZ 4.38Å; I424-F449 HydrophobicContact CD1-CD1 4.38Å; I424-F449 HydrophobicContact CD1-CE1 4.03Å; Q445-F449 WeakPolarHBondContact O-CB 3.4Å; Q445-F449 PolarHBondContact O-N 3.06Å; V446-F449 WeakPolarHBondContact O-CB 3.27Å; V446-F449 PolarHBondContact O-N 3.16Å; S447-F449 VanDerWaalsContact C-N 3.34Å; S447-F449 PolarHBondContact O-N 3.11Å; F449-V451 VanDerWaalsContact C-N 3.26Å; F449-V451 PolarHBondContact O-N 3.32Å; F449-S452 PolarHBondContact O-N 3.46Å; F449-S452 VanDerWaalsContact O-N 3.08Å; F449-Y453 HydrophobicContact CD2-CD1 4.35Å; F449-Y453 AromaticContact CD2-CD2 3.19Å; F449-Y453 HydrophobicContact CD2-CD2 3.19Å; F449-Y453 AromaticContact CD2-CE2 3.53Å; F449-Y453 HydrophobicContact CD2-CE2 3.53Å; F449-Y453 AromaticContact CD2-CG 3.65Å; F449-Y453 HydrophobicContact CD2-CG 3.65Å; F449-Y453 AromaticContact CE2-CD1 3.73Å; F449-Y453 HydrophobicContact CE2-CD1 3.73Å; F449-Y453 AromaticContact CE2-CD2 3.44Å; F449-Y453 HydrophobicContact CE2-CD2 3.44Å; F449-Y453 VanDerWaalsContact CE2-CD2 3.44Å; F449-Y453 HydrophobicContact CE2-CE1 4.1Å; F449-Y453 AromaticContact CE2-CE2 3.86Å; F449-Y453 HydrophobicContact CE2-CE2 3.86Å; F449-Y453 AromaticContact CE2-CG 3.35Å; F449-Y453 HydrophobicContact CE2-CG 3.35Å; F449-Y453 HydrophobicContact CG-CD2 4.05Å; F449-Y453 HydrophobicContact CZ-CD1 4.5Å; F449-Y453 HydrophobicContact CZ-CD2 4.47Å; F449-Y453 HydrophobicContact CZ-CG 4.1Å; F449-Y453 WeakPolarHBondContact O-CB 3.36Å; F449-Y453 WeakPolarHBondContact O-CD2 3.47Å; F449-Y453 PolarHBondContact O-N 2.92Å; F449-F457 HydrophobicContact CE2-CD2 4.32Å; F449-F457 AromaticContact CE2-CE2 3.93Å; F449-F457 HydrophobicContact CE2-CE2 3.93Å; F449-F457 AromaticContact CZ-CD2 3.79Å; F449-F457 HydrophobicContact CZ-CD2 3.79Å; F449-F457 AromaticContact CZ-CE2 3.75Å; F449-F457 HydrophobicContact CZ-CE2 3.75Å
450F96.9Very high96.5Very high16 Ų1663.3 Ų63.37%0.0732%0.323CS..Hα-helixtrans-54.3-42.2178.6-179.5-88.1000112I424 F431 V446 S447 R454 L459 L463I424-F450 HydrophobicContact CD1-CD2 4.05Å; I424-F450 HydrophobicContact CG2-CE2 4.43Å; F431-F450 HydrophobicContact CE1-CB 4.16Å; F431-F450 HydrophobicContact CE1-CG 4.28Å; V446-F450 PolarHBondContact O-N 3.01Å; S447-F450 PolarHBondContact O-N 2.89Å; F450-R454 WeakPolarHBondContact O-CA 3.36Å; F450-R454 WeakPolarHBondContact O-CB 3.44Å; F450-R454 PolarHBondContact O-N 2.75Å; F450-L459 HydrophobicContact CD2-CB 4.36Å; F450-L459 HydrophobicContact CD2-CD1 3.78Å; F450-L459 HydrophobicContact CE2-CB 3.83Å; F450-L459 HydrophobicContact CE2-CD1 4.11Å; F450-L459 HydrophobicContact CG-CD1 4.33Å; F450-L459 HydrophobicContact CZ-CB 4.36Å; F450-L463 HydrophobicContact CE2-CD1 3.57Å; F450-L463 HydrophobicContact CE2-CG 4.15Å; F450-L463 HydrophobicContact CZ-CD1 3.43Å; F450-L463 VanDerWaalsContact CZ-CD1 3.43Å; F450-L463 HydrophobicContact CZ-CG 4.45Å
451V96.9Very high96.6Very high99 Ų9965.4 Ų65.460%0.633%0.33SS*.Hα-helixtrans-70.4-48.8173.9179.50000111.6S447 F449 Y453 R454S447-V451 PolarHBondContact O-N 3.2Å; F449-V451 VanDerWaalsContact C-N 3.26Å; F449-V451 PolarHBondContact O-N 3.32Å; V451-Y453 VanDerWaalsContact C-N 3.29Å; V451-Y453 PolarHBondContact O-N 3.43Å; V451-R454 WeakPolarHBondContact O-CB 3.48Å; V451-R454 PolarHBondContact O-N 3.4Å
452S96.6Very high96.6Very high74 Ų7466 Ų6652%0.51734%0.335SS..Hα-helixtrans-71.6-18.7-172.1-55.50000114.5S448 F449 R456S448-S452 VanDerWaalsContact O-CB 3.24Å; S448-S452 WeakPolarHBondContact O-CB 3.25Å; S448-S452 PolarHBondContact O-N 2.89Å; S448-S452 PolarHBondContact O-OG 3.32Å; F449-S452 PolarHBondContact O-N 3.46Å; F449-S452 VanDerWaalsContact O-N 3.08Å; S452-R456 PolarHBondContact O-NH2 3.34Å
453Y95.9Very high96.6Very high37 Ų3764.9 Ų64.915%0.14533%0.327CS..Hα-helixtrans-118.50.1-178.8-70.1-103.3000113.4Q417 F449 V451 R455 R456 F457Q417-Y453 HydrophobicContact CG-CE1 4.49Å; F449-Y453 HydrophobicContact CD2-CD1 4.35Å; F449-Y453 AromaticContact CD2-CD2 3.19Å; F449-Y453 HydrophobicContact CD2-CD2 3.19Å; F449-Y453 AromaticContact CD2-CE2 3.53Å; F449-Y453 HydrophobicContact CD2-CE2 3.53Å; F449-Y453 AromaticContact CD2-CG 3.65Å; F449-Y453 HydrophobicContact CD2-CG 3.65Å; F449-Y453 AromaticContact CE2-CD1 3.73Å; F449-Y453 HydrophobicContact CE2-CD1 3.73Å; F449-Y453 AromaticContact CE2-CD2 3.44Å; F449-Y453 HydrophobicContact CE2-CD2 3.44Å; F449-Y453 VanDerWaalsContact CE2-CD2 3.44Å; F449-Y453 HydrophobicContact CE2-CE1 4.1Å; F449-Y453 AromaticContact CE2-CE2 3.86Å; F449-Y453 HydrophobicContact CE2-CE2 3.86Å; F449-Y453 AromaticContact CE2-CG 3.35Å; F449-Y453 HydrophobicContact CE2-CG 3.35Å; F449-Y453 HydrophobicContact CG-CD2 4.05Å; F449-Y453 HydrophobicContact CZ-CD1 4.5Å; F449-Y453 HydrophobicContact CZ-CD2 4.47Å; F449-Y453 HydrophobicContact CZ-CG 4.1Å; F449-Y453 WeakPolarHBondContact O-CB 3.36Å; F449-Y453 WeakPolarHBondContact O-CD2 3.47Å; F449-Y453 PolarHBondContact O-N 2.92Å; V451-Y453 VanDerWaalsContact C-N 3.29Å; V451-Y453 PolarHBondContact O-N 3.43Å; Y453-R455 VanDerWaalsContact C-N 3.31Å; Y453-R455 PolarHBondContact O-N 3.5Å; Y453-R455 VanDerWaalsContact O-N 3.09Å; Y453-R456 VanDerWaalsContact CE1-NH2 3.31Å; Y453-R456 VanDerWaalsContact CZ-NH2 3.35Å; Y453-R456 PolarHBondContact O-N 3.14Å; Y453-F457 AromaticContact CD1-CD2 3.93Å; Y453-F457 HydrophobicContact CD1-CD2 3.93Å; Y453-F457 AromaticContact CD1-CE2 3.38Å; Y453-F457 HydrophobicContact CD1-CE2 3.38Å; Y453-F457 HydrophobicContact CD1-CZ 4.12Å; Y453-F457 HydrophobicContact CE1-CE2 4.07Å; Y453-F457 HydrophobicContact CG-CD2 4.29Å; Y453-F457 HydrophobicContact CG-CE2 4.09Å; Y453-F457 PolarHBondContact O-N 3.49Å; Y453-F457 VanDerWaalsContact O-N 3.12Å
454R95.9Very high96.6Very high95 Ų9569.1 Ų69.136%0.35834%0.336SS..THydrogen-bonded Turntrans-37-52.6178.6-167.3162.4170.764.76.2114.9F450 V451 N458 L459 D460F450-R454 WeakPolarHBondContact O-CA 3.36Å; F450-R454 WeakPolarHBondContact O-CB 3.44Å; F450-R454 PolarHBondContact O-N 2.75Å; V451-R454 WeakPolarHBondContact O-CB 3.48Å; V451-R454 PolarHBondContact O-N 3.4Å; R454-N458 PolarHBondContact O-N 2.82Å; R454-L459 PolarHBondContact O-N 3.35Å; R454-D460 IonicContact CZ-OD1 3.64Å; R454-D460 IonicContact CZ-OD2 3.64Å; R454-D460 IonicContact NE-OD2 2.66Å; R454-D460 PolarHBondContact NE-OD2 3.11Å; R454-D460 IonicContact NH1-OD1 3.17Å; R454-D460 PolarHBondContact NH1-OD1 2.86Å; R454-D460 IonicContact NH1-OD2 2.65Å; R454-D460 PolarHBondContact NH1-OD2 3.14Å; R454-D460 VanDerWaalsContact NH1-OD2 3.1Å; R454-D460 IonicContact NH2-OD1 2.93Å; R454-D460 PolarHBondContact NH2-OD1 3.39Å; R454-D460 IonicContact NH2-OD2 2.66Å; R454-D460 PolarHBondContact NH2-OD2 3.38Å
455R96.9Very high96.4Very high239 Ų23968.9 Ų68.990%0.90233%0.328SS*.THydrogen-bonded Turntrans-85-16.3180-64.3-172.6-176.6-178.91.2114.9Y453Y453-R455 VanDerWaalsContact C-N 3.31Å; Y453-R455 PolarHBondContact O-N 3.5Å; Y453-R455 VanDerWaalsContact O-N 3.09Å
456R95.1Very high96.4Very high150 Ų15070.2 Ų70.257%0.56633%0.331SS*.THydrogen-bonded Turntrans-89.5-26.9-175.4-74.7-173.5-76.9163.3-3.7113.3S452 Y453S452-R456 PolarHBondContact O-NH2 3.34Å; Y453-R456 VanDerWaalsContact CE1-NH2 3.31Å; Y453-R456 VanDerWaalsContact CZ-NH2 3.35Å; Y453-R456 PolarHBondContact O-N 3.14Å
457F96.1Very high96.2Very high61 Ų6172.3 Ų72.327%0.26835%0.349SS..THydrogen-bonded Turntrans-120.823.3174.9-58.7-50.3000112.2Q417 V421 F449 Y453 L459Q417-F457 HydrophobicContact CB-CE2 4.06Å; Q417-F457 HydrophobicContact CB-CZ 4.16Å; V421-F457 HydrophobicContact CG2-CB 3.7Å; V421-F457 HydrophobicContact CG2-CD1 4.33Å; V421-F457 HydrophobicContact CG2-CD2 3.53Å; V421-F457 HydrophobicContact CG2-CE2 4.2Å; V421-F457 HydrophobicContact CG2-CG 3.62Å; F449-F457 HydrophobicContact CE2-CD2 4.32Å; F449-F457 AromaticContact CE2-CE2 3.93Å; F449-F457 HydrophobicContact CE2-CE2 3.93Å; F449-F457 AromaticContact CZ-CD2 3.79Å; F449-F457 HydrophobicContact CZ-CD2 3.79Å; F449-F457 AromaticContact CZ-CE2 3.75Å; F449-F457 HydrophobicContact CZ-CE2 3.75Å; Y453-F457 AromaticContact CD1-CD2 3.93Å; Y453-F457 HydrophobicContact CD1-CD2 3.93Å; Y453-F457 AromaticContact CD1-CE2 3.38Å; Y453-F457 HydrophobicContact CD1-CE2 3.38Å; Y453-F457 HydrophobicContact CD1-CZ 4.12Å; Y453-F457 HydrophobicContact CE1-CE2 4.07Å; Y453-F457 HydrophobicContact CG-CD2 4.29Å; Y453-F457 HydrophobicContact CG-CE2 4.09Å; Y453-F457 PolarHBondContact O-N 3.49Å; Y453-F457 VanDerWaalsContact O-N 3.12Å; F457-L459 VanDerWaalsContact C-N 3.26Å; F457-L459 HydrophobicContact CB-CD2 3.82Å; F457-L459 HydrophobicContact CB-CG 4.25Å; F457-L459 PolarHBondContact O-N 3.09Å; F457-L459 VanDerWaalsContact O-N 3.07Å
458N96.3Very high96Very high111 Ų11173.1 Ų73.159%0.59436%0.358SS*.THydrogen-bonded Turntrans42.247.4178.2-66.340.8000114R454 D460 E461 V462R454-N458 PolarHBondContact O-N 2.82Å; N458-D460 PolarHBondContact O-N 3.07Å; N458-E461 HydrophobicContact CB-CB 4.4Å; N458-E461 WeakPolarHBondContact O-CB 3.37Å; N458-E461 PolarHBondContact O-N 3.45Å; N458-V462 PolarHBondContact O-N 3.37Å
459L96.3Very high95.7Very high0 Ų073.8 Ų73.80%035%0.353CS..Hα-helixtrans-64.5-14.1-167.5-60.4-179.7000114.1V421 I424 F450 R454 F457 V462 L463V421-L459 HydrophobicContact CG2-CD2 4.2Å; I424-L459 HydrophobicContact CD1-CD1 4.11Å; I424-L459 HydrophobicContact CD1-CD2 4.06Å; F450-L459 HydrophobicContact CD2-CB 4.36Å; F450-L459 HydrophobicContact CD2-CD1 3.78Å; F450-L459 HydrophobicContact CE2-CB 3.83Å; F450-L459 HydrophobicContact CE2-CD1 4.11Å; F450-L459 HydrophobicContact CG-CD1 4.33Å; F450-L459 HydrophobicContact CZ-CB 4.36Å; R454-L459 PolarHBondContact O-N 3.35Å; F457-L459 VanDerWaalsContact C-N 3.26Å; F457-L459 HydrophobicContact CB-CD2 3.82Å; F457-L459 HydrophobicContact CB-CG 4.25Å; F457-L459 PolarHBondContact O-N 3.09Å; F457-L459 VanDerWaalsContact O-N 3.07Å; L459-V462 HydrophobicContact CD2-CG2 4.42Å; L459-L463 WeakPolarHBondContact O-CB 2.96Å; L459-L463 VanDerWaalsContact O-CG 3.28Å; L459-L463 WeakPolarHBondContact O-CG 3.38Å; L459-L463 PolarHBondContact O-N 3.32Å; L459-L463 VanDerWaalsContact O-N 3.12Å
460D96.4Very high95.3Very high69 Ų6978.2 Ų78.237%0.36937%0.374SS..Hα-helixtrans-80.1-14.9171.4-69.1-59.3000114.6R454 N458 R464R454-D460 IonicContact CZ-OD1 3.64Å; R454-D460 IonicContact CZ-OD2 3.64Å; R454-D460 IonicContact NE-OD2 2.66Å; R454-D460 PolarHBondContact NE-OD2 3.11Å; R454-D460 IonicContact NH1-OD1 3.17Å; R454-D460 PolarHBondContact NH1-OD1 2.86Å; R454-D460 IonicContact NH1-OD2 2.65Å; R454-D460 PolarHBondContact NH1-OD2 3.14Å; R454-D460 VanDerWaalsContact NH1-OD2 3.1Å; R454-D460 IonicContact NH2-OD1 2.93Å; R454-D460 PolarHBondContact NH2-OD1 3.39Å; R454-D460 IonicContact NH2-OD2 2.66Å; R454-D460 PolarHBondContact NH2-OD2 3.38Å; N458-D460 PolarHBondContact O-N 3.07Å; D460-R464 PolarHBondContact O-NH2 3.13Å
461E96.6Very high94.9Very high83 Ų8382.5 Ų82.539%0.38840%0.401SS..Hα-helixtrans-81.9-52.9167.3-157.462.7-135.100109N458 L463 R464 E465N458-E461 HydrophobicContact CB-CB 4.4Å; N458-E461 WeakPolarHBondContact O-CB 3.37Å; N458-E461 PolarHBondContact O-N 3.45Å; E461-L463 VanDerWaalsContact C-N 3.26Å; E461-L463 PolarHBondContact O-N 3.11Å; E461-L463 VanDerWaalsContact O-N 3.17Å; E461-R464 VanDerWaalsContact CD-NH2 3.34Å; E461-R464 WeakPolarHBondContact O-CA 3.48Å; E461-R464 WeakPolarHBondContact O-CB 3.02Å; E461-R464 PolarHBondContact O-N 3.12Å; E461-R464 IonicContact OE1-CZ 2.72Å; E461-R464 IonicContact OE1-NH1 3.56Å; E461-R464 PolarHBondContact OE1-NH1 2.85Å; E461-R464 IonicContact OE1-NH2 3.1Å; E461-R464 IonicContact OE2-CZ 3.47Å; E461-R464 VanDerWaalsContact OE2-CZ 3.24Å; E461-R464 IonicContact OE2-NH1 2.69Å; E461-R464 PolarHBondContact OE2-NH1 3.2Å; E461-R464 IonicContact OE2-NH2 2.91Å; E461-R464 PolarHBondContact OE2-NH2 3.25Å; E461-E465 PolarHBondContact O-N 3.24Å
462V96.2Very high94.4Very high17 Ų1780.1 Ų80.110%0.10339%0.392CS..Hα-helixtrans-50.4-43177.7-176.60000112.3I424 R425 N458 L459 W466I424-V462 HydrophobicContact CB-CG1 4.42Å; I424-V462 HydrophobicContact CG2-CG1 3.87Å; R425-V462 HydrophobicContact CB-CG1 3.6Å; R425-V462 WeakPolarHBondContact CD-O 2.96Å; R425-V462 HydrophobicContact CG-CG1 4.17Å; N458-V462 PolarHBondContact O-N 3.37Å; L459-V462 HydrophobicContact CD2-CG2 4.42Å; V462-W466 PolarHBondContact O-N 2.69Å
463L95.6Very high93.6Very high20 Ų2079.5 Ų79.511%0.10539%0.385CS..Hα-helixtrans-73.5-27.6175.9-77.4-179.3000114.6I424 G428 K429 F450 L459 E461 A467I424-L463 HydrophobicContact CG2-CD2 3.97Å; I424-L463 HydrophobicContact CG2-CG 4.25Å; G428-L463 VanDerWaalsContact C-CD2 3.49Å; G428-L463 WeakPolarHBondContact O-CD2 3.48Å; K429-L463 HydrophobicContact CD-CD1 4.38Å; K429-L463 HydrophobicContact CG-CD1 4.13Å; K429-L463 HydrophobicContact CG-CD2 3.94Å; F450-L463 HydrophobicContact CE2-CD1 3.57Å; F450-L463 HydrophobicContact CE2-CG 4.15Å; F450-L463 HydrophobicContact CZ-CD1 3.43Å; F450-L463 VanDerWaalsContact CZ-CD1 3.43Å; F450-L463 HydrophobicContact CZ-CG 4.45Å; L459-L463 WeakPolarHBondContact O-CB 2.96Å; L459-L463 VanDerWaalsContact O-CG 3.28Å; L459-L463 WeakPolarHBondContact O-CG 3.38Å; L459-L463 PolarHBondContact O-N 3.32Å; L459-L463 VanDerWaalsContact O-N 3.12Å; E461-L463 VanDerWaalsContact C-N 3.26Å; E461-L463 PolarHBondContact O-N 3.11Å; E461-L463 VanDerWaalsContact O-N 3.17Å; L463-A467 WeakPolarHBondContact O-CB 3.42Å; L463-A467 PolarHBondContact O-N 3.33Å
464R96.3Very high92.7Very high137 Ų13780.3 Ų80.352%0.51740%0.396SS..Hα-helixtrans-76.2-40.8178.8-163-170.4-43.3124.328.9110.6D460 E461 A467 A468D460-R464 PolarHBondContact O-NH2 3.13Å; E461-R464 VanDerWaalsContact CD-NH2 3.34Å; E461-R464 WeakPolarHBondContact O-CA 3.48Å; E461-R464 WeakPolarHBondContact O-CB 3.02Å; E461-R464 PolarHBondContact O-N 3.12Å; E461-R464 IonicContact OE1-CZ 2.72Å; E461-R464 IonicContact OE1-NH1 3.56Å; E461-R464 PolarHBondContact OE1-NH1 2.85Å; E461-R464 IonicContact OE1-NH2 3.1Å; E461-R464 IonicContact OE2-CZ 3.47Å; E461-R464 VanDerWaalsContact OE2-CZ 3.24Å; E461-R464 IonicContact OE2-NH1 2.69Å; E461-R464 PolarHBondContact OE2-NH1 3.2Å; E461-R464 IonicContact OE2-NH2 2.91Å; E461-R464 PolarHBondContact OE2-NH2 3.25Å; R464-A467 PolarHBondContact O-N 3.27Å; R464-A468 PolarHBondContact O-N 2.62Å
465E94.3Very high91.8Very high83 Ų8384 Ų8439%0.38841%0.41SS..Hα-helixtrans-59-49.1170.2-67.1178.4-142.300111.2R425 E461 A467 A468 E469R425-E465 IonicContact CZ-OE2 3.89Å; R425-E465 VanDerWaalsContact CZ-OE2 3.29Å; R425-E465 IonicContact NE-OE2 3.35Å; R425-E465 PolarHBondContact NE-OE2 3.48Å; R425-E465 IonicContact NH2-OE2 2.68Å; R425-E465 PolarHBondContact NH2-OE2 2.88Å; E461-E465 PolarHBondContact O-N 3.24Å; E465-A467 VanDerWaalsContact C-N 3.33Å; E465-A467 PolarHBondContact O-N 2.61Å; E465-A468 WeakPolarHBondContact O-CB 3.35Å; E465-A468 PolarHBondContact O-N 3.31Å; E465-A468 VanDerWaalsContact O-N 3.14Å; E465-E469 PolarHBondContact O-N 3.1Å
466W95.4Very high90.6Very high66 Ų6677.5 Ų77.525%0.2539%0.393CS..Hα-helixtrans-56.5-46174.1176.680000112R426 V462 A468 E469 Q470R426-W466 PolarHBondContact O-NE1 2.82Å; V462-W466 PolarHBondContact O-N 2.69Å; W466-A468 VanDerWaalsContact C-N 3.3Å; W466-A468 PolarHBondContact O-N 3.27Å; W466-E469 PolarHBondContact O-N 3.3Å; W466-Q470 HydrophobicContact CD2-CG 4.02Å; W466-Q470 HydrophobicContact CE3-CG 4.36Å; W466-Q470 HydrophobicContact CH2-CG 4.06Å; W466-Q470 HydrophobicContact CZ2-CG 3.67Å; W466-Q470 HydrophobicContact CZ3-CG 4.38Å; W466-Q470 WeakPolarHBondContact O-CG 3.46Å; W466-Q470 PolarHBondContact O-N 3.39Å
467A94.3Very high89.3Confident45 Ų4576 Ų7637%0.37239%0.393SS..Hα-helixtrans-63-34.5177.800000112.9L463 R464 E465 V471L463-A467 WeakPolarHBondContact O-CB 3.42Å; L463-A467 PolarHBondContact O-N 3.33Å; R464-A467 PolarHBondContact O-N 3.27Å; E465-A467 VanDerWaalsContact C-N 3.33Å; E465-A467 PolarHBondContact O-N 2.61Å; A467-V471 WeakPolarHBondContact O-CG2 3.26Å; A467-V471 PolarHBondContact O-N 2.82Å
468A93.3Very high88Confident61 Ų6179.4 Ų79.450%0.50441%0.407SS..Hα-helixtrans-68-42.2174.600000112R464 E465 W466 Q470 V471 A472R464-A468 PolarHBondContact O-N 2.62Å; E465-A468 WeakPolarHBondContact O-CB 3.35Å; E465-A468 PolarHBondContact O-N 3.31Å; E465-A468 VanDerWaalsContact O-N 3.14Å; W466-A468 VanDerWaalsContact C-N 3.3Å; W466-A468 PolarHBondContact O-N 3.27Å; A468-Q470 PolarHBondContact O-N 3.12Å; A468-V471 PolarHBondContact O-N 3.38Å; A468-V471 VanDerWaalsContact O-N 3.16Å; A468-A472 PolarHBondContact O-N 2.72Å
469E91.4Very high86.5Confident84 Ų8477.6 Ų77.639%0.39340%0.398SS..Hα-helixtrans-64.2-37.5174.9-75.6176.7-17400112.6R425 E465 W466 V471 A472 T473R425-E469 IonicContact CZ-OE1 3.51Å; R425-E469 VanDerWaalsContact CZ-OE1 3.32Å; R425-E469 IonicContact CZ-OE2 2.74Å; R425-E469 IonicContact NH1-OE1 3.85Å; R425-E469 PolarHBondContact NH1-OE1 3.09Å; R425-E469 VanDerWaalsContact NH1-OE1 3.09Å; R425-E469 IonicContact NH1-OE2 2.95Å; R425-E469 PolarHBondContact NH1-OE2 3.46Å; R425-E469 IonicContact NH2-OE1 2.69Å; R425-E469 PolarHBondContact NH2-OE1 3.26Å; R425-E469 IonicContact NH2-OE2 2.81Å; E465-E469 PolarHBondContact O-N 3.1Å; W466-E469 PolarHBondContact O-N 3.3Å; E469-V471 VanDerWaalsContact C-N 3.27Å; E469-V471 PolarHBondContact O-N 3.31Å; E469-A472 PolarHBondContact O-N 3.36Å; E469-T473 WeakPolarHBondContact O-CB 3.19Å; E469-T473 WeakPolarHBondContact O-CG2 3.41Å; E469-T473 PolarHBondContact O-N 2.87Å; E469-T473 PolarHBondContact O-OG1 3.03Å
470Q88.4Confident85Confident96 Ų9680.6 Ų80.645%0.44942%0.422SS..Hα-helixtrans-64.9-30173.4-66.7-57.1111.500112.7W466 A468 S474W466-Q470 HydrophobicContact CD2-CG 4.02Å; W466-Q470 HydrophobicContact CE3-CG 4.36Å; W466-Q470 HydrophobicContact CH2-CG 4.06Å; W466-Q470 HydrophobicContact CZ2-CG 3.67Å; W466-Q470 HydrophobicContact CZ3-CG 4.38Å; W466-Q470 WeakPolarHBondContact O-CG 3.46Å; W466-Q470 PolarHBondContact O-N 3.39Å; A468-Q470 PolarHBondContact O-N 3.12Å; Q470-S474 WeakPolarHBondContact O-CB 3.37Å; Q470-S474 PolarHBondContact O-N 3.28Å
471V88.6Confident83.4Confident106 Ų10685.6 Ų85.664%0.64244%0.436SS*.Hα-helixtrans-74.8-42.4173.6171.40000111.2A467 A468 E469 S474 R475A467-V471 WeakPolarHBondContact O-CG2 3.26Å; A467-V471 PolarHBondContact O-N 2.82Å; A468-V471 PolarHBondContact O-N 3.38Å; A468-V471 VanDerWaalsContact O-N 3.16Å; E469-V471 VanDerWaalsContact C-N 3.27Å; E469-V471 PolarHBondContact O-N 3.31Å; V471-S474 PolarHBondContact O-N 3.36Å; V471-R475 PolarHBondContact O-N 2.99Å; V471-R475 VanDerWaalsContact O-N 3.17Å
472A85.6Confident81.8Confident49 Ų4989.8 Ų89.841%0.40545%0.448SS..Hα-helixtrans-61.7-56.1176.200000111.6A468 E469 S474 R475 D476A468-A472 PolarHBondContact O-N 2.72Å; E469-A472 PolarHBondContact O-N 3.36Å; A472-S474 PolarHBondContact O-N 3.46Å; A472-S474 VanDerWaalsContact O-N 3.15Å; A472-R475 WeakPolarHBondContact O-CA 3.46Å; A472-R475 VanDerWaalsContact O-CB 3.28Å; A472-R475 WeakPolarHBondContact O-CB 3.41Å; A472-R475 PolarHBondContact O-N 2.91Å; A472-D476 PolarHBondContact O-N 2.89Å
473T81.6Confident79.9Confident60 Ų6091.9 Ų91.937%0.36846%0.464SS..Hα-helixtrans-63.6-23.3-180550000113.9E469 Q477E469-T473 WeakPolarHBondContact O-CB 3.19Å; E469-T473 WeakPolarHBondContact O-CG2 3.41Å; E469-T473 PolarHBondContact O-N 2.87Å; E469-T473 PolarHBondContact O-OG1 3.03Å; T473-Q477 WeakPolarHBondContact O-CB 3.44Å; T473-Q477 WeakPolarHBondContact O-CG 3.27Å; T473-Q477 PolarHBondContact O-N 3.41Å; T473-Q477 PolarHBondContact O-NE2 3.13Å
474S77.1Confident78Confident54 Ų5494.9 Ų94.938%0.37849%0.486SS..Hα-helixtrans-77.5-25.2171-174.70000113.2Q470 V471 A472 K478Q470-S474 WeakPolarHBondContact O-CB 3.37Å; Q470-S474 PolarHBondContact O-N 3.28Å; V471-S474 PolarHBondContact O-N 3.36Å; A472-S474 PolarHBondContact O-N 3.46Å; A472-S474 VanDerWaalsContact O-N 3.15Å; S474-K478 WeakPolarHBondContact O-CG 3.44Å
475R75.6Confident76.1Confident174 Ų17494.8 Ų94.866%0.65749%0.492SS*.Hα-helixtrans-76-50.3172.3-178.5176.1179.6166.8-0.1110.6V471 A472 Q477 K478 D479V471-R475 PolarHBondContact O-N 2.99Å; V471-R475 VanDerWaalsContact O-N 3.17Å; A472-R475 WeakPolarHBondContact O-CA 3.46Å; A472-R475 VanDerWaalsContact O-CB 3.28Å; A472-R475 WeakPolarHBondContact O-CB 3.41Å; A472-R475 PolarHBondContact O-N 2.91Å; R475-Q477 VanDerWaalsContact C-N 3.25Å; R475-Q477 PolarHBondContact O-N 3.32Å; R475-K478 WeakPolarHBondContact O-CA 3.41Å; R475-K478 WeakPolarHBondContact O-CB 3.43Å; R475-K478 PolarHBondContact O-N 2.96Å; R475-D479 WeakPolarHBondContact CG-OD2 3.47Å; R475-D479 IonicContact NE-OD2 3.24Å; R475-D479 PolarHBondContact O-N 3.4Å
476D71.5Confident74.2Confident101 Ų10198 Ų9854%0.5451%0.507SS..Hα-helixtrans-56.5-39.9179.4-55.8-36.9000111.7A472 K478 D479 A480A472-D476 PolarHBondContact O-N 2.89Å; D476-K478 VanDerWaalsContact C-N 3.29Å; D476-K478 PolarHBondContact O-N 3.44Å; D476-D479 PolarHBondContact O-N 3.25Å; D476-A480 WeakPolarHBondContact O-CB 3.3Å; D476-A480 PolarHBondContact O-N 3.41Å
477Q69.1Low72.3Confident120 Ų120101.8 Ų101.856%0.56153%0.531SS*.Hα-helixtrans-68.2-19.8174.9-79.9175.985.200115.1T473 R475 R481T473-Q477 WeakPolarHBondContact O-CB 3.44Å; T473-Q477 WeakPolarHBondContact O-CG 3.27Å; T473-Q477 PolarHBondContact O-N 3.41Å; T473-Q477 PolarHBondContact O-NE2 3.13Å; R475-Q477 VanDerWaalsContact C-N 3.25Å; R475-Q477 PolarHBondContact O-N 3.32Å; Q477-R481 WeakPolarHBondContact O-CD 3.32Å; Q477-R481 VanDerWaalsContact O-CG 3.27Å; Q477-R481 WeakPolarHBondContact O-CG 3.36Å
478K68.3Low70.3Confident131 Ų131103.4 Ų103.457%0.5755%0.545SS*.Hα-helixtrans-85.5-42173.2-73.1171.1-178.8173.90111S474 R475 D476 R481 R482S474-K478 WeakPolarHBondContact O-CG 3.44Å; R475-K478 WeakPolarHBondContact O-CA 3.41Å; R475-K478 WeakPolarHBondContact O-CB 3.43Å; R475-K478 PolarHBondContact O-N 2.96Å; D476-K478 VanDerWaalsContact C-N 3.29Å; D476-K478 PolarHBondContact O-N 3.44Å; K478-R481 PolarHBondContact O-N 3.33Å; K478-R482 PolarHBondContact O-N 3.08Å
479D64.5Low68.2Low74 Ų74104.6 Ų104.640%0.39655%0.554SS.*Hα-helixtrans-70.7-35.8-179.9-64.2-30.3000110.7R475 D476 R481 R482 S483R475-D479 WeakPolarHBondContact CG-OD2 3.47Å; R475-D479 IonicContact NE-OD2 3.24Å; R475-D479 PolarHBondContact O-N 3.4Å; D476-D479 PolarHBondContact O-N 3.25Å; D479-R481 PolarHBondContact O-N 2.68Å; D479-R482 PolarHBondContact O-N 3.46Å; D479-S483 PolarHBondContact O-N 3.25Å
480A65.8Low65.9Low62 Ų62108.1 Ų108.151%0.51258%0.576SS.*Hα-helixtrans-64.7-33.7169.800000113.8D476 S484D476-A480 WeakPolarHBondContact O-CB 3.3Å; D476-A480 PolarHBondContact O-N 3.41Å; A480-S484 PolarHBondContact O-N 2.94Å; A480-S484 VanDerWaalsContact O-N 3.13Å
481R61.7Low63.6Low175 Ų175107.4 Ų107.466%0.6659%0.594SS**Hα-helixtrans-67.9-46.5173.6-78.9175.3-176.2-138.6-0.2111.3Q477 K478 D479 S483 S484 E485Q477-R481 WeakPolarHBondContact O-CD 3.32Å; Q477-R481 VanDerWaalsContact O-CG 3.27Å; Q477-R481 WeakPolarHBondContact O-CG 3.36Å; K478-R481 PolarHBondContact O-N 3.33Å; D479-R481 PolarHBondContact O-N 2.68Å; R481-S483 VanDerWaalsContact C-N 3.34Å; R481-S483 PolarHBondContact O-N 2.98Å; R481-S484 CarbonylContact O-C 3.54Å; R481-S484 WeakPolarHBondContact O-CA 3.34Å; R481-S484 WeakPolarHBondContact O-CB 3.46Å; R481-S484 PolarHBondContact O-N 3Å; R481-E485 WeakPolarHBondContact O-CG 3.44Å; R481-E485 PolarHBondContact O-N 2.98Å
482R62.7Low61.2Low171 Ų171106 Ų10665%0.64560%0.601SS**Hα-helixtrans-56.6-45.5174.8-77.9177.4156.5-169-11.7112.7K478 D479 S484 E485 E486K478-R482 PolarHBondContact O-N 3.08Å; D479-R482 PolarHBondContact O-N 3.46Å; R482-S484 VanDerWaalsContact C-N 3.28Å; R482-S484 PolarHBondContact O-N 3.38Å; R482-E485 PolarHBondContact O-N 3.24Å; R482-E486 PolarHBondContact O-N 3.4Å
483S57.8Low58.7Low61 Ų61107.6 Ų107.643%0.42762%0.622SS.*Hα-helixtrans-61.3-36.1175.81790000112.4D479 R481 E485 L487D479-S483 PolarHBondContact O-N 3.25Å; R481-S483 VanDerWaalsContact C-N 3.34Å; R481-S483 PolarHBondContact O-N 2.98Å; S483-E485 VanDerWaalsContact C-N 3.3Å; S483-E485 PolarHBondContact O-N 2.76Å; S483-L487 WeakPolarHBondContact O-CG 3.44Å; S483-L487 PolarHBondContact O-N 3.41Å
484S55.7Low56.3Low83 Ų83108.6 Ų108.658%0.5864%0.644SS**Hα-helixtrans-73.1-17.4173.1-172.30000114.2A480 R481 R482A480-S484 PolarHBondContact O-N 2.94Å; A480-S484 VanDerWaalsContact O-N 3.13Å; R481-S484 CarbonylContact O-C 3.54Å; R481-S484 WeakPolarHBondContact O-CA 3.34Å; R481-S484 WeakPolarHBondContact O-CB 3.46Å; R481-S484 PolarHBondContact O-N 3Å; R482-S484 VanDerWaalsContact C-N 3.28Å; R482-S484 PolarHBondContact O-N 3.38Å
485E55.6Low54.4Low134 Ų134115.5 Ų115.563%0.62667%0.671SS**Hα-helixtrans-88.6-36.6176.2-71.3171.2118.500111.2R481 R482 S483 A488R481-E485 WeakPolarHBondContact O-CG 3.44Å; R481-E485 PolarHBondContact O-N 2.98Å; R482-E485 PolarHBondContact O-N 3.24Å; S483-E485 VanDerWaalsContact C-N 3.3Å; S483-E485 PolarHBondContact O-N 2.76Å; E485-A488 PolarHBondContact O-N 3.12Å
486E54.5Low52.4Low152 Ų152116.5 Ų116.571%0.7168%0.683SS**Hα-helixtrans-64.7-43.9172.3-75.3-174.513400112.4R482 A488 A489R482-E486 PolarHBondContact O-N 3.4Å; E486-A488 PolarHBondContact O-N 3.38Å; E486-A489 WeakPolarHBondContact O-CB 3.36Å; E486-A489 PolarHBondContact O-N 3.24Å
487L54.6Low50.6Low144 Ų144120 Ų12075%0.75470%0.696SS**THydrogen-bonded Turntrans-65.4-10.1178.4-69172.2000114S483S483-L487 WeakPolarHBondContact O-CG 3.44Å; S483-L487 PolarHBondContact O-N 3.41Å
488A52.4Low48.7Very low80 Ų80123.4 Ų123.466%0.66171%0.712SS**THydrogen-bonded Turntrans-93.2-10.4173.700000113.4E485 E486E485-A488 PolarHBondContact O-N 3.12Å; E486-A488 PolarHBondContact O-N 3.38Å
489A49.4Very low46.9Very low85 Ų85122.8 Ų122.870%0.70272%0.719SS**THydrogen-bonded Turntrans-91.2-22.4-176.300000114E486 G491E486-A489 WeakPolarHBondContact O-CB 3.36Å; E486-A489 PolarHBondContact O-N 3.24Å; A489-G491 VanDerWaalsContact C-N 3.3Å; A489-G491 PolarHBondContact O-N 3.37Å
490D43.6Very low45.1Very low159 Ų159127.5 Ų127.585%0.8574%0.736SS**SBendtrans-81.9-5.3-176.7-158.348.1000113.6G492D490-G492 PolarHBondContact O-N 3.07Å
491G39.1Very low43.5Very low81 Ų81131.7 Ų131.784%0.83575%0.747SS**SBendtrans-90.726.9-171.100000116.3A489A489-G491 VanDerWaalsContact C-N 3.3Å; A489-G491 PolarHBondContact O-N 3.37Å
492G40Very low41.9Very low75 Ų75132 Ų13277%0.77376%0.756SS**  trans-154.671.9-168.600000115.8D490D490-G492 PolarHBondContact O-N 3.07Å
493G32Very low40.2Very low84 Ų84130.7 Ų130.787%0.86676%0.761SS**  trans-152123.4169.200000111.2
494G30.5Very low38.8Very low80 Ų80132.6 Ų132.683%0.82578%0.775SS**  trans168.984.3-175.700000111.1
495E37.1Very low38.9Very low200 Ų200133.8 Ų133.894%0.93578%0.78SS**  trans-121.5126.8-179.3-64.6-175.5151.300110.7
496E33.9Very low38.7Very low194 Ų194132.7 Ų132.791%0.90779%0.785SS**  trans-158138.7161.648.7-166.614700105.7
497E34.5Very low37.4Very low174 Ų174132.1 Ų132.181%0.81379%0.787SS**  cis-153.6135.915.3175.8-162.615600109.9
498E29Very low37Very low192 Ų192130.4 Ų130.490%0.89778%0.784SS**  trans-161.3160137.4-137.1-178.5115.100111.2
499V31.3Very low35.7Very low119 Ų119131.8 Ų131.872%0.72179%0.788SS**  trans-113.2157.9-167.7-75.40000113.5
500K27Very low34.9Very low172 Ų172132.2 Ų132.275%0.74879%0.786SS**  153.2114.3115.8-173172.7-178.5179.70117.3
501M31.3Very low34.3Very low151 Ų151130.1 Ų130.174%0.74478%0.784SS**  trans67.5133.6146.6-66.4165.7176.800123.3
502E28.1Very low33.9Very low182 Ų182131.8 Ų131.885%0.8578%0.782SS**  trans42.5148.4144-60.7-173.2119.300121.2
503D26.2Very low33.4Very low143 Ų143133.5 Ų133.577%0.76578%0.783SS**  cis-146.9175.830.1-17828.2000112.6
504S29.8Very low34.5Very low101 Ų101135.1 Ų135.171%0.70678%0.777SS**  trans-168.8165.3-177.2-82.40000115.8
505P56.8Low35.5Very low108 Ų108136.6 Ų136.670%0.70177%0.773SS**  cis-115.6-92.6-13.629.3-7.1000111
506P51.1Low35.3Very low110 Ų110132.4 Ų132.471%0.71477%0.765SS**  cis-116.7138.6-25.137.6-22.5000115.8
507D27.7Very low35.3Very low141 Ų141130.4 Ų130.475%0.75477%0.766SS**  25.5154.1116-88.2-45.4000122.8
508P46.6Very low35.2Very low108 Ų108126.5 Ų126.570%0.70176%0.763SS**  cis-150.7171.642.744.4-24.7000121.4
509C25.6Very low36.2Very low109 Ų109122.8 Ų122.874%0.73676%0.756SS**  trans77.7145.5150.8-72.90000120.1
510S32.1Very low36.2Very low94 Ų94122.3 Ų122.366%0.65776%0.758SS**  cis-172.8153-16.3-103.90000111.6
511S30.9Very low36.4Very low115 Ų115119.8 Ų119.880%0.80476%0.762SS**  trans61.8149.5155.448.70000119.9
512S30.7Very low36.7Very low115 Ų115120.4 Ų120.480%0.80477%0.767SS**  cis-164.6152.1-7.542.90000112.7
513S30.3Very low36.9Very low112 Ų112116.9 Ų116.978%0.78376%0.763SS**  trans-96.9-160.4174.3-29.50000111.6
514P53.4Low37.6Very low117 Ų117119.2 Ų119.276%0.7677%0.77SS**  cis-117-109.5-24.137.9-20000109.8
515P52.8Low38.3Very low112 Ų112120 Ų12073%0.72777%0.772SS**  -87.9175.1-74.528-8.3000113.3
516S31.3Very low38Very low111 Ų111120.8 Ų120.878%0.77678%0.777SS**  cis95.5103.517-162.20000117.6
517V34.9Very low37.9Very low152 Ų152121.8 Ų121.892%0.92178%0.784SS**  trans-168.2155.2148.7-98.80000111.8
518A31.4Very low38.5Very low92 Ų92123 Ų12376%0.7679%0.79SS**  trans-156.6-176.3170.500000108.3
519P50.9Low38.2Very low115 Ų115126.6 Ų126.675%0.74780%0.802SS**  cis-130.9-169.7-11.340.2-22.8000113.2
520S31.2Very low39Very low108 Ų108132.1 Ų132.176%0.75581%0.807SS**  trans144.4150.2131.8-65.50000118.8
521S31.3Very low39.6Very low120 Ų120133.5 Ų133.584%0.83981%0.814SS**  trans86.5167.2153.481.30000120.7
522L36.9Very low39.9Very low163 Ų163132.3 Ų132.385%0.85381%0.811SS**  trans-125.9155.7-156.6-67.5127.6000114.1
523S34.1Very low41.5Very low109 Ų109132.4 Ų132.476%0.76281%0.809SS**  trans120144.4139.3-510000118.9
524Q39.7Very low42.6Very low192 Ų192132.6 Ų132.690%0.89781%0.807SS**  trans76.1148.4161-66.6-173.9-1.100120.9
525P43.8Very low41.6Very low117 Ų117133 Ų13376%0.7681%0.813SS**  trans-100.3161.7-17939.7-35.7000114.6
526P51.8Low40.9Very low125 Ų125131.9 Ų131.981%0.81281%0.813SS**  trans-86.4164.7-178.834.6-36.1000115.3
527P49.2Very low42.4Very low131 Ų131131.9 Ų131.985%0.85181%0.81SS**  trans-109.2179.9-161.342.1-36.9000117.1
528L39.8Very low43.2Very low167 Ų167130.6 Ų130.687%0.87481%0.805SS**  trans-79147.7178-65.1164.3000114.2
529L40.3Very low43.6Very low182 Ų182131.3 Ų131.395%0.95381%0.805SS**  trans-145160.2157.5-83.8-174.4000112.7
530R42.8Very low42.8Very low225 Ų225134.2 Ų134.285%0.84981%0.813SS**  trans-154145.4-170.1-176.1-170.4-165.11728.8111.4
531P44.1Very low43.2Very low124 Ų124136.9 Ų136.981%0.80582%0.818SS**  trans-120.2173.5154.710.412.1000113.3
532A36.8Very low43.4Very low89 Ų89143 Ų14374%0.73682%0.823SS**  trans-146.4-165.6-176.700000111.9
533P64Low43.6Very low117 Ų117143.2 Ų143.276%0.7682%0.819SS**  trans-104-170-130.142.3-29.3000115
534P53.6Low44.9Very low117 Ų117144 Ų14476%0.7682%0.822SS**  -152.4160.8106.539.6-22.7000119.1
535S33.8Very low45.1Very low124 Ų124140.3 Ų140.387%0.86782%0.815SS**  trans72147.6143-67.10000125.8
536A37.5Very low45.5Very low90 Ų90140.5 Ų140.574%0.74482%0.816SS**  trans-148.9-165.7166.100000106.1
537P62.8Low45Very low110 Ų110142.1 Ų142.171%0.71482%0.817SS**  cis-121.8-142.4-9.532.2-6.6000110.7
538P51.3Low44.5Very low125 Ų125144.4 Ų144.481%0.81282%0.816SS**  -138.9174.862.736.5-16.5000115.9
539S40.8Very low44.3Very low108 Ų108143 Ų14376%0.75582%0.815SS**  trans-104155.2-174.6-47.30000113.9
540L33.8Very low44.2Very low175 Ų175144.1 Ų144.192%0.91681%0.806SS**  trans-142.2152.6158.6-80.9-176.6000112.6
541L39.2Very low44.3Very low165 Ų165139.3 Ų139.386%0.86480%0.804SS**  trans-90145-178.1-62.273.6000112
542R36.3Very low43.7Very low247 Ų247139.7 Ų139.793%0.93280%0.799SS**  trans-162.7168.3132.8-124.4175.9168159.1-3.2114.8
543Q39.4Very low43.7Very low168 Ų168144.5 Ų144.579%0.78581%0.806SS**  trans-84.7164-172.7-66.1163.4-43.100113.6
544P61.2Low42.2Very low127 Ų127145.9 Ų145.983%0.82581%0.807SS**  trans-92.9136176.135.6-33.5000114.4
545P45Very low41.2Very low114 Ų114151.1 Ų151.174%0.7481%0.812SS**  trans-143.5174.7159.439.2-23.8000114
546P52.5Low41.4Very low120 Ų120149.1 Ų149.178%0.77980%0.803SS**  cis-133.8-170.6-38.438.8-22.3000112.7
547L39.8Very low41.9Very low159 Ų159150.3 Ų150.383%0.83280%0.803SS**  trans-100.8166166.6-74166.5000111.7
548Q40.5Very low40.6Very low180 Ų180154.1 Ų154.184%0.84181%0.811SS**  trans72.7155.2171-51.8178.2-1.800114
549T34.8Very low40Very low138 Ų138154.4 Ų154.485%0.84781%0.805SS**  cis-139.5-168.529.954.10000113.9
550R37.3Very low40Very low204 Ų204158 Ų15877%0.7781%0.81SS**  trans-136.6146.3-172-168-171-164.8179.96.7109.7
551P44.8Very low40.8Very low124 Ų124154.5 Ų154.581%0.80580%0.798SS**  -137.6148124.235-22.9000112
552L33.4Very low41.3Very low133 Ų133152.3 Ų152.370%0.69679%0.793SS**  cis9791.528.9-85.8175.3000116
553Q36.8Very low41.6Very low189 Ų189146.4 Ų146.488%0.88379%0.787SS**  trans-176.2143.8145.4-1011663.600107.7
554N30.8Very low42.1Very low146 Ų146143.9 Ų143.978%0.78179%0.785SS**  cis-150.3153.1-15-150.91.8000112.6
555R32.4Very low41.1Very low227 Ų227146.1 Ų146.186%0.85779%0.789SS**  trans-23.5157.3167.1-171.2-177.5-165.6102.1-0.1119.3
556A39.4Very low40.6Very low82 Ų82148 Ų14868%0.67879%0.792SS**  cis-175.7-145.3-22.800000109.2
557P46.6Very low39.9Very low116 Ų116153.2 Ų153.275%0.75380%0.796SS**  -123.1171.2-87.637.2-21.7000116.3
558H36.2Very low40.8Very low189 Ų189151.6 Ų151.688%0.87580%0.795SS**  trans-144.8154.2148.9-152.752000111.5
559N38Very low40.3Very low131 Ų131147.7 Ų147.770%0.70179%0.793SS**  trans-108.9148.4-171.9-71.6-53.9000112.2
560H42.4Very low40.4Very low184 Ų184147.3 Ų147.385%0.85279%0.79SS**  -175.4163.3121.1-110.2-109.9000111.3
561P50.1Low40.1Very low101 Ų101143.6 Ų143.666%0.65679%0.791SS**PPolyproline II helixtrans-96.5168-16538-35.3000115
562P49.6Very low39.4Very low119 Ų119143 Ų14377%0.77379%0.789SS**PPolyproline II helixtrans-83.5151.4178.733.9-36.1000114.1
563P42.9Very low39.3Very low124 Ų124141.7 Ų141.781%0.80579%0.792SS**PPolyproline II helixtrans-82.5159.917233.7-34.4000113.4
564P49.4Very low39Very low115 Ų115138.5 Ų138.575%0.74779%0.79SS**  trans-109.5171.3-157.241.1-36.2000117
565L40.1Very low39Very low173 Ų173136.9 Ų136.991%0.90679%0.79SS**  trans-80.4134.8165.1-78.5138000111.7
566I35.6Very low38.8Very low154 Ų154131.1 Ų131.179%0.7979%0.785SS**  trans-137.8144.5165.2-64.9-176000109.5
567R37.4Very low38.4Very low230 Ų230134.9 Ų134.987%0.86879%0.793SS**  trans-124.2-170168.8-59.4177.2154.2172.3-6.7110.3
568P57.5Low37.6Very low125 Ų125140.7 Ų140.781%0.81280%0.799SS**  -87.5171.2-126.839.3-23.1000114.8
569A31.2Very low37.2Very low98 Ų98135.1 Ų135.181%0.8179%0.794SS**  trans-136.3159.3166.100000111.2
570V35.6Very low36.8Very low129 Ų129134.6 Ų134.678%0.78280%0.8SS**  trans-138.6-173.2-177.4-75.90000109.4
571T31.7Very low37.8Very low126 Ų126131.6 Ų131.677%0.77380%0.797SS**  trans78.8124.6-179.879.80000112.9
572S30.2Very low38.1Very low112 Ų112132 Ų13278%0.78380%0.799SS**  105.5151.367.5-73.70000109.7
573S31.1Very low37.4Very low106 Ų106131.6 Ų131.674%0.74180%0.8SS**  cis-168.2-179.64.8310000110.7
574S30.3Very low36.9Very low121 Ų121130.5 Ų130.585%0.84680%0.795SS**  trans79.8154.8167.186.40000116.5
575S30.5Very low36.1Very low113 Ų113130.4 Ų130.479%0.7980%0.797SS**  cis-144.6-178.52.862.30000112.4
576S29.9Very low35.9Very low106 Ų106127.2 Ų127.274%0.74179%0.789SS**  trans-122.8-179.3-166-51.30000114.4
577L30.8Very low36Very low161 Ų161124.8 Ų124.884%0.84379%0.792SS**  trans80155.2171.7-46.6177000114.4
578R28.9Very low36Very low237 Ų237118.2 Ų118.289%0.89479%0.787SS**  cis-154.6165.6-2.8-126.1173.6-171.6-147.34.9105.4
579G27.1Very low34.7Very low73 Ų73116.9 Ų116.975%0.75378%0.779SS**  cis173.9-174.812.500000109.1
580S31.5Very low34.9Very low119 Ų119120 Ų12083%0.83278%0.777SS**  trans-123.9-175.1-169.7-21.20000112.7
581P61.9Low35Very low121 Ų121121.8 Ų121.879%0.78678%0.779SS**  cis-114.5-110.5-10.434.3-12.2000111.1
582P57.2Low36.1Very low110 Ų110120.5 Ų120.571%0.71477%0.773SS**  cis-128.2-169-0.945.4-27.5000116.2
583S33.7Very low37.3Very low111 Ų111119.9 Ų119.978%0.77677%0.766SS**  trans-3.2153150.9-57.70000121.9
584S33.5Very low37.5Very low100 Ų100120.1 Ų120.170%0.69977%0.768SS**  cis-172.2171.9-4.146.20000112.2
585S33.4Very low37.7Very low113 Ų113121.5 Ų121.579%0.7977%0.765SS**  trans65.5146.616436.70000118.4
586S35.1Very low37.9Very low107 Ų107122.2 Ų122.275%0.74876%0.764SS**  cis-170.9145.4-10.147.40000112.3
587A36.8Very low38Very low103 Ų103119.8 Ų119.885%0.85176%0.756SS**  trans61.7161.9154.400000118.1
588A38.2Very low38.1Very low91 Ų91120.4 Ų120.475%0.75276%0.759SS**  cis-170.3162.5-24.500000106.4
589C31.2Very low38.2Very low98 Ų98117.4 Ų117.466%0.66275%0.753SS**  cis-141140.2-3.4-118.50000107.5
590Q34.5Very low38.5Very low164 Ų164119.4 Ų119.477%0.76675%0.75SS**  60.2118104.8-59.6-174.54000115.6
591M37Very low38.4Very low166 Ų166122.1 Ų122.182%0.81875%0.75SS**  cis78.7157.748.9-66.4-82.3-75.700113.1
592P54.8Low37.3Very low98 Ų98124.5 Ų124.564%0.63675%0.75SS**  cis-141.1-130.8-39.741.8-22.3000109.2
593P56.6Low37.2Very low99 Ų99124 Ų12464%0.64375%0.747SS**  cis-129.2161.7-38.836.7-21.7000115.3
594S34.3Very low37.4Very low112 Ų112125.4 Ų125.478%0.78375%0.746SS**  trans48.9178135.4-49.90000120.8
595L34.6Very low38Very low150 Ų150125.2 Ų125.279%0.78575%0.745SS**  cis-163.4162.113.5-141.5153000108.9
596V35.9Very low38.5Very low127 Ų127132.1 Ų132.177%0.7776%0.764SS**  trans68.2140.9171-1660000114
597G30.3Very low38.7Very low56 Ų56133.4 Ų133.458%0.57776%0.764SS**  cis124.2133.84.300000110.9
598L34.6Very low38.8Very low173 Ų173134.9 Ų134.991%0.90676%0.76SS**  trans66166.1177.5-50.4175.6000114.8
599K29.8Very low38.8Very low175 Ų175137.4 Ų137.476%0.76176%0.76SS**  cis-175129.4-36.6170.4-173.5171.3-170.40107.4
600V33.1Very low39.2Very low114 Ų114139.7 Ų139.769%0.69177%0.766SS**  trans67.2153.3168.91630000112.6
601E30.4Very low39.5Very low177 Ų177138.2 Ų138.283%0.82777%0.766SS**  cis-137.3-172.911.6-153.6151.3119.900113
602Q38.2Very low39.7Very low171 Ų171136.3 Ų136.380%0.79976%0.763SS**  trans-85.2-169159.5-60.9-173.8-9.700109.3
603P55.9Low38.6Very low100 Ų100139.1 Ų139.165%0.64977%0.772SS**  cis-137.9-163-1.444.6-25.5000115.4
604N36.9Very low37.2Very low139 Ų139142.2 Ų142.274%0.74378%0.782SS**  trans76.1116.5155.1-77.510.5000121.6
605S45.8Very low37.5Very low97 Ų97144.7 Ų144.768%0.67878%0.781SS**  57110.3119.2-460000120.1
606H44.5Very low37.8Very low257 Ų257144.2 Ų144.2100%1.1978%0.781SS**  -147.9095.2-128.6-60.1000113.4

Retrieved 606 of 606 residues in 370.3 ms (Link to these results)