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Homeobox protein unc-4

Transcription factor that regulates synaptic specificity.

AlphaFold DB , UniProt , Accession O77215, Species DROME (Drosophila melanogaster, Fruit fly), Gene unc-4, Length 588 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M50.2Low48Very low248 Ų248157 Ų157100%1.22286%0.861SS**  0105.80-81.317317500107.1
2V41.7Very low47.8Very low138 Ų138158.4 Ų158.484%0.83685%0.852SS**  trans-79.6140.6171.7177.40000107.2
3L51.4Low47.4Very low163 Ų163162.2 Ų162.285%0.85386%0.857SS**  trans-171.899.9148.8-97.1166.4000108.6
4E37.6Very low47Very low186 Ų186160.9 Ų160.987%0.86985%0.849SS**  trans-75.4139.1152-79.7-176.5116.400108.9
5T57.5Low46.9Very low119 Ų119159.3 Ų159.373%0.7385%0.848SS**  trans-157.2107.6153.938.40000105.9
6S52.4Low46.5Very low116 Ų116157.4 Ų157.481%0.81184%0.839SS**  89.3127.689.273.60000113.5
7E39.8Very low46.1Very low204 Ų204157.5 Ų157.595%0.95384%0.839SS**  trans-63.1156.8-173.9-63.6165.4121.100114.8
8G55.1Low46.1Very low71 Ų71156 Ų15673%0.73283%0.831SS**  trans-147.796.3174.800000112.4
9D48Very low45.7Very low160 Ų160156.2 Ų156.286%0.85683%0.832SS**  trans50.5122.4143-69-47.7000124.8
10T46.6Very low45.5Very low115 Ų115154.2 Ų154.271%0.70683%0.832SS**  trans-37.2135.8159.961.50000117.4
11K47.9Very low45.1Very low207 Ų207152.8 Ų152.890%0.983%0.834SS**  trans-141.7122.2140.5-80.6-167.4179.4169.50111
12K45.1Very low44.6Very low174 Ų174145.5 Ų145.576%0.75781%0.813SS**  trans-80133.3180-54.7178.5-178.7-173.80109.7
13F42.7Very low44.4Very low208 Ų208144.2 Ų144.291%0.91281%0.81SS**  trans-133.297.4151.5-93.5-82.5000107.5
14L42.1Very low43.9Very low144 Ų144147.6 Ų147.675%0.75481%0.811SS**  trans-85.6137.3159.1-81.880000107.3
15T45.2Very low44.2Very low136 Ų136146.8 Ų146.883%0.83481%0.813SS**  trans155.8142.3137.540.30000108
16N41Very low43.2Very low130 Ų130148.7 Ų148.770%0.69582%0.818SS**  cis-168.7126.5-20.3-164.222.5000102.3
17N39Very low42.8Very low158 Ų158150.2 Ų150.285%0.84582%0.818SS**  trans-105.3108-179.3-155.118.5000107.1
18N46.7Very low42.8Very low131 Ų131145.7 Ų145.770%0.70181%0.808SS**  trans-126.1104.4174.9-84.8-16.4000110.1
19N38.7Very low42.4Very low159 Ų159150.1 Ų150.185%0.8581%0.81SS**  trans-59.4131150.5-84.4-23.3000108.8
20S40.6Very low42.1Very low117 Ų117148.9 Ų148.982%0.81880%0.803SS**  trans-156.4112.4152.6-820000110.5
21S36.8Very low41.8Very low125 Ų125149.1 Ų149.187%0.87480%0.8SS**  trans-53131159.340.30000113.2
22A40.3Very low41.5Very low95 Ų95145 Ų14579%0.78579%0.788SS**  trans-162.6104.7154.300000107.2
23S38Very low41.4Very low110 Ų110143.1 Ų143.177%0.76979%0.786SS**  58.610790-1510000114.7
24R40.7Very low41.4Very low235 Ų235139.1 Ų139.189%0.88777%0.774SS**  trans32.2121.2145.9-66.3175.4171.5170.5-2.9118.5
25N43.1Very low41.4Very low169 Ų169138.9 Ų138.990%0.90477%0.774SS**  -157132.2128.2-115.3-8.4000112.7
26N38.3Very low41.4Very low158 Ų158141.2 Ų141.285%0.84578%0.775SS**  trans-69.2143.3168.2-68.1-35.2000109.5
27N42.9Very low41.5Very low149 Ų149139.7 Ų139.780%0.79778%0.775SS**  trans-152123.2144.8-135.81.8000111.6
28S39.2Very low42Very low108 Ų108137.9 Ų137.976%0.75577%0.771SS**  trans-103.7123.6171.8176.80000107.4
29H47.4Very low42.3Very low164 Ų164141.7 Ų141.776%0.75978%0.782SS**  trans-156.1100.3164.5-82.782.7000105
30N41Very low42.4Very low134 Ų134143.4 Ų143.472%0.71779%0.785SS**  68.3110.369.5-147.419.2000114.7
31N41.2Very low42.5Very low121 Ų121145.1 Ų145.165%0.64778%0.783SS**  trans68.5124.1143.3-80.8-8.5000124.4
32N41.7Very low43.3Very low120 Ų120145.1 Ų145.164%0.64278%0.78SS**  65.6124.1125.7-63.1-12.1000120.7
33N43.5Very low43.3Very low134 Ų134149.2 Ų149.272%0.71778%0.783SS**  167.5132.8100.9-92.5-32.6000114.9
34N42.8Very low43.6Very low125 Ų125153 Ų15367%0.66879%0.788SS**  68.5112128.5-63-21.4000124.2
35N41.8Very low43.5Very low139 Ų139148 Ų14874%0.74378%0.784SS**  45.3124.9110.2-69.3-17.4000122.7
36H44.3Very low43.5Very low184 Ų184143.9 Ų143.985%0.85278%0.781SS**  trans148.5145135-95.160.2000109.4
37S44Very low43.4Very low99 Ų99147.7 Ų147.769%0.69278%0.784SS**  cis-176.1162-10.5-100.30000106.3
38P50Low43.3Very low120 Ų120145.6 Ų145.678%0.77978%0.781SS**  trans-99.2155-17937-30000113.8
39K51.5Low43.3Very low210 Ų210145.3 Ų145.391%0.91378%0.779SS**  trans-151.2125.3166.8-87.3-166.7177.9-177.60115.1
40E41.6Very low42.9Very low195 Ų195142.3 Ų142.391%0.91178%0.777SS**  trans-2.4160151.4-50.7-152151.900125.5
41I42.4Very low42.9Very low154 Ų154142.1 Ų142.179%0.7978%0.78SS**  trans-75.5161.3-179.1-56.2156.2000112.1
42P54.3Low43Very low124 Ų124140.9 Ų140.981%0.80578%0.781SS**  -145.4148.1118.531.5-13.2000115.5
43E39.3Very low43.1Very low182 Ų182139.7 Ų139.785%0.8578%0.782SS**  trans-81.5144.3161.2-66-158.2153.600111.1
44E43.7Very low43.2Very low189 Ų189140.6 Ų140.688%0.88379%0.787SS**  trans-166157.7137.4-124-163.3160.700113.6
45T39.8Very low43.2Very low131 Ų131139.9 Ų139.980%0.80479%0.792SS**  trans-78.7158.9-161.855.60000116.8
46G42.1Very low43.5Very low81 Ų81140.9 Ų140.984%0.83580%0.795SS**  trans176.7108.9164.700000117.7
47R37.6Very low44.1Very low238 Ų238137 Ų13790%0.89879%0.786SS**  trans-53.4159.6-178.3-68.2162.7158.9-162.8-5.4119.7
48S40.1Very low43.9Very low105 Ų105139.3 Ų139.373%0.73479%0.791SS**  92.4116.512946.30000124.1
49S39.3Very low43.8Very low103 Ų103138 Ų13872%0.7279%0.791SS**  79.8119.1124.3640000124.3
50S39.5Very low43.4Very low101 Ų101135.7 Ų135.771%0.70678%0.783SS**  102.9130.9118.571.10000122.6
51T40.4Very low43.3Very low130 Ų130136.3 Ų136.380%0.79878%0.777SS**  trans69.5143.7148.36.70000117.9
52S43.9Very low43.3Very low95 Ų95134.6 Ų134.666%0.66477%0.774SS**  cis-173.8133.328.5-140.20000108.1
53S43.9Very low42.7Very low95 Ų95136.6 Ų136.666%0.66478%0.777SS**  91.2146.1103.454.10000119.8
54N44.8Very low42.8Very low152 Ų152132.4 Ų132.481%0.81377%0.774SS**  trans95.2133.9169.1-56.7-20.8000117.8
55S42.2Very low42.6Very low111 Ų111126.8 Ų126.878%0.77677%0.767SS**  cis-167.3152.3-9.6-91.60000108.9
56I49Very low42.6Very low159 Ų159129.5 Ų129.582%0.81577%0.771SS**  trans-99.4-163.6-176.6-16.4179.6000110
57P56.3Low42.6Very low102 Ų102133.6 Ų133.666%0.66277%0.768SS**  cis-146.6175.9-24.534.5-12.2000118.5
58N40.9Very low42.7Very low149 Ų149128.4 Ų128.480%0.79776%0.757SS**  trans56136.3136.4-84.4-9.6000126.1
59A46.5Very low42.8Very low92 Ų92131.2 Ų131.276%0.7676%0.763SS**  166.8114109.100000110.8
60H43.7Very low42.7Very low162 Ų162130.2 Ų130.275%0.7577%0.769SS**  76.4120.386.1-103.4-66000119.1
61R39.2Very low42.7Very low208 Ų208129.4 Ų129.479%0.78578%0.776SS**  trans86.2111.3136.1-98.8171.6179.8-115.82.1123.4
62T42.5Very low42.8Very low118 Ų118129.1 Ų129.172%0.72478%0.78SS**  47.1129.1122.362.70000122.2
63N41.8Very low43.1Very low165 Ų165130.2 Ų130.288%0.88278%0.784SS**  171.8160.7106.8-153.6-11.1000112
64A40.9Very low43Very low94 Ų94131.2 Ų131.278%0.77779%0.792SS**  trans-79.1174.6-166.800000117.6
65G39.9Very low42.7Very low72 Ų72129.4 Ų129.474%0.74279%0.791SS**  trans133.495143.500000118.8
66Q41.2Very low42.3Very low188 Ų188128.6 Ų128.688%0.87979%0.791SS**  trans28.6123.4135.5-53-178.311.300122.3
67H41.9Very low41.5Very low167 Ų167127 Ų12777%0.77379%0.793SS**  175.8110.6127.7-121.8-121.7000108.7
68L39.7Very low40.4Very low129 Ų129126.9 Ų126.968%0.67579%0.794SS**  68.5114.897-78.3-177.6000117.1
69L41.5Very low40.1Very low163 Ų163126 Ų12685%0.85379%0.794SS**  trans82.5116.9144.1-53.7173.2000121.2
70G37.5Very low39.7Very low83 Ų83126.8 Ų126.886%0.85679%0.794SS**  105.7124.2125.500000118.7
71G39.7Very low39.3Very low83 Ų83125.5 Ų125.586%0.85680%0.797SS**  trans117.2108.4147.200000117.2
72S43Very low39.4Very low125 Ų125121.8 Ų121.887%0.87480%0.803SS**  trans-66.5166.2175.1-670000115.2
73P48.9Very low39Very low117 Ų117120.2 Ų120.276%0.7681%0.811SS**  trans-117.5169.8-157.941.3-29000115.1
74S41.7Very low38.6Very low117 Ų117117.4 Ų117.482%0.81880%0.803SS**  trans160.714515139.50000108.9
75S38.2Very low38.4Very low113 Ų113116.6 Ų116.679%0.7980%0.804SS**  cis-176.3130.1-2.443.20000107
76A34.4Very low38.7Very low95 Ų95121 Ų12179%0.78581%0.807SS**  trans-163.7149163.300000111.5
77C31.5Very low38.6Very low126 Ų126118 Ų11885%0.85180%0.804SS**  trans70.5147.5173.790.40000116.3
78S35Very low38.6Very low99 Ų99115 Ų11569%0.69280%0.801SS**  cis-171146.8-17.9-86.20000105.4
79T33.6Very low39Very low130 Ų130118.1 Ų118.180%0.79881%0.813SS**  trans47.2121.915340.80000120.9
80S37.5Very low38.9Very low108 Ų108113.9 Ų113.976%0.75581%0.808SS**  150.7115119.7-64.90000113.9
81V35.2Very low39.3Very low135 Ų135115 Ų11582%0.81879%0.794SS**  trans27.2116.2146.5-74.10000120.7
82S41.4Very low39.7Very low130 Ų130117 Ų11791%0.90978%0.781SS**  trans-168.8139.4141-85.80000112.2
83G33.9Very low40.2Very low85 Ų85115.5 Ų115.588%0.87677%0.768SS**  trans-76.7151.8-156.400000117.8
84C35.2Very low41Very low107 Ų107113.3 Ų113.372%0.72375%0.753SS**  trans-109.4112.8171.444.20000110.1
85G36.1Very low42Very low77 Ų77109.4 Ų109.479%0.79473%0.727SS**PPolyproline II helixtrans-82127.8171.900000111.4
86M45Very low42.9Very low164 Ų164105.1 Ų105.181%0.80870%0.699SS**PPolyproline II helixtrans-84.3135.7179-51.8-72.7155.600110.7
87P40.7Very low44.5Very low126 Ų126106.6 Ų106.682%0.81869%0.693SS**PPolyproline II helixtrans-91.1143.8163.833.1-27.4000112.3
88S41.3Very low46.4Very low103 Ų103106.5 Ų106.572%0.7268%0.68SS**PPolyproline II helixtrans-66.1141.2-174.148.90000117.2
89E48.3Very low47.8Very low195 Ų195107 Ų10791%0.91167%0.674SS**  -158.1128.1128.2-80.7-64.3131.500107.1
90G38.9Very low49.4Very low74 Ų74106.7 Ų106.776%0.76366%0.659SS**SBendtrans109.917.3149.300000123.6
91L46.7Very low50.8Low107 Ų107103.6 Ų103.656%0.5664%0.64SS**SBendtrans-168.4138.4152.7-145.171.2000108.5A95 A96 L99L91-A95 HydrophobicContact CD2-CB 4.36Å; L91-A95 HydrophobicContact CG-CB 4.32Å; L91-A96 HydrophobicContact CD2-CB 4.29Å; L91-L99 HydrophobicContact CD2-CD1 3.67Å
92H48.3Very low52.2Low125 Ų12599.5 Ų99.558%0.57962%0.62SS**  trans-57.1131.4177.8-170.8-104.5000109.2T94 A95 A96H92-T94 PolarHBondContact CE1-OG1 3.38Å; H92-T94 WeakPolarHBondContact ND1-CB 3.27Å; H92-T94 PolarHBondContact ND1-OG1 3.39Å; H92-T94 PolarHBondContact O-N 3.19Å; H92-A95 HydrophobicContact CB-CB 4.23Å; H92-A95 WeakPolarHBondContact O-CA 3.04Å; H92-A95 WeakPolarHBondContact O-CB 3.46Å; H92-A95 PolarHBondContact O-N 3.5Å; H92-A96 PolarHBondContact O-N 3.37Å
93P52.7Low53Low92 Ų9296.3 Ų96.360%0.59760%0.602SS**Hα-helixtrans-57.3-29.7-173.121.1-33.1000112.6L97P93-L97 WeakPolarHBondContact O-CB 3.31Å; P93-L97 WeakPolarHBondContact O-CD1 3.32Å; P93-L97 PolarHBondContact O-N 3.09Å
94T65.4Low54.3Low72 Ų7294.8 Ų94.844%0.44258%0.581SS.*Hα-helixtrans-69.7-36.5173-42.40000113.1H92 Q98H92-T94 PolarHBondContact CE1-OG1 3.38Å; H92-T94 WeakPolarHBondContact ND1-CB 3.27Å; H92-T94 PolarHBondContact ND1-OG1 3.39Å; H92-T94 PolarHBondContact O-N 3.19Å; T94-Q98 WeakPolarHBondContact O-CB 3.16Å; T94-Q98 VanDerWaalsContact O-CG 3.25Å; T94-Q98 WeakPolarHBondContact O-CG 3.29Å; T94-Q98 PolarHBondContact O-N 3.39Å
95A63.1Low55.4Low34 Ų3497.5 Ų97.528%0.28158%0.583SS.*Hα-helixtrans-72.5-37.5176.700000111.1L91 H92 Q98 L99L91-A95 HydrophobicContact CD2-CB 4.36Å; L91-A95 HydrophobicContact CG-CB 4.32Å; H92-A95 HydrophobicContact CB-CB 4.23Å; H92-A95 WeakPolarHBondContact O-CA 3.04Å; H92-A95 WeakPolarHBondContact O-CB 3.46Å; H92-A95 PolarHBondContact O-N 3.5Å; A95-Q98 PolarHBondContact O-N 3.37Å; A95-L99 WeakPolarHBondContact O-CB 3.39Å; A95-L99 WeakPolarHBondContact O-CG 3.44Å; A95-L99 PolarHBondContact O-N 3.44Å
96A56.3Low56.5Low24 Ų2497.5 Ų97.520%0.19857%0.565CS.*Hα-helixtrans-63.8-42.717200000111.7L91 H92 L99 Y100L91-A96 HydrophobicContact CD2-CB 4.29Å; H92-A96 PolarHBondContact O-N 3.37Å; A96-L99 PolarHBondContact O-N 3.29Å; A96-Y100 WeakPolarHBondContact O-CB 3.49Å; A96-Y100 PolarHBondContact O-N 3.36Å
97L68.7Low56.7Low125 Ų12592.3 Ų92.365%0.65455%0.548SS*.Hα-helixtrans-64.3-39.5173.3-108.780.3000112.5P93 Y100 A101P93-L97 WeakPolarHBondContact O-CB 3.31Å; P93-L97 WeakPolarHBondContact O-CD1 3.32Å; P93-L97 PolarHBondContact O-N 3.09Å; L97-Y100 PolarHBondContact O-N 2.9Å; L97-A101 WeakPolarHBondContact O-CB 3.24Å; L97-A101 PolarHBondContact O-N 3.09Å
98Q70.3Confident57.2Low124 Ų12491 Ų9158%0.57954%0.539SS*.Hα-helixtrans-66.4-40.8177-78.7171-0.900111.7T94 A95 A102T94-Q98 WeakPolarHBondContact O-CB 3.16Å; T94-Q98 VanDerWaalsContact O-CG 3.25Å; T94-Q98 WeakPolarHBondContact O-CG 3.29Å; T94-Q98 PolarHBondContact O-N 3.39Å; A95-Q98 PolarHBondContact O-N 3.37Å; Q98-A102 WeakPolarHBondContact O-CB 3.44Å; Q98-A102 PolarHBondContact O-N 3.29Å
99L65.7Low57.7Low109 Ų10993.4 Ų93.457%0.57154%0.544SS*.Hα-helixtrans-66.3-41.1173.8-75.7169.8000111.9L91 A95 A96 A102 A103L91-L99 HydrophobicContact CD2-CD1 3.67Å; A95-L99 WeakPolarHBondContact O-CB 3.39Å; A95-L99 WeakPolarHBondContact O-CG 3.44Å; A95-L99 PolarHBondContact O-N 3.44Å; A96-L99 PolarHBondContact O-N 3.29Å; L99-A102 PolarHBondContact O-N 3.27Å; L99-A103 VanDerWaalsContact O-CB 3.26Å; L99-A103 WeakPolarHBondContact O-CB 3.18Å; L99-A103 PolarHBondContact O-N 3.19Å
100Y67.2Low57.9Low125 Ų12588.4 Ų88.449%0.4955%0.545SS..Hα-helixtrans-66.7-43.5176.2-174.8-97.2000112A96 L97 A103 A104A96-Y100 WeakPolarHBondContact O-CB 3.49Å; A96-Y100 PolarHBondContact O-N 3.36Å; L97-Y100 PolarHBondContact O-N 2.9Å; Y100-A103 PolarHBondContact O-N 3.36Å; Y100-A104 VanDerWaalsContact O-CB 3.29Å; Y100-A104 WeakPolarHBondContact O-CB 3.47Å; Y100-A104 PolarHBondContact O-N 3.03Å
101A66.7Low58.4Low42 Ų4290.6 Ų90.635%0.34754%0.543SS..Hα-helixtrans-66.1-37.6176.500000111.9L97 Q105L97-A101 WeakPolarHBondContact O-CB 3.24Å; L97-A101 PolarHBondContact O-N 3.09Å; A101-Q105 VanDerWaalsContact O-CG 3.27Å; A101-Q105 WeakPolarHBondContact O-CG 3.42Å; A101-Q105 PolarHBondContact O-N 3.46Å; A101-Q105 VanDerWaalsContact O-N 3.09Å; A101-Q105 PolarHBondContact O-NE2 2.82Å
102A63.8Low58.7Low49 Ų4996.5 Ų96.541%0.40556%0.558SS.*Hα-helixtrans-66.9-41.5172.800000111.6Q98 L99 Q105 L106Q98-A102 WeakPolarHBondContact O-CB 3.44Å; Q98-A102 PolarHBondContact O-N 3.29Å; L99-A102 PolarHBondContact O-N 3.27Å; A102-Q105 PolarHBondContact O-N 3.17Å; A102-L106 WeakPolarHBondContact O-CD1 3.49Å; A102-L106 PolarHBondContact O-N 3.4Å
103A59.2Low58.8Low63 Ų6394.6 Ų94.652%0.52156%0.555SS.*Hα-helixtrans-66.5-37.2175.800000112.4L99 Y100 L106L99-A103 VanDerWaalsContact O-CB 3.26Å; L99-A103 WeakPolarHBondContact O-CB 3.18Å; L99-A103 PolarHBondContact O-N 3.19Å; Y100-A103 PolarHBondContact O-N 3.36Å; A103-L106 PolarHBondContact O-N 3.3Å
104A60.6Low58.8Low54 Ų5494.5 Ų94.545%0.44655%0.554SS.*Hα-helixtrans-69-31.6176.400000112.7Y100 L106Y100-A104 VanDerWaalsContact O-CB 3.29Å; Y100-A104 WeakPolarHBondContact O-CB 3.47Å; Y100-A104 PolarHBondContact O-N 3.03Å; A104-L106 VanDerWaalsContact C-N 3.29Å; A104-L106 PolarHBondContact O-N 3.36Å
105Q58Low58.6Low164 Ų16496.6 Ų96.677%0.76657%0.569SS**Hα-helixtrans-75.5-15.5174.9-73.6173.347.700113.5A101 A102A101-Q105 VanDerWaalsContact O-CG 3.27Å; A101-Q105 WeakPolarHBondContact O-CG 3.42Å; A101-Q105 PolarHBondContact O-N 3.46Å; A101-Q105 VanDerWaalsContact O-N 3.09Å; A101-Q105 PolarHBondContact O-NE2 2.82Å; A102-Q105 PolarHBondContact O-N 3.17Å
106L59.2Low57.7Low77 Ų77104.1 Ų104.140%0.40359%0.59SS.*THydrogen-bonded Turntrans-95.41.6177.5-99.878.8000113.8A102 A103 A104 P108 Q188A102-L106 WeakPolarHBondContact O-CD1 3.49Å; A102-L106 PolarHBondContact O-N 3.4Å; A103-L106 PolarHBondContact O-N 3.3Å; A104-L106 VanDerWaalsContact C-N 3.29Å; A104-L106 PolarHBondContact O-N 3.36Å; L106-P108 WeakPolarHBondContact O-CD 3.45Å; L106-Q188 VanDerWaalsContact CD2-OE1 3.28Å
107A49.8Very low57.7Low55 Ų55105.8 Ų105.846%0.45561%0.609SS.*  trans-95.9101.7-17900000111.5N109A107-N109 PolarHBondContact O-N 3.37Å
108P50.3Low56.8Low98 Ų98104 Ų10464%0.63661%0.605SS**  trans-70.1122.9165.728.1-31.7000109.6L106L106-P108 WeakPolarHBondContact O-CD 3.45Å
109N52.6Low55.6Low154 Ų154105.3 Ų105.382%0.82461%0.61SS**SBendtrans54.292.9160.5-55.7-23.5000117.1A107 V111A107-N109 PolarHBondContact O-N 3.37Å; N109-V111 PolarHBondContact O-N 3.09Å
110G53.2Low54.6Low89 Ų89108.3 Ų108.392%0.91863%0.625SS**  trans79.14.5144.700000118.4R112G110-R112 PolarHBondContact O-N 2.86Å
111V48.5Very low53.5Low120 Ų120110.1 Ų110.173%0.72764%0.638SS**  trans-86.1108.6176-174.30000110.4N109 V113N109-V111 PolarHBondContact O-N 3.09Å; V111-V113 PolarHBondContact O-N 3.34Å; V111-V113 VanDerWaalsContact O-N 3.17Å
112R52.2Low52.2Low231 Ų231117.2 Ų117.287%0.87266%0.661SS**  trans-57.3111.7176.2-169.5-179.4-168.6166.63.1110.3G110 P114G110-R112 PolarHBondContact O-N 2.86Å; R112-P114 WeakPolarHBondContact O-CD 3.43Å
113V50.2Low50.8Low85 Ų85118 Ų11852%0.51568%0.675SS.*PPolyproline II helixtrans-62.9123.2174.9-161.90000108.8V111V111-V113 PolarHBondContact O-N 3.34Å; V111-V113 VanDerWaalsContact O-N 3.17Å
114P53.2Low49.9Very low91 Ų91120.6 Ų120.659%0.59168%0.684SS**PPolyproline II helixtrans-60.3141.9176.9-21.932.4000111.1R112R112-P114 WeakPolarHBondContact O-CD 3.43Å
115P60.6Low48.8Very low115 Ų115124.1 Ų124.175%0.74770%0.702SS**PPolyproline II helixtrans-57.6150.3170.225.2-32000109.7G117P115-G117 PolarHBondContact O-N 3.48Å
116W45.7Very low47.7Very low193 Ų193119.4 Ų119.473%0.73170%0.697SS**SBendtrans-64.441.2-172.7-77.936.4000115.3
117G56.1Low47Very low58 Ų58121.7 Ų121.760%0.59871%0.714SS**  trans-84.1-36179.900000116.1P115P115-G117 PolarHBondContact O-N 3.48Å
118P49.7Very low46.4Very low88 Ų88129.1 Ų129.157%0.57174%0.736SS**G310 helixtrans-91.4-5.2-169.3-9.126.9000116.7L120P118-L120 VanDerWaalsContact C-N 3.31Å; P118-L120 PolarHBondContact O-N 2.86Å
119F44.5Very low45.8Very low152 Ų152127.1 Ų127.167%0.66773%0.734SS**G310 helixtrans-84-0.5-173.1-122.8-86.7000114.9
120L45.2Very low45.4Very low171 Ų171125.5 Ų125.590%0.89573%0.731SS**G310 helixtrans-1079.2179.8-70.3171.6000113.9P118P118-L120 VanDerWaalsContact C-N 3.31Å; P118-L120 PolarHBondContact O-N 2.86Å
121Q44.6Very low44.8Very low163 Ų163129.4 Ų129.476%0.76273%0.732SS**  trans-114.24.1-174-165.8146.2-7.800115.7G123Q121-G123 PolarHBondContact O-N 3.25Å
122F38.2Very low44.4Very low192 Ų192126.4 Ų126.484%0.84272%0.724SS**  trans-99.665.3169.7-75.3-77.8000111.7
123G35Very low44.1Very low66 Ų66121.2 Ų121.268%0.6872%0.721SS**  trans-109.280.1155.800000108.2Q121 P125Q121-G123 PolarHBondContact O-N 3.25Å; G123-P125 WeakPolarHBondContact O-CD 3.47Å
124V40.4Very low43.3Very low117 Ų117127.1 Ų127.171%0.70974%0.74SS**  trans-101100.2170.2-175.70000108.1
125P36.9Very low42.8Very low127 Ų127130.7 Ų130.783%0.82575%0.753SS**  trans-83.8115.1162.831.4-26.1000107.8G123G123-P125 WeakPolarHBondContact O-CD 3.47Å
126G36Very low41.6Very low65 Ų65128.1 Ų128.167%0.6775%0.748SS**  trans168.911.6175.900000121.5
127V43.8Very low41.1Very low125 Ų125130.3 Ų130.376%0.75876%0.756SS**SBendtrans-131.960.1178.6-175.80000111
128F36.7Very low40.5Very low211 Ų211132.8 Ų132.893%0.92576%0.761SS**  trans-16284.1154.8-90.6-69.5000107.5
129G37.5Very low39.9Very low56 Ų56139.4 Ų139.458%0.57778%0.775SS**  trans-71.1152.4165.300000110.4N131G129-N131 PolarHBondContact O-N 3.12Å
130P44.4Very low39.6Very low120 Ų120141.2 Ų141.278%0.77978%0.782SS**SBendtrans-62132.3167.430.2-31000106.5
131N41Very low39.2Very low172 Ų172139.7 Ų139.792%0.9278%0.775SS**  trans99.739.2-178.9-43.7-41.8000117.8G129G129-N131 PolarHBondContact O-N 3.12Å
132G40.8Very low38.7Very low56 Ų56137 Ų13758%0.57778%0.781SS**  trans-121.1148.5165.700000112.1
133P46Very low38.8Very low122 Ų122132.1 Ų132.179%0.79278%0.776SS**  trans-71.6134.5-141.229.3-34.9000114.2L135P133-L135 PolarHBondContact O-N 3.45Å
134F32.5Very low38.8Very low209 Ų209134.7 Ų134.792%0.91778%0.784SS**  trans-50.8100.5161.3-105.5-105.6000110.2
135L43.6Very low38.9Very low167 Ų167133.6 Ų133.687%0.87479%0.787SS**  trans-92.5108.3157.2-73.8176.6000107.6P133P133-L135 PolarHBondContact O-N 3.45Å
136G35.8Very low38.8Very low61 Ų61131.3 Ų131.363%0.62979%0.787SS**  trans-58.1143.1-166.200000114.5
137R34.7Very low38.7Very low239 Ų239131.2 Ų131.290%0.90279%0.785SS**  trans-52.7127.6154-80.5169.9159.8-110.3-0.2108.4R139R137-R139 PolarHBondContact O-N 3.42Å
138P42.2Very low38.6Very low109 Ų109133.8 Ų133.871%0.70879%0.789SS**  trans-68.5106.2165.626.9-28.6000107.9F140P138-F140 HydrophobicContact CB-CD2 4.36Å; P138-F140 HydrophobicContact CB-CE2 4.45Å; P138-F140 PolarHBondContact O-N 3.03Å
139R37.5Very low38.9Very low227 Ų227129.2 Ų129.286%0.85778%0.78SS**  trans-69.8109.2153.9-106.4-170.6167.5112.4-3.5105.5R137 D141R137-R139 PolarHBondContact O-N 3.42Å; R139-D141 PolarHBondContact O-N 3.47Å
140F39.4Very low39.5Very low190 Ų190132.6 Ų132.683%0.83379%0.785SS**  trans-83.299.8162.2-96.1-85.2000107.1P138 A142P138-F140 HydrophobicContact CB-CD2 4.36Å; P138-F140 HydrophobicContact CB-CE2 4.45Å; P138-F140 PolarHBondContact O-N 3.03Å; F140-A142 PolarHBondContact O-N 3.43Å
141D36.7Very low39.8Very low140 Ų140131.6 Ų131.675%0.74978%0.781SS**  trans-69.7116.8159-83.6-47.7000107.8R139 A143R139-D141 PolarHBondContact O-N 3.47Å; D141-A143 PolarHBondContact O-N 2.89Å
142A33.9Very low40.2Very low107 Ų107127.3 Ų127.388%0.88477%0.769SS**  trans-82.195.7174.700000108.7F140F140-A142 PolarHBondContact O-N 3.43Å
143A39Very low40.6Very low89 Ų89128 Ų12874%0.73677%0.769SS**  trans-145.1108.6167.300000111.3D141D141-A143 PolarHBondContact O-N 2.89Å
144S36.5Very low40.8Very low120 Ų120125.2 Ų125.284%0.83976%0.757SS**  trans71.6129.7144.5-151.40000120.8
145A42.1Very low41.5Very low94 Ų94117.9 Ų117.978%0.77774%0.735SS**  trans80103.5146.300000119.5
146G34.8Very low41.8Very low79 Ų79112.4 Ų112.481%0.81471%0.714SS**  96.810312100000118
147G33.8Very low42.4Very low62 Ų62112 Ų11264%0.63970%0.704SS**  trans83.3128.1132.900000119.2
148H41.8Very low43.2Very low180 Ų180103.4 Ų103.483%0.83369%0.685SS**  trans101143.4149-56.3-71.5000119.7N150H148-N150 PolarHBondContact O-N 3Å
149P42.8Very low43.9Very low115 Ų115103 Ų10375%0.74768%0.68SS**  trans-101.490.4-145.536.6-28.2000112.5
150N50.9Low44.6Very low126 Ų12698.9 Ų98.967%0.67467%0.67SS**  trans-121.812.5178-67-30.2000114.3H148 A152 A153 A154H148-N150 PolarHBondContact O-N 3Å; N150-A152 VanDerWaalsContact C-N 3.34Å; N150-A152 PolarHBondContact O-N 2.7Å; N150-A153 PolarHBondContact O-N 3Å; N150-A154 PolarHBondContact O-N 2.95Å
151S50.8Low45.2Very low100 Ų10096.4 Ų96.470%0.69966%0.663SS**Hα-helixtrans-67.7-27.8-176.6-172.20000113.9A155S151-A155 WeakPolarHBondContact O-CB 3.35Å; S151-A155 PolarHBondContact O-N 3.33Å
152A47.7Very low46Very low82 Ų8292.6 Ų92.668%0.67865%0.651SS**Hα-helixtrans-69.5-38.1177.200000112.7N150 A156N150-A152 VanDerWaalsContact C-N 3.34Å; N150-A152 PolarHBondContact O-N 2.7Å; A152-A156 VanDerWaalsContact O-CB 3.29Å; A152-A156 WeakPolarHBondContact O-CB 3.33Å; A152-A156 PolarHBondContact O-N 3.46Å
153A51.1Low46.9Very low70 Ų7090 Ų9058%0.57963%0.63SS**Hα-helixtrans-71-37.9178.400000111.9N150 A156 A157N150-A153 PolarHBondContact O-N 3Å; A153-A156 PolarHBondContact O-N 2.95Å; A153-A157 WeakPolarHBondContact O-CB 3.29Å; A153-A157 PolarHBondContact O-N 3.37Å
154A49.1Very low47.8Very low64 Ų6489.4 Ų89.453%0.52962%0.617SS.*Hα-helixtrans-68.2-40.1175.300000112.3N150 A157 A158N150-A154 PolarHBondContact O-N 2.95Å; A154-A157 PolarHBondContact O-N 3.43Å; A154-A158 WeakPolarHBondContact O-CB 3.44Å; A154-A158 PolarHBondContact O-N 2.85Å
155A47.9Very low48.9Very low55 Ų5589.1 Ų89.146%0.45561%0.606SS.*Hα-helixtrans-66.9-38.4174.100000112.4S151 A158 T159S151-A155 WeakPolarHBondContact O-CB 3.35Å; S151-A155 PolarHBondContact O-N 3.33Å; A155-A158 PolarHBondContact O-N 2.56Å; A155-T159 WeakPolarHBondContact O-CB 3.15Å; A155-T159 PolarHBondContact O-N 3.08Å; A155-T159 PolarHBondContact O-OG1 3.35Å
156A49.2Very low49.5Very low52 Ų5287.2 Ų87.243%0.4359%0.59SS.*Hα-helixtrans-65.5-42.417400000111.9A152 A153 T159 Q160A152-A156 VanDerWaalsContact O-CB 3.29Å; A152-A156 WeakPolarHBondContact O-CB 3.33Å; A152-A156 PolarHBondContact O-N 3.46Å; A153-A156 PolarHBondContact O-N 2.95Å; A156-T159 PolarHBondContact O-N 3.38Å; A156-Q160 WeakPolarHBondContact O-CG 3.3Å; A156-Q160 PolarHBondContact O-N 3.19Å
157A49.1Very low50.6Low51 Ų5185.9 Ų85.942%0.42157%0.568SS.*Hα-helixtrans-65-40.5176.200000112.4A153 A154 Q160 M161A153-A157 WeakPolarHBondContact O-CB 3.29Å; A153-A157 PolarHBondContact O-N 3.37Å; A154-A157 PolarHBondContact O-N 3.43Å; A157-Q160 PolarHBondContact O-N 2.97Å; A157-M161 WeakPolarHBondContact O-CB 3.49Å; A157-M161 WeakPolarHBondContact O-CG 3.26Å; A157-M161 PolarHBondContact O-N 2.9Å
158A50.9Low51.8Low60 Ų6087 Ų8750%0.49656%0.56SS.*Hα-helixtrans-65.1-38.8174.800000112.2A154 A155 A162A154-A158 WeakPolarHBondContact O-CB 3.44Å; A154-A158 PolarHBondContact O-N 2.85Å; A155-A158 PolarHBondContact O-N 2.56Å; A158-A162 WeakPolarHBondContact O-CB 3.36Å; A158-A162 PolarHBondContact O-N 3.02Å
159T57.3Low52.8Low99 Ų9981.1 Ų81.161%0.60754%0.542SS*.Hα-helixtrans-67.6-41.4176-55.20000111.4A155 A156 A162 A163A155-T159 WeakPolarHBondContact O-CB 3.15Å; A155-T159 PolarHBondContact O-N 3.08Å; A155-T159 PolarHBondContact O-OG1 3.35Å; A156-T159 PolarHBondContact O-N 3.38Å; T159-A162 PolarHBondContact O-N 2.99Å; T159-A163 WeakPolarHBondContact O-CB 3.46Å; T159-A163 PolarHBondContact O-N 3.22Å
160Q51.2Low53.7Low141 Ų14176.6 Ų76.666%0.65951%0.511SS*.Hα-helixtrans-61.7-50.2173.7-77.9-173.10.100111.1A156 A157 A162 A163 V164A156-Q160 WeakPolarHBondContact O-CG 3.3Å; A156-Q160 PolarHBondContact O-N 3.19Å; A157-Q160 PolarHBondContact O-N 2.97Å; Q160-A162 VanDerWaalsContact C-N 3.33Å; Q160-A162 PolarHBondContact O-N 2.89Å; Q160-A163 WeakPolarHBondContact O-CB 3.39Å; Q160-A163 PolarHBondContact O-N 2.93Å; Q160-A163 VanDerWaalsContact O-N 3.09Å; Q160-V164 WeakPolarHBondContact O-CG2 3.44Å; Q160-V164 PolarHBondContact O-N 3.15Å
161M51.9Low54.3Low139 Ų13971.7 Ų71.769%0.68549%0.488SS*.Hα-helixtrans-56.1-43.1176.1-81.5-89.4-156.900112.6A157 V164 N165A157-M161 WeakPolarHBondContact O-CB 3.49Å; A157-M161 WeakPolarHBondContact O-CG 3.26Å; A157-M161 PolarHBondContact O-N 2.9Å; M161-V164 PolarHBondContact O-N 3.44Å; M161-N165 WeakPolarHBondContact O-CB 3.31Å; M161-N165 PolarHBondContact O-N 2.79Å
162A53.7Low55Low59 Ų5973 Ų7349%0.48849%0.487SS..Hα-helixtrans-64.3-38.9176.100000112.1A158 T159 Q160 N165 A166A158-A162 WeakPolarHBondContact O-CB 3.36Å; A158-A162 PolarHBondContact O-N 3.02Å; T159-A162 PolarHBondContact O-N 2.99Å; Q160-A162 VanDerWaalsContact C-N 3.33Å; Q160-A162 PolarHBondContact O-N 2.89Å; A162-N165 PolarHBondContact O-N 3.13Å; A162-A166 VanDerWaalsContact O-CB 3.3Å; A162-A166 WeakPolarHBondContact O-CB 3.25Å; A162-A166 PolarHBondContact O-N 3.45Å
163A52.9Low55.8Low53 Ų5374.5 Ų74.544%0.43848%0.483SS..Hα-helixtrans-66.6-38.8174.300000112.2T159 Q160 S167T159-A163 WeakPolarHBondContact O-CB 3.46Å; T159-A163 PolarHBondContact O-N 3.22Å; Q160-A163 WeakPolarHBondContact O-CB 3.39Å; Q160-A163 PolarHBondContact O-N 2.93Å; Q160-A163 VanDerWaalsContact O-N 3.09Å; A163-S167 VanDerWaalsContact O-CB 3.31Å; A163-S167 WeakPolarHBondContact O-CB 3.4Å; A163-S167 PolarHBondContact O-N 2.97Å; A163-S167 PolarHBondContact O-OG 3.29Å
164V58.3Low56.5Low77 Ų7773.7 Ų73.747%0.46747%0.471SS..Hα-helixtrans-68.2-41.4175.7-152.70000111Q160 M161 S167 N168Q160-V164 WeakPolarHBondContact O-CG2 3.44Å; Q160-V164 PolarHBondContact O-N 3.15Å; M161-V164 PolarHBondContact O-N 3.44Å; V164-S167 PolarHBondContact O-N 2.91Å; V164-N168 WeakPolarHBondContact O-CB 3.48Å; V164-N168 PolarHBondContact O-N 2.95Å
165N60Low57.5Low113 Ų11373.6 Ų73.660%0.60448%0.476SS*.Hα-helixtrans-65.2-41.1175.6-96.8-8.6000112.5M161 A162 S167 N168 A169M161-N165 WeakPolarHBondContact O-CB 3.31Å; M161-N165 PolarHBondContact O-N 2.79Å; A162-N165 PolarHBondContact O-N 3.13Å; N165-S167 VanDerWaalsContact C-N 3.32Å; N165-N168 PolarHBondContact O-N 3.39Å; N165-A169 VanDerWaalsContact O-CB 3.32Å; N165-A169 WeakPolarHBondContact O-CB 3.49Å; N165-A169 PolarHBondContact O-N 3.08Å
166A54.4Low58.6Low55 Ų5574 Ų7446%0.45547%0.47SS..Hα-helixtrans-63.8-39.6173.800000111.4A162 A169 F170A162-A166 VanDerWaalsContact O-CB 3.3Å; A162-A166 WeakPolarHBondContact O-CB 3.25Å; A162-A166 PolarHBondContact O-N 3.45Å; A166-A169 PolarHBondContact O-N 3.43Å; A166-F170 VanDerWaalsContact O-CB 3.3Å; A166-F170 WeakPolarHBondContact O-CB 3.35Å; A166-F170 PolarHBondContact O-N 3.4Å
167S58.2Low59.3Low50 Ų5075 Ų7535%0.3547%0.474SS..Hα-helixtrans-66.6-41.6176.1-58.80000112A163 V164 N165 F170 A171 L181A163-S167 VanDerWaalsContact O-CB 3.31Å; A163-S167 WeakPolarHBondContact O-CB 3.4Å; A163-S167 PolarHBondContact O-N 2.97Å; A163-S167 PolarHBondContact O-OG 3.29Å; V164-S167 PolarHBondContact O-N 2.91Å; N165-S167 VanDerWaalsContact C-N 3.32Å; S167-F170 PolarHBondContact O-N 3.22Å; S167-A171 VanDerWaalsContact O-CB 3.32Å; S167-A171 WeakPolarHBondContact O-CB 3.35Å; S167-A171 PolarHBondContact O-N 3.35Å; S167-L181 WeakPolarHBondContact O-CD1 3.3Å
168N59.5Low59.7Low86 Ų8676.2 Ų76.246%0.4648%0.484SS..Hα-helixtrans-66.9-40.5175.2-76.8-11.5000111.7V164 N165 F170 A171 N172V164-N168 WeakPolarHBondContact O-CB 3.48Å; V164-N168 PolarHBondContact O-N 2.95Å; N165-N168 PolarHBondContact O-N 3.39Å; N168-F170 VanDerWaalsContact C-N 3.34Å; N168-A171 PolarHBondContact O-N 2.79Å; N168-N172 WeakPolarHBondContact O-CB 3.26Å; N168-N172 VanDerWaalsContact O-CG 3.31Å; N168-N172 PolarHBondContact O-N 3.42Å; N168-N172 PolarHBondContact O-ND2 3.42Å; N168-N172 VanDerWaalsContact O-ND2 3.12Å
169A62.4Low60.1Low56 Ų5676.6 Ų76.646%0.46349%0.487SS..Hα-helixtrans-62.6-42.6173.600000111.2N165 A166 N172 L173N165-A169 VanDerWaalsContact O-CB 3.32Å; N165-A169 WeakPolarHBondContact O-CB 3.49Å; N165-A169 PolarHBondContact O-N 3.08Å; A166-A169 PolarHBondContact O-N 3.43Å; A169-N172 PolarHBondContact O-N 3.04Å; A169-L173 WeakPolarHBondContact O-CB 3.28Å; A169-L173 PolarHBondContact O-N 3.33Å
170F60.5Low60.2Low20 Ų2073.7 Ų73.79%0.08847%0.473CS..Hα-helixtrans-64.9-45.4175.3-172.7-72.3000111.7A166 S167 N168 N172 L173 T174 L176 L181 V184 V192A166-F170 VanDerWaalsContact O-CB 3.3Å; A166-F170 WeakPolarHBondContact O-CB 3.35Å; A166-F170 PolarHBondContact O-N 3.4Å; S167-F170 PolarHBondContact O-N 3.22Å; N168-F170 VanDerWaalsContact C-N 3.34Å; F170-N172 VanDerWaalsContact C-N 3.33Å; F170-N172 PolarHBondContact O-N 2.91Å; F170-L173 PolarHBondContact O-N 3.07Å; F170-L173 VanDerWaalsContact O-N 3.17Å; F170-T174 HydrophobicContact CD1-CG2 3.81Å; F170-T174 VanDerWaalsContact CD1-OG1 3.3Å; F170-T174 WeakPolarHBondContact CD1-OG1 3.37Å; F170-T174 HydrophobicContact CE1-CG2 3.58Å; F170-T174 WeakPolarHBondContact CE1-OG1 3.41Å; F170-T174 HydrophobicContact CE2-CG2 4.35Å; F170-T174 HydrophobicContact CG-CG2 4.3Å; F170-T174 HydrophobicContact CZ-CG2 3.88Å; F170-T174 WeakPolarHBondContact O-CB 3.3Å; F170-T174 WeakPolarHBondContact O-CG2 3.33Å; F170-T174 PolarHBondContact O-N 3.49Å; F170-T174 PolarHBondContact O-OG1 2.89Å; F170-L176 HydrophobicContact CE1-CD2 4.5Å; F170-L181 HydrophobicContact CD1-CD1 4.42Å; F170-L181 HydrophobicContact CD1-CD2 3.12Å; F170-L181 HydrophobicContact CD1-CG 4.4Å; F170-L181 HydrophobicContact CE1-CD2 3.21Å; F170-L181 HydrophobicContact CG-CD2 4.15Å; F170-L181 HydrophobicContact CZ-CD2 4.29Å; F170-V184 HydrophobicContact CZ-CG1 4.47Å; F170-V192 HydrophobicContact CD2-CB 3.72Å; F170-V192 HydrophobicContact CD2-CG1 3.39Å; F170-V192 HydrophobicContact CD2-CG2 4.2Å; F170-V192 HydrophobicContact CE2-CB 3.6Å; F170-V192 HydrophobicContact CE2-CG1 3.64Å; F170-V192 HydrophobicContact CE2-CG2 3.57Å; F170-V192 HydrophobicContact CG-CG1 4.42Å; F170-V192 HydrophobicContact CZ-CG2 4.5Å
171A63.4Low60.5Low23 Ų2368.3 Ų68.319%0.1945%0.449CS..Hα-helixtrans-59.6-43.817700000111.3S167 N168 G175 L176 L181S167-A171 VanDerWaalsContact O-CB 3.32Å; S167-A171 WeakPolarHBondContact O-CB 3.35Å; S167-A171 PolarHBondContact O-N 3.35Å; N168-A171 PolarHBondContact O-N 2.79Å; A171-G175 VanDerWaalsContact O-CA 3.28Å; A171-G175 WeakPolarHBondContact O-CA 3.43Å; A171-G175 PolarHBondContact O-N 3.3Å; A171-L176 WeakPolarHBondContact CB-O 3.39Å; A171-L181 HydrophobicContact CB-CD1 4.24Å
172N66Low61.1Low128 Ų12872.1 Ų72.168%0.68446%0.456SS*.Hα-helixtrans-65-37.6174.8-76.4-35.9000112.5N168 A169 F170N168-N172 WeakPolarHBondContact O-CB 3.26Å; N168-N172 VanDerWaalsContact O-CG 3.31Å; N168-N172 PolarHBondContact O-N 3.42Å; N168-N172 PolarHBondContact O-ND2 3.42Å; N168-N172 VanDerWaalsContact O-ND2 3.12Å; A169-N172 PolarHBondContact O-N 3.04Å; F170-N172 VanDerWaalsContact C-N 3.33Å; F170-N172 PolarHBondContact O-N 2.91Å
173L64.5Low61.3Low113 Ų11376 Ų7659%0.59247%0.469SS*.Hα-helixtrans-74.8-34.3-179-154.994.4000112.8A169 F170 V192A169-L173 WeakPolarHBondContact O-CB 3.28Å; A169-L173 PolarHBondContact O-N 3.33Å; F170-L173 PolarHBondContact O-N 3.07Å; F170-L173 VanDerWaalsContact O-N 3.17Å; L173-V192 HydrophobicContact CD2-CG1 4.38Å
174T67Low61.6Low53 Ų5374.6 Ų74.633%0.32545%0.454SS..Hα-helixtrans-107.2-13.4-170.362.80000113.7F170 L176F170-T174 HydrophobicContact CD1-CG2 3.81Å; F170-T174 VanDerWaalsContact CD1-OG1 3.3Å; F170-T174 WeakPolarHBondContact CD1-OG1 3.37Å; F170-T174 HydrophobicContact CE1-CG2 3.58Å; F170-T174 WeakPolarHBondContact CE1-OG1 3.41Å; F170-T174 HydrophobicContact CE2-CG2 4.35Å; F170-T174 HydrophobicContact CG-CG2 4.3Å; F170-T174 HydrophobicContact CZ-CG2 3.88Å; F170-T174 WeakPolarHBondContact O-CB 3.3Å; F170-T174 WeakPolarHBondContact O-CG2 3.33Å; F170-T174 PolarHBondContact O-N 3.49Å; F170-T174 PolarHBondContact O-OG1 2.89Å; T174-L176 HydrophobicContact CG2-CD1 4.39Å; T174-L176 PolarHBondContact O-N 2.92Å; T174-L176 VanDerWaalsContact OG1-CD1 3.24Å; T174-L176 WeakPolarHBondContact OG1-CD1 3.32Å; T174-L176 PolarHBondContact OG1-N 2.99Å
175G69.8Low61.8Low62 Ų6273.8 Ų73.864%0.63945%0.452SS*.  trans68.48-172.100000113.8A171A171-G175 VanDerWaalsContact O-CA 3.28Å; A171-G175 WeakPolarHBondContact O-CA 3.43Å; A171-G175 PolarHBondContact O-N 3.3Å
176L69.9Low61.8Low63 Ų6372 Ų7233%0.3345%0.453SS..  trans-74134.2177.9-85.986.8000110.5F170 A171 T174 A180 L181F170-L176 HydrophobicContact CE1-CD2 4.5Å; A171-L176 WeakPolarHBondContact CB-O 3.39Å; T174-L176 HydrophobicContact CG2-CD1 4.39Å; T174-L176 PolarHBondContact O-N 2.92Å; T174-L176 VanDerWaalsContact OG1-CD1 3.24Å; T174-L176 WeakPolarHBondContact OG1-CD1 3.32Å; T174-L176 PolarHBondContact OG1-N 2.99Å; L176-A180 HydrophobicContact CB-CB 4.14Å; L176-A180 HydrophobicContact CD2-CB 3.7Å; L176-A180 HydrophobicContact CG-CB 4.11Å; L176-L181 HydrophobicContact CB-CD2 3.99Å; L176-L181 HydrophobicContact CD2-CD2 4.37Å
177S63.8Low61.9Low74 Ų7472.9 Ų72.952%0.51746%0.46SS..  trans-65.5154.8170.7740000110.6A179 A180 L181S177-A179 PolarHBondContact O-N 3.4Å; S177-A180 PolarHBondContact O-N 2.83Å; S177-L181 PolarHBondContact O-N 2.67Å
178A58.4Low62Low77 Ų7773.9 Ų73.964%0.63646%0.459SS*.THydrogen-bonded Turntrans-54.7-24.7177.100000113.6
179A59.6Low62.2Low67 Ų6772.8 Ų72.855%0.55446%0.456SS*.THydrogen-bonded Turntrans-71.4-37.1174.900000112.6S177 L181 R182S177-A179 PolarHBondContact O-N 3.4Å; A179-L181 VanDerWaalsContact C-N 3.29Å; A179-L181 PolarHBondContact O-N 3.28Å; A179-R182 PolarHBondContact O-N 2.94Å
180A58.4Low62.4Low38 Ų3874.6 Ų74.631%0.31446%0.461SS..G310 helixtrans-73-22.8-179.500000112.6L176 S177 R182L176-A180 HydrophobicContact CB-CB 4.14Å; L176-A180 HydrophobicContact CD2-CB 3.7Å; L176-A180 HydrophobicContact CG-CB 4.11Å; S177-A180 PolarHBondContact O-N 2.83Å; A180-R182 VanDerWaalsContact C-N 3.27Å; A180-R182 PolarHBondContact O-N 3.38Å
181L59Low62.5Low29 Ų2976.4 Ų76.415%0.15248%0.48CS..G310 helixtrans-70.4-19.4175.4-57.9-176000114S167 F170 A171 L176 S177 A179 N183 V184S167-L181 WeakPolarHBondContact O-CD1 3.3Å; F170-L181 HydrophobicContact CD1-CD1 4.42Å; F170-L181 HydrophobicContact CD1-CD2 3.12Å; F170-L181 HydrophobicContact CD1-CG 4.4Å; F170-L181 HydrophobicContact CE1-CD2 3.21Å; F170-L181 HydrophobicContact CG-CD2 4.15Å; F170-L181 HydrophobicContact CZ-CD2 4.29Å; A171-L181 HydrophobicContact CB-CD1 4.24Å; L176-L181 HydrophobicContact CB-CD2 3.99Å; L176-L181 HydrophobicContact CD2-CD2 4.37Å; S177-L181 PolarHBondContact O-N 2.67Å; A179-L181 VanDerWaalsContact C-N 3.29Å; A179-L181 PolarHBondContact O-N 3.28Å; L181-N183 PolarHBondContact O-N 3.48Å; L181-V184 PolarHBondContact O-N 3.39Å
182R63.3Low62.5Low218 Ų21877.3 Ų77.382%0.82348%0.483SS*.G310 helixtrans-70.8-16.5-178.5-63.1-174.2174.3-175.2-2.5113.6A179 A180A179-R182 PolarHBondContact O-N 2.94Å; A180-R182 VanDerWaalsContact C-N 3.27Å; A180-R182 PolarHBondContact O-N 3.38Å
183N58.9Low62.6Low142 Ų14273.7 Ų73.776%0.75947%0.471SS*.G310 helixtrans-104.32.8179.9-67.6-20.5000113.5L181L181-N183 PolarHBondContact O-N 3.48Å
184V59Low62.8Low22 Ų2271 Ų7113%0.13347%0.465CS..SBendtrans-84.8122.8-179.9178.60000108.4F170 L181 Q188 T189F170-V184 HydrophobicContact CZ-CG1 4.47Å; L181-V184 PolarHBondContact O-N 3.39Å; V184-Q188 HydrophobicContact CG1-CB 3.47Å; V184-Q188 VanDerWaalsContact CG1-CB 3.47Å; V184-T189 HydrophobicContact CB-CG2 4.3Å; V184-T189 HydrophobicContact CG1-CG2 3.72Å
185S62.7Low63Low60 Ų6072.4 Ų72.442%0.4247%0.473SS..  trans-61.6150.4-179.480.90000111.3A187 Q188 T189S185-A187 PolarHBondContact O-N 2.92Å; S185-A187 VanDerWaalsContact O-N 3.09Å; S185-Q188 WeakPolarHBondContact O-CB 3.3Å; S185-Q188 PolarHBondContact O-N 3.48Å; S185-Q188 PolarHBondContact OG-N 3.42Å; S185-T189 PolarHBondContact O-N 3.08Å; S185-T189 VanDerWaalsContact O-N 3.09Å
186A59.6Low63.1Low77 Ų7771.6 Ų71.664%0.63646%0.46SS*.Hα-helixtrans-50.2-38.5175.800000111.9Q188 T189 T190A186-Q188 PolarHBondContact O-N 3.45Å; A186-T189 WeakPolarHBondContact CA-OG1 3.31Å; A186-T189 PolarHBondContact O-N 3.44Å; A186-T189 PolarHBondContact O-OG1 2.82Å; A186-T190 PolarHBondContact O-N 3.41Å; A186-T190 PolarHBondContact O-OG1 2.72Å
187A56.2Low63.2Low72 Ų7272 Ų7260%0.59547%0.468SS*.Hα-helixtrans-62.1-39.1176.600000113.4S185 T190 A191S185-A187 PolarHBondContact O-N 2.92Å; S185-A187 VanDerWaalsContact O-N 3.09Å; A187-T190 PolarHBondContact O-N 2.79Å; A187-A191 WeakPolarHBondContact O-CB 3.01Å; A187-A191 PolarHBondContact O-N 3.28Å
188Q59.7Low63.5Low71 Ų7172 Ų7233%0.33247%0.465SS..Hα-helixtrans-69.5-39.2176.4-71.3174.610.700111.2L106 V184 S185 A186 A191 V192L106-Q188 VanDerWaalsContact CD2-OE1 3.28Å; V184-Q188 HydrophobicContact CG1-CB 3.47Å; V184-Q188 VanDerWaalsContact CG1-CB 3.47Å; S185-Q188 WeakPolarHBondContact O-CB 3.3Å; S185-Q188 PolarHBondContact O-N 3.48Å; S185-Q188 PolarHBondContact OG-N 3.42Å; A186-Q188 PolarHBondContact O-N 3.45Å; Q188-A191 PolarHBondContact O-N 3.35Å; Q188-V192 WeakPolarHBondContact O-CG2 3.43Å; Q188-V192 PolarHBondContact O-N 2.86Å; Q188-V192 VanDerWaalsContact O-N 3.12Å
189T63.8Low64.2Low63 Ų6372 Ų7239%0.38746%0.457SS..Hα-helixtrans-64.4-39.6174.664.60000112.4V184 S185 A186 A193V184-T189 HydrophobicContact CB-CG2 4.3Å; V184-T189 HydrophobicContact CG1-CG2 3.72Å; S185-T189 PolarHBondContact O-N 3.08Å; S185-T189 VanDerWaalsContact O-N 3.09Å; A186-T189 WeakPolarHBondContact CA-OG1 3.31Å; A186-T189 PolarHBondContact O-N 3.44Å; A186-T189 PolarHBondContact O-OG1 2.82Å; T189-A193 VanDerWaalsContact O-CB 3.3Å; T189-A193 WeakPolarHBondContact O-CB 3.3Å; T189-A193 PolarHBondContact O-N 2.91Å
190T68Low64.7Low94 Ų9471.4 Ų71.458%0.57745%0.453SS*.Hα-helixtrans-66.6-42.6176.7-54.20000112.1A186 A187 V192 A193 A194A186-T190 PolarHBondContact O-N 3.41Å; A186-T190 PolarHBondContact O-OG1 2.72Å; A187-T190 PolarHBondContact O-N 2.79Å; T190-V192 PolarHBondContact O-N 2.88Å; T190-A193 PolarHBondContact O-N 3.3Å; T190-A194 WeakPolarHBondContact O-CB 3.48Å; T190-A194 PolarHBondContact O-N 2.89Å
191A62.6Low65.3Low58 Ų5873.3 Ų73.348%0.47946%0.46SS..Hα-helixtrans-61.4-44.5177.700000111.5A187 Q188 A194 V195A187-A191 WeakPolarHBondContact O-CB 3.01Å; A187-A191 PolarHBondContact O-N 3.28Å; Q188-A191 PolarHBondContact O-N 3.35Å; A191-A194 PolarHBondContact O-N 3.09Å; A191-V195 WeakPolarHBondContact O-CG2 3.37Å; A191-V195 PolarHBondContact O-N 2.91Å; A191-V195 VanDerWaalsContact O-N 3.08Å
192V62.2Low65.8Low42 Ų4276.7 Ų76.726%0.25548%0.478SS..Hα-helixtrans-70.8-37178.7179.10000111.9F170 L173 Q188 T190 A194 V195 A196F170-V192 HydrophobicContact CD2-CB 3.72Å; F170-V192 HydrophobicContact CD2-CG1 3.39Å; F170-V192 HydrophobicContact CD2-CG2 4.2Å; F170-V192 HydrophobicContact CE2-CB 3.6Å; F170-V192 HydrophobicContact CE2-CG1 3.64Å; F170-V192 HydrophobicContact CE2-CG2 3.57Å; F170-V192 HydrophobicContact CG-CG1 4.42Å; F170-V192 HydrophobicContact CZ-CG2 4.5Å; L173-V192 HydrophobicContact CD2-CG1 4.38Å; Q188-V192 WeakPolarHBondContact O-CG2 3.43Å; Q188-V192 PolarHBondContact O-N 2.86Å; Q188-V192 VanDerWaalsContact O-N 3.12Å; T190-V192 PolarHBondContact O-N 2.88Å; V192-A194 VanDerWaalsContact C-N 3.35Å; V192-A194 PolarHBondContact O-N 2.97Å; V192-V195 PolarHBondContact O-N 3.48Å; V192-A196 WeakPolarHBondContact O-CB 3.44Å; V192-A196 PolarHBondContact O-N 2.9Å
193A68Low66.1Low53 Ų5371.5 Ų71.544%0.43846%0.463SS..Hα-helixtrans-63-39173.400000112.5T189 T190 A196 S197T189-A193 VanDerWaalsContact O-CB 3.3Å; T189-A193 WeakPolarHBondContact O-CB 3.3Å; T189-A193 PolarHBondContact O-N 2.91Å; T190-A193 PolarHBondContact O-N 3.3Å; A193-A196 PolarHBondContact O-N 2.78Å; A193-S197 WeakPolarHBondContact O-CB 3.41Å; A193-S197 PolarHBondContact O-N 2.98Å
194A69.1Low66.6Low55 Ų5570.5 Ų70.546%0.45545%0.453SS..Hα-helixtrans-64.1-44.917500000111.5T190 A191 V192 S197 T198T190-A194 WeakPolarHBondContact O-CB 3.48Å; T190-A194 PolarHBondContact O-N 2.89Å; A191-A194 PolarHBondContact O-N 3.09Å; V192-A194 VanDerWaalsContact C-N 3.35Å; V192-A194 PolarHBondContact O-N 2.97Å; A194-S197 PolarHBondContact O-N 3.5Å; A194-T198 WeakPolarHBondContact O-CG2 3.39Å; A194-T198 PolarHBondContact O-N 3.36Å
195V71.7Confident66.8Low84 Ų8479.6 Ų79.651%0.50949%0.485SS..Hα-helixtrans-61.5-46.4175175.30000110.6A191 V192 S197 T198 V199A191-V195 WeakPolarHBondContact O-CG2 3.37Å; A191-V195 PolarHBondContact O-N 2.91Å; A191-V195 VanDerWaalsContact O-N 3.08Å; V192-V195 PolarHBondContact O-N 3.48Å; V195-S197 VanDerWaalsContact C-N 3.31Å; V195-S197 PolarHBondContact O-N 3.42Å; V195-T198 PolarHBondContact O-N 2.94Å; V195-T198 VanDerWaalsContact O-N 3.11Å; V195-T198 PolarHBondContact O-OG1 3.44Å; V195-V199 HydrophobicContact CG1-CG2 4.44Å; V195-V199 WeakPolarHBondContact O-CG2 3.47Å; V195-V199 PolarHBondContact O-N 3.41Å
196A71.6Confident67Low44 Ų4483.1 Ų83.136%0.36450%0.498SS..Hα-helixtrans-59-40.5177.200000112.4V192 A193 V199 A200V192-A196 WeakPolarHBondContact O-CB 3.44Å; V192-A196 PolarHBondContact O-N 2.9Å; A193-A196 PolarHBondContact O-N 2.78Å; A196-V199 PolarHBondContact O-N 2.92Å; A196-A200 WeakPolarHBondContact O-CB 3.43Å; A196-A200 PolarHBondContact O-N 3.04Å
197S71.3Confident67.2Low72 Ų7286.3 Ų86.350%0.50350%0.502SS..Hα-helixtrans-63.9-40.3174.9-172.40000112.4A193 A194 V195 A200 T201A193-S197 WeakPolarHBondContact O-CB 3.41Å; A193-S197 PolarHBondContact O-N 2.98Å; A194-S197 PolarHBondContact O-N 3.5Å; V195-S197 VanDerWaalsContact C-N 3.31Å; V195-S197 PolarHBondContact O-N 3.42Å; S197-A200 PolarHBondContact O-N 2.85Å; S197-T201 WeakPolarHBondContact O-CB 3.35Å; S197-T201 WeakPolarHBondContact O-CG2 3.46Å; S197-T201 PolarHBondContact O-N 2.99Å; S197-T201 PolarHBondContact O-OG1 2.66Å
198T70.6Confident67.5Low73 Ų7387.1 Ų87.145%0.44850%0.495SS..Hα-helixtrans-66.1-39.7174.962.80000112.4A194 V195 T201 I202A194-T198 WeakPolarHBondContact O-CG2 3.39Å; A194-T198 PolarHBondContact O-N 3.36Å; V195-T198 PolarHBondContact O-N 2.94Å; V195-T198 VanDerWaalsContact O-N 3.11Å; V195-T198 PolarHBondContact O-OG1 3.44Å; T198-T201 WeakPolarHBondContact CA-OG1 3.49Å; T198-T201 PolarHBondContact O-N 3.16Å; T198-T201 PolarHBondContact O-OG1 3.12Å; T198-I202 WeakPolarHBondContact O-CB 3.46Å; T198-I202 WeakPolarHBondContact O-CD1 3.48Å; T198-I202 WeakPolarHBondContact O-CG1 3.49Å; T198-I202 PolarHBondContact O-N 2.96Å
199V71.9Confident66.9Low78 Ų7886.4 Ų86.447%0.47351%0.507SS..Hα-helixtrans-65.9-43.4176175.40000110.7V195 A196 I202 Q203V195-V199 HydrophobicContact CG1-CG2 4.44Å; V195-V199 WeakPolarHBondContact O-CG2 3.47Å; V195-V199 PolarHBondContact O-N 3.41Å; A196-V199 PolarHBondContact O-N 2.92Å; V199-I202 PolarHBondContact O-N 2.91Å; V199-Q203 PolarHBondContact O-N 3.4Å
200A71Confident66.3Low55 Ų5590.2 Ų90.246%0.45553%0.525SS..Hα-helixtrans-64.1-40.817700000112.3A196 S197 Q203 H204A196-A200 WeakPolarHBondContact O-CB 3.43Å; A196-A200 PolarHBondContact O-N 3.04Å; S197-A200 PolarHBondContact O-N 2.85Å; A200-Q203 PolarHBondContact O-N 2.86Å; A200-H204 VanDerWaalsContact O-CB 3.29Å; A200-H204 WeakPolarHBondContact O-CB 3.28Å; A200-H204 PolarHBondContact O-N 3.28Å
201T70.5Confident65.3Low78 Ų7896.3 Ų96.348%0.47954%0.537SS..Hα-helixtrans-69.1-35.2175.8500000112.5S197 T198 R205S197-T201 WeakPolarHBondContact O-CB 3.35Å; S197-T201 WeakPolarHBondContact O-CG2 3.46Å; S197-T201 PolarHBondContact O-N 2.99Å; S197-T201 PolarHBondContact O-OG1 2.66Å; T198-T201 WeakPolarHBondContact CA-OG1 3.49Å; T198-T201 PolarHBondContact O-N 3.16Å; T198-T201 PolarHBondContact O-OG1 3.12Å; T201-R205 WeakPolarHBondContact O-CB 3.4Å; T201-R205 PolarHBondContact O-N 3.01Å
202I70.9Confident64.3Low100 Ų100102.5 Ų102.551%0.51356%0.556SS.*Hα-helixtrans-65.9-45.1171.9-69.3164.7000110.3T198 V199 R205 L206T198-I202 WeakPolarHBondContact O-CB 3.46Å; T198-I202 WeakPolarHBondContact O-CD1 3.48Å; T198-I202 WeakPolarHBondContact O-CG1 3.49Å; T198-I202 PolarHBondContact O-N 2.96Å; V199-I202 PolarHBondContact O-N 2.91Å; I202-R205 PolarHBondContact O-N 3.22Å; I202-L206 HydrophobicContact CG2-CD1 3.72Å; I202-L206 HydrophobicContact CG2-CG 4.4Å; I202-L206 WeakPolarHBondContact O-CB 3.48Å; I202-L206 WeakPolarHBondContact O-CD1 3.28Å; I202-L206 VanDerWaalsContact O-CG 3.23Å; I202-L206 WeakPolarHBondContact O-CG 3.41Å; I202-L206 PolarHBondContact O-N 3.41Å
203Q69.6Low63.2Low109 Ų109105.7 Ų105.751%0.50958%0.581SS.*Hα-helixtrans-61.3-46.4174-83.9-156.3-30.800111.8V199 A200 R205 L206 M207V199-Q203 PolarHBondContact O-N 3.4Å; A200-Q203 PolarHBondContact O-N 2.86Å; Q203-R205 VanDerWaalsContact C-N 3.3Å; Q203-R205 PolarHBondContact O-N 3.39Å; Q203-L206 CarbonylContact O-C 3.6Å; Q203-L206 PolarHBondContact O-N 2.82Å; Q203-L206 VanDerWaalsContact O-N 3.08Å; Q203-M207 WeakPolarHBondContact O-CB 3.48Å; Q203-M207 WeakPolarHBondContact O-CG 3.36Å; Q203-M207 PolarHBondContact O-N 3.47Å
204H68.3Low62.3Low120 Ų120110.2 Ų110.256%0.55660%0.597SS**Hα-helixtrans-60.3-39.7177.4-170.6-110.4000111.6A200 M207 I208A200-H204 VanDerWaalsContact O-CB 3.29Å; A200-H204 WeakPolarHBondContact O-CB 3.28Å; A200-H204 PolarHBondContact O-N 3.28Å; H204-M207 PolarHBondContact O-N 2.83Å; H204-I208 WeakPolarHBondContact CE1-CD1 3.43Å; H204-I208 WeakPolarHBondContact ND1-CD1 3.41Å; H204-I208 VanDerWaalsContact NE2-CD1 3.28Å; H204-I208 WeakPolarHBondContact NE2-CD1 3.46Å; H204-I208 WeakPolarHBondContact O-CB 3.31Å; H204-I208 VanDerWaalsContact O-CG1 3.28Å; H204-I208 WeakPolarHBondContact O-CG1 3.33Å; H204-I208 PolarHBondContact O-N 3.22Å
205R63.3Low61.6Low213 Ų213112.8 Ų112.880%0.80461%0.609SS**Hα-helixtrans-68.9-34.1173.4-87.4-164.8169.5-175.6-0.5113.8T201 I202 Q203 G209T201-R205 WeakPolarHBondContact O-CB 3.4Å; T201-R205 PolarHBondContact O-N 3.01Å; I202-R205 PolarHBondContact O-N 3.22Å; Q203-R205 VanDerWaalsContact C-N 3.3Å; Q203-R205 PolarHBondContact O-N 3.39Å; R205-G209 PolarHBondContact O-N 2.73Å
206L67.7Low60.7Low134 Ų134115.1 Ų115.170%0.70263%0.626SS**Hα-helixtrans-71.4-36.1175.2-72.8164.2000111.5I202 Q203I202-L206 HydrophobicContact CG2-CD1 3.72Å; I202-L206 HydrophobicContact CG2-CG 4.4Å; I202-L206 WeakPolarHBondContact O-CB 3.48Å; I202-L206 WeakPolarHBondContact O-CD1 3.28Å; I202-L206 VanDerWaalsContact O-CG 3.23Å; I202-L206 WeakPolarHBondContact O-CG 3.41Å; I202-L206 PolarHBondContact O-N 3.41Å; Q203-L206 CarbonylContact O-C 3.6Å; Q203-L206 PolarHBondContact O-N 2.82Å; Q203-L206 VanDerWaalsContact O-N 3.08Å
207M63.7Low59.6Low145 Ų145117.8 Ų117.871%0.71465%0.648SS**Hα-helixtrans-74.2-30.7177.1-67.7169.7167.800112.8Q203 H204 G209Q203-M207 WeakPolarHBondContact O-CB 3.48Å; Q203-M207 WeakPolarHBondContact O-CG 3.36Å; Q203-M207 PolarHBondContact O-N 3.47Å; H204-M207 PolarHBondContact O-N 2.83Å; M207-G209 VanDerWaalsContact C-N 3.27Å; M207-G209 PolarHBondContact O-N 2.84Å
208I62.5Low58.9Low88 Ų88117.6 Ų117.645%0.45166%0.657SS.*THydrogen-bonded Turntrans-89.510.7178.2-65.1174.6000112.4H204 N210H204-I208 WeakPolarHBondContact CE1-CD1 3.43Å; H204-I208 WeakPolarHBondContact ND1-CD1 3.41Å; H204-I208 VanDerWaalsContact NE2-CD1 3.28Å; H204-I208 WeakPolarHBondContact NE2-CD1 3.46Å; H204-I208 WeakPolarHBondContact O-CB 3.31Å; H204-I208 VanDerWaalsContact O-CG1 3.28Å; H204-I208 WeakPolarHBondContact O-CG1 3.33Å; H204-I208 PolarHBondContact O-N 3.22Å; I208-N210 PolarHBondContact O-N 3.27Å
209G46Very low58.4Low56 Ų56120.2 Ų120.258%0.57768%0.675SS**THydrogen-bonded Turntrans-49.3108.3170.700000112.2R205 M207R205-G209 PolarHBondContact O-N 2.73Å; M207-G209 VanDerWaalsContact C-N 3.27Å; M207-G209 PolarHBondContact O-N 2.84Å
210N51.6Low57.3Low144 Ų144122.6 Ų122.677%0.7769%0.693SS**THydrogen-bonded Turntrans84.247.7159.6-147.886.5000119.4I208I208-N210 PolarHBondContact O-N 3.27Å
211R47.2Very low56.6Low221 Ų221125.7 Ų125.783%0.83471%0.711SS**  trans-118.718.6164.1-80.8-157.2165.6-162.5-3.4116.5S213R211-S213 PolarHBondContact O-N 2.95Å
212Q42.1Very low55.2Low188 Ų188131.3 Ų131.388%0.87973%0.732SS**  trans-97.972.7176-67.3176.66.600111.4
213S39.8Very low54Low110 Ų110130 Ų13077%0.76974%0.743SS**  trans-179.473.7156.960.90000110.2R211R211-S213 PolarHBondContact O-N 2.95Å
214L48.2Very low52.8Low147 Ų147129.5 Ų129.577%0.7775%0.752SS**  trans-136.5117.4168.5-91.7149.1000107.6
215P53.6Low52Low109 Ų109130.9 Ų130.971%0.70876%0.763SS**PPolyproline II helixtrans-70.3157.6172.530.9-32.3000110.1A217P215-A217 PolarHBondContact O-N 3.39Å
216P53.8Low51.1Low133 Ų133129.2 Ų129.286%0.86477%0.765SS**PPolyproline II helixtrans-70.8116.8-177.529.5-31.8000109.8
217A48.9Very low50.4Low101 Ų101130.9 Ų130.984%0.83577%0.774SS**PPolyproline II helixtrans-76.2132171.200000110P215P215-A217 PolarHBondContact O-N 3.39Å
218G56.1Low49.4Very low67 Ų67127.5 Ų127.569%0.69178%0.776SS**  trans-68.7176.1175.700000113.9
219P60.1Low48.4Very low128 Ų128126.8 Ų126.883%0.83179%0.79SS**PPolyproline II helixtrans-75.2154.4-167.132-34.6000112.8
220P48.7Very low48.6Very low129 Ų129133.9 Ų133.984%0.83881%0.806SS**PPolyproline II helixtrans-80.2132-174.533.1-31000110.5
221S55.3Low48.5Very low120 Ų120133.5 Ų133.584%0.83981%0.811SS**PPolyproline II helixtrans-96.9127.2165.3-175.90000108.7
222E42.6Very low48.5Very low195 Ų195126.4 Ų126.491%0.91181%0.807SS**PPolyproline II helixtrans-58.5146.7172-63.2-174.8145.700111.7
223G45.9Very low48.9Very low73 Ų73125.3 Ų125.375%0.75381%0.807SS**  trans-179.880.817900000110.3
224S43.6Very low49Very low99 Ų99122.7 Ų122.769%0.69280%0.797SS**  trans-46.2140.8163.7470000112.3
225N50.6Low49Very low148 Ų148123.3 Ų123.379%0.79180%0.801SS**  trans-178.1117.4130.7-80.3-28.9000109.8
226E45.1Very low49Very low179 Ų179125 Ų12584%0.83680%0.804SS**  trans-41.5134.5157.451.9-135.582.700115.4
227D52.8Low49.2Very low169 Ų169124.1 Ų124.190%0.90479%0.792SS**  trans-176.2146.9130-164.926.3000111
228G43.4Very low49.6Very low73 Ų73125 Ų12575%0.75379%0.793SS**  trans-75.6153.1-164.600000116.7
229G40.9Very low49.5Very low73 Ų73126.9 Ų126.975%0.75380%0.795SS**  trans-178.7105.117000000113.2
230F50.3Low49.3Very low205 Ų205123 Ų12390%0.89977%0.774SS**  trans3.1132.5163.4-73.1-95.7000120.2G232F230-G232 PolarHBondContact O-N 3.14Å
231P49.7Very low49.9Very low136 Ų136121.7 Ų121.788%0.88377%0.774SS**  trans-77.193.1168.932.3-29.8000109.9D233P231-D233 PolarHBondContact O-N 2.82Å
232G46.2Very low50.1Low72 Ų72125.6 Ų125.674%0.74278%0.776SS**  trans-69.5121.5167.300000110.8F230 G234F230-G232 PolarHBondContact O-N 3.14Å; G232-G234 PolarHBondContact O-N 3.24Å
233D52.2Low51.5Low166 Ų166125.9 Ų125.989%0.88877%0.769SS**  trans-60.4122.5174.3-173.550.8000111.5P231P231-D233 PolarHBondContact O-N 2.82Å
234G41.2Very low53Low54 Ų54134.2 Ų134.256%0.55778%0.777SS**  trans49.395.3142.300000121G232G232-G234 PolarHBondContact O-N 3.24Å
235D48.7Very low54.5Low161 Ų161138 Ų13886%0.86178%0.776SS**  trans-158.369.2149.7-88.5-44.7000112.1
236D52.3Low56.2Low144 Ų144135.5 Ų135.577%0.7777%0.771SS**  trans-10268.2165.2-167.657.3000110.2
237D59.2Low58.3Low114 Ų114137 Ų13761%0.6177%0.769SS**  trans-123.26.3165.8-144.1-113.3000112.2R245D237-R245 IonicContact OD1-NH2 3.56Å; D237-R245 PolarHBondContact OD1-NH2 3.15Å
238S56Low60Low121 Ų121130.9 Ų130.985%0.84674%0.737SS**SBendtrans-95.4-4-170.9-67.10000116.4
239S55.2Low62.4Low105 Ų105134 Ų13473%0.73474%0.736SS**SBendtrans-105.75-177.974.70000115.9
240A56Low65Low47 Ų47133.3 Ų133.339%0.38871%0.713SS.*  trans-122.931.9-167.100000116.2K242 R243A240-K242 PolarHBondContact O-N 3.11Å; A240-R243 HydrophobicContact CB-CB 4.46Å; A240-R243 PolarHBondContact O-N 3.44Å
241A60.3Low67.2Low102 Ų102128.7 Ų128.784%0.84370%0.698SS**THydrogen-bonded Turntrans-56.98.8-173.400000118
242K60.6Low69.4Low201 Ų201125.7 Ų125.787%0.87468%0.68SS**THydrogen-bonded Turntrans-131.12.9170.3-100.695.6-178.4-178.40115.3A240A240-K242 PolarHBondContact O-N 3.11Å
243R72.2Confident71.8Confident202 Ų202127.9 Ų127.976%0.76267%0.666SS**SBendtrans-99.5122.6-180-67.2-176.365.1-163.2-2110.7A240 R245A240-R243 HydrophobicContact CB-CB 4.46Å; A240-R243 PolarHBondContact O-N 3.44Å; R243-R245 PolarHBondContact O-N 3.04Å
244R76.1Confident74Confident247 Ų247121.2 Ų121.293%0.93263%0.629SS**PPolyproline II helixtrans-55.4131.3172.4-70.6175.668.8176.43.2109.4
245R76Confident76.7Confident178 Ų178122.1 Ų122.167%0.67262%0.621SS**PPolyproline II helixtrans-58.5135.9178.7-168.9169.9-77.6159.6-3.9110.7D237 R243D237-R245 IonicContact OD1-NH2 3.56Å; D237-R245 PolarHBondContact OD1-NH2 3.15Å; R243-R245 PolarHBondContact O-N 3.04Å
246S85.6Confident79Confident97 Ų97119.5 Ų119.568%0.67860%0.603SS**PPolyproline II helixtrans-58.1139.8-178-171.70000112R286S246-R286 PolarHBondContact O-NH1 2.92Å; S246-R286 PolarHBondContact O-NH2 3.26Å
247R88.5Confident81.1Confident211 Ų211113.1 Ų113.180%0.79657%0.569SS**PPolyproline II helixtrans-76.3132.1178.6-179.9174.7178.1148.6-1.2109.8
248T90Very high83Confident39 Ų39107.7 Ų107.724%0.23954%0.54CS..PPolyproline II helixtrans-79.8132.5172.7-57.60000110F250 L282 R286T248-F250 HydrophobicContact CG2-CD1 4.14Å; T248-F250 HydrophobicContact CG2-CE1 3.82Å; T248-F250 HydrophobicContact CG2-CE2 4.42Å; T248-F250 HydrophobicContact CG2-CZ 3.98Å; T248-L282 HydrophobicContact CG2-CD2 4.09Å; T248-R286 WeakPolarHBondContact OG1-CD 3.34Å; T248-R286 PolarHBondContact OG1-NE 3Å; T248-R286 PolarHBondContact OG1-NH1 2.92Å
249N94.1Very high85Confident138 Ų138104.8 Ų104.874%0.73851%0.513SS*.PPolyproline II helixtrans-101.2126.7165.5-63.8-61000107.7
250F94.2Very high87Confident60 Ų60106.7 Ų106.726%0.26350%0.504SS..PPolyproline II helixtrans-94.4139177.1-58-79.2000109.3T248 L255 L258 L282 W290T248-F250 HydrophobicContact CG2-CD1 4.14Å; T248-F250 HydrophobicContact CG2-CE1 3.82Å; T248-F250 HydrophobicContact CG2-CE2 4.42Å; T248-F250 HydrophobicContact CG2-CZ 3.98Å; F250-L255 HydrophobicContact CB-CD1 4.42Å; F250-L255 HydrophobicContact CB-CD2 3.66Å; F250-L255 HydrophobicContact CB-CG 3.78Å; F250-L255 HydrophobicContact CD2-CD2 4.23Å; F250-L255 HydrophobicContact CG-CD2 4.08Å; F250-L258 HydrophobicContact CD1-CD1 4.16Å; F250-L258 HydrophobicContact CE1-CD1 4.3Å; F250-L282 HydrophobicContact CD1-CD1 3.78Å; F250-L282 HydrophobicContact CD1-CD2 4.18Å; F250-L282 HydrophobicContact CE1-CD1 3.71Å; F250-L282 HydrophobicContact CE1-CD2 4.16Å; F250-W290 AromaticContact CE2-CD1 3.72Å; F250-W290 HydrophobicContact CZ-CB 4.16Å; F250-W290 AromaticContact CZ-CD1 3.88Å; F250-W290 HydrophobicContact CZ-CG 4.4Å
251N96.2Very high88.9Confident108 Ų108105.2 Ų105.258%0.57849%0.492SS*.PPolyproline II helixtrans-74160.8170.6-162.73.7000110.8W253 Q254 L255N251-W253 PolarHBondContact O-N 3.05Å; N251-Q254 HydrophobicContact CB-CG 4.15Å; N251-Q254 WeakPolarHBondContact O-CB 3.41Å; N251-Q254 PolarHBondContact O-N 2.94Å; N251-Q254 VanDerWaalsContact O-N 3.17Å; N251-L255 WeakPolarHBondContact O-CG 3.45Å; N251-L255 PolarHBondContact O-N 2.88Å
252S96.5Very high90.7Very high72 Ų72100.8 Ų100.850%0.50345%0.454SS..Hα-helixtrans-56.2-50179.3-169.30000111.6Q254 L255 E256S252-Q254 VanDerWaalsContact C-N 3.3Å; S252-Q254 PolarHBondContact O-N 3.44Å; S252-L255 WeakPolarHBondContact O-CB 3.48Å; S252-L255 PolarHBondContact O-N 2.99Å; S252-E256 WeakPolarHBondContact O-CG 3.36Å; S252-E256 PolarHBondContact O-N 2.86Å; S252-E256 PolarHBondContact OG-OE1 2.8Å
253W97.2Very high92.4Very high118 Ų11895.5 Ų95.545%0.44744%0.442SS..Hα-helixtrans-58.6-39.7178.1170.479.7000112.9N251 L255 E256 E257 R279 L280N251-W253 PolarHBondContact O-N 3.05Å; W253-L255 VanDerWaalsContact C-N 3.33Å; W253-L255 PolarHBondContact O-N 3.46Å; W253-E256 PolarHBondContact O-N 2.94Å; W253-E257 WeakPolarHBondContact O-CB 3.32Å; W253-E257 PolarHBondContact O-N 3.17Å; W253-R279 VanDerWaalsContact CH2-O 3.29Å; W253-R279 WeakPolarHBondContact CH2-O 3.37Å; W253-L280 HydrophobicContact CE3-CD2 4.08Å; W253-L280 HydrophobicContact CH2-CD2 3.5Å; W253-L280 VanDerWaalsContact CH2-CD2 3.5Å; W253-L280 HydrophobicContact CZ2-CD2 4.04Å; W253-L280 HydrophobicContact CZ3-CD2 3.5Å; W253-L280 VanDerWaalsContact CZ3-CD2 3.5Å
254Q97.7Very high93.5Very high27 Ų2790.1 Ų90.113%0.12644%0.441CS..Hα-helixtrans-63.5-41175.7-66.9173.1-3200111.1N251 S252 E257 L258 L280N251-Q254 HydrophobicContact CB-CG 4.15Å; N251-Q254 WeakPolarHBondContact O-CB 3.41Å; N251-Q254 PolarHBondContact O-N 2.94Å; N251-Q254 VanDerWaalsContact O-N 3.17Å; S252-Q254 VanDerWaalsContact C-N 3.3Å; S252-Q254 PolarHBondContact O-N 3.44Å; Q254-E257 PolarHBondContact O-N 2.86Å; Q254-L258 WeakPolarHBondContact O-CB 3.05Å; Q254-L258 WeakPolarHBondContact O-CD1 3.4Å; Q254-L258 WeakPolarHBondContact O-CG 3.33Å; Q254-L258 PolarHBondContact O-N 3.34Å; Q254-L280 HydrophobicContact CB-CD2 4.48Å; Q254-L280 HydrophobicContact CG-CB 4.35Å; Q254-L280 HydrophobicContact CG-CD2 4.34Å; Q254-L280 PolarHBondContact NE2-O 3.42Å
255L97.6Very high94.5Very high73 Ų7380 Ų8038%0.38241%0.408SS..Hα-helixtrans-66.3-42.3177.3-68172.3000112.1F250 N251 S252 W253 E257 L258 E259F250-L255 HydrophobicContact CB-CD1 4.42Å; F250-L255 HydrophobicContact CB-CD2 3.66Å; F250-L255 HydrophobicContact CB-CG 3.78Å; F250-L255 HydrophobicContact CD2-CD2 4.23Å; F250-L255 HydrophobicContact CG-CD2 4.08Å; N251-L255 WeakPolarHBondContact O-CG 3.45Å; N251-L255 PolarHBondContact O-N 2.88Å; S252-L255 WeakPolarHBondContact O-CB 3.48Å; S252-L255 PolarHBondContact O-N 2.99Å; W253-L255 VanDerWaalsContact C-N 3.33Å; W253-L255 PolarHBondContact O-N 3.46Å; L255-E257 VanDerWaalsContact C-N 3.3Å; L255-E257 PolarHBondContact O-N 2.69Å; L255-L258 PolarHBondContact O-N 2.71Å; L255-E259 WeakPolarHBondContact O-CB 3.36Å; L255-E259 PolarHBondContact O-N 3.33Å
256E97.3Very high95.4Very high105 Ų10575.9 Ų75.949%0.49140%0.396SS..Hα-helixtrans-59.6-43.5176.9-72.8164.4-142.600111.3S252 W253 E259 R260S252-E256 WeakPolarHBondContact O-CG 3.36Å; S252-E256 PolarHBondContact O-N 2.86Å; S252-E256 PolarHBondContact OG-OE1 2.8Å; W253-E256 PolarHBondContact O-N 2.94Å; E256-E259 PolarHBondContact O-N 3.3Å; E256-R260 WeakPolarHBondContact O-CB 3.43Å; E256-R260 PolarHBondContact O-N 3.48Å
257E97.3Very high96Very high11 Ų1179.4 Ų79.45%0.05140%0.396CS..Hα-helixtrans-70.9-40.4179.5-161.963.5-128.600112.9W253 Q254 L255 E259 R260 A261 R279 L280W253-E257 WeakPolarHBondContact O-CB 3.32Å; W253-E257 PolarHBondContact O-N 3.17Å; Q254-E257 PolarHBondContact O-N 2.86Å; L255-E257 VanDerWaalsContact C-N 3.3Å; L255-E257 PolarHBondContact O-N 2.69Å; E257-E259 VanDerWaalsContact C-N 3.29Å; E257-E259 PolarHBondContact O-N 2.94Å; E257-R260 PolarHBondContact O-N 3.12Å; E257-R260 IonicContact OE1-CZ 3.24Å; E257-R260 IonicContact OE1-NH1 2.89Å; E257-R260 PolarHBondContact OE1-NH1 2.87Å; E257-R260 IonicContact OE2-CZ 3.64Å; E257-R260 IonicContact OE2-NH1 3.9Å; E257-R260 PolarHBondContact OE2-NH1 3.06Å; E257-R260 IonicContact OE2-NH2 3.82Å; E257-A261 WeakPolarHBondContact O-CB 3.47Å; E257-A261 PolarHBondContact O-N 2.86Å; E257-R279 IonicContact OE1-CZ 2.64Å; E257-R279 IonicContact OE1-NH1 3.45Å; E257-R279 PolarHBondContact OE1-NH1 3.42Å; E257-R279 IonicContact OE1-NH2 2.8Å; E257-R279 PolarHBondContact OE1-NH2 2.95Å; E257-R279 IonicContact OE2-CZ 3.99Å; E257-R279 IonicContact OE2-NH1 3.1Å; E257-R279 PolarHBondContact OE2-NH1 3.11Å; E257-R279 IonicContact OE2-NH2 3.23Å; E257-L280 HydrophobicContact CB-CD1 4.38Å; E257-L280 HydrophobicContact CB-CD2 3.74Å; E257-L280 HydrophobicContact CG-CD2 3.89Å
258L98.2Very high96.4Very high0 Ų069.7 Ų69.70%036%0.36CS..Hα-helixtrans-61.3-39.7173-74166.4000111.2F250 Q254 L255 A261 F262 L280 V287 W290 F291F250-L258 HydrophobicContact CD1-CD1 4.16Å; F250-L258 HydrophobicContact CE1-CD1 4.3Å; Q254-L258 WeakPolarHBondContact O-CB 3.05Å; Q254-L258 WeakPolarHBondContact O-CD1 3.4Å; Q254-L258 WeakPolarHBondContact O-CG 3.33Å; Q254-L258 PolarHBondContact O-N 3.34Å; L255-L258 PolarHBondContact O-N 2.71Å; L258-A261 PolarHBondContact O-N 2.94Å; L258-F262 VanDerWaalsContact O-CB 3.31Å; L258-F262 WeakPolarHBondContact O-CB 3.41Å; L258-F262 PolarHBondContact O-N 3.38Å; L258-L280 HydrophobicContact CD1-CD1 4.26Å; L258-L280 HydrophobicContact CD2-CD1 3.76Å; L258-L280 HydrophobicContact CG-CD1 3.6Å; L258-V287 HydrophobicContact CD2-CG1 4.01Å; L258-V287 HydrophobicContact CD2-CG2 4.45Å; L258-W290 VanDerWaalsContact C-CH2 3.49Å; L258-W290 HydrophobicContact CB-CD2 3.94Å; L258-W290 HydrophobicContact CB-CE3 3.91Å; L258-W290 HydrophobicContact CB-CH2 3.62Å; L258-W290 HydrophobicContact CB-CZ2 3.6Å; L258-W290 HydrophobicContact CB-CZ3 3.77Å; L258-W290 HydrophobicContact CD1-CD2 3.87Å; L258-W290 HydrophobicContact CD1-CE3 4.48Å; L258-W290 HydrophobicContact CD1-CG 3.86Å; L258-W290 HydrophobicContact CD2-CD2 4.33Å; L258-W290 HydrophobicContact CD2-CE3 4.17Å; L258-W290 HydrophobicContact CG-CD2 4.27Å; L258-W290 HydrophobicContact CG-CE3 4.41Å; L258-W290 WeakPolarHBondContact O-CH2 3.22Å; L258-W290 WeakPolarHBondContact O-CZ3 3.21Å; L258-F291 HydrophobicContact CD2-CE2 4.03Å
259E97.7Very high96.7Very high60 Ų6072.2 Ų72.228%0.2837%0.372SS..Hα-helixtrans-70.6-36.6176.9-163.966.7-150.500112.3L255 E256 E257 F262 S263 R294L255-E259 WeakPolarHBondContact O-CB 3.36Å; L255-E259 PolarHBondContact O-N 3.33Å; E256-E259 PolarHBondContact O-N 3.3Å; E257-E259 VanDerWaalsContact C-N 3.29Å; E257-E259 PolarHBondContact O-N 2.94Å; E259-F262 WeakPolarHBondContact O-CB 3.49Å; E259-F262 PolarHBondContact O-N 2.81Å; E259-S263 PolarHBondContact O-N 3.47Å; E259-S263 PolarHBondContact O-OG 2.95Å; E259-R294 IonicContact OE1-CZ 2.82Å; E259-R294 VanDerWaalsContact OE1-CZ 3.29Å; E259-R294 IonicContact OE1-NE 2.62Å; E259-R294 PolarHBondContact OE1-NE 3.03Å; E259-R294 VanDerWaalsContact OE1-NE 3.11Å; E259-R294 IonicContact OE1-NH2 3.69Å; E259-R294 PolarHBondContact OE1-NH2 3.47Å; E259-R294 IonicContact OE2-CZ 4Å; E259-R294 IonicContact OE2-NE 3.84Å; E259-R294 PolarHBondContact OE2-NE 2.92Å; E259-R294 IonicContact OE2-NH2 3.72Å
260R97Very high96.9Very high145 Ų14568.4 Ų68.455%0.54735%0.351SS..Hα-helixtrans-61.7-46.8172.3-170.2-175.7-60.1138.84.6111E256 E257 F262 S263 A264E256-R260 WeakPolarHBondContact O-CB 3.43Å; E256-R260 PolarHBondContact O-N 3.48Å; E257-R260 PolarHBondContact O-N 3.12Å; E257-R260 IonicContact OE1-CZ 3.24Å; E257-R260 IonicContact OE1-NH1 2.89Å; E257-R260 PolarHBondContact OE1-NH1 2.87Å; E257-R260 IonicContact OE2-CZ 3.64Å; E257-R260 IonicContact OE2-NH1 3.9Å; E257-R260 PolarHBondContact OE2-NH1 3.06Å; E257-R260 IonicContact OE2-NH2 3.82Å; R260-F262 VanDerWaalsContact C-N 3.34Å; R260-F262 PolarHBondContact O-N 3.49Å; R260-S263 WeakPolarHBondContact O-CB 3.33Å; R260-S263 PolarHBondContact O-N 2.94Å; R260-A264 PolarHBondContact O-N 2.89Å
261A97.1Very high97Very high16 Ų1672.6 Ų72.613%0.13237%0.37CS..Hα-helixtrans-64.3-38.4175.500000112.3E257 L258 S263 A264 S265 L276 F291E257-A261 WeakPolarHBondContact O-CB 3.47Å; E257-A261 PolarHBondContact O-N 2.86Å; L258-A261 PolarHBondContact O-N 2.94Å; A261-S263 VanDerWaalsContact C-N 3.28Å; A261-S263 PolarHBondContact O-N 3.47Å; A261-A264 PolarHBondContact O-N 2.83Å; A261-A264 VanDerWaalsContact O-N 3.16Å; A261-S265 PolarHBondContact O-N 3.29Å; A261-L276 HydrophobicContact CB-CD1 3.6Å; A261-L276 HydrophobicContact CB-CD2 3.92Å; A261-L276 HydrophobicContact CB-CG 4.4Å; A261-F291 HydrophobicContact CB-CZ 4.05Å
262F97.6Very high97Very high8 Ų871.7 Ų71.74%0.03536%0.363CS..Hα-helixtrans-61.2-37.2174.9-171-99.3000112.5L258 E259 R260 A264 S265 H266 W290 F291 R294 R295 V298L258-F262 VanDerWaalsContact O-CB 3.31Å; L258-F262 WeakPolarHBondContact O-CB 3.41Å; L258-F262 PolarHBondContact O-N 3.38Å; E259-F262 WeakPolarHBondContact O-CB 3.49Å; E259-F262 PolarHBondContact O-N 2.81Å; R260-F262 VanDerWaalsContact C-N 3.34Å; R260-F262 PolarHBondContact O-N 3.49Å; F262-A264 VanDerWaalsContact C-N 3.3Å; F262-A264 PolarHBondContact O-N 3Å; F262-S265 CarbonylContact O-C 3.59Å; F262-H266 AromaticContact CD1-CD2 3.54Å; F262-H266 AromaticContact CD1-NE2 3.91Å; F262-H266 AromaticContact CD2-CD2 3.97Å; F262-H266 AromaticContact CE1-CD2 3.16Å; F262-H266 WeakPolarHBondContact CE1-CD2 3.48Å; F262-H266 AromaticContact CE1-NE2 3.46Å; F262-H266 WeakPolarHBondContact CE1-NE2 3.4Å; F262-H266 HydrophobicContact CE2-CB 4.24Å; F262-H266 AromaticContact CE2-CD2 3.63Å; F262-H266 AromaticContact CG-CD2 3.92Å; F262-H266 HydrophobicContact CZ-CB 4.42Å; F262-H266 AromaticContact CZ-CD2 3.2Å; F262-H266 WeakPolarHBondContact CZ-CD2 3.37Å; F262-H266 AromaticContact CZ-NE2 3.88Å; F262-H266 PolarHBondContact O-CD2 3.35Å; F262-W290 HydrophobicContact CB-CH2 4.14Å; F262-W290 HydrophobicContact CB-CZ3 4.05Å; F262-W290 HydrophobicContact CD2-CZ3 4.17Å; F262-W290 HydrophobicContact CG-CZ3 4.37Å; F262-F291 HydrophobicContact CB-CE1 4.11Å; F262-F291 AromaticContact CD2-CD1 3.74Å; F262-F291 HydrophobicContact CD2-CD1 3.74Å; F262-F291 AromaticContact CD2-CE1 3.84Å; F262-F291 HydrophobicContact CD2-CE1 3.84Å; F262-F291 HydrophobicContact CE2-CD1 4.42Å; F262-F291 HydrophobicContact CG-CE1 4.48Å; F262-R294 HydrophobicContact CD1-CG 3.9Å; F262-R294 HydrophobicContact CD2-CB 4.05Å; F262-R294 HydrophobicContact CD2-CG 3.56Å; F262-R294 HydrophobicContact CE1-CG 3.75Å; F262-R294 HydrophobicContact CE2-CB 3.78Å; F262-R294 HydrophobicContact CE2-CG 3.41Å; F262-R294 VanDerWaalsContact CE2-CG 3.41Å; F262-R294 HydrophobicContact CG-CG 3.81Å; F262-R294 HydrophobicContact CZ-CB 4.24Å; F262-R294 HydrophobicContact CZ-CG 3.52Å; F262-R295 HydrophobicContact CE2-CG 3.92Å; F262-R295 HydrophobicContact CZ-CG 4.36Å; F262-V298 HydrophobicContact CE1-CG2 3.9Å; F262-V298 HydrophobicContact CZ-CG2 3.82Å
263S96.4Very high97.1Very high91 Ų9171 Ų7164%0.63635%0.349SS*.Hα-helixtrans-68.3-30.1176.6-55.70000112.5E259 R260 A261E259-S263 PolarHBondContact O-N 3.47Å; E259-S263 PolarHBondContact O-OG 2.95Å; R260-S263 WeakPolarHBondContact O-CB 3.33Å; R260-S263 PolarHBondContact O-N 2.94Å; A261-S263 VanDerWaalsContact C-N 3.28Å; A261-S263 PolarHBondContact O-N 3.47Å
264A95.7Very high97.1Very high88 Ų8869.6 Ų69.673%0.72735%0.348SS*.Hα-helixtrans-78.8-44.1174.400000112.3R260 A261 F262R260-A264 PolarHBondContact O-N 2.89Å; A261-A264 PolarHBondContact O-N 2.83Å; A261-A264 VanDerWaalsContact O-N 3.16Å; F262-A264 VanDerWaalsContact C-N 3.3Å; F262-A264 PolarHBondContact O-N 3Å
265S96Very high97.1Very high36 Ų3671.1 Ų71.125%0.25237%0.365SS..  trans-149.8125174.6177.70000112A261 F262 Y267 F291A261-S265 PolarHBondContact O-N 3.29Å; F262-S265 CarbonylContact O-C 3.59Å; S265-Y267 PolarHBondContact O-N 3.09Å; S265-Y267 VanDerWaalsContact OG-C 3.23Å; S265-Y267 PolarHBondContact OG-N 2.88Å; S265-Y267 PolarHBondContact OG-O 3.48Å; S265-F291 WeakPolarHBondContact O-CE1 3.29Å
266H96.5Very high97.1Very high91 Ų9168.3 Ų68.342%0.42135%0.351SS..SBendtrans-71.6-17.9172.6-59.9133.6000113.4F262 R295F262-H266 AromaticContact CD1-CD2 3.54Å; F262-H266 AromaticContact CD1-NE2 3.91Å; F262-H266 AromaticContact CD2-CD2 3.97Å; F262-H266 AromaticContact CE1-CD2 3.16Å; F262-H266 WeakPolarHBondContact CE1-CD2 3.48Å; F262-H266 AromaticContact CE1-NE2 3.46Å; F262-H266 WeakPolarHBondContact CE1-NE2 3.4Å; F262-H266 HydrophobicContact CE2-CB 4.24Å; F262-H266 AromaticContact CE2-CD2 3.63Å; F262-H266 AromaticContact CG-CD2 3.92Å; F262-H266 HydrophobicContact CZ-CB 4.42Å; F262-H266 AromaticContact CZ-CD2 3.2Å; F262-H266 WeakPolarHBondContact CZ-CD2 3.37Å; F262-H266 AromaticContact CZ-NE2 3.88Å; F262-H266 PolarHBondContact O-CD2 3.35Å; H266-R295 WeakPolarHBondContact O-CD 3.43Å; H266-R295 PolarHBondContact O-NH1 3.27Å
267Y97.7Very high97.1Very high170 Ų17063.6 Ų63.667%0.66733%0.33SS*.SBendtrans-128.972.2-177.4-65-90.4000109.1S265 R295S265-Y267 PolarHBondContact O-N 3.09Å; S265-Y267 VanDerWaalsContact OG-C 3.23Å; S265-Y267 PolarHBondContact OG-N 2.88Å; S265-Y267 PolarHBondContact OG-O 3.48Å; Y267-R295 VanDerWaalsContact CZ-CD 3.49Å
268P96.5Very high97.1Very high7 Ų770.3 Ų70.35%0.04536%0.363CS..  trans-66.6138.1178.829.4-36.9000110.4M272 R273 F291P268-M272 HydrophobicContact CB-CB 3.95Å; P268-M272 HydrophobicContact CB-CE 4.38Å; P268-M272 HydrophobicContact CB-SD 4.39Å; P268-R273 HydrophobicContact CB-CG 3.97Å; P268-R273 HydrophobicContact CG-CG 3.72Å; P268-R273 PolarHBondContact O-NH1 2.9Å; P268-F291 HydrophobicContact CB-CE1 4.43Å; P268-F291 HydrophobicContact CB-CZ 4.45Å; P268-F291 VanDerWaalsContact CD-CD1 3.41Å; P268-F291 HydrophobicContact CG-CD1 3.61Å; P268-F291 HydrophobicContact CG-CD2 4.01Å; P268-F291 HydrophobicContact CG-CE1 3.55Å; P268-F291 HydrophobicContact CG-CE2 3.97Å; P268-F291 HydrophobicContact CG-CG 3.85Å; P268-F291 HydrophobicContact CG-CZ 3.75Å
269D97.2Very high97Very high92 Ų9276 Ų7649%0.49238%0.384SS..  trans-67.4167.3174.9-170.824000112.1F271 M272 R273D269-F271 VanDerWaalsContact C-N 3.34Å; D269-F271 PolarHBondContact O-N 3.45Å; D269-M272 HydrophobicContact CB-CG 4.37Å; D269-M272 HydrophobicContact CB-SD 4.43Å; D269-M272 WeakPolarHBondContact O-CB 3.29Å; D269-M272 PolarHBondContact O-N 3.23Å; D269-M272 VanDerWaalsContact O-N 3.16Å; D269-R273 WeakPolarHBondContact O-CG 3.32Å; D269-R273 PolarHBondContact O-N 2.92Å
270I96.5Very high97Very high58 Ų5873.1 Ų73.130%0.29737%0.371SS..Hα-helixtrans-52.6-49.8178.6-174.560000111.5M272 R273 E274 E284I270-M272 VanDerWaalsContact C-N 3.32Å; I270-M272 PolarHBondContact O-N 3.34Å; I270-R273 PolarHBondContact O-N 2.93Å; I270-R273 VanDerWaalsContact O-N 3.1Å; I270-E274 HydrophobicContact CD1-CG 4.39Å; I270-E274 WeakPolarHBondContact O-CG 3.38Å; I270-E274 PolarHBondContact O-N 3.02Å; I270-E284 HydrophobicContact CD1-CG 4.28Å
271F96.9Very high97Very high148 Ų14873.3 Ų73.365%0.64938%0.383SS*.Hα-helixtrans-63-37.7179.3-61.5-66.7000112.5D269 E274 A275D269-F271 VanDerWaalsContact C-N 3.34Å; D269-F271 PolarHBondContact O-N 3.45Å; F271-E274 PolarHBondContact O-N 3.32Å; F271-A275 WeakPolarHBondContact O-CB 3.3Å; F271-A275 PolarHBondContact O-N 2.75Å
272M96.3Very high96.9Very high89 Ų8973.9 Ų73.944%0.43838%0.383SS..Hα-helixtrans-66.1-40.3175.4-65.517969.600111.4P268 D269 I270 L276P268-M272 HydrophobicContact CB-CB 3.95Å; P268-M272 HydrophobicContact CB-CE 4.38Å; P268-M272 HydrophobicContact CB-SD 4.39Å; D269-M272 HydrophobicContact CB-CG 4.37Å; D269-M272 HydrophobicContact CB-SD 4.43Å; D269-M272 WeakPolarHBondContact O-CB 3.29Å; D269-M272 PolarHBondContact O-N 3.23Å; D269-M272 VanDerWaalsContact O-N 3.16Å; I270-M272 VanDerWaalsContact C-N 3.32Å; I270-M272 PolarHBondContact O-N 3.34Å; M272-L276 VanDerWaalsContact O-CG 3.28Å; M272-L276 WeakPolarHBondContact O-CG 3.43Å; M272-L276 PolarHBondContact O-N 3.46Å
273R97.9Very high96.8Very high58 Ų5880.9 Ų80.922%0.21941%0.414CS..Hα-helixtrans-67.4-40.5177.8-68.9-166.5-55.3-88.11.5111.6P268 D269 I270 L276 A277 E284 V287P268-R273 HydrophobicContact CB-CG 3.97Å; P268-R273 HydrophobicContact CG-CG 3.72Å; P268-R273 PolarHBondContact O-NH1 2.9Å; D269-R273 WeakPolarHBondContact O-CG 3.32Å; D269-R273 PolarHBondContact O-N 2.92Å; I270-R273 PolarHBondContact O-N 2.93Å; I270-R273 VanDerWaalsContact O-N 3.1Å; R273-L276 PolarHBondContact O-N 2.97Å; R273-A277 WeakPolarHBondContact O-CB 3.44Å; R273-A277 PolarHBondContact O-N 3.13Å; R273-E284 HydrophobicContact CB-CG 4.1Å; R273-E284 IonicContact CZ-OE1 3.17Å; R273-E284 IonicContact NE-OE1 3Å; R273-E284 PolarHBondContact NE-OE1 3.38Å; R273-E284 IonicContact NH2-OE1 2.81Å; R273-E284 PolarHBondContact NH2-OE1 2.87Å; R273-V287 HydrophobicContact CB-CG1 4.38Å; R273-V287 HydrophobicContact CG-CG1 4.33Å
274E98.1Very high96.9Very high88 Ų8879.2 Ų79.241%0.41140%0.396SS..Hα-helixtrans-63.8-45.8175.8-71.9178.2159.800111.7I270 F271 L276 A277 M278 E284I270-E274 HydrophobicContact CD1-CG 4.39Å; I270-E274 WeakPolarHBondContact O-CG 3.38Å; I270-E274 PolarHBondContact O-N 3.02Å; F271-E274 PolarHBondContact O-N 3.32Å; E274-L276 VanDerWaalsContact C-N 3.33Å; E274-L276 PolarHBondContact O-N 3.31Å; E274-A277 WeakPolarHBondContact O-CB 3.42Å; E274-A277 PolarHBondContact O-N 3.49Å; E274-A277 VanDerWaalsContact O-N 3.13Å; E274-M278 WeakPolarHBondContact O-CG 3.37Å; E274-M278 PolarHBondContact O-N 3.07Å; E274-E284 HydrophobicContact CG-CG 4.12Å
275A97.4Very high96.9Very high60 Ų6077.6 Ų77.650%0.49638%0.379SS..Hα-helixtrans-60.7-40.3175.600000112.5F271 R279F271-A275 WeakPolarHBondContact O-CB 3.3Å; F271-A275 PolarHBondContact O-N 2.75Å; A275-R279 WeakPolarHBondContact O-CB 3.42Å; A275-R279 PolarHBondContact O-N 2.94Å
276L97.4Very high96.9Very high14 Ų1478.6 Ų78.67%0.07338%0.377CS..Hα-helixtrans-66.7-41.1173.3-71.9172.8000112.1A261 M272 R273 E274 R279 L280 V287 F291A261-L276 HydrophobicContact CB-CD1 3.6Å; A261-L276 HydrophobicContact CB-CD2 3.92Å; A261-L276 HydrophobicContact CB-CG 4.4Å; M272-L276 VanDerWaalsContact O-CG 3.28Å; M272-L276 WeakPolarHBondContact O-CG 3.43Å; M272-L276 PolarHBondContact O-N 3.46Å; R273-L276 PolarHBondContact O-N 2.97Å; E274-L276 VanDerWaalsContact C-N 3.33Å; E274-L276 PolarHBondContact O-N 3.31Å; L276-R279 PolarHBondContact O-N 3.15Å; L276-L280 VanDerWaalsContact O-CB 3.26Å; L276-L280 WeakPolarHBondContact O-CB 3.45Å; L276-L280 WeakPolarHBondContact O-CG 3.46Å; L276-L280 PolarHBondContact O-N 2.81Å; L276-V287 HydrophobicContact CB-CG1 4.35Å; L276-V287 HydrophobicContact CD1-CG1 4.41Å; L276-F291 HydrophobicContact CD1-CE2 4.03Å; L276-F291 HydrophobicContact CD1-CZ 4.12Å
277A97.6Very high96.9Very high6 Ų674.2 Ų74.25%0.0536%0.357CS..Hα-helixtrans-61.5-47.2179.200000111.1R273 E274 L280 D281 L282 E284 V287R273-A277 WeakPolarHBondContact O-CB 3.44Å; R273-A277 PolarHBondContact O-N 3.13Å; E274-A277 WeakPolarHBondContact O-CB 3.42Å; E274-A277 PolarHBondContact O-N 3.49Å; E274-A277 VanDerWaalsContact O-N 3.13Å; A277-L280 PolarHBondContact O-N 3.49Å; A277-D281 PolarHBondContact O-N 3.42Å; A277-D281 VanDerWaalsContact O-N 3.12Å; A277-L282 CarbonylContact C-O 3.59Å; A277-L282 WeakPolarHBondContact CB-O 3.4Å; A277-L282 PolarHBondContact O-N 3.4Å; A277-L282 VanDerWaalsContact O-O 3.12Å; A277-E284 HydrophobicContact CB-CB 4.34Å; A277-V287 HydrophobicContact CB-CG2 4.01Å
278M97.5Very high96.9Very high152 Ų15267.6 Ų67.675%0.74934%0.337SS*.Hα-helixtrans-61.2-47.8174.5-69.5-179.571.400111.7E274 L280 D281E274-M278 WeakPolarHBondContact O-CG 3.37Å; E274-M278 PolarHBondContact O-N 3.07Å; M278-L280 VanDerWaalsContact C-N 3.27Å; M278-L280 PolarHBondContact O-N 3Å; M278-D281 PolarHBondContact O-N 3.08Å
279R96.9Very high96.9Very high118 Ų11870.6 Ų70.645%0.44536%0.356SS..Hα-helixtrans-64.1-33.1-178.9-174.8166.862.1137.3-4.8112.8W253 E257 A275 L276W253-R279 VanDerWaalsContact CH2-O 3.29Å; W253-R279 WeakPolarHBondContact CH2-O 3.37Å; E257-R279 IonicContact OE1-CZ 2.64Å; E257-R279 IonicContact OE1-NH1 3.45Å; E257-R279 PolarHBondContact OE1-NH1 3.42Å; E257-R279 IonicContact OE1-NH2 2.8Å; E257-R279 PolarHBondContact OE1-NH2 2.95Å; E257-R279 IonicContact OE2-CZ 3.99Å; E257-R279 IonicContact OE2-NH1 3.1Å; E257-R279 PolarHBondContact OE2-NH1 3.11Å; E257-R279 IonicContact OE2-NH2 3.23Å; A275-R279 WeakPolarHBondContact O-CB 3.42Å; A275-R279 PolarHBondContact O-N 2.94Å; L276-R279 PolarHBondContact O-N 3.15Å
280L96.5Very high97Very high0 Ų067.5 Ų67.50%034%0.337CS..THydrogen-bonded Turntrans-96.32.2-174.8-62.4-177.4000114.3W253 Q254 E257 L258 L276 A277 M278 L282W253-L280 HydrophobicContact CE3-CD2 4.08Å; W253-L280 HydrophobicContact CH2-CD2 3.5Å; W253-L280 VanDerWaalsContact CH2-CD2 3.5Å; W253-L280 HydrophobicContact CZ2-CD2 4.04Å; W253-L280 HydrophobicContact CZ3-CD2 3.5Å; W253-L280 VanDerWaalsContact CZ3-CD2 3.5Å; Q254-L280 HydrophobicContact CB-CD2 4.48Å; Q254-L280 HydrophobicContact CG-CB 4.35Å; Q254-L280 HydrophobicContact CG-CD2 4.34Å; Q254-L280 PolarHBondContact NE2-O 3.42Å; E257-L280 HydrophobicContact CB-CD1 4.38Å; E257-L280 HydrophobicContact CB-CD2 3.74Å; E257-L280 HydrophobicContact CG-CD2 3.89Å; L258-L280 HydrophobicContact CD1-CD1 4.26Å; L258-L280 HydrophobicContact CD2-CD1 3.76Å; L258-L280 HydrophobicContact CG-CD1 3.6Å; L276-L280 VanDerWaalsContact O-CB 3.26Å; L276-L280 WeakPolarHBondContact O-CB 3.45Å; L276-L280 WeakPolarHBondContact O-CG 3.46Å; L276-L280 PolarHBondContact O-N 2.81Å; A277-L280 PolarHBondContact O-N 3.49Å; M278-L280 VanDerWaalsContact C-N 3.27Å; M278-L280 PolarHBondContact O-N 3Å; L280-L282 VanDerWaalsContact C-N 3.28Å; L280-L282 HydrophobicContact CB-CD1 3.8Å; L280-L282 HydrophobicContact CB-CG 4.04Å; L280-L282 HydrophobicContact CD1-CD1 4.21Å; L280-L282 PolarHBondContact O-N 3.5Å
281D96.9Very high97Very high149 Ų14964.9 Ų64.980%0.79732%0.323SS*.THydrogen-bonded Turntrans5344.4-171.8-61.3-44.5000112.8A277 M278A277-D281 PolarHBondContact O-N 3.42Å; A277-D281 VanDerWaalsContact O-N 3.12Å; M278-D281 PolarHBondContact O-N 3.08Å
282L95.2Very high97Very high28 Ų2863.2 Ų63.215%0.14732%0.318CS..  trans-120.5156.8178.6-65.1170.8000110.4T248 F250 A277 L280 V287T248-L282 HydrophobicContact CG2-CD2 4.09Å; F250-L282 HydrophobicContact CD1-CD1 3.78Å; F250-L282 HydrophobicContact CD1-CD2 4.18Å; F250-L282 HydrophobicContact CE1-CD1 3.71Å; F250-L282 HydrophobicContact CE1-CD2 4.16Å; A277-L282 CarbonylContact C-O 3.59Å; A277-L282 WeakPolarHBondContact CB-O 3.4Å; A277-L282 PolarHBondContact O-N 3.4Å; A277-L282 VanDerWaalsContact O-O 3.12Å; L280-L282 VanDerWaalsContact C-N 3.28Å; L280-L282 HydrophobicContact CB-CD1 3.8Å; L280-L282 HydrophobicContact CB-CG 4.04Å; L280-L282 HydrophobicContact CD1-CD1 4.21Å; L280-L282 PolarHBondContact O-N 3.5Å; L282-V287 HydrophobicContact CB-CG2 4.35Å; L282-V287 HydrophobicContact CD1-CG2 4.49Å
283K96.1Very high97.1Very high155 Ų15563.8 Ų63.867%0.67432%0.323SS*.  trans-72.8142.5166.5-69.3-176.2155.778.50109.8S285 R286 V287K283-S285 PolarHBondContact O-N 3.42Å; K283-S285 VanDerWaalsContact O-N 3.15Å; K283-R286 HydrophobicContact CB-CG 4.19Å; K283-R286 WeakPolarHBondContact O-CA 3.42Å; K283-R286 WeakPolarHBondContact O-CB 3.38Å; K283-R286 PolarHBondContact O-N 3.34Å; K283-V287 PolarHBondContact O-N 3.45Å
284E97.4Very high97.1Very high56 Ų5663.3 Ų63.326%0.26232%0.321SS..Hα-helixtrans-47.7-44.8175.2-176.7-81.3168.800111.4I270 R273 E274 A277 R286 V287 A288I270-E284 HydrophobicContact CD1-CG 4.28Å; R273-E284 HydrophobicContact CB-CG 4.1Å; R273-E284 IonicContact CZ-OE1 3.17Å; R273-E284 IonicContact NE-OE1 3Å; R273-E284 PolarHBondContact NE-OE1 3.38Å; R273-E284 IonicContact NH2-OE1 2.81Å; R273-E284 PolarHBondContact NH2-OE1 2.87Å; E274-E284 HydrophobicContact CG-CG 4.12Å; A277-E284 HydrophobicContact CB-CB 4.34Å; E284-R286 PolarHBondContact O-N 2.94Å; E284-R286 VanDerWaalsContact O-N 3.1Å; E284-V287 CarbonylContact O-C 3.45Å; E284-V287 WeakPolarHBondContact O-CA 3.34Å; E284-V287 WeakPolarHBondContact O-CB 3.49Å; E284-V287 PolarHBondContact O-N 2.89Å; E284-A288 PolarHBondContact O-N 2.74Å
285S95.9Very high97Very high54 Ų5462 Ų6238%0.37831%0.312SS..Hα-helixtrans-56.1-31.8177.958.90000113.7K283 V289K283-S285 PolarHBondContact O-N 3.42Å; K283-S285 VanDerWaalsContact O-N 3.15Å; S285-V289 WeakPolarHBondContact O-CB 3.35Å; S285-V289 VanDerWaalsContact O-CG2 3.24Å; S285-V289 WeakPolarHBondContact O-CG2 3.17Å; S285-V289 PolarHBondContact O-N 3.18Å
286R96.6Very high96.9Very high57 Ų5760.8 Ų60.822%0.21530%0.302CS..Hα-helixtrans-75.5-36.8177.3-56.9-55.1171.6136-7.2111.6S246 T248 K283 E284 W290S246-R286 PolarHBondContact O-NH1 2.92Å; S246-R286 PolarHBondContact O-NH2 3.26Å; T248-R286 WeakPolarHBondContact OG1-CD 3.34Å; T248-R286 PolarHBondContact OG1-NE 3Å; T248-R286 PolarHBondContact OG1-NH1 2.92Å; K283-R286 HydrophobicContact CB-CG 4.19Å; K283-R286 WeakPolarHBondContact O-CA 3.42Å; K283-R286 WeakPolarHBondContact O-CB 3.38Å; K283-R286 PolarHBondContact O-N 3.34Å; E284-R286 PolarHBondContact O-N 2.94Å; E284-R286 VanDerWaalsContact O-N 3.1Å; R286-W290 VanDerWaalsContact O-CB 3.3Å; R286-W290 WeakPolarHBondContact O-CB 3.4Å; R286-W290 PolarHBondContact O-N 3.08Å
287V97.3Very high96.6Very high0 Ų065.5 Ų65.50%032%0.322CS..Hα-helixtrans-64-48.7171.6-178.70000109.4L258 R273 L276 A277 L282 K283 E284 V289 W290 F291L258-V287 HydrophobicContact CD2-CG1 4.01Å; L258-V287 HydrophobicContact CD2-CG2 4.45Å; R273-V287 HydrophobicContact CB-CG1 4.38Å; R273-V287 HydrophobicContact CG-CG1 4.33Å; L276-V287 HydrophobicContact CB-CG1 4.35Å; L276-V287 HydrophobicContact CD1-CG1 4.41Å; A277-V287 HydrophobicContact CB-CG2 4.01Å; L282-V287 HydrophobicContact CB-CG2 4.35Å; L282-V287 HydrophobicContact CD1-CG2 4.49Å; K283-V287 PolarHBondContact O-N 3.45Å; E284-V287 CarbonylContact O-C 3.45Å; E284-V287 WeakPolarHBondContact O-CA 3.34Å; E284-V287 WeakPolarHBondContact O-CB 3.49Å; E284-V287 PolarHBondContact O-N 2.89Å; V287-V289 PolarHBondContact O-N 2.93Å; V287-W290 WeakPolarHBondContact O-CB 3.24Å; V287-W290 PolarHBondContact O-N 2.96Å; V287-W290 VanDerWaalsContact O-N 3.09Å; V287-F291 HydrophobicContact CG1-CD2 3.7Å; V287-F291 HydrophobicContact CG1-CE2 3.66Å; V287-F291 WeakPolarHBondContact O-CD2 3.41Å; V287-F291 PolarHBondContact O-N 3.38Å
288A97Very high96.3Very high30 Ų3066.9 Ų66.925%0.24833%0.33CS..Hα-helixtrans-55.4-49.2177.700000112.7E284 W290 F291 Q292E284-A288 PolarHBondContact O-N 2.74Å; A288-W290 VanDerWaalsContact C-N 3.35Å; A288-W290 PolarHBondContact O-N 2.82Å; A288-F291 PolarHBondContact O-N 3.03Å; A288-Q292 PolarHBondContact O-N 2.8Å
289V96.9Very high96Very high71 Ų7165.6 Ų65.643%0.4332%0.317SS..Hα-helixtrans-64.6-37.6176.6171.20000111.7S285 V287 Q292 N293S285-V289 WeakPolarHBondContact O-CB 3.35Å; S285-V289 VanDerWaalsContact O-CG2 3.24Å; S285-V289 WeakPolarHBondContact O-CG2 3.17Å; S285-V289 PolarHBondContact O-N 3.18Å; V287-V289 PolarHBondContact O-N 2.93Å; V289-Q292 PolarHBondContact O-N 3.26Å; V289-N293 WeakPolarHBondContact O-CB 3.23Å; V289-N293 PolarHBondContact O-N 3.25Å; V289-N293 PolarHBondContact O-ND2 2.91Å
290W97.8Very high95.3Very high27 Ų2765.1 Ų65.110%0.10232%0.318CS..Hα-helixtrans-61.8-48.2175.7-174.8100.7000111.3F250 L258 F262 R286 V287 A288 Q292 N293 R294F250-W290 AromaticContact CE2-CD1 3.72Å; F250-W290 HydrophobicContact CZ-CB 4.16Å; F250-W290 AromaticContact CZ-CD1 3.88Å; F250-W290 HydrophobicContact CZ-CG 4.4Å; L258-W290 VanDerWaalsContact C-CH2 3.49Å; L258-W290 HydrophobicContact CB-CD2 3.94Å; L258-W290 HydrophobicContact CB-CE3 3.91Å; L258-W290 HydrophobicContact CB-CH2 3.62Å; L258-W290 HydrophobicContact CB-CZ2 3.6Å; L258-W290 HydrophobicContact CB-CZ3 3.77Å; L258-W290 HydrophobicContact CD1-CD2 3.87Å; L258-W290 HydrophobicContact CD1-CE3 4.48Å; L258-W290 HydrophobicContact CD1-CG 3.86Å; L258-W290 HydrophobicContact CD2-CD2 4.33Å; L258-W290 HydrophobicContact CD2-CE3 4.17Å; L258-W290 HydrophobicContact CG-CD2 4.27Å; L258-W290 HydrophobicContact CG-CE3 4.41Å; L258-W290 WeakPolarHBondContact O-CH2 3.22Å; L258-W290 WeakPolarHBondContact O-CZ3 3.21Å; F262-W290 HydrophobicContact CB-CH2 4.14Å; F262-W290 HydrophobicContact CB-CZ3 4.05Å; F262-W290 HydrophobicContact CD2-CZ3 4.17Å; F262-W290 HydrophobicContact CG-CZ3 4.37Å; R286-W290 VanDerWaalsContact O-CB 3.3Å; R286-W290 WeakPolarHBondContact O-CB 3.4Å; R286-W290 PolarHBondContact O-N 3.08Å; V287-W290 WeakPolarHBondContact O-CB 3.24Å; V287-W290 PolarHBondContact O-N 2.96Å; V287-W290 VanDerWaalsContact O-N 3.09Å; A288-W290 VanDerWaalsContact C-N 3.35Å; A288-W290 PolarHBondContact O-N 2.82Å; W290-Q292 VanDerWaalsContact C-N 3.34Å; W290-Q292 PolarHBondContact O-N 3.46Å; W290-N293 PolarHBondContact O-N 3.02Å; W290-R294 HydrophobicContact CE3-CB 4.18Å; W290-R294 HydrophobicContact CH2-CB 4.14Å; W290-R294 HydrophobicContact CH2-CG 3.82Å; W290-R294 HydrophobicContact CZ2-CG 4.42Å; W290-R294 HydrophobicContact CZ3-CB 3.93Å; W290-R294 HydrophobicContact CZ3-CG 4Å; W290-R294 WeakPolarHBondContact O-CB 3.15Å; W290-R294 PolarHBondContact O-N 3.04Å
291F98.3Very high94.5Very high2 Ų272 Ų721%0.00934%0.344CS..Hα-helixtrans-62.2-40177.5-88.5-93000111.9L258 A261 F262 S265 P268 L276 V287 A288 R294 R295L258-F291 HydrophobicContact CD2-CE2 4.03Å; A261-F291 HydrophobicContact CB-CZ 4.05Å; F262-F291 HydrophobicContact CB-CE1 4.11Å; F262-F291 AromaticContact CD2-CD1 3.74Å; F262-F291 HydrophobicContact CD2-CD1 3.74Å; F262-F291 AromaticContact CD2-CE1 3.84Å; F262-F291 HydrophobicContact CD2-CE1 3.84Å; F262-F291 HydrophobicContact CE2-CD1 4.42Å; F262-F291 HydrophobicContact CG-CE1 4.48Å; S265-F291 WeakPolarHBondContact O-CE1 3.29Å; P268-F291 HydrophobicContact CB-CE1 4.43Å; P268-F291 HydrophobicContact CB-CZ 4.45Å; P268-F291 VanDerWaalsContact CD-CD1 3.41Å; P268-F291 HydrophobicContact CG-CD1 3.61Å; P268-F291 HydrophobicContact CG-CD2 4.01Å; P268-F291 HydrophobicContact CG-CE1 3.55Å; P268-F291 HydrophobicContact CG-CE2 3.97Å; P268-F291 HydrophobicContact CG-CG 3.85Å; P268-F291 HydrophobicContact CG-CZ 3.75Å; L276-F291 HydrophobicContact CD1-CE2 4.03Å; L276-F291 HydrophobicContact CD1-CZ 4.12Å; V287-F291 HydrophobicContact CG1-CD2 3.7Å; V287-F291 HydrophobicContact CG1-CE2 3.66Å; V287-F291 WeakPolarHBondContact O-CD2 3.41Å; V287-F291 PolarHBondContact O-N 3.38Å; A288-F291 PolarHBondContact O-N 3.03Å; F291-R294 PolarHBondContact O-N 3.3Å; F291-R295 WeakPolarHBondContact O-CG 3.43Å; F291-R295 PolarHBondContact O-N 3.21Å
292Q97Very high93.6Very high114 Ų11470.7 Ų70.753%0.53333%0.333SS..Hα-helixtrans-60.8-47174.8-171.4-178.719.500111.9A288 V289 W290 R294 R295 A296A288-Q292 PolarHBondContact O-N 2.8Å; V289-Q292 PolarHBondContact O-N 3.26Å; W290-Q292 VanDerWaalsContact C-N 3.34Å; W290-Q292 PolarHBondContact O-N 3.46Å; Q292-R294 VanDerWaalsContact C-N 3.34Å; Q292-R295 PolarHBondContact O-N 2.96Å; Q292-A296 WeakPolarHBondContact O-CB 3.29Å; Q292-A296 PolarHBondContact O-N 3.41Å
293N97.5Very high92.1Very high101 Ų10175.9 Ų75.954%0.5436%0.356SS..Hα-helixtrans-65.2-38.3176.9-74.3-32.5000111.9V289 W290 A296 K297V289-N293 WeakPolarHBondContact O-CB 3.23Å; V289-N293 PolarHBondContact O-N 3.25Å; V289-N293 PolarHBondContact O-ND2 2.91Å; W290-N293 PolarHBondContact O-N 3.02Å; N293-A296 PolarHBondContact O-N 2.82Å; N293-K297 PolarHBondContact O-N 3.32Å
294R97.5Very high90.4Very high47 Ų4772.2 Ų72.218%0.17735%0.347CS..Hα-helixtrans-64.3-46.6177.3-169.268.7-175.598.2-0.9111.1E259 F262 W290 F291 Q292 A296 K297 V298E259-R294 IonicContact OE1-CZ 2.82Å; E259-R294 VanDerWaalsContact OE1-CZ 3.29Å; E259-R294 IonicContact OE1-NE 2.62Å; E259-R294 PolarHBondContact OE1-NE 3.03Å; E259-R294 VanDerWaalsContact OE1-NE 3.11Å; E259-R294 IonicContact OE1-NH2 3.69Å; E259-R294 PolarHBondContact OE1-NH2 3.47Å; E259-R294 IonicContact OE2-CZ 4Å; E259-R294 IonicContact OE2-NE 3.84Å; E259-R294 PolarHBondContact OE2-NE 2.92Å; E259-R294 IonicContact OE2-NH2 3.72Å; F262-R294 HydrophobicContact CD1-CG 3.9Å; F262-R294 HydrophobicContact CD2-CB 4.05Å; F262-R294 HydrophobicContact CD2-CG 3.56Å; F262-R294 HydrophobicContact CE1-CG 3.75Å; F262-R294 HydrophobicContact CE2-CB 3.78Å; F262-R294 HydrophobicContact CE2-CG 3.41Å; F262-R294 VanDerWaalsContact CE2-CG 3.41Å; F262-R294 HydrophobicContact CG-CG 3.81Å; F262-R294 HydrophobicContact CZ-CB 4.24Å; F262-R294 HydrophobicContact CZ-CG 3.52Å; W290-R294 HydrophobicContact CE3-CB 4.18Å; W290-R294 HydrophobicContact CH2-CB 4.14Å; W290-R294 HydrophobicContact CH2-CG 3.82Å; W290-R294 HydrophobicContact CZ2-CG 4.42Å; W290-R294 HydrophobicContact CZ3-CB 3.93Å; W290-R294 HydrophobicContact CZ3-CG 4Å; W290-R294 WeakPolarHBondContact O-CB 3.15Å; W290-R294 PolarHBondContact O-N 3.04Å; F291-R294 PolarHBondContact O-N 3.3Å; Q292-R294 VanDerWaalsContact C-N 3.34Å; R294-A296 VanDerWaalsContact C-N 3.35Å; R294-A296 PolarHBondContact O-N 2.92Å; R294-K297 WeakPolarHBondContact O-CB 3.39Å; R294-K297 PolarHBondContact O-N 3.48Å; R294-V298 WeakPolarHBondContact O-CG2 3.48Å; R294-V298 PolarHBondContact O-N 2.8Å
295R96.9Very high88.5Confident60 Ų6078 Ų7823%0.22637%0.371CS..Hα-helixtrans-60.9-39.9172.7-71.1-164.7-60.7-87.40.8112.5F262 H266 Y267 F291 Q292 K297 V298 R299F262-R295 HydrophobicContact CE2-CG 3.92Å; F262-R295 HydrophobicContact CZ-CG 4.36Å; H266-R295 WeakPolarHBondContact O-CD 3.43Å; H266-R295 PolarHBondContact O-NH1 3.27Å; Y267-R295 VanDerWaalsContact CZ-CD 3.49Å; F291-R295 WeakPolarHBondContact O-CG 3.43Å; F291-R295 PolarHBondContact O-N 3.21Å; Q292-R295 PolarHBondContact O-N 2.96Å; R295-K297 VanDerWaalsContact C-N 3.32Å; R295-K297 PolarHBondContact O-N 3.21Å; R295-V298 PolarHBondContact O-N 3.38Å; R295-R299 PolarHBondContact O-N 3.32Å
296A94.2Very high86.5Confident36 Ų3684.5 Ų84.530%0.29839%0.393SS..Hα-helixtrans-61.4-40.9175.300000112.2Q292 N293 R294 K300Q292-A296 WeakPolarHBondContact O-CB 3.29Å; Q292-A296 PolarHBondContact O-N 3.41Å; N293-A296 PolarHBondContact O-N 2.82Å; R294-A296 VanDerWaalsContact C-N 3.35Å; R294-A296 PolarHBondContact O-N 2.92Å; A296-K300 WeakPolarHBondContact O-CB 3.23Å; A296-K300 PolarHBondContact O-N 2.93Å
297K92.8Very high84.4Confident113 Ų11384.8 Ų84.849%0.49141%0.413SS..Hα-helixtrans-66.4-38175.5-169.3176.8-179.2-178.90112.2N293 R294 R295 R301N293-K297 PolarHBondContact O-N 3.32Å; R294-K297 WeakPolarHBondContact O-CB 3.39Å; R294-K297 PolarHBondContact O-N 3.48Å; R295-K297 VanDerWaalsContact C-N 3.32Å; R295-K297 PolarHBondContact O-N 3.21Å; K297-R301 WeakPolarHBondContact O-CG 3.39Å; K297-R301 PolarHBondContact O-N 3.38Å
298V90.8Very high82Confident35 Ų3590.5 Ų90.521%0.21245%0.45CS..Hα-helixtrans-63.8-53.4175.6171.40000110.8F262 R294 R295 K300 R301 E302F262-V298 HydrophobicContact CE1-CG2 3.9Å; F262-V298 HydrophobicContact CZ-CG2 3.82Å; R294-V298 WeakPolarHBondContact O-CG2 3.48Å; R294-V298 PolarHBondContact O-N 2.8Å; R295-V298 PolarHBondContact O-N 3.38Å; V298-K300 VanDerWaalsContact C-N 3.27Å; V298-K300 PolarHBondContact O-N 2.89Å; V298-R301 WeakPolarHBondContact O-CB 3.17Å; V298-R301 PolarHBondContact O-N 3.38Å; V298-E302 PolarHBondContact O-N 3.29Å; V298-E302 VanDerWaalsContact O-N 3.14Å
299R90.1Very high79.7Confident125 Ų12592.5 Ų92.547%0.47247%0.474SS..Hα-helixtrans-54.4-43.7176-74-175.8-75.898.3-5.9112.1R295 R301 E302 H303R295-R299 PolarHBondContact O-N 3.32Å; R299-R301 VanDerWaalsContact C-N 3.27Å; R299-R301 PolarHBondContact O-N 3.43Å; R299-E302 PolarHBondContact O-N 3.42Å; R299-H303 PolarHBondContact O-CD2 2.98Å; R299-H303 PolarHBondContact O-N 2.64Å
300K82.3Confident77.6Confident107 Ų10799.9 Ų99.947%0.46549%0.494SS..Hα-helixtrans-62.8-29.5178.1-170.2170.8179175.90113.5A296 V298 T304 A312A296-K300 WeakPolarHBondContact O-CB 3.23Å; A296-K300 PolarHBondContact O-N 2.93Å; V298-K300 VanDerWaalsContact C-N 3.27Å; V298-K300 PolarHBondContact O-N 2.89Å; K300-T304 WeakPolarHBondContact O-CG2 3.21Å; K300-T304 PolarHBondContact O-OG1 2.8Å; K300-A312 HydrophobicContact CD-CB 4.24Å; K300-A312 HydrophobicContact CG-CB 4.07Å
301R80.5Confident75.5Confident146 Ų146102.5 Ų102.555%0.55151%0.514SS*.Hα-helixtrans-79.8-26.7176.5-73.8176.5175.3-153.3-3.6113K297 V298 R299 T304K297-R301 WeakPolarHBondContact O-CG 3.39Å; K297-R301 PolarHBondContact O-N 3.38Å; V298-R301 WeakPolarHBondContact O-CB 3.17Å; V298-R301 PolarHBondContact O-N 3.38Å; R299-R301 VanDerWaalsContact C-N 3.27Å; R299-R301 PolarHBondContact O-N 3.43Å; R301-T304 PolarHBondContact O-OG1 3.08Å
302E77.3Confident73.4Confident120 Ų120103.4 Ų103.456%0.56152%0.522SS*.Hα-helixtrans-81.7-42.5178.2-70.1173.9-175.500112V298 R299 T304 K305V298-E302 PolarHBondContact O-N 3.29Å; V298-E302 VanDerWaalsContact O-N 3.14Å; R299-E302 PolarHBondContact O-N 3.42Å; E302-T304 PolarHBondContact O-N 3.12Å; E302-K305 PolarHBondContact O-N 3.35Å; E302-K305 VanDerWaalsContact O-N 3.08Å
303H64.9Low71.2Confident137 Ų137107 Ų10763%0.63454%0.539SS*.G310 helixtrans-67.8-16.1178.5-68.2-63.2000114R299 K305R299-H303 PolarHBondContact O-CD2 2.98Å; R299-H303 PolarHBondContact O-N 2.64Å; H303-K305 VanDerWaalsContact C-N 3.25Å; H303-K305 PolarHBondContact O-N 3.46Å
304T59Low69.3Low78 Ų78109.4 Ų109.448%0.47955%0.551SS.*G310 helixtrans-78.2-4.9172.548.20000113.8K300 R301 E302 A312K300-T304 WeakPolarHBondContact O-CG2 3.21Å; K300-T304 PolarHBondContact O-OG1 2.8Å; R301-T304 PolarHBondContact O-OG1 3.08Å; E302-T304 PolarHBondContact O-N 3.12Å; T304-A312 HydrophobicContact CG2-CB 4.24Å
305K59.1Low67.3Low178 Ų178109.5 Ų109.577%0.77456%0.562SS**G310 helixtrans-103.5-10.3-178.7-64.1-175.1178.5-176.40114.3E302 H303E302-K305 PolarHBondContact O-N 3.35Å; E302-K305 VanDerWaalsContact O-N 3.08Å; H303-K305 VanDerWaalsContact C-N 3.25Å; H303-K305 PolarHBondContact O-N 3.46Å
306K53Low65.4Low191 Ų191114 Ų11483%0.8359%0.586SS**SBendtrans-13392.8-175.3-65.4-175.7178.9-177.10109.7
307G51.4Low63.6Low62 Ų62114.7 Ų114.764%0.63959%0.587SS**  trans110.7130.3165.200000114.8
308P48.5Very low61.7Low121 Ų121114.1 Ų114.179%0.78659%0.586SS**SBendtrans-73.6129.7170.731.7-29.7000108.3
309G47.3Very low60Low72 Ų72114 Ų11474%0.74259%0.586SS**SBendtrans166.6-18.1172.700000117.9
310R53.5Low58.3Low226 Ų226114.7 Ų114.785%0.85361%0.608SS**  trans-163104.5168.9-120.4170.1-173.7-82.21.3112.9A312R310-A312 PolarHBondContact O-N 2.99Å
311P52.9Low57Low81 Ų81113.3 Ų113.353%0.52661%0.612SS.*  trans-59.3114167.7-23.534.2000110H313P311-H313 PolarHBondContact O-N 3.48Å
312A54.9Low56.2Low21 Ų21108.1 Ų108.117%0.17460%0.604CS.*  trans-47122.2150.700000108.4K300 T304 R310 N314 A315K300-A312 HydrophobicContact CD-CB 4.24Å; K300-A312 HydrophobicContact CG-CB 4.07Å; T304-A312 HydrophobicContact CG2-CB 4.24Å; R310-A312 PolarHBondContact O-N 2.99Å; A312-N314 PolarHBondContact O-N 3.01Å; A312-A315 PolarHBondContact O-N 3.08Å; A312-A315 VanDerWaalsContact O-N 3.12Å
313H51.6Low55.6Low190 Ų190108.7 Ų108.788%0.8861%0.606SS**THydrogen-bonded Turntrans-52.416.2179.8-179.6-82.6000116.1P311P311-H313 PolarHBondContact O-N 3.48Å
314N56.3Low55.8Low151 Ų151107.5 Ų107.581%0.80761%0.611SS**THydrogen-bonded Turntrans-140.412.7179.6-149.810.7000114A312A312-N314 PolarHBondContact O-N 3.01Å
315A56.5Low56.3Low49 Ų49105.1 Ų105.141%0.40560%0.595SS.*SBendtrans-98.1150.9163.300000108.4A312A312-A315 PolarHBondContact O-N 3.08Å; A312-A315 VanDerWaalsContact O-N 3.12Å
316Q56.1Low57.1Low156 Ų15699.4 Ų99.473%0.72958%0.576SS**  trans-33.2141.1174-76.5-88.88.600112Q318Q316-Q318 PolarHBondContact O-N 3.43Å
317P56.4Low58.2Low50 Ų5095.1 Ų95.133%0.32557%0.567SS.*  trans-63.2104-178.632.6-36.1000108I325 L330P317-I325 HydrophobicContact CB-CD1 3.52Å; P317-I325 HydrophobicContact CG-CD1 4.03Å; P317-I325 WeakPolarHBondContact O-CD1 3.1Å; P317-I325 VanDerWaalsContact O-CG1 3.22Å; P317-I325 WeakPolarHBondContact O-CG1 3.28Å; P317-L330 HydrophobicContact CG-CD1 3.75Å
318Q54.5Low59.5Low100 Ų10097.6 Ų97.647%0.46757%0.566SS.*BIsolated β-bridgetrans-97.7140.9170.6-76.6178-63.500107.6Q316 G322Q316-Q318 PolarHBondContact O-N 3.43Å; Q318-G322 PolarHBondContact NE2-O 3.2Å
319T54.4Low60.9Low34 Ų3496.8 Ų96.821%0.20955%0.552CS.*  trans-64.1165.7171.659.70000109.8S321 G322 E323 I325T319-S321 PolarHBondContact O-N 3.22Å; T319-S321 VanDerWaalsContact O-N 3.08Å; T319-S321 PolarHBondContact OG1-OG 2.96Å; T319-G322 PolarHBondContact O-N 3.04Å; T319-E323 PolarHBondContact N-O 3.14Å; T319-E323 PolarHBondContact OG1-O 3.19Å; T319-I325 HydrophobicContact CG2-CB 4.34Å; T319-I325 HydrophobicContact CG2-CG1 3.5Å
320C53.7Low62.2Low139 Ų13997.2 Ų97.294%0.93954%0.537SS*.THydrogen-bonded Turntrans-60.1-16.3175.2-61.40000113.5
321S56Low63.4Low78 Ų7893.6 Ų93.655%0.54553%0.527SS..THydrogen-bonded Turntrans-87.1-2175.754.30000114.2T319 E323T319-S321 PolarHBondContact O-N 3.22Å; T319-S321 VanDerWaalsContact O-N 3.08Å; T319-S321 PolarHBondContact OG1-OG 2.96Å; S321-E323 PolarHBondContact O-N 3.47Å
322G62.6Low64.6Low36 Ų3691 Ų9137%0.37151%0.513SS..SBendtrans73.8-4.4-175.400000114.2Q318 T319Q318-G322 PolarHBondContact NE2-O 3.2Å; T319-G322 PolarHBondContact O-N 3.04Å
323E65.1Low65.6Low133 Ų13395.9 Ų95.962%0.62153%0.53SS*.SBendtrans-71.7147.9171.8-69.7-177157.300111.1T319 S321 I325T319-E323 PolarHBondContact N-O 3.14Å; T319-E323 PolarHBondContact OG1-O 3.19Å; S321-E323 PolarHBondContact O-N 3.47Å; E323-I325 PolarHBondContact O-N 3.29Å
324P68.4Low67.1Low111 Ų11189.6 Ų89.672%0.72150%0.501SS*.BIsolated β-bridgetrans-63.5130.4172.926.8-32.4000109.7
325I70.4Confident68.3Low28 Ų2885.7 Ų85.714%0.14448%0.475CS..PPolyproline II helixtrans-54.8126.4174.7-66.3176.3000108.7P317 T319 E323 E329 L330P317-I325 HydrophobicContact CB-CD1 3.52Å; P317-I325 HydrophobicContact CG-CD1 4.03Å; P317-I325 WeakPolarHBondContact O-CD1 3.1Å; P317-I325 VanDerWaalsContact O-CG1 3.22Å; P317-I325 WeakPolarHBondContact O-CG1 3.28Å; T319-I325 HydrophobicContact CG2-CB 4.34Å; T319-I325 HydrophobicContact CG2-CG1 3.5Å; E323-I325 PolarHBondContact O-N 3.29Å; I325-E329 HydrophobicContact CG2-CB 3.4Å; I325-E329 VanDerWaalsContact CG2-CB 3.4Å; I325-L330 HydrophobicContact CG2-CB 4.31Å
326P75.8Confident69.5Low59 Ų5986.2 Ų86.238%0.38348%0.479SS..PPolyproline II helixtrans-59.3146.417923.1-31.7000110.3N328 E329 L330P326-N328 PolarHBondContact O-N 2.95Å; P326-E329 HydrophobicContact CG-CB 4.02Å; P326-E329 HydrophobicContact CG-CG 3.85Å; P326-E329 PolarHBondContact O-N 2.67Å; P326-L330 PolarHBondContact O-N 3.17Å; P326-L330 VanDerWaalsContact O-N 3.16Å
327P76.3Confident70.9Confident100 Ų10085 Ų8565%0.64947%0.468SS*.Hα-helixtrans-58.5-25.7-173.222.5-33.8000113.4K331P327-K331 WeakPolarHBondContact O-CG 3.28Å; P327-K331 PolarHBondContact O-N 3.37Å; P327-K331 VanDerWaalsContact O-N 3.12Å
328N78.8Confident72.1Confident114 Ų11487.5 Ų87.561%0.6147%0.471SS*.Hα-helixtrans-68.2-46.2174.4-166.230.6000112.3P326 L330 K331 A332P326-N328 PolarHBondContact O-N 2.95Å; N328-L330 VanDerWaalsContact C-N 3.31Å; N328-L330 PolarHBondContact O-N 3.11Å; N328-K331 PolarHBondContact O-N 3.31Å; N328-A332 WeakPolarHBondContact O-CB 3.33Å; N328-A332 PolarHBondContact O-N 3.04Å
329E77.6Confident73.5Confident105 Ų10588.3 Ų88.349%0.49147%0.47SS..Hα-helixtrans-64-36.1175.8-82.2-176-150.600112.1I325 P326 A332 K333I325-E329 HydrophobicContact CG2-CB 3.4Å; I325-E329 VanDerWaalsContact CG2-CB 3.4Å; P326-E329 HydrophobicContact CG-CB 4.02Å; P326-E329 HydrophobicContact CG-CG 3.85Å; P326-E329 PolarHBondContact O-N 2.67Å; E329-A332 PolarHBondContact O-N 3.17Å; E329-K333 WeakPolarHBondContact O-CB 3.36Å; E329-K333 PolarHBondContact O-N 2.96Å
330L74.9Confident75.1Confident81 Ų8193.3 Ų93.342%0.42449%0.488SS..Hα-helixtrans-64.8-41.8175.5-17069.7000111.4P317 I325 P326 N328 K333 E334P317-L330 HydrophobicContact CG-CD1 3.75Å; I325-L330 HydrophobicContact CG2-CB 4.31Å; P326-L330 PolarHBondContact O-N 3.17Å; P326-L330 VanDerWaalsContact O-N 3.16Å; N328-L330 VanDerWaalsContact C-N 3.31Å; N328-L330 PolarHBondContact O-N 3.11Å; L330-K333 PolarHBondContact O-N 3.38Å; L330-E334 WeakPolarHBondContact O-CB 3.45Å; L330-E334 PolarHBondContact O-N 2.91Å
331K78.3Confident76.8Confident150 Ų15091.4 Ų91.465%0.65246%0.464SS*.Hα-helixtrans-64-44.9173.9-74.9175.8-177.9179.10111.4P327 N328 K333 E334 R335P327-K331 WeakPolarHBondContact O-CG 3.28Å; P327-K331 PolarHBondContact O-N 3.37Å; P327-K331 VanDerWaalsContact O-N 3.12Å; N328-K331 PolarHBondContact O-N 3.31Å; K331-K333 PolarHBondContact O-N 3.48Å; K331-E334 PolarHBondContact O-N 3.04Å; K331-R335 WeakPolarHBondContact O-CB 3.49Å; K331-R335 PolarHBondContact O-N 3.03Å
332A77.7Confident78.3Confident27 Ų2787.9 Ų87.922%0.22344%0.439CS..Hα-helixtrans-61.1-43.6176.200000111.6N328 E329 E334 R335 A336 I389N328-A332 WeakPolarHBondContact O-CB 3.33Å; N328-A332 PolarHBondContact O-N 3.04Å; E329-A332 PolarHBondContact O-N 3.17Å; A332-E334 PolarHBondContact O-N 3.41Å; A332-R335 PolarHBondContact O-N 2.89Å; A332-A336 WeakPolarHBondContact O-CB 3.4Å; A332-A336 PolarHBondContact O-N 3.47Å; A332-I389 HydrophobicContact CB-CD1 4.16Å
333K76.9Confident79.4Confident123 Ų12389 Ų8954%0.53545%0.445SS..Hα-helixtrans-64.2-38.7175.9-172.2171.2-176.2169.10112.4E329 L330 K331 R337E329-K333 WeakPolarHBondContact O-CB 3.36Å; E329-K333 PolarHBondContact O-N 2.96Å; L330-K333 PolarHBondContact O-N 3.38Å; K331-K333 PolarHBondContact O-N 3.48Å; K333-R337 WeakPolarHBondContact O-CB 3.47Å; K333-R337 PolarHBondContact O-N 3.03Å
334E81.7Confident80.7Confident57 Ų5788.2 Ų88.227%0.26644%0.439SS..Hα-helixtrans-70.3-39.7174.1-176.260.2-162.500111.7L330 K331 A332 R337 R338L330-E334 WeakPolarHBondContact O-CB 3.45Å; L330-E334 PolarHBondContact O-N 2.91Å; K331-E334 PolarHBondContact O-N 3.04Å; A332-E334 PolarHBondContact O-N 3.41Å; E334-R337 WeakPolarHBondContact O-CB 3.4Å; E334-R337 PolarHBondContact O-N 3.01Å; E334-R337 IonicContact OE1-NH1 3.29Å; E334-R337 PolarHBondContact OE1-NH1 3.24Å; E334-R337 IonicContact OE2-CZ 3.6Å; E334-R337 IonicContact OE2-NH1 3.96Å; E334-R337 PolarHBondContact OE2-NH1 2.96Å; E334-R338 WeakPolarHBondContact O-CG 3.45Å; E334-R338 PolarHBondContact O-N 2.98Å; E334-R338 IonicContact OE1-CZ 3.09Å; E334-R338 IonicContact OE1-NE 3.75Å; E334-R338 IonicContact OE1-NH2 2.56Å
335R82.1Confident81.7Confident70 Ų7083.8 Ų83.826%0.26441%0.412SS..Hα-helixtrans-59.1-46.6171.5-175-174-92.2138.1-12.1110.8K331 A332 R337 R338 R339 S382 D387K331-R335 WeakPolarHBondContact O-CB 3.49Å; K331-R335 PolarHBondContact O-N 3.03Å; A332-R335 PolarHBondContact O-N 2.89Å; R335-R337 VanDerWaalsContact C-N 3.33Å; R335-R337 PolarHBondContact O-N 3.47Å; R335-R338 WeakPolarHBondContact O-CB 3.49Å; R335-R338 PolarHBondContact O-N 3.26Å; R335-R338 VanDerWaalsContact O-N 3.14Å; R335-R339 WeakPolarHBondContact O-CB 3.33Å; R335-R339 PolarHBondContact O-N 3.01Å; R335-S382 PolarHBondContact NE-O 3.1Å; R335-D387 IonicContact CZ-OD2 3.5Å; R335-D387 IonicContact NE-OD2 3.64Å; R335-D387 IonicContact NH1-OD1 3.3Å; R335-D387 IonicContact NH1-OD2 2.91Å; R335-D387 PolarHBondContact NH1-OD2 2.98Å; R335-D387 IonicContact NH2-OD2 3.04Å
336A81.3Confident82.7Confident59 Ų5983 Ų8349%0.48841%0.409SS..Hα-helixtrans-60.9-40.4174.900000112.4A332 R339 K340A332-A336 WeakPolarHBondContact O-CB 3.4Å; A332-A336 PolarHBondContact O-N 3.47Å; A336-R339 PolarHBondContact O-N 3.45Å; A336-K340 WeakPolarHBondContact O-CB 3.46Å; A336-K340 PolarHBondContact O-N 3.47Å
337R85.3Confident83.4Confident131 Ų13183.7 Ų83.749%0.49441%0.409SS..Hα-helixtrans-64.6-40.2174.2180175170.1-118.46.3111.9K333 E334 R335 K341K333-R337 WeakPolarHBondContact O-CB 3.47Å; K333-R337 PolarHBondContact O-N 3.03Å; E334-R337 WeakPolarHBondContact O-CB 3.4Å; E334-R337 PolarHBondContact O-N 3.01Å; E334-R337 IonicContact OE1-NH1 3.29Å; E334-R337 PolarHBondContact OE1-NH1 3.24Å; E334-R337 IonicContact OE2-CZ 3.6Å; E334-R337 IonicContact OE2-NH1 3.96Å; E334-R337 PolarHBondContact OE2-NH1 2.96Å; R335-R337 VanDerWaalsContact C-N 3.33Å; R335-R337 PolarHBondContact O-N 3.47Å; R337-K341 WeakPolarHBondContact O-CG 3.2Å; R337-K341 PolarHBondContact O-N 3.21Å; R337-K341 VanDerWaalsContact O-N 3.09Å
338R83.4Confident84.1Confident103 Ų10386.9 Ų86.939%0.38941%0.408SS..Hα-helixtrans-64.6-49.7173.7-72.6-179.1-168.6136.92111E334 R335 K340 K341 L342 F379E334-R338 WeakPolarHBondContact O-CG 3.45Å; E334-R338 PolarHBondContact O-N 2.98Å; E334-R338 IonicContact OE1-CZ 3.09Å; E334-R338 IonicContact OE1-NE 3.75Å; E334-R338 IonicContact OE1-NH2 2.56Å; R335-R338 WeakPolarHBondContact O-CB 3.49Å; R335-R338 PolarHBondContact O-N 3.26Å; R335-R338 VanDerWaalsContact O-N 3.14Å; R338-K340 VanDerWaalsContact C-N 3.31Å; R338-K340 PolarHBondContact O-N 2.94Å; R338-K341 WeakPolarHBondContact O-CA 3.16Å; R338-K341 WeakPolarHBondContact O-CB 3.47Å; R338-K341 PolarHBondContact O-N 2.86Å; R338-L342 PolarHBondContact O-N 3.41Å; R338-F379 HydrophobicContact CB-CE1 4.41Å; R338-F379 WeakPolarHBondContact O-CE1 3.48Å
339R83.2Confident84.7Confident117 Ų11783.7 Ų83.744%0.44239%0.389SS..Hα-helixtrans-55.4-43176.1-170172.5171.4-170-0.3112.2R335 A336 K341 L342 A343 D386R335-R339 WeakPolarHBondContact O-CB 3.33Å; R335-R339 PolarHBondContact O-N 3.01Å; A336-R339 PolarHBondContact O-N 3.45Å; R339-K341 PolarHBondContact O-N 2.75Å; R339-L342 WeakPolarHBondContact O-CB 3.48Å; R339-L342 PolarHBondContact O-N 3.26Å; R339-A343 WeakPolarHBondContact O-CB 3.37Å; R339-A343 PolarHBondContact O-N 2.81Å; R339-D386 IonicContact CZ-OD1 3.6Å; R339-D386 IonicContact NH1-OD1 2.67Å; R339-D386 PolarHBondContact NH1-OD1 3.4Å; R339-D386 IonicContact NH2-OD1 3.11Å
340K87.3Confident85.3Confident138 Ų13878.9 Ų78.960%0.637%0.367SS*.Hα-helixtrans-66.7-34.6175.6-170.2168.8-172.1165.80113.4A336 R338 K344A336-K340 WeakPolarHBondContact O-CB 3.46Å; A336-K340 PolarHBondContact O-N 3.47Å; R338-K340 VanDerWaalsContact C-N 3.31Å; R338-K340 PolarHBondContact O-N 2.94Å; K340-K344 WeakPolarHBondContact O-CG 3.47Å; K340-K344 PolarHBondContact O-N 2.95Å
341K89.3Confident86.1Confident99 Ų9982.4 Ų82.443%0.4338%0.375SS..Hα-helixtrans-69.1-44.9173.3-75.6174.8179.8176.90111R337 R338 R339 K344 A345 F379R337-K341 WeakPolarHBondContact O-CG 3.2Å; R337-K341 PolarHBondContact O-N 3.21Å; R337-K341 VanDerWaalsContact O-N 3.09Å; R338-K341 WeakPolarHBondContact O-CA 3.16Å; R338-K341 WeakPolarHBondContact O-CB 3.47Å; R338-K341 PolarHBondContact O-N 2.86Å; R339-K341 PolarHBondContact O-N 2.75Å; K341-K344 PolarHBondContact O-N 3.13Å; K341-A345 PolarHBondContact O-N 3.47Å; K341-F379 HydrophobicContact CB-CE1 4.47Å; K341-F379 HydrophobicContact CB-CZ 4.33Å
342L87.2Confident86.7Confident4 Ų482.2 Ų82.22%0.02137%0.374CS..Hα-helixtrans-56.6-54.8175.9-179.565000110.4R338 R339 K344 A345 I346 Y369 I370 F379R338-L342 PolarHBondContact O-N 3.41Å; R339-L342 WeakPolarHBondContact O-CB 3.48Å; R339-L342 PolarHBondContact O-N 3.26Å; L342-K344 VanDerWaalsContact C-N 3.29Å; L342-K344 PolarHBondContact O-N 2.97Å; L342-A345 WeakPolarHBondContact O-CA 3.46Å; L342-A345 WeakPolarHBondContact O-CB 3.32Å; L342-A345 PolarHBondContact O-N 2.94Å; L342-I346 HydrophobicContact CD1-CD1 4.32Å; L342-I346 HydrophobicContact CD1-CG1 4.37Å; L342-I346 HydrophobicContact CG-CG1 4.44Å; L342-I346 WeakPolarHBondContact O-CG1 3.37Å; L342-I346 PolarHBondContact O-N 3.33Å; L342-Y369 HydrophobicContact CD1-CD1 3.29Å; L342-Y369 HydrophobicContact CD1-CE1 3.61Å; L342-Y369 HydrophobicContact CD1-CG 4.39Å; L342-I370 HydrophobicContact CD1-CG1 4.05Å; L342-I370 HydrophobicContact CD2-CD1 4.06Å; L342-I370 HydrophobicContact CD2-CG1 4.13Å; L342-F379 HydrophobicContact CB-CD1 4.04Å; L342-F379 HydrophobicContact CB-CE1 3.67Å; L342-F379 HydrophobicContact CB-CZ 4.29Å; L342-F379 HydrophobicContact CD1-CD1 4.19Å; L342-F379 HydrophobicContact CD1-CE1 4.31Å; L342-F379 HydrophobicContact CD1-CG 4.33Å
343A87.1Confident87.3Confident61 Ų6183 Ų8350%0.50437%0.374SS..Hα-helixtrans-55.5-41.9179.600000112.8R339 A345 I346 D347R339-A343 WeakPolarHBondContact O-CB 3.37Å; R339-A343 PolarHBondContact O-N 2.81Å; A343-A345 VanDerWaalsContact C-N 3.32Å; A343-A345 PolarHBondContact O-N 3.31Å; A343-I346 PolarHBondContact O-N 2.89Å; A343-D347 WeakPolarHBondContact O-CB 3.31Å; A343-D347 PolarHBondContact O-N 3.39Å
344K91.2Very high87.9Confident115 Ų11582.6 Ų82.650%0.537%0.374SS..Hα-helixtrans-67.2-30.1175.3-75.6178177.5-176.20113.2K340 K341 L342 R348K340-K344 WeakPolarHBondContact O-CG 3.47Å; K340-K344 PolarHBondContact O-N 2.95Å; K341-K344 PolarHBondContact O-N 3.13Å; L342-K344 VanDerWaalsContact C-N 3.29Å; L342-K344 PolarHBondContact O-N 2.97Å; K344-R348 WeakPolarHBondContact O-CD 3.43Å; K344-R348 WeakPolarHBondContact O-CG 3.39Å; K344-R348 PolarHBondContact O-N 2.64Å
345A90.5Very high88.3Confident18 Ų1884.1 Ų84.115%0.14940%0.397CS..Hα-helixtrans-74.2-44.6176.200000111K341 L342 A343 R348 Q349 Y369K341-A345 PolarHBondContact O-N 3.47Å; L342-A345 WeakPolarHBondContact O-CA 3.46Å; L342-A345 WeakPolarHBondContact O-CB 3.32Å; L342-A345 PolarHBondContact O-N 2.94Å; A343-A345 VanDerWaalsContact C-N 3.32Å; A343-A345 PolarHBondContact O-N 3.31Å; A345-R348 PolarHBondContact O-N 2.8Å; A345-Q349 PolarHBondContact O-N 3.49Å; A345-Y369 HydrophobicContact CB-CE1 3.87Å; A345-Y369 HydrophobicContact CB-CE2 3.78Å; A345-Y369 VanDerWaalsContact CB-OH 3.29Å; A345-Y369 WeakPolarHBondContact CB-OH 3.5Å
346I90.2Very high88.7Confident13 Ų1388.3 Ų88.37%0.06742%0.417CS..Hα-helixtrans-59.7-48.1174.6-56.3-48.4000110.7L342 A343 R348 Q349 A350 L365 K366 Y369L342-I346 HydrophobicContact CD1-CD1 4.32Å; L342-I346 HydrophobicContact CD1-CG1 4.37Å; L342-I346 HydrophobicContact CG-CG1 4.44Å; L342-I346 WeakPolarHBondContact O-CG1 3.37Å; L342-I346 PolarHBondContact O-N 3.33Å; A343-I346 PolarHBondContact O-N 2.89Å; I346-R348 VanDerWaalsContact C-N 3.31Å; I346-R348 PolarHBondContact O-N 3.46Å; I346-Q349 CarbonylContact O-C 3.59Å; I346-Q349 PolarHBondContact O-N 3.39Å; I346-A350 WeakPolarHBondContact O-CB 3.47Å; I346-A350 PolarHBondContact O-N 2.89Å; I346-L365 HydrophobicContact CG2-CB 4.47Å; I346-L365 HydrophobicContact CG2-CD2 3.97Å; I346-L365 HydrophobicContact CG2-CG 4.28Å; I346-K366 HydrophobicContact CD1-CB 4.38Å; I346-K366 HydrophobicContact CG1-CB 4.31Å; I346-K366 HydrophobicContact CG1-CG 4.38Å; I346-Y369 HydrophobicContact CD1-CD1 3.87Å; I346-Y369 HydrophobicContact CD1-CD2 4.06Å; I346-Y369 HydrophobicContact CD1-CG 3.46Å; I346-Y369 VanDerWaalsContact CD1-CG 3.46Å
347D90.6Very high88.9Confident72 Ų7288.8 Ų88.839%0.38543%0.428SS..Hα-helixtrans-58.5-41.1177.3171.377.3000112A343 Q349 A350 R351A343-D347 WeakPolarHBondContact O-CB 3.31Å; A343-D347 PolarHBondContact O-N 3.39Å; D347-Q349 VanDerWaalsContact C-N 3.35Å; D347-Q349 PolarHBondContact O-N 3.46Å; D347-A350 PolarHBondContact O-N 3.22Å; D347-R351 VanDerWaalsContact CG-NE 3.31Å; D347-R351 WeakPolarHBondContact O-CB 3.49Å; D347-R351 VanDerWaalsContact O-CG 3.24Å; D347-R351 WeakPolarHBondContact O-CG 3.49Å; D347-R351 PolarHBondContact O-N 2.62Å; D347-R351 IonicContact OD1-CZ 3.54Å; D347-R351 IonicContact OD1-NE 2.73Å; D347-R351 PolarHBondContact OD1-NE 3.1Å; D347-R351 IonicContact OD1-NH2 3.7Å; D347-R351 PolarHBondContact OD1-NH2 2.82Å; D347-R351 IonicContact OD2-CZ 3.58Å; D347-R351 IonicContact OD2-NE 2.75Å; D347-R351 PolarHBondContact OD2-NE 3.23Å; D347-R351 IonicContact OD2-NH2 3.95Å
348R92.2Very high88.8Confident168 Ų16886.6 Ų86.663%0.63443%0.425SS*.Hα-helixtrans-64.3-39.1175.2-73.8171.3-167.4-80.52.1112.3K344 A345 I346 K352K344-R348 WeakPolarHBondContact O-CD 3.43Å; K344-R348 WeakPolarHBondContact O-CG 3.39Å; K344-R348 PolarHBondContact O-N 2.64Å; A345-R348 PolarHBondContact O-N 2.8Å; I346-R348 VanDerWaalsContact C-N 3.31Å; I346-R348 PolarHBondContact O-N 3.46Å; R348-K352 VanDerWaalsContact O-CG 3.29Å; R348-K352 WeakPolarHBondContact O-CG 3.4Å; R348-K352 PolarHBondContact O-N 2.98Å
349Q90.6Very high88.9Confident46 Ų4688.3 Ų88.322%0.21545%0.447CS..Hα-helixtrans-73.3-41.3179.1-171.1173.5-18.600111.1A345 I346 D347 R351 K352 L353 L365A345-Q349 PolarHBondContact O-N 3.49Å; I346-Q349 CarbonylContact O-C 3.59Å; I346-Q349 PolarHBondContact O-N 3.39Å; D347-Q349 VanDerWaalsContact C-N 3.35Å; D347-Q349 PolarHBondContact O-N 3.46Å; Q349-R351 PolarHBondContact O-N 3.05Å; Q349-K352 WeakPolarHBondContact O-CB 3.16Å; Q349-K352 PolarHBondContact O-N 3.46Å; Q349-K352 VanDerWaalsContact O-N 3.13Å; Q349-L353 HydrophobicContact CG-CD1 4.37Å; Q349-L353 WeakPolarHBondContact O-CG 3.29Å; Q349-L353 PolarHBondContact O-N 2.77Å; Q349-L365 HydrophobicContact CB-CD2 4.08Å; Q349-L365 HydrophobicContact CG-CD1 3.86Å; Q349-L365 HydrophobicContact CG-CD2 4.11Å; Q349-L365 HydrophobicContact CG-CG 4.34Å
350A90.9Very high88.9Confident4 Ų484.1 Ų84.13%0.03344%0.435CS..Hα-helixtrans-58.5-48.7174.500000110.9I346 D347 K352 L353 Q354 V360 L362 L365I346-A350 WeakPolarHBondContact O-CB 3.47Å; I346-A350 PolarHBondContact O-N 2.89Å; D347-A350 PolarHBondContact O-N 3.22Å; A350-K352 VanDerWaalsContact C-N 3.29Å; A350-K352 PolarHBondContact O-N 3.42Å; A350-L353 PolarHBondContact O-N 3.09Å; A350-L353 VanDerWaalsContact O-N 3.15Å; A350-Q354 WeakPolarHBondContact O-CB 3.41Å; A350-Q354 VanDerWaalsContact O-CG 3.3Å; A350-Q354 WeakPolarHBondContact O-CG 3.4Å; A350-Q354 PolarHBondContact O-N 3.25Å; A350-V360 HydrophobicContact CB-CG1 3.88Å; A350-L362 HydrophobicContact CB-CD2 3.97Å; A350-L365 HydrophobicContact CB-CD2 3.86Å
351R90.9Very high88.9Confident156 Ų15682.4 Ų82.459%0.58943%0.432SS*.Hα-helixtrans-58.9-38.2174.9-72.3173.9-167.7-117.8-2.2112.8D347 Q349 A355D347-R351 VanDerWaalsContact CG-NE 3.31Å; D347-R351 WeakPolarHBondContact O-CB 3.49Å; D347-R351 VanDerWaalsContact O-CG 3.24Å; D347-R351 WeakPolarHBondContact O-CG 3.49Å; D347-R351 PolarHBondContact O-N 2.62Å; D347-R351 IonicContact OD1-CZ 3.54Å; D347-R351 IonicContact OD1-NE 2.73Å; D347-R351 PolarHBondContact OD1-NE 3.1Å; D347-R351 IonicContact OD1-NH2 3.7Å; D347-R351 PolarHBondContact OD1-NH2 2.82Å; D347-R351 IonicContact OD2-CZ 3.58Å; D347-R351 IonicContact OD2-NE 2.75Å; D347-R351 PolarHBondContact OD2-NE 3.23Å; D347-R351 IonicContact OD2-NH2 3.95Å; Q349-R351 PolarHBondContact O-N 3.05Å; R351-A355 VanDerWaalsContact O-CB 3.23Å; R351-A355 WeakPolarHBondContact O-CB 3.45Å; R351-A355 PolarHBondContact O-N 2.88Å
352K91.9Very high88.6Confident146 Ų14682.7 Ų82.764%0.63544%0.437SS*.Hα-helixtrans-68.1-36.9176.8-76.7173.9179.5-177.70112.6R348 Q349 A350 K356R348-K352 VanDerWaalsContact O-CG 3.29Å; R348-K352 WeakPolarHBondContact O-CG 3.4Å; R348-K352 PolarHBondContact O-N 2.98Å; Q349-K352 WeakPolarHBondContact O-CB 3.16Å; Q349-K352 PolarHBondContact O-N 3.46Å; Q349-K352 VanDerWaalsContact O-N 3.13Å; A350-K352 VanDerWaalsContact C-N 3.29Å; A350-K352 PolarHBondContact O-N 3.42Å; K352-K356 WeakPolarHBondContact O-CG 3.45Å; K352-K356 PolarHBondContact O-N 3Å
353L90.4Very high88.4Confident42 Ų4289.9 Ų89.922%0.2247%0.471CS..Hα-helixtrans-75.3-42.4177.8-70.1174.6000111.2Q349 A350 A355 K356 G357 I358 V360 L365Q349-L353 HydrophobicContact CG-CD1 4.37Å; Q349-L353 WeakPolarHBondContact O-CG 3.29Å; Q349-L353 PolarHBondContact O-N 2.77Å; A350-L353 PolarHBondContact O-N 3.09Å; A350-L353 VanDerWaalsContact O-N 3.15Å; L353-A355 VanDerWaalsContact C-N 3.33Å; L353-A355 PolarHBondContact O-N 3.14Å; L353-K356 CarbonylContact O-C 3.34Å; L353-K356 WeakPolarHBondContact O-CA 3.35Å; L353-K356 WeakPolarHBondContact O-CB 3.44Å; L353-K356 PolarHBondContact O-N 2.92Å; L353-G357 PolarHBondContact O-N 3.45Å; L353-I358 HydrophobicContact CB-CB 4.41Å; L353-I358 HydrophobicContact CD2-CD1 3.98Å; L353-I358 PolarHBondContact O-N 2.93Å; L353-I358 VanDerWaalsContact O-N 3.08Å; L353-V360 HydrophobicContact CB-CG2 3.39Å; L353-V360 HydrophobicContact CD1-CG2 4.16Å; L353-V360 HydrophobicContact CG-CG2 4.43Å; L353-L365 HydrophobicContact CD1-CD1 3.65Å; L353-L365 HydrophobicContact CD1-CD2 4.28Å
354Q89.6Confident88.4Confident115 Ų11589.4 Ų89.454%0.53747%0.467SS..Hα-helixtrans-60-40.8172.8-73.2174.7-13.900111.9A350 K356 G357 V360A350-Q354 WeakPolarHBondContact O-CB 3.41Å; A350-Q354 VanDerWaalsContact O-CG 3.3Å; A350-Q354 WeakPolarHBondContact O-CG 3.4Å; A350-Q354 PolarHBondContact O-N 3.25Å; Q354-K356 PolarHBondContact O-N 3.31Å; Q354-G357 PolarHBondContact O-N 2.9Å; Q354-V360 HydrophobicContact CG-CB 4.41Å; Q354-V360 HydrophobicContact CG-CG2 3.8Å
355A89.9Confident88.2Confident89 Ų8984.4 Ų84.474%0.73645%0.446SS*.THydrogen-bonded Turntrans-64.1-20.1174.900000113.6R351 L353 G357R351-A355 VanDerWaalsContact O-CB 3.23Å; R351-A355 WeakPolarHBondContact O-CB 3.45Å; R351-A355 PolarHBondContact O-N 2.88Å; L353-A355 VanDerWaalsContact C-N 3.33Å; L353-A355 PolarHBondContact O-N 3.14Å; A355-G357 VanDerWaalsContact C-N 3.34Å
356K90.7Very high88Confident158 Ų15887.1 Ų87.169%0.68745%0.454SS*.THydrogen-bonded Turntrans-90.43.1172.7-67.5175.6178.6-173.30112.9K352 L353 Q354 I358K352-K356 WeakPolarHBondContact O-CG 3.45Å; K352-K356 PolarHBondContact O-N 3Å; L353-K356 CarbonylContact O-C 3.34Å; L353-K356 WeakPolarHBondContact O-CA 3.35Å; L353-K356 WeakPolarHBondContact O-CB 3.44Å; L353-K356 PolarHBondContact O-N 2.92Å; Q354-K356 PolarHBondContact O-N 3.31Å; K356-I358 VanDerWaalsContact C-N 3.29Å; K356-I358 HydrophobicContact CB-CD1 4.14Å; K356-I358 HydrophobicContact CB-CG1 4.24Å; K356-I358 HydrophobicContact CD-CD1 4.47Å; K356-I358 PolarHBondContact O-N 3.16Å
357G84.3Confident87.7Confident70 Ų7089.4 Ų89.472%0.72248%0.475SS*.THydrogen-bonded Turntrans75.513.8-176.200000114.3L353 Q354 A355L353-G357 PolarHBondContact O-N 3.45Å; Q354-G357 PolarHBondContact O-N 2.9Å; A355-G357 VanDerWaalsContact C-N 3.34Å
358I83.4Confident87.5Confident85 Ų8590.7 Ų90.744%0.43648%0.479SS..  trans-87.3127.4178.1-58.5169.5000108.1L353 K356 V360L353-I358 HydrophobicContact CB-CB 4.41Å; L353-I358 HydrophobicContact CD2-CD1 3.98Å; L353-I358 PolarHBondContact O-N 2.93Å; L353-I358 VanDerWaalsContact O-N 3.08Å; K356-I358 VanDerWaalsContact C-N 3.29Å; K356-I358 HydrophobicContact CB-CD1 4.14Å; K356-I358 HydrophobicContact CB-CG1 4.24Å; K356-I358 HydrophobicContact CD-CD1 4.47Å; K356-I358 PolarHBondContact O-N 3.16Å; I358-V360 PolarHBondContact O-N 3.26Å
359T84.8Confident87.2Confident139 Ų13984.4 Ų84.485%0.85346%0.455SS*.  trans-64.5128.1171.2500000109.1
360V83.4Confident86.9Confident29 Ų2982.8 Ų82.818%0.17645%0.448CS..  trans-108.7112.9-174.9-1790000109.4A350 L353 Q354 I358 L362 L365A350-V360 HydrophobicContact CB-CG1 3.88Å; L353-V360 HydrophobicContact CB-CG2 3.39Å; L353-V360 HydrophobicContact CD1-CG2 4.16Å; L353-V360 HydrophobicContact CG-CG2 4.43Å; Q354-V360 HydrophobicContact CG-CB 4.41Å; Q354-V360 HydrophobicContact CG-CG2 3.8Å; I358-V360 PolarHBondContact O-N 3.26Å; V360-L362 HydrophobicContact CG1-CD2 4.28Å; V360-L365 HydrophobicContact CG1-CB 4.37Å; V360-L365 HydrophobicContact CG1-CD2 3.68Å
361D87.1Confident86.5Confident102 Ų10286.8 Ų86.855%0.54548%0.476SS..  trans-79.1116.4159.617811.5000109.1E363 A364 L365D361-E363 VanDerWaalsContact C-N 3.29Å; D361-E363 PolarHBondContact O-N 3.5Å; D361-E363 PolarHBondContact OD1-N 2.87Å; D361-E363 VanDerWaalsContact OD1-N 3.11Å; D361-A364 HydrophobicContact CB-CB 4.1Å; D361-A364 WeakPolarHBondContact OD2-CB 3.44Å; D361-L365 VanDerWaalsContact O-CB 3.28Å; D361-L365 WeakPolarHBondContact O-CB 3.2Å; D361-L365 PolarHBondContact O-N 2.86Å; D361-L365 VanDerWaalsContact O-N 3.08Å
362L82.9Confident86.1Confident104 Ų10484.4 Ų84.455%0.54547%0.471SS..Hα-helixtrans-67.2-30.9-176.1-66.7174.9000112.1A350 V360 K366A350-L362 HydrophobicContact CB-CD2 3.97Å; V360-L362 HydrophobicContact CG1-CD2 4.28Å; L362-K366 VanDerWaalsContact O-CB 3.28Å; L362-K366 WeakPolarHBondContact O-CB 3.26Å; L362-K366 PolarHBondContact O-N 3.36Å
363E84.9Confident85.6Confident155 Ų15579.9 Ų79.972%0.72445%0.452SS*.Hα-helixtrans-76.8-47.1-176.8-169.7163.5-160.400111D361 L365 K366 A367D361-E363 VanDerWaalsContact C-N 3.29Å; D361-E363 PolarHBondContact O-N 3.5Å; D361-E363 PolarHBondContact OD1-N 2.87Å; D361-E363 VanDerWaalsContact OD1-N 3.11Å; E363-L365 VanDerWaalsContact C-N 3.33Å; E363-L365 PolarHBondContact O-N 3.5Å; E363-K366 WeakPolarHBondContact O-CB 3.3Å; E363-K366 PolarHBondContact O-N 3.4Å; E363-A367 PolarHBondContact O-N 3.42Å
364A85.8Confident85.1Confident52 Ų5283.9 Ų83.943%0.4347%0.468SS..Hα-helixtrans-58.6-43.4171.400000112.1D361 K366 A367 E368D361-A364 HydrophobicContact CB-CB 4.1Å; D361-A364 WeakPolarHBondContact OD2-CB 3.44Å; A364-K366 VanDerWaalsContact C-N 3.31Å; A364-K366 PolarHBondContact O-N 3.31Å; A364-A367 PolarHBondContact O-N 3.19Å; A364-E368 WeakPolarHBondContact O-CB 3.47Å; A364-E368 PolarHBondContact O-N 2.97Å
365L86.8Confident84.1Confident9 Ų982.9 Ų82.95%0.04748%0.48CS..Hα-helixtrans-63.6-38178.7-168.265.3000112.2I346 Q349 A350 L353 V360 D361 E363 Y369I346-L365 HydrophobicContact CG2-CB 4.47Å; I346-L365 HydrophobicContact CG2-CD2 3.97Å; I346-L365 HydrophobicContact CG2-CG 4.28Å; Q349-L365 HydrophobicContact CB-CD2 4.08Å; Q349-L365 HydrophobicContact CG-CD1 3.86Å; Q349-L365 HydrophobicContact CG-CD2 4.11Å; Q349-L365 HydrophobicContact CG-CG 4.34Å; A350-L365 HydrophobicContact CB-CD2 3.86Å; L353-L365 HydrophobicContact CD1-CD1 3.65Å; L353-L365 HydrophobicContact CD1-CD2 4.28Å; V360-L365 HydrophobicContact CG1-CB 4.37Å; V360-L365 HydrophobicContact CG1-CD2 3.68Å; D361-L365 VanDerWaalsContact O-CB 3.28Å; D361-L365 WeakPolarHBondContact O-CB 3.2Å; D361-L365 PolarHBondContact O-N 2.86Å; D361-L365 VanDerWaalsContact O-N 3.08Å; E363-L365 VanDerWaalsContact C-N 3.33Å; E363-L365 PolarHBondContact O-N 3.5Å; L365-Y369 VanDerWaalsContact O-CB 3.31Å; L365-Y369 WeakPolarHBondContact O-CB 3.28Å; L365-Y369 PolarHBondContact O-N 2.92Å
366K86.1Confident83.1Confident75 Ų7583.8 Ų83.833%0.32647%0.472SS..Hα-helixtrans-66.1-46.4175.5-174.6-173.5-179.8-163.20111.2I346 L362 E363 A364 Y369 I370 L384I346-K366 HydrophobicContact CD1-CB 4.38Å; I346-K366 HydrophobicContact CG1-CB 4.31Å; I346-K366 HydrophobicContact CG1-CG 4.38Å; L362-K366 VanDerWaalsContact O-CB 3.28Å; L362-K366 WeakPolarHBondContact O-CB 3.26Å; L362-K366 PolarHBondContact O-N 3.36Å; E363-K366 WeakPolarHBondContact O-CB 3.3Å; E363-K366 PolarHBondContact O-N 3.4Å; A364-K366 VanDerWaalsContact C-N 3.31Å; A364-K366 PolarHBondContact O-N 3.31Å; K366-Y369 PolarHBondContact O-N 3.23Å; K366-I370 HydrophobicContact CG-CD1 4.02Å; K366-I370 VanDerWaalsContact O-CG1 3.26Å; K366-I370 WeakPolarHBondContact O-CG1 3.37Å; K366-I370 PolarHBondContact O-N 3Å; K366-L384 HydrophobicContact CD-CD2 4.2Å
367A85.5Confident82Confident61 Ų6179.5 Ų79.550%0.50447%0.473SS..Hα-helixtrans-61.4-43.9177.600000111.9E363 A364 I370 S371E363-A367 PolarHBondContact O-N 3.42Å; A364-A367 PolarHBondContact O-N 3.19Å; A367-I370 PolarHBondContact O-N 3.38Å; A367-S371 WeakPolarHBondContact O-CB 3.2Å; A367-S371 PolarHBondContact O-N 2.77Å
368E85.6Confident81.3Confident100 Ų10079.2 Ų79.247%0.46746%0.457SS..Hα-helixtrans-62.7-46.9176.9-170.3-174.3-179.900111.4A364 I370 S371 Q372A364-E368 WeakPolarHBondContact O-CB 3.47Å; A364-E368 PolarHBondContact O-N 2.97Å; E368-I370 PolarHBondContact O-N 3.09Å; E368-S371 PolarHBondContact O-N 2.85Å; E368-Q372 HydrophobicContact CG-CG 4.48Å; E368-Q372 WeakPolarHBondContact O-CG 3.36Å; E368-Q372 PolarHBondContact O-N 3.32Å; E368-Q372 PolarHBondContact OE1-NE2 3.41Å
369Y86Confident80.6Confident35 Ų3576.1 Ų76.114%0.13744%0.441CS..Hα-helixtrans-61.7-43.3178.9-172-88.4000112.1L342 A345 I346 L365 K366 Q372 H373 F379L342-Y369 HydrophobicContact CD1-CD1 3.29Å; L342-Y369 HydrophobicContact CD1-CE1 3.61Å; L342-Y369 HydrophobicContact CD1-CG 4.39Å; A345-Y369 HydrophobicContact CB-CE1 3.87Å; A345-Y369 HydrophobicContact CB-CE2 3.78Å; A345-Y369 VanDerWaalsContact CB-OH 3.29Å; A345-Y369 WeakPolarHBondContact CB-OH 3.5Å; I346-Y369 HydrophobicContact CD1-CD1 3.87Å; I346-Y369 HydrophobicContact CD1-CD2 4.06Å; I346-Y369 HydrophobicContact CD1-CG 3.46Å; I346-Y369 VanDerWaalsContact CD1-CG 3.46Å; L365-Y369 VanDerWaalsContact O-CB 3.31Å; L365-Y369 WeakPolarHBondContact O-CB 3.28Å; L365-Y369 PolarHBondContact O-N 2.92Å; K366-Y369 PolarHBondContact O-N 3.23Å; Y369-Q372 PolarHBondContact O-N 3.4Å; Y369-H373 AromaticContact CD1-CD2 3.86Å; Y369-H373 AromaticContact CD2-CD2 3.89Å; Y369-H373 AromaticContact CE1-CD2 3.58Å; Y369-H373 AromaticContact CE2-CD2 3.58Å; Y369-H373 AromaticContact CE2-NE2 3.46Å; Y369-H373 WeakPolarHBondContact CE2-NE2 3.42Å; Y369-H373 AromaticContact CZ-CD2 3.4Å; Y369-H373 VanDerWaalsContact CZ-CD2 3.4Å; Y369-H373 AromaticContact CZ-NE2 3.43Å; Y369-H373 WeakPolarHBondContact O-CB 3.49Å; Y369-H373 PolarHBondContact O-CD2 3.42Å; Y369-H373 VanDerWaalsContact O-CD2 3.3Å; Y369-H373 PolarHBondContact O-N 2.95Å; Y369-H373 PolarHBondContact OH-NE2 3.12Å; Y369-F379 HydrophobicContact CE1-CD2 4.07Å; Y369-F379 AromaticContact CE1-CE2 3.76Å; Y369-F379 HydrophobicContact CE1-CE2 3.76Å; Y369-F379 HydrophobicContact CE1-CZ 4.39Å
370I83.1Confident79.7Confident12 Ų1272.1 Ų72.16%0.06242%0.418CS..Hα-helixtrans-62.1-46.6175.6-67.1166.6000109.8L342 K366 A367 E368 Q372 H373 K374 L384L342-I370 HydrophobicContact CD1-CG1 4.05Å; L342-I370 HydrophobicContact CD2-CD1 4.06Å; L342-I370 HydrophobicContact CD2-CG1 4.13Å; K366-I370 HydrophobicContact CG-CD1 4.02Å; K366-I370 VanDerWaalsContact O-CG1 3.26Å; K366-I370 WeakPolarHBondContact O-CG1 3.37Å; K366-I370 PolarHBondContact O-N 3Å; A367-I370 PolarHBondContact O-N 3.38Å; E368-I370 PolarHBondContact O-N 3.09Å; I370-Q372 PolarHBondContact O-N 2.95Å; I370-H373 CarbonylContact O-C 3.49Å; I370-H373 PolarHBondContact O-N 3.37Å; I370-H373 VanDerWaalsContact O-N 3.15Å; I370-K374 VanDerWaalsContact O-CB 3.32Å; I370-K374 WeakPolarHBondContact O-CB 3.24Å; I370-K374 PolarHBondContact O-N 2.94Å; I370-L384 HydrophobicContact CD1-CD1 4.28Å; I370-L384 HydrophobicContact CD1-CD2 3.63Å; I370-L384 HydrophobicContact CD1-CG 4.12Å
371S83.4Confident78.9Confident88 Ų8875.3 Ų75.362%0.61543%0.434SS*.Hα-helixtrans-59.3-45.6179.6-169.90000112.2A367 E368 H373 K374A367-S371 WeakPolarHBondContact O-CB 3.2Å; A367-S371 PolarHBondContact O-N 2.77Å; E368-S371 PolarHBondContact O-N 2.85Å; S371-H373 VanDerWaalsContact C-N 3.29Å; S371-H373 PolarHBondContact O-N 3.45Å; S371-K374 PolarHBondContact O-N 3.43Å
372Q82.3Confident77.9Confident106 Ų10672.7 Ų72.750%0.49542%0.424SS..Hα-helixtrans-62.6-34.9176.5-71.4-179.214.300112.6E368 Y369 I370E368-Q372 HydrophobicContact CG-CG 4.48Å; E368-Q372 WeakPolarHBondContact O-CG 3.36Å; E368-Q372 PolarHBondContact O-N 3.32Å; E368-Q372 PolarHBondContact OE1-NE2 3.41Å; Y369-Q372 PolarHBondContact O-N 3.4Å; I370-Q372 PolarHBondContact O-N 2.95Å
373H81.7Confident77.1Confident51 Ų5168 Ų6824%0.23640%0.399CS..Hα-helixtrans-97.9-3.9-175.8-78.5-78.5000114.9Y369 I370 S371 N376 T378 F379Y369-H373 AromaticContact CD1-CD2 3.86Å; Y369-H373 AromaticContact CD2-CD2 3.89Å; Y369-H373 AromaticContact CE1-CD2 3.58Å; Y369-H373 AromaticContact CE2-CD2 3.58Å; Y369-H373 AromaticContact CE2-NE2 3.46Å; Y369-H373 WeakPolarHBondContact CE2-NE2 3.42Å; Y369-H373 AromaticContact CZ-CD2 3.4Å; Y369-H373 VanDerWaalsContact CZ-CD2 3.4Å; Y369-H373 AromaticContact CZ-NE2 3.43Å; Y369-H373 WeakPolarHBondContact O-CB 3.49Å; Y369-H373 PolarHBondContact O-CD2 3.42Å; Y369-H373 VanDerWaalsContact O-CD2 3.3Å; Y369-H373 PolarHBondContact O-N 2.95Å; Y369-H373 PolarHBondContact OH-NE2 3.12Å; I370-H373 CarbonylContact O-C 3.49Å; I370-H373 PolarHBondContact O-N 3.37Å; I370-H373 VanDerWaalsContact O-N 3.15Å; S371-H373 VanDerWaalsContact C-N 3.29Å; S371-H373 PolarHBondContact O-N 3.45Å; H373-N376 PolarHBondContact O-N 3.15Å; H373-T378 WeakPolarHBondContact CB-OG1 3.4Å; H373-T378 PolarHBondContact O-OG1 2.75Å; H373-T378 VanDerWaalsContact O-OG1 3.04Å; H373-F379 HydrophobicContact CB-CD2 3.87Å
374K79.1Confident75.9Confident127 Ų12763.9 Ų63.955%0.55238%0.382SS*.Hα-helixtrans-65.9-40.8177.4-172.9171.6-177.6172.40111.6I370 S371 N376 G377I370-K374 VanDerWaalsContact O-CB 3.32Å; I370-K374 WeakPolarHBondContact O-CB 3.24Å; I370-K374 PolarHBondContact O-N 2.94Å; S371-K374 PolarHBondContact O-N 3.43Å; K374-N376 PolarHBondContact O-N 3.44Å; K374-G377 PolarHBondContact O-N 3.23Å
375A70.3Confident74.7Confident94 Ų9467.1 Ų67.178%0.77739%0.388SS*.THydrogen-bonded Turntrans-61.4-25.4177.600000113.2
376N68.4Low73.3Confident107 Ų10772.1 Ų72.157%0.57242%0.415SS*.THydrogen-bonded Turntrans-90.41.1179-65.1-10.7000113H373 K374 T378H373-N376 PolarHBondContact O-N 3.15Å; K374-N376 PolarHBondContact O-N 3.44Å; N376-T378 HydrophobicContact CB-CG2 4.19Å; N376-T378 PolarHBondContact O-N 3.2Å; N376-T378 VanDerWaalsContact O-N 3.13Å
377G68Low71.9Confident69 Ų6972.2 Ų72.271%0.71142%0.419SS*.THydrogen-bonded Turntrans65.112.3-178.200000114.5K374K374-G377 PolarHBondContact O-N 3.23Å
378T67.8Low70.3Confident63 Ų6372.3 Ų72.339%0.38743%0.426SS..SBendtrans-82.3-27.6-173.248.70000114H373 N376H373-T378 WeakPolarHBondContact CB-OG1 3.4Å; H373-T378 PolarHBondContact O-OG1 2.75Å; H373-T378 VanDerWaalsContact O-OG1 3.04Å; N376-T378 HydrophobicContact CB-CG2 4.19Å; N376-T378 PolarHBondContact O-N 3.2Å; N376-T378 VanDerWaalsContact O-N 3.13Å
379F70.1Confident68.6Low21 Ų2172.8 Ų72.89%0.09243%0.43CS..  trans-142141.9178.7-64-75.8000108.5R338 K341 L342 Y369 H373 D383R338-F379 HydrophobicContact CB-CE1 4.41Å; R338-F379 WeakPolarHBondContact O-CE1 3.48Å; K341-F379 HydrophobicContact CB-CE1 4.47Å; K341-F379 HydrophobicContact CB-CZ 4.33Å; L342-F379 HydrophobicContact CB-CD1 4.04Å; L342-F379 HydrophobicContact CB-CE1 3.67Å; L342-F379 HydrophobicContact CB-CZ 4.29Å; L342-F379 HydrophobicContact CD1-CD1 4.19Å; L342-F379 HydrophobicContact CD1-CE1 4.31Å; L342-F379 HydrophobicContact CD1-CG 4.33Å; Y369-F379 HydrophobicContact CE1-CD2 4.07Å; Y369-F379 AromaticContact CE1-CE2 3.76Å; Y369-F379 HydrophobicContact CE1-CE2 3.76Å; Y369-F379 HydrophobicContact CE1-CZ 4.39Å; H373-F379 HydrophobicContact CB-CD2 3.87Å; F379-D383 WeakPolarHBondContact CA-OD2 3.32Å
380S65.5Low66.7Low54 Ų5479.9 Ų79.938%0.37847%0.465SS..  trans-122.6160.5178.1-177.10000109.9S382 D383S380-S382 WeakPolarHBondContact CB-OG 3.21Å; S380-S382 PolarHBondContact O-N 3.47Å; S380-S382 PolarHBondContact OG-OG 2.91Å; S380-D383 PolarHBondContact N-OD2 3.13Å; S380-D383 VanDerWaalsContact O-CB 3.31Å; S380-D383 WeakPolarHBondContact O-CB 3.38Å; S380-D383 PolarHBondContact O-N 2.86Å
381D65.5Low65.3Low97 Ų9786.2 Ų86.252%0.51950%0.497SS..G310 helixtrans-58.6-32.7174.7-16052.7000111.6D383 L384D381-D383 PolarHBondContact O-N 3.04Å; D381-L384 WeakPolarHBondContact O-CB 3.48Å; D381-L384 VanDerWaalsContact O-CG 3.3Å; D381-L384 WeakPolarHBondContact O-CG 3.39Å; D381-L384 PolarHBondContact O-N 2.83Å; D381-L384 VanDerWaalsContact OD1-CD1 3.31Å; D381-L384 WeakPolarHBondContact OD1-CD1 3.42Å
382S66.6Low63.7Low46 Ų4688.3 Ų88.332%0.32250%0.501SS..G310 helixtrans-65.5-2.7173.462.50000115.2R335 S380 L384R335-S382 PolarHBondContact NE-O 3.1Å; S380-S382 WeakPolarHBondContact CB-OG 3.21Å; S380-S382 PolarHBondContact O-N 3.47Å; S380-S382 PolarHBondContact OG-OG 2.91Å; S382-L384 VanDerWaalsContact C-N 3.29Å
383D66.6Low62.2Low6 Ų688.4 Ų88.43%0.03251%0.509CS..G310 helixtrans-85.2-4.1168.4-63.8-51.1000111.7F379 S380 D381F379-D383 WeakPolarHBondContact CA-OD2 3.32Å; S380-D383 PolarHBondContact N-OD2 3.13Å; S380-D383 VanDerWaalsContact O-CB 3.31Å; S380-D383 WeakPolarHBondContact O-CB 3.38Å; S380-D383 PolarHBondContact O-N 2.86Å; D381-D383 PolarHBondContact O-N 3.04Å
384L59.9Low60.6Low68 Ų6892.6 Ų92.636%0.35654%0.538SS..SBendtrans-89.9-26.2176.2-61.9178.8000113.8K366 I370 D381 S382 D386K366-L384 HydrophobicContact CD-CD2 4.2Å; I370-L384 HydrophobicContact CD1-CD1 4.28Å; I370-L384 HydrophobicContact CD1-CD2 3.63Å; I370-L384 HydrophobicContact CD1-CG 4.12Å; D381-L384 WeakPolarHBondContact O-CB 3.48Å; D381-L384 VanDerWaalsContact O-CG 3.3Å; D381-L384 WeakPolarHBondContact O-CG 3.39Å; D381-L384 PolarHBondContact O-N 2.83Å; D381-L384 VanDerWaalsContact OD1-CD1 3.31Å; D381-L384 WeakPolarHBondContact OD1-CD1 3.42Å; S382-L384 VanDerWaalsContact C-N 3.29Å; L384-D386 PolarHBondContact O-N 3.38Å
385E59.9Low58.9Low121 Ų12189.3 Ų89.357%0.56554%0.54SS*.  trans-76.2116.6-179.7-65.2176.7166.200109.4D387E385-D387 VanDerWaalsContact C-N 3.29Å; E385-D387 PolarHBondContact O-N 3.04Å; E385-D387 VanDerWaalsContact O-N 3.08Å
386D58.6Low57.2Low113 Ų11388.4 Ų88.460%0.60454%0.54SS*.  trans-72.289.8164.6-160.359.6000106.3R339 L384 G388R339-D386 IonicContact CZ-OD1 3.6Å; R339-D386 IonicContact NH1-OD1 2.67Å; R339-D386 PolarHBondContact NH1-OD1 3.4Å; R339-D386 IonicContact NH2-OD1 3.11Å; L384-D386 PolarHBondContact O-N 3.38Å; D386-G388 PolarHBondContact O-N 2.88Å
387D55.6Low56.2Low78 Ų7889.1 Ų89.142%0.41755%0.548SS..  trans-61.6102161.8-54.8-83.9000104.8R335 E385 I389R335-D387 IonicContact CZ-OD2 3.5Å; R335-D387 IonicContact NE-OD2 3.64Å; R335-D387 IonicContact NH1-OD1 3.3Å; R335-D387 IonicContact NH1-OD2 2.91Å; R335-D387 PolarHBondContact NH1-OD2 2.98Å; R335-D387 IonicContact NH2-OD2 3.04Å; E385-D387 VanDerWaalsContact C-N 3.29Å; E385-D387 PolarHBondContact O-N 3.04Å; E385-D387 VanDerWaalsContact O-N 3.08Å; D387-I389 HydrophobicContact CB-CG1 4.45Å; D387-I389 PolarHBondContact O-N 2.96Å
388G52Low55.2Low62 Ų6292.2 Ų92.264%0.63955%0.549SS*.  trans-64.558.3-177.800000112.3D386 Q390D386-G388 PolarHBondContact O-N 2.88Å; G388-Q390 PolarHBondContact O-N 3.38Å
389I50.2Low54.1Low110 Ų11094.1 Ų94.156%0.56456%0.564SS**  trans-69.587.9163.9-53.9174.5000104.5A332 D387 I391A332-I389 HydrophobicContact CB-CD1 4.16Å; D387-I389 HydrophobicContact CB-CG1 4.45Å; D387-I389 PolarHBondContact O-N 2.96Å; I389-I391 PolarHBondContact O-N 3.1Å
390Q46.1Very low53.2Low184 Ų184101 Ų10186%0.8660%0.602SS**  trans-50.6106.2159.6-106.3171.8-22.600106.4G388 D392G388-Q390 PolarHBondContact O-N 3.38Å; Q390-D392 VanDerWaalsContact C-N 3.27Å; Q390-D392 PolarHBondContact O-N 3.15Å
391I53.5Low52.3Low146 Ų146105.7 Ų105.775%0.74962%0.623SS**  trans-69.7101.9159-59.4172.7000103.1I389 V393I389-I391 PolarHBondContact O-N 3.1Å; I391-V393 VanDerWaalsContact C-N 3.29Å; I391-V393 PolarHBondContact O-N 2.83Å
392D49Very low51.5Low131 Ų131110.2 Ų110.270%0.70164%0.641SS**  trans-59.799.1169.2-170.215.5000106.9Q390 V394Q390-D392 VanDerWaalsContact C-N 3.27Å; Q390-D392 PolarHBondContact O-N 3.15Å; D392-V394 PolarHBondContact O-N 2.93Å
393V51.5Low50.3Low109 Ų109111.1 Ų111.166%0.66166%0.657SS**  trans-70.993.4167.7172.60000104.1I391 G395I391-V393 VanDerWaalsContact C-N 3.29Å; I391-V393 PolarHBondContact O-N 2.83Å; V393-G395 PolarHBondContact O-N 3.35Å
394V48.3Very low49.2Very low139 Ų139118.6 Ų118.684%0.84270%0.697SS**SBendtrans-62.289.8166.61790000106.8D392D392-V394 PolarHBondContact O-N 2.93Å
395G42.7Very low48.7Very low58 Ų58118.8 Ų118.860%0.59870%0.704SS**  trans173.241.4-170.600000108.7V393 T397V393-G395 PolarHBondContact O-N 3.35Å; G395-T397 PolarHBondContact O-N 3.02Å
396G36.2Very low47.9Very low74 Ų74120.4 Ų120.476%0.76372%0.717SS**  trans-82102.3174.300000110.6
397T47.4Very low47.4Very low123 Ų123119.3 Ų119.376%0.75572%0.723SS**  trans-149.9126.7143.489.50000102G395G395-T397 PolarHBondContact O-N 3.02Å
398D45.7Very low47Very low134 Ų134121.7 Ų121.772%0.71774%0.741SS**  cis-149.4146.937.2-91.9-103.8000109.2
399S45.8Very low46.9Very low103 Ų103123.8 Ų123.872%0.7275%0.745SS**  trans-57.7127.2159.838.40000111.7
400D50.7Low47Very low166 Ų166124 Ų12489%0.88875%0.754SS**  trans-145.9122.4152.5-77.9-51.8000109
401D45.7Very low46.9Very low152 Ų152121.1 Ų121.181%0.81375%0.749SS**  trans-104.1122-170.7-173.4-92.1000108.1
402E49Very low46.4Very low192 Ų192124 Ų12490%0.89775%0.75SS**  trans-172.3130.9163.7-74.1-56.1143.300104.9
403G42.4Very low46.3Very low64 Ų64125.5 Ų125.566%0.6676%0.757SS**  cis154171.215.700000106.3
404D43.6Very low45.8Very low163 Ų163123.9 Ų123.987%0.87276%0.763SS**  trans90.6135.2169.7-140.862.2000116.6
405S48.6Very low45.5Very low73 Ų73121.5 Ų121.551%0.5177%0.766SS.*  cis-172.7173.3-11.544.70000108.8
406D44.2Very low45.5Very low154 Ų154122.5 Ų122.582%0.82478%0.777SS**  trans95.4111.4157.3-62.5-31.2000122
407A46.7Very low45.9Very low90 Ų90123.1 Ų123.174%0.74478%0.782SS**  122100.6122.900000119.5
408V48Very low45.7Very low129 Ų129120.9 Ų120.978%0.78278%0.784SS**  89.494.4128.2-176.60000119.8
409S49.4Very low45.7Very low105 Ų105118.7 Ų118.773%0.73479%0.793SS**  84.2154.4122.6-61.10000120.4
410P51.4Low45.7Very low116 Ų116117.5 Ų117.575%0.75380%0.797SS**  -131.4175.1-88.325-0.5000111.7
411V45.2Very low45.4Very low122 Ų122113.9 Ų113.974%0.73980%0.799SS**  trans166.9113.2134.6151.50000111.7
412R42.7Very low45.3Very low208 Ų208109.5 Ų109.579%0.78579%0.79SS**  trans86117.1137.6-76-178.8-164.1-110.9-0122.4
413L46.8Very low45.1Very low162 Ų162107.5 Ų107.585%0.84879%0.791SS**  trans75.3120135.3-60.1162.4000115.5
414G41.2Very low45.3Very low75 Ų75108.3 Ų108.377%0.77380%0.799SS**  cis168.6155.2400000109.8
415G41.7Very low45.3Very low89 Ų89104.5 Ų104.592%0.91880%0.798SS**  trans80.5128.4163.900000115.6
416G43.8Very low44.9Very low79 Ų79105 Ų10581%0.81482%0.815SS**  cis161.3138.42.900000109.5
417G43.5Very low44.8Very low86 Ų86101.6 Ų101.689%0.88782%0.817SS**  trans77.5134.1160.700000116.6
418G44.7Very low44.4Very low76 Ų76101.5 Ų101.578%0.78482%0.824SS**  cis158.5139.3300000110.1
419G45.5Very low44.1Very low89 Ų8999.2 Ų99.292%0.91883%0.827SS**  trans75.9131.4156.400000116.7
420G44.9Very low43.6Very low78 Ų7898.3 Ų98.380%0.80483%0.834SS**  cis138.6125.99.200000109.2
421G43.9Very low43.2Very low89 Ų8997.2 Ų97.292%0.91883%0.834SS**  trans64.3148158.200000117.5
422G44.5Very low43Very low60 Ų6097.4 Ų97.462%0.61984%0.842SS**  cis171138.85.800000108
423T45Very low43.2Very low151 Ų15192.6 Ų92.693%0.92684%0.84SS**  68.2134.112864.80000121.2
424G45.2Very low42.8Very low80 Ų8090.5 Ų90.583%0.82584%0.838SS**  trans106.8114.9159.300000111.1
425G44Very low42.9Very low83 Ų8394.6 Ų94.686%0.85684%0.842SS**  cis112.5117.228.400000108.5
426G41.5Very low42.8Very low83 Ų8398.9 Ų98.986%0.85684%0.837SS**  trans101.4104.5154.500000117.8
427G40.6Very low42.6Very low84 Ų84100.5 Ų100.587%0.86684%0.835SS**  83.5107.6109.900000119.4
428G39.7Very low42.4Very low88 Ų8899 Ų9991%0.90782%0.82SS**  80.5113.1124.600000118.2
429G40.9Very low42.5Very low81 Ų81103.5 Ų103.584%0.83583%0.825SS**  trans178.297.3163.600000111.3
430G39Very low42.3Very low86 Ų86107 Ų10789%0.88782%0.823SS**  trans-73.3141169.100000111
431A43.8Very low42.4Very low92 Ų92106.9 Ų106.976%0.7682%0.822SS**  trans-155.4116.415600000109
432S40.5Very low42.4Very low127 Ų127110.8 Ų110.889%0.88882%0.822SS**  trans-49.2129.6160.737.60000111.9
433S45.6Very low42.5Very low107 Ų107111.4 Ų111.475%0.74883%0.828SS**  trans-138.3119.2154.846.70000109.3
434S40Very low42.4Very low117 Ų117110.8 Ų110.882%0.81882%0.819SS**  trans-67.4125.6167.3-165.90000108
435L43.2Very low42.4Very low161 Ų161112.6 Ų112.684%0.84382%0.819SS**  trans-131.1100.3163.7-74.7176.3000108.5
436H38.2Very low42.4Very low179 Ų179113.4 Ų113.483%0.82981%0.812SS**  trans-82.9119.4158.7-178.992.1000107.3
437C41.3Very low42.4Very low113 Ų113121.6 Ų121.676%0.76482%0.817SS**  trans-143.9109.4156.749.20000108.2
438G39.4Very low42.5Very low56 Ų56122.6 Ų122.658%0.57782%0.817SS**  trans-73.6144.9161.100000109.7
439L46.1Very low42.6Very low169 Ų169122.3 Ų122.389%0.88581%0.814SS**  trans-135.4114.6158.8-74175.2000107
440D40.9Very low42.8Very low163 Ų163123.1 Ų123.187%0.87281%0.807SS**  trans-55.6145.8166.1-59.9-82.3000111.1
441G47.7Very low43.1Very low76 Ų76129 Ų12978%0.78481%0.808SS**  trans-156.573.5179.300000110.9
442D42.6Very low43Very low171 Ų171131.6 Ų131.691%0.91481%0.808SS**  trans-62.7133162.8-74.7-68.6000110.3
443G47.1Very low43.1Very low73 Ų73129.3 Ų129.375%0.75381%0.805SS**  trans-157.873.3179.500000111.4
444D42.4Very low43.1Very low137 Ų137128.3 Ų128.373%0.73381%0.811SS**  trans-62.9129.2165-170.2-79.2000109.7S446D444-S446 PolarHBondContact OD1-N 3.35Å; D444-S446 PolarHBondContact OD1-OG 3.16Å; D444-S446 VanDerWaalsContact OD1-OG 3.09Å
445S46.9Very low43.2Very low119 Ų119126.7 Ų126.783%0.83281%0.813SS**  trans-145.582.7160.9-80.90000109R447S445-R447 PolarHBondContact O-N 3.4Å
446S42.1Very low43Very low100 Ų100123 Ų12370%0.69981%0.814SS**  trans-30.1122.7156.5-67.60000114.6D444D444-S446 PolarHBondContact OD1-N 3.35Å; D444-S446 PolarHBondContact OD1-OG 3.16Å; D444-S446 VanDerWaalsContact OD1-OG 3.09Å
447R41.6Very low43.3Very low254 Ų254120.4 Ų120.496%0.95882%0.816SS**  trans-134.692.1155.3-114.1176.8163.5168.8-4.2109.2S445S445-R447 PolarHBondContact O-N 3.4Å
448A42.6Very low43.6Very low106 Ų106123.3 Ų123.388%0.87682%0.823SS**  trans-74.7135.7171.600000110.9
449G43.5Very low43.6Very low81 Ų81124.5 Ų124.584%0.83584%0.835SS**  trans-13594165.400000108
450S43.6Very low43.5Very low99 Ų99122.1 Ų122.169%0.69283%0.832SS**  trans-74.6131.4-177.3-163.60000111
451F45.8Very low43.9Very low208 Ų208120.3 Ų120.391%0.91283%0.83SS**  trans-130.4116.1157.6-147.9-92.4000108.9
452I42.7Very low43.8Very low148 Ų148122.4 Ų122.476%0.75983%0.832SS**  trans-103.6136.2-177.8-58.6169.5000106.8
453G42.2Very low43.8Very low79 Ų79119.1 Ų119.181%0.81482%0.823SS**  trans152.9111.7157.400000115.5
454G45.3Very low43.9Very low85 Ų85122.5 Ų122.588%0.87683%0.828SS**  trans134.478.4155.900000115.3
455G41.2Very low44.3Very low84 Ų84119.7 Ų119.787%0.86682%0.824SS**  trans-99.4171.7168.500000113.6
456G39.7Very low44.7Very low83 Ų83119.8 Ų119.886%0.85682%0.822SS**  trans110.6131.6171.200000112.4
457S45.6Very low45.8Very low125 Ų125121.2 Ų121.287%0.87483%0.829SS**  cis-160.6153.812.4-174.70000109.6
458L46.2Very low45.8Very low174 Ų174114 Ų11491%0.91182%0.817SS**  trans-71.7153.9178.6-62.7161.6000112.5
459G40.6Very low46.4Very low80 Ų80117.3 Ų117.383%0.82582%0.817SS**  trans-178.394.316700000113.5
460S42.7Very low46.3Very low120 Ų120121 Ų12184%0.83982%0.816SS**  trans-118.7174.6160.1-71.10000107.1
461P50.9Low46.4Very low125 Ų125121 Ų12181%0.81282%0.816SS**  cis-131.3167.4-35.132.2-14.5000111.8
462S44.5Very low46.3Very low119 Ų119118.9 Ų118.983%0.83282%0.815SS**  trans-164.6133153.6-170.10000114.4
463S42.6Very low46.4Very low103 Ų103115.4 Ų115.472%0.7282%0.816SS**  trans-27.2133.5161.8-179.50000118
464V49.6Very low46.4Very low143 Ų143116 Ų11687%0.86781%0.813SS**  trans-147.9123.5143.81760000109.6
465A50.6Low46.4Very low79 Ų79117.9 Ų117.965%0.65381%0.807SS**PPolyproline II helixtrans-76164.3178.500000113.7
466P54.4Low46.5Very low121 Ų121122 Ų12279%0.78680%0.804SS**PPolyproline II helixtrans-89.1152175.935.8-31.5000112.1
467P65.4Low46.6Very low129 Ų129127.5 Ų127.584%0.83880%0.804SS**PPolyproline II helixtrans-91.6139.7174.434.4-29.3000112.4
468S41.9Very low46.7Very low103 Ų103125.4 Ų125.472%0.7280%0.803SS**PPolyproline II helixtrans-93.2135.2172.136.60000111.6
469M55Low46.6Very low175 Ų175125.3 Ų125.386%0.86280%0.795SS**  trans-151.699.7161-75.5-70.9150.100106.4
470L42.4Very low46.7Very low158 Ų158127.8 Ų127.883%0.82779%0.789SS**  51.310195-71.6163.7000114.9
471S46.2Very low47.1Very low99 Ų99129 Ų12969%0.69278%0.781SS**  159.7136.498.475.20000113.8
472N43.4Very low46.6Very low164 Ų164128.2 Ų128.288%0.87778%0.776SS**  trans85.2120.5146-58.9-7.8000122.5
473G43.7Very low47.3Very low76 Ų76130.9 Ų130.978%0.78478%0.778SS**  trans124.667.4154.700000115
474A42Very low47.1Very low92 Ų92133.8 Ų133.876%0.7679%0.785SS**  76.1108.592.300000116.4
475V45.1Very low46.8Very low124 Ų124130.6 Ų130.675%0.75278%0.781SS**  trans75.1129.2138.8-171.80000115.8
476Q44.6Very low46.4Very low169 Ų169132.8 Ų132.879%0.7978%0.782SS**  cis-164.2142.121.5-132152.919.500110.7
477F40.4Very low45.7Very low199 Ų199134.5 Ų134.587%0.87378%0.779SS**  trans41.9124.7139.3-86.2-99.4000123.8
478G47.9Very low44.5Very low82 Ų82132.6 Ų132.685%0.84577%0.769SS**  trans177.1123.8155.300000109.9
479K44Very low44.6Very low171 Ų171136.4 Ų136.474%0.74378%0.775SS**  trans-125.9155.8-147.5164.6162.8175.1172.50112
480L44.5Very low44.1Very low133 Ų133135.2 Ų135.270%0.69677%0.768SS**  trans82.1135.7166.6-64.6134.8000116.9
481E49.4Very low44.3Very low144 Ų144136.4 Ų136.467%0.67376%0.761SS**  cis-166.1149.3-4.1-82.5-88.6116.200106.4
482P41.9Very low43.9Very low109 Ų109138.8 Ų138.871%0.70877%0.766SS**  trans-108.3137.9163.835-23.1000111.7
483M59.3Low44Very low176 Ų176141.1 Ų141.187%0.86776%0.763SS**  trans-116.5108.3169.8-82.6-74.9172.900109.4
484D38.5Very low44Very low164 Ų164146.7 Ų146.788%0.87777%0.768SS**  trans-93.1151.8163.6-77.6-55000110.2
485G43Very low43.9Very low75 Ų75153.7 Ų153.777%0.77378%0.775SS**  trans123.5133.117300000111
486N40.8Very low43.6Very low126 Ų126155.6 Ų155.667%0.67478%0.781SS**  cis-170.4144.913.3-163.134.1000106.9
487E40.7Very low43.4Very low157 Ų157153.2 Ų153.273%0.73478%0.783SS**  trans31.4142.9135.2-62.5167.5167.900119.5
488S40.2Very low43.5Very low89 Ų89149.3 Ų149.362%0.62278%0.778SS**  cis180152.5-1.6-80.50000104.1
489E43.1Very low43.2Very low183 Ų183154.4 Ų154.486%0.85578%0.777SS**  trans44.8107.1149.1-68168.510000120.1
490E46Very low43.8Very low150 Ų150152.6 Ų152.670%0.70178%0.782SS**  -157.8105.4129-160.8138.4-146.600113.9
491R45Very low43.6Very low183 Ų183153.7 Ų153.769%0.69179%0.788SS**  trans35.7118.1134.6-63.8-176.1-86.5-155.2-7.7120.9
492D38.6Very low43.1Very low149 Ų149152.8 Ų152.880%0.79779%0.787SS**  14.2116.5126.1-69.6-54.8000117.9
493R45.9Very low43Very low212 Ų212157.8 Ų157.880%0.880%0.798SS**  trans150.6107.3156.8-85.1166.4-149.9109.9-11.5104.6
494E42.4Very low42.2Very low194 Ų194153.9 Ų153.991%0.90779%0.786SS**  -163.1130.769.9-88.6175.9129.300109.8
495R39.8Very low42.1Very low238 Ų238150.5 Ų150.590%0.89878%0.781SS**  trans-75159154.4-72.7171.6-124.8-146.2-3.6108.1
496D39.4Very low42Very low164 Ų164157 Ų15788%0.87779%0.788SS**  trans88.695.1170.3-70.4-30000118.5
497S39.8Very low41.7Very low120 Ų120155 Ų15584%0.83979%0.789SS**  -157.1148.2124.3-121.60000113.1
498P44.3Very low41.6Very low116 Ų116156.2 Ų156.275%0.75379%0.792SS**  trans-99.4156.3-144.936.9-33.8000115
499K41.6Very low41.7Very low190 Ų190158.7 Ų158.783%0.82679%0.793SS**  trans-59.9142.2167.2-65.3167.8-178.8165.90110.7L501K499-L501 PolarHBondContact O-N 2.91Å; K499-L501 VanDerWaalsContact O-N 3.1Å
500P56.2Low41.5Very low133 Ų133159 Ų15986%0.86480%0.795SS**  trans-71106.4165.228.1-30.3000110.4
501L39.6Very low41.4Very low155 Ų155158.8 Ų158.881%0.81280%0.798SS**  trans-60.8156.1144.2-50.8169.3000106.6K499K499-L501 PolarHBondContact O-N 2.91Å; K499-L501 VanDerWaalsContact O-N 3.1Å
502L39.5Very low40.9Very low126 Ų126157.2 Ų157.266%0.6680%0.803SS**  cis174.8137.539.6-178.960.8000105.2P504L502-P504 HydrophobicContact CD1-CG 4.14Å
503F40.2Very low40.9Very low214 Ų214156.5 Ų156.594%0.93980%0.799SS**  trans-158.7114.6134-93.5-63.9000108.6
504P41.8Very low40.3Very low94 Ų94154.1 Ų154.161%0.6180%0.796SS**  trans-107165.5-176.339.8-31.5000113L502L502-P504 HydrophobicContact CD1-CG 4.14Å
505A36.8Very low39.8Very low93 Ų93150.5 Ų150.577%0.76979%0.793SS**  trans71.6113.8142.800000121.2
506K39.4Very low39.8Very low210 Ų210144.1 Ų144.191%0.91378%0.784SS**  trans-7.5128.8133-68.8166.6173.7169.80116.1
507A35.9Very low39.5Very low84 Ų84143.9 Ų143.969%0.69478%0.778SS**  177.1167.9124.700000110.7
508F38Very low39.6Very low184 Ų184146.1 Ų146.181%0.80778%0.775SS**  trans82.4122.8172.8-74-123.1000114.9
509H42.6Very low39.2Very low140 Ų140147.6 Ų147.665%0.64877%0.772SS**  cis-15813922.4-125.225.4000111.7
510Q38.8Very low39.3Very low189 Ų189147.3 Ų147.388%0.88377%0.773SS**  trans-98.8112.9167.8169.4162.539.700108.3
511L43.7Very low38.4Very low146 Ų146144 Ų14476%0.76476%0.764SS**  trans-165.9140.6167.1-71.2-176.2000105.1
512N35.5Very low38.4Very low150 Ų150144.8 Ų144.880%0.80277%0.768SS**  cis-161151.88-168.43.5000108.2
513L38.6Very low38.5Very low135 Ų135144.3 Ų144.371%0.70777%0.77SS**  trans-69.9167.8168.7-124.864.2000111
514Q33.3Very low38.6Very low161 Ų161140.6 Ų140.675%0.75276%0.764SS**  trans87.9133.3154.4-116.781.318.200121.3
515S31.9Very low38.8Very low118 Ų118139.9 Ų139.983%0.82577%0.774SS**  trans79.8139.9160.279.70000116.4
516S38.4Very low39Very low104 Ų104144.5 Ų144.573%0.72778%0.78SS**  cis-152.4138.719.7-169.20000111.7
517Q34Very low39.2Very low159 Ų159138.4 Ų138.474%0.74378%0.776SS**  trans-57.8145.5159.2-165.7-177.58100110.7
518Q41.7Very low39.4Very low167 Ų167143.5 Ų143.578%0.7879%0.786SS**  trans18099.7152.6-99.4166.843.400108
519H35.9Very low39.6Very low148 Ų148138.7 Ų138.769%0.68579%0.788SS**  74153.185.8-90.3-86.4000115.6
520H43.1Very low39.6Very low183 Ų183138.1 Ų138.185%0.84780%0.8SS**  trans90.9111.6-177.2-40.2-63.4000114.5
521G38.3Very low39.7Very low65 Ų65132.5 Ų132.567%0.6779%0.792SS**  cis134.4127.75.800000111.5
522L38.3Very low39.5Very low171 Ų171132 Ų13290%0.89580%0.801SS**  trans76140159.7-64.2137.6000117.4
523V42.7Very low39.8Very low116 Ų116128.2 Ų128.270%0.70380%0.798SS**  cis-159.5126.721.6113.30000108.8
524V41.2Very low39.9Very low135 Ų135131.1 Ų131.182%0.81881%0.807SS**  61.1121.8102.8-175.20000117.1
525G46.6Very low40.3Very low79 Ų79126.7 Ų126.781%0.81481%0.806SS**  trans178.384.4162.800000113.5
526Q40.6Very low40.8Very low191 Ų191130.5 Ų130.589%0.89381%0.81SS**  trans-70.7157.6176.6-74.4172.2-1900113.6
527G44.4Very low40.9Very low82 Ų82128.5 Ų128.585%0.84581%0.805SS**  trans-176.393.4163.100000112.1
528Q40Very low41.4Very low191 Ų191129 Ų12989%0.89381%0.808SS**  trans-81156.8178.8-64.1169.16.400111.7
529G42.4Very low41.4Very low83 Ų83127.4 Ų127.486%0.85680%0.8SS**  trans-179.2116.2165.800000112.9
530S41.7Very low41.7Very low127 Ų127127.8 Ų127.889%0.88880%0.801SS**  trans-105164.4-160.545.60000115.2
531G41.2Very low41.6Very low71 Ų71124.7 Ų124.773%0.73279%0.791SS**  trans113.3103.7152.300000114.2
532S40.7Very low41.9Very low135 Ų135128.2 Ų128.294%0.94479%0.79SS**  73.8125.369.3-160.20000114.4
533G41.2Very low42.1Very low72 Ų72126.8 Ų126.874%0.74278%0.778SS**  trans151.8109.1159.800000116.3
534H40.1Very low42Very low195 Ų195129.8 Ų129.890%0.90379%0.785SS**  trans-81.4165.1179.3-75.260.6000114.3
535G41.4Very low41.9Very low69 Ų69131 Ų13171%0.71178%0.781SS**  trans148.291.5152.400000113.6
536H42.3Very low41.8Very low198 Ų198136.1 Ų136.192%0.91778%0.784SS**  59.4122.193.6-87.849.3000117.1
537G42.1Very low41.6Very low61 Ų61133.5 Ų133.563%0.62978%0.775SS**  trans138.3106.9135.600000118.5
538H43.4Very low41.6Very low171 Ų171138.5 Ų138.579%0.79278%0.776SS**  trans61.4151.3131.9-71.874.8000121
539Q41.8Very low41.7Very low133 Ų133138.2 Ų138.262%0.62177%0.774SS**  cis175.4148.8-24-105.5-156.366.900104.5
540H42.5Very low41.5Very low155 Ų155137.8 Ų137.872%0.71877%0.77SS**  trans67.9146162.7-73.466.1000117.4
541N41.3Very low41.2Very low118 Ų118137.8 Ų137.863%0.63177%0.77SS**  cis-166.3145.829.1-147.88.8000112.6
542H44.5Very low41.1Very low140 Ų140138.8 Ų138.865%0.64877%0.771SS**  trans63.5128.6133.4-84-8.8000127.9
543H41.6Very low40.8Very low140 Ų140138.5 Ų138.565%0.64877%0.769SS**  trans68137.1139.5-69.197.1000118
544Q40.8Very low40.8Very low180 Ų180139.2 Ų139.284%0.84177%0.768SS**  cis-169.1165.137.9-134.5173.661.400111.5
545H39.9Very low40.7Very low160 Ų160135.4 Ų135.474%0.74176%0.763SS**  trans-55.3144.7-178.2-84.1-121.5000118
546H42.9Very low40.3Very low187 Ų187136.3 Ų136.387%0.86677%0.765SS**  -159.6127.4126.1-116.254.1000113.2
547L38.2Very low39.9Very low135 Ų135131.9 Ų131.971%0.70776%0.762SS**  trans-81.1136.1172.8-76.7155.5000109.8
548H42.9Very low39.7Very low188 Ų188133.9 Ų133.987%0.8777%0.772SS**  trans-147126.3147.9-102.4158.7000111.2
549H41.9Very low39.4Very low184 Ų184130.6 Ų130.685%0.85278%0.775SS**  trans-68.6139.4172.7-73.1-95.1000110.7
550G38.8Very low39Very low75 Ų75131.2 Ų131.277%0.77379%0.788SS**  trans-166.799.1170.900000110.5
551S35.1Very low38.9Very low127 Ų127128.1 Ų128.189%0.88879%0.789SS**  trans-61129.4172.659.10000111.1
552A39.5Very low38.8Very low91 Ų91130.1 Ų130.175%0.75280%0.799SS**  trans-153.197.5158.300000109.8A554A552-A554 PolarHBondContact O-N 3.17Å
553S34.6Very low38.3Very low129 Ų129131 Ų13190%0.90281%0.808SS**  trans-65.2113.8157.650.30000108.8
554A41Very low38.6Very low88 Ų88130.4 Ų130.473%0.72781%0.814SS**  trans-132.6118.9173.800000110.9A552A552-A554 PolarHBondContact O-N 3.17Å
555S38.7Very low38.5Very low114 Ų114129.1 Ų129.180%0.79781%0.808SS**  trans53.1106.9143.8-143.20000118.2
556A32.9Very low38.5Very low89 Ų89131 Ų13174%0.73682%0.817SS**  53.2121.373.700000114.9
557A34Very low38.4Very low104 Ų104127.8 Ų127.886%0.8681%0.81SS**  trans76.998.6156.900000118.8
558A36.4Very low38.2Very low103 Ų103126.7 Ų126.785%0.85181%0.814SS**  trans-158.2148.2147.100000111.2
559A37.8Very low38.2Very low103 Ų103122.9 Ų122.985%0.85181%0.806SS**  trans88.365.8165.700000118.4
560V33.9Very low37.8Very low146 Ų146121.4 Ų121.489%0.88580%0.803SS**  trans-77.1150.5131.4-104.40000108.8
561A40.6Very low37.7Very low89 Ų89123.5 Ų123.574%0.73681%0.806SS**  trans95.496.8174.800000116.8
562N38.9Very low38Very low160 Ų160125.3 Ų125.386%0.85680%0.802SS**  -172108112.2-101.8-25.3000110.7
563L33.9Very low38.2Very low160 Ų160132.4 Ų132.484%0.83881%0.81SS**  trans-100.9106.4166.1179.266000106.3
564V47.1Very low38.8Very low126 Ų126138 Ų13876%0.76481%0.811SS**  trans-117.8129.7165.9170.20000108.1
565H40.4Very low38.9Very low153 Ų153138.8 Ų138.871%0.70881%0.811SS**  trans-52.3140.9-176.3-73.5-139.5000113.1
566Q38.6Very low38.9Very low199 Ų199138.6 Ų138.693%0.9380%0.801SS**  trans-157.6125.4139.1-107.6169.387.500110.1
567T40.3Very low39.5Very low120 Ų120139.3 Ų139.374%0.73680%0.798SS**  trans-96132.1-169.447.20000111.8
568S35.6Very low40.1Very low113 Ų113142.9 Ų142.979%0.7980%0.795SS**  trans71.4160148.8-53.80000118.7
569P41.9Very low40.3Very low107 Ų107140.4 Ų140.470%0.69577%0.771SS**  cis-136.7163.38.635-13.6000117.6
570I34.2Very low40.8Very low153 Ų153142.3 Ų142.379%0.78577%0.766SS**  trans64.899.4145-63.5158.3000118.2
571S36.4Very low41.4Very low120 Ų120143.3 Ų143.384%0.83976%0.761SS**  trans-94.1103.3160.4-167.80000109.4R573S571-R573 PolarHBondContact O-N 2.81Å
572M42.3Very low41.5Very low164 Ų164142.7 Ų142.781%0.80875%0.751SS**  trans-54.1120.6162.4-81-174.4-70.800109R574M572-R574 PolarHBondContact O-N 3.48Å
573R43.8Very low41.8Very low241 Ų241142.7 Ų142.791%0.90975%0.75SS**  trans-57.4105.9169.8-67.9-171.3-176.9-167.63.7108.6S571 S575S571-R573 PolarHBondContact O-N 2.81Å; R573-S575 PolarHBondContact O-N 3Å; R573-S575 VanDerWaalsContact O-N 3.13Å
574R45.2Very low42.5Very low246 Ų246142 Ų14293%0.92875%0.746SS**  trans-65.8108.6161.3-85179.1176.8-108.50.4107.7M572M572-R574 PolarHBondContact O-N 3.48Å
575S43.2Very low42.6Very low105 Ų105144.6 Ų144.673%0.73475%0.748SS**  trans-55141.5160420000109.4R573 P577R573-S575 PolarHBondContact O-N 3Å; R573-S575 VanDerWaalsContact O-N 3.13Å; S575-P577 WeakPolarHBondContact O-CD 3.43Å
576N38.9Very low42.7Very low109 Ų109144.7 Ų144.758%0.58375%0.754SS**  trans-64.3115.6176.8-176.539.3000109.3F578N576-F578 PolarHBondContact O-N 2.68Å
577P47Very low42.7Very low105 Ų105142.9 Ų142.968%0.68275%0.751SS**THydrogen-bonded Turntrans-76.319.3-177.132.2-34.5000113.5S575S575-P577 WeakPolarHBondContact O-CD 3.43Å
578F45.1Very low42.9Very low178 Ų178147.7 Ų147.778%0.78178%0.78SS**THydrogen-bonded Turntrans-129.918-178.7-71.5-76.4000113.1N576 I580N576-F578 PolarHBondContact O-N 2.68Å; F578-I580 PolarHBondContact O-N 3.45Å
579S41.5Very low43.2Very low52 Ų52149.4 Ų149.436%0.36478%0.779SS.*  trans-78.5118.7165.4-151.60000108.6E581 S582S579-E581 PolarHBondContact O-N 3.49Å; S579-S582 PolarHBondContact O-N 3.01Å; S579-S582 VanDerWaalsContact O-N 3.1Å; S579-S582 PolarHBondContact O-OG 3.1Å
580I49Very low43.3Very low142 Ų142151.6 Ų151.673%0.72878%0.784SS**G310 helixtrans-61.5-8.4176.8-65.2172.5000111.5F578F578-I580 PolarHBondContact O-N 3.45Å
581E45.4Very low43.8Very low167 Ų167151.6 Ų151.678%0.7878%0.784SS**G310 helixtrans-86.8-4.3175.2-71.8-179.9159.600115.2S579S579-E581 PolarHBondContact O-N 3.49Å
582S42.7Very low44.3Very low77 Ų77153.4 Ų153.454%0.53878%0.78SS.*G310 helixtrans-101.35176.938.60000115S579S579-S582 PolarHBondContact O-N 3.01Å; S579-S582 VanDerWaalsContact O-N 3.1Å; S579-S582 PolarHBondContact O-OG 3.1Å
583L46.4Very low44.4Very low159 Ų159152.8 Ų152.883%0.83278%0.779SS**SBendtrans-110.86.4178.9-80.4162.6000113.8
584L48.7Very low44.4Very low145 Ų145146.9 Ų146.976%0.75977%0.77SS**SBendtrans-117.917-176.5-91.3150.3000113.7
585F47.4Very low44.4Very low182 Ų182139.8 Ų139.880%0.79876%0.759SS**SBendtrans-129.120.7-174.3-118.2-84.8000115.5
586N42.6Very low44.5Very low155 Ų155142.5 Ų142.583%0.82976%0.76SS**SBendtrans-13836.7177.3-79.7-29.4000112.7
587N39.8Very low44.9Very low161 Ų161145.3 Ų145.386%0.86178%0.775SS**  trans-147.572.4171.9-96.6-41.1000109.4
588T43.5Very low44.7Very low220 Ų220148.9 Ų148.9100%1.3578%0.784SS**  trans-162.60155.8510000108.7

Retrieved 588 of 588 residues in 95.1 ms (Link to these results)