A0A060XAZ6_ONCMY Loading...

Homeobox B8a

Sequence-specific transcription factor which is part of a developmental regulatory system that provides cells with specific positional identities on the anterior-posterior axis.

AlphaFold DB (A0A4W5L1X0), UniProt , Accession A0A060XAZ6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110538095, Length 245 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
1M47.8Very low46.7Very low245 Ų245154.7 Ų154.7100%1.20783%0.826SS**  0118.30-84.474.714000109.1
2S40.1Very low46.5Very low114 Ų114157.8 Ų157.880%0.79783%0.827SS**  trans-86.2170.3175.4-171.90000110.9
3S44.9Very low45.9Very low91 Ų91162.2 Ų162.264%0.63683%0.828SS**  trans77.9101.7157.470.40000120.2
4Y51.7Low45.6Very low230 Ų230165.8 Ų165.890%0.90284%0.835SS**  trans-140.987.7130.8-58.7-73.9000109.9
5F47.7Very low45Very low194 Ų194162.8 Ų162.885%0.85184%0.836SS**  trans-92.2103.4157.8-122.8-89.1000105.9N7F5-N7 PolarHBondContact O-N 3.08Å
6V48.4Very low44.7Very low116 Ų116157.3 Ų157.370%0.70383%0.831SS**  trans-91.493.2170.4-179.10000107.5S8V6-S8 PolarHBondContact O-N 3.39Å
7N36.8Very low44.3Very low143 Ų143157.8 Ų157.877%0.76583%0.834SS**  trans-86.886.1169.8-122.87.9000108.2F5 L9F5-N7 PolarHBondContact O-N 3.08Å; N7-L9 VanDerWaalsContact C-N 3.3Å; N7-L9 PolarHBondContact O-N 3.37Å; N7-L9 VanDerWaalsContact O-N 3.17Å
8S49.3Very low44.1Very low110 Ų110154.3 Ų154.377%0.76983%0.825SS**THydrogen-bonded Turntrans-8847-173.4-124.30000113.8V6V6-S8 PolarHBondContact O-N 3.39Å
9L53.8Low44.3Very low159 Ų159153.9 Ų153.983%0.83282%0.822SS**THydrogen-bonded Turntrans-141.38.3176.1-96.9172.5000116.2N7N7-L9 VanDerWaalsContact C-N 3.3Å; N7-L9 PolarHBondContact O-N 3.37Å; N7-L9 VanDerWaalsContact O-N 3.17Å
10F47.3Very low44Very low181 Ų181158.1 Ų158.179%0.79483%0.826SS**  trans-147.984.9173-105.5-88000111.4
11S46.1Very low44.4Very low119 Ų119155.7 Ų155.783%0.83282%0.82SS**  trans-164.998.3156.6-89.50000107.7
12K44.7Very low43.8Very low192 Ų192151.3 Ų151.384%0.83580%0.802SS**  trans176.883.1132.2-70-145.2-165.9174.90108.6
13Y38.5Very low43.8Very low214 Ų214155.1 Ų155.184%0.83980%0.8SS**  trans-132.2107.4150.7-51.3-74.4000107.1
14K41.8Very low43.7Very low213 Ų213161.9 Ų161.993%0.92681%0.813SS**  trans-80120.2174.5-171.9174.5177173.30106.3
15S35.7Very low42.9Very low121 Ų121159.3 Ų159.385%0.84681%0.809SS**  trans-71136.8175.7-53.10000110.7
16G41.1Very low42.7Very low74 Ų74155.6 Ų155.676%0.76381%0.806SS**  trans123.184.6159.500000114.8
17D37.6Very low42.2Very low166 Ų166153.8 Ų153.889%0.88881%0.811SS**  -156.1153127.7-134.4-46.2000111.1
18S41.2Very low42.3Very low95 Ų95155.3 Ų155.366%0.66481%0.811SS**  trans-81.8147.2-159.4-88.40000115.8
19L48Very low41.8Very low147 Ų147154.8 Ų154.877%0.7781%0.813SS**  trans54.6101.7138.4-58.7171.3000120
20R38.3Very low41.4Very low237 Ų237154.8 Ų154.889%0.89481%0.809SS**  -147.3122.5128.6-88.4-60.7126.7143.7-1.5111.2
21P51.3Low41Very low108 Ų108153.9 Ų153.970%0.70181%0.812SS**  trans-89.2114.2167.630.7-23.8000109.7
22N35.5Very low41Very low154 Ų154155.7 Ų155.782%0.82481%0.812SS**  trans-164.8137.9164.6-113.4-88.6000105.4
23Y39.1Very low40.8Very low193 Ų193149.9 Ų149.976%0.75781%0.807SS**  cis-175.7138.8-9.6170.5-98.8000100.5E25Y23-E25 PolarHBondContact O-N 3.27Å
24Y44.2Very low40.8Very low234 Ų234145.6 Ų145.692%0.91881%0.808SS**  trans-55.5110.9173.5-100.3-101.2000108.7
25E34.4Very low41.1Very low175 Ų175145.6 Ų145.682%0.81880%0.802SS**  trans-126.1106.3166.3-156.4-178.1156.600109.5Y23Y23-E25 PolarHBondContact O-N 3.27Å
26C42.8Very low41.5Very low117 Ų117146 Ų14679%0.79180%0.802SS**  trans-77.6113.4174.6-171.50000108.5F28C26-F28 PolarHBondContact O-N 2.97Å
27G37.7Very low41.6Very low78 Ų78147.5 Ų147.580%0.80480%0.797SS**  trans-91.181.6171.800000111.7A29G27-A29 PolarHBondContact O-N 3.45Å
28F39.3Very low42.1Very low175 Ų175144.5 Ų144.577%0.76878%0.784SS**  trans-77.693.5164-160.1-86.5000107.7C26 Q30C26-F28 PolarHBondContact O-N 2.97Å; F28-Q30 HydrophobicContact CD1-CG 4.12Å; F28-Q30 HydrophobicContact CE1-CG 4.31Å; F28-Q30 PolarHBondContact O-N 3.18Å; F28-Q30 VanDerWaalsContact O-N 3.08Å
29A38.9Very low42.5Very low99 Ų99147 Ų14782%0.81880%0.795SS**  trans-74100.217500000109.6G27G27-A29 PolarHBondContact O-N 3.45Å
30Q45.5Very low42.6Very low159 Ų159150.8 Ų150.874%0.74380%0.8SS**  trans-73.9121.3153.2-69.8178.3-11.300107.1F28F28-Q30 HydrophobicContact CD1-CG 4.12Å; F28-Q30 HydrophobicContact CE1-CG 4.31Å; F28-Q30 PolarHBondContact O-N 3.18Å; F28-Q30 VanDerWaalsContact O-N 3.08Å
31D40.2Very low42.4Very low161 Ų161142.7 Ų142.786%0.86179%0.791SS**  trans-132.5134.8151.7-143.1-58000109.6
32L45.7Very low42.4Very low157 Ų157144 Ų14482%0.82280%0.799SS**  trans-96.9148-167.8-72.9161.2000108.4
33G40.7Very low42.5Very low71 Ų71140 Ų14073%0.73280%0.795SS**  trans108.486.314900000116.1
34S38.4Very low42.9Very low124 Ų124137.5 Ų137.587%0.86780%0.8SS**  trans-163.497.9132.9-90.10000109.9
35R48.2Very low42.9Very low212 Ų212130.3 Ų130.380%0.880%0.796SS**  trans-84.6153.3152.5-60.5-176.877.7-171.94.7107.2
36P44.3Very low43.3Very low129 Ų129126.6 Ų126.684%0.83880%0.796SS**  -125.5151.2118.331.3-23.9000113.4
37T43.3Very low43.2Very low106 Ų106127.2 Ų127.265%0.6580%0.796SS**  trans-73.2141.4-175.7-76.90000113
38V46.8Very low43.4Very low104 Ų104132.5 Ų132.563%0.6380%0.798SS**  trans-7.3134153.3-178.10000118.4Y40V38-Y40 HydrophobicContact CG1-CD2 4.16Å
39V50.1Low43.6Very low146 Ų146132.5 Ų132.589%0.88580%0.8SS**  trans-127.1122.6142.8165.20000108.4
40Y49.2Very low44.2Very low227 Ų227135.3 Ų135.389%0.8980%0.796SS**  trans-95.6143169-120.4-94.8000108.6V38V38-Y40 HydrophobicContact CG1-CD2 4.16Å
41G34.8Very low44.5Very low67 Ų67133.3 Ų133.369%0.69180%0.797SS**  trans-172.6142.9166.300000113.2
42P51.5Low45.3Very low135 Ų135130.3 Ų130.388%0.87779%0.786SS**  trans-115171.1-154.539.4-26000115.8
43G38.4Very low45Very low71 Ų71131.1 Ų131.173%0.73279%0.785SS**  trans93.2140.2168.100000112.9
44T47.5Very low44.9Very low141 Ų141136 Ų13687%0.86579%0.793SS**  cis-160.8154.618.340.60000107.6
45G43.9Very low44.9Very low82 Ų82137.8 Ų137.885%0.84579%0.788SS**  trans-56.1140.7-176.700000114.7
46A41.6Very low44.5Very low98 Ų98136.2 Ų136.281%0.8179%0.789SS**  trans-111.3109.9165.300000108.4
47T41.8Very low44.3Very low130 Ų130137.2 Ų137.280%0.79878%0.781SS**  trans-64.1123.1170.647.90000110Q49T47-Q49 PolarHBondContact O-N 3.4Å
48F40.9Very low44.3Very low189 Ų189141.8 Ų141.883%0.82979%0.788SS**  trans-77.8108.9170.5-128.8-99.2000108.6
49Q44.2Very low44.3Very low175 Ų175144 Ų14482%0.81879%0.791SS**PPolyproline II helixtrans-90.1125165.8-77.5-159.421.800109.5T47T47-Q49 PolarHBondContact O-N 3.4Å
50H50.8Low44Very low157 Ų157144.4 Ų144.473%0.72778%0.783SS**PPolyproline II helixtrans-85.4141.4163.4-73-93.2000109.7
51P53.1Low43.3Very low118 Ų118137.5 Ų137.577%0.76678%0.78SS**PPolyproline II helixtrans-81.3131.6159.728.8-26000110.4
52P56.5Low43.4Very low97 Ų97138.8 Ų138.863%0.6379%0.785SS**PPolyproline II helixtrans-77.1144.7152.732.5-24.3000106.3
53Q39.5Very low43Very low174 Ų174137.7 Ų137.781%0.81378%0.78SS**  177.213371.635.7-133.8-72.800108.5
54I38Very low43.1Very low175 Ų175141.3 Ų141.390%0.89779%0.788SS**  trans-113110.7163.2-49.8176.5000105.3
55Q38.1Very low42.7Very low161 Ų161143.4 Ų143.475%0.75279%0.793SS**  trans-79.1123.7176.7-175.1170-15.500108.6F57Q55-F57 HydrophobicContact CG-CD2 4.47Å
56E39.7Very low42.5Very low179 Ų179145.1 Ų145.184%0.83679%0.792SS**  trans-55.7133.2162.4-64.7-178.9148.100109.6
57F41.5Very low42.6Very low150 Ų150146.1 Ų146.166%0.65879%0.794SS**  trans-151.9100.9151.5-117.7-75.8000110.2Q55 H59Q55-F57 HydrophobicContact CG-CD2 4.47Å; F57-H59 AromaticContact CD1-CE1 3Å; F57-H59 WeakPolarHBondContact CD1-CE1 3.5Å; F57-H59 AromaticContact CD1-ND1 3.41Å; F57-H59 WeakPolarHBondContact CD1-ND1 3.37Å; F57-H59 AromaticContact CD1-NE2 3.85Å; F57-H59 AromaticContact CE1-CE1 3.27Å; F57-H59 WeakPolarHBondContact CE1-CE1 3.35Å; F57-H59 AromaticContact CE1-NE2 3.78Å; F57-H59 AromaticContact CG-CE1 3.97Å; F57-H59 PolarHBondContact O-N 3.26Å
58Y43.5Very low42.6Very low201 Ų201143.9 Ų143.979%0.78879%0.788SS**  trans-55.3125.1155-99.2-99.5000108.9
59H46.6Very low42.7Very low150 Ų150141.1 Ų141.169%0.69479%0.789SS**  trans-138116153.2-77.6103.5000109.8F57F57-H59 AromaticContact CD1-CE1 3Å; F57-H59 WeakPolarHBondContact CD1-CE1 3.5Å; F57-H59 AromaticContact CD1-ND1 3.41Å; F57-H59 WeakPolarHBondContact CD1-ND1 3.37Å; F57-H59 AromaticContact CD1-NE2 3.85Å; F57-H59 AromaticContact CE1-CE1 3.27Å; F57-H59 WeakPolarHBondContact CE1-CE1 3.35Å; F57-H59 AromaticContact CE1-NE2 3.78Å; F57-H59 AromaticContact CG-CE1 3.97Å; F57-H59 PolarHBondContact O-N 3.26Å
60H42.1Very low42.5Very low155 Ų155143.7 Ų143.772%0.71879%0.793SS**  trans-67.8146.4163.7-3.3-82.3000109.2
61G35.3Very low42.4Very low82 Ų82144.8 Ų144.885%0.84580%0.798SS**  trans160.2121.416600000114.5
62A36.6Very low42Very low95 Ų95148.3 Ų148.379%0.78581%0.805SS**  trans-78.9157.6-178.100000113.7
63S43.1Very low41.3Very low111 Ų111148.1 Ų148.178%0.77681%0.805SS**  trans47.7116.8146.5-52.60000120.2
64T41.9Very low41.6Very low147 Ų147146 Ų14690%0.90281%0.807SS**  -161.8125118.237.90000109.9S66T64-S66 PolarHBondContact O-N 3.4Å
65L39.2Very low42.3Very low186 Ų186143 Ų14397%0.97480%0.8SS**  trans-74.5115.3172.4-71.4154.2000108.4
66S38.5Very low42.7Very low117 Ų117139.5 Ų139.582%0.81880%0.799SS**  trans-101.5113.9166.8-172.80000108.6T64T64-S66 PolarHBondContact O-N 3.4Å
67S44.2Very low43.3Very low120 Ų120137.5 Ų137.584%0.83980%0.798SS**  trans-77.9116.6170.6740000109.1
68A41.2Very low43.8Very low82 Ų82135.4 Ų135.468%0.67880%0.798SS**  trans-111.4131.1162.500000108.2Y70A68-Y70 PolarHBondContact O-N 3.06Å
69P44.2Very low44.1Very low132 Ų132131.5 Ų131.586%0.85780%0.799SS**PPolyproline II helixtrans-68.5123.3178.127.3-31.8000109.8Q71P69-Q71 PolarHBondContact O-N 3.25Å
70Y39.8Very low44.1Very low228 Ų228133 Ų13389%0.89481%0.806SS**PPolyproline II helixtrans-63126.3178.6-137.6-103.2000110A68 Q72A68-Y70 PolarHBondContact O-N 3.06Å; Y70-Q72 PolarHBondContact O-N 3Å
71Q47Very low43.9Very low181 Ų181129.2 Ų129.285%0.84681%0.809SS**PPolyproline II helixtrans-60.7130.7167.2-119-147.469.300109.4P69 S73P69-Q71 PolarHBondContact O-N 3.25Å; Q71-S73 PolarHBondContact O-N 3.35Å
72Q44.8Very low44Very low192 Ų192134 Ų13490%0.89781%0.81SS**  trans-73111-176.3-132.1154.321.200110.1Y70Y70-Q72 PolarHBondContact O-N 3Å
73S42Very low44.6Very low92 Ų92135 Ų13564%0.64381%0.808SS**  trans-79.5137.2164.5-157.60000108.6Q71 C75Q71-S73 PolarHBondContact O-N 3.35Å; S73-C75 PolarHBondContact O-N 3.27Å
74P47.3Very low44.9Very low129 Ų129132.7 Ų132.784%0.83880%0.802SS**THydrogen-bonded Turntrans-78.125.3-162.631.9-35.9000115.3
75C51.6Low45Very low113 Ų113133.5 Ų133.576%0.76480%0.801SS**THydrogen-bonded Turntrans-130.515.2-172-57.20000115.1S73 V77S73-C75 PolarHBondContact O-N 3.27Å; C75-V77 PolarHBondContact O-N 3.05Å
76A46.6Very low45.5Very low87 Ų87133.3 Ų133.372%0.71979%0.792SS**  trans-89.399.8177.500000111.1T78A76-T78 PolarHBondContact O-N 3.05Å
77V52.2Low45.9Very low137 Ų137137.7 Ų137.783%0.8379%0.792SS**  trans-75.2109.7164.5169.90000108.1C75 C79C75-V77 PolarHBondContact O-N 3.05Å; V77-C79 PolarHBondContact O-N 3.5Å
78T52Low45.5Very low106 Ų106135.1 Ų135.165%0.6579%0.785SS**  trans-71.6112.7171.1-60.20000109.5A76 H80A76-T78 PolarHBondContact O-N 3.05Å; T78-H80 VanDerWaalsContact CG2-CD2 3.47Å; T78-H80 WeakPolarHBondContact CG2-CD2 3.36Å
79C50Low46Very low120 Ų120143.2 Ų143.281%0.81180%0.8SS**  trans-90.399.8166.249.40000109.4V77V77-C79 PolarHBondContact O-N 3.5Å
80H45.8Very low45.9Very low180 Ų180143.5 Ų143.583%0.83379%0.794SS**  trans-75.3118164.4-85.8-85.3000108.7T78T78-H80 VanDerWaalsContact CG2-CD2 3.47Å; T78-H80 WeakPolarHBondContact CG2-CD2 3.36Å
81G38.2Very low46.2Very low77 Ų77136.7 Ų136.779%0.79479%0.785SS**  trans-104119.3167.400000109.6
82E36.9Very low46.2Very low183 Ų183135.9 Ų135.986%0.85579%0.785SS**  trans-109.9140.7166.4-109.4-75.4114.700108.4
83P49.9Very low46.3Very low114 Ų114135.2 Ų135.274%0.7478%0.782SS**  trans-96.5104.3-16934.9-26000110.9
84G48.5Very low46.3Very low63 Ų63141.5 Ų141.565%0.64979%0.792SS**  trans176.385.2171.600000113.2
85N44.3Very low46Very low165 Ų165143.6 Ų143.688%0.88279%0.79SS**  trans-171.599.4145.6-94-8.2000109.2
86F49.6Very low45.7Very low182 Ų182144.1 Ų144.180%0.79879%0.79SS**SBendtrans-87.8-10.3-172.4170.7-117.5000114.3
87Y46.7Very low45.7Very low209 Ų209146.8 Ų146.882%0.8279%0.792SS**SBendtrans-148.5102.3166.7-90.3-85.5000110.1
88G37.2Very low45.1Very low66 Ų66149.4 Ų149.468%0.6879%0.792SS**  trans-152.3111.5175.400000109.5D90G88-D90 PolarHBondContact O-N 2.98Å
89Y51Low44.4Very low252 Ų252147.5 Ų147.599%0.98879%0.794SS**  trans-72.690.3173.9-139.7-94.6000107.5
90D41.4Very low44.9Very low138 Ų138147.2 Ų147.274%0.73879%0.79SS**  trans-100.9109177.5-148-76000109.6G88 L92G88-D90 PolarHBondContact O-N 2.98Å; D90-L92 PolarHBondContact O-N 3.34Å; D90-L92 VanDerWaalsContact O-N 3.16Å
91A47Very low44.5Very low85 Ų85146 Ų14670%0.70279%0.785SS**  trans-64113.4173.600000107.9Q93A91-Q93 PolarHBondContact O-N 2.88Å
92L46.1Very low44.4Very low164 Ų164148.9 Ų148.986%0.85978%0.782SS**  trans-33.8109.2171-74.4170.5000110.7D90 R94D90-L92 PolarHBondContact O-N 3.34Å; D90-L92 VanDerWaalsContact O-N 3.16Å; L92-R94 PolarHBondContact O-N 3.26Å
93Q47.8Very low45Very low177 Ų177144.4 Ų144.483%0.82778%0.777SS**  trans-60.987.3177.9-171.3151.4-0.600109.3A91 Q95A91-Q93 PolarHBondContact O-N 2.88Å; Q93-Q95 PolarHBondContact O-N 2.89Å; Q93-Q95 VanDerWaalsContact O-N 3.12Å
94R42.1Very low44.4Very low224 Ų224146.6 Ų146.685%0.84578%0.782SS**  trans-59.2112.9158.7-80.3179.5153.4-94.1-1.2105.7L92 T96L92-R94 PolarHBondContact O-N 3.26Å; R94-T96 PolarHBondContact O-N 3.48Å
95Q41.2Very low44.4Very low173 Ų173152 Ų15281%0.80880%0.795SS**  trans-51.2107.9170.9-74.6178-9.300109.2Q93 L97Q93-Q95 PolarHBondContact O-N 2.89Å; Q93-Q95 VanDerWaalsContact O-N 3.12Å; Q95-L97 PolarHBondContact O-N 3.09Å
96T46Very low44.5Very low124 Ų124150.2 Ų150.276%0.76179%0.79SS**  trans-79.5104.5167.5-49.10000106.4R94 F98R94-T96 PolarHBondContact O-N 3.48Å; T96-F98 PolarHBondContact O-N 2.86Å; T96-F98 VanDerWaalsContact O-N 3.12Å
97L44.9Very low44.2Very low143 Ų143149.3 Ų149.375%0.74979%0.788SS**SBendtrans-73.89.1-174.7-108.7139.9000114.7Q95Q95-L97 PolarHBondContact O-N 3.09Å
98F40.8Very low43.7Very low193 Ų193149.9 Ų149.985%0.84679%0.79SS**  trans-139.5102.7176.7-70.7-79.5000110.1T96T96-F98 PolarHBondContact O-N 2.86Å; T96-F98 VanDerWaalsContact O-N 3.12Å
99G37.1Very low43.9Very low66 Ų66153.4 Ų153.468%0.6879%0.794SS**  trans-112.3144157.500000108.6
100P60Low43.3Very low114 Ų114148.1 Ų148.174%0.7478%0.782SS**  trans-80.1134177.833.9-29.7000108.5
101Q38.7Very low43.6Very low155 Ų155147.3 Ų147.372%0.72479%0.786SS**  168.4131.2128.6-80.9-33.323.800111.3
102D35.3Very low43.4Very low137 Ų137151.8 Ų151.873%0.73379%0.79SS**  trans70.9105.8144.5-62.3-47.9000119.9
103A49.8Very low43.3Very low89 Ų89152.4 Ų152.474%0.73679%0.793SS**  4384.5125.900000117.2
104D37Very low42.8Very low159 Ų159148.2 Ų148.285%0.8579%0.789SS**  -154.8118.4129.3-97.7-35000110.2V106D104-V106 PolarHBondContact O-N 3.39Å
105L47.8Very low42.8Very low177 Ų177142.3 Ų142.393%0.92779%0.788SS**  trans-72.881.4-172.6-171.876.1000110.2Q107L105-Q107 PolarHBondContact O-N 2.68Å
106V46.3Very low42.6Very low128 Ų128138.1 Ų138.178%0.77679%0.791SS**  trans-78.6102.4165.6-175.90000108.4D104 Y108D104-V106 PolarHBondContact O-N 3.39Å; V106-Y108 PolarHBondContact O-N 3.13Å
107Q44.9Very low42.1Very low163 Ų163135.8 Ų135.876%0.76279%0.792SS**  trans-44.390.3177.5-169.6172.9-17.600113.3L105 N109L105-Q107 PolarHBondContact O-N 2.68Å; Q107-N109 PolarHBondContact O-N 3.5Å
108Y34.4Very low41.9Very low220 Ų220137.7 Ų137.786%0.86380%0.801SS**  trans-68.2118.5158-98.3-94.2000107.4V106 D110V106-Y108 PolarHBondContact O-N 3.13Å; Y108-D110 VanDerWaalsContact C-N 3.33Å; Y108-D110 PolarHBondContact O-N 3.43Å
109N42.7Very low41.8Very low141 Ų141131.9 Ų131.975%0.75480%0.795SS**  trans-65.198170.2-90.8-34.2000108.7Q107 C111Q107-N109 PolarHBondContact O-N 3.5Å; N109-C111 PolarHBondContact O-N 3.04Å
110D38.9Very low41.8Very low140 Ų140136.6 Ų136.675%0.74981%0.805SS**  trans-60.1128.5171.9-160.7-65.3000109.2Y108 K112Y108-D110 VanDerWaalsContact C-N 3.33Å; Y108-D110 PolarHBondContact O-N 3.43Å; D110-K112 PolarHBondContact O-N 3.37Å
111C47.5Very low41.2Very low122 Ų122139.5 Ų139.582%0.82481%0.809SS**  trans-71.577.2173.4-70.70000109N109 L113N109-C111 PolarHBondContact O-N 3.04Å; C111-L113 PolarHBondContact O-N 3.04Å; C111-L113 VanDerWaalsContact O-N 3.11Å
112K41.6Very low41.5Very low178 Ų178138.6 Ų138.677%0.77481%0.814SS**  trans-74.198.9176.7-166.1173.9-175.5175.20109.8D110 A114D110-K112 PolarHBondContact O-N 3.37Å; K112-A114 PolarHBondContact O-N 3.05Å
113L43.8Very low41.5Very low178 Ų178141.5 Ų141.593%0.93282%0.823SS**  trans-62.999157.5-72.4168.4000107.9C111C111-L113 PolarHBondContact O-N 3.04Å; C111-L113 VanDerWaalsContact O-N 3.11Å
114A36.9Very low41Very low88 Ų88142.4 Ų142.473%0.72782%0.824SS**  trans-94.1107.2171.600000109.4K112K112-A114 PolarHBondContact O-N 3.05Å
115A42.5Very low41.5Very low101 Ų101140.3 Ų140.384%0.83582%0.817SS**  trans-87.4124.1158.400000108.9
116G38.3Very low41.1Very low84 Ų84141.4 Ų141.487%0.86682%0.818SS**  trans84.9115.3152.600000118.1
117G34.9Very low41Very low76 Ų76143.9 Ų143.978%0.78482%0.821SS**  trans158.673.9160.800000116
118I39.8Very low40.7Very low183 Ų183141.3 Ų141.394%0.93882%0.821SS**  trans18.7123147.2-53.1176.8000117.9
119G38.9Very low41.5Very low71 Ų71136.3 Ų136.373%0.73282%0.815SS**  trans149.1111.814700000116
120D36.9Very low42Very low165 Ų165134.1 Ų134.188%0.88281%0.811SS**  trans90129.5152.5-139.7-121.8000119.5
121E47.9Very low43Very low174 Ų174132.5 Ų132.581%0.81381%0.808SS**  trans-81.6130.9-170.1-53.2-133.2103.900110.7
122T45Very low43.8Very low137 Ų137131.7 Ų131.784%0.8480%0.8SS**  trans-170.6122141.510.80000112.2
123E35.1Very low45.3Very low197 Ų197131 Ų13192%0.92180%0.799SS**  trans64.6116149.8-148.5159.989.500120.2
124S40Very low47.3Very low108 Ų108125.3 Ų125.376%0.75577%0.769SS**  trans-87.2140.3-175.3-59.40000113
125T46.3Very low49.6Very low116 Ų116127.2 Ų127.271%0.71276%0.761SS**  trans83.288.7145.8-39.70000118.4
126E40.8Very low51.7Low199 Ų199127.5 Ų127.593%0.9376%0.755SS**  -134.1113.7129.4-72.9-147.4125.200109.7S128E126-S128 PolarHBondContact O-N 3.42Å
127Q43.2Very low54Low181 Ų181133 Ų13385%0.84675%0.749SS**  trans-65.5107.9-177.1-81.5167.8-700111.1
128S39.9Very low56.5Low109 Ų109133.6 Ų133.676%0.76273%0.733SS**  trans-72.6119.9161.1-177.90000109E126 S130E126-S128 PolarHBondContact O-N 3.42Å; S128-S130 PolarHBondContact O-N 3.07Å; S128-S130 VanDerWaalsContact O-N 3.14Å
129P51.4Low58.6Low115 Ų115131.8 Ų131.875%0.74771%0.714SS**  trans-71.4114.1173.829.5-29.9000107.3
130S52Low60.3Low95 Ų95133.1 Ų133.166%0.66471%0.71SS**  trans-48.4127.3171.265.30000109.2S128 T132S128-S130 PolarHBondContact O-N 3.07Å; S128-S130 VanDerWaalsContact O-N 3.14Å; S130-T132 PolarHBondContact O-N 3.03Å
131P60.1Low62Low106 Ų106132.6 Ų132.669%0.68870%0.703SS**  trans-69.3102.317627.8-30.8000106.7Q133P131-Q133 PolarHBondContact O-N 2.79Å
132T64.6Low62.9Low105 Ų105127.6 Ų127.664%0.64469%0.687SS**  trans-51113.9167.3-45.90000106.4S130 L134S130-T132 PolarHBondContact O-N 3.03Å; T132-L134 HydrophobicContact CG2-CD2 4.38Å; T132-L134 HydrophobicContact CG2-CG 4.05Å; T132-L134 PolarHBondContact O-N 3.36Å
133Q73.3Confident63.6Low162 Ų162126.1 Ų126.176%0.75769%0.689SS**  trans-67.970.8-178.8-70.3-77.4-3.800109P131 F135P131-Q133 PolarHBondContact O-N 2.79Å; Q133-F135 PolarHBondContact O-N 3.26Å
134L84.6Confident64.8Low59 Ų59120.3 Ų120.331%0.30968%0.682SS.*  trans-78.2121.2176-71.4163.4000107.6T132 M138 R139T132-L134 HydrophobicContact CG2-CD2 4.38Å; T132-L134 HydrophobicContact CG2-CG 4.05Å; T132-L134 PolarHBondContact O-N 3.36Å; L134-M138 HydrophobicContact CB-CB 4.4Å; L134-M138 HydrophobicContact CD2-CB 4.02Å; L134-M138 HydrophobicContact CD2-CE 4.18Å; L134-R139 HydrophobicContact CB-CG 4.02Å; L134-R139 PolarHBondContact O-NE 3.33Å; L134-R139 PolarHBondContact O-NH2 3.01Å; L134-R139 VanDerWaalsContact O-NH2 3.11Å
135F86.3Confident65.8Low128 Ų128125.4 Ų125.456%0.56168%0.684SS**  trans-54.8145.8170.5-66-72.6000109.8Q133 W137 M138 R139Q133-F135 PolarHBondContact O-N 3.26Å; F135-W137 HydrophobicContact CB-CD2 4.39Å; F135-W137 HydrophobicContact CB-CG 4.33Å; F135-W137 HydrophobicContact CB-CZ2 4.24Å; F135-W137 HydrophobicContact CD2-CZ2 4Å; F135-W137 HydrophobicContact CG-CZ2 4.4Å; F135-W137 AromaticContact CG-NE1 3.76Å; F135-W137 PolarHBondContact O-N 3.22Å; F135-M138 HydrophobicContact CB-CG 4.27Å; F135-M138 HydrophobicContact CB-SD 4.31Å; F135-M138 HydrophobicContact CD2-SD 3.73Å; F135-M138 WeakPolarHBondContact O-CA 3.41Å; F135-M138 WeakPolarHBondContact O-CB 3.36Å; F135-M138 PolarHBondContact O-N 3.09Å; F135-R139 PolarHBondContact O-N 2.66Å
136P85.4Confident66.6Low108 Ų108130.6 Ų130.670%0.70169%0.691SS**THydrogen-bonded Turntrans-51.3-29.4-175.6-31.136.5000115.5
137W87.2Confident68.3Low198 Ų198132.9 Ų132.975%0.7569%0.691SS**THydrogen-bonded Turntrans-80-21.8176.559-95.4000114.4F135F135-W137 HydrophobicContact CB-CD2 4.39Å; F135-W137 HydrophobicContact CB-CG 4.33Å; F135-W137 HydrophobicContact CB-CZ2 4.24Å; F135-W137 HydrophobicContact CD2-CZ2 4Å; F135-W137 HydrophobicContact CG-CZ2 4.4Å; F135-W137 AromaticContact CG-NE1 3.76Å; F135-W137 PolarHBondContact O-N 3.22Å
138M86.7Confident70.2Confident89 Ų89127.6 Ų127.644%0.43869%0.685SS.*THydrogen-bonded Turntrans-83.7-15.8175.3-66.2-178.874.900112.5L134 F135L134-M138 HydrophobicContact CB-CB 4.4Å; L134-M138 HydrophobicContact CD2-CB 4.02Å; L134-M138 HydrophobicContact CD2-CE 4.18Å; F135-M138 HydrophobicContact CB-CG 4.27Å; F135-M138 HydrophobicContact CB-SD 4.31Å; F135-M138 HydrophobicContact CD2-SD 3.73Å; F135-M138 WeakPolarHBondContact O-CA 3.41Å; F135-M138 WeakPolarHBondContact O-CB 3.36Å; F135-M138 PolarHBondContact O-N 3.09Å
139R85.3Confident72.5Confident145 Ų145132.8 Ų132.855%0.54769%0.688SS.*SBendtrans-64.9126.5-179-67.1-179.5-174.2-125.5-2.8108.7L134 F135 Q141L134-R139 HydrophobicContact CB-CG 4.02Å; L134-R139 PolarHBondContact O-NE 3.33Å; L134-R139 PolarHBondContact O-NH2 3.01Å; L134-R139 VanDerWaalsContact O-NH2 3.11Å; F135-R139 PolarHBondContact O-N 2.66Å; R139-Q141 PolarHBondContact O-N 3.47Å
140P75.3Confident74.5Confident100 Ų100134.1 Ų134.165%0.64969%0.685SS**  trans-59.3108.4173.73.3-1000107.9S142P140-S142 VanDerWaalsContact C-N 3.31Å; P140-S142 PolarHBondContact O-N 3.17Å
141Q71.8Confident76.6Confident154 Ų154134.3 Ų134.372%0.7268%0.682SS**SBendtrans-60.597.4173.9-172.672.6-84.800107R139R139-Q141 PolarHBondContact O-N 3.47Å
142S66.6Low78.5Confident68 Ų68132.2 Ų132.248%0.47666%0.661SS.*  trans21.5100.7-174.152.20000114.6P140 G144 R145P140-S142 VanDerWaalsContact C-N 3.31Å; P140-S142 PolarHBondContact O-N 3.17Å; S142-G144 PolarHBondContact O-N 3.08Å; S142-R145 PolarHBondContact O-N 3Å; S142-R145 VanDerWaalsContact O-N 3.15Å
143A60.5Low80.1Confident107 Ų107130 Ų13088%0.88465%0.649SS**THydrogen-bonded Turntrans-55.310.6-173.400000117.5
144G59.1Low81.3Confident75 Ų75132.1 Ų132.177%0.77365%0.65SS**THydrogen-bonded Turntrans-128.41.1177.600000116.1S142S142-G144 PolarHBondContact O-N 3.08Å
145R62Low81.9Confident214 Ų214135.6 Ų135.681%0.80866%0.66SS**  trans-118.121.3-174.7-62.2-161.4-169-78.93.2115.5S142 R147S142-R145 PolarHBondContact O-N 3Å; S142-R145 VanDerWaalsContact O-N 3.15Å; R145-R147 VanDerWaalsContact C-N 3.27Å; R145-R147 PolarHBondContact O-N 2.94Å
146R63.5Low82.5Confident225 Ų225131.1 Ų131.185%0.84964%0.641SS**  trans-78.785.2164.3-68.3-159.5175.5-157.90.8108.9G148R146-G148 PolarHBondContact O-N 3.35Å; R146-G148 VanDerWaalsContact O-N 3.08Å
147R75.5Confident83.2Confident247 Ų247128 Ų12893%0.93262%0.62SS**  trans-56117.2168.7-126.4156.5-177.3155-1.3107.2R145 R149R145-R147 VanDerWaalsContact C-N 3.27Å; R145-R147 PolarHBondContact O-N 2.94Å; R147-R149 PolarHBondContact O-N 3.43Å
148G82.1Confident83.7Confident71 Ų71122.7 Ų122.773%0.73261%0.606SS**  trans-50.6138.8-179.400000110.5R146 Q150R146-G148 PolarHBondContact O-N 3.35Å; R146-G148 VanDerWaalsContact O-N 3.08Å; G148-Q150 PolarHBondContact O-N 3.16Å
149R89.9Confident84.3Confident217 Ų217120.9 Ų120.982%0.81960%0.596SS**  trans-73.2112.2179.8-169.3175.8-172.1-88.42.1108.4R147R147-R149 PolarHBondContact O-N 3.43Å
150Q93.8Very high84.9Confident144 Ų144114 Ų11467%0.67357%0.57SS**PPolyproline II helixtrans-69132170.7-174.456.750.100109.9G148G148-Q150 PolarHBondContact O-N 3.16Å
151T96.2Very high86Confident98 Ų98113 Ų11360%0.60156%0.557SS**PPolyproline II helixtrans-87.3145170.253.60000109.9
152Y98.3Very high87.3Confident63 Ų63111.1 Ų111.125%0.24755%0.546CS..PPolyproline II helixtrans-78.6147.6173.2-59.8-28.7000110L160 L184 Q188 W192Y152-L160 HydrophobicContact CD2-CD1 4.19Å; Y152-L160 HydrophobicContact CE2-CD1 4.43Å; Y152-L184 HydrophobicContact CD1-CD2 4.03Å; Y152-L184 HydrophobicContact CE1-CD1 4.41Å; Y152-L184 HydrophobicContact CE1-CD2 3.86Å; Y152-Q188 WeakPolarHBondContact OH-CB 3.17Å; Y152-W192 AromaticContact CD2-CD1 3.8Å; Y152-W192 HydrophobicContact CE2-CB 4.32Å; Y152-W192 AromaticContact CE2-CD1 3.53Å; Y152-W192 HydrophobicContact CE2-CG 4.21Å
153S98.6Very high88.8Confident58 Ų58108.7 Ų108.741%0.40653%0.528SS..PPolyproline II helixtrans-66.2164.9174.679.20000111Y155 Q156 T157S153-Y155 VanDerWaalsContact C-N 3.32Å; S153-Y155 PolarHBondContact O-N 2.95Å; S153-Q156 PolarHBondContact O-N 3.14Å; S153-Q156 WeakPolarHBondContact OG-CG 3.36Å; S153-Q156 PolarHBondContact OG-N 3Å; S153-T157 PolarHBondContact O-N 2.98Å; S153-T157 PolarHBondContact O-OG1 3.23Å
154R98.4Very high90.6Very high207 Ų207104 Ų10478%0.78149%0.487SS*.Hα-helixtrans-58.5-45.9175.3-173.1172.3-177.3-121.30.2111.4Q156 T157 L158R154-Q156 PolarHBondContact O-N 3.48Å; R154-T157 PolarHBondContact O-N 3.48Å; R154-L158 HydrophobicContact CG-CD1 4.11Å; R154-L158 WeakPolarHBondContact O-CG 3.34Å; R154-L158 PolarHBondContact O-N 2.83Å
155Y98.5Very high92.4Very high132 Ų132107.3 Ų107.352%0.51849%0.486SS..Hα-helixtrans-58.2-48.6177.1172.6-105.5000112.3S153 T157 L158 E159 L182S153-Y155 VanDerWaalsContact C-N 3.32Å; S153-Y155 PolarHBondContact O-N 2.95Å; Y155-T157 VanDerWaalsContact C-N 3.29Å; Y155-T157 PolarHBondContact O-N 3.38Å; Y155-L158 PolarHBondContact O-N 2.92Å; Y155-E159 HydrophobicContact CD2-CG 4.28Å; Y155-E159 HydrophobicContact CE1-CG 4.41Å; Y155-E159 HydrophobicContact CE2-CG 3.73Å; Y155-E159 PolarHBondContact O-N 3.34Å; Y155-L182 HydrophobicContact CD1-CD2 4.29Å; Y155-L182 HydrophobicContact CE1-CD2 3.72Å
156Q98.6Very high94.1Very high34 Ų34105.2 Ų105.216%0.15948%0.483CS..Hα-helixtrans-58.3-43.3177.8-73.1173.6-29.800111.9S153 R154 L160 L182S153-Q156 PolarHBondContact O-N 3.14Å; S153-Q156 WeakPolarHBondContact OG-CG 3.36Å; S153-Q156 PolarHBondContact OG-N 3Å; R154-Q156 PolarHBondContact O-N 3.48Å; Q156-L160 WeakPolarHBondContact O-CB 3.45Å; Q156-L160 WeakPolarHBondContact O-CD1 3.23Å; Q156-L160 WeakPolarHBondContact O-CG 3.24Å; Q156-L160 PolarHBondContact O-N 3.41Å; Q156-L160 VanDerWaalsContact O-N 3.09Å; Q156-L182 HydrophobicContact CG-CB 4.33Å; Q156-L182 PolarHBondContact NE2-O 3.13Å
157T98.5Very high95.7Very high43 Ų4397.7 Ų97.726%0.26446%0.46SS..Hα-helixtrans-64.8-44.3179.6-54.20000111.5S153 R154 Y155 L160 E161S153-T157 PolarHBondContact O-N 2.98Å; S153-T157 PolarHBondContact O-OG1 3.23Å; R154-T157 PolarHBondContact O-N 3.48Å; Y155-T157 VanDerWaalsContact C-N 3.29Å; Y155-T157 PolarHBondContact O-N 3.38Å; T157-L160 PolarHBondContact O-N 3.12Å; T157-E161 WeakPolarHBondContact O-CG 3.41Å; T157-E161 PolarHBondContact O-N 2.96Å
158L98.5Very high96.7Very high86 Ų8688.1 Ų88.145%0.4543%0.43SS..Hα-helixtrans-63.4-45.2-179.9-71.2172.5000112.4R154 Y155 L160 E161 K162R154-L158 HydrophobicContact CG-CD1 4.11Å; R154-L158 WeakPolarHBondContact O-CG 3.34Å; R154-L158 PolarHBondContact O-N 2.83Å; Y155-L158 PolarHBondContact O-N 2.92Å; L158-L160 VanDerWaalsContact C-N 3.35Å; L158-L160 PolarHBondContact O-N 3.3Å; L158-E161 PolarHBondContact O-N 2.79Å; L158-K162 WeakPolarHBondContact O-CB 3.42Å; L158-K162 PolarHBondContact O-N 3.03Å
159E98.6Very high97.5Very high50 Ų5091.5 Ų91.523%0.23442%0.422CS..Hα-helixtrans-66.4-37.5177.7-73-59.7124.100111.8Y155 E161 K162 E163 L182Y155-E159 HydrophobicContact CD2-CG 4.28Å; Y155-E159 HydrophobicContact CE1-CG 4.41Å; Y155-E159 HydrophobicContact CE2-CG 3.73Å; Y155-E159 PolarHBondContact O-N 3.34Å; E159-E161 VanDerWaalsContact C-N 3.34Å; E159-E161 PolarHBondContact O-N 3.5Å; E159-K162 PolarHBondContact O-N 3.01Å; E159-K162 IonicContact OE1-NZ 3.75Å; E159-K162 PolarHBondContact OE1-NZ 3.09Å; E159-K162 IonicContact OE2-NZ 2.79Å; E159-K162 PolarHBondContact OE2-NZ 3.28Å; E159-E163 VanDerWaalsContact O-CG 3.32Å; E159-E163 WeakPolarHBondContact O-CG 3.39Å; E159-E163 PolarHBondContact O-N 3.08Å; E159-L182 HydrophobicContact CB-CD1 4.16Å; E159-L182 HydrophobicContact CB-CD2 3.63Å; E159-L182 HydrophobicContact CB-CG 4.46Å; E159-L182 HydrophobicContact CG-CD2 3.96Å
160L98.7Very high97.9Very high0 Ų083 Ų830%039%0.392CS..Hα-helixtrans-63.4-39.6173.5-72.4166.9000112.2Y152 Q156 T157 L158 F164 V178 L182 L184 V189 W192 F193Y152-L160 HydrophobicContact CD2-CD1 4.19Å; Y152-L160 HydrophobicContact CE2-CD1 4.43Å; Q156-L160 WeakPolarHBondContact O-CB 3.45Å; Q156-L160 WeakPolarHBondContact O-CD1 3.23Å; Q156-L160 WeakPolarHBondContact O-CG 3.24Å; Q156-L160 PolarHBondContact O-N 3.41Å; Q156-L160 VanDerWaalsContact O-N 3.09Å; T157-L160 PolarHBondContact O-N 3.12Å; L158-L160 VanDerWaalsContact C-N 3.35Å; L158-L160 PolarHBondContact O-N 3.3Å; L160-F164 WeakPolarHBondContact O-CB 3.21Å; L160-F164 PolarHBondContact O-N 3.44Å; L160-V178 HydrophobicContact CD2-CG1 4.12Å; L160-L182 HydrophobicContact CD1-CD1 4.44Å; L160-L182 HydrophobicContact CD2-CD1 3.88Å; L160-L182 HydrophobicContact CG-CD1 3.7Å; L160-L184 HydrophobicContact CD1-CD1 4.17Å; L160-V189 HydrophobicContact CD2-CG1 4.23Å; L160-W192 VanDerWaalsContact C-CH2 3.44Å; L160-W192 HydrophobicContact CB-CD2 3.87Å; L160-W192 HydrophobicContact CB-CE3 3.82Å; L160-W192 HydrophobicContact CB-CH2 3.61Å; L160-W192 HydrophobicContact CB-CZ2 3.62Å; L160-W192 HydrophobicContact CB-CZ3 3.71Å; L160-W192 HydrophobicContact CD1-CB 4.47Å; L160-W192 HydrophobicContact CD1-CD2 3.8Å; L160-W192 HydrophobicContact CD1-CE3 4.43Å; L160-W192 HydrophobicContact CD1-CG 3.8Å; L160-W192 HydrophobicContact CD2-CD2 4.32Å; L160-W192 HydrophobicContact CD2-CE3 4.18Å; L160-W192 HydrophobicContact CG-CD2 4.22Å; L160-W192 HydrophobicContact CG-CE3 4.37Å; L160-W192 WeakPolarHBondContact O-CH2 3.42Å; L160-W192 WeakPolarHBondContact O-CZ3 3.27Å; L160-F193 HydrophobicContact CD2-CE2 4.04Å
161E98.6Very high98.1Very high80 Ų8080.3 Ų80.337%0.37439%0.386SS..Hα-helixtrans-66.7-44.1175.7-75.1-177.3175.700112.2T157 L158 E159 E163 F164 L165 W192T157-E161 WeakPolarHBondContact O-CG 3.41Å; T157-E161 PolarHBondContact O-N 2.96Å; L158-E161 PolarHBondContact O-N 2.79Å; E159-E161 VanDerWaalsContact C-N 3.34Å; E159-E161 PolarHBondContact O-N 3.5Å; E161-E163 PolarHBondContact O-N 2.9Å; E161-F164 WeakPolarHBondContact O-CB 3Å; E161-F164 PolarHBondContact O-N 3.48Å; E161-F164 VanDerWaalsContact O-N 3.16Å; E161-L165 WeakPolarHBondContact O-CG 3.39Å; E161-L165 PolarHBondContact O-N 3.38Å; E161-W192 HydrophobicContact CG-CH2 3.92Å; E161-W192 HydrophobicContact CG-CZ2 3.95Å
162K98.4Very high98.2Very high114 Ų11481.8 Ų81.850%0.49638%0.381SS..Hα-helixtrans-56.6-48.3174173.3-175.8160.8-159.20111.7L158 E159 F164 L165 F166L158-K162 WeakPolarHBondContact O-CB 3.42Å; L158-K162 PolarHBondContact O-N 3.03Å; E159-K162 PolarHBondContact O-N 3.01Å; E159-K162 IonicContact OE1-NZ 3.75Å; E159-K162 PolarHBondContact OE1-NZ 3.09Å; E159-K162 IonicContact OE2-NZ 2.79Å; E159-K162 PolarHBondContact OE2-NZ 3.28Å; K162-F164 VanDerWaalsContact C-N 3.31Å; K162-F164 PolarHBondContact O-N 3.15Å; K162-L165 PolarHBondContact O-N 3.41Å; K162-F166 PolarHBondContact O-N 3.26Å; K162-F166 VanDerWaalsContact O-N 3.14Å
163E98.4Very high98.3Very high17 Ų1785.8 Ų85.88%0.07940%0.399CS..Hα-helixtrans-63.4-36.5176.2-70.7-63.9134.300112.4E159 E161 F166 N167 R174 V178 F193E159-E163 VanDerWaalsContact O-CG 3.32Å; E159-E163 WeakPolarHBondContact O-CG 3.39Å; E159-E163 PolarHBondContact O-N 3.08Å; E161-E163 PolarHBondContact O-N 2.9Å; E163-F166 PolarHBondContact O-N 2.87Å; E163-N167 PolarHBondContact O-N 3.29Å; E163-R174 IonicContact OE1-CZ 3.32Å; E163-R174 IonicContact OE1-NE 2.79Å; E163-R174 IonicContact OE1-NH2 3.93Å; E163-R174 PolarHBondContact OE1-NH2 2.66Å; E163-R174 IonicContact OE2-CZ 3.11Å; E163-R174 VanDerWaalsContact OE2-CZ 3.32Å; E163-R174 IonicContact OE2-NE 2.87Å; E163-R174 PolarHBondContact OE2-NE 2.75Å; E163-R174 IonicContact OE2-NH2 3.29Å; E163-R174 PolarHBondContact OE2-NH2 2.82Å; E163-V178 HydrophobicContact CG-CG2 3.89Å; E163-F193 HydrophobicContact CB-CZ 3.97Å
164F98.4Very high98.2Very high8 Ų887.2 Ų87.24%0.03540%0.395CS..Hα-helixtrans-66.2-38.7177.6-177.1-95.8000112.9L160 E161 K162 F166 N167 P168 W192 F193 R196 R197 W200L160-F164 WeakPolarHBondContact O-CB 3.21Å; L160-F164 PolarHBondContact O-N 3.44Å; E161-F164 WeakPolarHBondContact O-CB 3Å; E161-F164 PolarHBondContact O-N 3.48Å; E161-F164 VanDerWaalsContact O-N 3.16Å; K162-F164 VanDerWaalsContact C-N 3.31Å; K162-F164 PolarHBondContact O-N 3.15Å; F164-F166 VanDerWaalsContact C-N 3.31Å; F164-N167 CarbonylContact O-C 3.24Å; F164-N167 VanDerWaalsContact O-C 3.24Å; F164-P168 HydrophobicContact CD2-CB 4.3Å; F164-P168 HydrophobicContact CE2-CB 3.73Å; F164-P168 HydrophobicContact CZ-CB 3.93Å; F164-W192 HydrophobicContact CB-CH2 4.36Å; F164-W192 HydrophobicContact CB-CZ3 4.1Å; F164-F193 HydrophobicContact CB-CE1 4.17Å; F164-F193 HydrophobicContact CB-CZ 4.3Å; F164-F193 AromaticContact CD2-CD1 3.98Å; F164-F193 HydrophobicContact CD2-CD1 3.98Å; F164-F193 AromaticContact CD2-CE1 3.93Å; F164-F193 HydrophobicContact CD2-CE1 3.93Å; F164-R196 HydrophobicContact CB-CG 4.45Å; F164-R196 HydrophobicContact CD1-CG 3.8Å; F164-R196 HydrophobicContact CD2-CB 4.15Å; F164-R196 HydrophobicContact CD2-CG 3.55Å; F164-R196 HydrophobicContact CE1-CG 3.87Å; F164-R196 HydrophobicContact CE2-CB 4.15Å; F164-R196 HydrophobicContact CE2-CG 3.63Å; F164-R196 HydrophobicContact CG-CG 3.65Å; F164-R196 HydrophobicContact CZ-CG 3.79Å; F164-R197 HydrophobicContact CE2-CG 3.76Å; F164-R197 HydrophobicContact CZ-CG 4.3Å; F164-W200 HydrophobicContact CE1-CB 4.37Å; F164-W200 HydrophobicContact CE1-CG 4.37Å; F164-W200 HydrophobicContact CZ-CB 4.07Å; F164-W200 HydrophobicContact CZ-CG 4.24Å
165L97.3Very high98.3Very high145 Ų14579.6 Ų79.676%0.75937%0.367SS*.Hα-helixtrans-67.1-33.9174.8-68.4173.9000111.8E161 K162E161-L165 WeakPolarHBondContact O-CG 3.39Å; E161-L165 PolarHBondContact O-N 3.38Å; K162-L165 PolarHBondContact O-N 3.41Å
166F97.9Very high98.3Very high170 Ų17076 Ų7675%0.74636%0.356SS*.Hα-helixtrans-68.2-49173.7-179.5-102.4000111.9K162 E163 F164K162-F166 PolarHBondContact O-N 3.26Å; K162-F166 VanDerWaalsContact O-N 3.14Å; E163-F166 PolarHBondContact O-N 2.87Å; F164-F166 VanDerWaalsContact C-N 3.31Å
167N96.6Very high98.3Very high68 Ų6877.9 Ų77.936%0.36437%0.365SS..  trans-151.3119.2173.8-171.6-15000111.3E163 F164 Y169E163-N167 PolarHBondContact O-N 3.29Å; F164-N167 CarbonylContact O-C 3.24Å; F164-N167 VanDerWaalsContact O-C 3.24Å; N167-Y169 PolarHBondContact ND2-O 3.37Å; N167-Y169 VanDerWaalsContact ND2-O 3.12Å; N167-Y169 PolarHBondContact O-N 2.67Å; N167-Y169 PolarHBondContact OD1-N 3.49Å; N167-Y169 PolarHBondContact OD1-O 3.46Å; N167-Y169 VanDerWaalsContact OD1-O 3.04Å
168P97.5Very high98.3Very high46 Ų4676.2 Ų76.230%0.29935%0.354SS..SBendtrans-64-11.1178.6-23.534.2000114.9F164 R197F164-P168 HydrophobicContact CD2-CB 4.3Å; F164-P168 HydrophobicContact CE2-CB 3.73Å; F164-P168 HydrophobicContact CZ-CB 3.93Å; P168-R197 WeakPolarHBondContact O-CD 3.37Å
169Y98.3Very high98.3Very high141 Ų14172.5 Ų72.555%0.55334%0.336SS*.SBendtrans-128.6122.5-179.5-62-103.5000110.4N167N167-Y169 PolarHBondContact ND2-O 3.37Å; N167-Y169 VanDerWaalsContact ND2-O 3.12Å; N167-Y169 PolarHBondContact O-N 2.67Å; N167-Y169 PolarHBondContact OD1-N 3.49Å; N167-Y169 PolarHBondContact OD1-O 3.46Å; N167-Y169 VanDerWaalsContact OD1-O 3.04Å
170L98.2Very high98.3Very high39 Ų3976.9 Ų76.920%0.20436%0.356CS..  trans-89.7140.6178-63.1-177.2000112.7R174 R175 V189 F193L170-R174 HydrophobicContact CD2-CB 4.48Å; L170-R174 HydrophobicContact CD2-CG 3.88Å; L170-R175 HydrophobicContact CB-CB 4.46Å; L170-R175 HydrophobicContact CD1-CB 4.38Å; L170-V189 HydrophobicContact CD1-CG1 3.67Å; L170-F193 HydrophobicContact CD1-CD1 4.23Å; L170-F193 HydrophobicContact CD1-CD2 3.68Å; L170-F193 HydrophobicContact CD1-CE1 3.99Å; L170-F193 HydrophobicContact CD1-CE2 3.42Å; L170-F193 VanDerWaalsContact CD1-CE2 3.42Å; L170-F193 HydrophobicContact CD1-CG 4.09Å; L170-F193 HydrophobicContact CD1-CZ 3.59Å; L170-F193 HydrophobicContact CD2-CE1 3.77Å; L170-F193 HydrophobicContact CD2-CE2 4.42Å; L170-F193 HydrophobicContact CD2-CZ 3.71Å; L170-F193 HydrophobicContact CG-CD1 3.82Å; L170-F193 HydrophobicContact CG-CD2 4.2Å; L170-F193 HydrophobicContact CG-CE1 3.52Å; L170-F193 HydrophobicContact CG-CE2 3.95Å; L170-F193 HydrophobicContact CG-CG 4.15Å; L170-F193 HydrophobicContact CG-CZ 3.6Å
171T98.6Very high98.3Very high87 Ų8780.2 Ų80.253%0.53438%0.383SS..  trans-74.1166.5164.665.70000111.4K173 R174 R175T171-K173 VanDerWaalsContact C-N 3.34Å; T171-K173 PolarHBondContact O-N 2.99Å; T171-R174 PolarHBondContact O-N 3.4Å; T171-R174 WeakPolarHBondContact OG1-CB 3.42Å; T171-R174 PolarHBondContact OG1-N 3.27Å; T171-R175 WeakPolarHBondContact O-CB 3.44Å; T171-R175 PolarHBondContact O-N 2.85Å; T171-R175 VanDerWaalsContact O-N 3.08Å
172R98.3Very high98.2Very high130 Ų13077 Ų7749%0.49137%0.368SS..Hα-helixtrans-55.5-48.1175.9178.365.5-176.795.5-12.2111.9I176 E186R172-I176 WeakPolarHBondContact O-CG1 3.45Å; R172-I176 PolarHBondContact O-N 3.02Å; R172-E186 IonicContact CZ-OE1 3.06Å; R172-E186 IonicContact CZ-OE2 2.75Å; R172-E186 IonicContact NE-OE2 3.48Å; R172-E186 IonicContact NH1-OE1 2.81Å; R172-E186 PolarHBondContact NH1-OE1 2.8Å; R172-E186 IonicContact NH1-OE2 3.89Å; R172-E186 PolarHBondContact NH1-OE2 3.03Å; R172-E186 IonicContact NH2-OE1 3.51Å; R172-E186 PolarHBondContact NH2-OE1 3.06Å; R172-E186 IonicContact NH2-OE2 2.82Å; R172-E186 PolarHBondContact NH2-OE2 2.95Å
173K98.4Very high98.2Very high146 Ų14674.8 Ų74.864%0.63538%0.379SS*.Hα-helixtrans-64.7-50.7-178.7-177.6-178.9175.4-178.20111.2T171 R175 I176 E177T171-K173 VanDerWaalsContact C-N 3.34Å; T171-K173 PolarHBondContact O-N 2.99Å; K173-R175 VanDerWaalsContact C-N 3.26Å; K173-R175 PolarHBondContact O-N 3.24Å; K173-I176 VanDerWaalsContact O-CB 3.32Å; K173-I176 WeakPolarHBondContact O-CB 3.36Å; K173-I176 PolarHBondContact O-N 3.43Å; K173-E177 WeakPolarHBondContact CE-OE1 3.38Å; K173-E177 PolarHBondContact O-N 3.36Å
174R98.5Very high98.2Very high88 Ų8874.8 Ų74.833%0.33238%0.379SS..Hα-helixtrans-61.3-37.2-178.6-172.156.7175.3179.4-1.4112.4E163 L170 T171 I176 E177 V178E163-R174 IonicContact OE1-CZ 3.32Å; E163-R174 IonicContact OE1-NE 2.79Å; E163-R174 IonicContact OE1-NH2 3.93Å; E163-R174 PolarHBondContact OE1-NH2 2.66Å; E163-R174 IonicContact OE2-CZ 3.11Å; E163-R174 VanDerWaalsContact OE2-CZ 3.32Å; E163-R174 IonicContact OE2-NE 2.87Å; E163-R174 PolarHBondContact OE2-NE 2.75Å; E163-R174 IonicContact OE2-NH2 3.29Å; E163-R174 PolarHBondContact OE2-NH2 2.82Å; L170-R174 HydrophobicContact CD2-CB 4.48Å; L170-R174 HydrophobicContact CD2-CG 3.88Å; T171-R174 PolarHBondContact O-N 3.4Å; T171-R174 WeakPolarHBondContact OG1-CB 3.42Å; T171-R174 PolarHBondContact OG1-N 3.27Å; R174-I176 VanDerWaalsContact C-N 3.29Å; R174-I176 PolarHBondContact O-N 3.26Å; R174-E177 VanDerWaalsContact CD-OE2 3.23Å; R174-E177 WeakPolarHBondContact CD-OE2 3.32Å; R174-E177 IonicContact CZ-OE2 3.03Å; R174-E177 IonicContact NE-OE2 2.9Å; R174-E177 IonicContact NH1-OE2 3.34Å; R174-E177 PolarHBondContact NH1-OE2 2.87Å; R174-E177 PolarHBondContact O-N 3.02Å; R174-V178 HydrophobicContact CG-CG2 4.32Å; R174-V178 WeakPolarHBondContact O-CG2 3.25Å; R174-V178 PolarHBondContact O-N 3.12Å
175R98.6Very high98.2Very high48 Ų4878.1 Ų78.118%0.18140%0.4CS..Hα-helixtrans-60.5-37.3175.2-173178.464.8-124.69.9112.8L170 T171 K173 S179 E186 V189L170-R175 HydrophobicContact CB-CB 4.46Å; L170-R175 HydrophobicContact CD1-CB 4.38Å; T171-R175 WeakPolarHBondContact O-CB 3.44Å; T171-R175 PolarHBondContact O-N 2.85Å; T171-R175 VanDerWaalsContact O-N 3.08Å; K173-R175 VanDerWaalsContact C-N 3.26Å; K173-R175 PolarHBondContact O-N 3.24Å; R175-S179 VanDerWaalsContact O-CB 3.22Å; R175-S179 WeakPolarHBondContact O-CB 3.39Å; R175-S179 PolarHBondContact O-N 3.47Å; R175-S179 PolarHBondContact O-OG 3.42Å; R175-E186 WeakPolarHBondContact CD-O 3.35Å; R175-E186 HydrophobicContact CG-CB 4.35Å; R175-E186 IonicContact CZ-OE2 3.98Å; R175-E186 IonicContact NE-OE2 3.21Å; R175-E186 PolarHBondContact NE-OE2 3.38Å; R175-E186 IonicContact NH2-OE2 2.66Å; R175-E186 PolarHBondContact NH2-OE2 3.49Å; R175-V189 HydrophobicContact CG-CB 4.19Å; R175-V189 HydrophobicContact CG-CG1 4.07Å
176I98.6Very high98.3Very high56 Ų5673.8 Ų73.829%0.28738%0.376SS..Hα-helixtrans-61.8-53.9174.8-62.3168.2000109R172 K173 R174 V178 S179 H180R172-I176 WeakPolarHBondContact O-CG1 3.45Å; R172-I176 PolarHBondContact O-N 3.02Å; K173-I176 VanDerWaalsContact O-CB 3.32Å; K173-I176 WeakPolarHBondContact O-CB 3.36Å; K173-I176 PolarHBondContact O-N 3.43Å; R174-I176 VanDerWaalsContact C-N 3.29Å; R174-I176 PolarHBondContact O-N 3.26Å; I176-V178 PolarHBondContact O-N 3.43Å; I176-S179 WeakPolarHBondContact O-CB 3.38Å; I176-S179 PolarHBondContact O-N 3.46Å; I176-S179 PolarHBondContact O-OG 2.9Å; I176-H180 WeakPolarHBondContact CG2-CD2 3.22Å; I176-H180 VanDerWaalsContact CG2-NE2 3.34Å; I176-H180 WeakPolarHBondContact CG2-NE2 3.48Å; I176-H180 PolarHBondContact O-CD2 3.44Å; I176-H180 PolarHBondContact O-N 2.9Å
177E98.6Very high98.3Very high73 Ų7374.4 Ų74.434%0.34137%0.373SS..Hα-helixtrans-54.8-50-177.8-64.6168.3-172.400112K173 R174 S179 H180 A181K173-E177 WeakPolarHBondContact CE-OE1 3.38Å; K173-E177 PolarHBondContact O-N 3.36Å; R174-E177 VanDerWaalsContact CD-OE2 3.23Å; R174-E177 WeakPolarHBondContact CD-OE2 3.32Å; R174-E177 IonicContact CZ-OE2 3.03Å; R174-E177 IonicContact NE-OE2 2.9Å; R174-E177 IonicContact NH1-OE2 3.34Å; R174-E177 PolarHBondContact NH1-OE2 2.87Å; R174-E177 PolarHBondContact O-N 3.02Å; E177-S179 VanDerWaalsContact C-N 3.32Å; E177-S179 PolarHBondContact O-N 3.32Å; E177-H180 PolarHBondContact O-N 3.47Å; E177-A181 WeakPolarHBondContact O-CB 3.48Å; E177-A181 PolarHBondContact O-N 3.46Å
178V98.6Very high98.4Very high8 Ų874 Ų745%0.04837%0.369CS..Hα-helixtrans-63.6-38.8178.5174.60000111.5L160 E163 R174 I176 A181 L182 V189L160-V178 HydrophobicContact CD2-CG1 4.12Å; E163-V178 HydrophobicContact CG-CG2 3.89Å; R174-V178 HydrophobicContact CG-CG2 4.32Å; R174-V178 WeakPolarHBondContact O-CG2 3.25Å; R174-V178 PolarHBondContact O-N 3.12Å; I176-V178 PolarHBondContact O-N 3.43Å; V178-A181 PolarHBondContact O-N 3.44Å; V178-L182 HydrophobicContact CG1-CD1 3.81Å; V178-L182 HydrophobicContact CG1-CG 4.37Å; V178-L182 WeakPolarHBondContact O-CB 3.32Å; V178-L182 WeakPolarHBondContact O-CG 3.42Å; V178-L182 PolarHBondContact O-N 3.06Å; V178-L182 VanDerWaalsContact O-N 3.13Å; V178-V189 HydrophobicContact CG1-CG1 4.12Å; V178-V189 HydrophobicContact CG1-CG2 4.42Å
179S98.6Very high98.5Very high8 Ų871.8 Ų71.86%0.05636%0.355CS..Hα-helixtrans-63.4-43.1179.876.50000112.1R175 I176 E177 L182 G183 L184R175-S179 VanDerWaalsContact O-CB 3.22Å; R175-S179 WeakPolarHBondContact O-CB 3.39Å; R175-S179 PolarHBondContact O-N 3.47Å; R175-S179 PolarHBondContact O-OG 3.42Å; I176-S179 WeakPolarHBondContact O-CB 3.38Å; I176-S179 PolarHBondContact O-N 3.46Å; I176-S179 PolarHBondContact O-OG 2.9Å; E177-S179 VanDerWaalsContact C-N 3.32Å; E177-S179 PolarHBondContact O-N 3.32Å; S179-L182 PolarHBondContact O-N 3.36Å; S179-G183 PolarHBondContact O-N 3.17Å; S179-L184 CarbonylContact C-O 3.52Å; S179-L184 VanDerWaalsContact CB-O 3.24Å; S179-L184 WeakPolarHBondContact CB-O 2.75Å; S179-L184 PolarHBondContact O-N 3.27Å; S179-L184 VanDerWaalsContact O-O 3.12Å
180H98.6Very high98.5Very high143 Ų14370.5 Ų70.566%0.66235%0.352SS*.Hα-helixtrans-67-44.3176.2-70.4-69.3000112.1I176 E177 L182 G183I176-H180 WeakPolarHBondContact CG2-CD2 3.22Å; I176-H180 VanDerWaalsContact CG2-NE2 3.34Å; I176-H180 WeakPolarHBondContact CG2-NE2 3.48Å; I176-H180 PolarHBondContact O-CD2 3.44Å; I176-H180 PolarHBondContact O-N 2.9Å; E177-H180 PolarHBondContact O-N 3.47Å; H180-L182 PolarHBondContact O-N 3.42Å; H180-G183 PolarHBondContact O-N 3.15Å
181A98.3Very high98.5Very high69 Ų6971 Ų7157%0.5736%0.355SS*.Hα-helixtrans-62.3-30.1-179.400000113.2E177 V178E177-A181 WeakPolarHBondContact O-CB 3.48Å; E177-A181 PolarHBondContact O-N 3.46Å; V178-A181 PolarHBondContact O-N 3.44Å
182L98.3Very high98.5Very high12 Ų1268.4 Ų68.46%0.06334%0.335CS..Hα-helixtrans-103.6-3.8-175.9-59.6-175000114.4Y155 Q156 E159 L160 V178 S179 H180 L184Y155-L182 HydrophobicContact CD1-CD2 4.29Å; Y155-L182 HydrophobicContact CE1-CD2 3.72Å; Q156-L182 HydrophobicContact CG-CB 4.33Å; Q156-L182 PolarHBondContact NE2-O 3.13Å; E159-L182 HydrophobicContact CB-CD1 4.16Å; E159-L182 HydrophobicContact CB-CD2 3.63Å; E159-L182 HydrophobicContact CB-CG 4.46Å; E159-L182 HydrophobicContact CG-CD2 3.96Å; L160-L182 HydrophobicContact CD1-CD1 4.44Å; L160-L182 HydrophobicContact CD2-CD1 3.88Å; L160-L182 HydrophobicContact CG-CD1 3.7Å; V178-L182 HydrophobicContact CG1-CD1 3.81Å; V178-L182 HydrophobicContact CG1-CG 4.37Å; V178-L182 WeakPolarHBondContact O-CB 3.32Å; V178-L182 WeakPolarHBondContact O-CG 3.42Å; V178-L182 PolarHBondContact O-N 3.06Å; V178-L182 VanDerWaalsContact O-N 3.13Å; S179-L182 PolarHBondContact O-N 3.36Å; H180-L182 PolarHBondContact O-N 3.42Å; L182-L184 HydrophobicContact CB-CD1 4.22Å; L182-L184 HydrophobicContact CB-CG 4.12Å; L182-L184 HydrophobicContact CD1-CD1 4.49Å; L182-L184 PolarHBondContact O-N 3.21Å
183G98.3Very high98.5Very high69 Ų6962.5 Ų62.571%0.71131%0.313SS*.THydrogen-bonded Turntrans62.131.8-174.200000113S179 H180S179-G183 PolarHBondContact O-N 3.17Å; H180-G183 PolarHBondContact O-N 3.15Å
184L98.3Very high98.5Very high17 Ų1759.4 Ų59.49%0.08930%0.301CS..  trans-108155.8177.6-65179.6000109.7Y152 L160 S179 L182 Q188 V189Y152-L184 HydrophobicContact CD1-CD2 4.03Å; Y152-L184 HydrophobicContact CE1-CD1 4.41Å; Y152-L184 HydrophobicContact CE1-CD2 3.86Å; L160-L184 HydrophobicContact CD1-CD1 4.17Å; S179-L184 CarbonylContact C-O 3.52Å; S179-L184 VanDerWaalsContact CB-O 3.24Å; S179-L184 WeakPolarHBondContact CB-O 2.75Å; S179-L184 PolarHBondContact O-N 3.27Å; S179-L184 VanDerWaalsContact O-O 3.12Å; L182-L184 HydrophobicContact CB-CD1 4.22Å; L182-L184 HydrophobicContact CB-CG 4.12Å; L182-L184 HydrophobicContact CD1-CD1 4.49Å; L182-L184 PolarHBondContact O-N 3.21Å; L184-Q188 HydrophobicContact CB-CB 4.37Å; L184-V189 HydrophobicContact CB-CG2 4.12Å
185T98.6Very high98.5Very high78 Ų7859.4 Ų59.448%0.47931%0.308SS..  trans-72.9149.3169.1630000110.3R187 Q188 V189T185-R187 PolarHBondContact O-N 2.87Å; T185-R187 VanDerWaalsContact O-N 3.09Å; T185-Q188 WeakPolarHBondContact O-CB 3.42Å; T185-Q188 PolarHBondContact O-N 2.85Å; T185-Q188 VanDerWaalsContact OG1-CG 3.25Å; T185-Q188 WeakPolarHBondContact OG1-CG 3.43Å; T185-Q188 PolarHBondContact OG1-N 3.41Å; T185-Q188 PolarHBondContact OG1-OE1 2.96Å; T185-V189 PolarHBondContact O-N 3.5Å; T185-V189 VanDerWaalsContact O-N 3.12Å
186E98.6Very high98.5Very high54 Ų5459.4 Ų59.425%0.25231%0.308SS..Hα-helixtrans-51.1-37.2172.5-71.5-164.8-137.800113.3R172 R175 V189 K190R172-E186 IonicContact CZ-OE1 3.06Å; R172-E186 IonicContact CZ-OE2 2.75Å; R172-E186 IonicContact NE-OE2 3.48Å; R172-E186 IonicContact NH1-OE1 2.81Å; R172-E186 PolarHBondContact NH1-OE1 2.8Å; R172-E186 IonicContact NH1-OE2 3.89Å; R172-E186 PolarHBondContact NH1-OE2 3.03Å; R172-E186 IonicContact NH2-OE1 3.51Å; R172-E186 PolarHBondContact NH2-OE1 3.06Å; R172-E186 IonicContact NH2-OE2 2.82Å; R172-E186 PolarHBondContact NH2-OE2 2.95Å; R175-E186 WeakPolarHBondContact CD-O 3.35Å; R175-E186 HydrophobicContact CG-CB 4.35Å; R175-E186 IonicContact CZ-OE2 3.98Å; R175-E186 IonicContact NE-OE2 3.21Å; R175-E186 PolarHBondContact NE-OE2 3.38Å; R175-E186 IonicContact NH2-OE2 2.66Å; R175-E186 PolarHBondContact NH2-OE2 3.49Å; E186-V189 PolarHBondContact O-N 3.07Å; E186-K190 WeakPolarHBondContact O-CB 3.49Å; E186-K190 PolarHBondContact O-N 3.41Å
187R98.2Very high98.4Very high182 Ų18260.2 Ų60.269%0.68731%0.307SS*.Hα-helixtrans-63.2-43178-175.5179.5-176-85.4-0.9111.1T185 K190 I191T185-R187 PolarHBondContact O-N 2.87Å; T185-R187 VanDerWaalsContact O-N 3.09Å; R187-K190 PolarHBondContact O-N 3.34Å; R187-I191 HydrophobicContact CG-CD1 3.89Å; R187-I191 WeakPolarHBondContact O-CB 3.28Å; R187-I191 VanDerWaalsContact O-CG1 3.28Å; R187-I191 WeakPolarHBondContact O-CG1 3.39Å; R187-I191 PolarHBondContact O-N 3.22Å
188Q98.4Very high98.4Very high60 Ų6062.3 Ų62.328%0.2832%0.318SS..Hα-helixtrans-62.2-46176.2-77.7164.9-48.800111.1Y152 L184 T185 K190 I191 W192Y152-Q188 WeakPolarHBondContact OH-CB 3.17Å; L184-Q188 HydrophobicContact CB-CB 4.37Å; T185-Q188 WeakPolarHBondContact O-CB 3.42Å; T185-Q188 PolarHBondContact O-N 2.85Å; T185-Q188 VanDerWaalsContact OG1-CG 3.25Å; T185-Q188 WeakPolarHBondContact OG1-CG 3.43Å; T185-Q188 PolarHBondContact OG1-N 3.41Å; T185-Q188 PolarHBondContact OG1-OE1 2.96Å; Q188-K190 VanDerWaalsContact C-N 3.34Å; Q188-K190 PolarHBondContact O-N 3.28Å; Q188-I191 PolarHBondContact O-N 2.89Å; Q188-W192 WeakPolarHBondContact O-CB 3.49Å; Q188-W192 PolarHBondContact O-N 3.34Å
189V98.6Very high98.3Very high0 Ų067.5 Ų67.50%034%0.34CS..Hα-helixtrans-59.7-45.7175.5-178.50000110.6L160 L170 R175 V178 L184 T185 E186 I191 W192 F193L160-V189 HydrophobicContact CD2-CG1 4.23Å; L170-V189 HydrophobicContact CD1-CG1 3.67Å; R175-V189 HydrophobicContact CG-CB 4.19Å; R175-V189 HydrophobicContact CG-CG1 4.07Å; V178-V189 HydrophobicContact CG1-CG1 4.12Å; V178-V189 HydrophobicContact CG1-CG2 4.42Å; L184-V189 HydrophobicContact CB-CG2 4.12Å; T185-V189 PolarHBondContact O-N 3.5Å; T185-V189 VanDerWaalsContact O-N 3.12Å; E186-V189 PolarHBondContact O-N 3.07Å; V189-I191 PolarHBondContact O-N 3.24Å; V189-W192 PolarHBondContact O-N 3.1Å; V189-F193 HydrophobicContact CG1-CD2 4.04Å; V189-F193 HydrophobicContact CG1-CE2 4.18Å; V189-F193 WeakPolarHBondContact O-CD2 3.45Å; V189-F193 PolarHBondContact O-N 2.98Å
190K98.4Very high98.1Very high113 Ų11372.5 Ų72.549%0.49136%0.358SS..Hα-helixtrans-58-47.2176.2-179.7179.7176.5-178.50112.2E186 R187 Q188 F193 Q194E186-K190 WeakPolarHBondContact O-CB 3.49Å; E186-K190 PolarHBondContact O-N 3.41Å; R187-K190 PolarHBondContact O-N 3.34Å; Q188-K190 VanDerWaalsContact C-N 3.34Å; Q188-K190 PolarHBondContact O-N 3.28Å; K190-F193 PolarHBondContact O-N 3.17Å; K190-Q194 WeakPolarHBondContact O-CG 3.37Å; K190-Q194 PolarHBondContact O-N 2.78Å
191I98.5Very high97.9Very high51 Ų5171.4 Ų71.426%0.26235%0.351SS..Hα-helixtrans-65.5-41.4179.4-71.6169.1000110.6R187 Q188 V189 F193 Q194 N195R187-I191 HydrophobicContact CG-CD1 3.89Å; R187-I191 WeakPolarHBondContact O-CB 3.28Å; R187-I191 VanDerWaalsContact O-CG1 3.28Å; R187-I191 WeakPolarHBondContact O-CG1 3.39Å; R187-I191 PolarHBondContact O-N 3.22Å; Q188-I191 PolarHBondContact O-N 2.89Å; V189-I191 PolarHBondContact O-N 3.24Å; I191-F193 PolarHBondContact O-N 3.33Å; I191-Q194 WeakPolarHBondContact O-CB 3.47Å; I191-Q194 PolarHBondContact O-N 3.2Å; I191-N195 VanDerWaalsContact O-CG 3.27Å; I191-N195 PolarHBondContact O-N 3.14Å; I191-N195 PolarHBondContact O-ND2 2.98Å
192W98.6Very high97.7Very high31 Ų3175.3 Ų75.312%0.11736%0.355CS..Hα-helixtrans-61.7-45.4177.9-170.994.3000111.2Y152 L160 E161 F164 Q188 V189 Q194 N195 R196Y152-W192 AromaticContact CD2-CD1 3.8Å; Y152-W192 HydrophobicContact CE2-CB 4.32Å; Y152-W192 AromaticContact CE2-CD1 3.53Å; Y152-W192 HydrophobicContact CE2-CG 4.21Å; L160-W192 VanDerWaalsContact C-CH2 3.44Å; L160-W192 HydrophobicContact CB-CD2 3.87Å; L160-W192 HydrophobicContact CB-CE3 3.82Å; L160-W192 HydrophobicContact CB-CH2 3.61Å; L160-W192 HydrophobicContact CB-CZ2 3.62Å; L160-W192 HydrophobicContact CB-CZ3 3.71Å; L160-W192 HydrophobicContact CD1-CB 4.47Å; L160-W192 HydrophobicContact CD1-CD2 3.8Å; L160-W192 HydrophobicContact CD1-CE3 4.43Å; L160-W192 HydrophobicContact CD1-CG 3.8Å; L160-W192 HydrophobicContact CD2-CD2 4.32Å; L160-W192 HydrophobicContact CD2-CE3 4.18Å; L160-W192 HydrophobicContact CG-CD2 4.22Å; L160-W192 HydrophobicContact CG-CE3 4.37Å; L160-W192 WeakPolarHBondContact O-CH2 3.42Å; L160-W192 WeakPolarHBondContact O-CZ3 3.27Å; E161-W192 HydrophobicContact CG-CH2 3.92Å; E161-W192 HydrophobicContact CG-CZ2 3.95Å; F164-W192 HydrophobicContact CB-CH2 4.36Å; F164-W192 HydrophobicContact CB-CZ3 4.1Å; Q188-W192 WeakPolarHBondContact O-CB 3.49Å; Q188-W192 PolarHBondContact O-N 3.34Å; V189-W192 PolarHBondContact O-N 3.1Å; W192-Q194 VanDerWaalsContact C-N 3.33Å; W192-Q194 PolarHBondContact O-N 3.04Å; W192-N195 PolarHBondContact O-N 3.18Å; W192-R196 HydrophobicContact CE3-CB 4.01Å; W192-R196 HydrophobicContact CH2-CB 4.04Å; W192-R196 HydrophobicContact CH2-CG 3.8Å; W192-R196 HydrophobicContact CZ3-CB 3.74Å; W192-R196 HydrophobicContact CZ3-CG 3.83Å; W192-R196 WeakPolarHBondContact O-CB 3.3Å; W192-R196 PolarHBondContact O-N 3.5Å
193F98.8Very high97.4Very high7 Ų778.2 Ų78.23%0.03137%0.369CS..Hα-helixtrans-64.8-33.2175.6-90.8-102.7000113.2L160 E163 F164 L170 V189 K190 I191 R197L160-F193 HydrophobicContact CD2-CE2 4.04Å; E163-F193 HydrophobicContact CB-CZ 3.97Å; F164-F193 HydrophobicContact CB-CE1 4.17Å; F164-F193 HydrophobicContact CB-CZ 4.3Å; F164-F193 AromaticContact CD2-CD1 3.98Å; F164-F193 HydrophobicContact CD2-CD1 3.98Å; F164-F193 AromaticContact CD2-CE1 3.93Å; F164-F193 HydrophobicContact CD2-CE1 3.93Å; L170-F193 HydrophobicContact CD1-CD1 4.23Å; L170-F193 HydrophobicContact CD1-CD2 3.68Å; L170-F193 HydrophobicContact CD1-CE1 3.99Å; L170-F193 HydrophobicContact CD1-CE2 3.42Å; L170-F193 VanDerWaalsContact CD1-CE2 3.42Å; L170-F193 HydrophobicContact CD1-CG 4.09Å; L170-F193 HydrophobicContact CD1-CZ 3.59Å; L170-F193 HydrophobicContact CD2-CE1 3.77Å; L170-F193 HydrophobicContact CD2-CE2 4.42Å; L170-F193 HydrophobicContact CD2-CZ 3.71Å; L170-F193 HydrophobicContact CG-CD1 3.82Å; L170-F193 HydrophobicContact CG-CD2 4.2Å; L170-F193 HydrophobicContact CG-CE1 3.52Å; L170-F193 HydrophobicContact CG-CE2 3.95Å; L170-F193 HydrophobicContact CG-CG 4.15Å; L170-F193 HydrophobicContact CG-CZ 3.6Å; V189-F193 HydrophobicContact CG1-CD2 4.04Å; V189-F193 HydrophobicContact CG1-CE2 4.18Å; V189-F193 WeakPolarHBondContact O-CD2 3.45Å; V189-F193 PolarHBondContact O-N 2.98Å; K190-F193 PolarHBondContact O-N 3.17Å; I191-F193 PolarHBondContact O-N 3.33Å; F193-R197 WeakPolarHBondContact O-CB 3.2Å; F193-R197 WeakPolarHBondContact O-CG 3.26Å; F193-R197 PolarHBondContact O-N 2.93Å; F193-R197 VanDerWaalsContact O-N 3.1Å; F193-R197 PolarHBondContact O-NE 3.32Å
194Q98.6Very high96.7Very high80 Ų8078.7 Ų78.737%0.37436%0.355SS..Hα-helixtrans-64.3-50.7171-74.9174.6-1.400111.1K190 I191 W192 R196 R197 M198K190-Q194 WeakPolarHBondContact O-CG 3.37Å; K190-Q194 PolarHBondContact O-N 2.78Å; I191-Q194 WeakPolarHBondContact O-CB 3.47Å; I191-Q194 PolarHBondContact O-N 3.2Å; W192-Q194 VanDerWaalsContact C-N 3.33Å; W192-Q194 PolarHBondContact O-N 3.04Å; Q194-R196 VanDerWaalsContact C-N 3.32Å; Q194-R196 PolarHBondContact O-N 3.45Å; Q194-R197 PolarHBondContact O-N 3.28Å; Q194-M198 WeakPolarHBondContact O-CG 3.44Å; Q194-M198 PolarHBondContact O-N 2.81Å
195N98.3Very high95.4Very high89 Ų8982.7 Ų82.748%0.47638%0.376SS..Hα-helixtrans-61.1-41.7178.3-68.2-21.9000111.8I191 W192 M198 K199I191-N195 VanDerWaalsContact O-CG 3.27Å; I191-N195 PolarHBondContact O-N 3.14Å; I191-N195 PolarHBondContact O-ND2 2.98Å; W192-N195 PolarHBondContact O-N 3.18Å; N195-M198 PolarHBondContact O-N 3.31Å; N195-K199 PolarHBondContact O-N 3.2Å
196R98.3Very high93.6Very high48 Ų4886 Ų8618%0.18138%0.384CS..Hα-helixtrans-64.3-42.5179.8-175.761.6-171.6120-10.2111.8F164 W192 Q194 M198 K199 W200 E203F164-R196 HydrophobicContact CB-CG 4.45Å; F164-R196 HydrophobicContact CD1-CG 3.8Å; F164-R196 HydrophobicContact CD2-CB 4.15Å; F164-R196 HydrophobicContact CD2-CG 3.55Å; F164-R196 HydrophobicContact CE1-CG 3.87Å; F164-R196 HydrophobicContact CE2-CB 4.15Å; F164-R196 HydrophobicContact CE2-CG 3.63Å; F164-R196 HydrophobicContact CG-CG 3.65Å; F164-R196 HydrophobicContact CZ-CG 3.79Å; W192-R196 HydrophobicContact CE3-CB 4.01Å; W192-R196 HydrophobicContact CH2-CB 4.04Å; W192-R196 HydrophobicContact CH2-CG 3.8Å; W192-R196 HydrophobicContact CZ3-CB 3.74Å; W192-R196 HydrophobicContact CZ3-CG 3.83Å; W192-R196 WeakPolarHBondContact O-CB 3.3Å; W192-R196 PolarHBondContact O-N 3.5Å; Q194-R196 VanDerWaalsContact C-N 3.32Å; Q194-R196 PolarHBondContact O-N 3.45Å; R196-M198 PolarHBondContact O-N 3.11Å; R196-K199 PolarHBondContact O-N 3.24Å; R196-W200 WeakPolarHBondContact O-CB 3.32Å; R196-W200 PolarHBondContact O-N 3.34Å; R196-E203 IonicContact NH1-OE2 3.31Å; R196-E203 PolarHBondContact NH1-OE2 2.91Å
197R98Very high91.7Very high72 Ų7288.6 Ų88.627%0.27240%0.4SS..Hα-helixtrans-62.4-40173.3-74.9-178.2-69.2166.8-0.2112.5F164 P168 F193 Q194 K199 W200 K201F164-R197 HydrophobicContact CE2-CG 3.76Å; F164-R197 HydrophobicContact CZ-CG 4.3Å; P168-R197 WeakPolarHBondContact O-CD 3.37Å; F193-R197 WeakPolarHBondContact O-CB 3.2Å; F193-R197 WeakPolarHBondContact O-CG 3.26Å; F193-R197 PolarHBondContact O-N 2.93Å; F193-R197 VanDerWaalsContact O-N 3.1Å; F193-R197 PolarHBondContact O-NE 3.32Å; Q194-R197 PolarHBondContact O-N 3.28Å; R197-K199 VanDerWaalsContact C-N 3.34Å; R197-W200 PolarHBondContact O-N 2.9Å; R197-K201 WeakPolarHBondContact O-CB 3.49Å; R197-K201 PolarHBondContact O-N 3.41Å
198M97.7Very high89.5Confident118 Ų11888 Ų8858%0.58140%0.402SS*.Hα-helixtrans-63.2-41.7175.8-66.6-61.3-84.300111.7Q194 N195 R196 K202Q194-M198 WeakPolarHBondContact O-CG 3.44Å; Q194-M198 PolarHBondContact O-N 2.81Å; N195-M198 PolarHBondContact O-N 3.31Å; R196-M198 PolarHBondContact O-N 3.11Å; M198-K202 PolarHBondContact O-N 2.9Å
199K96.2Very high87Confident116 Ų11693.7 Ų93.750%0.50443%0.426SS..Hα-helixtrans-63.8-48.7174.4-178.2175.5171.3-1780111.5N195 R196 R197 K201 K202 E203N195-K199 PolarHBondContact O-N 3.2Å; R196-K199 PolarHBondContact O-N 3.24Å; R197-K199 VanDerWaalsContact C-N 3.34Å; K199-K201 VanDerWaalsContact C-N 3.34Å; K199-K201 PolarHBondContact O-N 2.86Å; K199-K202 WeakPolarHBondContact O-CB 3.42Å; K199-K202 PolarHBondContact O-N 3.21Å; K199-E203 WeakPolarHBondContact CE-OE1 3.42Å; K199-E203 HydrophobicContact CG-CG 4.45Å; K199-E203 VanDerWaalsContact CG-OE1 3.26Å; K199-E203 WeakPolarHBondContact CG-OE1 3.34Å; K199-E203 IonicContact NZ-OE1 2.89Å; K199-E203 WeakPolarHBondContact O-CG 3.41Å; K199-E203 PolarHBondContact O-N 3.18Å
200W95.2Very high84.6Confident114 Ų11498.3 Ų98.343%0.43246%0.456SS..Hα-helixtrans-57.7-44.2177.3178.374.9000112.3F164 R196 R197 K202 E203 N204F164-W200 HydrophobicContact CE1-CB 4.37Å; F164-W200 HydrophobicContact CE1-CG 4.37Å; F164-W200 HydrophobicContact CZ-CB 4.07Å; F164-W200 HydrophobicContact CZ-CG 4.24Å; R196-W200 WeakPolarHBondContact O-CB 3.32Å; R196-W200 PolarHBondContact O-N 3.34Å; R197-W200 PolarHBondContact O-N 2.9Å; W200-K202 VanDerWaalsContact C-N 3.28Å; W200-K202 PolarHBondContact O-N 3.46Å; W200-E203 PolarHBondContact O-N 2.69Å; W200-N204 VanDerWaalsContact CZ2-ND2 3.33Å; W200-N204 WeakPolarHBondContact CZ2-ND2 3.41Å; W200-N204 PolarHBondContact NE1-ND2 3.46Å; W200-N204 PolarHBondContact NE1-OD1 3.16Å; W200-N204 WeakPolarHBondContact O-CB 3.4Å; W200-N204 PolarHBondContact O-N 3.07Å
201K94.8Very high82.2Confident120 Ų12098.3 Ų98.352%0.52247%0.471SS..Hα-helixtrans-59.3-39174.7-175-178.168.8175.20112.1R197 K199 N205R197-K201 WeakPolarHBondContact O-CB 3.49Å; R197-K201 PolarHBondContact O-N 3.41Å; K199-K201 VanDerWaalsContact C-N 3.34Å; K199-K201 PolarHBondContact O-N 2.86Å; K201-N205 WeakPolarHBondContact O-CB 3.48Å; K201-N205 PolarHBondContact O-N 3.5Å
202K93.3Very high79.8Confident151 Ų15199.1 Ų99.166%0.65748%0.481SS*.Hα-helixtrans-71.3-34.8178.9-174.1177.4179.5179.30112.1M198 K199 W200M198-K202 PolarHBondContact O-N 2.9Å; K199-K202 WeakPolarHBondContact O-CB 3.42Å; K199-K202 PolarHBondContact O-N 3.21Å; W200-K202 VanDerWaalsContact C-N 3.28Å; W200-K202 PolarHBondContact O-N 3.46Å
203E91.1Very high77.4Confident73 Ų73104.5 Ų104.534%0.34151%0.505SS..Hα-helixtrans-73.1-55.3178.5-69.5165.7168.300110.5R196 K199 W200 N205 K206R196-E203 IonicContact NH1-OE2 3.31Å; R196-E203 PolarHBondContact NH1-OE2 2.91Å; K199-E203 WeakPolarHBondContact CE-OE1 3.42Å; K199-E203 HydrophobicContact CG-CG 4.45Å; K199-E203 VanDerWaalsContact CG-OE1 3.26Å; K199-E203 WeakPolarHBondContact CG-OE1 3.34Å; K199-E203 IonicContact NZ-OE1 2.89Å; K199-E203 WeakPolarHBondContact O-CG 3.41Å; K199-E203 PolarHBondContact O-N 3.18Å; W200-E203 PolarHBondContact O-N 2.69Å; E203-N205 VanDerWaalsContact C-N 3.26Å; E203-N205 PolarHBondContact O-N 3.26Å; E203-K206 WeakPolarHBondContact O-CB 3.34Å; E203-K206 PolarHBondContact O-N 2.82Å; E203-K206 VanDerWaalsContact O-N 3.11Å
204N84.9Confident75.3Confident79 Ų79108.1 Ų108.142%0.42253%0.528SS..Hα-helixtrans-68.7-17.5-178.3-85.535.7000114.9W200W200-N204 VanDerWaalsContact CZ2-ND2 3.33Å; W200-N204 WeakPolarHBondContact CZ2-ND2 3.41Å; W200-N204 PolarHBondContact NE1-ND2 3.46Å; W200-N204 PolarHBondContact NE1-OD1 3.16Å; W200-N204 WeakPolarHBondContact O-CB 3.4Å; W200-N204 PolarHBondContact O-N 3.07Å
205N70.1Confident73.2Confident101 Ų101111 Ų11154%0.5454%0.541SS..THydrogen-bonded Turntrans-88.1-6.9176.4-157.99.4000112.8K201 E203K201-N205 WeakPolarHBondContact O-CB 3.48Å; K201-N205 PolarHBondContact O-N 3.5Å; E203-N205 VanDerWaalsContact C-N 3.26Å; E203-N205 PolarHBondContact O-N 3.26Å
206K60.5Low71Confident146 Ų146114 Ų11464%0.63555%0.552SS**THydrogen-bonded Turntrans-78.6-30.7172.9-81.7174.3158.5-1620112.4E203 K208 F209E203-K206 WeakPolarHBondContact O-CB 3.34Å; E203-K206 PolarHBondContact O-N 2.82Å; E203-K206 VanDerWaalsContact O-N 3.11Å; K206-K208 PolarHBondContact O-N 2.96Å; K206-F209 PolarHBondContact O-N 3.01Å; K206-F209 VanDerWaalsContact O-N 3.16Å
207D58.5Low69.1Low110 Ų110116.7 Ų116.759%0.58857%0.567SS**THydrogen-bonded Turntrans-75.5-7.8-179.5-53.4-31.4000113.3F209D207-F209 PolarHBondContact O-N 3.11Å
208K53.4Low67.3Low169 Ų169119 Ų11974%0.73558%0.581SS**THydrogen-bonded Turntrans-79.3-3.8170-67-166.9178.1-164.70113.5K206K206-K208 PolarHBondContact O-N 2.96Å
209F45.3Very low65.5Low179 Ų179118.7 Ų118.779%0.78558%0.58SS**SBendtrans-102.8115.1156.6-86.6-84.4000108.3K206 D207 S211K206-F209 PolarHBondContact O-N 3.01Å; K206-F209 VanDerWaalsContact O-N 3.16Å; D207-F209 PolarHBondContact O-N 3.11Å; F209-S211 PolarHBondContact O-N 3.31Å
210P48.9Very low64Low98 Ų98118.1 Ų118.164%0.63658%0.579SS**  trans-75.3104.9-170.331.1-32.5000109.4
211S46.9Very low62.5Low113 Ų113118.6 Ų118.679%0.7958%0.584SS**SBendtrans-116.110.5156.1-165.20000112.4F209F209-S211 PolarHBondContact O-N 3.31Å
212S48.6Very low61Low68 Ų68118.2 Ų118.248%0.47659%0.585SS.*SBendtrans-13638.8179.362.60000112.1
213K49.3Very low59.6Low143 Ų143118.2 Ų118.262%0.62259%0.585SS**SBendtrans-87.3-20.9159.6-98.9-172.6174-173.70112.3E217K213-E217 PolarHBondContact O-N 3.43Å
214T53.4Low58.2Low84 Ų84122 Ų12252%0.51560%0.596SS.*Hα-helixtrans-69.1-41.2-174.6-43.60000112.4Q216 E217 E218T214-Q216 PolarHBondContact O-N 2.88Å; T214-E217 PolarHBondContact O-N 3.27Å; T214-E218 WeakPolarHBondContact O-CB 3.29Å; T214-E218 WeakPolarHBondContact O-CG 3.5Å; T214-E218 PolarHBondContact O-N 3.45Å
215E53.9Low57Low141 Ų141125.3 Ų125.366%0.65961%0.609SS**Hα-helixtrans-71.9-30.6-176.2-68.9178.9172.200113.3I219E215-I219 VanDerWaalsContact O-CD1 3.3Å; E215-I219 WeakPolarHBondContact O-CD1 3.46Å; E215-I219 WeakPolarHBondContact O-CG1 3.33Å; E215-I219 PolarHBondContact O-N 3.38Å
216Q53.3Low56.5Low151 Ų151128 Ų12871%0.70662%0.616SS**Hα-helixtrans-79.6-35.4177.2-72.5-177.4-14.700112.4T214 E220T214-Q216 PolarHBondContact O-N 2.88Å; Q216-E220 PolarHBondContact O-N 3.35Å
217E58Low56.3Low104 Ų104128.7 Ų128.749%0.48662%0.621SS.*Hα-helixtrans-71-32.1173.1-81.8-176.4-172.500112.6K213 T214 K221K213-E217 PolarHBondContact O-N 3.43Å; T214-E217 PolarHBondContact O-N 3.27Å; E217-K221 WeakPolarHBondContact O-CB 3.39Å; E217-K221 VanDerWaalsContact O-CG 3.29Å; E217-K221 WeakPolarHBondContact O-CG 3.36Å; E217-K221 PolarHBondContact O-N 2.81Å
218E60.5Low56.1Low122 Ų122131.7 Ų131.757%0.5763%0.632SS**Hα-helixtrans-69.1-42.2175.2-80.2-17517100112.2T214 E220 K221 E222T214-E218 WeakPolarHBondContact O-CB 3.29Å; T214-E218 WeakPolarHBondContact O-CG 3.5Å; T214-E218 PolarHBondContact O-N 3.45Å; E218-E220 VanDerWaalsContact C-N 3.31Å; E218-E220 PolarHBondContact O-N 3.11Å; E218-K221 PolarHBondContact O-N 3.05Å; E218-E222 WeakPolarHBondContact O-CB 3.42Å; E218-E222 PolarHBondContact O-N 3.4Å
219I60.5Low55.8Low110 Ų110127 Ų12756%0.56463%0.631SS**Hα-helixtrans-65.7-34.9176.1-65165.7000111.2E215 K223E215-I219 VanDerWaalsContact O-CD1 3.3Å; E215-I219 WeakPolarHBondContact O-CD1 3.46Å; E215-I219 WeakPolarHBondContact O-CG1 3.33Å; E215-I219 PolarHBondContact O-N 3.38Å; I219-K223 PolarHBondContact O-N 3.47Å
220E64.3Low56Low104 Ų104123.1 Ų123.149%0.48663%0.632SS.*Hα-helixtrans-74.4-36.1176.2-163.9177.216200112.6Q216 E218 R224Q216-E220 PolarHBondContact O-N 3.35Å; E218-E220 VanDerWaalsContact C-N 3.31Å; E218-E220 PolarHBondContact O-N 3.11Å; E220-R224 WeakPolarHBondContact O-CG 3.14Å; E220-R224 PolarHBondContact O-N 2.89Å; E220-R224 VanDerWaalsContact O-N 3.13Å; E220-R224 IonicContact OE1-CZ 2.68Å; E220-R224 IonicContact OE1-NE 3.68Å; E220-R224 PolarHBondContact OE1-NE 2.93Å; E220-R224 IonicContact OE1-NH2 3.92Å; E220-R224 PolarHBondContact OE1-NH2 3.19Å
221K63.1Low56Low124 Ų124121.5 Ų121.554%0.53963%0.633SS.*Hα-helixtrans-68.9-38.1174.1-77.9174.9-178.2170.20112.3E217 E218 R224 Q225E217-K221 WeakPolarHBondContact O-CB 3.39Å; E217-K221 VanDerWaalsContact O-CG 3.29Å; E217-K221 WeakPolarHBondContact O-CG 3.36Å; E217-K221 PolarHBondContact O-N 2.81Å; E218-K221 PolarHBondContact O-N 3.05Å; K221-R224 PolarHBondContact O-N 3.37Å; K221-Q225 WeakPolarHBondContact O-CG 3.47Å; K221-Q225 PolarHBondContact O-N 2.95Å
222E63.3Low56Low112 Ų112122.6 Ų122.652%0.52364%0.635SS.*Hα-helixtrans-68-37.4177.2-160.8-168.4150.300111.7E218 Q225 K226E218-E222 WeakPolarHBondContact O-CB 3.42Å; E218-E222 PolarHBondContact O-N 3.4Å; E222-Q225 PolarHBondContact O-N 3.36Å; E222-K226 PolarHBondContact O-N 3.12Å; E222-K226 VanDerWaalsContact O-N 3.15Å; E222-K226 IonicContact OE1-NZ 3.4Å; E222-K226 PolarHBondContact OE1-NZ 3.16Å
223K63.5Low55.8Low152 Ų152128.9 Ų128.966%0.66166%0.656SS**Hα-helixtrans-63.6-42.6172.4-95.1-172.4171.9-172.10112.7I219 Q225 K226 E227I219-K223 PolarHBondContact O-N 3.47Å; K223-Q225 VanDerWaalsContact C-N 3.33Å; K223-Q225 PolarHBondContact O-N 3.12Å; K223-K226 PolarHBondContact O-N 2.93Å; K223-E227 PolarHBondContact O-N 3.06Å
224R63Low55.5Low152 Ų152128 Ų12857%0.57467%0.668SS**Hα-helixtrans-68.7-29179.2-71.8174-176.3-95.83.1113.1E220 K221E220-R224 WeakPolarHBondContact O-CG 3.14Å; E220-R224 PolarHBondContact O-N 2.89Å; E220-R224 VanDerWaalsContact O-N 3.13Å; E220-R224 IonicContact OE1-CZ 2.68Å; E220-R224 IonicContact OE1-NE 3.68Å; E220-R224 PolarHBondContact OE1-NE 2.93Å; E220-R224 IonicContact OE1-NH2 3.92Å; E220-R224 PolarHBondContact OE1-NH2 3.19Å; K221-R224 PolarHBondContact O-N 3.37Å
225Q59.8Low54.7Low148 Ų148130.1 Ų130.169%0.69269%0.687SS**Hα-helixtrans-79-31.4176.5-731797.500113.1K221 E222 K223 E227 Q228K221-Q225 WeakPolarHBondContact O-CG 3.47Å; K221-Q225 PolarHBondContact O-N 2.95Å; E222-Q225 PolarHBondContact O-N 3.36Å; K223-Q225 VanDerWaalsContact C-N 3.33Å; K223-Q225 PolarHBondContact O-N 3.12Å; Q225-E227 VanDerWaalsContact C-N 3.32Å; Q225-E227 PolarHBondContact O-N 2.75Å; Q225-Q228 PolarHBondContact O-N 2.89Å
226K59.3Low54.2Low158 Ų158126.5 Ų126.569%0.68769%0.688SS**Hα-helixtrans-68.5-27.4175.1-103.4171179.1154.40113.8E222 K223E222-K226 PolarHBondContact O-N 3.12Å; E222-K226 VanDerWaalsContact O-N 3.15Å; E222-K226 IonicContact OE1-NZ 3.4Å; E222-K226 PolarHBondContact OE1-NZ 3.16Å; K223-K226 PolarHBondContact O-N 2.93Å
227E56.3Low53.9Low161 Ų161128 Ų12875%0.75270%0.695SS**Hα-helixtrans-79.6-19.9178.8-73.2177.1171.100113.8K223 Q225K223-E227 PolarHBondContact O-N 3.06Å; Q225-E227 VanDerWaalsContact C-N 3.32Å; Q225-E227 PolarHBondContact O-N 2.75Å
228Q53.9Low53.4Low173 Ų173129.9 Ų129.981%0.80871%0.708SS**Hα-helixtrans-92.2-8.1-179.8-67-175.611.800114.4Q225Q225-Q228 PolarHBondContact O-N 2.89Å
229G47.2Very low52.9Low69 Ų69130.3 Ų130.371%0.71172%0.723SS**SBendtrans-93-5.3-176.500000116.3
230A49.6Very low52.6Low98 Ų98132.4 Ų132.481%0.8174%0.735SS**SBendtrans-94.212.4-170.900000115
231G49.1Very low51.9Low64 Ų64136.6 Ų136.666%0.6675%0.752SS**SBendtrans-133.929.3-163.500000117.6
232T45.2Very low51.5Low136 Ų136135 Ų13583%0.83476%0.762SS**SBendtrans-159.875.6164.1-31.20000113.1
233H44.9Very low51Low200 Ų200138.2 Ų138.293%0.92677%0.774SS**  trans-159.480.8154.4-119.1-77.1000109.9
234S43.1Very low50.6Low124 Ų124139 Ų13987%0.86778%0.78SS**  trans-170.890.3160.8173.60000109.6
235S36.9Very low49.9Very low129 Ų129144.4 Ų144.490%0.90282%0.815SS**  trans-16886.3141.4-162.90000109.1
236G44Very low49.4Very low66 Ų66144.3 Ų144.368%0.6882%0.821SS**  trans-139.1109.115600000105.3
237E46.7Very low48.9Very low183 Ų183143.5 Ų143.586%0.85583%0.829SS**  trans165.3129.6136.1-87.3169.1168.200111.5
238D48.1Very low48.5Very low142 Ų142142.6 Ų142.676%0.75983%0.833SS**  trans64.9112.4153.6-71.3-37.9000122.6
239C49.3Very low48.2Very low132 Ų132140.8 Ų140.889%0.89283%0.834SS**  trans-138.472139.2-159.40000110
240D54.6Low48.3Very low153 Ų153145.3 Ų145.382%0.81884%0.842SS**  trans-82101.4156.2-115.1-38.3000108.5
241K49.1Very low48.2Very low192 Ų192148.4 Ų148.484%0.83584%0.844SS**  trans-165.9107.8147.1-132.4167.1-178.4170.50113.2
242A54.2Low48.1Very low91 Ų91154.4 Ų154.475%0.75286%0.857SS**  trans30.7134136.400000119.7
243K53.7Low48.3Very low179 Ų179155.8 Ų155.878%0.77886%0.859SS**  162.4110.495.8-165.7163.3-172.4-171.60111.5
244Q55.2Low48.6Very low168 Ų168152.2 Ų152.279%0.78585%0.853SS**  53.2104.4126.8-149.7152.823.400119.1
245M48.5Very low49.1Very low267 Ų267154.7 Ų154.7100%1.31585%0.852SS**  -164.70122.5-103.1-172.1138.100110.2

Retrieved 245 of 245 residues in 1179.7 ms (Link to these results)