A0A060VVX2_ONCMY Loading...

Kruppel like factor 17

AlphaFold DB , UniProt , Accession A0A060VVX2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110508725, Length 429 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.8Very low42.2Very low251 Ų251154.8 Ų154.8100%1.23689%0.888SS**  070.40-68.6173.3-173.100107.8
2A43Very low41.4Very low96 Ų96153.5 Ų153.579%0.79388%0.876SS**  trans-101.899179.600000106.5
3L39.8Very low40.7Very low178 Ų178151.8 Ų151.893%0.93287%0.871SS**  trans175.556.5167.7-102.4157.5000109.8
4A41.5Very low40Very low97 Ų97154.4 Ų154.480%0.80287%0.867SS**SBendtrans-157.332.5170.400000113.3
5D40.8Very low39.4Very low169 Ų169150.8 Ų150.890%0.90486%0.857SS**SBendtrans-139.228-174.7-113.5-16.8000114.7
6A42.2Very low39Very low98 Ų98147.4 Ų147.481%0.8185%0.846SS**SBendtrans-134.122.2-179.600000114.9
7M42.5Very low38.7Very low192 Ų192145.9 Ų145.995%0.94685%0.846SS**SBendtrans-114.712.3173.9-75.2-163.7164.100114.3
8L49.4Very low38.4Very low163 Ų163144.6 Ų144.685%0.85384%0.843SS**SBendtrans-133.145.2178.4-83174.4000113.9
9Q43.6Very low38Very low185 Ų185144.1 Ų144.186%0.86484%0.842SS**SBendtrans-14479.3165.1-67.9-173.917.400111.3
10S33.9Very low37.9Very low121 Ų121146.2 Ų146.285%0.84685%0.846SS**  trans178.838.3148.737.50000113.1N12S10-N12 PolarHBondContact O-N 3.22Å
11I41.6Very low38.1Very low153 Ų153148 Ų14879%0.78585%0.847SS**  trans-80.1101.6146.6-62.6175.1000105.4
12N33.2Very low37.5Very low139 Ų139145 Ų14574%0.74383%0.83SS**  trans138.595.4157.6-73.7-24000109.7S10S10-N12 PolarHBondContact O-N 3.22Å
13T32.2Very low37Very low132 Ų132150.2 Ų150.281%0.8183%0.834SS**  179.7132.2122.228.10000110.3
14F30.6Very low36.8Very low187 Ų187151 Ų15182%0.8283%0.833SS**  trans67.5104159-94.2-107.5000117.4
15S30.5Very low36.2Very low101 Ų101151.9 Ų151.971%0.70683%0.834SS**  58.3129.371.2-171.60000113.2
16S33.2Very low35.6Very low97 Ų97147.9 Ų147.968%0.67882%0.824SS**  trans97.5107.2164.8-22.80000116.2
17S33.3Very low35Very low122 Ų122150.6 Ų150.685%0.85382%0.823SS**  trans-54.6152.1155.5-56.70000111.2
18P34.2Very low34.3Very low122 Ų122151.5 Ų151.579%0.79282%0.822SS**  -135.9169.812629.7-12.2000114
19T31.5Very low33.4Very low135 Ų135151.9 Ų151.983%0.82882%0.819SS**  trans-76.9163.9-161.343.20000115.8E21T19-E21 PolarHBondContact O-N 3.28Å; T19-E21 VanDerWaalsContact O-N 3.14Å
20M35.1Very low32.7Very low186 Ų186149 Ų14992%0.91681%0.81SS**SBendtrans-59.4102.4167.1-75.3-89.4-78.400110.7
21E41.2Very low32.2Very low184 Ų184155.9 Ų155.986%0.8682%0.817SS**  trans165.1100.9151.8-98.3171.6171.800107.2T19T19-E21 PolarHBondContact O-N 3.28Å; T19-E21 VanDerWaalsContact O-N 3.14Å
22E34Very low31.6Very low189 Ų189156.8 Ų156.888%0.88382%0.816SS**  trans152.184155.3-87.9177.1159.600111.1
23K33.6Very low31.5Very low205 Ų205155.1 Ų155.189%0.89181%0.81SS**  trans-178.871.8143.7-95.6155.1-166.4-172.70110.2
24Q34.4Very low31.4Very low195 Ų195157.1 Ų157.191%0.91182%0.816SS**  trans-76.9144.4136.5-77.1-178-18.200107.1
25S29.1Very low31.1Very low115 Ų115151 Ų15180%0.80481%0.806SS**  trans101.5127.3175.6-167.30000116.2
26A28.4Very low30.9Very low84 Ų84152.9 Ų152.969%0.69482%0.817SS**  trans81.6103167.600000117.1
27I30.5Very low30.6Very low155 Ų155157.1 Ų157.180%0.79583%0.826SS**  -178.8101.695.6-77.9149.1000107.2
28F26.9Very low30.4Very low212 Ų212158.2 Ų158.293%0.9383%0.828SS**  trans-108.7108.8155.5-126.6-84.3000104.6
29H30Very low30.2Very low171 Ų171158.1 Ų158.179%0.79283%0.83SS**  trans165.9132169.1-88.8-60.1000103.1
30D28.5Very low30Very low125 Ų125156.1 Ų156.167%0.66883%0.827SS**  cis-173.4129.113.2178.934.8000103.9
31W24.6Very low29.8Very low265 Ų265154.2 Ų154.2100%1.00483%0.826SS**  trans-156.2111.7141.8-12529.7000110.9
32K28.5Very low29.2Very low172 Ų172149.1 Ų149.175%0.74882%0.823SS**  trans-102.9123.7-174.2-176-179.3175.8178.20108.5
33V30.8Very low28.9Very low104 Ų104147.8 Ų147.863%0.6382%0.822SS**  trans66.9127.1133.7-177.30000120.1
34D29.6Very low28.7Very low173 Ų173145.3 Ų145.393%0.92582%0.818SS**  -142.2133.4121.1-76.9-43.1000105.7
35G26.1Very low28.6Very low60 Ų60142.9 Ų142.962%0.61981%0.811SS**  cis148107.39.400000107.5
36C25.8Very low28.5Very low139 Ų139146.7 Ų146.794%0.93981%0.813SS**  trans-167.1119.5146.3-112.80000111.4
37H25.8Very low28.6Very low186 Ų186148.1 Ų148.186%0.86182%0.818SS**  trans-76.2139.6173.8-75-98000110.9
38T30.2Very low28.5Very low145 Ų145149.1 Ų149.189%0.8982%0.819SS**  -153125.4125.548.50000109.6
39S29Very low28.5Very low120 Ų120146.1 Ų146.184%0.83981%0.811SS**  trans-72139.8177.146.50000113.5
40A28.2Very low28.3Very low93 Ų93146.3 Ų146.377%0.76981%0.813SS**  trans-156.5106.9150.700000111.4
41T31Very low28.3Very low146 Ų146145.5 Ų145.590%0.89681%0.812SS**  trans8.3138.2147.557.50000120.9
42G27.5Very low28.3Very low77 Ų77141.1 Ų141.179%0.79480%0.803SS**  trans140.610714400000114.9
43D28.8Very low28.1Very low161 Ų161141.4 Ų141.486%0.86180%0.804SS**  trans-66154.1-179.3-59.8-65.6000115.1
44D29.4Very low27.7Very low153 Ų153141 Ų14182%0.81881%0.806SS**  114.8138.2128.7-120.1-15.1000120.7
45L31.4Very low27.6Very low145 Ų145139.5 Ų139.576%0.75980%0.796SS**  trans87.183.7163.9-62.4160.7000120.7
46K27.9Very low27.5Very low195 Ų195142.5 Ų142.585%0.84880%0.803SS**  39.7106.8109.8-161.7-179.5-170.3-178.60117.8
47S30.2Very low27.6Very low113 Ų113144.1 Ų144.179%0.7980%0.796SS**  179.2132.9119.638.30000111.6
48Q28.3Very low27.6Very low176 Ų176140.2 Ų140.282%0.82279%0.79SS**  trans-65131.9175.1-69.4157.3-23.300110.2
49I26.9Very low27.5Very low150 Ų150138.8 Ų138.877%0.76978%0.783SS**  trans-12494.3150.3-61177.8000104.9V51I49-V51 HydrophobicContact CG2-CG2 4Å; I49-V51 PolarHBondContact O-N 3.29Å
50E26.4Very low27.4Very low175 Ų175137.5 Ų137.582%0.81878%0.78SS**  trans-67.2106.7160.7-74.2176.3165.200106.7E52E50-E52 PolarHBondContact O-N 2.95Å
51V27.3Very low27.5Very low107 Ų107139.2 Ų139.265%0.64878%0.78SS**  trans-81.695.6162.2-178.90000105.8I49 F53I49-V51 HydrophobicContact CG2-CG2 4Å; I49-V51 PolarHBondContact O-N 3.29Å; V51-F53 VanDerWaalsContact C-N 3.34Å; V51-F53 HydrophobicContact CG1-CD2 4.02Å; V51-F53 HydrophobicContact CG1-CE2 4.25Å; V51-F53 PolarHBondContact O-N 3.36Å
52E25.4Very low27.4Very low174 Ų174136.8 Ų136.881%0.81377%0.766SS**  trans-64.296.5168.5-157.3180-158.600107.8E50 S54E50-E52 PolarHBondContact O-N 2.95Å; E52-S54 VanDerWaalsContact C-N 3.33Å; E52-S54 PolarHBondContact O-N 3.26Å
53F23.9Very low27.6Very low178 Ų178142.7 Ų142.778%0.78176%0.764SS**  trans-69.895.6167.3-107.4-92.9000107.4V51 I55V51-F53 VanDerWaalsContact C-N 3.34Å; V51-F53 HydrophobicContact CG1-CD2 4.02Å; V51-F53 HydrophobicContact CG1-CE2 4.25Å; V51-F53 PolarHBondContact O-N 3.36Å; F53-I55 PolarHBondContact O-N 3.3Å
54S23.6Very low27.8Very low95 Ų95140.5 Ų140.566%0.66475%0.752SS**  trans-65.791.1159.7-70.40000108E52 V56E52-S54 VanDerWaalsContact C-N 3.33Å; E52-S54 PolarHBondContact O-N 3.26Å; S54-V56 VanDerWaalsContact C-N 3.27Å; S54-V56 PolarHBondContact O-N 3.41Å
55I25.6Very low28.2Very low141 Ų141138.6 Ų138.672%0.72374%0.738SS**  trans-67.496.8161.1-58.5174.3000105.1F53 E57F53-I55 PolarHBondContact O-N 3.3Å; I55-E57 VanDerWaalsContact C-N 3.25Å; I55-E57 PolarHBondContact O-N 3Å
56V25Very low28.5Very low124 Ų124139.1 Ų139.175%0.75274%0.742SS**  trans-65.399160.2177.20000105.3S54 S58S54-V56 VanDerWaalsContact C-N 3.27Å; S54-V56 PolarHBondContact O-N 3.41Å; V56-S58 PolarHBondContact O-N 3.41Å
57E26.8Very low29.1Very low172 Ų172135.1 Ų135.180%0.80473%0.73SS**  trans-52.8108.3163.3-75.8-175.1152.100107.4I55I55-E57 VanDerWaalsContact C-N 3.25Å; I55-E57 PolarHBondContact O-N 3Å
58S25.8Very low29.3Very low105 Ų105135.8 Ų135.873%0.73472%0.724SS**  trans-61.8125.4165.2-67.80000106.9V56 A60V56-S58 PolarHBondContact O-N 3.41Å; S58-A60 PolarHBondContact O-N 3.37Å; S58-A60 VanDerWaalsContact O-N 3.1Å
59P29.8Very low29.7Very low115 Ų115130.3 Ų130.375%0.74771%0.714SS**  trans-64.1122.6177.525-30.7000107.8V61P59-V61 PolarHBondContact O-N 3.19Å
60A25.3Very low30.2Very low92 Ų92132.7 Ų132.776%0.7672%0.719SS**  trans-44.8108.3174.300000109.6S58 T62S58-A60 PolarHBondContact O-N 3.37Å; S58-A60 VanDerWaalsContact O-N 3.1Å; A60-T62 PolarHBondContact O-N 3.26Å
61V30.6Very low30.8Very low129 Ų129129.3 Ų129.378%0.78270%0.702SS**  trans-69.1100170.8176.60000105.8P59 R63P59-V61 PolarHBondContact O-N 3.19Å; V61-R63 PolarHBondContact O-N 3.42Å
62T29.8Very low31.2Very low96 Ų96131.8 Ų131.859%0.58971%0.711SS**  trans-60.7105.8166.4550000107A60 D64A60-T62 PolarHBondContact O-N 3.26Å; T62-D64 PolarHBondContact O-N 2.98Å
63R32Very low32.1Very low200 Ų200126.2 Ų126.276%0.75569%0.687SS**  trans-65.199.3168.7-75.7175.861.1125.30107.6V61 E65V61-R63 PolarHBondContact O-N 3.42Å; R63-E65 IonicContact CZ-OE1 3.53Å; R63-E65 IonicContact NE-OE1 3.32Å; R63-E65 PolarHBondContact NE-OE1 3.2Å; R63-E65 IonicContact NH2-OE1 2.84Å; R63-E65 PolarHBondContact NH2-OE1 2.94Å; R63-E65 PolarHBondContact O-N 2.91Å
64D31.6Very low33.1Very low116 Ų116120.8 Ų120.862%0.6267%0.666SS**  trans-85.4101.7169.5-71.2-41.7000108T62 D66T62-D64 PolarHBondContact O-N 2.98Å; D64-D66 PolarHBondContact O-N 2.94Å
65E38.4Very low33.9Very low112 Ų112123.7 Ų123.752%0.52367%0.669SS.*THydrogen-bonded Turntrans-71.748.3-176.7-69.9-78.814400113.5R63R63-E65 IonicContact CZ-OE1 3.53Å; R63-E65 IonicContact NE-OE1 3.32Å; R63-E65 PolarHBondContact NE-OE1 3.2Å; R63-E65 IonicContact NH2-OE1 2.84Å; R63-E65 PolarHBondContact NH2-OE1 2.94Å; R63-E65 PolarHBondContact O-N 2.91Å
66D37.4Very low34.2Very low157 Ų157125.8 Ų125.884%0.8467%0.673SS**THydrogen-bonded Turntrans-138.83.9179-85.9-42.9000115.2D64 L68D64-D66 PolarHBondContact O-N 2.94Å; D66-L68 VanDerWaalsContact C-N 3.28Å
67D40.5Very low35Very low111 Ų111122.4 Ų122.459%0.59465%0.65SS**  trans-87.47171.2-92-17.2000113.2G69 F71D67-G69 PolarHBondContact O-N 3.16Å; D67-F71 VanDerWaalsContact O-CE2 3.32Å; D67-F71 WeakPolarHBondContact O-CE2 3.45Å
68L35.6Very low35.5Very low126 Ų126120.5 Ų120.566%0.6664%0.644SS**  trans-74.669.7175.1-70.5173000111.6D66 F71D66-L68 VanDerWaalsContact C-N 3.28Å; L68-F71 HydrophobicContact CD2-CB 4.36Å; L68-F71 HydrophobicContact CD2-CD2 3.75Å; L68-F71 HydrophobicContact CD2-CE2 4.21Å; L68-F71 HydrophobicContact CD2-CG 4.09Å
69G35.4Very low35.7Very low61 Ų61119.9 Ų119.963%0.62964%0.64SS**SBendtrans-151.836.7174.200000112.4D67D67-G69 PolarHBondContact O-N 3.16Å
70K38.9Very low35.8Very low200 Ų200121.9 Ų121.987%0.8765%0.645SS**SBendtrans173.154.2164.1-91.3150.9-166.7-173.60110.3
71F37.9Very low36.3Very low104 Ų104123.8 Ų123.846%0.45665%0.647SS.*  trans-104.886.2175.3-88.1-94.3000109.8D67 L68 L74D67-F71 VanDerWaalsContact O-CE2 3.32Å; D67-F71 WeakPolarHBondContact O-CE2 3.45Å; L68-F71 HydrophobicContact CD2-CB 4.36Å; L68-F71 HydrophobicContact CD2-CD2 3.75Å; L68-F71 HydrophobicContact CD2-CE2 4.21Å; L68-F71 HydrophobicContact CD2-CG 4.09Å; F71-L74 HydrophobicContact CD1-CB 4.22Å; F71-L74 HydrophobicContact CD1-CD1 4.21Å; F71-L74 HydrophobicContact CE1-CB 4.21Å; F71-L74 HydrophobicContact CE1-CD1 3.61Å; F71-L74 HydrophobicContact CZ-CD1 4.05Å
72L35.3Very low36.2Very low159 Ų159125.4 Ų125.483%0.83265%0.65SS**SBendtrans-134.6-10.4158.7-71178000112.7
73D44.8Very low36.1Very low57 Ų57124.7 Ų124.731%0.30566%0.661SS.*SBendtrans-103.1-14.2-175.4-78.5-0.7000114.6R398D73-R398 IonicContact OD2-CZ 3.79Å; D73-R398 IonicContact OD2-NH2 2.72Å; D73-R398 PolarHBondContact OD2-NH2 2.92Å
74L45.3Very low35.9Very low65 Ų65120 Ų12034%0.3466%0.659SS.*SBendtrans-85.4-37.7-174-96.5160000113F71 F76 I77F71-L74 HydrophobicContact CD1-CB 4.22Å; F71-L74 HydrophobicContact CD1-CD1 4.21Å; F71-L74 HydrophobicContact CE1-CB 4.21Å; F71-L74 HydrophobicContact CE1-CD1 3.61Å; F71-L74 HydrophobicContact CZ-CD1 4.05Å; L74-F76 VanDerWaalsContact C-N 3.32Å; L74-F76 PolarHBondContact O-N 3.45Å; L74-I77 PolarHBondContact O-N 3.12Å
75E40.7Very low35.8Very low156 Ų156123.9 Ų123.973%0.72967%0.674SS**THydrogen-bonded Turntrans-65.8-33.3179.4-71.1-87132.800112.3I77 S79E75-I77 VanDerWaalsContact C-N 3.34Å; E75-I77 PolarHBondContact O-N 2.9Å; E75-S79 PolarHBondContact O-OG 3.41Å
76F32Very low35.3Very low184 Ų184124.3 Ų124.381%0.80769%0.689SS**THydrogen-bonded Turntrans-73.3-22.2-178-168.8-101.8000113.6L74L74-F76 VanDerWaalsContact C-N 3.32Å; L74-F76 PolarHBondContact O-N 3.45Å
77I41.1Very low34.8Very low54 Ų54120.6 Ų120.628%0.27769%0.688SS.*THydrogen-bonded Turntrans-94.2-19.6-174.6-59.3179.8000112.2L74 E75 Y397L74-I77 PolarHBondContact O-N 3.12Å; E75-I77 VanDerWaalsContact C-N 3.34Å; E75-I77 PolarHBondContact O-N 2.9Å; I77-Y397 HydrophobicContact CG2-CD1 4.06Å; I77-Y397 HydrophobicContact CG2-CE1 4.33Å
78L36.2Very low34.3Very low131 Ų131121 Ų12169%0.68669%0.694SS**SBendtrans-91-0.8-178.7-72.4169.3000114.7N80L78-N80 PolarHBondContact O-N 3.42Å
79S31Very low33.9Very low93 Ų93121 Ų12165%0.6570%0.695SS**  trans-88.710.7-170.5-63.50000116.3E75E75-S79 PolarHBondContact O-OG 3.41Å
80N32.3Very low33.5Very low157 Ų157124.7 Ų124.784%0.8470%0.7SS**  trans-126.967.6-179.3-84.3-23.3000113.1L78L78-N80 PolarHBondContact O-N 3.42Å
81T36.2Very low33Very low131 Ų131123 Ų12380%0.80470%0.701SS**  trans-158.873.7153.848.20000110.1
82I28.5Very low32.5Very low164 Ų164126.1 Ų126.184%0.84172%0.722SS**  trans-132.8100.3153.6-59.2179.8000105.9
83G27.5Very low32.1Very low80 Ų80123.6 Ų123.683%0.82572%0.717SS**  trans-78.712717000000109.5
84S28.1Very low31.2Very low102 Ų102125.3 Ų125.371%0.71373%0.733SS**  trans-153.2105.8160.256.30000107.3
85E28.7Very low30.5Very low198 Ų198130.6 Ų130.693%0.92576%0.756SS**  trans-149.4109.8139.7-70-155.4161.700109.7
86S27.6Very low29.9Very low120 Ų120132 Ų13284%0.83976%0.763SS**  trans-66.4125160.745.20000110.8
87G26.8Very low29.6Very low80 Ų80127 Ų12783%0.82576%0.756SS**  trans-117.9119.6165.500000109.8
88T30.2Very low28.9Very low118 Ų118134.7 Ų134.772%0.72478%0.783SS**  trans-93.2155-177.548.60000112.3
89N26.7Very low28.4Very low128 Ų128133.3 Ų133.368%0.68478%0.784SS**  trans93.5105.1149.5-59.3-34.1000120.8
90N28.4Very low28.1Very low137 Ų137139.4 Ų139.473%0.73379%0.794SS**  65.9105121.9-55.7-25000119.5
91N26.7Very low27.9Very low166 Ų166137.7 Ų137.789%0.88880%0.795SS**  -149118.2121.2-113.7-50.9000111
92L28.3Very low27.6Very low169 Ų169139.6 Ų139.689%0.88580%0.799SS**  trans-79.8130.3163.2-120.679.4000107.3
93S26.2Very low28.1Very low106 Ų106136.8 Ų136.874%0.74179%0.792SS**  176.1132124.3-168.40000112.1
94S27.1Very low28.1Very low92 Ų92142.6 Ų142.664%0.64380%0.797SS**  trans72.399.5150.7-59.10000117.4
95Q29.4Very low28.2Very low177 Ų177143 Ų14383%0.82780%0.8SS**  98.814775.8-91.7-173.65.300111.6
96Q28.6Very low28.9Very low185 Ų185138.3 Ų138.386%0.86479%0.787SS**  trans87.196.7177-54.5177.8-000113.7
97A25.3Very low29Very low79 Ų79141.3 Ų141.365%0.65379%0.787SS**  75.1133.457.600000114.5
98Y26.1Very low29.1Very low215 Ų215143 Ų14384%0.84379%0.787SS**  trans85.9101.7172.9-55.7-73.3000115.6
99S26Very low28.8Very low103 Ų103143 Ų14372%0.7279%0.79SS**  89122.56371.40000113.7
100Y25.6Very low28.9Very low221 Ų221141.9 Ų141.987%0.86779%0.793SS**  trans-40.5149.1172.2-73.4-97.3000115.8
101S27.3Very low29Very low121 Ų121142.2 Ų142.285%0.84680%0.8SS**  179.5147.7104-72.70000113.9
102L29.7Very low29Very low170 Ų170137.4 Ų137.489%0.8979%0.79SS**  trans-70.3172.2172.5-98.6126.1000112.8
103P40.2Very low29.2Very low106 Ų106137.3 Ų137.369%0.68878%0.784SS**  trans-97.6152.7-155.237.7-34000114.2
104E26.5Very low29.4Very low201 Ų201138.8 Ų138.894%0.93978%0.784SS**  trans-137.1132155-72.4-172.715400109.6
105S30.1Very low29.8Very low111 Ų111138.2 Ų138.278%0.77678%0.78SS**  trans-102.3165.1160.2-150.60000105.4
106P44.8Very low29.8Very low100 Ų100137.3 Ų137.365%0.64978%0.78SS**  cis-156.617937.941.4-16.8000118.6
107E29.2Very low29.9Very low182 Ų182132 Ų13285%0.8578%0.776SS**  trans65.7143.5159.2-34.1-163.8155.600117.4
108S28.4Very low30.2Very low115 Ų115132.6 Ų132.680%0.80478%0.775SS**  cis-169.1169.531.548.60000110.6
109C24.2Very low30.4Very low119 Ų119129.7 Ų129.780%0.80477%0.769SS**  trans-44.4153.4-176.8-58.50000118.5
110S28.4Very low30.6Very low105 Ų105133.5 Ų133.573%0.73477%0.773SS**  170.4128.9109.9-66.80000112.8
111T30.6Very low30.9Very low144 Ų144128.7 Ų128.788%0.88377%0.767SS**  trans38132.2139630000119.2
112G27.5Very low32Very low65 Ų65127.6 Ų127.667%0.6776%0.757SS**  cis140.9162.829.400000108.2
113H31.8Very low32.2Very low167 Ų167126.9 Ų126.977%0.77375%0.754SS**  trans78.2109.2170.3-70.6-86.1000117.1
114D30.4Very low31.8Very low136 Ų136125.4 Ų125.473%0.72775%0.751SS**  89.6142.984.8-78.43.2000109.9
115S35.5Very low31.9Very low81 Ų81126.9 Ų126.957%0.56675%0.749SS**  cis-172.4162.8-5.7-78.30000106
116D30.4Very low31.9Very low157 Ų157124.8 Ų124.884%0.8475%0.746SS**  trans65.4117.7152.5-57.8-31000118.3
117G29.7Very low31.2Very low75 Ų75125.6 Ų125.677%0.77375%0.753SS**  98.7138.876.100000107.5
118S32.1Very low31.3Very low90 Ų90122.5 Ų122.563%0.62975%0.752SS**  cis-173.4144.926.7-173.30000107.5
119Q31Very low31.4Very low154 Ų154124.1 Ų124.172%0.7275%0.752SS**  trans41.7125.2141.7-57.1164.432.500120.8
120F29.9Very low31.7Very low183 Ų183128 Ų12880%0.80376%0.755SS**  168.1130.3100.7-107.5-89000110.3
121T32.2Very low31.7Very low120 Ų120129.5 Ų129.574%0.73676%0.755SS**  trans-75.2-166.7165.361.60000110
122P50.1Low31.6Very low98 Ų98129.8 Ų129.864%0.63676%0.757SS**  cis-139.8178.5-1037.2-17.7000115.2
123N33.3Very low31.8Very low156 Ų156131.8 Ų131.883%0.83476%0.761SS**  trans61.4153.5142.8-79.2-5.6000118
124A32Very low33Very low74 Ų74129.9 Ų129.961%0.61276%0.763SS**  cis179151.123.800000109
125Y29Very low32.9Very low232 Ų232126.6 Ų126.691%0.9176%0.762SS**  trans76.3141.2136.5-80.3-111.8000124
126G28.8Very low32.8Very low68 Ų68132.2 Ų132.270%0.70178%0.778SS**  trans117.193.5154.100000113
127S30.9Very low32.8Very low116 Ų116129.2 Ų129.281%0.81177%0.77SS**  66108.954.7-60.70000116.2
128S31.5Very low32.9Very low118 Ų118134 Ų13483%0.82578%0.776SS**  trans167.3116.513844.60000106.8
129N31.2Very low32.9Very low149 Ų149136.1 Ų136.180%0.79779%0.786SS**  cis59108.646.4-84.6-2.8000115.9
130F29.2Very low32.9Very low199 Ų199134.1 Ų134.187%0.87380%0.795SS**  trans-167.3103.2135.7-96.7-77.3000107.4
131N29Very low32.9Very low137 Ų137133.7 Ų133.773%0.73380%0.796SS**  58.8111.288.4-80.9-19.1000116.1
132T28.8Very low32.7Very low150 Ų150134.7 Ų134.792%0.9280%0.796SS**  -170.7149.5110.12.30000112.7
133S30.2Very low31.7Very low108 Ų108137.4 Ų137.476%0.75580%0.804SS**  trans-131.8-167.2179.2-122.50000106.7
134P56.9Low31.7Very low126 Ų126135.6 Ų135.682%0.81880%0.799SS**  cis-140.6-170.7-44.738-18.8000113.6
135G29.8Very low32Very low68 Ų68138.2 Ų138.270%0.70181%0.809SS**  trans126.8146.7155.700000114.7
136H32.9Very low32Very low198 Ų198135 Ų13592%0.91780%0.803SS**  cis-165.5163.65.8-129.5-103.6000110
137S31.1Very low32Very low94 Ų94140.9 Ų140.966%0.65782%0.815SS**  trans-70.9154.1-178.7176.60000116.3
138L31.1Very low31.9Very low175 Ų175141.5 Ų141.592%0.91681%0.809SS**  trans-150.4141.2145.4-77.8-174.8000112.9
139V33Very low31.6Very low136 Ų136144.2 Ų144.282%0.82481%0.806SS**  trans-100.2151.4173.2-88.60000110.8
140A29.3Very low31.4Very low111 Ų111144.7 Ų144.792%0.91780%0.803SS**  trans-164.9156.7152.100000111.9
141E30.6Very low31.5Very low175 Ų175139.9 Ų139.982%0.81879%0.794SS**  trans-119.1178.6-151.2-163.8178.7167.100111.1
142L28.1Very low31.5Very low141 Ų141141.5 Ų141.574%0.73880%0.803SS**  trans87.9132.7162.4-56.6177.3000116.8
143L29.5Very low31.6Very low154 Ų154139.1 Ų139.181%0.80679%0.792SS**  cis-159.9154.517.1-96.6142.2000110.8
144T32.2Very low31.6Very low119 Ų119141.3 Ų141.373%0.7380%0.795SS**  trans-80.1172.5166.5500000112.2
145P38.3Very low30.3Very low128 Ų128143.5 Ų143.583%0.83180%0.799SS**  -140145.3113.834.6-20.3000115.3
146E30Very low30.2Very low164 Ų164146.2 Ų146.277%0.76680%0.797SS**  trans-79.6152.6166.3-63.3-174.9140.300111.7
147M28.8Very low30Very low193 Ų193147 Ų14795%0.95179%0.794SS**  trans-136.6114.2157.6-72.3-90.1-8300108.4
148N28.4Very low30Very low128 Ų128147.5 Ų147.568%0.68480%0.797SS**  trans-108.5167.6169.7-101.6-36.1000109.6
149F25.6Very low29.9Very low176 Ų176146.2 Ų146.277%0.77279%0.79SS**  trans102.3140.2164.2-67.9-60.6000116.7
150H27.5Very low29.8Very low158 Ų158148.8 Ų148.873%0.73179%0.79SS**  cis-156.3153.45-110.9107.1000107.8
151S30.3Very low30Very low99 Ų99152.4 Ų152.469%0.69279%0.788SS**  trans-89.7140.9166.752.30000111.3
152D29.1Very low30.1Very low171 Ų171150 Ų15091%0.91479%0.787SS**  trans-159.2160.6152.1-103.3-29.7000113.1
153S31.5Very low30.1Very low99 Ų99147.4 Ų147.469%0.69279%0.787SS**  trans-109158.1-147.5-149.70000114.9
154L29.3Very low30.2Very low155 Ų155146.2 Ų146.281%0.81279%0.786SS**  trans61.9127.2154.9-67.9165.8000120.6
155L30.2Very low30Very low172 Ų172147.9 Ų147.990%0.90179%0.79SS**  -158.7140.9116.3-97178.2000112.2
156D27.9Very low29.6Very low124 Ų124153.2 Ų153.266%0.66379%0.794SS**  trans-73.5135.2-179.8179.820.9000111.9
157Y29.2Very low30Very low216 Ų216150.5 Ų150.585%0.84779%0.79SS**  trans-150.695.2157.2-105.1-78.8000110.4
158S29.3Very low30Very low103 Ų103149.8 Ų149.872%0.7279%0.785SS**  trans-68.5129.1157.5-81.10000111
159L30.1Very low30.1Very low148 Ų148153.4 Ų153.478%0.77579%0.79SS**  trans-153.5101.7154.4-103.8165000112.2
160K31.2Very low30.5Very low191 Ų191151.6 Ų151.683%0.8379%0.794SS**  trans34.4117.7141.6-74.2174.1175.5177.70120.3
161Q32.8Very low30.8Very low186 Ų186152 Ų15287%0.86980%0.796SS**  trans-66156.4147-64.9-168.8-34.700111.4
162P32.5Very low30.8Very low124 Ų124156 Ų15681%0.80581%0.808SS**  trans-122137.113419.7-2.4000111.8
163A28.5Very low31Very low88 Ų88159.3 Ų159.373%0.72781%0.808SS**  trans-76.5139.6163.700000110
164T30.7Very low31Very low128 Ų128158.7 Ų158.779%0.78581%0.809SS**  trans-164.7125.5145.642.90000110.5
165D28Very low31.1Very low154 Ų154158.8 Ų158.882%0.82481%0.81SS**  trans60.9119.4139.2-60.4-32000122.9
166R30.1Very low31.1Very low240 Ų240158.6 Ų158.691%0.90681%0.81SS**  trans-83.3136.1154.5-160-165.9177.4-179.5-0.6107.2
167P39.6Very low31.4Very low107 Ų107158.3 Ų158.370%0.69581%0.813SS**  -139.8179.591.837.4-19.5000108.5
168E28.8Very low31.4Very low178 Ų178152.8 Ų152.883%0.83281%0.812SS**  cis-166.5164.115.5-143166.5-169.200106.2
169Y31Very low31.6Very low205 Ų205154.2 Ų154.280%0.80482%0.816SS**  trans-80.4123.1-177.5-171.6-92.7000110.6
170T32.6Very low31.6Very low138 Ų138152.2 Ų152.285%0.84782%0.821SS**  trans-146.4132.8159.133.70000111.5
171E34.3Very low31.7Very low167 Ų167149 Ų14978%0.7882%0.817SS**  trans-64.6135176.6-61.2176.4135.100111.5
172L31Very low31.5Very low181 Ų181145.1 Ų145.195%0.94882%0.817SS**  trans-136.4105.6155.5-88.4169.3000109.8
173R32.3Very low31.4Very low241 Ų241144.9 Ų144.991%0.90981%0.813SS**  trans-90.3132.4170.6-156.6177.4-171.2173.11.9108.2
174A31.4Very low31.3Very low87 Ų87149 Ų14972%0.71982%0.817SS**  trans76.6114.5159.100000119.3
175L31.6Very low31.1Very low156 Ų156151 Ų15182%0.81782%0.815SS**  -151.2108.2121.9-136.586.3000110.4T177L175-T177 HydrophobicContact CD2-CG2 4.49Å
176N29.7Very low31.1Very low168 Ų168151.2 Ų151.290%0.89881%0.811SS**  trans-75.8115.2160.6-83.7-23.3000107.7
177T33.8Very low31.2Very low119 Ų119146.5 Ų146.573%0.7380%0.803SS**  trans-140.5126.4153.441.30000109L175L175-T177 HydrophobicContact CD2-CG2 4.49Å
178A30.2Very low30.8Very low100 Ų100147 Ų14783%0.82681%0.805SS**  trans-70.5136.6-175.300000111.8
179T32.5Very low30.7Very low133 Ų133146 Ų14682%0.81681%0.805SS**  trans-147.1110.1144.632.30000108.6T181T179-T181 PolarHBondContact O-N 3.43Å
180A31.6Very low30.6Very low105 Ų105141.1 Ų141.187%0.86880%0.801SS**  trans-70.3115.4170.700000108.9
181T32.2Very low30.5Very low123 Ų123143.7 Ų143.776%0.75580%0.803SS**  trans-134.1110.9158.125.60000107.6T179 V183T179-T181 PolarHBondContact O-N 3.43Å; T181-V183 PolarHBondContact O-N 3.29Å
182A28.8Very low30.2Very low106 Ų106144.6 Ų144.688%0.87681%0.807SS**  trans-68.4113.4173.900000108.7
183V30Very low30.2Very low118 Ų118143.9 Ų143.972%0.71580%0.8SS**  trans-115.6106.4162.8-179.90000106.4T181 F185T181-V183 PolarHBondContact O-N 3.29Å; V183-F185 PolarHBondContact O-N 3.43Å
184H27.5Very low29.9Very low174 Ų174135.9 Ų135.981%0.80679%0.793SS**  trans-53.8120.5164.3-112.5-103.8000108.3
185F26Very low29.8Very low171 Ų171141.8 Ų141.875%0.7580%0.798SS**  trans-121.696.7165.9-137.8-90.6000107.3V183 L187V183-F185 PolarHBondContact O-N 3.43Å; F185-L187 HydrophobicContact CD1-CD2 4.39Å; F185-L187 HydrophobicContact CD1-CG 4.48Å; F185-L187 PolarHBondContact O-N 3.41Å
186E28.9Very low29.6Very low158 Ų158144.2 Ų144.274%0.73880%0.802SS**  trans-69.3112.2167.4-71.2-175161.600108.2
187L30.7Very low29.6Very low141 Ų141143.2 Ų143.274%0.73880%0.795SS**  trans-89.898166.6-77.1167.4000108.3F185 N189F185-L187 HydrophobicContact CD1-CD2 4.39Å; F185-L187 HydrophobicContact CD1-CG 4.48Å; F185-L187 PolarHBondContact O-N 3.41Å; L187-N189 PolarHBondContact O-N 3.31Å
188T31.4Very low29.4Very low119 Ų119146.7 Ų146.773%0.7380%0.8SS**  trans-70.4100.9162.251.90000109
189N27.8Very low29.4Very low156 Ų156147.4 Ų147.483%0.83480%0.795SS**  trans-110.390.2162.9-95.8-19.2000109.1L187L187-N189 PolarHBondContact O-N 3.31Å
190S28.4Very low29.4Very low102 Ų102150 Ų15071%0.71380%0.797SS**  trans-92.291.3170.137.30000109.8
191H30.5Very low29.3Very low193 Ų193150.8 Ų150.889%0.89479%0.791SS**  trans-111.389.5158.5-93.8-162.1000108.8M193H191-M193 PolarHBondContact O-N 2.83Å
192H28.4Very low29.2Very low186 Ų186151.7 Ų151.786%0.86180%0.797SS**  trans-72.9111.5167.4-120.1-70.6000108.6
193M30.4Very low29.3Very low165 Ų165155 Ų15581%0.81379%0.794SS**  trans-107.4108.6160-84.1-75.5-165.600107.4H191H191-M193 PolarHBondContact O-N 2.83Å
194G25.7Very low29.5Very low73 Ų73157.7 Ų157.775%0.75380%0.799SS**  trans-72.6128.2-177.200000112.4
195Y30.1Very low29.4Very low211 Ų211155 Ų15583%0.82780%0.8SS**  trans-93.8117.2165.6-65.1-84.7000108.8I197Y195-I197 PolarHBondContact O-N 3.1Å
196K27.1Very low29.6Very low208 Ų208152.1 Ų152.190%0.90480%0.8SS**  trans-78.3108.1167.2-99.1179.7175.9175.70108.6
197I30.6Very low29.5Very low147 Ų147153.2 Ų153.275%0.75481%0.807SS**  trans-84.9119.3163-57.6172.9000106.5Y195 T199Y195-I197 PolarHBondContact O-N 3.1Å; I197-T199 HydrophobicContact CG2-CG2 4.13Å
198K28.6Very low29.6Very low192 Ų192155.5 Ų155.584%0.83582%0.816SS**  trans-90.8108.7164.7-78.8-175.3177.4-177.50107.7
199T30.3Very low29.6Very low115 Ų115154.9 Ų154.971%0.70682%0.823SS**  trans-88.2116.2163.749.40000107.9I197I197-T199 HydrophobicContact CG2-CG2 4.13Å
200E31.4Very low29.6Very low186 Ų186151.1 Ų151.187%0.86982%0.821SS**  trans-90.1108.3164.5-78.2-178.8177.900108.5
201T30.4Very low29.7Very low122 Ų122154 Ų15475%0.74883%0.828SS**  trans-85.3127.1164.444.10000108.9
202T30.8Very low29.6Very low142 Ų142153.6 Ų153.687%0.87182%0.824SS**  trans-135.6118.6153.434.70000109
203E30.9Very low30Very low176 Ų176151.7 Ų151.782%0.82282%0.818SS**  trans-84.9135.1175.7-74.1-179148.200111.3
204Q34.6Very low29.9Very low175 Ų175146.8 Ų146.882%0.81881%0.81SS**  trans48125.4135.7-68.4176.3-15.100122.1
205S24.5Very low30.2Very low117 Ų117151.1 Ų151.182%0.81881%0.81SS**  -152127.1123.6-171.40000111
206C29.3Very low30.2Very low111 Ų111146.3 Ų146.375%0.7580%0.803SS**  trans-80.5140.7173.8-62.50000111.5
207M27.9Very low30.4Very low181 Ų181145.8 Ų145.889%0.89280%0.796SS**  trans-153.1115.6144.2-71.6-158.3-177.500111.2
208M33Very low30.4Very low188 Ų188143.7 Ų143.793%0.92678%0.783SS**  trans36.5142.6142.2-52.6-61.5-90.300124.3
209A31.6Very low30.7Very low107 Ų107143.5 Ų143.588%0.88479%0.786SS**  trans-43157.517500000119.8
210G27.3Very low31Very low76 Ų76146.5 Ų146.578%0.78479%0.789SS**  trans170.2124.6160.200000113.7
211D30.9Very low31.1Very low162 Ų162145.9 Ų145.987%0.86679%0.786SS**  trans-70.3164.6-170.5-61.8-65.7000117.7
212F27.4Very low31.1Very low185 Ų185148 Ų14881%0.81179%0.789SS**  trans88.7114.6137.3-124.2-117000122.4
213M38.1Very low31.2Very low146 Ų146153.1 Ų153.172%0.71979%0.792SS**  trans63.5125.7137.6-75.7-86.8-89.700122.4
214G27.4Very low31.1Very low63 Ų63149.9 Ų149.965%0.64979%0.789SS**  trans157.389145.300000115.9
215H31.3Very low31Very low164 Ų164150.5 Ų150.576%0.75979%0.794SS**  trans38.9140.3138.3-62.9-83000120.8
216T31.4Very low31.4Very low110 Ų110152.7 Ų152.768%0.67579%0.791SS**  cis175.71563.926.70000106.4
217Y30.2Very low31.5Very low196 Ų196153.4 Ų153.477%0.76979%0.792SS**  trans72.6139.8143.9-112.1-140.6000119.4
218E31.9Very low31.7Very low103 Ų103149.9 Ų149.948%0.48179%0.793SS.*  cis-161.6128.316.1-158.5178-164.800110.7K220E218-K220 WeakPolarHBondContact OE2-CE 3.2Å; E218-K220 IonicContact OE2-NZ 3.78Å
219Q33.8Very low31.5Very low189 Ų189150.1 Ų150.188%0.88379%0.789SS**  trans-83.8128.3158.9-81175.9-14.300108.2
220K37.6Very low31.6Very low177 Ų177149.9 Ų149.977%0.7779%0.786SS**  trans-101.2111.9168.5-85.5179.5179.1168.30111.4E218E218-K220 WeakPolarHBondContact OE2-CE 3.2Å; E218-K220 IonicContact OE2-NZ 3.78Å
221H32.2Very low32Very low173 Ų173153 Ų15380%0.80178%0.78SS**  trans-91.6148.9169.7-141.886.3000109.9
222M31.4Very low32.1Very low166 Ų166154.3 Ų154.382%0.81878%0.781SS**  trans-57.6140.6175.1-70.3176.8-84.500113
223R33.3Very low32.6Very low250 Ų250152.2 Ų152.294%0.94377%0.774SS**  trans-148.9136.1147.9-95.2-177.9-174.6172.60.3113
224S28.4Very low32.3Very low109 Ų109153 Ų15376%0.76278%0.775SS**  trans-65.9147.2174.8-167.80000112.3
225M32.3Very low32.5Very low187 Ų187155.8 Ų155.892%0.92178%0.78SS**  trans-121.2112.3172.2-78.9-88.6-108.300109.7
226H31.8Very low32.4Very low163 Ų163152 Ų15276%0.75578%0.777SS**  trans-99.2134.4166-114.9-105.7000108.9
227T33.1Very low32.4Very low126 Ų126156 Ų15677%0.77379%0.787SS**  trans53.1120.3149.632.60000121.1
228A30.4Very low32.3Very low108 Ų108149.6 Ų149.689%0.89378%0.782SS**  trans-152.8126.1132.900000111.5
229F29.5Very low32.2Very low193 Ų193155.1 Ų155.185%0.84680%0.804SS**  trans-73.9140.3171.1-123.2-104.3000109.9
230A34.6Very low31.9Very low101 Ų101150 Ų15084%0.83579%0.794SS**  trans-152.2121.3153.700000111.2
231H34.9Very low31.5Very low142 Ų142146.8 Ų146.866%0.65779%0.794SS**  trans-54.3140.8170.7-106.3-117.9000112.9
232H33.5Very low31.5Very low189 Ų189147.5 Ų147.588%0.87580%0.798SS**  trans-156.4119.6133-120.2-77.8000110.7
233Q36.8Very low31.5Very low141 Ų141146.2 Ų146.266%0.65979%0.794SS**  trans-80.2149.2166.4-64.3178.12.500108.8
234H33Very low31.4Very low164 Ų164142.4 Ų142.476%0.75979%0.789SS**  179.8121.5122.9-98.1-69.8000112.5
235T30.8Very low31.5Very low120 Ų120144.2 Ų144.274%0.73679%0.785SS**  trans56106.814034.80000122.3
236A29.8Very low31.5Very low85 Ų85143.7 Ų143.770%0.70278%0.78SS**  38122.811800000120
237H31.3Very low31.4Very low193 Ų193140.6 Ų140.689%0.89478%0.777SS**  -159.9122.4123.4-95.8-74000108.5
238G28.5Very low31.2Very low63 Ų63140.5 Ų140.565%0.64978%0.776SS**  trans-80.5163170.600000111.6
239F28.2Very low31Very low218 Ų218140.3 Ų140.396%0.95677%0.769SS**  trans-162.1145.4138.7-100.8-72.5000109.4
240A29.2Very low31.1Very low81 Ų81141.7 Ų141.767%0.66977%0.768SS**  trans-86.7158.4-168.900000113.6
241S29.2Very low30.9Very low110 Ų110144.3 Ų144.377%0.76977%0.768SS**  trans56.8122.7142.3-60.60000120.9
242H31.4Very low30.7Very low189 Ų189140.3 Ų140.388%0.87577%0.765SS**  -152.9123.7121.1-132.5-81.8000112.5
243D30.9Very low30.7Very low139 Ų139140.8 Ų140.874%0.74377%0.77SS**  trans-65.6145.3161.6-104.1-61.2000111.1
244M31.4Very low30.5Very low170 Ų170137.6 Ų137.684%0.83778%0.775SS**  trans-164.592.7138.9-16493.59800111.2
245Q30.4Very low30.6Very low147 Ų147140.4 Ų140.469%0.68778%0.779SS**  21.2150.4129.6-65.2168.7-9.200122.9
246Q32.1Very low30.8Very low175 Ų175144.8 Ų144.882%0.81879%0.788SS**  trans106.4131.9153.3-59.2-172.913.800114.9
247S30.4Very low30.9Very low98 Ų98147.3 Ų147.369%0.68579%0.789SS**  cis-169.8132.60.836.90000110.4
248V28.1Very low31Very low125 Ų125144.5 Ų144.576%0.75879%0.79SS**  43.4119.4129.3-153.70000121.1
249S27.5Very low31.1Very low104 Ų104150.1 Ų150.173%0.72780%0.799SS**  170.6113.7113.1-73.70000110
250R31.6Very low31.3Very low222 Ų222146.7 Ų146.784%0.83879%0.79SS**  66.6123.993.4-88.3-175.4174.2176.2-2.9111.6
251D29.7Very low31.3Very low156 Ų156147.9 Ų147.983%0.83480%0.8SS**  cis-150.5164.837.1-66.9-57.2000109.3
252G30.8Very low31.4Very low57 Ų57151.1 Ų151.159%0.58880%0.803SS**  cis158.3139.69.900000108.5
253M34.5Very low31.6Very low199 Ų199150.4 Ų150.498%0.9880%0.804SS**  trans61135.4165.3-73.291.417300119.3
254G31.9Very low31.6Very low75 Ų75148.6 Ų148.677%0.77380%0.802SS**  cis-170.1149.11300000112.2
255R34.2Very low31.6Very low223 Ų223145.2 Ų145.284%0.84280%0.795SS**  trans-70.7149.1177.8-61174.6-177.9175.8-1.9111.5
256K36.3Very low31.7Very low212 Ų212146.5 Ų146.592%0.92280%0.801SS**  trans-143.2111136.6-71.5-166.6-179.6177.30109
257D32.2Very low31.8Very low137 Ų137147.2 Ų147.273%0.73380%0.803SS**  trans-77.7140.1166.5-57.8-59.8000109.1
258C32.8Very low32Very low135 Ų135149.7 Ų149.791%0.91280%0.804SS**  trans-142.9145158.1-83.10000109.9
259H31.1Very low32.2Very low181 Ų181152 Ų15284%0.83881%0.806SS**  trans-67.6148.1-157.4-85.2-76.9000118.5
260L31.2Very low32.4Very low146 Ų146151.1 Ų151.176%0.76480%0.8SS**  trans-0.3131.6136.8-72.8159.4000118.8
261A30.7Very low32.5Very low105 Ų105148.3 Ų148.387%0.86880%0.796SS**  trans-153.4114.1132.300000109.9
262E29.5Very low32.8Very low179 Ų179149 Ų14984%0.83680%0.797SS**  trans-79.4136.9166.4-70.5174.1140.400109.9
263I35.7Very low32.8Very low174 Ų174150.6 Ų150.689%0.89280%0.804SS**  trans-136.5128.4146.9-61.7-176.6000108.3
264S30.7Very low33Very low100 Ų100150 Ų15070%0.69980%0.798SS**  trans-82.5143.6-176.7-174.40000112.7
265S31.8Very low33.3Very low100 Ų100150.9 Ų150.970%0.69979%0.791SS**  152.8125.7113.963.60000114.9
266H33.6Very low33.2Very low174 Ų174149.8 Ų149.881%0.80680%0.795SS**  trans38.2116.5142.7-73.7-76.3000122
267H33.3Very low32.9Very low189 Ų189148.3 Ų148.388%0.87579%0.792SS**  -160.8145.1104.3-140.12.2000112.1
268Q35.7Very low33Very low151 Ų151153 Ų15371%0.70680%0.801SS**  trans-91.4135.8-176.7-68.9163.8-43.400110.6
269H32.2Very low32.9Very low172 Ų172151.2 Ų151.280%0.79680%0.795SS**  174.9120.5112.9-104.1167.5000112.7
270S30.1Very low33.4Very low87 Ų87148.4 Ų148.461%0.60879%0.794SS**  75.9125.9127.4-48.30000122.3
271H34.3Very low33.6Very low163 Ų163152.3 Ų152.376%0.75580%0.8SS**  trans97.999.1152.9-67.9-74.5000121.2
272M35.3Very low34.2Very low170 Ų170152.8 Ų152.884%0.83779%0.794SS**  75.394.3123.5-67.6-179.5151.900121
273A31.2Very low34.9Very low90 Ų90149.8 Ų149.874%0.74479%0.79SS**  43.9105.6117.500000121.5
274H38.4Very low34.8Very low186 Ų186150.6 Ų150.686%0.86179%0.79SS**  77.9155.3124.9-91.2-53000121.7
275P39.4Very low34.8Very low95 Ų95157.2 Ų157.262%0.61780%0.801SS**  trans-116.9156.4-136.517.49.2000111.4Q277P275-Q277 PolarHBondContact O-N 3.3Å
276Q30.8Very low34.7Very low200 Ų200156.8 Ų156.894%0.93580%0.804SS**  trans-85.1110.2167.8-74.2-159.9-23.400110.5
277Q31.8Very low34.6Very low180 Ų180156.6 Ų156.684%0.84180%0.803SS**PPolyproline II helixtrans-73.7148.6168.6-69.9176.4-29.400110.8P275P275-Q277 PolarHBondContact O-N 3.3Å
278Y33Very low34.6Very low236 Ų236156.6 Ų156.693%0.92580%0.803SS**PPolyproline II helixtrans-50.7134.9174.2-80-105.6000113.4
279A31.9Very low34.4Very low97 Ų97157.7 Ų157.780%0.80281%0.808SS**PPolyproline II helixtrans-92.5134.9169.100000111.3
280P41.3Very low34.3Very low123 Ų123153.2 Ų153.280%0.79981%0.809SS**PPolyproline II helixtrans-92.6159.4-177.935.3-33.2000114.2
281Y35.3Very low34.4Very low227 Ų227157.9 Ų157.989%0.8982%0.821SS**PPolyproline II helixtrans-54154.9176.9-75.1-94.3000115
282P43.2Very low34.4Very low116 Ų116159.5 Ų159.575%0.75383%0.829SS**PPolyproline II helixtrans-82.5151.1179.433-33.3000113.4
283P44.4Very low34.2Very low116 Ų116160.1 Ų160.175%0.75383%0.83SS**PPolyproline II helixtrans-87.6160.6-169.634.1-34000114.8
284Q32.6Very low34.2Very low191 Ų191167.1 Ų167.189%0.89384%0.838SS**PPolyproline II helixtrans-77.9137-179.7-59.2167.4800110.5
285Y30.4Very low33.8Very low238 Ų238161.5 Ų161.593%0.93383%0.83SS**PPolyproline II helixtrans-79.5124175.4-80.7-91000111
286A30.6Very low33.4Very low91 Ų91165.2 Ų165.275%0.75284%0.842SS**  trans-105.4154.7170.400000111.3
287H30.8Very low33.3Very low170 Ų170164.9 Ų164.979%0.78784%0.838SS**  trans-38.4139.7-178.8-90.1-96.2000117.5
288H33Very low33.3Very low189 Ų189166.1 Ų166.188%0.87583%0.834SS**  trans-121117.4147-96.3-82.2000109.5
289Q31.5Very low33.3Very low175 Ų175162.6 Ų162.682%0.81883%0.826SS**  trans-78.7135164.1-71.2174.2-17.500108.3
290G31Very low33.5Very low78 Ų78163.9 Ų163.980%0.80483%0.827SS**  trans-14298169.900000107.9
291E31.4Very low33Very low184 Ų184167 Ų16786%0.8683%0.833SS**  trans-72.4126.8174-62176.9140.500109.1
292Q34.7Very low33Very low198 Ų198166.5 Ų166.593%0.92583%0.829SS**  trans-133.5120.3152.5-74-158.52.800109.4
293Q30.8Very low32.7Very low183 Ų183167.4 Ų167.486%0.85583%0.832SS**  trans-107.6116.9-173.3-176.5-1774.800108.3
294Y32.7Very low32.1Very low237 Ų237169.1 Ų169.193%0.92983%0.83SS**  trans-151.9127.2156.4-88.8-87000103.5
295G30Very low32.4Very low67 Ų67168.7 Ų168.769%0.69183%0.828SS**  cis148.989.216.800000105.3
296M31Very low33Very low173 Ų173163.6 Ų163.685%0.85282%0.824SS**  trans27.1128.5157.9-56.6-73.6-105.900119.7
297F28.7Very low33Very low194 Ų194164.4 Ų164.485%0.85182%0.824SS**  -169.3138.5118.5-103.5-77.6000112.3
298R31.8Very low33.3Very low205 Ų205164.7 Ų164.777%0.77483%0.828SS**  trans-28.2155.8170.8-59.6175.7-180-156.9-0.1115.9
299E31.6Very low34Very low162 Ų162161 Ų16176%0.75782%0.821SS**  cis-173.5160.528.1-128.2169.1-14300107.7
300P36.3Very low34Very low125 Ų125155.9 Ų155.981%0.81282%0.815SS**  trans-88.2116.2178.231.6-29.4000113.1R302P300-R302 PolarHBondContact O-N 3.35Å
301M30.9Very low34.2Very low188 Ų188160.7 Ų160.793%0.92682%0.821SS**  trans-76.4113.4165.7-96.6-167.3-167.600110.7
302R35.9Very low34.4Very low217 Ų217159 Ų15982%0.81982%0.816SS**  trans-61.6124.8156.3-74.1177.6-173.51602.8108.6P300P300-R302 PolarHBondContact O-N 3.35Å
303V35.7Very low34.4Very low134 Ų134157.8 Ų157.881%0.81282%0.815SS**  trans-91.5108.7166.8-159.60000107.6
304H32.8Very low34.9Very low152 Ų152154.7 Ų154.770%0.70481%0.809SS**PPolyproline II helixtrans-69134.8172.6-85.9-95.9000110.7
305H39.6Very low35.3Very low183 Ų183149 Ų14985%0.84780%0.801SS**PPolyproline II helixtrans-67.8138.1165.2-54.8-101.6000110.1
306P42.5Very low35.7Very low130 Ų130151.8 Ų151.884%0.84481%0.807SS**PPolyproline II helixtrans-88.8120.4162.7-2.821.2000110.7
307S31Very low36.2Very low108 Ų108149.2 Ų149.276%0.75581%0.806SS**PPolyproline II helixtrans-75.7141.5164-178.70000110.1
308M36.7Very low36.9Very low177 Ų177145.4 Ų145.487%0.87280%0.803SS**  trans-133.6151.6157.7-86.1-70.6175.100109.3
309P46.7Very low37.9Very low112 Ų112141 Ų14173%0.72780%0.801SS**  trans-99158.4-143.236.2-35.9000116.7
310G32.4Very low38.2Very low67 Ų67140.4 Ų140.469%0.69180%0.803SS**  trans-11130.5163.800000120.7
311L34.7Very low38.5Very low178 Ų178140.6 Ų140.693%0.93280%0.796SS**  trans-121.9121.9137.6-74175.9000108.8
312I36.8Very low38.5Very low150 Ų150140.9 Ų140.977%0.76980%0.795SS**  trans-80.6119.5177.2-63.5166.9000107.1T314I312-T314 HydrophobicContact CG2-CG2 4.48Å
313L34.9Very low38.8Very low172 Ų172138.6 Ų138.690%0.90179%0.791SS**  trans-129117.3155.5-73.1174.7000107.7
314T39.8Very low39Very low117 Ų117143.5 Ų143.572%0.71880%0.797SS**PPolyproline II helixtrans-66.7144.6178.647.90000111.6I312I312-T314 HydrophobicContact CG2-CG2 4.48Å
315P41Very low39.6Very low117 Ų117140 Ų14076%0.7679%0.794SS**PPolyproline II helixtrans-84.7143.117833.4-32.2000111.7
316P39.6Very low40Very low126 Ų126136.6 Ų136.682%0.81879%0.789SS**PPolyproline II helixtrans-86.3127163.631.1-27.2000111
317S40.9Very low40.1Very low120 Ų120139 Ų13984%0.83979%0.789SS**  trans-26.1127.5167.6-38.30000117.4
318S44.1Very low41.2Very low114 Ų114141.1 Ų141.180%0.79779%0.792SS**  trans-61.7158.2155-500000110.9
319P51.7Low42Very low112 Ų112136.5 Ų136.573%0.72778%0.777SS**  -149.8168.585.643.9-25.9000111.3
320L39.1Very low42Very low150 Ų150140.6 Ų140.679%0.78578%0.783SS**  cis-156146.531.2-80.9167.6000109.4
321L41.1Very low42.7Very low128 Ų128142.6 Ų142.667%0.6778%0.784SS**  trans5.3118.5145.9-72.6144.9000119.1F323L321-F323 HydrophobicContact CD2-CD2 3.39Å; L321-F323 HydrophobicContact CD2-CE2 3.29Å
322E32.3Very low43.3Very low195 Ų195144 Ų14491%0.91178%0.783SS**  -140114.2123.9-142.9159.3-152.400110.2
323F41.9Very low43.8Very low169 Ų169148.2 Ų148.274%0.74179%0.789SS**  trans-64.5123.5167-87.9-102.6000108.8L321L321-F323 HydrophobicContact CD2-CD2 3.39Å; L321-F323 HydrophobicContact CD2-CE2 3.29Å
324Y39.8Very low44.2Very low236 Ų236142.7 Ų142.793%0.92577%0.773SS**  trans-144129.3136.6-112.2-86.5000109.4
325A44.6Very low44.7Very low79 Ų79148.9 Ų148.965%0.65378%0.783SS**  trans-65.1159.6-168.700000113.2E327A325-E327 PolarHBondContact O-N 3.35Å
326P48.3Very low45.1Very low112 Ų112153.6 Ų153.673%0.72779%0.786SS**  trans-68.3121.6172.84.510000108.7D328P326-D328 PolarHBondContact O-N 3.41Å
327E45.4Very low45.8Very low180 Ų180152.7 Ų152.784%0.84178%0.783SS**  trans-71.976.9165.5-72.7-121155.700109.4A325 S329A325-E327 PolarHBondContact O-N 3.35Å; E327-S329 PolarHBondContact O-N 3.09Å
328D54Low46.1Very low153 Ų153156.9 Ų156.982%0.81878%0.78SS**  trans-63.681.8155.2-92.6-43.4000109.1P326P326-D328 PolarHBondContact O-N 3.41Å
329S54Low46.8Very low80 Ų80155.2 Ų155.256%0.55977%0.773SS**  trans-156.151.7162.762.10000112.6E327 P331E327-S329 PolarHBondContact O-N 3.09Å; S329-P331 VanDerWaalsContact O-CD 3.24Å; S329-P331 WeakPolarHBondContact O-CD 3.48Å; S329-P331 VanDerWaalsContact O-N 3.09Å
330K46.8Very low47.4Very low197 Ų197159.4 Ų159.486%0.85778%0.775SS**  trans-58.1117.7152.5-72.6-179.1-176.7174.60106.2K332K330-K332 PolarHBondContact O-N 2.86Å
331P45.5Very low48.5Very low110 Ų110161.5 Ų161.571%0.71478%0.778SS**  trans-57.2120.9176.622.5-30.7000105.9S329 R333S329-P331 VanDerWaalsContact O-CD 3.24Å; S329-P331 WeakPolarHBondContact O-CD 3.48Å; S329-P331 VanDerWaalsContact O-N 3.09Å; P331-R333 PolarHBondContact O-N 3.09Å
332K48.4Very low49.8Very low208 Ų208164.8 Ų164.890%0.90478%0.781SS**  trans-52.1100.8167.5-75.4178.2179.8172.60104.4K330 G334K330-K332 PolarHBondContact O-N 2.86Å; K332-G334 PolarHBondContact O-N 3.22Å
333R46.3Very low52.2Low238 Ų238160.5 Ų160.590%0.89877%0.768SS**  trans-60.291.4168.8-80.5-172.2-84.6-152.2-3.7103.5P331 R335P331-R333 PolarHBondContact O-N 3.09Å; R333-R335 PolarHBondContact O-N 3.24Å; R333-R335 VanDerWaalsContact O-N 3.13Å
334G43.3Very low54.1Low56 Ų56154.6 Ų154.658%0.57775%0.751SS**  trans-48.2127.1172.600000105K332 R336K332-G334 PolarHBondContact O-N 3.22Å; G334-R336 PolarHBondContact O-N 2.95Å
335R50.3Low56.3Low246 Ų246148 Ų14893%0.92874%0.735SS**  trans-55.597.1171.4-71.7-165.4-154.1-118.87.9105.1R333 S337R333-R335 PolarHBondContact O-N 3.24Å; R333-R335 VanDerWaalsContact O-N 3.13Å; R335-S337 PolarHBondContact O-N 3.49Å
336R50.8Low58.5Low216 Ų216147.2 Ų147.282%0.81572%0.718SS**  trans-63.9100.1167.5-68.3-172.8-127-127.23.2102.9G334 W338G334-R336 PolarHBondContact O-N 2.95Å; R336-W338 PolarHBondContact O-N 3.28Å
337S52.4Low60.6Low107 Ų107144.7 Ų144.775%0.74870%0.703SS**  trans-69.277.7168.956.40000106.4R335 A339R335-S337 PolarHBondContact O-N 3.49Å; S337-A339 PolarHBondContact O-N 3.13Å
338W48.6Very low62.9Low208 Ų208136.6 Ų136.679%0.78867%0.666SS**  trans-70.441.9160.6-92.142.6000110R336 R340R336-W338 PolarHBondContact O-N 3.28Å; W338-R340 PolarHBondContact O-N 3.21Å
339A58.5Low64.6Low79 Ų79137.7 Ų137.765%0.65367%0.666SS**  trans-69.876.1159.600000106.1S337 K341S337-A339 PolarHBondContact O-N 3.13Å; A339-K341 VanDerWaalsContact C-N 3.31Å; A339-K341 PolarHBondContact O-N 3.42Å
340R63.4Low66.4Low201 Ų201138.3 Ų138.376%0.75866%0.659SS**  trans-51109.6154.9-84.7-177.2175.2-176.4-1.9104.3W338 R342W338-R340 PolarHBondContact O-N 3.21Å; R340-R342 PolarHBondContact O-N 2.81Å
341K63.4Low68.5Low194 Ų194134.3 Ų134.384%0.84365%0.653SS**  trans-56.899.1169.3-70.7177.5-176.61770104.5A339 T343A339-K341 VanDerWaalsContact C-N 3.31Å; A339-K341 PolarHBondContact O-N 3.42Å; K341-T343 VanDerWaalsContact C-N 3.27Å; K341-T343 PolarHBondContact O-N 3.25Å
342R68.1Low70.6Confident196 Ų196133.4 Ų133.474%0.7466%0.664SS**  trans-69.295.4176.7-77.3-174.7-83-171.8-5.2105.3R340 A344 T358R340-R342 PolarHBondContact O-N 2.81Å; R342-A344 PolarHBondContact O-N 2.96Å; R342-T358 HydrophobicContact CB-CG2 3.78Å
343T81.3Confident72.6Confident105 Ų105124.8 Ų124.864%0.64463%0.63SS**  trans-66.9126.1173.444.30000107.2K341 T345K341-T343 VanDerWaalsContact C-N 3.27Å; K341-T343 PolarHBondContact O-N 3.25Å; T343-T345 PolarHBondContact O-N 2.74Å; T343-T345 VanDerWaalsContact O-N 3.14Å
344A82.6Confident74.7Confident45 Ų45116.5 Ų116.537%0.37262%0.619SS.*  trans-74.1103.1175.600000108R342 Y357 T358R342-A344 PolarHBondContact O-N 2.96Å; A344-Y357 CarbonylContact C-O 3.34Å; A344-Y357 WeakPolarHBondContact CA-O 3.49Å; A344-T358 HydrophobicContact CB-CG2 4.08Å
345T86.6Confident77Confident97 Ų97119 Ų11960%0.59561%0.614SS**  trans-93.6-15.4-176.348.80000113.1T343 Y357T343-T345 PolarHBondContact O-N 2.74Å; T343-T345 VanDerWaalsContact O-N 3.14Å; T345-Y357 PolarHBondContact N-O 3.02Å
346H90.2Very high79.1Confident63 Ų63111.1 Ų111.129%0.29259%0.593SS.*EExtended strand (participates in β ladder)trans-106.198.9-174.3-59.8-71.9000110.7T356 Y357 S360 L363H346-T356 CarbonylContact O-C 3.46Å; H346-T356 WeakPolarHBondContact O-CA 3.16Å; H346-Y357 WeakPolarHBondContact CB-O 3.5Å; H346-Y357 PolarHBondContact N-O 3.48Å; H346-Y357 PolarHBondContact O-N 3.33Å; H346-S360 PolarHBondContact CD2-N 3.06Å; H346-S360 PolarHBondContact NE2-N 3.28Å; H346-L363 HydrophobicContact CB-CB 4.04Å; H346-L363 HydrophobicContact CB-CD2 3.84Å
347S92.5Very high81.1Confident60 Ų60103.2 Ų103.242%0.4256%0.564SS.*EExtended strand (participates in β ladder)trans-87.7146.6176.947.30000112.5L363S347-L363 WeakPolarHBondContact O-CD2 3.44Å
348C93.9Very high83Confident10 Ų10100.7 Ų100.77%0.06854%0.544CS..  trans-79.8123.9168-177.20000110F350 C353 K355 L363 H366 H370C348-F350 VanDerWaalsContact C-N 3.32Å; C348-F350 VanDerWaalsContact SG-CB 3.58Å; C348-C353 HydrophobicContact CB-CB 4.36Å; C348-K355 HydrophobicContact CB-CB 4.46Å; C348-K355 WeakPolarHBondContact CB-O 3.49Å; C348-K355 PolarHBondContact N-O 2.98Å; C348-L363 HydrophobicContact CB-CD1 3.88Å; C348-H366 PolarHBondContact SG-NE2 3.02Å; C348-H370 PolarHBondContact SG-NE2 2.94Å; C348-H370 VanDerWaalsContact SG-NE2 3.44Å
349E89.8Confident85Confident176 Ų17696 Ų9682%0.82253%0.529SS*.  trans-88.80.2-179.3-64.4174.5-172.600112.7
350F90.9Very high86.5Confident93 Ų9395.9 Ų95.941%0.40852%0.523SS..SBendtrans-65.7131.2178.9-166.1-91.8000111C348 G352 C353 H370C348-F350 VanDerWaalsContact C-N 3.32Å; C348-F350 VanDerWaalsContact SG-CB 3.58Å; F350-G352 PolarHBondContact O-N 2.84Å; F350-G352 VanDerWaalsContact O-N 3.16Å; F350-C353 HydrophobicContact CB-CB 4.11Å; F350-C353 WeakPolarHBondContact O-CB 3.38Å; F350-C353 PolarHBondContact O-N 3.32Å; F350-H370 HydrophobicContact CD1-CB 4.48Å; F350-H370 AromaticContact CD1-CE1 3.39Å; F350-H370 WeakPolarHBondContact CD1-CE1 3.45Å; F350-H370 AromaticContact CD1-CG 3.78Å; F350-H370 AromaticContact CD1-ND1 3.17Å; F350-H370 WeakPolarHBondContact CD1-ND1 3.48Å; F350-H370 HydrophobicContact CD2-CB 3.61Å; F350-H370 AromaticContact CD2-CG 3.63Å; F350-H370 AromaticContact CD2-ND1 3.88Å; F350-H370 AromaticContact CE1-ND1 3.51Å; F350-H370 HydrophobicContact CE2-CB 3.77Å; F350-H370 HydrophobicContact CG-CB 3.98Å; F350-H370 AromaticContact CG-CD2 3.76Å; F350-H370 AromaticContact CG-CE1 3.65Å; F350-H370 AromaticContact CG-CG 3.44Å; F350-H370 VanDerWaalsContact CG-CG 3.44Å; F350-H370 AromaticContact CG-ND1 3.37Å; F350-H370 WeakPolarHBondContact CG-ND1 3.43Å; F350-H370 AromaticContact CG-NE2 3.91Å; F350-H370 HydrophobicContact CZ-CB 4.27Å; F350-H370 AromaticContact CZ-ND1 3.99Å
351P91.4Very high87.7Confident112 Ų11289.2 Ų89.273%0.72751%0.508SS*.THydrogen-bonded Turntrans-52122.2-178.3-27.434.3000112.1C353P351-C353 PolarHBondContact O-N 2.97Å
352G89.4Confident89.1Confident92 Ų9284.2 Ų84.295%0.94849%0.487SS*.THydrogen-bonded Turntrans79.94.9178.300000116.3F350F350-G352 PolarHBondContact O-N 2.84Å; F350-G352 VanDerWaalsContact O-N 3.16Å
353C91.4Very high90.2Very high26 Ų2676.4 Ų76.418%0.17646%0.46CS..THydrogen-bonded Turntrans-86.3-52.8178.9-171.30000113.7C348 F350 P351 K355 H366 H370C348-C353 HydrophobicContact CB-CB 4.36Å; F350-C353 HydrophobicContact CB-CB 4.11Å; F350-C353 WeakPolarHBondContact O-CB 3.38Å; F350-C353 PolarHBondContact O-N 3.32Å; P351-C353 PolarHBondContact O-N 2.97Å; C353-K355 PolarHBondContact O-N 2.91Å; C353-H366 PolarHBondContact SG-CE1 2.9Å; C353-H366 PolarHBondContact SG-NE2 3.14Å; C353-H370 PolarHBondContact SG-NE2 3.42Å
354G88.6Confident90.6Very high65 Ų6576.7 Ų76.767%0.6745%0.452SS*.  trans60.86.3177.100000116.5
355K92.5Very high90.9Very high108 Ų10875.6 Ų75.647%0.4744%0.443SS..  trans-74138.7-177.8-68.4178.7-170.51730111.2C348 C353 Y357C348-K355 HydrophobicContact CB-CB 4.46Å; C348-K355 WeakPolarHBondContact CB-O 3.49Å; C348-K355 PolarHBondContact N-O 2.98Å; C353-K355 PolarHBondContact O-N 2.91Å; K355-Y357 HydrophobicContact CB-CE2 3.85Å; K355-Y357 WeakPolarHBondContact CD-OH 3.39Å
356T93.7Very high91.1Very high81 Ų8171.7 Ų71.750%0.49742%0.418SS..EExtended strand (participates in β ladder)trans-121.6146.8178.261.70000111.8H346H346-T356 CarbonylContact O-C 3.46Å; H346-T356 WeakPolarHBondContact O-CA 3.16Å
357Y92.9Very high91.1Very high50 Ų5071.7 Ų71.720%0.19642%0.419CS..EExtended strand (participates in β ladder)trans-130.9148.9-173.7-58.8-84.9000110.6A344 T345 H346 K355 H362 L363 H366A344-Y357 CarbonylContact C-O 3.34Å; A344-Y357 WeakPolarHBondContact CA-O 3.49Å; T345-Y357 PolarHBondContact N-O 3.02Å; H346-Y357 WeakPolarHBondContact CB-O 3.5Å; H346-Y357 PolarHBondContact N-O 3.48Å; H346-Y357 PolarHBondContact O-N 3.33Å; K355-Y357 HydrophobicContact CB-CE2 3.85Å; K355-Y357 WeakPolarHBondContact CD-OH 3.39Å; Y357-H362 HydrophobicContact CD1-CB 3.72Å; Y357-H362 HydrophobicContact CG-CB 4.11Å; Y357-L363 HydrophobicContact CD2-CB 3.86Å; Y357-L363 HydrophobicContact CD2-CD1 3.76Å; Y357-L363 HydrophobicContact CD2-CG 4.42Å; Y357-L363 HydrophobicContact CE2-CD1 3.99Å; Y357-L363 HydrophobicContact CG-CB 4.28Å; Y357-H366 HydrophobicContact CE1-CB 4.1Å; Y357-H366 HydrophobicContact CE2-CB 3.73Å; Y357-H366 AromaticContact CE2-CD2 3.3Å; Y357-H366 WeakPolarHBondContact CE2-CD2 3.32Å; Y357-H366 AromaticContact CE2-CG 3.58Å; Y357-H366 VanDerWaalsContact CZ-CB 3.43Å; Y357-H366 AromaticContact CZ-CD2 3.59Å; Y357-H366 AromaticContact CZ-CG 3.38Å; Y357-H366 VanDerWaalsContact OH-CB 3.29Å; Y357-H366 WeakPolarHBondContact OH-CB 3.44Å; Y357-H366 PolarHBondContact OH-CD2 3.11Å; Y357-H366 PolarHBondContact OH-ND1 3.36Å
358T92.4Very high91.1Very high54 Ų5471 Ų7133%0.33141%0.407SS..SBendtrans-85.6-12.4177.151.80000113.1R342 A344R342-T358 HydrophobicContact CB-CG2 3.78Å; A344-T358 HydrophobicContact CB-CG2 4.08Å
359K90.5Very high90.9Very high109 Ų10975 Ų7547%0.47443%0.431SS..SBendtrans-131.2139.4178-63-171.2176.3-169.30109.7S361 H362 L363K359-S361 VanDerWaalsContact C-N 3.28Å; K359-S361 PolarHBondContact O-N 2.75Å; K359-H362 HydrophobicContact CB-CB 4.41Å; K359-H362 PolarHBondContact O-N 2.72Å; K359-L363 PolarHBondContact O-N 3.48Å
360S90.9Very high90.8Very high76 Ų7669.1 Ų69.153%0.53140%0.404SS..Hα-helixtrans-59.8-38.1173.555.40000111.9H346 H362 L363 K364H346-S360 PolarHBondContact CD2-N 3.06Å; H346-S360 PolarHBondContact NE2-N 3.28Å; S360-H362 VanDerWaalsContact C-N 3.3Å; S360-H362 PolarHBondContact O-N 2.99Å; S360-L363 WeakPolarHBondContact O-CB 3.29Å; S360-L363 PolarHBondContact O-N 3.27Å; S360-L363 VanDerWaalsContact O-N 3.12Å; S360-K364 PolarHBondContact O-N 3.04Å
361S89.4Confident90.7Very high62 Ų6268.6 Ų68.643%0.43441%0.408SS..Hα-helixtrans-60.6-37.6177.160.90000112.9K359 K364 A365K359-S361 VanDerWaalsContact C-N 3.28Å; K359-S361 PolarHBondContact O-N 2.75Å; S361-K364 PolarHBondContact O-N 2.83Å; S361-A365 WeakPolarHBondContact O-CB 3.46Å; S361-A365 PolarHBondContact O-N 3.43Å
362H91Very high90.6Very high89 Ų8965.6 Ų65.641%0.41240%0.398SS..Hα-helixtrans-69.3-38.7174.6-65.1168.7000112Y357 K359 S360 H366Y357-H362 HydrophobicContact CD1-CB 3.72Å; Y357-H362 HydrophobicContact CG-CB 4.11Å; K359-H362 HydrophobicContact CB-CB 4.41Å; K359-H362 PolarHBondContact O-N 2.72Å; S360-H362 VanDerWaalsContact C-N 3.3Å; S360-H362 PolarHBondContact O-N 2.99Å; H362-H366 VanDerWaalsContact O-CB 3.27Å; H362-H366 WeakPolarHBondContact O-CB 3.41Å; H362-H366 PolarHBondContact O-N 3.37Å
363L92.6Very high90.6Very high32 Ų3266.6 Ų66.617%0.16838%0.378CS..Hα-helixtrans-62.5-47.6172.8174.562.3000110.6H346 S347 C348 Y357 K359 S360 A365 H366 M367H346-L363 HydrophobicContact CB-CB 4.04Å; H346-L363 HydrophobicContact CB-CD2 3.84Å; S347-L363 WeakPolarHBondContact O-CD2 3.44Å; C348-L363 HydrophobicContact CB-CD1 3.88Å; Y357-L363 HydrophobicContact CD2-CB 3.86Å; Y357-L363 HydrophobicContact CD2-CD1 3.76Å; Y357-L363 HydrophobicContact CD2-CG 4.42Å; Y357-L363 HydrophobicContact CE2-CD1 3.99Å; Y357-L363 HydrophobicContact CG-CB 4.28Å; K359-L363 PolarHBondContact O-N 3.48Å; S360-L363 WeakPolarHBondContact O-CB 3.29Å; S360-L363 PolarHBondContact O-N 3.27Å; S360-L363 VanDerWaalsContact O-N 3.12Å; L363-A365 PolarHBondContact O-N 2.94Å; L363-H366 CarbonylContact O-C 3.5Å; L363-H366 WeakPolarHBondContact O-CA 3.41Å; L363-H366 WeakPolarHBondContact O-CB 3.36Å; L363-H366 PolarHBondContact O-N 2.9Å; L363-M367 HydrophobicContact CD1-CG 4.32Å; L363-M367 HydrophobicContact CD1-SD 4.32Å; L363-M367 HydrophobicContact CG-CG 4.49Å; L363-M367 WeakPolarHBondContact O-CG 3.32Å; L363-M367 PolarHBondContact O-N 3.2Å
364K89.4Confident90.6Very high110 Ų11071.3 Ų71.348%0.47840%0.395SS..Hα-helixtrans-58.5-45.2177.1-172.4176.5-177.3-179.60111.8S360 S361 H366 M367S360-K364 PolarHBondContact O-N 3.04Å; S361-K364 PolarHBondContact O-N 2.83Å; K364-H366 VanDerWaalsContact C-N 3.3Å; K364-H366 PolarHBondContact O-N 3.35Å; K364-M367 PolarHBondContact O-N 3.43Å
365A89.1Confident90.7Very high23 Ų2371.3 Ų71.319%0.1938%0.383CS..Hα-helixtrans-63.5-36.7174.400000112.4S361 L363 R368 R389S361-A365 WeakPolarHBondContact O-CB 3.46Å; S361-A365 PolarHBondContact O-N 3.43Å; L363-A365 PolarHBondContact O-N 2.94Å; A365-R368 WeakPolarHBondContact O-CB 3.44Å; A365-R368 PolarHBondContact O-N 3.07Å; A365-R389 HydrophobicContact CB-CG 4.46Å
366H90.4Very high90.8Very high14 Ų1469.7 Ų69.77%0.06538%0.375CS..Hα-helixtrans-68-38.5174.5166.157.5000112.8C348 C353 Y357 H362 L363 K364 R368 T369 H370C348-H366 PolarHBondContact SG-NE2 3.02Å; C353-H366 PolarHBondContact SG-CE1 2.9Å; C353-H366 PolarHBondContact SG-NE2 3.14Å; Y357-H366 HydrophobicContact CE1-CB 4.1Å; Y357-H366 HydrophobicContact CE2-CB 3.73Å; Y357-H366 AromaticContact CE2-CD2 3.3Å; Y357-H366 WeakPolarHBondContact CE2-CD2 3.32Å; Y357-H366 AromaticContact CE2-CG 3.58Å; Y357-H366 VanDerWaalsContact CZ-CB 3.43Å; Y357-H366 AromaticContact CZ-CD2 3.59Å; Y357-H366 AromaticContact CZ-CG 3.38Å; Y357-H366 VanDerWaalsContact OH-CB 3.29Å; Y357-H366 WeakPolarHBondContact OH-CB 3.44Å; Y357-H366 PolarHBondContact OH-CD2 3.11Å; Y357-H366 PolarHBondContact OH-ND1 3.36Å; H362-H366 VanDerWaalsContact O-CB 3.27Å; H362-H366 WeakPolarHBondContact O-CB 3.41Å; H362-H366 PolarHBondContact O-N 3.37Å; L363-H366 CarbonylContact O-C 3.5Å; L363-H366 WeakPolarHBondContact O-CA 3.41Å; L363-H366 WeakPolarHBondContact O-CB 3.36Å; L363-H366 PolarHBondContact O-N 2.9Å; K364-H366 VanDerWaalsContact C-N 3.3Å; K364-H366 PolarHBondContact O-N 3.35Å; H366-R368 PolarHBondContact O-N 3.09Å; H366-R368 VanDerWaalsContact O-N 3.12Å; H366-T369 PolarHBondContact CE1-OG1 3.33Å; H366-T369 PolarHBondContact ND1-OG1 3.39Å; H366-T369 VanDerWaalsContact O-CB 3.3Å; H366-T369 WeakPolarHBondContact O-CB 3.38Å; H366-T369 WeakPolarHBondContact O-CG2 3.37Å; H366-T369 PolarHBondContact O-N 3.21Å; H366-T369 PolarHBondContact O-OG1 3.29Å; H366-H370 AromaticContact CE1-CD2 3.96Å; H366-H370 AromaticContact CE1-NE2 3.35Å; H366-H370 PolarHBondContact CE1-NE2 3.44Å; H366-H370 VanDerWaalsContact CE1-NE2 3.35Å; H366-H370 AromaticContact NE2-CD2 3.85Å; H366-H370 AromaticContact NE2-NE2 3.27Å; H366-H370 PolarHBondContact NE2-NE2 3.47Å
367M91.1Very high90.8Very high64 Ų6471 Ų7132%0.31538%0.375SS..Hα-helixtrans-56.7-30.4178.2-72-54.9-62.600112.2L363 K364 T369 H370 T371L363-M367 HydrophobicContact CD1-CG 4.32Å; L363-M367 HydrophobicContact CD1-SD 4.32Å; L363-M367 HydrophobicContact CG-CG 4.49Å; L363-M367 WeakPolarHBondContact O-CG 3.32Å; L363-M367 PolarHBondContact O-N 3.2Å; K364-M367 PolarHBondContact O-N 3.43Å; M367-T369 PolarHBondContact O-N 2.86Å; M367-T369 VanDerWaalsContact O-N 3.13Å; M367-H370 WeakPolarHBondContact O-CB 3.49Å; M367-H370 PolarHBondContact O-N 3.5Å; M367-T371 PolarHBondContact O-N 3.29Å; M367-T371 VanDerWaalsContact O-N 3.15Å
368R91.4Very high90.9Very high46 Ų4669.1 Ų69.117%0.17437%0.369CS..Hα-helixtrans-59.9-22172.8-60.9-174.5179.1107.72.1114.1A365 H366 H370 T371 G372 E373 A388A365-R368 WeakPolarHBondContact O-CB 3.44Å; A365-R368 PolarHBondContact O-N 3.07Å; H366-R368 PolarHBondContact O-N 3.09Å; H366-R368 VanDerWaalsContact O-N 3.12Å; R368-H370 VanDerWaalsContact C-N 3.29Å; R368-T371 WeakPolarHBondContact CA-OG1 3.48Å; R368-G372 VanDerWaalsContact O-CA 3.31Å; R368-G372 WeakPolarHBondContact O-CA 3.29Å; R368-G372 PolarHBondContact O-N 2.68Å; R368-E373 HydrophobicContact CB-CB 4.46Å; R368-E373 HydrophobicContact CG-CB 4.3Å; R368-E373 PolarHBondContact O-N 2.82Å; R368-A388 HydrophobicContact CB-CB 4.12Å; R368-A388 WeakPolarHBondContact CD-O 3.32Å
369T89.1Confident91Very high92 Ų9271.4 Ų71.456%0.56438%0.379SS*.Hα-helixtrans-73.6-21.9173.8680000113H366 M367H366-T369 PolarHBondContact CE1-OG1 3.33Å; H366-T369 PolarHBondContact ND1-OG1 3.39Å; H366-T369 VanDerWaalsContact O-CB 3.3Å; H366-T369 WeakPolarHBondContact O-CB 3.38Å; H366-T369 WeakPolarHBondContact O-CG2 3.37Å; H366-T369 PolarHBondContact O-N 3.21Å; H366-T369 PolarHBondContact O-OG1 3.29Å; M367-T369 PolarHBondContact O-N 2.86Å; M367-T369 VanDerWaalsContact O-N 3.13Å
370H89.4Confident91.1Very high53 Ų5371.5 Ų71.525%0.24538%0.377CS..Hα-helixtrans-88.8-42.2174.8-66.8-59.7000111.8C348 F350 C353 H366 M367 R368 G372C348-H370 PolarHBondContact SG-NE2 2.94Å; C348-H370 VanDerWaalsContact SG-NE2 3.44Å; F350-H370 HydrophobicContact CD1-CB 4.48Å; F350-H370 AromaticContact CD1-CE1 3.39Å; F350-H370 WeakPolarHBondContact CD1-CE1 3.45Å; F350-H370 AromaticContact CD1-CG 3.78Å; F350-H370 AromaticContact CD1-ND1 3.17Å; F350-H370 WeakPolarHBondContact CD1-ND1 3.48Å; F350-H370 HydrophobicContact CD2-CB 3.61Å; F350-H370 AromaticContact CD2-CG 3.63Å; F350-H370 AromaticContact CD2-ND1 3.88Å; F350-H370 AromaticContact CE1-ND1 3.51Å; F350-H370 HydrophobicContact CE2-CB 3.77Å; F350-H370 HydrophobicContact CG-CB 3.98Å; F350-H370 AromaticContact CG-CD2 3.76Å; F350-H370 AromaticContact CG-CE1 3.65Å; F350-H370 AromaticContact CG-CG 3.44Å; F350-H370 VanDerWaalsContact CG-CG 3.44Å; F350-H370 AromaticContact CG-ND1 3.37Å; F350-H370 WeakPolarHBondContact CG-ND1 3.43Å; F350-H370 AromaticContact CG-NE2 3.91Å; F350-H370 HydrophobicContact CZ-CB 4.27Å; F350-H370 AromaticContact CZ-ND1 3.99Å; C353-H370 PolarHBondContact SG-NE2 3.42Å; H366-H370 AromaticContact CE1-CD2 3.96Å; H366-H370 AromaticContact CE1-NE2 3.35Å; H366-H370 PolarHBondContact CE1-NE2 3.44Å; H366-H370 VanDerWaalsContact CE1-NE2 3.35Å; H366-H370 AromaticContact NE2-CD2 3.85Å; H366-H370 AromaticContact NE2-NE2 3.27Å; H366-H370 PolarHBondContact NE2-NE2 3.47Å; M367-H370 WeakPolarHBondContact O-CB 3.49Å; M367-H370 PolarHBondContact O-N 3.5Å; R368-H370 VanDerWaalsContact C-N 3.29Å; H370-G372 VanDerWaalsContact C-N 3.35Å
371T87.6Confident91.3Very high82 Ų8276.8 Ų76.850%0.50339%0.393SS..Hα-helixtrans-80.6-17.9179.960.10000113M367 R368 E373M367-T371 PolarHBondContact O-N 3.29Å; M367-T371 VanDerWaalsContact O-N 3.15Å; R368-T371 WeakPolarHBondContact CA-OG1 3.48Å; T371-E373 PolarHBondContact O-N 3.4Å; T371-E373 WeakPolarHBondContact OG1-CG 3.39Å; T371-E373 PolarHBondContact OG1-N 3.43Å
372G88.9Confident91.4Very high50 Ų5078.3 Ų78.352%0.51542%0.419SS..  trans72.68.3-174.500000113.7R368 H370 K374R368-G372 VanDerWaalsContact O-CA 3.31Å; R368-G372 WeakPolarHBondContact O-CA 3.29Å; R368-G372 PolarHBondContact O-N 2.68Å; H370-G372 VanDerWaalsContact C-N 3.35Å; G372-K374 PolarHBondContact O-N 2.75Å
373E90.4Very high91.5Very high113 Ų11375 Ų7553%0.52841%0.405SS..  trans-63.3130.2-179.7-76.7175.9-166.900112R368 T371R368-E373 HydrophobicContact CB-CB 4.46Å; R368-E373 HydrophobicContact CG-CB 4.3Å; R368-E373 PolarHBondContact O-N 2.82Å; T371-E373 PolarHBondContact O-N 3.4Å; T371-E373 WeakPolarHBondContact OG1-CG 3.39Å; T371-E373 PolarHBondContact OG1-N 3.43Å
374K91.8Very high91.5Very high124 Ų12476.7 Ų76.754%0.53943%0.431SS..  trans-129.779.3179.6-69.3170.5172.4-168.10109.8G372 Y376 K386 F387G372-K374 PolarHBondContact O-N 2.75Å; K374-Y376 PolarHBondContact O-N 3.42Å; K374-K386 HydrophobicContact CB-CB 3.63Å; K374-K386 HydrophobicContact CD-CB 4.09Å; K374-K386 WeakPolarHBondContact CD-O 3.42Å; K374-K386 HydrophobicContact CG-CB 4.47Å; K374-F387 CarbonylContact C-O 3.49Å; K374-F387 VanDerWaalsContact C-O 3.29Å; K374-F387 VanDerWaalsContact CA-O 3.24Å; K374-F387 WeakPolarHBondContact CA-O 3.4Å
375P90.5Very high91.7Very high65 Ų6579.4 Ų79.442%0.42244%0.438SS..  trans-69.5-22.5-175.124.9-31.5000113.1
376Y93.4Very high92Very high74 Ų7484.2 Ų84.229%0.2946%0.455SS..EExtended strand (participates in β ladder)trans-94112.8-175.5-57.1-78.7000110.5K374 K386 F387 A388K374-Y376 PolarHBondContact O-N 3.42Å; Y376-K386 CarbonylContact O-C 3.6Å; Y376-K386 VanDerWaalsContact O-CA 3.32Å; Y376-K386 WeakPolarHBondContact O-CA 3.33Å; Y376-F387 PolarHBondContact N-O 2.82Å; Y376-F387 VanDerWaalsContact N-O 3.11Å; Y376-F387 PolarHBondContact O-N 2.82Å; Y376-A388 WeakPolarHBondContact CE2-O 3.44Å
377H93.8Very high92.1Very high108 Ų10884.9 Ų84.950%0.546%0.458SS..EExtended strand (participates in β ladder)trans-103.5146.6-179.551.9-75.8000110.8N379 K386 L393H377-N379 PolarHBondContact CD2-OD1 3.43Å; H377-N379 PolarHBondContact NE2-OD1 3.33Å; H377-N379 PolarHBondContact O-OD1 3.46Å; H377-K386 HydrophobicContact CB-CG 4.37Å; H377-L393 WeakPolarHBondContact O-CD1 3.01Å; H377-L393 WeakPolarHBondContact O-CD2 3.49Å
378C96Very high92.1Very high11 Ų1182.7 Ų82.77%0.07445%0.449CS..  trans-79.8130.8168.8-167.50000109.3W380 C383 W385 L393 H396 H400C378-W380 VanDerWaalsContact C-N 3.35Å; C378-C383 HydrophobicContact CB-CB 4.33Å; C378-W385 WeakPolarHBondContact CB-O 3.32Å; C378-W385 PolarHBondContact N-O 3.29Å; C378-L393 HydrophobicContact CB-CD1 4.06Å; C378-H396 VanDerWaalsContact SG-CD2 3.55Å; C378-H396 PolarHBondContact SG-NE2 2.81Å; C378-H396 VanDerWaalsContact SG-NE2 3.42Å; C378-H400 PolarHBondContact SG-NE2 3.46Å
379N94.1Very high92.1Very high102 Ų10285.5 Ų85.555%0.54546%0.46SS..  trans-988.8180-56.4-2.3000111.6H377 Y397H377-N379 PolarHBondContact CD2-OD1 3.43Å; H377-N379 PolarHBondContact NE2-OD1 3.33Å; H377-N379 PolarHBondContact O-OD1 3.46Å; N379-Y397 WeakPolarHBondContact CA-OH 3.32Å; N379-Y397 WeakPolarHBondContact CB-OH 3.35Å; N379-Y397 PolarHBondContact N-OH 3.48Å
380W93.6Very high92.2Very high112 Ų11283 Ų8342%0.42445%0.447SS..SBendtrans-72.3134177.1-165.4-81.3000110.2C378 G382 C383 Y397 H400 T401C378-W380 VanDerWaalsContact C-N 3.35Å; W380-G382 PolarHBondContact O-N 3.04Å; W380-C383 HydrophobicContact CB-CB 3.86Å; W380-C383 WeakPolarHBondContact O-CA 3.39Å; W380-C383 WeakPolarHBondContact O-CB 3.24Å; W380-C383 PolarHBondContact O-N 3.47Å; W380-Y397 HydrophobicContact CE3-CE1 4.03Å; W380-Y397 PolarHBondContact N-OH 3.41Å; W380-H400 AromaticContact CD1-CE1 3.66Å; W380-H400 AromaticContact CD1-CG 3.98Å; W380-H400 AromaticContact CD1-ND1 3.4Å; W380-H400 HydrophobicContact CD2-CB 3.42Å; W380-H400 VanDerWaalsContact CD2-CB 3.42Å; W380-H400 AromaticContact CD2-CG 3.49Å; W380-H400 VanDerWaalsContact CD2-CG 3.49Å; W380-H400 AromaticContact CD2-ND1 3.69Å; W380-H400 AromaticContact CE2-CG 3.94Å; W380-H400 AromaticContact CE2-ND1 3.82Å; W380-H400 HydrophobicContact CE3-CB 3.36Å; W380-H400 AromaticContact CE3-CG 3.85Å; W380-H400 HydrophobicContact CG-CB 4.04Å; W380-H400 AromaticContact CG-CD2 3.84Å; W380-H400 AromaticContact CG-CE1 3.68Å; W380-H400 AromaticContact CG-CG 3.53Å; W380-H400 AromaticContact CG-ND1 3.42Å; W380-H400 AromaticContact CG-NE2 3.96Å; W380-H400 HydrophobicContact CH2-CB 3.88Å; W380-H400 HydrophobicContact CZ2-CB 3.95Å; W380-H400 HydrophobicContact CZ3-CB 3.6Å; W380-H400 AromaticContact NE1-ND1 3.65Å; W380-T401 HydrophobicContact CZ3-CG2 4.05Å
381E93.6Very high92.3Very high186 Ų18683.9 Ų83.987%0.86945%0.453SS*.THydrogen-bonded Turntrans-59.5132.6-177.4-65.1-165.8160.600112.1C383E381-C383 PolarHBondContact O-N 2.89Å
382G91.9Very high92.5Very high94 Ų9482.4 Ų82.497%0.96944%0.44SS*.THydrogen-bonded Turntrans73.8-0.8-17400000114.8W380W380-G382 PolarHBondContact O-N 3.04Å
383C93.2Very high92.8Very high20 Ų2081.4 Ų81.414%0.13542%0.423CS..  trans-97.5108.3176.1-166.10000111.7C378 W380 E381 W385 H396 H400C378-C383 HydrophobicContact CB-CB 4.33Å; W380-C383 HydrophobicContact CB-CB 3.86Å; W380-C383 WeakPolarHBondContact O-CA 3.39Å; W380-C383 WeakPolarHBondContact O-CB 3.24Å; W380-C383 PolarHBondContact O-N 3.47Å; E381-C383 PolarHBondContact O-N 2.89Å; C383-W385 VanDerWaalsContact SG-CD1 3.53Å; C383-H396 PolarHBondContact SG-NE2 2.83Å; C383-H400 PolarHBondContact SG-NE2 3.42Å
384G91.9Very high93Very high68 Ų6877.2 Ų77.270%0.70141%0.405SS*.  trans-90.213.8176.400000115.2
385W94.8Very high93.1Very high166 Ų16675.9 Ų75.963%0.62940%0.397SS*.  trans-77.3133.5-171.3-74.874.3000112.4C378 C383 F387 H396C378-W385 WeakPolarHBondContact CB-O 3.32Å; C378-W385 PolarHBondContact N-O 3.29Å; C383-W385 VanDerWaalsContact SG-CD1 3.53Å; W385-F387 HydrophobicContact CB-CE2 3.89Å; W385-F387 HydrophobicContact CB-CZ 3.85Å; W385-F387 HydrophobicContact CE3-CZ 4.31Å; W385-H396 AromaticContact CG-CE1 3.82Å
386K94.4Very high93.3Very high125 Ų12573.5 Ų73.554%0.54338%0.38SS..EExtended strand (participates in β ladder)trans-122.4146.3177-53.2-177.1-178.1-179.40111K374 Y376 H377K374-K386 HydrophobicContact CB-CB 3.63Å; K374-K386 HydrophobicContact CD-CB 4.09Å; K374-K386 WeakPolarHBondContact CD-O 3.42Å; K374-K386 HydrophobicContact CG-CB 4.47Å; Y376-K386 CarbonylContact O-C 3.6Å; Y376-K386 VanDerWaalsContact O-CA 3.32Å; Y376-K386 WeakPolarHBondContact O-CA 3.33Å; H377-K386 HydrophobicContact CB-CG 4.37Å
387F93.4Very high93.3Very high28 Ų2872 Ų7212%0.12337%0.374CS..EExtended strand (participates in β ladder)trans-129.4150.7-172.9-58.2-80.3000111.7K374 Y376 W385 E392 L393 H396K374-F387 CarbonylContact C-O 3.49Å; K374-F387 VanDerWaalsContact C-O 3.29Å; K374-F387 VanDerWaalsContact CA-O 3.24Å; K374-F387 WeakPolarHBondContact CA-O 3.4Å; Y376-F387 PolarHBondContact N-O 2.82Å; Y376-F387 VanDerWaalsContact N-O 3.11Å; Y376-F387 PolarHBondContact O-N 2.82Å; W385-F387 HydrophobicContact CB-CE2 3.89Å; W385-F387 HydrophobicContact CB-CZ 3.85Å; W385-F387 HydrophobicContact CE3-CZ 4.31Å; F387-E392 HydrophobicContact CB-CB 3.97Å; F387-E392 HydrophobicContact CD1-CB 3.81Å; F387-E392 HydrophobicContact CG-CB 4.08Å; F387-L393 HydrophobicContact CB-CB 4.43Å; F387-L393 HydrophobicContact CD2-CB 3.92Å; F387-L393 HydrophobicContact CD2-CD1 3.8Å; F387-L393 HydrophobicContact CD2-CG 4.49Å; F387-L393 HydrophobicContact CE2-CD1 4.03Å; F387-L393 HydrophobicContact CG-CB 4.37Å; F387-H396 HydrophobicContact CE1-CB 4.03Å; F387-H396 HydrophobicContact CE2-CB 3.66Å; F387-H396 AromaticContact CE2-CD2 3.53Å; F387-H396 AromaticContact CE2-CG 3.49Å; F387-H396 VanDerWaalsContact CE2-CG 3.49Å; F387-H396 HydrophobicContact CZ-CB 3.36Å; F387-H396 AromaticContact CZ-CD2 3.73Å; F387-H396 AromaticContact CZ-CE1 3.99Å; F387-H396 AromaticContact CZ-CG 3.22Å; F387-H396 AromaticContact CZ-ND1 3.44Å; F387-H396 WeakPolarHBondContact CZ-ND1 3.47Å
388A91.3Very high93.3Very high17 Ų1768.5 Ų68.514%0.1436%0.356CS..SBendtrans-83.6-18.6178.700000112.2R368 Y376 E392R368-A388 HydrophobicContact CB-CB 4.12Å; R368-A388 WeakPolarHBondContact CD-O 3.32Å; Y376-A388 WeakPolarHBondContact CE2-O 3.44Å; A388-E392 PolarHBondContact N-OE2 2.96Å
389R90.3Very high93.1Very high106 Ų10675.7 Ų75.740%0.439%0.386SS..SBendtrans-132.6152.2-178.6-59.9169.541.6150.9-0.3112.6A365 D391 E392 L393A365-R389 HydrophobicContact CB-CG 4.46Å; R389-D391 VanDerWaalsContact CB-OD1 3.23Å; R389-D391 WeakPolarHBondContact CB-OD1 3.32Å; R389-D391 IonicContact CZ-OD1 3.19Å; R389-D391 IonicContact CZ-OD2 3.44Å; R389-D391 IonicContact NE-OD1 2.75Å; R389-D391 PolarHBondContact NE-OD1 3.16Å; R389-D391 IonicContact NE-OD2 3.64Å; R389-D391 IonicContact NH2-OD1 2.82Å; R389-D391 PolarHBondContact NH2-OD1 3.04Å; R389-D391 IonicContact NH2-OD2 2.68Å; R389-D391 PolarHBondContact NH2-OD2 2.93Å; R389-E392 HydrophobicContact CB-CB 4.42Å; R389-E392 HydrophobicContact CB-CG 3.98Å; R389-E392 PolarHBondContact N-OE2 3.42Å; R389-E392 WeakPolarHBondContact O-CB 3.48Å; R389-E392 PolarHBondContact O-N 3.38Å; R389-L393 PolarHBondContact O-N 3.37Å
390S92Very high93.1Very high40 Ų4073.4 Ų73.428%0.2837%0.372SS..Hα-helixtrans-65.7-43.7179.452.80000112.7E392 L393 T394S390-E392 PolarHBondContact O-N 3.5Å; S390-L393 WeakPolarHBondContact O-CB 3.4Å; S390-L393 PolarHBondContact O-N 2.87Å; S390-L393 VanDerWaalsContact O-N 3.09Å; S390-T394 PolarHBondContact O-N 3.24Å; S390-T394 PolarHBondContact O-OG1 2.67Å
391D90.4Very high93.1Very high70 Ų7071 Ų7137%0.37437%0.37SS..Hα-helixtrans-64.8-28.917965.8-59.4000113R389 R395R389-D391 VanDerWaalsContact CB-OD1 3.23Å; R389-D391 WeakPolarHBondContact CB-OD1 3.32Å; R389-D391 IonicContact CZ-OD1 3.19Å; R389-D391 IonicContact CZ-OD2 3.44Å; R389-D391 IonicContact NE-OD1 2.75Å; R389-D391 PolarHBondContact NE-OD1 3.16Å; R389-D391 IonicContact NE-OD2 3.64Å; R389-D391 IonicContact NH2-OD1 2.82Å; R389-D391 PolarHBondContact NH2-OD1 3.04Å; R389-D391 IonicContact NH2-OD2 2.68Å; R389-D391 PolarHBondContact NH2-OD2 2.93Å; D391-R395 VanDerWaalsContact O-CB 3.29Å; D391-R395 WeakPolarHBondContact O-CB 3.23Å; D391-R395 PolarHBondContact O-N 3.41Å
392E93.6Very high93Very high51 Ų5164.6 Ų64.624%0.23835%0.353CS..Hα-helixtrans-67.6-42.6173-66.4174.3167.300111.3F387 A388 R389 S390 R395 H396F387-E392 HydrophobicContact CB-CB 3.97Å; F387-E392 HydrophobicContact CD1-CB 3.81Å; F387-E392 HydrophobicContact CG-CB 4.08Å; A388-E392 PolarHBondContact N-OE2 2.96Å; R389-E392 HydrophobicContact CB-CB 4.42Å; R389-E392 HydrophobicContact CB-CG 3.98Å; R389-E392 PolarHBondContact N-OE2 3.42Å; R389-E392 WeakPolarHBondContact O-CB 3.48Å; R389-E392 PolarHBondContact O-N 3.38Å; S390-E392 PolarHBondContact O-N 3.5Å; E392-R395 PolarHBondContact O-N 3.2Å; E392-H396 WeakPolarHBondContact O-CB 3.43Å; E392-H396 PolarHBondContact O-N 2.88Å
393L95.3Very high93.1Very high30 Ų3063.6 Ų63.616%0.15732%0.323CS..Hα-helixtrans-62.8-48.2174173.963.5000111H377 C378 F387 R389 S390 R395 H396 Y397H377-L393 WeakPolarHBondContact O-CD1 3.01Å; H377-L393 WeakPolarHBondContact O-CD2 3.49Å; C378-L393 HydrophobicContact CB-CD1 4.06Å; F387-L393 HydrophobicContact CB-CB 4.43Å; F387-L393 HydrophobicContact CD2-CB 3.92Å; F387-L393 HydrophobicContact CD2-CD1 3.8Å; F387-L393 HydrophobicContact CD2-CG 4.49Å; F387-L393 HydrophobicContact CE2-CD1 4.03Å; F387-L393 HydrophobicContact CG-CB 4.37Å; R389-L393 PolarHBondContact O-N 3.37Å; S390-L393 WeakPolarHBondContact O-CB 3.4Å; S390-L393 PolarHBondContact O-N 2.87Å; S390-L393 VanDerWaalsContact O-N 3.09Å; L393-R395 VanDerWaalsContact C-N 3.32Å; L393-R395 PolarHBondContact O-N 2.62Å; L393-H396 CarbonylContact O-C 3.46Å; L393-H396 WeakPolarHBondContact O-CA 3.33Å; L393-H396 WeakPolarHBondContact O-CB 3.38Å; L393-H396 PolarHBondContact O-N 3.3Å; L393-H396 VanDerWaalsContact O-N 3.07Å; L393-Y397 HydrophobicContact CD1-CD2 3.8Å; L393-Y397 HydrophobicContact CD1-CE2 4.05Å; L393-Y397 HydrophobicContact CG-CD2 4.18Å; L393-Y397 PolarHBondContact O-N 3.12Å
394T93.8Very high93.1Very high24 Ų2469.8 Ų69.815%0.14734%0.344CS..Hα-helixtrans-58.6-45.1177.9-53.90000111.4S390 H396 Y397 R398S390-T394 PolarHBondContact O-N 3.24Å; S390-T394 PolarHBondContact O-OG1 2.67Å; T394-H396 VanDerWaalsContact C-N 3.3Å; T394-H396 PolarHBondContact O-N 3.47Å; T394-Y397 WeakPolarHBondContact O-CB 3.26Å; T394-Y397 PolarHBondContact O-N 3.45Å; T394-R398 PolarHBondContact O-N 2.93Å
395R92.9Very high93.2Very high97 Ų9769.1 Ų69.137%0.36633%0.327SS..Hα-helixtrans-63.3-37.5175.9178.717962.4-174.9-4.3112.1D391 E392 L393 R417D391-R395 VanDerWaalsContact O-CB 3.29Å; D391-R395 WeakPolarHBondContact O-CB 3.23Å; D391-R395 PolarHBondContact O-N 3.41Å; E392-R395 PolarHBondContact O-N 3.2Å; L393-R395 VanDerWaalsContact C-N 3.32Å; L393-R395 PolarHBondContact O-N 2.62Å; R395-R417 HydrophobicContact CG-CG 4.21Å
396H94.7Very high93.2Very high15 Ų1564.1 Ų64.17%0.06931%0.31CS..Hα-helixtrans-66-42.6174.7170.383.3000111.4C378 C383 W385 F387 E392 L393 T394 R398 K399 H400C378-H396 VanDerWaalsContact SG-CD2 3.55Å; C378-H396 PolarHBondContact SG-NE2 2.81Å; C378-H396 VanDerWaalsContact SG-NE2 3.42Å; C383-H396 PolarHBondContact SG-NE2 2.83Å; W385-H396 AromaticContact CG-CE1 3.82Å; F387-H396 HydrophobicContact CE1-CB 4.03Å; F387-H396 HydrophobicContact CE2-CB 3.66Å; F387-H396 AromaticContact CE2-CD2 3.53Å; F387-H396 AromaticContact CE2-CG 3.49Å; F387-H396 VanDerWaalsContact CE2-CG 3.49Å; F387-H396 HydrophobicContact CZ-CB 3.36Å; F387-H396 AromaticContact CZ-CD2 3.73Å; F387-H396 AromaticContact CZ-CE1 3.99Å; F387-H396 AromaticContact CZ-CG 3.22Å; F387-H396 AromaticContact CZ-ND1 3.44Å; F387-H396 WeakPolarHBondContact CZ-ND1 3.47Å; E392-H396 WeakPolarHBondContact O-CB 3.43Å; E392-H396 PolarHBondContact O-N 2.88Å; L393-H396 CarbonylContact O-C 3.46Å; L393-H396 WeakPolarHBondContact O-CA 3.33Å; L393-H396 WeakPolarHBondContact O-CB 3.38Å; L393-H396 PolarHBondContact O-N 3.3Å; L393-H396 VanDerWaalsContact O-N 3.07Å; T394-H396 VanDerWaalsContact C-N 3.3Å; T394-H396 PolarHBondContact O-N 3.47Å; H396-R398 PolarHBondContact O-N 3.15Å; H396-K399 WeakPolarHBondContact O-CA 3.33Å; H396-K399 WeakPolarHBondContact O-CB 3.44Å; H396-K399 WeakPolarHBondContact O-CG 3.31Å; H396-K399 PolarHBondContact O-N 3.13Å; H396-H400 AromaticContact CD2-NE2 3.87Å; H396-H400 AromaticContact CE1-NE2 3.73Å; H396-H400 AromaticContact NE2-CD2 3.8Å; H396-H400 AromaticContact NE2-NE2 3.13Å; H396-H400 PolarHBondContact NE2-NE2 3.12Å; H396-H400 VanDerWaalsContact NE2-NE2 3.13Å
397Y93.8Very high93.3Very high41 Ų4164.6 Ų64.616%0.16131%0.314CS..Hα-helixtrans-56.7-35.7177.3-115-85000113.1I77 N379 W380 L393 T394 K399 H400 T401I77-Y397 HydrophobicContact CG2-CD1 4.06Å; I77-Y397 HydrophobicContact CG2-CE1 4.33Å; N379-Y397 WeakPolarHBondContact CA-OH 3.32Å; N379-Y397 WeakPolarHBondContact CB-OH 3.35Å; N379-Y397 PolarHBondContact N-OH 3.48Å; W380-Y397 HydrophobicContact CE3-CE1 4.03Å; W380-Y397 PolarHBondContact N-OH 3.41Å; L393-Y397 HydrophobicContact CD1-CD2 3.8Å; L393-Y397 HydrophobicContact CD1-CE2 4.05Å; L393-Y397 HydrophobicContact CG-CD2 4.18Å; L393-Y397 PolarHBondContact O-N 3.12Å; T394-Y397 WeakPolarHBondContact O-CB 3.26Å; T394-Y397 PolarHBondContact O-N 3.45Å; Y397-K399 PolarHBondContact O-N 3.35Å; Y397-K399 VanDerWaalsContact O-N 3.09Å; Y397-H400 WeakPolarHBondContact O-CB 3.49Å; Y397-H400 PolarHBondContact O-N 3.05Å; Y397-T401 PolarHBondContact O-N 2.84Å; Y397-T401 VanDerWaalsContact O-N 3.12Å; Y397-T401 PolarHBondContact O-OG1 2.91Å
398R94.9Very high93.5Very high35 Ų3563.5 Ų63.513%0.13231%0.31CS..Hα-helixtrans-59.7-19.7173.6-65.2-179.2-176.1160.50.2113.8D73 T394 H396 G402 H403 S416D73-R398 IonicContact OD2-CZ 3.79Å; D73-R398 IonicContact OD2-NH2 2.72Å; D73-R398 PolarHBondContact OD2-NH2 2.92Å; T394-R398 PolarHBondContact O-N 2.93Å; H396-R398 PolarHBondContact O-N 3.15Å; R398-G402 CarbonylContact O-C 3.29Å; R398-G402 WeakPolarHBondContact O-CA 3.4Å; R398-G402 PolarHBondContact O-N 3.13Å; R398-G402 VanDerWaalsContact O-N 3.09Å; R398-H403 HydrophobicContact CG-CB 4.33Å; R398-H403 PolarHBondContact O-N 3.4Å; R398-S416 WeakPolarHBondContact CD-O 3.39Å; R398-S416 PolarHBondContact NH1-O 3.35Å
399K92.4Very high93.7Very high162 Ų16270 Ų7070%0.70434%0.337SS*.Hα-helixtrans-74.2-33.3173.3-59.7-177.5176.4-173.60112H396 Y397H396-K399 WeakPolarHBondContact O-CA 3.33Å; H396-K399 WeakPolarHBondContact O-CB 3.44Å; H396-K399 WeakPolarHBondContact O-CG 3.31Å; H396-K399 PolarHBondContact O-N 3.13Å; Y397-K399 PolarHBondContact O-N 3.35Å; Y397-K399 VanDerWaalsContact O-N 3.09Å
400H92.9Very high93.9Very high55 Ų5569.7 Ų69.726%0.25534%0.343SS..Hα-helixtrans-76-46.6177-67.9-64.2000111.4C378 W380 C383 H396 Y397 G402C378-H400 PolarHBondContact SG-NE2 3.46Å; W380-H400 AromaticContact CD1-CE1 3.66Å; W380-H400 AromaticContact CD1-CG 3.98Å; W380-H400 AromaticContact CD1-ND1 3.4Å; W380-H400 HydrophobicContact CD2-CB 3.42Å; W380-H400 VanDerWaalsContact CD2-CB 3.42Å; W380-H400 AromaticContact CD2-CG 3.49Å; W380-H400 VanDerWaalsContact CD2-CG 3.49Å; W380-H400 AromaticContact CD2-ND1 3.69Å; W380-H400 AromaticContact CE2-CG 3.94Å; W380-H400 AromaticContact CE2-ND1 3.82Å; W380-H400 HydrophobicContact CE3-CB 3.36Å; W380-H400 AromaticContact CE3-CG 3.85Å; W380-H400 HydrophobicContact CG-CB 4.04Å; W380-H400 AromaticContact CG-CD2 3.84Å; W380-H400 AromaticContact CG-CE1 3.68Å; W380-H400 AromaticContact CG-CG 3.53Å; W380-H400 AromaticContact CG-ND1 3.42Å; W380-H400 AromaticContact CG-NE2 3.96Å; W380-H400 HydrophobicContact CH2-CB 3.88Å; W380-H400 HydrophobicContact CZ2-CB 3.95Å; W380-H400 HydrophobicContact CZ3-CB 3.6Å; W380-H400 AromaticContact NE1-ND1 3.65Å; C383-H400 PolarHBondContact SG-NE2 3.42Å; H396-H400 AromaticContact CD2-NE2 3.87Å; H396-H400 AromaticContact CE1-NE2 3.73Å; H396-H400 AromaticContact NE2-CD2 3.8Å; H396-H400 AromaticContact NE2-NE2 3.13Å; H396-H400 PolarHBondContact NE2-NE2 3.12Å; H396-H400 VanDerWaalsContact NE2-NE2 3.13Å; Y397-H400 WeakPolarHBondContact O-CB 3.49Å; Y397-H400 PolarHBondContact O-N 3.05Å; H400-G402 VanDerWaalsContact C-N 3.31Å; H400-G402 PolarHBondContact O-N 3.24Å
401T93Very high94.2Very high62 Ų6269.7 Ų69.738%0.3834%0.343SS..Hα-helixtrans-80.4-12-177.261.10000113.7W380 Y397 H403W380-T401 HydrophobicContact CZ3-CG2 4.05Å; Y397-T401 PolarHBondContact O-N 2.84Å; Y397-T401 VanDerWaalsContact O-N 3.12Å; Y397-T401 PolarHBondContact O-OG1 2.91Å; T401-H403 PolarHBondContact O-N 3.05Å; T401-H403 VanDerWaalsContact O-N 3.16Å; T401-H403 VanDerWaalsContact OG1-CB 3.29Å; T401-H403 WeakPolarHBondContact OG1-CB 3.3Å; T401-H403 PolarHBondContact OG1-N 3.31Å
402G92.4Very high94.3Very high50 Ų5075.1 Ų75.152%0.51537%0.366SS..  trans65.610.8-171.300000113.9R398 H400 R404R398-G402 CarbonylContact O-C 3.29Å; R398-G402 WeakPolarHBondContact O-CA 3.4Å; R398-G402 PolarHBondContact O-N 3.13Å; R398-G402 VanDerWaalsContact O-N 3.09Å; H400-G402 VanDerWaalsContact C-N 3.31Å; H400-G402 PolarHBondContact O-N 3.24Å; G402-R404 WeakPolarHBondContact O-CG 3.46Å; G402-R404 PolarHBondContact O-N 3.27Å
403H93.8Very high94.4Very high73 Ų7379.7 Ų79.734%0.33838%0.381SS..  trans-63.5124-174.2-177.2-129.5000112R398 T401 S416R398-H403 HydrophobicContact CG-CB 4.33Å; R398-H403 PolarHBondContact O-N 3.4Å; T401-H403 PolarHBondContact O-N 3.05Å; T401-H403 VanDerWaalsContact O-N 3.16Å; T401-H403 VanDerWaalsContact OG1-CB 3.29Å; T401-H403 WeakPolarHBondContact OG1-CB 3.3Å; T401-H403 PolarHBondContact OG1-N 3.31Å; H403-S416 WeakPolarHBondContact O-CB 3.4Å
404R93.9Very high94.5Very high151 Ų15179.3 Ų79.357%0.5738%0.382SS*.  trans-128.678.3-175.4-74.7175.2148-159.2-5.8111.4G402 F406 A414 F415G402-R404 WeakPolarHBondContact O-CG 3.46Å; G402-R404 PolarHBondContact O-N 3.27Å; R404-F406 PolarHBondContact O-N 3.14Å; R404-A414 HydrophobicContact CB-CB 3.88Å; R404-A414 WeakPolarHBondContact CD-O 3.37Å; R404-A414 PolarHBondContact NE-O 3.24Å; R404-A414 PolarHBondContact NH1-O 3.42Å; R404-F415 CarbonylContact C-O 3.56Å; R404-F415 WeakPolarHBondContact CA-O 3.29Å
405P92.9Very high94.5Very high53 Ų5379.7 Ų79.734%0.34438%0.381SS..  trans-73-13-174.427.1-33.1000114.1
406F96Very high94.6Very high62 Ų6276.6 Ų76.627%0.27238%0.375SS..EExtended strand (participates in β ladder)trans-102.794.5-174.3-57.1-76.6000111.4R404 A414 F415 L421R404-F406 PolarHBondContact O-N 3.14Å; F406-A414 CarbonylContact O-C 3.55Å; F406-A414 WeakPolarHBondContact O-CA 3.47Å; F406-F415 HydrophobicContact CB-CB 4.3Å; F406-F415 WeakPolarHBondContact CB-O 3.45Å; F406-F415 WeakPolarHBondContact CD2-O 3.3Å; F406-F415 PolarHBondContact N-O 3.35Å; F406-F415 PolarHBondContact O-N 3.36Å; F406-L421 HydrophobicContact CB-CB 4.18Å; F406-L421 HydrophobicContact CB-CD2 3.99Å
407Q96.3Very high94.6Very high134 Ų13479.2 Ų79.263%0.62638%0.384SS*.EExtended strand (participates in β ladder)trans-89.1139.5177.9-167.2167.1-0.200112A414Q407-A414 HydrophobicContact CB-CB 4.49Å
408C97.3Very high94.7Very high6 Ų680.7 Ų80.74%0.04140%0.4CS..  trans-73.3139.9168.7-175.60000109.8L410 C411 R413 L421 H428C408-L410 PolarHBondContact SG-N 3.47Å; C408-L410 VanDerWaalsContact SG-N 3.43Å; C408-C411 CarbonylContact C-O 3.51Å; C408-C411 WeakPolarHBondContact CB-O 3.44Å; C408-R413 VanDerWaalsContact CB-O 3.32Å; C408-R413 WeakPolarHBondContact CB-O 3.43Å; C408-R413 PolarHBondContact N-O 3.24Å; C408-L421 HydrophobicContact CB-CD1 3.87Å; C408-H428 PolarHBondContact SG-NE2 2.96Å
409H95.3Very high94.7Very high152 Ų15282 Ų8270%0.70441%0.41SS*.SBendtrans-90.3-11.7177.760.5-85.2000113M425H409-M425 WeakPolarHBondContact CE1-CE 3.27Å
410L95.4Very high94.9Very high101 Ų10177.9 Ų77.953%0.52939%0.393SS..SBendtrans-99-16.8179-58.9177.8000112.5C408 M425 H428C408-L410 PolarHBondContact SG-N 3.47Å; C408-L410 VanDerWaalsContact SG-N 3.43Å; L410-M425 HydrophobicContact CD1-CE 3.56Å; L410-M425 HydrophobicContact CG-CE 4.07Å; L410-H428 HydrophobicContact CD1-CB 3.46Å; L410-H428 VanDerWaalsContact CD1-CB 3.46Å
411C96.3Very high95.1Very high40 Ų4076.8 Ų76.827%0.2739%0.389SS..SBendtrans-152.6168.7173.273.40000110.9C408 R413 H424 H428C408-C411 CarbonylContact C-O 3.51Å; C408-C411 WeakPolarHBondContact CB-O 3.44Å; C411-R413 PolarHBondContact O-N 3.44Å; C411-H424 PolarHBondContact SG-NE2 3.07Å; C411-H428 PolarHBondContact SG-NE2 3.2Å
412E94.4Very high95.2Very high184 Ų18476.4 Ų76.486%0.8639%0.392SS*.SBendtrans-75.79.1-174.3-60.8177.6176.300114.6A414E412-A414 PolarHBondContact O-N 3.21Å
413R95.4Very high95.4Very high146 Ų14679 Ų7955%0.55139%0.394SS*.  trans-76.9127.5-178.8-71.9-176.8167.6174.5-2.5111.4C408 C411 F415C408-R413 VanDerWaalsContact CB-O 3.32Å; C408-R413 WeakPolarHBondContact CB-O 3.43Å; C408-R413 PolarHBondContact N-O 3.24Å; C411-R413 PolarHBondContact O-N 3.44Å; R413-F415 HydrophobicContact CB-CE2 3.9Å; R413-F415 HydrophobicContact CB-CZ 3.92Å
414A96.1Very high95.5Very high22 Ų2275.9 Ų75.918%0.18238%0.379CS..EExtended strand (participates in β ladder)trans-110.9149.9171.900000112.4R404 F406 Q407 E412R404-A414 HydrophobicContact CB-CB 3.88Å; R404-A414 WeakPolarHBondContact CD-O 3.37Å; R404-A414 PolarHBondContact NE-O 3.24Å; R404-A414 PolarHBondContact NH1-O 3.42Å; F406-A414 CarbonylContact O-C 3.55Å; F406-A414 WeakPolarHBondContact O-CA 3.47Å; Q407-A414 HydrophobicContact CB-CB 4.49Å; E412-A414 PolarHBondContact O-N 3.21Å
415F95.4Very high95.7Very high32 Ų3270.5 Ų70.514%0.1436%0.361CS..EExtended strand (participates in β ladder)trans-129.8148.6-174.2-57.3-88.8000110.9R404 F406 R413 R417 H420 L421 H424R404-F415 CarbonylContact C-O 3.56Å; R404-F415 WeakPolarHBondContact CA-O 3.29Å; F406-F415 HydrophobicContact CB-CB 4.3Å; F406-F415 WeakPolarHBondContact CB-O 3.45Å; F406-F415 WeakPolarHBondContact CD2-O 3.3Å; F406-F415 PolarHBondContact N-O 3.35Å; F406-F415 PolarHBondContact O-N 3.36Å; R413-F415 HydrophobicContact CB-CE2 3.9Å; R413-F415 HydrophobicContact CB-CZ 3.92Å; F415-R417 VanDerWaalsContact C-N 3.29Å; F415-H420 HydrophobicContact CB-CB 4.15Å; F415-H420 HydrophobicContact CD1-CB 3.88Å; F415-H420 HydrophobicContact CG-CB 4.25Å; F415-L421 HydrophobicContact CB-CB 4.43Å; F415-L421 HydrophobicContact CD2-CB 3.92Å; F415-L421 HydrophobicContact CD2-CD1 3.84Å; F415-L421 HydrophobicContact CD2-CG 4.48Å; F415-L421 HydrophobicContact CE2-CD1 3.95Å; F415-L421 HydrophobicContact CG-CB 4.33Å; F415-H424 HydrophobicContact CE1-CB 4Å; F415-H424 HydrophobicContact CE2-CB 3.86Å; F415-H424 AromaticContact CE2-CD2 3.32Å; F415-H424 WeakPolarHBondContact CE2-CD2 3.29Å; F415-H424 AromaticContact CE2-CG 3.66Å; F415-H424 HydrophobicContact CZ-CB 3.41Å; F415-H424 VanDerWaalsContact CZ-CB 3.41Å; F415-H424 AromaticContact CZ-CD2 3.4Å; F415-H424 WeakPolarHBondContact CZ-CD2 3.35Å; F415-H424 AromaticContact CZ-CG 3.26Å; F415-H424 AromaticContact CZ-ND1 3.97Å
416S94.6Very high95.8Very high32 Ų3274.5 Ų74.522%0.22437%0.373CS..SBendtrans-81.4-9.6176.656.60000113.4R398 H403R398-S416 WeakPolarHBondContact CD-O 3.39Å; R398-S416 PolarHBondContact NH1-O 3.35Å; H403-S416 WeakPolarHBondContact O-CB 3.4Å
417R94.4Very high95.8Very high71 Ų7180.2 Ų80.227%0.26839%0.393SS..SBendtrans-140.5145.7-179.1-56.4160.854.9161.1-2.4111.6R395 F415 D419 H420 L421R395-R417 HydrophobicContact CG-CG 4.21Å; F415-R417 VanDerWaalsContact C-N 3.29Å; R417-D419 WeakPolarHBondContact CB-OD1 3.17Å; R417-D419 IonicContact CZ-OD1 3.65Å; R417-D419 IonicContact CZ-OD2 3.39Å; R417-D419 IonicContact NE-OD1 2.94Å; R417-D419 PolarHBondContact NE-OD1 3.02Å; R417-D419 IonicContact NE-OD2 3.5Å; R417-D419 PolarHBondContact NE-OD2 3.48Å; R417-D419 IonicContact NH2-OD1 3.58Å; R417-D419 IonicContact NH2-OD2 2.67Å; R417-D419 PolarHBondContact NH2-OD2 3.14Å; R417-H420 HydrophobicContact CB-CB 4.45Å; R417-H420 WeakPolarHBondContact CD-NE2 3.41Å; R417-H420 PolarHBondContact NE-NE2 3.18Å; R417-H420 PolarHBondContact O-N 2.78Å; R417-L421 PolarHBondContact O-N 2.94Å
418S95.7Very high95.6Very high71 Ų7177.5 Ų77.550%0.49738%0.38SS..Hα-helixtrans-69.4-34.3-178.955.90000113.2H420 L421 A422S418-H420 VanDerWaalsContact C-N 3.3Å; S418-H420 PolarHBondContact O-N 3.16Å; S418-L421 WeakPolarHBondContact O-CB 3.33Å; S418-L421 PolarHBondContact O-N 2.72Å; S418-A422 PolarHBondContact O-N 2.67Å
419D95.3Very high95.1Very high64 Ų6487.3 Ų87.334%0.34243%0.428SS..Hα-helixtrans-66.2-34.7176.963.1-41.3000111.9R417 A422 L423R417-D419 WeakPolarHBondContact CB-OD1 3.17Å; R417-D419 IonicContact CZ-OD1 3.65Å; R417-D419 IonicContact CZ-OD2 3.39Å; R417-D419 IonicContact NE-OD1 2.94Å; R417-D419 PolarHBondContact NE-OD1 3.02Å; R417-D419 IonicContact NE-OD2 3.5Å; R417-D419 PolarHBondContact NE-OD2 3.48Å; R417-D419 IonicContact NH2-OD1 3.58Å; R417-D419 IonicContact NH2-OD2 2.67Å; R417-D419 PolarHBondContact NH2-OD2 3.14Å; D419-A422 PolarHBondContact O-N 2.78Å; D419-L423 WeakPolarHBondContact O-CG 3.37Å; D419-L423 PolarHBondContact O-N 2.83Å
420H95.9Very high95.1Very high74 Ų7484.1 Ų84.134%0.34341%0.414SS..Hα-helixtrans-66.5-41.7172.8-68.1-162.4000111.6F415 R417 S418 L423 H424F415-H420 HydrophobicContact CB-CB 4.15Å; F415-H420 HydrophobicContact CD1-CB 3.88Å; F415-H420 HydrophobicContact CG-CB 4.25Å; R417-H420 HydrophobicContact CB-CB 4.45Å; R417-H420 WeakPolarHBondContact CD-NE2 3.41Å; R417-H420 PolarHBondContact NE-NE2 3.18Å; R417-H420 PolarHBondContact O-N 2.78Å; S418-H420 VanDerWaalsContact C-N 3.3Å; S418-H420 PolarHBondContact O-N 3.16Å; H420-L423 PolarHBondContact O-N 2.91Å; H420-H424 WeakPolarHBondContact O-CB 3.38Å; H420-H424 PolarHBondContact O-N 2.83Å
421L96.6Very high95.1Very high32 Ų3283.2 Ų83.217%0.16841%0.408CS..Hα-helixtrans-61-47.2172.4173.662.3000110.5F406 C408 F415 R417 S418 L423 H424 M425F406-L421 HydrophobicContact CB-CB 4.18Å; F406-L421 HydrophobicContact CB-CD2 3.99Å; C408-L421 HydrophobicContact CB-CD1 3.87Å; F415-L421 HydrophobicContact CB-CB 4.43Å; F415-L421 HydrophobicContact CD2-CB 3.92Å; F415-L421 HydrophobicContact CD2-CD1 3.84Å; F415-L421 HydrophobicContact CD2-CG 4.48Å; F415-L421 HydrophobicContact CE2-CD1 3.95Å; F415-L421 HydrophobicContact CG-CB 4.33Å; R417-L421 PolarHBondContact O-N 2.94Å; S418-L421 WeakPolarHBondContact O-CB 3.33Å; S418-L421 PolarHBondContact O-N 2.72Å; L421-L423 VanDerWaalsContact C-N 3.35Å; L421-L423 PolarHBondContact O-N 3.13Å; L421-H424 CarbonylContact O-C 3.52Å; L421-H424 WeakPolarHBondContact O-CA 3.42Å; L421-H424 WeakPolarHBondContact O-CB 3.37Å; L421-H424 PolarHBondContact O-N 2.89Å; L421-M425 HydrophobicContact CD1-CG 4.18Å; L421-M425 HydrophobicContact CD1-SD 4.01Å; L421-M425 HydrophobicContact CG-CG 4.37Å; L421-M425 WeakPolarHBondContact O-CG 3.42Å; L421-M425 PolarHBondContact O-N 2.78Å
422A96.3Very high95Very high55 Ų5585.6 Ų85.646%0.45542%0.415SS..Hα-helixtrans-60.1-41.8-179.900000112.8S418 D419 H424 M425S418-A422 PolarHBondContact O-N 2.67Å; D419-A422 PolarHBondContact O-N 2.78Å; A422-H424 VanDerWaalsContact C-N 3.34Å; A422-M425 PolarHBondContact O-N 3.43Å
423L96.8Very high95Very high104 Ų10479.8 Ų79.855%0.54539%0.389SS..Hα-helixtrans-66.2-37.4172.9-72.2173.6000112.1D419 H420 L421 K426D419-L423 WeakPolarHBondContact O-CG 3.37Å; D419-L423 PolarHBondContact O-N 2.83Å; H420-L423 PolarHBondContact O-N 2.91Å; L421-L423 VanDerWaalsContact C-N 3.35Å; L421-L423 PolarHBondContact O-N 3.13Å; L423-K426 HydrophobicContact CD2-CD 4.48Å; L423-K426 WeakPolarHBondContact O-CB 3.38Å; L423-K426 PolarHBondContact O-N 2.9Å
424H96.4Very high95Very high7 Ų775.6 Ų75.63%0.03238%0.379CS..Hα-helixtrans-64.9-39.8175.2170.454.8000112.3C411 F415 H420 L421 A422 K426 R427 H428C411-H424 PolarHBondContact SG-NE2 3.07Å; F415-H424 HydrophobicContact CE1-CB 4Å; F415-H424 HydrophobicContact CE2-CB 3.86Å; F415-H424 AromaticContact CE2-CD2 3.32Å; F415-H424 WeakPolarHBondContact CE2-CD2 3.29Å; F415-H424 AromaticContact CE2-CG 3.66Å; F415-H424 HydrophobicContact CZ-CB 3.41Å; F415-H424 VanDerWaalsContact CZ-CB 3.41Å; F415-H424 AromaticContact CZ-CD2 3.4Å; F415-H424 WeakPolarHBondContact CZ-CD2 3.35Å; F415-H424 AromaticContact CZ-CG 3.26Å; F415-H424 AromaticContact CZ-ND1 3.97Å; H420-H424 WeakPolarHBondContact O-CB 3.38Å; H420-H424 PolarHBondContact O-N 2.83Å; L421-H424 CarbonylContact O-C 3.52Å; L421-H424 WeakPolarHBondContact O-CA 3.42Å; L421-H424 WeakPolarHBondContact O-CB 3.37Å; L421-H424 PolarHBondContact O-N 2.89Å; A422-H424 VanDerWaalsContact C-N 3.34Å; H424-K426 PolarHBondContact O-N 2.8Å; H424-K426 VanDerWaalsContact O-N 3.16Å; H424-R427 VanDerWaalsContact O-CB 3.29Å; H424-R427 WeakPolarHBondContact O-CB 3.24Å; H424-R427 PolarHBondContact O-N 3.31Å; H424-H428 AromaticContact CD2-NE2 3.99Å; H424-H428 AromaticContact CE1-CD2 3.99Å; H424-H428 AromaticContact CE1-NE2 3.29Å; H424-H428 PolarHBondContact CE1-NE2 2.7Å; H424-H428 VanDerWaalsContact CE1-NE2 3.29Å; H424-H428 AromaticContact NE2-CD2 3.76Å; H424-H428 AromaticContact NE2-NE2 3.04Å; H424-H428 PolarHBondContact NE2-NE2 2.68Å
425M96.2Very high95Very high38 Ų3879.2 Ų79.219%0.18739%0.392CS..Hα-helixtrans-57.9-29.4178.8-69.6-52-57.200112.6H409 L410 L421 A422 R427 H428H409-M425 WeakPolarHBondContact CE1-CE 3.27Å; L410-M425 HydrophobicContact CD1-CE 3.56Å; L410-M425 HydrophobicContact CG-CE 4.07Å; L421-M425 HydrophobicContact CD1-CG 4.18Å; L421-M425 HydrophobicContact CD1-SD 4.01Å; L421-M425 HydrophobicContact CG-CG 4.37Å; L421-M425 WeakPolarHBondContact O-CG 3.42Å; L421-M425 PolarHBondContact O-N 2.78Å; A422-M425 PolarHBondContact O-N 3.43Å; M425-R427 PolarHBondContact O-N 2.8Å; M425-R427 VanDerWaalsContact O-N 3.13Å; M425-H428 PolarHBondContact O-N 2.97Å
426K96.6Very high94.9Very high137 Ų13782.6 Ų82.660%0.59641%0.41SS*.THydrogen-bonded Turntrans-64.4-12.8174.5-60.1-176.9178.7-175.70114.2L423 H424L423-K426 HydrophobicContact CD2-CD 4.48Å; L423-K426 WeakPolarHBondContact O-CB 3.38Å; L423-K426 PolarHBondContact O-N 2.9Å; H424-K426 PolarHBondContact O-N 2.8Å; H424-K426 VanDerWaalsContact O-N 3.16Å
427R94.7Very high95Very high182 Ų18286.5 Ų86.569%0.68743%0.425SS*.THydrogen-bonded Turntrans-86.7-12.1175.6-59178.1176.9165-3.7112.7H424 M425H424-R427 VanDerWaalsContact O-CB 3.29Å; H424-R427 WeakPolarHBondContact O-CB 3.24Å; H424-R427 PolarHBondContact O-N 3.31Å; M425-R427 PolarHBondContact O-N 2.8Å; M425-R427 VanDerWaalsContact O-N 3.13Å
428H92.1Very high95Very high77 Ų7787.8 Ų87.836%0.35644%0.438SS..  trans-102.8-0.7175.4-60.9-64.6000112.4C408 L410 C411 H424 M425C408-H428 PolarHBondContact SG-NE2 2.96Å; L410-H428 HydrophobicContact CD1-CB 3.46Å; L410-H428 VanDerWaalsContact CD1-CB 3.46Å; C411-H428 PolarHBondContact SG-NE2 3.2Å; H424-H428 AromaticContact CD2-NE2 3.99Å; H424-H428 AromaticContact CE1-CD2 3.99Å; H424-H428 AromaticContact CE1-NE2 3.29Å; H424-H428 PolarHBondContact CE1-NE2 2.7Å; H424-H428 VanDerWaalsContact CE1-NE2 3.29Å; H424-H428 AromaticContact NE2-CD2 3.76Å; H424-H428 AromaticContact NE2-NE2 3.04Å; H424-H428 PolarHBondContact NE2-NE2 2.68Å; M425-H428 PolarHBondContact O-N 2.97Å
429M87.6Confident94.9Very high212 Ų21289.3 Ų89.3100%1.04443%0.432SS*.  trans-99.90170.3-64.9-177.9145.900107.6

Retrieved 429 of 429 residues in 383.8 ms (Link to these results)