A0A060X8V2_ONCMY Loading...

Proteasome subunit beta

Component of the 20S core proteasome complex involved in the proteolytic degradation of most intracellular proteins. This complex plays numerous essential roles within the cell by associating with different regulatory particles. Associated with two 19S regulatory particles, forms the 26S proteasome and thus participates in the ATP-dependent degradation of ubiquitinated proteins. The 26S proteasome plays a key role in the maintenance of protein homeostasis by removing misfolded or damaged proteins that could impair cellular functions, and by removing proteins whose functions are no longer required. Associated with the PA200 or PA28, the 20S proteasome mediates ubiquitin-independent protein degradation. This type of proteolysis is required in several pathways including spermatogenesis (20S-PA200 complex) or generation of a subset of MHC class I-presented antigenic peptides (20S-PA28 complex). Within the 20S core complex, PSMB5 displays a chymotrypsin-like activity. Component of the proteasome, a multicatalytic proteinase complex which is characterized by its ability to cleave peptides with Arg, Phe, Tyr, Leu, and Glu adjacent to the leaving group at neutral or slightly basic pH. The proteasome has an ATP-dependent proteolytic activity. The proteasome is a multicatalytic proteinase complex which is characterized by its ability to cleave peptides with Arg, Phe, Tyr, Leu, and Glu adjacent to the leaving group at neutral or slightly basic pH. The proteasome has an ATP-dependent proteolytic activity. This subunit is involved in antigen processing to generate class I binding peptides.

AlphaFold DB , UniProt , Accession A0A060X8V2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110524524, Length 271 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
1M39.3Very low34.3Very low253 Ų253147.3 Ų147.3100%1.24686%0.864SS**  079.30-72.4-165.1-163.800110
2A33.1Very low34.4Very low97 Ų97145.1 Ų145.180%0.80285%0.854SS**  trans-153.138.1175.800000111.4
3L31.1Very low33.9Very low170 Ų170145.6 Ų145.689%0.8985%0.85SS**SBendtrans-130.65.3-178.4-90.7166.2000113.9
4A30.8Very low33.7Very low96 Ų96149.4 Ų149.479%0.79385%0.852SS**SBendtrans-96.2-12.8-174.800000114.9
5S33.2Very low33.3Very low109 Ų109145.5 Ų145.576%0.76284%0.838SS**SBendtrans-95.6-1.9-169.565.90000116
6V38.8Very low33.4Very low130 Ų130145.9 Ų145.979%0.78884%0.836SS**SBendtrans-93.2-1.4-174.1-175.30000112.8
7L35.7Very low33.3Very low162 Ų162152.2 Ų152.285%0.84885%0.845SS**SBendtrans-11515.1-172.5-70.7176.9000115.9
8Q30.7Very low33Very low182 Ų182147.5 Ų147.585%0.8584%0.837SS**  trans-103.7113.5168.5-77.9179.2-25.100110.7E10Q8-E10 PolarHBondContact O-N 2.64Å
9S38Very low32.8Very low118 Ų118152.6 Ų152.683%0.82584%0.841SS**  trans-72.4106172.9530000110.4
10E34.1Very low32.5Very low179 Ų179154.8 Ų154.884%0.83685%0.845SS**  trans-132.7133.8159.2-72.9-171.3160.700109.7Q8Q8-E10 PolarHBondContact O-N 2.64Å
11S32.8Very low32.3Very low124 Ų124158.5 Ų158.587%0.86785%0.847SS**PPolyproline II helixtrans-61.2125.2-178.1450000112.2
12V35.7Very low31.7Very low121 Ų121156 Ų15673%0.73383%0.831SS**PPolyproline II helixtrans-91.3117.9175.7-179.20000110
13D27.6Very low31.3Very low152 Ų152154.9 Ų154.981%0.81383%0.83SS**PPolyproline II helixtrans-84.3128.1178.1-123.7-17.9000111.3S15D13-S15 PolarHBondContact O-N 3.28Å
14F31.4Very low31Very low199 Ų199157.1 Ų157.187%0.87383%0.833SS**  trans-100.457.1-169.9-91.4-86.1000113.5
15S27.6Very low30.7Very low91 Ų91157.5 Ų157.564%0.63684%0.836SS**  trans-115.4-1.1-175.158.90000117.3D13D13-S15 PolarHBondContact O-N 3.28Å
16N34.4Very low30.5Very low151 Ų151158.3 Ų158.381%0.80784%0.841SS**  trans-145.675-175.4-86.5-43.2000115.5
17Y31.8Very low29.8Very low254 Ų254156 Ų156100%0.99684%0.844SS**  trans-117.186.7157.3-103.9-90.1000110.2
18G27.1Very low29.2Very low67 Ų67154.5 Ų154.569%0.69184%0.836SS**  trans-143.5119171.800000110.6
19R29.1Very low29Very low244 Ų244155.5 Ų155.592%0.92183%0.834SS**  trans72.8114.3169.7-61.3179176.1-176.2-1.5117.1
20Q27.3Very low28.3Very low197 Ų197158.9 Ų158.992%0.92184%0.836SS**  -168.6132.9102-100.3172.5-8.100111.4
21R27.8Very low28.1Very low233 Ų233155 Ų15588%0.87984%0.835SS**  trans-91.5157.1166.4-74.3179.2167.9-179.2-4.2108.9
22H27.3Very low27.7Very low199 Ų199158.3 Ų158.392%0.92184%0.837SS**  trans159.2142.4140.9-86.838.1000106
23G24.7Very low27.3Very low75 Ų75160.9 Ų160.977%0.77385%0.846SS**  cis159.2147.913.400000106.8
24F24.3Very low27.1Very low216 Ų216157.4 Ų157.495%0.94785%0.846SS**  trans-64.7157.9-170.8-83-112.1000116.3
25A26.2Very low26.9Very low105 Ų105154.9 Ų154.987%0.86884%0.84SS**  trans-169.8135.7131.100000113.8
26S27.5Very low26.8Very low125 Ų125158.3 Ų158.387%0.87485%0.846SS**  trans-88.9151172.651.90000112.6
27G23.9Very low26.4Very low82 Ų82157 Ų15785%0.84585%0.849SS**  trans-167.1122.9166.700000112.9
28L24.6Very low26.6Very low130 Ų130151.7 Ų151.768%0.68184%0.843SS**  trans-90.2175173.4-79.9157.6000110.8
29Y25.6Very low26.7Very low203 Ų203152.1 Ų152.180%0.79685%0.847SS**  trans71.2137.1167.6-13.3-79.5000114.7
30E24.7Very low26.7Very low189 Ų189143.7 Ų143.788%0.88384%0.836SS**  cis-167.2151.938.8-162.3159.8-154.900109.9
31A29Very low27.2Very low98 Ų98142.8 Ų142.881%0.8184%0.838SS**  trans-92.5130177.100000110.2
32E25.2Very low27.4Very low194 Ų194142.5 Ų142.591%0.90784%0.837SS**  trans-126.8122165.1-88.2-169148.800111.7
33L25.6Very low27.8Very low175 Ų175141.9 Ų141.992%0.91684%0.839SS**  trans-76.2133.6167.3-81.7138000109.8
34G25.1Very low28.1Very low79 Ų79143.2 Ų143.281%0.81484%0.837SS**  trans-140.3115.3166.800000111
35L25.6Very low28.6Very low145 Ų145142 Ų14276%0.75983%0.831SS**  trans-83.6138.2-179.8-116.790.8000112.5
36E26.5Very low28.9Very low164 Ų164140.9 Ų140.977%0.76682%0.822SS**  trans61.1125.2143.8-64.6-175168.900123.5
37S25.7Very low29.2Very low122 Ų122141 Ų14185%0.85381%0.812SS**  -147135.9123.486.30000111.4
38V35.4Very low29.5Very low143 Ų143142.5 Ų142.587%0.86781%0.81SS**  trans-90.4133.5178.7173.90000109.3
39G28.8Very low30Very low77 Ų77140.8 Ų140.879%0.79481%0.805SS**  trans140.5107.6158.500000114.9
40G29.2Very low30.3Very low67 Ų67136.4 Ų136.469%0.69180%0.804SS**  trans146.5102.8162.400000113.1R42G40-R42 PolarHBondContact O-N 2.71Å
41D39.1Very low30.7Very low177 Ų177131.4 Ų131.495%0.94779%0.789SS**  trans-42.9108.7168.8-78.6-34.6000111.4
42R31.6Very low30.8Very low227 Ų227131.9 Ų131.986%0.85779%0.787SS**  trans-123.8107.5164.2-74.5-173.7167.3-176.4-2.6106.5G40 S44G40-R42 PolarHBondContact O-N 2.71Å; R42-S44 VanDerWaalsContact C-N 3.29Å; R42-S44 PolarHBondContact O-N 3.19Å
43L35.4Very low31.7Very low186 Ų186130.2 Ų130.297%0.97478%0.784SS**  trans-50.598.9162.7-78.6161.3000107.8F45L43-F45 PolarHBondContact O-N 2.95Å
44S30.2Very low32.4Very low103 Ų103130.7 Ų130.772%0.7278%0.781SS**  trans-73.7112.3171.149.60000106.7R42 A46R42-S44 VanDerWaalsContact C-N 3.29Å; R42-S44 PolarHBondContact O-N 3.19Å; S44-A46 PolarHBondContact O-N 2.76Å
45F35.6Very low33.4Very low191 Ų191135 Ų13584%0.83879%0.785SS**  trans-7274.6160-164.7-91.2000106.9L43 L47L43-F45 PolarHBondContact O-N 2.95Å; F45-L47 VanDerWaalsContact C-N 3.32Å; F45-L47 HydrophobicContact CE1-CD1 4.24Å; F45-L47 PolarHBondContact O-N 3.35Å
46A33.1Very low34.3Very low82 Ų82131.6 Ų131.668%0.67879%0.786SS**  trans-70.596.4169.600000106.6S44 S48S44-A46 PolarHBondContact O-N 2.76Å; A46-S48 PolarHBondContact O-N 3.29Å
47L33.1Very low35.3Very low127 Ų127129.6 Ų129.667%0.66579%0.787SS**  trans-56.8110.1156.9-164.582.5000105.2F45 T49F45-L47 VanDerWaalsContact C-N 3.32Å; F45-L47 HydrophobicContact CE1-CD1 4.24Å; F45-L47 PolarHBondContact O-N 3.35Å; L47-T49 PolarHBondContact O-N 3.49Å
48S30.6Very low36.5Very low113 Ų113130.5 Ų130.579%0.7978%0.782SS**  trans-6779.3169.961.60000107.6A46 S50A46-S48 PolarHBondContact O-N 3.29Å; S48-S50 VanDerWaalsContact C-N 3.26Å; S48-S50 PolarHBondContact O-N 3.38Å; S48-S50 VanDerWaalsContact O-N 3.1Å
49T36.1Very low37Very low94 Ų94135 Ų13558%0.57778%0.784SS**  trans-71.3100.1156.2-41.90000103L47 C51L47-T49 PolarHBondContact O-N 3.49Å; T49-C51 WeakPolarHBondContact CG2-SG 3.44Å; T49-C51 PolarHBondContact O-N 3.24Å
50S31.7Very low38.1Very low111 Ų111139.4 Ų139.478%0.77678%0.781SS**  trans-65.775.7169.652.60000108S48 S52S48-S50 VanDerWaalsContact C-N 3.26Å; S48-S50 PolarHBondContact O-N 3.38Å; S48-S50 VanDerWaalsContact O-N 3.1Å; S50-S52 VanDerWaalsContact C-N 3.29Å; S50-S52 PolarHBondContact O-N 3.2Å
51C32.5Very low39.5Very low85 Ų85142.3 Ų142.357%0.57478%0.779SS**  trans-88.874.6165.9-70.40000107T49 N53T49-C51 WeakPolarHBondContact CG2-SG 3.44Å; T49-C51 PolarHBondContact O-N 3.24Å; C51-N53 PolarHBondContact O-N 3.1Å
52S30.8Very low40.3Very low108 Ų108141.9 Ų141.976%0.75577%0.772SS**  trans-71.1108.4155.237.80000107.1S50 E54S50-S52 VanDerWaalsContact C-N 3.29Å; S50-S52 PolarHBondContact O-N 3.2Å; S52-E54 PolarHBondContact O-N 2.91Å
53N43.2Very low41.7Very low158 Ų158134.9 Ų134.985%0.84575%0.747SS**  trans-71.397.9166.7-79.2-25.5000108.3C51C51-N53 PolarHBondContact O-N 3.1Å
54E41.6Very low42.8Very low185 Ų185130.3 Ų130.386%0.86472%0.724SS**  trans-145.7148.5153.6-69.1-151.3157.500108.6S52S52-E54 PolarHBondContact O-N 2.91Å
55D45.8Very low44.4Very low169 Ų169129.3 Ų129.390%0.90471%0.708SS**  trans-49.4148.4-165.4-65.7-64.7000116.3
56G45.4Very low46.2Very low74 Ų74120.5 Ų120.576%0.76367%0.671SS**  trans-63.4167.2-15600000119.6
57P47.7Very low49Very low123 Ų123117.3 Ų117.380%0.79964%0.642SS**  -132.2170.5109.137-26.8000111.4R59P57-R59 PolarHBondContact O-N 2.59Å; P57-R59 VanDerWaalsContact O-N 3.15Å
58D50.3Low52.1Low141 Ų141111.2 Ų111.275%0.75461%0.611SS**  trans-25117.4172.8-87.4-38.1000112.8K60D58-K60 HydrophobicContact CB-CG 4.14Å; D58-K60 PolarHBondContact O-N 3.14Å
59R45.9Very low55.2Low237 Ų237105.9 Ų105.989%0.89457%0.573SS**  trans-66.480.1164-74.6-175.2175.9178.3-0.8107.3P57 I61P57-R59 PolarHBondContact O-N 2.59Å; P57-R59 VanDerWaalsContact O-N 3.15Å; R59-I61 PolarHBondContact O-N 2.86Å
60K51.2Low58.1Low170 Ų170101.4 Ų101.474%0.73955%0.546SS*.  trans-61111.3171.7-70.9-177.7-179178.50105.6D58 E62D58-K60 HydrophobicContact CB-CG 4.14Å; D58-K60 PolarHBondContact O-N 3.14Å; K60-E62 VanDerWaalsContact C-N 3.34Å; K60-E62 PolarHBondContact O-N 3.38Å
61I58.8Low61.3Low128 Ų12896.1 Ų96.166%0.65651%0.509SS*.  trans-58.6106.6167.1-63.2172.6000104.8R59 F63R59-I61 PolarHBondContact O-N 2.86Å; I61-F63 VanDerWaalsContact C-N 3.32Å; I61-F63 HydrophobicContact CB-CE2 4.33Å; I61-F63 HydrophobicContact CB-CZ 4.25Å; I61-F63 HydrophobicContact CG2-CD1 4.11Å; I61-F63 HydrophobicContact CG2-CE1 3.9Å; I61-F63 HydrophobicContact CG2-CE2 4.41Å; I61-F63 HydrophobicContact CG2-CG 4.46Å; I61-F63 HydrophobicContact CG2-CZ 4.07Å; I61-F63 VanDerWaalsContact O-CD2 3.3Å; I61-F63 WeakPolarHBondContact O-CD2 3.44Å; I61-F63 PolarHBondContact O-N 3Å
62E55.2Low64.3Low167 Ų16792.1 Ų92.178%0.7848%0.482SS*.  trans-68.598.3172.2-76-168.3166.900107.2K60 L64K60-E62 VanDerWaalsContact C-N 3.34Å; K60-E62 PolarHBondContact O-N 3.38Å; E62-L64 PolarHBondContact O-N 2.86Å; E62-L64 VanDerWaalsContact O-N 3.08Å
63F61Low67.4Low80 Ų8089.4 Ų89.435%0.35146%0.456SS..  trans-69.2107.8173.4-65.9-75.9000108I61 H65 G160I61-F63 VanDerWaalsContact C-N 3.32Å; I61-F63 HydrophobicContact CB-CE2 4.33Å; I61-F63 HydrophobicContact CB-CZ 4.25Å; I61-F63 HydrophobicContact CG2-CD1 4.11Å; I61-F63 HydrophobicContact CG2-CE1 3.9Å; I61-F63 HydrophobicContact CG2-CE2 4.41Å; I61-F63 HydrophobicContact CG2-CG 4.46Å; I61-F63 HydrophobicContact CG2-CZ 4.07Å; I61-F63 VanDerWaalsContact O-CD2 3.3Å; I61-F63 WeakPolarHBondContact O-CD2 3.44Å; I61-F63 PolarHBondContact O-N 3Å; F63-H65 WeakPolarHBondContact CB-NE2 3.17Å; F63-H65 PolarHBondContact O-CE1 3.24Å; F63-H65 PolarHBondContact O-N 3.06Å; F63-H65 PolarHBondContact O-ND1 3.27Å; F63-H65 VanDerWaalsContact O-ND1 3.17Å; F63-G160 WeakPolarHBondContact CE2-O 3.31Å
64L60Low69.7Low91 Ų9183 Ų8348%0.47642%0.421SS..  trans-81100.5169.1-68.3167.9000107.7E62 G66E62-L64 PolarHBondContact O-N 2.86Å; E62-L64 VanDerWaalsContact O-N 3.08Å; L64-G66 VanDerWaalsContact C-N 3.34Å; L64-G66 PolarHBondContact O-N 2.86Å
65H63.8Low72Confident82 Ų8279.1 Ų79.138%0.3840%0.403SS..  trans-7979.8-175.7-55.4107.9000111.6F63 T67 S162 S196F63-H65 WeakPolarHBondContact CB-NE2 3.17Å; F63-H65 PolarHBondContact O-CE1 3.24Å; F63-H65 PolarHBondContact O-N 3.06Å; F63-H65 PolarHBondContact O-ND1 3.27Å; F63-H65 VanDerWaalsContact O-ND1 3.17Å; H65-T67 PolarHBondContact O-N 3.02Å; H65-S162 PolarHBondContact NE2-OG 3.01Å; H65-S196 WeakPolarHBondContact O-CB 3.45Å; H65-S196 PolarHBondContact O-OG 2.95Å; H65-S196 VanDerWaalsContact O-OG 3.08Å
66G73.6Confident74.3Confident6 Ų675.5 Ų75.56%0.06238%0.38CS..  trans-88.689.5176.800000113.7L64 K99L64-G66 VanDerWaalsContact C-N 3.34Å; L64-G66 PolarHBondContact O-N 2.86Å; G66-K99 PolarHBondContact O-NZ 3.17Å
67T91.9Very high76.6Confident14 Ų1472 Ų729%0.08634%0.344CS..  trans-165.7150-176.4-69.20000112.6H65 T69 K99 A112 G195 S196 G197H65-T67 PolarHBondContact O-N 3.02Å; T67-T69 HydrophobicContact CG2-CG2 3.67Å; T67-K99 HydrophobicContact CG2-CD 3.58Å; T67-K99 PolarHBondContact OG1-NZ 3.27Å; T67-A112 HydrophobicContact CG2-CB 4.09Å; T67-G195 CarbonylContact O-C 3.59Å; T67-G195 WeakPolarHBondContact O-CA 3.48Å; T67-S196 PolarHBondContact N-OG 3.32Å; T67-S196 PolarHBondContact O-N 2.89Å; T67-S196 PolarHBondContact O-OG 2.94Å; T67-G197 PolarHBondContact O-N 3.01Å
68T96.6Very high78.9Confident0 Ų066.1 Ų66.10%031%0.306CS..  trans-127.2118.5161.7-54.70000110.2D83 G197 A201 I227 A230 S237T68-D83 PolarHBondContact N-OD1 3.49Å; T68-D83 PolarHBondContact O-N 3.09Å; T68-D83 VanDerWaalsContact O-N 3.07Å; T68-D83 VanDerWaalsContact O-OD1 3.1Å; T68-G197 WeakPolarHBondContact OG1-CA 3.38Å; T68-G197 PolarHBondContact OG1-N 3.27Å; T68-A201 HydrophobicContact CG2-CB 4.06Å; T68-I227 HydrophobicContact CG2-CD1 3.62Å; T68-A230 HydrophobicContact CG2-CB 3.74Å; T68-S237 PolarHBondContact N-OG 2.94Å; T68-S237 WeakPolarHBondContact OG1-CB 3.22Å; T68-S237 PolarHBondContact OG1-OG 3.38Å
69T97.2Very high81.1Confident0 Ų059.4 Ų59.40%027%0.27CS..EExtended strand (participates in β ladder)trans-120.8144.716960.90000109.4T67 V82 A112 M166 A193 V194T67-T69 HydrophobicContact CG2-CG2 3.67Å; T69-V82 HydrophobicContact CG2-CB 4.03Å; T69-V82 HydrophobicContact CG2-CG1 3.55Å; T69-A112 HydrophobicContact CG2-CB 4.44Å; T69-M166 VanDerWaalsContact OG1-CE 3.27Å; T69-M166 WeakPolarHBondContact OG1-CE 3.27Å; T69-A193 CarbonylContact O-C 3.17Å; T69-A193 WeakPolarHBondContact O-CA 3.42Å; T69-V194 PolarHBondContact N-O 2.83Å; T69-V194 PolarHBondContact O-N 2.92Å; T69-V194 PolarHBondContact OG1-O 3.29Å
70L97.1Very high83.6Confident1 Ų148.1 Ų48.11%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-140137-178.9170.775.2000108.5F72 V80 A81 L191 F192 A193 V205 A226 I227L70-F72 HydrophobicContact CD2-CD1 4.14Å; L70-F72 HydrophobicContact CD2-CE1 4.26Å; L70-F72 HydrophobicContact CG-CD1 4.25Å; L70-V80 WeakPolarHBondContact O-CA 3.36Å; L70-A81 PolarHBondContact N-O 2.87Å; L70-A81 PolarHBondContact O-N 2.84Å; L70-A81 VanDerWaalsContact O-O 3.13Å; L70-L191 HydrophobicContact CD1-CD1 3.62Å; L70-F192 CarbonylContact C-O 3.56Å; L70-F192 WeakPolarHBondContact CA-O 3.36Å; L70-A193 HydrophobicContact CD1-CB 3.95Å; L70-V205 HydrophobicContact CD1-CB 4.47Å; L70-V205 HydrophobicContact CD1-CG1 4.48Å; L70-V205 HydrophobicContact CD1-CG2 3.83Å; L70-V205 HydrophobicContact CD2-CG2 3.46Å; L70-V205 VanDerWaalsContact CD2-CG2 3.46Å; L70-V205 HydrophobicContact CG-CG2 4.28Å; L70-A226 HydrophobicContact CD2-CB 3.78Å; L70-I227 HydrophobicContact CB-CD1 3.99Å
71A97.6Very high85.8Confident0 Ų040 Ų400%019%0.192CC..EExtended strand (participates in β ladder)trans-139.5137.8166.200000110.4I79 V80 M166 L177 F192A71-I79 VanDerWaalsContact CA-O 3.23Å; A71-I79 WeakPolarHBondContact CA-O 3.47Å; A71-V80 HydrophobicContact CB-CG2 4.15Å; A71-M166 HydrophobicContact CB-CE 4.21Å; A71-M166 HydrophobicContact CB-SD 3.81Å; A71-L177 HydrophobicContact CB-CD1 3.67Å; A71-L177 HydrophobicContact CB-CD2 4.21Å; A71-F192 PolarHBondContact N-O 2.75Å; A71-F192 PolarHBondContact O-N 2.77Å; A71-F192 VanDerWaalsContact O-O 3.13Å
72F96.3Very high87.7Confident0 Ų033.9 Ų33.90%016%0.161CC..EExtended strand (participates in β ladder)trans-145.3146.2175.366.8-91.8000112.6L70 V78 I79 D190 L191 V205 L209 A219 L222L70-F72 HydrophobicContact CD2-CD1 4.14Å; L70-F72 HydrophobicContact CD2-CE1 4.26Å; L70-F72 HydrophobicContact CG-CD1 4.25Å; F72-V78 WeakPolarHBondContact O-CA 3.23Å; F72-V78 WeakPolarHBondContact O-CG1 3.42Å; F72-I79 HydrophobicContact CD1-CB 4.33Å; F72-I79 HydrophobicContact CE1-CB 3.81Å; F72-I79 HydrophobicContact CE1-CG2 3.93Å; F72-I79 HydrophobicContact CE2-CB 4.17Å; F72-I79 HydrophobicContact CE2-CG1 4.16Å; F72-I79 HydrophobicContact CZ-CB 3.73Å; F72-I79 HydrophobicContact CZ-CG1 3.91Å; F72-I79 HydrophobicContact CZ-CG2 4.1Å; F72-I79 PolarHBondContact N-O 2.76Å; F72-I79 PolarHBondContact O-N 2.83Å; F72-D190 CarbonylContact C-O 3.57Å; F72-D190 WeakPolarHBondContact CA-O 3.22Å; F72-L191 HydrophobicContact CB-CB 4.38Å; F72-L191 HydrophobicContact CB-CD1 3.62Å; F72-V205 HydrophobicContact CD1-CG1 4.08Å; F72-V205 HydrophobicContact CG-CG1 4.31Å; F72-L209 HydrophobicContact CB-CD1 4.36Å; F72-L209 HydrophobicContact CD2-CD2 4Å; F72-L209 HydrophobicContact CE2-CD2 4.42Å; F72-A219 HydrophobicContact CE2-CB 4.2Å; F72-A219 HydrophobicContact CZ-CB 4.28Å; F72-A219 WeakPolarHBondContact CZ-O 3.29Å; F72-L222 HydrophobicContact CZ-CD2 4.33Å
73K94.8Very high89.7Confident52 Ų5226 Ų2623%0.22612%0.124CC..EExtended strand (participates in β ladder)trans-87.5141.1177-72.5175.455.7-156.10110.1G77 V78 P175 L177 D190K73-G77 WeakPolarHBondContact CA-O 3.37Å; K73-V78 HydrophobicContact CG-CG1 4.49Å; K73-V78 HydrophobicContact CG-CG2 3.99Å; K73-P175 WeakPolarHBondContact CE-O 3.34Å; K73-L177 HydrophobicContact CD-CB 3.76Å; K73-L177 HydrophobicContact CG-CB 3.91Å; K73-L177 HydrophobicContact CG-CD2 4.27Å; K73-D190 HydrophobicContact CB-CB 4.31Å; K73-D190 WeakPolarHBondContact CD-OD1 3.19Å; K73-D190 WeakPolarHBondContact CE-OD1 3.42Å; K73-D190 PolarHBondContact N-O 2.93Å; K73-D190 IonicContact NZ-OD1 3.57Å; K73-D190 PolarHBondContact NZ-OD1 2.86Å
74F93Very high91.4Very high22 Ų2222.1 Ų22.110%0.09611%0.107CC..EExtended strand (participates in β ladder)trans-147.4-179173.175.5-66.6000109.2H76 G77 I79 V216 A219 H245F74-H76 VanDerWaalsContact C-N 3.26Å; F74-H76 HydrophobicContact CD2-CB 4.27Å; F74-H76 HydrophobicContact CE2-CB 3.55Å; F74-H76 AromaticContact CE2-CD2 3.87Å; F74-H76 HydrophobicContact CZ-CB 3.79Å; F74-H76 PolarHBondContact O-N 3.15Å; F74-G77 VanDerWaalsContact CD1-O 3.23Å; F74-G77 WeakPolarHBondContact CD1-O 3.43Å; F74-G77 PolarHBondContact N-O 2.67Å; F74-G77 PolarHBondContact O-N 3.29Å; F74-I79 HydrophobicContact CD1-CG1 4.07Å; F74-I79 HydrophobicContact CE1-CD1 3.74Å; F74-I79 HydrophobicContact CE1-CG1 3.59Å; F74-I79 HydrophobicContact CZ-CD1 4.01Å; F74-I79 HydrophobicContact CZ-CG1 4.17Å; F74-V216 HydrophobicContact CE2-CG2 4.22Å; F74-V216 HydrophobicContact CZ-CG2 4.33Å; F74-A219 HydrophobicContact CD1-CB 4.46Å; F74-A219 HydrophobicContact CD2-CB 3.9Å; F74-A219 HydrophobicContact CE1-CB 4.41Å; F74-A219 HydrophobicContact CE2-CB 3.78Å; F74-A219 HydrophobicContact CG-CB 4.24Å; F74-A219 HydrophobicContact CZ-CB 4.07Å; F74-H245 AromaticContact CZ-NE2 3.77Å
75Q89.9Confident93.1Very high105 Ų10520.1 Ų20.149%0.4919%0.093SC..THydrogen-bonded Turntrans-57.4-37.2-171-57.8-1731.200113.9K212 D213Q75-K212 PolarHBondContact NE2-O 2.71Å; Q75-D213 PolarHBondContact NE2-OD1 3.24Å
76H92.3Very high94.6Very high92 Ų9217.5 Ų17.543%0.4269%0.086SC..THydrogen-bonded Turntrans-97.916.6-177.8-50.7-63.7000113.2F74 V216 H245F74-H76 VanDerWaalsContact C-N 3.26Å; F74-H76 HydrophobicContact CD2-CB 4.27Å; F74-H76 HydrophobicContact CE2-CB 3.55Å; F74-H76 AromaticContact CE2-CD2 3.87Å; F74-H76 HydrophobicContact CZ-CB 3.79Å; F74-H76 PolarHBondContact O-N 3.15Å; H76-V216 HydrophobicContact CB-CG2 3.74Å; H76-H245 PolarHBondContact O-NE2 3.12Å
77G93.9Very high95.4Very high0 Ų018.6 Ų18.60%09%0.091CC..EExtended strand (participates in β ladder)trans126-131.6170.900000114.6K73 F74 W170 V246K73-G77 WeakPolarHBondContact CA-O 3.37Å; F74-G77 VanDerWaalsContact CD1-O 3.23Å; F74-G77 WeakPolarHBondContact CD1-O 3.43Å; F74-G77 PolarHBondContact N-O 2.67Å; F74-G77 PolarHBondContact O-N 3.29Å; G77-W170 VanDerWaalsContact CA-CZ3 3.41Å; G77-V246 WeakPolarHBondContact CA-O 3.16Å
78V96.6Very high95.3Very high0 Ų021.1 Ų21.10%011%0.114CC..EExtended strand (participates in β ladder)trans-128.6130.9-176.2-164.50000109.7F72 K73 V80 C168 P175 V246F72-V78 WeakPolarHBondContact O-CA 3.23Å; F72-V78 WeakPolarHBondContact O-CG1 3.42Å; K73-V78 HydrophobicContact CG-CG1 4.49Å; K73-V78 HydrophobicContact CG-CG2 3.99Å; V78-V80 HydrophobicContact CG1-CG2 4.4Å; V78-C168 HydrophobicContact CG1-CB 4.47Å; V78-P175 HydrophobicContact CG2-CB 3.72Å; V78-V246 HydrophobicContact CB-CB 4.01Å; V78-V246 HydrophobicContact CB-CG2 4.3Å; V78-V246 HydrophobicContact CG2-CB 4.42Å; V78-V246 PolarHBondContact N-O 3.29Å; V78-V246 PolarHBondContact O-N 3.06Å
79I97.4Very high94.9Very high0 Ų022.3 Ų22.30%013%0.126CC..EExtended strand (participates in β ladder)trans-95.6131.9166.9-62.3-54.6000108.2A71 F72 F74 A219 L243 H245A71-I79 VanDerWaalsContact CA-O 3.23Å; A71-I79 WeakPolarHBondContact CA-O 3.47Å; F72-I79 HydrophobicContact CD1-CB 4.33Å; F72-I79 HydrophobicContact CE1-CB 3.81Å; F72-I79 HydrophobicContact CE1-CG2 3.93Å; F72-I79 HydrophobicContact CE2-CB 4.17Å; F72-I79 HydrophobicContact CE2-CG1 4.16Å; F72-I79 HydrophobicContact CZ-CB 3.73Å; F72-I79 HydrophobicContact CZ-CG1 3.91Å; F72-I79 HydrophobicContact CZ-CG2 4.1Å; F72-I79 PolarHBondContact N-O 2.76Å; F72-I79 PolarHBondContact O-N 2.83Å; F74-I79 HydrophobicContact CD1-CG1 4.07Å; F74-I79 HydrophobicContact CE1-CD1 3.74Å; F74-I79 HydrophobicContact CE1-CG1 3.59Å; F74-I79 HydrophobicContact CZ-CD1 4.01Å; F74-I79 HydrophobicContact CZ-CG1 4.17Å; I79-A219 HydrophobicContact CD1-CB 4.49Å; I79-A219 HydrophobicContact CG1-CB 3.9Å; I79-L243 HydrophobicContact CG2-CD1 4.3Å; I79-L243 HydrophobicContact CG2-CD2 4.21Å; I79-L243 HydrophobicContact CG2-CG 4.2Å; I79-H245 HydrophobicContact CD1-CB 4Å
80V98.1Very high94.5Very high0 Ų028.1 Ų28.10%017%0.166CC..EExtended strand (participates in β ladder)trans-119120.7171.6-1760000107.8L70 A71 V78 V82 V100 L108 T110 C168 L243 Y244 V246L70-V80 WeakPolarHBondContact O-CA 3.36Å; A71-V80 HydrophobicContact CB-CG2 4.15Å; V78-V80 HydrophobicContact CG1-CG2 4.4Å; V80-V82 HydrophobicContact CG1-CG1 4.42Å; V80-V100 HydrophobicContact CG1-CG2 3.99Å; V80-L108 HydrophobicContact CG2-CD1 4.45Å; V80-T110 HydrophobicContact CG1-CG2 3.61Å; V80-C168 HydrophobicContact CG2-CB 3.93Å; V80-L243 WeakPolarHBondContact O-CA 3.5Å; V80-Y244 PolarHBondContact N-O 3.05Å; V80-Y244 PolarHBondContact O-N 3.03Å; V80-V246 HydrophobicContact CG2-CG2 4.46Å
81A97.9Very high94.2Very high0 Ų035.9 Ų35.90%020%0.197CC..EExtended strand (participates in β ladder)trans-127.7131.9-179.600000109.8L70 I227 N242 L243L70-A81 PolarHBondContact N-O 2.87Å; L70-A81 PolarHBondContact O-N 2.84Å; L70-A81 VanDerWaalsContact O-O 3.13Å; A81-I227 HydrophobicContact CB-CD1 4.42Å; A81-I227 HydrophobicContact CB-CG1 3.68Å; A81-N242 WeakPolarHBondContact CA-O 3.28Å; A81-L243 HydrophobicContact CB-CD1 4.23Å; A81-L243 HydrophobicContact CB-CG 4.49Å
82V97.9Very high94.1Very high0 Ų038.9 Ų38.90%021%0.212CC..EExtended strand (participates in β ladder)trans-139.7152.3-178.7-54.30000111.3T69 V80 K99 V100 T110 V241 N242T69-V82 HydrophobicContact CG2-CB 4.03Å; T69-V82 HydrophobicContact CG2-CG1 3.55Å; V80-V82 HydrophobicContact CG1-CG1 4.42Å; V82-K99 HydrophobicContact CB-CB 4.14Å; V82-K99 HydrophobicContact CG2-CB 3.97Å; V82-V100 HydrophobicContact CB-CG2 4.34Å; V82-V100 HydrophobicContact CG1-CG2 3.66Å; V82-V100 HydrophobicContact CG2-CG2 3.66Å; V82-T110 HydrophobicContact CG1-CG2 4.44Å; V82-V241 WeakPolarHBondContact O-CA 3.22Å; V82-N242 HydrophobicContact CG2-CB 3.88Å; V82-N242 PolarHBondContact N-O 3.43Å; V82-N242 PolarHBondContact O-N 2.95Å
83D97.4Very high93.9Very high0 Ų041.8 Ų41.80%024%0.236CC..  trans-80.3178.2164.886.2-56.5000111.5T68 R85 K99 I227 T231 S237 G238 Q240T68-D83 PolarHBondContact N-OD1 3.49Å; T68-D83 PolarHBondContact O-N 3.09Å; T68-D83 VanDerWaalsContact O-N 3.07Å; T68-D83 VanDerWaalsContact O-OD1 3.1Å; D83-R85 PolarHBondContact OD2-N 3.21Å; D83-K99 WeakPolarHBondContact O-CD 3.35Å; D83-K99 IonicContact OD1-NZ 3.61Å; D83-K99 PolarHBondContact OD1-NZ 3.28Å; D83-K99 IonicContact OD2-NZ 2.66Å; D83-K99 PolarHBondContact OD2-NZ 3.15Å; D83-I227 HydrophobicContact CB-CG2 4.1Å; D83-T231 HydrophobicContact CB-CG2 4.03Å; D83-S237 WeakPolarHBondContact OD2-CA 3.44Å; D83-G238 PolarHBondContact OD2-N 3.01Å; D83-Q240 CarbonylContact C-O 3.46Å; D83-Q240 WeakPolarHBondContact CA-O 3.39Å
84S96.7Very high94Very high0 Ų041.1 Ų41.10%024%0.238CC..  trans-131.67.2-176.565.90000114.8Q95 T96 V97 G238 Q240S84-Q95 WeakPolarHBondContact CB-O 3.15Å; S84-Q95 CarbonylContact O-C 3.49Å; S84-Q95 PolarHBondContact OG-O 3.4Å; S84-T96 PolarHBondContact O-N 2.82Å; S84-V97 WeakPolarHBondContact CA-O 3.37Å; S84-V97 WeakPolarHBondContact CB-O 3.21Å; S84-V97 PolarHBondContact O-N 3.01Å; S84-G238 PolarHBondContact N-O 2.92Å; S84-G238 VanDerWaalsContact N-O 3.08Å; S84-Q240 PolarHBondContact N-O 2.59Å; S84-Q240 WeakPolarHBondContact OG-CA 3.34Å; S84-Q240 WeakPolarHBondContact OG-CB 3.49Å; S84-Q240 PolarHBondContact OG-N 3.5Å; S84-Q240 PolarHBondContact OG-O 3.39Å
85R95.8Very high94.1Very high48 Ų4844.7 Ų44.718%0.18126%0.255CS..  trans-78.4134.9178.1178.5172-71.2175.51.2111.2D83 T87 I92 S94 K99 A235 Y236 S237 G238D83-R85 PolarHBondContact OD2-N 3.21Å; R85-T87 HydrophobicContact CG-CG2 3.91Å; R85-I92 HydrophobicContact CG-CG2 4.13Å; R85-S94 CarbonylContact C-O 3.49Å; R85-S94 WeakPolarHBondContact CA-O 3.08Å; R85-K99 WeakPolarHBondContact O-CE 3.43Å; R85-K99 PolarHBondContact O-NZ 2.87Å; R85-A235 PolarHBondContact NH1-O 3.32Å; R85-Y236 WeakPolarHBondContact CD-O 3.04Å; R85-S237 PolarHBondContact NH1-O 3.3Å; R85-G238 WeakPolarHBondContact CB-O 2.8Å; R85-G238 PolarHBondContact N-O 3.26Å
86A94.4Very high94.4Very high28 Ų2844 Ų4423%0.23126%0.258CS..EExtended strand (participates in β ladder)trans-123.7131.2168.600000109.7A93 S94 V97A86-A93 PolarHBondContact O-N 2.98Å; A86-S94 PolarHBondContact N-O 2.81Å; A86-S94 PolarHBondContact O-N 3.46Å; A86-S94 VanDerWaalsContact O-N 3.14Å; A86-V97 HydrophobicContact CB-CB 4.36Å; A86-V97 HydrophobicContact CB-CG2 3.57Å
87T91.6Very high94.5Very high28 Ų2841.4 Ų41.417%0.17225%0.249CC..EExtended strand (participates in β ladder)trans-118.8142.7-175.3560000111.1R85 Y91 I92 Y236R85-T87 HydrophobicContact CG-CG2 3.91Å; T87-Y91 CarbonylContact C-O 3.59Å; T87-Y91 WeakPolarHBondContact CA-O 3.21Å; T87-I92 HydrophobicContact CG2-CG1 4.24Å; T87-Y236 HydrophobicContact CG2-CD1 4.07Å
88A89.3Confident94.6Very high68 Ų6847.6 Ų47.656%0.56228%0.276SS*.EExtended strand (participates in β ladder)trans-114.187.2168.800000107.5Y91A88-Y91 PolarHBondContact N-O 2.92Å; A88-Y91 PolarHBondContact O-N 3.47Å
89G87.4Confident94.5Very high25 Ų2547.8 Ų47.826%0.25828%0.277SS..THydrogen-bonded Turntrans72.6-134.6-167.100000111.7Y91 Y236G89-Y91 VanDerWaalsContact C-N 3.27Å; G89-Y236 WeakPolarHBondContact O-CE1 3.35Å
90S88.9Confident94.5Very high121 Ų12148.1 Ų48.185%0.84628%0.279SS*.THydrogen-bonded Turntrans-76.7-13.1172.952.50000113.5
91Y91.6Very high94.5Very high165 Ų16549.5 Ų49.565%0.64729%0.286SS*.EExtended strand (participates in β ladder)trans-83.9127.3-179.7-179.6-105000111.1T87 A88 G89 A93T87-Y91 CarbonylContact C-O 3.59Å; T87-Y91 WeakPolarHBondContact CA-O 3.21Å; A88-Y91 PolarHBondContact N-O 2.92Å; A88-Y91 PolarHBondContact O-N 3.47Å; G89-Y91 VanDerWaalsContact C-N 3.27Å; Y91-A93 PolarHBondContact O-N 3.41Å
92I94.4Very high94.4Very high62 Ų6254.1 Ų54.132%0.31831%0.307SS..EExtended strand (participates in β ladder)trans-79.6105.9173.5-60.5170.2000108.2R85 T87 Q95R85-I92 HydrophobicContact CG-CG2 4.13Å; T87-I92 HydrophobicContact CG2-CG1 4.24Å; I92-Q95 HydrophobicContact CG2-CG 3.74Å
93A93.8Very high94.3Very high61 Ų6154.5 Ų54.550%0.50431%0.309SS..EExtended strand (participates in β ladder)trans-74.6-38.3-179.700000112.2A86 Y91A86-A93 PolarHBondContact O-N 2.98Å; Y91-A93 PolarHBondContact O-N 3.41Å
94S95.3Very high94.2Very high39 Ų3955.6 Ų55.627%0.27332%0.315SS..EExtended strand (participates in β ladder)trans-154.8153.2176.7178.40000111.3R85 A86 T96R85-S94 CarbonylContact C-O 3.49Å; R85-S94 WeakPolarHBondContact CA-O 3.08Å; A86-S94 PolarHBondContact N-O 2.81Å; A86-S94 PolarHBondContact O-N 3.46Å; A86-S94 VanDerWaalsContact O-N 3.14Å; S94-T96 PolarHBondContact OG-N 2.66Å; S94-T96 PolarHBondContact OG-OG1 2.86Å
95Q95.2Very high94.1Very high96 Ų9660.3 Ų60.345%0.44935%0.346SS..SBendtrans-112.53.3173.9-61.6-164.142.600113S84 I92S84-Q95 WeakPolarHBondContact CB-O 3.15Å; S84-Q95 CarbonylContact O-C 3.49Å; S84-Q95 PolarHBondContact OG-O 3.4Å; I92-Q95 HydrophobicContact CG2-CG 3.74Å
96T95.8Very high94.1Very high91 Ų9158.7 Ų58.756%0.55834%0.34SS*.  trans-126.823.6-171.1550000113S84 S94 K98S84-T96 PolarHBondContact O-N 2.82Å; S94-T96 PolarHBondContact OG-N 2.66Å; S94-T96 PolarHBondContact OG-OG1 2.86Å; T96-K98 PolarHBondContact O-N 3.39Å
97V95.9Very high94.2Very high38 Ų3857.3 Ų57.323%0.2333%0.329CS..  trans-69.4131178.9179.20000110.2S84 A86 K99 M111S84-V97 WeakPolarHBondContact CA-O 3.37Å; S84-V97 WeakPolarHBondContact CB-O 3.21Å; S84-V97 PolarHBondContact O-N 3.01Å; A86-V97 HydrophobicContact CB-CB 4.36Å; A86-V97 HydrophobicContact CB-CG2 3.57Å; V97-K99 HydrophobicContact CG1-CG 4.2Å; V97-K99 PolarHBondContact O-N 3.1Å; V97-M111 HydrophobicContact CG1-SD 4.39Å
98K94.8Very high94.5Very high129 Ų12956 Ų5656%0.56132%0.32SS*.  trans-81101.1173.6-65.9-175177.3-172.80109.4T96 M111T96-K98 PolarHBondContact O-N 3.39Å; K98-M111 VanDerWaalsContact O-CE 3.28Å; K98-M111 WeakPolarHBondContact O-CE 3.25Å
99K96.2Very high94.9Very high4 Ų452.8 Ų52.82%0.01729%0.294CS..  trans-90.42.6179.2-57.9-171-168176.30114.5G66 T67 V82 D83 R85 V97 T110 M111G66-K99 PolarHBondContact O-NZ 3.17Å; T67-K99 HydrophobicContact CG2-CD 3.58Å; T67-K99 PolarHBondContact OG1-NZ 3.27Å; V82-K99 HydrophobicContact CB-CB 4.14Å; V82-K99 HydrophobicContact CG2-CB 3.97Å; D83-K99 WeakPolarHBondContact O-CD 3.35Å; D83-K99 IonicContact OD1-NZ 3.61Å; D83-K99 PolarHBondContact OD1-NZ 3.28Å; D83-K99 IonicContact OD2-NZ 2.66Å; D83-K99 PolarHBondContact OD2-NZ 3.15Å; R85-K99 WeakPolarHBondContact O-CE 3.43Å; R85-K99 PolarHBondContact O-NZ 2.87Å; V97-K99 HydrophobicContact CG1-CG 4.2Å; V97-K99 PolarHBondContact O-N 3.1Å; K99-T110 CarbonylContact O-C 3.17Å; K99-T110 WeakPolarHBondContact O-CA 3.35Å; K99-M111 HydrophobicContact CB-CB 4.13Å; K99-M111 WeakPolarHBondContact O-CB 3.34Å; K99-M111 PolarHBondContact O-N 2.76Å
100V97.3Very high95.4Very high7 Ų751.6 Ų51.64%0.04228%0.281CS..EExtended strand (participates in β ladder)trans-103.9124.3163.9176.80000107V80 V82 L108 G109 Y244V80-V100 HydrophobicContact CG1-CG2 3.99Å; V82-V100 HydrophobicContact CB-CG2 4.34Å; V82-V100 HydrophobicContact CG1-CG2 3.66Å; V82-V100 HydrophobicContact CG2-CG2 3.66Å; V100-L108 HydrophobicContact CG1-CB 4.26Å; V100-L108 HydrophobicContact CG1-CD1 4.23Å; V100-L108 HydrophobicContact CG1-CD2 3.84Å; V100-L108 HydrophobicContact CG1-CG 4.34Å; V100-G109 WeakPolarHBondContact CA-O 3.34Å; V100-Y244 HydrophobicContact CB-CD2 4.03Å; V100-Y244 HydrophobicContact CB-CE2 3.63Å; V100-Y244 HydrophobicContact CG1-CD2 3.99Å; V100-Y244 HydrophobicContact CG1-CE1 4.44Å; V100-Y244 HydrophobicContact CG1-CE2 3.87Å; V100-Y244 HydrophobicContact CG1-CG 4.33Å; V100-Y244 HydrophobicContact CG2-CD2 3.75Å; V100-Y244 HydrophobicContact CG2-CE2 3.72Å
101I96.6Very high95.7Very high30 Ų3046.5 Ų46.515%0.15425%0.245CC..EExtended strand (participates in β ladder)trans-100.9123.3175.4-62.9164.8000107.4I103 G109 M111 E122I101-I103 PolarHBondContact O-N 2.86Å; I101-I103 VanDerWaalsContact O-N 3.1Å; I101-G109 PolarHBondContact N-O 3.01Å; I101-G109 PolarHBondContact O-N 3.32Å; I101-M111 HydrophobicContact CD1-CB 4.46Å; I101-M111 HydrophobicContact CD1-CE 3.9Å; I101-M111 HydrophobicContact CG1-CE 4.04Å; I101-E122 WeakPolarHBondContact CB-OE2 3.48Å; I101-E122 HydrophobicContact CD1-CB 4.04Å; I101-E122 HydrophobicContact CD1-CG 4.31Å; I101-E122 WeakPolarHBondContact CD1-OE2 3.47Å; I101-E122 HydrophobicContact CG2-CB 4.18Å
102E96.8Very high95.8Very high97 Ų9738.8 Ų38.845%0.45322%0.215SC..EExtended strand (participates in β ladder)trans-79.891.1177-61.5168.5-162.300108.2L108 W251E102-L108 HydrophobicContact CG-CD2 4.24Å; E102-W251 HydrophobicContact CB-CH2 4.3Å; E102-W251 HydrophobicContact CB-CZ2 3.75Å; E102-W251 HydrophobicContact CG-CH2 3.56Å; E102-W251 HydrophobicContact CG-CZ2 3.48Å; E102-W251 VanDerWaalsContact CG-CZ2 3.48Å; E102-W251 HydrophobicContact CG-CZ3 4.38Å; E102-W251 WeakPolarHBondContact OE2-CH2 3.28Å
103I95.6Very high95.6Very high8 Ų836.9 Ų36.94%0.04121%0.211CC..EExtended strand (participates in β ladder)trans-67.3-52.1-177.5-62.9166.5000109.4I101 L107 L125 A126I101-I103 PolarHBondContact O-N 2.86Å; I101-I103 VanDerWaalsContact O-N 3.1Å; I103-L107 HydrophobicContact CB-CB 4.05Å; I103-L107 HydrophobicContact CG2-CB 4.27Å; I103-L107 PolarHBondContact N-O 3.45Å; I103-L125 HydrophobicContact CD1-CD2 4.02Å; I103-A126 HydrophobicContact CG2-CB 3.73Å; I103-A126 VanDerWaalsContact O-CB 3.3Å; I103-A126 WeakPolarHBondContact O-CB 3.09Å
104N94.6Very high95.6Very high23 Ų2334.4 Ų34.412%0.12319%0.191CC..EExtended strand (participates in β ladder)trans-148168.9177.9-82.3-21.2000108.6Y106 L107 C129 W251N104-Y106 HydrophobicContact CB-CD1 4.08Å; N104-Y106 HydrophobicContact CB-CE1 3.81Å; N104-Y106 PolarHBondContact ND2-OH 3.07Å; N104-Y106 PolarHBondContact O-N 2.91Å; N104-L107 HydrophobicContact CB-CB 4.32Å; N104-L107 PolarHBondContact N-O 2.91Å; N104-L107 PolarHBondContact O-N 2.92Å; N104-L107 VanDerWaalsContact O-N 3.15Å; N104-C129 WeakPolarHBondContact ND2-CB 3.43Å; N104-W251 PolarHBondContact O-NE1 2.84Å
105P95Very high95.4Very high98 Ų9835.1 Ų35.164%0.63620%0.199SC*.THydrogen-bonded Turntrans-58.7-8.2176.1-25.835.6000116G250 W251P105-G250 WeakPolarHBondContact O-CA 3.47Å; P105-W251 VanDerWaalsContact C-CD1 3.43Å; P105-W251 VanDerWaalsContact O-CD1 3.23Å; P105-W251 PolarHBondContact O-N 2.87Å
106Y95.5Very high95.3Very high14 Ų1434 Ų346%0.05521%0.207CC..THydrogen-bonded Turntrans-129.10.1-178.959.2-89.7000114N104 R139 I140 G169N104-Y106 HydrophobicContact CB-CD1 4.08Å; N104-Y106 HydrophobicContact CB-CE1 3.81Å; N104-Y106 PolarHBondContact ND2-OH 3.07Å; N104-Y106 PolarHBondContact O-N 2.91Å; Y106-R139 HydrophobicContact CE1-CB 4.49Å; Y106-R139 HydrophobicContact CE1-CG 4.14Å; Y106-R139 HydrophobicContact CE2-CB 4.23Å; Y106-I140 HydrophobicContact CE2-CG2 4.22Å; Y106-G169 WeakPolarHBondContact O-CA 3.38Å
107L97.1Very high95.3Very high0 Ų031.3 Ų31.30%019%0.189CC..EExtended strand (participates in β ladder)trans-129.5132178.1-72.7169000110.1I103 N104 I140 V142 A145 V167 C168I103-L107 HydrophobicContact CB-CB 4.05Å; I103-L107 HydrophobicContact CG2-CB 4.27Å; I103-L107 PolarHBondContact N-O 3.45Å; N104-L107 HydrophobicContact CB-CB 4.32Å; N104-L107 PolarHBondContact N-O 2.91Å; N104-L107 PolarHBondContact O-N 2.92Å; N104-L107 VanDerWaalsContact O-N 3.15Å; L107-I140 HydrophobicContact CD1-CG2 3.9Å; L107-V142 HydrophobicContact CD2-CB 4.34Å; L107-V142 HydrophobicContact CD2-CG1 4.29Å; L107-V142 HydrophobicContact CD2-CG2 3.81Å; L107-A145 HydrophobicContact CD1-CB 4.04Å; L107-V167 HydrophobicContact CD2-CG1 4.35Å; L107-C168 WeakPolarHBondContact CA-O 3.43Å
108L98.1Very high95.2Very high0 Ų029.5 Ų29.50%018%0.178CC..EExtended strand (participates in β ladder)trans-116.2142.3171.4-66.4-179.9000109.9V80 V100 E102 C168 Y244 V246 W251V80-L108 HydrophobicContact CG2-CD1 4.45Å; V100-L108 HydrophobicContact CG1-CB 4.26Å; V100-L108 HydrophobicContact CG1-CD1 4.23Å; V100-L108 HydrophobicContact CG1-CD2 3.84Å; V100-L108 HydrophobicContact CG1-CG 4.34Å; E102-L108 HydrophobicContact CG-CD2 4.24Å; L108-C168 HydrophobicContact CB-CB 4.39Å; L108-C168 PolarHBondContact N-O 3.27Å; L108-C168 PolarHBondContact O-N 3.24Å; L108-Y244 HydrophobicContact CD1-CD1 4.05Å; L108-Y244 HydrophobicContact CD1-CG 4.01Å; L108-V246 HydrophobicContact CD1-CG2 3.81Å; L108-V246 HydrophobicContact CG-CG2 4.43Å; L108-W251 HydrophobicContact CD1-CB 3.88Å; L108-W251 HydrophobicContact CD1-CD2 4.46Å; L108-W251 HydrophobicContact CD1-CG 3.99Å; L108-W251 HydrophobicContact CD2-CD2 3.72Å; L108-W251 HydrophobicContact CD2-CE3 4.39Å; L108-W251 HydrophobicContact CD2-CG 3.72Å; L108-W251 HydrophobicContact CD2-CZ2 4.43Å; L108-W251 HydrophobicContact CG-CB 4.12Å; L108-W251 HydrophobicContact CG-CD2 4.31Å; L108-W251 HydrophobicContact CG-CG 3.81Å
109G97.5Very high95.3Very high0 Ų025.8 Ų25.80%017%0.168CC..EExtended strand (participates in β ladder)trans-117153.4169.100000110.6V100 I101 E122 M166V100-G109 WeakPolarHBondContact CA-O 3.34Å; I101-G109 PolarHBondContact N-O 3.01Å; I101-G109 PolarHBondContact O-N 3.32Å; G109-E122 VanDerWaalsContact CA-OE2 3.28Å; G109-E122 WeakPolarHBondContact CA-OE2 3.46Å; G109-M166 WeakPolarHBondContact CA-O 3.35Å
110T97.3Very high95.3Very high0 Ų031.6 Ų31.60%019%0.194CC..EExtended strand (participates in β ladder)trans-117.3136.9178.2660000111.6V80 V82 K99 T165 M166V80-T110 HydrophobicContact CG1-CG2 3.61Å; V82-T110 HydrophobicContact CG1-CG2 4.44Å; K99-T110 CarbonylContact O-C 3.17Å; K99-T110 WeakPolarHBondContact O-CA 3.35Å; T110-T165 PolarHBondContact N-OG1 2.8Å; T110-T165 VanDerWaalsContact O-CA 3.25Å; T110-T165 WeakPolarHBondContact O-CA 3.21Å; T110-T165 WeakPolarHBondContact O-CB 3.4Å; T110-T165 PolarHBondContact O-OG1 2.86Å; T110-M166 HydrophobicContact CG2-CB 4.2Å; T110-M166 HydrophobicContact CG2-CE 3.85Å; T110-M166 PolarHBondContact N-O 3.1Å; T110-M166 WeakPolarHBondContact OG1-CB 3.46Å; T110-M166 WeakPolarHBondContact OG1-CE 3.31Å; T110-M166 PolarHBondContact OG1-N 2.98Å
111M95.6Very high95.3Very high15 Ų1532.3 Ų32.37%0.07420%0.195CC..  trans-93.6106.6-179.4-177.2-172.3-42.900110.4V97 K98 K99 I101 A115 C118 S119V97-M111 HydrophobicContact CG1-SD 4.39Å; K98-M111 VanDerWaalsContact O-CE 3.28Å; K98-M111 WeakPolarHBondContact O-CE 3.25Å; K99-M111 HydrophobicContact CB-CB 4.13Å; K99-M111 WeakPolarHBondContact O-CB 3.34Å; K99-M111 PolarHBondContact O-N 2.76Å; I101-M111 HydrophobicContact CD1-CB 4.46Å; I101-M111 HydrophobicContact CD1-CE 3.9Å; I101-M111 HydrophobicContact CG1-CE 4.04Å; M111-A115 HydrophobicContact SD-CB 3.89Å; M111-C118 HydrophobicContact CB-CB 4.12Å; M111-C118 HydrophobicContact CG-CB 3.62Å; M111-S119 WeakPolarHBondContact CE-OG 3.19Å
112A93.4Very high95.3Very high3 Ų330.9 Ų30.93%0.02519%0.188CC..  trans-137.1136.2162.300000109.3T67 T69 C118 G164 V194T67-A112 HydrophobicContact CG2-CB 4.09Å; T69-A112 HydrophobicContact CG2-CB 4.44Å; A112-C118 PolarHBondContact O-SG 3.45Å; A112-C118 VanDerWaalsContact O-SG 3.32Å; A112-G164 WeakPolarHBondContact CB-O 3.49Å; A112-G164 PolarHBondContact O-N 2.85Å; A112-V194 HydrophobicContact CB-CB 4.25Å; A112-V194 HydrophobicContact CB-CG1 3.78Å
113G91.2Very high95.3Very high22 Ų2235.8 Ų35.823%0.22720%0.202CC..BIsolated β-bridgetrans115.7-149.5-167.700000111.9A115G113-A115 PolarHBondContact O-N 3.14Å
114G92.3Very high95.4Very high9 Ų937.4 Ų37.49%0.09321%0.211CC..  trans-64.3118.2168.100000110.7A116 D117 C118 S162G114-A116 PolarHBondContact O-N 3.32Å; G114-D117 PolarHBondContact O-N 3.34Å; G114-C118 PolarHBondContact O-N 3.45Å; G114-C118 PolarHBondContact O-SG 2.89Å; G114-S162 PolarHBondContact N-O 3.37Å
115A91.7Very high95.6Very high54 Ų5436.3 Ų36.345%0.44621%0.205SC..Hα-helixtrans-59.2-37.6-179.300000112.4M111 G113 S119M111-A115 HydrophobicContact SD-CB 3.89Å; G113-A115 PolarHBondContact O-N 3.14Å; A115-S119 VanDerWaalsContact O-CB 3.25Å; A115-S119 WeakPolarHBondContact O-CB 3.39Å; A115-S119 PolarHBondContact O-N 3.43Å; A115-S119 VanDerWaalsContact O-N 3.1Å; A115-S119 PolarHBondContact O-OG 3.4Å
116A93.4Very high95.7Very high73 Ų7332.6 Ų32.660%0.60318%0.183SC*.Hα-helixtrans-67.3-45.9176.700000111.8G114 S119 F120G114-A116 PolarHBondContact O-N 3.32Å; A116-S119 PolarHBondContact O-N 3.27Å; A116-F120 VanDerWaalsContact O-CB 3.26Å; A116-F120 WeakPolarHBondContact O-CB 3.29Å; A116-F120 PolarHBondContact O-N 3.34Å
117D94.6Very high95.8Very high34 Ų3439.5 Ų39.518%0.18221%0.209CC..Hα-helixtrans-60.3-52.5-179.5-63.8-18.7000110.8G114 S119 F120 W121 S162 M163G114-D117 PolarHBondContact O-N 3.34Å; D117-S119 PolarHBondContact O-N 2.88Å; D117-F120 PolarHBondContact O-N 3.21Å; D117-W121 WeakPolarHBondContact O-CB 3.38Å; D117-W121 PolarHBondContact O-N 2.85Å; D117-S162 PolarHBondContact OD2-N 3.16Å; D117-M163 WeakPolarHBondContact O-CE 3.33Å
118C95Very high95.8Very high0 Ų042.7 Ų42.70%022%0.223CC..Hα-helixtrans-56.8-51.1177.7-630000111.3M111 A112 G114 F120 E122M111-C118 HydrophobicContact CB-CB 4.12Å; M111-C118 HydrophobicContact CG-CB 3.62Å; A112-C118 PolarHBondContact O-SG 3.45Å; A112-C118 VanDerWaalsContact O-SG 3.32Å; G114-C118 PolarHBondContact O-N 3.45Å; G114-C118 PolarHBondContact O-SG 2.89Å; C118-F120 VanDerWaalsContact C-N 3.33Å; C118-F120 PolarHBondContact O-N 3.01Å; C118-E122 VanDerWaalsContact O-CB 3.24Å; C118-E122 WeakPolarHBondContact O-CB 3.12Å; C118-E122 VanDerWaalsContact O-CG 3.28Å; C118-E122 WeakPolarHBondContact O-CG 3.35Å; C118-E122 PolarHBondContact O-N 3.17Å
119S95.6Very high95.8Very high51 Ų5142.7 Ų42.736%0.35722%0.223SC..Hα-helixtrans-61.3-40.4-178.5-59.60000112.7M111 A115 A116 D117 R123M111-S119 WeakPolarHBondContact CE-OG 3.19Å; A115-S119 VanDerWaalsContact O-CB 3.25Å; A115-S119 WeakPolarHBondContact O-CB 3.39Å; A115-S119 PolarHBondContact O-N 3.43Å; A115-S119 VanDerWaalsContact O-N 3.1Å; A115-S119 PolarHBondContact O-OG 3.4Å; A116-S119 PolarHBondContact O-N 3.27Å; D117-S119 PolarHBondContact O-N 2.88Å; S119-R123 WeakPolarHBondContact O-CB 3.36Å; S119-R123 PolarHBondContact O-N 2.89Å
120F97.1Very high95.8Very high126 Ų12648.6 Ų48.655%0.55325%0.246SC*.Hα-helixtrans-71.4-53-178.1177.6-98000111.9A116 D117 C118 R123 L124A116-F120 VanDerWaalsContact O-CB 3.26Å; A116-F120 WeakPolarHBondContact O-CB 3.29Å; A116-F120 PolarHBondContact O-N 3.34Å; D117-F120 PolarHBondContact O-N 3.21Å; C118-F120 VanDerWaalsContact C-N 3.33Å; C118-F120 PolarHBondContact O-N 3.01Å; F120-R123 PolarHBondContact O-N 3.12Å; F120-L124 PolarHBondContact O-N 3.18Å
121W97Very high95.8Very high21 Ų2150.4 Ų50.48%0.0826%0.257CS..Hα-helixtrans-71.1-34.9-174.4-72.7113.3000112.6D117 L124 L125 L149 M152 V153 Y156 L161 M163D117-W121 WeakPolarHBondContact O-CB 3.38Å; D117-W121 PolarHBondContact O-N 2.85Å; W121-L124 HydrophobicContact CE3-CD2 3.72Å; W121-L124 HydrophobicContact CZ3-CD2 3.55Å; W121-L124 PolarHBondContact O-N 2.93Å; W121-L125 WeakPolarHBondContact O-CB 3.39Å; W121-L125 PolarHBondContact O-N 3.27Å; W121-L149 HydrophobicContact CB-CD1 4.12Å; W121-M152 HydrophobicContact CE3-CB 4.12Å; W121-M152 HydrophobicContact CZ3-CB 3.98Å; W121-V153 HydrophobicContact CG-CG2 4.47Å; W121-Y156 AromaticContact CH2-CD2 3.69Å; W121-Y156 HydrophobicContact CH2-CD2 3.69Å; W121-Y156 AromaticContact CH2-CE2 3.37Å; W121-Y156 HydrophobicContact CH2-CE2 3.37Å; W121-Y156 AromaticContact CH2-CZ 3.92Å; W121-Y156 AromaticContact CZ2-CD2 3.79Å; W121-Y156 HydrophobicContact CZ2-CD2 3.79Å; W121-Y156 AromaticContact CZ2-CE2 3.85Å; W121-Y156 HydrophobicContact CZ2-CE2 3.85Å; W121-Y156 HydrophobicContact CZ2-CG 4.2Å; W121-Y156 HydrophobicContact CZ3-CE2 4.43Å; W121-L161 HydrophobicContact CZ2-CD1 4.38Å; W121-M163 HydrophobicContact CB-CE 3.39Å; W121-M163 HydrophobicContact CG-CE 3.83Å
122E97Very high95.9Very high1 Ų153.7 Ų53.71%0.00527%0.269CS..Hα-helixtrans-70.4-34.5174.1-68.1-176.9-153.900111.9I101 G109 C118 L125 A126 T165I101-E122 WeakPolarHBondContact CB-OE2 3.48Å; I101-E122 HydrophobicContact CD1-CB 4.04Å; I101-E122 HydrophobicContact CD1-CG 4.31Å; I101-E122 WeakPolarHBondContact CD1-OE2 3.47Å; I101-E122 HydrophobicContact CG2-CB 4.18Å; G109-E122 VanDerWaalsContact CA-OE2 3.28Å; G109-E122 WeakPolarHBondContact CA-OE2 3.46Å; C118-E122 VanDerWaalsContact O-CB 3.24Å; C118-E122 WeakPolarHBondContact O-CB 3.12Å; C118-E122 VanDerWaalsContact O-CG 3.28Å; C118-E122 WeakPolarHBondContact O-CG 3.35Å; C118-E122 PolarHBondContact O-N 3.17Å; E122-L125 WeakPolarHBondContact O-CB 3.47Å; E122-L125 PolarHBondContact O-N 3.17Å; E122-A126 PolarHBondContact O-N 2.9Å; E122-T165 WeakPolarHBondContact OE1-CB 3.41Å; E122-T165 PolarHBondContact OE1-OG1 3.33Å
123R97.4Very high96Very high199 Ų19955.7 Ų55.775%0.75128%0.278SS*.Hα-helixtrans-67-37.2171.2-173.9173.3-177.3169.60.5112S119 F120 L125 A126 R127S119-R123 WeakPolarHBondContact O-CB 3.36Å; S119-R123 PolarHBondContact O-N 2.89Å; F120-R123 PolarHBondContact O-N 3.12Å; R123-L125 VanDerWaalsContact C-N 3.34Å; R123-A126 WeakPolarHBondContact O-CB 3.29Å; R123-A126 PolarHBondContact O-N 3Å; R123-R127 PolarHBondContact O-N 3.02Å; R123-R127 VanDerWaalsContact O-N 3.15Å
124L97.7Very high96.3Very high42 Ų4260 Ų6022%0.2230%0.295CS..Hα-helixtrans-65.3-40172.5-177.362000111.2F120 W121 R127 Q128 M152F120-L124 PolarHBondContact O-N 3.18Å; W121-L124 HydrophobicContact CE3-CD2 3.72Å; W121-L124 HydrophobicContact CZ3-CD2 3.55Å; W121-L124 PolarHBondContact O-N 2.93Å; L124-R127 WeakPolarHBondContact O-CB 3.47Å; L124-R127 PolarHBondContact O-N 2.89Å; L124-Q128 PolarHBondContact O-N 2.84Å; L124-M152 HydrophobicContact CD2-SD 3.78Å; L124-M152 HydrophobicContact CG-SD 3.99Å
125L97.5Very high96.6Very high0 Ų069.1 Ų69.10%033%0.327CS..Hα-helixtrans-60-45.1173.2177.966.7000111.3I103 W121 E122 R123 R127 Q128 C129 A145 L148 L149 M152I103-L125 HydrophobicContact CD1-CD2 4.02Å; W121-L125 WeakPolarHBondContact O-CB 3.39Å; W121-L125 PolarHBondContact O-N 3.27Å; E122-L125 WeakPolarHBondContact O-CB 3.47Å; E122-L125 PolarHBondContact O-N 3.17Å; R123-L125 VanDerWaalsContact C-N 3.34Å; L125-R127 VanDerWaalsContact C-N 3.3Å; L125-R127 PolarHBondContact O-N 3.01Å; L125-Q128 PolarHBondContact O-N 3.09Å; L125-C129 WeakPolarHBondContact O-CB 3.49Å; L125-C129 PolarHBondContact O-N 3.06Å; L125-C129 PolarHBondContact O-SG 3.28Å; L125-A145 WeakPolarHBondContact CD1-O 3.43Å; L125-L148 HydrophobicContact CD1-CB 4.08Å; L125-L149 HydrophobicContact CB-CD1 4.43Å; L125-L149 HydrophobicContact CD1-CB 4.27Å; L125-L149 HydrophobicContact CD2-CB 4.08Å; L125-L149 HydrophobicContact CD2-CD2 4.19Å; L125-L149 HydrophobicContact CD2-CG 4.5Å; L125-M152 HydrophobicContact CB-CE 4.06Å; L125-M152 HydrophobicContact CD1-CE 4.13Å
126A97.4Very high96.8Very high20 Ų2070.7 Ų70.717%0.16533%0.328CS..Hα-helixtrans-55.3-45.5175.900000111.7I103 E122 R123 Q128 C129 R130I103-A126 HydrophobicContact CG2-CB 3.73Å; I103-A126 VanDerWaalsContact O-CB 3.3Å; I103-A126 WeakPolarHBondContact O-CB 3.09Å; E122-A126 PolarHBondContact O-N 2.9Å; R123-A126 WeakPolarHBondContact O-CB 3.29Å; R123-A126 PolarHBondContact O-N 3Å; A126-Q128 PolarHBondContact O-N 3.24Å; A126-C129 PolarHBondContact O-N 3.43Å; A126-R130 PolarHBondContact O-N 3.14Å
127R97.8Very high97Very high159 Ų15976.6 Ų76.660%0.634%0.34SS*.Hα-helixtrans-57.7-46.4174.2178-176.3172.6-123.50.9111.7R123 L124 L125 R130 V131R123-R127 PolarHBondContact O-N 3.02Å; R123-R127 VanDerWaalsContact O-N 3.15Å; L124-R127 WeakPolarHBondContact O-CB 3.47Å; L124-R127 PolarHBondContact O-N 2.89Å; L125-R127 VanDerWaalsContact C-N 3.3Å; L125-R127 PolarHBondContact O-N 3.01Å; R127-R130 PolarHBondContact O-N 2.85Å; R127-V131 WeakPolarHBondContact O-CG2 3.23Å; R127-V131 PolarHBondContact O-N 2.85Å
128Q97.7Very high97Very high67 Ų6779 Ų7931%0.31335%0.35SS..Hα-helixtrans-69.7-36.6-179.5-61.9-56.81300113.2L124 L125 A126 R130 V131 Y132L124-Q128 PolarHBondContact O-N 2.84Å; L125-Q128 PolarHBondContact O-N 3.09Å; A126-Q128 PolarHBondContact O-N 3.24Å; Q128-R130 VanDerWaalsContact C-N 3.28Å; Q128-R130 PolarHBondContact O-N 2.86Å; Q128-V131 PolarHBondContact O-N 3.16Å; Q128-Y132 WeakPolarHBondContact O-CB 3.31Å; Q128-Y132 PolarHBondContact O-N 3.43Å
129C97.1Very high97Very high0 Ų085.5 Ų85.50%037%0.374CS..Hα-helixtrans-60.1-41.4172.5-64.50000110.7N104 L125 A126 Y132 E133 I140N104-C129 WeakPolarHBondContact ND2-CB 3.43Å; L125-C129 WeakPolarHBondContact O-CB 3.49Å; L125-C129 PolarHBondContact O-N 3.06Å; L125-C129 PolarHBondContact O-SG 3.28Å; A126-C129 PolarHBondContact O-N 3.43Å; C129-Y132 WeakPolarHBondContact O-CB 3.15Å; C129-Y132 PolarHBondContact O-N 2.95Å; C129-E133 PolarHBondContact O-N 3.49Å; C129-I140 HydrophobicContact CB-CG2 3.88Å
130R97Very high97Very high124 Ų12483.2 Ų83.247%0.46836%0.358SS..Hα-helixtrans-66.9-41.3177.2-174.456.8176.71700112.9A126 R127 Q128 Y132 E133 L134A126-R130 PolarHBondContact O-N 3.14Å; R127-R130 PolarHBondContact O-N 2.85Å; Q128-R130 VanDerWaalsContact C-N 3.28Å; Q128-R130 PolarHBondContact O-N 2.86Å; R130-Y132 VanDerWaalsContact C-N 3.34Å; R130-E133 IonicContact CZ-OE2 2.91Å; R130-E133 VanDerWaalsContact NH1-CD 3.27Å; R130-E133 IonicContact NH1-OE1 2.73Å; R130-E133 IonicContact NH1-OE2 3.06Å; R130-E133 PolarHBondContact NH1-OE2 2.91Å; R130-E133 PolarHBondContact O-N 3.35Å; R130-L134 WeakPolarHBondContact O-CG 3.4Å; R130-L134 PolarHBondContact O-N 3.4Å; R130-L134 VanDerWaalsContact O-N 3.1Å
131V97.8Very high97Very high39 Ų3978.7 Ų78.724%0.23634%0.343CS..Hα-helixtrans-64.1-41.1175.5171.50000111.1R127 Q128 E133 L134 R135R127-V131 WeakPolarHBondContact O-CG2 3.23Å; R127-V131 PolarHBondContact O-N 2.85Å; Q128-V131 PolarHBondContact O-N 3.16Å; V131-E133 VanDerWaalsContact C-N 3.33Å; V131-E133 PolarHBondContact O-N 3.01Å; V131-L134 PolarHBondContact O-N 3.32Å; V131-R135 HydrophobicContact CG1-CG 4.47Å; V131-R135 WeakPolarHBondContact O-CG 3.25Å; V131-R135 PolarHBondContact O-N 3.01Å; V131-R135 VanDerWaalsContact O-N 3.09Å
132Y97.8Very high97Very high83 Ų8377.9 Ų77.933%0.32534%0.34SS..Hα-helixtrans-58.8-46.4174.9-179.8-84.9000111.4Q128 C129 R130 L134 R135 N136 I140Q128-Y132 WeakPolarHBondContact O-CB 3.31Å; Q128-Y132 PolarHBondContact O-N 3.43Å; C129-Y132 WeakPolarHBondContact O-CB 3.15Å; C129-Y132 PolarHBondContact O-N 2.95Å; R130-Y132 VanDerWaalsContact C-N 3.34Å; Y132-L134 VanDerWaalsContact C-N 3.35Å; Y132-L134 PolarHBondContact O-N 3.36Å; Y132-R135 PolarHBondContact O-N 3.09Å; Y132-N136 WeakPolarHBondContact CD2-ND2 3.42Å; Y132-N136 HydrophobicContact CE1-CB 4.38Å; Y132-N136 WeakPolarHBondContact CE2-ND2 3.5Å; Y132-N136 VanDerWaalsContact CZ-ND2 3.33Å; Y132-N136 PolarHBondContact O-N 3.43Å; Y132-N136 PolarHBondContact O-ND2 2.95Å; Y132-I140 HydrophobicContact CD1-CB 3.65Å; Y132-I140 HydrophobicContact CD1-CD1 4.42Å; Y132-I140 HydrophobicContact CD1-CG1 3.99Å; Y132-I140 HydrophobicContact CD2-CD1 4.5Å; Y132-I140 HydrophobicContact CE1-CB 3.99Å; Y132-I140 HydrophobicContact CE1-CG1 4.14Å; Y132-I140 HydrophobicContact CG-CB 4.26Å; Y132-I140 HydrophobicContact CG-CD1 4.2Å; Y132-I140 HydrophobicContact CG-CG1 4.26Å
133E96.1Very high97Very high45 Ų4579.3 Ų79.321%0.2135%0.352CS..Hα-helixtrans-60.2-43.4179.3-171.8-176-172.100112.2C129 R130 V131 K137 E138C129-E133 PolarHBondContact O-N 3.49Å; R130-E133 IonicContact CZ-OE2 2.91Å; R130-E133 VanDerWaalsContact NH1-CD 3.27Å; R130-E133 IonicContact NH1-OE1 2.73Å; R130-E133 IonicContact NH1-OE2 3.06Å; R130-E133 PolarHBondContact NH1-OE2 2.91Å; R130-E133 PolarHBondContact O-N 3.35Å; V131-E133 VanDerWaalsContact C-N 3.33Å; V131-E133 PolarHBondContact O-N 3.01Å; E133-K137 WeakPolarHBondContact O-CA 3.4Å; E133-K137 PolarHBondContact O-N 3.24Å; E133-E138 WeakPolarHBondContact CA-O 3.47Å
134L97.4Very high97Very high114 Ų11471.3 Ų71.360%0.59733%0.328SS*.Hα-helixtrans-68-35.8178.7-68.5173.3000113.1R130 V131 Y132R130-L134 WeakPolarHBondContact O-CG 3.4Å; R130-L134 PolarHBondContact O-N 3.4Å; R130-L134 VanDerWaalsContact O-N 3.1Å; V131-L134 PolarHBondContact O-N 3.32Å; Y132-L134 VanDerWaalsContact C-N 3.35Å; Y132-L134 PolarHBondContact O-N 3.36Å
135R97.9Very high97Very high199 Ų19969.3 Ų69.375%0.75132%0.318SS*.Hα-helixtrans-72.5-44.7-179.9-74.4175.7177.4173.60.1112.3V131 Y132V131-R135 HydrophobicContact CG1-CG 4.47Å; V131-R135 WeakPolarHBondContact O-CG 3.25Å; V131-R135 PolarHBondContact O-N 3.01Å; V131-R135 VanDerWaalsContact O-N 3.09Å; Y132-R135 PolarHBondContact O-N 3.09Å
136N96.9Very high97Very high88 Ų8869.3 Ų69.347%0.47132%0.318SS..Hα-helixtrans-96.2-9.9-172.7-59.2-58000113.1Y132 E138Y132-N136 WeakPolarHBondContact CD2-ND2 3.42Å; Y132-N136 HydrophobicContact CE1-CB 4.38Å; Y132-N136 WeakPolarHBondContact CE2-ND2 3.5Å; Y132-N136 VanDerWaalsContact CZ-ND2 3.33Å; Y132-N136 PolarHBondContact O-N 3.43Å; Y132-N136 PolarHBondContact O-ND2 2.95Å; N136-E138 HydrophobicContact CB-CB 4.45Å; N136-E138 PolarHBondContact O-N 3.29Å
137K96.7Very high97Very high196 Ų19673.2 Ų73.285%0.85233%0.331SS*.SBendtrans5528.2-171.2-56179.1-179.91780112.6E133E133-K137 WeakPolarHBondContact O-CA 3.4Å; E133-K137 PolarHBondContact O-N 3.24Å
138E95.2Very high97Very high85 Ų8568.9 Ų68.940%0.39732%0.319SS..SBendtrans-141.5141.8-177-169.5-176.7128.600109.8E133 N136 K172E133-E138 WeakPolarHBondContact CA-O 3.47Å; N136-E138 HydrophobicContact CB-CB 4.45Å; N136-E138 PolarHBondContact O-N 3.29Å; E138-K172 WeakPolarHBondContact OE1-CE 3.32Å; E138-K172 IonicContact OE1-NZ 2.76Å; E138-K172 PolarHBondContact OE1-NZ 3.22Å; E138-K172 IonicContact OE2-NZ 3.83Å; E138-K172 PolarHBondContact OE2-NZ 2.79Å
139R94.3Very high96.9Very high136 Ų13665.7 Ų65.751%0.51331%0.305SS..PPolyproline II helixtrans-63.1146175.1-62.6-179.8-176178.60.7110.6Y106Y106-R139 HydrophobicContact CE1-CB 4.49Å; Y106-R139 HydrophobicContact CE1-CG 4.14Å; Y106-R139 HydrophobicContact CE2-CB 4.23Å
140I96.6Very high96.9Very high3 Ų365.8 Ų65.82%0.01531%0.305CS..PPolyproline II helixtrans-74.2143.2176.5-166.1170.6000110.7Y106 L107 C129 Y132 A144 A145 L148Y106-I140 HydrophobicContact CE2-CG2 4.22Å; L107-I140 HydrophobicContact CD1-CG2 3.9Å; C129-I140 HydrophobicContact CB-CG2 3.88Å; Y132-I140 HydrophobicContact CD1-CB 3.65Å; Y132-I140 HydrophobicContact CD1-CD1 4.42Å; Y132-I140 HydrophobicContact CD1-CG1 3.99Å; Y132-I140 HydrophobicContact CD2-CD1 4.5Å; Y132-I140 HydrophobicContact CE1-CB 3.99Å; Y132-I140 HydrophobicContact CE1-CG1 4.14Å; Y132-I140 HydrophobicContact CG-CB 4.26Å; Y132-I140 HydrophobicContact CG-CD1 4.2Å; Y132-I140 HydrophobicContact CG-CG1 4.26Å; I140-A144 HydrophobicContact CD1-CB 4.08Å; I140-A144 HydrophobicContact CG1-CB 3.77Å; I140-A145 HydrophobicContact CD1-CB 4.27Å; I140-A145 HydrophobicContact CG2-CB 4.31Å; I140-L148 HydrophobicContact CD1-CD1 3.61Å
141S96.8Very high96.9Very high32 Ų3263.3 Ų63.322%0.22430%0.301CS..PPolyproline II helixtrans-69.6149.1171.759.80000112.2A143 A144 A145 D171S141-A143 PolarHBondContact O-N 2.96Å; S141-A144 PolarHBondContact O-N 3.36Å; S141-A144 VanDerWaalsContact O-N 3.12Å; S141-A144 WeakPolarHBondContact OG-CB 3.5Å; S141-A144 PolarHBondContact OG-N 3.1Å; S141-A145 WeakPolarHBondContact O-CB 3.4Å; S141-A145 PolarHBondContact O-N 2.77Å; S141-D171 WeakPolarHBondContact CA-OD2 3.41Å; S141-D171 WeakPolarHBondContact CB-OD2 3.35Å
142V96.8Very high96.8Very high3 Ų362.8 Ų62.82%0.01830%0.296CS..Hα-helixtrans-59.8-35.3173.6-172.20000110.4L107 S146 V167 D171 Y178L107-V142 HydrophobicContact CD2-CB 4.34Å; L107-V142 HydrophobicContact CD2-CG1 4.29Å; L107-V142 HydrophobicContact CD2-CG2 3.81Å; V142-S146 WeakPolarHBondContact O-CB 3.41Å; V142-S146 PolarHBondContact O-N 2.98Å; V142-S146 PolarHBondContact O-OG 3Å; V142-V167 HydrophobicContact CG1-CG1 4.16Å; V142-D171 HydrophobicContact CG2-CB 4.12Å; V142-Y178 HydrophobicContact CB-CD2 4.49Å; V142-Y178 HydrophobicContact CB-CE2 4.33Å; V142-Y178 HydrophobicContact CG1-CD2 3.71Å; V142-Y178 HydrophobicContact CG1-CE2 4.02Å
143A97.1Very high96.7Very high31 Ų3158.8 Ų58.826%0.25628%0.281SS..Hα-helixtrans-63.8-43175.900000112.4S141 S146 K147 Y178 R186S141-A143 PolarHBondContact O-N 2.96Å; A143-S146 PolarHBondContact O-OG 3.43Å; A143-K147 WeakPolarHBondContact O-CB 3.08Å; A143-K147 PolarHBondContact O-N 2.95Å; A143-Y178 HydrophobicContact CB-CE2 4.29Å; A143-Y178 WeakPolarHBondContact CB-OH 3.47Å; A143-R186 PolarHBondContact O-NH2 3.28Å
144A97.2Very high96.7Very high31 Ų3163.4 Ų63.426%0.25630%0.297SS..Hα-helixtrans-71.8-42.2177.400000111.6I140 S141 S146 K147 L148I140-A144 HydrophobicContact CD1-CB 4.08Å; I140-A144 HydrophobicContact CG1-CB 3.77Å; S141-A144 PolarHBondContact O-N 3.36Å; S141-A144 VanDerWaalsContact O-N 3.12Å; S141-A144 WeakPolarHBondContact OG-CB 3.5Å; S141-A144 PolarHBondContact OG-N 3.1Å; A144-S146 PolarHBondContact O-N 2.9Å; A144-K147 PolarHBondContact O-N 2.99Å; A144-L148 WeakPolarHBondContact O-CG 3.4Å; A144-L148 PolarHBondContact O-N 3.46Å
145A97.4Very high96.6Very high0 Ų064.8 Ų64.80%030%0.301CS..Hα-helixtrans-58.8-48.8177.300000111.8L107 L125 I140 S141 K147 L148 L149L107-A145 HydrophobicContact CD1-CB 4.04Å; L125-A145 WeakPolarHBondContact CD1-O 3.43Å; I140-A145 HydrophobicContact CD1-CB 4.27Å; I140-A145 HydrophobicContact CG2-CB 4.31Å; S141-A145 WeakPolarHBondContact O-CB 3.4Å; S141-A145 PolarHBondContact O-N 2.77Å; A145-K147 VanDerWaalsContact C-N 3.3Å; A145-K147 PolarHBondContact O-N 3.42Å; A145-L148 PolarHBondContact O-N 3.16Å; A145-L149 PolarHBondContact O-N 3.48Å
146S97.2Very high96.4Very high0 Ų060 Ų600%028%0.283CS..Hα-helixtrans-62.3-35.717656.30000112.7V142 A143 A144 L149 A150 R186V142-S146 WeakPolarHBondContact O-CB 3.41Å; V142-S146 PolarHBondContact O-N 2.98Å; V142-S146 PolarHBondContact O-OG 3Å; A143-S146 PolarHBondContact O-OG 3.43Å; A144-S146 PolarHBondContact O-N 2.9Å; S146-L149 PolarHBondContact O-N 3.11Å; S146-A150 WeakPolarHBondContact O-CB 3.38Å; S146-A150 PolarHBondContact O-N 3.09Å; S146-R186 PolarHBondContact OG-NE 3.36Å; S146-R186 PolarHBondContact OG-NH2 3.15Å
147K97.7Very high96.2Very high103 Ų10360.3 Ų60.345%0.44828%0.281SS..Hα-helixtrans-71.7-38177.5-173.155.6173.9161.60112.5A143 A144 A145 L149 A150 N151A143-K147 WeakPolarHBondContact O-CB 3.08Å; A143-K147 PolarHBondContact O-N 2.95Å; A144-K147 PolarHBondContact O-N 2.99Å; A145-K147 VanDerWaalsContact C-N 3.3Å; A145-K147 PolarHBondContact O-N 3.42Å; K147-L149 VanDerWaalsContact C-N 3.33Å; K147-A150 PolarHBondContact O-N 3.05Å; K147-N151 WeakPolarHBondContact CE-OD1 3.41Å; K147-N151 PolarHBondContact NZ-OD1 2.97Å; K147-N151 VanDerWaalsContact NZ-OD1 3.14Å; K147-N151 WeakPolarHBondContact O-CB 3.4Å; K147-N151 PolarHBondContact O-N 3.34Å; K147-N151 PolarHBondContact O-OD1 2.87Å
148L97.3Very high95.9Very high68 Ų6854.6 Ų54.636%0.35628%0.277SS..Hα-helixtrans-60.6-45.2172.9-74176.8000110.8L125 I140 A144 A145 N151 M152L125-L148 HydrophobicContact CD1-CB 4.08Å; I140-L148 HydrophobicContact CD1-CD1 3.61Å; A144-L148 WeakPolarHBondContact O-CG 3.4Å; A144-L148 PolarHBondContact O-N 3.46Å; A145-L148 PolarHBondContact O-N 3.16Å; L148-N151 PolarHBondContact O-N 3.27Å; L148-M152 WeakPolarHBondContact O-CG 3.42Å; L148-M152 PolarHBondContact O-N 3.3Å
149L96.9Very high95.8Very high0 Ų056.8 Ų56.80%029%0.289CS..Hα-helixtrans-61.4-50.4177.4-174.361.1000111.9W121 L125 A145 S146 K147 N151 M152 V153 M163 T165 V167 V180W121-L149 HydrophobicContact CB-CD1 4.12Å; L125-L149 HydrophobicContact CB-CD1 4.43Å; L125-L149 HydrophobicContact CD1-CB 4.27Å; L125-L149 HydrophobicContact CD2-CB 4.08Å; L125-L149 HydrophobicContact CD2-CD2 4.19Å; L125-L149 HydrophobicContact CD2-CG 4.5Å; A145-L149 PolarHBondContact O-N 3.48Å; S146-L149 PolarHBondContact O-N 3.11Å; K147-L149 VanDerWaalsContact C-N 3.33Å; L149-N151 VanDerWaalsContact C-N 3.26Å; L149-N151 PolarHBondContact O-N 2.99Å; L149-M152 HydrophobicContact CD1-CE 3.98Å; L149-M152 PolarHBondContact O-N 2.94Å; L149-M152 VanDerWaalsContact O-N 3.11Å; L149-V153 HydrophobicContact CD1-CG2 4.09Å; L149-V153 HydrophobicContact CG-CG2 4.38Å; L149-V153 WeakPolarHBondContact O-CG2 3.35Å; L149-V153 PolarHBondContact O-N 3.22Å; L149-M163 HydrophobicContact CD2-SD 4.44Å; L149-T165 HydrophobicContact CD2-CG2 3.44Å; L149-T165 VanDerWaalsContact CD2-CG2 3.44Å; L149-V167 HydrophobicContact CD2-CG2 4.1Å; L149-V180 HydrophobicContact CD2-CB 4.39Å; L149-V180 HydrophobicContact CD2-CG1 4.26Å; L149-V180 HydrophobicContact CG-CG1 4.22Å
150A97.1Very high95.6Very high2 Ų252.8 Ų52.82%0.01729%0.29CS..Hα-helixtrans-56.8-41.217800000111.9S146 K147 Y154 V180 R186S146-A150 WeakPolarHBondContact O-CB 3.38Å; S146-A150 PolarHBondContact O-N 3.09Å; K147-A150 PolarHBondContact O-N 3.05Å; A150-Y154 WeakPolarHBondContact O-CB 3.5Å; A150-Y154 PolarHBondContact O-N 2.89Å; A150-V180 HydrophobicContact CB-CG1 3.92Å; A150-R186 HydrophobicContact CB-CB 4.18Å
151N97Very high95.4Very high72 Ų7254.4 Ų54.439%0.38530%0.298SS..Hα-helixtrans-68.1-37.7177.9-70.1-6.1000112.8K147 L148 L149 Q155K147-N151 WeakPolarHBondContact CE-OD1 3.41Å; K147-N151 PolarHBondContact NZ-OD1 2.97Å; K147-N151 VanDerWaalsContact NZ-OD1 3.14Å; K147-N151 WeakPolarHBondContact O-CB 3.4Å; K147-N151 PolarHBondContact O-N 3.34Å; K147-N151 PolarHBondContact O-OD1 2.87Å; L148-N151 PolarHBondContact O-N 3.27Å; L149-N151 VanDerWaalsContact C-N 3.26Å; L149-N151 PolarHBondContact O-N 2.99Å; N151-Q155 WeakPolarHBondContact O-CG 3.32Å
152M95.3Very high95.2Very high27 Ų2753.5 Ų53.513%0.13329%0.292CS..Hα-helixtrans-64.7-47.7175.7-72.8-173.9-63.700110.8W121 L124 L125 L148 L149 Q155 Y156W121-M152 HydrophobicContact CE3-CB 4.12Å; W121-M152 HydrophobicContact CZ3-CB 3.98Å; L124-M152 HydrophobicContact CD2-SD 3.78Å; L124-M152 HydrophobicContact CG-SD 3.99Å; L125-M152 HydrophobicContact CB-CE 4.06Å; L125-M152 HydrophobicContact CD1-CE 4.13Å; L148-M152 WeakPolarHBondContact O-CG 3.42Å; L148-M152 PolarHBondContact O-N 3.3Å; L149-M152 HydrophobicContact CD1-CE 3.98Å; L149-M152 PolarHBondContact O-N 2.94Å; L149-M152 VanDerWaalsContact O-N 3.11Å; M152-Q155 PolarHBondContact O-N 2.86Å; M152-Y156 WeakPolarHBondContact O-CD2 3.42Å
153V95Very high94.9Very high0 Ų053.8 Ų53.80%029%0.293CS..Hα-helixtrans-68.6-38.1-177.8174.80000111.6W121 L149 Q155 Y156 L161 M163W121-V153 HydrophobicContact CG-CG2 4.47Å; L149-V153 HydrophobicContact CD1-CG2 4.09Å; L149-V153 HydrophobicContact CG-CG2 4.38Å; L149-V153 WeakPolarHBondContact O-CG2 3.35Å; L149-V153 PolarHBondContact O-N 3.22Å; V153-Q155 PolarHBondContact O-N 3.3Å; V153-Y156 PolarHBondContact O-N 3.35Å; V153-L161 HydrophobicContact CG1-CD1 4.28Å; V153-M163 HydrophobicContact CG2-SD 4.03Å
154Y96.2Very high94.8Very high142 Ų14252.5 Ų52.556%0.55728%0.283SS*.Hα-helixtrans-60.8-28.4178.9-173.3-103.3000113.6A150 Y156 K157A150-Y154 WeakPolarHBondContact O-CB 3.5Å; A150-Y154 PolarHBondContact O-N 2.89Å; Y154-Y156 PolarHBondContact O-N 2.98Å; Y154-K157 HydrophobicContact CD2-CB 4.49Å; Y154-K157 HydrophobicContact CD2-CD 4Å; Y154-K157 HydrophobicContact CE2-CD 3.67Å; Y154-K157 VanDerWaalsContact O-CB 3.27Å; Y154-K157 WeakPolarHBondContact O-CB 3.42Å; Y154-K157 PolarHBondContact O-N 3.49Å; Y154-K157 VanDerWaalsContact O-N 3.16Å
155Q95.5Very high94.7Very high142 Ų14251 Ų5166%0.66427%0.271SS*.THydrogen-bonded Turntrans-63.3-21.9175.1-69173.612.300113N151 M152 V153N151-Q155 WeakPolarHBondContact O-CG 3.32Å; M152-Q155 PolarHBondContact O-N 2.86Å; V153-Q155 PolarHBondContact O-N 3.3Å
156Y94.7Very high94.8Very high98 Ų9851 Ų5138%0.38427%0.271SS..THydrogen-bonded Turntrans-108.517.9-179.4-66.6-96.6000111.8W121 M152 V153 Y154 G158 M159 L161W121-Y156 AromaticContact CH2-CD2 3.69Å; W121-Y156 HydrophobicContact CH2-CD2 3.69Å; W121-Y156 AromaticContact CH2-CE2 3.37Å; W121-Y156 HydrophobicContact CH2-CE2 3.37Å; W121-Y156 AromaticContact CH2-CZ 3.92Å; W121-Y156 AromaticContact CZ2-CD2 3.79Å; W121-Y156 HydrophobicContact CZ2-CD2 3.79Å; W121-Y156 AromaticContact CZ2-CE2 3.85Å; W121-Y156 HydrophobicContact CZ2-CE2 3.85Å; W121-Y156 HydrophobicContact CZ2-CG 4.2Å; W121-Y156 HydrophobicContact CZ3-CE2 4.43Å; M152-Y156 WeakPolarHBondContact O-CD2 3.42Å; V153-Y156 PolarHBondContact O-N 3.35Å; Y154-Y156 PolarHBondContact O-N 2.98Å; Y156-G158 PolarHBondContact O-N 3.48Å; Y156-M159 HydrophobicContact CD1-SD 3.59Å; Y156-M159 VanDerWaalsContact CD1-SD 3.59Å; Y156-M159 HydrophobicContact CE1-SD 4.4Å; Y156-M159 HydrophobicContact CG-SD 4.27Å; Y156-M159 WeakPolarHBondContact O-CB 3.32Å; Y156-M159 PolarHBondContact O-N 3.18Å; Y156-M159 VanDerWaalsContact O-N 3.09Å; Y156-L161 VanDerWaalsContact CB-CD1 3.42Å; Y156-L161 HydrophobicContact CG-CD1 4.23Å
157K92.9Very high94.8Very high96 Ų9651 Ų5142%0.41727%0.271SS..THydrogen-bonded Turntrans-57.9132.1177.2-178.2167.6-175.2149.80110.6Y154 M159 E183Y154-K157 HydrophobicContact CD2-CB 4.49Å; Y154-K157 HydrophobicContact CD2-CD 4Å; Y154-K157 HydrophobicContact CE2-CD 3.67Å; Y154-K157 VanDerWaalsContact O-CB 3.27Å; Y154-K157 WeakPolarHBondContact O-CB 3.42Å; Y154-K157 PolarHBondContact O-N 3.49Å; Y154-K157 VanDerWaalsContact O-N 3.16Å; K157-M159 VanDerWaalsContact C-N 3.29Å; K157-M159 PolarHBondContact O-N 3.49Å; K157-E183 VanDerWaalsContact CE-OE2 3.28Å; K157-E183 WeakPolarHBondContact CE-OE2 3.44Å; K157-E183 PolarHBondContact NZ-O 3.42Å; K157-E183 IonicContact NZ-OE2 3.5Å; K157-E183 PolarHBondContact NZ-OE2 3.32Å
158G90.4Very high94.8Very high76 Ų7646.1 Ų46.178%0.78425%0.25SC*.THydrogen-bonded Turntrans81.2-0.8-178.200000115.1Y156 G160Y156-G158 PolarHBondContact O-N 3.48Å; G158-G160 VanDerWaalsContact C-N 3.3Å; G158-G160 PolarHBondContact O-N 3.05Å
159M92.6Very high94.8Very high131 Ų13142.9 Ų42.965%0.64523%0.233SC*.THydrogen-bonded Turntrans-90.313177.1-56.1-172.6-171.800113.6Y156 K157Y156-M159 HydrophobicContact CD1-SD 3.59Å; Y156-M159 VanDerWaalsContact CD1-SD 3.59Å; Y156-M159 HydrophobicContact CE1-SD 4.4Å; Y156-M159 HydrophobicContact CG-SD 4.27Å; Y156-M159 WeakPolarHBondContact O-CB 3.32Å; Y156-M159 PolarHBondContact O-N 3.18Å; Y156-M159 VanDerWaalsContact O-N 3.09Å; K157-M159 VanDerWaalsContact C-N 3.29Å; K157-M159 PolarHBondContact O-N 3.49Å
160G90.1Very high94.7Very high51 Ų5146.3 Ų46.353%0.52625%0.246SC..THydrogen-bonded Turntrans7921.8177.600000115.3F63 G158F63-G160 WeakPolarHBondContact CE2-O 3.31Å; G158-G160 VanDerWaalsContact C-N 3.3Å; G158-G160 PolarHBondContact O-N 3.05Å
161L91.8Very high94.5Very high37 Ų3747.7 Ų47.719%0.19425%0.253CS..  trans-65.8141169.4-70.4-174.6000110.8W121 V153 Y156 S182W121-L161 HydrophobicContact CZ2-CD1 4.38Å; V153-L161 HydrophobicContact CG1-CD1 4.28Å; Y156-L161 VanDerWaalsContact CB-CD1 3.42Å; Y156-L161 HydrophobicContact CG-CD1 4.23Å; L161-S182 VanDerWaalsContact O-CB 3.28Å; L161-S182 WeakPolarHBondContact O-CB 3.38Å; L161-S182 PolarHBondContact O-OG 3.37Å
162S92Very high94.2Very high14 Ų1451.7 Ų51.710%0.09827%0.267CS..  trans-126.3104.8173.9-172.90000110.7H65 G114 D117H65-S162 PolarHBondContact NE2-OG 3.01Å; G114-S162 PolarHBondContact N-O 3.37Å; D117-S162 PolarHBondContact OD2-N 3.16Å
163M92.2Very high94Very high8 Ų856.6 Ų56.64%0.03930%0.298CS..BIsolated β-bridgetrans-147.2133179.9177.8-174.9-72.100109.9D117 W121 L149 V153 T165 D181 S182D117-M163 WeakPolarHBondContact O-CE 3.33Å; W121-M163 HydrophobicContact CB-CE 3.39Å; W121-M163 HydrophobicContact CG-CE 3.83Å; L149-M163 HydrophobicContact CD2-SD 4.44Å; V153-M163 HydrophobicContact CG2-SD 4.03Å; M163-T165 HydrophobicContact CG-CG2 4.04Å; M163-T165 HydrophobicContact SD-CG2 3.78Å; M163-D181 CarbonylContact O-C 3.54Å; M163-D181 VanDerWaalsContact O-CA 3.23Å; M163-D181 WeakPolarHBondContact O-CA 3.43Å; M163-S182 PolarHBondContact O-N 3.16Å
164G94.1Very high93.9Very high4 Ų457.2 Ų57.24%0.04131%0.305CS..EExtended strand (participates in β ladder)trans-13694.1163.300000107.7A112A112-G164 WeakPolarHBondContact CB-O 3.49Å; A112-G164 PolarHBondContact O-N 2.85Å
165T96.3Very high93.9Very high0 Ų052 Ų520%029%0.288CS..EExtended strand (participates in β ladder)trans-112.1146.8-177.4-1770000111.3T110 E122 L149 M163 V180T110-T165 PolarHBondContact N-OG1 2.8Å; T110-T165 VanDerWaalsContact O-CA 3.25Å; T110-T165 WeakPolarHBondContact O-CA 3.21Å; T110-T165 WeakPolarHBondContact O-CB 3.4Å; T110-T165 PolarHBondContact O-OG1 2.86Å; E122-T165 WeakPolarHBondContact OE1-CB 3.41Å; E122-T165 PolarHBondContact OE1-OG1 3.33Å; L149-T165 HydrophobicContact CD2-CG2 3.44Å; L149-T165 VanDerWaalsContact CD2-CG2 3.44Å; M163-T165 HydrophobicContact CG-CG2 4.04Å; M163-T165 HydrophobicContact SD-CG2 3.78Å; T165-V180 HydrophobicContact CG2-CB 4.24Å; T165-V180 PolarHBondContact N-O 3.26Å; T165-V180 PolarHBondContact O-N 2.84Å
166M97.9Very high94Very high0 Ų045.6 Ų45.60%026%0.26CS..EExtended strand (participates in β ladder)trans-105.5119.8171.6-63173.5-72.900108.2T69 A71 G109 T110 L177 Y178 Y179 F192 V194T69-M166 VanDerWaalsContact OG1-CE 3.27Å; T69-M166 WeakPolarHBondContact OG1-CE 3.27Å; A71-M166 HydrophobicContact CB-CE 4.21Å; A71-M166 HydrophobicContact CB-SD 3.81Å; G109-M166 WeakPolarHBondContact CA-O 3.35Å; T110-M166 HydrophobicContact CG2-CB 4.2Å; T110-M166 HydrophobicContact CG2-CE 3.85Å; T110-M166 PolarHBondContact N-O 3.1Å; T110-M166 WeakPolarHBondContact OG1-CB 3.46Å; T110-M166 WeakPolarHBondContact OG1-CE 3.31Å; T110-M166 PolarHBondContact OG1-N 2.98Å; M166-L177 HydrophobicContact CB-CD1 4.23Å; M166-Y178 CarbonylContact C-O 3.54Å; M166-Y178 VanDerWaalsContact CA-O 3.27Å; M166-Y178 WeakPolarHBondContact CA-O 3.19Å; M166-Y179 HydrophobicContact CG-CD2 4.29Å; M166-F192 HydrophobicContact CG-CB 4.16Å; M166-F192 HydrophobicContact SD-CB 3.41Å; M166-F192 WeakPolarHBondContact SD-CB 3.48Å; M166-V194 HydrophobicContact CE-CG2 4.2Å; M166-V194 HydrophobicContact CG-CG2 4.04Å; M166-V194 HydrophobicContact SD-CG2 3.95Å
167V97.8Very high94.1Very high1 Ų140.9 Ų40.91%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-92111.5173.4-174.70000107.9L107 V142 L149 Y178 V180L107-V167 HydrophobicContact CD2-CG1 4.35Å; V142-V167 HydrophobicContact CG1-CG1 4.16Å; L149-V167 HydrophobicContact CD2-CG2 4.1Å; V167-Y178 PolarHBondContact N-O 3.07Å; V167-Y178 PolarHBondContact O-N 2.9Å; V167-V180 HydrophobicContact CG2-CG2 4.46Å
168C97.5Very high94.3Very high0 Ų038 Ų380%023%0.229CC..EExtended strand (participates in β ladder)trans-113.4140.5-176.9-50.20000109.5V78 V80 L107 L108 L177 V246V78-C168 HydrophobicContact CG1-CB 4.47Å; V80-C168 HydrophobicContact CG2-CB 3.93Å; L107-C168 WeakPolarHBondContact CA-O 3.43Å; L108-C168 HydrophobicContact CB-CB 4.39Å; L108-C168 PolarHBondContact N-O 3.27Å; L108-C168 PolarHBondContact O-N 3.24Å; C168-L177 WeakPolarHBondContact SG-CD1 3.46Å; C168-V246 HydrophobicContact CB-CG2 4.47Å
169G96.9Very high94.7Very high0 Ų037 Ų370%020%0.202CC..EExtended strand (participates in β ladder)trans-175.9178.9174.500000112.9Y106 G176Y106-G169 WeakPolarHBondContact O-CA 3.38Å; G169-G176 PolarHBondContact N-O 2.95Å; G169-G176 PolarHBondContact O-N 2.84Å
170W95.6Very high95Very high72 Ų7230.8 Ų30.827%0.27317%0.171SC..EExtended strand (participates in β ladder)trans-117.4128.8172.1-163.5-69.9000110G77 P175 V246 H247G77-W170 VanDerWaalsContact CA-CZ3 3.41Å; W170-P175 HydrophobicContact CE3-CB 3.97Å; W170-P175 HydrophobicContact CE3-CG 4.49Å; W170-P175 HydrophobicContact CH2-CG 4.39Å; W170-P175 HydrophobicContact CZ3-CB 4.1Å; W170-P175 HydrophobicContact CZ3-CG 4.21Å; W170-V246 HydrophobicContact CB-CG1 4.32Å; W170-H247 VanDerWaalsContact CB-O 3.29Å; W170-H247 WeakPolarHBondContact CB-O 3.47Å
171D93Very high95.2Very high31 Ų3129.1 Ų29.117%0.16615%0.15CC..EExtended strand (participates in β ladder)trans-127.5-179.2-179.3-169.921.9000111.4S141 V142 T173 G174S141-D171 WeakPolarHBondContact CA-OD2 3.41Å; S141-D171 WeakPolarHBondContact CB-OD2 3.35Å; V142-D171 HydrophobicContact CG2-CB 4.12Å; D171-T173 PolarHBondContact O-N 2.8Å; D171-T173 VanDerWaalsContact O-N 3.14Å; D171-G174 PolarHBondContact N-O 2.9Å; D171-G174 WeakPolarHBondContact O-CA 3.43Å; D171-G174 PolarHBondContact O-N 3.22Å
172K91.3Very high95.3Very high156 Ų15628.3 Ų28.368%0.67815%0.147SC*.THydrogen-bonded Turntrans-51.9-31.2173.8-64.9178173.9179.80113.3E138 G174E138-K172 WeakPolarHBondContact OE1-CE 3.32Å; E138-K172 IonicContact OE1-NZ 2.76Å; E138-K172 PolarHBondContact OE1-NZ 3.22Å; E138-K172 IonicContact OE2-NZ 3.83Å; E138-K172 PolarHBondContact OE2-NZ 2.79Å; K172-G174 VanDerWaalsContact C-N 3.29Å
173T90.6Very high95.2Very high129 Ų12932 Ų3279%0.79116%0.163SC*.THydrogen-bonded Turntrans-85.94.2177.160.40000113.6D171D171-T173 PolarHBondContact O-N 2.8Å; D171-T173 VanDerWaalsContact O-N 3.14Å
174G93.5Very high95.1Very high13 Ų1332.7 Ų32.713%0.13417%0.172CC..EExtended strand (participates in β ladder)trans96.7-157.9-175.900000113.5D171 K172 G176D171-G174 PolarHBondContact N-O 2.9Å; D171-G174 WeakPolarHBondContact O-CA 3.43Å; D171-G174 PolarHBondContact O-N 3.22Å; K172-G174 VanDerWaalsContact C-N 3.29Å; G174-G176 PolarHBondContact O-N 2.6Å
175P95.8Very high95.1Very high33 Ų3336.5 Ų36.521%0.21419%0.192CC..EExtended strand (participates in β ladder)trans-67126.2-178.825.8-31.9000111.2K73 V78 W170K73-P175 WeakPolarHBondContact CE-O 3.34Å; V78-P175 HydrophobicContact CG2-CB 3.72Å; W170-P175 HydrophobicContact CE3-CB 3.97Å; W170-P175 HydrophobicContact CE3-CG 4.49Å; W170-P175 HydrophobicContact CH2-CG 4.39Å; W170-P175 HydrophobicContact CZ3-CB 4.1Å; W170-P175 HydrophobicContact CZ3-CG 4.21Å
176G96.2Very high95.2Very high7 Ų740.4 Ų40.47%0.07221%0.207CC..EExtended strand (participates in β ladder)trans-112.1134178.400000111.4G169 G174G169-G176 PolarHBondContact N-O 2.95Å; G169-G176 PolarHBondContact O-N 2.84Å; G174-G176 PolarHBondContact O-N 2.6Å
177L97.6Very high95.1Very high0 Ų043.9 Ų43.90%023%0.228CC..EExtended strand (participates in β ladder)trans-138121175.6173.861.9000109.2A71 K73 M166 C168 G189 F192A71-L177 HydrophobicContact CB-CD1 3.67Å; A71-L177 HydrophobicContact CB-CD2 4.21Å; K73-L177 HydrophobicContact CD-CB 3.76Å; K73-L177 HydrophobicContact CG-CB 3.91Å; K73-L177 HydrophobicContact CG-CD2 4.27Å; M166-L177 HydrophobicContact CB-CD1 4.23Å; C168-L177 WeakPolarHBondContact SG-CD1 3.46Å; L177-G189 WeakPolarHBondContact CB-O 3.28Å; L177-G189 PolarHBondContact O-N 3.28Å; L177-F192 HydrophobicContact CD1-CD2 4.25Å; L177-F192 HydrophobicContact CD2-CD2 3.87Å; L177-F192 HydrophobicContact CD2-CE2 4.45Å; L177-F192 HydrophobicContact CG-CD2 3.75Å; L177-F192 HydrophobicContact CG-CE2 4.11Å
178Y98.2Very high95.1Very high35 Ų3547.4 Ų47.414%0.13725%0.251CS..EExtended strand (participates in β ladder)trans-131.5132.4-178.8-69.4-94.6000110.6V142 A143 M166 V167 R186 V187 C188V142-Y178 HydrophobicContact CB-CD2 4.49Å; V142-Y178 HydrophobicContact CB-CE2 4.33Å; V142-Y178 HydrophobicContact CG1-CD2 3.71Å; V142-Y178 HydrophobicContact CG1-CE2 4.02Å; A143-Y178 HydrophobicContact CB-CE2 4.29Å; A143-Y178 WeakPolarHBondContact CB-OH 3.47Å; M166-Y178 CarbonylContact C-O 3.54Å; M166-Y178 VanDerWaalsContact CA-O 3.27Å; M166-Y178 WeakPolarHBondContact CA-O 3.19Å; V167-Y178 PolarHBondContact N-O 3.07Å; V167-Y178 PolarHBondContact O-N 2.9Å; Y178-R186 HydrophobicContact CD1-CG 4.41Å; Y178-R186 VanDerWaalsContact CE1-CZ 3.5Å; Y178-V187 CarbonylContact C-O 3.56Å; Y178-V187 VanDerWaalsContact CA-O 3.31Å; Y178-V187 WeakPolarHBondContact CA-O 3.3Å; Y178-C188 HydrophobicContact CD1-CB 3.88Å; Y178-C188 HydrophobicContact CE1-CB 3.55Å
179Y98.1Very high94.9Very high56 Ų5648.2 Ų48.222%0.2226%0.26CS..EExtended strand (participates in β ladder)trans-91.4132167.3174-108.7000109.9M166 D181 R186 V187 V194M166-Y179 HydrophobicContact CG-CD2 4.29Å; Y179-D181 HydrophobicContact CE1-CB 3.97Å; Y179-R186 WeakPolarHBondContact O-CA 3.46Å; Y179-V187 PolarHBondContact N-O 3.37Å; Y179-V187 PolarHBondContact O-N 2.88Å; Y179-V194 HydrophobicContact CD2-CG2 3.65Å; Y179-V194 HydrophobicContact CE2-CB 4.41Å; Y179-V194 HydrophobicContact CE2-CG1 3.95Å; Y179-V194 HydrophobicContact CE2-CG2 3.49Å; Y179-V194 VanDerWaalsContact CE2-CG2 3.49Å
180V97.8Very high94.8Very high0 Ų053 Ų530%029%0.286CS..EExtended strand (participates in β ladder)trans-131.2132177.3-177.90000109.3L149 A150 T165 V167 N185 R186L149-V180 HydrophobicContact CD2-CB 4.39Å; L149-V180 HydrophobicContact CD2-CG1 4.26Å; L149-V180 HydrophobicContact CG-CG1 4.22Å; A150-V180 HydrophobicContact CB-CG1 3.92Å; T165-V180 HydrophobicContact CG2-CB 4.24Å; T165-V180 PolarHBondContact N-O 3.26Å; T165-V180 PolarHBondContact O-N 2.84Å; V167-V180 HydrophobicContact CG2-CG2 4.46Å; V180-N185 WeakPolarHBondContact CA-O 3.42Å; V180-R186 HydrophobicContact CG2-CG 4.34Å
181D94.9Very high94.8Very high16 Ų1651 Ų519%0.08628%0.28CS..EExtended strand (participates in β ladder)trans-123.1171.8179.17216.7000114.5M163 Y179 E183 G184 N185M163-D181 CarbonylContact O-C 3.54Å; M163-D181 VanDerWaalsContact O-CA 3.23Å; M163-D181 WeakPolarHBondContact O-CA 3.43Å; Y179-D181 HydrophobicContact CE1-CB 3.97Å; D181-E183 PolarHBondContact O-N 3.04Å; D181-E183 WeakPolarHBondContact OD1-CA 3.4Å; D181-E183 WeakPolarHBondContact OD1-CB 3.34Å; D181-E183 PolarHBondContact OD1-N 3.42Å; D181-G184 PolarHBondContact O-N 3.34Å; D181-G184 PolarHBondContact OD1-N 3.33Å; D181-N185 PolarHBondContact N-O 3.06Å; D181-N185 WeakPolarHBondContact OD1-CA 3.27Å; D181-N185 VanDerWaalsContact OD1-CB 3.29Å; D181-N185 WeakPolarHBondContact OD1-CB 3.49Å; D181-N185 PolarHBondContact OD1-N 3.42Å; D181-N185 PolarHBondContact OD1-ND2 3.27Å; D181-N185 VanDerWaalsContact OD2-CB 3.31Å; D181-N185 WeakPolarHBondContact OD2-CB 3.32Å; D181-N185 PolarHBondContact OD2-ND2 3.06Å
182S93.4Very high95Very high20 Ų2050.9 Ų50.914%0.1428%0.278CS..THydrogen-bonded Turntrans-64.2-19.8176.950.20000114.4L161 M163 G184L161-S182 VanDerWaalsContact O-CB 3.28Å; L161-S182 WeakPolarHBondContact O-CB 3.38Å; L161-S182 PolarHBondContact O-OG 3.37Å; M163-S182 PolarHBondContact O-N 3.16Å; S182-G184 VanDerWaalsContact C-N 3.26Å; S182-G184 PolarHBondContact O-N 2.83Å
183E91.8Very high95.3Very high91 Ų9143.8 Ų43.843%0.42525%0.248SC..THydrogen-bonded Turntrans-83.2-6.8178.2-65.9-54.6134.200113.1K157 D181K157-E183 VanDerWaalsContact CE-OE2 3.28Å; K157-E183 WeakPolarHBondContact CE-OE2 3.44Å; K157-E183 PolarHBondContact NZ-O 3.42Å; K157-E183 IonicContact NZ-OE2 3.5Å; K157-E183 PolarHBondContact NZ-OE2 3.32Å; D181-E183 PolarHBondContact O-N 3.04Å; D181-E183 WeakPolarHBondContact OD1-CA 3.4Å; D181-E183 WeakPolarHBondContact OD1-CB 3.34Å; D181-E183 PolarHBondContact OD1-N 3.42Å
184G88.9Confident95.5Very high23 Ų2338.5 Ų38.524%0.23722%0.216CC..  trans88.910.6-177.900000113.7D181 S182D181-G184 PolarHBondContact O-N 3.34Å; D181-G184 PolarHBondContact OD1-N 3.33Å; S182-G184 VanDerWaalsContact C-N 3.26Å; S182-G184 PolarHBondContact O-N 2.83Å
185N94.9Very high95.5Very high84 Ų8438.9 Ų38.945%0.44922%0.22SC..  trans-68.2140173-58.6-48.1000109.2V180 D181V180-N185 WeakPolarHBondContact CA-O 3.42Å; D181-N185 PolarHBondContact N-O 3.06Å; D181-N185 WeakPolarHBondContact OD1-CA 3.27Å; D181-N185 VanDerWaalsContact OD1-CB 3.29Å; D181-N185 WeakPolarHBondContact OD1-CB 3.49Å; D181-N185 PolarHBondContact OD1-N 3.42Å; D181-N185 PolarHBondContact OD1-ND2 3.27Å; D181-N185 VanDerWaalsContact OD2-CB 3.31Å; D181-N185 WeakPolarHBondContact OD2-CB 3.32Å; D181-N185 PolarHBondContact OD2-ND2 3.06Å
186R97.1Very high95.4Very high82 Ų8239 Ų3931%0.30922%0.222SC..EExtended strand (participates in β ladder)trans-139.6110.4174.5177.2-176.4169.6-81.57.2108.4A143 S146 A150 Y178 Y179 V180A143-R186 PolarHBondContact O-NH2 3.28Å; S146-R186 PolarHBondContact OG-NE 3.36Å; S146-R186 PolarHBondContact OG-NH2 3.15Å; A150-R186 HydrophobicContact CB-CB 4.18Å; Y178-R186 HydrophobicContact CD1-CG 4.41Å; Y178-R186 VanDerWaalsContact CE1-CZ 3.5Å; Y179-R186 WeakPolarHBondContact O-CA 3.46Å; V180-R186 HydrophobicContact CG2-CG 4.34Å
187V97.4Very high95.3Very high73 Ų7338.7 Ų38.744%0.44222%0.218SC..EExtended strand (participates in β ladder)trans-123.1133.2-175.6-171.90000109.4Y178 Y179 F192Y178-V187 CarbonylContact C-O 3.56Å; Y178-V187 VanDerWaalsContact CA-O 3.31Å; Y178-V187 WeakPolarHBondContact CA-O 3.3Å; Y179-V187 PolarHBondContact N-O 3.37Å; Y179-V187 PolarHBondContact O-N 2.88Å; V187-F192 HydrophobicContact CB-CZ 4.3Å; V187-F192 HydrophobicContact CG1-CE1 4.43Å; V187-F192 HydrophobicContact CG1-CZ 4.13Å
188C96.8Very high95.2Very high74 Ų7439.7 Ų39.750%0.523%0.225SC..EExtended strand (participates in β ladder)trans-90.5139.4169.3-1730000108.5Y178Y178-C188 HydrophobicContact CD1-CB 3.88Å; Y178-C188 HydrophobicContact CE1-CB 3.55Å
189G94.1Very high95Very high18 Ų1844.7 Ų44.719%0.18625%0.252CS..  trans-165.7171.3179.500000112.1L177L177-G189 WeakPolarHBondContact CB-O 3.28Å; L177-G189 PolarHBondContact O-N 3.28Å
190D93.9Very high94.9Very high101 Ų10147 Ų4754%0.5426%0.261SS..SBendtrans-96.4-15.7-179-62.1-43.8000113.2F72 K73F72-D190 CarbonylContact C-O 3.57Å; F72-D190 WeakPolarHBondContact CA-O 3.22Å; K73-D190 HydrophobicContact CB-CB 4.31Å; K73-D190 WeakPolarHBondContact CD-OD1 3.19Å; K73-D190 WeakPolarHBondContact CE-OD1 3.42Å; K73-D190 PolarHBondContact N-O 2.93Å; K73-D190 IonicContact NZ-OD1 3.57Å; K73-D190 PolarHBondContact NZ-OD1 2.86Å
191L95.4Very high94.8Very high30 Ų3047 Ų4716%0.15726%0.261CS..EExtended strand (participates in β ladder)trans-147.1130.3179.4170.766.1000109L70 F72 Y202 V205 D206 L209L70-L191 HydrophobicContact CD1-CD1 3.62Å; F72-L191 HydrophobicContact CB-CB 4.38Å; F72-L191 HydrophobicContact CB-CD1 3.62Å; L191-Y202 HydrophobicContact CD2-CD1 3.87Å; L191-Y202 HydrophobicContact CD2-CE1 4.08Å; L191-Y202 HydrophobicContact CG-CD1 4.17Å; L191-Y202 HydrophobicContact CG-CE1 3.93Å; L191-V205 HydrophobicContact CD1-CB 4.24Å; L191-V205 HydrophobicContact CD1-CG1 3.47Å; L191-V205 VanDerWaalsContact CD1-CG1 3.47Å; L191-V205 HydrophobicContact CD2-CG1 4.1Å; L191-V205 HydrophobicContact CG-CG1 4.45Å; L191-D206 WeakPolarHBondContact CD2-OD1 3.28Å; L191-L209 HydrophobicContact CB-CD1 4.5Å; L191-L209 HydrophobicContact CD1-CD1 4.36Å; L191-L209 HydrophobicContact CD2-CD1 4.08Å
192F97.6Very high94.9Very high27 Ų2749.7 Ų49.712%0.11827%0.27CS..EExtended strand (participates in β ladder)trans-140.5138.8168.6-65.9-67.1000110L70 A71 M166 L177 V187L70-F192 CarbonylContact C-O 3.56Å; L70-F192 WeakPolarHBondContact CA-O 3.36Å; A71-F192 PolarHBondContact N-O 2.75Å; A71-F192 PolarHBondContact O-N 2.77Å; A71-F192 VanDerWaalsContact O-O 3.13Å; M166-F192 HydrophobicContact CG-CB 4.16Å; M166-F192 HydrophobicContact SD-CB 3.41Å; M166-F192 WeakPolarHBondContact SD-CB 3.48Å; L177-F192 HydrophobicContact CD1-CD2 4.25Å; L177-F192 HydrophobicContact CD2-CD2 3.87Å; L177-F192 HydrophobicContact CD2-CE2 4.45Å; L177-F192 HydrophobicContact CG-CD2 3.75Å; L177-F192 HydrophobicContact CG-CE2 4.11Å; V187-F192 HydrophobicContact CB-CZ 4.3Å; V187-F192 HydrophobicContact CG1-CE1 4.43Å; V187-F192 HydrophobicContact CG1-CZ 4.13Å
193A96.5Very high94.9Very high7 Ų751 Ų516%0.05829%0.287CS..EExtended strand (participates in β ladder)trans-126.1135.6163.700000109.1T69 L70 S198 A201 Y202T69-A193 CarbonylContact O-C 3.17Å; T69-A193 WeakPolarHBondContact O-CA 3.42Å; L70-A193 HydrophobicContact CD1-CB 3.95Å; A193-S198 VanDerWaalsContact C-CB 3.49Å; A193-S198 WeakPolarHBondContact O-CB 3.45Å; A193-A201 HydrophobicContact CB-CB 4.11Å; A193-Y202 HydrophobicContact CB-CD1 4.48Å; A193-Y202 HydrophobicContact CB-CD2 3.89Å; A193-Y202 HydrophobicContact CB-CE1 4.25Å; A193-Y202 HydrophobicContact CB-CE2 3.64Å; A193-Y202 HydrophobicContact CB-CG 4.3Å; A193-Y202 PolarHBondContact N-OH 2.98Å; A193-Y202 WeakPolarHBondContact O-CE2 3.22Å; A193-Y202 PolarHBondContact O-OH 3.11Å
194V95.9Very high95Very high18 Ų1848.8 Ų48.811%0.10928%0.277CS..EExtended strand (participates in β ladder)trans-134.4139.4-173.3-169.80000110.2T69 A112 M166 Y179T69-V194 PolarHBondContact N-O 2.83Å; T69-V194 PolarHBondContact O-N 2.92Å; T69-V194 PolarHBondContact OG1-O 3.29Å; A112-V194 HydrophobicContact CB-CB 4.25Å; A112-V194 HydrophobicContact CB-CG1 3.78Å; M166-V194 HydrophobicContact CE-CG2 4.2Å; M166-V194 HydrophobicContact CG-CG2 4.04Å; M166-V194 HydrophobicContact SD-CG2 3.95Å; Y179-V194 HydrophobicContact CD2-CG2 3.65Å; Y179-V194 HydrophobicContact CE2-CB 4.41Å; Y179-V194 HydrophobicContact CE2-CG1 3.95Å; Y179-V194 HydrophobicContact CE2-CG2 3.49Å; Y179-V194 VanDerWaalsContact CE2-CG2 3.49Å
195G93.7Very high95.2Very high21 Ų2147.7 Ų47.722%0.21627%0.266CS..SBendtrans112.6-179.1-179.900000113.3T67 G197 S198T67-G195 CarbonylContact O-C 3.59Å; T67-G195 WeakPolarHBondContact O-CA 3.48Å; G195-G197 VanDerWaalsContact C-N 3.32Å; G195-G197 PolarHBondContact O-N 2.76Å; G195-S198 WeakPolarHBondContact O-CB 3.47Å; G195-S198 PolarHBondContact O-N 3.21Å; G195-S198 VanDerWaalsContact O-N 3.15Å; G195-S198 PolarHBondContact O-OG 3.41Å
196S93.4Very high95.1Very high36 Ų3647.6 Ų47.625%0.25227%0.266SS..THydrogen-bonded Turntrans-55.6-40.2-177.747.30000113.9H65 T67 D234H65-S196 WeakPolarHBondContact O-CB 3.45Å; H65-S196 PolarHBondContact O-OG 2.95Å; H65-S196 VanDerWaalsContact O-OG 3.08Å; T67-S196 PolarHBondContact N-OG 3.32Å; T67-S196 PolarHBondContact O-N 2.89Å; T67-S196 PolarHBondContact O-OG 2.94Å; S196-D234 WeakPolarHBondContact CB-OD2 3.45Å; S196-D234 PolarHBondContact OG-OD2 2.8Å
197G94.4Very high94.7Very high0 Ų047.2 Ų47.20%028%0.276CS..THydrogen-bonded Turntrans-91.98.2-179.100000114.7T67 T68 G195 M199 Y200 A201 D234T67-G197 PolarHBondContact O-N 3.01Å; T68-G197 WeakPolarHBondContact OG1-CA 3.38Å; T68-G197 PolarHBondContact OG1-N 3.27Å; G195-G197 VanDerWaalsContact C-N 3.32Å; G195-G197 PolarHBondContact O-N 2.76Å; G197-M199 VanDerWaalsContact C-N 3.31Å; G197-M199 PolarHBondContact O-N 2.84Å; G197-Y200 PolarHBondContact O-N 3.14Å; G197-Y200 VanDerWaalsContact O-N 3.15Å; G197-A201 PolarHBondContact O-N 3.4Å; G197-D234 PolarHBondContact N-OD2 3.24Å; G197-D234 VanDerWaalsContact N-OD2 3.16Å
198S94.6Very high93.9Very high21 Ų2144.2 Ų44.215%0.14726%0.26CS..Hα-helixtrans-54.4-42.6-178.7550000113.3A193 G195 Y200 A201 Y202A193-S198 VanDerWaalsContact C-CB 3.49Å; A193-S198 WeakPolarHBondContact O-CB 3.45Å; G195-S198 WeakPolarHBondContact O-CB 3.47Å; G195-S198 PolarHBondContact O-N 3.21Å; G195-S198 VanDerWaalsContact O-N 3.15Å; G195-S198 PolarHBondContact O-OG 3.41Å; S198-Y200 VanDerWaalsContact C-N 3.29Å; S198-Y200 PolarHBondContact O-N 2.59Å; S198-A201 WeakPolarHBondContact O-CB 3.44Å; S198-A201 PolarHBondContact O-N 2.78Å; S198-A201 VanDerWaalsContact O-N 3.1Å; S198-Y202 WeakPolarHBondContact O-CD2 3.22Å; S198-Y202 PolarHBondContact O-N 3.09Å
199M94.6Very high93Very high141 Ų14143.2 Ų43.270%0.69525%0.249SC*.Hα-helixtrans-60.7-36.9-179.8-64.7-174.2-69.400112.8G197G197-M199 VanDerWaalsContact C-N 3.31Å; G197-M199 PolarHBondContact O-N 2.84Å
200Y96.2Very high91.8Very high103 Ų10350.6 Ų50.640%0.40428%0.276SS..Hα-helixtrans-71.4-35.9176.5-57.1-61.4000111.7G197 S198 R233 D234G197-Y200 PolarHBondContact O-N 3.14Å; G197-Y200 VanDerWaalsContact O-N 3.15Å; S198-Y200 VanDerWaalsContact C-N 3.29Å; S198-Y200 PolarHBondContact O-N 2.59Å; Y200-R233 HydrophobicContact CD1-CB 3.9Å; Y200-R233 HydrophobicContact CD1-CG 4.23Å; Y200-R233 HydrophobicContact CD2-CB 3.95Å; Y200-R233 HydrophobicContact CE1-CB 3.77Å; Y200-R233 HydrophobicContact CE1-CG 4.25Å; Y200-R233 HydrophobicContact CE2-CB 3.84Å; Y200-R233 HydrophobicContact CG-CB 3.99Å; Y200-D234 HydrophobicContact CD2-CB 4.07Å; Y200-D234 HydrophobicContact CE2-CB 3.94Å
201A95.9Very high90.4Very high0 Ų051.6 Ų51.60%028%0.278CS..Hα-helixtrans-66.5-43.917700000111.8T68 A193 G197 S198 G203 I204 V205 A230T68-A201 HydrophobicContact CG2-CB 4.06Å; A193-A201 HydrophobicContact CB-CB 4.11Å; G197-A201 PolarHBondContact O-N 3.4Å; S198-A201 WeakPolarHBondContact O-CB 3.44Å; S198-A201 PolarHBondContact O-N 2.78Å; S198-A201 VanDerWaalsContact O-N 3.1Å; A201-G203 VanDerWaalsContact C-N 3.34Å; A201-G203 PolarHBondContact O-N 3.35Å; A201-I204 PolarHBondContact O-N 3.28Å; A201-V205 VanDerWaalsContact O-CG2 3.31Å; A201-V205 WeakPolarHBondContact O-CG2 3.39Å; A201-V205 PolarHBondContact O-N 2.91Å; A201-V205 VanDerWaalsContact O-N 3.09Å; A201-A230 HydrophobicContact CB-CB 4.46Å
202Y95.8Very high88.7Confident73 Ų7359.1 Ų59.129%0.28631%0.309SS..Hα-helixtrans-53.8-48.3177.2-82.1-66.3000112L191 A193 S198 I204 V205 D206L191-Y202 HydrophobicContact CD2-CD1 3.87Å; L191-Y202 HydrophobicContact CD2-CE1 4.08Å; L191-Y202 HydrophobicContact CG-CD1 4.17Å; L191-Y202 HydrophobicContact CG-CE1 3.93Å; A193-Y202 HydrophobicContact CB-CD1 4.48Å; A193-Y202 HydrophobicContact CB-CD2 3.89Å; A193-Y202 HydrophobicContact CB-CE1 4.25Å; A193-Y202 HydrophobicContact CB-CE2 3.64Å; A193-Y202 HydrophobicContact CB-CG 4.3Å; A193-Y202 PolarHBondContact N-OH 2.98Å; A193-Y202 WeakPolarHBondContact O-CE2 3.22Å; A193-Y202 PolarHBondContact O-OH 3.11Å; S198-Y202 WeakPolarHBondContact O-CD2 3.22Å; S198-Y202 PolarHBondContact O-N 3.09Å; Y202-I204 VanDerWaalsContact C-N 3.26Å; Y202-I204 PolarHBondContact O-N 3.22Å; Y202-V205 PolarHBondContact O-N 2.77Å; Y202-V205 VanDerWaalsContact O-N 3.17Å; Y202-D206 VanDerWaalsContact O-CB 3.29Å; Y202-D206 WeakPolarHBondContact O-CB 3.48Å; Y202-D206 PolarHBondContact O-N 2.88Å
203G94.3Very high87.8Confident48 Ų4863.6 Ų63.650%0.49533%0.334SS..Hα-helixtrans-58.2-34.7-177.300000114.4A201A201-G203 VanDerWaalsContact C-N 3.34Å; A201-G203 PolarHBondContact O-N 3.35Å
204I93.9Very high87.4Confident44 Ų4463.7 Ų63.723%0.22633%0.334CS..Hα-helixtrans-77-47.2176.9-58.6-58.6000110.7A201 Y202 S207 G208 L222 A226 Q229A201-I204 PolarHBondContact O-N 3.28Å; Y202-I204 VanDerWaalsContact C-N 3.26Å; Y202-I204 PolarHBondContact O-N 3.22Å; I204-S207 PolarHBondContact O-N 2.69Å; I204-S207 PolarHBondContact O-OG 3.15Å; I204-G208 PolarHBondContact O-N 3.33Å; I204-G208 VanDerWaalsContact O-N 3.12Å; I204-L222 HydrophobicContact CG2-CD1 4.23Å; I204-A226 HydrophobicContact CB-CB 4.1Å; I204-A226 HydrophobicContact CG2-CB 4.05Å; I204-Q229 HydrophobicContact CD1-CB 4.24Å; I204-Q229 HydrophobicContact CD1-CG 3.9Å; I204-Q229 HydrophobicContact CG1-CB 3.87Å; I204-Q229 HydrophobicContact CG1-CG 3.93Å
205V93Very high87.2Confident0 Ų066 Ų660%035%0.348CS..Hα-helixtrans-69.6-40.7-173.4-179.80000111.4L70 F72 L191 A201 Y202 S207 G208 L209 A226L70-V205 HydrophobicContact CD1-CB 4.47Å; L70-V205 HydrophobicContact CD1-CG1 4.48Å; L70-V205 HydrophobicContact CD1-CG2 3.83Å; L70-V205 HydrophobicContact CD2-CG2 3.46Å; L70-V205 VanDerWaalsContact CD2-CG2 3.46Å; L70-V205 HydrophobicContact CG-CG2 4.28Å; F72-V205 HydrophobicContact CD1-CG1 4.08Å; F72-V205 HydrophobicContact CG-CG1 4.31Å; L191-V205 HydrophobicContact CD1-CB 4.24Å; L191-V205 HydrophobicContact CD1-CG1 3.47Å; L191-V205 VanDerWaalsContact CD1-CG1 3.47Å; L191-V205 HydrophobicContact CD2-CG1 4.1Å; L191-V205 HydrophobicContact CG-CG1 4.45Å; A201-V205 VanDerWaalsContact O-CG2 3.31Å; A201-V205 WeakPolarHBondContact O-CG2 3.39Å; A201-V205 PolarHBondContact O-N 2.91Å; A201-V205 VanDerWaalsContact O-N 3.09Å; Y202-V205 PolarHBondContact O-N 2.77Å; Y202-V205 VanDerWaalsContact O-N 3.17Å; V205-S207 PolarHBondContact O-N 2.96Å; V205-G208 PolarHBondContact O-N 3.15Å; V205-G208 VanDerWaalsContact O-N 3.15Å; V205-L209 HydrophobicContact CG1-CD1 3.39Å; V205-L209 HydrophobicContact CG1-CG 3.98Å; V205-L209 WeakPolarHBondContact O-CB 3.37Å; V205-L209 PolarHBondContact O-N 2.79Å; V205-A226 HydrophobicContact CG2-CB 3.39Å
206D92.4Very high87.2Confident82 Ų8267.5 Ų67.544%0.43935%0.353SS..Hα-helixtrans-62.7-29.7174.5-73.7-26.2000112.5L191 Y202L191-D206 WeakPolarHBondContact CD2-OD1 3.28Å; Y202-D206 VanDerWaalsContact O-CB 3.29Å; Y202-D206 WeakPolarHBondContact O-CB 3.48Å; Y202-D206 PolarHBondContact O-N 2.88Å
207S88.8Confident87.2Confident74 Ų7473.6 Ų73.652%0.51738%0.377SS..Hα-helixtrans-74.3-37.4175.478.10000112.3I204 V205I204-S207 PolarHBondContact O-N 2.69Å; I204-S207 PolarHBondContact O-OG 3.15Å; V205-S207 PolarHBondContact O-N 2.96Å
208G81.1Confident87.2Confident11 Ų1178 Ų7811%0.11340%0.398CS..Hα-helixtrans-81.7-37.5-178.900000114.4I204 V205 K210 Q211I204-G208 PolarHBondContact O-N 3.33Å; I204-G208 VanDerWaalsContact O-N 3.12Å; V205-G208 PolarHBondContact O-N 3.15Å; V205-G208 VanDerWaalsContact O-N 3.15Å; G208-K210 PolarHBondContact O-N 3.29Å; G208-K210 VanDerWaalsContact O-N 3.1Å; G208-Q211 PolarHBondContact O-N 3.16Å
209L77.4Confident87.1Confident52 Ų5277 Ų7727%0.27239%0.391SS..THydrogen-bonded Turntrans-66.1-10.7-179.4-86.6168.1000114.4F72 L191 V205 Q211 L214 L222F72-L209 HydrophobicContact CB-CD1 4.36Å; F72-L209 HydrophobicContact CD2-CD2 4Å; F72-L209 HydrophobicContact CE2-CD2 4.42Å; L191-L209 HydrophobicContact CB-CD1 4.5Å; L191-L209 HydrophobicContact CD1-CD1 4.36Å; L191-L209 HydrophobicContact CD2-CD1 4.08Å; V205-L209 HydrophobicContact CG1-CD1 3.39Å; V205-L209 HydrophobicContact CG1-CG 3.98Å; V205-L209 WeakPolarHBondContact O-CB 3.37Å; V205-L209 PolarHBondContact O-N 2.79Å; L209-Q211 PolarHBondContact O-N 3.48Å; L209-L214 HydrophobicContact CD2-CD1 4.06Å; L209-L222 HydrophobicContact CG-CD2 4.42Å
210K69.6Low87.1Confident174 Ų17470.7 Ų70.776%0.75736%0.36SS*.THydrogen-bonded Turntrans-61.8-21.8173.2-70.5179.4-176.2178.90112.5G208 K212G208-K210 PolarHBondContact O-N 3.29Å; G208-K210 VanDerWaalsContact O-N 3.1Å; K210-K212 PolarHBondContact O-N 3.33Å
211Q63Low87.1Confident122 Ų12267.5 Ų67.557%0.5735%0.35SS*.SBendtrans-75.1113.4173.3-65.8169.4-7.800108.6G208 L209 D213 L214G208-Q211 PolarHBondContact O-N 3.16Å; L209-Q211 PolarHBondContact O-N 3.48Å; Q211-D213 PolarHBondContact O-N 2.85Å; Q211-L214 HydrophobicContact CB-CG 4.48Å
212K59.7Low87Confident187 Ų18768.3 Ų68.381%0.81336%0.355SS*.SBendtrans-68.4-21-170.9-76.4-174.6175.2-179.10114Q75 K210Q75-K212 PolarHBondContact NE2-O 2.71Å; K210-K212 PolarHBondContact O-N 3.33Å
213D80.4Confident87Confident121 Ų12164.9 Ų64.965%0.64734%0.341SS*.  trans-129.482.2-174.3-51.9-54.9000110.4Q75 Q211Q75-D213 PolarHBondContact NE2-OD1 3.24Å; Q211-D213 PolarHBondContact O-N 2.85Å
214L86.8Confident87.1Confident9 Ų964.8 Ų64.85%0.04733%0.326CS..  trans-87.1126.5175.8-77.2154.8000110.2L209 Q211 E218 A219 L222L209-L214 HydrophobicContact CD2-CD1 4.06Å; Q211-L214 HydrophobicContact CB-CG 4.48Å; L214-E218 HydrophobicContact CD2-CB 3.89Å; L214-A219 HydrophobicContact CB-CB 4.42Å; L214-L222 HydrophobicContact CD1-CD2 4.36Å
215T93.3Very high87.2Confident67 Ų6767.4 Ų67.441%0.41133%0.333SS..  trans-66.3161.8166.863.90000110.6E217 E218 A219T215-E217 VanDerWaalsContact C-N 3.26Å; T215-E217 PolarHBondContact O-N 3.14Å; T215-E218 WeakPolarHBondContact CB-OE2 3.23Å; T215-E218 WeakPolarHBondContact CG2-OE2 3.21Å; T215-E218 PolarHBondContact N-OE2 3.24Å; T215-E218 PolarHBondContact O-N 2.87Å; T215-E218 WeakPolarHBondContact OG1-CB 3.29Å; T215-E218 WeakPolarHBondContact OG1-CG 3.39Å; T215-E218 PolarHBondContact OG1-N 2.59Å; T215-E218 PolarHBondContact OG1-OE2 2.91Å; T215-A219 WeakPolarHBondContact O-CB 3.44Å; T215-A219 PolarHBondContact O-N 3.32Å
216V92.9Very high87.3Confident53 Ų5367.4 Ų67.432%0.32133%0.333SS..Hα-helixtrans-59.2-40.1178.2179.80000111.2F74 H76 A219 C220F74-V216 HydrophobicContact CE2-CG2 4.22Å; F74-V216 HydrophobicContact CZ-CG2 4.33Å; H76-V216 HydrophobicContact CB-CG2 3.74Å; V216-A219 PolarHBondContact O-N 3.27Å; V216-C220 WeakPolarHBondContact O-CB 3.31Å; V216-C220 PolarHBondContact O-N 3.4Å; V216-C220 PolarHBondContact O-SG 2.8Å
217E93.6Very high87.6Confident163 Ų16363.5 Ų63.576%0.76231%0.312SS*.Hα-helixtrans-67.8-44.7-179.7-65.4-178.4-179.900112T215 C220 D221T215-E217 VanDerWaalsContact C-N 3.26Å; T215-E217 PolarHBondContact O-N 3.14Å; E217-C220 WeakPolarHBondContact O-CB 3.48Å; E217-C220 PolarHBondContact O-N 3.1Å; E217-D221 PolarHBondContact O-N 3.28Å
218E93.2Very high87.9Confident94 Ų9460.6 Ų60.644%0.43929%0.29SS..Hα-helixtrans-64.2-40.2176-71165.1151.200111.8L214 T215 D221 L222L214-E218 HydrophobicContact CD2-CB 3.89Å; T215-E218 WeakPolarHBondContact CB-OE2 3.23Å; T215-E218 WeakPolarHBondContact CG2-OE2 3.21Å; T215-E218 PolarHBondContact N-OE2 3.24Å; T215-E218 PolarHBondContact O-N 2.87Å; T215-E218 WeakPolarHBondContact OG1-CB 3.29Å; T215-E218 WeakPolarHBondContact OG1-CG 3.39Å; T215-E218 PolarHBondContact OG1-N 2.59Å; T215-E218 PolarHBondContact OG1-OE2 2.91Å; E218-D221 PolarHBondContact O-N 2.84Å; E218-L222 WeakPolarHBondContact O-CB 3.36Å; E218-L222 PolarHBondContact O-N 3.32Å
219A93.9Very high88.7Confident0 Ų062.7 Ų62.70%030%0.297CS..Hα-helixtrans-63.9-42.1174.900000111.4F72 F74 I79 L214 T215 V216 D221 L222 G223F72-A219 HydrophobicContact CE2-CB 4.2Å; F72-A219 HydrophobicContact CZ-CB 4.28Å; F72-A219 WeakPolarHBondContact CZ-O 3.29Å; F74-A219 HydrophobicContact CD1-CB 4.46Å; F74-A219 HydrophobicContact CD2-CB 3.9Å; F74-A219 HydrophobicContact CE1-CB 4.41Å; F74-A219 HydrophobicContact CE2-CB 3.78Å; F74-A219 HydrophobicContact CG-CB 4.24Å; F74-A219 HydrophobicContact CZ-CB 4.07Å; I79-A219 HydrophobicContact CD1-CB 4.49Å; I79-A219 HydrophobicContact CG1-CB 3.9Å; L214-A219 HydrophobicContact CB-CB 4.42Å; T215-A219 WeakPolarHBondContact O-CB 3.44Å; T215-A219 PolarHBondContact O-N 3.32Å; V216-A219 PolarHBondContact O-N 3.27Å; A219-D221 VanDerWaalsContact C-N 3.34Å; A219-D221 PolarHBondContact O-N 2.99Å; A219-L222 PolarHBondContact O-N 3.01Å; A219-G223 PolarHBondContact O-N 3.45Å
220C94.9Very high89.6Confident7 Ų760.2 Ų60.25%0.04728%0.284CS..Hα-helixtrans-62.4-41.9174.3-69.30000111.5V216 E217 G223 R224 L243V216-C220 WeakPolarHBondContact O-CB 3.31Å; V216-C220 PolarHBondContact O-N 3.4Å; V216-C220 PolarHBondContact O-SG 2.8Å; E217-C220 WeakPolarHBondContact O-CB 3.48Å; E217-C220 PolarHBondContact O-N 3.1Å; C220-G223 PolarHBondContact O-N 3.06Å; C220-R224 WeakPolarHBondContact O-CB 3.25Å; C220-R224 PolarHBondContact O-N 3.47Å; C220-L243 HydrophobicContact CB-CD1 4.45Å; C220-L243 HydrophobicContact CB-CD2 3.83Å; C220-L243 WeakPolarHBondContact O-CD1 3.42Å; C220-L243 VanDerWaalsContact SG-CD2 3.54Å
221D94.4Very high90.9Very high36 Ų3652.8 Ų52.819%0.19325%0.253CS..Hα-helixtrans-67.9-39.2177.6-164.260.3000112.6E217 E218 A219 G223 R224 R225E217-D221 PolarHBondContact O-N 3.28Å; E218-D221 PolarHBondContact O-N 2.84Å; A219-D221 VanDerWaalsContact C-N 3.34Å; A219-D221 PolarHBondContact O-N 2.99Å; D221-G223 PolarHBondContact O-N 2.73Å; D221-R224 PolarHBondContact O-N 3.32Å; D221-R224 IonicContact OD1-NH1 3.3Å; D221-R224 PolarHBondContact OD1-NH1 3.47Å; D221-R225 VanDerWaalsContact O-CB 3.25Å; D221-R225 WeakPolarHBondContact O-CB 3.11Å; D221-R225 PolarHBondContact O-N 3.35Å; D221-R225 IonicContact OD2-CZ 2.91Å; D221-R225 VanDerWaalsContact OD2-CZ 3.3Å; D221-R225 IonicContact OD2-NE 2.75Å; D221-R225 IonicContact OD2-NH2 2.59Å; D221-R225 PolarHBondContact OD2-NH2 3.46Å
222L94.6Very high92.4Very high18 Ų1853.5 Ų53.59%0.09425%0.251CS..Hα-helixtrans-58.6-48.1174.2-178.561.6000111.4F72 I204 L209 L214 E218 A219 R225 A226F72-L222 HydrophobicContact CZ-CD2 4.33Å; I204-L222 HydrophobicContact CG2-CD1 4.23Å; L209-L222 HydrophobicContact CG-CD2 4.42Å; L214-L222 HydrophobicContact CD1-CD2 4.36Å; E218-L222 WeakPolarHBondContact O-CB 3.36Å; E218-L222 PolarHBondContact O-N 3.32Å; A219-L222 PolarHBondContact O-N 3.01Å; L222-R225 PolarHBondContact O-N 2.83Å; L222-A226 VanDerWaalsContact O-CB 3.31Å; L222-A226 WeakPolarHBondContact O-CB 3.2Å; L222-A226 PolarHBondContact O-N 2.68Å
223G95.7Very high94.2Very high0 Ų052.8 Ų52.80%024%0.244CC..Hα-helixtrans-61.8-43.1176.400000112.5A219 C220 D221 A226 I227A219-G223 PolarHBondContact O-N 3.45Å; C220-G223 PolarHBondContact O-N 3.06Å; D221-G223 PolarHBondContact O-N 2.73Å; G223-A226 PolarHBondContact O-N 3.01Å; G223-I227 PolarHBondContact O-N 3.08Å; G223-I227 VanDerWaalsContact O-N 3.16Å
224R96.1Very high94.9Very high46 Ų4647.8 Ų47.817%0.17422%0.217CC..Hα-helixtrans-61.9-46.7176.9-176.3-171.8-63120.41.6111.9C220 D221 Y228 L243 L262C220-R224 WeakPolarHBondContact O-CB 3.25Å; C220-R224 PolarHBondContact O-N 3.47Å; D221-R224 PolarHBondContact O-N 3.32Å; D221-R224 IonicContact OD1-NH1 3.3Å; D221-R224 PolarHBondContact OD1-NH1 3.47Å; R224-Y228 WeakPolarHBondContact O-CB 3.38Å; R224-Y228 PolarHBondContact O-N 3.01Å; R224-L243 HydrophobicContact CB-CD1 4.19Å; R224-L262 HydrophobicContact CG-CD1 3.69Å; R224-L262 HydrophobicContact CG-CD2 4.18Å
225R95.4Very high95.3Very high99 Ų9950.9 Ų50.937%0.37424%0.244SC..Hα-helixtrans-66.1-38.6179.8-167.6176.8-62.4172.9-2.8111.7D221 L222 Y228 Q229D221-R225 VanDerWaalsContact O-CB 3.25Å; D221-R225 WeakPolarHBondContact O-CB 3.11Å; D221-R225 PolarHBondContact O-N 3.35Å; D221-R225 IonicContact OD2-CZ 2.91Å; D221-R225 VanDerWaalsContact OD2-CZ 3.3Å; D221-R225 IonicContact OD2-NE 2.75Å; D221-R225 IonicContact OD2-NH2 2.59Å; D221-R225 PolarHBondContact OD2-NH2 3.46Å; L222-R225 PolarHBondContact O-N 2.83Å; R225-Y228 PolarHBondContact O-N 3.34Å; R225-Q229 WeakPolarHBondContact O-CG 3.41Å; R225-Q229 PolarHBondContact O-N 3.28Å
226A96.6Very high95.3Very high0 Ų051.8 Ų51.80%024%0.24CC..Hα-helixtrans-61.3-49.2176.500000112.2L70 I204 V205 L222 G223 Q229 A230L70-A226 HydrophobicContact CD2-CB 3.78Å; I204-A226 HydrophobicContact CB-CB 4.1Å; I204-A226 HydrophobicContact CG2-CB 4.05Å; V205-A226 HydrophobicContact CG2-CB 3.39Å; L222-A226 VanDerWaalsContact O-CB 3.31Å; L222-A226 WeakPolarHBondContact O-CB 3.2Å; L222-A226 PolarHBondContact O-N 2.68Å; G223-A226 PolarHBondContact O-N 3.01Å; A226-Q229 PolarHBondContact O-N 3.33Å; A226-A230 PolarHBondContact O-N 2.92Å
227I97.4Very high95.4Very high0 Ų049.2 Ų49.20%023%0.225CC..Hα-helixtrans-64-43.4175.5-62.4-59.9000110.7T68 L70 A81 D83 G223 Q229 A230 T231 V241T68-I227 HydrophobicContact CG2-CD1 3.62Å; L70-I227 HydrophobicContact CB-CD1 3.99Å; A81-I227 HydrophobicContact CB-CD1 4.42Å; A81-I227 HydrophobicContact CB-CG1 3.68Å; D83-I227 HydrophobicContact CB-CG2 4.1Å; G223-I227 PolarHBondContact O-N 3.08Å; G223-I227 VanDerWaalsContact O-N 3.16Å; I227-Q229 PolarHBondContact O-N 3.46Å; I227-A230 WeakPolarHBondContact O-CB 3.16Å; I227-A230 PolarHBondContact O-N 3.21Å; I227-A230 VanDerWaalsContact O-N 3.16Å; I227-T231 HydrophobicContact CG2-CG2 4.02Å; I227-T231 WeakPolarHBondContact O-CG2 3.17Å; I227-T231 PolarHBondContact O-N 3.3Å; I227-T231 PolarHBondContact O-OG1 3.37Å; I227-V241 HydrophobicContact CB-CG1 3.96Å; I227-V241 HydrophobicContact CB-CG2 4.29Å; I227-V241 HydrophobicContact CG1-CG1 4.36Å; I227-V241 HydrophobicContact CG2-CB 4.39Å; I227-V241 HydrophobicContact CG2-CG1 4Å; I227-V241 HydrophobicContact CG2-CG2 3.76Å
228Y96.9Very high95.5Very high14 Ų1441.6 Ų41.66%0.05519%0.189CC..Hα-helixtrans-54.3-49.6176.5165.5-102.3000112.3R224 R225 A230 T231 Y232 V259 L262 H263 Y266R224-Y228 WeakPolarHBondContact O-CB 3.38Å; R224-Y228 PolarHBondContact O-N 3.01Å; R225-Y228 PolarHBondContact O-N 3.34Å; Y228-A230 VanDerWaalsContact C-N 3.33Å; Y228-A230 PolarHBondContact O-N 2.91Å; Y228-T231 WeakPolarHBondContact CA-OG1 3.34Å; Y228-T231 PolarHBondContact O-N 3.43Å; Y228-T231 PolarHBondContact O-OG1 2.71Å; Y228-Y232 PolarHBondContact O-N 3.06Å; Y228-V259 HydrophobicContact CD2-CG1 4.12Å; Y228-V259 HydrophobicContact CE2-CG1 4.48Å; Y228-L262 HydrophobicContact CD2-CB 4.14Å; Y228-H263 HydrophobicContact CE2-CB 3.87Å; Y228-H263 AromaticContact CZ-ND1 3.84Å; Y228-H263 PolarHBondContact OH-ND1 3.35Å; Y228-Y266 AromaticContact CD1-CD2 3.48Å; Y228-Y266 HydrophobicContact CD1-CD2 3.48Å; Y228-Y266 VanDerWaalsContact CD1-CD2 3.48Å; Y228-Y266 AromaticContact CD1-CE2 3.62Å; Y228-Y266 HydrophobicContact CD1-CE2 3.62Å; Y228-Y266 HydrophobicContact CD2-CD2 4.2Å; Y228-Y266 HydrophobicContact CD2-CE2 4.31Å; Y228-Y266 AromaticContact CE1-CD2 3.52Å; Y228-Y266 HydrophobicContact CE1-CD2 3.52Å; Y228-Y266 HydrophobicContact CE1-CE2 4.16Å; Y228-Y266 HydrophobicContact CE1-CG 4.37Å; Y228-Y266 HydrophobicContact CE2-CD2 4.25Å; Y228-Y266 AromaticContact CG-CD2 3.84Å; Y228-Y266 HydrophobicContact CG-CD2 3.84Å; Y228-Y266 AromaticContact CG-CE2 3.71Å; Y228-Y266 HydrophobicContact CG-CE2 3.71Å; Y228-Y266 AromaticContact CZ-CD2 3.92Å
229Q96.3Very high95.6Very high55 Ų5537.4 Ų37.426%0.25717%0.171SC..Hα-helixtrans-64.8-37178.7-66.7-63.2-17.600112.5I204 R225 A226 I227 Y232 R233I204-Q229 HydrophobicContact CD1-CB 4.24Å; I204-Q229 HydrophobicContact CD1-CG 3.9Å; I204-Q229 HydrophobicContact CG1-CB 3.87Å; I204-Q229 HydrophobicContact CG1-CG 3.93Å; R225-Q229 WeakPolarHBondContact O-CG 3.41Å; R225-Q229 PolarHBondContact O-N 3.28Å; A226-Q229 PolarHBondContact O-N 3.33Å; I227-Q229 PolarHBondContact O-N 3.46Å; Q229-Y232 PolarHBondContact O-N 3.5Å; Q229-R233 PolarHBondContact O-N 3.2Å
230A96.9Very high95.8Very high0 Ų039.4 Ų39.40%018%0.181CC..Hα-helixtrans-62.7-47.6173.600000111.5T68 A201 A226 I227 Y228 Y232 R233 D234T68-A230 HydrophobicContact CG2-CB 3.74Å; A201-A230 HydrophobicContact CB-CB 4.46Å; A226-A230 PolarHBondContact O-N 2.92Å; I227-A230 WeakPolarHBondContact O-CB 3.16Å; I227-A230 PolarHBondContact O-N 3.21Å; I227-A230 VanDerWaalsContact O-N 3.16Å; Y228-A230 VanDerWaalsContact C-N 3.33Å; Y228-A230 PolarHBondContact O-N 2.91Å; A230-Y232 PolarHBondContact O-N 3Å; A230-R233 PolarHBondContact O-N 3.41Å; A230-R233 VanDerWaalsContact O-N 3.14Å; A230-D234 WeakPolarHBondContact O-CB 3.28Å; A230-D234 PolarHBondContact O-N 3.2Å
231T96.5Very high95.9Very high17 Ų1739.1 Ų39.110%0.10418%0.179CC..Hα-helixtrans-65.3-24.7177.161.30000113.8D83 I227 Y228 V259D83-T231 HydrophobicContact CB-CG2 4.03Å; I227-T231 HydrophobicContact CG2-CG2 4.02Å; I227-T231 WeakPolarHBondContact O-CG2 3.17Å; I227-T231 PolarHBondContact O-N 3.3Å; I227-T231 PolarHBondContact O-OG1 3.37Å; Y228-T231 WeakPolarHBondContact CA-OG1 3.34Å; Y228-T231 PolarHBondContact O-N 3.43Å; Y228-T231 PolarHBondContact O-OG1 2.71Å; T231-V259 HydrophobicContact CG2-CG2 4.3Å; T231-V259 WeakPolarHBondContact OG1-CG1 3.42Å
232Y95.8Very high96Very high138 Ų13837.6 Ų37.654%0.54117%0.171SC..Hα-helixtrans-73.3-29.6175.7-174.9-100.9000112.5Y228 Q229 A230Y228-Y232 PolarHBondContact O-N 3.06Å; Q229-Y232 PolarHBondContact O-N 3.5Å; A230-Y232 PolarHBondContact O-N 3Å
233R95.9Very high96.1Very high172 Ų17236.8 Ų36.865%0.64917%0.166SC*.Hα-helixtrans-102.2-39.3-176.9-69.3-63.2-170.5169.3-0.3113.8Y200 Q229 A230Y200-R233 HydrophobicContact CD1-CB 3.9Å; Y200-R233 HydrophobicContact CD1-CG 4.23Å; Y200-R233 HydrophobicContact CD2-CB 3.95Å; Y200-R233 HydrophobicContact CE1-CB 3.77Å; Y200-R233 HydrophobicContact CE1-CG 4.25Å; Y200-R233 HydrophobicContact CE2-CB 3.84Å; Y200-R233 HydrophobicContact CG-CB 3.99Å; Q229-R233 PolarHBondContact O-N 3.2Å; A230-R233 PolarHBondContact O-N 3.41Å; A230-R233 VanDerWaalsContact O-N 3.14Å
234D96.1Very high96.2Very high16 Ų1636.9 Ų36.99%0.08617%0.167CC..  trans-86.4119.7-179.6178.825.7000111.1S196 G197 Y200 A230 Y236 S237S196-D234 WeakPolarHBondContact CB-OD2 3.45Å; S196-D234 PolarHBondContact OG-OD2 2.8Å; G197-D234 PolarHBondContact N-OD2 3.24Å; G197-D234 VanDerWaalsContact N-OD2 3.16Å; Y200-D234 HydrophobicContact CD2-CB 4.07Å; Y200-D234 HydrophobicContact CE2-CB 3.94Å; A230-D234 WeakPolarHBondContact O-CB 3.28Å; A230-D234 PolarHBondContact O-N 3.2Å; D234-Y236 PolarHBondContact O-N 2.97Å; D234-Y236 PolarHBondContact OD1-N 3.37Å; D234-S237 PolarHBondContact O-N 2.88Å; D234-S237 WeakPolarHBondContact OD2-CB 3.24Å; D234-S237 PolarHBondContact OD2-N 2.78Å; D234-S237 PolarHBondContact OD2-OG 3.02Å
235A94.1Very high96.3Very high74 Ų7435.7 Ų35.761%0.61216%0.163SC*.THydrogen-bonded Turntrans-63-31.7-177.900000112.9R85R85-A235 PolarHBondContact NH1-O 3.32Å
236Y94.1Very high96.4Very high85 Ų8531 Ų3133%0.33315%0.145SC..THydrogen-bonded Turntrans-89.5-7.7-174.4-57.4-76000114R85 T87 G89 D234R85-Y236 WeakPolarHBondContact CD-O 3.04Å; T87-Y236 HydrophobicContact CG2-CD1 4.07Å; G89-Y236 WeakPolarHBondContact O-CE1 3.35Å; D234-Y236 PolarHBondContact O-N 2.97Å; D234-Y236 PolarHBondContact OD1-N 3.37Å
237S95.6Very high96.4Very high0 Ų032.8 Ų32.80%015%0.154CC..  trans-100.9142.4175.4-640000110.9T68 D83 R85 D234T68-S237 PolarHBondContact N-OG 2.94Å; T68-S237 WeakPolarHBondContact OG1-CB 3.22Å; T68-S237 PolarHBondContact OG1-OG 3.38Å; D83-S237 WeakPolarHBondContact OD2-CA 3.44Å; R85-S237 PolarHBondContact NH1-O 3.3Å; D234-S237 PolarHBondContact O-N 2.88Å; D234-S237 WeakPolarHBondContact OD2-CB 3.24Å; D234-S237 PolarHBondContact OD2-N 2.78Å; D234-S237 PolarHBondContact OD2-OG 3.02Å
238G95.6Very high96.2Very high2 Ų236.4 Ų36.42%0.02118%0.179CC..  trans163.7-157.5176.800000115.4D83 S84 R85 Q240D83-G238 PolarHBondContact OD2-N 3.01Å; S84-G238 PolarHBondContact N-O 2.92Å; S84-G238 VanDerWaalsContact N-O 3.08Å; R85-G238 WeakPolarHBondContact CB-O 2.8Å; R85-G238 PolarHBondContact N-O 3.26Å; G238-Q240 PolarHBondContact O-N 3.08Å
239G95.5Very high96Very high6 Ų643.5 Ų43.56%0.06221%0.213CC..SBendtrans82-106.2-176.600000110.9V259G239-V259 WeakPolarHBondContact O-CB 3.18Å; G239-V259 VanDerWaalsContact O-CG2 3.22Å; G239-V259 WeakPolarHBondContact O-CG2 3.34Å; G239-V259 PolarHBondContact O-N 3.09Å; G239-V259 VanDerWaalsContact O-N 3.09Å
240Q96.4Very high95.9Very high42 Ų4241.1 Ų41.120%0.19620%0.203CC..EExtended strand (participates in β ladder)trans-125.4146.4-174.3-59.7174.7-1500110.2D83 S84 G238 Q256 S257D83-Q240 CarbonylContact C-O 3.46Å; D83-Q240 WeakPolarHBondContact CA-O 3.39Å; S84-Q240 PolarHBondContact N-O 2.59Å; S84-Q240 WeakPolarHBondContact OG-CA 3.34Å; S84-Q240 WeakPolarHBondContact OG-CB 3.49Å; S84-Q240 PolarHBondContact OG-N 3.5Å; S84-Q240 PolarHBondContact OG-O 3.39Å; G238-Q240 PolarHBondContact O-N 3.08Å; Q240-Q256 HydrophobicContact CB-CG 4.44Å; Q240-S257 CarbonylContact C-O 3.48Å; Q240-S257 WeakPolarHBondContact CA-O 3.11Å
241V97.4Very high95.9Very high1 Ų143.6 Ų43.61%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-93.4114.1173.7-173.60000108.2V82 I227 Q256 S257 V259 L262V82-V241 WeakPolarHBondContact O-CA 3.22Å; I227-V241 HydrophobicContact CB-CG1 3.96Å; I227-V241 HydrophobicContact CB-CG2 4.29Å; I227-V241 HydrophobicContact CG1-CG1 4.36Å; I227-V241 HydrophobicContact CG2-CB 4.39Å; I227-V241 HydrophobicContact CG2-CG1 4Å; I227-V241 HydrophobicContact CG2-CG2 3.76Å; V241-Q256 WeakPolarHBondContact O-CA 3.37Å; V241-S257 PolarHBondContact N-O 3.48Å; V241-S257 PolarHBondContact O-N 2.99Å; V241-V259 HydrophobicContact CG2-CG2 3.83Å; V241-L262 HydrophobicContact CB-CD1 4.32Å; V241-L262 HydrophobicContact CG2-CD1 3.81Å
242N97.4Very high95.9Very high4 Ų445.8 Ų45.82%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-97.6126.5171.8-68.9-72.4000109.1A81 V82 Y244 R253 Q256A81-N242 WeakPolarHBondContact CA-O 3.28Å; V82-N242 HydrophobicContact CG2-CB 3.88Å; V82-N242 PolarHBondContact N-O 3.43Å; V82-N242 PolarHBondContact O-N 2.95Å; N242-Y244 HydrophobicContact CB-CE2 4.13Å; N242-R253 PolarHBondContact OD1-NH2 3.3Å; N242-Q256 WeakPolarHBondContact OD1-CG 3.36Å
243L97.1Very high96Very high1 Ų143.9 Ų43.91%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-123131.1-177.6-159.7138.4000111I79 V80 A81 C220 R224 V254 S255I79-L243 HydrophobicContact CG2-CD1 4.3Å; I79-L243 HydrophobicContact CG2-CD2 4.21Å; I79-L243 HydrophobicContact CG2-CG 4.2Å; V80-L243 WeakPolarHBondContact O-CA 3.5Å; A81-L243 HydrophobicContact CB-CD1 4.23Å; A81-L243 HydrophobicContact CB-CG 4.49Å; C220-L243 HydrophobicContact CB-CD1 4.45Å; C220-L243 HydrophobicContact CB-CD2 3.83Å; C220-L243 WeakPolarHBondContact O-CD1 3.42Å; C220-L243 VanDerWaalsContact SG-CD2 3.54Å; R224-L243 HydrophobicContact CB-CD1 4.19Å; L243-V254 HydrophobicContact CB-CB 4.5Å; L243-V254 HydrophobicContact CD2-CB 3.61Å; L243-V254 HydrophobicContact CD2-CG1 3.95Å; L243-V254 HydrophobicContact CD2-CG2 3.7Å; L243-V254 PolarHBondContact O-N 3.45Å; L243-S255 PolarHBondContact N-O 3.33Å; L243-S255 PolarHBondContact O-N 2.89Å
244Y98.1Very high95.9Very high3 Ų338.7 Ų38.71%0.01221%0.205CC..EExtended strand (participates in β ladder)trans-125.7145178.7-67.5-102.1000109.6V80 V100 L108 N242 W251 T252 R253V80-Y244 PolarHBondContact N-O 3.05Å; V80-Y244 PolarHBondContact O-N 3.03Å; V100-Y244 HydrophobicContact CB-CD2 4.03Å; V100-Y244 HydrophobicContact CB-CE2 3.63Å; V100-Y244 HydrophobicContact CG1-CD2 3.99Å; V100-Y244 HydrophobicContact CG1-CE1 4.44Å; V100-Y244 HydrophobicContact CG1-CE2 3.87Å; V100-Y244 HydrophobicContact CG1-CG 4.33Å; V100-Y244 HydrophobicContact CG2-CD2 3.75Å; V100-Y244 HydrophobicContact CG2-CE2 3.72Å; L108-Y244 HydrophobicContact CD1-CD1 4.05Å; L108-Y244 HydrophobicContact CD1-CG 4.01Å; N242-Y244 HydrophobicContact CB-CE2 4.13Å; Y244-W251 AromaticContact CD1-CE3 3.73Å; Y244-W251 HydrophobicContact CD1-CE3 3.73Å; Y244-W251 HydrophobicContact CD1-CZ3 4.02Å; Y244-W251 AromaticContact CE1-CE3 3.98Å; Y244-W251 HydrophobicContact CE1-CE3 3.98Å; Y244-W251 AromaticContact CE1-CZ3 3.78Å; Y244-W251 HydrophobicContact CE1-CZ3 3.78Å; Y244-T252 WeakPolarHBondContact CA-O 3.46Å; Y244-R253 HydrophobicContact CD1-CB 4Å; Y244-R253 HydrophobicContact CD1-CG 4.24Å; Y244-R253 HydrophobicContact CE1-CB 3.73Å; Y244-R253 HydrophobicContact CE1-CG 3.77Å; Y244-R253 HydrophobicContact CE2-CG 4.46Å
245H97.8Very high95.8Very high20 Ų2039.1 Ų39.19%0.09321%0.21CC..EExtended strand (participates in β ladder)trans-118.6122.5173.8173.9-143.2000108.9F74 H76 I79 W251 T252 V254F74-H245 AromaticContact CZ-NE2 3.77Å; H76-H245 PolarHBondContact O-NE2 3.12Å; I79-H245 HydrophobicContact CD1-CB 4Å; H245-W251 CarbonylContact O-C 3.42Å; H245-W251 VanDerWaalsContact O-CA 3.29Å; H245-W251 WeakPolarHBondContact O-CA 3.47Å; H245-T252 PolarHBondContact N-O 3.2Å; H245-T252 PolarHBondContact O-N 3.14Å; H245-V254 HydrophobicContact CB-CG2 3.62Å
246V97.4Very high95.9Very high0 Ų040.2 Ų40.20%020%0.202CC..EExtended strand (participates in β ladder)trans-97.4121.6174.5-175.50000108.3G77 V78 V80 L108 C168 W170 W251G77-V246 WeakPolarHBondContact CA-O 3.16Å; V78-V246 HydrophobicContact CB-CB 4.01Å; V78-V246 HydrophobicContact CB-CG2 4.3Å; V78-V246 HydrophobicContact CG2-CB 4.42Å; V78-V246 PolarHBondContact N-O 3.29Å; V78-V246 PolarHBondContact O-N 3.06Å; V80-V246 HydrophobicContact CG2-CG2 4.46Å; L108-V246 HydrophobicContact CD1-CG2 3.81Å; L108-V246 HydrophobicContact CG-CG2 4.43Å; C168-V246 HydrophobicContact CB-CG2 4.47Å; W170-V246 HydrophobicContact CB-CG1 4.32Å; V246-W251 HydrophobicContact CG2-CB 4.19Å
247H95.4Very high95.9Very high39 Ų3937.5 Ų37.518%0.18120%0.196CC..EExtended strand (participates in β ladder)trans-126.5-177.8178.554.791.9000110.5W170 E249 G250 T252W170-H247 VanDerWaalsContact CB-O 3.29Å; W170-H247 WeakPolarHBondContact CB-O 3.47Å; H247-E249 VanDerWaalsContact C-N 3.27Å; H247-E249 PolarHBondContact ND1-N 2.81Å; H247-E249 PolarHBondContact O-N 3.32Å; H247-G250 CarbonylContact C-O 3.57Å; H247-G250 PolarHBondContact N-O 2.71Å; H247-G250 PolarHBondContact O-N 3Å; H247-T252 WeakPolarHBondContact NE2-CG2 3.44Å
248S93.6Very high96Very high76 Ų7640.5 Ų40.553%0.53121%0.212SC..THydrogen-bonded Turntrans-61.1-30.1-173.653.10000114.9
249E92.8Very high96Very high162 Ų16241.6 Ų41.676%0.75722%0.218SC*.THydrogen-bonded Turntrans-87.5-19.4-177.5-57.8-176.616400113.1H247H247-E249 VanDerWaalsContact C-N 3.27Å; H247-E249 PolarHBondContact ND1-N 2.81Å; H247-E249 PolarHBondContact O-N 3.32Å
250G94.5Very high95.9Very high5 Ų546.3 Ų46.35%0.05224%0.241CC..EExtended strand (participates in β ladder)trans156-145.7-174.300000111.9P105 H247P105-G250 WeakPolarHBondContact O-CA 3.47Å; H247-G250 CarbonylContact C-O 3.57Å; H247-G250 PolarHBondContact N-O 2.71Å; H247-G250 PolarHBondContact O-N 3Å
251W97.3Very high95.8Very high52 Ų5249.9 Ų49.920%0.19726%0.259CS..EExtended strand (participates in β ladder)trans-124.6150.2172.558.9-99.7000111.3E102 N104 P105 L108 Y244 H245 V246E102-W251 HydrophobicContact CB-CH2 4.3Å; E102-W251 HydrophobicContact CB-CZ2 3.75Å; E102-W251 HydrophobicContact CG-CH2 3.56Å; E102-W251 HydrophobicContact CG-CZ2 3.48Å; E102-W251 VanDerWaalsContact CG-CZ2 3.48Å; E102-W251 HydrophobicContact CG-CZ3 4.38Å; E102-W251 WeakPolarHBondContact OE2-CH2 3.28Å; N104-W251 PolarHBondContact O-NE1 2.84Å; P105-W251 VanDerWaalsContact C-CD1 3.43Å; P105-W251 VanDerWaalsContact O-CD1 3.23Å; P105-W251 PolarHBondContact O-N 2.87Å; L108-W251 HydrophobicContact CD1-CB 3.88Å; L108-W251 HydrophobicContact CD1-CD2 4.46Å; L108-W251 HydrophobicContact CD1-CG 3.99Å; L108-W251 HydrophobicContact CD2-CD2 3.72Å; L108-W251 HydrophobicContact CD2-CE3 4.39Å; L108-W251 HydrophobicContact CD2-CG 3.72Å; L108-W251 HydrophobicContact CD2-CZ2 4.43Å; L108-W251 HydrophobicContact CG-CB 4.12Å; L108-W251 HydrophobicContact CG-CD2 4.31Å; L108-W251 HydrophobicContact CG-CG 3.81Å; Y244-W251 AromaticContact CD1-CE3 3.73Å; Y244-W251 HydrophobicContact CD1-CE3 3.73Å; Y244-W251 HydrophobicContact CD1-CZ3 4.02Å; Y244-W251 AromaticContact CE1-CE3 3.98Å; Y244-W251 HydrophobicContact CE1-CE3 3.98Å; Y244-W251 AromaticContact CE1-CZ3 3.78Å; Y244-W251 HydrophobicContact CE1-CZ3 3.78Å; H245-W251 CarbonylContact O-C 3.42Å; H245-W251 VanDerWaalsContact O-CA 3.29Å; H245-W251 WeakPolarHBondContact O-CA 3.47Å; V246-W251 HydrophobicContact CG2-CB 4.19Å
252T97.2Very high95.7Very high64 Ų6450 Ų5039%0.39326%0.26SS..EExtended strand (participates in β ladder)trans-123.4140.7172.547.70000109.9Y244 H245 H247 V254Y244-T252 WeakPolarHBondContact CA-O 3.46Å; H245-T252 PolarHBondContact N-O 3.2Å; H245-T252 PolarHBondContact O-N 3.14Å; H247-T252 WeakPolarHBondContact NE2-CG2 3.44Å; T252-V254 PolarHBondContact O-N 3.5Å
253R96.4Very high95.5Very high97 Ų9752.2 Ų52.237%0.36627%0.27SS..EExtended strand (participates in β ladder)trans-82.6111.7171.3-172.5178.7-173.6-155.43.7108N242 Y244N242-R253 PolarHBondContact OD1-NH2 3.3Å; Y244-R253 HydrophobicContact CD1-CB 4Å; Y244-R253 HydrophobicContact CD1-CG 4.24Å; Y244-R253 HydrophobicContact CE1-CB 3.73Å; Y244-R253 HydrophobicContact CE1-CG 3.77Å; Y244-R253 HydrophobicContact CE2-CG 4.46Å
254V95.2Very high95.4Very high64 Ų6457.1 Ų57.139%0.38829%0.293SS..EExtended strand (participates in β ladder)trans-78.8-54.1-173.4179.90000110.7L243 H245 T252L243-V254 HydrophobicContact CB-CB 4.5Å; L243-V254 HydrophobicContact CD2-CB 3.61Å; L243-V254 HydrophobicContact CD2-CG1 3.95Å; L243-V254 HydrophobicContact CD2-CG2 3.7Å; L243-V254 PolarHBondContact O-N 3.45Å; H245-V254 HydrophobicContact CB-CG2 3.62Å; T252-V254 PolarHBondContact O-N 3.5Å
255S93.5Very high95.2Very high25 Ų2561.2 Ų61.218%0.17531%0.312CS..EExtended strand (participates in β ladder)trans-157.2155.1-175.560.20000112.8L243L243-S255 PolarHBondContact N-O 3.33Å; L243-S255 PolarHBondContact O-N 2.89Å
256Q95.1Very high95Very high96 Ų9661 Ų6145%0.44931%0.31SS..EExtended strand (participates in β ladder)trans-126103.3166.1179.5176.214.700107.4Q240 V241 N242Q240-Q256 HydrophobicContact CB-CG 4.44Å; V241-Q256 WeakPolarHBondContact O-CA 3.37Å; N242-Q256 WeakPolarHBondContact OD1-CG 3.36Å
257S94.9Very high94.7Very high29 Ų2966.4 Ų66.420%0.20334%0.336CS..EExtended strand (participates in β ladder)trans-115.4133.3-172.9-58.60000110.5Q240 V241Q240-S257 CarbonylContact C-O 3.48Å; Q240-S257 WeakPolarHBondContact CA-O 3.11Å; V241-S257 PolarHBondContact N-O 3.48Å; V241-S257 PolarHBondContact O-N 2.99Å
258D96.7Very high94.6Very high63 Ų6367.9 Ų67.934%0.33735%0.354SS..EExtended strand (participates in β ladder)trans-72.4135.3174.8-165-71.4000110.9L260 M261 L262D258-L260 PolarHBondContact O-N 3.16Å; D258-L260 VanDerWaalsContact OD1-CB 3.28Å; D258-L260 WeakPolarHBondContact OD1-CB 3.26Å; D258-L260 PolarHBondContact OD1-N 3.37Å; D258-M261 HydrophobicContact CB-CB 4.43Å; D258-M261 HydrophobicContact CB-CG 4.09Å; D258-M261 PolarHBondContact O-N 3.21Å; D258-M261 VanDerWaalsContact O-N 3.16Å; D258-L262 WeakPolarHBondContact O-CG 3.4Å; D258-L262 PolarHBondContact O-N 3.17Å; D258-L262 VanDerWaalsContact O-N 3.09Å
259V95.5Very high94.3Very high25 Ų2569.5 Ų69.515%0.15235%0.354CS..Hα-helixtrans-60.4-32.9-178.9171.30000111.7Y228 T231 G239 V241 L262 H263Y228-V259 HydrophobicContact CD2-CG1 4.12Å; Y228-V259 HydrophobicContact CE2-CG1 4.48Å; T231-V259 HydrophobicContact CG2-CG2 4.3Å; T231-V259 WeakPolarHBondContact OG1-CG1 3.42Å; G239-V259 WeakPolarHBondContact O-CB 3.18Å; G239-V259 VanDerWaalsContact O-CG2 3.22Å; G239-V259 WeakPolarHBondContact O-CG2 3.34Å; G239-V259 PolarHBondContact O-N 3.09Å; G239-V259 VanDerWaalsContact O-N 3.09Å; V241-V259 HydrophobicContact CG2-CG2 3.83Å; V259-L262 PolarHBondContact O-N 3.08Å; V259-H263 WeakPolarHBondContact O-CB 3.34Å; V259-H263 PolarHBondContact O-N 3.26Å
260L94.6Very high93.7Very high104 Ų10470.2 Ų70.255%0.54535%0.354SS..Hα-helixtrans-66.8-41.8177.1179.562.2000111.9D258 L262 H263 Q264D258-L260 PolarHBondContact O-N 3.16Å; D258-L260 VanDerWaalsContact OD1-CB 3.28Å; D258-L260 WeakPolarHBondContact OD1-CB 3.26Å; D258-L260 PolarHBondContact OD1-N 3.37Å; L260-L262 VanDerWaalsContact C-N 3.32Å; L260-H263 VanDerWaalsContact O-CB 3.32Å; L260-H263 WeakPolarHBondContact O-CB 3.25Å; L260-H263 PolarHBondContact O-N 2.81Å; L260-Q264 WeakPolarHBondContact O-CG 3.27Å; L260-Q264 PolarHBondContact O-N 2.93Å; L260-Q264 VanDerWaalsContact O-N 3.11Å
261M94.9Very high92Very high117 Ų11776.8 Ų76.858%0.57641%0.408SS*.Hα-helixtrans-66-39.9177.5-64-59.2-63.200110.7D258 H263 Q264 Q265D258-M261 HydrophobicContact CB-CB 4.43Å; D258-M261 HydrophobicContact CB-CG 4.09Å; D258-M261 PolarHBondContact O-N 3.21Å; D258-M261 VanDerWaalsContact O-N 3.16Å; M261-H263 VanDerWaalsContact C-N 3.31Å; M261-H263 PolarHBondContact O-N 2.97Å; M261-Q264 PolarHBondContact O-N 2.75Å; M261-Q265 PolarHBondContact O-N 3.14Å
262L94.5Very high91.7Very high5 Ų578 Ų783%0.02642%0.418CS..Hα-helixtrans-63.5-37.5173.4-64.1179.5000112.3R224 Y228 V241 D258 V259 L260 Q265 Y266R224-L262 HydrophobicContact CG-CD1 3.69Å; R224-L262 HydrophobicContact CG-CD2 4.18Å; Y228-L262 HydrophobicContact CD2-CB 4.14Å; V241-L262 HydrophobicContact CB-CD1 4.32Å; V241-L262 HydrophobicContact CG2-CD1 3.81Å; D258-L262 WeakPolarHBondContact O-CG 3.4Å; D258-L262 PolarHBondContact O-N 3.17Å; D258-L262 VanDerWaalsContact O-N 3.09Å; V259-L262 PolarHBondContact O-N 3.08Å; L260-L262 VanDerWaalsContact C-N 3.32Å; L262-Q265 PolarHBondContact O-N 3.25Å; L262-Y266 HydrophobicContact CB-CD2 4.3Å; L262-Y266 HydrophobicContact CB-CE2 4.02Å; L262-Y266 WeakPolarHBondContact O-CD2 3.28Å; L262-Y266 PolarHBondContact O-N 2.72Å
263H94.2Very high91.5Very high50 Ų5078.7 Ų78.723%0.23142%0.42CS..Hα-helixtrans-59.4-48.2175.3-175.970.7000111.7Y228 V259 L260 M261 Q265 Y266 Q267Y228-H263 HydrophobicContact CE2-CB 3.87Å; Y228-H263 AromaticContact CZ-ND1 3.84Å; Y228-H263 PolarHBondContact OH-ND1 3.35Å; V259-H263 WeakPolarHBondContact O-CB 3.34Å; V259-H263 PolarHBondContact O-N 3.26Å; L260-H263 VanDerWaalsContact O-CB 3.32Å; L260-H263 WeakPolarHBondContact O-CB 3.25Å; L260-H263 PolarHBondContact O-N 2.81Å; M261-H263 VanDerWaalsContact C-N 3.31Å; M261-H263 PolarHBondContact O-N 2.97Å; H263-Q265 VanDerWaalsContact C-N 3.34Å; H263-Q265 PolarHBondContact O-N 2.91Å; H263-Y266 PolarHBondContact O-N 3.36Å; H263-Q267 PolarHBondContact CE1-NE2 3.49Å; H263-Q267 VanDerWaalsContact CE1-NE2 3.32Å; H263-Q267 PolarHBondContact NE2-NE2 3.02Å; H263-Q267 WeakPolarHBondContact O-CB 3.35Å; H263-Q267 WeakPolarHBondContact O-CG 3.42Å; H263-Q267 PolarHBondContact O-N 3.1Å
264Q94.6Very high91.2Very high103 Ų10377.7 Ų77.748%0.48142%0.423SS..Hα-helixtrans-61.7-43.3178.3-68.6173.2-8.300111.4L260 M261 Q267 A268L260-Q264 WeakPolarHBondContact O-CG 3.27Å; L260-Q264 PolarHBondContact O-N 2.93Å; L260-Q264 VanDerWaalsContact O-N 3.11Å; M261-Q264 PolarHBondContact O-N 2.75Å; Q264-Q267 PolarHBondContact O-N 2.7Å; Q264-A268 WeakPolarHBondContact O-CB 3.3Å; Q264-A268 PolarHBondContact O-N 3.01Å
265Q93.9Very high90.9Very high90 Ų9078.5 Ų78.542%0.42143%0.425SS..Hα-helixtrans-60.5-53176.8-174.9-175.3-16.900111.8M261 L262 H263 Q267 A268 E269M261-Q265 PolarHBondContact O-N 3.14Å; L262-Q265 PolarHBondContact O-N 3.25Å; H263-Q265 VanDerWaalsContact C-N 3.34Å; H263-Q265 PolarHBondContact O-N 2.91Å; Q265-Q267 VanDerWaalsContact C-N 3.27Å; Q265-Q267 PolarHBondContact O-N 3.02Å; Q265-A268 PolarHBondContact O-N 2.7Å; Q265-A268 VanDerWaalsContact O-N 3.14Å; Q265-E269 WeakPolarHBondContact CG-OE1 3.5Å; Q265-E269 PolarHBondContact NE2-OE1 3.29Å; Q265-E269 VanDerWaalsContact NE2-OE1 3.07Å; Q265-E269 WeakPolarHBondContact O-CG 3.19Å; Q265-E269 PolarHBondContact O-N 3.15Å
266Y93.1Very high90.8Very high14 Ų1481.9 Ų81.96%0.05544%0.44CS..Hα-helixtrans-70.5-21.1-178.4-64.7-45.7000113.8Y228 L262 H263 E269 K270Y228-Y266 AromaticContact CD1-CD2 3.48Å; Y228-Y266 HydrophobicContact CD1-CD2 3.48Å; Y228-Y266 VanDerWaalsContact CD1-CD2 3.48Å; Y228-Y266 AromaticContact CD1-CE2 3.62Å; Y228-Y266 HydrophobicContact CD1-CE2 3.62Å; Y228-Y266 HydrophobicContact CD2-CD2 4.2Å; Y228-Y266 HydrophobicContact CD2-CE2 4.31Å; Y228-Y266 AromaticContact CE1-CD2 3.52Å; Y228-Y266 HydrophobicContact CE1-CD2 3.52Å; Y228-Y266 HydrophobicContact CE1-CE2 4.16Å; Y228-Y266 HydrophobicContact CE1-CG 4.37Å; Y228-Y266 HydrophobicContact CE2-CD2 4.25Å; Y228-Y266 AromaticContact CG-CD2 3.84Å; Y228-Y266 HydrophobicContact CG-CD2 3.84Å; Y228-Y266 AromaticContact CG-CE2 3.71Å; Y228-Y266 HydrophobicContact CG-CE2 3.71Å; Y228-Y266 AromaticContact CZ-CD2 3.92Å; L262-Y266 HydrophobicContact CB-CD2 4.3Å; L262-Y266 HydrophobicContact CB-CE2 4.02Å; L262-Y266 WeakPolarHBondContact O-CD2 3.28Å; L262-Y266 PolarHBondContact O-N 2.72Å; H263-Y266 PolarHBondContact O-N 3.36Å; Y266-E269 WeakPolarHBondContact CD1-OE2 3.32Å; Y266-K270 WeakPolarHBondContact O-CG 3.38Å
267Q91.6Very high90.5Very high115 Ų11580.9 Ų80.954%0.53744%0.44SS..Hα-helixtrans-73.9-42.7168.9-80.3-161.3-13.200111.6H263 Q264 Q265 E269 K270 A271H263-Q267 PolarHBondContact CE1-NE2 3.49Å; H263-Q267 VanDerWaalsContact CE1-NE2 3.32Å; H263-Q267 PolarHBondContact NE2-NE2 3.02Å; H263-Q267 WeakPolarHBondContact O-CB 3.35Å; H263-Q267 WeakPolarHBondContact O-CG 3.42Å; H263-Q267 PolarHBondContact O-N 3.1Å; Q264-Q267 PolarHBondContact O-N 2.7Å; Q265-Q267 VanDerWaalsContact C-N 3.27Å; Q265-Q267 PolarHBondContact O-N 3.02Å; Q267-E269 VanDerWaalsContact C-N 3.31Å; Q267-E269 PolarHBondContact O-N 2.84Å; Q267-K270 PolarHBondContact O-N 3.23Å; Q267-K270 VanDerWaalsContact O-N 3.16Å; Q267-A271 PolarHBondContact O-N 2.82Å
268A91.8Very high90.2Very high69 Ų6984.6 Ų84.657%0.5746%0.457SS*.Hα-helixtrans-63.5-36177.100000112.3Q264 Q265 K270 A271Q264-A268 WeakPolarHBondContact O-CB 3.3Å; Q264-A268 PolarHBondContact O-N 3.01Å; Q265-A268 PolarHBondContact O-N 2.7Å; Q265-A268 VanDerWaalsContact O-N 3.14Å; A268-K270 PolarHBondContact O-N 3.32Å; A268-A271 PolarHBondContact O-N 3Å
269E87.8Confident89.7Confident111 Ų11186.3 Ų86.352%0.51947%0.466SS..THydrogen-bonded Turntrans-68.3-19.4175.7-71.7171.5-166.600113.9Q265 Y266 Q267Q265-E269 WeakPolarHBondContact CG-OE1 3.5Å; Q265-E269 PolarHBondContact NE2-OE1 3.29Å; Q265-E269 VanDerWaalsContact NE2-OE1 3.07Å; Q265-E269 WeakPolarHBondContact O-CG 3.19Å; Q265-E269 PolarHBondContact O-N 3.15Å; Y266-E269 WeakPolarHBondContact CD1-OE2 3.32Å; Q267-E269 VanDerWaalsContact C-N 3.31Å; Q267-E269 PolarHBondContact O-N 2.84Å
270K79.8Confident89.2Confident177 Ų17791.4 Ų91.477%0.7749%0.492SS*.THydrogen-bonded Turntrans-92.3-18.4178.2-76.5-179.4179.4-174.40113.8Y266 Q267 A268Y266-K270 WeakPolarHBondContact O-CG 3.38Å; Q267-K270 PolarHBondContact O-N 3.23Å; Q267-K270 VanDerWaalsContact O-N 3.16Å; A268-K270 PolarHBondContact O-N 3.32Å
271A59.6Low88.7Confident142 Ų14290.3 Ų90.3100%1.17449%0.487SS*.  trans-82.20-178.800000110.7Q267 A268Q267-A271 PolarHBondContact O-N 2.82Å; A268-A271 PolarHBondContact O-N 3Å

Retrieved 271 of 271 residues in 1374.4 ms (Link to these results)