A0A061IDR1_CRIGR Loading...

Intermediate filament containing protein

AlphaFold DB , UniProt , Accession A0A061IDR1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Lmntd2, Length 660 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
1M39.4Very low35.4Very low244 Ų244155 Ų155100%1.20286%0.856SS**  096.60-72.4-77.9-92.700107.5
2A39.3Very low35.3Very low85 Ų85155.6 Ų155.670%0.70285%0.848SS**  trans-76.7175.2162.900000109
3P47.9Very low35Very low133 Ų133158.9 Ų158.986%0.86485%0.854SS**  -136156.49533.4-19.5000115
4K38.5Very low34.5Very low197 Ų197155.9 Ų155.986%0.85784%0.844SS**  trans-91.9154.4168.7-62.2175.8172.3-179.10109.8
5S34.9Very low34.6Very low106 Ų106152.7 Ų152.774%0.74184%0.838SS**  trans-170.8118132.558.80000107.6
6C29.5Very low34.6Very low125 Ų125151.1 Ų151.185%0.84584%0.837SS**  106.2116.678.2-78.50000108.7
7Q30.6Very low34.3Very low198 Ų198147.6 Ų147.693%0.92583%0.833SS**  -171119.7103-158.2150.6-4.900110.6
8E29.8Very low34.7Very low160 Ų160146.2 Ų146.275%0.74883%0.83SS**  trans-71.3153165.3-82.8157.414500111.3
9S35.2Very low34.4Very low122 Ų122145.2 Ų145.285%0.85383%0.834SS**  trans-139.1104.5139.658.10000107.3
10E32.7Very low34Very low161 Ų161141.7 Ų141.775%0.75283%0.831SS**  trans-72.7141.7162-65.9177.4123.500108.7
11D32Very low33.7Very low174 Ų174142.1 Ų142.193%0.9384%0.835SS**  trans-145.2116.5139.1-99.3-30.6000108.5
12E33.9Very low33.3Very low162 Ų162139.8 Ų139.876%0.75782%0.817SS**  trans-81.6129.7178-177.6-177.2-17400108.8
13Q31.1Very low33.5Very low199 Ų199140.4 Ų140.493%0.9381%0.814SS**  trans-154.6131.1145-119.6166.455.500114.6
14V28.9Very low32.4Very low116 Ų116142.3 Ų142.370%0.70382%0.817SS**  trans-77.2145.3-172.7162.80000112
15S35.5Very low31.9Very low109 Ų109137.8 Ų137.876%0.76281%0.811SS**  trans-58.3152.8168.6-46.60000113.1
16P34.6Very low31.5Very low127 Ų127143.8 Ų143.883%0.82582%0.817SS**  -141.9138.2123.733.3-17.7000114.2
17A28.7Very low31.4Very low92 Ų92146.2 Ų146.276%0.7682%0.816SS**  trans-99.2160.5143.100000106.3
18P42.3Very low31.5Very low121 Ų121144.6 Ų144.679%0.78681%0.813SS**  cis-148.117238.738.5-16.8000116
19S29.2Very low31.3Very low128 Ų128145.6 Ų145.690%0.89582%0.817SS**  trans-157.8120.3154.8-69.40000109.3
20G26.8Very low31.1Very low75 Ų75145 Ų14577%0.77381%0.814SS**  trans-86153.1-17700000113.8
21V27.8Very low31.5Very low151 Ų151143.8 Ų143.892%0.91582%0.82SS**  trans-145.4130.4149-1790000107.6
22K30Very low31.3Very low194 Ų194139.2 Ų139.284%0.84381%0.814SS**  trans-133.7168.7162.3-123.4-164.6-179.5-1800104.9
23P44.3Very low30.9Very low98 Ų98135.5 Ų135.564%0.63682%0.818SS**  cis-126.4178-30.433.8-16.7000110.6
24D25Very low30.8Very low173 Ų173132.6 Ų132.693%0.92582%0.815SS**  trans-135135.2154.4-104.4-28.3000111
25S28.5Very low31.5Very low103 Ų103132.2 Ų132.272%0.7282%0.815SS**  trans-102148-170.9-57.50000110.9
26R26.5Very low31.3Very low231 Ų231135.4 Ų135.487%0.87282%0.822SS**  trans179.6106.7141.9-99.3164-173.9-165.42.7107.8
27E26.8Very low31Very low176 Ų176136.3 Ų136.382%0.82282%0.82SS**  65.7108.491.6-86.5-173165.600113.8
28L32.4Very low31Very low164 Ų164138.2 Ų138.286%0.85982%0.822SS**  trans-162.397.1141-104.2145.1000109.4
29E25.3Very low30.4Very low181 Ų181138.4 Ų138.485%0.84682%0.821SS**  trans26136.6140.1-65.3179.8145.100122.4
30S30.7Very low30.4Very low111 Ų111136.6 Ų136.678%0.77681%0.814SS**  trans-67.4169.5158.8-57.90000112.5
31P42Very low30.8Very low135 Ų135139.2 Ų139.288%0.87782%0.817SS**  -139.716587.733.2-16.2000110.8
32G26.9Very low30.7Very low78 Ų78137 Ų13780%0.80481%0.808SS**  cis149.4139.71700000106.4
33G26Very low30.5Very low83 Ų83132.8 Ų132.886%0.85680%0.803SS**  trans120.8101.7162.100000117.4
34T28.8Very low29.9Very low139 Ų139133 Ų13385%0.85381%0.807SS**  trans-125.3177.6147.2-10.50000105.8
35P44.3Very low30.2Very low108 Ų108133.8 Ų133.870%0.70181%0.805SS**  cis-127.9176.8-29.925.7-4.5000111.2
36L31.6Very low30.1Very low176 Ų176134.6 Ų134.692%0.92181%0.811SS**  trans-158.7131.3137.9-131.3108.7000112.7
37D27.2Very low30.3Very low145 Ų145128.9 Ų128.978%0.77581%0.806SS**  trans-50.6148.1172.6-84-50.6000114.5
38T29.4Very low30.6Very low132 Ų132130 Ų13081%0.8181%0.808SS**  trans-156.4100.5139.5-64.40000110.9
39V30Very low31.2Very low126 Ų126126.7 Ų126.776%0.76480%0.797SS**  trans56.6110.6131.1-174.60000119
40A28.6Very low31.2Very low89 Ų89128.1 Ų128.174%0.73680%0.796SS**  trans-69.9163.1152.900000111.7
41P35.9Very low31.1Very low130 Ų130128.6 Ų128.684%0.84480%0.798SS**  -128.8155.2124.335.2-26.4000113.9
42S25.5Very low30.4Very low104 Ų104126.2 Ų126.273%0.72779%0.79SS**  trans-87.1166.9-170.148.70000114.9
43S25.6Very low30.7Very low107 Ų107128.1 Ų128.175%0.74879%0.791SS**  trans88.3142.8145.9910000115.4
44S31.4Very low30.9Very low101 Ų101130.1 Ų130.171%0.70679%0.787SS**  cis-163.9131.823.6-65.10000112.4
45Q30Very low31.4Very low191 Ų191129.3 Ų129.389%0.89378%0.784SS**  41.3149.3128.8-61.9-174-500125.3
46S26.7Very low31.4Very low119 Ų119130.9 Ų130.983%0.83279%0.791SS**  trans102.4125.8151.8-165.10000114.5
47S31.1Very low31.3Very low112 Ų112125.8 Ų125.878%0.78378%0.781SS**  cis-161.1153.13247.10000112.9
48K33.4Very low31.7Very low199 Ų199125.2 Ų125.287%0.86579%0.787SS**  trans-75.1-165.3-177.9-61.1173.9174.6174.50114.6
49P43.8Very low32.1Very low95 Ų95123.8 Ų123.862%0.61778%0.782SS**  -128.6178.2-67.136.7-19.3000112.6
50Y26.9Very low32.5Very low211 Ų211121.6 Ų121.683%0.82778%0.777SS**  168.9123.2128.2-94.1-71.7000112.8
51C28.2Very low33.4Very low120 Ų120126.8 Ų126.881%0.81178%0.783SS**  trans23.6147.1146.4-68.20000121.9
52A27.1Very low33.9Very low86 Ų86127.1 Ų127.171%0.71177%0.774SS**  cis-175.2144.2-4.100000107.2
53S33Very low35.1Very low118 Ų118131.5 Ų131.583%0.82578%0.782SS**  trans-177.9114.7134.924.70000109.9
54T30.9Very low36.3Very low125 Ų125130.8 Ų130.877%0.76777%0.77SS**  trans-56.9149.9169.7-9.20000111
55P38.5Very low37.3Very low122 Ų122128.6 Ų128.679%0.79275%0.754SS**  -126.2143.2112.733.9-26.6000111.6G57P55-G57 PolarHBondContact O-N 3.45Å
56V44.3Very low38.6Very low140 Ų140124 Ų12485%0.84874%0.742SS**  trans-58.8123-178.9177.30000110.1
57G29.1Very low40.2Very low70 Ų70127.1 Ų127.172%0.72274%0.743SS**  trans-167.294.3171.900000108.7P55 S59P55-G57 PolarHBondContact O-N 3.45Å; G57-S59 PolarHBondContact O-N 3.39Å
58C35.9Very low41.7Very low133 Ų133126.6 Ų126.690%0.89974%0.735SS**  trans-52.3118.6-179.4-70.80000112.2
59S38.8Very low43.4Very low102 Ų102119.3 Ų119.371%0.71371%0.705SS**  trans-155.980.7141.8-167.20000108.2G57 K61G57-S59 PolarHBondContact O-N 3.39Å; S59-K61 PolarHBondContact O-N 3.34Å; S59-K61 VanDerWaalsContact O-N 3.13Å
60A38.6Very low45.2Very low79 Ų79119 Ų11965%0.65370%0.698SS**  trans-59.6113.1151.900000105.7Q62A60-Q62 HydrophobicContact CB-CG 4.12Å; A60-Q62 PolarHBondContact O-N 3.22Å
61K47.7Very low47.9Very low199 Ų199113.5 Ų113.587%0.86569%0.689SS**  trans-66.269.5158.1-72.5-177.6179.1179.70107.4S59 Q63S59-K61 PolarHBondContact O-N 3.34Å; S59-K61 VanDerWaalsContact O-N 3.13Å; K61-Q63 PolarHBondContact O-N 2.66Å
62Q46.1Very low50.4Low137 Ų137111.8 Ų111.864%0.6468%0.677SS**  trans-73.2106.5157.7-74.7179.8-8.100104.6A60 L64A60-Q62 HydrophobicContact CB-CG 4.12Å; A60-Q62 PolarHBondContact O-N 3.22Å; Q62-L64 HydrophobicContact CB-CG 3.98Å; Q62-L64 PolarHBondContact O-N 3.43Å
63Q49.9Very low53.2Low195 Ų195110.4 Ų110.491%0.91166%0.66SS**  trans-62.379.7156-80.6174.5-50.800106.8K61K61-Q63 PolarHBondContact O-N 2.66Å
64L51.6Low55.7Low92 Ų92108.1 Ų108.148%0.48264%0.638SS.*  trans-75.1120.7162.4-68.3170.5000105.4Q62 L69Q62-L64 HydrophobicContact CB-CG 3.98Å; Q62-L64 PolarHBondContact O-N 3.43Å; L64-L69 HydrophobicContact CB-CD1 4.39Å; L64-L69 HydrophobicContact CD1-CD2 4.17Å
65S51.7Low58.5Low55 Ų55110.6 Ų110.639%0.38563%0.633SS.*  trans-51.3132169.744.80000108.6E67 T68S65-E67 PolarHBondContact O-N 3.44Å; S65-T68 PolarHBondContact O-N 3.16Å; S65-T68 PolarHBondContact O-OG1 3.09Å; S65-T68 VanDerWaalsContact O-OG1 3.06Å; S65-T68 PolarHBondContact OG-OG1 3.45Å
66P57.9Low61Low96 Ų96110.1 Ų110.162%0.62362%0.623SS**G310 helixtrans-53.9-24.4179.3-2331000113T68P66-T68 VanDerWaalsContact C-N 3.28Å; P66-T68 PolarHBondContact O-N 3.19Å
67E60.3Low63.2Low183 Ų183107.2 Ų107.286%0.85560%0.603SS**G310 helixtrans-74-9.1-174.2-67.6165.9165.400114.6S65S65-E67 PolarHBondContact O-N 3.44Å
68T61.1Low66.1Low102 Ų102112.3 Ų112.363%0.62660%0.6SS**G310 helixtrans-112.62-179.250.70000114.5S65 P66S65-T68 PolarHBondContact O-N 3.16Å; S65-T68 PolarHBondContact O-OG1 3.09Å; S65-T68 VanDerWaalsContact O-OG1 3.06Å; S65-T68 PolarHBondContact OG-OG1 3.45Å; P66-T68 VanDerWaalsContact C-N 3.28Å; P66-T68 PolarHBondContact O-N 3.19Å
69L70.7Confident68.8Low45 Ų45110.5 Ų110.524%0.23658%0.579CS.*SBendtrans-91.9136.7-176.5-75.4159.9000111.5L64 T73 L74L64-L69 HydrophobicContact CB-CD1 4.39Å; L64-L69 HydrophobicContact CD1-CD2 4.17Å; L69-T73 HydrophobicContact CD2-CG2 4.22Å; L69-L74 HydrophobicContact CB-CD1 4.35Å; L69-L74 HydrophobicContact CB-CD2 3.96Å; L69-L74 HydrophobicContact CB-CG 3.89Å; L69-L74 HydrophobicContact CD1-CD2 3.92Å
70D80.7Confident71.3Confident89 Ų89111.6 Ų111.648%0.47657%0.572SS.*  trans-57.8136.1174.6175.163.5000110.8C72 T73 L74D70-C72 PolarHBondContact O-N 3.18Å; D70-C72 VanDerWaalsContact O-N 3.08Å; D70-C72 VanDerWaalsContact OD2-CB 3.27Å; D70-C72 WeakPolarHBondContact OD2-CB 3.38Å; D70-C72 PolarHBondContact OD2-N 3.49Å; D70-T73 WeakPolarHBondContact O-CA 3.4Å; D70-T73 WeakPolarHBondContact O-CB 3.45Å; D70-T73 PolarHBondContact O-N 3.4Å; D70-L74 PolarHBondContact O-N 3.42Å; D70-L74 VanDerWaalsContact O-N 3.15Å
71P82.9Confident73.8Confident96 Ų96115 Ų11562%0.62357%0.568SS**Hα-helixtrans-54.2-31.2-176.7-29.535.8000114.8L74 R75P71-L74 PolarHBondContact O-N 3.13Å; P71-R75 PolarHBondContact O-N 2.83Å; P71-R75 VanDerWaalsContact O-N 3.09Å
72C81.7Confident76.1Confident83 Ų83108.9 Ų108.956%0.56154%0.543SS*.Hα-helixtrans-70-35.8177.2-56.90000111.6D70 R75 L76D70-C72 PolarHBondContact O-N 3.18Å; D70-C72 VanDerWaalsContact O-N 3.08Å; D70-C72 VanDerWaalsContact OD2-CB 3.27Å; D70-C72 WeakPolarHBondContact OD2-CB 3.38Å; D70-C72 PolarHBondContact OD2-N 3.49Å; C72-R75 PolarHBondContact O-N 2.86Å; C72-L76 WeakPolarHBondContact O-CG 3.48Å; C72-L76 PolarHBondContact O-N 2.86Å; C72-L76 VanDerWaalsContact O-N 3.09Å
73T85.7Confident78.3Confident58 Ų58107.8 Ų107.836%0.35654%0.541SS..Hα-helixtrans-68.8-39.3176.9-53.60000111.1L69 D70 L76 L77L69-T73 HydrophobicContact CD2-CG2 4.22Å; D70-T73 WeakPolarHBondContact O-CA 3.4Å; D70-T73 WeakPolarHBondContact O-CB 3.45Å; D70-T73 PolarHBondContact O-N 3.4Å; T73-L76 PolarHBondContact O-N 2.96Å; T73-L77 HydrophobicContact CG2-CD1 4.24Å; T73-L77 WeakPolarHBondContact O-CG 3.49Å; T73-L77 PolarHBondContact O-N 3.39Å
74L86Confident80.5Confident70 Ų70102.5 Ų102.537%0.36652%0.516SS..Hα-helixtrans-64.4-40.4174.5-72.6174.3000112.2L69 D70 P71 L77 W78L69-L74 HydrophobicContact CB-CD1 4.35Å; L69-L74 HydrophobicContact CB-CD2 3.96Å; L69-L74 HydrophobicContact CB-CG 3.89Å; L69-L74 HydrophobicContact CD1-CD2 3.92Å; D70-L74 PolarHBondContact O-N 3.42Å; D70-L74 VanDerWaalsContact O-N 3.15Å; P71-L74 PolarHBondContact O-N 3.13Å; L74-L77 PolarHBondContact O-N 2.86Å; L74-W78 VanDerWaalsContact O-CB 3.32Å; L74-W78 WeakPolarHBondContact O-CB 3.27Å; L74-W78 PolarHBondContact O-N 3.14Å
75R89.4Confident82.4Confident176 Ų176101.5 Ų101.566%0.66451%0.51SS*.Hα-helixtrans-61.1-46.8175-178.5178.3-81.4-171.1-5.9111.5P71 C72 L77 W78 E79P71-R75 PolarHBondContact O-N 2.83Å; P71-R75 VanDerWaalsContact O-N 3.09Å; C72-R75 PolarHBondContact O-N 2.86Å; R75-L77 PolarHBondContact O-N 2.97Å; R75-W78 PolarHBondContact O-N 2.88Å; R75-E79 HydrophobicContact CG-CG 4.5Å; R75-E79 WeakPolarHBondContact O-CG 3.27Å; R75-E79 PolarHBondContact O-N 3.17Å
76L91Very high84.3Confident112 Ų112103.5 Ų103.559%0.58651%0.514SS*.Hα-helixtrans-62.7-42.1178.3-73.2169.5000112.5C72 T73 W78 E79 Q80C72-L76 WeakPolarHBondContact O-CG 3.48Å; C72-L76 PolarHBondContact O-N 2.86Å; C72-L76 VanDerWaalsContact O-N 3.09Å; T73-L76 PolarHBondContact O-N 2.96Å; L76-W78 VanDerWaalsContact C-N 3.32Å; L76-W78 PolarHBondContact O-N 3.22Å; L76-E79 PolarHBondContact O-N 3.03Å; L76-Q80 WeakPolarHBondContact O-CB 3.24Å; L76-Q80 PolarHBondContact O-N 2.88Å
77L90.6Very high85.7Confident79 Ų79101.7 Ų101.741%0.41451%0.507SS..Hα-helixtrans-66.1-35.8176.3-72.6172.4000112.1T73 L74 R75 R81T73-L77 HydrophobicContact CG2-CD1 4.24Å; T73-L77 WeakPolarHBondContact O-CG 3.49Å; T73-L77 PolarHBondContact O-N 3.39Å; L74-L77 PolarHBondContact O-N 2.86Å; R75-L77 PolarHBondContact O-N 2.97Å; L77-R81 WeakPolarHBondContact O-CB 3.46Å; L77-R81 WeakPolarHBondContact O-CG 3.06Å; L77-R81 PolarHBondContact O-N 2.89Å
78W89.6Confident87Confident177 Ų17798 Ų9867%0.6749%0.492SS*.Hα-helixtrans-68.4-45.6175.6-172.577.2000111.6L74 R75 L76 Q80 R81 E82L74-W78 VanDerWaalsContact O-CB 3.32Å; L74-W78 WeakPolarHBondContact O-CB 3.27Å; L74-W78 PolarHBondContact O-N 3.14Å; R75-W78 PolarHBondContact O-N 2.88Å; L76-W78 VanDerWaalsContact C-N 3.32Å; L76-W78 PolarHBondContact O-N 3.22Å; W78-Q80 VanDerWaalsContact C-N 3.32Å; W78-Q80 PolarHBondContact O-N 2.75Å; W78-R81 PolarHBondContact O-N 3.02Å; W78-E82 PolarHBondContact O-N 3.47Å
79E91.9Very high88.4Confident95 Ų95101.4 Ų101.444%0.44449%0.494SS..Hα-helixtrans-60.1-41.5173.5-74175.8-176.200111.7R75 L76 R81 E82 L83R75-E79 HydrophobicContact CG-CG 4.5Å; R75-E79 WeakPolarHBondContact O-CG 3.27Å; R75-E79 PolarHBondContact O-N 3.17Å; L76-E79 PolarHBondContact O-N 3.03Å; E79-R81 PolarHBondContact O-N 3.35Å; E79-E82 PolarHBondContact O-N 3.16Å; E79-L83 WeakPolarHBondContact O-CG 3.42Å; E79-L83 PolarHBondContact O-N 3.31Å
80Q92Very high89.2Confident125 Ų125107.9 Ų107.958%0.58452%0.515SS*.Hα-helixtrans-62-42.6175.2-176.5179.4-4.100111.9L76 W78 L83 E84L76-Q80 WeakPolarHBondContact O-CB 3.24Å; L76-Q80 PolarHBondContact O-N 2.88Å; W78-Q80 VanDerWaalsContact C-N 3.32Å; W78-Q80 PolarHBondContact O-N 2.75Å; Q80-L83 PolarHBondContact O-N 3.02Å; Q80-E84 PolarHBondContact O-N 2.82Å
81R91.6Very high89.2Confident151 Ų151105.7 Ų105.757%0.5751%0.51SS*.Hα-helixtrans-66.4-37.6176.1-80.8-60.2-163.3176.54.5112.4L77 W78 E79 E84 I85L77-R81 WeakPolarHBondContact O-CB 3.46Å; L77-R81 WeakPolarHBondContact O-CG 3.06Å; L77-R81 PolarHBondContact O-N 2.89Å; W78-R81 PolarHBondContact O-N 3.02Å; E79-R81 PolarHBondContact O-N 3.35Å; R81-E84 WeakPolarHBondContact CD-OE2 3.39Å; R81-E84 IonicContact CZ-OE2 2.71Å; R81-E84 IonicContact NE-OE2 3.69Å; R81-E84 IonicContact NH1-OE1 3.8Å; R81-E84 PolarHBondContact NH1-OE1 2.92Å; R81-E84 IonicContact NH1-OE2 3.74Å; R81-E84 PolarHBondContact NH1-OE2 3Å; R81-E84 PolarHBondContact O-N 3.02Å; R81-I85 WeakPolarHBondContact O-CB 3.05Å; R81-I85 WeakPolarHBondContact O-CD1 3.46Å; R81-I85 VanDerWaalsContact O-CG1 3.22Å; R81-I85 WeakPolarHBondContact O-CG1 3.47Å; R81-I85 PolarHBondContact O-N 3.17Å
82E94.9Very high89.3Confident70 Ų70105 Ų10533%0.32750%0.504SS..Hα-helixtrans-63.9-43.1176.6-173.255.1-144.400111.1W78 E79 E84 I85 Q86W78-E82 PolarHBondContact O-N 3.47Å; E79-E82 PolarHBondContact O-N 3.16Å; E82-E84 PolarHBondContact O-N 3.08Å; E82-I85 PolarHBondContact O-N 3.08Å; E82-Q86 WeakPolarHBondContact O-CB 3.39Å; E82-Q86 VanDerWaalsContact O-CG 3.27Å; E82-Q86 WeakPolarHBondContact O-CG 3.44Å; E82-Q86 PolarHBondContact O-N 3.19Å; E82-Q86 PolarHBondContact OE1-NE2 2.66Å; E82-Q86 VanDerWaalsContact OE1-NE2 3.13Å
83L93.6Very high89.4Confident114 Ų114106.7 Ų106.760%0.59750%0.503SS*.Hα-helixtrans-65-38.6175.1-70175.8000112.9E79 Q80 Q86 A87E79-L83 WeakPolarHBondContact O-CG 3.42Å; E79-L83 PolarHBondContact O-N 3.31Å; Q80-L83 PolarHBondContact O-N 3.02Å; L83-Q86 PolarHBondContact O-N 3.12Å; L83-A87 WeakPolarHBondContact O-CB 3.44Å; L83-A87 PolarHBondContact O-N 2.92Å
84E95Very high89.2Confident85 Ų85106.7 Ų106.740%0.39750%0.501SS..Hα-helixtrans-63.3-44.4174.4-172.7-176.6-178.100111.1Q80 R81 E82 Q86 A87 L88Q80-E84 PolarHBondContact O-N 2.82Å; R81-E84 WeakPolarHBondContact CD-OE2 3.39Å; R81-E84 IonicContact CZ-OE2 2.71Å; R81-E84 IonicContact NE-OE2 3.69Å; R81-E84 IonicContact NH1-OE1 3.8Å; R81-E84 PolarHBondContact NH1-OE1 2.92Å; R81-E84 IonicContact NH1-OE2 3.74Å; R81-E84 PolarHBondContact NH1-OE2 3Å; R81-E84 PolarHBondContact O-N 3.02Å; E82-E84 PolarHBondContact O-N 3.08Å; E84-Q86 VanDerWaalsContact C-N 3.32Å; E84-Q86 PolarHBondContact O-N 3.31Å; E84-A87 PolarHBondContact O-N 3.23Å; E84-L88 HydrophobicContact CG-CD1 4.32Å; E84-L88 WeakPolarHBondContact O-CB 3.26Å; E84-L88 VanDerWaalsContact O-CG 3.26Å; E84-L88 WeakPolarHBondContact O-CG 3.46Å; E84-L88 PolarHBondContact O-N 2.81Å
85I91.6Very high89Confident70 Ų70107.4 Ų107.436%0.35951%0.505SS..Hα-helixtrans-62.2-41.5176.2-69.7164.8000110.7R81 E82 L88 R89R81-I85 WeakPolarHBondContact O-CB 3.05Å; R81-I85 WeakPolarHBondContact O-CD1 3.46Å; R81-I85 VanDerWaalsContact O-CG1 3.22Å; R81-I85 WeakPolarHBondContact O-CG1 3.47Å; R81-I85 PolarHBondContact O-N 3.17Å; E82-I85 PolarHBondContact O-N 3.08Å; I85-L88 PolarHBondContact O-N 3.04Å; I85-R89 VanDerWaalsContact O-CG 3.27Å; I85-R89 WeakPolarHBondContact O-CG 3.47Å; I85-R89 PolarHBondContact O-N 2.98Å
86Q92.8Very high88.6Confident97 Ų97104.5 Ų104.545%0.45350%0.499SS..Hα-helixtrans-65.3-43.1176.4-73.1175.21400112E82 L83 E84 L88 R89 W90E82-Q86 WeakPolarHBondContact O-CB 3.39Å; E82-Q86 VanDerWaalsContact O-CG 3.27Å; E82-Q86 WeakPolarHBondContact O-CG 3.44Å; E82-Q86 PolarHBondContact O-N 3.19Å; E82-Q86 PolarHBondContact OE1-NE2 2.66Å; E82-Q86 VanDerWaalsContact OE1-NE2 3.13Å; L83-Q86 PolarHBondContact O-N 3.12Å; E84-Q86 VanDerWaalsContact C-N 3.32Å; E84-Q86 PolarHBondContact O-N 3.31Å; Q86-L88 VanDerWaalsContact C-N 3.33Å; Q86-L88 PolarHBondContact O-N 2.91Å; Q86-R89 PolarHBondContact O-N 2.7Å; Q86-W90 WeakPolarHBondContact O-CB 3.36Å; Q86-W90 PolarHBondContact O-N 3.27Å
87A87Confident88.1Confident59 Ų59102.6 Ų102.649%0.48849%0.49SS..Hα-helixtrans-62.5-40.2175.700000112L83 E84 W90 A91L83-A87 WeakPolarHBondContact O-CB 3.44Å; L83-A87 PolarHBondContact O-N 2.92Å; E84-A87 PolarHBondContact O-N 3.23Å; A87-W90 PolarHBondContact O-N 3.27Å; A87-A91 WeakPolarHBondContact O-CB 3.27Å; A87-A91 PolarHBondContact O-N 2.66Å
88L87.8Confident87.5Confident104 Ų104101.7 Ų101.755%0.54549%0.494SS..Hα-helixtrans-65.7-42.8175.3-71.4171.9000111.9E84 I85 Q86 W90 A91 V92E84-L88 HydrophobicContact CG-CD1 4.32Å; E84-L88 WeakPolarHBondContact O-CB 3.26Å; E84-L88 VanDerWaalsContact O-CG 3.26Å; E84-L88 WeakPolarHBondContact O-CG 3.46Å; E84-L88 PolarHBondContact O-N 2.81Å; I85-L88 PolarHBondContact O-N 3.04Å; Q86-L88 VanDerWaalsContact C-N 3.33Å; Q86-L88 PolarHBondContact O-N 2.91Å; L88-W90 VanDerWaalsContact C-N 3.34Å; L88-W90 PolarHBondContact O-N 3.03Å; L88-A91 PolarHBondContact O-N 3.04Å; L88-V92 WeakPolarHBondContact O-CG2 3.36Å; L88-V92 PolarHBondContact O-N 2.88Å
89R90.1Very high87.1Confident174 Ų174100.7 Ų100.766%0.65749%0.49SS*.Hα-helixtrans-60.4-44.6174.1-73.6170.6-176.2-98.33.1111.2I85 Q86 V92 Q93I85-R89 VanDerWaalsContact O-CG 3.27Å; I85-R89 WeakPolarHBondContact O-CG 3.47Å; I85-R89 PolarHBondContact O-N 2.98Å; Q86-R89 PolarHBondContact O-N 2.7Å; R89-V92 PolarHBondContact O-N 2.65Å; R89-Q93 WeakPolarHBondContact O-CB 3.46Å; R89-Q93 PolarHBondContact O-N 2.92Å
90W87.2Confident86.5Confident181 Ų181102.6 Ų102.669%0.68649%0.494SS*.Hα-helixtrans-62.1-43.6177-174.387.3000111.7Q86 A87 L88 Q93 N94Q86-W90 WeakPolarHBondContact O-CB 3.36Å; Q86-W90 PolarHBondContact O-N 3.27Å; A87-W90 PolarHBondContact O-N 3.27Å; L88-W90 VanDerWaalsContact C-N 3.34Å; L88-W90 PolarHBondContact O-N 3.03Å; W90-Q93 PolarHBondContact O-N 2.87Å; W90-N94 VanDerWaalsContact CH2-ND2 3.26Å; W90-N94 WeakPolarHBondContact CH2-ND2 3.43Å; W90-N94 WeakPolarHBondContact CZ2-ND2 3.35Å; W90-N94 VanDerWaalsContact CZ3-ND2 3.34Å; W90-N94 WeakPolarHBondContact CZ3-ND2 3.45Å; W90-N94 PolarHBondContact NE1-ND2 3.36Å; W90-N94 WeakPolarHBondContact O-CB 3.18Å; W90-N94 PolarHBondContact O-N 2.81Å; W90-N94 PolarHBondContact O-ND2 2.96Å
91A80.2Confident85.7Confident43 Ų43104.3 Ų104.336%0.35550%0.496SS..Hα-helixtrans-63.1-46.5176.900000112.3A87 L88 Q93 N94 D95A87-A91 WeakPolarHBondContact O-CB 3.27Å; A87-A91 PolarHBondContact O-N 2.66Å; L88-A91 PolarHBondContact O-N 3.04Å; A91-Q93 VanDerWaalsContact C-N 3.34Å; A91-Q93 PolarHBondContact O-N 3.34Å; A91-N94 PolarHBondContact O-N 3.48Å; A91-D95 WeakPolarHBondContact O-CB 3.44Å; A91-D95 PolarHBondContact O-N 2.91Å
92V84.8Confident85Confident82 Ų82102.4 Ų102.450%0.49749%0.494SS..Hα-helixtrans-62.8-41.9178.2171.70000111.4L88 R89 D95 Q96L88-V92 WeakPolarHBondContact O-CG2 3.36Å; L88-V92 PolarHBondContact O-N 2.88Å; R89-V92 PolarHBondContact O-N 2.65Å; V92-D95 PolarHBondContact O-N 3.48Å; V92-Q96 WeakPolarHBondContact O-CB 3.33Å; V92-Q96 WeakPolarHBondContact O-CG 3.45Å; V92-Q96 PolarHBondContact O-N 3.25Å
93Q84.8Confident84.3Confident118 Ų118103.5 Ų103.555%0.55150%0.501SS*.Hα-helixtrans-69.3-38.7-179.8-169161.516.100112R89 W90 A91 Q96 N97R89-Q93 WeakPolarHBondContact O-CB 3.46Å; R89-Q93 PolarHBondContact O-N 2.92Å; W90-Q93 PolarHBondContact O-N 2.87Å; A91-Q93 VanDerWaalsContact C-N 3.34Å; A91-Q93 PolarHBondContact O-N 3.34Å; Q93-Q96 PolarHBondContact O-N 3.48Å; Q93-N97 WeakPolarHBondContact O-CB 3.1Å; Q93-N97 PolarHBondContact O-N 3.3Å; Q93-N97 PolarHBondContact O-ND2 2.82Å
94N81.6Confident83.6Confident59 Ų59101.8 Ų101.832%0.31649%0.492SS..Hα-helixtrans-68.6-37.4174.3-74.7-38.8000113W90 A91 N97 A98W90-N94 VanDerWaalsContact CH2-ND2 3.26Å; W90-N94 WeakPolarHBondContact CH2-ND2 3.43Å; W90-N94 WeakPolarHBondContact CZ2-ND2 3.35Å; W90-N94 VanDerWaalsContact CZ3-ND2 3.34Å; W90-N94 WeakPolarHBondContact CZ3-ND2 3.45Å; W90-N94 PolarHBondContact NE1-ND2 3.36Å; W90-N94 WeakPolarHBondContact O-CB 3.18Å; W90-N94 PolarHBondContact O-N 2.81Å; W90-N94 PolarHBondContact O-ND2 2.96Å; A91-N94 PolarHBondContact O-N 3.48Å; N94-N97 PolarHBondContact O-N 2.99Å; N94-A98 VanDerWaalsContact O-CB 3.29Å; N94-A98 WeakPolarHBondContact O-CB 3.42Å; N94-A98 PolarHBondContact O-N 2.83Å
95D81Confident82.7Confident84 Ų84101 Ų10145%0.44949%0.488SS..Hα-helixtrans-63-44.2173.4-102.230.9000111.5A91 V92 A98 R99A91-D95 WeakPolarHBondContact O-CB 3.44Å; A91-D95 PolarHBondContact O-N 2.91Å; V92-D95 PolarHBondContact O-N 3.48Å; D95-A98 PolarHBondContact O-N 2.87Å; D95-R99 WeakPolarHBondContact O-CB 3.15Å; D95-R99 WeakPolarHBondContact O-CG 3.46Å; D95-R99 PolarHBondContact O-N 3.4Å; D95-R99 IonicContact OD2-CZ 3.41Å; D95-R99 IonicContact OD2-NH2 3.19Å; D95-R99 PolarHBondContact OD2-NH2 2.82Å
96Q81.2Confident82Confident116 Ų116104.2 Ų104.254%0.54250%0.502SS..Hα-helixtrans-63.6-42.1175.4-78.8170.2-14.400111.5V92 Q93 R99 Y100V92-Q96 WeakPolarHBondContact O-CB 3.33Å; V92-Q96 WeakPolarHBondContact O-CG 3.45Å; V92-Q96 PolarHBondContact O-N 3.25Å; Q93-Q96 PolarHBondContact O-N 3.48Å; Q96-R99 PolarHBondContact O-N 2.96Å; Q96-Y100 VanDerWaalsContact O-CB 3.22Å; Q96-Y100 WeakPolarHBondContact O-CB 3.43Å; Q96-Y100 PolarHBondContact O-N 3.5Å
97N80.4Confident81.2Confident71 Ų71105.3 Ų105.338%0.3851%0.514SS..Hα-helixtrans-64.1-46.5175.5-71.7-19.1000111.3Q93 N94 R99 Y100 Y101Q93-N97 WeakPolarHBondContact O-CB 3.1Å; Q93-N97 PolarHBondContact O-N 3.3Å; Q93-N97 PolarHBondContact O-ND2 2.82Å; N94-N97 PolarHBondContact O-N 2.99Å; N97-R99 VanDerWaalsContact C-N 3.33Å; N97-R99 PolarHBondContact O-N 3.1Å; N97-Y100 WeakPolarHBondContact O-CB 3.43Å; N97-Y100 PolarHBondContact O-N 3.39Å; N97-Y100 VanDerWaalsContact O-N 3.16Å; N97-Y101 WeakPolarHBondContact O-CD2 3.3Å; N97-Y101 PolarHBondContact O-N 3.07Å
98A79.3Confident80.5Confident61 Ų61105.4 Ų105.450%0.50452%0.516SS..Hα-helixtrans-61.5-41.2177.900000112.1N94 D95 Y101 H102N94-A98 VanDerWaalsContact O-CB 3.29Å; N94-A98 WeakPolarHBondContact O-CB 3.42Å; N94-A98 PolarHBondContact O-N 2.83Å; D95-A98 PolarHBondContact O-N 2.87Å; A98-Y101 PolarHBondContact O-N 3.44Å; A98-H102 WeakPolarHBondContact O-CB 3.41Å; A98-H102 PolarHBondContact O-N 3.45Å
99R79.6Confident79.2Confident155 Ų155103.4 Ų103.459%0.58552%0.52SS*.Hα-helixtrans-64.7-43.4173-69.8171.7-151.8-172.48111.2D95 Q96 N97 Y101 H102 I103D95-R99 WeakPolarHBondContact O-CB 3.15Å; D95-R99 WeakPolarHBondContact O-CG 3.46Å; D95-R99 PolarHBondContact O-N 3.4Å; D95-R99 IonicContact OD2-CZ 3.41Å; D95-R99 IonicContact OD2-NH2 3.19Å; D95-R99 PolarHBondContact OD2-NH2 2.82Å; Q96-R99 PolarHBondContact O-N 2.96Å; N97-R99 VanDerWaalsContact C-N 3.33Å; N97-R99 PolarHBondContact O-N 3.1Å; R99-Y101 PolarHBondContact O-N 3.18Å; R99-H102 PolarHBondContact O-N 2.95Å; R99-I103 WeakPolarHBondContact O-CB 3.37Å; R99-I103 WeakPolarHBondContact O-CD1 3.32Å; R99-I103 WeakPolarHBondContact O-CG1 3.43Å; R99-I103 PolarHBondContact O-N 2.86Å
100Y79.4Confident77.9Confident135 Ų135100.1 Ų100.153%0.52951%0.514SS..Hα-helixtrans-61.5-42.4176.5179.2-105.9000111.9Q96 N97 I103 L104Q96-Y100 VanDerWaalsContact O-CB 3.22Å; Q96-Y100 WeakPolarHBondContact O-CB 3.43Å; Q96-Y100 PolarHBondContact O-N 3.5Å; N97-Y100 WeakPolarHBondContact O-CB 3.43Å; N97-Y100 PolarHBondContact O-N 3.39Å; N97-Y100 VanDerWaalsContact O-N 3.16Å; Y100-I103 PolarHBondContact O-N 3.02Å; Y100-L104 HydrophobicContact CD1-CD1 3.72Å; Y100-L104 HydrophobicContact CD1-CG 4.41Å; Y100-L104 HydrophobicContact CE1-CD1 3.21Å; Y100-L104 HydrophobicContact CE1-CG 4.06Å; Y100-L104 HydrophobicContact CE2-CD1 4.27Å; Y100-L104 HydrophobicContact CE2-CG 4.26Å; Y100-L104 HydrophobicContact CG-CD1 4.43Å; Y100-L104 WeakPolarHBondContact O-CB 3.43Å; Y100-L104 WeakPolarHBondContact O-CG 3.43Å; Y100-L104 PolarHBondContact O-N 3.09Å
101Y74.8Confident76.6Confident161 Ų16195.7 Ų95.763%0.63151%0.508SS*.Hα-helixtrans-64-42.4173.5-82.1-71.5000112.3N97 A98 R99 L104 Q105N97-Y101 WeakPolarHBondContact O-CD2 3.3Å; N97-Y101 PolarHBondContact O-N 3.07Å; A98-Y101 PolarHBondContact O-N 3.44Å; R99-Y101 PolarHBondContact O-N 3.18Å; Y101-L104 PolarHBondContact O-N 2.97Å; Y101-Q105 WeakPolarHBondContact O-CB 3.37Å; Y101-Q105 PolarHBondContact O-N 3.21Å
102H77Confident75.8Confident112 Ų11297.4 Ų97.452%0.51952%0.516SS..Hα-helixtrans-63.6-43.1175.3-170.2-73.8000111.8A98 R99 Q105 E106A98-H102 WeakPolarHBondContact O-CB 3.41Å; A98-H102 PolarHBondContact O-N 3.45Å; R99-H102 PolarHBondContact O-N 2.95Å; H102-Q105 PolarHBondContact O-N 3.06Å; H102-E106 IonicContact CE1-OE2 2.69Å; H102-E106 PolarHBondContact CE1-OE2 2.86Å; H102-E106 IonicContact ND1-OE2 3.44Å; H102-E106 PolarHBondContact ND1-OE2 2.8Å; H102-E106 VanDerWaalsContact O-CB 3.25Å; H102-E106 WeakPolarHBondContact O-CB 3.47Å; H102-E106 PolarHBondContact O-N 2.81Å
103I80.8Confident74.7Confident93 Ų93102.7 Ų102.748%0.47754%0.536SS..Hα-helixtrans-63.6-46.7176.8-68.6162.6000110.1R99 Y100 Q105 E106 V107R99-I103 WeakPolarHBondContact O-CB 3.37Å; R99-I103 WeakPolarHBondContact O-CD1 3.32Å; R99-I103 WeakPolarHBondContact O-CG1 3.43Å; R99-I103 PolarHBondContact O-N 2.86Å; Y100-I103 PolarHBondContact O-N 3.02Å; I103-Q105 VanDerWaalsContact C-N 3.27Å; I103-Q105 PolarHBondContact O-N 3.29Å; I103-E106 PolarHBondContact O-N 3.16Å; I103-V107 HydrophobicContact CG2-CG2 4.01Å; I103-V107 VanDerWaalsContact O-CB 3.26Å; I103-V107 WeakPolarHBondContact O-CB 3.44Å; I103-V107 WeakPolarHBondContact O-CG2 3.4Å; I103-V107 PolarHBondContact O-N 2.88Å
104L78.9Confident73.5Confident77 Ų77106 Ų10640%0.40354%0.543SS..Hα-helixtrans-59.1-40.9175.8-81.5174.4000111.9Y100 Y101 A108Y100-L104 HydrophobicContact CD1-CD1 3.72Å; Y100-L104 HydrophobicContact CD1-CG 4.41Å; Y100-L104 HydrophobicContact CE1-CD1 3.21Å; Y100-L104 HydrophobicContact CE1-CG 4.06Å; Y100-L104 HydrophobicContact CE2-CD1 4.27Å; Y100-L104 HydrophobicContact CE2-CG 4.26Å; Y100-L104 HydrophobicContact CG-CD1 4.43Å; Y100-L104 WeakPolarHBondContact O-CB 3.43Å; Y100-L104 WeakPolarHBondContact O-CG 3.43Å; Y100-L104 PolarHBondContact O-N 3.09Å; Y101-L104 PolarHBondContact O-N 2.97Å; L104-A108 WeakPolarHBondContact O-CB 3.34Å; L104-A108 PolarHBondContact O-N 2.98Å
105Q75.8Confident72.8Confident70 Ų70108.4 Ų108.433%0.32756%0.556SS.*Hα-helixtrans-67.7-39.2178.8-173-171.7-31.800112.1Y101 H102 I103 G109 I110 P112Y101-Q105 WeakPolarHBondContact O-CB 3.37Å; Y101-Q105 PolarHBondContact O-N 3.21Å; H102-Q105 PolarHBondContact O-N 3.06Å; I103-Q105 VanDerWaalsContact C-N 3.27Å; I103-Q105 PolarHBondContact O-N 3.29Å; Q105-G109 PolarHBondContact O-N 3.33Å; Q105-G109 VanDerWaalsContact O-N 3.17Å; Q105-I110 WeakPolarHBondContact CG-O 3.15Å; Q105-I110 PolarHBondContact O-N 3.36Å; Q105-I110 VanDerWaalsContact O-N 3.12Å; Q105-P112 VanDerWaalsContact NE2-CD 3.27Å
106E77.7Confident72.1Confident137 Ų137108.4 Ų108.464%0.6456%0.562SS**Hα-helixtrans-71.7-40.3177-166167-171.500111.9H102 I103 G109H102-E106 IonicContact CE1-OE2 2.69Å; H102-E106 PolarHBondContact CE1-OE2 2.86Å; H102-E106 IonicContact ND1-OE2 3.44Å; H102-E106 PolarHBondContact ND1-OE2 2.8Å; H102-E106 VanDerWaalsContact O-CB 3.25Å; H102-E106 WeakPolarHBondContact O-CB 3.47Å; H102-E106 PolarHBondContact O-N 2.81Å; I103-E106 PolarHBondContact O-N 3.16Å; E106-G109 PolarHBondContact O-N 3.49Å
107V75.2Confident71.7Confident119 Ų119110.6 Ų110.672%0.72157%0.57SS**Hα-helixtrans-70.9-38.5176.3171.60000111.7I103 G109I103-V107 HydrophobicContact CG2-CG2 4.01Å; I103-V107 VanDerWaalsContact O-CB 3.26Å; I103-V107 WeakPolarHBondContact O-CB 3.44Å; I103-V107 WeakPolarHBondContact O-CG2 3.4Å; I103-V107 PolarHBondContact O-N 2.88Å; V107-G109 PolarHBondContact O-N 3.35Å
108A72Confident71.5Confident62 Ų62109 Ų10951%0.51257%0.565SS.*THydrogen-bonded Turntrans-75-8.8174.700000112.7L104 I110L104-A108 WeakPolarHBondContact O-CB 3.34Å; L104-A108 PolarHBondContact O-N 2.98Å; A108-I110 HydrophobicContact CB-CD1 3.86Å; A108-I110 HydrophobicContact CB-CG1 3.85Å; A108-I110 PolarHBondContact O-N 2.95Å; A108-I110 VanDerWaalsContact O-N 3.16Å
109G61.4Low71.7Confident61 Ų61111.7 Ų111.763%0.62957%0.567SS**THydrogen-bonded Turntrans62.218.2-177.200000113.6Q105 E106 V107 P111Q105-G109 PolarHBondContact O-N 3.33Å; Q105-G109 VanDerWaalsContact O-N 3.17Å; E106-G109 PolarHBondContact O-N 3.49Å; V107-G109 PolarHBondContact O-N 3.35Å; G109-P111 WeakPolarHBondContact O-CD 3.47Å
110I62.2Low72.2Confident105 Ų105108.4 Ų108.454%0.53856%0.561SS.*  trans-84.6115.4-178.3-59.1174.3000106.9Q105 A108Q105-I110 WeakPolarHBondContact CG-O 3.15Å; Q105-I110 PolarHBondContact O-N 3.36Å; Q105-I110 VanDerWaalsContact O-N 3.12Å; A108-I110 HydrophobicContact CB-CD1 3.86Å; A108-I110 HydrophobicContact CB-CG1 3.85Å; A108-I110 PolarHBondContact O-N 2.95Å; A108-I110 VanDerWaalsContact O-N 3.16Å
111P61.1Low72.7Confident88 Ų88108.3 Ų108.357%0.57156%0.563SS**  trans-59.3147.7175.924.5-31.9000109.7G109 E113G109-P111 WeakPolarHBondContact O-CD 3.47Å; P111-E113 PolarHBondContact O-N 3.33Å; P111-E113 VanDerWaalsContact O-N 3.14Å
112P63.7Low73.6Confident80 Ų80105.1 Ų105.152%0.51956%0.556SS.*  trans-51.6127.3177.617.9-27.8000108.4Q105 R114Q105-P112 VanDerWaalsContact NE2-CD 3.27Å; P112-R114 VanDerWaalsContact C-N 3.27Å; P112-R114 WeakPolarHBondContact O-CG 3.31Å; P112-R114 PolarHBondContact O-N 3.18Å
113E60.3Low74.4Confident193 Ų193103.8 Ų103.890%0.90255%0.552SS**  trans-46.993.4-175.1-78.1-167159.900109.8P111 N115P111-E113 PolarHBondContact O-N 3.33Å; P111-E113 VanDerWaalsContact O-N 3.14Å; E113-N115 VanDerWaalsContact C-N 3.35Å; E113-N115 PolarHBondContact O-N 2.9Å
114R59.7Low75.1Confident188 Ų188104.9 Ų104.971%0.70956%0.555SS**  trans-73.9102.1169.3-67.5-175.2-175160.32103.2P112 S116P112-R114 VanDerWaalsContact C-N 3.27Å; P112-R114 WeakPolarHBondContact O-CG 3.31Å; P112-R114 PolarHBondContact O-N 3.18Å; R114-S116 PolarHBondContact O-N 3.32Å
115N66.6Low75.9Confident109 Ų109106.1 Ų106.158%0.58356%0.562SS**  trans-4.1105.2174.756.90.6000113.5E113 K117 S118E113-N115 VanDerWaalsContact C-N 3.35Å; E113-N115 PolarHBondContact O-N 2.9Å; N115-K117 PolarHBondContact O-N 2.88Å; N115-S118 PolarHBondContact O-N 2.89Å; N115-S118 PolarHBondContact O-OG 2.93Å; N115-S118 VanDerWaalsContact O-OG 3.09Å; N115-S118 WeakPolarHBondContact OD1-CB 3.41Å; N115-S118 PolarHBondContact OD1-OG 2.77Å
116S67.4Low77Confident84 Ų84107.8 Ų107.859%0.58757%0.57SS**Hα-helixtrans-38.6-38.2-176.651.60000114.7R114 S118 Q119 D120R114-S116 PolarHBondContact O-N 3.32Å; S116-S118 VanDerWaalsContact C-N 3.26Å; S116-S118 PolarHBondContact O-N 3.41Å; S116-Q119 PolarHBondContact O-N 2.95Å; S116-Q119 VanDerWaalsContact O-N 3.17Å; S116-D120 PolarHBondContact O-N 3.14Å
117K71.8Confident77.9Confident161 Ų161105.6 Ų105.670%0.757%0.566SS**Hα-helixtrans-55.7-26.5174.5-61.9-177.9-179.6178.20115.8N115 K121N115-K117 PolarHBondContact O-N 2.88Å; K117-K121 WeakPolarHBondContact O-CD 3.41Å; K117-K121 VanDerWaalsContact O-CG 3.28Å; K117-K121 WeakPolarHBondContact O-CG 3.2Å
118S78Confident79Confident38 Ų38105.6 Ų105.627%0.26656%0.558SS.*Hα-helixtrans-85.3-36.8176.671.30000112.1N115 S116 K121 I122N115-S118 PolarHBondContact O-N 2.89Å; N115-S118 PolarHBondContact O-OG 2.93Å; N115-S118 VanDerWaalsContact O-OG 3.09Å; N115-S118 WeakPolarHBondContact OD1-CB 3.41Å; N115-S118 PolarHBondContact OD1-OG 2.77Å; S116-S118 VanDerWaalsContact C-N 3.26Å; S116-S118 PolarHBondContact O-N 3.41Å; S118-K121 PolarHBondContact O-N 2.97Å; S118-I122 WeakPolarHBondContact O-CG1 3.26Å; S118-I122 PolarHBondContact O-N 2.93Å; S118-I122 VanDerWaalsContact O-N 3.09Å
119Q83.4Confident80.2Confident117 Ų117109.5 Ų109.555%0.54756%0.564SS.*Hα-helixtrans-65.3-43.1176.5-172.6169.2-9.200111S116 K121 I122 L123S116-Q119 PolarHBondContact O-N 2.95Å; S116-Q119 VanDerWaalsContact O-N 3.17Å; Q119-K121 VanDerWaalsContact C-N 3.31Å; Q119-K121 PolarHBondContact O-N 3.46Å; Q119-I122 PolarHBondContact O-N 2.85Å; Q119-L123 HydrophobicContact CG-CD1 4.3Å; Q119-L123 WeakPolarHBondContact O-CG 3.4Å; Q119-L123 PolarHBondContact O-N 3.07Å
120D89Confident82Confident87 Ų87111.9 Ų111.947%0.46556%0.561SS.*Hα-helixtrans-60-40.4175.7-68.7-20.8000112.2S116 L123 Q124S116-D120 PolarHBondContact O-N 3.14Å; D120-L123 PolarHBondContact O-N 2.83Å; D120-Q124 WeakPolarHBondContact O-CB 3.45Å; D120-Q124 VanDerWaalsContact O-CG 3.22Å; D120-Q124 WeakPolarHBondContact O-CG 3.49Å; D120-Q124 PolarHBondContact O-N 3.32Å
121K90.8Very high83.7Confident132 Ų132110 Ų11057%0.57455%0.554SS**Hα-helixtrans-66.1-39.2176.9-72.8176-177.5-173.10112.3K117 S118 Q119 N125K117-K121 WeakPolarHBondContact O-CD 3.41Å; K117-K121 VanDerWaalsContact O-CG 3.28Å; K117-K121 WeakPolarHBondContact O-CG 3.2Å; S118-K121 PolarHBondContact O-N 2.97Å; Q119-K121 VanDerWaalsContact C-N 3.31Å; Q119-K121 PolarHBondContact O-N 3.46Å; K121-N125 WeakPolarHBondContact O-CB 3.43Å; K121-N125 PolarHBondContact O-N 2.93Å; K121-N125 PolarHBondContact O-ND2 2.83Å
122I92.8Very high85.5Confident95 Ų95111.3 Ų111.349%0.48756%0.556SS.*Hα-helixtrans-64.8-45.4176.8-67.9164.8000110S118 Q119 N125 Q126S118-I122 WeakPolarHBondContact O-CG1 3.26Å; S118-I122 PolarHBondContact O-N 2.93Å; S118-I122 VanDerWaalsContact O-N 3.09Å; Q119-I122 PolarHBondContact O-N 2.85Å; I122-N125 PolarHBondContact O-N 3.18Å; I122-Q126 WeakPolarHBondContact O-CG 3.07Å; I122-Q126 PolarHBondContact O-N 2.68Å
123L94.4Very high87.1Confident83 Ų83112.1 Ų112.144%0.43555%0.553SS.*Hα-helixtrans-64.3-43.4177.6-69.3172.5000111.6Q119 D120 N125 Q126 V127Q119-L123 HydrophobicContact CG-CD1 4.3Å; Q119-L123 WeakPolarHBondContact O-CG 3.4Å; Q119-L123 PolarHBondContact O-N 3.07Å; D120-L123 PolarHBondContact O-N 2.83Å; L123-N125 VanDerWaalsContact C-N 3.33Å; L123-N125 PolarHBondContact O-N 3.09Å; L123-Q126 PolarHBondContact O-N 3.07Å; L123-Q126 VanDerWaalsContact O-N 3.15Å; L123-V127 WeakPolarHBondContact O-CG2 3.43Å; L123-V127 PolarHBondContact O-N 2.93Å
124Q95.1Very high88.9Confident117 Ų117108.5 Ų108.555%0.54754%0.539SS..Hα-helixtrans-58-45.1174.5-77.7174.30.700111.7D120 Q126 V127 Q128D120-Q124 WeakPolarHBondContact O-CB 3.45Å; D120-Q124 VanDerWaalsContact O-CG 3.22Å; D120-Q124 WeakPolarHBondContact O-CG 3.49Å; D120-Q124 PolarHBondContact O-N 3.32Å; Q124-Q126 VanDerWaalsContact C-N 3.34Å; Q124-Q126 PolarHBondContact O-N 3.05Å; Q124-V127 PolarHBondContact O-N 3.29Å; Q124-Q128 WeakPolarHBondContact O-CB 3.37Å; Q124-Q128 VanDerWaalsContact O-CG 3.28Å; Q124-Q128 WeakPolarHBondContact O-CG 3.16Å; Q124-Q128 PolarHBondContact O-N 3.26Å
125N96.4Very high90.8Very high102 Ų102105.2 Ų105.255%0.54553%0.53SS..Hα-helixtrans-63.1-39.3176.3-72.1-26.2000112.1K121 I122 L123 K129K121-N125 WeakPolarHBondContact O-CB 3.43Å; K121-N125 PolarHBondContact O-N 2.93Å; K121-N125 PolarHBondContact O-ND2 2.83Å; I122-N125 PolarHBondContact O-N 3.18Å; L123-N125 VanDerWaalsContact C-N 3.33Å; L123-N125 PolarHBondContact O-N 3.09Å; N125-K129 WeakPolarHBondContact O-CB 3.47Å; N125-K129 PolarHBondContact O-N 3.36Å
126Q97.3Very high92.3Very high106 Ų106102.7 Ų102.750%0.49553%0.525SS..Hα-helixtrans-66.1-44.8176.3-74.8178.4-9.600112.1I122 L123 Q124 K129 L130I122-Q126 WeakPolarHBondContact O-CG 3.07Å; I122-Q126 PolarHBondContact O-N 2.68Å; L123-Q126 PolarHBondContact O-N 3.07Å; L123-Q126 VanDerWaalsContact O-N 3.15Å; Q124-Q126 VanDerWaalsContact C-N 3.34Å; Q124-Q126 PolarHBondContact O-N 3.05Å; Q126-K129 PolarHBondContact O-N 3.42Å; Q126-L130 WeakPolarHBondContact O-CG 3.46Å; Q126-L130 PolarHBondContact O-N 2.9Å
127V97.7Very high93.7Very high91 Ų91104.7 Ų104.755%0.55253%0.525SS*.Hα-helixtrans-62.8-44.6177.1171.60000110.5L123 Q124 K129 L130 T131L123-V127 WeakPolarHBondContact O-CG2 3.43Å; L123-V127 PolarHBondContact O-N 2.93Å; Q124-V127 PolarHBondContact O-N 3.29Å; V127-K129 VanDerWaalsContact C-N 3.34Å; V127-K129 PolarHBondContact O-N 3.3Å; V127-L130 PolarHBondContact O-N 3.33Å; V127-T131 VanDerWaalsContact O-CB 3.31Å; V127-T131 WeakPolarHBondContact O-CB 3.45Å; V127-T131 PolarHBondContact O-N 2.71Å; V127-T131 PolarHBondContact O-OG1 2.8Å
128Q97.9Very high95Very high119 Ų119104.4 Ų104.456%0.55652%0.524SS*.Hα-helixtrans-60.9-43.5175.9-74.8177.4-3.700111.6Q124 T131 L132Q124-Q128 WeakPolarHBondContact O-CB 3.37Å; Q124-Q128 VanDerWaalsContact O-CG 3.28Å; Q124-Q128 WeakPolarHBondContact O-CG 3.16Å; Q124-Q128 PolarHBondContact O-N 3.26Å; Q128-T131 WeakPolarHBondContact O-CB 3.26Å; Q128-T131 PolarHBondContact O-N 2.58Å; Q128-L132 WeakPolarHBondContact O-CG 3.39Å; Q128-L132 PolarHBondContact O-N 3.43Å
129K98.1Very high96Very high144 Ų144109 Ų10963%0.62654%0.541SS*.Hα-helixtrans-59.6-50.8176.2-176.3-175.9176-172.30111.6N125 Q126 V127 T131 L132 E133N125-K129 WeakPolarHBondContact O-CB 3.47Å; N125-K129 PolarHBondContact O-N 3.36Å; Q126-K129 PolarHBondContact O-N 3.42Å; V127-K129 VanDerWaalsContact C-N 3.34Å; V127-K129 PolarHBondContact O-N 3.3Å; K129-T131 VanDerWaalsContact C-N 3.27Å; K129-T131 PolarHBondContact O-N 3.22Å; K129-L132 PolarHBondContact O-N 3.25Å; K129-E133 PolarHBondContact O-N 2.75Å
130L98.3Very high96.7Very high110 Ų110108.3 Ų108.358%0.57654%0.538SS*.Hα-helixtrans-63.5-35.3178.6-70175.3000111.9Q126 V127 L132 E133 L134Q126-L130 WeakPolarHBondContact O-CG 3.46Å; Q126-L130 PolarHBondContact O-N 2.9Å; V127-L130 PolarHBondContact O-N 3.33Å; L130-L132 VanDerWaalsContact C-N 3.35Å; L130-E133 PolarHBondContact O-N 3.3Å; L130-L134 VanDerWaalsContact O-CB 3.27Å; L130-L134 WeakPolarHBondContact O-CB 3.44Å; L130-L134 PolarHBondContact O-N 2.89Å
131T97.9Very high97.1Very high65 Ų65106.9 Ų106.940%0.39954%0.537SS..Hα-helixtrans-64.3-41.1176.2-57.60000111.3V127 Q128 K129 K135V127-T131 VanDerWaalsContact O-CB 3.31Å; V127-T131 WeakPolarHBondContact O-CB 3.45Å; V127-T131 PolarHBondContact O-N 2.71Å; V127-T131 PolarHBondContact O-OG1 2.8Å; Q128-T131 WeakPolarHBondContact O-CB 3.26Å; Q128-T131 PolarHBondContact O-N 2.58Å; K129-T131 VanDerWaalsContact C-N 3.27Å; K129-T131 PolarHBondContact O-N 3.22Å; T131-K135 WeakPolarHBondContact O-CG 3.25Å; T131-K135 PolarHBondContact O-N 3.37Å; T131-K135 VanDerWaalsContact O-N 3.09Å
132L98.3Very high97.4Very high117 Ų117104.6 Ų104.661%0.61353%0.529SS*.Hα-helixtrans-68.3-41.5175.4-69.3174.6000111.7Q128 K129 L130 K135 A136Q128-L132 WeakPolarHBondContact O-CG 3.39Å; Q128-L132 PolarHBondContact O-N 3.43Å; K129-L132 PolarHBondContact O-N 3.25Å; L130-L132 VanDerWaalsContact C-N 3.35Å; L132-K135 PolarHBondContact O-N 2.86Å; L132-A136 PolarHBondContact O-N 3.11Å
133E98.1Very high97.7Very high96 Ų96105 Ų10545%0.44953%0.531SS..Hα-helixtrans-63.4-42.3177.3-172.3167.2-173.100111.9K129 L130 K135 A136 Q137K129-E133 PolarHBondContact O-N 2.75Å; L130-E133 PolarHBondContact O-N 3.3Å; E133-K135 VanDerWaalsContact C-N 3.34Å; E133-K135 PolarHBondContact O-N 3.33Å; E133-A136 PolarHBondContact O-N 2.81Å; E133-Q137 WeakPolarHBondContact O-CG 3.3Å; E133-Q137 PolarHBondContact O-N 2.8Å
134L98.4Very high97.9Very high117 Ų117106 Ų10661%0.61353%0.534SS*.Hα-helixtrans-64.4-38175.4-173.7144.5000112L130 Q137 K138L130-L134 VanDerWaalsContact O-CB 3.27Å; L130-L134 WeakPolarHBondContact O-CB 3.44Å; L130-L134 PolarHBondContact O-N 2.89Å; L134-Q137 PolarHBondContact O-N 2.81Å; L134-K138 WeakPolarHBondContact O-CB 3.25Å; L134-K138 PolarHBondContact O-N 3.28Å
135K98.3Very high98Very high119 Ų119105.6 Ų105.652%0.51753%0.53SS..Hα-helixtrans-63.8-45.9173.6-76.9178.3179.5-175.40111.8T131 L132 E133 Q137 K138 E139T131-K135 WeakPolarHBondContact O-CG 3.25Å; T131-K135 PolarHBondContact O-N 3.37Å; T131-K135 VanDerWaalsContact O-N 3.09Å; L132-K135 PolarHBondContact O-N 2.86Å; E133-K135 VanDerWaalsContact C-N 3.34Å; E133-K135 PolarHBondContact O-N 3.33Å; K135-Q137 VanDerWaalsContact C-N 3.34Å; K135-Q137 PolarHBondContact O-N 3.43Å; K135-K138 WeakPolarHBondContact O-CB 3.39Å; K135-K138 PolarHBondContact O-N 3.43Å; K135-E139 WeakPolarHBondContact O-CG 3.41Å; K135-E139 PolarHBondContact O-N 3.35Å
136A98.3Very high98.1Very high57 Ų57105 Ų10547%0.47153%0.525SS..Hα-helixtrans-61.9-41.5177.400000112L132 E133 K138 E139 Q140L132-A136 PolarHBondContact O-N 3.11Å; E133-A136 PolarHBondContact O-N 2.81Å; A136-K138 VanDerWaalsContact C-N 3.35Å; A136-E139 PolarHBondContact O-N 3Å; A136-Q140 WeakPolarHBondContact O-CB 3.17Å; A136-Q140 PolarHBondContact O-N 3.31Å
137Q98Very high98.2Very high126 Ų126102.2 Ų102.259%0.58952%0.517SS*.Hα-helixtrans-64.2-39.3174.7-73.9-178.21.800112.3E133 L134 K135 Q140 A141E133-Q137 WeakPolarHBondContact O-CG 3.3Å; E133-Q137 PolarHBondContact O-N 2.8Å; L134-Q137 PolarHBondContact O-N 2.81Å; K135-Q137 VanDerWaalsContact C-N 3.34Å; K135-Q137 PolarHBondContact O-N 3.43Å; Q137-Q140 PolarHBondContact O-N 2.87Å; Q137-A141 WeakPolarHBondContact O-CB 3.29Å; Q137-A141 PolarHBondContact O-N 3.4Å
138K98.4Very high98.2Very high155 Ų155103.3 Ų103.367%0.67452%0.519SS*.Hα-helixtrans-63.7-43.6175.8-174.5-178.7177.3-177.20111.7L134 K135 A136 A141 Q142L134-K138 WeakPolarHBondContact O-CB 3.25Å; L134-K138 PolarHBondContact O-N 3.28Å; K135-K138 WeakPolarHBondContact O-CB 3.39Å; K135-K138 PolarHBondContact O-N 3.43Å; A136-K138 VanDerWaalsContact C-N 3.35Å; K138-A141 PolarHBondContact O-N 2.88Å; K138-Q142 WeakPolarHBondContact O-CB 3.48Å; K138-Q142 PolarHBondContact O-N 2.9Å
139E98.3Very high98.2Very high135 Ų135102.1 Ų102.163%0.63151%0.513SS*.Hα-helixtrans-63.5-42.7175.9-73.1174.8-174.500111.5K135 A136 Q142 L143K135-E139 WeakPolarHBondContact O-CG 3.41Å; K135-E139 PolarHBondContact O-N 3.35Å; A136-E139 PolarHBondContact O-N 3Å; E139-Q142 WeakPolarHBondContact O-CB 3.14Å; E139-Q142 PolarHBondContact O-N 2.88Å; E139-L143 WeakPolarHBondContact O-CG 3.27Å; E139-L143 PolarHBondContact O-N 3.43Å
140Q98.1Very high98.2Very high102 Ų102100.6 Ų100.648%0.47751%0.508SS..Hα-helixtrans-61-47.4175.4-179.660.627.600112A136 Q137 Q142 L143 E144A136-Q140 WeakPolarHBondContact O-CB 3.17Å; A136-Q140 PolarHBondContact O-N 3.31Å; Q137-Q140 PolarHBondContact O-N 2.87Å; Q140-Q142 VanDerWaalsContact C-N 3.26Å; Q140-Q142 PolarHBondContact O-N 2.84Å; Q140-L143 PolarHBondContact O-N 3.34Å; Q140-E144 PolarHBondContact NE2-OE1 3.18Å; Q140-E144 WeakPolarHBondContact O-CG 3.18Å; Q140-E144 PolarHBondContact O-N 2.86Å
141A97.4Very high98.2Very high56 Ų56100.5 Ų100.546%0.46350%0.503SS..Hα-helixtrans-62.8-34.7177.600000112.1Q137 K138 E144 K145Q137-A141 WeakPolarHBondContact O-CB 3.29Å; Q137-A141 PolarHBondContact O-N 3.4Å; K138-A141 PolarHBondContact O-N 2.88Å; A141-E144 PolarHBondContact O-N 3.42Å; A141-K145 WeakPolarHBondContact O-CB 3.44Å; A141-K145 PolarHBondContact O-N 2.98Å
142Q98.4Very high98.3Very high85 Ų85102.5 Ų102.540%0.39751%0.511SS..Hα-helixtrans-66.1-44.1176.1-176.76326.500111.7K138 E139 Q140 E144 K145 E146K138-Q142 WeakPolarHBondContact O-CB 3.48Å; K138-Q142 PolarHBondContact O-N 2.9Å; E139-Q142 WeakPolarHBondContact O-CB 3.14Å; E139-Q142 PolarHBondContact O-N 2.88Å; Q140-Q142 VanDerWaalsContact C-N 3.26Å; Q140-Q142 PolarHBondContact O-N 2.84Å; Q142-E144 PolarHBondContact O-N 2.91Å; Q142-K145 WeakPolarHBondContact O-CB 3.41Å; Q142-K145 PolarHBondContact O-N 2.74Å; Q142-E146 PolarHBondContact NE2-OE1 3.27Å; Q142-E146 WeakPolarHBondContact O-CG 3.33Å; Q142-E146 PolarHBondContact O-N 3.37Å
143L98.4Very high98.3Very high102 Ų102102.9 Ų102.953%0.53451%0.51SS..Hα-helixtrans-64.4-39175.8-69.2173.3000112.3E139 Q140 E146 S147E139-L143 WeakPolarHBondContact O-CG 3.27Å; E139-L143 PolarHBondContact O-N 3.43Å; Q140-L143 PolarHBondContact O-N 3.34Å; L143-E146 PolarHBondContact O-N 2.77Å; L143-S147 WeakPolarHBondContact O-CB 3.46Å; L143-S147 PolarHBondContact O-N 2.82Å
144E98.2Very high98.3Very high106 Ų106103.6 Ų103.650%0.49551%0.513SS..Hα-helixtrans-64.9-41.2175.6-74.8175.3-166.200111.8Q140 A141 Q142 S147 L148Q140-E144 PolarHBondContact NE2-OE1 3.18Å; Q140-E144 WeakPolarHBondContact O-CG 3.18Å; Q140-E144 PolarHBondContact O-N 2.86Å; A141-E144 PolarHBondContact O-N 3.42Å; Q142-E144 PolarHBondContact O-N 2.91Å; E144-S147 PolarHBondContact O-N 3.47Å; E144-L148 WeakPolarHBondContact O-CB 3.22Å; E144-L148 VanDerWaalsContact O-CG 3.31Å; E144-L148 WeakPolarHBondContact O-CG 3.38Å; E144-L148 PolarHBondContact O-N 2.94Å
145K98.2Very high98.3Very high107 Ų107103 Ų10347%0.46551%0.51SS..Hα-helixtrans-58.3-50.8173.9178.8-173.2165.7-175.40111A141 Q142 S147 L148 E149A141-K145 WeakPolarHBondContact O-CB 3.44Å; A141-K145 PolarHBondContact O-N 2.98Å; Q142-K145 WeakPolarHBondContact O-CB 3.41Å; Q142-K145 PolarHBondContact O-N 2.74Å; K145-S147 VanDerWaalsContact C-N 3.32Å; K145-S147 PolarHBondContact O-N 2.78Å; K145-L148 PolarHBondContact O-N 2.79Å; K145-L148 VanDerWaalsContact O-N 3.13Å; K145-E149 WeakPolarHBondContact CE-OE1 3.34Å; K145-E149 HydrophobicContact CG-CG 4.48Å; K145-E149 IonicContact NZ-OE1 3.56Å; K145-E149 WeakPolarHBondContact O-CG 3.27Å; K145-E149 PolarHBondContact O-N 2.84Å
146E98.5Very high98.3Very high91 Ų91101.6 Ų101.643%0.42551%0.508SS..Hα-helixtrans-60.5-41.3179.5-72.6167.7-164.200111.6Q142 L143 L148 E149 E150Q142-E146 PolarHBondContact NE2-OE1 3.27Å; Q142-E146 WeakPolarHBondContact O-CG 3.33Å; Q142-E146 PolarHBondContact O-N 3.37Å; L143-E146 PolarHBondContact O-N 2.77Å; E146-L148 VanDerWaalsContact C-N 3.34Å; E146-L148 PolarHBondContact O-N 3Å; E146-E149 PolarHBondContact O-N 2.79Å; E146-E150 PolarHBondContact O-N 2.93Å
147S98.3Very high98.3Very high47 Ų47102.7 Ų102.733%0.32951%0.511SS..Hα-helixtrans-63.4-37.6175.1-177.90000113.1L143 E144 K145 K151L143-S147 WeakPolarHBondContact O-CB 3.46Å; L143-S147 PolarHBondContact O-N 2.82Å; E144-S147 PolarHBondContact O-N 3.47Å; K145-S147 VanDerWaalsContact C-N 3.32Å; K145-S147 PolarHBondContact O-N 2.78Å; S147-K151 WeakPolarHBondContact O-CG 3.33Å; S147-K151 PolarHBondContact O-N 3.05Å; S147-K151 VanDerWaalsContact O-N 3.09Å
148L98.4Very high98.4Very high114 Ų11498.8 Ų98.860%0.59750%0.501SS*.Hα-helixtrans-72.7-37.2176.8-71.8174.9000111.9E144 K145 E146 K151 L152E144-L148 WeakPolarHBondContact O-CB 3.22Å; E144-L148 VanDerWaalsContact O-CG 3.31Å; E144-L148 WeakPolarHBondContact O-CG 3.38Å; E144-L148 PolarHBondContact O-N 2.94Å; K145-L148 PolarHBondContact O-N 2.79Å; K145-L148 VanDerWaalsContact O-N 3.13Å; E146-L148 VanDerWaalsContact C-N 3.34Å; E146-L148 PolarHBondContact O-N 3Å; L148-K151 PolarHBondContact O-N 2.94Å; L148-L152 VanDerWaalsContact O-CB 3.29Å; L148-L152 WeakPolarHBondContact O-CB 3.48Å; L148-L152 PolarHBondContact O-N 3.36Å
149E98.4Very high98.4Very high93 Ų9396.4 Ų96.444%0.43549%0.494SS..Hα-helixtrans-63.2-43.1173.9-75.1178.1169.700111.1K145 E146 L152 Q153K145-E149 WeakPolarHBondContact CE-OE1 3.34Å; K145-E149 HydrophobicContact CG-CG 4.48Å; K145-E149 IonicContact NZ-OE1 3.56Å; K145-E149 WeakPolarHBondContact O-CG 3.27Å; K145-E149 PolarHBondContact O-N 2.84Å; E146-E149 PolarHBondContact O-N 2.79Å; E149-L152 PolarHBondContact O-N 3.5Å; E149-Q153 WeakPolarHBondContact O-CG 3.49Å; E149-Q153 PolarHBondContact O-N 3.39Å
150E98.4Very high98.4Very high113 Ų11396.1 Ų96.153%0.52849%0.493SS..Hα-helixtrans-61.3-46.9174.4-170.1-172.5172.300111.4E146 L152 Q153 Q154E146-E150 PolarHBondContact O-N 2.93Å; E150-L152 VanDerWaalsContact C-N 3.28Å; E150-L152 PolarHBondContact O-N 2.79Å; E150-Q153 PolarHBondContact O-N 3.03Å; E150-Q154 VanDerWaalsContact O-CG 3.32Å; E150-Q154 WeakPolarHBondContact O-CG 3.33Å; E150-Q154 PolarHBondContact O-N 3.11Å; E150-Q154 PolarHBondContact OE1-NE2 3.36Å
151K98.4Very high98.4Very high108 Ų10896.9 Ų96.947%0.4750%0.496SS..Hα-helixtrans-61.8-36.7175.6-77.2172.5-178.9163.40112.4S147 L148 Q154 N155S147-K151 WeakPolarHBondContact O-CG 3.33Å; S147-K151 PolarHBondContact O-N 3.05Å; S147-K151 VanDerWaalsContact O-N 3.09Å; L148-K151 PolarHBondContact O-N 2.94Å; K151-Q154 PolarHBondContact O-N 2.87Å; K151-N155 WeakPolarHBondContact O-CB 3.27Å; K151-N155 PolarHBondContact O-N 3.11Å; K151-N155 PolarHBondContact O-ND2 3.48Å
152L98.6Very high98.4Very high106 Ų10699.4 Ų99.456%0.55550%0.502SS*.Hα-helixtrans-66.4-44.9177.4-177.6137.5000110.5L148 E149 E150 Q154 N155 L156L148-L152 VanDerWaalsContact O-CB 3.29Å; L148-L152 WeakPolarHBondContact O-CB 3.48Å; L148-L152 PolarHBondContact O-N 3.36Å; E149-L152 PolarHBondContact O-N 3.5Å; E150-L152 VanDerWaalsContact C-N 3.28Å; E150-L152 PolarHBondContact O-N 2.79Å; L152-Q154 PolarHBondContact O-N 2.94Å; L152-N155 PolarHBondContact O-N 3.03Å; L152-L156 HydrophobicContact CD2-CD1 3.67Å; L152-L156 HydrophobicContact CD2-CG 4.34Å; L152-L156 WeakPolarHBondContact O-CG 2.96Å; L152-L156 PolarHBondContact O-N 3.16Å
153Q98.5Very high98.4Very high126 Ų126100.6 Ų100.659%0.58951%0.507SS*.Hα-helixtrans-60.3-44.4174.1-72.7178.5-7.100112E149 E150 N155 L156 C157E149-Q153 WeakPolarHBondContact O-CG 3.49Å; E149-Q153 PolarHBondContact O-N 3.39Å; E150-Q153 PolarHBondContact O-N 3.03Å; Q153-N155 VanDerWaalsContact C-N 3.34Å; Q153-N155 PolarHBondContact O-N 3.4Å; Q153-L156 PolarHBondContact O-N 3.25Å; Q153-C157 PolarHBondContact O-N 3.34Å; Q153-C157 PolarHBondContact O-SG 2.92Å; Q153-C157 VanDerWaalsContact O-SG 3.4Å
154Q98.6Very high98.4Very high110 Ų11098.2 Ų98.251%0.51450%0.502SS..Hα-helixtrans-58.4-44.8175.7-72.5173.13.100112E150 K151 L152 C157 A158E150-Q154 VanDerWaalsContact O-CG 3.32Å; E150-Q154 WeakPolarHBondContact O-CG 3.33Å; E150-Q154 PolarHBondContact O-N 3.11Å; E150-Q154 PolarHBondContact OE1-NE2 3.36Å; K151-Q154 PolarHBondContact O-N 2.87Å; L152-Q154 PolarHBondContact O-N 2.94Å; Q154-C157 PolarHBondContact O-N 2.71Å; Q154-A158 PolarHBondContact O-N 3.44Å
155N98.5Very high98.4Very high104 Ų10497.7 Ų97.756%0.55650%0.5SS*.Hα-helixtrans-66.2-38.6177.4-76.2-51.5000112.4K151 L152 Q153 A158 I159K151-N155 WeakPolarHBondContact O-CB 3.27Å; K151-N155 PolarHBondContact O-N 3.11Å; K151-N155 PolarHBondContact O-ND2 3.48Å; L152-N155 PolarHBondContact O-N 3.03Å; Q153-N155 VanDerWaalsContact C-N 3.34Å; Q153-N155 PolarHBondContact O-N 3.4Å; N155-A158 PolarHBondContact O-N 3.42Å; N155-I159 VanDerWaalsContact O-CG1 3.28Å; N155-I159 WeakPolarHBondContact O-CG1 3.39Å; N155-I159 PolarHBondContact O-N 3.37Å
156L98.8Very high98.4Very high91 Ų9197.9 Ų97.948%0.47651%0.505SS..Hα-helixtrans-61.6-45.3175.8-73.3174.6000111.4L152 Q153 A158 I159 Q160L152-L156 HydrophobicContact CD2-CD1 3.67Å; L152-L156 HydrophobicContact CD2-CG 4.34Å; L152-L156 WeakPolarHBondContact O-CG 2.96Å; L152-L156 PolarHBondContact O-N 3.16Å; Q153-L156 PolarHBondContact O-N 3.25Å; L156-A158 VanDerWaalsContact C-N 3.34Å; L156-A158 PolarHBondContact O-N 2.75Å; L156-I159 PolarHBondContact O-N 3.41Å; L156-Q160 WeakPolarHBondContact O-CG 3.47Å; L156-Q160 PolarHBondContact O-N 3.05Å
157C98.4Very high98.3Very high80 Ų8097.7 Ų97.754%0.54150%0.504SS..Hα-helixtrans-61.2-42.6174.9-670000112Q153 Q154 I159 Q160 Q161Q153-C157 PolarHBondContact O-N 3.34Å; Q153-C157 PolarHBondContact O-SG 2.92Å; Q153-C157 VanDerWaalsContact O-SG 3.4Å; Q154-C157 PolarHBondContact O-N 2.71Å; C157-I159 PolarHBondContact O-N 2.89Å; C157-Q160 PolarHBondContact O-N 3.41Å; C157-Q161 PolarHBondContact O-N 3.25Å
158A98.4Very high98.3Very high44 Ų4499.5 Ų99.536%0.36451%0.513SS..Hα-helixtrans-63.8-40.917800000112.4Q154 N155 L156 Q161 L162Q154-A158 PolarHBondContact O-N 3.44Å; N155-A158 PolarHBondContact O-N 3.42Å; L156-A158 VanDerWaalsContact C-N 3.34Å; L156-A158 PolarHBondContact O-N 2.75Å; A158-Q161 PolarHBondContact O-N 3.03Å; A158-L162 WeakPolarHBondContact O-CG 3.28Å; A158-L162 PolarHBondContact O-N 2.98Å
159I98.3Very high98.2Very high105 Ų105100.6 Ų100.654%0.53851%0.513SS..Hα-helixtrans-64-45176-70.2166.4000110.5N155 L156 C157 Q161 L162 E163N155-I159 VanDerWaalsContact O-CG1 3.28Å; N155-I159 WeakPolarHBondContact O-CG1 3.39Å; N155-I159 PolarHBondContact O-N 3.37Å; L156-I159 PolarHBondContact O-N 3.41Å; C157-I159 PolarHBondContact O-N 2.89Å; I159-Q161 VanDerWaalsContact C-N 3.3Å; I159-Q161 PolarHBondContact O-N 3.01Å; I159-L162 PolarHBondContact O-N 3.02Å; I159-E163 WeakPolarHBondContact O-CB 3.48Å; I159-E163 PolarHBondContact O-N 2.76Å
160Q98.4Very high98.1Very high128 Ų128101.2 Ų101.260%0.59852%0.517SS*.Hα-helixtrans-60.8-39.3176.8-73.3175.9-0.200112.1L156 C157 E163 A164L156-Q160 WeakPolarHBondContact O-CG 3.47Å; L156-Q160 PolarHBondContact O-N 3.05Å; C157-Q160 PolarHBondContact O-N 3.41Å; Q160-E163 PolarHBondContact O-N 3.3Å; Q160-A164 PolarHBondContact O-N 3.03Å
161Q98.4Very high98Very high119 Ų119102 Ų10256%0.55652%0.518SS*.Hα-helixtrans-62.6-48.6174.8-177-178-1600111.5C157 A158 I159 E163 A164 E165C157-Q161 PolarHBondContact O-N 3.25Å; A158-Q161 PolarHBondContact O-N 3.03Å; I159-Q161 VanDerWaalsContact C-N 3.3Å; I159-Q161 PolarHBondContact O-N 3.01Å; Q161-E163 VanDerWaalsContact C-N 3.27Å; Q161-E163 PolarHBondContact O-N 3.38Å; Q161-A164 PolarHBondContact O-N 2.92Å; Q161-E165 PolarHBondContact NE2-OE1 3.27Å; Q161-E165 WeakPolarHBondContact O-CG 3.31Å; Q161-E165 PolarHBondContact O-N 3.18Å
162L98.4Very high97.8Very high109 Ų10999.8 Ų99.857%0.57152%0.516SS*.Hα-helixtrans-62.5-35.6178.2-71.1173.2000112.2A158 I159 E165 L166A158-L162 WeakPolarHBondContact O-CG 3.28Å; A158-L162 PolarHBondContact O-N 2.98Å; I159-L162 PolarHBondContact O-N 3.02Å; L162-E165 PolarHBondContact O-N 3.15Å; L162-L166 WeakPolarHBondContact O-CB 3.13Å; L162-L166 PolarHBondContact O-N 2.8Å
163E98.2Very high97.5Very high110 Ų11097 Ų9751%0.51451%0.505SS..Hα-helixtrans-64.2-44.5174.3-172.8-179.5172.500111.3I159 Q160 Q161 E165 L166 Q167I159-E163 WeakPolarHBondContact O-CB 3.48Å; I159-E163 PolarHBondContact O-N 2.76Å; Q160-E163 PolarHBondContact O-N 3.3Å; Q161-E163 VanDerWaalsContact C-N 3.27Å; Q161-E163 PolarHBondContact O-N 3.38Å; E163-E165 VanDerWaalsContact C-N 3.34Å; E163-E165 PolarHBondContact O-N 2.82Å; E163-L166 PolarHBondContact O-N 2.86Å; E163-Q167 WeakPolarHBondContact O-CG 3.26Å; E163-Q167 PolarHBondContact O-N 2.77Å; E163-Q167 PolarHBondContact OE1-NE2 3Å
164A97.6Very high97.2Very high52 Ų5295.9 Ų95.943%0.4350%0.503SS..Hα-helixtrans-62.7-41175.300000111.8Q160 Q161 Q167 T168Q160-A164 PolarHBondContact O-N 3.03Å; Q161-A164 PolarHBondContact O-N 2.92Å; A164-Q167 PolarHBondContact O-N 3.31Å; A164-T168 WeakPolarHBondContact O-CB 3.11Å; A164-T168 VanDerWaalsContact O-CG2 3.28Å; A164-T168 WeakPolarHBondContact O-CG2 3.3Å; A164-T168 PolarHBondContact O-N 3.17Å; A164-T168 PolarHBondContact O-OG1 3.36Å
165E98Very high96.8Very high95 Ų9595.8 Ų95.844%0.44451%0.505SS..Hα-helixtrans-62.8-41.2174.3-73.5177.8-163.300111.8Q161 L162 E163 T168 F169Q161-E165 PolarHBondContact NE2-OE1 3.27Å; Q161-E165 WeakPolarHBondContact O-CG 3.31Å; Q161-E165 PolarHBondContact O-N 3.18Å; L162-E165 PolarHBondContact O-N 3.15Å; E163-E165 VanDerWaalsContact C-N 3.34Å; E163-E165 PolarHBondContact O-N 2.82Å; E165-T168 VanDerWaalsContact CA-OG1 3.31Å; E165-T168 WeakPolarHBondContact CA-OG1 3.45Å; E165-T168 PolarHBondContact O-N 3.02Å; E165-T168 PolarHBondContact O-OG1 3.28Å; E165-F169 VanDerWaalsContact O-CB 3.3Å; E165-F169 WeakPolarHBondContact O-CB 2.78Å; E165-F169 PolarHBondContact O-N 2.9Å
166L98Very high96.4Very high111 Ų11196.6 Ų96.658%0.58151%0.505SS*.Hα-helixtrans-65.4-45.6176.1-167.4160.5000111.1L162 E163 T168 F169 Q170L162-L166 WeakPolarHBondContact O-CB 3.13Å; L162-L166 PolarHBondContact O-N 2.8Å; E163-L166 PolarHBondContact O-N 2.86Å; L166-T168 VanDerWaalsContact C-N 3.32Å; L166-T168 PolarHBondContact O-N 2.81Å; L166-F169 PolarHBondContact O-N 3.25Å; L166-Q170 WeakPolarHBondContact O-CB 3.49Å; L166-Q170 PolarHBondContact O-N 3.12Å
167Q97.6Very high95.8Very high87 Ų8797.5 Ų97.541%0.40751%0.51SS..Hα-helixtrans-61.9-40.7177.3-72.1-17811.400111.8E163 A164 Q170 K171E163-Q167 WeakPolarHBondContact O-CG 3.26Å; E163-Q167 PolarHBondContact O-N 2.77Å; E163-Q167 PolarHBondContact OE1-NE2 3Å; A164-Q167 PolarHBondContact O-N 3.31Å; Q167-Q170 PolarHBondContact O-N 2.89Å; Q167-K171 VanDerWaalsContact O-CG 3.29Å; Q167-K171 WeakPolarHBondContact O-CG 3.46Å; Q167-K171 PolarHBondContact O-N 3.34Å
168T97.3Very high94.9Very high84 Ų8495.7 Ų95.752%0.51550%0.501SS..Hα-helixtrans-67.6-40.4176.352.40000111.7A164 E165 L166 K171 S172A164-T168 WeakPolarHBondContact O-CB 3.11Å; A164-T168 VanDerWaalsContact O-CG2 3.28Å; A164-T168 WeakPolarHBondContact O-CG2 3.3Å; A164-T168 PolarHBondContact O-N 3.17Å; A164-T168 PolarHBondContact O-OG1 3.36Å; E165-T168 VanDerWaalsContact CA-OG1 3.31Å; E165-T168 WeakPolarHBondContact CA-OG1 3.45Å; E165-T168 PolarHBondContact O-N 3.02Å; E165-T168 PolarHBondContact O-OG1 3.28Å; L166-T168 VanDerWaalsContact C-N 3.32Å; L166-T168 PolarHBondContact O-N 2.81Å; T168-K171 PolarHBondContact O-N 2.91Å; T168-S172 PolarHBondContact O-N 3.5Å
169F97.5Very high93.8Very high137 Ų13798.3 Ų98.360%0.60150%0.501SS*.Hα-helixtrans-63.3-40.9173.2-178.8-100.6000112.5E165 L166 S172 C173E165-F169 VanDerWaalsContact O-CB 3.3Å; E165-F169 WeakPolarHBondContact O-CB 2.78Å; E165-F169 PolarHBondContact O-N 2.9Å; L166-F169 PolarHBondContact O-N 3.25Å; F169-S172 PolarHBondContact O-N 3.48Å; F169-S172 PolarHBondContact O-OG 3.36Å; F169-C173 WeakPolarHBondContact CE1-SG 3.02Å; F169-C173 WeakPolarHBondContact CZ-SG 3.37Å; F169-C173 WeakPolarHBondContact O-CB 3.1Å; F169-C173 PolarHBondContact O-N 3.47Å; F169-C173 PolarHBondContact O-SG 3.4Å
170Q96.8Very high92.7Very high107 Ų10796.7 Ų96.750%0.550%0.499SS..Hα-helixtrans-62.6-45.2175.6-176.8-179.3-4.100110.9L166 Q167 S172 C173 L174L166-Q170 WeakPolarHBondContact O-CB 3.49Å; L166-Q170 PolarHBondContact O-N 3.12Å; Q167-Q170 PolarHBondContact O-N 2.89Å; Q170-S172 PolarHBondContact O-N 2.91Å; Q170-C173 PolarHBondContact O-N 2.87Å; Q170-L174 HydrophobicContact CG-CD1 4.41Å; Q170-L174 WeakPolarHBondContact O-CG 3.21Å; Q170-L174 PolarHBondContact O-N 2.96Å
171K95.3Very high91.6Very high130 Ų13093.1 Ų93.157%0.56549%0.488SS*.Hα-helixtrans-60.2-44.4175.4-72.6171.3-177.21760111.3Q167 T168 L174 L175Q167-K171 VanDerWaalsContact O-CG 3.29Å; Q167-K171 WeakPolarHBondContact O-CG 3.46Å; Q167-K171 PolarHBondContact O-N 3.34Å; T168-K171 PolarHBondContact O-N 2.91Å; K171-L174 PolarHBondContact O-N 3.35Å; K171-L175 VanDerWaalsContact O-CG 3.32Å; K171-L175 WeakPolarHBondContact O-CG 3.28Å; K171-L175 PolarHBondContact O-N 3.17Å
172S94.6Very high89.8Confident60 Ų6093.4 Ų93.442%0.4248%0.484SS..Hα-helixtrans-65.9-39.1178.873.40000112.4T168 F169 Q170 L175 Q176T168-S172 PolarHBondContact O-N 3.5Å; F169-S172 PolarHBondContact O-N 3.48Å; F169-S172 PolarHBondContact O-OG 3.36Å; Q170-S172 PolarHBondContact O-N 2.91Å; S172-L175 PolarHBondContact O-N 2.95Å; S172-Q176 WeakPolarHBondContact O-CB 3.41Å; S172-Q176 PolarHBondContact O-N 3.34Å
173C91.3Very high88.1Confident48 Ų4891.1 Ų91.132%0.32448%0.475SS..Hα-helixtrans-61.3-45.9173.7-71.10000111.9F169 Q170 L175 Q176 L177F169-C173 WeakPolarHBondContact CE1-SG 3.02Å; F169-C173 WeakPolarHBondContact CZ-SG 3.37Å; F169-C173 WeakPolarHBondContact O-CB 3.1Å; F169-C173 PolarHBondContact O-N 3.47Å; F169-C173 PolarHBondContact O-SG 3.4Å; Q170-C173 PolarHBondContact O-N 2.87Å; C173-L175 VanDerWaalsContact C-N 3.34Å; C173-L175 PolarHBondContact O-N 3.3Å; C173-Q176 PolarHBondContact O-N 3.01Å; C173-L177 WeakPolarHBondContact O-CG 3.13Å; C173-L177 PolarHBondContact O-N 3Å
174L93.4Very high86.1Confident103 Ų10388.6 Ų88.654%0.53948%0.478SS..Hα-helixtrans-62.8-40.9177.1-71.8174.5000111.8Q170 K171 L177 A178Q170-L174 HydrophobicContact CG-CD1 4.41Å; Q170-L174 WeakPolarHBondContact O-CG 3.21Å; Q170-L174 PolarHBondContact O-N 2.96Å; K171-L174 PolarHBondContact O-N 3.35Å; L174-L177 PolarHBondContact O-N 3.28Å; L174-A178 WeakPolarHBondContact O-CB 3.41Å; L174-A178 PolarHBondContact O-N 2.85Å
175L90.6Very high84.6Confident108 Ų10892.7 Ų92.757%0.56548%0.483SS*.Hα-helixtrans-63.4-41174.5-71.8172.8000111.9K171 S172 C173 A178 R179K171-L175 VanDerWaalsContact O-CG 3.32Å; K171-L175 WeakPolarHBondContact O-CG 3.28Å; K171-L175 PolarHBondContact O-N 3.17Å; S172-L175 PolarHBondContact O-N 2.95Å; C173-L175 VanDerWaalsContact C-N 3.34Å; C173-L175 PolarHBondContact O-N 3.3Å; L175-A178 PolarHBondContact O-N 3.38Å; L175-R179 WeakPolarHBondContact O-CB 3.31Å; L175-R179 WeakPolarHBondContact O-CG 3.29Å; L175-R179 PolarHBondContact O-N 2.99Å
176Q89.6Confident82.7Confident120 Ų12093.8 Ų93.856%0.56149%0.489SS*.Hα-helixtrans-66.3-37.6177.1-171.264.94.700112.3S172 C173 S180S172-Q176 WeakPolarHBondContact O-CB 3.41Å; S172-Q176 PolarHBondContact O-N 3.34Å; C173-Q176 PolarHBondContact O-N 3.01Å; Q176-S180 WeakPolarHBondContact O-CB 3.36Å; Q176-S180 PolarHBondContact O-N 3.1Å; Q176-S180 PolarHBondContact O-OG 3.48Å
177L86.2Confident80.9Confident111 Ų11192.7 Ų92.758%0.58148%0.484SS*.Hα-helixtrans-66.6-43173.2-72.8173000111.8C173 L174 S180 S181C173-L177 WeakPolarHBondContact O-CG 3.13Å; C173-L177 PolarHBondContact O-N 3Å; L174-L177 PolarHBondContact O-N 3.28Å; L177-S180 WeakPolarHBondContact CA-OG 3.32Å; L177-S180 PolarHBondContact O-N 3.1Å; L177-S180 PolarHBondContact O-OG 3.48Å; L177-S180 VanDerWaalsContact O-OG 3.08Å; L177-S181 VanDerWaalsContact O-CB 3.26Å; L177-S181 WeakPolarHBondContact O-CB 3.31Å; L177-S181 PolarHBondContact O-N 2.9Å
178A78.5Confident79.1Confident42 Ų4297.7 Ų97.735%0.34750%0.499SS..Hα-helixtrans-58.9-52.3174.100000110L174 L175 S180 S181 W182L174-A178 WeakPolarHBondContact O-CB 3.41Å; L174-A178 PolarHBondContact O-N 2.85Å; L175-A178 PolarHBondContact O-N 3.38Å; A178-S180 PolarHBondContact O-N 3.27Å; A178-S181 PolarHBondContact O-N 2.92Å; A178-S181 VanDerWaalsContact O-N 3.12Å; A178-W182 PolarHBondContact O-N 2.93Å; A178-W182 VanDerWaalsContact O-N 3.08Å
179R75.4Confident77.5Confident99 Ų9995.7 Ų95.737%0.37449%0.488SS..Hα-helixtrans-52.2-54.8177.3-75.6175.4172.5167.5-2.3111.4L175 S181 W182 V183 L202 D204L175-R179 WeakPolarHBondContact O-CB 3.31Å; L175-R179 WeakPolarHBondContact O-CG 3.29Å; L175-R179 PolarHBondContact O-N 2.99Å; R179-S181 VanDerWaalsContact C-N 3.3Å; R179-S181 PolarHBondContact O-N 3.26Å; R179-W182 PolarHBondContact O-N 3.23Å; R179-V183 WeakPolarHBondContact O-CG2 3.43Å; R179-V183 PolarHBondContact O-N 2.84Å; R179-V183 VanDerWaalsContact O-N 3.17Å; R179-L202 WeakPolarHBondContact O-CD1 3.35Å; R179-D204 IonicContact NH2-OD2 3.45Å; R179-D204 PolarHBondContact NH2-OD2 3.42Å
180S75.8Confident75.6Confident70 Ų7099.2 Ų99.249%0.4951%0.506SS..Hα-helixtrans-64.3-28.6-179.9560000114.4Q176 L177 A178Q176-S180 WeakPolarHBondContact O-CB 3.36Å; Q176-S180 PolarHBondContact O-N 3.1Å; Q176-S180 PolarHBondContact O-OG 3.48Å; L177-S180 WeakPolarHBondContact CA-OG 3.32Å; L177-S180 PolarHBondContact O-N 3.1Å; L177-S180 PolarHBondContact O-OG 3.48Å; L177-S180 VanDerWaalsContact O-OG 3.08Å; A178-S180 PolarHBondContact O-N 3.27Å
181S74.4Confident74Confident53 Ų53100.4 Ų100.437%0.37152%0.521SS..Hα-helixtrans-74.1-28.9175.6171.30000113.3L177 A178 R179 R185L177-S181 VanDerWaalsContact O-CB 3.26Å; L177-S181 WeakPolarHBondContact O-CB 3.31Å; L177-S181 PolarHBondContact O-N 2.9Å; A178-S181 PolarHBondContact O-N 2.92Å; A178-S181 VanDerWaalsContact O-N 3.12Å; R179-S181 VanDerWaalsContact C-N 3.3Å; R179-S181 PolarHBondContact O-N 3.26Å; S181-R185 WeakPolarHBondContact O-CD 3.43Å; S181-R185 PolarHBondContact O-NE 3.23Å; S181-R185 PolarHBondContact OG-NH2 3.32Å
182W62.3Low72.1Confident125 Ų12596.7 Ų96.747%0.47352%0.52SS..Hα-helixtrans-82-26.2176.1-70111.4000112.6A178 R179 G184 R185 L187 V197 L202A178-W182 PolarHBondContact O-N 2.93Å; A178-W182 VanDerWaalsContact O-N 3.08Å; R179-W182 PolarHBondContact O-N 3.23Å; W182-G184 PolarHBondContact O-N 3.37Å; W182-R185 PolarHBondContact O-N 3.42Å; W182-R185 VanDerWaalsContact O-N 3.13Å; W182-L187 HydrophobicContact CZ3-CD2 4.47Å; W182-V197 HydrophobicContact CB-CG1 4.4Å; W182-V197 WeakPolarHBondContact O-CB 3.5Å; W182-L202 HydrophobicContact CB-CD1 3.69Å
183V61Low70Confident61 Ų6196.5 Ų96.537%0.3752%0.518SS..THydrogen-bonded Turntrans-58.6121.7174.9173.60000110.7R179 A199 L202R179-V183 WeakPolarHBondContact O-CG2 3.43Å; R179-V183 PolarHBondContact O-N 2.84Å; R179-V183 VanDerWaalsContact O-N 3.17Å; V183-A199 HydrophobicContact CG1-CB 3.94Å; V183-A199 HydrophobicContact CG2-CB 3.81Å; V183-L202 HydrophobicContact CG2-CD1 4.01Å
184G56.7Low68.2Low57 Ų5797.1 Ų97.159%0.58852%0.521SS*.THydrogen-bonded Turntrans86.30.4178.200000115W182 V197W182-G184 PolarHBondContact O-N 3.37Å; G184-V197 PolarHBondContact N-O 3.4Å
185R67.6Low66.6Low138 Ų13898.6 Ų98.652%0.52153%0.525SS..  trans-79.7137.9169.9-64.4-166.3-169.4-148.54.2110.4S181 W182 V197S181-R185 WeakPolarHBondContact O-CD 3.43Å; S181-R185 PolarHBondContact O-NE 3.23Å; S181-R185 PolarHBondContact OG-NH2 3.32Å; W182-R185 PolarHBondContact O-N 3.42Å; W182-R185 VanDerWaalsContact O-N 3.13Å; R185-V197 PolarHBondContact O-N 3.01Å
186M57.4Low65.1Low119 Ų11997 Ų9759%0.58652%0.519SS*.EExtended strand (participates in β ladder)trans-97.3109.2-179.5-170.3-178.8-71.600108.5V194 V196M186-V194 HydrophobicContact CE-CG1 4.22Å; M186-V194 HydrophobicContact CG-CG1 3.23Å; M186-V194 HydrophobicContact SD-CG1 3.38Å; M186-V194 WeakPolarHBondContact SD-CG1 3.48Å; M186-V196 HydrophobicContact CE-CG2 4.04Å; M186-V196 HydrophobicContact CG-CG2 4.19Å
187L60.7Low63.7Low88 Ų8892.3 Ų92.346%0.46150%0.499SS..EExtended strand (participates in β ladder)trans-84116.9173.8-67.5174.2000107.9W182 E195 V197W182-L187 HydrophobicContact CZ3-CD2 4.47Å; L187-E195 PolarHBondContact N-O 3.09Å; L187-E195 PolarHBondContact O-N 2.87Å; L187-V197 HydrophobicContact CD1-CG2 3.82Å; L187-V197 HydrophobicContact CG-CG2 4.14Å
188R59.1Low62.2Low192 Ų19289.4 Ų89.473%0.72549%0.486SS*.EExtended strand (participates in β ladder)trans-104114.3176.2-167.8-179.3-92.6-125.82.8107.9S193 V194R188-S193 WeakPolarHBondContact CA-O 3.49Å; R188-V194 HydrophobicContact CB-CG2 4.44Å; R188-V194 HydrophobicContact CG-CG2 3.94Å
189S64.4Low61.1Low42 Ų4290.4 Ų90.429%0.29449%0.494SS..  trans-71.5156.417773.10000110.6T191 G192 S193S189-T191 PolarHBondContact O-N 3.32Å; S189-T191 VanDerWaalsContact O-N 3.16Å; S189-T191 PolarHBondContact OG-N 2.86Å; S189-T191 PolarHBondContact OG-OG1 3.38Å; S189-G192 PolarHBondContact O-N 3.43Å; S189-G192 PolarHBondContact OG-N 3.13Å; S189-S193 WeakPolarHBondContact CB-OG 2.81Å; S189-S193 PolarHBondContact N-O 3.36Å; S189-S193 PolarHBondContact OG-N 3.4Å; S189-S193 PolarHBondContact OG-O 2.95Å; S189-S193 PolarHBondContact OG-OG 2.94Å
190Q56.5Low60.2Low210 Ų21092.8 Ų92.898%0.98151%0.51SS*.THydrogen-bonded Turntrans-62.8-17.4174.5-72-180-1.900112.7
191T63.4Low59.4Low133 Ų13394.5 Ų94.582%0.81652%0.517SS*.THydrogen-bonded Turntrans-90.52.2175.348.20000113.6S189S189-T191 PolarHBondContact O-N 3.32Å; S189-T191 VanDerWaalsContact O-N 3.16Å; S189-T191 PolarHBondContact OG-N 2.86Å; S189-T191 PolarHBondContact OG-OG1 3.38Å
192G55.1Low58.4Low52 Ų5294.4 Ų94.454%0.53651%0.512SS..SBendtrans89.24.2172.800000115.6S189S189-G192 PolarHBondContact O-N 3.43Å; S189-G192 PolarHBondContact OG-N 3.13Å
193S51.8Low57.8Low55 Ų5596.8 Ų96.839%0.38553%0.526SS..  trans-75.3139.5169.260.40000110.6R188 S189R188-S193 WeakPolarHBondContact CA-O 3.49Å; S189-S193 WeakPolarHBondContact CB-OG 2.81Å; S189-S193 PolarHBondContact N-O 3.36Å; S189-S193 PolarHBondContact OG-N 3.4Å; S189-S193 PolarHBondContact OG-O 2.95Å; S189-S193 PolarHBondContact OG-OG 2.94Å
194V52.4Low57.1Low61 Ų6199.1 Ų99.137%0.3754%0.536SS..EExtended strand (participates in β ladder)trans-116.5110.2-179.7168.20000107.6M186 R188M186-V194 HydrophobicContact CE-CG1 4.22Å; M186-V194 HydrophobicContact CG-CG1 3.23Å; M186-V194 HydrophobicContact SD-CG1 3.38Å; M186-V194 WeakPolarHBondContact SD-CG1 3.48Å; R188-V194 HydrophobicContact CB-CG2 4.44Å; R188-V194 HydrophobicContact CG-CG2 3.94Å
195E60.1Low56.7Low134 Ų134101 Ų10163%0.62654%0.538SS*.EExtended strand (participates in β ladder)trans-106.2121.9174-69.7178.1-170.200108.5L187L187-E195 PolarHBondContact N-O 3.09Å; L187-E195 PolarHBondContact O-N 2.87Å
196V59.2Low55.7Low74 Ų7499.5 Ų99.545%0.44855%0.549SS..EExtended strand (participates in β ladder)trans-90.9119.8174.4179.40000107.1M186 T198M186-V196 HydrophobicContact CE-CG2 4.04Å; M186-V196 HydrophobicContact CG-CG2 4.19Å; V196-T198 HydrophobicContact CG1-CG2 4.33Å; V196-T198 PolarHBondContact O-N 2.98Å
197V59.5Low54.8Low22 Ų22101.7 Ų101.713%0.13356%0.563CS.*  trans-73.796.7177.3-177.80000108.2W182 G184 R185 L187 L202W182-V197 HydrophobicContact CB-CG1 4.4Å; W182-V197 WeakPolarHBondContact O-CB 3.5Å; G184-V197 PolarHBondContact N-O 3.4Å; R185-V197 PolarHBondContact O-N 3.01Å; L187-V197 HydrophobicContact CD1-CG2 3.82Å; L187-V197 HydrophobicContact CG-CG2 4.14Å; V197-L202 HydrophobicContact CG1-CD1 3.69Å; V197-L202 HydrophobicContact CG1-CD2 4.41Å; V197-L202 HydrophobicContact CG1-CG 3.9Å
198T55.5Low53.8Low50 Ų50102 Ų10231%0.30757%0.572SS.*  trans-83.5152174.451.80000110.5V196 E200 V201V196-T198 HydrophobicContact CG1-CG2 4.33Å; V196-T198 PolarHBondContact O-N 2.98Å; T198-E200 WeakPolarHBondContact CB-OE1 3.41Å; T198-E200 PolarHBondContact O-N 3.39Å; T198-E200 VanDerWaalsContact OG1-CG 3.27Å; T198-E200 WeakPolarHBondContact OG1-CG 3.4Å; T198-E200 PolarHBondContact OG1-OE1 2.97Å; T198-V201 PolarHBondContact O-N 2.91Å
199A54.8Low53Low64 Ų6498.1 Ų98.153%0.52957%0.574SS.*THydrogen-bonded Turntrans-60.3-18.1-17500000114.5V183V183-A199 HydrophobicContact CG1-CB 3.94Å; V183-A199 HydrophobicContact CG2-CB 3.81Å
200E56.9Low51.5Low149 Ų149104.4 Ų104.470%0.69660%0.599SS**THydrogen-bonded Turntrans-74.2-27.8175.562.5-148.1150.600113.6T198T198-E200 WeakPolarHBondContact CB-OE1 3.41Å; T198-E200 PolarHBondContact O-N 3.39Å; T198-E200 VanDerWaalsContact OG1-CG 3.27Å; T198-E200 WeakPolarHBondContact OG1-CG 3.4Å; T198-E200 PolarHBondContact OG1-OE1 2.97Å
201V59.1Low50.5Low106 Ų106104.4 Ų104.464%0.64259%0.592SS**THydrogen-bonded Turntrans-80-24-178.1-179.80000112.6T198T198-V201 PolarHBondContact O-N 2.91Å
202L54Low49.4Very low50 Ų50102.5 Ų102.526%0.26259%0.589SS.*THydrogen-bonded Turntrans-91.32.4179.1-69.3169.8000113.9R179 W182 V183 V197 D204R179-L202 WeakPolarHBondContact O-CD1 3.35Å; W182-L202 HydrophobicContact CB-CD1 3.69Å; V183-L202 HydrophobicContact CG2-CD1 4.01Å; V197-L202 HydrophobicContact CG1-CD1 3.69Å; V197-L202 HydrophobicContact CG1-CD2 4.41Å; V197-L202 HydrophobicContact CG1-CG 3.9Å; L202-D204 PolarHBondContact O-N 3.25Å
203K48.4Very low48.4Very low175 Ų175108.9 Ų108.976%0.76161%0.605SS**  trans-8694178.1-159.6-175.4-178.4-168.50108.1
204D46.4Very low47.9Very low110 Ų110112.2 Ų112.259%0.58862%0.623SS**  trans-61.4137.8171.8-77.1-47.3000110.6R179 L202 S206R179-D204 IonicContact NH2-OD2 3.45Å; R179-D204 PolarHBondContact NH2-OD2 3.42Å; L202-D204 PolarHBondContact O-N 3.25Å; D204-S206 PolarHBondContact O-N 3.36Å
205P48.6Very low47.3Very low97 Ų97115.1 Ų115.163%0.6364%0.643SS**  trans-80.855-172.135.3-38.6000112.4D207P205-D207 VanDerWaalsContact C-N 3.29Å; P205-D207 PolarHBondContact O-N 3.45Å
206S46.3Very low46.4Very low107 Ų107114.9 Ų114.975%0.74865%0.651SS**THydrogen-bonded Turntrans-83.52.4-179.4-630000115D204D204-S206 PolarHBondContact O-N 3.36Å
207D39.4Very low45.6Very low165 Ų165116.4 Ų116.488%0.88267%0.672SS**THydrogen-bonded Turntrans-120.712.3-179.6-69.6-28.3000114.7P205P205-D207 VanDerWaalsContact C-N 3.29Å; P205-D207 PolarHBondContact O-N 3.45Å
208S38.2Very low44.5Very low93 Ų93119 Ų11965%0.6570%0.702SS**  trans-100.289.9172.531.40000110.3
209S42.7Very low44.1Very low111 Ų111126.2 Ų126.278%0.77673%0.732SS**  trans-61.3144.7158.458.20000110.3
210E34.1Very low43.3Very low174 Ų174125.9 Ų125.981%0.81374%0.736SS**SBendtrans103.7107157.6-145.9164.4-157.600117.3
211Y34.9Very low42.5Very low211 Ų211129.2 Ų129.283%0.82775%0.748SS**  trans63102.7156.4-88.2-98.3000120.9
212A40.7Very low42.3Very low92 Ų92132 Ų13276%0.7675%0.747SS**  trans40.9111.8134.400000119.7
213E34.1Very low42Very low186 Ų186135.3 Ų135.387%0.86976%0.764SS**  -165.5140.9111-145.7162.9-172.900109.6P215E213-P215 WeakPolarHBondContact O-CD 3.45Å
214V41.5Very low42.4Very low125 Ų125133.5 Ų133.576%0.75876%0.759SS**  trans-80.8132.8174.6172.10000108.8
215P39.1Very low43Very low123 Ų123134.7 Ų134.780%0.79977%0.765SS**  trans-110.7120.41485.515.4000110.2E213E213-P215 WeakPolarHBondContact O-CD 3.45Å
216T40.8Very low44Very low128 Ų128132.4 Ų132.479%0.78575%0.749SS**  trans-57147.3167.5-42.50000111.6
217A41.7Very low45.2Very low107 Ų107131.6 Ų131.688%0.88474%0.736SS**  trans80.5103.3160.400000118.2
218G37.6Very low46.9Very low75 Ų75130.6 Ų130.677%0.77372%0.72SS**  trans173.995.5160.500000108.4G220G218-G220 PolarHBondContact O-N 3.32Å
219E46.7Very low48.4Very low202 Ų202131.6 Ų131.694%0.94472%0.718SS**  trans-53.699.4174.9-82.9167.4142.500110
220G37.5Very low49.7Very low58 Ų58128.7 Ų128.760%0.59870%0.698SS**  trans-71.7132.1168.600000109.1G218 R222G218-G220 PolarHBondContact O-N 3.32Å; G220-R222 PolarHBondContact O-N 2.96Å
221F41.3Very low51.3Low218 Ų218122.4 Ų122.496%0.95667%0.67SS**  trans-49.1114.6175.7-71.7-86.2000110.6
222R54.5Low52.9Low165 Ų165113.9 Ų113.962%0.62364%0.643SS**  trans-78.7128.8174.5-64.5-118.777.6172.63.5107.5G220 E224 D225G220-R222 PolarHBondContact O-N 2.96Å; R222-E224 VanDerWaalsContact CB-OE2 3.27Å; R222-E224 WeakPolarHBondContact CB-OE2 3.41Å; R222-E224 IonicContact NE-OE2 2.91Å; R222-E224 PolarHBondContact O-N 3.49Å; R222-E224 VanDerWaalsContact O-N 3.11Å; R222-D225 PolarHBondContact O-N 3.02Å
223L47.7Very low53.9Low120 Ų120116.9 Ų116.963%0.62864%0.641SS**G310 helixtrans-63.3-18.5179.7-16668.3000111.2D225 V226 W228L223-D225 VanDerWaalsContact C-N 3.33Å; L223-V226 HydrophobicContact CD1-CG2 4.34Å; L223-V226 WeakPolarHBondContact O-CB 3.45Å; L223-W228 HydrophobicContact CD1-CZ2 4.46Å
224E57.2Low55.5Low137 Ų137116.2 Ų116.264%0.6463%0.63SS**G310 helixtrans-70.9-22175-58.378.3-165.700113.6R222 V226R222-E224 VanDerWaalsContact CB-OE2 3.27Å; R222-E224 WeakPolarHBondContact CB-OE2 3.41Å; R222-E224 IonicContact NE-OE2 2.91Å; R222-E224 PolarHBondContact O-N 3.49Å; R222-E224 VanDerWaalsContact O-N 3.11Å; E224-V226 VanDerWaalsContact C-N 3.28Å; E224-V226 PolarHBondContact O-N 3.48Å
225D58.4Low56.4Low135 Ų135116.9 Ų116.972%0.72262%0.62SS**G310 helixtrans-88.32.9178.9-62.7-30.3000112.8R222 L223 D227R222-D225 PolarHBondContact O-N 3.02Å; L223-D225 VanDerWaalsContact C-N 3.33Å; D225-D227 PolarHBondContact O-N 3.43Å
226V69.4Low57.3Low49 Ų49114.8 Ų114.830%0.29761%0.607SS.*  trans-82.3109.1179.2-179.80000109.5L223 E224 W228 I231L223-V226 HydrophobicContact CD1-CG2 4.34Å; L223-V226 WeakPolarHBondContact O-CB 3.45Å; E224-V226 VanDerWaalsContact C-N 3.28Å; E224-V226 PolarHBondContact O-N 3.48Å; V226-W228 HydrophobicContact CB-CZ2 4.48Å; V226-W228 HydrophobicContact CG1-CD2 4.18Å; V226-W228 HydrophobicContact CG1-CH2 4.5Å; V226-W228 HydrophobicContact CG1-CZ2 4.14Å; V226-W228 PolarHBondContact O-N 3.26Å; V226-I231 HydrophobicContact CG1-CD1 3.32Å
227D71.2Confident58.2Low89 Ų89115.2 Ų115.248%0.47660%0.604SS.*  trans-70.892.6170.9178.217.1000110.8D225 N229 S230 I231D225-D227 PolarHBondContact O-N 3.43Å; D227-N229 PolarHBondContact O-N 3.01Å; D227-N229 VanDerWaalsContact OD1-CB 3.27Å; D227-N229 WeakPolarHBondContact OD1-CB 3.44Å; D227-N229 PolarHBondContact OD1-N 2.86Å; D227-S230 PolarHBondContact O-N 2.93Å; D227-S230 PolarHBondContact OD1-N 3.19Å; D227-S230 WeakPolarHBondContact OD2-CB 3.45Å; D227-S230 PolarHBondContact OD2-N 2.96Å; D227-S230 PolarHBondContact OD2-OG 3.45Å; D227-I231 PolarHBondContact O-N 3.49Å
228W75.4Confident59.2Low145 Ų145115.6 Ų115.655%0.54959%0.591SS.*Hα-helixtrans-60.5-25.7177.3-67.4102.7000113.1L223 V226 I231 A232L223-W228 HydrophobicContact CD1-CZ2 4.46Å; V226-W228 HydrophobicContact CB-CZ2 4.48Å; V226-W228 HydrophobicContact CG1-CD2 4.18Å; V226-W228 HydrophobicContact CG1-CH2 4.5Å; V226-W228 HydrophobicContact CG1-CZ2 4.14Å; V226-W228 PolarHBondContact O-N 3.26Å; W228-I231 HydrophobicContact CE3-CD1 4.21Å; W228-I231 HydrophobicContact CZ3-CD1 4.38Å; W228-I231 PolarHBondContact O-N 3.02Å; W228-A232 WeakPolarHBondContact O-CB 3.27Å; W228-A232 PolarHBondContact O-N 2.94Å
229N69.6Low60Low113 Ų113116.4 Ų116.460%0.60457%0.573SS**Hα-helixtrans-69.2-44.1176.8-110.8-4.2000110.9D227 I231 A232 H233D227-N229 PolarHBondContact O-N 3.01Å; D227-N229 VanDerWaalsContact OD1-CB 3.27Å; D227-N229 WeakPolarHBondContact OD1-CB 3.44Å; D227-N229 PolarHBondContact OD1-N 2.86Å; N229-I231 PolarHBondContact O-N 3.47Å; N229-A232 PolarHBondContact O-N 3.3Å; N229-H233 PolarHBondContact O-CD2 2.94Å; N229-H233 PolarHBondContact O-N 3.38Å
230S69.5Low60.2Low51 Ų51110.1 Ų110.136%0.35755%0.551SS.*Hα-helixtrans-64.8-25173.9-75.70000113.8D227 R234D227-S230 PolarHBondContact O-N 2.93Å; D227-S230 PolarHBondContact OD1-N 3.19Å; D227-S230 WeakPolarHBondContact OD2-CB 3.45Å; D227-S230 PolarHBondContact OD2-N 2.96Å; D227-S230 PolarHBondContact OD2-OG 3.45Å; S230-R234 WeakPolarHBondContact O-CG 3.49Å; S230-R234 PolarHBondContact O-N 2.97Å; S230-R234 PolarHBondContact O-NE 3.37Å
231I69.4Low60.4Low41 Ų41115.2 Ų115.221%0.2157%0.565CS.*Hα-helixtrans-79.7-42.5174.7-66.5171.7000110.7V226 D227 W228 N229 H233 R234 Y235V226-I231 HydrophobicContact CG1-CD1 3.32Å; D227-I231 PolarHBondContact O-N 3.49Å; W228-I231 HydrophobicContact CE3-CD1 4.21Å; W228-I231 HydrophobicContact CZ3-CD1 4.38Å; W228-I231 PolarHBondContact O-N 3.02Å; N229-I231 PolarHBondContact O-N 3.47Å; I231-H233 VanDerWaalsContact C-N 3.32Å; I231-H233 PolarHBondContact O-N 2.92Å; I231-R234 PolarHBondContact O-N 2.83Å; I231-Y235 HydrophobicContact CG2-CD2 4.48Å; I231-Y235 PolarHBondContact O-N 2.79Å
232A67.3Low60.7Low32 Ų32112.3 Ų112.326%0.26456%0.556SS.*Hα-helixtrans-60.5-39.7176.700000112.5W228 N229 Y235 F239W228-A232 WeakPolarHBondContact O-CB 3.27Å; W228-A232 PolarHBondContact O-N 2.94Å; N229-A232 PolarHBondContact O-N 3.3Å; A232-Y235 CarbonylContact O-C 3.59Å; A232-F239 HydrophobicContact CB-CD2 4.12Å; A232-F239 HydrophobicContact CB-CE2 3.84Å
233H62.3Low60Low155 Ų155108.4 Ų108.472%0.71855%0.554SS**Hα-helixtrans-71-31.1175.5-72.1-57000113.8N229 I231N229-H233 PolarHBondContact O-CD2 2.94Å; N229-H233 PolarHBondContact O-N 3.38Å; I231-H233 VanDerWaalsContact C-N 3.32Å; I231-H233 PolarHBondContact O-N 2.92Å
234R67.9Low59.6Low172 Ų172112.8 Ų112.865%0.64956%0.564SS**Hα-helixtrans-80.9-25.9178.8-80.9-170.3-72.6-173.4-2.1113.5S230 I231S230-R234 WeakPolarHBondContact O-CG 3.49Å; S230-R234 PolarHBondContact O-N 2.97Å; S230-R234 PolarHBondContact O-NE 3.37Å; I231-R234 PolarHBondContact O-N 2.83Å
235Y60.3Low58.7Low140 Ų140115.5 Ų115.555%0.54958%0.576SS.*  trans-136.771.7-177.8-58.9-75.7000111I231 A232 N237 L238I231-Y235 HydrophobicContact CG2-CD2 4.48Å; I231-Y235 PolarHBondContact O-N 2.79Å; A232-Y235 CarbonylContact O-C 3.59Å; Y235-N237 PolarHBondContact O-N 3.26Å; Y235-L238 HydrophobicContact CD2-CD1 4.46Å; Y235-L238 HydrophobicContact CG-CD1 4.08Å; Y235-L238 PolarHBondContact O-N 3.16Å; Y235-L238 VanDerWaalsContact O-N 3.16Å
236P58.3Low57.6Low79 Ų79114.3 Ų114.351%0.51358%0.579SS.*G310 helixtrans-60.5-23.5-177.121.7-31.7000113.3L238 S240P236-L238 VanDerWaalsContact C-N 3.32Å; P236-L238 PolarHBondContact O-N 3.37Å; P236-S240 PolarHBondContact O-OG 3.12Å; P236-S240 VanDerWaalsContact O-OG 3.09Å
237N59.4Low55.9Low136 Ų136119.4 Ų119.473%0.72760%0.604SS**G310 helixtrans-79.5-11.6-176.1-47.8-20.6000113.4Y235 F239Y235-N237 PolarHBondContact O-N 3.26Å; N237-F239 VanDerWaalsContact C-N 3.34Å
238L61.6Low54.1Low116 Ų116124 Ų12461%0.60762%0.622SS**G310 helixtrans-76-23.7178.6-75.7174.2000112.5Y235 P236Y235-L238 HydrophobicContact CD2-CD1 4.46Å; Y235-L238 HydrophobicContact CG-CD1 4.08Å; Y235-L238 PolarHBondContact O-N 3.16Å; Y235-L238 VanDerWaalsContact O-N 3.16Å; P236-L238 VanDerWaalsContact C-N 3.32Å; P236-L238 PolarHBondContact O-N 3.37Å
239F54.9Low51.8Low92 Ų92127.1 Ų127.140%0.40464%0.64SS.*SBendtrans-106.7-3.3-174.7-60.6-80.2000113.4A232 N237 N241 M242A232-F239 HydrophobicContact CB-CD2 4.12Å; A232-F239 HydrophobicContact CB-CE2 3.84Å; N237-F239 VanDerWaalsContact C-N 3.34Å; F239-N241 VanDerWaalsContact C-N 3.27Å; F239-N241 PolarHBondContact O-N 3.17Å; F239-M242 PolarHBondContact O-N 3.27Å
240S50.2Low49.8Very low70 Ų70129.4 Ų129.449%0.4965%0.651SS.*THydrogen-bonded Turntrans-71.2-16-176.4-43.10000114.5P236P236-S240 PolarHBondContact O-OG 3.12Å; P236-S240 VanDerWaalsContact O-OG 3.09Å
241N43.3Very low47.9Very low164 Ų164132.7 Ų132.788%0.87767%0.671SS**THydrogen-bonded Turntrans-96.22.9178.4-82.2-18.5000114.1F239F239-N241 VanDerWaalsContact C-N 3.27Å; F239-N241 PolarHBondContact O-N 3.17Å
242M47.7Very low45.9Very low158 Ų158139.9 Ų139.978%0.77870%0.704SS**SBendtrans-104.51.8179.8-78.4175.662.300114F239 Y244F239-M242 PolarHBondContact O-N 3.27Å; M242-Y244 VanDerWaalsContact C-N 3.34Å; M242-Y244 PolarHBondContact O-N 3.27Å
243S38.9Very low44.1Very low83 Ų83143.6 Ų143.658%0.5873%0.725SS**  trans-92.650.3179.567.20000113.1
244Y40.1Very low42.3Very low211 Ų211145.7 Ų145.783%0.82774%0.735SS**SBendtrans-154.384.5161.3-83.5-75.7000107.5M242M242-Y244 VanDerWaalsContact C-N 3.34Å; M242-Y244 PolarHBondContact O-N 3.27Å
245H37.5Very low40.3Very low195 Ų195146.2 Ų146.290%0.90375%0.745SS**  trans167.470.4152-77.3-46.5000107.6
246S34.8Very low38.7Very low110 Ų110144.9 Ų144.977%0.76976%0.756SS**  trans-150.168165.270.50000110.7
247D35.2Very low37Very low156 Ų156146.8 Ų146.883%0.83477%0.772SS**  trans-13864.3156.8-92.1-34.3000108.7
248H32.3Very low35.4Very low184 Ų184148.3 Ų148.385%0.85277%0.774SS**  trans-133.997.5157.5-72.9-57.7000108.2L250H248-L250 PolarHBondContact O-N 3.36Å; H248-L250 VanDerWaalsContact O-N 3.1Å
249K26.9Very low33.7Very low212 Ų212149.5 Ų149.592%0.92278%0.779SS**  trans-54.1108.7161.6-85.1178.4172.2177.70108.7
250L27.6Very low32.3Very low160 Ų160152.5 Ų152.584%0.83880%0.799SS**PPolyproline II helixtrans-75.6131.9151.1-9297.5000108.5H248H248-L250 PolarHBondContact O-N 3.36Å; H248-L250 VanDerWaalsContact O-N 3.1Å
251P31.1Very low31.2Very low121 Ų121153.1 Ų153.179%0.78681%0.808SS**PPolyproline II helixtrans-75130.4158.4-7.524.8000109.4
252Q25.8Very low30.3Very low191 Ų191151.1 Ų151.189%0.89381%0.807SS**PPolyproline II helixtrans-67.8156.5172-112.2-174.6-28.100112
253P29.5Very low29.1Very low110 Ų110150.9 Ų150.971%0.71481%0.809SS**PPolyproline II helixtrans-87.8147.7-171.935.3-30.6000112.3
254Q25Very low28.5Very low199 Ų199152.9 Ų152.993%0.9382%0.823SS**  trans-114.3122.2159.9-73.8-170-45.900109.3
255Q26.7Very low27.8Very low184 Ų184151.8 Ų151.886%0.8683%0.825SS**  trans-88.8130.9173.5-78-178.4-31.200111
256S25.5Very low27.2Very low111 Ų111147.6 Ų147.678%0.77682%0.818SS**  trans52.8125.4137.863.90000122.7
257S23.3Very low26.8Very low120 Ų120148.4 Ų148.484%0.83982%0.818SS**  -148.8120.212170.30000112.9
258E24.7Very low26.4Very low167 Ų167150.5 Ų150.578%0.7882%0.82SS**  trans-45.7165.5150.3-87.6171.1124.300113
259M26.8Very low26Very low142 Ų142150.8 Ų150.870%0.782%0.821SS**  cis-169.5162.6-6.5175.4118.685.500106.3
260D25Very low26.1Very low154 Ų154147.3 Ų147.382%0.82482%0.817SS**  trans100.4142.6148.9-80.3-22.9000124
261A27.1Very low26.1Very low84 Ų84148.7 Ų148.769%0.69482%0.819SS**  trans-89.4158.7-15700000115.9
262S24.2Very low26.1Very low121 Ų121152.6 Ų152.685%0.84682%0.824SS**  162.5151.6118.5-72.20000112.9
263D23.8Very low26.8Very low154 Ų154149.5 Ų149.582%0.82482%0.821SS**  trans-52.5152.5-172.5-62.4-52.6000118.1
264S26.7Very low26.6Very low125 Ų125148.2 Ų148.287%0.87483%0.827SS**  -179.8144.1122.1-78.70000113.3
265E25.3Very low27Very low188 Ų188149 Ų14988%0.87983%0.827SS**  trans-67.8152.8-179.4-66.7173.7128.700115.1
266S24.7Very low26.9Very low107 Ų107145.5 Ų145.575%0.74882%0.823SS**  127.4110.4127.174.10000118.4
267V26.3Very low27.1Very low126 Ų126147.7 Ų147.776%0.76483%0.825SS**  67.5105.2129.2-172.90000118.8
268K27.2Very low27.1Very low201 Ų201150.5 Ų150.587%0.87483%0.825SS**  -179.9117.6102.1-90.8-179.3-172.51740112.1
269H23.4Very low27.2Very low189 Ų189154.6 Ų154.688%0.87583%0.834SS**  trans-74.3128.8168.2-108.5-85.9000111.2
270V29.2Very low27.2Very low139 Ų139153.4 Ų153.484%0.84284%0.839SS**  trans-149.4111.7141.7173.20000106.7
271E26.8Very low27.3Very low189 Ų189150.8 Ų150.888%0.88384%0.839SS**  trans-164.5137151.7-112.6167-160.700110.4
272K30.1Very low27.5Very low203 Ų203154.3 Ų154.388%0.88385%0.846SS**  trans-125.1166.8-179.6-107.7-168.1-177.1179.20107.7
273P40.8Very low28.1Very low127 Ų127154.9 Ų154.983%0.82585%0.846SS**  -104.6160.9-119.938.9-36000114.2
274G26Very low28.3Very low82 Ų82153.2 Ų153.285%0.84584%0.841SS**  trans-144.1133.7168.400000111.5
275K33.8Very low28.3Very low216 Ų216152.5 Ų152.594%0.93983%0.832SS**  trans-100.6141.2174.8-59.8170177.8177.70109.1
276S25.2Very low28.3Very low110 Ų110150.1 Ų150.177%0.76983%0.825SS**  trans-164.5122146.167.50000109.5
277L28.2Very low28.3Very low158 Ų158152.1 Ų152.183%0.82783%0.827SS**  48.6105.195.7-103.782.6000112.4
278E24.7Very low28.3Very low178 Ų178151.4 Ų151.483%0.83283%0.828SS**  66.5117.669.9-157.4173.9-16600113.2
279W26.6Very low28.4Very low254 Ų254147.1 Ų147.196%0.96282%0.823SS**  trans-89.9131-166.1-66.788.8000111.8
280S27Very low28.7Very low116 Ų116142.5 Ų142.581%0.81181%0.812SS**  trans-111.3146.1171.347.70000112.3
281A27.2Very low28.8Very low100 Ų100145 Ų14583%0.82681%0.814SS**  trans-70.5153.7179.500000113.8
282L30.9Very low29Very low158 Ų158139 Ų13983%0.82780%0.804SS**  trans-68.4158.8174.9-64.6169000112.3
283P37Very low29.2Very low132 Ų132135.2 Ų135.286%0.85780%0.798SS**  -134.1176.410037.9-26.4000115
284V27.1Very low28.7Very low119 Ų119136 Ų13672%0.72180%0.795SS**  trans-94.3136.4-157.5151.20000111.8
285V27.3Very low28.9Very low111 Ų111136.5 Ų136.567%0.67379%0.785SS**  trans65.9113.3141.4172.90000118.3
286D25.1Very low28.7Very low138 Ų138132.2 Ų132.274%0.73877%0.773SS**  175.8151.591.4-114.2-27.5000112.3
287N25.1Very low28.8Very low149 Ų149137.5 Ų137.580%0.79778%0.778SS**  trans92.4123.4154.9-59.8-6.2000122
288S26Very low28.7Very low111 Ų111135.2 Ų135.278%0.77678%0.775SS**  trans-63.4149176.7-520000115.7
289S28.6Very low28.8Very low111 Ų111131.2 Ų131.278%0.77677%0.767SS**  trans18.8127.2143.261.20000120.2
290S29.6Very low28.7Very low92 Ų92124.3 Ų124.364%0.64376%0.756SS**  178.5147.690.8-158.30000111.8
291E31Very low28.6Very low190 Ų190126.8 Ų126.889%0.88875%0.754SS**  trans40.7136.7148.4-78.9169.3121.800122.4
292G31.5Very low28.4Very low64 Ų64128.8 Ų128.866%0.6675%0.751SS**  trans135.683136.600000116.1
293T34.9Very low28.1Very low124 Ų124127 Ų12776%0.76175%0.746SS**  trans39.7123.5134.256.90000121.1
294D30.3Very low27.8Very low142 Ų142128.1 Ų128.176%0.75974%0.744SS**  77115.1127.8-60.5-13000121.2
295S30.4Very low27.7Very low93 Ų93131.1 Ų131.165%0.6575%0.75SS**  80.4109.9125.1-76.40000120.8
296D28.7Very low27.8Very low127 Ų127131.4 Ų131.468%0.67976%0.757SS**  89.6112.5116.3-61.7-34.6000120.2
297Y27.1Very low27.8Very low220 Ų220128.7 Ų128.786%0.86376%0.762SS**  46.5120129.1-81.6-87.8000119.3
298S27.5Very low27.9Very low110 Ų110125.2 Ų125.277%0.76976%0.761SS**  159.9100.1121.8177.30000109.1
299S26.5Very low28Very low95 Ų95129.4 Ų129.466%0.66477%0.765SS**  78.5103.3104.4-175.20000115.1
300C23.2Very low27.9Very low108 Ų108129.8 Ų129.873%0.7376%0.763SS**  32.5122.3125.5-46.50000118
301Q25.2Very low27.8Very low168 Ų168131.1 Ų131.179%0.78577%0.767SS**  172.5131.693.4-97.3-176.51.600112.6
302L23.8Very low27.4Very low143 Ų143128.3 Ų128.375%0.74976%0.763SS**  trans65.9147.8132.2-67.1166.8000121.3
303V24.3Very low27Very low120 Ų120128.1 Ų128.173%0.72776%0.761SS**  trans9887.1154.2-1650000115.4
304L30.1Very low26.4Very low156 Ų156131.2 Ų131.282%0.81777%0.766SS**  trans-22.6131.5136.4-71.6152000112.6
305H24.9Very low26.7Very low181 Ų181129.9 Ų129.984%0.83877%0.768SS**  -161.4126.9123.3-93.9-63.6000110.7
306S30Very low26.9Very low117 Ų117130.3 Ų130.382%0.81877%0.768SS**  trans-73.8163.816947.30000112.3
307G25.9Very low26.8Very low82 Ų82133.4 Ų133.485%0.84578%0.779SS**  trans127.7115.3165.100000110.3
308G25.7Very low26.6Very low76 Ų76126 Ų12678%0.78477%0.769SS**  cis114.5114.126.300000108.5
309K28.9Very low26.6Very low199 Ų199126.8 Ų126.887%0.86577%0.77SS**  trans165.1117.1152.8-101.2-177.6169.6177.30108.7
310V27.6Very low26.5Very low119 Ų119128.9 Ų128.972%0.72177%0.773SS**  95.6118.169.5156.40000111.6
311V26Very low26.7Very low120 Ų120130.9 Ų130.973%0.72778%0.776SS**  trans72.4127.6144.3179.60000115
312T24.2Very low26.7Very low131 Ų131128.6 Ų128.680%0.80477%0.774SS**  179.4144.567.5-240000105.1
313G22.2Very low27Very low60 Ų60127 Ų12762%0.61977%0.774SS**  111.2126.390.100000112.3
314H22.9Very low27Very low189 Ų189129.3 Ų129.388%0.87578%0.778SS**  trans42.4123.2149.8-61.3-73.8000122.1
315S34.9Very low26.9Very low113 Ų113129.9 Ų129.979%0.7978%0.776SS**  trans-70.3149.3144.1-176.50000110.1
316P36.3Very low26.8Very low103 Ų103129.4 Ų129.467%0.66978%0.776SS**  -146.2159.8121.235.9-19.8000115.4
317Q25Very low26.6Very low191 Ų191133.1 Ų133.189%0.89378%0.78SS**  trans41.6125.7144.2-78.4170.7-22.300118.8
318G23.4Very low26.5Very low65 Ų65136.7 Ų136.767%0.6778%0.775SS**  131.2139.75500000105.1
319T27.1Very low26.5Very low127 Ų127137.8 Ų137.878%0.77977%0.771SS**  179119.994.6-52.80000107.6
320D24.2Very low26.3Very low138 Ų138134.3 Ų134.374%0.73877%0.767SS**  trans40.6135.5136.8-46.1-28.8000122
321L28.2Very low26.2Very low150 Ų150140 Ų14079%0.78578%0.775SS**  -172.7122.594.2-88.9174.2000113.2
322T24.8Very low26.2Very low121 Ų121139.5 Ų139.574%0.74278%0.777SS**  trans62.3116.9140.344.20000121.4
323S29.5Very low26.2Very low108 Ų108137 Ų13776%0.75578%0.778SS**  97.5138.769.9-139.60000109.9
324E26.1Very low26.3Very low170 Ų170140.1 Ų140.179%0.79479%0.789SS**  cis-149.9133.724.8-72.9174.3107.900108.2
325Q26.6Very low26.5Very low168 Ų168134.8 Ų134.879%0.78579%0.786SS**  71.9114.779.9-166.7174.96.300116.5
326M23.5Very low26.1Very low170 Ų170136.5 Ų136.584%0.83778%0.781SS**  -170.4117.7122.5-102.5-162.8121.400111.3
327Q26.1Very low25.8Very low195 Ų195139.7 Ų139.791%0.91179%0.789SS**  trans-146.1136.4150.4-153.1174.92000107.6
328E23Very low26.2Very low158 Ų158137.5 Ų137.574%0.73878%0.779SS**  trans-110.4122.8-173.9-170.1162.8-154.500109.9
329S25.1Very low26.5Very low99 Ų99140.3 Ų140.369%0.69278%0.778SS**  trans48.7141.8136.9-63.80000120.6
330T25.6Very low26.8Very low126 Ų126138.7 Ų138.777%0.77377%0.765SS**  cis-173.9148.124.64.80000111.4
331R26.4Very low27.1Very low238 Ų238139.8 Ų139.890%0.89877%0.765SS**  trans13.6153.7135.9-104.3178.9171.2163-3.3120.3
332S25.3Very low27.2Very low110 Ų110141.3 Ų141.377%0.76977%0.765SS**  cis-177.7159.72153.30000112.9
333G25Very low27.2Very low79 Ų79140.5 Ų140.581%0.81477%0.765SS**  trans87.1151.8144.900000117.1
334S24.1Very low26.9Very low124 Ų124146.8 Ų146.887%0.86777%0.772SS**  cis174125.8-7.6152.50000106.6
335G26.6Very low27.3Very low78 Ų78143.7 Ų143.780%0.80477%0.769SS**  trans73.1156.4161.200000117.6
336H26.7Very low27.7Very low149 Ų149141.6 Ų141.669%0.6977%0.77SS**  cis-179.5144.4-12.9-177.319.4000105.4E338H336-E338 IonicContact CE1-OE1 3.04Å; H336-E338 PolarHBondContact CE1-OE1 2.86Å
337M29Very low28.1Very low170 Ų170138.3 Ų138.384%0.83776%0.763SS**  trans152.7103.6150.2-85.4-179.273.800107.4
338E33.2Very low28.2Very low144 Ų144136.9 Ų136.967%0.67376%0.762SS**  51.7130.774.4-79.3-179.5-174.600113.2H336H336-E338 IonicContact CE1-OE1 3.04Å; H336-E338 PolarHBondContact CE1-OE1 2.86Å
339D29.6Very low28.5Very low124 Ų124134.2 Ų134.266%0.66376%0.761SS**  cis-171.8162.90.9-149.80.4000110.7
340L35.3Very low28.6Very low94 Ų94138.9 Ų138.949%0.49277%0.769SS.*  trans51.5139.8148.7-72.1158000121.5K342L340-K342 HydrophobicContact CD2-CD 4.3Å
341H30.2Very low28.5Very low160 Ų160138.7 Ų138.774%0.74177%0.768SS**  cis-152.9131.244.4-72.8-91.7000110.7
342K29.1Very low28.4Very low182 Ų182133.1 Ų133.179%0.79176%0.76SS**  48.212994.5-93.1171.2179169.90113.6L340L340-K342 HydrophobicContact CD2-CD 4.3Å
343S24.7Very low28.5Very low104 Ų104135.4 Ų135.473%0.72776%0.762SS**  cis-177.2130.734.439.60000109
344R24.2Very low28.7Very low241 Ų241138.5 Ų138.591%0.90976%0.756SS**  88.2110.496.2-168.1173.2-171.7-165.44.7114.9
345S33.2Very low28.9Very low105 Ų105138.5 Ų138.573%0.73475%0.753SS**  trans-70163.6157.7-37.80000111.9
346P36.7Very low29Very low124 Ų124143.3 Ų143.381%0.80575%0.752SS**  trans-133.8137.7134.734.4-20.9000113
347S31.4Very low29.2Very low100 Ų100140.6 Ų140.670%0.69976%0.755SS**  trans-66.9149.7155.339.70000111.4
348D28.7Very low28.9Very low165 Ų165139.2 Ų139.288%0.88275%0.751SS**  trans-170.4147.2135-93.5-23000113.1
349S27.7Very low29.4Very low102 Ų102140.1 Ų140.171%0.71376%0.76SS**  trans-93152.9-171.752.60000114.8
350K27.9Very low29.8Very low197 Ų197142 Ų14286%0.85777%0.765SS**  trans178.4112.7133-107173173171.70114.5
351T24.4Very low29.6Very low123 Ų123144.5 Ų144.576%0.75578%0.777SS**  29.9131128.39.60000123
352V24.4Very low29.6Very low121 Ų121145 Ų14573%0.73378%0.78SS**  137.7134.8121.11740000115.2
353L27.3Very low29.7Very low157 Ų157146.7 Ų146.782%0.82278%0.783SS**  trans86.599.5158-84.3156.5000119.9
354E28.6Very low30Very low144 Ų144146 Ų14667%0.67378%0.784SS**  trans-66.5153.1141.8-92.3-151.5152.800111.4F356E354-F356 WeakPolarHBondContact OE2-CD2 3.49Å; E354-F356 WeakPolarHBondContact OE2-CE2 3.41Å
355P28.3Very low30.3Very low124 Ų124141.2 Ų141.281%0.80577%0.766SS**  -132.2133.312716.63.7000113.3
356F28.9Very low30.4Very low180 Ų180140.7 Ų140.779%0.78976%0.76SS**  trans-67.4130160.8-92.2-101.1000111E354E354-F356 WeakPolarHBondContact OE2-CD2 3.49Å; E354-F356 WeakPolarHBondContact OE2-CE2 3.41Å
357A30Very low30.5Very low92 Ų92144.1 Ų144.176%0.7677%0.765SS**  trans-178.6131.3131.100000112.8
358D24.3Very low30.9Very low141 Ų141145.1 Ų145.175%0.75476%0.762SS**  trans65.8105.7143.4-85.1-28.5000124H360D358-H360 PolarHBondContact O-N 3.37Å
359L43Very low31.5Very low162 Ų162145 Ų14585%0.84876%0.762SS**  26.379117.8-80.1141.3000118
360H37.1Very low32.2Very low165 Ų165144.3 Ų144.376%0.76476%0.755SS**  trans-166.298.4137.8-131.3-92.7000110.3D358D358-H360 PolarHBondContact O-N 3.37Å
361L31.3Very low32.9Very low145 Ų145140.1 Ų140.176%0.75974%0.741SS**  trans-136.8107.2163.6-97.9114000111.2Y363L361-Y363 PolarHBondContact O-N 2.91Å
362Q31.2Very low34.3Very low172 Ų172138.6 Ų138.680%0.80475%0.75SS**  trans-51117153.8-73.2168.90.700108.4A364Q362-A364 VanDerWaalsContact C-N 3.31Å; Q362-A364 PolarHBondContact O-N 2.68Å
363Y29.8Very low36.2Very low216 Ų216135 Ų13585%0.84773%0.73SS**  trans-77.681.7178.1-70.9-79.9000110.9L361 R365L361-Y363 PolarHBondContact O-N 2.91Å; Y363-R365 VanDerWaalsContact C-N 3.29Å; Y363-R365 PolarHBondContact O-N 3.46Å
364A31.8Very low38.9Very low91 Ų91128.6 Ų128.675%0.75270%0.698SS**  trans-70.594.8146.200000106.6Q362 P366Q362-A364 VanDerWaalsContact C-N 3.31Å; Q362-A364 PolarHBondContact O-N 2.68Å; A364-P366 WeakPolarHBondContact O-CD 3.36Å
365R30.2Very low41.8Very low139 Ų139122.1 Ų122.153%0.52567%0.668SS.*  trans-70.7114-174.2-162.1175-165173.5-0.9109.9Y363 E476Y363-R365 VanDerWaalsContact C-N 3.29Å; Y363-R365 PolarHBondContact O-N 3.46Å; R365-E476 IonicContact CZ-OE1 3.65Å; R365-E476 IonicContact CZ-OE2 2.98Å; R365-E476 IonicContact NE-OE1 3.9Å; R365-E476 IonicContact NE-OE2 3.56Å; R365-E476 IonicContact NH1-OE1 3.36Å; R365-E476 PolarHBondContact NH1-OE1 2.89Å; R365-E476 IonicContact NH1-OE2 3.98Å; R365-E476 IonicContact NH2-OE1 3.27Å; R365-E476 PolarHBondContact NH2-OE1 3.34Å; R365-E476 IonicContact NH2-OE2 2.74Å; R365-E476 PolarHBondContact NH2-OE2 3.48Å
366P35.7Very low44.9Very low95 Ų95121.1 Ų121.162%0.61765%0.651SS**  trans-69.2137.7170.7-11.829.5000108.3A364 L368A364-P366 WeakPolarHBondContact O-CD 3.36Å; P366-L368 VanDerWaalsContact C-N 3.29Å; P366-L368 PolarHBondContact O-N 3.28Å
367Q37.8Very low47.9Very low195 Ų195112.8 Ų112.891%0.91161%0.614SS**  trans-57.892.9165.9-74.1-92.712.600108.6N369Q367-N369 PolarHBondContact O-N 2.84Å; Q367-N369 VanDerWaalsContact O-N 3.1Å
368L40Very low50.6Low121 Ų121110.4 Ų110.463%0.63460%0.595SS**  trans-75.196.3177.1-74.9154.2000108.3P366 P370P366-L368 VanDerWaalsContact C-N 3.29Å; P366-L368 PolarHBondContact O-N 3.28Å; L368-P370 HydrophobicContact CB-CG 3.69Å; L368-P370 HydrophobicContact CD2-CB 4.39Å; L368-P370 HydrophobicContact CD2-CG 3.3Å; L368-P370 HydrophobicContact CG-CG 4.08Å
369N42.5Very low53.5Low163 Ų163104.8 Ų104.887%0.87257%0.568SS**  trans-11175.5145.6-87.6-15.8000108Q367Q367-N369 PolarHBondContact O-N 2.84Å; Q367-N369 VanDerWaalsContact O-N 3.1Å
370P41Very low55.5Low88 Ų8899 Ų9957%0.57154%0.539SS*.  trans-102.5-0.4-171.76.518.2000113.2L368L368-P370 HydrophobicContact CB-CG 3.69Å; L368-P370 HydrophobicContact CD2-CB 4.39Å; L368-P370 HydrophobicContact CD2-CG 3.3Å; L368-P370 HydrophobicContact CG-CG 4.08Å
371L43.3Very low57.5Low109 Ų10992.3 Ų92.357%0.57151%0.511SS*.SBendtrans-139.8138.6-177.2-64.4168.4000106.8C373L371-C373 PolarHBondContact O-N 2.99Å
372G53.8Low59.5Low91 Ų9191.5 Ų91.594%0.93850%0.498SS*.  trans-64.348.6177.600000113.8C374G372-C374 PolarHBondContact O-N 3.09Å
373C65.3Low61.2Low45 Ų4593 Ų9330%0.30450%0.497SS..  trans-72.9113178.5-60.60000107.3L371 L375 L474L371-C373 PolarHBondContact O-N 2.99Å; C373-L375 PolarHBondContact O-N 3.21Å; C373-L474 HydrophobicContact CB-CD2 4.47Å; C373-L474 VanDerWaalsContact SG-CD2 3.57Å
374C83Confident63.1Low23 Ų2388.2 Ų88.216%0.15548%0.482CS..  trans-71.7-7.3177.150.80000112.9G372 N391 Q392 V398G372-C374 PolarHBondContact O-N 3.09Å; C374-N391 CarbonylContact O-C 3.55Å; C374-Q392 WeakPolarHBondContact O-CA 3.31Å; C374-Q392 VanDerWaalsContact O-CB 3.27Å; C374-Q392 WeakPolarHBondContact O-CB 3.34Å; C374-Q392 WeakPolarHBondContact O-CG 3.46Å; C374-Q392 PolarHBondContact O-N 3.14Å; C374-V398 WeakPolarHBondContact SG-CG2 3.38Å
375L90.5Very high65.4Low8 Ų888.7 Ų88.74%0.04246%0.464CS..EExtended strand (participates in β ladder)trans-92.5130.6-179.1-62.7177000112.3C373 N391 V398 L400 F403 L425 L466 L474C373-L375 PolarHBondContact O-N 3.21Å; L375-N391 HydrophobicContact CD2-CB 3.93Å; L375-V398 HydrophobicContact CD1-CG1 3.8Å; L375-V398 HydrophobicContact CD2-CB 4.17Å; L375-V398 HydrophobicContact CD2-CG1 4.33Å; L375-V398 HydrophobicContact CD2-CG2 4.18Å; L375-V398 HydrophobicContact CG-CG1 4.23Å; L375-V398 HydrophobicContact CG-CG2 4.4Å; L375-L400 HydrophobicContact CD1-CD2 3.38Å; L375-L400 HydrophobicContact CD2-CD2 4.11Å; L375-L400 HydrophobicContact CG-CD2 4.39Å; L375-F403 HydrophobicContact CD1-CD2 4.27Å; L375-F403 HydrophobicContact CD1-CE2 3.7Å; L375-L425 HydrophobicContact CD2-CD2 3.97Å; L375-L466 HydrophobicContact CB-CD2 4.11Å; L375-L466 HydrophobicContact CD1-CD2 4.11Å; L375-L474 HydrophobicContact CD1-CD1 4.2Å
376K92.1Very high68Low102 Ų10283.3 Ų83.344%0.44345%0.445SS..EExtended strand (participates in β ladder)trans-132.7134.6177-175.8176.5-178.1174.40112.1A378 I389 L390 Q392K376-A378 PolarHBondContact O-N 3.36Å; K376-I389 CarbonylContact O-C 3.49Å; K376-I389 WeakPolarHBondContact O-CA 3.16Å; K376-L390 PolarHBondContact N-O 3.29Å; K376-L390 PolarHBondContact O-N 3.39Å; K376-Q392 HydrophobicContact CB-CG 3.97Å
377I91.3Very high70.5Confident6 Ų678.8 Ų78.83%0.03142%0.416CS..EExtended strand (participates in β ladder)trans-69.8103.6164.4-59.9165.8000107.9V380 I387 R388 L405 T464 L466 S475 H477I377-V380 HydrophobicContact CG2-CG2 3.66Å; I377-I387 HydrophobicContact CG2-CG2 4.07Å; I377-R388 CarbonylContact C-O 3.58Å; I377-L405 HydrophobicContact CD1-CD1 4.33Å; I377-T464 HydrophobicContact CD1-CG2 3.99Å; I377-T464 WeakPolarHBondContact CD1-O 3.48Å; I377-L466 HydrophobicContact CD1-CB 4.19Å; I377-L466 HydrophobicContact CG1-CB 4.36Å; I377-S475 PolarHBondContact N-OG 3.3Å; I377-H477 HydrophobicContact CB-CB 3.98Å; I377-H477 HydrophobicContact CD1-CB 4.15Å; I377-H477 HydrophobicContact CG2-CB 3.62Å
378A87.1Confident73.1Confident42 Ų4274.1 Ų74.135%0.34739%0.39SS..EExtended strand (participates in β ladder)trans-84.9-31.1-172.600000112.8K376 R388 L390K376-A378 PolarHBondContact O-N 3.36Å; A378-R388 PolarHBondContact N-O 3.27Å; A378-L390 HydrophobicContact CB-CB 3.89Å
379A85.4Confident75.6Confident23 Ų2368.3 Ų68.319%0.1936%0.359CS..EExtended strand (participates in β ladder)trans-156.3142.217700000111.1F386 R388A379-F386 HydrophobicContact CB-CE2 4.16Å; A379-R388 HydrophobicContact CB-CB 4.29Å; A379-R388 PolarHBondContact N-O 2.83Å; A379-R388 PolarHBondContact O-N 2.94Å
380V85.1Confident78Confident39 Ų3962.7 Ų62.724%0.23633%0.329CS..EExtended strand (participates in β ladder)trans-124.4113166.9178.20000106.8I377 I387 H477I377-V380 HydrophobicContact CG2-CG2 3.66Å; V380-I387 HydrophobicContact CG1-CG1 4.06Å; V380-I387 HydrophobicContact CG2-CG1 4.16Å; V380-I387 HydrophobicContact CG2-CG2 4.12Å; V380-H477 HydrophobicContact CG2-CB 4.15Å; V380-H477 WeakPolarHBondContact CG2-CD2 3.48Å
381S79.1Confident80.5Confident25 Ų2558.5 Ų58.518%0.17530%0.302CS..EExtended strand (participates in β ladder)trans-101.4113.8176.4-175.10000109.7E384 R385 F386S381-E384 WeakPolarHBondContact OG-CB 3.26Å; S381-E384 PolarHBondContact OG-N 2.95Å; S381-E384 VanDerWaalsContact OG-N 3.11Å; S381-R385 WeakPolarHBondContact O-CA 3.25Å; S381-R385 PolarHBondContact O-N 3.39Å; S381-F386 PolarHBondContact N-O 2.91Å; S381-F386 PolarHBondContact O-N 3.16Å; S381-F386 VanDerWaalsContact O-N 3.11Å
382Y72.4Confident82.8Confident128 Ų12857.5 Ų57.550%0.50229%0.294SS..THydrogen-bonded Turntrans-77.4-25.3175.666.6-96.1000112.4S458Y382-S458 WeakPolarHBondContact CB-OG 3.09Å; Y382-S458 VanDerWaalsContact CD2-OG 3.27Å; Y382-S458 WeakPolarHBondContact CD2-OG 3.17Å
383R68.9Low84.4Confident204 Ų20454.1 Ų54.177%0.7726%0.256SS*.THydrogen-bonded Turntrans-77.4-47.6176.8-66.9-173174.3-132.3-0.8112.1R385R383-R385 VanDerWaalsContact C-N 3.32Å
384E68.4Low85.3Confident116 Ų11660.5 Ų60.554%0.54228%0.281SS..THydrogen-bonded Turntrans-94.24.6-176.1-62.4174.9-155.600112.1S381 F386S381-E384 WeakPolarHBondContact OG-CB 3.26Å; S381-E384 PolarHBondContact OG-N 2.95Å; S381-E384 VanDerWaalsContact OG-N 3.11Å; E384-F386 HydrophobicContact CB-CD1 3.53Å; E384-F386 HydrophobicContact CB-CE1 3.7Å; E384-F386 HydrophobicContact CG-CE1 4.45Å; E384-F386 PolarHBondContact O-N 2.81Å; E384-F386 VanDerWaalsContact OE2-CE1 3.25Å; E384-F386 WeakPolarHBondContact OE2-CE1 3.38Å
385R79.8Confident85.3Confident100 Ų10063.7 Ų63.738%0.37731%0.309SS..THydrogen-bonded Turntrans52.749.9173.7-57.6-96.5-169150.311.7112S381 R383 G435 F456S381-R385 WeakPolarHBondContact O-CA 3.25Å; S381-R385 PolarHBondContact O-N 3.39Å; R383-R385 VanDerWaalsContact C-N 3.32Å; R385-G435 PolarHBondContact O-N 2.84Å; R385-F456 PolarHBondContact NH1-O 2.95Å; R385-F456 VanDerWaalsContact NH1-O 3.12Å
386F85.1Confident85.3Confident26 Ų2668.9 Ų68.911%0.11433%0.334CS..EExtended strand (participates in β ladder)trans-136.6156.117877.6-102.1000113.2A379 S381 E384 R388 T432 V433 W434A379-F386 HydrophobicContact CB-CE2 4.16Å; S381-F386 PolarHBondContact N-O 2.91Å; S381-F386 PolarHBondContact O-N 3.16Å; S381-F386 VanDerWaalsContact O-N 3.11Å; E384-F386 HydrophobicContact CB-CD1 3.53Å; E384-F386 HydrophobicContact CB-CE1 3.7Å; E384-F386 HydrophobicContact CG-CE1 4.45Å; E384-F386 PolarHBondContact O-N 2.81Å; E384-F386 VanDerWaalsContact OE2-CE1 3.25Å; E384-F386 WeakPolarHBondContact OE2-CE1 3.38Å; F386-R388 HydrophobicContact CD2-CB 4.26Å; F386-R388 HydrophobicContact CE2-CB 4.11Å; F386-T432 HydrophobicContact CB-CG2 3.72Å; F386-T432 HydrophobicContact CD2-CG2 3.64Å; F386-T432 HydrophobicContact CG-CG2 3.86Å; F386-V433 CarbonylContact C-O 3.54Å; F386-V433 VanDerWaalsContact CA-O 3.25Å; F386-V433 WeakPolarHBondContact CA-O 3.4Å; F386-W434 HydrophobicContact CB-CD2 3.93Å; F386-W434 HydrophobicContact CB-CE3 3.51Å; F386-W434 HydrophobicContact CB-CH2 4.3Å; F386-W434 HydrophobicContact CB-CZ3 3.72Å; F386-W434 HydrophobicContact CD1-CE3 4.23Å; F386-W434 AromaticContact CD1-CH2 3.82Å; F386-W434 HydrophobicContact CD1-CH2 3.82Å; F386-W434 AromaticContact CD1-CZ3 3.53Å; F386-W434 HydrophobicContact CD1-CZ3 3.53Å; F386-W434 HydrophobicContact CE1-CH2 4.46Å; F386-W434 HydrophobicContact CE1-CZ3 4.48Å; F386-W434 HydrophobicContact CG-CE3 4.24Å; F386-W434 HydrophobicContact CG-CH2 4.18Å; F386-W434 AromaticContact CG-CZ3 3.92Å; F386-W434 HydrophobicContact CG-CZ3 3.92Å
387I89.2Confident85.2Confident1 Ų167.5 Ų67.51%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-126126.9171.5-60.7169000108.4I377 V380 L405 T432 V433 F456 T464I377-I387 HydrophobicContact CG2-CG2 4.07Å; V380-I387 HydrophobicContact CG1-CG1 4.06Å; V380-I387 HydrophobicContact CG2-CG1 4.16Å; V380-I387 HydrophobicContact CG2-CG2 4.12Å; I387-L405 HydrophobicContact CB-CD2 3.94Å; I387-L405 HydrophobicContact CD1-CD2 3.46Å; I387-L405 VanDerWaalsContact CD1-CD2 3.46Å; I387-L405 HydrophobicContact CD1-CG 4.22Å; I387-L405 HydrophobicContact CG1-CD2 4.28Å; I387-L405 HydrophobicContact CG2-CD1 4.21Å; I387-L405 HydrophobicContact CG2-CD2 3.84Å; I387-T432 CarbonylContact O-C 3.51Å; I387-T432 WeakPolarHBondContact O-CA 3.48Å; I387-V433 PolarHBondContact N-O 3.3Å; I387-V433 PolarHBondContact O-N 3.42Å; I387-F456 HydrophobicContact CD1-CD1 3.49Å; I387-F456 VanDerWaalsContact CD1-CD1 3.49Å; I387-F456 HydrophobicContact CD1-CE1 3.36Å; I387-F456 HydrophobicContact CD1-CE2 4.48Å; I387-F456 HydrophobicContact CD1-CG 4.16Å; I387-F456 HydrophobicContact CD1-CZ 3.9Å; I387-F456 HydrophobicContact CG1-CD1 4.35Å; I387-F456 HydrophobicContact CG1-CE1 4.3Å; I387-F456 HydrophobicContact CG1-CZ 4.45Å; I387-T464 HydrophobicContact CD1-CG2 3.8Å; I387-T464 HydrophobicContact CG2-CG2 4.38Å
388R91.4Very high85.1Confident96 Ų9668.1 Ų68.136%0.36234%0.338SS..EExtended strand (participates in β ladder)trans-111.4125.6-179.4-173.2172.164.1179.71110.4I377 A378 A379 F386 H430 I431I377-R388 CarbonylContact C-O 3.58Å; A378-R388 PolarHBondContact N-O 3.27Å; A379-R388 HydrophobicContact CB-CB 4.29Å; A379-R388 PolarHBondContact N-O 2.83Å; A379-R388 PolarHBondContact O-N 2.94Å; F386-R388 HydrophobicContact CD2-CB 4.26Å; F386-R388 HydrophobicContact CE2-CB 4.11Å; R388-H430 VanDerWaalsContact CD-CD2 3.43Å; R388-H430 WeakPolarHBondContact CD-CD2 3.46Å; R388-H430 HydrophobicContact CG-CB 3.96Å; R388-I431 CarbonylContact C-O 3.6Å; R388-I431 WeakPolarHBondContact CA-O 3.22Å
389I93.6Very high85.3Confident0 Ų069.8 Ų69.80%034%0.341CS..EExtended strand (participates in β ladder)trans-111.7130.2178-55.2171.2000107.8K376 L405 F419 H430 I431 L466K376-I389 CarbonylContact O-C 3.49Å; K376-I389 WeakPolarHBondContact O-CA 3.16Å; I389-L405 HydrophobicContact CD1-CD1 4.35Å; I389-F419 HydrophobicContact CD1-CE1 4.49Å; I389-F419 HydrophobicContact CD1-CE2 3.95Å; I389-F419 HydrophobicContact CD1-CZ 3.46Å; I389-F419 VanDerWaalsContact CD1-CZ 3.46Å; I389-H430 CarbonylContact O-C 3.54Å; I389-H430 WeakPolarHBondContact O-CA 3.27Å; I389-H430 VanDerWaalsContact O-CB 3.3Å; I389-H430 WeakPolarHBondContact O-CB 3.39Å; I389-I431 HydrophobicContact CB-CG2 3.95Å; I389-I431 PolarHBondContact N-O 3.35Å; I389-I431 PolarHBondContact O-N 3.26Å; I389-L466 HydrophobicContact CD1-CD1 3.99Å; I389-L466 HydrophobicContact CD1-CD2 4.22Å; I389-L466 HydrophobicContact CG2-CD2 4.01Å
390L92.3Very high85.6Confident45 Ų4568.7 Ų68.724%0.23633%0.332CS..EExtended strand (participates in β ladder)trans-111.8130.6179.6175.568.4000109.2K376 A378 Q392 H430K376-L390 PolarHBondContact N-O 3.29Å; K376-L390 PolarHBondContact O-N 3.39Å; A378-L390 HydrophobicContact CB-CB 3.89Å; L390-Q392 HydrophobicContact CD2-CG 4.16Å; L390-Q392 HydrophobicContact CG-CG 4.25Å; L390-Q392 PolarHBondContact O-N 2.66Å; L390-H430 HydrophobicContact CD1-CB 4.19Å
391N93.4Very high85.8Confident0 Ų067.7 Ų67.70%033%0.329CS..EExtended strand (participates in β ladder)trans-83.1108162.5-178.6-0.1000108.7C374 L375 S393 E396 L425 A426 Q428 H429C374-N391 CarbonylContact O-C 3.55Å; L375-N391 HydrophobicContact CD2-CB 3.93Å; N391-S393 VanDerWaalsContact C-N 3.28Å; N391-S393 WeakPolarHBondContact OD1-CA 3.5Å; N391-S393 WeakPolarHBondContact OD1-CB 3.32Å; N391-S393 PolarHBondContact OD1-N 3.09Å; N391-E396 PolarHBondContact ND2-O 3.45Å; N391-L425 HydrophobicContact CB-CD2 3.71Å; N391-L425 HydrophobicContact CB-CG 3.76Å; N391-L425 PolarHBondContact ND2-O 2.94Å; N391-A426 WeakPolarHBondContact CB-O 3.33Å; N391-A426 PolarHBondContact ND2-O 3.17Å; N391-Q428 WeakPolarHBondContact O-CA 3.41Å; N391-Q428 PolarHBondContact O-N 3.09Å; N391-H429 PolarHBondContact N-O 3.17Å
392Q91.1Very high86.1Confident88 Ų8867.1 Ų67.141%0.41133%0.328SS..  trans-81-3.3177-50.3-166.8-56.200113.2C374 K376 L390 Q428C374-Q392 WeakPolarHBondContact O-CA 3.31Å; C374-Q392 VanDerWaalsContact O-CB 3.27Å; C374-Q392 WeakPolarHBondContact O-CB 3.34Å; C374-Q392 WeakPolarHBondContact O-CG 3.46Å; C374-Q392 PolarHBondContact O-N 3.14Å; K376-Q392 HydrophobicContact CB-CG 3.97Å; L390-Q392 HydrophobicContact CD2-CG 4.16Å; L390-Q392 HydrophobicContact CG-CG 4.25Å; L390-Q392 PolarHBondContact O-N 2.66Å; Q392-Q428 PolarHBondContact O-NE2 3.18Å
393S88.1Confident87Confident20 Ų2062.2 Ų62.214%0.1431%0.309CS..  trans-61.8146.2175-168.90000110.1N391 A395 E396 P427 Q428N391-S393 VanDerWaalsContact C-N 3.28Å; N391-S393 WeakPolarHBondContact OD1-CA 3.5Å; N391-S393 WeakPolarHBondContact OD1-CB 3.32Å; N391-S393 PolarHBondContact OD1-N 3.09Å; S393-A395 PolarHBondContact OG-N 3.15Å; S393-E396 VanDerWaalsContact OG-CB 3.24Å; S393-E396 WeakPolarHBondContact OG-CB 3.41Å; S393-E396 PolarHBondContact OG-N 2.96Å; S393-P427 WeakPolarHBondContact O-CA 3.34Å; S393-P427 VanDerWaalsContact O-CB 3.27Å; S393-P427 WeakPolarHBondContact O-CB 3.4Å; S393-Q428 PolarHBondContact O-N 3.37Å; S393-Q428 VanDerWaalsContact O-N 3.14Å; S393-Q428 PolarHBondContact O-NE2 2.97Å
394Q83.3Confident88.1Confident178 Ų17853.6 Ų53.683%0.83228%0.279SS*.SBendtrans-89.3-20.5175.3-63.4-177.413.500112.3
395A82.9Confident89.2Confident90 Ų9048.2 Ų48.274%0.74425%0.254SS*.SBendtrans-139.1-21.5-172.800000114.8S393 P427S393-A395 PolarHBondContact OG-N 3.15Å; A395-P427 WeakPolarHBondContact O-CG 3.42Å
396E90.4Very high89.7Confident117 Ų11747.6 Ų47.655%0.54725%0.252SS..PPolyproline II helixtrans-95.5125.8-172.8-168.8-178.5-172.400112.7N391 S393N391-E396 PolarHBondContact ND2-O 3.45Å; S393-E396 VanDerWaalsContact OG-CB 3.24Å; S393-E396 WeakPolarHBondContact OG-CB 3.41Å; S393-E396 PolarHBondContact OG-N 2.96Å
397T90.2Very high89.8Confident74 Ų7446.7 Ų46.745%0.45425%0.248SC..PPolyproline II helixtrans-83.8127.1167.6-61.40000108.9L424 L425T397-L424 HydrophobicContact CG2-CB 4.03Å; T397-L425 WeakPolarHBondContact CA-O 3.38Å
398V90.6Very high89.5Confident19 Ų1948.6 Ų48.612%0.11526%0.256CS..EExtended strand (participates in β ladder)trans-102.9130.3-178.6-175.30000110.2C374 L375 L400 F403 L425C374-V398 WeakPolarHBondContact SG-CG2 3.38Å; L375-V398 HydrophobicContact CD1-CG1 3.8Å; L375-V398 HydrophobicContact CD2-CB 4.17Å; L375-V398 HydrophobicContact CD2-CG1 4.33Å; L375-V398 HydrophobicContact CD2-CG2 4.18Å; L375-V398 HydrophobicContact CG-CG1 4.23Å; L375-V398 HydrophobicContact CG-CG2 4.4Å; V398-L400 HydrophobicContact CG1-CD2 4.38Å; V398-F403 HydrophobicContact CG1-CZ 4.48Å; V398-L425 PolarHBondContact N-O 3.41Å; V398-L425 PolarHBondContact O-N 3.33Å
399D91.4Very high88.9Confident77 Ų7745.2 Ų45.241%0.41225%0.246SC..EExtended strand (participates in β ladder)trans-80.4116.1167.3-173.813.7000109.7G401 F403 T423 L424D399-G401 VanDerWaalsContact C-N 3.27Å; D399-G401 WeakPolarHBondContact OD1-CA 3.19Å; D399-G401 PolarHBondContact OD1-N 2.85Å; D399-F403 WeakPolarHBondContact O-CE1 3.44Å; D399-F403 WeakPolarHBondContact O-CZ 3.28Å; D399-T423 PolarHBondContact OD1-N 2.91Å; D399-L424 HydrophobicContact CB-CD2 3.78Å
400L90.1Very high88Confident0 Ų053.5 Ų53.50%028%0.282CS..  trans-84.9-1.7174.2-59.8177.4000111.9L375 V398 G402 F403 F419 T423 L425 I431L375-L400 HydrophobicContact CD1-CD2 3.38Å; L375-L400 HydrophobicContact CD2-CD2 4.11Å; L375-L400 HydrophobicContact CG-CD2 4.39Å; V398-L400 HydrophobicContact CG1-CD2 4.38Å; L400-G402 PolarHBondContact O-N 2.86Å; L400-F403 HydrophobicContact CD2-CD2 3.96Å; L400-F403 HydrophobicContact CD2-CE2 4.12Å; L400-F403 HydrophobicContact CD2-CG 4.49Å; L400-F403 WeakPolarHBondContact O-CB 3.49Å; L400-F403 VanDerWaalsContact O-CD1 3.26Å; L400-F403 WeakPolarHBondContact O-CD1 3.46Å; L400-F403 WeakPolarHBondContact O-CG 3.36Å; L400-F403 PolarHBondContact O-N 3.18Å; L400-F419 HydrophobicContact CB-CB 4.21Å; L400-F419 HydrophobicContact CB-CD1 4.17Å; L400-F419 HydrophobicContact CB-CD2 4.43Å; L400-F419 HydrophobicContact CB-CG 4Å; L400-F419 HydrophobicContact CD1-CD1 4.28Å; L400-F419 HydrophobicContact CD1-CE1 4.16Å; L400-F419 WeakPolarHBondContact O-CB 3.15Å; L400-T423 HydrophobicContact CB-CG2 4.1Å; L400-T423 WeakPolarHBondContact CB-O 3.35Å; L400-T423 HydrophobicContact CD1-CG2 4.25Å; L400-T423 PolarHBondContact N-O 2.99Å; L400-L425 HydrophobicContact CD1-CB 3.97Å; L400-L425 HydrophobicContact CD1-CD2 4Å; L400-L425 HydrophobicContact CG-CB 4.22Å; L400-I431 HydrophobicContact CD1-CG2 3.86Å
401G89.9Confident87.2Confident17 Ų1758.4 Ų58.418%0.17531%0.308CS..THydrogen-bonded Turntrans-48.7120.6-179.900000113D399 F403 P420D399-G401 VanDerWaalsContact C-N 3.27Å; D399-G401 WeakPolarHBondContact OD1-CA 3.19Å; D399-G401 PolarHBondContact OD1-N 2.85Å; G401-F403 PolarHBondContact O-N 2.9Å; G401-P420 WeakPolarHBondContact CA-O 3.35Å
402G85.9Confident86.2Confident14 Ų1465.5 Ų65.514%0.14434%0.339CS..THydrogen-bonded Turntrans78.5-1.5179.500000115.5L400 F419L400-G402 PolarHBondContact O-N 2.86Å; G402-F419 PolarHBondContact N-O 3.41Å; G402-F419 VanDerWaalsContact N-O 3.09Å
403F91.6Very high85.5Confident24 Ų2465.2 Ų65.211%0.10535%0.345CS..  trans-66.4153171.4-71.841.2000108.9L375 V398 D399 L400 G401 R418 F419 L466 V467 N468 P469 L474L375-F403 HydrophobicContact CD1-CD2 4.27Å; L375-F403 HydrophobicContact CD1-CE2 3.7Å; V398-F403 HydrophobicContact CG1-CZ 4.48Å; D399-F403 WeakPolarHBondContact O-CE1 3.44Å; D399-F403 WeakPolarHBondContact O-CZ 3.28Å; L400-F403 HydrophobicContact CD2-CD2 3.96Å; L400-F403 HydrophobicContact CD2-CE2 4.12Å; L400-F403 HydrophobicContact CD2-CG 4.49Å; L400-F403 WeakPolarHBondContact O-CB 3.49Å; L400-F403 VanDerWaalsContact O-CD1 3.26Å; L400-F403 WeakPolarHBondContact O-CD1 3.46Å; L400-F403 WeakPolarHBondContact O-CG 3.36Å; L400-F403 PolarHBondContact O-N 3.18Å; G401-F403 PolarHBondContact O-N 2.9Å; F403-R418 WeakPolarHBondContact O-CA 3.1Å; F403-F419 HydrophobicContact CB-CD2 3.81Å; F403-F419 WeakPolarHBondContact O-CD2 3.41Å; F403-F419 PolarHBondContact O-N 3.38Å; F403-L466 HydrophobicContact CB-CD1 4.35Å; F403-L466 HydrophobicContact CD2-CD1 4.43Å; F403-V467 CarbonylContact C-O 3.6Å; F403-V467 WeakPolarHBondContact CA-O 3.5Å; F403-N468 HydrophobicContact CE2-CB 4.36Å; F403-N468 HydrophobicContact CZ-CB 4.33Å; F403-P469 VanDerWaalsContact CD1-CD 3.48Å; F403-P469 HydrophobicContact CD1-CG 3.94Å; F403-P469 HydrophobicContact CE1-CG 4.19Å; F403-L474 HydrophobicContact CD2-CD1 3.75Å; F403-L474 HydrophobicContact CE2-CD1 3.21Å; F403-L474 HydrophobicContact CZ-CD1 4.11Å
404V91.4Very high84.9Confident24 Ų2466.8 Ų66.815%0.14535%0.354CS..EExtended strand (participates in β ladder)trans-126.8122.7-178.3-1730000109.9R406 M416 Y417 R418 V467V404-R406 HydrophobicContact CG1-CG 3.78Å; V404-M416 HydrophobicContact CG1-CB 4.21Å; V404-Y417 CarbonylContact C-O 3.56Å; V404-Y417 WeakPolarHBondContact CA-O 3.4Å; V404-R418 HydrophobicContact CG2-CB 4.42Å; V404-R418 HydrophobicContact CG2-CG 4.2Å; V404-V467 PolarHBondContact N-O 3.45Å; V404-V467 PolarHBondContact O-N 2.87Å
405L91.3Very high84.8Confident3 Ų358.9 Ų58.92%0.01632%0.318CS..EExtended strand (participates in β ladder)trans-84.6121.6166.6-167.568.9000108.2I377 I387 I389 M416 Y417 F419 F456 T464 M465 L466I377-L405 HydrophobicContact CD1-CD1 4.33Å; I387-L405 HydrophobicContact CB-CD2 3.94Å; I387-L405 HydrophobicContact CD1-CD2 3.46Å; I387-L405 VanDerWaalsContact CD1-CD2 3.46Å; I387-L405 HydrophobicContact CD1-CG 4.22Å; I387-L405 HydrophobicContact CG1-CD2 4.28Å; I387-L405 HydrophobicContact CG2-CD1 4.21Å; I387-L405 HydrophobicContact CG2-CD2 3.84Å; I389-L405 HydrophobicContact CD1-CD1 4.35Å; L405-M416 CarbonylContact O-C 3.57Å; L405-M416 VanDerWaalsContact O-CA 3.22Å; L405-M416 WeakPolarHBondContact O-CA 3.41Å; L405-Y417 PolarHBondContact N-O 2.89Å; L405-Y417 PolarHBondContact O-N 3.44Å; L405-F419 HydrophobicContact CB-CE2 4.48Å; L405-F456 HydrophobicContact CD2-CE1 4.24Å; L405-F456 HydrophobicContact CD2-CZ 4.36Å; L405-T464 HydrophobicContact CD1-CG2 3.69Å; L405-T464 HydrophobicContact CG-CG2 4.07Å; L405-M465 CarbonylContact C-O 3.54Å; L405-M465 WeakPolarHBondContact CA-O 3.45Å; L405-L466 HydrophobicContact CD1-CB 4.45Å; L405-L466 HydrophobicContact CD1-CD1 4.38Å
406R90Very high84.9Confident87 Ų8759.9 Ų59.933%0.32831%0.309SS..EExtended strand (participates in β ladder)trans-117.8131.8-179.2-60-174.8-177170.9-0.1109.9V404 F408 C415 M416 T464 M465 V467V404-R406 HydrophobicContact CG1-CG 3.78Å; R406-F408 HydrophobicContact CB-CD2 4.3Å; R406-F408 HydrophobicContact CB-CE2 3.5Å; R406-F408 HydrophobicContact CB-CZ 3.98Å; R406-C415 CarbonylContact C-O 3.55Å; R406-C415 WeakPolarHBondContact CA-O 3.38Å; R406-M416 HydrophobicContact CG-CG 4.3Å; R406-T464 CarbonylContact O-C 3.56Å; R406-T464 WeakPolarHBondContact O-CA 3.22Å; R406-M465 PolarHBondContact N-O 3.31Å; R406-M465 PolarHBondContact O-N 3.46Å; R406-V467 HydrophobicContact CG-CG2 4.3Å
407Q87.8Confident84.8Confident6 Ų656.9 Ų56.93%0.02829%0.293CS..EExtended strand (participates in β ladder)trans-114124.8176.6-166175.525.400108.8V414 C415 Q457 C462 V463Q407-V414 PolarHBondContact O-N 3.46Å; Q407-C415 HydrophobicContact CB-CB 3.94Å; Q407-C415 PolarHBondContact N-O 3.37Å; Q407-C415 PolarHBondContact O-N 2.82Å; Q407-Q457 PolarHBondContact NE2-O 3.49Å; Q407-Q457 VanDerWaalsContact OE1-N 3.12Å; Q407-C462 WeakPolarHBondContact CG-SG 3.45Å; Q407-C462 PolarHBondContact NE2-SG 3.3Å; Q407-V463 CarbonylContact C-O 3.56Å; Q407-V463 WeakPolarHBondContact CA-O 3.27Å
408F82.8Confident85Confident42 Ų4262 Ų6218%0.18430%0.304CS..EExtended strand (participates in β ladder)trans-114.1146.3-179.4-62.2-92.3000111.1R406 F412 P413 C462 V463 M465R406-F408 HydrophobicContact CB-CD2 4.3Å; R406-F408 HydrophobicContact CB-CE2 3.5Å; R406-F408 HydrophobicContact CB-CZ 3.98Å; F408-F412 CarbonylContact C-O 3.56Å; F408-F412 WeakPolarHBondContact CA-O 3.28Å; F408-P413 HydrophobicContact CD1-CB 3.99Å; F408-P413 HydrophobicContact CE1-CB 3.7Å; F408-P413 HydrophobicContact CE1-CG 4.32Å; F408-P413 HydrophobicContact CZ-CB 4.45Å; F408-C462 VanDerWaalsContact O-CA 3.3Å; F408-C462 WeakPolarHBondContact O-CA 3.09Å; F408-C462 PolarHBondContact O-SG 3.46Å; F408-V463 PolarHBondContact N-O 2.91Å; F408-V463 PolarHBondContact O-N 3.41Å; F408-M465 HydrophobicContact CD2-CG 4.41Å; F408-M465 HydrophobicContact CD2-SD 3.95Å; F408-M465 HydrophobicContact CE2-CG 4.37Å; F408-M465 HydrophobicContact CE2-SD 3.72Å
409V78.8Confident85Confident25 Ų2561.2 Ų61.215%0.15230%0.299CS..EExtended strand (participates in β ladder)trans-131.2117.7170.61800000107.2D411 F412 V414 S459 C462V409-D411 PolarHBondContact O-N 3.42Å; V409-F412 PolarHBondContact N-O 2.95Å; V409-F412 PolarHBondContact O-N 3.44Å; V409-F412 VanDerWaalsContact O-N 3.1Å; V409-V414 HydrophobicContact CB-CG2 3.7Å; V409-V414 HydrophobicContact CG2-CB 4.26Å; V409-V414 HydrophobicContact CG2-CG2 3.56Å; V409-S459 WeakPolarHBondContact CG1-OG 3.46Å; V409-S459 WeakPolarHBondContact CG2-OG 3.39Å; V409-C462 HydrophobicContact CG2-CB 4.29Å
410K74.9Confident85Confident173 Ų17360.8 Ų60.875%0.75230%0.3SS*.THydrogen-bonded Turntrans48.547.5-175.1-57.3179.7178.6-177.50111.9F412K410-F412 WeakPolarHBondContact O-CD2 3.29Å; K410-F412 WeakPolarHBondContact O-CE2 3.09Å; K410-F412 PolarHBondContact O-N 3.49Å; K410-F412 VanDerWaalsContact O-N 3.17Å
411D74.6Confident84.9Confident148 Ų14866.6 Ų66.679%0.79134%0.338SS*.THydrogen-bonded Turntrans68.82.1179.3-49-46.7000117.1V409V409-D411 PolarHBondContact O-N 3.42Å
412F73.1Confident84.7Confident149 Ų14968.5 Ų68.565%0.65436%0.358SS*.EExtended strand (participates in β ladder)trans-93131.8172-64.2-82000111.3F408 V409 K410 V414F408-F412 CarbonylContact C-O 3.56Å; F408-F412 WeakPolarHBondContact CA-O 3.28Å; V409-F412 PolarHBondContact N-O 2.95Å; V409-F412 PolarHBondContact O-N 3.44Å; V409-F412 VanDerWaalsContact O-N 3.1Å; K410-F412 WeakPolarHBondContact O-CD2 3.29Å; K410-F412 WeakPolarHBondContact O-CE2 3.09Å; K410-F412 PolarHBondContact O-N 3.49Å; K410-F412 VanDerWaalsContact O-N 3.17Å; F412-V414 WeakPolarHBondContact O-CG2 3.34Å; F412-V414 PolarHBondContact O-N 2.92Å
413P76.4Confident85Confident82 Ų8269.1 Ų69.153%0.53236%0.359SS..EExtended strand (participates in β ladder)trans-70.3120.8174.627.9-31.9000109.8F408F408-P413 HydrophobicContact CD1-CB 3.99Å; F408-P413 HydrophobicContact CE1-CB 3.7Å; F408-P413 HydrophobicContact CE1-CG 4.32Å; F408-P413 HydrophobicContact CZ-CB 4.45Å
414V75.4Confident85Confident53 Ų5373.6 Ų73.632%0.32138%0.383SS..EExtended strand (participates in β ladder)trans-107.4-30.7-175.5179.80000111.9Q407 V409 F412 Q457Q407-V414 PolarHBondContact O-N 3.46Å; V409-V414 HydrophobicContact CB-CG2 3.7Å; V409-V414 HydrophobicContact CG2-CB 4.26Å; V409-V414 HydrophobicContact CG2-CG2 3.56Å; F412-V414 WeakPolarHBondContact O-CG2 3.34Å; F412-V414 PolarHBondContact O-N 2.92Å; V414-Q457 HydrophobicContact CG1-CB 4.22Å; V414-Q457 HydrophobicContact CG1-CG 3.72Å
415C80.6Confident85Confident12 Ų1272.9 Ų72.98%0.08138%0.379CS..EExtended strand (participates in β ladder)trans-146.5140.4177.3-175.40000110.1R406 Q407R406-C415 CarbonylContact C-O 3.55Å; R406-C415 WeakPolarHBondContact CA-O 3.38Å; Q407-C415 HydrophobicContact CB-CB 3.94Å; Q407-C415 PolarHBondContact N-O 3.37Å; Q407-C415 PolarHBondContact O-N 2.82Å
416M86.6Confident85Confident112 Ų11274.3 Ų74.355%0.55239%0.39SS*.EExtended strand (participates in β ladder)trans-131132.3172-61.2-170.4-61.400108.8V404 L405 R406 F454V404-M416 HydrophobicContact CG1-CB 4.21Å; L405-M416 CarbonylContact O-C 3.57Å; L405-M416 VanDerWaalsContact O-CA 3.22Å; L405-M416 WeakPolarHBondContact O-CA 3.41Å; R406-M416 HydrophobicContact CG-CG 4.3Å; M416-F454 WeakPolarHBondContact O-CE1 3.44Å
417Y88.4Confident85Confident53 Ų5371.4 Ų71.421%0.20838%0.383CS..EExtended strand (participates in β ladder)trans-125123.2173172.2-95.8000109.2V404 L405 F419 V433 F454V404-Y417 CarbonylContact C-O 3.56Å; V404-Y417 WeakPolarHBondContact CA-O 3.4Å; L405-Y417 PolarHBondContact N-O 2.89Å; L405-Y417 PolarHBondContact O-N 3.44Å; Y417-F419 HydrophobicContact CD1-CD2 4.42Å; Y417-F419 HydrophobicContact CD1-CE1 4.36Å; Y417-F419 HydrophobicContact CD1-CE2 4.19Å; Y417-F419 HydrophobicContact CD1-CZ 4.13Å; Y417-F419 AromaticContact CE1-CD1 3.76Å; Y417-F419 HydrophobicContact CE1-CD1 3.76Å; Y417-F419 HydrophobicContact CE1-CD2 4.34Å; Y417-F419 AromaticContact CE1-CE1 3.7Å; Y417-F419 HydrophobicContact CE1-CE1 3.7Å; Y417-F419 HydrophobicContact CE1-CE2 4.28Å; Y417-F419 HydrophobicContact CE1-CG 4.07Å; Y417-F419 AromaticContact CE1-CZ 3.94Å; Y417-F419 HydrophobicContact CE1-CZ 3.94Å; Y417-V433 HydrophobicContact CD1-CG1 3.77Å; Y417-V433 HydrophobicContact CD1-CG2 4.09Å; Y417-V433 HydrophobicContact CD2-CG1 4.05Å; Y417-V433 HydrophobicContact CE1-CG1 3.81Å; Y417-V433 HydrophobicContact CE1-CG2 3.86Å; Y417-V433 HydrophobicContact CE2-CG1 4.09Å; Y417-V433 HydrophobicContact CG-CG1 3.88Å; Y417-F454 HydrophobicContact CD2-CE1 4.5Å; Y417-F454 HydrophobicContact CD2-CZ 4.49Å
418R92.5Very high85.1Confident182 Ų18276.3 Ų76.369%0.68741%0.406SS*.EExtended strand (participates in β ladder)trans-99.8127.8178.3-171.6174.6-174.8-169.3-1.6109.6F403 V404F403-R418 WeakPolarHBondContact O-CA 3.1Å; V404-R418 HydrophobicContact CG2-CB 4.42Å; V404-R418 HydrophobicContact CG2-CG 4.2Å
419F92.2Very high85.6Confident3 Ų379.7 Ų79.71%0.01342%0.422CS..PPolyproline II helixtrans-70132.5176.6-74.9-82.6000110.8I389 L400 G402 F403 L405 Y417 T423 I431 V433 L466I389-F419 HydrophobicContact CD1-CE1 4.49Å; I389-F419 HydrophobicContact CD1-CE2 3.95Å; I389-F419 HydrophobicContact CD1-CZ 3.46Å; I389-F419 VanDerWaalsContact CD1-CZ 3.46Å; L400-F419 HydrophobicContact CB-CB 4.21Å; L400-F419 HydrophobicContact CB-CD1 4.17Å; L400-F419 HydrophobicContact CB-CD2 4.43Å; L400-F419 HydrophobicContact CB-CG 4Å; L400-F419 HydrophobicContact CD1-CD1 4.28Å; L400-F419 HydrophobicContact CD1-CE1 4.16Å; L400-F419 WeakPolarHBondContact O-CB 3.15Å; G402-F419 PolarHBondContact N-O 3.41Å; G402-F419 VanDerWaalsContact N-O 3.09Å; F403-F419 HydrophobicContact CB-CD2 3.81Å; F403-F419 WeakPolarHBondContact O-CD2 3.41Å; F403-F419 PolarHBondContact O-N 3.38Å; L405-F419 HydrophobicContact CB-CE2 4.48Å; Y417-F419 HydrophobicContact CD1-CD2 4.42Å; Y417-F419 HydrophobicContact CD1-CE1 4.36Å; Y417-F419 HydrophobicContact CD1-CE2 4.19Å; Y417-F419 HydrophobicContact CD1-CZ 4.13Å; Y417-F419 AromaticContact CE1-CD1 3.76Å; Y417-F419 HydrophobicContact CE1-CD1 3.76Å; Y417-F419 HydrophobicContact CE1-CD2 4.34Å; Y417-F419 AromaticContact CE1-CE1 3.7Å; Y417-F419 HydrophobicContact CE1-CE1 3.7Å; Y417-F419 HydrophobicContact CE1-CE2 4.28Å; Y417-F419 HydrophobicContact CE1-CG 4.07Å; Y417-F419 AromaticContact CE1-CZ 3.94Å; Y417-F419 HydrophobicContact CE1-CZ 3.94Å; F419-T423 HydrophobicContact CD1-CG2 4.07Å; F419-I431 HydrophobicContact CE1-CD1 4.15Å; F419-I431 HydrophobicContact CE1-CG2 4.34Å; F419-V433 HydrophobicContact CE1-CG2 3.9Å; F419-V433 HydrophobicContact CZ-CG2 3.8Å; F419-L466 HydrophobicContact CE2-CD1 3.92Å
420P89.9Confident86.3Confident67 Ų6783.5 Ų83.544%0.43544%0.438SS..PPolyproline II helixtrans-57.1148.4173.5-24.233.9000111.8G401 T423G401-P420 WeakPolarHBondContact CA-O 3.35Å; P420-T423 WeakPolarHBondContact O-CB 3.22Å; P420-T423 PolarHBondContact O-N 3.02Å; P420-T423 PolarHBondContact O-OG1 2.8Å
421P88.6Confident87.1Confident123 Ų12377.4 Ų77.480%0.79941%0.413SS*.THydrogen-bonded Turntrans-58.4143.7173.626.4-34000110.9
422G85.6Confident88Confident57 Ų5772 Ų7259%0.58839%0.386SS*.THydrogen-bonded Turntrans7816.9-178.100000114.7L424G422-L424 PolarHBondContact O-N 3.18Å
423T91.4Very high88.7Confident26 Ų2665.4 Ų65.416%0.1636%0.358CS..  trans-78.285.5174.7-56.90000110D399 L400 F419 P420 I431D399-T423 PolarHBondContact OD1-N 2.91Å; L400-T423 HydrophobicContact CB-CG2 4.1Å; L400-T423 WeakPolarHBondContact CB-O 3.35Å; L400-T423 HydrophobicContact CD1-CG2 4.25Å; L400-T423 PolarHBondContact N-O 2.99Å; F419-T423 HydrophobicContact CD1-CG2 4.07Å; P420-T423 WeakPolarHBondContact O-CB 3.22Å; P420-T423 PolarHBondContact O-N 3.02Å; P420-T423 PolarHBondContact O-OG1 2.8Å; T423-I431 HydrophobicContact CG2-CD1 3.75Å
424L92.4Very high89.1Confident119 Ų11968.2 Ų68.262%0.62336%0.358SS*.EExtended strand (participates in β ladder)trans-83.2127.8179.7-59.2179000111.6T397 D399 G422T397-L424 HydrophobicContact CG2-CB 4.03Å; D399-L424 HydrophobicContact CB-CD2 3.78Å; G422-L424 PolarHBondContact O-N 3.18Å
425L91.6Very high89.2Confident9 Ų966 Ų665%0.04735%0.345CS..EExtended strand (participates in β ladder)trans-113.9105.9175.5-172.661.6000110.7L375 N391 T397 V398 L400 H429 I431L375-L425 HydrophobicContact CD2-CD2 3.97Å; N391-L425 HydrophobicContact CB-CD2 3.71Å; N391-L425 HydrophobicContact CB-CG 3.76Å; N391-L425 PolarHBondContact ND2-O 2.94Å; T397-L425 WeakPolarHBondContact CA-O 3.38Å; V398-L425 PolarHBondContact N-O 3.41Å; V398-L425 PolarHBondContact O-N 3.33Å; L400-L425 HydrophobicContact CD1-CB 3.97Å; L400-L425 HydrophobicContact CD1-CD2 4Å; L400-L425 HydrophobicContact CG-CB 4.22Å; L425-H429 HydrophobicContact CD1-CB 4Å; L425-I431 HydrophobicContact CD1-CB 4.22Å; L425-I431 HydrophobicContact CD1-CG2 4.5Å; L425-I431 HydrophobicContact CD2-CG2 4.22Å
426A91.5Very high88.5Confident32 Ų3270.6 Ų70.626%0.26437%0.366SS..  trans-61.7159.6-179.800000113N391 H429N391-A426 WeakPolarHBondContact CB-O 3.33Å; N391-A426 PolarHBondContact ND2-O 3.17Å; A426-H429 HydrophobicContact CB-CB 4.23Å; A426-H429 WeakPolarHBondContact O-CB 3.36Å; A426-H429 PolarHBondContact O-N 2.61Å; A426-H429 VanDerWaalsContact O-N 3.17Å
427P90.1Very high86.9Confident27 Ų2768.6 Ų68.618%0.17537%0.374CS..THydrogen-bonded Turntrans-57.3140.3177.5-17.327.4000111.2S393 A395 H429S393-P427 WeakPolarHBondContact O-CA 3.34Å; S393-P427 VanDerWaalsContact O-CB 3.27Å; S393-P427 WeakPolarHBondContact O-CB 3.4Å; A395-P427 WeakPolarHBondContact O-CG 3.42Å; P427-H429 PolarHBondContact O-N 2.75Å; P427-H429 PolarHBondContact O-ND1 2.82Å
428Q90.5Very high85.2Confident108 Ų10867.9 Ų67.951%0.50538%0.379SS..THydrogen-bonded Turntrans599.3-177.4-55-60.4-3700115.8N391 Q392 S393N391-Q428 WeakPolarHBondContact O-CA 3.41Å; N391-Q428 PolarHBondContact O-N 3.09Å; Q392-Q428 PolarHBondContact O-NE2 3.18Å; S393-Q428 PolarHBondContact O-N 3.37Å; S393-Q428 VanDerWaalsContact O-N 3.14Å; S393-Q428 PolarHBondContact O-NE2 2.97Å
429H91.6Very high82.7Confident113 Ų11364.3 Ų64.352%0.52338%0.382SS..  trans-97.3158.2177.6-70.668.3000111.6N391 L425 A426 P427N391-H429 PolarHBondContact N-O 3.17Å; L425-H429 HydrophobicContact CD1-CB 4Å; A426-H429 HydrophobicContact CB-CB 4.23Å; A426-H429 WeakPolarHBondContact O-CB 3.36Å; A426-H429 PolarHBondContact O-N 2.61Å; A426-H429 VanDerWaalsContact O-N 3.17Å; P427-H429 PolarHBondContact O-N 2.75Å; P427-H429 PolarHBondContact O-ND1 2.82Å
430H94.1Very high80.4Confident105 Ų10575.3 Ų75.349%0.48642%0.423SS..EExtended strand (participates in β ladder)trans-122.4149.2176.469.2-86.4000111.8R388 I389 L390R388-H430 VanDerWaalsContact CD-CD2 3.43Å; R388-H430 WeakPolarHBondContact CD-CD2 3.46Å; R388-H430 HydrophobicContact CG-CB 3.96Å; I389-H430 CarbonylContact O-C 3.54Å; I389-H430 WeakPolarHBondContact O-CA 3.27Å; I389-H430 VanDerWaalsContact O-CB 3.3Å; I389-H430 WeakPolarHBondContact O-CB 3.39Å; L390-H430 HydrophobicContact CD1-CB 4.19Å
431I92.5Very high78Confident45 Ų4578.7 Ų78.723%0.23144%0.443CS..EExtended strand (participates in β ladder)trans-114.7140.9167.3-170.2164.7000108.7R388 I389 L400 F419 T423 L425R388-I431 CarbonylContact C-O 3.6Å; R388-I431 WeakPolarHBondContact CA-O 3.22Å; I389-I431 HydrophobicContact CB-CG2 3.95Å; I389-I431 PolarHBondContact N-O 3.35Å; I389-I431 PolarHBondContact O-N 3.26Å; L400-I431 HydrophobicContact CD1-CG2 3.86Å; F419-I431 HydrophobicContact CE1-CD1 4.15Å; F419-I431 HydrophobicContact CE1-CG2 4.34Å; T423-I431 HydrophobicContact CG2-CD1 3.75Å; L425-I431 HydrophobicContact CD1-CB 4.22Å; L425-I431 HydrophobicContact CD1-CG2 4.5Å; L425-I431 HydrophobicContact CD2-CG2 4.22Å
432T92.2Very high75.7Confident36 Ų3682.7 Ų82.722%0.22145%0.448CS..EExtended strand (participates in β ladder)trans-116.8119.7176.6-55.20000108.9F386 I387 W434F386-T432 HydrophobicContact CB-CG2 3.72Å; F386-T432 HydrophobicContact CD2-CG2 3.64Å; F386-T432 HydrophobicContact CG-CG2 3.86Å; I387-T432 CarbonylContact O-C 3.51Å; I387-T432 WeakPolarHBondContact O-CA 3.48Å; T432-W434 HydrophobicContact CG2-CD2 4.05Å; T432-W434 VanDerWaalsContact CG2-CE2 3.48Å; T432-W434 HydrophobicContact CG2-CG 4.4Å; T432-W434 HydrophobicContact CG2-CH2 4.45Å; T432-W434 HydrophobicContact CG2-CZ2 3.72Å
433V89.1Confident73.3Confident10 Ų1090 Ų906%0.06146%0.463CS..EExtended strand (participates in β ladder)trans-91.6118.6172.3-170.20000107.6F386 I387 Y417 F419 F456F386-V433 CarbonylContact C-O 3.54Å; F386-V433 VanDerWaalsContact CA-O 3.25Å; F386-V433 WeakPolarHBondContact CA-O 3.4Å; I387-V433 PolarHBondContact N-O 3.3Å; I387-V433 PolarHBondContact O-N 3.42Å; Y417-V433 HydrophobicContact CD1-CG1 3.77Å; Y417-V433 HydrophobicContact CD1-CG2 4.09Å; Y417-V433 HydrophobicContact CD2-CG1 4.05Å; Y417-V433 HydrophobicContact CE1-CG1 3.81Å; Y417-V433 HydrophobicContact CE1-CG2 3.86Å; Y417-V433 HydrophobicContact CE2-CG1 4.09Å; Y417-V433 HydrophobicContact CG-CG1 3.88Å; F419-V433 HydrophobicContact CE1-CG2 3.9Å; F419-V433 HydrophobicContact CZ-CG2 3.8Å; V433-F456 HydrophobicContact CB-CE2 4.48Å; V433-F456 HydrophobicContact CB-CZ 4.24Å; V433-F456 HydrophobicContact CG1-CE2 4.02Å; V433-F456 HydrophobicContact CG1-CZ 3.66Å
434W84.3Confident70.6Confident141 Ų14196.7 Ų96.753%0.53449%0.492SS..EExtended strand (participates in β ladder)trans-99.8136.7-179.9-62.291.9000110F386 T432 A438F386-W434 HydrophobicContact CB-CD2 3.93Å; F386-W434 HydrophobicContact CB-CE3 3.51Å; F386-W434 HydrophobicContact CB-CH2 4.3Å; F386-W434 HydrophobicContact CB-CZ3 3.72Å; F386-W434 HydrophobicContact CD1-CE3 4.23Å; F386-W434 AromaticContact CD1-CH2 3.82Å; F386-W434 HydrophobicContact CD1-CH2 3.82Å; F386-W434 AromaticContact CD1-CZ3 3.53Å; F386-W434 HydrophobicContact CD1-CZ3 3.53Å; F386-W434 HydrophobicContact CE1-CH2 4.46Å; F386-W434 HydrophobicContact CE1-CZ3 4.48Å; F386-W434 HydrophobicContact CG-CE3 4.24Å; F386-W434 HydrophobicContact CG-CH2 4.18Å; F386-W434 AromaticContact CG-CZ3 3.92Å; F386-W434 HydrophobicContact CG-CZ3 3.92Å; T432-W434 HydrophobicContact CG2-CD2 4.05Å; T432-W434 VanDerWaalsContact CG2-CE2 3.48Å; T432-W434 HydrophobicContact CG2-CG 4.4Å; T432-W434 HydrophobicContact CG2-CH2 4.45Å; T432-W434 HydrophobicContact CG2-CZ2 3.72Å; W434-A438 HydrophobicContact CE3-CB 3.76Å; W434-A438 HydrophobicContact CZ3-CB 4.47Å
435G76.4Confident67.8Low6 Ų698.1 Ų98.16%0.06250%0.5CS..PPolyproline II helixtrans-86.8164.3172.700000111.6R385 A438 F456R385-G435 PolarHBondContact O-N 2.84Å; G435-A438 WeakPolarHBondContact O-CB 3.36Å; G435-A438 PolarHBondContact O-N 2.97Å; G435-F456 VanDerWaalsContact CA-CD2 3.5Å
436E66.6Low65.1Low108 Ų108103 Ų10351%0.50553%0.532SS..THydrogen-bonded Turntrans-60.9136-179.5-163.4148.815100112.5P453 F454E436-P453 VanDerWaalsContact OE1-CB 3.31Å; E436-P453 WeakPolarHBondContact OE1-CB 3.34Å; E436-P453 WeakPolarHBondContact OE2-CA 3.26Å; E436-P453 WeakPolarHBondContact OE2-CB 3.46Å; E436-F454 WeakPolarHBondContact CB-O 3.05Å; E436-F454 PolarHBondContact N-O 3.04Å
437G53.8Low62.3Low70 Ų70107 Ų10772%0.72255%0.553SS**THydrogen-bonded Turntrans92.10.1-17700000115.8S439G437-S439 VanDerWaalsContact C-N 3.33Å; G437-S439 PolarHBondContact O-N 3.06Å
438A53.2Low59.7Low39 Ų39111.2 Ų111.232%0.32258%0.583SS.*  trans-80.172.8174.300000112.1W434 G435W434-A438 HydrophobicContact CE3-CB 3.76Å; W434-A438 HydrophobicContact CZ3-CB 4.47Å; G435-A438 WeakPolarHBondContact O-CB 3.36Å; G435-A438 PolarHBondContact O-N 2.97Å
439S38.3Very low57.2Low107 Ų107109.5 Ų109.575%0.74858%0.583SS**  trans-94.5112.3177.6-68.30000112.2G437G437-S439 VanDerWaalsContact C-N 3.33Å; G437-S439 PolarHBondContact O-N 3.06Å
440R45.3Very low54.4Low234 Ų234108.6 Ų108.688%0.88361%0.605SS**SBend172.1124.4128-94.4165.4170.9-128-3.2109.1
441T39.1Very low51.7Low138 Ų138110 Ų11085%0.84761%0.611SS**SBendtrans88.759.8172.5760000118.3
442K40.4Very low49.1Very low206 Ų206114.6 Ų114.690%0.89664%0.637SS**SBendtrans-163.8138.6136.5-110.2164.2-175-177.80109.9H444K442-H444 PolarHBondContact O-N 3.46Å
443K35.7Very low46.9Very low211 Ų211116.1 Ų116.192%0.91765%0.647SS**PPolyproline II helixtrans-54.9125.9-178.7-64.8-179.4177.9-1770109L445K443-L445 PolarHBondContact O-N 3.44Å
444H34.6Very low45.3Very low166 Ų166118.8 Ų118.877%0.76966%0.658SS**PPolyproline II helixtrans-58.5122.8176.8-139.2-87.1000109.1K442K442-H444 PolarHBondContact O-N 3.46Å
445L33.5Very low44Very low149 Ų149116.6 Ų116.678%0.7865%0.653SS**PPolyproline II helixtrans-78.8149.7154.1-14374.5000106.5K443 V447K443-L445 PolarHBondContact O-N 3.44Å; L445-V447 PolarHBondContact O-N 3.43Å; L445-V447 VanDerWaalsContact O-N 3.16Å
446P33.8Very low43.4Very low111 Ų111116.9 Ų116.972%0.72165%0.653SS**PPolyproline II helixtrans-66.6120.8-177.1-6.622.1000108.7S448P446-S448 VanDerWaalsContact C-N 3.32Å; P446-S448 PolarHBondContact O-N 3.3Å
447V32.6Very low43.1Very low118 Ų118116.3 Ų116.372%0.71565%0.65SS**  trans-75.992.1168.4174.70000106.5L445L445-V447 PolarHBondContact O-N 3.43Å; L445-V447 VanDerWaalsContact O-N 3.16Å
448S35.8Very low43.2Very low114 Ų114116.2 Ų116.280%0.79764%0.639SS**  trans-101.680.7161.853.20000108P446P446-S448 VanDerWaalsContact C-N 3.32Å; P446-S448 PolarHBondContact O-N 3.3Å
449S39Very low43.4Very low72 Ų72116.3 Ų116.350%0.50364%0.637SS.*  trans-167.2107.9167.1165.90000108.1Q451S449-Q451 PolarHBondContact O-N 3.44Å
450G32.8Very low44.6Very low95 Ų95119 Ų11998%0.97963%0.631SS**  trans-67.872.1173.400000112.3
451Q37.8Very low45.6Very low133 Ų133110.2 Ų110.262%0.62161%0.612SS**  trans-110.6142.1165.7-74.3-162.8-19.300109.9S449 F454S449-Q451 PolarHBondContact O-N 3.44Å; Q451-F454 HydrophobicContact CB-CE2 4.24Å
452D37.3Very low47.5Very low143 Ų143104.1 Ų104.177%0.76558%0.576SS**  trans-50.8143.7-179.3-75.9-40000112.4F454D452-F454 PolarHBondContact O-N 3.4Å
453P46.6Very low49.7Very low68 Ų6895.2 Ų95.244%0.44254%0.538SS..  trans-59.2117.4-174.823.2-34.4000112.7E436 H455E436-P453 VanDerWaalsContact OE1-CB 3.31Å; E436-P453 WeakPolarHBondContact OE1-CB 3.34Å; E436-P453 WeakPolarHBondContact OE2-CA 3.26Å; E436-P453 WeakPolarHBondContact OE2-CB 3.46Å; P453-H455 PolarHBondContact O-N 2.97Å; P453-H455 PolarHBondContact O-ND1 2.94Å
454F54.1Low52.2Low66 Ų6685.2 Ų85.229%0.28950%0.495SS..  trans-78.5112.3-174.9-73.4-79.2000111.8M416 Y417 E436 Q451 D452M416-F454 WeakPolarHBondContact O-CE1 3.44Å; Y417-F454 HydrophobicContact CD2-CE1 4.5Å; Y417-F454 HydrophobicContact CD2-CZ 4.49Å; E436-F454 WeakPolarHBondContact CB-O 3.05Å; E436-F454 PolarHBondContact N-O 3.04Å; Q451-F454 HydrophobicContact CB-CE2 4.24Å; D452-F454 PolarHBondContact O-N 3.4Å
455H57.7Low55Low95 Ų9578.5 Ų78.544%0.4446%0.464SS..  trans-110.7110.5178.7-64.982.3000111.9P453 Q457P453-H455 PolarHBondContact O-N 2.97Å; P453-H455 PolarHBondContact O-ND1 2.94Å; H455-Q457 PolarHBondContact O-N 3.33Å
456F63.6Low57.8Low11 Ų1171.4 Ų71.45%0.04843%0.427CS..  trans-70.7128.4165.4-64.7-58.1000109.9R385 I387 L405 V433 G435R385-F456 PolarHBondContact NH1-O 2.95Å; R385-F456 VanDerWaalsContact NH1-O 3.12Å; I387-F456 HydrophobicContact CD1-CD1 3.49Å; I387-F456 VanDerWaalsContact CD1-CD1 3.49Å; I387-F456 HydrophobicContact CD1-CE1 3.36Å; I387-F456 HydrophobicContact CD1-CE2 4.48Å; I387-F456 HydrophobicContact CD1-CG 4.16Å; I387-F456 HydrophobicContact CD1-CZ 3.9Å; I387-F456 HydrophobicContact CG1-CD1 4.35Å; I387-F456 HydrophobicContact CG1-CE1 4.3Å; I387-F456 HydrophobicContact CG1-CZ 4.45Å; L405-F456 HydrophobicContact CD2-CE1 4.24Å; L405-F456 HydrophobicContact CD2-CZ 4.36Å; V433-F456 HydrophobicContact CB-CE2 4.48Å; V433-F456 HydrophobicContact CB-CZ 4.24Å; V433-F456 HydrophobicContact CG1-CE2 4.02Å; V433-F456 HydrophobicContact CG1-CZ 3.66Å; G435-F456 VanDerWaalsContact CA-CD2 3.5Å
457Q59.8Low60.5Low96 Ų9666.3 Ų66.345%0.44939%0.394SS..  trans-91.5146179-73.6-159.511.200112.4Q407 V414 H455Q407-Q457 PolarHBondContact NE2-O 3.49Å; Q407-Q457 VanDerWaalsContact OE1-N 3.12Å; V414-Q457 HydrophobicContact CG1-CB 4.22Å; V414-Q457 HydrophobicContact CG1-CG 3.72Å; H455-Q457 PolarHBondContact O-N 3.33Å
458S56.5Low63.2Low69 Ų6961.4 Ų61.448%0.48336%0.364SS..  trans-110.649.7-177.5172.10000110.9Y382Y382-S458 WeakPolarHBondContact CB-OG 3.09Å; Y382-S458 VanDerWaalsContact CD2-OG 3.27Å; Y382-S458 WeakPolarHBondContact CD2-OG 3.17Å
459S57.5Low65.6Low41 Ų4159.6 Ų59.629%0.28735%0.349SS..  trans-94.8146.9177.763.90000111.8V409 C462V409-S459 WeakPolarHBondContact CG1-OG 3.46Å; V409-S459 WeakPolarHBondContact CG2-OG 3.39Å; S459-C462 VanDerWaalsContact O-CB 3.26Å; S459-C462 WeakPolarHBondContact O-CB 3.26Å; S459-C462 PolarHBondContact O-N 2.93Å
460R62.3Low67.7Low164 Ų16463.7 Ų63.762%0.61936%0.36SS*.THydrogen-bonded Turntrans-64.1133172.5-69.5179.4177.7-121.2-1.9109C482 T484R460-C482 PolarHBondContact NH1-O 3.01Å; R460-C482 PolarHBondContact NH2-O 2.79Å; R460-C482 PolarHBondContact NH2-SG 3.27Å; R460-C482 VanDerWaalsContact NH2-SG 3.44Å; R460-T484 PolarHBondContact NH2-OG1 3.13Å
461G67.1Low70.1Confident48 Ų4861.3 Ų61.350%0.49534%0.335SS..THydrogen-bonded Turntrans84.416.2-177.300000114.4
462C79.9Confident72.4Confident11 Ų1159.9 Ų59.97%0.07433%0.328CS..EExtended strand (participates in β ladder)trans-75.9134.1174.1-172.90000112Q407 F408 V409 S459Q407-C462 WeakPolarHBondContact CG-SG 3.45Å; Q407-C462 PolarHBondContact NE2-SG 3.3Å; F408-C462 VanDerWaalsContact O-CA 3.3Å; F408-C462 WeakPolarHBondContact O-CA 3.09Å; F408-C462 PolarHBondContact O-SG 3.46Å; V409-C462 HydrophobicContact CG2-CB 4.29Å; S459-C462 VanDerWaalsContact O-CB 3.26Å; S459-C462 WeakPolarHBondContact O-CB 3.26Å; S459-C462 PolarHBondContact O-N 2.93Å
463V85.3Confident74.9Confident18 Ų1856.4 Ų56.411%0.10931%0.312CS..EExtended strand (participates in β ladder)trans-115.5128177.9-179.40000108.9Q407 F408 M465 E476 Q478Q407-V463 CarbonylContact C-O 3.56Å; Q407-V463 WeakPolarHBondContact CA-O 3.27Å; F408-V463 PolarHBondContact N-O 2.91Å; F408-V463 PolarHBondContact O-N 3.41Å; V463-M465 HydrophobicContact CG1-CG 3.97Å; V463-M465 HydrophobicContact CG1-SD 4.45Å; V463-E476 HydrophobicContact CG1-CG 3.74Å; V463-E476 WeakPolarHBondContact CG1-OE1 3.37Å; V463-Q478 HydrophobicContact CG2-CG 4.18Å
464T89.4Confident76.8Confident2 Ų254.6 Ų54.61%0.01230%0.299CS..EExtended strand (participates in β ladder)trans-108.4127.9175-550000109.4I377 I387 L405 R406 E476 H477I377-T464 HydrophobicContact CD1-CG2 3.99Å; I377-T464 WeakPolarHBondContact CD1-O 3.48Å; I387-T464 HydrophobicContact CD1-CG2 3.8Å; I387-T464 HydrophobicContact CG2-CG2 4.38Å; L405-T464 HydrophobicContact CD1-CG2 3.69Å; L405-T464 HydrophobicContact CG-CG2 4.07Å; R406-T464 CarbonylContact O-C 3.56Å; R406-T464 WeakPolarHBondContact O-CA 3.22Å; T464-E476 CarbonylContact O-C 3.46Å; T464-E476 WeakPolarHBondContact O-CA 3.4Å; T464-H477 PolarHBondContact N-O 2.98Å; T464-H477 PolarHBondContact O-N 3.19Å
465M91.6Very high78.4Confident25 Ų2552.3 Ų52.312%0.12329%0.291CS..EExtended strand (participates in β ladder)trans-124.5135.4-178.7-58.5177.276.900110L405 R406 F408 V463 V467 V473 S475 E476L405-M465 CarbonylContact C-O 3.54Å; L405-M465 WeakPolarHBondContact CA-O 3.45Å; R406-M465 PolarHBondContact N-O 3.31Å; R406-M465 PolarHBondContact O-N 3.46Å; F408-M465 HydrophobicContact CD2-CG 4.41Å; F408-M465 HydrophobicContact CD2-SD 3.95Å; F408-M465 HydrophobicContact CE2-CG 4.37Å; F408-M465 HydrophobicContact CE2-SD 3.72Å; V463-M465 HydrophobicContact CG1-CG 3.97Å; V463-M465 HydrophobicContact CG1-SD 4.45Å; M465-V467 HydrophobicContact CB-CG2 4.33Å; M465-V473 HydrophobicContact CB-CG1 4.47Å; M465-V473 HydrophobicContact CE-CB 4.02Å; M465-V473 HydrophobicContact CE-CG1 3.45Å; M465-V473 VanDerWaalsContact CE-CG1 3.45Å; M465-V473 HydrophobicContact CE-CG2 3.34Å; M465-S475 CarbonylContact C-O 3.59Å; M465-S475 WeakPolarHBondContact CA-O 3.34Å; M465-E476 HydrophobicContact CG-CB 4.49Å; M465-E476 HydrophobicContact CG-CG 4.13Å
466L92.4Very high79.9Confident0 Ų051.1 Ų51.10%029%0.285CS..EExtended strand (participates in β ladder)trans-97.6121.5168.4-178.963.7000108.4L375 I377 I389 F403 L405 F419 L474 S475L375-L466 HydrophobicContact CB-CD2 4.11Å; L375-L466 HydrophobicContact CD1-CD2 4.11Å; I377-L466 HydrophobicContact CD1-CB 4.19Å; I377-L466 HydrophobicContact CG1-CB 4.36Å; I389-L466 HydrophobicContact CD1-CD1 3.99Å; I389-L466 HydrophobicContact CD1-CD2 4.22Å; I389-L466 HydrophobicContact CG2-CD2 4.01Å; F403-L466 HydrophobicContact CB-CD1 4.35Å; F403-L466 HydrophobicContact CD2-CD1 4.43Å; L405-L466 HydrophobicContact CD1-CB 4.45Å; L405-L466 HydrophobicContact CD1-CD1 4.38Å; F419-L466 HydrophobicContact CE2-CD1 3.92Å; L466-L474 PolarHBondContact O-N 2.69Å; L466-S475 PolarHBondContact N-O 3.13Å
467V91.4Very high80.9Confident4 Ų452.9 Ų52.92%0.02429%0.294CS..EExtended strand (participates in β ladder)trans-120.2135.6-174.3-170.10000109.4F403 V404 R406 M465 G471 Q472F403-V467 CarbonylContact C-O 3.6Å; F403-V467 WeakPolarHBondContact CA-O 3.5Å; V404-V467 PolarHBondContact N-O 3.45Å; V404-V467 PolarHBondContact O-N 2.87Å; R406-V467 HydrophobicContact CG-CG2 4.3Å; M465-V467 HydrophobicContact CB-CG2 4.33Å; V467-G471 VanDerWaalsContact CG1-C 3.43Å; V467-Q472 CarbonylContact C-O 3.58Å; V467-Q472 VanDerWaalsContact CA-O 3.31Å; V467-Q472 WeakPolarHBondContact CA-O 3.43Å; V467-Q472 WeakPolarHBondContact CG1-O 3.32Å
468N89.8Confident82Confident15 Ų1554.5 Ų54.58%0.0830%0.302CS..  trans-77169.5175.475.23.7000111.5F403 H470 G471 Q472 L474F403-N468 HydrophobicContact CE2-CB 4.36Å; F403-N468 HydrophobicContact CZ-CB 4.33Å; N468-H470 PolarHBondContact O-N 2.88Å; N468-H470 VanDerWaalsContact O-N 3.14Å; N468-H470 VanDerWaalsContact OD1-C 3.23Å; N468-H470 WeakPolarHBondContact OD1-CA 3.37Å; N468-H470 WeakPolarHBondContact OD1-CB 3.36Å; N468-H470 PolarHBondContact OD1-N 2.89Å; N468-G471 PolarHBondContact O-N 3.36Å; N468-G471 PolarHBondContact OD1-N 3.3Å; N468-Q472 PolarHBondContact N-O 3.45Å; N468-Q472 PolarHBondContact ND2-OE1 3.44Å; N468-Q472 WeakPolarHBondContact OD1-CB 3.32Å; N468-Q472 PolarHBondContact OD1-N 2.88Å; N468-Q472 PolarHBondContact OD1-O 2.93Å; N468-L474 HydrophobicContact CB-CD1 3.93Å; N468-L474 HydrophobicContact CB-CD2 4.4Å; N468-L474 HydrophobicContact CB-CG 4.18Å
469P86.6Confident82.5Confident75 Ų7553.5 Ų53.549%0.48730%0.297SS..THydrogen-bonded Turntrans-60-23.7176.9-23.333.8000113.3F403 G471F403-P469 VanDerWaalsContact CD1-CD 3.48Å; F403-P469 HydrophobicContact CD1-CG 3.94Å; F403-P469 HydrophobicContact CE1-CG 4.19Å; P469-G471 VanDerWaalsContact C-N 3.26Å; P469-G471 PolarHBondContact O-N 3.39Å
470H83.2Confident82.6Confident159 Ų15955.6 Ų55.674%0.73632%0.317SS*.THydrogen-bonded Turntrans-82.21.6176.4-52.8-64.9000113.5N468N468-H470 PolarHBondContact O-N 2.88Å; N468-H470 VanDerWaalsContact O-N 3.14Å; N468-H470 VanDerWaalsContact OD1-C 3.23Å; N468-H470 WeakPolarHBondContact OD1-CA 3.37Å; N468-H470 WeakPolarHBondContact OD1-CB 3.36Å; N468-H470 PolarHBondContact OD1-N 2.89Å
471G81.4Confident82.3Confident44 Ų4453.2 Ų53.245%0.45432%0.323SS..SBendtrans82.83.8177.900000115.6V467 N468 P469V467-G471 VanDerWaalsContact CG1-C 3.43Å; N468-G471 PolarHBondContact O-N 3.36Å; N468-G471 PolarHBondContact OD1-N 3.3Å; P469-G471 VanDerWaalsContact C-N 3.26Å; P469-G471 PolarHBondContact O-N 3.39Å
472Q87.6Confident81.3Confident103 Ų10354 Ų5448%0.48132%0.32SS..  trans-82.4141.7177.8-56.4170.5-22.700111.4V467 N468V467-Q472 CarbonylContact C-O 3.58Å; V467-Q472 VanDerWaalsContact CA-O 3.31Å; V467-Q472 WeakPolarHBondContact CA-O 3.43Å; V467-Q472 WeakPolarHBondContact CG1-O 3.32Å; N468-Q472 PolarHBondContact N-O 3.45Å; N468-Q472 PolarHBondContact ND2-OE1 3.44Å; N468-Q472 WeakPolarHBondContact OD1-CB 3.32Å; N468-Q472 PolarHBondContact OD1-N 2.88Å; N468-Q472 PolarHBondContact OD1-O 2.93Å
473V88.5Confident79.6Confident71 Ų7158.4 Ų58.443%0.4335%0.346SS..EExtended strand (participates in β ladder)trans-84.9119179.4-176.50000109.4M465M465-V473 HydrophobicContact CB-CG1 4.47Å; M465-V473 HydrophobicContact CE-CB 4.02Å; M465-V473 HydrophobicContact CE-CG1 3.45Å; M465-V473 VanDerWaalsContact CE-CG1 3.45Å; M465-V473 HydrophobicContact CE-CG2 3.34Å
474L86.8Confident77.4Confident30 Ų3061.4 Ų61.416%0.15737%0.365CS..EExtended strand (participates in β ladder)trans-96.7-32.8-178.7-58.3-179000112.8C373 L375 F403 L466 N468C373-L474 HydrophobicContact CB-CD2 4.47Å; C373-L474 VanDerWaalsContact SG-CD2 3.57Å; L375-L474 HydrophobicContact CD1-CD1 4.2Å; F403-L474 HydrophobicContact CD2-CD1 3.75Å; F403-L474 HydrophobicContact CE2-CD1 3.21Å; F403-L474 HydrophobicContact CZ-CD1 4.11Å; L466-L474 PolarHBondContact O-N 2.69Å; N468-L474 HydrophobicContact CB-CD1 3.93Å; N468-L474 HydrophobicContact CB-CD2 4.4Å; N468-L474 HydrophobicContact CB-CG 4.18Å
475S88.3Confident75.3Confident17 Ų1768.3 Ų68.312%0.11940%0.401CS..EExtended strand (participates in β ladder)trans-153138.7178.3-170.60000110.4I377 M465 L466I377-S475 PolarHBondContact N-OG 3.3Å; M465-S475 CarbonylContact C-O 3.59Å; M465-S475 WeakPolarHBondContact CA-O 3.34Å; L466-S475 PolarHBondContact N-O 3.13Å
476E90Very high73.1Confident70 Ų7069 Ų6933%0.32742%0.415SS..EExtended strand (participates in β ladder)trans-123.8134.8175.9-179173.2-179.500109.8R365 V463 T464 M465R365-E476 IonicContact CZ-OE1 3.65Å; R365-E476 IonicContact CZ-OE2 2.98Å; R365-E476 IonicContact NE-OE1 3.9Å; R365-E476 IonicContact NE-OE2 3.56Å; R365-E476 IonicContact NH1-OE1 3.36Å; R365-E476 PolarHBondContact NH1-OE1 2.89Å; R365-E476 IonicContact NH1-OE2 3.98Å; R365-E476 IonicContact NH2-OE1 3.27Å; R365-E476 PolarHBondContact NH2-OE1 3.34Å; R365-E476 IonicContact NH2-OE2 2.74Å; R365-E476 PolarHBondContact NH2-OE2 3.48Å; V463-E476 HydrophobicContact CG1-CG 3.74Å; V463-E476 WeakPolarHBondContact CG1-OE1 3.37Å; T464-E476 CarbonylContact O-C 3.46Å; T464-E476 WeakPolarHBondContact O-CA 3.4Å; M465-E476 HydrophobicContact CG-CB 4.49Å; M465-E476 HydrophobicContact CG-CG 4.13Å
477H84.4Confident70.8Confident49 Ų4971.3 Ų71.323%0.22743%0.431CS..EExtended strand (participates in β ladder)trans-123.2115.9173.9-178.283.7000109.4I377 V380 T464I377-H477 HydrophobicContact CB-CB 3.98Å; I377-H477 HydrophobicContact CD1-CB 4.15Å; I377-H477 HydrophobicContact CG2-CB 3.62Å; V380-H477 HydrophobicContact CG2-CB 4.15Å; V380-H477 WeakPolarHBondContact CG2-CD2 3.48Å; T464-H477 PolarHBondContact N-O 2.98Å; T464-H477 PolarHBondContact O-N 3.19Å
478Q82.6Confident68.5Low130 Ų13078.4 Ų78.461%0.60746%0.461SS*.EExtended strand (participates in β ladder)trans-108.8122.9170.2-172.1173.240.600108.5V463 A480V463-Q478 HydrophobicContact CG2-CG 4.18Å; Q478-A480 PolarHBondContact O-N 3.03Å
479A66.5Low66.4Low48 Ų4883.8 Ų83.840%0.39749%0.489SS..  trans-66.5127174.400000109.1
480A60.1Low64.6Low84 Ų8488.7 Ų88.769%0.69450%0.503SS*.  trans-54.7136.3173.300000109.3Q478 C482Q478-A480 PolarHBondContact O-N 3.03Å; A480-C482 PolarHBondContact O-N 3.49Å
481P55.2Low62.8Low115 Ų11585.7 Ų85.775%0.74750%0.495SS*.  trans-53.8113.8175-22.931.7000109V483P481-V483 VanDerWaalsContact C-N 3.33Å; P481-V483 PolarHBondContact O-N 3.45Å
482C46.5Very low60.9Low64 Ų6490.1 Ų90.143%0.43251%0.509SS..  trans-71.795.5177.757.70000108.4R460 A480 T484R460-C482 PolarHBondContact NH1-O 3.01Å; R460-C482 PolarHBondContact NH2-O 2.79Å; R460-C482 PolarHBondContact NH2-SG 3.27Å; R460-C482 VanDerWaalsContact NH2-SG 3.44Å; A480-C482 PolarHBondContact O-N 3.49Å; C482-T484 VanDerWaalsContact C-N 3.3Å; C482-T484 PolarHBondContact O-N 2.76Å
483V44.1Very low59.1Low103 Ų10392.7 Ų92.762%0.62453%0.526SS*.  trans-59.799.4162179.30000105.2P481 S487P481-V483 VanDerWaalsContact C-N 3.33Å; P481-V483 PolarHBondContact O-N 3.45Å; V483-S487 VanDerWaalsContact CG1-CB 3.4Å; V483-S487 WeakPolarHBondContact CG1-OG 3.44Å
484T39.4Very low57.1Low81 Ų8193.4 Ų93.450%0.49753%0.531SS..  trans-56.2150.3-179.7-29.60000108R460 C482 G486 S487R460-T484 PolarHBondContact NH2-OG1 3.13Å; C482-T484 VanDerWaalsContact C-N 3.3Å; C482-T484 PolarHBondContact O-N 2.76Å; T484-G486 PolarHBondContact O-N 3.21Å; T484-S487 PolarHBondContact N-OG 2.92Å; T484-S487 PolarHBondContact O-N 3.39Å; T484-S487 PolarHBondContact O-OG 3.24Å
485L45.3Very low54.8Low147 Ų14798.8 Ų98.877%0.7756%0.56SS**G310 helixtrans-50.9-23.8-178.7-147.384.8000113.4S487 K488L485-S487 VanDerWaalsContact C-N 3.29Å; L485-S487 PolarHBondContact O-N 3.33Å; L485-K488 PolarHBondContact O-N 3.49Å
486G44.9Very low52.6Low41 Ų41108.8 Ų108.842%0.42360%0.595SS.*G310 helixtrans-65.7-19.5172.900000116.1T484T484-G486 PolarHBondContact O-N 3.21Å
487S44.7Very low50.5Low47 Ų47111.1 Ų111.133%0.32962%0.619SS.*G310 helixtrans-93.1-7.3175.822.60000113.7V483 T484 L485 I489V483-S487 VanDerWaalsContact CG1-CB 3.4Å; V483-S487 WeakPolarHBondContact CG1-OG 3.44Å; T484-S487 PolarHBondContact N-OG 2.92Å; T484-S487 PolarHBondContact O-N 3.39Å; T484-S487 PolarHBondContact O-OG 3.24Å; L485-S487 VanDerWaalsContact C-N 3.29Å; L485-S487 PolarHBondContact O-N 3.33Å; S487-I489 VanDerWaalsContact C-N 3.27Å
488K42.3Very low48.1Very low154 Ų154115 Ų11567%0.6764%0.64SS**SBendtrans-80.1-8.2164.1-88.5-172.5174-175.20113.1L485 F490 T491L485-K488 PolarHBondContact O-N 3.49Å; K488-F490 VanDerWaalsContact C-N 3.29Å; K488-T491 PolarHBondContact O-OG1 3.43Å
489I47.3Very low46.1Very low127 Ų127115.4 Ų115.465%0.65165%0.646SS**THydrogen-bonded Turntrans-81.9-13.4176.1-38.7175.6000111S487S487-I489 VanDerWaalsContact C-N 3.27Å
490F47.9Very low44.6Very low179 Ų179123.2 Ų123.279%0.78567%0.665SS**THydrogen-bonded Turntrans-11012.2178.1-68.3-77.4000113.6K488 D492K488-F490 VanDerWaalsContact C-N 3.29Å; F490-D492 VanDerWaalsContact C-N 3.34Å
491T45.3Very low43.1Very low95 Ų95127.7 Ų127.758%0.58367%0.669SS**  trans-98.217.2168.756.80000112.4K488 N493K488-T491 PolarHBondContact O-OG1 3.43Å; T491-N493 PolarHBondContact O-N 2.99Å
492D41.9Very low42.2Very low137 Ų137127.9 Ų127.973%0.73367%0.671SS**  trans-80.1103.6158-101.3-13000107.2F490 T494F490-D492 VanDerWaalsContact C-N 3.34Å; D492-T494 PolarHBondContact O-N 3.49Å
493N49Very low41.5Very low157 Ų157132.6 Ų132.684%0.8469%0.691SS**  trans-62.975.2165.6-64.7-59.8000109.3T491T491-N493 PolarHBondContact O-N 2.99Å
494T46.3Very low41Very low87 Ų87133.6 Ų133.653%0.53470%0.699SS.*  trans-115.157.7164.9-43.90000108.8D492 W496D492-T494 PolarHBondContact O-N 3.49Å; T494-W496 HydrophobicContact CG2-CD2 4.3Å; T494-W496 HydrophobicContact CG2-CG 4.19Å; T494-W496 PolarHBondContact O-N 3.43Å
495D39.7Very low40.7Very low143 Ų143139.1 Ų139.177%0.76572%0.719SS**  trans-74.576.5155.6-73.6-23.5000107.5
496W41.1Very low40Very low227 Ų227137.6 Ų137.686%0.8672%0.721SS**  trans-77124.9156.5-81.1-1.7000107.6T494T494-W496 HydrophobicContact CG2-CD2 4.3Å; T494-W496 HydrophobicContact CG2-CG 4.19Å; T494-W496 PolarHBondContact O-N 3.43Å
497S47Very low39.6Very low118 Ų118144.7 Ų144.783%0.82574%0.743SS**  trans90.267.3177.873.70000117.4
498I34.1Very low39.3Very low130 Ų130148 Ų14867%0.66776%0.764SS**  trans-125.3105133.3-55.4178.4000107.4R500I498-R500 HydrophobicContact CG2-CG 4.38Å; I498-R500 PolarHBondContact O-N 2.88Å; I498-R500 VanDerWaalsContact O-N 3.15Å
499D39.6Very low38.7Very low139 Ų139148.5 Ų148.574%0.74377%0.774SS**  trans-59.6107.4172.3-151.40.8000108.4
500R34.2Very low38Very low213 Ų213147.5 Ų147.580%0.80479%0.785SS**  trans-108.9102.9172.4-65.6-165.4-157.6-157.86.4108.1I498I498-R500 HydrophobicContact CG2-CG 4.38Å; I498-R500 PolarHBondContact O-N 2.88Å; I498-R500 VanDerWaalsContact O-N 3.15Å
501F30.4Very low37.2Very low177 Ų177145.4 Ų145.478%0.77678%0.782SS**PPolyproline II helixtrans-57130.1163.3-75-89.3000109.7
502P35.1Very low36.6Very low119 Ų119149.2 Ų149.277%0.77379%0.792SS**PPolyproline II helixtrans-81.7119.6172.830.1-28.5000109.7
503L32.2Very low36Very low164 Ų164145.8 Ų145.886%0.85979%0.789SS**PPolyproline II helixtrans-84.9136.6156.7-70.6171.8000108.1
504P33.1Very low35.1Very low124 Ų124147.8 Ų147.881%0.80579%0.794SS**PPolyproline II helixtrans-84.4117.6179.931.4-29000110.3
505E32.6Very low34.2Very low196 Ų196152.2 Ų152.292%0.91681%0.809SS**PPolyproline II helixtrans-93.2125.1159.5-78.7-179172.900109
506S31.3Very low33.7Very low116 Ų116155.9 Ų155.981%0.81181%0.812SS**PPolyproline II helixtrans-77.1119.9179.650.60000111.1
507E37.2Very low33Very low189 Ų189153.6 Ų153.688%0.88381%0.81SS**  trans-109.3133.6154.9-70.8-160.9159.400109.7
508P38.5Very low32.1Very low118 Ų118159 Ų15977%0.76681%0.812SS**  trans-91.1116.8174.232.9-26.4000111.3
509N30Very low32.6Very low163 Ų163157.7 Ų157.787%0.87281%0.812SS**  trans34.2117.2137.7-66.9-42.6000119.6
510A32.5Very low31.9Very low107 Ų107156.2 Ų156.288%0.88481%0.813SS**  trans-135.6133.3132.900000109.4
511D30.5Very low32.2Very low134 Ų134150.4 Ų150.472%0.71781%0.805SS**  trans-89.8174.3-163.8-170.116.7000113
512H32.9Very low32.7Very low175 Ų175147.2 Ų147.281%0.8180%0.802SS**  trans90.1123.7173.4-47.1-39.4000114.5
513G29.6Very low32.5Very low65 Ų65149.8 Ų149.867%0.6780%0.803SS**  cis161.1144.99.600000106.1
514E30.1Very low32.5Very low199 Ų199152.3 Ų152.393%0.9381%0.807SS**  trans38.6124.5157.2-57-176.2146.600117.8
515E27Very low32.2Very low181 Ų181150.1 Ų150.185%0.84681%0.808SS**  -166.2145.174.8-157.8167.4-168.400111.7
516R28Very low32.1Very low220 Ų220151.7 Ų151.783%0.8381%0.805SS**  trans-61.1152.1177.3-66.8167.1169.9172.4-2.1110.8
517H27.3Very low32.1Very low179 Ų179151.1 Ų151.183%0.82980%0.796SS**  -171.6105.2112-92.9-67.2000111.1
518R27.9Very low32Very low231 Ų231148.6 Ų148.687%0.87279%0.785SS**  trans-60.9-179.5152-117.6-159.4177.9170.51.1109.6
519P44Very low31.6Very low102 Ų102152.4 Ų152.466%0.66279%0.785SS**  cis-134.2-174.1-41.832.1-12.8000111.5
520S25.8Very low31.6Very low108 Ų108149.5 Ų149.576%0.75578%0.784SS**  120.2122.5127.9-152.30000116.5
521S40.2Very low31.4Very low91 Ų91155.8 Ų155.864%0.63679%0.785SS**  trans-58164.2153.154.70000111.1
522P41.4Very low31.4Very low111 Ų111154.3 Ų154.372%0.72179%0.791SS**  -153.414898.734.8-14.4000117.9
523H30.5Very low31.2Very low172 Ų172154 Ų15480%0.79679%0.792SS**  trans29.4139.9133.6-56.7-35.6000126.1
524K31.6Very low31.4Very low217 Ų217160.6 Ų160.694%0.94380%0.797SS**  137.2141.7124.1-84.7-179.5175.31740109.9
525G27.2Very low31.5Very low79 Ų79159.1 Ų159.181%0.81479%0.787SS**  cis-165.5-162.91.900000105.6
526R31.9Very low32Very low229 Ų229159.8 Ų159.886%0.86479%0.788SS**  cis-175.8134-24.2171.6178.8-169.1-1485.2104.1
527V29.6Very low32.7Very low103 Ų103155.4 Ų155.462%0.62479%0.787SS**  trans70.5142147.8162.50000118.1
528Q35.1Very low32.8Very low137 Ų137150.4 Ų150.464%0.6478%0.784SS**  cis-170.1153.8-3.8-110.1173.99.500110.7
529Y31.2Very low34.1Very low198 Ų198146 Ų14678%0.77679%0.786SS**  trans52.4131.3152.9-59-61.7000120.7
530A28.8Very low33.2Very low102 Ų102144.7 Ų144.784%0.84379%0.79SS**  -158.1161.566.900000115.2
531R29.8Very low33.5Very low238 Ų238145.7 Ų145.790%0.89879%0.791SS**  trans-57.9148.6-172.5-62.8167.2175.3176.4-2.8113.9
532A29.3Very low33Very low103 Ų103148.9 Ų148.985%0.85180%0.796SS**  -153.9142.294.300000114.3
533M29.5Very low32.6Very low169 Ų169151 Ų15183%0.83380%0.796SS**  trans-51.7136.9179.3-66.2-83.9-156.300113.5
534R33.2Very low32.5Very low203 Ų203148.8 Ų148.877%0.76679%0.787SS**  44.5138.985.2-66.9-165.2178.3-157.43.6114.1
535K31.4Very low32.3Very low169 Ų169148.6 Ų148.674%0.73578%0.78SS**  cis-171.9158.6-7.1-103.7179.8-179.9-173.20105.3
536K38.6Very low32.5Very low195 Ų195150.5 Ų150.585%0.84878%0.776SS**  trans-24167.4161.3-61.6-174.5176.9-174.70116.8
537P43.3Very low32.3Very low127 Ų127145.1 Ų145.183%0.82577%0.773SS**  cis-160.1172.838.241.7-18000120.8
538G28.1Very low32.1Very low74 Ų74143.4 Ų143.476%0.76378%0.776SS**  88.3160.5128.200000122.4
539P55.4Low32Very low140 Ų140145.3 Ų145.391%0.90979%0.79SS**  trans-118.1172-148.939.1-24.2000116.4
540G26.1Very low31.9Very low73 Ų73146.6 Ų146.675%0.75379%0.793SS**  trans177.3108.8167.600000118.4
541V31.4Very low32Very low129 Ų129147.5 Ų147.578%0.78279%0.788SS**  trans19.7129.2139.1-165.80000121.8
542H29.5Very low32Very low159 Ų159141.7 Ų141.774%0.73678%0.784SS**  170.9141.4111.3-109.6-49.5000116.6
543Q33.3Very low31.8Very low154 Ų154140.6 Ų140.672%0.7278%0.783SS**  trans69.2149.8145.8-73.4174.518.600119.7
544Q29.1Very low31.9Very low127 Ų127137.9 Ų137.959%0.59378%0.781SS**  cis176.8141.5-12.8170.3164.4-39.800107.4
545R26.8Very low31.7Very low213 Ų213136.3 Ų136.380%0.80479%0.787SS**  trans65.6143.2159.4-79.2174.6-177.6-178-3116.7
546T31.1Very low31.7Very low119 Ų119138.6 Ų138.673%0.7379%0.791SS**  cis-167.4151.6300.30000109.6
547S27.5Very low31.5Very low116 Ų116135 Ų13581%0.81179%0.787SS**  trans21137.9145.360.50000120
548G26.6Very low30.7Very low66 Ų66134.3 Ų134.368%0.6878%0.781SS**  cis153.9160.417.500000109.4
549L31.4Very low30.8Very low177 Ų177138.4 Ų138.493%0.92778%0.78SS**  trans72.2127.2159.2-85.987.8000123
550R30.7Very low29.5Very low225 Ų225136.7 Ų136.785%0.84977%0.767SS**  trans-44.5155.5150.5-48.3173.3-163.3-154.12.1110.8
551T30.2Very low29.6Very low121 Ų121143.8 Ų143.874%0.74277%0.771SS**  173.315466.630.90000109
552S30.1Very low29.4Very low117 Ų117144.2 Ų144.282%0.81877%0.769SS**  trans39.6135.7141.167.90000122.2
553G25.2Very low29.5Very low79 Ų79144.3 Ų144.381%0.81477%0.773SS**  trans166.793153.100000115.4
554S31.7Very low29.4Very low113 Ų113144.5 Ų144.579%0.7978%0.779SS**  trans-47.9149156.3161.60000111.7
555L29.3Very low29.8Very low170 Ų170143.9 Ų143.989%0.8979%0.785SS**  trans-174.7139.8133.3-94.6162.8000111.5
556R30.2Very low29.9Very low217 Ų217140.5 Ų140.582%0.81978%0.782SS**  trans-60.7169.2172.9-76.6-87.9-172.7161.80.2112.6
557P34.1Very low29.8Very low120 Ų120142.3 Ų142.378%0.77979%0.787SS**  -129141.5108.85.516.1000115.5
558T28Very low29.7Very low111 Ų111141.1 Ų141.168%0.68178%0.779SS**  trans-51.8161.1146.912.30000110.9
559E29.1Very low29.7Very low161 Ų161143.5 Ų143.575%0.75278%0.78SS**  cis-176.713330-132.8165.5-175.100110.5
560T27.9Very low29.3Very low104 Ų104146.1 Ų146.164%0.63878%0.778SS**  80129.3127.641.10000126.5
561R28.6Very low29.5Very low221 Ų221145 Ų14583%0.83478%0.779SS**  trans73.5143.4138.9-68172.4-178.8177.82.4117.6
562D28.2Very low29.2Very low138 Ų138146.9 Ų146.974%0.73878%0.784SS**  cis-173.5172.4-20.6-106.8-28000103.7
563I30.4Very low29.4Very low162 Ų162149.2 Ų149.283%0.83179%0.786SS**  trans102.597.5168.8-47.9160.9000114.6
564L31.7Very low29.5Very low158 Ų158153.1 Ų153.183%0.82778%0.783SS**  trans-85.5156.5148.1-74.6168.4000108.3
565P37.6Very low29.3Very low113 Ų113153.8 Ų153.873%0.73478%0.777SS**  -144139.583.229.5-8.3000116.3
566L28.8Very low29Very low142 Ų142149 Ų14974%0.74377%0.768SS**  33.6137.7122.8-84.2164.5000122.3
567L28.8Very low28.7Very low158 Ų158146.4 Ų146.483%0.82777%0.765SS**  trans77.6146.6152.1-61.2166.5000116
568S25.8Very low28.4Very low91 Ų91146.9 Ų146.964%0.63677%0.766SS**  cis-178.4171.8-4.2179.20000106.3
569T25.3Very low29Very low116 Ų116147.6 Ų147.671%0.71277%0.772SS**  trans72.9117.2154.941.20000122.5
570R24.1Very low28.8Very low232 Ų232143.9 Ų143.988%0.87577%0.769SS**  54.4116.7120.8-68.7-178.7172.8179.7-2.2120.2
571K34.8Very low28.6Very low202 Ų202147.4 Ų147.488%0.87878%0.779SS**  trans36.4130.1139.2-66.3-165.9177-174.20119.1
572L24Very low28.5Very low160 Ų160144.1 Ų144.184%0.83877%0.773SS**  trans-155.2126.5135.9-104158000110.5
573L33.7Very low28.3Very low165 Ų165145.6 Ų145.686%0.86478%0.775SS**  trans-87.5136.5154.4-76.5164000107
574H27.1Very low28Very low162 Ų162141.3 Ų141.375%0.7577%0.771SS**  trans-177.8151.9159.8-107.7-46000107.4
575L27.5Very low27.7Very low127 Ų127142.3 Ų142.367%0.66577%0.774SS**  cis-174.116211.617561.2000108.2E577L575-E577 HydrophobicContact CD1-CG 4.41Å; L575-E577 HydrophobicContact CG-CG 4.35Å
576G24.4Very low27.2Very low69 Ų69145.7 Ų145.771%0.71178%0.777SS**  trans163.273.2150.600000112.3
577E23.9Very low27.1Very low162 Ų162144.3 Ų144.376%0.75778%0.775SS**  84.193.791.9-95.8-178.9151.200115.9L575L575-E577 HydrophobicContact CD1-CG 4.41Å; L575-E577 HydrophobicContact CG-CG 4.35Å
578V26.3Very low26.9Very low131 Ų131144.8 Ų144.879%0.79477%0.772SS**  20.1142.9109-174.90000116.5
579P40.6Very low26.9Very low125 Ų125147.2 Ų147.281%0.81278%0.784SS**  -146.417856.122.26000115.9
580A24.6Very low27Very low83 Ų83146.9 Ų146.969%0.68679%0.786SS**  cis-169.4166.7-7.200000108.6
581Q24.7Very low27Very low179 Ų179144.1 Ų144.184%0.83678%0.783SS**  trans60.9121153.1-90.6-176.5-26.500121.5
582Q26Very low26.7Very low152 Ų152142.4 Ų142.471%0.7178%0.783SS**  154.1137.895.4-123.5-177.3-31.100113.6
583E25.1Very low26.9Very low168 Ų168142.7 Ų142.779%0.78578%0.784SS**  trans38.5132.5140.3-95168.3143.700124.5
584G24Very low26.7Very low73 Ų73140.9 Ų140.975%0.75378%0.782SS**  97118.8119.300000121.2
585M25Very low26.5Very low179 Ų179137.8 Ų137.888%0.88279%0.785SS**  trans64.9119.3145.9-85.7-174.3161.200123.5
586K27Very low26.6Very low183 Ų183139.2 Ų139.280%0.79679%0.792SS**  trans32.1130.9134-61.3-176.4174.8-178.20121.1
587T25.5Very low26.8Very low114 Ų114141.9 Ų141.970%0.69980%0.796SS**  136.2129.2113.7-27.60000113.8
588E25.1Very low27Very low167 Ų167142.9 Ų142.978%0.7880%0.801SS**  trans40.1124.4151.9-73.9174.5158.300122
589T25.4Very low27Very low142 Ų142142.7 Ų142.787%0.87180%0.804SS**  170.4157.510329.70000112.5
590S27.3Very low26.7Very low110 Ų110142.3 Ų142.377%0.76980%0.801SS**  trans-65.8-179.4-166.5-51.10000118.9
591E24.8Very low26.8Very low173 Ų173143.1 Ų143.181%0.80880%0.802SS**  trans104.7100.6155.1-60.1-169.816000116.2
592L28.9Very low26.8Very low166 Ų166145.6 Ų145.687%0.86980%0.804SS**  82.6115.379.7-78.2171.7000113.6
593L26.9Very low26.9Very low167 Ų167145 Ų14587%0.87481%0.81SS**PPolyproline II helixtrans-75.9148.1173.8-70.1165.4000111.2
594P29.6Very low26.8Very low126 Ų126141.8 Ų141.882%0.81881%0.805SS**PPolyproline II helixtrans-83.1140.4-174.431.6-32.3000113.5
595A24.8Very low26.9Very low97 Ų97145 Ų14580%0.80281%0.805SS**PPolyproline II helixtrans-81.5158.417600000113.5
596I27.8Very low27Very low158 Ų158144.2 Ų144.281%0.8180%0.798SS**PPolyproline II helixtrans-74.2145.5174.9-61.2166.1000110.2
597P30.2Very low27Very low125 Ų125141.7 Ų141.781%0.81279%0.794SS**PPolyproline II helixtrans-85.3128.2171.7-018.7000112.5
598E26.8Very low27.1Very low183 Ų183140.6 Ų140.686%0.85579%0.791SS**PPolyproline II helixtrans-100.1147.6159.9-70.9-171.2159.900110.7
599C26Very low27.3Very low126 Ų126142.4 Ų142.485%0.85180%0.799SS**  trans169163144.3-93.30000110.4
600P35.4Very low27.4Very low117 Ų117139.3 Ų139.376%0.7680%0.796SS**  cis-137.2175.7-37.436.5-17.6000113.7
601S26Very low27.4Very low101 Ų101144.6 Ų144.671%0.70680%0.799SS**  trans-62.4152.6177.554.60000118.6
602R26.1Very low27.7Very low231 Ų231142.8 Ų142.887%0.87279%0.79SS**  152.1152.7109.2-92.4-166.2168.6-163.8-3.1115.9
603V27.5Very low27.7Very low138 Ų138143.8 Ų143.884%0.83679%0.79SS**  trans84.9142.6157.6-155.70000117.2
604C22.8Very low27.8Very low101 Ų101146.2 Ų146.268%0.68279%0.788SS**  cis174.8144.7-42.3-170.80000105.3
605L26.4Very low27.9Very low142 Ų142150.4 Ų150.474%0.74379%0.794SS**  trans88.2117.4151.8-122.684.3000121.9
606E27.4Very low28.2Very low161 Ų161150.9 Ų150.975%0.75279%0.786SS**  trans60.7144.7141.2-85.9-169.7-176.500121.2
607D26.6Very low28.4Very low130 Ų130152.2 Ų152.270%0.69579%0.789SS**  cis-155.9172.28.3-148.7-15.5000110.6
608S28Very low28.3Very low92 Ų92150.7 Ų150.764%0.64378%0.777SS**  trans-79.1147.1-165.650.40000117.8
609Q28.3Very low28.4Very low204 Ų204147.7 Ų147.795%0.95378%0.775SS**  170.3136.3125-102177.5-9.100113.8
610G27.1Very low28.8Very low77 Ų77152.2 Ų152.279%0.79477%0.774SS**  trans136.394.515500000117
611R28.4Very low29.1Very low221 Ų221156.7 Ų156.783%0.83478%0.782SS**  trans-25.1126.6167.8-86176.2176.8-105.19.4116.6
612Q30.7Very low29.7Very low135 Ų135157.1 Ų157.163%0.63178%0.784SS**  81.6112.694.6-158.716716.300111.7
613E28.6Very low30.6Very low187 Ų187152 Ų15287%0.87478%0.779SS**  -147.7153.666.6-83.1178.4157.700114.8
614R29.1Very low31.4Very low219 Ų219151 Ų15183%0.82677%0.769SS**  trans-99.2122-162.1-73.4174.3173.6163.6-3111.9V616R614-V616 HydrophobicContact CB-CG2 4.07Å
615K33.1Very low32.6Very low214 Ų214153.8 Ų153.893%0.9378%0.776SS**  trans-86.8118.6145.1-81.4-179.6177.5177.60107.2
616V29.7Very low33.3Very low107 Ų107151.4 Ų151.465%0.64877%0.771SS**  trans-127.5103.9172.9174.40000108.8R614 V618R614-V616 HydrophobicContact CB-CG2 4.07Å; V616-V618 HydrophobicContact CG1-CB 4.23Å; V616-V618 HydrophobicContact CG1-CG2 3.32Å
617Q32.3Very low33.7Very low186 Ų186148.1 Ų148.187%0.86977%0.765SS**  trans-81119.8157.7-179177.110.900106.7
618V27.9Very low34.2Very low92 Ų92147.9 Ų147.956%0.55877%0.77SS**  trans-133.7108.2172.5164.50000108.9V616 R620V616-V618 HydrophobicContact CG1-CB 4.23Å; V616-V618 HydrophobicContact CG1-CG2 3.32Å; V618-R620 HydrophobicContact CG1-CG 3.46Å; V618-R620 VanDerWaalsContact CG1-CG 3.46Å
619C29.7Very low34.5Very low120 Ų120152.1 Ų152.181%0.81178%0.782SS**  trans-72.7130.6149.9-68.10000107.7
620R33.5Very low35.1Very low222 Ų222148.2 Ų148.284%0.83877%0.772SS**  trans-119.6119.4159.2-68.6-164.6173.5-178-4.3109.7V618V618-R620 HydrophobicContact CG1-CG 3.46Å; V618-R620 VanDerWaalsContact CG1-CG 3.46Å
621K42.3Very low35.5Very low211 Ų211149 Ų14992%0.91777%0.771SS**  trans-108.583.2162.5-78.6-179.4174.9-179.80107
622S39.6Very low35.7Very low109 Ų109146 Ų14676%0.76277%0.771SS**  trans174.3141.3157.1490000109.3
623V45Very low36Very low124 Ų124144.4 Ų144.475%0.75277%0.774SS**  trans-103.5131.3174.7179.40000107.4
624D42.5Very low36.1Very low118 Ų118141.9 Ų141.963%0.63177%0.772SS**  trans-75121.1177.2-173.1-5.9000109.7S626D624-S626 WeakPolarHBondContact OD1-CB 3.27Å; D624-S626 PolarHBondContact OD1-N 3.45Å; D624-S626 VanDerWaalsContact OD1-N 3.09Å; D624-S626 PolarHBondContact OD1-OG 2.88Å; D624-S626 PolarHBondContact OD2-OG 3.21Å
625L48.7Very low36.4Very low159 Ų159139.8 Ų139.883%0.83277%0.771SS**  trans-94.26.8-177-64.1175000113C627L625-C627 VanDerWaalsContact C-N 3.35Å
626S40.6Very low36.4Very low92 Ų92136.7 Ų136.764%0.64377%0.765SS**SBendtrans-87.33.8-17765.90000114.9D624D624-S626 WeakPolarHBondContact OD1-CB 3.27Å; D624-S626 PolarHBondContact OD1-N 3.45Å; D624-S626 VanDerWaalsContact OD1-N 3.09Å; D624-S626 PolarHBondContact OD1-OG 2.88Å; D624-S626 PolarHBondContact OD2-OG 3.21Å
627C35.3Very low36.7Very low92 Ų92136.8 Ų136.862%0.62277%0.77SS**SBendtrans-119129.6178.8-67.90000111.3L625 M629L625-C627 VanDerWaalsContact C-N 3.35Å; C627-M629 PolarHBondContact O-N 2.95Å
628P38.7Very low36.8Very low124 Ų124132.3 Ų132.381%0.80577%0.765SS**  trans-66.7119.8176.126.1-31.5000110.5V630P628-V630 PolarHBondContact O-N 3.06Å
629M34.3Very low37.1Very low182 Ų182136.3 Ų136.390%0.89778%0.777SS**  trans-78.5108.5177.9-132.9-172.4-43.700109.3C627C627-M629 PolarHBondContact O-N 2.95Å
630V40.1Very low37.3Very low121 Ų121135.7 Ų135.773%0.73378%0.775SS**  trans-87.7109.9170.4-179.60000108.1P628 L632P628-V630 PolarHBondContact O-N 3.06Å; V630-L632 HydrophobicContact CG1-CD2 4.5Å; V630-L632 PolarHBondContact O-N 3.19Å
631A35.9Very low37.7Very low94 Ų94135.2 Ų135.278%0.77777%0.773SS**  trans-80.1107.5170.100000109.2S633A631-S633 PolarHBondContact O-N 3.15Å
632L32.5Very low37.6Very low158 Ų158135.6 Ų135.683%0.82777%0.77SS**  trans-76.795.9164.8-66.9175.4000108V630 V634V630-L632 HydrophobicContact CG1-CD2 4.5Å; V630-L632 PolarHBondContact O-N 3.19Å; L632-V634 PolarHBondContact O-N 3.49Å
633S36.8Very low37.3Very low101 Ų101133.8 Ų133.871%0.70677%0.769SS**  trans-75.7115.4164.548.80000108.7A631 Q635A631-S633 PolarHBondContact O-N 3.15Å; S633-Q635 PolarHBondContact O-N 2.9Å; S633-Q635 VanDerWaalsContact O-N 3.16Å
634V31.4Very low37Very low135 Ų135138 Ų13882%0.81878%0.777SS**  trans-70107.6167-178.90000107L632L632-V634 PolarHBondContact O-N 3.49Å
635Q35Very low36.9Very low175 Ų175143.8 Ų143.882%0.81879%0.79SS**  trans-77.1121.6167.4-74.8177.4-4200109.1S633S633-Q635 PolarHBondContact O-N 2.9Å; S633-Q635 VanDerWaalsContact O-N 3.16Å
636N31.6Very low36.3Very low149 Ų149145.6 Ų145.680%0.79779%0.792SS**  trans-102.2123.9147.6-85.2-10.9000107.1
637S37.6Very low36.1Very low108 Ų108149.1 Ų149.176%0.75580%0.803SS**  trans-16.1118.8171.852.60000116.3
638A34.1Very low36Very low92 Ų92150 Ų15076%0.7681%0.809SS**  52.5119.391.900000113.1
639E33.9Very low35.9Very low176 Ų176154.3 Ų154.382%0.82281%0.81SS**  -140.913465.1-66.7178.716600113.8
640S33.8Very low36.2Very low108 Ų108151 Ų15176%0.75580%0.802SS**  trans-110133.7169171.20000109.2
641R42.7Very low36.1Very low212 Ų212150.8 Ų150.880%0.880%0.803SS**  trans-107.43.2175-69.4-163-164.6-175.26.2115.2
642Y38.5Very low36.4Very low219 Ų219153.7 Ų153.786%0.85980%0.804SS**SBendtrans-147.9111.8178.3-73.4-80.8000113.3
643G35.1Very low37Very low71 Ų71150.8 Ų150.873%0.73279%0.793SS**  trans80.6113.7141.400000119.3
644F38.5Very low37.2Very low212 Ų212155 Ų15593%0.9380%0.802SS**  trans-54.2137.8158-87-101.2000111.2
645R40.4Very low37.6Very low240 Ų240156.7 Ų156.791%0.90680%0.801SS**  trans-122.1126.1162.7-71.1-163.1178.9-115.71.5110.5
646F35.2Very low38.1Very low196 Ų196155.1 Ų155.186%0.8680%0.797SS**  trans-64.2134.6169.3-70.1-93.8000110C648F646-C648 PolarHBondContact O-N 3.08Å
647L36.3Very low38.7Very low167 Ų167157 Ų15787%0.87480%0.799SS**  trans-79112.1166.2-73166000108.2Y649L647-Y649 PolarHBondContact O-N 3.09Å
648C33.8Very low39Very low111 Ų111163 Ų16375%0.7581%0.805SS**  trans-9184.9170.8-71.10000110.3F646F646-C648 PolarHBondContact O-N 3.08Å
649Y36.3Very low39.6Very low214 Ų214170.1 Ų170.184%0.83981%0.812SS**  trans-144125.5155.2-70.8-74.6000109.2L647L647-Y649 PolarHBondContact O-N 3.09Å
650P39.9Very low39.9Very low111 Ų111172.8 Ų172.872%0.72183%0.831SS**  trans-74.2150.7168.530.5-30.4000110.3I652P650-I652 PolarHBondContact O-N 3.09Å
651P39.6Very low40.2Very low118 Ų118176 Ų17677%0.76683%0.834SS**  trans-66.7129.1-179.127-32.4000110.6T653P651-T653 PolarHBondContact O-N 3.4Å
652I41.4Very low40.1Very low154 Ų154174.1 Ų174.179%0.7984%0.836SS**  trans-68.4109174.8-59.1166.9000107.4P650P650-I652 PolarHBondContact O-N 3.09Å
653T44.3Very low40.2Very low98 Ų98171.6 Ų171.660%0.60184%0.835SS**  trans-82.6151.5171.147.10000110.6P651 E655P651-T653 PolarHBondContact O-N 3.4Å; T653-E655 PolarHBondContact O-N 3.26Å
654E40.7Very low40.5Very low188 Ų188177.5 Ų177.588%0.87984%0.841SS**G310 helixtrans-54.9-3.3-176.5-84.9178.2130.300116.2L656E654-L656 VanDerWaalsContact C-N 3.34Å; E654-L656 PolarHBondContact O-N 3.41Å
655E41.8Very low40.6Very low171 Ų171175.4 Ų175.480%0.79984%0.835SS**G310 helixtrans-78-15.9-172.1-135.3164.5-173.700113.9T653T653-E655 PolarHBondContact O-N 3.26Å
656L43.8Very low40.6Very low143 Ų143171.1 Ų171.175%0.74983%0.831SS**G310 helixtrans-83.1-12.8178.6-94.8164.3000114.9E654E654-L656 VanDerWaalsContact C-N 3.34Å; E654-L656 PolarHBondContact O-N 3.41Å
657F44.9Very low41Very low188 Ų188169.3 Ų169.383%0.82583%0.829SS**G310 helixtrans-86.6-3.8178.7-91.3-75.9000114.4
658R44.1Very low41.4Very low233 Ų233169.5 Ų169.588%0.87983%0.825SS**G310 helixtrans-101.715.2-176.6-126.3-158.7-84.5-144.82.1115.3
659R45.8Very low42Very low242 Ų242174.3 Ų174.391%0.91383%0.831SS**  trans-135.727.6177.8-86.4-169.4177.5170.50.7115.2
660L41.4Very low42.5Very low232 Ų232170.7 Ų170.7100%1.21583%0.831SS**  trans-120.20162-86.5165000110

Retrieved 660 of 660 residues in 112.7 ms (Link to these results)