A0A087XVT5_POEFO Loading...

RNA binding motif protein 34

AlphaFold DB , UniProt , Accession A0A087XVT5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 414 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
1M36.4Very low41.6Very low229 Ų229182.4 Ų182.4100%1.12883%0.831SS**  0126.90-77157.872.500109.2
2K39.5Very low41.2Very low191 Ų191178.9 Ų178.983%0.8382%0.824SS**  trans55.3108.1156.4-58.5176.9179177.50117.9
3K42.3Very low41Very low201 Ų201178.2 Ų178.287%0.87483%0.828SS**  91.5140.262.7-92.4-167.1177.9-179.10114.8
4K47.7Very low40.5Very low191 Ų191170.9 Ų170.983%0.8383%0.825SS**  trans106.8112.7160-69.4-179.6171.5-178.10113.6
5V48.3Very low40.3Very low112 Ų112171.5 Ų171.568%0.67983%0.826SS**  cis69.6107.134.4-166.70000114.9H7V5-H7 HydrophobicContact CG1-CB 4.27Å
6H45.4Very low40Very low192 Ų192171.1 Ų171.189%0.88982%0.823SS**  trans-143.1120.8142.8-847.2000103.9
7H38.1Very low40Very low157 Ų157166.9 Ų166.973%0.72782%0.815SS**  cis73.298.727.8-118.468.2000116.6V5V5-H7 HydrophobicContact CG1-CB 4.27Å
8R40Very low40.1Very low233 Ų233163.7 Ų163.788%0.87981%0.813SS**  trans155.6110.8136.2-95.2177.7161.4169.2-4.7108.1
9E40.3Very low40.3Very low151 Ų151160.4 Ų160.471%0.70681%0.814SS**  68.6111.457.1-157.2-178.5-146.900114.3
10K42Very low40.3Very low202 Ų202163.7 Ų163.788%0.87882%0.817SS**  trans-179.8114.8144.2-98174.4-176.8-170.50107.2
11M37.1Very low40.6Very low147 Ų147161 Ų16172%0.72482%0.82SS**  53.3123.470.4-68.6-79.3170.300110.1
12L37.3Very low40.8Very low141 Ų141156.5 Ų156.574%0.73881%0.806SS**  cis-166.6146.327.2-92.4147.3000108.6
13L38.3Very low40.8Very low169 Ų169150.6 Ų150.689%0.88580%0.799SS**  42.2128117-111.694.8000119.2
14G33.8Very low40.8Very low76 Ų76150.5 Ų150.578%0.78480%0.802SS**  trans169.7108.4159.900000114.3
15Q37.8Very low40.6Very low180 Ų180148.2 Ų148.284%0.84180%0.803SS**  trans-54.7157158.8-69.8156.1-65.700109.4
16E36.7Very low40.4Very low165 Ų165148.5 Ų148.577%0.77181%0.81SS**  173.9159.260.5-143.8164.6-139.700109.8
17S38.8Very low40.1Very low100 Ų100142.7 Ų142.770%0.69980%0.802SS**  trans77.3113.5146.270.70000123.5
18S41.5Very low40.5Very low110 Ų110141.4 Ų141.477%0.76981%0.811SS**  trans50.1118.1131.764.70000122.2
19A44.1Very low40.4Very low100 Ų100137 Ų13783%0.82680%0.804SS**  -162.5101.4129.400000110.3
20Y41.2Very low40.3Very low226 Ų226138 Ų13889%0.88681%0.807SS**  trans-68.3123163.9-89.3-99.1000108.9
21A46.5Very low40.1Very low107 Ų107138.3 Ų138.388%0.88481%0.808SS**  trans-98.499.3165.900000109.1
22V40Very low40.2Very low136 Ų136139.3 Ų139.382%0.82481%0.811SS**  trans-87.5136.5170.7170.40000108.7
23G39.4Very low40.1Very low66 Ų66137.3 Ų137.368%0.6881%0.809SS**  trans121.2102.5154.300000115.7
24Q43.5Very low40Very low200 Ų200134.2 Ų134.294%0.93580%0.801SS**  -173.695.3109.5-94.8-164.7-13.100108.9
25V43.4Very low40.6Very low143 Ų143139.2 Ų139.287%0.86780%0.804SS**  trans-113.4102.5156.6179.40000104.9
26S44.4Very low41.2Very low118 Ų118135.9 Ų135.983%0.82580%0.798SS**  trans-72.5125.7155.147.60000106
27G38Very low41.7Very low70 Ų70132.9 Ų132.972%0.72280%0.796SS**  cis103.882.830.100000107.9
28S45.9Very low42.1Very low130 Ų130131.9 Ų131.991%0.90980%0.801SS**  trans-157.4115.2138.6-162.20000109.8
29L39.4Very low42.7Very low141 Ų141130.8 Ų130.874%0.73879%0.793SS**  trans-116.9139.6-172.7-159.375.2000105.5
30F37.5Very low43.3Very low172 Ų172133 Ų13375%0.75479%0.791SS**  trans77.9113164.3-67.1-69.5000120.5
31K37.1Very low44.1Very low208 Ų208126.4 Ų126.490%0.90478%0.777SS**  -148.5131114.4-145.9163.9-177.6177.20111.5
32Q39.1Very low44.6Very low167 Ų167125.3 Ų125.378%0.7877%0.768SS**  trans-59.2161.4169.2-59.4160.2-47.800109.5
33S35.5Very low45.4Very low100 Ų100125.3 Ų125.370%0.69976%0.763SS**  cis-175.2163.240.950.80000111
34S36.9Very low46Very low104 Ų104130.9 Ų130.973%0.72777%0.769SS**  trans65.2116.314261.30000122
35E45.9Very low46.1Very low180 Ų180127 Ų12784%0.84176%0.759SS**  trans-36.3146.8149.1-69.9-82.7145.400113.7
36P49.5Very low47.1Very low110 Ų110125.8 Ų125.871%0.71475%0.752SS**  -141.8137111.734.2-18.9000115.1
37S48.1Very low47.8Very low103 Ų103126.1 Ų126.172%0.7275%0.751SS**  trans25.4105.714262.60000117.9
38G46.9Very low48.5Very low78 Ų78130.2 Ų130.280%0.80476%0.756SS**  trans-61.6131.6169.100000113
39S54.9Low49Very low88 Ų88130 Ų13062%0.61575%0.751SS**  trans-74.2128.7169.1-179.50000110.3S41S39-S41 PolarHBondContact O-N 3.18Å; S39-S41 PolarHBondContact OG-OG 3.07Å
40L56.8Low49.6Very low147 Ų147128 Ų12877%0.7776%0.755SS**G310 helixtrans-63.5-1.2179.2-75.5163.7000114.6A42L40-A42 VanDerWaalsContact C-N 3.31Å; L40-A42 PolarHBondContact O-N 3.33Å
41S56.5Low50.5Low87 Ų87125.3 Ų125.361%0.60876%0.758SS**G310 helixtrans-79-6.1-179.550.50000114.9S39 L43S39-S41 PolarHBondContact O-N 3.18Å; S39-S41 PolarHBondContact OG-OG 3.07Å; S41-L43 VanDerWaalsContact C-N 3.3Å; S41-L43 PolarHBondContact O-N 3.3Å
42A58.7Low51Low84 Ų84120.1 Ų120.169%0.69475%0.748SS**G310 helixtrans-80.8-3.5177.100000114.6L40L40-A42 VanDerWaalsContact C-N 3.31Å; L40-A42 PolarHBondContact O-N 3.33Å
43L55.8Low51.4Low136 Ų136118 Ų11871%0.71275%0.751SS**G310 helixtrans-95.3-2.4-175.8-69.4172.9000114.9S41S41-L43 VanDerWaalsContact C-N 3.3Å; S41-L43 PolarHBondContact O-N 3.3Å
44F52Low51.7Low182 Ų182120.9 Ų120.980%0.79876%0.758SS**  trans-122.614.3-176-70.2-73.5000115.5T46F44-T46 PolarHBondContact O-N 2.98Å
45T47Very low52.5Low120 Ų120124.9 Ų124.974%0.73676%0.762SS**  trans-89102.1176.9-54.50000110.9
46T63.1Low52.6Low116 Ų116124.8 Ų124.871%0.71276%0.762SS**PPolyproline II helixtrans-70.3127.7171510000110.9F44F44-T46 PolarHBondContact O-N 2.98Å
47P59.8Low52.5Low125 Ų125124.1 Ų124.181%0.81276%0.758SS**PPolyproline II helixtrans-76.3128173.328.1-29.8000111.2
48L52.7Low52.5Low157 Ų157125.4 Ų125.482%0.82276%0.761SS**PPolyproline II helixtrans-64143.7170.2-10278.5000111A50L48-A50 PolarHBondContact O-N 2.76Å
49P56.8Low52.3Low124 Ų124127.1 Ų127.181%0.80576%0.758SS**PPolyproline II helixtrans-73.6121.4179.828.8-32.4000111.3
50A50.6Low51.8Low99 Ų99132.6 Ų132.682%0.81877%0.771SS**PPolyproline II helixtrans-67.1135.5167.600000110.1L48L48-A50 PolarHBondContact O-N 2.76Å
51S56.5Low50.7Low117 Ų117135.4 Ų135.482%0.81878%0.777SS**PPolyproline II helixtrans-56.2141.5-172.343.60000114.8S53S51-S53 PolarHBondContact O-N 3.46Å
52S47.7Very low49.3Very low99 Ų99141.9 Ų141.969%0.69279%0.788SS**PPolyproline II helixtrans-63.7120.6168.353.80000110.5L54S52-L54 PolarHBondContact O-N 3.05Å; S52-L54 VanDerWaalsContact O-N 3.13Å
53S47.3Very low48.2Very low122 Ų122145.8 Ų145.885%0.85380%0.795SS**  trans-71.4103.1166.3390000109.4S51 F55S51-S53 PolarHBondContact O-N 3.46Å; S53-F55 PolarHBondContact O-N 2.74Å
54L43.2Very low47.1Very low160 Ų160146.7 Ų146.784%0.83880%0.796SS**  trans-67.2125.1173.3-74.7162.6000110S52 Q56S52-L54 PolarHBondContact O-N 3.05Å; S52-L54 VanDerWaalsContact O-N 3.13Å; L54-Q56 PolarHBondContact O-N 3.24Å
55F53.1Low46Very low188 Ų188147.7 Ų147.783%0.82580%0.8SS**  trans-72113.4172.8176.9-98.4000110S53 P57S53-F55 PolarHBondContact O-N 2.74Å; F55-P57 HydrophobicContact CE1-CB 4.19Å
56Q48Very low45.1Very low178 Ų178148.6 Ų148.683%0.83281%0.805SS**  trans-100.5112.6175.2-168172.8-7.700109.9L54L54-Q56 PolarHBondContact O-N 3.24Å
57P47.7Very low43.4Very low96 Ų96149.2 Ų149.262%0.62381%0.809SS**PPolyproline II helixtrans-75.3131.2178.627.3-30.8000111.5F55F55-P57 HydrophobicContact CE1-CB 4.19Å
58V48.3Very low41.9Very low130 Ų130152.7 Ų152.779%0.78882%0.815SS**PPolyproline II helixtrans-65.9130.7175.4177.80000110.5K60V58-K60 PolarHBondContact O-N 3.37Å
59P41.3Very low40.7Very low115 Ų115148.9 Ų148.975%0.74781%0.813SS**PPolyproline II helixtrans-71.6127.8179.326.6-32.1000111.9K61P59-K61 PolarHBondContact O-N 3.32Å
60K44.4Very low39.3Very low203 Ų203150.9 Ų150.988%0.88382%0.817SS**PPolyproline II helixtrans-73.2120.4173.9-67.3176.7-179.7175.60109.8V58 R62V58-K60 PolarHBondContact O-N 3.37Å; K60-R62 PolarHBondContact O-N 3.31Å
61K34.1Very low38.2Very low206 Ų206153.2 Ų153.290%0.89681%0.811SS**PPolyproline II helixtrans-64.6117.8170.4-73.8-175178.3-177.50109.8P59P59-K61 PolarHBondContact O-N 3.32Å
62R28Very low36.9Very low222 Ų222154.5 Ų154.584%0.83880%0.804SS**  trans-82.9109.2174.4-175.4177.8-172.4178.41108.2K60 Q64K60-R62 PolarHBondContact O-N 3.31Å; R62-Q64 PolarHBondContact O-N 3.32Å
63I35.3Very low35.9Very low166 Ų166156.5 Ų156.585%0.85180%0.802SS**  trans-74.9114.5169-62.2172.9000106.9
64Q31.3Very low34.8Very low156 Ų156158.4 Ų158.473%0.72980%0.795SS**  trans-81.7137.8171.1-63.5-174.219.800109R62R62-Q64 PolarHBondContact O-N 3.32Å
65K29.7Very low34.1Very low203 Ų203158 Ų15888%0.88379%0.794SS**  trans-66.4131.1163.7-81.6175.5169.8-178.90108.6
66T27.4Very low32.8Very low138 Ų138152.2 Ų152.285%0.84779%0.787SS**  trans-125.9121.4149.944.10000108.1
67T28.2Very low31.8Very low129 Ų129152.2 Ų152.279%0.79179%0.792SS**  trans-81.8152.6161.5190000109.1
68E29.1Very low30.8Very low199 Ų199155.5 Ų155.593%0.9380%0.799SS**  trans127115.9173.4-76169.5-153.100106.9
69G25.9Very low29.8Very low76 Ų76156.1 Ų156.178%0.78480%0.802SS**  cis123.693.522.300000107.1
70N27.5Very low29.1Very low167 Ų167159.1 Ų159.189%0.89380%0.804SS**  trans-168.5157.1141.1-136.3-9.1000113.6
71E27.8Very low28.4Very low147 Ų147155.3 Ų155.369%0.68780%0.797SS**  trans-85168.4-160.5-80.8-177.6171.200117.3
72Q29.2Very low28.1Very low145 Ų145154.5 Ų154.568%0.67879%0.794SS**  trans92.6111.7141-82.5166.742.400121.4
73Q27.1Very low28.2Very low140 Ų140152.7 Ų152.765%0.65480%0.795SS**  84116.8123.2-76-175.92500122.1
74K25.2Very low28Very low163 Ų163153.5 Ų153.571%0.70980%0.797SS**  94133120.4-79.7-175-177.6-177.80120.9
75D27.3Very low27.9Very low152 Ų152155.6 Ų155.681%0.81380%0.804SS**  trans84128146.1-56.7-19.6000121.2
76G26Very low27.9Very low65 Ų65153.8 Ų153.867%0.6780%0.804SS**  trans10295.6131.200000118.9
77L26.7Very low28.2Very low178 Ų178156.5 Ų156.593%0.93280%0.804SS**  60.7146126-72.8156.2000122.7
78E26.7Very low28.5Very low166 Ų166156 Ų15678%0.77680%0.803SS**  trans83.692.2163-68.1-163.8152.300120.5K80E78-K80 PolarHBondContact O-N 3.29Å
79V27.4Very low29.3Very low142 Ų142154.6 Ų154.686%0.86180%0.8SS**  trans-7199.6156.9179.30000109.4V81V79-V81 HydrophobicContact CG1-CG2 4.05Å
80K26.3Very low30.2Very low178 Ų178162 Ų16277%0.77481%0.805SS**  trans-94.8101.3164.8-129.2169.8-171.8159.90109.3E78 K82E78-K80 PolarHBondContact O-N 3.29Å; K80-K82 PolarHBondContact O-N 3.07Å
81V29.3Very low31.3Very low124 Ų124163.8 Ų163.875%0.75280%0.804SS**  trans-68.1101.3171.5179.10000108.8V79V79-V81 HydrophobicContact CG1-CG2 4.05Å
82K28.7Very low32.6Very low188 Ų188160 Ų16082%0.81779%0.792SS**  trans-91.5110.3163.2-93.2-178.8176.6175.50109.2K80 M84K80-K82 PolarHBondContact O-N 3.07Å; K82-M84 PolarHBondContact O-N 3.05Å
83Q31.1Very low34.6Very low184 Ų184156.2 Ų156.286%0.8678%0.781SS**PPolyproline II helixtrans-52.1119.9168.2-70176.6-14.500110.7
84M29.3Very low36.5Very low184 Ų184154.4 Ų154.491%0.90678%0.779SS**PPolyproline II helixtrans-87116.8166.4-82.3-164.7153.100109.8K82K82-M84 PolarHBondContact O-N 3.05Å
85K29.1Very low38.3Very low199 Ų199149.4 Ų149.487%0.86577%0.768SS**PPolyproline II helixtrans-56.5130.7174.4-64.3174.7176.7179.70110.6K87K85-K87 PolarHBondContact O-N 2.75Å
86N31.1Very low40.1Very low166 Ų166146.8 Ų146.889%0.88875%0.751SS**PPolyproline II helixtrans-54.6121172.1-78.2-22.6000110.8
87K33.9Very low42.1Very low194 Ų194147.3 Ų147.384%0.84374%0.736SS**PPolyproline II helixtrans-79143.3166.3-73.4179.6179.2176.70109.3K85K85-K87 PolarHBondContact O-N 2.75Å
88P34.8Very low44Very low120 Ų120144.9 Ų144.978%0.77972%0.72SS**PPolyproline II helixtrans-69.9141.1-175.428.3-33.2000111.6R90P88-R90 PolarHBondContact O-N 2.73Å
89I44.1Very low45.9Very low169 Ų169141.6 Ų141.687%0.86771%0.707SS**  trans-57.9113.4176.6-65.1160.7000108.7K91I89-K91 PolarHBondContact O-N 3.01Å
90R44.9Very low47.6Very low231 Ų231139.1 Ų139.187%0.87269%0.689SS**PPolyproline II helixtrans-64.9125.9170.8-74.6-179.4170.7176.7-4.2108.3P88 T92P88-R90 PolarHBondContact O-N 2.73Å; R90-T92 PolarHBondContact O-N 3.29Å
91K52.3Low49.6Very low204 Ų204133.6 Ų133.689%0.88767%0.668SS**PPolyproline II helixtrans-60.5118169.6-64.9177.9-178.7177.60107.3I89 S93I89-K91 PolarHBondContact O-N 3.01Å; K91-S93 PolarHBondContact O-N 3.27Å
92T54.5Low51.2Low69 Ų69134.1 Ų134.142%0.42366%0.656SS.*PPolyproline II helixtrans-58.3133.1176.846.50000109.3R90 E96R90-T92 PolarHBondContact O-N 3.29Å; T92-E96 WeakPolarHBondContact CA-OE2 3.21Å; T92-E96 HydrophobicContact CG2-CG 4.45Å
93S70.9Confident52.5Low64 Ų64130.1 Ų130.145%0.44864%0.64SS.*PPolyproline II helixtrans-64.4156.9179680000110.8K91 A95 E96 E97K91-S93 PolarHBondContact O-N 3.27Å; S93-A95 PolarHBondContact O-N 2.93Å; S93-A95 VanDerWaalsContact O-N 3.14Å; S93-E96 PolarHBondContact N-OE2 2.99Å; S93-E96 WeakPolarHBondContact O-CA 3.39Å; S93-E96 WeakPolarHBondContact O-CB 3.18Å; S93-E96 PolarHBondContact O-N 3.5Å; S93-E96 WeakPolarHBondContact OG-CB 3.25Å; S93-E96 PolarHBondContact OG-N 3.25Å; S93-E97 PolarHBondContact O-N 2.89Å
94V67.3Low53.9Low103 Ų103123.9 Ų123.962%0.62462%0.617SS**Hα-helixtrans-55.4-34178.7177.60000111.6Q98V94-Q98 WeakPolarHBondContact O-CB 3.34Å; V94-Q98 VanDerWaalsContact O-CG 3.23Å; V94-Q98 WeakPolarHBondContact O-CG 3.46Å; V94-Q98 PolarHBondContact O-N 3.37Å
95A61.5Low55.2Low57 Ų57116.9 Ų116.947%0.47159%0.586SS.*Hα-helixtrans-67.8-37.9175.500000112.6S93 Q98 L99S93-A95 PolarHBondContact O-N 2.93Å; S93-A95 VanDerWaalsContact O-N 3.14Å; A95-Q98 PolarHBondContact O-N 3.14Å; A95-L99 WeakPolarHBondContact O-CB 3.47Å; A95-L99 WeakPolarHBondContact O-CG 3.49Å; A95-L99 PolarHBondContact O-N 2.96Å
96E66.9Low56.2Low97 Ų97111.1 Ų111.145%0.45356%0.564SS.*Hα-helixtrans-72.1-36.8179.1-157.9169.1-156.100111.2T92 S93 L99 L100T92-E96 WeakPolarHBondContact CA-OE2 3.21Å; T92-E96 HydrophobicContact CG2-CG 4.45Å; S93-E96 PolarHBondContact N-OE2 2.99Å; S93-E96 WeakPolarHBondContact O-CA 3.39Å; S93-E96 WeakPolarHBondContact O-CB 3.18Å; S93-E96 PolarHBondContact O-N 3.5Å; S93-E96 WeakPolarHBondContact OG-CB 3.25Å; S93-E96 PolarHBondContact OG-N 3.25Å; E96-L99 PolarHBondContact O-N 3.23Å; E96-L100 WeakPolarHBondContact O-CB 3.45Å; E96-L100 VanDerWaalsContact O-CG 3.28Å; E96-L100 WeakPolarHBondContact O-CG 3.34Å; E96-L100 PolarHBondContact O-N 3.34Å
97E67.1Low56.9Low76 Ų76109.6 Ų109.636%0.35556%0.555SS.*Hα-helixtrans-65.2-38169-70.9-156.1134.300112.8S93 N101 K172S93-E97 PolarHBondContact O-N 2.89Å; E97-N101 VanDerWaalsContact O-CB 3.31Å; E97-N101 WeakPolarHBondContact O-CB 3.39Å; E97-N101 PolarHBondContact O-N 2.86Å; E97-N101 PolarHBondContact O-ND2 3.34Å; E97-K172 IonicContact OE1-NZ 3.26Å; E97-K172 PolarHBondContact OE1-NZ 3.17Å; E97-K172 IonicContact OE2-NZ 2.68Å; E97-K172 PolarHBondContact OE2-NZ 3.38Å
98Q67.1Low57.8Low128 Ų128103.2 Ų103.260%0.59853%0.533SS*.Hα-helixtrans-67.4-39176.3-76.3176100111.7V94 A95 R102V94-Q98 WeakPolarHBondContact O-CB 3.34Å; V94-Q98 VanDerWaalsContact O-CG 3.23Å; V94-Q98 WeakPolarHBondContact O-CG 3.46Å; V94-Q98 PolarHBondContact O-N 3.37Å; A95-Q98 PolarHBondContact O-N 3.14Å; Q98-R102 VanDerWaalsContact O-CB 3.3Å; Q98-R102 WeakPolarHBondContact O-CB 3.09Å; Q98-R102 PolarHBondContact O-N 3.16Å
99L65.3Low58.3Low97 Ų9798.4 Ų98.451%0.50850%0.503SS..Hα-helixtrans-65.3-47.6173.6-75.5169.9000111.3A95 E96 N101 R102 E103A95-L99 WeakPolarHBondContact O-CB 3.47Å; A95-L99 WeakPolarHBondContact O-CG 3.49Å; A95-L99 PolarHBondContact O-N 2.96Å; E96-L99 PolarHBondContact O-N 3.23Å; L99-N101 VanDerWaalsContact C-N 3.33Å; L99-N101 PolarHBondContact O-N 3.44Å; L99-R102 CarbonylContact O-C 3.6Å; L99-R102 WeakPolarHBondContact O-CA 3.27Å; L99-R102 WeakPolarHBondContact O-CB 3.31Å; L99-R102 PolarHBondContact O-N 3.05Å; L99-E103 WeakPolarHBondContact O-CB 3.41Å; L99-E103 VanDerWaalsContact O-CG 3.31Å; L99-E103 WeakPolarHBondContact O-CG 3.37Å; L99-E103 PolarHBondContact O-N 3.23Å
100L64.6Low58Low90 Ų9094.8 Ų94.847%0.47149%0.485SS..Hα-helixtrans-61.5-38.8176.4-75.1165.6000112.6E96 R102 E103 S104E96-L100 WeakPolarHBondContact O-CB 3.45Å; E96-L100 VanDerWaalsContact O-CG 3.28Å; E96-L100 WeakPolarHBondContact O-CG 3.34Å; E96-L100 PolarHBondContact O-N 3.34Å; L100-R102 VanDerWaalsContact C-N 3.34Å; L100-E103 PolarHBondContact O-N 3.25Å; L100-S104 VanDerWaalsContact O-CB 3.3Å; L100-S104 WeakPolarHBondContact O-CB 3.37Å; L100-S104 PolarHBondContact O-N 3.31Å; L100-S104 PolarHBondContact O-OG 3.31Å
101N66.9Low58.3Low62 Ų6287.9 Ų87.933%0.33247%0.469SS..Hα-helixtrans-65.9-36.8173.4-74.7-24.7000111.9E97 L99 S104 S105E97-N101 VanDerWaalsContact O-CB 3.31Å; E97-N101 WeakPolarHBondContact O-CB 3.39Å; E97-N101 PolarHBondContact O-N 2.86Å; E97-N101 PolarHBondContact O-ND2 3.34Å; L99-N101 VanDerWaalsContact C-N 3.33Å; L99-N101 PolarHBondContact O-N 3.44Å; N101-S104 WeakPolarHBondContact CA-OG 3.44Å; N101-S104 PolarHBondContact O-OG 3.05Å; N101-S104 VanDerWaalsContact O-OG 3.08Å; N101-S105 VanDerWaalsContact O-CB 3.26Å; N101-S105 WeakPolarHBondContact O-CB 3.44Å; N101-S105 PolarHBondContact O-N 3.31Å; N101-S105 VanDerWaalsContact O-N 3.09Å; N101-S105 PolarHBondContact O-OG 2.85Å
102R64.1Low58Low135 Ų13583.4 Ų83.451%0.50946%0.455SS..Hα-helixtrans-70.1-42.8176.1-176.8-179.6169.486.70.9111.4Q98 L99 L100 S105 L106Q98-R102 VanDerWaalsContact O-CB 3.3Å; Q98-R102 WeakPolarHBondContact O-CB 3.09Å; Q98-R102 PolarHBondContact O-N 3.16Å; L99-R102 CarbonylContact O-C 3.6Å; L99-R102 WeakPolarHBondContact O-CA 3.27Å; L99-R102 WeakPolarHBondContact O-CB 3.31Å; L99-R102 PolarHBondContact O-N 3.05Å; L100-R102 VanDerWaalsContact C-N 3.34Å; R102-S105 WeakPolarHBondContact O-CB 3.24Å; R102-S105 PolarHBondContact O-N 3.41Å; R102-L106 HydrophobicContact CG-CD1 4.43Å; R102-L106 WeakPolarHBondContact O-CG 3.45Å; R102-L106 PolarHBondContact O-N 3.48Å
103E55.1Low57.6Low103 Ų10385.3 Ų85.348%0.48146%0.459SS..Hα-helixtrans-67.2-45.3178.8-73176.3174.400111.9L99 L100 S105 L106 L107L99-E103 WeakPolarHBondContact O-CB 3.41Å; L99-E103 VanDerWaalsContact O-CG 3.31Å; L99-E103 WeakPolarHBondContact O-CG 3.37Å; L99-E103 PolarHBondContact O-N 3.23Å; L100-E103 PolarHBondContact O-N 3.25Å; E103-S105 VanDerWaalsContact C-N 3.28Å; E103-S105 PolarHBondContact O-N 3.15Å; E103-L106 WeakPolarHBondContact O-CB 3.49Å; E103-L106 PolarHBondContact O-N 3.41Å; E103-L106 VanDerWaalsContact O-N 3.1Å; E103-L107 PolarHBondContact O-N 3.35Å
104S61.3Low56.1Low54 Ų5486.3 Ų86.338%0.37846%0.459SS..Hα-helixtrans-63.1-34172.854.90000112.7L100 N101 T108L100-S104 VanDerWaalsContact O-CB 3.3Å; L100-S104 WeakPolarHBondContact O-CB 3.37Å; L100-S104 PolarHBondContact O-N 3.31Å; L100-S104 PolarHBondContact O-OG 3.31Å; N101-S104 WeakPolarHBondContact CA-OG 3.44Å; N101-S104 PolarHBondContact O-OG 3.05Å; N101-S104 VanDerWaalsContact O-OG 3.08Å; S104-T108 WeakPolarHBondContact O-CG2 3.46Å; S104-T108 PolarHBondContact O-N 3.26Å; S104-T108 VanDerWaalsContact O-N 3.13Å; S104-T108 PolarHBondContact O-OG1 3.27Å
105S56.2Low55Low36 Ų3686.3 Ų86.325%0.25246%0.459SS..Hα-helixtrans-69.7-29.4172.6-61.50000113.2N101 R102 E103 T108 A109N101-S105 VanDerWaalsContact O-CB 3.26Å; N101-S105 WeakPolarHBondContact O-CB 3.44Å; N101-S105 PolarHBondContact O-N 3.31Å; N101-S105 VanDerWaalsContact O-N 3.09Å; N101-S105 PolarHBondContact O-OG 2.85Å; R102-S105 WeakPolarHBondContact O-CB 3.24Å; R102-S105 PolarHBondContact O-N 3.41Å; E103-S105 VanDerWaalsContact C-N 3.28Å; E103-S105 PolarHBondContact O-N 3.15Å; S105-T108 PolarHBondContact O-OG1 3.46Å; S105-A109 WeakPolarHBondContact O-CB 3.48Å
106L51Low54Low78 Ų7891.5 Ų91.541%0.40847%0.474SS..Hα-helixtrans-74.7-46.5174-74.5166.3000111.2R102 E103 T108 A109 I206R102-L106 HydrophobicContact CG-CD1 4.43Å; R102-L106 WeakPolarHBondContact O-CG 3.45Å; R102-L106 PolarHBondContact O-N 3.48Å; E103-L106 WeakPolarHBondContact O-CB 3.49Å; E103-L106 PolarHBondContact O-N 3.41Å; E103-L106 VanDerWaalsContact O-N 3.1Å; L106-T108 VanDerWaalsContact C-N 3.34Å; L106-T108 PolarHBondContact O-N 3.4Å; L106-A109 WeakPolarHBondContact O-CB 3.44Å; L106-A109 PolarHBondContact O-N 2.99Å; L106-A109 VanDerWaalsContact O-N 3.14Å; L106-I206 HydrophobicContact CD2-CD1 3.93Å; L106-I206 HydrophobicContact CG-CD1 4.19Å
107L46.2Very low52.7Low134 Ų13494.6 Ų94.670%0.70249%0.486SS*.Hα-helixtrans-60-38.5178.8-86.8150.2000113.3E103 A109E103-L107 PolarHBondContact O-N 3.35Å; L107-A109 PolarHBondContact O-N 2.9Å
108T51.4Low51.4Low61 Ų6193.7 Ų93.737%0.37449%0.488SS..THydrogen-bonded Turntrans-73.6-13.218045.90000113.8S104 S105 L106 T111S104-T108 WeakPolarHBondContact O-CG2 3.46Å; S104-T108 PolarHBondContact O-N 3.26Å; S104-T108 VanDerWaalsContact O-N 3.13Å; S104-T108 PolarHBondContact O-OG1 3.27Å; S105-T108 PolarHBondContact O-OG1 3.46Å; L106-T108 VanDerWaalsContact C-N 3.34Å; L106-T108 PolarHBondContact O-N 3.4Å; T108-T111 PolarHBondContact O-OG1 3.33Å
109A44.9Very low50.2Low19 Ų1990.7 Ų90.716%0.15748%0.481CS..THydrogen-bonded Turntrans-97.5-26.7-171.300000112.6S105 L106 L107 T111 K202S105-A109 WeakPolarHBondContact O-CB 3.48Å; L106-A109 WeakPolarHBondContact O-CB 3.44Å; L106-A109 PolarHBondContact O-N 2.99Å; L106-A109 VanDerWaalsContact O-N 3.14Å; L107-A109 PolarHBondContact O-N 2.9Å; A109-T111 PolarHBondContact O-N 2.62Å; A109-K202 HydrophobicContact CB-CB 3.85Å; A109-K202 HydrophobicContact CB-CD 3.3Å; A109-K202 VanDerWaalsContact CB-CE 3.45Å; A109-K202 HydrophobicContact CB-CG 3.52Å; A109-K202 WeakPolarHBondContact O-CE 3.46Å; A109-K202 PolarHBondContact O-NZ 3.19Å
110D38.8Very low48.8Very low92 Ų9292.5 Ų92.549%0.49249%0.489SS..THydrogen-bonded Turntrans-66.1-3.6-178.6-72.1-15.6000115.7K202D110-K202 VanDerWaalsContact CA-NZ 3.27Å; D110-K202 IonicContact OD1-NZ 3.37Å; D110-K202 PolarHBondContact OD1-NZ 2.87Å
111T51.3Low47.7Very low87 Ų8798.5 Ų98.553%0.53451%0.505SS..THydrogen-bonded Turntrans-85.6-12-174.947.30000115.8T108 A109T108-T111 PolarHBondContact O-OG1 3.33Å; A109-T111 PolarHBondContact O-N 2.62Å
112D45.6Very low46.6Very low110 Ų110103.8 Ų103.859%0.58853%0.525SS*.SBendtrans-120.6-9-170.6-82.4-44.1000117.5R190D112-R190 IonicContact OD2-CZ 3.93Å; D112-R190 IonicContact OD2-NH1 2.88Å; D112-R190 IonicContact OD2-NH2 3.78Å; D112-R190 PolarHBondContact OD2-NH2 3.09Å
113E46.1Very low45.7Very low108 Ų108103.6 Ų103.651%0.50553%0.528SS..SBendtrans-116.7-25.7180-69.9-102.1161.200114.2R201E113-R201 IonicContact OE1-NH1 3.07Å; E113-R201 PolarHBondContact OE1-NH1 2.97Å
114D39.7Very low45.2Very low85 Ų85109.3 Ų109.346%0.45555%0.545SS..Hα-helixtrans-92.1-14.5-175.7-79.2-56.6000115.2Q116 S118D114-Q116 VanDerWaalsContact C-N 3.29Å; D114-Q116 PolarHBondContact O-N 3.18Å; D114-S118 WeakPolarHBondContact O-CB 3.39Å; D114-S118 PolarHBondContact O-N 3.36Å; D114-S118 PolarHBondContact O-OG 3.32Å
115V43.3Very low44.2Very low103 Ų103116.1 Ų116.162%0.62457%0.568SS**Hα-helixtrans-67.2-30.5-178-177.10000111.8S119V115-S119 WeakPolarHBondContact O-CB 3.43Å; V115-S119 PolarHBondContact O-OG 3.5Å
116Q41.1Very low43.4Very low166 Ų166118.3 Ų118.378%0.77659%0.588SS**Hα-helixtrans-90.3-35.2179-71.8-150.2-17.900114.6D114 S119D114-Q116 VanDerWaalsContact C-N 3.29Å; D114-Q116 PolarHBondContact O-N 3.18Å; Q116-S119 PolarHBondContact O-OG 3.29Å
117K39.5Very low43Very low162 Ų162119.3 Ų119.370%0.70460%0.602SS**Hα-helixtrans-86.2-39-179.2-90.1177.8177.2173.90113.5M120 R121K117-M120 PolarHBondContact O-N 3.44Å; K117-R121 PolarHBondContact O-N 3.34Å
118S39.4Very low42.9Very low58 Ų58121.4 Ų121.441%0.40661%0.608SS.*Hα-helixtrans-71.7-32.2179.175.80000112.2D114 R121 K122D114-S118 WeakPolarHBondContact O-CB 3.39Å; D114-S118 PolarHBondContact O-N 3.36Å; D114-S118 PolarHBondContact O-OG 3.32Å; S118-R121 PolarHBondContact O-N 3.35Å; S118-K122 PolarHBondContact O-N 2.78Å
119S41.4Very low42.7Very low64 Ų64125.5 Ų125.545%0.44863%0.626SS.*Hα-helixtrans-67.5-34.9176.463.10000112.5V115 Q116 K123V115-S119 WeakPolarHBondContact O-CB 3.43Å; V115-S119 PolarHBondContact O-OG 3.5Å; Q116-S119 PolarHBondContact O-OG 3.29Å; S119-K123 WeakPolarHBondContact O-CB 3.43Å; S119-K123 PolarHBondContact O-N 2.88Å
120M37.8Very low42.4Very low136 Ų136130.9 Ų130.967%0.6766%0.657SS**Hα-helixtrans-69.8-38.3172.1-81.2-143.3-74.900112.6K117 K123K117-M120 PolarHBondContact O-N 3.44Å; M120-K123 PolarHBondContact O-N 3.49Å
121R41.3Very low43Very low215 Ų215130 Ų13081%0.81167%0.67SS**Hα-helixtrans-78.8-34.3-174.2-161.7169.1157-173.5-6.6113.1K117 S118K117-R121 PolarHBondContact O-N 3.34Å; S118-R121 PolarHBondContact O-N 3.35Å
122K42.9Very low42.8Very low174 Ų174135 Ų13576%0.75769%0.687SS**Hα-helixtrans-71.4-28.2169.7-101.4176175.1173.20113S118 R124 K125S118-K122 PolarHBondContact O-N 2.78Å; K122-R124 PolarHBondContact O-N 3.2Å; K122-K125 PolarHBondContact O-N 2.97Å
123K45.3Very low43.3Very low130 Ų130134.4 Ų134.457%0.56568%0.684SS**Hα-helixtrans-72.6-23.8-177-171.9176.2-176.9-171.60114.1S119 M120 K125S119-K123 WeakPolarHBondContact O-CB 3.43Å; S119-K123 PolarHBondContact O-N 2.88Å; M120-K123 PolarHBondContact O-N 3.49Å; K123-K125 VanDerWaalsContact C-N 3.31Å
124R44.5Very low44.2Very low224 Ų224133.3 Ų133.385%0.84569%0.689SS**THydrogen-bonded Turntrans-76.7-15.5176-65.4-17778.3153.92.1113.8K122K122-R124 PolarHBondContact O-N 3.2Å
125K40.6Very low45.7Very low196 Ų196132.5 Ų132.585%0.85269%0.693SS**SBendtrans-106.7-4-174.5-151.1165.5-177.4175.70114.1K122 K123K122-K125 PolarHBondContact O-N 2.97Å; K123-K125 VanDerWaalsContact C-N 3.31Å
126A40Very low47.2Very low82 Ų82133.6 Ų133.668%0.67869%0.692SS**SBendtrans-111.93.1-177.400000113.7
127S41.9Very low48.8Very low100 Ų100131.8 Ų131.870%0.69968%0.679SS**SBendtrans-96.69.9-176.857.60000114.3
128E43.9Very low50.7Low178 Ų178130.3 Ų130.383%0.83267%0.669SS**SBendtrans-110.5-0.5-172.6-146.3162.6-148.800113.9
129I47.6Very low52.8Low146 Ų146131.3 Ų131.375%0.74967%0.672SS**SBendtrans-138.1124.7-179.1-54175.9000109
130T39.1Very low54.5Low132 Ų132134.5 Ų134.581%0.8168%0.682SS**  trans75.994.9179.269.60000117.9
131G51.4Low56.6Low74 Ų74131.7 Ų131.776%0.76367%0.666SS**  trans-75116.515200000109.3
132E46.5Very low58.5Low191 Ų191129.9 Ų129.989%0.89366%0.659SS**SBendtrans-171127.1147.9-101.2162.3-155.400107.9
133N55.4Low60.3Low99 Ų99127.5 Ų127.553%0.52965%0.65SS.*  trans51.869.1178.1-72.6-7.2000119.8A135 E136 Y137N133-A135 PolarHBondContact O-N 3.21Å; N133-A135 VanDerWaalsContact O-N 3.14Å; N133-E136 HydrophobicContact CB-CB 4.34Å; N133-E136 HydrophobicContact CB-CG 4.32Å; N133-E136 WeakPolarHBondContact CB-OE2 3.16Å; N133-E136 PolarHBondContact ND2-OE2 3.4Å; N133-E136 PolarHBondContact O-N 3.42Å; N133-Y137 PolarHBondContact O-N 3.23Å
134S66.1Low62.1Low85 Ų85129.1 Ų129.159%0.59466%0.658SS**Hα-helixtrans-45.5-40.7162.4177.50000113.2W138S134-W138 PolarHBondContact O-N 2.7Å; S134-W138 VanDerWaalsContact O-N 3.11Å; S134-W138 PolarHBondContact OG-NE1 2.83Å
135A71.3Confident63.6Low67 Ų67124.2 Ų124.255%0.55465%0.648SS**Hα-helixtrans-65.1-44.7-175.800000113.6N133 W138 V139N133-A135 PolarHBondContact O-N 3.21Å; N133-A135 VanDerWaalsContact O-N 3.14Å; A135-W138 PolarHBondContact O-N 3.18Å; A135-V139 VanDerWaalsContact O-CG2 3.25Å; A135-V139 WeakPolarHBondContact O-CG2 3.27Å; A135-V139 PolarHBondContact O-N 3.06Å
136E73.9Confident65.5Low126 Ų126121 Ų12159%0.58963%0.634SS**Hα-helixtrans-68.1-40.3-178.2-70.3174.7155.700111.5N133 W138 V139 M140N133-E136 HydrophobicContact CB-CB 4.34Å; N133-E136 HydrophobicContact CB-CG 4.32Å; N133-E136 WeakPolarHBondContact CB-OE2 3.16Å; N133-E136 PolarHBondContact ND2-OE2 3.4Å; N133-E136 PolarHBondContact O-N 3.42Å; E136-W138 PolarHBondContact O-N 3.17Å; E136-V139 PolarHBondContact O-N 3Å; E136-M140 WeakPolarHBondContact O-CB 3.41Å; E136-M140 PolarHBondContact O-N 2.92Å
137Y74.9Confident67.4Low128 Ų128119.6 Ų119.650%0.50262%0.622SS.*Hα-helixtrans-58.6-45.4171.5174.1-95.1000112N133 V139 K141N133-Y137 PolarHBondContact O-N 3.23Å; Y137-V139 VanDerWaalsContact C-N 3.34Å; Y137-V139 PolarHBondContact O-N 3.04Å; Y137-K141 HydrophobicContact CE1-CD 3.8Å; Y137-K141 WeakPolarHBondContact O-CB 3.2Å; Y137-K141 PolarHBondContact O-N 3.27Å; Y137-K141 PolarHBondContact OH-NZ 2.97Å; Y137-K141 VanDerWaalsContact OH-NZ 3.07Å
138W79.1Confident69.4Low131 Ų131118.4 Ų118.450%0.49661%0.608SS.*Hα-helixtrans-67.5-33.5177.7-73.3118000112.8S134 A135 E136 K141 R142S134-W138 PolarHBondContact O-N 2.7Å; S134-W138 VanDerWaalsContact O-N 3.11Å; S134-W138 PolarHBondContact OG-NE1 2.83Å; A135-W138 PolarHBondContact O-N 3.18Å; E136-W138 PolarHBondContact O-N 3.17Å; W138-K141 HydrophobicContact CE3-CD 4.13Å; W138-K141 HydrophobicContact CZ3-CD 4.11Å; W138-R142 VanDerWaalsContact O-CB 3.23Å; W138-R142 WeakPolarHBondContact O-CB 3.23Å; W138-R142 PolarHBondContact O-N 3.12Å
139V83.1Confident71.4Confident80 Ų80117.2 Ų117.249%0.48560%0.6SS.*Hα-helixtrans-67.2-51.4174.3170.20000110.6A135 E136 Y137 K141 R142 Q143A135-V139 VanDerWaalsContact O-CG2 3.25Å; A135-V139 WeakPolarHBondContact O-CG2 3.27Å; A135-V139 PolarHBondContact O-N 3.06Å; E136-V139 PolarHBondContact O-N 3Å; Y137-V139 VanDerWaalsContact C-N 3.34Å; Y137-V139 PolarHBondContact O-N 3.04Å; V139-K141 VanDerWaalsContact C-N 3.33Å; V139-K141 PolarHBondContact O-N 3.14Å; V139-R142 PolarHBondContact O-N 3.44Å; V139-Q143 WeakPolarHBondContact O-CG 2.98Å; V139-Q143 PolarHBondContact O-N 3.35Å
140M77.8Confident73.1Confident131 Ų131116.6 Ų116.665%0.64559%0.594SS**Hα-helixtrans-62.5-40.1178.7-170.8162.369.200111.6E136 Q143 K144E136-M140 WeakPolarHBondContact O-CB 3.41Å; E136-M140 PolarHBondContact O-N 2.92Å; M140-Q143 PolarHBondContact O-N 3.17Å; M140-K144 WeakPolarHBondContact O-CB 3.45Å; M140-K144 PolarHBondContact O-N 2.95Å
141K82.4Confident75.4Confident76 Ų76114.7 Ų114.733%0.3358%0.575SS.*Hα-helixtrans-63.6-41174.2-171.9172.6-166.5161.40112.6Y137 W138 V139 L145Y137-K141 HydrophobicContact CE1-CD 3.8Å; Y137-K141 WeakPolarHBondContact O-CB 3.2Å; Y137-K141 PolarHBondContact O-N 3.27Å; Y137-K141 PolarHBondContact OH-NZ 2.97Å; Y137-K141 VanDerWaalsContact OH-NZ 3.07Å; W138-K141 HydrophobicContact CE3-CD 4.13Å; W138-K141 HydrophobicContact CZ3-CD 4.11Å; V139-K141 VanDerWaalsContact C-N 3.33Å; V139-K141 PolarHBondContact O-N 3.14Å; K141-L145 WeakPolarHBondContact O-CB 3.43Å; K141-L145 PolarHBondContact O-N 3.29Å
142R80.8Confident77Confident177 Ų177116 Ų11667%0.66856%0.562SS**Hα-helixtrans-66.2-41.1175.9-177-176-67.6-154.4-1.3111.2W138 V139 L145 K146W138-R142 VanDerWaalsContact O-CB 3.23Å; W138-R142 WeakPolarHBondContact O-CB 3.23Å; W138-R142 PolarHBondContact O-N 3.12Å; V139-R142 PolarHBondContact O-N 3.44Å; R142-L145 PolarHBondContact O-N 2.89Å; R142-K146 WeakPolarHBondContact O-CG 3.37Å; R142-K146 PolarHBondContact O-N 3.41Å
143Q80.9Confident78.9Confident124 Ų124109 Ų10958%0.57954%0.537SS*.Hα-helixtrans-63.4-47.6175-73.7177.70.900111.2V139 M140 L145 K146 A147V139-Q143 WeakPolarHBondContact O-CG 2.98Å; V139-Q143 PolarHBondContact O-N 3.35Å; M140-Q143 PolarHBondContact O-N 3.17Å; Q143-L145 VanDerWaalsContact C-N 3.3Å; Q143-L145 PolarHBondContact O-N 2.96Å; Q143-K146 WeakPolarHBondContact O-CB 3.47Å; Q143-K146 PolarHBondContact O-N 2.87Å; Q143-K146 VanDerWaalsContact O-N 3.12Å; Q143-A147 PolarHBondContact O-N 3.49Å
144K82.2Confident80.5Confident165 Ų165108.3 Ų108.372%0.71753%0.533SS*.Hα-helixtrans-58.8-40.1175.6-171.4170.8-175.7170.20112.5M140 A147 N148M140-K144 WeakPolarHBondContact O-CB 3.45Å; M140-K144 PolarHBondContact O-N 2.95Å; K144-A147 PolarHBondContact O-N 3.24Å; K144-N148 WeakPolarHBondContact O-CB 3.33Å; K144-N148 PolarHBondContact O-N 3.11Å
145L76.2Confident81.6Confident121 Ų121107.4 Ų107.463%0.63452%0.518SS*.Hα-helixtrans-68.4-36.8176.9-163.4124.7000112.3K141 R142 Q143 K149K141-L145 WeakPolarHBondContact O-CB 3.43Å; K141-L145 PolarHBondContact O-N 3.29Å; R142-L145 PolarHBondContact O-N 2.89Å; Q143-L145 VanDerWaalsContact C-N 3.3Å; Q143-L145 PolarHBondContact O-N 2.96Å; L145-K149 WeakPolarHBondContact O-CB 3.12Å; L145-K149 PolarHBondContact O-N 3.07Å
146K80.5Confident82.4Confident129 Ų129108.3 Ų108.356%0.56151%0.512SS*.Hα-helixtrans-66.4-44.1173.2-76179176.2-171.70111.8R142 Q143 K149 Q150R142-K146 WeakPolarHBondContact O-CG 3.37Å; R142-K146 PolarHBondContact O-N 3.41Å; Q143-K146 WeakPolarHBondContact O-CB 3.47Å; Q143-K146 PolarHBondContact O-N 2.87Å; Q143-K146 VanDerWaalsContact O-N 3.12Å; K146-K149 PolarHBondContact O-N 2.86Å; K146-Q150 WeakPolarHBondContact O-CG 3.3Å; K146-Q150 PolarHBondContact O-N 3.37Å
147A79.7Confident83.2Confident52 Ų52108.6 Ų108.643%0.4351%0.511SS..Hα-helixtrans-61.1-46.9175.900000111.1Q143 K144 K149 Q150 E151Q143-A147 PolarHBondContact O-N 3.49Å; K144-A147 PolarHBondContact O-N 3.24Å; A147-K149 VanDerWaalsContact C-N 3.3Å; A147-K149 PolarHBondContact O-N 3.45Å; A147-Q150 PolarHBondContact O-N 2.92Å; A147-Q150 VanDerWaalsContact O-N 3.14Å; A147-E151 PolarHBondContact O-N 2.95Å
148N84.9Confident84.1Confident75 Ų75104.9 Ų104.940%0.40150%0.496SS..Hα-helixtrans-60.6-39.1175.7-168.355.7000112K144 E151 E152K144-N148 WeakPolarHBondContact O-CB 3.33Å; K144-N148 PolarHBondContact O-N 3.11Å; N148-E151 PolarHBondContact O-N 3.47Å; N148-E152 PolarHBondContact ND2-OE1 3.31Å; N148-E152 VanDerWaalsContact ND2-OE1 3.13Å; N148-E152 WeakPolarHBondContact O-CB 3.45Å; N148-E152 WeakPolarHBondContact O-CG 3.23Å; N148-E152 PolarHBondContact O-N 3.47Å
149K86.3Confident84.8Confident153 Ų15398.9 Ų98.967%0.66547%0.474SS*.Hα-helixtrans-65-39175.7-174.1177.2-178.4-179.50112.5L145 K146 A147 A153L145-K149 WeakPolarHBondContact O-CB 3.12Å; L145-K149 PolarHBondContact O-N 3.07Å; K146-K149 PolarHBondContact O-N 2.86Å; A147-K149 VanDerWaalsContact C-N 3.3Å; A147-K149 PolarHBondContact O-N 3.45Å; K149-A153 WeakPolarHBondContact O-CB 3.39Å; K149-A153 PolarHBondContact O-N 2.84Å
150Q83.3Confident85.3Confident133 Ų13395.1 Ų95.162%0.62145%0.451SS*.Hα-helixtrans-67.4-42.6175.4-73.8175.1-30.800111.1K146 A147 A153 L154K146-Q150 WeakPolarHBondContact O-CG 3.3Å; K146-Q150 PolarHBondContact O-N 3.37Å; A147-Q150 PolarHBondContact O-N 2.92Å; A147-Q150 VanDerWaalsContact O-N 3.14Å; Q150-A153 WeakPolarHBondContact O-CB 3.36Å; Q150-A153 PolarHBondContact O-N 3.45Å; Q150-L154 WeakPolarHBondContact O-CG 3.44Å; Q150-L154 PolarHBondContact O-N 2.95Å
151E86.4Confident86Confident91 Ų9190.6 Ų90.643%0.42543%0.428SS..Hα-helixtrans-62.1-44.4175.4-167.4-169.8148.900111.6A147 N148 A153 L154 K155A147-E151 PolarHBondContact O-N 2.95Å; N148-E151 PolarHBondContact O-N 3.47Å; E151-A153 VanDerWaalsContact C-N 3.33Å; E151-A153 PolarHBondContact O-N 2.92Å; E151-L154 PolarHBondContact O-N 2.79Å; E151-K155 WeakPolarHBondContact O-CG 3.36Å; E151-K155 PolarHBondContact O-N 2.69Å; E151-K155 WeakPolarHBondContact OE1-CE 3.25Å; E151-K155 IonicContact OE1-NZ 2.69Å; E151-K155 PolarHBondContact OE1-NZ 3.26Å
152E85.4Confident86.5Confident102 Ų10287 Ų8748%0.47741%0.412SS..Hα-helixtrans-62.3-39.3173.7-78177.3-175.400111.9N148 L154 K155 M156N148-E152 PolarHBondContact ND2-OE1 3.31Å; N148-E152 VanDerWaalsContact ND2-OE1 3.13Å; N148-E152 WeakPolarHBondContact O-CB 3.45Å; N148-E152 WeakPolarHBondContact O-CG 3.23Å; N148-E152 PolarHBondContact O-N 3.47Å; E152-L154 PolarHBondContact O-N 2.94Å; E152-K155 WeakPolarHBondContact O-CB 3.49Å; E152-K155 PolarHBondContact O-N 2.79Å; E152-M156 WeakPolarHBondContact O-CB 3.41Å; E152-M156 VanDerWaalsContact O-CG 3.25Å; E152-M156 WeakPolarHBondContact O-CG 3.39Å; E152-M156 PolarHBondContact O-N 3Å
153A86.1Confident87Confident45 Ų4578.6 Ų78.637%0.37238%0.381SS..Hα-helixtrans-64.1-39.8175.100000111.9K149 Q150 E151 M156 K157K149-A153 WeakPolarHBondContact O-CB 3.39Å; K149-A153 PolarHBondContact O-N 2.84Å; Q150-A153 WeakPolarHBondContact O-CB 3.36Å; Q150-A153 PolarHBondContact O-N 3.45Å; E151-A153 VanDerWaalsContact C-N 3.33Å; E151-A153 PolarHBondContact O-N 2.92Å; A153-M156 PolarHBondContact O-N 2.86Å; A153-K157 WeakPolarHBondContact O-CG 3.38Å; A153-K157 PolarHBondContact O-N 3.49Å
154L88.9Confident87.5Confident84 Ų8473.2 Ų73.244%0.4436%0.356SS..Hα-helixtrans-66.3-38.2173.7-70.8164.4000111.8Q150 E151 E152 R158Q150-L154 WeakPolarHBondContact O-CG 3.44Å; Q150-L154 PolarHBondContact O-N 2.95Å; E151-L154 PolarHBondContact O-N 2.79Å; E152-L154 PolarHBondContact O-N 2.94Å; L154-R158 WeakPolarHBondContact O-CG 3.24Å; L154-R158 PolarHBondContact O-N 3.01Å; L154-R158 PolarHBondContact O-NE 2.81Å; L154-R158 VanDerWaalsContact O-NE 3.15Å
155K89.2Confident88Confident66 Ų6665.4 Ų65.429%0.28732%0.322SS..Hα-helixtrans-62.4-45.1171.3-73.2173.9-177.1168.70110.2E151 E152 K157 R158 T159E151-K155 WeakPolarHBondContact O-CG 3.36Å; E151-K155 PolarHBondContact O-N 2.69Å; E151-K155 WeakPolarHBondContact OE1-CE 3.25Å; E151-K155 IonicContact OE1-NZ 2.69Å; E151-K155 PolarHBondContact OE1-NZ 3.26Å; E152-K155 WeakPolarHBondContact O-CB 3.49Å; E152-K155 PolarHBondContact O-N 2.79Å; K155-K157 PolarHBondContact O-N 2.99Å; K155-R158 CarbonylContact O-C 3.46Å; K155-R158 WeakPolarHBondContact O-CA 3.46Å; K155-R158 PolarHBondContact O-N 2.68Å; K155-T159 WeakPolarHBondContact O-CG2 3.34Å; K155-T159 PolarHBondContact O-N 3.05Å
156M89Confident88.6Confident85 Ų8559.8 Ų59.842%0.41929%0.293SS..Hα-helixtrans-59.9-42.4179.1-74.717974.400112.4E152 A153 R158 T159 V251E152-M156 WeakPolarHBondContact O-CB 3.41Å; E152-M156 VanDerWaalsContact O-CG 3.25Å; E152-M156 WeakPolarHBondContact O-CG 3.39Å; E152-M156 PolarHBondContact O-N 3Å; A153-M156 PolarHBondContact O-N 2.86Å; M156-R158 PolarHBondContact O-N 3.18Å; M156-T159 WeakPolarHBondContact CA-OG1 3.3Å; M156-T159 PolarHBondContact O-N 2.78Å; M156-T159 PolarHBondContact O-OG1 2.64Å; M156-V251 HydrophobicContact CE-CG1 3.99Å
157K90.3Very high88.9Confident132 Ų13255.6 Ų55.657%0.57428%0.278SS*.Hα-helixtrans-58.8-35.3174-71.1178-179.4-171.80113A153 K155 T159A153-K157 WeakPolarHBondContact O-CG 3.38Å; A153-K157 PolarHBondContact O-N 3.49Å; K155-K157 PolarHBondContact O-N 2.99Å; K157-T159 VanDerWaalsContact C-N 3.32Å
158R93.3Very high89.2Confident50 Ų5056.3 Ų56.319%0.18928%0.28CS..THydrogen-bonded Turntrans-86.93.1176.3-66.4-179.3-74.4142.1-1.7113.9L154 K155 M156 E185 F223 K224 E226 V229L154-R158 WeakPolarHBondContact O-CG 3.24Å; L154-R158 PolarHBondContact O-N 3.01Å; L154-R158 PolarHBondContact O-NE 2.81Å; L154-R158 VanDerWaalsContact O-NE 3.15Å; K155-R158 CarbonylContact O-C 3.46Å; K155-R158 WeakPolarHBondContact O-CA 3.46Å; K155-R158 PolarHBondContact O-N 2.68Å; M156-R158 PolarHBondContact O-N 3.18Å; R158-E185 IonicContact NH1-OE2 2.68Å; R158-E185 PolarHBondContact NH1-OE2 3.38Å; R158-F223 WeakPolarHBondContact CB-O 3.4Å; R158-F223 PolarHBondContact O-N 3.36Å; R158-K224 WeakPolarHBondContact CD-O 3.47Å; R158-K224 PolarHBondContact NH1-O 3.47Å; R158-E226 HydrophobicContact CG-CG 3.51Å; R158-V229 WeakPolarHBondContact O-CG2 3.27Å
159T93.3Very high89.2Confident6 Ų653.4 Ų53.44%0.03727%0.265CS..EExtended strand (participates in β ladder)trans-99.8136.5178.662.60000112K155 M156 K157 V221 V222 V251K155-T159 WeakPolarHBondContact O-CG2 3.34Å; K155-T159 PolarHBondContact O-N 3.05Å; M156-T159 WeakPolarHBondContact CA-OG1 3.3Å; M156-T159 PolarHBondContact O-N 2.78Å; M156-T159 PolarHBondContact O-OG1 2.64Å; K157-T159 VanDerWaalsContact C-N 3.32Å; T159-V221 CarbonylContact C-O 3.56Å; T159-V221 VanDerWaalsContact CA-O 3.3Å; T159-V221 WeakPolarHBondContact CA-O 3.47Å; T159-V222 HydrophobicContact CG2-CB 3.99Å; T159-V222 HydrophobicContact CG2-CG1 4Å; T159-V222 HydrophobicContact CG2-CG2 3.38Å; T159-V251 WeakPolarHBondContact O-CG2 3.45Å; T159-V251 PolarHBondContact O-N 2.9Å; T159-V251 WeakPolarHBondContact OG1-CB 3.37Å; T159-V251 VanDerWaalsContact OG1-CG2 3.24Å; T159-V251 WeakPolarHBondContact OG1-CG2 3.41Å
160V94.4Very high89.4Confident0 Ų048.4 Ų48.40%025%0.248CC..EExtended strand (participates in β ladder)trans-106.4135.9172.3-178.50000108.9V162 Y220 V221 F223 V229 A232 V248V160-V162 HydrophobicContact CG1-CG2 4.19Å; V160-Y220 VanDerWaalsContact O-CA 3.31Å; V160-Y220 WeakPolarHBondContact O-CA 3.48Å; V160-V221 PolarHBondContact N-O 3.07Å; V160-V221 PolarHBondContact O-N 3Å; V160-F223 HydrophobicContact CB-CE2 4.19Å; V160-F223 HydrophobicContact CG2-CD2 3.86Å; V160-F223 HydrophobicContact CG2-CE2 3.54Å; V160-V229 HydrophobicContact CG2-CB 3.95Å; V160-V229 HydrophobicContact CG2-CG1 3.81Å; V160-V229 HydrophobicContact CG2-CG2 3.77Å; V160-A232 HydrophobicContact CG1-CB 4.35Å; V160-A232 HydrophobicContact CG2-CB 4.03Å; V160-V248 HydrophobicContact CG1-CG1 3.28Å
161F93.3Very high89.6Confident37 Ų3744.1 Ų44.116%0.16223%0.228CC..EExtended strand (participates in β ladder)trans-86.9129166.8173.8-100.2000109.3N218 Y220 V248 D249 V251F161-N218 HydrophobicContact CE2-CB 3.8Å; F161-N218 HydrophobicContact CZ-CB 4.08Å; F161-Y220 HydrophobicContact CB-CD1 4.29Å; F161-Y220 HydrophobicContact CB-CE1 4.06Å; F161-Y220 HydrophobicContact CD2-CD1 4.26Å; F161-Y220 AromaticContact CD2-CE1 3.66Å; F161-Y220 HydrophobicContact CD2-CE1 3.66Å; F161-Y220 AromaticContact CD2-CZ 3.97Å; F161-Y220 HydrophobicContact CG-CE1 4.35Å; F161-V248 WeakPolarHBondContact O-CA 3.42Å; F161-D249 HydrophobicContact CB-CB 4.4Å; F161-D249 HydrophobicContact CD1-CB 4.28Å; F161-D249 PolarHBondContact N-O 3.33Å; F161-D249 PolarHBondContact O-N 3.09Å; F161-V251 HydrophobicContact CB-CG2 4.07Å
162V92.9Very high89.7Confident0 Ų044.2 Ų44.20%023%0.227CC..EExtended strand (participates in β ladder)trans-120.5111.1174.5-171.40000108.1V160 L165 L174 F178 N218 A219 V221 I246 R247V160-V162 HydrophobicContact CG1-CG2 4.19Å; V162-L165 HydrophobicContact CB-CD1 4.24Å; V162-L165 HydrophobicContact CG1-CD1 3.84Å; V162-L165 HydrophobicContact CG1-CD2 3.8Å; V162-L165 HydrophobicContact CG1-CG 3.89Å; V162-L174 HydrophobicContact CG1-CD1 4.33Å; V162-F178 HydrophobicContact CG1-CE2 4.19Å; V162-F178 HydrophobicContact CG1-CZ 4.25Å; V162-F178 HydrophobicContact CG2-CE2 3.7Å; V162-F178 HydrophobicContact CG2-CZ 3.7Å; V162-N218 CarbonylContact O-C 3.38Å; V162-N218 WeakPolarHBondContact O-CA 3.46Å; V162-A219 HydrophobicContact CB-CB 4.4Å; V162-A219 PolarHBondContact N-O 2.68Å; V162-A219 PolarHBondContact O-N 3.11Å; V162-V221 HydrophobicContact CG2-CG2 4.13Å; V162-I246 HydrophobicContact CG1-CB 4.43Å; V162-I246 HydrophobicContact CG1-CG2 4.5Å; V162-R247 CarbonylContact C-O 3.36Å; V162-R247 VanDerWaalsContact CA-O 3.32Å; V162-R247 WeakPolarHBondContact CA-O 3.39Å
163G91.6Very high90Very high1 Ų142.4 Ų42.41%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-103.3165.8179.900000112.9L165 R247G163-L165 VanDerWaalsContact C-N 3.31Å; G163-L165 PolarHBondContact O-N 3.32Å; G163-R247 PolarHBondContact N-O 3.32Å; G163-R247 PolarHBondContact O-N 3.31Å; G163-R247 VanDerWaalsContact O-N 3.1Å
164N91.4Very high90.3Very high11 Ų1140.3 Ų40.36%0.05921%0.206CC..EExtended strand (participates in β ladder)trans58.135.5175.1-163.839.5000114.9S216 H245 E274N164-S216 WeakPolarHBondContact OD1-CB 3.24Å; N164-H245 WeakPolarHBondContact CB-O 3.02Å; N164-H245 PolarHBondContact ND2-O 3.45Å; N164-E274 PolarHBondContact OD1-OE2 2.99Å
165L91.3Very high90.4Very high0 Ų038.9 Ų38.90%020%0.198CC..EExtended strand (participates in β ladder)trans-77.1140.6172.8-64.8167.1000110V162 G163 L174 F189 S216 I217 A219 I240 I246V162-L165 HydrophobicContact CB-CD1 4.24Å; V162-L165 HydrophobicContact CG1-CD1 3.84Å; V162-L165 HydrophobicContact CG1-CD2 3.8Å; V162-L165 HydrophobicContact CG1-CG 3.89Å; G163-L165 VanDerWaalsContact C-N 3.31Å; G163-L165 PolarHBondContact O-N 3.32Å; L165-L174 HydrophobicContact CD1-CD1 3.85Å; L165-L174 HydrophobicContact CD2-CD1 4.26Å; L165-F189 HydrophobicContact CD1-CE1 4.08Å; L165-S216 CarbonylContact O-C 3.54Å; L165-S216 WeakPolarHBondContact O-CA 3.29Å; L165-I217 WeakPolarHBondContact CB-O 3.22Å; L165-I217 PolarHBondContact N-O 3.32Å; L165-I217 PolarHBondContact O-N 3.25Å; L165-A219 HydrophobicContact CD1-CB 3.62Å; L165-I240 HydrophobicContact CD2-CD1 3.51Å; L165-I246 HydrophobicContact CD2-CG2 3.65Å
166P89.7Confident90.5Very high3 Ų337.9 Ų37.92%0.01921%0.207CC..EExtended strand (participates in β ladder)trans-67.3153.217630.2-36.1000111.1S168 C169 E241 F244P166-S168 WeakPolarHBondContact CB-OG 3.3Å; P166-S168 WeakPolarHBondContact CG-OG 3.35Å; P166-S168 PolarHBondContact O-N 2.98Å; P166-C169 VanDerWaalsContact CD-SG 3.59Å; P166-C169 HydrophobicContact CG-CB 4.13Å; P166-C169 WeakPolarHBondContact CG-SG 3.42Å; P166-C169 WeakPolarHBondContact O-CB 3.49Å; P166-C169 PolarHBondContact O-N 3.24Å; P166-E241 WeakPolarHBondContact CB-OE2 3.47Å; P166-E241 HydrophobicContact CG-CB 4.28Å; P166-E241 WeakPolarHBondContact CG-OE2 3.43Å; P166-F244 HydrophobicContact CB-CD1 3.9Å; P166-F244 HydrophobicContact CB-CD2 3.97Å; P166-F244 HydrophobicContact CB-CE1 3.95Å; P166-F244 HydrophobicContact CB-CE2 4.01Å; P166-F244 HydrophobicContact CB-CG 3.9Å; P166-F244 HydrophobicContact CB-CZ 4Å; P166-F244 HydrophobicContact CG-CG 4.35Å
167V85.8Confident90.6Very high41 Ų4135.8 Ų35.825%0.24820%0.197CC..THydrogen-bonded Turntrans-62.5-24.7177.3176.90000112.3C169 V210 K214 Q215 I217V167-C169 VanDerWaalsContact C-N 3.25Å; V167-C169 PolarHBondContact O-N 2.77Å; V167-V210 HydrophobicContact CG1-CB 4.11Å; V167-V210 HydrophobicContact CG1-CG2 3.84Å; V167-V210 HydrophobicContact CG2-CG1 4.3Å; V167-K214 VanDerWaalsContact CG2-O 3.26Å; V167-K214 WeakPolarHBondContact CG2-O 3.31Å; V167-Q215 PolarHBondContact N-O 2.99Å; V167-I217 HydrophobicContact CB-CD1 4.12Å; V167-I217 HydrophobicContact CG1-CD1 4.13Å; V167-I217 HydrophobicContact CG2-CD1 3.93Å; V167-I217 HydrophobicContact CG2-CG1 3.88Å
168S86.1Confident90.8Very high68 Ų6829.5 Ų29.548%0.47617%0.17SC..THydrogen-bonded Turntrans-65.8-24.2174.158.60000113.1P166 T170 E241P166-S168 WeakPolarHBondContact CB-OG 3.3Å; P166-S168 WeakPolarHBondContact CG-OG 3.35Å; P166-S168 PolarHBondContact O-N 2.98Å; S168-T170 PolarHBondContact O-N 3.41Å; S168-E241 PolarHBondContact OG-OE2 3.14Å
169C86.4Confident90.8Very high14 Ų1436 Ų3610%0.09519%0.194CC..  trans-63.4127.9-174.7-96.80000111.8P166 V167 F189P166-C169 VanDerWaalsContact CD-SG 3.59Å; P166-C169 HydrophobicContact CG-CB 4.13Å; P166-C169 WeakPolarHBondContact CG-SG 3.42Å; P166-C169 WeakPolarHBondContact O-CB 3.49Å; P166-C169 PolarHBondContact O-N 3.24Å; V167-C169 VanDerWaalsContact C-N 3.25Å; V167-C169 PolarHBondContact O-N 2.77Å; C169-F189 VanDerWaalsContact O-CZ 3.27Å; C169-F189 WeakPolarHBondContact O-CZ 3.3Å
170T88.9Confident90.8Very high47 Ų4740.4 Ų40.429%0.28822%0.218SC..  trans-94.5164.1176.166.10000110.8S168 K172 T173 L174S168-T170 PolarHBondContact O-N 3.41Å; T170-K172 PolarHBondContact O-N 3.03Å; T170-T173 PolarHBondContact N-OG1 3.47Å; T170-T173 PolarHBondContact O-N 3.03Å; T170-T173 PolarHBondContact O-OG1 3.09Å; T170-T173 PolarHBondContact OG1-N 3.08Å; T170-T173 PolarHBondContact OG1-OG1 3.31Å; T170-L174 PolarHBondContact O-N 3.17Å
171M87.2Confident90.7Very high44 Ų4442.4 Ų42.422%0.21723%0.226CC..Hα-helixtrans-59.3-34.7172.4-81.5-74.512800112L174 L175 A187 F189M171-L174 HydrophobicContact CE-CD2 3.84Å; M171-L174 PolarHBondContact O-N 3.44Å; M171-L174 HydrophobicContact SD-CD2 4.49Å; M171-L175 WeakPolarHBondContact O-CB 3.38Å; M171-L175 VanDerWaalsContact O-CG 3.24Å; M171-L175 WeakPolarHBondContact O-CG 3.45Å; M171-L175 PolarHBondContact O-N 3.11Å; M171-A187 HydrophobicContact SD-CB 3.97Å; M171-F189 HydrophobicContact CE-CB 4.15Å; M171-F189 HydrophobicContact CE-CD1 3.55Å; M171-F189 HydrophobicContact CE-CD2 3.09Å; M171-F189 HydrophobicContact CE-CE1 3.58Å; M171-F189 HydrophobicContact CE-CE2 3.13Å; M171-F189 HydrophobicContact CE-CG 3.29Å; M171-F189 HydrophobicContact CE-CZ 3.37Å; M171-F189 HydrophobicContact CG-CD2 4.35Å; M171-F189 HydrophobicContact CG-CE2 3.92Å; M171-F189 HydrophobicContact SD-CE2 4.33Å
172K90Very high90.7Very high92 Ų9241.3 Ų41.340%0.423%0.226SC..Hα-helixtrans-63.1-45177.3-66.6-173.2175.9-172.90111.8E97 T170 L175 G176E97-K172 IonicContact OE1-NZ 3.26Å; E97-K172 PolarHBondContact OE1-NZ 3.17Å; E97-K172 IonicContact OE2-NZ 2.68Å; E97-K172 PolarHBondContact OE2-NZ 3.38Å; T170-K172 PolarHBondContact O-N 3.03Å; K172-L175 PolarHBondContact O-N 3.41Å; K172-G176 PolarHBondContact O-N 3.16Å
173T91Very high90.8Very high65 Ų6544.4 Ų44.440%0.39925%0.246SC..Hα-helixtrans-66.1-43.917854.90000110.9T170 L175 G176 L177T170-T173 PolarHBondContact N-OG1 3.47Å; T170-T173 PolarHBondContact O-N 3.03Å; T170-T173 PolarHBondContact O-OG1 3.09Å; T170-T173 PolarHBondContact OG1-N 3.08Å; T170-T173 PolarHBondContact OG1-OG1 3.31Å; T173-L175 PolarHBondContact O-N 3.01Å; T173-G176 PolarHBondContact O-N 3.37Å; T173-L177 VanDerWaalsContact O-CG 3.29Å; T173-L177 WeakPolarHBondContact O-CG 3.47Å; T173-L177 PolarHBondContact O-N 3.1Å
174L91.6Very high91Very high1 Ų146.1 Ų46.11%0.00525%0.254CS..Hα-helixtrans-59.4-46.7176.3-177.165.9000112.2V162 L165 T170 M171 G176 L177 F178 A187 F189 A219 V221V162-L174 HydrophobicContact CG1-CD1 4.33Å; L165-L174 HydrophobicContact CD1-CD1 3.85Å; L165-L174 HydrophobicContact CD2-CD1 4.26Å; T170-L174 PolarHBondContact O-N 3.17Å; M171-L174 HydrophobicContact CE-CD2 3.84Å; M171-L174 PolarHBondContact O-N 3.44Å; M171-L174 HydrophobicContact SD-CD2 4.49Å; L174-G176 VanDerWaalsContact C-N 3.35Å; L174-L177 PolarHBondContact O-N 3.43Å; L174-F178 HydrophobicContact CD1-CD2 4.09Å; L174-F178 HydrophobicContact CD1-CE2 3.82Å; L174-F178 WeakPolarHBondContact O-CD2 3.33Å; L174-A187 HydrophobicContact CD2-CB 4.3Å; L174-F189 HydrophobicContact CD2-CE1 4.06Å; L174-A219 HydrophobicContact CD2-CB 3.57Å; L174-V221 HydrophobicContact CD1-CG2 4.45Å; L174-V221 HydrophobicContact CD2-CG2 4.13Å; L174-V221 HydrophobicContact CG-CG2 4.26Å
175L92.6Very high91.1Very high53 Ų5349.9 Ų49.928%0.27727%0.272SS..Hα-helixtrans-66.1-38.3177.9-69.7172.5000111.8M171 K172 T173 L177 F178 R179 I184 A187M171-L175 WeakPolarHBondContact O-CB 3.38Å; M171-L175 VanDerWaalsContact O-CG 3.24Å; M171-L175 WeakPolarHBondContact O-CG 3.45Å; M171-L175 PolarHBondContact O-N 3.11Å; K172-L175 PolarHBondContact O-N 3.41Å; T173-L175 PolarHBondContact O-N 3.01Å; L175-L177 VanDerWaalsContact C-N 3.28Å; L175-L177 PolarHBondContact O-N 3.17Å; L175-F178 PolarHBondContact O-N 3.11Å; L175-R179 WeakPolarHBondContact O-CB 3.34Å; L175-R179 PolarHBondContact O-N 2.94Å; L175-I184 HydrophobicContact CD2-CB 4.33Å; L175-I184 HydrophobicContact CD2-CD1 3.65Å; L175-I184 HydrophobicContact CD2-CG2 3.76Å; L175-A187 HydrophobicContact CD2-CB 3.82Å
176G91.3Very high91.1Very high45 Ų4552.5 Ų52.546%0.46429%0.29SS..Hα-helixtrans-59.3-38.7175.300000112.7K172 T173 L174 F178K172-G176 PolarHBondContact O-N 3.16Å; T173-G176 PolarHBondContact O-N 3.37Å; L174-G176 VanDerWaalsContact C-N 3.35Å; G176-F178 VanDerWaalsContact C-N 3.26Å; G176-F178 PolarHBondContact O-N 2.74Å
177L91.3Very high91.1Very high41 Ų4152.9 Ų52.922%0.21529%0.293CS..THydrogen-bonded Turntrans-69.4-16.3178.8-70.9168.7000114.8T173 L174 L175 R235 I240T173-L177 VanDerWaalsContact O-CG 3.29Å; T173-L177 WeakPolarHBondContact O-CG 3.47Å; T173-L177 PolarHBondContact O-N 3.1Å; L174-L177 PolarHBondContact O-N 3.43Å; L175-L177 VanDerWaalsContact C-N 3.28Å; L175-L177 PolarHBondContact O-N 3.17Å; L177-R235 WeakPolarHBondContact O-CD 3.32Å; L177-R235 PolarHBondContact O-NE 3.31Å; L177-R235 PolarHBondContact O-NH1 2.71Å; L177-I240 HydrophobicContact CD1-CD1 3.33Å; L177-I240 HydrophobicContact CD1-CG1 3.81Å
178F93.8Very high91.3Very high1 Ų154.8 Ų54.80%0.00430%0.296CS..THydrogen-bonded Turntrans-123.8-4.5-176.1-72.1-71.1000113.7V162 L174 L175 G176 D180 K181 G182 I184 V221 F223 A232 R235 I246 V248V162-F178 HydrophobicContact CG1-CE2 4.19Å; V162-F178 HydrophobicContact CG1-CZ 4.25Å; V162-F178 HydrophobicContact CG2-CE2 3.7Å; V162-F178 HydrophobicContact CG2-CZ 3.7Å; L174-F178 HydrophobicContact CD1-CD2 4.09Å; L174-F178 HydrophobicContact CD1-CE2 3.82Å; L174-F178 WeakPolarHBondContact O-CD2 3.33Å; L175-F178 PolarHBondContact O-N 3.11Å; G176-F178 VanDerWaalsContact C-N 3.26Å; G176-F178 PolarHBondContact O-N 2.74Å; F178-D180 VanDerWaalsContact C-N 3.29Å; F178-D180 PolarHBondContact O-N 3.32Å; F178-K181 PolarHBondContact O-N 2.97Å; F178-G182 PolarHBondContact O-N 2.81Å; F178-I184 HydrophobicContact CB-CD1 3.9Å; F178-V221 HydrophobicContact CD2-CG2 4.35Å; F178-F223 HydrophobicContact CB-CE1 4.37Å; F178-F223 HydrophobicContact CB-CZ 3.92Å; F178-F223 HydrophobicContact CD1-CZ 4.23Å; F178-F223 HydrophobicContact CG-CZ 4.33Å; F178-A232 HydrophobicContact CD1-CB 3.89Å; F178-A232 HydrophobicContact CE1-CB 3.9Å; F178-R235 HydrophobicContact CE1-CB 4.41Å; F178-I246 HydrophobicContact CZ-CD1 4.34Å; F178-V248 HydrophobicContact CE1-CG1 4.32Å; F178-V248 HydrophobicContact CE1-CG2 4.4Å; F178-V248 HydrophobicContact CZ-CG1 4.47Å; F178-V248 HydrophobicContact CZ-CG2 4.04Å
179R93.2Very high91.3Very high186 Ų18653.3 Ų53.370%0.70228%0.281SS*.THydrogen-bonded Turntrans-62.3-35.7-177.6-179.9179.1-68.2-174.4-2.5112.9L175 K181L175-R179 WeakPolarHBondContact O-CB 3.34Å; L175-R179 PolarHBondContact O-N 2.94Å; R179-K181 VanDerWaalsContact C-N 3.32Å
180D92.7Very high91.2Very high99 Ų9955.4 Ų55.453%0.52929%0.287SS..THydrogen-bonded Turntrans-74.7-21179.565.5-53.8000113F178 R235F178-D180 VanDerWaalsContact C-N 3.29Å; F178-D180 PolarHBondContact O-N 3.32Å; D180-R235 VanDerWaalsContact CG-NH1 3.26Å; D180-R235 VanDerWaalsContact CG-NH2 3.3Å; D180-R235 IonicContact OD1-CZ 2.62Å; D180-R235 IonicContact OD1-NH1 2.78Å; D180-R235 PolarHBondContact OD1-NH1 3.38Å; D180-R235 IonicContact OD1-NH2 2.73Å; D180-R235 PolarHBondContact OD1-NH2 2.79Å; D180-R235 IonicContact OD2-CZ 3.19Å; D180-R235 VanDerWaalsContact OD2-CZ 3.26Å; D180-R235 IonicContact OD2-NH1 3.33Å; D180-R235 PolarHBondContact OD2-NH1 3.03Å; D180-R235 IonicContact OD2-NH2 3.64Å; D180-R235 PolarHBondContact OD2-NH2 2.95Å
181K93.1Very high90.5Very high41 Ų4156.4 Ų56.418%0.17830%0.296CS..THydrogen-bonded Turntrans-85.1-21.9179.4-61-65.5-177.7172.20112.7F178 R179 N231 E234 R235F178-K181 PolarHBondContact O-N 2.97Å; R179-K181 VanDerWaalsContact C-N 3.32Å; K181-N231 HydrophobicContact CB-CB 3.92Å; K181-N231 HydrophobicContact CD-CB 3.83Å; K181-N231 WeakPolarHBondContact CD-O 3.42Å; K181-N231 HydrophobicContact CG-CB 4.36Å; K181-N231 PolarHBondContact O-ND2 3.48Å; K181-E234 IonicContact NZ-OE2 2.68Å; K181-E234 PolarHBondContact NZ-OE2 2.8Å; K181-R235 VanDerWaalsContact CE-NH1 3.3Å
182G93.4Very high89.9Confident15 Ų1555 Ų5516%0.15529%0.29CS..SBendtrans167.2171.3172.400000114.2F178 I184F178-G182 PolarHBondContact O-N 2.81Å; G182-I184 PolarHBondContact O-N 3.12Å
183P94.6Very high89.1Confident64 Ų6450.9 Ų50.942%0.41627%0.272SS..  trans-68.4122.2177.127.3-33.5000111.2K224P183-K224 HydrophobicContact CB-CB 4.43Å; P183-K224 HydrophobicContact CB-CD 4.06Å; P183-K224 HydrophobicContact CB-CG 4.29Å; P183-K224 HydrophobicContact CG-CB 4.16Å; P183-K224 HydrophobicContact CG-CD 4.5Å; P183-K224 PolarHBondContact O-N 3.32Å
184I95.3Very high88.5Confident37 Ų3750.4 Ų50.419%0.1926%0.263CS..EExtended strand (participates in β ladder)trans-88.1136.4-179.4-55.9171.6000109.6L175 F178 G182 V221 V222 F223L175-I184 HydrophobicContact CD2-CB 4.33Å; L175-I184 HydrophobicContact CD2-CD1 3.65Å; L175-I184 HydrophobicContact CD2-CG2 3.76Å; F178-I184 HydrophobicContact CB-CD1 3.9Å; G182-I184 PolarHBondContact O-N 3.12Å; I184-V221 HydrophobicContact CD1-CG1 4.27Å; I184-V221 HydrophobicContact CG1-CG1 4.27Å; I184-V221 HydrophobicContact CG2-CG1 3.79Å; I184-V222 WeakPolarHBondContact CG2-O 3.47Å; I184-F223 HydrophobicContact CG1-CD1 4.02Å; I184-F223 HydrophobicContact CG1-CE1 3.77Å
185E93.1Very high87.6Confident91 Ų9155.1 Ų55.143%0.42529%0.285SS..EExtended strand (participates in β ladder)trans-87.9-52172.7-172.9-177.2147.800110.5R158 V222 K224R158-E185 IonicContact NH1-OE2 2.68Å; R158-E185 PolarHBondContact NH1-OE2 3.38Å; E185-V222 HydrophobicContact CB-CB 4.35Å; E185-V222 HydrophobicContact CB-CG1 4.13Å; E185-V222 WeakPolarHBondContact CB-O 3.37Å; E185-V222 PolarHBondContact N-O 3.35Å; E185-K224 HydrophobicContact CB-CG 4.16Å
186S91.1Very high86.6Confident54 Ų5456 Ų5638%0.37829%0.29SS..EExtended strand (participates in β ladder)trans-157.8159.1177.462.30000112V222S186-V222 PolarHBondContact N-O 3.15Å; S186-V222 PolarHBondContact O-N 3.24Å; S186-V222 WeakPolarHBondContact OG-CG2 3.47Å
187A91.7Very high85.8Confident12 Ų1259.7 Ų59.710%0.09931%0.306CS..EExtended strand (participates in β ladder)trans-134149.4172.300000110.1M171 L174 L175 Y220 V221M171-A187 HydrophobicContact SD-CB 3.97Å; L174-A187 HydrophobicContact CD2-CB 4.3Å; L175-A187 HydrophobicContact CD2-CB 3.82Å; A187-Y220 CarbonylContact C-O 3.5Å; A187-Y220 WeakPolarHBondContact CA-O 3.29Å; A187-V221 HydrophobicContact CB-CG2 4.3Å
188R88.3Confident85.1Confident80 Ų8063.1 Ų63.130%0.30233%0.333SS..EExtended strand (participates in β ladder)trans-147.3135.2-179.570.2-163.4-172.3-153.1-6.5111.6R190 A219 Y220R188-R190 VanDerWaalsContact CD-CZ 3.4Å; R188-R190 VanDerWaalsContact NE-CZ 3.32Å; R188-A219 CarbonylContact O-C 3.46Å; R188-A219 WeakPolarHBondContact O-CA 3.32Å; R188-A219 WeakPolarHBondContact O-CB 3.32Å; R188-Y220 HydrophobicContact CG-CD2 4.42Å; R188-Y220 PolarHBondContact N-O 3.37Å; R188-Y220 PolarHBondContact O-N 3.42Å
189F87.2Confident84.1Confident38 Ų3865 Ų6517%0.16734%0.343CS..EExtended strand (participates in β ladder)trans-77.7152.4167.7-70.8-53000111.2L165 C169 M171 L174 I217 N218 A219L165-F189 HydrophobicContact CD1-CE1 4.08Å; C169-F189 VanDerWaalsContact O-CZ 3.27Å; C169-F189 WeakPolarHBondContact O-CZ 3.3Å; M171-F189 HydrophobicContact CE-CB 4.15Å; M171-F189 HydrophobicContact CE-CD1 3.55Å; M171-F189 HydrophobicContact CE-CD2 3.09Å; M171-F189 HydrophobicContact CE-CE1 3.58Å; M171-F189 HydrophobicContact CE-CE2 3.13Å; M171-F189 HydrophobicContact CE-CG 3.29Å; M171-F189 HydrophobicContact CE-CZ 3.37Å; M171-F189 HydrophobicContact CG-CD2 4.35Å; M171-F189 HydrophobicContact CG-CE2 3.92Å; M171-F189 HydrophobicContact SD-CE2 4.33Å; L174-F189 HydrophobicContact CD2-CE1 4.06Å; F189-I217 HydrophobicContact CB-CG2 4.13Å; F189-I217 HydrophobicContact CD1-CG2 3.85Å; F189-I217 HydrophobicContact CG-CG2 4.2Å; F189-N218 CarbonylContact C-O 3.58Å; F189-A219 HydrophobicContact CD1-CB 3.86Å; F189-A219 HydrophobicContact CE1-CB 4.25Å
190R84Confident83.3Confident57 Ų5758 Ų5822%0.21532%0.323CS..EExtended strand (participates in β ladder)trans-143.7164.4-177.9-70.5-62.6-162.1-121.517.7110.8D112 R188 V192 I217 N218 Y220D112-R190 IonicContact OD2-CZ 3.93Å; D112-R190 IonicContact OD2-NH1 2.88Å; D112-R190 IonicContact OD2-NH2 3.78Å; D112-R190 PolarHBondContact OD2-NH2 3.09Å; R188-R190 VanDerWaalsContact CD-CZ 3.4Å; R188-R190 VanDerWaalsContact NE-CZ 3.32Å; R190-V192 PolarHBondContact O-N 2.87Å; R190-I217 WeakPolarHBondContact O-CG2 3.4Å; R190-N218 WeakPolarHBondContact CA-O 3.37Å; R190-N218 PolarHBondContact N-O 3.44Å; R190-N218 PolarHBondContact O-N 3.22Å; R190-N218 VanDerWaalsContact O-O 3.07Å; R190-Y220 HydrophobicContact CB-CD2 4.46Å; R190-Y220 HydrophobicContact CB-CE2 4.35Å; R190-Y220 HydrophobicContact CG-CD2 3.49Å; R190-Y220 VanDerWaalsContact CG-CD2 3.49Å; R190-Y220 HydrophobicContact CG-CE2 3.62Å
191S73.6Confident82.2Confident68 Ų6860 Ų6048%0.47632%0.322SS..  trans57.831.2178.5-56.40000113.5V193 K214S191-V193 PolarHBondContact O-N 3.15Å; S191-K214 WeakPolarHBondContact O-CE 3.34Å; S191-K214 PolarHBondContact O-NZ 3.08Å
192V75.7Confident80.8Confident14 Ų1460 Ų609%0.08532%0.323CS..  trans-72.6109.7171.5-175.70000107.8R190 A204 T205 V210 I217R190-V192 PolarHBondContact O-N 2.87Å; V192-A204 HydrophobicContact CG1-CB 4.45Å; V192-T205 HydrophobicContact CG2-CG2 4.38Å; V192-V210 HydrophobicContact CG1-CG1 4.44Å; V192-V210 HydrophobicContact CG1-CG2 3.77Å; V192-I217 HydrophobicContact CG2-CD1 4.45Å; V192-I217 HydrophobicContact CG2-CG2 4.21Å
193V72.4Confident79.5Confident7 Ų763 Ų634%0.04233%0.332CS..  trans-82.3120.9177.2175.10000107.6S191 V210 H211 K214 N297S191-V193 PolarHBondContact O-N 3.15Å; V193-V210 WeakPolarHBondContact O-CA 3.45Å; V193-H211 HydrophobicContact CG1-CB 4.03Å; V193-H211 PolarHBondContact O-N 2.77Å; V193-H211 VanDerWaalsContact O-N 3.11Å; V193-K214 HydrophobicContact CB-CD 3.77Å; V193-K214 HydrophobicContact CG2-CD 3.33Å; V193-N297 WeakPolarHBondContact CG1-O 3.26Å
194R77.7Confident78.4Confident54 Ų5460 Ų6020%0.20431%0.313CS..BIsolated β-bridgetrans-73.3138.3-178.9-61.7148.260.9145.811.6108.5D196 P197 S198 M199 S200 R201 A204R194-D196 WeakPolarHBondContact CB-O 2.98Å; R194-D196 PolarHBondContact NE-O 2.68Å; R194-P197 PolarHBondContact NH2-O 3.13Å; R194-S198 PolarHBondContact NH2-O 3.23Å; R194-M199 WeakPolarHBondContact CD-O 3.23Å; R194-M199 WeakPolarHBondContact CG-O 3.27Å; R194-M199 PolarHBondContact NE-O 2.76Å; R194-M199 PolarHBondContact NH2-O 3.1Å; R194-S200 VanDerWaalsContact NH2-N 3.17Å; R194-R201 HydrophobicContact CG-CG 4.35Å; R194-A204 HydrophobicContact CB-CB 4.21Å; R194-A204 HydrophobicContact CG-CB 3.62Å
195E73.6Confident77.1Confident100 Ų10060.4 Ų60.447%0.46732%0.318SS..SBendtrans-64.4-48168-174.4171.4-156.200110.2K209E195-K209 PolarHBondContact N-O 2.78Å
196D72.8Confident76.1Confident72 Ų7258.1 Ų58.139%0.38531%0.308SS..SBendtrans-100.9124.9175.1-61.6-47.5000111.7R194 S198 M199R194-D196 WeakPolarHBondContact CB-O 2.98Å; R194-D196 PolarHBondContact NE-O 2.68Å; D196-S198 PolarHBondContact O-N 2.68Å; D196-M199 HydrophobicContact CB-CB 4.09Å; D196-M199 HydrophobicContact CB-CG 3.66Å; D196-M199 PolarHBondContact O-N 3.07Å
197P72.6Confident75.2Confident123 Ų12360.7 Ų60.780%0.79931%0.312SS*.THydrogen-bonded Turntrans-63.8-12.9174.225.1-32.1000113R194R194-P197 PolarHBondContact NH2-O 3.13Å
198S76.6Confident74.1Confident112 Ų11267.9 Ų67.978%0.78334%0.337SS*.THydrogen-bonded Turntrans-80-34.3175.4-169.90000113.9R194 D196 S200R194-S198 PolarHBondContact NH2-O 3.23Å; D196-S198 PolarHBondContact O-N 2.68Å; S198-S200 PolarHBondContact O-N 2.88Å
199M73.9Confident73.4Confident41 Ų4168.8 Ų68.820%0.20234%0.343CS..SBendtrans-81.6105.1-172.7-72-62.7-57.900116.7R194 D196 E203 K207R194-M199 WeakPolarHBondContact CD-O 3.23Å; R194-M199 WeakPolarHBondContact CG-O 3.27Å; R194-M199 PolarHBondContact NE-O 2.76Å; R194-M199 PolarHBondContact NH2-O 3.1Å; D196-M199 HydrophobicContact CB-CB 4.09Å; D196-M199 HydrophobicContact CB-CG 3.66Å; D196-M199 PolarHBondContact O-N 3.07Å; M199-E203 HydrophobicContact CE-CB 3.95Å; M199-E203 WeakPolarHBondContact CE-OE2 3.47Å; M199-K207 HydrophobicContact CE-CD 3.63Å; M199-K207 VanDerWaalsContact CE-NZ 3.33Å
200S75.4Confident72.7Confident40 Ų4067.8 Ų67.828%0.2834%0.34SS..  trans-40.1143.8-171.6-177.90000114.9R194 S198 K202 E203 A204R194-S200 VanDerWaalsContact NH2-N 3.17Å; S198-S200 PolarHBondContact O-N 2.88Å; S200-K202 PolarHBondContact O-N 2.9Å; S200-E203 CarbonylContact O-C 3.59Å; S200-E203 WeakPolarHBondContact O-CA 3.42Å; S200-E203 WeakPolarHBondContact O-CB 3.4Å; S200-E203 PolarHBondContact O-N 3.5Å; S200-A204 PolarHBondContact O-N 3.12Å
201R69.3Low72.2Confident139 Ų13967.4 Ų67.453%0.52534%0.341SS..Hα-helixtrans-52.4-33.7-179-66.5-178.3-165.5942.1112.5E113 R194 T205E113-R201 IonicContact OE1-NH1 3.07Å; E113-R201 PolarHBondContact OE1-NH1 2.97Å; R194-R201 HydrophobicContact CG-CG 4.35Å; R201-T205 PolarHBondContact O-N 2.85Å; R201-T205 VanDerWaalsContact O-N 3.15Å; R201-T205 PolarHBondContact O-OG1 2.84Å
202K63.8Low72.3Confident42 Ų4268.5 Ų68.518%0.18335%0.346CS..Hα-helixtrans-62.7-50.1175.1-39-174.7163.4-174.30111A109 D110 S200 A204 T205 I206A109-K202 HydrophobicContact CB-CB 3.85Å; A109-K202 HydrophobicContact CB-CD 3.3Å; A109-K202 VanDerWaalsContact CB-CE 3.45Å; A109-K202 HydrophobicContact CB-CG 3.52Å; A109-K202 WeakPolarHBondContact O-CE 3.46Å; A109-K202 PolarHBondContact O-NZ 3.19Å; D110-K202 VanDerWaalsContact CA-NZ 3.27Å; D110-K202 IonicContact OD1-NZ 3.37Å; D110-K202 PolarHBondContact OD1-NZ 2.87Å; S200-K202 PolarHBondContact O-N 2.9Å; K202-A204 PolarHBondContact O-N 3.25Å; K202-T205 PolarHBondContact O-N 3.47Å; K202-I206 WeakPolarHBondContact O-CG1 3.32Å; K202-I206 PolarHBondContact O-N 3.44Å
203E66.8Low72.3Confident77 Ų7773.4 Ų73.436%0.3637%0.366SS..Hα-helixtrans-66.1-38.3179.4-67.9-174-135.600112.2M199 S200 T205 I206 K207M199-E203 HydrophobicContact CE-CB 3.95Å; M199-E203 WeakPolarHBondContact CE-OE2 3.47Å; S200-E203 CarbonylContact O-C 3.59Å; S200-E203 WeakPolarHBondContact O-CA 3.42Å; S200-E203 WeakPolarHBondContact O-CB 3.4Å; S200-E203 PolarHBondContact O-N 3.5Å; E203-T205 VanDerWaalsContact C-N 3.27Å; E203-T205 PolarHBondContact O-N 2.91Å; E203-I206 PolarHBondContact O-N 3.32Å; E203-K207 HydrophobicContact CB-CD 4.37Å; E203-K207 WeakPolarHBondContact O-CB 3.39Å; E203-K207 VanDerWaalsContact O-CG 3.31Å; E203-K207 WeakPolarHBondContact O-CG 3.42Å; E203-K207 PolarHBondContact O-N 3.03Å; E203-K207 IonicContact OE2-NZ 2.81Å; E203-K207 PolarHBondContact OE2-NZ 3.33Å
204A70.8Confident72.4Confident1 Ų173.9 Ų73.91%0.00837%0.368CS..Hα-helixtrans-63-35.7175.200000112.1V192 R194 S200 K202 R208 K209V192-A204 HydrophobicContact CG1-CB 4.45Å; R194-A204 HydrophobicContact CB-CB 4.21Å; R194-A204 HydrophobicContact CG-CB 3.62Å; S200-A204 PolarHBondContact O-N 3.12Å; K202-A204 PolarHBondContact O-N 3.25Å; A204-R208 CarbonylContact O-C 3.57Å; A204-R208 VanDerWaalsContact O-CA 3.25Å; A204-R208 WeakPolarHBondContact O-CA 3.38Å; A204-R208 PolarHBondContact O-N 2.91Å; A204-K209 PolarHBondContact O-N 3.45Å
205T69.3Low72.5Confident47 Ų4775.6 Ų75.629%0.28838%0.378SS..Hα-helixtrans-69.6-46.3175.5-50.20000111.1V192 R201 K202 E203 R208V192-T205 HydrophobicContact CG2-CG2 4.38Å; R201-T205 PolarHBondContact O-N 2.85Å; R201-T205 VanDerWaalsContact O-N 3.15Å; R201-T205 PolarHBondContact O-OG1 2.84Å; K202-T205 PolarHBondContact O-N 3.47Å; E203-T205 VanDerWaalsContact C-N 3.27Å; E203-T205 PolarHBondContact O-N 2.91Å; T205-R208 PolarHBondContact O-N 3.07Å
206I71.3Confident73.1Confident43 Ų4371.8 Ų71.822%0.22136%0.362CS..Hα-helixtrans-68.2-45-178.9-66.4166.2000111.3L106 K202 E203 R208L106-I206 HydrophobicContact CD2-CD1 3.93Å; L106-I206 HydrophobicContact CG-CD1 4.19Å; K202-I206 WeakPolarHBondContact O-CG1 3.32Å; K202-I206 PolarHBondContact O-N 3.44Å; E203-I206 PolarHBondContact O-N 3.32Å; I206-R208 PolarHBondContact O-N 3.27Å
207K72.3Confident73.8Confident108 Ų10868.9 Ų68.947%0.4735%0.346SS..THydrogen-bonded Turntrans-79.2-4179.1-63.1172.3174.9167.60112.1M199 E203 K209M199-K207 HydrophobicContact CE-CD 3.63Å; M199-K207 VanDerWaalsContact CE-NZ 3.33Å; E203-K207 HydrophobicContact CB-CD 4.37Å; E203-K207 WeakPolarHBondContact O-CB 3.39Å; E203-K207 VanDerWaalsContact O-CG 3.31Å; E203-K207 WeakPolarHBondContact O-CG 3.42Å; E203-K207 PolarHBondContact O-N 3.03Å; E203-K207 IonicContact OE2-NZ 2.81Å; E203-K207 PolarHBondContact OE2-NZ 3.33Å; K207-K209 HydrophobicContact CB-CD 4.43Å; K207-K209 HydrophobicContact CB-CG 4.03Å; K207-K209 PolarHBondContact O-N 3.21Å
208R69.1Low74.7Confident163 Ų16364.9 Ų64.962%0.61532%0.318SS*.THydrogen-bonded Turntrans49.227.6-173.5-63.9-177.8176.5163.4-1.3114A204 T205 I206 V210A204-R208 CarbonylContact O-C 3.57Å; A204-R208 VanDerWaalsContact O-CA 3.25Å; A204-R208 WeakPolarHBondContact O-CA 3.38Å; A204-R208 PolarHBondContact O-N 2.91Å; T205-R208 PolarHBondContact O-N 3.07Å; I206-R208 PolarHBondContact O-N 3.27Å; R208-V210 PolarHBondContact O-N 3.4Å
209K72.7Confident75.4Confident98 Ų9859.5 Ų59.543%0.42628%0.281SS..  trans-81.667.5173.7-66.9-168.9174-162.10109.2E195 A204 K207E195-K209 PolarHBondContact N-O 2.78Å; A204-K209 PolarHBondContact O-N 3.45Å; K207-K209 HydrophobicContact CB-CD 4.43Å; K207-K209 HydrophobicContact CB-CG 4.03Å; K207-K209 PolarHBondContact O-N 3.21Å
210V73.1Confident76.4Confident17 Ų1760.4 Ų60.410%0.10328%0.282CS..BIsolated β-bridgetrans-90.6138.9174.9-170.50000107.5V167 V192 V193 R208V167-V210 HydrophobicContact CG1-CB 4.11Å; V167-V210 HydrophobicContact CG1-CG2 3.84Å; V167-V210 HydrophobicContact CG2-CG1 4.3Å; V192-V210 HydrophobicContact CG1-CG1 4.44Å; V192-V210 HydrophobicContact CG1-CG2 3.77Å; V193-V210 WeakPolarHBondContact O-CA 3.45Å; R208-V210 PolarHBondContact O-N 3.4Å
211H73.4Confident77.3Confident50 Ų5058.5 Ų58.523%0.23127%0.269CS..  trans-54.5127.2178-168.6-32.9000110V193 K213 K214V193-H211 HydrophobicContact CG1-CB 4.03Å; V193-H211 PolarHBondContact O-N 2.77Å; V193-H211 VanDerWaalsContact O-N 3.11Å; H211-K213 PolarHBondContact ND1-N 3.15Å; H211-K213 PolarHBondContact O-N 3.12Å; H211-K214 PolarHBondContact O-N 3.05Å
212P76.3Confident78.5Confident90 Ų9052.3 Ų52.358%0.58425%0.247SC*.THydrogen-bonded Turntrans-58-22.9-173.618-33.7000114.8K214P212-K214 VanDerWaalsContact C-N 3.3Å; P212-K214 PolarHBondContact O-N 3.46Å
213K75.3Confident80Confident117 Ų11750.3 Ų50.351%0.50924%0.238SC..THydrogen-bonded Turntrans-74.1-19.1177.8-64.7-176179.9-177.50113.2H211 R294H211-K213 PolarHBondContact ND1-N 3.15Å; H211-K213 PolarHBondContact O-N 3.12Å; K213-R294 PolarHBondContact O-NH1 3.37Å
214K75.3Confident81.3Confident18 Ų1852.4 Ų52.48%0.07825%0.246CC..  trans-102.894.4179.2-167.2171.7-170-83.70110.1V167 S191 V193 H211 P212 S216V167-K214 VanDerWaalsContact CG2-O 3.26Å; V167-K214 WeakPolarHBondContact CG2-O 3.31Å; S191-K214 WeakPolarHBondContact O-CE 3.34Å; S191-K214 PolarHBondContact O-NZ 3.08Å; V193-K214 HydrophobicContact CB-CD 3.77Å; V193-K214 HydrophobicContact CG2-CD 3.33Å; H211-K214 PolarHBondContact O-N 3.05Å; P212-K214 VanDerWaalsContact C-N 3.3Å; P212-K214 PolarHBondContact O-N 3.46Å; K214-S216 VanDerWaalsContact C-N 3.33Å; K214-S216 WeakPolarHBondContact CG-O 3.42Å; K214-S216 PolarHBondContact NZ-O 3.42Å
215Q79.1Confident82.4Confident90 Ų9056.2 Ų56.242%0.42127%0.266SS..  trans-83.7-6.2-178.7-61.3-179.84.100113.7V167 F244 K273V167-Q215 PolarHBondContact N-O 2.99Å; Q215-F244 HydrophobicContact CB-CZ 4.21Å; Q215-F244 VanDerWaalsContact O-CE1 3.3Å; Q215-F244 WeakPolarHBondContact O-CE1 3.48Å; Q215-K273 VanDerWaalsContact OE1-CE 3.26Å
216S87Confident83.5Confident20 Ų2058.8 Ų58.814%0.1428%0.275CS..EExtended strand (participates in β ladder)trans-125.6150.2179.866.60000114.5N164 L165 K214N164-S216 WeakPolarHBondContact OD1-CB 3.24Å; L165-S216 CarbonylContact O-C 3.54Å; L165-S216 WeakPolarHBondContact O-CA 3.29Å; K214-S216 VanDerWaalsContact C-N 3.33Å; K214-S216 WeakPolarHBondContact CG-O 3.42Å; K214-S216 PolarHBondContact NZ-O 3.42Å
217I87.5Confident84.6Confident10 Ų1063 Ų635%0.05129%0.294CS..EExtended strand (participates in β ladder)trans-128.9155.5-177.6-60.1-177.8000108.5L165 V167 F189 R190 V192L165-I217 WeakPolarHBondContact CB-O 3.22Å; L165-I217 PolarHBondContact N-O 3.32Å; L165-I217 PolarHBondContact O-N 3.25Å; V167-I217 HydrophobicContact CB-CD1 4.12Å; V167-I217 HydrophobicContact CG1-CD1 4.13Å; V167-I217 HydrophobicContact CG2-CD1 3.93Å; V167-I217 HydrophobicContact CG2-CG1 3.88Å; F189-I217 HydrophobicContact CB-CG2 4.13Å; F189-I217 HydrophobicContact CD1-CG2 3.85Å; F189-I217 HydrophobicContact CG-CG2 4.2Å; R190-I217 WeakPolarHBondContact O-CG2 3.4Å; V192-I217 HydrophobicContact CG2-CD1 4.45Å; V192-I217 HydrophobicContact CG2-CG2 4.21Å
218N91.1Very high85.6Confident39 Ų3958 Ų5821%0.20927%0.273CS..EExtended strand (participates in β ladder)trans-110.8155.8173-60.3-22.9000109.7F161 V162 F189 R190F161-N218 HydrophobicContact CE2-CB 3.8Å; F161-N218 HydrophobicContact CZ-CB 4.08Å; V162-N218 CarbonylContact O-C 3.38Å; V162-N218 WeakPolarHBondContact O-CA 3.46Å; F189-N218 CarbonylContact C-O 3.58Å; R190-N218 WeakPolarHBondContact CA-O 3.37Å; R190-N218 PolarHBondContact N-O 3.44Å; R190-N218 PolarHBondContact O-N 3.22Å; R190-N218 VanDerWaalsContact O-O 3.07Å
219A91.8Very high86.7Confident0 Ų050.4 Ų50.40%024%0.244CC..EExtended strand (participates in β ladder)trans-136.4157.9175.200000111.2V162 L165 L174 R188 F189V162-A219 HydrophobicContact CB-CB 4.4Å; V162-A219 PolarHBondContact N-O 2.68Å; V162-A219 PolarHBondContact O-N 3.11Å; L165-A219 HydrophobicContact CD1-CB 3.62Å; L174-A219 HydrophobicContact CD2-CB 3.57Å; R188-A219 CarbonylContact O-C 3.46Å; R188-A219 WeakPolarHBondContact O-CA 3.32Å; R188-A219 WeakPolarHBondContact O-CB 3.32Å; F189-A219 HydrophobicContact CD1-CB 3.86Å; F189-A219 HydrophobicContact CE1-CB 4.25Å
220Y93.3Very high87.7Confident59 Ų5948.6 Ų48.623%0.23124%0.241CC..EExtended strand (participates in β ladder)trans-116.8135.1162.1-65.3-77.7000108.9V160 F161 A187 R188 R190 V251V160-Y220 VanDerWaalsContact O-CA 3.31Å; V160-Y220 WeakPolarHBondContact O-CA 3.48Å; F161-Y220 HydrophobicContact CB-CD1 4.29Å; F161-Y220 HydrophobicContact CB-CE1 4.06Å; F161-Y220 HydrophobicContact CD2-CD1 4.26Å; F161-Y220 AromaticContact CD2-CE1 3.66Å; F161-Y220 HydrophobicContact CD2-CE1 3.66Å; F161-Y220 AromaticContact CD2-CZ 3.97Å; F161-Y220 HydrophobicContact CG-CE1 4.35Å; A187-Y220 CarbonylContact C-O 3.5Å; A187-Y220 WeakPolarHBondContact CA-O 3.29Å; R188-Y220 HydrophobicContact CG-CD2 4.42Å; R188-Y220 PolarHBondContact N-O 3.37Å; R188-Y220 PolarHBondContact O-N 3.42Å; R190-Y220 HydrophobicContact CB-CD2 4.46Å; R190-Y220 HydrophobicContact CB-CE2 4.35Å; R190-Y220 HydrophobicContact CG-CD2 3.49Å; R190-Y220 VanDerWaalsContact CG-CD2 3.49Å; R190-Y220 HydrophobicContact CG-CE2 3.62Å; Y220-V251 HydrophobicContact CD1-CG2 3.56Å; Y220-V251 HydrophobicContact CE1-CG1 4.32Å; Y220-V251 HydrophobicContact CE1-CG2 3.54Å
221V94.1Very high88.7Confident1 Ų150.6 Ų50.61%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-116.9123.4174.7-176.70000107.4T159 V160 V162 L174 F178 I184 A187 F223T159-V221 CarbonylContact C-O 3.56Å; T159-V221 VanDerWaalsContact CA-O 3.3Å; T159-V221 WeakPolarHBondContact CA-O 3.47Å; V160-V221 PolarHBondContact N-O 3.07Å; V160-V221 PolarHBondContact O-N 3Å; V162-V221 HydrophobicContact CG2-CG2 4.13Å; L174-V221 HydrophobicContact CD1-CG2 4.45Å; L174-V221 HydrophobicContact CD2-CG2 4.13Å; L174-V221 HydrophobicContact CG-CG2 4.26Å; F178-V221 HydrophobicContact CD2-CG2 4.35Å; I184-V221 HydrophobicContact CD1-CG1 4.27Å; I184-V221 HydrophobicContact CG1-CG1 4.27Å; I184-V221 HydrophobicContact CG2-CG1 3.79Å; A187-V221 HydrophobicContact CB-CG2 4.3Å; V221-F223 HydrophobicContact CB-CE2 4.34Å; V221-F223 HydrophobicContact CG1-CD2 4.34Å; V221-F223 HydrophobicContact CG1-CE2 3.87Å; V221-F223 HydrophobicContact CG1-CZ 4.06Å
222V94.4Very high89.7Confident8 Ų848.2 Ų48.25%0.04824%0.241CC..EExtended strand (participates in β ladder)trans-99.9119.6177.5-172.70000107.6T159 I184 E185 S186T159-V222 HydrophobicContact CG2-CB 3.99Å; T159-V222 HydrophobicContact CG2-CG1 4Å; T159-V222 HydrophobicContact CG2-CG2 3.38Å; I184-V222 WeakPolarHBondContact CG2-O 3.47Å; E185-V222 HydrophobicContact CB-CB 4.35Å; E185-V222 HydrophobicContact CB-CG1 4.13Å; E185-V222 WeakPolarHBondContact CB-O 3.37Å; E185-V222 PolarHBondContact N-O 3.35Å; S186-V222 PolarHBondContact N-O 3.15Å; S186-V222 PolarHBondContact O-N 3.24Å; S186-V222 WeakPolarHBondContact OG-CG2 3.47Å
223F95.6Very high90.4Very high0 Ų046.6 Ų46.60%023%0.227CC..EExtended strand (participates in β ladder)trans-90.9156174.1-70.6-87.9000111R158 V160 F178 I184 V221 N225 V229 A232R158-F223 WeakPolarHBondContact CB-O 3.4Å; R158-F223 PolarHBondContact O-N 3.36Å; V160-F223 HydrophobicContact CB-CE2 4.19Å; V160-F223 HydrophobicContact CG2-CD2 3.86Å; V160-F223 HydrophobicContact CG2-CE2 3.54Å; F178-F223 HydrophobicContact CB-CE1 4.37Å; F178-F223 HydrophobicContact CB-CZ 3.92Å; F178-F223 HydrophobicContact CD1-CZ 4.23Å; F178-F223 HydrophobicContact CG-CZ 4.33Å; I184-F223 HydrophobicContact CG1-CD1 4.02Å; I184-F223 HydrophobicContact CG1-CE1 3.77Å; V221-F223 HydrophobicContact CB-CE2 4.34Å; V221-F223 HydrophobicContact CG1-CD2 4.34Å; V221-F223 HydrophobicContact CG1-CE2 3.87Å; V221-F223 HydrophobicContact CG1-CZ 4.06Å; F223-N225 VanDerWaalsContact C-N 3.33Å; F223-N225 VanDerWaalsContact CB-O 3.27Å; F223-N225 WeakPolarHBondContact CB-O 3.44Å; F223-V229 HydrophobicContact CD2-CG2 4.13Å; F223-A232 HydrophobicContact CE2-CB 4.12Å; F223-A232 HydrophobicContact CZ-CB 4.12Å
224K94.4Very high91.2Very high122 Ų12247.4 Ų47.453%0.5323%0.232SC..SBendtrans-67.8-38.5169.9-61.8-170.7-175.4178.70110.9R158 P183 E185R158-K224 WeakPolarHBondContact CD-O 3.47Å; R158-K224 PolarHBondContact NH1-O 3.47Å; P183-K224 HydrophobicContact CB-CB 4.43Å; P183-K224 HydrophobicContact CB-CD 4.06Å; P183-K224 HydrophobicContact CB-CG 4.29Å; P183-K224 HydrophobicContact CG-CB 4.16Å; P183-K224 HydrophobicContact CG-CD 4.5Å; P183-K224 PolarHBondContact O-N 3.32Å; E185-K224 HydrophobicContact CB-CG 4.16Å
225N94.9Very high92Very high80 Ų8048.3 Ų48.343%0.42824%0.235SC..SBendtrans-113.2151.3-176.5-59.9-7.9000111.6F223 E227 G228F223-N225 VanDerWaalsContact C-N 3.33Å; F223-N225 VanDerWaalsContact CB-O 3.27Å; F223-N225 WeakPolarHBondContact CB-O 3.44Å; N225-E227 VanDerWaalsContact C-N 3.3Å; N225-G228 PolarHBondContact O-N 3.25Å
226E92.3Very high92.6Very high101 Ų10145.6 Ų45.647%0.47222%0.224SC..Hα-helixtrans-70.7-25.6173.8-66.3-174.9175.100112.4R158 G228 V229 T230R158-E226 HydrophobicContact CG-CG 3.51Å; E226-G228 PolarHBondContact O-N 3.44Å; E226-V229 WeakPolarHBondContact O-CA 3.22Å; E226-V229 WeakPolarHBondContact O-CB 3.23Å; E226-V229 PolarHBondContact O-N 3.16Å; E226-T230 PolarHBondContact O-N 2.76Å
227E93.2Very high92.6Very high133 Ų13345.7 Ų45.762%0.62123%0.228SC*.Hα-helixtrans-62.3-32173.8-63.2172.3-179.200112.5N225 V229 T230 N231N225-E227 VanDerWaalsContact C-N 3.3Å; E227-V229 PolarHBondContact O-N 2.86Å; E227-T230 WeakPolarHBondContact CA-OG1 3.45Å; E227-T230 PolarHBondContact O-N 3.31Å; E227-T230 PolarHBondContact O-OG1 3.37Å; E227-N231 WeakPolarHBondContact O-CB 3.2Å; E227-N231 PolarHBondContact O-N 2.96Å; E227-N231 PolarHBondContact O-ND2 2.84Å; E227-N231 PolarHBondContact O-OD1 2.76Å
228G93.4Very high92.7Very high2 Ų248.6 Ų48.62%0.02124%0.242CC..Hα-helixtrans-60.6-31.9173.300000111.8N225 E226 A232N225-G228 PolarHBondContact O-N 3.25Å; E226-G228 PolarHBondContact O-N 3.44Å; G228-A232 WeakPolarHBondContact O-CB 3.5Å; G228-A232 PolarHBondContact O-N 2.69Å
229V93.3Very high92.7Very high3 Ų351.7 Ų51.72%0.01826%0.255CS..Hα-helixtrans-72-43.8176.9175.80000111.3R158 V160 F223 E226 E227 N231 A232 L233 R250R158-V229 WeakPolarHBondContact O-CG2 3.27Å; V160-V229 HydrophobicContact CG2-CB 3.95Å; V160-V229 HydrophobicContact CG2-CG1 3.81Å; V160-V229 HydrophobicContact CG2-CG2 3.77Å; F223-V229 HydrophobicContact CD2-CG2 4.13Å; E226-V229 WeakPolarHBondContact O-CA 3.22Å; E226-V229 WeakPolarHBondContact O-CB 3.23Å; E226-V229 PolarHBondContact O-N 3.16Å; E227-V229 PolarHBondContact O-N 2.86Å; V229-N231 VanDerWaalsContact C-N 3.34Å; V229-A232 PolarHBondContact O-N 2.95Å; V229-L233 WeakPolarHBondContact O-CG 3.34Å; V229-L233 PolarHBondContact O-N 3.11Å; V229-R250 HydrophobicContact CG1-CG 3.78Å
230T93Very high92.5Very high60 Ų6054.2 Ų54.237%0.36827%0.268SS..Hα-helixtrans-60.8-46.6177.449.90000110.8E226 E227 A232 L233 R250E226-T230 PolarHBondContact O-N 2.76Å; E227-T230 WeakPolarHBondContact CA-OG1 3.45Å; E227-T230 PolarHBondContact O-N 3.31Å; E227-T230 PolarHBondContact O-OG1 3.37Å; T230-A232 VanDerWaalsContact C-N 3.34Å; T230-A232 PolarHBondContact O-N 3.31Å; T230-L233 WeakPolarHBondContact O-CB 3.44Å; T230-L233 PolarHBondContact O-N 3.11Å; T230-R250 VanDerWaalsContact CG2-NH2 3.27Å
231N94.3Very high92.1Very high60 Ų6055.7 Ų55.732%0.32128%0.277SS..Hα-helixtrans-69.7-33.9-177.7-59.9-11.5000111.4K181 E227 V229 L233 E234K181-N231 HydrophobicContact CB-CB 3.92Å; K181-N231 HydrophobicContact CD-CB 3.83Å; K181-N231 WeakPolarHBondContact CD-O 3.42Å; K181-N231 HydrophobicContact CG-CB 4.36Å; K181-N231 PolarHBondContact O-ND2 3.48Å; E227-N231 WeakPolarHBondContact O-CB 3.2Å; E227-N231 PolarHBondContact O-N 2.96Å; E227-N231 PolarHBondContact O-ND2 2.84Å; E227-N231 PolarHBondContact O-OD1 2.76Å; V229-N231 VanDerWaalsContact C-N 3.34Å; N231-L233 VanDerWaalsContact C-N 3.28Å; N231-L233 PolarHBondContact O-N 2.91Å; N231-E234 WeakPolarHBondContact O-CB 3.46Å; N231-E234 PolarHBondContact O-N 3.42Å
232A94Very high91.7Very high0 Ų065.2 Ų65.20%032%0.318CS..Hα-helixtrans-64.4-31.1176.300000112.9V160 F178 F223 G228 V229 T230 E234 R235 V248V160-A232 HydrophobicContact CG1-CB 4.35Å; V160-A232 HydrophobicContact CG2-CB 4.03Å; F178-A232 HydrophobicContact CD1-CB 3.89Å; F178-A232 HydrophobicContact CE1-CB 3.9Å; F223-A232 HydrophobicContact CE2-CB 4.12Å; F223-A232 HydrophobicContact CZ-CB 4.12Å; G228-A232 WeakPolarHBondContact O-CB 3.5Å; G228-A232 PolarHBondContact O-N 2.69Å; V229-A232 PolarHBondContact O-N 2.95Å; T230-A232 VanDerWaalsContact C-N 3.34Å; T230-A232 PolarHBondContact O-N 3.31Å; A232-E234 PolarHBondContact O-N 2.69Å; A232-R235 WeakPolarHBondContact O-CB 3.2Å; A232-R235 PolarHBondContact O-N 3.35Å; A232-V248 HydrophobicContact CB-CG1 4.39Å; A232-V248 WeakPolarHBondContact O-CG1 3.48Å
233L92.1Very high91.2Very high55 Ų5565.5 Ų65.529%0.28832%0.324SS..Hα-helixtrans-62.3-27.8178.8-69.6172.4000113V229 T230 N231 R235 N236 V248 R250V229-L233 WeakPolarHBondContact O-CG 3.34Å; V229-L233 PolarHBondContact O-N 3.11Å; T230-L233 WeakPolarHBondContact O-CB 3.44Å; T230-L233 PolarHBondContact O-N 3.11Å; N231-L233 VanDerWaalsContact C-N 3.28Å; N231-L233 PolarHBondContact O-N 2.91Å; L233-R235 PolarHBondContact O-N 3.1Å; L233-R235 VanDerWaalsContact O-N 3.16Å; L233-N236 VanDerWaalsContact O-CB 3.24Å; L233-N236 WeakPolarHBondContact O-CB 3.43Å; L233-N236 PolarHBondContact O-N 2.96Å; L233-V248 WeakPolarHBondContact CD2-O 3.28Å; L233-R250 HydrophobicContact CD1-CG 3.97Å; L233-R250 HydrophobicContact CD2-CG 4.1Å; L233-R250 HydrophobicContact CG-CG 4.42Å
234E91.4Very high90.9Very high134 Ų13467.2 Ų67.263%0.62633%0.331SS*.THydrogen-bonded Turntrans-62.9-20.5175.8-58.6174.1164.800112.7K181 N231 A232 N236K181-E234 IonicContact NZ-OE2 2.68Å; K181-E234 PolarHBondContact NZ-OE2 2.8Å; N231-E234 WeakPolarHBondContact O-CB 3.46Å; N231-E234 PolarHBondContact O-N 3.42Å; A232-E234 PolarHBondContact O-N 2.69Å; E234-N236 VanDerWaalsContact C-N 3.25Å; E234-N236 PolarHBondContact O-N 2.85Å
235R90.9Very high90.8Very high37 Ų3762.4 Ų62.414%0.1431%0.31CS..THydrogen-bonded Turntrans-82.71.7175.9-71.6-152.8156.891.215.2114.1L177 F178 D180 K181 A232 L233 G237 M238 I246 V248L177-R235 WeakPolarHBondContact O-CD 3.32Å; L177-R235 PolarHBondContact O-NE 3.31Å; L177-R235 PolarHBondContact O-NH1 2.71Å; F178-R235 HydrophobicContact CE1-CB 4.41Å; D180-R235 VanDerWaalsContact CG-NH1 3.26Å; D180-R235 VanDerWaalsContact CG-NH2 3.3Å; D180-R235 IonicContact OD1-CZ 2.62Å; D180-R235 IonicContact OD1-NH1 2.78Å; D180-R235 PolarHBondContact OD1-NH1 3.38Å; D180-R235 IonicContact OD1-NH2 2.73Å; D180-R235 PolarHBondContact OD1-NH2 2.79Å; D180-R235 IonicContact OD2-CZ 3.19Å; D180-R235 VanDerWaalsContact OD2-CZ 3.26Å; D180-R235 IonicContact OD2-NH1 3.33Å; D180-R235 PolarHBondContact OD2-NH1 3.03Å; D180-R235 IonicContact OD2-NH2 3.64Å; D180-R235 PolarHBondContact OD2-NH2 2.95Å; K181-R235 VanDerWaalsContact CE-NH1 3.3Å; A232-R235 WeakPolarHBondContact O-CB 3.2Å; A232-R235 PolarHBondContact O-N 3.35Å; L233-R235 PolarHBondContact O-N 3.1Å; L233-R235 VanDerWaalsContact O-N 3.16Å; R235-G237 PolarHBondContact O-N 2.93Å; R235-M238 HydrophobicContact CB-CE 4.42Å; R235-M238 HydrophobicContact CG-CE 3.9Å; R235-M238 VanDerWaalsContact O-CB 3.3Å; R235-M238 WeakPolarHBondContact O-CB 3.49Å; R235-M238 PolarHBondContact O-N 2.74Å; R235-I246 HydrophobicContact CB-CD1 4.32Å; R235-I246 WeakPolarHBondContact O-CG1 3.31Å; R235-V248 HydrophobicContact CB-CG2 4.38Å
236N92.5Very high90.7Very high33 Ų3358.8 Ų58.818%0.17629%0.291CS..THydrogen-bonded Turntrans-60.5131.5177.1-165.322.9000110.4L233 E234 I246 R247 V248 E288L233-N236 VanDerWaalsContact O-CB 3.24Å; L233-N236 WeakPolarHBondContact O-CB 3.43Å; L233-N236 PolarHBondContact O-N 2.96Å; E234-N236 VanDerWaalsContact C-N 3.25Å; E234-N236 PolarHBondContact O-N 2.85Å; N236-I246 PolarHBondContact OD1-O 3.27Å; N236-R247 WeakPolarHBondContact OD1-CA 3.49Å; N236-V248 HydrophobicContact CB-CB 4.23Å; N236-V248 PolarHBondContact OD1-N 2.84Å; N236-E288 VanDerWaalsContact ND2-CG 3.3Å; N236-E288 WeakPolarHBondContact ND2-CG 3.18Å; N236-E288 PolarHBondContact ND2-OE1 3.47Å
237G87.3Confident90.7Very high22 Ų2255.6 Ų55.623%0.22727%0.274CS..THydrogen-bonded Turntrans83.42.6-177.600000115.6R235 I246R235-G237 PolarHBondContact O-N 2.93Å; G237-I246 WeakPolarHBondContact CA-O 3.31Å; G237-I246 PolarHBondContact N-O 3.02Å
238M89.2Confident90.6Very high72 Ų7249.2 Ų49.236%0.35525%0.245SC..  trans-66.4138.2175.2179.4177.8-71.200111.5R235 H245 I246R235-M238 HydrophobicContact CB-CE 4.42Å; R235-M238 HydrophobicContact CG-CE 3.9Å; R235-M238 VanDerWaalsContact O-CB 3.3Å; R235-M238 WeakPolarHBondContact O-CB 3.49Å; R235-M238 PolarHBondContact O-N 2.74Å; M238-H245 CarbonylContact O-C 3.55Å; M238-H245 WeakPolarHBondContact O-CA 3.27Å; M238-I246 HydrophobicContact CB-CD1 4.1Å; M238-I246 HydrophobicContact CB-CG1 3.99Å; M238-I246 WeakPolarHBondContact O-CG1 3.33Å; M238-I246 PolarHBondContact O-N 2.86Å
239E90.6Very high90.5Very high104 Ų10450.8 Ų50.849%0.48625%0.252SS..EExtended strand (participates in β ladder)trans-87.7123.4174-169.5174.6-161.200110.3E241 K242 G243 F244E239-E241 VanDerWaalsContact CG-O 3.32Å; E239-E241 WeakPolarHBondContact CG-O 3.37Å; E239-K242 VanDerWaalsContact OE1-CA 3.31Å; E239-K242 WeakPolarHBondContact OE1-CA 3.3Å; E239-G243 PolarHBondContact OE1-N 3.37Å; E239-F244 WeakPolarHBondContact CA-O 3.37Å
240I87.4Confident90.4Very high53 Ų5356.6 Ų56.627%0.27227%0.274SS..EExtended strand (participates in β ladder)trans-92.8-46.4176.1-67.5175.9000111L165 L177 F244 I246L165-I240 HydrophobicContact CD2-CD1 3.51Å; L177-I240 HydrophobicContact CD1-CD1 3.33Å; L177-I240 HydrophobicContact CD1-CG1 3.81Å; I240-F244 PolarHBondContact N-O 3.32Å; I240-I246 HydrophobicContact CD1-CD1 4.5Å; I240-I246 HydrophobicContact CD1-CG2 3.16Å; I240-I246 HydrophobicContact CG1-CG2 3.73Å
241E85.8Confident90.1Very high90 Ų9055.3 Ų55.342%0.42127%0.266SS..EExtended strand (participates in β ladder)trans-135.1154.3-177.9-175.2172-176.300106.9P166 S168 E239 G243 F244P166-E241 WeakPolarHBondContact CB-OE2 3.47Å; P166-E241 HydrophobicContact CG-CB 4.28Å; P166-E241 WeakPolarHBondContact CG-OE2 3.43Å; S168-E241 PolarHBondContact OG-OE2 3.14Å; E239-E241 VanDerWaalsContact CG-O 3.32Å; E239-E241 WeakPolarHBondContact CG-O 3.37Å; E241-G243 PolarHBondContact O-N 3.13Å; E241-F244 HydrophobicContact CB-CB 4.39Å; E241-F244 HydrophobicContact CB-CD2 4.1Å; E241-F244 HydrophobicContact CG-CD2 4.36Å; E241-F244 PolarHBondContact O-N 2.92Å
242K85.6Confident89.5Confident200 Ų20056.1 Ų56.187%0.8727%0.273SS*.THydrogen-bonded Turntrans-50.7112-176-68.7-175.1178.7-177.40110.9E239E239-K242 VanDerWaalsContact OE1-CA 3.31Å; E239-K242 WeakPolarHBondContact OE1-CA 3.3Å
243G83.9Confident88.3Confident15 Ų1561.8 Ų61.816%0.15530%0.304CS..THydrogen-bonded Turntrans90-2-179.700000116.8E239 E241E239-G243 PolarHBondContact OE1-N 3.37Å; E241-G243 PolarHBondContact O-N 3.13Å
244F90.2Very high87Confident35 Ų3568 Ų6815%0.15433%0.329CS..EExtended strand (participates in β ladder)trans-107.795.7179.1-71.2-87.3000111.1P166 Q215 E239 I240 E241P166-F244 HydrophobicContact CB-CD1 3.9Å; P166-F244 HydrophobicContact CB-CD2 3.97Å; P166-F244 HydrophobicContact CB-CE1 3.95Å; P166-F244 HydrophobicContact CB-CE2 4.01Å; P166-F244 HydrophobicContact CB-CG 3.9Å; P166-F244 HydrophobicContact CB-CZ 4Å; P166-F244 HydrophobicContact CG-CG 4.35Å; Q215-F244 HydrophobicContact CB-CZ 4.21Å; Q215-F244 VanDerWaalsContact O-CE1 3.3Å; Q215-F244 WeakPolarHBondContact O-CE1 3.48Å; E239-F244 WeakPolarHBondContact CA-O 3.37Å; I240-F244 PolarHBondContact N-O 3.32Å; E241-F244 HydrophobicContact CB-CB 4.39Å; E241-F244 HydrophobicContact CB-CD2 4.1Å; E241-F244 HydrophobicContact CG-CD2 4.36Å; E241-F244 PolarHBondContact O-N 2.92Å
245H91.6Very high85.6Confident22 Ų2266.1 Ų66.110%0.10233%0.33CS..EExtended strand (participates in β ladder)trans-91123.2173.6-60.673.9000108.9N164 M238 R278N164-H245 WeakPolarHBondContact CB-O 3.02Å; N164-H245 PolarHBondContact ND2-O 3.45Å; M238-H245 CarbonylContact O-C 3.55Å; M238-H245 WeakPolarHBondContact O-CA 3.27Å; H245-R278 PolarHBondContact CD2-NH1 2.77Å; H245-R278 PolarHBondContact NE2-NH1 3.25Å; H245-R278 VanDerWaalsContact NE2-NH1 3.12Å
246I92.5Very high84.7Confident3 Ų368 Ų682%0.01535%0.349CS..PPolyproline II helixtrans-76141.917960.3178000111.7V162 L165 F178 R235 N236 G237 M238 I240 V248V162-I246 HydrophobicContact CG1-CB 4.43Å; V162-I246 HydrophobicContact CG1-CG2 4.5Å; L165-I246 HydrophobicContact CD2-CG2 3.65Å; F178-I246 HydrophobicContact CZ-CD1 4.34Å; R235-I246 HydrophobicContact CB-CD1 4.32Å; R235-I246 WeakPolarHBondContact O-CG1 3.31Å; N236-I246 PolarHBondContact OD1-O 3.27Å; G237-I246 WeakPolarHBondContact CA-O 3.31Å; G237-I246 PolarHBondContact N-O 3.02Å; M238-I246 HydrophobicContact CB-CD1 4.1Å; M238-I246 HydrophobicContact CB-CG1 3.99Å; M238-I246 WeakPolarHBondContact O-CG1 3.33Å; M238-I246 PolarHBondContact O-N 2.86Å; I240-I246 HydrophobicContact CD1-CD1 4.5Å; I240-I246 HydrophobicContact CD1-CG2 3.16Å; I240-I246 HydrophobicContact CG1-CG2 3.73Å; I246-V248 HydrophobicContact CB-CG2 4.44Å; I246-V248 HydrophobicContact CD1-CG2 3.73Å; I246-V248 HydrophobicContact CG1-CG2 3.95Å
247R91.7Very high84Confident34 Ų3470.1 Ų70.113%0.12836%0.357CS..EExtended strand (participates in β ladder)trans-101.6118.2169.3174.5-178.3167.2130.810.8108.7V162 G163 N236 D249 A289V162-R247 CarbonylContact C-O 3.36Å; V162-R247 VanDerWaalsContact CA-O 3.32Å; V162-R247 WeakPolarHBondContact CA-O 3.39Å; G163-R247 PolarHBondContact N-O 3.32Å; G163-R247 PolarHBondContact O-N 3.31Å; G163-R247 VanDerWaalsContact O-N 3.1Å; N236-R247 WeakPolarHBondContact OD1-CA 3.49Å; R247-D249 IonicContact CZ-OD2 3.8Å; R247-D249 IonicContact NE-OD2 2.87Å; R247-D249 PolarHBondContact NE-OD2 3.39Å; R247-D249 IonicContact NH2-OD2 2.78Å; R247-D249 PolarHBondContact NH2-OD2 3.08Å; R247-A289 HydrophobicContact CG-CB 3.97Å
248V92.7Very high83.9Confident0 Ų072.7 Ų72.70%037%0.366CS..EExtended strand (participates in β ladder)trans-116.4113.5-179.8-170.30000109.7V160 F161 F178 A232 L233 R235 N236 I246V160-V248 HydrophobicContact CG1-CG1 3.28Å; F161-V248 WeakPolarHBondContact O-CA 3.42Å; F178-V248 HydrophobicContact CE1-CG1 4.32Å; F178-V248 HydrophobicContact CE1-CG2 4.4Å; F178-V248 HydrophobicContact CZ-CG1 4.47Å; F178-V248 HydrophobicContact CZ-CG2 4.04Å; A232-V248 HydrophobicContact CB-CG1 4.39Å; A232-V248 WeakPolarHBondContact O-CG1 3.48Å; L233-V248 WeakPolarHBondContact CD2-O 3.28Å; R235-V248 HydrophobicContact CB-CG2 4.38Å; N236-V248 HydrophobicContact CB-CB 4.23Å; N236-V248 PolarHBondContact OD1-N 2.84Å; I246-V248 HydrophobicContact CB-CG2 4.44Å; I246-V248 HydrophobicContact CD1-CG2 3.73Å; I246-V248 HydrophobicContact CG1-CG2 3.95Å
249D91.1Very high83.7Confident34 Ų3471.5 Ų71.518%0.18236%0.36CS..EExtended strand (participates in β ladder)trans-129.7157.8-178.4-68.8-32.1000112F161 R247F161-D249 HydrophobicContact CB-CB 4.4Å; F161-D249 HydrophobicContact CD1-CB 4.28Å; F161-D249 PolarHBondContact N-O 3.33Å; F161-D249 PolarHBondContact O-N 3.09Å; R247-D249 IonicContact CZ-OD2 3.8Å; R247-D249 IonicContact NE-OD2 2.87Å; R247-D249 PolarHBondContact NE-OD2 3.39Å; R247-D249 IonicContact NH2-OD2 2.78Å; R247-D249 PolarHBondContact NH2-OD2 3.08Å
250R90.7Very high83.7Confident126 Ų12675.6 Ų75.648%0.47538%0.376SS..EExtended strand (participates in β ladder)trans-71.1141164.8-61.5-170.2176.1162.43.9110.3V229 T230 L233 T252V229-R250 HydrophobicContact CG1-CG 3.78Å; T230-R250 VanDerWaalsContact CG2-NH2 3.27Å; L233-R250 HydrophobicContact CD1-CG 3.97Å; L233-R250 HydrophobicContact CD2-CG 4.1Å; L233-R250 HydrophobicContact CG-CG 4.42Å; R250-T252 VanDerWaalsContact C-N 3.33Å; R250-T252 HydrophobicContact CB-CG2 4.21Å; R250-T252 PolarHBondContact O-N 2.72Å
251V87.7Confident83.9Confident32 Ų3276.6 Ų76.619%0.19438%0.376CS..  trans-74.192170.9-175.50000108.9M156 T159 F161 Y220M156-V251 HydrophobicContact CE-CG1 3.99Å; T159-V251 WeakPolarHBondContact O-CG2 3.45Å; T159-V251 PolarHBondContact O-N 2.9Å; T159-V251 WeakPolarHBondContact OG1-CB 3.37Å; T159-V251 VanDerWaalsContact OG1-CG2 3.24Å; T159-V251 WeakPolarHBondContact OG1-CG2 3.41Å; F161-V251 HydrophobicContact CB-CG2 4.07Å; Y220-V251 HydrophobicContact CD1-CG2 3.56Å; Y220-V251 HydrophobicContact CE1-CG1 4.32Å; Y220-V251 HydrophobicContact CE1-CG2 3.54Å
252T80.5Confident84.3Confident78 Ų7872.9 Ų72.948%0.47936%0.36SS..  trans-103.1166.7172.457.50000110.6R250R250-T252 VanDerWaalsContact C-N 3.33Å; R250-T252 HydrophobicContact CB-CG2 4.21Å; R250-T252 PolarHBondContact O-N 2.72Å
253D69.4Low84.7Confident119 Ų11963.4 Ų63.464%0.63632%0.319SS*.  trans-58.8144.5170.7-75.1-43.8000110.6S255 S256D253-S255 PolarHBondContact O-N 2.93Å; D253-S256 PolarHBondContact O-N 3.5Å
254K64.1Low85.3Confident186 Ų18664.4 Ų64.481%0.80932%0.319SS*.THydrogen-bonded Turntrans-54.6-7.2-173.5-65.2179-73.5-73.90115.1H257K254-H257 PolarHBondContact O-CE1 3.18Å; K254-H257 PolarHBondContact O-ND1 3.1Å; K254-H257 VanDerWaalsContact O-ND1 3.11Å
255S62.8Low85.5Confident94 Ų9462.8 Ų62.866%0.65731%0.312SS*.THydrogen-bonded Turntrans-87-20.8179.152.50000114.2D253 H257D253-S255 PolarHBondContact O-N 2.93Å; S255-H257 PolarHBondContact O-N 3.37Å; S255-H257 VanDerWaalsContact O-N 3.1Å
256S71.2Confident85.7Confident77 Ų7761.9 Ų61.954%0.53831%0.309SS..  trans-9067-174.4-168.50000112.1D253D253-S256 PolarHBondContact O-N 3.5Å
257H77.9Confident85.8Confident76 Ų7666 Ų6635%0.35233%0.331SS..  trans-104.4136.6169.6-65.880.8000110K254 S255 H259K254-H257 PolarHBondContact O-CE1 3.18Å; K254-H257 PolarHBondContact O-ND1 3.1Å; K254-H257 VanDerWaalsContact O-ND1 3.11Å; S255-H257 PolarHBondContact O-N 3.37Å; S255-H257 VanDerWaalsContact O-N 3.1Å; H257-H259 VanDerWaalsContact C-N 3.27Å; H257-H259 PolarHBondContact O-CD2 2.9Å; H257-H259 PolarHBondContact O-N 2.98Å
258D85.1Confident85.9Confident77 Ų7764.5 Ų64.541%0.41233%0.325SS..  trans-7577.8178.4-76.9-10.3000111.6K260 R261 S262 L308D258-K260 PolarHBondContact O-N 3.42Å; D258-R261 PolarHBondContact O-N 2.93Å; D258-R261 IonicContact OD2-CZ 2.76Å; D258-R261 IonicContact OD2-NE 3.29Å; D258-R261 IonicContact OD2-NH2 3.99Å; D258-R261 PolarHBondContact OD2-NH2 3.14Å; D258-S262 VanDerWaalsContact O-CB 3.23Å; D258-S262 WeakPolarHBondContact O-CB 3.47Å; D258-S262 PolarHBondContact O-N 2.78Å; D258-S262 PolarHBondContact O-OG 2.87Å; D258-L308 HydrophobicContact CB-CD1 4.07Å
259H86.1Confident85.9Confident47 Ų4765.3 Ų65.322%0.21833%0.332CS..THydrogen-bonded Turntrans-64.1-23.7-179.5-64.9-73.6000113.6H257 S336 T338H257-H259 VanDerWaalsContact C-N 3.27Å; H257-H259 PolarHBondContact O-CD2 2.9Å; H257-H259 PolarHBondContact O-N 2.98Å; H259-S336 PolarHBondContact ND1-OG 2.98Å; H259-T338 WeakPolarHBondContact CD2-CG2 3.34Å
260K89.9Confident85.8Confident190 Ų19068.1 Ų68.183%0.82634%0.343SS*.THydrogen-bonded Turntrans-69.3-39-179.3-64.6-177.1-178.6-179.80112.5D258D258-K260 PolarHBondContact O-N 3.42Å
261R92.4Very high85.7Confident74 Ų7467.3 Ų67.328%0.27935%0.348SS..SBendtrans-97.72.9179.2-61.5-173.2-68.5151.64.6112.8D258 E288 L308 F309 E310D258-R261 PolarHBondContact O-N 2.93Å; D258-R261 IonicContact OD2-CZ 2.76Å; D258-R261 IonicContact OD2-NE 3.29Å; D258-R261 IonicContact OD2-NH2 3.99Å; D258-R261 PolarHBondContact OD2-NH2 3.14Å; R261-E288 IonicContact NH1-OE2 2.75Å; R261-E288 IonicContact NH2-OE2 3.68Å; R261-L308 HydrophobicContact CB-CD1 3.89Å; R261-F309 PolarHBondContact O-N 2.67Å; R261-E310 WeakPolarHBondContact CD-O 3.4Å; R261-E310 PolarHBondContact NH1-O 2.95Å
262S93.3Very high85.8Confident12 Ų1266.1 Ų66.18%0.08434%0.34CS..EExtended strand (participates in β ladder)trans-105144.4-178.8-64.80000112D258 V307 L308 S336D258-S262 VanDerWaalsContact O-CB 3.23Å; D258-S262 WeakPolarHBondContact O-CB 3.47Å; D258-S262 PolarHBondContact O-N 2.78Å; D258-S262 PolarHBondContact O-OG 2.87Å; S262-V307 CarbonylContact C-O 3.51Å; S262-V307 VanDerWaalsContact CA-O 3.23Å; S262-V307 WeakPolarHBondContact CA-O 3.48Å; S262-L308 WeakPolarHBondContact OG-CD1 3.3Å; S262-S336 WeakPolarHBondContact O-CB 3.16Å; S262-S336 PolarHBondContact O-N 3.01Å; S262-S336 VanDerWaalsContact O-N 3.16Å
263V95Very high86.2Confident0 Ų067.7 Ų67.70%034%0.341CS..EExtended strand (participates in β ladder)trans-116.4138.8174.9176.90000109.4V265 Y306 V307 F309 V315 A318 V333 K334V263-V265 HydrophobicContact CG1-CG2 4.33Å; V263-Y306 CarbonylContact O-C 3.49Å; V263-Y306 VanDerWaalsContact O-CA 3.23Å; V263-Y306 WeakPolarHBondContact O-CA 3.26Å; V263-V307 PolarHBondContact N-O 3.44Å; V263-V307 PolarHBondContact O-N 3.21Å; V263-F309 HydrophobicContact CB-CE2 4.13Å; V263-F309 HydrophobicContact CG2-CD2 4.09Å; V263-F309 HydrophobicContact CG2-CE2 3.71Å; V263-V315 HydrophobicContact CG2-CB 3.94Å; V263-V315 HydrophobicContact CG2-CG1 3.44Å; V263-V315 VanDerWaalsContact CG2-CG1 3.44Å; V263-V315 HydrophobicContact CG2-CG2 4.02Å; V263-A318 HydrophobicContact CG2-CB 4.13Å; V263-V333 HydrophobicContact CG1-CG1 3.14Å; V263-K334 WeakPolarHBondContact CG1-O 3.31Å
264F95.5Very high87.2Confident37 Ų3763.4 Ų63.416%0.16232%0.317CS..EExtended strand (participates in β ladder)trans-86.5129.6169169.7-90.4000109.2F304 Y306 V333 K334F264-F304 HydrophobicContact CD2-CD2 4.46Å; F264-F304 HydrophobicContact CE2-CB 3.79Å; F264-F304 AromaticContact CE2-CD2 3.69Å; F264-F304 HydrophobicContact CE2-CD2 3.69Å; F264-F304 AromaticContact CE2-CG 3.97Å; F264-F304 HydrophobicContact CE2-CG 3.97Å; F264-F304 HydrophobicContact CZ-CB 3.86Å; F264-F304 HydrophobicContact CZ-CG 4.37Å; F264-Y306 HydrophobicContact CB-CD1 4.48Å; F264-Y306 HydrophobicContact CB-CE1 4.3Å; F264-Y306 HydrophobicContact CD2-CE1 4Å; F264-Y306 AromaticContact CD2-CZ 3.97Å; F264-V333 WeakPolarHBondContact O-CA 3.47Å; F264-K334 HydrophobicContact CB-CB 4.4Å; F264-K334 HydrophobicContact CD1-CB 4.13Å; F264-K334 PolarHBondContact N-O 3.04Å; F264-K334 PolarHBondContact O-N 3.33Å
265V95.4Very high88.5Confident0 Ų056.9 Ų56.90%029%0.291CS..EExtended strand (participates in β ladder)trans-121.3121.4175.3-1680000108.5V263 L268 L277 F281 F304 G305 V307 I331 R332V263-V265 HydrophobicContact CG1-CG2 4.33Å; V265-L268 HydrophobicContact CB-CD1 4.36Å; V265-L268 HydrophobicContact CG1-CD1 4.19Å; V265-L268 HydrophobicContact CG1-CD2 3.72Å; V265-L268 HydrophobicContact CG1-CG 4.12Å; V265-L277 HydrophobicContact CG1-CD2 4.27Å; V265-F281 HydrophobicContact CG1-CE2 4.15Å; V265-F281 HydrophobicContact CG1-CZ 4.14Å; V265-F281 HydrophobicContact CG2-CE2 3.7Å; V265-F281 HydrophobicContact CG2-CZ 3.65Å; V265-F304 CarbonylContact O-C 3.55Å; V265-F304 WeakPolarHBondContact O-CA 3.23Å; V265-F304 WeakPolarHBondContact O-CB 3.39Å; V265-G305 PolarHBondContact N-O 3.31Å; V265-G305 PolarHBondContact O-N 3.23Å; V265-V307 HydrophobicContact CG2-CG2 3.92Å; V265-I331 HydrophobicContact CG1-CB 4.19Å; V265-I331 HydrophobicContact CG1-CD1 4.31Å; V265-R332 CarbonylContact C-O 3.59Å; V265-R332 WeakPolarHBondContact CA-O 3.41Å
266G94.9Very high89.9Confident4 Ų453.2 Ų53.24%0.04127%0.266CS..EExtended strand (participates in β ladder)trans-121.5176.1-179.700000112.7L268 R332G266-L268 PolarHBondContact O-N 3.16Å; G266-R332 PolarHBondContact N-O 2.91Å; G266-R332 PolarHBondContact O-N 2.83Å
267N94.9Very high91Very high88 Ų8849.6 Ų49.647%0.47124%0.241SC..SBendtrans59.132.5-175.3-159.942.2000113.8G303 S330N267-G303 PolarHBondContact N-O 3.42Å; N267-G303 VanDerWaalsContact N-O 3.08Å; N267-S330 PolarHBondContact ND2-O 2.88Å
268L93.9Very high91.7Very high3 Ų348.2 Ų48.22%0.01623%0.233CC..  trans-78.1155.1177.2-61.1175000111.1V265 G266 I272 L277 L292 G303 L326 R329 I331V265-L268 HydrophobicContact CB-CD1 4.36Å; V265-L268 HydrophobicContact CG1-CD1 4.19Å; V265-L268 HydrophobicContact CG1-CD2 3.72Å; V265-L268 HydrophobicContact CG1-CG 4.12Å; G266-L268 PolarHBondContact O-N 3.16Å; L268-I272 HydrophobicContact CB-CG2 4.1Å; L268-I272 HydrophobicContact CD1-CG2 4.46Å; L268-L277 HydrophobicContact CD1-CD1 3.92Å; L268-L277 HydrophobicContact CD1-CD2 4.14Å; L268-L277 HydrophobicContact CD2-CD2 3.8Å; L268-L292 HydrophobicContact CD1-CD2 4.04Å; L268-G303 PolarHBondContact N-O 3.3Å; L268-G303 WeakPolarHBondContact O-CA 3.48Å; L268-L326 HydrophobicContact CD2-CD2 3.95Å; L268-R329 PolarHBondContact O-NH1 3.44Å; L268-I331 HydrophobicContact CD2-CB 4.48Å; L268-I331 HydrophobicContact CD2-CG2 3.8Å
269A91.8Very high92Very high18 Ų1849.8 Ų49.815%0.14924%0.237CC..  trans-58.8145.716600000110.3D271 I272A269-D271 PolarHBondContact O-N 3.45Å; A269-I272 HydrophobicContact CB-CB 4.25Å; A269-I272 WeakPolarHBondContact O-CB 3.2Å; A269-I272 WeakPolarHBondContact O-CG2 3.36Å; A269-I272 PolarHBondContact O-N 3.27Å
270F89.8Confident92.4Very high93 Ų9349.2 Ų49.241%0.40824%0.235SC..THydrogen-bonded Turntrans-69.4-25.3-179.9-61.9-53.4000112.6L300 G301F270-L300 HydrophobicContact CB-CD1 4.09Å; F270-L300 HydrophobicContact CB-CG 4.23Å; F270-G301 WeakPolarHBondContact CD1-O 3.35Å; F270-G301 WeakPolarHBondContact O-CA 3.37Å; F270-G301 PolarHBondContact O-N 3.4Å
271D87.5Confident92.6Very high109 Ų10940.1 Ų40.158%0.58320%0.195SC*.THydrogen-bonded Turntrans-98.75.5-179.9-59.6-40.6000113.1A269 K273A269-D271 PolarHBondContact O-N 3.45Å; D271-K273 PolarHBondContact O-N 3.43Å
272I89.9Confident92.5Very high6 Ų641.3 Ų41.33%0.03120%0.204CC..  trans-52.4135.4179.4-168.663.1000110.9L268 A269 A276 L277 L292 R294 L326 E327L268-I272 HydrophobicContact CB-CG2 4.1Å; L268-I272 HydrophobicContact CD1-CG2 4.46Å; A269-I272 HydrophobicContact CB-CB 4.25Å; A269-I272 WeakPolarHBondContact O-CB 3.2Å; A269-I272 WeakPolarHBondContact O-CG2 3.36Å; A269-I272 PolarHBondContact O-N 3.27Å; I272-A276 HydrophobicContact CD1-CB 3.81Å; I272-L277 HydrophobicContact CG1-CD1 4.48Å; I272-L277 HydrophobicContact CG1-CG 4.19Å; I272-L292 HydrophobicContact CG2-CD1 4.07Å; I272-L292 HydrophobicContact CG2-CD2 3.82Å; I272-L292 WeakPolarHBondContact O-CD1 3.36Å; I272-R294 PolarHBondContact O-NH2 3.31Å; I272-L326 HydrophobicContact CD1-CD2 3.89Å; I272-L326 HydrophobicContact CD1-CG 4.16Å; I272-L326 HydrophobicContact CG1-CD2 4.41Å; I272-E327 HydrophobicContact CD1-CG 3.91Å; I272-E327 WeakPolarHBondContact CD1-OE1 3.46Å; I272-E327 WeakPolarHBondContact CD1-OE2 3.11Å
273K89.9Confident92.4Very high111 Ų11148.5 Ų48.548%0.48324%0.236SC..  trans-90.6152.1174.5-65.5-175-175.1-178.60111Q215 D271 L275 A276Q215-K273 VanDerWaalsContact OE1-CE 3.26Å; D271-K273 PolarHBondContact O-N 3.43Å; K273-L275 VanDerWaalsContact C-N 3.25Å; K273-L275 PolarHBondContact O-N 2.97Å; K273-A276 PolarHBondContact O-N 3.35Å
274E90.8Very high92.3Very high30 Ų3048.9 Ų48.914%0.1424%0.239CC..Hα-helixtrans-61.5-37.1177.7-167.4166.4154.100112N164 A276 L277 R278 V290 L292N164-E274 PolarHBondContact OD1-OE2 2.99Å; E274-A276 PolarHBondContact O-N 2.88Å; E274-L277 PolarHBondContact O-N 3.26Å; E274-R278 PolarHBondContact O-N 2.94Å; E274-V290 HydrophobicContact CG-CB 3.48Å; E274-V290 VanDerWaalsContact CG-CB 3.48Å; E274-V290 HydrophobicContact CG-CG1 3.67Å; E274-V290 HydrophobicContact CG-CG2 4.34Å; E274-V290 WeakPolarHBondContact OE1-CB 3.3Å; E274-L292 HydrophobicContact CB-CD1 4.35Å
275L91.4Very high92.1Very high48 Ų4848.1 Ų48.125%0.25124%0.241SC..Hα-helixtrans-57.4-46.5176.8-175.766.4000113K273 L277 R278 Q279K273-L275 VanDerWaalsContact C-N 3.25Å; K273-L275 PolarHBondContact O-N 2.97Å; L275-L277 VanDerWaalsContact C-N 3.28Å; L275-L277 PolarHBondContact O-N 3.12Å; L275-R278 WeakPolarHBondContact O-CB 3.37Å; L275-R278 PolarHBondContact O-N 3.12Å; L275-R278 VanDerWaalsContact O-N 3.1Å; L275-Q279 HydrophobicContact CD1-CG 4.36Å; L275-Q279 HydrophobicContact CG-CG 4.42Å; L275-Q279 WeakPolarHBondContact O-CG 3.18Å; L275-Q279 PolarHBondContact O-N 2.89Å
276A92Very high92.1Very high18 Ų1854.4 Ų54.415%0.14927%0.269CS..Hα-helixtrans-62-39-17800000111.4I272 K273 E274 H280I272-A276 HydrophobicContact CD1-CB 3.81Å; K273-A276 PolarHBondContact O-N 3.35Å; E274-A276 PolarHBondContact O-N 2.88Å; A276-H280 WeakPolarHBondContact O-CB 3.35Å; A276-H280 PolarHBondContact O-N 2.95Å; A276-H280 VanDerWaalsContact O-N 3.11Å
277L92.8Very high92Very high1 Ų154.4 Ų54.41%0.00527%0.268CS..Hα-helixtrans-66.6-44.2172.4-79.2170.4000112.2V265 L268 I272 E274 L275 Q279 H280 F281 V290 L292 L326V265-L277 HydrophobicContact CG1-CD2 4.27Å; L268-L277 HydrophobicContact CD1-CD1 3.92Å; L268-L277 HydrophobicContact CD1-CD2 4.14Å; L268-L277 HydrophobicContact CD2-CD2 3.8Å; I272-L277 HydrophobicContact CG1-CD1 4.48Å; I272-L277 HydrophobicContact CG1-CG 4.19Å; E274-L277 PolarHBondContact O-N 3.26Å; L275-L277 VanDerWaalsContact C-N 3.28Å; L275-L277 PolarHBondContact O-N 3.12Å; L277-Q279 VanDerWaalsContact C-N 3.35Å; L277-Q279 PolarHBondContact O-N 2.73Å; L277-H280 PolarHBondContact O-N 3.26Å; L277-F281 HydrophobicContact CD2-CD2 4.37Å; L277-F281 HydrophobicContact CD2-CE2 3.93Å; L277-F281 VanDerWaalsContact O-CD2 3.27Å; L277-F281 WeakPolarHBondContact O-CD2 3.4Å; L277-F281 PolarHBondContact O-N 2.82Å; L277-F281 VanDerWaalsContact O-N 3.11Å; L277-V290 HydrophobicContact CB-CG1 4.16Å; L277-V290 HydrophobicContact CD1-CG1 3.93Å; L277-L292 HydrophobicContact CD1-CD1 4.48Å; L277-L292 HydrophobicContact CD1-CD2 3.36Å; L277-L292 HydrophobicContact CD1-CG 4.07Å; L277-L326 HydrophobicContact CD2-CD2 3.67Å; L277-L326 HydrophobicContact CG-CD2 4.3Å
278R92.9Very high91.8Very high47 Ų4753.2 Ų53.218%0.17726%0.26CS..Hα-helixtrans-58.2-49.6179.9-173173.4-173.1-87-7.1110.6H245 E274 L275 F281 E282 V287 V290H245-R278 PolarHBondContact CD2-NH1 2.77Å; H245-R278 PolarHBondContact NE2-NH1 3.25Å; H245-R278 VanDerWaalsContact NE2-NH1 3.12Å; E274-R278 PolarHBondContact O-N 2.94Å; L275-R278 WeakPolarHBondContact O-CB 3.37Å; L275-R278 PolarHBondContact O-N 3.12Å; L275-R278 VanDerWaalsContact O-N 3.1Å; R278-F281 PolarHBondContact O-N 3.11Å; R278-E282 IonicContact NH1-OE1 2.63Å; R278-E282 WeakPolarHBondContact O-CB 3.1Å; R278-E282 PolarHBondContact O-N 3.23Å; R278-V287 HydrophobicContact CG-CB 4.21Å; R278-V287 HydrophobicContact CG-CG1 4.28Å; R278-V290 HydrophobicContact CB-CG2 4.36Å
279Q92.7Very high91.6Very high109 Ų10953.4 Ų53.451%0.50926%0.262SS..Hα-helixtrans-60.7-45.4178.7-71.8174.2-19.500112.1L275 L277 F281 E282L275-Q279 HydrophobicContact CD1-CG 4.36Å; L275-Q279 HydrophobicContact CG-CG 4.42Å; L275-Q279 WeakPolarHBondContact O-CG 3.18Å; L275-Q279 PolarHBondContact O-N 2.89Å; L277-Q279 VanDerWaalsContact C-N 3.35Å; L277-Q279 PolarHBondContact O-N 2.73Å; Q279-F281 VanDerWaalsContact C-N 3.28Å; Q279-F281 PolarHBondContact O-N 3.44Å; Q279-E282 WeakPolarHBondContact O-CB 3.39Å; Q279-E282 PolarHBondContact O-N 3.31Å
280H93Very high91.7Very high35 Ų3552.8 Ų52.816%0.16226%0.256CS..Hα-helixtrans-60.5-36.5179.3-172.781.5000113.2A276 L277 S324 L326A276-H280 WeakPolarHBondContact O-CB 3.35Å; A276-H280 PolarHBondContact O-N 2.95Å; A276-H280 VanDerWaalsContact O-N 3.11Å; L277-H280 PolarHBondContact O-N 3.26Å; H280-S324 PolarHBondContact CE1-OG 2.85Å; H280-S324 VanDerWaalsContact CE1-OG 3.25Å; H280-S324 PolarHBondContact NE2-OG 2.89Å; H280-L326 HydrophobicContact CB-CD1 3.94Å
281F93.9Very high91.8Very high0 Ų052.4 Ų52.40%025%0.252CS..Hα-helixtrans-94.5-5.3-178.8-75.2-70.8000113.9V265 L277 R278 Q279 E283 C284 V287 V307 F309 A318 L321 I331 V333V265-F281 HydrophobicContact CG1-CE2 4.15Å; V265-F281 HydrophobicContact CG1-CZ 4.14Å; V265-F281 HydrophobicContact CG2-CE2 3.7Å; V265-F281 HydrophobicContact CG2-CZ 3.65Å; L277-F281 HydrophobicContact CD2-CD2 4.37Å; L277-F281 HydrophobicContact CD2-CE2 3.93Å; L277-F281 VanDerWaalsContact O-CD2 3.27Å; L277-F281 WeakPolarHBondContact O-CD2 3.4Å; L277-F281 PolarHBondContact O-N 2.82Å; L277-F281 VanDerWaalsContact O-N 3.11Å; R278-F281 PolarHBondContact O-N 3.11Å; Q279-F281 VanDerWaalsContact C-N 3.28Å; Q279-F281 PolarHBondContact O-N 3.44Å; F281-E283 PolarHBondContact O-N 3.29Å; F281-C284 PolarHBondContact O-N 3.47Å; F281-C284 VanDerWaalsContact O-N 3.12Å; F281-V287 HydrophobicContact CB-CG2 4.02Å; F281-V307 HydrophobicContact CB-CG1 4.42Å; F281-V307 HydrophobicContact CD2-CG2 3.94Å; F281-V307 HydrophobicContact CE2-CG2 4.21Å; F281-F309 HydrophobicContact CB-CE1 4.08Å; F281-F309 HydrophobicContact CB-CZ 3.87Å; F281-F309 AromaticContact CD1-CZ 3.98Å; F281-F309 HydrophobicContact CD1-CZ 3.98Å; F281-F309 HydrophobicContact CG-CZ 4.15Å; F281-A318 HydrophobicContact CD1-CB 3.98Å; F281-A318 HydrophobicContact CE1-CB 4.05Å; F281-L321 HydrophobicContact CD1-CD1 4.36Å; F281-L321 HydrophobicContact CE1-CD1 4.43Å; F281-I331 HydrophobicContact CE2-CD1 4.24Å; F281-I331 HydrophobicContact CZ-CD1 3.72Å; F281-V333 HydrophobicContact CE1-CG1 4.4Å; F281-V333 HydrophobicContact CE1-CG2 4.23Å; F281-V333 HydrophobicContact CZ-CG2 3.96Å
282E91.9Very high92Very high98 Ų9848.6 Ų48.646%0.45823%0.231SC..Hα-helixtrans-64.8-30.4177.5-164.8157.1-150.100111.3R278 Q279 C284 G285R278-E282 IonicContact NH1-OE1 2.63Å; R278-E282 WeakPolarHBondContact O-CB 3.1Å; R278-E282 PolarHBondContact O-N 3.23Å; Q279-E282 WeakPolarHBondContact O-CB 3.39Å; Q279-E282 PolarHBondContact O-N 3.31Å; E282-C284 PolarHBondContact O-N 3.47Å; E282-G285 PolarHBondContact O-N 3.27Å; E282-G285 VanDerWaalsContact O-N 3.09Å
283E91.3Very high92Very high164 Ų16449.5 Ų49.577%0.76624%0.237SC*.THydrogen-bonded Turntrans-62.1-29.4173.6-62.9-179.9-175.800113F281F281-E283 PolarHBondContact O-N 3.29Å
284C91.9Very high91.9Very high8 Ų846.8 Ų46.85%0.05422%0.224CC..THydrogen-bonded Turntrans-84.3-12.7176.6-62.20000113.3F281 E282 F309 S314 M317 A318 L321F281-C284 PolarHBondContact O-N 3.47Å; F281-C284 VanDerWaalsContact O-N 3.12Å; E282-C284 PolarHBondContact O-N 3.47Å; C284-F309 HydrophobicContact CB-CE1 4.44Å; C284-S314 WeakPolarHBondContact O-CB 3.49Å; C284-S314 PolarHBondContact O-OG 3.31Å; C284-M317 HydrophobicContact CB-CB 3.91Å; C284-M317 WeakPolarHBondContact O-CE 3.45Å; C284-A318 HydrophobicContact CB-CB 4.39Å; C284-L321 WeakPolarHBondContact SG-CD1 3.12Å
285G92.5Very high91.7Very high21 Ų2147.8 Ų47.822%0.21623%0.23CC..SBendtrans138.6179.1-179.700000113.6E282 V287E282-G285 PolarHBondContact O-N 3.27Å; E282-G285 VanDerWaalsContact O-N 3.09Å; G285-V287 PolarHBondContact O-N 3.33Å; G285-V287 VanDerWaalsContact O-N 3.15Å
286K93.6Very high91.1Very high131 Ų13150.1 Ų50.157%0.5725%0.248SC*.  trans-68.9114.6-172.4-173.5155.8157.1-119.80111.5E310K286-E310 HydrophobicContact CB-CB 4.46Å; K286-E310 WeakPolarHBondContact CD-OE2 3.31Å; K286-E310 VanDerWaalsContact CE-OE2 3.27Å; K286-E310 WeakPolarHBondContact CE-OE2 3.23Å; K286-E310 VanDerWaalsContact CG-OE2 3.31Å; K286-E310 WeakPolarHBondContact CG-OE2 3.47Å; K286-E310 IonicContact NZ-OE1 2.68Å; K286-E310 PolarHBondContact NZ-OE1 3.04Å; K286-E310 IonicContact NZ-OE2 3.07Å; K286-E310 PolarHBondContact NZ-OE2 2.77Å; K286-E310 PolarHBondContact O-N 2.97Å; K286-E310 VanDerWaalsContact O-N 3.07Å
287V93.9Very high90.5Very high5 Ų555.4 Ų55.43%0.0327%0.274CS..EExtended strand (participates in β ladder)trans-83.2118.9177.1179.80000109.5R278 F281 G285 V290 V307 F309R278-V287 HydrophobicContact CG-CB 4.21Å; R278-V287 HydrophobicContact CG-CG1 4.28Å; F281-V287 HydrophobicContact CB-CG2 4.02Å; G285-V287 PolarHBondContact O-N 3.33Å; G285-V287 VanDerWaalsContact O-N 3.15Å; V287-V290 HydrophobicContact CG1-CG2 3.65Å; V287-V307 HydrophobicContact CG1-CG1 3.75Å; V287-V307 HydrophobicContact CG2-CG1 4.16Å; V287-F309 HydrophobicContact CG2-CD1 4.05Å; V287-F309 HydrophobicContact CG2-CE1 3.7Å
288E91.4Very high89.8Confident63 Ų6357.7 Ų57.729%0.29429%0.29SS..EExtended strand (participates in β ladder)trans-80.7-47.5178.7-178.2177.7179.400111N236 R261 L308N236-E288 VanDerWaalsContact ND2-CG 3.3Å; N236-E288 WeakPolarHBondContact ND2-CG 3.18Å; N236-E288 PolarHBondContact ND2-OE1 3.47Å; R261-E288 IonicContact NH1-OE2 2.75Å; R261-E288 IonicContact NH2-OE2 3.68Å; E288-L308 HydrophobicContact CB-CD2 4.3Å; E288-L308 HydrophobicContact CB-CG 4.18Å; E288-L308 HydrophobicContact CG-CD2 4.15Å; E288-L308 PolarHBondContact N-O 3.43Å
289A89.7Confident89.1Confident7 Ų755.5 Ų55.56%0.05828%0.282CS..EExtended strand (participates in β ladder)trans-154.8147.2-179.900000112R247 L308R247-A289 HydrophobicContact CG-CB 3.97Å; A289-L308 HydrophobicContact CB-CB 4.31Å; A289-L308 HydrophobicContact CB-CD2 4.36Å; A289-L308 PolarHBondContact N-O 2.79Å; A289-L308 WeakPolarHBondContact O-CB 3.36Å; A289-L308 PolarHBondContact O-N 3.03Å
290V92.9Very high88.7Confident4 Ų453.2 Ų53.22%0.02427%0.273CS..EExtended strand (participates in β ladder)trans-114150171.4-179.30000109E274 L277 R278 V287 Y306 V307E274-V290 HydrophobicContact CG-CB 3.48Å; E274-V290 VanDerWaalsContact CG-CB 3.48Å; E274-V290 HydrophobicContact CG-CG1 3.67Å; E274-V290 HydrophobicContact CG-CG2 4.34Å; E274-V290 WeakPolarHBondContact OE1-CB 3.3Å; L277-V290 HydrophobicContact CB-CG1 4.16Å; L277-V290 HydrophobicContact CD1-CG1 3.93Å; R278-V290 HydrophobicContact CB-CG2 4.36Å; V287-V290 HydrophobicContact CG1-CG2 3.65Å; V290-Y306 CarbonylContact C-O 3.5Å; V290-V307 HydrophobicContact CG1-CG2 4.37Å; V290-V307 HydrophobicContact CG2-CG1 4.34Å; V290-V307 HydrophobicContact CG2-CG2 4.34Å
291R91.2Very high88.4Confident85 Ų8552.1 Ų52.132%0.32127%0.271SS..EExtended strand (participates in β ladder)trans-139.5100.9179.3-165176.568.985.6-3.2110.7G305 Y306R291-G305 CarbonylContact O-C 3.55Å; R291-G305 WeakPolarHBondContact O-CA 3.44Å; R291-Y306 PolarHBondContact N-O 2.63Å; R291-Y306 PolarHBondContact O-N 2.91Å
292L91.8Very high88.2Confident30 Ų3057.2 Ų57.216%0.15729%0.293CS..EExtended strand (participates in β ladder)trans-81.3125.6171.4-72.1174.6000110.7L268 I272 E274 L277 R294L268-L292 HydrophobicContact CD1-CD2 4.04Å; I272-L292 HydrophobicContact CG2-CD1 4.07Å; I272-L292 HydrophobicContact CG2-CD2 3.82Å; I272-L292 WeakPolarHBondContact O-CD1 3.36Å; E274-L292 HydrophobicContact CB-CD1 4.35Å; L277-L292 HydrophobicContact CD1-CD1 4.48Å; L277-L292 HydrophobicContact CD1-CD2 3.36Å; L277-L292 HydrophobicContact CD1-CG 4.07Å; L292-R294 PolarHBondContact O-N 3.39Å
293V90.4Very high88.2Confident24 Ų2453 Ų5315%0.14528%0.276CS..EExtended strand (participates in β ladder)trans-85.3115.8176-172.90000108.9K302 F304 Y306V293-K302 HydrophobicContact CG1-CD 3.97Å; V293-K302 HydrophobicContact CG1-CG 4.43Å; V293-K302 WeakPolarHBondContact O-CB 3.33Å; V293-K302 PolarHBondContact O-N 2.95Å; V293-F304 HydrophobicContact CB-CD2 4.07Å; V293-F304 HydrophobicContact CB-CE1 4.44Å; V293-F304 HydrophobicContact CB-CE2 3.61Å; V293-F304 HydrophobicContact CB-CZ 3.82Å; V293-F304 HydrophobicContact CG1-CE1 4.47Å; V293-F304 HydrophobicContact CG1-CE2 3.96Å; V293-F304 HydrophobicContact CG1-CZ 3.74Å; V293-F304 HydrophobicContact CG2-CD2 3.88Å; V293-F304 HydrophobicContact CG2-CE2 3.44Å; V293-F304 VanDerWaalsContact CG2-CE2 3.44Å; V293-F304 HydrophobicContact CG2-CZ 4.12Å; V293-F304 PolarHBondContact N-O 2.71Å; V293-F304 VanDerWaalsContact N-O 3.11Å; V293-Y306 HydrophobicContact CG2-CD2 4.15Å; V293-Y306 HydrophobicContact CG2-CE2 3.93Å
294R88Confident88.4Confident55 Ų5548 Ų4821%0.20825%0.252CS..EExtended strand (participates in β ladder)trans-116155.3179-58.5-175.1170.2-132.2-0.2110.4K213 I272 L292 G299 L300K213-R294 PolarHBondContact O-NH1 3.37Å; I272-R294 PolarHBondContact O-NH2 3.31Å; L292-R294 PolarHBondContact O-N 3.39Å; R294-G299 PolarHBondContact NH1-O 2.69Å; R294-L300 CarbonylContact C-O 3.52Å; R294-L300 VanDerWaalsContact CA-O 3.27Å; R294-L300 WeakPolarHBondContact CA-O 3.48Å; R294-L300 WeakPolarHBondContact CB-O 3.39Å
295D86.1Confident88.5Confident50 Ų5047.6 Ų47.627%0.26725%0.249SC..  trans-71.5127.2170.8178.240.4000109.9N297 S298 G299 L300D295-N297 PolarHBondContact O-N 3.45Å; D295-S298 WeakPolarHBondContact CB-OG 2.83Å; D295-S298 WeakPolarHBondContact OD2-CB 3.38Å; D295-S298 PolarHBondContact OD2-N 3.38Å; D295-S298 VanDerWaalsContact OD2-N 3.09Å; D295-S298 PolarHBondContact OD2-OG 2.69Å; D295-G299 WeakPolarHBondContact O-CA 3.17Å; D295-G299 PolarHBondContact O-N 3.34Å; D295-L300 PolarHBondContact N-O 3.01Å
296P80.3Confident88.6Confident98 Ų9848.6 Ų48.664%0.63625%0.247SC*.THydrogen-bonded Turntrans-64.4-23.9-176.824.2-37.2000114.5
297N79.3Confident88.6Confident129 Ų12942.4 Ų42.469%0.6922%0.22SC*.THydrogen-bonded Turntrans-91-53-176.3-65-22.7000111.6V193 D295V193-N297 WeakPolarHBondContact CG1-O 3.26Å; D295-N297 PolarHBondContact O-N 3.45Å
298S78.3Confident88.6Confident48 Ų4843 Ų4334%0.33622%0.223SC..THydrogen-bonded Turntrans-83.1-18.4-179.761.60000113.7D295 L300D295-S298 WeakPolarHBondContact CB-OG 2.83Å; D295-S298 WeakPolarHBondContact OD2-CB 3.38Å; D295-S298 PolarHBondContact OD2-N 3.38Å; D295-S298 VanDerWaalsContact OD2-N 3.09Å; D295-S298 PolarHBondContact OD2-OG 2.69Å; S298-L300 PolarHBondContact O-N 3.2Å; S298-L300 VanDerWaalsContact O-N 3.15Å; S298-L300 PolarHBondContact OG-N 2.59Å
299G77.5Confident88.8Confident1 Ų140 Ų401%0.0121%0.209CC..  trans70.20.5-173.500000114.3R294 D295R294-G299 PolarHBondContact NH1-O 2.69Å; D295-G299 WeakPolarHBondContact O-CA 3.17Å; D295-G299 PolarHBondContact O-N 3.34Å
300L83.9Confident88.9Confident61 Ų6144.4 Ų44.432%0.31923%0.228SC..  trans-74.5142.3-178.6-164.764.7000110.8F270 R294 D295 S298F270-L300 HydrophobicContact CB-CD1 4.09Å; F270-L300 HydrophobicContact CB-CG 4.23Å; R294-L300 CarbonylContact C-O 3.52Å; R294-L300 VanDerWaalsContact CA-O 3.27Å; R294-L300 WeakPolarHBondContact CA-O 3.48Å; R294-L300 WeakPolarHBondContact CB-O 3.39Å; D295-L300 PolarHBondContact N-O 3.01Å; S298-L300 PolarHBondContact O-N 3.2Å; S298-L300 VanDerWaalsContact O-N 3.15Å; S298-L300 PolarHBondContact OG-N 2.59Å
301G86.8Confident89Confident12 Ų1246.3 Ų46.312%0.12424%0.242CC..EExtended strand (participates in β ladder)trans-60143.2172.400000111.6F270 G303F270-G301 WeakPolarHBondContact CD1-O 3.35Å; F270-G301 WeakPolarHBondContact O-CA 3.37Å; F270-G301 PolarHBondContact O-N 3.4Å; G301-G303 PolarHBondContact O-N 3.33Å
302K90.9Very high89Confident107 Ų10744.5 Ų44.547%0.46525%0.245SC..EExtended strand (participates in β ladder)trans-84.33.9170.8-62.2-165.9179.3-170.60113V293 F304V293-K302 HydrophobicContact CG1-CD 3.97Å; V293-K302 HydrophobicContact CG1-CG 4.43Å; V293-K302 WeakPolarHBondContact O-CB 3.33Å; V293-K302 PolarHBondContact O-N 2.95Å; K302-F304 VanDerWaalsContact C-N 3.32Å; K302-F304 HydrophobicContact CB-CD1 3.7Å; K302-F304 HydrophobicContact CB-CE1 3.42Å; K302-F304 VanDerWaalsContact CB-CE1 3.42Å; K302-F304 HydrophobicContact CB-CZ 4.32Å; K302-F304 HydrophobicContact CD-CE1 3.97Å; K302-F304 HydrophobicContact CD-CZ 4.29Å; K302-F304 HydrophobicContact CG-CE1 4.31Å
303G91.7Very high89.1Confident10 Ų1048.2 Ų48.210%0.10327%0.265CS..EExtended strand (participates in β ladder)trans75.219-177.300000114N267 L268 G301N267-G303 PolarHBondContact N-O 3.42Å; N267-G303 VanDerWaalsContact N-O 3.08Å; L268-G303 PolarHBondContact N-O 3.3Å; L268-G303 WeakPolarHBondContact O-CA 3.48Å; G301-G303 PolarHBondContact O-N 3.33Å
304F94.4Very high89.3Confident58 Ų5847.5 Ų47.525%0.25426%0.262SS..EExtended strand (participates in β ladder)trans-148.4156.7172.870.8-88.9000112.3F264 V265 V293 K302 Y306F264-F304 HydrophobicContact CD2-CD2 4.46Å; F264-F304 HydrophobicContact CE2-CB 3.79Å; F264-F304 AromaticContact CE2-CD2 3.69Å; F264-F304 HydrophobicContact CE2-CD2 3.69Å; F264-F304 AromaticContact CE2-CG 3.97Å; F264-F304 HydrophobicContact CE2-CG 3.97Å; F264-F304 HydrophobicContact CZ-CB 3.86Å; F264-F304 HydrophobicContact CZ-CG 4.37Å; V265-F304 CarbonylContact O-C 3.55Å; V265-F304 WeakPolarHBondContact O-CA 3.23Å; V265-F304 WeakPolarHBondContact O-CB 3.39Å; V293-F304 HydrophobicContact CB-CD2 4.07Å; V293-F304 HydrophobicContact CB-CE1 4.44Å; V293-F304 HydrophobicContact CB-CE2 3.61Å; V293-F304 HydrophobicContact CB-CZ 3.82Å; V293-F304 HydrophobicContact CG1-CE1 4.47Å; V293-F304 HydrophobicContact CG1-CE2 3.96Å; V293-F304 HydrophobicContact CG1-CZ 3.74Å; V293-F304 HydrophobicContact CG2-CD2 3.88Å; V293-F304 HydrophobicContact CG2-CE2 3.44Å; V293-F304 VanDerWaalsContact CG2-CE2 3.44Å; V293-F304 HydrophobicContact CG2-CZ 4.12Å; V293-F304 PolarHBondContact N-O 2.71Å; V293-F304 VanDerWaalsContact N-O 3.11Å; K302-F304 VanDerWaalsContact C-N 3.32Å; K302-F304 HydrophobicContact CB-CD1 3.7Å; K302-F304 HydrophobicContact CB-CE1 3.42Å; K302-F304 VanDerWaalsContact CB-CE1 3.42Å; K302-F304 HydrophobicContact CB-CZ 4.32Å; K302-F304 HydrophobicContact CD-CE1 3.97Å; K302-F304 HydrophobicContact CD-CZ 4.29Å; K302-F304 HydrophobicContact CG-CE1 4.31Å; F304-Y306 HydrophobicContact CD2-CE2 4.15Å; F304-Y306 HydrophobicContact CE2-CE2 4.09Å
305G94.1Very high89.6Confident1 Ų145.1 Ų45.11%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-152.2-179.5-179.700000112.1V265 R291V265-G305 PolarHBondContact N-O 3.31Å; V265-G305 PolarHBondContact O-N 3.23Å; R291-G305 CarbonylContact O-C 3.55Å; R291-G305 WeakPolarHBondContact O-CA 3.44Å
306Y94.3Very high90Very high42 Ų4247.9 Ų47.917%0.16526%0.264CS..EExtended strand (participates in β ladder)trans-128.5139.8175.3-61.2-97.4000108.9V263 F264 V290 R291 V293 F304V263-Y306 CarbonylContact O-C 3.49Å; V263-Y306 VanDerWaalsContact O-CA 3.23Å; V263-Y306 WeakPolarHBondContact O-CA 3.26Å; F264-Y306 HydrophobicContact CB-CD1 4.48Å; F264-Y306 HydrophobicContact CB-CE1 4.3Å; F264-Y306 HydrophobicContact CD2-CE1 4Å; F264-Y306 AromaticContact CD2-CZ 3.97Å; V290-Y306 CarbonylContact C-O 3.5Å; R291-Y306 PolarHBondContact N-O 2.63Å; R291-Y306 PolarHBondContact O-N 2.91Å; V293-Y306 HydrophobicContact CG2-CD2 4.15Å; V293-Y306 HydrophobicContact CG2-CE2 3.93Å; F304-Y306 HydrophobicContact CD2-CE2 4.15Å; F304-Y306 HydrophobicContact CE2-CE2 4.09Å
307V94.4Very high90.6Very high1 Ų147.8 Ų47.81%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-116.1126.4174.2-179.30000106.9S262 V263 V265 F281 V287 V290 F309S262-V307 CarbonylContact C-O 3.51Å; S262-V307 VanDerWaalsContact CA-O 3.23Å; S262-V307 WeakPolarHBondContact CA-O 3.48Å; V263-V307 PolarHBondContact N-O 3.44Å; V263-V307 PolarHBondContact O-N 3.21Å; V265-V307 HydrophobicContact CG2-CG2 3.92Å; F281-V307 HydrophobicContact CB-CG1 4.42Å; F281-V307 HydrophobicContact CD2-CG2 3.94Å; F281-V307 HydrophobicContact CE2-CG2 4.21Å; V287-V307 HydrophobicContact CG1-CG1 3.75Å; V287-V307 HydrophobicContact CG2-CG1 4.16Å; V290-V307 HydrophobicContact CG1-CG2 4.37Å; V290-V307 HydrophobicContact CG2-CG1 4.34Å; V290-V307 HydrophobicContact CG2-CG2 4.34Å; V307-F309 HydrophobicContact CB-CE2 4.24Å; V307-F309 HydrophobicContact CG1-CD2 4.26Å; V307-F309 HydrophobicContact CG1-CE1 4.19Å; V307-F309 HydrophobicContact CG1-CE2 3.75Å; V307-F309 HydrophobicContact CG1-CZ 3.72Å
308L93.3Very high91.3Very high18 Ų1841.6 Ų41.69%0.09422%0.224CC..EExtended strand (participates in β ladder)trans-101.1124174.2177.166.7000108D258 R261 S262 E288 A289D258-L308 HydrophobicContact CB-CD1 4.07Å; R261-L308 HydrophobicContact CB-CD1 3.89Å; S262-L308 WeakPolarHBondContact OG-CD1 3.3Å; E288-L308 HydrophobicContact CB-CD2 4.3Å; E288-L308 HydrophobicContact CB-CG 4.18Å; E288-L308 HydrophobicContact CG-CD2 4.15Å; E288-L308 PolarHBondContact N-O 3.43Å; A289-L308 HydrophobicContact CB-CB 4.31Å; A289-L308 HydrophobicContact CB-CD2 4.36Å; A289-L308 PolarHBondContact N-O 2.79Å; A289-L308 WeakPolarHBondContact O-CB 3.36Å; A289-L308 PolarHBondContact O-N 3.03Å
309F95Very high92.1Very high0 Ų041.5 Ų41.50%022%0.219CC..EExtended strand (participates in β ladder)trans-99.9157.5174.8-66.6-82.5000111.1R261 V263 F281 C284 V287 V307 S311 V315 A318R261-F309 PolarHBondContact O-N 2.67Å; V263-F309 HydrophobicContact CB-CE2 4.13Å; V263-F309 HydrophobicContact CG2-CD2 4.09Å; V263-F309 HydrophobicContact CG2-CE2 3.71Å; F281-F309 HydrophobicContact CB-CE1 4.08Å; F281-F309 HydrophobicContact CB-CZ 3.87Å; F281-F309 AromaticContact CD1-CZ 3.98Å; F281-F309 HydrophobicContact CD1-CZ 3.98Å; F281-F309 HydrophobicContact CG-CZ 4.15Å; C284-F309 HydrophobicContact CB-CE1 4.44Å; V287-F309 HydrophobicContact CG2-CD1 4.05Å; V287-F309 HydrophobicContact CG2-CE1 3.7Å; V307-F309 HydrophobicContact CB-CE2 4.24Å; V307-F309 HydrophobicContact CG1-CD2 4.26Å; V307-F309 HydrophobicContact CG1-CE1 4.19Å; V307-F309 HydrophobicContact CG1-CE2 3.75Å; V307-F309 HydrophobicContact CG1-CZ 3.72Å; F309-S311 WeakPolarHBondContact CB-O 3.47Å; F309-V315 HydrophobicContact CD2-CG2 4.12Å; F309-A318 HydrophobicContact CE2-CB 3.8Å; F309-A318 HydrophobicContact CZ-CB 3.76Å
310E92.9Very high92.9Very high98 Ų9846.5 Ų46.546%0.45825%0.254SS..SBendtrans-67.6-45.2173.7-172.6168-165.600111.3R261 K286R261-E310 WeakPolarHBondContact CD-O 3.4Å; R261-E310 PolarHBondContact NH1-O 2.95Å; K286-E310 HydrophobicContact CB-CB 4.46Å; K286-E310 WeakPolarHBondContact CD-OE2 3.31Å; K286-E310 VanDerWaalsContact CE-OE2 3.27Å; K286-E310 WeakPolarHBondContact CE-OE2 3.23Å; K286-E310 VanDerWaalsContact CG-OE2 3.31Å; K286-E310 WeakPolarHBondContact CG-OE2 3.47Å; K286-E310 IonicContact NZ-OE1 2.68Å; K286-E310 PolarHBondContact NZ-OE1 3.04Å; K286-E310 IonicContact NZ-OE2 3.07Å; K286-E310 PolarHBondContact NZ-OE2 2.77Å; K286-E310 PolarHBondContact O-N 2.97Å; K286-E310 VanDerWaalsContact O-N 3.07Å
311S93.7Very high93.3Very high44 Ų4445.6 Ų45.631%0.30825%0.249SC..SBendtrans-103.7152.7177.4-174.70000113F309 D313F309-S311 WeakPolarHBondContact CB-O 3.47Å; S311-D313 VanDerWaalsContact C-N 3.31Å; S311-D313 PolarHBondContact OG-N 3.02Å; S311-D313 PolarHBondContact OG-OD2 3.33Å; S311-D313 VanDerWaalsContact OG-OD2 3.07Å
312A92.3Very high93.6Very high48 Ų4849 Ų4940%0.39727%0.265SS..SBendtrans-70.6-26.9169.600000112.3S314 V315A312-S314 VanDerWaalsContact C-N 3.3Å; A312-S314 PolarHBondContact O-N 2.89Å; A312-V315 WeakPolarHBondContact O-CB 3.34Å; A312-V315 PolarHBondContact O-N 3.3Å
313D93.4Very high93.7Very high107 Ų10746 Ų4657%0.57226%0.264SS*.Hα-helixtrans-67.1-35.2-179.4-49-41.5000111.3S311 V315 E316 M317S311-D313 VanDerWaalsContact C-N 3.31Å; S311-D313 PolarHBondContact OG-N 3.02Å; S311-D313 PolarHBondContact OG-OD2 3.33Å; S311-D313 VanDerWaalsContact OG-OD2 3.07Å; D313-V315 PolarHBondContact O-N 3.39Å; D313-E316 PolarHBondContact O-N 3.25Å; D313-M317 PolarHBondContact O-N 3.35Å
314S95Very high93.7Very high10 Ų1046.9 Ų46.97%0.0727%0.268CS..Hα-helixtrans-59.8-27.7172.6-58.10000113C284 A312 E316 A318C284-S314 WeakPolarHBondContact O-CB 3.49Å; C284-S314 PolarHBondContact O-OG 3.31Å; A312-S314 VanDerWaalsContact C-N 3.3Å; A312-S314 PolarHBondContact O-N 2.89Å; S314-E316 VanDerWaalsContact C-N 3.33Å; S314-A318 VanDerWaalsContact O-CB 3.27Å; S314-A318 WeakPolarHBondContact O-CB 3.48Å; S314-A318 PolarHBondContact O-N 3.4Å
315V94.6Very high93.6Very high5 Ų552.7 Ų52.73%0.0329%0.294CS..Hα-helixtrans-66.3-39.1174177.50000110.3V263 F309 A312 D313 A318 L319 R335V263-V315 HydrophobicContact CG2-CB 3.94Å; V263-V315 HydrophobicContact CG2-CG1 3.44Å; V263-V315 VanDerWaalsContact CG2-CG1 3.44Å; V263-V315 HydrophobicContact CG2-CG2 4.02Å; F309-V315 HydrophobicContact CD2-CG2 4.12Å; A312-V315 WeakPolarHBondContact O-CB 3.34Å; A312-V315 PolarHBondContact O-N 3.3Å; D313-V315 PolarHBondContact O-N 3.39Å; V315-A318 PolarHBondContact O-N 3.46Å; V315-L319 VanDerWaalsContact O-CG 3.26Å; V315-L319 WeakPolarHBondContact O-CG 3.32Å; V315-L319 PolarHBondContact O-N 3.41Å; V315-L319 VanDerWaalsContact O-N 3.11Å; V315-R335 HydrophobicContact CG1-CG 4.46Å
316E93.6Very high93.5Very high107 Ų10753.6 Ų53.650%0.530%0.298SS..Hα-helixtrans-69.5-43.2-179.7-55.6-158.6148.800111.4D313 S314 A318 L319 S320 R335D313-E316 PolarHBondContact O-N 3.25Å; S314-E316 VanDerWaalsContact C-N 3.33Å; E316-A318 VanDerWaalsContact C-N 3.33Å; E316-A318 PolarHBondContact O-N 3.48Å; E316-L319 WeakPolarHBondContact O-CB 3.46Å; E316-L319 PolarHBondContact O-N 3.08Å; E316-L319 VanDerWaalsContact O-N 3.17Å; E316-S320 PolarHBondContact O-N 3.34Å; E316-R335 IonicContact OE1-CZ 3.42Å; E316-R335 IonicContact OE1-NH2 3.77Å; E316-R335 PolarHBondContact OE1-NH2 2.77Å
317M94.1Very high92.8Very high96 Ų9656.6 Ų56.647%0.47331%0.313SS..Hα-helixtrans-60.4-42172.4-69-168.6-85.200112.2C284 D313 L319 S320C284-M317 HydrophobicContact CB-CB 3.91Å; C284-M317 WeakPolarHBondContact O-CE 3.45Å; D313-M317 PolarHBondContact O-N 3.35Å; M317-L319 VanDerWaalsContact C-N 3.27Å; M317-L319 PolarHBondContact O-N 2.88Å; M317-S320 WeakPolarHBondContact O-CB 3.37Å; M317-S320 PolarHBondContact O-N 3.08Å; M317-S320 VanDerWaalsContact O-N 3.09Å
318A94.3Very high92.4Very high0 Ų062.4 Ų62.40%035%0.354CS..Hα-helixtrans-62.7-32.1177.100000112.8V263 F281 C284 F309 S314 V315 E316 S320 L321 V333V263-A318 HydrophobicContact CG2-CB 4.13Å; F281-A318 HydrophobicContact CD1-CB 3.98Å; F281-A318 HydrophobicContact CE1-CB 4.05Å; C284-A318 HydrophobicContact CB-CB 4.39Å; F309-A318 HydrophobicContact CE2-CB 3.8Å; F309-A318 HydrophobicContact CZ-CB 3.76Å; S314-A318 VanDerWaalsContact O-CB 3.27Å; S314-A318 WeakPolarHBondContact O-CB 3.48Å; S314-A318 PolarHBondContact O-N 3.4Å; V315-A318 PolarHBondContact O-N 3.46Å; E316-A318 VanDerWaalsContact C-N 3.33Å; E316-A318 PolarHBondContact O-N 3.48Å; A318-S320 VanDerWaalsContact C-N 3.27Å; A318-S320 PolarHBondContact O-N 2.83Å; A318-L321 WeakPolarHBondContact O-CB 3.14Å; A318-L321 PolarHBondContact O-N 2.95Å; A318-L321 VanDerWaalsContact O-N 3.15Å; A318-V333 VanDerWaalsContact O-CG1 3.29Å; A318-V333 WeakPolarHBondContact O-CG1 3.25Å
319L94.6Very high92.3Very high45 Ų4566.3 Ų66.324%0.23637%0.368CS..Hα-helixtrans-66.7-29.9175.7-67.2164.7000112.4V315 E316 M317 L321 D322 V333 R335V315-L319 VanDerWaalsContact O-CG 3.26Å; V315-L319 WeakPolarHBondContact O-CG 3.32Å; V315-L319 PolarHBondContact O-N 3.41Å; V315-L319 VanDerWaalsContact O-N 3.11Å; E316-L319 WeakPolarHBondContact O-CB 3.46Å; E316-L319 PolarHBondContact O-N 3.08Å; E316-L319 VanDerWaalsContact O-N 3.17Å; M317-L319 VanDerWaalsContact C-N 3.27Å; M317-L319 PolarHBondContact O-N 2.88Å; L319-L321 PolarHBondContact O-N 3.49Å; L319-D322 WeakPolarHBondContact O-CB 3.42Å; L319-D322 PolarHBondContact O-N 2.83Å; L319-D322 VanDerWaalsContact O-N 3.16Å; L319-V333 HydrophobicContact CD2-CG1 4.46Å; L319-R335 HydrophobicContact CD1-CG 3.56Å; L319-R335 HydrophobicContact CD2-CG 3.99Å; L319-R335 HydrophobicContact CG-CG 4.35Å
320S94.1Very high92.3Very high106 Ų10669.4 Ų69.474%0.74139%0.39SS*.Hα-helixtrans-68.2-18.9174.5-56.30000112.7E316 M317 A318 D322E316-S320 PolarHBondContact O-N 3.34Å; M317-S320 WeakPolarHBondContact O-CB 3.37Å; M317-S320 PolarHBondContact O-N 3.08Å; M317-S320 VanDerWaalsContact O-N 3.09Å; A318-S320 VanDerWaalsContact C-N 3.27Å; A318-S320 PolarHBondContact O-N 2.83Å; S320-D322 VanDerWaalsContact C-N 3.27Å; S320-D322 PolarHBondContact O-N 3.39Å
321L92Very high92.4Very high42 Ų4264.9 Ų64.922%0.2237%0.368CS..THydrogen-bonded Turntrans-84.29.4172.3-61.3-172.3000113.7F281 C284 A318 L319 G323 S324F281-L321 HydrophobicContact CD1-CD1 4.36Å; F281-L321 HydrophobicContact CE1-CD1 4.43Å; C284-L321 WeakPolarHBondContact SG-CD1 3.12Å; A318-L321 WeakPolarHBondContact O-CB 3.14Å; A318-L321 PolarHBondContact O-N 2.95Å; A318-L321 VanDerWaalsContact O-N 3.15Å; L319-L321 PolarHBondContact O-N 3.49Å; L321-G323 PolarHBondContact O-N 3.13Å; L321-S324 WeakPolarHBondContact O-CB 3.37Å; L321-S324 PolarHBondContact O-N 3.34Å; L321-S324 VanDerWaalsContact O-N 3.12Å; L321-S324 PolarHBondContact O-OG 2.89Å; L321-S324 VanDerWaalsContact O-OG 3.12Å
322D93.9Very high92.5Very high85 Ų8568.8 Ų68.846%0.45538%0.376SS..THydrogen-bonded Turntrans-59.4126.2173.1-168.331.8000110.7L319 S320 R332 V333L319-D322 WeakPolarHBondContact O-CB 3.42Å; L319-D322 PolarHBondContact O-N 2.83Å; L319-D322 VanDerWaalsContact O-N 3.16Å; S320-D322 VanDerWaalsContact C-N 3.27Å; S320-D322 PolarHBondContact O-N 3.39Å; D322-R332 VanDerWaalsContact OD1-CA 3.23Å; D322-R332 WeakPolarHBondContact OD1-CA 3.46Å; D322-V333 HydrophobicContact CB-CB 4.15Å; D322-V333 PolarHBondContact OD1-N 2.84Å
323G91.6Very high92.7Very high44 Ų4466.7 Ų66.745%0.45436%0.359SS..THydrogen-bonded Turntrans90.3-2.6-176.600000115.6L321 I331L321-G323 PolarHBondContact O-N 3.13Å; G323-I331 WeakPolarHBondContact CA-O 3.5Å; G323-I331 PolarHBondContact N-O 3.37Å
324S92.9Very high92.7Very high28 Ų2865.8 Ų65.820%0.19635%0.35CS..  trans-62.6152.1175.671.30000111.9H280 L321 S330 I331H280-S324 PolarHBondContact CE1-OG 2.85Å; H280-S324 VanDerWaalsContact CE1-OG 3.25Å; H280-S324 PolarHBondContact NE2-OG 2.89Å; L321-S324 WeakPolarHBondContact O-CB 3.37Å; L321-S324 PolarHBondContact O-N 3.34Å; L321-S324 VanDerWaalsContact O-N 3.12Å; L321-S324 PolarHBondContact O-OG 2.89Å; L321-S324 VanDerWaalsContact O-OG 3.12Å; S324-S330 CarbonylContact O-C 3.49Å; S324-S330 WeakPolarHBondContact O-CA 3.26Å; S324-I331 WeakPolarHBondContact O-CG1 3.4Å; S324-I331 PolarHBondContact O-N 3Å; S324-I331 WeakPolarHBondContact OG-CD1 3.21Å; S324-I331 WeakPolarHBondContact OG-CG1 3.27Å
325K92.3Very high92.6Very high180 Ų18072 Ų7278%0.78337%0.372SS*.EExtended strand (participates in β ladder)trans-88.2127.1-179.4-67.2179.8-179.3176.90110.8R329K325-R329 WeakPolarHBondContact CA-O 3.4Å
326L90.7Very high92.4Very high19 Ų1972.4 Ų72.410%0.09937%0.374CS..EExtended strand (participates in β ladder)trans-129.3124.1172.9-172.468.3000109.2L268 I272 L277 H280 S328 R329 I331L268-L326 HydrophobicContact CD2-CD2 3.95Å; I272-L326 HydrophobicContact CD1-CD2 3.89Å; I272-L326 HydrophobicContact CD1-CG 4.16Å; I272-L326 HydrophobicContact CG1-CD2 4.41Å; L277-L326 HydrophobicContact CD2-CD2 3.67Å; L277-L326 HydrophobicContact CG-CD2 4.3Å; H280-L326 HydrophobicContact CB-CD1 3.94Å; L326-S328 PolarHBondContact O-N 3.26Å; L326-S328 VanDerWaalsContact O-N 3.13Å; L326-R329 PolarHBondContact N-O 3.49Å; L326-R329 PolarHBondContact O-N 3.41Å; L326-I331 HydrophobicContact CB-CG2 3.44Å; L326-I331 VanDerWaalsContact CB-CG2 3.44Å; L326-I331 HydrophobicContact CD2-CG2 4Å; L326-I331 HydrophobicContact CG-CG2 4.39Å
327E81Confident91.9Very high105 Ų10570 Ų7049%0.49137%0.367SS..THydrogen-bonded Turntrans4544.9179.9-64.1-174.1172.400113.7I272 R329I272-E327 HydrophobicContact CD1-CG 3.91Å; I272-E327 WeakPolarHBondContact CD1-OE1 3.46Å; I272-E327 WeakPolarHBondContact CD1-OE2 3.11Å; E327-R329 PolarHBondContact O-N 3.24Å
328S84.9Confident91.2Very high124 Ų12467.1 Ų67.187%0.86736%0.355SS*.THydrogen-bonded Turntrans79.10.4-179.1-158.50000117.1L326L326-S328 PolarHBondContact O-N 3.26Å; L326-S328 VanDerWaalsContact O-N 3.13Å
329R92Very high90Very high100 Ų10075.2 Ų75.238%0.37739%0.39SS..EExtended strand (participates in β ladder)trans-117.8142.2176.2-64.2-176.6-179.8177.30.3111.9L268 K325 L326 E327 I331L268-R329 PolarHBondContact O-NH1 3.44Å; K325-R329 WeakPolarHBondContact CA-O 3.4Å; L326-R329 PolarHBondContact N-O 3.49Å; L326-R329 PolarHBondContact O-N 3.41Å; E327-R329 PolarHBondContact O-N 3.24Å; R329-I331 PolarHBondContact O-N 3.15Å
330S94.4Very high88.6Confident65 Ų6579.6 Ų79.646%0.45541%0.409SS..EExtended strand (participates in β ladder)trans-74.1118.3170.956.80000109.7N267 S324N267-S330 PolarHBondContact ND2-O 2.88Å; S324-S330 CarbonylContact O-C 3.49Å; S324-S330 WeakPolarHBondContact O-CA 3.26Å
331I95.9Very high87.1Confident3 Ų381.6 Ų81.62%0.01541%0.405CS..  trans-76.7154-179.869.9178.5000110.7V265 L268 F281 G323 S324 L326 R329 V333V265-I331 HydrophobicContact CG1-CB 4.19Å; V265-I331 HydrophobicContact CG1-CD1 4.31Å; L268-I331 HydrophobicContact CD2-CB 4.48Å; L268-I331 HydrophobicContact CD2-CG2 3.8Å; F281-I331 HydrophobicContact CE2-CD1 4.24Å; F281-I331 HydrophobicContact CZ-CD1 3.72Å; G323-I331 WeakPolarHBondContact CA-O 3.5Å; G323-I331 PolarHBondContact N-O 3.37Å; S324-I331 WeakPolarHBondContact O-CG1 3.4Å; S324-I331 PolarHBondContact O-N 3Å; S324-I331 WeakPolarHBondContact OG-CD1 3.21Å; S324-I331 WeakPolarHBondContact OG-CG1 3.27Å; L326-I331 HydrophobicContact CB-CG2 3.44Å; L326-I331 VanDerWaalsContact CB-CG2 3.44Å; L326-I331 HydrophobicContact CD2-CG2 4Å; L326-I331 HydrophobicContact CG-CG2 4.39Å; R329-I331 PolarHBondContact O-N 3.15Å; I331-V333 HydrophobicContact CD1-CG2 3.79Å; I331-V333 HydrophobicContact CG1-CG2 3.89Å
332R95.1Very high85.8Confident126 Ų12683.8 Ų83.848%0.47541%0.414SS..EExtended strand (participates in β ladder)trans-113.6113.8175.4-173.8-171.7-171.3-163.710.9110.1V265 G266 D322 K334V265-R332 CarbonylContact C-O 3.59Å; V265-R332 WeakPolarHBondContact CA-O 3.41Å; G266-R332 PolarHBondContact N-O 2.91Å; G266-R332 PolarHBondContact O-N 2.83Å; D322-R332 VanDerWaalsContact OD1-CA 3.23Å; D322-R332 WeakPolarHBondContact OD1-CA 3.46Å; R332-K334 VanDerWaalsContact NE-CE 3.27Å
333V95.6Very high84.4Confident4 Ų484.3 Ų84.32%0.02442%0.415CS..EExtended strand (participates in β ladder)trans-107.7127.8-175.8-166.50000110.5V263 F264 F281 A318 L319 D322 I331V263-V333 HydrophobicContact CG1-CG1 3.14Å; F264-V333 WeakPolarHBondContact O-CA 3.47Å; F281-V333 HydrophobicContact CE1-CG1 4.4Å; F281-V333 HydrophobicContact CE1-CG2 4.23Å; F281-V333 HydrophobicContact CZ-CG2 3.96Å; A318-V333 VanDerWaalsContact O-CG1 3.29Å; A318-V333 WeakPolarHBondContact O-CG1 3.25Å; L319-V333 HydrophobicContact CD2-CG1 4.46Å; D322-V333 HydrophobicContact CB-CB 4.15Å; D322-V333 PolarHBondContact OD1-N 2.84Å; I331-V333 HydrophobicContact CD1-CG2 3.79Å; I331-V333 HydrophobicContact CG1-CG2 3.89Å
334K94.7Very high83Confident88 Ų8887.5 Ų87.538%0.38342%0.422SS..EExtended strand (participates in β ladder)trans-142154.9179.4-66.1-166.7165.5-165.80111.5V263 F264 R332 S336V263-K334 WeakPolarHBondContact CG1-O 3.31Å; F264-K334 HydrophobicContact CB-CB 4.4Å; F264-K334 HydrophobicContact CD1-CB 4.13Å; F264-K334 PolarHBondContact N-O 3.04Å; F264-K334 PolarHBondContact O-N 3.33Å; R332-K334 VanDerWaalsContact NE-CE 3.27Å; K334-S336 PolarHBondContact O-N 3.35Å
335R92.8Very high81.5Confident141 Ų14192.6 Ų92.653%0.53244%0.441SS..EExtended strand (participates in β ladder)trans-58.1134.6170-70.8-172.4177.6-160.1-6.7109.8V315 E316 L319V315-R335 HydrophobicContact CG1-CG 4.46Å; E316-R335 IonicContact OE1-CZ 3.42Å; E316-R335 IonicContact OE1-NH2 3.77Å; E316-R335 PolarHBondContact OE1-NH2 2.77Å; L319-R335 HydrophobicContact CD1-CG 3.56Å; L319-R335 HydrophobicContact CD2-CG 3.99Å; L319-R335 HydrophobicContact CG-CG 4.35Å
336S89.1Confident80Confident12 Ų1288.4 Ų88.48%0.08443%0.43CS..  trans-64.7138.8173.1-173.80000109.4H259 S262 K334H259-S336 PolarHBondContact ND1-OG 2.98Å; S262-S336 WeakPolarHBondContact O-CB 3.16Å; S262-S336 PolarHBondContact O-N 3.01Å; S262-S336 VanDerWaalsContact O-N 3.16Å; K334-S336 PolarHBondContact O-N 3.35Å
337V84.4Confident78.5Confident56 Ų5692.6 Ų92.634%0.33945%0.453SS..  trans-127.8141.6-177.3-78.50000108.8Q342V337-Q342 HydrophobicContact CB-CG 4.08Å; V337-Q342 HydrophobicContact CG2-CG 3.29Å
338T77.9Confident77.5Confident37 Ų3791 Ų9123%0.22745%0.453CS..  trans-61.7147.3174.156.30000109.8H259 E340 K341 Q342H259-T338 WeakPolarHBondContact CD2-CG2 3.34Å; T338-E340 PolarHBondContact O-N 3.41Å; T338-K341 PolarHBondContact O-N 3.22Å; T338-K341 VanDerWaalsContact O-N 3.08Å; T338-K341 WeakPolarHBondContact OG1-CB 3.1Å; T338-K341 WeakPolarHBondContact OG1-CG 3.33Å; T338-K341 PolarHBondContact OG1-N 3.5Å; T338-Q342 PolarHBondContact O-N 2.77Å
339K69.4Low76.1Confident170 Ų17091.6 Ų91.674%0.73944%0.44SS*.Hα-helixtrans-55.3-38177.8-79.2-179.1177.6176.30112.2Q342 I343K339-Q342 PolarHBondContact O-N 3.39Å; K339-I343 WeakPolarHBondContact O-CG1 3.37Å; K339-I343 PolarHBondContact O-N 3.05Å
340E66.4Low74.2Confident137 Ų13788.9 Ų88.964%0.6444%0.443SS*.Hα-helixtrans-60-46.4176-68.7140.7-162.900112T338 Q342 I343 N344T338-E340 PolarHBondContact O-N 3.41Å; E340-Q342 VanDerWaalsContact C-N 3.31Å; E340-Q342 PolarHBondContact O-N 3.46Å; E340-I343 PolarHBondContact O-N 3.18Å; E340-N344 PolarHBondContact O-N 2.94Å; E340-N344 VanDerWaalsContact O-N 3.11Å
341K62.6Low72.3Confident148 Ų14889 Ų8964%0.64345%0.448SS*.Hα-helixtrans-67.4-32.2176.7-73.9-178.8178.9-177.10112.1T338 K345T338-K341 PolarHBondContact O-N 3.22Å; T338-K341 VanDerWaalsContact O-N 3.08Å; T338-K341 WeakPolarHBondContact OG1-CB 3.1Å; T338-K341 WeakPolarHBondContact OG1-CG 3.33Å; T338-K341 PolarHBondContact OG1-N 3.5Å; K341-K345 WeakPolarHBondContact O-CB 3.35Å; K341-K345 PolarHBondContact O-N 3.43Å
342Q63.6Low70.1Confident88 Ų8895.1 Ų95.141%0.41148%0.48SS..Hα-helixtrans-65.2-47.1173.8-72.4-153.8-27.900112.3V337 T338 K339 E340 N344 K345 T346V337-Q342 HydrophobicContact CB-CG 4.08Å; V337-Q342 HydrophobicContact CG2-CG 3.29Å; T338-Q342 PolarHBondContact O-N 2.77Å; K339-Q342 PolarHBondContact O-N 3.39Å; E340-Q342 VanDerWaalsContact C-N 3.31Å; E340-Q342 PolarHBondContact O-N 3.46Å; Q342-N344 VanDerWaalsContact C-N 3.31Å; Q342-N344 PolarHBondContact O-N 3.45Å; Q342-K345 PolarHBondContact O-N 3.15Å; Q342-K345 VanDerWaalsContact O-N 3.15Å; Q342-T346 PolarHBondContact O-N 3.09Å; Q342-T346 PolarHBondContact O-OG1 3.48Å
343I64.1Low68Low95 Ų9599 Ų9949%0.48749%0.494SS..Hα-helixtrans-60.9-42.2179.3-65.3162.7000110.7K339 E340 K345 T346 N347K339-I343 WeakPolarHBondContact O-CG1 3.37Å; K339-I343 PolarHBondContact O-N 3.05Å; E340-I343 PolarHBondContact O-N 3.18Å; I343-K345 VanDerWaalsContact C-N 3.34Å; I343-K345 PolarHBondContact O-N 2.65Å; I343-T346 WeakPolarHBondContact CA-OG1 3.4Å; I343-T346 PolarHBondContact O-N 2.84Å; I343-T346 PolarHBondContact O-OG1 3.49Å; I343-N347 WeakPolarHBondContact O-CB 3.48Å; I343-N347 PolarHBondContact O-N 3.47Å
344N63.1Low65.9Low111 Ų111107 Ų10759%0.59453%0.529SS*.Hα-helixtrans-67.4-34.6177.7-68.6-6.6000112.3E340 Q342 S348E340-N344 PolarHBondContact O-N 2.94Å; E340-N344 VanDerWaalsContact O-N 3.11Å; Q342-N344 VanDerWaalsContact C-N 3.31Å; Q342-N344 PolarHBondContact O-N 3.45Å; N344-S348 WeakPolarHBondContact O-CB 3.38Å; N344-S348 PolarHBondContact O-N 3.32Å; N344-S348 VanDerWaalsContact O-N 3.08Å; N344-S348 PolarHBondContact O-OG 3.38Å
345K60.9Low63.8Low136 Ų136106.6 Ų106.659%0.59154%0.537SS*.Hα-helixtrans-72.5-30.7176.6-163.4167.5-171.71680112.9K341 Q342 I343 S348 K349K341-K345 WeakPolarHBondContact O-CB 3.35Å; K341-K345 PolarHBondContact O-N 3.43Å; Q342-K345 PolarHBondContact O-N 3.15Å; Q342-K345 VanDerWaalsContact O-N 3.15Å; I343-K345 VanDerWaalsContact C-N 3.34Å; I343-K345 PolarHBondContact O-N 2.65Å; K345-S348 WeakPolarHBondContact CA-OG 3.49Å; K345-S348 PolarHBondContact O-OG 2.98Å; K345-S348 VanDerWaalsContact O-OG 3.12Å; K345-K349 WeakPolarHBondContact O-CG 3.11Å; K345-K349 PolarHBondContact O-N 3.11Å
346T61.3Low61.8Low91 Ų91110.6 Ų110.656%0.55855%0.552SS**Hα-helixtrans-76.3-3917451.40000111.9Q342 I343 K349 G350Q342-T346 PolarHBondContact O-N 3.09Å; Q342-T346 PolarHBondContact O-OG1 3.48Å; I343-T346 WeakPolarHBondContact CA-OG1 3.4Å; I343-T346 PolarHBondContact O-N 2.84Å; I343-T346 PolarHBondContact O-OG1 3.49Å; T346-K349 PolarHBondContact O-N 3.44Å; T346-G350 PolarHBondContact O-N 2.84Å; T346-G350 VanDerWaalsContact O-N 3.08Å
347N59.7Low60Low108 Ų108118.3 Ų118.358%0.57859%0.587SS**Hα-helixtrans-68-38.4178-76.3-4.9000112.6I343 G350 A351I343-N347 WeakPolarHBondContact O-CB 3.48Å; I343-N347 PolarHBondContact O-N 3.47Å; N347-G350 PolarHBondContact O-N 2.91Å; N347-A351 PolarHBondContact O-N 2.63Å; N347-A351 VanDerWaalsContact O-N 3.16Å
348S58.9Low58.3Low70 Ų70123.1 Ų123.149%0.4961%0.611SS.*Hα-helixtrans-66.3-35.7174.9460000113.2N344 K345 L352N344-S348 WeakPolarHBondContact O-CB 3.38Å; N344-S348 PolarHBondContact O-N 3.32Å; N344-S348 VanDerWaalsContact O-N 3.08Å; N344-S348 PolarHBondContact O-OG 3.38Å; K345-S348 WeakPolarHBondContact CA-OG 3.49Å; K345-S348 PolarHBondContact O-OG 2.98Å; K345-S348 VanDerWaalsContact O-OG 3.12Å; S348-L352 PolarHBondContact O-N 3.35Å
349K55.8Low56.8Low138 Ų138125.7 Ų125.760%0.664%0.636SS**Hα-helixtrans-72.5-27.6173.5-74.3-171.8175.2-168.30113.7K345 T346K345-K349 WeakPolarHBondContact O-CG 3.11Å; K345-K349 PolarHBondContact O-N 3.11Å; T346-K349 PolarHBondContact O-N 3.44Å
350G52.5Low55.7Low42 Ų42120.8 Ų120.843%0.43363%0.634SS.*Hα-helixtrans-70.5-36.7173.100000113.2T346 N347 R353 K354T346-G350 PolarHBondContact O-N 2.84Å; T346-G350 VanDerWaalsContact O-N 3.08Å; N347-G350 PolarHBondContact O-N 2.91Å; G350-R353 PolarHBondContact O-N 3.06Å; G350-K354 PolarHBondContact O-N 2.93Å
351A54.6Low54.5Low67 Ų67124.6 Ų124.655%0.55465%0.648SS**Hα-helixtrans-66.3-39.7176.800000112.6N347 R353 K354 S355N347-A351 PolarHBondContact O-N 2.63Å; N347-A351 VanDerWaalsContact O-N 3.16Å; A351-R353 VanDerWaalsContact C-N 3.34Å; A351-R353 PolarHBondContact O-N 3.18Å; A351-K354 PolarHBondContact O-N 3.5Å; A351-S355 PolarHBondContact O-N 2.94Å
352L49.8Very low53.2Low132 Ų132120.9 Ų120.969%0.69165%0.652SS**Hα-helixtrans-68.1-30179.3-17062.4000113.2S348S348-L352 PolarHBondContact O-N 3.35Å
353R51.6Low51.9Low207 Ų207122.9 Ų122.978%0.78168%0.676SS**Hα-helixtrans-74.1-29.4176-67.9-176.599.4177.95.8113G350 A351G350-R353 PolarHBondContact O-N 3.06Å; A351-R353 VanDerWaalsContact C-N 3.34Å; A351-R353 PolarHBondContact O-N 3.18Å
354K51.3Low50.5Low172 Ų172122.4 Ų122.475%0.74869%0.694SS**Hα-helixtrans-74-28174.7-109.3-178.7177.9-179.20113.2G350 A351G350-K354 PolarHBondContact O-N 2.93Å; A351-K354 PolarHBondContact O-N 3.5Å
355S51.1Low49Very low81 Ų81120.6 Ų120.657%0.56670%0.702SS**Hα-helixtrans-72.4-26.9175.4-177.30000113.3A351A351-S355 PolarHBondContact O-N 2.94Å
356R50.1Low48.1Very low224 Ų224118.9 Ų118.985%0.84571%0.713SS**Hα-helixtrans-89.3-11.6-174-146.9171.8173.9154.1-2.3114.2
357Q50.8Low46.7Very low174 Ų174126.3 Ų126.381%0.81373%0.731SS**THydrogen-bonded Turntrans-87.1-7171.4-81.5176.5-2300113.5
358N49.5Very low46Very low158 Ų158131.1 Ų131.185%0.84575%0.746SS**SBendtrans-107.88.1179.9-126.221.2000114.1
359A46Very low45.1Very low91 Ų91133.7 Ų133.775%0.75276%0.761SS**SBendtrans-120.244.2-179.400000111.6
360G46.6Very low43.9Very low67 Ų67130.7 Ų130.769%0.69177%0.77SS**SBendtrans-167.756.2-178.500000113.2
361K39.9Very low43.3Very low217 Ų217138.3 Ų138.394%0.94379%0.794SS**  trans-161.675.3159.6-115.2173.2-179-177.90109.7
362G36.6Very low42.3Very low70 Ų70139.6 Ų139.672%0.72281%0.805SS**  trans-102.2128.7160.900000109.2
363S36.6Very low41.7Very low130 Ų130141.1 Ų141.191%0.90981%0.814SS**  trans60.3113.2158.264.70000120.7
364G33.5Very low40.8Very low84 Ų84140.4 Ų140.487%0.86682%0.817SS**  trans148.7105.4148.300000114.4
365G31.6Very low40.2Very low74 Ų74139 Ų13976%0.76382%0.817SS**  trans11897.9158.100000115.7
366A43.4Very low39.6Very low99 Ų99143 Ų14382%0.81883%0.827SS**  trans-68.4121171.700000112.3
367W30.1Very low39.2Very low248 Ų248141.7 Ų141.794%0.93983%0.827SS**  trans-140.8113.3161.7-83.668.8000109
368K46.3Very low38.7Very low208 Ų208139.3 Ų139.390%0.90483%0.827SS**  trans-76.1145.3168.9-66.1-176.6175.2-176.20109.1
369P39Very low38.2Very low124 Ų124137.1 Ų137.181%0.80582%0.824SS**  trans-108.1130.5150.827.5-14.3000110.4
370G31.5Very low38Very low75 Ų75140.9 Ų140.977%0.77383%0.831SS**  trans-67.3164172.900000113.1
371Q40.3Very low37.7Very low202 Ų202145.4 Ų145.494%0.94484%0.838SS**  trans-53.8134.5172-68.3169.1-26.400111.8
372A32.3Very low37.7Very low95 Ų95140.6 Ų140.679%0.78583%0.832SS**  trans-143.3110.1150.200000108.3F374A372-F374 PolarHBondContact O-N 3.05Å
373N38.2Very low37.6Very low163 Ų163142.8 Ų142.887%0.87284%0.836SS**  trans-62.4122.2171.2-90-22.2000110
374F33.2Very low38Very low192 Ų192145.9 Ų145.984%0.84283%0.833SS**  trans-126.5111.3150.1-103-87.5000109.1A372A372-F374 PolarHBondContact O-N 3.05Å
375N37.8Very low38.5Very low143 Ų143151.4 Ų151.477%0.76583%0.833SS**  trans-87.6102.8-175.1-161.339.2000108.8
376H38.4Very low38.9Very low166 Ų166150.3 Ų150.377%0.76982%0.823SS**  trans-127111.5161.6-79.8-66.5000109.7
377K42.1Very low39.3Very low196 Ų196155.1 Ų155.185%0.85283%0.828SS**PPolyproline II helixtrans-59.5136.5168.6-67.7176.2176.5177.50110
378P39.4Very low40Very low124 Ų124152.1 Ų152.181%0.80583%0.827SS**PPolyproline II helixtrans-101.3129.3150.831.2-23000110.3
379S38.9Very low40.1Very low112 Ų112147 Ų14778%0.78382%0.823SS**PPolyproline II helixtrans-64.7149.9169.642.30000111.8I381S379-I381 PolarHBondContact O-N 2.81Å
380N43Very low40.9Very low169 Ų169147.7 Ų147.790%0.90482%0.82SS**PPolyproline II helixtrans-47.4121.8175.6-81.3-47.7000113.4
381I38.9Very low42.1Very low163 Ų163150 Ų15084%0.83682%0.821SS**  trans-135.7124.3154.7-115.1148000108.5S379 S383S379-I381 PolarHBondContact O-N 2.81Å; I381-S383 PolarHBondContact O-N 3.41Å
382S39.9Very low42.5Very low116 Ų116149.3 Ų149.381%0.81182%0.818SS**  trans-65.3125.5-170.256.90000111.6F384S382-F384 PolarHBondContact O-N 3.37Å
383S35.1Very low43.6Very low116 Ų116153.2 Ų153.281%0.81182%0.817SS**  trans-8090.917645.40000110.4I381 K385I381-S383 PolarHBondContact O-N 3.41Å; S383-K385 VanDerWaalsContact C-N 3.34Å; S383-K385 PolarHBondContact O-N 3.36Å
384F45.4Very low43.8Very low195 Ų195155.3 Ų155.386%0.85582%0.818SS**  trans-74.790162.6-174.9-101.4000109.2S382 G386S382-F384 PolarHBondContact O-N 3.37Å; F384-G386 PolarHBondContact O-N 3.13Å
385K43Very low44.1Very low199 Ų199152.5 Ų152.587%0.86581%0.812SS**  trans-8693.7174.2-159.9177-173.7-179.10108.6S383 E387S383-K385 VanDerWaalsContact C-N 3.34Å; S383-K385 PolarHBondContact O-N 3.36Å; K385-E387 PolarHBondContact O-N 3.49Å
386G40.1Very low44.3Very low52 Ų52155.7 Ų155.754%0.53682%0.819SS.*  trans-68.4113173.900000111.2F384 M388F384-G386 PolarHBondContact O-N 3.13Å; G386-M388 PolarHBondContact O-N 3.37Å
387E52.3Low44.4Very low199 Ų199157.1 Ų157.193%0.9382%0.823SS**PPolyproline II helixtrans-64.4125.3166.2-104.3-177.2148.900109.9K385 A389K385-E387 PolarHBondContact O-N 3.49Å; E387-A389 PolarHBondContact O-N 3.36Å
388M45Very low44Very low185 Ų185153.9 Ų153.991%0.91182%0.82SS**PPolyproline II helixtrans-71.4121.4173.5-69.1175.263.400109.8G386 N390G386-M388 PolarHBondContact O-N 3.37Å; M388-N390 PolarHBondContact O-N 3.45Å
389A49.1Very low43.8Very low100 Ų100156 Ų15683%0.82682%0.823SS**PPolyproline II helixtrans-70.3123.8177.800000111.8E387E387-A389 PolarHBondContact O-N 3.36Å
390N55.7Low43.6Very low140 Ų140160.2 Ų160.275%0.74983%0.827SS**PPolyproline II helixtrans-75.6124.7171-97.3-28000110.9M388 H392M388-N390 PolarHBondContact O-N 3.45Å; N390-H392 PolarHBondContact O-N 3.34Å
391P55.4Low43.3Very low122 Ų122161.8 Ų161.879%0.79283%0.826SS**THydrogen-bonded Turntrans-74.88.2-172.528.5-34.2000115.8
392H48.9Very low43.2Very low189 Ų189164 Ų16488%0.87583%0.829SS**THydrogen-bonded Turntrans-121.16.6-178.4-80.9-6.7000115.9N390 K394N390-H392 PolarHBondContact O-N 3.34Å; H392-K394 PolarHBondContact O-N 3.46Å
393K55Low42.8Very low176 Ų176165.9 Ų165.977%0.76583%0.831SS**  trans-93.6102.4176.3-130.6178.2-176-179.40111.2N395K393-N395 PolarHBondContact O-N 3.44Å
394K42.8Very low42.8Very low208 Ų208170.4 Ų170.490%0.90484%0.836SS**  trans-75.8105.7169.5-77.3-179.8179.3174.40109.6H392H392-K394 PolarHBondContact O-N 3.46Å
395N40.3Very low42.4Very low132 Ų132167.5 Ų167.571%0.70683%0.834SS**  trans-94.4110.1169.3-78.6-9.6000110.4K393 K397K393-N395 PolarHBondContact O-N 3.44Å; N395-K397 PolarHBondContact O-N 3Å
396K42.3Very low42.1Very low210 Ų210169.8 Ų169.891%0.91384%0.838SS**  trans-68.4112.1163.1-98.2179.2174177.10108.2
397K40Very low42Very low197 Ų197177.2 Ų177.286%0.85786%0.855SS**  trans-92.7110.8165.7-80.5-173.3176.4-179.80109.2N395N395-K397 PolarHBondContact O-N 3Å
398V34.4Very low41.3Very low128 Ų128174.3 Ų174.378%0.77685%0.851SS**  trans-77.7122.9166.1175.70000107.9K400V398-K400 PolarHBondContact O-N 2.91Å
399L35.3Very low41Very low168 Ų168174.5 Ų174.588%0.8885%0.849SS**  trans-79.7109.5177.2-133.780.7000108.9
400K34.3Very low40.4Very low200 Ų200181.6 Ų181.687%0.8786%0.855SS**  trans-83.7115.8167.4-81.5-171174.7-1770109.5V398V398-K400 PolarHBondContact O-N 2.91Å
401K36.3Very low39.7Very low203 Ų203181 Ų18188%0.88386%0.856SS**PPolyproline II helixtrans-62.5125.6169.4-109.8174.3174.2175.50109.5
402K35.8Very low38.7Very low208 Ų208179.4 Ų179.490%0.90485%0.847SS**PPolyproline II helixtrans-89.8118.4165.9-92.3-176.8172.6-178.90108.8
403N33.3Very low38.3Very low157 Ų157176.3 Ų176.384%0.8484%0.842SS**PPolyproline II helixtrans-72135169.8-82.8-10.8000110.2
404K35.2Very low37.5Very low210 Ų210181.3 Ų181.391%0.91386%0.864SS**  trans-100.4110.6178.6-162.7177.4-175-178.80108
405T36.3Very low37.2Very low135 Ų135180 Ų18083%0.82886%0.862SS**  trans-76.8128.717442.80000110.4
406R35.8Very low37Very low247 Ų247182.5 Ų182.593%0.93287%0.87SS**  trans-68.7133.4173.4-65.2168.995.8175.94.8109.1
407K39.3Very low36.8Very low208 Ų208181 Ų18190%0.90487%0.868SS**  trans-110.9133.1161.2-88.5-173.2175.1-177.40108.9
408T37.9Very low36.6Very low138 Ų138180.1 Ų180.185%0.84787%0.869SS**  trans-77.5153.4-173.342.10000112.5
409H37.3Very low36.7Very low189 Ų189183.3 Ų183.388%0.87587%0.874SS**  trans-61145.1172.4-81.7-94.5000112.3
410R36.5Very low36.8Very low249 Ų249184.3 Ų184.394%0.9487%0.874SS**  trans-133.5128151-166173.8177.1173.4-0.7109
411V41.9Very low37Very low126 Ų126183.2 Ų183.276%0.76487%0.874SS**  trans-78.3148.1-179.1174.60000110.3
412S33.5Very low37Very low89 Ų89181.7 Ų181.762%0.62287%0.874SS**  140.5123.9124.3-1610000115.7
413T40.1Very low37.1Very low125 Ų125179.5 Ų179.577%0.76787%0.871SS**  trans62.9117.8140.153.60000120.8
414K38.6Very low37.5Very low281 Ų281181.5 Ų181.5100%1.22287%0.874SS**  -150.2082.1-104-178.4179.4-179.70110.5

Retrieved 414 of 414 residues in 176.3 ms (Link to these results)