G4LVA8_SCHMA Loading...

RING finger protein 113A

AlphaFold DB , UniProt , Accession G4LVA8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 382 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.2Very low42.9Very low230 Ų230150 Ų150100%1.13382%0.819SS**  074.70-66.2165.9175.400105.3
2T38.1Very low42.9Very low117 Ų117153.6 Ų153.672%0.71882%0.821SS**  74.2120.994.353.30000110.3
3D39.1Very low43.1Very low141 Ų141157.3 Ų157.375%0.75483%0.825SS**  cis-158.1142.20.3-76.4-46.6000106.2
4N43Very low43.3Very low168 Ų168160.8 Ų160.890%0.89883%0.83SS**  trans-115.5108.8170.5-109.8-19.2000108.6
5V45.9Very low43.3Very low123 Ų123166.1 Ų166.175%0.74584%0.835SS**  trans-80.5116.1-180177.50000109E7V5-E7 PolarHBondContact O-N 3Å
6N42.7Very low43.2Very low158 Ų158163.2 Ų163.285%0.84584%0.836SS**  trans-75.3106.2170.1-81.5-26.9000109.8S8N6-S8 PolarHBondContact O-N 3.39Å
7E45.9Very low43.6Very low184 Ų184167.5 Ų167.586%0.8684%0.839SS**  trans-82.3102.1165.3-74-175.9164.600110V5V5-E7 PolarHBondContact O-N 3Å
8S45.6Very low43.9Very low104 Ų104169.2 Ų169.273%0.72784%0.84SS**  trans-83.7114.4170.858.40000110.6N6 V10N6-S8 PolarHBondContact O-N 3.39Å; S8-V10 PolarHBondContact O-N 3.06Å
9C45.7Very low43.9Very low113 Ų113168.8 Ų168.876%0.76484%0.842SS**  trans-72.7121.5170.7-69.70000111.6
10V45.3Very low44Very low115 Ų115168.2 Ų168.270%0.69784%0.84SS**  trans-86111.5176-175.50000109.7S8 F12S8-V10 PolarHBondContact O-N 3.06Å; V10-F12 PolarHBondContact O-N 3.15Å
11F40.9Very low43.9Very low197 Ų197170.1 Ų170.186%0.86484%0.837SS**  trans-78.7110.2173.5-78.7-85.5000111.1K13F11-K13 PolarHBondContact O-N 2.97Å
12F43.1Very low44.1Very low193 Ų193168.1 Ų168.185%0.84683%0.825SS**  trans-72.8108.8169.4-83.9-87.8000111.1V10 K14V10-F12 PolarHBondContact O-N 3.15Å; F12-K14 PolarHBondContact O-N 3.19Å; F12-K14 VanDerWaalsContact O-N 3.17Å
13K44.5Very low44.1Very low202 Ų202172.2 Ų172.288%0.87883%0.833SS**  trans-72.8100.5170.4-170171.7-177.1172.10109.6F11 R15F11-K13 PolarHBondContact O-N 2.97Å; K13-R15 PolarHBondContact O-N 2.74Å
14K46.2Very low44.2Very low206 Ų206174.6 Ų174.690%0.89684%0.839SS**PPolyproline II helixtrans-59.4118.5170-93-179.8175.91740109.6F12F12-K14 PolarHBondContact O-N 3.19Å; F12-K14 VanDerWaalsContact O-N 3.17Å
15R43.3Very low43.8Very low240 Ų240170.4 Ų170.491%0.90684%0.836SS**PPolyproline II helixtrans-66.4130.1171.7-75.7178.7173.4179-2.3109.7K13 R17K13-R15 PolarHBondContact O-N 2.74Å; R15-R17 PolarHBondContact O-N 2.8Å
16S42.2Very low43.2Very low120 Ų120170.1 Ų170.184%0.83984%0.84SS**PPolyproline II helixtrans-60.8121.8172.5-175.90000110.2
17R50.1Low42.8Very low236 Ų236168 Ų16889%0.89184%0.837SS**PPolyproline II helixtrans-70.6131.9173.6-76.8-176.6168169.3-3.8109.6R15R15-R17 PolarHBondContact O-N 2.8Å
18K48.5Very low42.3Very low198 Ų198164.7 Ų164.786%0.86183%0.834SS**PPolyproline II helixtrans-63.4145.4176.4-73.9176.1174.7178.20110.7I20K18-I20 PolarHBondContact O-N 3.36Å
19N43.1Very low42Very low163 Ų163168.1 Ų168.187%0.87284%0.839SS**PPolyproline II helixtrans-55.9125.8179.6-64.1-27.4000112
20I46.2Very low41.7Very low156 Ų156169.8 Ų169.880%0.884%0.84SS**PPolyproline II helixtrans-83.3123.2167.5-95.7161.8000108.2K18K18-I20 PolarHBondContact O-N 3.36Å
21R43.3Very low41.5Very low208 Ų208173.6 Ų173.679%0.78585%0.85SS**PPolyproline II helixtrans-80.7120.6168.2-91.6177164172.8-6.4108.2
22Q42.7Very low41.2Very low188 Ų188169 Ų16988%0.87985%0.849SS**PPolyproline II helixtrans-89.3132.1161.1-78.5-177.7-26.500108.8
23K38.9Very low41.2Very low204 Ų204165.9 Ų165.989%0.88785%0.845SS**  trans-106.6109.8-179.3-175-177.7-178-177.20106.6
24E41.3Very low41.1Very low190 Ų190162.1 Ų162.189%0.88883%0.834SS**  trans-84.2125.6166.5-69.8-165.9165.100108.6
25G34.2Very low41Very low80 Ų80161.4 Ų161.483%0.82583%0.831SS**  trans-82.1113.3175.100000109.9
26S34.7Very low41.1Very low118 Ų118156.1 Ų156.183%0.82583%0.825SS**  trans-145.9131.3147.1-166.20000109.8
27S32.7Very low41.2Very low114 Ų114159.4 Ų159.480%0.79783%0.827SS**  trans-43119.5-177.5177.80000115.9
28S36.7Very low40.8Very low114 Ų114158 Ų15880%0.79783%0.828SS**  161.1154.1125.953.80000109.9
29E38.4Very low40.8Very low176 Ų176160.3 Ų160.382%0.82283%0.831SS**  trans-78.4139.8-153.5-62.1166.116100112.7
30D39Very low41.1Very low148 Ų148164 Ų16479%0.79183%0.833SS**SBendtrans72.5127157-51.6-35.3000119.6
31E40.9Very low41.4Very low194 Ų194164.9 Ų164.991%0.90783%0.833SS**  trans85.588.4171.5-50.2-170172.400118.1
32A36Very low42Very low101 Ų101162.5 Ų162.584%0.83583%0.834SS**  trans-121.7108.2169.500000113.2
33V43.3Very low42.7Very low127 Ų127158.1 Ų158.177%0.7782%0.817SS**  trans-64.6132.6178.8175.40000112.5K35V33-K35 PolarHBondContact O-N 3.18Å
34I41.6Very low43.7Very low124 Ų124154.5 Ų154.564%0.63681%0.807SS**  trans-85.2103.6177.5-55.4170.5000109.7T36I34-T36 HydrophobicContact CG2-CG2 4.46Å
35K44.3Very low44.3Very low191 Ų191154.5 Ų154.583%0.8381%0.809SS**  trans-93.5115.3166.6-76.7-178.8178.6175.20110.5V33V33-K35 PolarHBondContact O-N 3.18Å
36T45.6Very low45.5Very low129 Ų129158.4 Ų158.479%0.79181%0.811SS**  trans-87.1113.2171.841.40000110.1I34I34-T36 HydrophobicContact CG2-CG2 4.46Å
37Q44.1Very low46.4Very low188 Ų188160.6 Ų160.688%0.87980%0.802SS**PPolyproline II helixtrans-84125.2170.5-72.3-175.1-13.800110.4R39Q37-R39 PolarHBondContact O-N 3.07Å
38K42.3Very low47.5Very low208 Ų208164.6 Ų164.690%0.90481%0.808SS**PPolyproline II helixtrans-67.4121.9174.4-74.3178.1177.5175.90109.8R40K38-R40 PolarHBondContact O-N 3.5Å
39R46.7Very low48.5Very low246 Ų246165.8 Ų165.893%0.92880%0.801SS**PPolyproline II helixtrans-67.5128.7171.2-84.3-174.5160.2-175.9-6.1110.3Q37Q37-R39 PolarHBondContact O-N 3.07Å
40R50.8Low49.7Very low241 Ų241164 Ų16491%0.90980%0.802SS**PPolyproline II helixtrans-67.4136.5172.4-68.3-179177.1-179.8-1.1109.8K38 I42K38-R40 PolarHBondContact O-N 3.5Å; R40-I42 PolarHBondContact O-N 2.95Å
41H52.3Low50.2Low173 Ų173162.1 Ų162.180%0.80180%0.801SS**  trans-69.9115.6-178.9-151.3-80.7000109N43H41-N43 PolarHBondContact O-N 3.33Å
42I56Low50.5Low159 Ų159162 Ų16282%0.81580%0.797SS**  trans-75.9113.5171.8-61.3171.3000106.3R40 N44R40-I42 PolarHBondContact O-N 2.95Å; I42-N44 PolarHBondContact O-N 3.49Å
43N57.1Low50.7Low95 Ų95167.5 Ų167.551%0.50880%0.803SS.*  trans-67.6131.6176.6-74.8-14.7000109.7H41H41-N43 PolarHBondContact O-N 3.33Å
44N60Low50.7Low128 Ų128167 Ų16768%0.68481%0.805SS**  trans-65.5132175-170.64.2000109.3I42 L46 Y47I42-N44 PolarHBondContact O-N 3.49Å; N44-L46 PolarHBondContact O-N 3.46Å; N44-Y47 PolarHBondContact O-N 2.9Å; N44-Y47 VanDerWaalsContact O-N 3.09Å
45M54Low51Low190 Ų190164.2 Ų164.294%0.93681%0.806SS**THydrogen-bonded Turntrans-63.6-3.8-172.1-163.8161.76700114.4Y47M45-Y47 VanDerWaalsContact C-N 3.33Å
46L58.1Low50.5Low163 Ų163162 Ų16285%0.85380%0.804SS**THydrogen-bonded Turntrans-87.95.1173.6-139.174000114N44N44-L46 PolarHBondContact O-N 3.46Å
47Y54.2Low50.5Low164 Ų164165 Ų16564%0.64381%0.806SS**  trans-108.7103.4178.5-138.9-90.2000110.2N44 M45 Q49N44-Y47 PolarHBondContact O-N 2.9Å; N44-Y47 VanDerWaalsContact O-N 3.09Å; M45-Y47 VanDerWaalsContact C-N 3.33Å; Y47-Q49 HydrophobicContact CD1-CG 4.21Å; Y47-Q49 PolarHBondContact O-N 3.48Å
48Q56Low49.9Very low197 Ų197163.2 Ų163.292%0.92180%0.802SS**  trans-71.6120.4168.8-78.3178.7-30.400109.1
49Q57.4Low49.6Very low139 Ų139159 Ų15965%0.6580%0.798SS**  trans-106.5136.6165.8-69.1-171.7-2700108.7Y47Y47-Q49 HydrophobicContact CD1-CG 4.21Å; Y47-Q49 PolarHBondContact O-N 3.48Å
50T62.7Low49.2Very low138 Ų138152.7 Ų152.785%0.84779%0.792SS**  trans-68135.5171.153.50000109.3K52T50-K52 PolarHBondContact O-N 3.4Å; T50-K52 VanDerWaalsContact O-N 3.13Å
51S49.9Very low48.4Very low110 Ų110145.6 Ų145.677%0.76978%0.779SS**SBendtrans-62.6115.7179.154.10000111.2
52K47.7Very low47.8Very low191 Ų191144.3 Ų144.383%0.8378%0.778SS**  trans71.489150.2-53.9178.7-177.31790117.1T50T50-K52 PolarHBondContact O-N 3.4Å; T50-K52 VanDerWaalsContact O-N 3.13Å
53F40.6Very low47.1Very low216 Ų216143.5 Ų143.595%0.94778%0.775SS**  trans-12179.1141-137.6-89.5000107.4G55F53-G55 PolarHBondContact O-N 3.37Å
54S43.9Very low46.4Very low117 Ų117145.8 Ų145.882%0.81879%0.787SS**  trans-7777.1179.255.60000110.1N56S54-N56 PolarHBondContact O-N 3.06Å
55G46.7Very low45.6Very low65 Ų65144.6 Ų144.667%0.6779%0.789SS**  trans-77.9101.8166.500000109.8F53 K57F53-G55 PolarHBondContact O-N 3.37Å; G55-K57 PolarHBondContact O-N 2.95Å
56N34.7Very low44.9Very low146 Ų146143.4 Ų143.478%0.78179%0.787SS**  trans-60.3113.4177.8-162.719.8000110.7S54S54-N56 PolarHBondContact O-N 3.06Å
57K44.3Very low44.4Very low190 Ų190144.9 Ų144.983%0.82679%0.786SS**  trans-135.993.1166.5-91.6-175.2178.1174.50111.2G55G55-K57 PolarHBondContact O-N 2.95Å
58N33.1Very low43.6Very low151 Ų151146.4 Ų146.481%0.80780%0.797SS**  trans-64.5122.1149.8-77.1-16.5000108.5
59C35.6Very low42.9Very low119 Ų119143.8 Ų143.880%0.80479%0.789SS**  trans-163.4126.5139.650.70000110.5
60S37.4Very low42.2Very low115 Ų115144.1 Ų144.180%0.80480%0.795SS**  trans-64.5152.8176.5-167.30000111.1
61S34.3Very low41.3Very low92 Ų92143.6 Ų143.664%0.64379%0.792SS**  trans-27.7129.3155.8-172.20000112.2
62D40.7Very low41.3Very low146 Ų146143.8 Ų143.878%0.78179%0.788SS**  177.4159.2115.5-76.2-22.3000111
63D39.9Very low41.6Very low141 Ų141139.9 Ų139.975%0.75478%0.783SS**  trans-46.8158.5-164.4-81.9-53.6000120.5
64D42.5Very low42.2Very low143 Ų143137.3 Ų137.377%0.76578%0.779SS**  trans79.4123.6143.1-74.4-38.1000122.5
65S43.3Very low43.4Very low104 Ų104136.9 Ų136.973%0.72777%0.771SS**  trans81.5107.6141.870.80000120.7
66D39Very low44.9Very low164 Ų164138.7 Ų138.788%0.87777%0.769SS**  trans30.496.7133.8-60.9-31.9000119.2
67K47.4Very low47.3Very low194 Ų194136.5 Ų136.584%0.84376%0.761SS**  trans-157.5111.8144.8-126.7172.9-177.7177.30112D69K67-D69 PolarHBondContact O-N 3.25Å
68F38.7Very low49.3Very low197 Ų197137.6 Ų137.686%0.86476%0.762SS**  trans-68.5111.9167.4-105.8-97.3000109.1
69D41.5Very low51.9Low141 Ų141139.2 Ų139.275%0.75476%0.762SS**  trans-123.4114.2162.7-98.9-33.6000110.3K67 T71K67-D69 PolarHBondContact O-N 3.25Å; D69-T71 VanDerWaalsContact C-N 3.29Å; D69-T71 PolarHBondContact O-N 3.34Å
70N41.6Very low54.3Low146 Ų146135.4 Ų135.478%0.78174%0.738SS**  trans-74.562-174.3-77.5-39.4000113
71T45.2Very low56.6Low127 Ų127134.3 Ų134.378%0.77973%0.731SS**  trans-146.267.8175.8-35.50000112.5D69D69-T71 VanDerWaalsContact C-N 3.29Å; D69-T71 PolarHBondContact O-N 3.34Å
72T49.8Very low58.9Low114 Ų114137.9 Ų137.970%0.69974%0.737SS**SBendtrans-132134.7162.853.70000108.3N74T72-N74 PolarHBondContact O-N 3.39Å
73P53.4Low61.1Low110 Ų110134.1 Ų134.171%0.71472%0.722SS**  trans-58.4128.918025.4-32.7000107.7T75P73-T75 PolarHBondContact O-N 2.89Å; P73-T75 PolarHBondContact O-OG1 2.95Å; P73-T75 VanDerWaalsContact O-OG1 3.11Å
74N53.2Low63.2Low162 Ų162137.8 Ų137.887%0.86673%0.731SS**  trans-51.180.5178.3-87.49.6000110.8T72 V76T72-N74 PolarHBondContact O-N 3.39Å; N74-V76 PolarHBondContact O-N 3.39Å; N74-V76 VanDerWaalsContact O-N 3.13Å
75T69.2Low65.1Low107 Ų107138.6 Ų138.666%0.65673%0.731SS**  trans-81.996173-58.20000104.3P73 T77P73-T75 PolarHBondContact O-N 2.89Å; P73-T75 PolarHBondContact O-OG1 2.95Å; P73-T75 VanDerWaalsContact O-OG1 3.11Å; T75-T77 VanDerWaalsContact C-N 3.28Å; T75-T77 HydrophobicContact CG2-CG2 4.15Å; T75-T77 PolarHBondContact O-N 3.16Å
76V78.8Confident66.6Low103 Ų103137.7 Ų137.762%0.62473%0.725SS**  trans-68.992.5176.3-178.80000107.6N74 Y78N74-V76 PolarHBondContact O-N 3.39Å; N74-V76 VanDerWaalsContact O-N 3.13Å; V76-Y78 HydrophobicContact CG1-CE1 4.43Å; V76-Y78 HydrophobicContact CG1-CE2 4.2Å; V76-Y78 PolarHBondContact O-N 3.37Å
77T83.8Confident68.5Low101 Ų101140 Ų14062%0.6272%0.721SS**  trans-79.4114.7169.257.70000108.4T75 K79T75-T77 VanDerWaalsContact C-N 3.28Å; T75-T77 HydrophobicContact CG2-CG2 4.15Å; T75-T77 PolarHBondContact O-N 3.16Å; T77-K79 PolarHBondContact O-N 3.08Å
78Y87Confident69.7Low213 Ų213135.6 Ų135.684%0.83571%0.706SS**  trans-72.7107.3170-67.7-84000109.2V76 A80V76-Y78 HydrophobicContact CG1-CE1 4.43Å; V76-Y78 HydrophobicContact CG1-CE2 4.2Å; V76-Y78 PolarHBondContact O-N 3.37Å; Y78-A80 PolarHBondContact O-N 2.87Å
79K86.6Confident71.4Confident185 Ų185129.5 Ų129.580%0.80469%0.685SS**  trans-70.4129.1172.1-65.5-177.6-179.61780108.6T77T77-K79 PolarHBondContact O-N 3.08Å
80A87.3Confident72.7Confident38 Ų38130.6 Ų130.631%0.31468%0.683SS.*  trans-65.1151.3172.500000110.1Y78 H82Y78-A80 PolarHBondContact O-N 2.87Å; A80-H82 PolarHBondContact O-CD2 3.32Å; A80-H82 PolarHBondContact O-N 3.22Å; A80-H82 VanDerWaalsContact O-N 3.12Å
81S86.4Confident74.1Confident93 Ų93130.8 Ų130.865%0.6568%0.679SS**  trans-65.4-11.1176.455.10000113.9S83S81-S83 PolarHBondContact O-N 3.04Å; S81-S83 PolarHBondContact OG-OG 3.23Å; S81-S83 VanDerWaalsContact OG-OG 3.13Å
82H82.6Confident75.4Confident167 Ų167131.3 Ų131.377%0.77367%0.672SS**  trans5121-176.2-66.8-80.9000114.8A80A80-H82 PolarHBondContact O-CD2 3.32Å; A80-H82 PolarHBondContact O-N 3.22Å; A80-H82 VanDerWaalsContact O-N 3.12Å
83S86.3Confident76.7Confident67 Ų67130 Ų13047%0.46966%0.66SS.*  trans-75.7141.4173.355.70000110.5S81S81-S83 PolarHBondContact O-N 3.04Å; S81-S83 PolarHBondContact OG-OG 3.23Å; S81-S83 VanDerWaalsContact OG-OG 3.13Å
84K83.9Confident78.1Confident217 Ų217130 Ų13094%0.94367%0.67SS**  trans-78.5-8.8172.8-68-179.9-178.5174.60112.9
85E82.1Confident79.7Confident160 Ų160127 Ų12775%0.74866%0.658SS**SBendtrans-68.4134.1179.3-66.9174.9179.400110.4
86S75.5Confident80.5Confident86 Ų86123.9 Ų123.960%0.60164%0.642SS**  trans-64.2141.9174.3-175.30000110I88S86-I88 PolarHBondContact O-N 2.97Å; S86-I88 VanDerWaalsContact O-N 3.17Å; S86-I88 WeakPolarHBondContact OG-CD1 3.45Å; S86-I88 VanDerWaalsContact OG-CG1 3.27Å; S86-I88 WeakPolarHBondContact OG-CG1 3.46Å
87R78.2Confident80.9Confident211 Ų211122.8 Ų122.880%0.79664%0.636SS**  trans-73.72.5177-68.9-176.7179.1170-1113.9T89R87-T89 PolarHBondContact O-N 3.48Å
88I72.3Confident81.1Confident103 Ų103121.1 Ų121.153%0.52863%0.625SS.*  trans-65.1102.4179.5-63.1169000108.1S86 H92 I93S86-I88 PolarHBondContact O-N 2.97Å; S86-I88 VanDerWaalsContact O-N 3.17Å; S86-I88 WeakPolarHBondContact OG-CD1 3.45Å; S86-I88 VanDerWaalsContact OG-CG1 3.27Å; S86-I88 WeakPolarHBondContact OG-CG1 3.46Å; I88-H92 HydrophobicContact CG2-CB 3.76Å; I88-I93 HydrophobicContact CG2-CD1 4.21Å; I88-I93 HydrophobicContact CG2-CG1 4Å
89T74.5Confident81.1Confident69 Ų69117.9 Ų117.942%0.42362%0.618SS.*  trans-74.6167.7171.557.60000110.2R87 E91 H92R87-T89 PolarHBondContact O-N 3.48Å; T89-E91 PolarHBondContact O-N 2.99Å; T89-H92 PolarHBondContact O-N 2.95Å; T89-H92 VanDerWaalsContact O-N 3.11Å; T89-H92 PolarHBondContact OG1-CD2 3.49Å
90K69.6Low81.2Confident164 Ų164115.2 Ų115.271%0.71362%0.617SS**G310 helixtrans-55.7-22.5179-66.8177.7-178.8174.80113.6H92 I93K90-H92 PolarHBondContact O-N 2.92Å; K90-I93 PolarHBondContact O-N 2.95Å
91E70Confident81.4Confident150 Ų150118 Ų11870%0.70163%0.626SS**G310 helixtrans-64.3-23.8179-63.5170.3-167.300113.5T89 A96T89-E91 PolarHBondContact O-N 2.99Å; E91-A96 WeakPolarHBondContact O-CB 3.32Å
92H72.2Confident81.7Confident138 Ų138118.1 Ų118.164%0.63962%0.623SS**G310 helixtrans-97.97.9-177.8-62.7-64.1000113.4I88 T89 K90I88-H92 HydrophobicContact CG2-CB 3.76Å; T89-H92 PolarHBondContact O-N 2.95Å; T89-H92 VanDerWaalsContact O-N 3.11Å; T89-H92 PolarHBondContact OG1-CD2 3.49Å; K90-H92 PolarHBondContact O-N 2.92Å
93I77.4Confident82.2Confident85 Ų85115.4 Ų115.444%0.43661%0.614SS.*SBendtrans-115.7162-171.7-57.5176.2000109.2I88 K90 T95 A96I88-I93 HydrophobicContact CG2-CD1 4.21Å; I88-I93 HydrophobicContact CG2-CG1 4Å; K90-I93 PolarHBondContact O-N 2.95Å; I93-T95 PolarHBondContact O-N 3.16Å; I93-A96 WeakPolarHBondContact O-CB 3.15Å; I93-A96 PolarHBondContact O-N 3.42Å
94A84.2Confident82.4Confident112 Ų112116.4 Ų116.493%0.92662%0.618SS**THydrogen-bonded Turntrans-55.1-12.1174.800000115.1
95T85.6Confident82.7Confident99 Ų99114.1 Ų114.161%0.60761%0.608SS**THydrogen-bonded Turntrans-102.519.8176.159.70000113I93 T97I93-T95 PolarHBondContact O-N 3.16Å; T95-T97 PolarHBondContact O-N 2.93Å
96A85.6Confident83.1Confident41 Ų41110.3 Ų110.334%0.33960%0.598SS.*  trans-59.8128.7174.600000110.3E91 I93E91-A96 WeakPolarHBondContact O-CB 3.32Å; I93-A96 WeakPolarHBondContact O-CB 3.15Å; I93-A96 PolarHBondContact O-N 3.42Å
97T87.7Confident83.9Confident79 Ų79106.6 Ų106.649%0.48557%0.571SS.*  trans-102.1137.2177.138.20000110T95 E99 A162T95-T97 PolarHBondContact O-N 2.93Å; T97-E99 PolarHBondContact O-N 2.92Å; T97-E99 PolarHBondContact OG1-OE1 3.13Å; T97-A162 WeakPolarHBondContact CA-O 3.27Å
98V87.3Confident84.5Confident66 Ų6698 Ų9840%0.455%0.546SS..  trans-80.5107.6173.2-179.70000108.7V100 A162V98-V100 HydrophobicContact CG1-CB 4.29Å; V98-V100 HydrophobicContact CG1-CG2 3.98Å; V98-A162 PolarHBondContact N-O 2.88Å
99E87.4Confident85.3Confident145 Ų14594.5 Ų94.568%0.67853%0.527SS*.  trans-110.232.4-176.9-64.3175.2-166.800111.8T97T97-E99 PolarHBondContact O-N 2.92Å; T97-E99 PolarHBondContact OG1-OE1 3.13Å
100V89.9Confident86.1Confident129 Ų12991.6 Ų91.678%0.78251%0.51SS*.SBendtrans-77.6-33.9177.2-179.60000111.3V98V98-V100 HydrophobicContact CG1-CB 4.29Å; V98-V100 HydrophobicContact CG1-CG2 3.98Å
101D91Very high87.1Confident97 Ų9787 Ų8752%0.51949%0.493SS..SBendtrans-88.9175.4-179.9-67.8-35.8000112.4D103 A160D101-D103 PolarHBondContact O-N 3.11Å; D101-A160 WeakPolarHBondContact OD2-CB 3.31Å
102T92.5Very high88Confident95 Ų9581.6 Ų81.658%0.58347%0.467SS*.  trans-58.6136.8175.555.40000111.9
103D92.1Very high88.7Confident110 Ų11077.8 Ų77.859%0.58845%0.449SS*.  trans-47.6143.1175.8-73.8-26.7000113.3D101 K105 C106 D107D101-D103 PolarHBondContact O-N 3.11Å; D103-K105 PolarHBondContact O-N 2.86Å; D103-C106 PolarHBondContact O-N 2.6Å; D103-D107 PolarHBondContact O-N 3.18Å
104V90.6Very high89.3Confident89 Ų8978.9 Ų78.954%0.53945%0.451SS..THydrogen-bonded Turntrans-51.7-29.8-177.3-177.80000113.4A110 R159V104-A110 VanDerWaalsContact O-CB 3.22Å; V104-A110 WeakPolarHBondContact O-CB 3.44Å; V104-R159 PolarHBondContact O-NH2 3.17Å
105K91Very high89.5Confident168 Ų16874 Ų7473%0.7341%0.41SS*.THydrogen-bonded Turntrans-80.7-23.6-178.9-64.3179.9-177.9173.60114D103 A110 K114D103-K105 PolarHBondContact O-N 2.86Å; K105-A110 WeakPolarHBondContact O-CB 3.17Å; K105-K114 PolarHBondContact O-NZ 2.97Å
106C90.6Very high89.4Confident81 Ų8171.9 Ų71.955%0.54739%0.394SS..THydrogen-bonded Turntrans-113.4-13-170.9-63.40000112.7D103 I111D103-C106 PolarHBondContact O-N 2.6Å; C106-I111 WeakPolarHBondContact O-CD1 3.5Å
107D92.2Very high89.6Confident7 Ų776 Ų764%0.03740%0.404CS..SBendtrans-54.9152173.4174.423.6000112.7D103 Q109 A110 I111 R159D103-D107 PolarHBondContact O-N 3.18Å; D107-Q109 PolarHBondContact O-N 3.4Å; D107-Q109 VanDerWaalsContact O-N 3.16Å; D107-A110 WeakPolarHBondContact O-CB 3.26Å; D107-A110 PolarHBondContact O-N 3.08Å; D107-I111 WeakPolarHBondContact O-CG1 3.41Å; D107-I111 PolarHBondContact O-N 3.04Å; D107-R159 VanDerWaalsContact OD2-CB 3.3Å; D107-R159 WeakPolarHBondContact OD2-CB 3.46Å; D107-R159 IonicContact OD2-CZ 3.67Å; D107-R159 IonicContact OD2-NE 3.68Å; D107-R159 PolarHBondContact OD2-NE 2.63Å; D107-R159 IonicContact OD2-NH2 2.84Å
108A91.1Very high89.6Confident32 Ų3274.7 Ų74.726%0.26439%0.393SS..Hα-helixtrans-52.8-34.2177.100000112.7I111 F112 P157A108-I111 PolarHBondContact O-N 3.36Å; A108-F112 WeakPolarHBondContact O-CB 3.42Å; A108-F112 PolarHBondContact O-N 3.47Å; A108-P157 HydrophobicContact CB-CB 4.31Å; A108-P157 HydrophobicContact CB-CG 4.35Å
109Q89Confident89.3Confident28 Ų2873.3 Ų73.313%0.13138%0.384CS..Hα-helixtrans-63.4-45.7173.3-175.3176.9-17.500112D107 I111 F112 E113 S149D107-Q109 PolarHBondContact O-N 3.4Å; D107-Q109 VanDerWaalsContact O-N 3.16Å; Q109-I111 VanDerWaalsContact C-N 3.33Å; Q109-I111 PolarHBondContact O-N 3.03Å; Q109-F112 WeakPolarHBondContact O-CB 3.38Å; Q109-F112 PolarHBondContact O-N 3.49Å; Q109-E113 WeakPolarHBondContact CG-OE1 3.43Å; Q109-E113 PolarHBondContact NE2-OE1 3.13Å; Q109-E113 WeakPolarHBondContact O-CG 3.2Å; Q109-E113 PolarHBondContact O-N 2.84Å; Q109-S149 PolarHBondContact NE2-O 2.96Å
110A90.7Very high89.1Confident8 Ų872.8 Ų72.87%0.06638%0.382CS..Hα-helixtrans-68.2-35179.300000111.9V104 K105 D107 F112 K114V104-A110 VanDerWaalsContact O-CB 3.22Å; V104-A110 WeakPolarHBondContact O-CB 3.44Å; K105-A110 WeakPolarHBondContact O-CB 3.17Å; D107-A110 WeakPolarHBondContact O-CB 3.26Å; D107-A110 PolarHBondContact O-N 3.08Å; A110-F112 VanDerWaalsContact C-N 3.34Å; A110-K114 WeakPolarHBondContact O-CB 3.34Å; A110-K114 WeakPolarHBondContact O-CD 3.19Å; A110-K114 WeakPolarHBondContact O-CG 3.11Å; A110-K114 PolarHBondContact O-N 2.69Å
111I90.7Very high88.8Confident69 Ų6974 Ų7435%0.35438%0.378SS..Hα-helixtrans-63.2-42.2172.9-64.1170.6000110.6C106 D107 A108 Q109 K114 A115 N132C106-I111 WeakPolarHBondContact O-CD1 3.5Å; D107-I111 WeakPolarHBondContact O-CG1 3.41Å; D107-I111 PolarHBondContact O-N 3.04Å; A108-I111 PolarHBondContact O-N 3.36Å; Q109-I111 VanDerWaalsContact C-N 3.33Å; Q109-I111 PolarHBondContact O-N 3.03Å; I111-K114 PolarHBondContact O-N 3.46Å; I111-A115 WeakPolarHBondContact O-CB 3.49Å; I111-A115 PolarHBondContact O-N 3.33Å; I111-N132 WeakPolarHBondContact CG2-ND2 3.44Å
112F88.5Confident87.8Confident36 Ų3671.8 Ų71.816%0.15837%0.371CS..Hα-helixtrans-64.7-45.8177.3179.9-98.8000112.2A108 Q109 A110 K114 A115 Q116 K140 A148 R154A108-F112 WeakPolarHBondContact O-CB 3.42Å; A108-F112 PolarHBondContact O-N 3.47Å; Q109-F112 WeakPolarHBondContact O-CB 3.38Å; Q109-F112 PolarHBondContact O-N 3.49Å; A110-F112 VanDerWaalsContact C-N 3.34Å; F112-K114 VanDerWaalsContact C-N 3.31Å; F112-K114 PolarHBondContact O-N 3.03Å; F112-A115 WeakPolarHBondContact O-CB 3.4Å; F112-A115 PolarHBondContact O-N 2.78Å; F112-A115 VanDerWaalsContact O-N 3.16Å; F112-Q116 PolarHBondContact O-N 3.15Å; F112-K140 HydrophobicContact CE2-CD 3.95Å; F112-K140 HydrophobicContact CZ-CB 4.37Å; F112-K140 HydrophobicContact CZ-CD 4.05Å; F112-A148 HydrophobicContact CE1-CB 4.26Å; F112-A148 VanDerWaalsContact CE1-O 3.29Å; F112-A148 WeakPolarHBondContact CE1-O 3.05Å; F112-R154 HydrophobicContact CD1-CG 4.39Å; F112-R154 HydrophobicContact CG-CG 4.38Å
113E88Confident86.6Confident57 Ų5775.9 Ų75.927%0.26638%0.383SS..Hα-helixtrans-60-41.3175.2-73.4169.5-167.500111.7Q109 Q116 K117 S149Q109-E113 WeakPolarHBondContact CG-OE1 3.43Å; Q109-E113 PolarHBondContact NE2-OE1 3.13Å; Q109-E113 WeakPolarHBondContact O-CG 3.2Å; Q109-E113 PolarHBondContact O-N 2.84Å; E113-Q116 PolarHBondContact O-N 3.12Å; E113-K117 WeakPolarHBondContact O-CG 3.45Å; E113-K117 PolarHBondContact O-N 3.34Å; E113-K117 VanDerWaalsContact O-N 3.08Å; E113-S149 VanDerWaalsContact CG-OG 3.27Å; E113-S149 WeakPolarHBondContact CG-OG 3.38Å
114K89.6Confident85.5Confident108 Ų10876 Ų7647%0.4738%0.384SS..Hα-helixtrans-62-45.1173.5-74.9166.7-179.5170.20111.3K105 A110 I111 F112 Q116 K117 I118K105-K114 PolarHBondContact O-NZ 2.97Å; A110-K114 WeakPolarHBondContact O-CB 3.34Å; A110-K114 WeakPolarHBondContact O-CD 3.19Å; A110-K114 WeakPolarHBondContact O-CG 3.11Å; A110-K114 PolarHBondContact O-N 2.69Å; I111-K114 PolarHBondContact O-N 3.46Å; F112-K114 VanDerWaalsContact C-N 3.31Å; F112-K114 PolarHBondContact O-N 3.03Å; K114-Q116 PolarHBondContact O-N 2.64Å; K114-K117 PolarHBondContact O-N 3.12Å; K114-I118 WeakPolarHBondContact O-CB 3.19Å; K114-I118 WeakPolarHBondContact O-CD1 3.48Å; K114-I118 WeakPolarHBondContact O-CG1 3.41Å; K114-I118 PolarHBondContact O-N 2.97Å
115A88Confident84.6Confident9 Ų981.8 Ų81.87%0.07440%0.396CS..Hα-helixtrans-62.8-41.2178.900000112.3I111 F112 I118 N119 N133I111-A115 WeakPolarHBondContact O-CB 3.49Å; I111-A115 PolarHBondContact O-N 3.33Å; F112-A115 WeakPolarHBondContact O-CB 3.4Å; F112-A115 PolarHBondContact O-N 2.78Å; F112-A115 VanDerWaalsContact O-N 3.16Å; A115-I118 PolarHBondContact O-N 3.27Å; A115-N119 WeakPolarHBondContact O-CB 3.4Å; A115-N119 VanDerWaalsContact O-CG 3.27Å; A115-N119 PolarHBondContact O-N 3.34Å; A115-N119 PolarHBondContact O-ND2 2.99Å; A115-N133 WeakPolarHBondContact CA-OD1 3.49Å; A115-N133 WeakPolarHBondContact CB-OD1 3.21Å
116Q85Confident84Confident56 Ų5681.7 Ų81.726%0.26240%0.403SS..Hα-helixtrans-62.5-46.5176.6-168.5-17923.700111.6F112 E113 K114 N119 Q120F112-Q116 PolarHBondContact O-N 3.15Å; E113-Q116 PolarHBondContact O-N 3.12Å; K114-Q116 PolarHBondContact O-N 2.64Å; Q116-N119 PolarHBondContact O-N 2.74Å; Q116-Q120 WeakPolarHBondContact O-CG 3.5Å; Q116-Q120 PolarHBondContact O-N 2.91Å
117K87.9Confident83.7Confident127 Ų12783.1 Ų83.155%0.55240%0.404SS*.Hα-helixtrans-59.6-46.9175.7-71.7175.2-178.7-178.50111.8E113 K114 N119 Q120 E121E113-K117 WeakPolarHBondContact O-CG 3.45Å; E113-K117 PolarHBondContact O-N 3.34Å; E113-K117 VanDerWaalsContact O-N 3.08Å; K114-K117 PolarHBondContact O-N 3.12Å; K117-N119 VanDerWaalsContact C-N 3.32Å; K117-N119 PolarHBondContact O-N 3.33Å; K117-Q120 PolarHBondContact O-N 3.14Å; K117-E121 WeakPolarHBondContact O-CG 3.27Å; K117-E121 PolarHBondContact O-N 2.97Å; K117-E121 VanDerWaalsContact O-N 3.07Å
118I87.6Confident83.5Confident51 Ų5189.8 Ų89.826%0.26243%0.43SS..Hα-helixtrans-62.3-39.4179.7-70.6167.2000111.7K114 A115 S122 K129 N133K114-I118 WeakPolarHBondContact O-CB 3.19Å; K114-I118 WeakPolarHBondContact O-CD1 3.48Å; K114-I118 WeakPolarHBondContact O-CG1 3.41Å; K114-I118 PolarHBondContact O-N 2.97Å; A115-I118 PolarHBondContact O-N 3.27Å; I118-S122 VanDerWaalsContact O-CB 3.26Å; I118-S122 WeakPolarHBondContact O-CB 3.48Å; I118-S122 PolarHBondContact O-N 2.95Å; I118-K129 HydrophobicContact CG2-CB 4.17Å; I118-K129 HydrophobicContact CG2-CD 3.66Å; I118-K129 HydrophobicContact CG2-CG 4.44Å; I118-N133 VanDerWaalsContact CD1-ND2 3.31Å; I118-N133 WeakPolarHBondContact CD1-ND2 3.29Å; I118-N133 HydrophobicContact CG2-CB 4.17Å
119N82.9Confident83.1Confident37 Ų3791.7 Ų91.720%0.19843%0.433CS..Hα-helixtrans-67.6-39.8177.7-74.8-20.6000111.9A115 Q116 K117 S122A115-N119 WeakPolarHBondContact O-CB 3.4Å; A115-N119 VanDerWaalsContact O-CG 3.27Å; A115-N119 PolarHBondContact O-N 3.34Å; A115-N119 PolarHBondContact O-ND2 2.99Å; Q116-N119 PolarHBondContact O-N 2.74Å; K117-N119 VanDerWaalsContact C-N 3.32Å; K117-N119 PolarHBondContact O-N 3.33Å; N119-S122 PolarHBondContact O-N 3.38Å; N119-S122 PolarHBondContact O-OG 3.35Å
120Q82.1Confident83Confident135 Ų13591.5 Ų91.563%0.63144%0.438SS*.Hα-helixtrans-63.8-39.6175.7-72.6173.1-300112.7Q116 K117 S122Q116-Q120 WeakPolarHBondContact O-CG 3.5Å; Q116-Q120 PolarHBondContact O-N 2.91Å; K117-Q120 PolarHBondContact O-N 3.14Å; Q120-S122 VanDerWaalsContact C-N 3.32Å; Q120-S122 PolarHBondContact O-N 3.33Å
121E83.9Confident82.9Confident153 Ų15397 Ų9772%0.71547%0.466SS*.Hα-helixtrans-79.8-12.3-179.3-68.1171.6-175.500113.3K117 Q123K117-E121 WeakPolarHBondContact O-CG 3.27Å; K117-E121 PolarHBondContact O-N 2.97Å; K117-E121 VanDerWaalsContact O-N 3.07Å; E121-Q123 PolarHBondContact O-N 2.82Å
122S70Confident82.6Confident51 Ų5197.8 Ų97.836%0.35747%0.47SS..  trans-7896.9-167.866.60000114.4I118 N119 Q120I118-S122 VanDerWaalsContact O-CB 3.26Å; I118-S122 WeakPolarHBondContact O-CB 3.48Å; I118-S122 PolarHBondContact O-N 2.95Å; N119-S122 PolarHBondContact O-N 3.38Å; N119-S122 PolarHBondContact O-OG 3.35Å; Q120-S122 VanDerWaalsContact C-N 3.32Å; Q120-S122 PolarHBondContact O-N 3.33Å
123Q67.5Low82.4Confident182 Ų18297.3 Ų97.385%0.8547%0.47SS*.  trans-85.9-32165.1-62.5-158.3-700113E121E121-Q123 PolarHBondContact O-N 2.82Å
124N69.6Low82.1Confident111 Ų111101.4 Ų101.459%0.59448%0.483SS*.  trans-95.5114.9-176.2-69.9-17.3000112.3
125R70.7Confident81.3Confident211 Ų21199.4 Ų99.480%0.79649%0.487SS*.SBendtrans-83.2-17.8-177.8-62.1-176.6-176.1172.61.9114.9
126N78Confident80.6Confident166 Ų166103.4 Ų103.489%0.88850%0.504SS*.SBendtrans-92.80.9-168.6-64.7-5000114.5
127I85.2Confident80.1Confident111 Ų111110 Ų11057%0.56953%0.528SS*.SBendtrans-105126.2178.1-59.2171.5000108K129I127-K129 PolarHBondContact O-N 2.95Å
128Y87Confident79.7Confident148 Ų148110.6 Ų110.658%0.5854%0.536SS*.  trans-67.1125174177.3-112.1000110.5G130 L131 Y134Y128-G130 VanDerWaalsContact CZ-C 3.42Å; Y128-G130 VanDerWaalsContact CZ-CA 3.41Å; Y128-G130 VanDerWaalsContact OH-C 3.28Å; Y128-L131 WeakPolarHBondContact OH-CA 3.22Å; Y128-L131 PolarHBondContact OH-N 3.48Å; Y128-Y134 HydrophobicContact CD2-CE1 4.24Å; Y128-Y134 HydrophobicContact CE2-CE1 4.12Å; Y128-Y134 AromaticContact CE2-CZ 3.8Å; Y128-Y134 WeakPolarHBondContact CE2-OH 3.3Å
129K82.8Confident79Confident72 Ų72114.5 Ų114.531%0.31355%0.553SS.*  trans-110.713.9-175.4-68.3179.3176.8-170.10113.6I118 I127 N133I118-K129 HydrophobicContact CG2-CB 4.17Å; I118-K129 HydrophobicContact CG2-CD 3.66Å; I118-K129 HydrophobicContact CG2-CG 4.44Å; I127-K129 PolarHBondContact O-N 2.95Å; K129-N133 HydrophobicContact CB-CB 3.72Å; K129-N133 PolarHBondContact O-ND2 2.93Å
130G87.2Confident78.6Confident23 Ų23118.6 Ų118.624%0.23757%0.569CS.*  trans102.1164.5-175.500000113Y128 N132 N133Y128-G130 VanDerWaalsContact CZ-C 3.42Å; Y128-G130 VanDerWaalsContact CZ-CA 3.41Å; Y128-G130 VanDerWaalsContact OH-C 3.28Å; G130-N132 PolarHBondContact O-N 3.34Å; G130-N133 PolarHBondContact O-N 3.27Å; G130-N133 VanDerWaalsContact O-N 3.15Å
131L87.9Confident78Confident125 Ų125119.4 Ų119.465%0.65457%0.571SS**THydrogen-bonded Turntrans-59.5-33.3-169.5-170.768.6000113.3Y128 Y134Y128-L131 WeakPolarHBondContact OH-CA 3.22Å; Y128-L131 PolarHBondContact OH-N 3.48Å; L131-Y134 HydrophobicContact CD1-CE2 4.28Å; L131-Y134 WeakPolarHBondContact O-CD2 3.26Å; L131-Y134 VanDerWaalsContact O-CE2 3.32Å; L131-Y134 WeakPolarHBondContact O-CE2 3.46Å
132N84.2Confident77.6Confident84 Ų84116.8 Ų116.845%0.44956%0.562SS.*THydrogen-bonded Turntrans-87.9-8.1-175.2-63.2-9.9000113.6I111 G130I111-N132 WeakPolarHBondContact CG2-ND2 3.44Å; G130-N132 PolarHBondContact O-N 3.34Å
133N85Confident77.8Confident27 Ų27117.9 Ų117.914%0.14457%0.566CS.*  trans-111.725.1-166.3-61.3-24.3000112.8A115 I118 K129 G130A115-N133 WeakPolarHBondContact CA-OD1 3.49Å; A115-N133 WeakPolarHBondContact CB-OD1 3.21Å; I118-N133 VanDerWaalsContact CD1-ND2 3.31Å; I118-N133 WeakPolarHBondContact CD1-ND2 3.29Å; I118-N133 HydrophobicContact CG2-CB 4.17Å; K129-N133 HydrophobicContact CB-CB 3.72Å; K129-N133 PolarHBondContact O-ND2 2.93Å; G130-N133 PolarHBondContact O-N 3.27Å; G130-N133 VanDerWaalsContact O-N 3.15Å
134Y82.6Confident78.1Confident142 Ų142116.9 Ų116.956%0.55757%0.572SS**SBendtrans-64.6153.7164.1-65.1-70.2000110.2Y128 L131 Q136Y128-Y134 HydrophobicContact CD2-CE1 4.24Å; Y128-Y134 HydrophobicContact CE2-CE1 4.12Å; Y128-Y134 AromaticContact CE2-CZ 3.8Å; Y128-Y134 WeakPolarHBondContact CE2-OH 3.3Å; L131-Y134 HydrophobicContact CD1-CE2 4.28Å; L131-Y134 WeakPolarHBondContact O-CD2 3.26Å; L131-Y134 VanDerWaalsContact O-CE2 3.32Å; L131-Y134 WeakPolarHBondContact O-CE2 3.46Å; Y134-Q136 PolarHBondContact O-N 3.35Å
135A73.2Confident78Confident66 Ų66117.9 Ų117.955%0.54558%0.575SS.*  trans-57.3108.5-176.200000111.4Y137A135-Y137 HydrophobicContact CB-CE2 4.37Å
136Q73.2Confident77.9Confident93 Ų93108.8 Ų108.844%0.43555%0.547SS..  trans-94.3109.9171.4-68.1-179.67.700108.1Y134 I138Y134-Q136 PolarHBondContact O-N 3.35Å; Q136-I138 VanDerWaalsContact C-N 3.25Å; Q136-I138 PolarHBondContact O-N 2.92Å
137Y74.7Confident77.8Confident194 Ų194105.9 Ų105.976%0.76153%0.531SS*.SBendtrans-76.5-16.3178.5-59.5-80.5000113.1A135A135-Y137 HydrophobicContact CB-CE2 4.37Å
138I79Confident77.2Confident141 Ų141100.8 Ų100.872%0.72351%0.506SS*.SBendtrans-106.7101.5178.2-56.3173.3000107.2Q136 K140Q136-I138 VanDerWaalsContact C-N 3.25Å; Q136-I138 PolarHBondContact O-N 2.92Å; I138-K140 PolarHBondContact O-N 2.96Å
139E73Confident76.6Confident132 Ų13294.4 Ų94.462%0.61748%0.483SS*.  trans-64.7123.6170.7-67.1-177.9165.400109.3K141E139-K141 HydrophobicContact CB-CG 4.24Å; E139-K141 PolarHBondContact O-N 3.36Å
140K74.1Confident76.1Confident124 Ų12492.6 Ų92.654%0.53948%0.479SS..  trans-74.398.1167.7-65.3175-174.7171.60106.8F112 I138 A148F112-K140 HydrophobicContact CE2-CD 3.95Å; F112-K140 HydrophobicContact CZ-CB 4.37Å; F112-K140 HydrophobicContact CZ-CD 4.05Å; I138-K140 PolarHBondContact O-N 2.96Å; K140-A148 WeakPolarHBondContact O-CB 3.15Å
141K69.5Low75.2Confident152 Ų15293.5 Ų93.566%0.66149%0.489SS*.PPolyproline II helixtrans-82.7157.1-179.3-67.7-175.9179.7-177.50111.4E139 T143E139-K141 HydrophobicContact CB-CG 4.24Å; E139-K141 PolarHBondContact O-N 3.36Å; K141-T143 PolarHBondContact O-N 3.31Å
142D75.4Confident74.2Confident98 Ų9895.7 Ų95.752%0.52449%0.493SS..PPolyproline II helixtrans-60.2127.4168.9-59.4-17.5000108.5G146 N147 A148D142-G146 WeakPolarHBondContact CA-O 3.48Å; D142-N147 VanDerWaalsContact OD1-CA 3.26Å; D142-N147 WeakPolarHBondContact OD1-CA 3.07Å; D142-A148 WeakPolarHBondContact OD1-CB 3.29Å; D142-A148 PolarHBondContact OD1-N 3.4Å
143T74.2Confident73.7Confident73 Ų7393.7 Ų93.745%0.44848%0.482SS..BIsolated β-bridgetrans-94.6169.8172.471.10000108.5K141 M145 G146 N153K141-T143 PolarHBondContact O-N 3.31Å; T143-M145 PolarHBondContact O-N 3.11Å; T143-M145 PolarHBondContact OG1-N 3.31Å; T143-G146 PolarHBondContact N-O 3.17Å; T143-G146 VanDerWaalsContact N-O 3.14Å; T143-G146 PolarHBondContact O-N 2.92Å; T143-G146 VanDerWaalsContact O-O 3.08Å; T143-N153 PolarHBondContact N-ND2 2.91Å; T143-N153 VanDerWaalsContact OG1-CG 3.27Å; T143-N153 PolarHBondContact OG1-ND2 3.03Å; T143-N153 PolarHBondContact OG1-OD1 3.33Å
144V73.7Confident73.3Confident161 Ų16193.2 Ų93.298%0.97648%0.479SS*.THydrogen-bonded Turntrans-55.1-21.6173.5-1750000112.1
145M66.9Low73.2Confident133 Ų13396 Ų9666%0.65549%0.494SS*.THydrogen-bonded Turntrans-82.3-11.3179-61.7-178.765.100114.3T143 F152T143-M145 PolarHBondContact O-N 3.11Å; T143-M145 PolarHBondContact OG1-N 3.31Å; M145-F152 HydrophobicContact CE-CD1 4.44Å
146G70.4Confident73.8Confident20 Ų2095.1 Ų95.121%0.20649%0.491CS..BIsolated β-bridgetrans147.1-172.4173.200000114.6D142 T143 N153D142-G146 WeakPolarHBondContact CA-O 3.48Å; T143-G146 PolarHBondContact N-O 3.17Å; T143-G146 VanDerWaalsContact N-O 3.14Å; T143-G146 PolarHBondContact O-N 2.92Å; T143-G146 VanDerWaalsContact O-O 3.08Å; G146-N153 PolarHBondContact O-ND2 3.48Å
147N75.6Confident74.7Confident104 Ų10495.2 Ų95.256%0.55650%0.499SS*.  trans-70.8152.5-177.9-60.512.8000110.8D142 S149 S150D142-N147 VanDerWaalsContact OD1-CA 3.26Å; D142-N147 WeakPolarHBondContact OD1-CA 3.07Å; N147-S149 PolarHBondContact O-N 3.37Å; N147-S149 VanDerWaalsContact O-N 3.08Å; N147-S150 PolarHBondContact N-OG 3.44Å; N147-S150 VanDerWaalsContact O-CB 3.29Å; N147-S150 WeakPolarHBondContact O-CB 3.21Å; N147-S150 PolarHBondContact O-N 3.13Å; N147-S150 PolarHBondContact O-OG 3.41Å
148A72.4Confident75.2Confident5 Ų589.9 Ų89.94%0.04148%0.483CS..THydrogen-bonded Turntrans-57.8-26.417900000113F112 K140 D142F112-A148 HydrophobicContact CE1-CB 4.26Å; F112-A148 VanDerWaalsContact CE1-O 3.29Å; F112-A148 WeakPolarHBondContact CE1-O 3.05Å; K140-A148 WeakPolarHBondContact O-CB 3.15Å; D142-A148 WeakPolarHBondContact OD1-CB 3.29Å; D142-A148 PolarHBondContact OD1-N 3.4Å
149S74.3Confident75.7Confident14 Ų1487.1 Ų87.110%0.09846%0.463CS..THydrogen-bonded Turntrans-89.3-13.4177.1-53.90000114Q109 E113 N147Q109-S149 PolarHBondContact NE2-O 2.96Å; E113-S149 VanDerWaalsContact CG-OG 3.27Å; E113-S149 WeakPolarHBondContact CG-OG 3.38Å; N147-S149 PolarHBondContact O-N 3.37Å; N147-S149 VanDerWaalsContact O-N 3.08Å
150S72.1Confident76.5Confident34 Ų3482.9 Ų82.924%0.23845%0.451CS..SBendtrans-72.2152.9179.574.80000111.2N147 F152 N153 R154N147-S150 PolarHBondContact N-OG 3.44Å; N147-S150 VanDerWaalsContact O-CB 3.29Å; N147-S150 WeakPolarHBondContact O-CB 3.21Å; N147-S150 PolarHBondContact O-N 3.13Å; N147-S150 PolarHBondContact O-OG 3.41Å; S150-F152 PolarHBondContact O-N 3.5Å; S150-F152 VanDerWaalsContact O-N 3.12Å; S150-N153 PolarHBondContact O-N 3.09Å; S150-N153 VanDerWaalsContact O-N 3.15Å; S150-R154 WeakPolarHBondContact O-CB 3.4Å; S150-R154 PolarHBondContact O-N 3.33Å
151G67.6Low77.3Confident42 Ų4280.7 Ų80.743%0.43345%0.449SS..THydrogen-bonded Turntrans-66.4-15.2-172.400000116M158G151-M158 WeakPolarHBondContact CA-SD 3.35Å
152F67.8Low78.2Confident170 Ų17075.4 Ų75.475%0.74643%0.434SS*.THydrogen-bonded Turntrans-78.5-26.9175.7-79.1-82.7000113.5M145 S150M145-F152 HydrophobicContact CE-CD1 4.44Å; S150-F152 PolarHBondContact O-N 3.5Å; S150-F152 VanDerWaalsContact O-N 3.12Å
153N73.3Confident78.9Confident42 Ų4277.6 Ų77.623%0.22545%0.445CS..THydrogen-bonded Turntrans-108.6-29.9-177.5-74.4-4.9000113.3T143 G146 S150T143-N153 PolarHBondContact N-ND2 2.91Å; T143-N153 VanDerWaalsContact OG1-CG 3.27Å; T143-N153 PolarHBondContact OG1-ND2 3.03Å; T143-N153 PolarHBondContact OG1-OD1 3.33Å; G146-N153 PolarHBondContact O-ND2 3.48Å; S150-N153 PolarHBondContact O-N 3.09Å; S150-N153 VanDerWaalsContact O-N 3.15Å
154R77.2Confident79.6Confident18 Ų1879 Ų797%0.06845%0.45CS..  trans-78131.8-177.5-172.4179.262.984.5-4.1110.3F112 S150 P157 M158F112-R154 HydrophobicContact CD1-CG 4.39Å; F112-R154 HydrophobicContact CG-CG 4.38Å; S150-R154 WeakPolarHBondContact O-CB 3.4Å; S150-R154 PolarHBondContact O-N 3.33Å; R154-P157 PolarHBondContact NH1-O 3.36Å; R154-P157 PolarHBondContact NH2-O 3.49Å; R154-M158 HydrophobicContact CB-CE 4.09Å; R154-M158 HydrophobicContact CG-CE 4.38Å; R154-M158 WeakPolarHBondContact O-CE 3.45Å
155K79.8Confident80.3Confident200 Ų20081.8 Ų81.887%0.8744%0.443SS*.  trans-86.8135.1168.8-59.7-176.3179.2-175.50109.8
156G86.1Confident81.4Confident48 Ų4878.8 Ų78.850%0.49544%0.439SS..SBendtrans127.2-173.1174.800000113.7M158G156-M158 WeakPolarHBondContact O-CE 3.37Å; G156-M158 PolarHBondContact O-N 3.44Å
157P90.8Very high82.6Confident94 Ų9484.7 Ų84.761%0.6147%0.471SS*.SBendtrans-55.5129.1178.4-24.233.6000110.6A108 R154A108-P157 HydrophobicContact CB-CB 4.31Å; A108-P157 HydrophobicContact CB-CG 4.35Å; R154-P157 PolarHBondContact NH1-O 3.36Å; R154-P157 PolarHBondContact NH2-O 3.49Å
158M87.2Confident83.5Confident83 Ų8385.2 Ų85.241%0.40948%0.478SS..PPolyproline II helixtrans-93.6144.9-176.6-73.7-64.8120.500111.6G151 R154 G156 A160G151-M158 WeakPolarHBondContact CA-SD 3.35Å; R154-M158 HydrophobicContact CB-CE 4.09Å; R154-M158 HydrophobicContact CG-CE 4.38Å; R154-M158 WeakPolarHBondContact O-CE 3.45Å; G156-M158 WeakPolarHBondContact O-CE 3.37Å; G156-M158 PolarHBondContact O-N 3.44Å; M158-A160 PolarHBondContact O-N 3.37Å
159R88.6Confident84.5Confident82 Ų8293.5 Ų93.531%0.30951%0.508SS..PPolyproline II helixtrans-72121.6174.9-169.6177.7-65.8153.5-8109.7V104 D107V104-R159 PolarHBondContact O-NH2 3.17Å; D107-R159 VanDerWaalsContact OD2-CB 3.3Å; D107-R159 WeakPolarHBondContact OD2-CB 3.46Å; D107-R159 IonicContact OD2-CZ 3.67Å; D107-R159 IonicContact OD2-NE 3.68Å; D107-R159 PolarHBondContact OD2-NE 2.63Å; D107-R159 IonicContact OD2-NH2 2.84Å
160A89.4Confident85.5Confident43 Ų43101.8 Ų101.836%0.35554%0.537SS..PPolyproline II helixtrans-69.2150.8173.200000111.6D101 M158 A162D101-A160 WeakPolarHBondContact OD2-CB 3.31Å; M158-A160 PolarHBondContact O-N 3.37Å; A160-A162 PolarHBondContact O-N 3.24Å
161P90.2Very high86.6Confident78 Ų78105 Ų10551%0.50655%0.552SS.*PPolyproline II helixtrans-66.4121.4173.327.4-33.7000110.9N163 L164P161-N163 VanDerWaalsContact C-N 3.3Å; P161-N163 PolarHBondContact O-N 3.45Å; P161-L164 HydrophobicContact CB-CB 4.2Å; P161-L164 HydrophobicContact CG-CB 4.09Å
162A89.9Confident87.7Confident41 Ų41108.1 Ų108.134%0.33955%0.551SS.*THydrogen-bonded Turntrans-70.9-23-175.700000114.1T97 V98 A160T97-A162 WeakPolarHBondContact CA-O 3.27Å; V98-A162 PolarHBondContact N-O 2.88Å; A160-A162 PolarHBondContact O-N 3.24Å
163N89.3Confident88.8Confident144 Ų144106.9 Ų106.977%0.7755%0.548SS*.THydrogen-bonded Turntrans-105.815.3-171.163.4-64.7000113.4P161P161-N163 VanDerWaalsContact C-N 3.3Å; P161-N163 PolarHBondContact O-N 3.45Å
164L88.3Confident89.7Confident104 Ų104107.8 Ų107.855%0.54556%0.556SS.*  trans-126.6124.2-179-171.5150.2000109.9P161P161-L164 HydrophobicContact CB-CB 4.2Å; P161-L164 HydrophobicContact CG-CB 4.09Å
165R89.2Confident90.5Very high219 Ų219112 Ų11283%0.82658%0.58SS**PPolyproline II helixtrans-91.2123.2167.2176.2177.6170.9157.3-0.9109T167R165-T167 PolarHBondContact O-N 3.19Å
166A91Very high91.1Very high69 Ų69104.5 Ų104.557%0.5755%0.549SS*.PPolyproline II helixtrans-64.5134.5173.800000110.6V168A166-V168 PolarHBondContact O-N 3.34Å
167T94.3Very high91.5Very high144 Ų144102.4 Ų102.488%0.88353%0.527SS*.PPolyproline II helixtrans-74120.2172.151.20000108.9R165R165-T167 PolarHBondContact O-N 3.19Å
168V94.2Very high91.6Very high115 Ų115103.9 Ų103.970%0.69752%0.523SS*.PPolyproline II helixtrans-97.8128179.6-1790000108.7A166A166-V168 PolarHBondContact O-N 3.34Å
169R94.8Very high92Very high180 Ų180103.1 Ų103.168%0.67952%0.521SS*.  trans-118.9129.2170.3-176.6-175.670.181.3-2.2107.8D171R169-D171 IonicContact CZ-OD2 3.1Å; R169-D171 IonicContact NH1-OD1 3.54Å; R169-D171 IonicContact NH1-OD2 2.87Å; R169-D171 IonicContact NH2-OD2 3.92Å; R169-D171 PolarHBondContact NH2-OD2 3.4Å
170W94.1Very high92.3Very high187 Ų187102.5 Ų102.571%0.70852%0.519SS*.  trans-75.6126170.8-61.6102.1000109.2Y172W170-Y172 HydrophobicContact CB-CD2 4.43Å; W170-Y172 HydrophobicContact CB-CE1 4.38Å; W170-Y172 HydrophobicContact CB-CE2 3.92Å
171D94.8Very high92.5Very high103 Ų103103.5 Ų103.555%0.55152%0.516SS*.  trans-95.6103.6172-150.4-26000109.3R169 Q173R169-D171 IonicContact CZ-OD2 3.1Å; R169-D171 IonicContact NH1-OD1 3.54Å; R169-D171 IonicContact NH1-OD2 2.87Å; R169-D171 IonicContact NH2-OD2 3.92Å; R169-D171 PolarHBondContact NH2-OD2 3.4Å; D171-Q173 VanDerWaalsContact C-N 3.34Å; D171-Q173 PolarHBondContact OD1-N 3.48Å
172Y92.3Very high92.6Very high106 Ų106105.6 Ų105.642%0.41652%0.519SS..  trans-85.4-8.1-178-70.6-64000113.1W170 P174 W205W170-Y172 HydrophobicContact CB-CD2 4.43Å; W170-Y172 HydrophobicContact CB-CE1 4.38Å; W170-Y172 HydrophobicContact CB-CE2 3.92Å; Y172-P174 WeakPolarHBondContact O-CD 3.39Å; Y172-W205 HydrophobicContact CD1-CB 4.45Å; Y172-W205 HydrophobicContact CE1-CB 4.41Å
173Q91Very high92.7Very high145 Ų145108.1 Ų108.168%0.67853%0.53SS*.  trans-85111.1-178.8-176.9176.5-29.600110.1D171D171-Q173 VanDerWaalsContact C-N 3.34Å; D171-Q173 PolarHBondContact OD1-N 3.48Å
174P91.7Very high92.9Very high61 Ų61102.7 Ų102.740%0.39651%0.508SS..  trans-79.8137.9175.734.2-35.8000110.7Y172 I176Y172-P174 WeakPolarHBondContact O-CD 3.39Å; P174-I176 HydrophobicContact CB-CD1 3.81Å; P174-I176 HydrophobicContact CB-CG1 4.02Å; P174-I176 HydrophobicContact CG-CD1 4.4Å; P174-I176 PolarHBondContact O-N 3.15Å
175D93.1Very high93.1Very high107 Ų107104.8 Ų104.857%0.57251%0.513SS*.  trans-8254.5172.5-71.7-37.3000111.3F194 L195D175-F194 HydrophobicContact CB-CD1 4.47Å; D175-L195 VanDerWaalsContact O-CB 3.23Å; D175-L195 WeakPolarHBondContact O-CB 3.47Å; D175-L195 PolarHBondContact O-N 3.27Å
176I93Very high93.4Very high42 Ų4294.6 Ų94.622%0.21548%0.475CS..BIsolated β-bridgetrans-101.8136-179.2-62.2166.3000110.2P174 K178 K181P174-I176 HydrophobicContact CB-CD1 3.81Å; P174-I176 HydrophobicContact CB-CG1 4.02Å; P174-I176 HydrophobicContact CG-CD1 4.4Å; P174-I176 PolarHBondContact O-N 3.15Å; I176-K178 PolarHBondContact O-N 3.44Å; I176-K178 VanDerWaalsContact O-N 3.14Å; I176-K181 HydrophobicContact CG2-CB 4.23Å; I176-K181 HydrophobicContact CG2-CD 4.11Å
177C94.6Very high93.6Very high4 Ų495.1 Ų95.13%0.02748%0.475CS..  trans-68.9111.7177.4-177.40000109.9D179 Y180 K181 F194 L195C177-D179 PolarHBondContact O-N 3.16Å; C177-Y180 PolarHBondContact O-N 3.15Å; C177-Y180 PolarHBondContact SG-N 2.87Å; C177-K181 WeakPolarHBondContact O-CB 3.29Å; C177-K181 PolarHBondContact O-N 3.38Å; C177-F194 HydrophobicContact CB-CB 3.8Å; C177-L195 PolarHBondContact N-O 3.34Å
178K93.1Very high93.6Very high124 Ų12494.9 Ų94.954%0.53946%0.462SS..Hα-helixtrans-55-51.3177.9-176.6-174.7-179.6-60.20111.9I176 Y180 K181 E182I176-K178 PolarHBondContact O-N 3.44Å; I176-K178 VanDerWaalsContact O-N 3.14Å; K178-Y180 VanDerWaalsContact C-N 3.34Å; K178-Y180 PolarHBondContact O-N 2.74Å; K178-K181 PolarHBondContact O-N 3.01Å; K178-E182 VanDerWaalsContact CE-OE1 3.24Å; K178-E182 WeakPolarHBondContact CE-OE1 3.23Å; K178-E182 WeakPolarHBondContact CG-OE1 3.4Å; K178-E182 IonicContact NZ-OE1 3.02Å; K178-E182 PolarHBondContact NZ-OE1 3.49Å; K178-E182 IonicContact NZ-OE2 2.77Å; K178-E182 PolarHBondContact NZ-OE2 3.2Å; K178-E182 PolarHBondContact O-N 2.6Å
179D95Very high93.5Very high68 Ų6890.8 Ų90.836%0.36444%0.444SS..Hα-helixtrans-62-44-176.1-58.8-26.1000111C177 T183 F185C177-D179 PolarHBondContact O-N 3.16Å; D179-T183 WeakPolarHBondContact O-CB 3.36Å; D179-T183 PolarHBondContact O-N 3.09Å; D179-T183 PolarHBondContact O-OG1 3Å; D179-F185 CarbonylContact C-O 3.52Å
180Y95.6Very high93.4Very high68 Ų6890 Ų9027%0.26745%0.453SS..Hα-helixtrans-67.4-38.4177.7-167.2-99.5000112.8C177 K178 G184 C186 H196 R198C177-Y180 PolarHBondContact O-N 3.15Å; C177-Y180 PolarHBondContact SG-N 2.87Å; K178-Y180 VanDerWaalsContact C-N 3.34Å; K178-Y180 PolarHBondContact O-N 2.74Å; Y180-G184 VanDerWaalsContact CE2-O 3.29Å; Y180-G184 WeakPolarHBondContact CE2-O 3.16Å; Y180-G184 WeakPolarHBondContact O-CA 3.47Å; Y180-G184 PolarHBondContact O-N 2.77Å; Y180-C186 HydrophobicContact CD2-CB 4.29Å; Y180-H196 HydrophobicContact CD1-CB 3.54Å; Y180-H196 AromaticContact CD1-CG 3.85Å; Y180-H196 HydrophobicContact CD2-CB 4.45Å; Y180-H196 AromaticContact CD2-CG 3.97Å; Y180-H196 HydrophobicContact CE1-CB 3.56Å; Y180-H196 HydrophobicContact CE2-CB 4.47Å; Y180-H196 HydrophobicContact CG-CB 4Å; Y180-H196 AromaticContact CG-CD2 3.62Å; Y180-H196 AromaticContact CG-CG 3.76Å; Y180-R198 HydrophobicContact CD1-CG 4.08Å; Y180-R198 HydrophobicContact CE1-CG 3.87Å; Y180-R198 PolarHBondContact O-NH1 3.11Å
181K93.8Very high93.5Very high65 Ų6586.6 Ų86.628%0.28346%0.457SS..Hα-helixtrans-64.1-49.5178.6-177.3171.4179.5162.80111.2I176 C177 K178 R198 S199I176-K181 HydrophobicContact CG2-CB 4.23Å; I176-K181 HydrophobicContact CG2-CD 4.11Å; C177-K181 WeakPolarHBondContact O-CB 3.29Å; C177-K181 PolarHBondContact O-N 3.38Å; K178-K181 PolarHBondContact O-N 3.01Å; K181-R198 PolarHBondContact O-NH1 3.09Å; K181-S199 WeakPolarHBondContact CE-O 3.15Å; K181-S199 PolarHBondContact NZ-O 2.93Å
182E91.4Very high93.4Very high121 Ų12182.8 Ų82.857%0.56544%0.438SS*.Hα-helixtrans-75.4-52.2-177.5-68.4172.2-16700111.7K178K178-E182 VanDerWaalsContact CE-OE1 3.24Å; K178-E182 WeakPolarHBondContact CE-OE1 3.23Å; K178-E182 WeakPolarHBondContact CG-OE1 3.4Å; K178-E182 IonicContact NZ-OE1 3.02Å; K178-E182 PolarHBondContact NZ-OE1 3.49Å; K178-E182 IonicContact NZ-OE2 2.77Å; K178-E182 PolarHBondContact NZ-OE2 3.2Å; K178-E182 PolarHBondContact O-N 2.6Å
183T92.6Very high93.6Very high94 Ų9486.2 Ų86.258%0.57746%0.456SS*.Hα-helixtrans-95.5-26.4-169.472.90000113.8D179 F185D179-T183 WeakPolarHBondContact O-CB 3.36Å; D179-T183 PolarHBondContact O-N 3.09Å; D179-T183 PolarHBondContact O-OG1 3Å; T183-F185 VanDerWaalsContact C-N 3.27Å; T183-F185 PolarHBondContact OG1-N 2.69Å; T183-F185 VanDerWaalsContact OG1-N 3.09Å; T183-F185 PolarHBondContact OG1-O 3.24Å
184G92.8Very high93.7Very high31 Ų3183.1 Ų83.132%0.3244%0.44SS..SBendtrans85.62.3-171.800000113.4Y180Y180-G184 VanDerWaalsContact CE2-O 3.29Å; Y180-G184 WeakPolarHBondContact CE2-O 3.16Å; Y180-G184 WeakPolarHBondContact O-CA 3.47Å; Y180-G184 PolarHBondContact O-N 2.77Å
185F93.3Very high93.8Very high147 Ų14785.4 Ų85.465%0.64545%0.448SS*.  trans-130.4123.3178.6-179.7-101.1000109.6D179 T183D179-F185 CarbonylContact C-O 3.52Å; T183-F185 VanDerWaalsContact C-N 3.27Å; T183-F185 PolarHBondContact OG1-N 2.69Å; T183-F185 VanDerWaalsContact OG1-N 3.09Å; T183-F185 PolarHBondContact OG1-O 3.24Å
186C95.9Very high93.9Very high5 Ų583.1 Ų83.13%0.03443%0.434CS..  trans-100.5127.5167.8-173.70000108.2Y180 F188 G189 C192 H196Y180-C186 HydrophobicContact CD2-CB 4.29Å; C186-F188 PolarHBondContact O-N 3.43Å; C186-G189 PolarHBondContact O-N 2.89Å; C186-C192 VanDerWaalsContact SG-SG 3.64Å; C186-H196 VanDerWaalsContact CB-NE2 3.3Å; C186-H196 WeakPolarHBondContact CB-NE2 3.39Å
187S93.6Very high93.9Very high81 Ų8183.9 Ų83.957%0.56644%0.439SS*.THydrogen-bonded Turntrans-59.4-27.7175.653.40000113G189S187-G189 VanDerWaalsContact C-N 3.33Å
188F94.8Very high93.8Very high138 Ų13890 Ų9061%0.60546%0.461SS*.THydrogen-bonded Turntrans-82.1-8.7176.8-57.5-73.6000113.7C186 D190 S191 C192C186-F188 PolarHBondContact O-N 3.43Å; F188-D190 PolarHBondContact O-N 2.98Å; F188-S191 WeakPolarHBondContact O-CB 3.43Å; F188-S191 PolarHBondContact O-N 3.18Å; F188-S191 VanDerWaalsContact O-N 3.11Å; F188-C192 HydrophobicContact CB-CB 4.07Å
189G92.8Very high93.7Very high30 Ų3085.4 Ų85.431%0.30945%0.445SS..G310 helixtrans51.1-138.3-173.700000111.7C186 S187 S191 C192 H196C186-G189 PolarHBondContact O-N 2.89Å; S187-G189 VanDerWaalsContact C-N 3.33Å; G189-S191 PolarHBondContact O-N 3.25Å; G189-S191 VanDerWaalsContact O-N 3.16Å; G189-C192 WeakPolarHBondContact O-CB 3.41Å; G189-C192 PolarHBondContact O-N 3.12Å; G189-H196 PolarHBondContact O-CE1 3.41Å
190D93.2Very high93.3Very high163 Ų16389 Ų8987%0.87246%0.464SS*.G310 helixtrans-70-8.5-179.3-61.2-19.4000114.1F188 C192F188-D190 PolarHBondContact O-N 2.98Å; D190-C192 PolarHBondContact O-N 3.06Å
191S94.8Very high93Very high115 Ų11594.7 Ų94.780%0.80449%0.486SS*.G310 helixtrans-81-1.3174.5-56.30000112.7F188 G189 K193F188-S191 WeakPolarHBondContact O-CB 3.43Å; F188-S191 PolarHBondContact O-N 3.18Å; F188-S191 VanDerWaalsContact O-N 3.11Å; G189-S191 PolarHBondContact O-N 3.25Å; G189-S191 VanDerWaalsContact O-N 3.16Å; S191-K193 PolarHBondContact O-N 3.08Å
192C94.3Very high92.8Very high23 Ų2396.4 Ų96.416%0.15549%0.494CS..  trans-64.7130.4178.6-166.20000111.2C186 F188 G189 D190 F194C186-C192 VanDerWaalsContact SG-SG 3.64Å; F188-C192 HydrophobicContact CB-CB 4.07Å; G189-C192 WeakPolarHBondContact O-CB 3.41Å; G189-C192 PolarHBondContact O-N 3.12Å; D190-C192 PolarHBondContact O-N 3.06Å; C192-F194 PolarHBondContact O-N 2.88Å
193K94.7Very high92.8Very high179 Ų17993.4 Ų93.478%0.77848%0.48SS*.SBendtrans-72.6-14.1174.970.4175.9-175.4177.70113.6S191S191-K193 PolarHBondContact O-N 3.08Å
194F94.7Very high92.7Very high79 Ų7990.8 Ų90.835%0.34647%0.471SS..SBendtrans-99.9152.2-176.6-58.2-68.4000110.8D175 C177 C192D175-F194 HydrophobicContact CB-CD1 4.47Å; C177-F194 HydrophobicContact CB-CB 3.8Å; C192-F194 PolarHBondContact O-N 2.88Å
195L93.6Very high92.7Very high109 Ų10995.1 Ų95.157%0.57148%0.478SS*.BIsolated β-bridgetrans-68.2130-179-170.868.5000111.5D175 C177 D197D175-L195 VanDerWaalsContact O-CB 3.23Å; D175-L195 WeakPolarHBondContact O-CB 3.47Å; D175-L195 PolarHBondContact O-N 3.27Å; C177-L195 PolarHBondContact N-O 3.34Å; L195-D197 HydrophobicContact CD2-CB 4.19Å; L195-D197 HydrophobicContact CG-CB 4.29Å; L195-D197 PolarHBondContact O-N 3.26Å; L195-D197 VanDerWaalsContact O-N 3.15Å
196H95Very high92.6Very high60 Ų6091 Ų9128%0.27846%0.46SS..  trans-83.279.4172.2-75.1174.8000110.9Y180 C186 G189Y180-H196 HydrophobicContact CD1-CB 3.54Å; Y180-H196 AromaticContact CD1-CG 3.85Å; Y180-H196 HydrophobicContact CD2-CB 4.45Å; Y180-H196 AromaticContact CD2-CG 3.97Å; Y180-H196 HydrophobicContact CE1-CB 3.56Å; Y180-H196 HydrophobicContact CE2-CB 4.47Å; Y180-H196 HydrophobicContact CG-CB 4Å; Y180-H196 AromaticContact CG-CD2 3.62Å; Y180-H196 AromaticContact CG-CG 3.76Å; C186-H196 VanDerWaalsContact CB-NE2 3.3Å; C186-H196 WeakPolarHBondContact CB-NE2 3.39Å; G189-H196 PolarHBondContact O-CE1 3.41Å
197D93.3Very high92.4Very high57 Ų5793.4 Ų93.431%0.30547%0.472SS..  trans-121137.9174-170.910.8000110.6L195 S199L195-D197 HydrophobicContact CD2-CB 4.19Å; L195-D197 HydrophobicContact CG-CB 4.29Å; L195-D197 PolarHBondContact O-N 3.26Å; L195-D197 VanDerWaalsContact O-N 3.15Å; D197-S199 VanDerWaalsContact CG-OG 3.27Å; D197-S199 WeakPolarHBondContact OD1-CB 3.27Å; D197-S199 PolarHBondContact OD1-N 3.42Å; D197-S199 PolarHBondContact OD1-OG 3.21Å; D197-S199 WeakPolarHBondContact OD2-CB 3.4Å; D197-S199 PolarHBondContact OD2-OG 2.98Å
198R91.4Very high92.3Very high133 Ų13395 Ų9550%0.50247%0.471SS..  trans-108.211.2177.3-67.1179.364.574.2-5.5112.1Y180 K181Y180-R198 HydrophobicContact CD1-CG 4.08Å; Y180-R198 HydrophobicContact CE1-CG 3.87Å; Y180-R198 PolarHBondContact O-NH1 3.11Å; K181-R198 PolarHBondContact O-NH1 3.09Å
199S90.4Very high92.1Very high28 Ų2893 Ų9320%0.19646%0.463CS..  trans-67.8137.8176.276.30000112.1K181 D197K181-S199 WeakPolarHBondContact CE-O 3.15Å; K181-S199 PolarHBondContact NZ-O 2.93Å; D197-S199 VanDerWaalsContact CG-OG 3.27Å; D197-S199 WeakPolarHBondContact OD1-CB 3.27Å; D197-S199 PolarHBondContact OD1-N 3.42Å; D197-S199 PolarHBondContact OD1-OG 3.21Å; D197-S199 WeakPolarHBondContact OD2-CB 3.4Å; D197-S199 PolarHBondContact OD2-OG 2.98Å
200D87.7Confident92Very high144 Ų14493.3 Ų93.377%0.7746%0.457SS*.  trans-109.223.1-177.362.3-24.2000112.6
201Y89.5Confident91.9Very high186 Ų18691.2 Ų91.273%0.72945%0.445SS*.PPolyproline II helixtrans-59.6145.7175.3-62.4-68.8000112.2
202K88.7Confident91.7Very high102 Ų10290 Ų9044%0.44344%0.443SS..PPolyproline II helixtrans-66.2140.8175-62-179.1-175.4-1760110.5Q206 I207 E210K202-Q206 HydrophobicContact CB-CB 4.34Å; K202-I207 HydrophobicContact CB-CD1 4.3Å; K202-I207 HydrophobicContact CB-CG1 3.94Å; K202-E210 WeakPolarHBondContact CD-OE1 3.3Å; K202-E210 WeakPolarHBondContact CE-OE1 3.37Å; K202-E210 IonicContact NZ-OE1 3.8Å; K202-E210 PolarHBondContact NZ-OE1 2.94Å; K202-E210 IonicContact NZ-OE2 2.72Å; K202-E210 PolarHBondContact NZ-OE2 3.38Å
203H91.1Very high91.5Very high58 Ų5894.7 Ų94.727%0.26946%0.462SS..PPolyproline II helixtrans-73.5156.5174.6-62.679000110.5W205 Q206 I207H203-W205 VanDerWaalsContact CB-CD1 3.46Å; H203-W205 HydrophobicContact CB-CG 4.34Å; H203-W205 AromaticContact CG-NE1 3.85Å; H203-W205 PolarHBondContact O-N 3.2Å; H203-Q206 HydrophobicContact CB-CG 4.36Å; H203-Q206 PolarHBondContact ND1-OE1 3.39Å; H203-Q206 WeakPolarHBondContact O-CB 3.34Å; H203-Q206 PolarHBondContact O-N 3.46Å; H203-I207 PolarHBondContact O-N 3.04Å; H203-I207 VanDerWaalsContact O-N 3.12Å
204G92Very high91Very high38 Ų3888.7 Ų88.739%0.39245%0.451SS..Hα-helixtrans-52.4-40.9178.800000113.3Q206 I207 E208G204-Q206 PolarHBondContact O-N 2.91Å; G204-I207 PolarHBondContact O-N 2.86Å; G204-E208 WeakPolarHBondContact O-CG 3.2Å; G204-E208 PolarHBondContact O-N 2.99Å
205W92Very high90.4Very high122 Ų12287.2 Ų87.246%0.46245%0.448SS..Hα-helixtrans-66.3-33.5178.171.3-95.7000113.5Y172 H203 Q209Y172-W205 HydrophobicContact CD1-CB 4.45Å; Y172-W205 HydrophobicContact CE1-CB 4.41Å; H203-W205 VanDerWaalsContact CB-CD1 3.46Å; H203-W205 HydrophobicContact CB-CG 4.34Å; H203-W205 AromaticContact CG-NE1 3.85Å; H203-W205 PolarHBondContact O-N 3.2Å; W205-Q209 PolarHBondContact O-N 3.23Å; W205-Q209 VanDerWaalsContact O-N 3.09Å
206Q90.4Very high89.7Confident60 Ų6088.1 Ų88.128%0.2845%0.445SS..Hα-helixtrans-68.8-39.8175.6-64.8175.4-46.600110.2K202 H203 G204 Q209 E210K202-Q206 HydrophobicContact CB-CB 4.34Å; H203-Q206 HydrophobicContact CB-CG 4.36Å; H203-Q206 PolarHBondContact ND1-OE1 3.39Å; H203-Q206 WeakPolarHBondContact O-CB 3.34Å; H203-Q206 PolarHBondContact O-N 3.46Å; G204-Q206 PolarHBondContact O-N 2.91Å; Q206-Q209 PolarHBondContact O-N 2.92Å; Q206-E210 WeakPolarHBondContact O-CG 3.43Å; Q206-E210 PolarHBondContact O-N 3.48Å
207I91.5Very high88.7Confident56 Ų5688 Ų8829%0.28746%0.459SS..Hα-helixtrans-66.9-43.3176.4-64.2168.7000111K202 H203 G204 Q209 E210 L211 Y216K202-I207 HydrophobicContact CB-CD1 4.3Å; K202-I207 HydrophobicContact CB-CG1 3.94Å; H203-I207 PolarHBondContact O-N 3.04Å; H203-I207 VanDerWaalsContact O-N 3.12Å; G204-I207 PolarHBondContact O-N 2.86Å; I207-Q209 VanDerWaalsContact C-N 3.28Å; I207-Q209 PolarHBondContact O-N 3.42Å; I207-E210 PolarHBondContact O-N 3.14Å; I207-L211 VanDerWaalsContact O-CB 3.27Å; I207-L211 WeakPolarHBondContact O-CB 3.37Å; I207-L211 PolarHBondContact O-N 2.84Å; I207-Y216 HydrophobicContact CB-CE2 4.47Å; I207-Y216 HydrophobicContact CG1-CE2 4.32Å; I207-Y216 HydrophobicContact CG2-CD2 3.95Å; I207-Y216 HydrophobicContact CG2-CE2 3.62Å
208E92.3Very high87.7Confident114 Ų11489.3 Ų89.353%0.53347%0.466SS..Hα-helixtrans-59.3-40.6176.2-76.1176.1-171.300111.8G204 A212G204-E208 WeakPolarHBondContact O-CG 3.2Å; G204-E208 PolarHBondContact O-N 2.99Å; E208-A212 WeakPolarHBondContact O-CB 3.36Å; E208-A212 PolarHBondContact O-N 3.45Å
209Q90.7Very high86.3Confident96 Ų9690.2 Ų90.245%0.44948%0.481SS..Hα-helixtrans-65.3-50.5175.2-177.9173.316.400112W205 Q206 I207 L211 A212 E213W205-Q209 PolarHBondContact O-N 3.23Å; W205-Q209 VanDerWaalsContact O-N 3.09Å; Q206-Q209 PolarHBondContact O-N 2.92Å; I207-Q209 VanDerWaalsContact C-N 3.28Å; I207-Q209 PolarHBondContact O-N 3.42Å; Q209-L211 PolarHBondContact O-N 2.93Å; Q209-A212 PolarHBondContact O-N 2.99Å; Q209-A212 VanDerWaalsContact O-N 3.09Å; Q209-E213 VanDerWaalsContact CG-OE1 3.24Å; Q209-E213 WeakPolarHBondContact CG-OE1 3.24Å; Q209-E213 PolarHBondContact NE2-OE1 2.99Å; Q209-E213 WeakPolarHBondContact O-CG 3.43Å; Q209-E213 PolarHBondContact O-N 3.4Å
210E90.7Very high84.8Confident38 Ų3891.8 Ų91.818%0.17850%0.501CS..Hα-helixtrans-60-34.8177.9-73.3176.8-177.800112.3K202 Q206 I207 G214 V215 Y216K202-E210 WeakPolarHBondContact CD-OE1 3.3Å; K202-E210 WeakPolarHBondContact CE-OE1 3.37Å; K202-E210 IonicContact NZ-OE1 3.8Å; K202-E210 PolarHBondContact NZ-OE1 2.94Å; K202-E210 IonicContact NZ-OE2 2.72Å; K202-E210 PolarHBondContact NZ-OE2 3.38Å; Q206-E210 WeakPolarHBondContact O-CG 3.43Å; Q206-E210 PolarHBondContact O-N 3.48Å; I207-E210 PolarHBondContact O-N 3.14Å; E210-G214 CarbonylContact O-C 3.59Å; E210-G214 PolarHBondContact O-N 3.3Å; E210-V215 PolarHBondContact O-N 3.42Å; E210-Y216 HydrophobicContact CB-CD2 4.35Å; E210-Y216 PolarHBondContact O-N 3.47Å; E210-Y216 VanDerWaalsContact O-N 3.08Å
211L90.6Very high83.3Confident118 Ų11890.7 Ų90.762%0.61849%0.492SS*.Hα-helixtrans-69.4-40.3176.2-175.266.4000111.5I207 Q209 G214 Y216I207-L211 VanDerWaalsContact O-CB 3.27Å; I207-L211 WeakPolarHBondContact O-CB 3.37Å; I207-L211 PolarHBondContact O-N 2.84Å; Q209-L211 PolarHBondContact O-N 2.93Å; L211-G214 PolarHBondContact O-N 3.36Å; L211-Y216 HydrophobicContact CD1-CD1 4.45Å
212A91.8Very high81.9Confident91 Ų9188.9 Ų88.975%0.75249%0.494SS*.Hα-helixtrans-67.4-36.4176.300000112.4E208 Q209 G214E208-A212 WeakPolarHBondContact O-CB 3.36Å; E208-A212 PolarHBondContact O-N 3.45Å; Q209-A212 PolarHBondContact O-N 2.99Å; Q209-A212 VanDerWaalsContact O-N 3.09Å; A212-G214 VanDerWaalsContact C-N 3.27Å
213E90.4Very high80.5Confident121 Ų12188.2 Ų88.257%0.56550%0.496SS*.Hα-helixtrans-78.1-12.7175.2-67.6170.9-17100112.5Q209 V215Q209-E213 VanDerWaalsContact CG-OE1 3.24Å; Q209-E213 WeakPolarHBondContact CG-OE1 3.24Å; Q209-E213 PolarHBondContact NE2-OE1 2.99Å; Q209-E213 WeakPolarHBondContact O-CG 3.43Å; Q209-E213 PolarHBondContact O-N 3.4Å; E213-V215 VanDerWaalsContact C-N 3.26Å; E213-V215 HydrophobicContact CB-CG2 3.96Å; E213-V215 PolarHBondContact O-N 3.09Å
214G84.3Confident79Confident52 Ų5291.4 Ų91.454%0.53651%0.505SS..THydrogen-bonded Turntrans73.815.4-177.800000114E210 L211 A212 I218E210-G214 CarbonylContact O-C 3.59Å; E210-G214 PolarHBondContact O-N 3.3Å; L211-G214 PolarHBondContact O-N 3.36Å; A212-G214 VanDerWaalsContact C-N 3.27Å; G214-I218 WeakPolarHBondContact O-CD1 3.24Å
215V82Confident77.4Confident48 Ų4899.7 Ų99.729%0.29153%0.526SS..  trans-90.6-14.7-179.4-1750000111.6E210 E213 G217 I218E210-V215 PolarHBondContact O-N 3.42Å; E213-V215 VanDerWaalsContact C-N 3.26Å; E213-V215 HydrophobicContact CB-CG2 3.96Å; E213-V215 PolarHBondContact O-N 3.09Å; V215-G217 PolarHBondContact O-N 2.86Å; V215-I218 WeakPolarHBondContact O-CB 3.44Å; V215-I218 PolarHBondContact O-N 3Å
216Y78.1Confident75.8Confident128 Ų12899.9 Ų99.950%0.50253%0.532SS..THydrogen-bonded Turntrans-59123.2179.3-173.5-104000111.7I207 E210 L211 I218I207-Y216 HydrophobicContact CB-CE2 4.47Å; I207-Y216 HydrophobicContact CG1-CE2 4.32Å; I207-Y216 HydrophobicContact CG2-CD2 3.95Å; I207-Y216 HydrophobicContact CG2-CE2 3.62Å; E210-Y216 HydrophobicContact CB-CD2 4.35Å; E210-Y216 PolarHBondContact O-N 3.47Å; E210-Y216 VanDerWaalsContact O-N 3.08Å; L211-Y216 HydrophobicContact CD1-CD1 4.45Å; Y216-I218 VanDerWaalsContact C-N 3.31Å
217G74.8Confident73.9Confident57 Ų57104 Ų10459%0.58856%0.555SS**THydrogen-bonded Turntrans80.93.9-178.800000115.2V215 D219V215-G217 PolarHBondContact O-N 2.86Å; G217-D219 VanDerWaalsContact C-N 3.28Å; G217-D219 PolarHBondContact O-N 2.91Å; G217-D219 VanDerWaalsContact O-N 3.09Å
218I71.1Confident71.4Confident86 Ų86105 Ų10544%0.44157%0.567SS.*  trans-81.683.4166.4-53.1-178000107.6G214 V215 Y216 G220 R224G214-I218 WeakPolarHBondContact O-CD1 3.24Å; V215-I218 WeakPolarHBondContact O-CB 3.44Å; V215-I218 PolarHBondContact O-N 3Å; Y216-I218 VanDerWaalsContact C-N 3.31Å; I218-G220 PolarHBondContact O-N 3.01Å; I218-R224 PolarHBondContact O-NH1 3.09Å; I218-R224 PolarHBondContact O-NH2 2.94Å
219D62.1Low69.1Low152 Ų152108.4 Ų108.481%0.81358%0.582SS**  trans-81.8102167.2-62.5-32.1000107.2G217G217-D219 VanDerWaalsContact C-N 3.28Å; G217-D219 PolarHBondContact O-N 2.91Å; G217-D219 VanDerWaalsContact O-N 3.09Å
220G59.6Low66.7Low61 Ų61112.3 Ų112.363%0.62960%0.598SS**  trans158.40.4174.500000120.1I218I218-G220 PolarHBondContact O-N 3.01Å
221E55.3Low64Low121 Ų121113.4 Ų113.457%0.56561%0.609SS**  trans-107.988.7170.8-143.199.9-139.100109N223 R224E221-N223 HydrophobicContact CG-CB 4.5Å; E221-N223 PolarHBondContact O-N 3.35Å; E221-R224 PolarHBondContact O-N 3.08Å
222D60.3Low61.8Low148 Ų148115.6 Ų115.679%0.79162%0.616SS**G310 helixtrans-59.9-2.3178.2-78.9-21.2000113.7R224D222-R224 VanDerWaalsContact C-N 3.28Å; D222-R224 PolarHBondContact O-N 3.36Å
223N59.4Low59.6Low88 Ų88117.8 Ų117.847%0.47161%0.611SS.*G310 helixtrans-79.2-5.4178.3-56.6-24.6000113.4E221 Y225 E226E221-N223 HydrophobicContact CG-CB 4.5Å; E221-N223 PolarHBondContact O-N 3.35Å; N223-Y225 PolarHBondContact O-N 3.08Å; N223-E226 PolarHBondContact O-N 2.72Å; N223-E226 VanDerWaalsContact O-N 3.17Å
224R60.4Low57.6Low124 Ų124118.6 Ų118.647%0.46862%0.615SS.*G310 helixtrans-63.5-21.5-179.6-73.5-172.7-70.4-140.3-2114.1I218 E221 D222I218-R224 PolarHBondContact O-NH1 3.09Å; I218-R224 PolarHBondContact O-NH2 2.94Å; E221-R224 PolarHBondContact O-N 3.08Å; D222-R224 VanDerWaalsContact C-N 3.28Å; D222-R224 PolarHBondContact O-N 3.36Å
225Y58.4Low55.9Low213 Ų213124.8 Ų124.884%0.83563%0.63SS**G310 helixtrans-112.40.9175.8-58.2-76.2000113.2N223 I227N223-Y225 PolarHBondContact O-N 3.08Å; Y225-I227 PolarHBondContact O-N 2.62Å
226E58.3Low54.2Low126 Ų126130.5 Ų130.559%0.58965%0.653SS**  trans-72.6102.6170.9-72.8-167.7169.800108.3N223 S228N223-E226 PolarHBondContact O-N 2.72Å; N223-E226 VanDerWaalsContact O-N 3.17Å; E226-S228 PolarHBondContact O-N 3.17Å
227I50.3Low52.5Low147 Ų147126 Ų12675%0.75465%0.646SS**  trans-6685.9158.5-55.6170.6000105.2Y225 H229Y225-I227 PolarHBondContact O-N 2.62Å; I227-H229 PolarHBondContact O-N 2.87Å
228S39.3Very low51.2Low76 Ų76126.8 Ų126.853%0.53163%0.634SS.*  trans-63.7103.9174.263.40000106.9E226 K230E226-S228 PolarHBondContact O-N 3.17Å; S228-K230 PolarHBondContact O-N 3.2Å
229H44.3Very low50.5Low185 Ų185132 Ų13286%0.85666%0.656SS**  trans-61.810.6165.6-85.6-73000113.1I227 S231I227-H229 PolarHBondContact O-N 2.87Å; H229-S231 PolarHBondContact O-N 3.05Å
230K38.5Very low50.4Low179 Ų179128.2 Ų128.278%0.77865%0.653SS**SBendtrans-7385.8161-71.5177.2-177.5168.20107.4S228 E232S228-K230 PolarHBondContact O-N 3.2Å; K230-E232 PolarHBondContact O-N 2.96Å
231S35.6Very low51Low60 Ų60126.2 Ų126.242%0.4263%0.628SS.*  trans-1.8110.6162.454.20000114.2H229 E233 E234H229-S231 PolarHBondContact O-N 3.05Å; S231-E233 PolarHBondContact O-N 3.13Å; S231-E234 PolarHBondContact O-N 3.13Å
232E44.3Very low52.2Low164 Ų164122.9 Ų122.977%0.76662%0.617SS**THydrogen-bonded Turntrans-47.5-3165-63.5162.8-178.700113.3K230K230-E232 PolarHBondContact O-N 2.96Å
233E44.5Very low53.4Low137 Ų137117.4 Ų117.464%0.6459%0.588SS**THydrogen-bonded Turntrans-80.6-14.6177.6-55.7-161.3-158.900115.9S231 K261S231-E233 PolarHBondContact O-N 3.13Å; E233-K261 IonicContact OE2-NZ 2.69Å; E233-K261 PolarHBondContact OE2-NZ 3.29Å
234E48.1Very low54.9Low138 Ų138117.9 Ų117.965%0.64559%0.586SS**THydrogen-bonded Turntrans-102.8-26.7-171.9-65.1-160.615900115.9S231S231-E234 PolarHBondContact O-N 3.13Å
235E48.8Very low56.4Low182 Ų182112 Ų11285%0.8556%0.564SS**THydrogen-bonded Turntrans-106.8-28.6-177.8-87.4-179.116300115.1G237 F238E235-G237 PolarHBondContact O-N 2.8Å; E235-F238 PolarHBondContact O-N 3.22Å
236E46.4Very low57.9Low168 Ų168104.5 Ų104.579%0.78554%0.537SS*.THydrogen-bonded Turntrans-70.9-2.1177.5-65.8-166.7157.600114.2
237G43Very low59.5Low34 Ų34101 Ų10135%0.35152%0.522SS..THydrogen-bonded Turntrans-94.1-1.4-179.700000115.5E235 E239 I241E235-G237 PolarHBondContact O-N 2.8Å; G237-E239 PolarHBondContact O-N 3.09Å; G237-I241 WeakPolarHBondContact O-CG1 3.37Å
238F48.1Very low61.6Low74 Ų7496 Ų9633%0.32550%0.499SS..THydrogen-bonded Turntrans-70-28.9-167.6-166.7-100.5000113.9E235 L303 K306E235-F238 PolarHBondContact O-N 3.22Å; F238-L303 HydrophobicContact CD1-CD2 4.3Å; F238-L303 HydrophobicContact CE1-CD2 3.55Å; F238-L303 HydrophobicContact CE2-CD2 4.24Å; F238-L303 HydrophobicContact CZ-CD2 3.51Å; F238-L303 HydrophobicContact CZ-CG 4.12Å; F238-K306 HydrophobicContact CE1-CD 4.31Å; F238-K306 HydrophobicContact CZ-CD 4.23Å
239E54.7Low64Low195 Ų195102.2 Ų102.291%0.91151%0.511SS*.THydrogen-bonded Turntrans-96.1-7.1-173.3-62.4-167.7157.400114.8G237G237-E239 PolarHBondContact O-N 3.09Å
240G61.5Low66.2Low73 Ų73100.3 Ų100.375%0.75350%0.5SS*.  trans-104.70.2-175.700000115.9S242G240-S242 PolarHBondContact O-N 3.06Å
241I72Confident68.7Low19 Ų1995.2 Ų95.210%0.09748%0.482CS..  trans-79.1109.1-174-61.1165.5000109.9G237 L243 Y263 L296 R299 I300 L303G237-I241 WeakPolarHBondContact O-CG1 3.37Å; I241-L243 PolarHBondContact O-N 3.47Å; I241-Y263 HydrophobicContact CG1-CE2 4.28Å; I241-L296 HydrophobicContact CG2-CD1 3.56Å; I241-R299 HydrophobicContact CD1-CB 4.4Å; I241-I300 HydrophobicContact CG2-CG1 4.45Å; I241-L303 HydrophobicContact CB-CD1 4.43Å
242S80.5Confident71.4Confident50 Ų5093.2 Ų93.235%0.3547%0.465SS..  trans-56.2130.1170.6178.30000110.3G240 F244 Y252G240-S242 PolarHBondContact O-N 3.06Å; S242-F244 PolarHBondContact O-N 3.41Å; S242-F244 PolarHBondContact OG-N 3.42Å; S242-F244 PolarHBondContact OG-O 3.12Å; S242-Y252 VanDerWaalsContact O-CE2 3.26Å; S242-Y252 WeakPolarHBondContact O-CE2 3.5Å; S242-Y252 PolarHBondContact O-OH 3.05Å
243L85.7Confident73.6Confident33 Ų3392.4 Ų92.417%0.17346%0.459CS..SBendtrans-69.1-19.3178-71.4165.7000112.9I241 I300 L303 R304 K307I241-L243 PolarHBondContact O-N 3.47Å; L243-I300 HydrophobicContact CD2-CG2 4.09Å; L243-L303 HydrophobicContact CD2-CB 4.16Å; L243-R304 HydrophobicContact CD2-CG 4.32Å; L243-K307 HydrophobicContact CD1-CD 4.44Å
244F89.8Confident75.9Confident98 Ų9890.9 Ų90.943%0.4346%0.456SS..SBendtrans-126.1151.2-176.9-53.8-74000110.8S242 M246 D251 Y252S242-F244 PolarHBondContact O-N 3.41Å; S242-F244 PolarHBondContact OG-N 3.42Å; S242-F244 PolarHBondContact OG-O 3.12Å; F244-M246 PolarHBondContact O-N 3.37Å; F244-D251 WeakPolarHBondContact CD1-OD1 3.38Å; F244-D251 WeakPolarHBondContact CE1-OD1 3.44Å; F244-Y252 VanDerWaalsContact C-CE2 3.48Å; F244-Y252 VanDerWaalsContact C-CZ 3.44Å; F244-Y252 PolarHBondContact O-OH 3.38Å
245C93.1Very high78Confident0 Ų084.7 Ų84.70%043%0.427CS..  trans-62.7127.31731740000110.7I247 C248 R249 K250 Y252 C265C245-I247 PolarHBondContact O-N 2.79Å; C245-I247 VanDerWaalsContact O-N 3.15Å; C245-C248 WeakPolarHBondContact CB-SG 3.48Å; C245-C248 VanDerWaalsContact SG-SG 3.61Å; C245-R249 WeakPolarHBondContact O-CA 3.37Å; C245-R249 PolarHBondContact O-N 2.87Å; C245-K250 PolarHBondContact N-O 3.49Å; C245-Y252 VanDerWaalsContact CA-CE1 3.46Å; C245-Y252 HydrophobicContact CB-CD1 3.84Å; C245-Y252 HydrophobicContact CB-CE1 3.74Å; C245-C265 VanDerWaalsContact CB-SG 3.52Å; C245-C265 PolarHBondContact SG-N 3.05Å; C245-C265 VanDerWaalsContact SG-SG 3.65Å
246M89.3Confident80.2Confident57 Ų5776.3 Ų76.328%0.28139%0.388SS..THydrogen-bonded Turntrans-64.1-22.7-176.1-65.9-178.4-76.600113.9F244 H262 F264 Y280 A281F244-M246 PolarHBondContact O-N 3.37Å; M246-H262 HydrophobicContact CE-CB 3.99Å; M246-F264 HydrophobicContact CB-CE1 4.11Å; M246-F264 HydrophobicContact CE-CD1 4.36Å; M246-F264 HydrophobicContact CE-CE1 3.52Å; M246-F264 HydrophobicContact CE-CZ 3.63Å; M246-Y280 HydrophobicContact CB-CD1 3.83Å; M246-Y280 HydrophobicContact CB-CE1 3.98Å; M246-Y280 VanDerWaalsContact O-CE1 3.24Å; M246-Y280 WeakPolarHBondContact O-CE1 3.31Å; M246-A281 HydrophobicContact CE-CB 3.61Å; M246-A281 HydrophobicContact SD-CB 3.88Å
247I92.2Very high82.4Confident51 Ų5169.8 Ų69.826%0.26236%0.36SS..THydrogen-bonded Turntrans-85.5-49.4-177.9-63.5168.3000111.2C245 F264 C268 R272 Y280C245-I247 PolarHBondContact O-N 2.79Å; C245-I247 VanDerWaalsContact O-N 3.15Å; I247-F264 HydrophobicContact CD1-CB 4.38Å; I247-F264 HydrophobicContact CD1-CD1 3.44Å; I247-F264 VanDerWaalsContact CD1-CD1 3.44Å; I247-F264 HydrophobicContact CD1-CE1 3.9Å; I247-F264 HydrophobicContact CD1-CG 4.01Å; I247-F264 HydrophobicContact CG1-CD1 3.71Å; I247-F264 HydrophobicContact CG1-CE1 3.95Å; I247-C268 HydrophobicContact CB-CB 3.87Å; I247-C268 HydrophobicContact CD1-CB 3.79Å; I247-C268 HydrophobicContact CG1-CB 4.41Å; I247-C268 HydrophobicContact CG2-CB 3.88Å; I247-R272 HydrophobicContact CD1-CB 4.18Å; I247-Y280 HydrophobicContact CG1-CD1 4Å; I247-Y280 HydrophobicContact CG1-CD2 4.25Å; I247-Y280 HydrophobicContact CG1-CG 3.83Å
248C92.9Very high84.7Confident42 Ų4268.4 Ų68.428%0.28435%0.345SS..THydrogen-bonded Turntrans-100.7-10.3-175.163.80000114.4C245 K250C245-C248 WeakPolarHBondContact CB-SG 3.48Å; C245-C248 VanDerWaalsContact SG-SG 3.61Å; C248-K250 PolarHBondContact O-N 3.2Å; C248-K250 VanDerWaalsContact O-N 3.17Å
249R89.8Confident86.8Confident208 Ų20869.5 Ų69.579%0.78535%0.353SS*.  trans55.126-175.9-55-178.7-178.9179.1-1.3113.9C245C245-R249 WeakPolarHBondContact O-CA 3.37Å; C245-R249 PolarHBondContact O-N 2.87Å
250K91.2Very high88.5Confident144 Ų14461.7 Ų61.763%0.62632%0.319SS*.SBendtrans-111.2169175.3-64.1174.4-173.9-179.10109.4C245 C248C245-K250 PolarHBondContact N-O 3.49Å; C248-K250 PolarHBondContact O-N 3.2Å; C248-K250 VanDerWaalsContact O-N 3.17Å
251D91.8Very high89.9Confident73 Ų7363.8 Ų63.839%0.3931%0.308SS..PPolyproline II helixtrans-52.7144.2167.4-73.77.3000110.7F244 K253 R304F244-D251 WeakPolarHBondContact CD1-OD1 3.38Å; F244-D251 WeakPolarHBondContact CE1-OD1 3.44Å; D251-K253 PolarHBondContact O-N 3.18Å; D251-R304 IonicContact OD1-CZ 3.04Å; D251-R304 IonicContact OD1-NH2 3.6Å; D251-R304 PolarHBondContact OD1-NH2 2.98Å; D251-R304 IonicContact OD2-CZ 2.77Å; D251-R304 IonicContact OD2-NH1 3.8Å; D251-R304 PolarHBondContact OD2-NH1 3.33Å; D251-R304 VanDerWaalsContact OD2-NH1 3.1Å; D251-R304 IonicContact OD2-NH2 2.78Å; D251-R304 PolarHBondContact OD2-NH2 3.36Å
252Y92.6Very high90.8Very high17 Ų1765.3 Ų65.37%0.06732%0.315CS..PPolyproline II helixtrans-65.6121.6-178.9-68.7-84.8000110.9S242 F244 C245 P255 Y263 L296 I300S242-Y252 VanDerWaalsContact O-CE2 3.26Å; S242-Y252 WeakPolarHBondContact O-CE2 3.5Å; S242-Y252 PolarHBondContact O-OH 3.05Å; F244-Y252 VanDerWaalsContact C-CE2 3.48Å; F244-Y252 VanDerWaalsContact C-CZ 3.44Å; F244-Y252 PolarHBondContact O-OH 3.38Å; C245-Y252 VanDerWaalsContact CA-CE1 3.46Å; C245-Y252 HydrophobicContact CB-CD1 3.84Å; C245-Y252 HydrophobicContact CB-CE1 3.74Å; Y252-P255 HydrophobicContact CD1-CB 4.24Å; Y252-P255 HydrophobicContact CG-CB 4.36Å; Y252-Y263 WeakPolarHBondContact CE1-O 3.47Å; Y252-L296 HydrophobicContact CD1-CD2 4.1Å; Y252-L296 HydrophobicContact CD2-CD2 4.07Å; Y252-L296 HydrophobicContact CE1-CD2 4.22Å; Y252-L296 HydrophobicContact CE2-CD2 4.18Å; Y252-L296 HydrophobicContact CG-CD2 4Å; Y252-I300 HydrophobicContact CD2-CD1 3.36Å; Y252-I300 HydrophobicContact CE2-CD1 3.66Å; Y252-I300 HydrophobicContact CG-CD1 4.38Å
253K89.6Confident91.4Very high148 Ų14865.1 Ų65.164%0.64331%0.307SS*.SBendtrans-102.8119.3165.9-62.1-173.9177.9-169.30107.3D251 C265 S266D251-K253 PolarHBondContact O-N 3.18Å; K253-C265 PolarHBondContact N-SG 3.45Å; K253-C265 VanDerWaalsContact N-SG 3.4Å; K253-C265 VanDerWaalsContact O-CA 3.27Å; K253-C265 WeakPolarHBondContact O-CA 3.38Å; K253-C265 VanDerWaalsContact O-CB 3.24Å; K253-C265 WeakPolarHBondContact O-CB 3.41Å; K253-S266 PolarHBondContact O-N 3.39Å
254D91.8Very high91.8Very high105 Ų10563.8 Ų63.856%0.56130%0.299SS*.SBendtrans45.773.2-175.8-56.3-31.9000112.9S266D254-S266 PolarHBondContact O-N 3.08Å
255P93.8Very high92Very high7 Ų759.4 Ų59.45%0.04528%0.281CS..EExtended strand (participates in β ladder)trans-66139.8-17326.6-33.9000112.3Y252 F264 A293 L296 L297Y252-P255 HydrophobicContact CD1-CB 4.24Å; Y252-P255 HydrophobicContact CG-CB 4.36Å; P255-F264 CarbonylContact C-O 3.6Å; P255-F264 VanDerWaalsContact CA-O 3.29Å; P255-F264 WeakPolarHBondContact CA-O 3.45Å; P255-A293 HydrophobicContact CB-CB 3.99Å; P255-A293 HydrophobicContact CG-CB 4.19Å; P255-A293 WeakPolarHBondContact O-CB 3.24Å; P255-A293 PolarHBondContact O-N 3.42Å; P255-L296 HydrophobicContact CB-CB 4.24Å; P255-L296 HydrophobicContact CB-CD2 3.37Å; P255-L296 HydrophobicContact CB-CG 4.38Å; P255-L296 HydrophobicContact CG-CB 4.1Å; P255-L296 HydrophobicContact CG-CD2 4.04Å; P255-L297 HydrophobicContact CG-CD2 4.3Å; P255-L297 HydrophobicContact CG-CG 4.07Å
256V93.8Very high92Very high6 Ų660.3 Ų60.34%0.03629%0.287CS..EExtended strand (participates in β ladder)trans-124.7141.9176.4-84.70000110.7Y263 F264 A269 F290 K291 F292V256-Y263 WeakPolarHBondContact O-CA 3.35Å; V256-F264 HydrophobicContact CG2-CB 4.47Å; V256-F264 WeakPolarHBondContact CG2-O 3.42Å; V256-F264 PolarHBondContact N-O 3.46Å; V256-F264 PolarHBondContact O-N 3.06Å; V256-F264 VanDerWaalsContact O-N 3.08Å; V256-A269 HydrophobicContact CG2-CB 3.8Å; V256-F290 HydrophobicContact CB-CB 4.28Å; V256-F290 HydrophobicContact CG1-CB 4.29Å; V256-K291 CarbonylContact C-O 3.5Å; V256-K291 VanDerWaalsContact CA-O 3.25Å; V256-K291 WeakPolarHBondContact CA-O 3.3Å; V256-F292 HydrophobicContact CG1-CD1 4Å; V256-F292 HydrophobicContact CG1-CE1 4.27Å; V256-F292 HydrophobicContact CG1-CG 4.46Å
257V92.7Very high92.3Very high31 Ų3162.3 Ų62.319%0.18830%0.299CS..EExtended strand (participates in β ladder)trans-100.9129.5175.4-162.30000109Y263 K291 A293V257-Y263 HydrophobicContact CB-CE1 4.38Å; V257-Y263 HydrophobicContact CG1-CE1 4.19Å; V257-Y263 HydrophobicContact CG2-CD1 3.76Å; V257-Y263 HydrophobicContact CG2-CE1 3.46Å; V257-Y263 VanDerWaalsContact CG2-CE1 3.46Å; V257-K291 PolarHBondContact N-O 3.32Å; V257-K291 PolarHBondContact O-N 3.2Å; V257-A293 HydrophobicContact CG2-CB 3.3Å
258T92.5Very high92.4Very high5 Ų560.4 Ų60.43%0.03129%0.29CS..EExtended strand (participates in β ladder)trans-83.2167169.5560000111.6C260 K261 H262 F264 T286 F290T258-C260 PolarHBondContact O-N 2.95Å; T258-C260 VanDerWaalsContact O-N 3.17Å; T258-C260 PolarHBondContact OG1-SG 3Å; T258-K261 PolarHBondContact O-N 3.21Å; T258-H262 PolarHBondContact N-O 2.99Å; T258-H262 VanDerWaalsContact N-O 3.09Å; T258-H262 PolarHBondContact OG1-N 2.84Å; T258-H262 PolarHBondContact OG1-O 3.36Å; T258-F264 HydrophobicContact CG2-CD2 3.97Å; T258-F264 HydrophobicContact CG2-CE2 3.83Å; T258-T286 HydrophobicContact CG2-CG2 4.05Å; T258-F290 HydrophobicContact CG2-CD1 3.81Å; T258-F290 HydrophobicContact CG2-CE1 3.69Å
259I91.8Very high92.5Very high97 Ų9758.7 Ų58.750%0.49728%0.279SS..THydrogen-bonded Turntrans-51.2-40.2173.2-57.6173.7000111.4K261 T286 K287 F289I259-K261 PolarHBondContact O-N 3.07Å; I259-K261 VanDerWaalsContact O-N 3.17Å; I259-T286 WeakPolarHBondContact CD1-O 3.33Å; I259-K287 HydrophobicContact CD1-CB 4.37Å; I259-F289 HydrophobicContact CD1-CB 3.92Å; I259-F289 HydrophobicContact CG1-CB 3.94Å; I259-F289 HydrophobicContact CG1-CD1 4.03Å; I259-F289 HydrophobicContact CG1-CG 4.34Å
260C90.7Very high92.7Very high31 Ų3153.3 Ų53.321%0.20927%0.265CS..THydrogen-bonded Turntrans-80.221.6177.552.90000114.9T258 H262 C279 C282 T284T258-C260 PolarHBondContact O-N 2.95Å; T258-C260 VanDerWaalsContact O-N 3.17Å; T258-C260 PolarHBondContact OG1-SG 3Å; C260-H262 PolarHBondContact O-CE1 3.44Å; C260-H262 PolarHBondContact O-N 3.24Å; C260-H262 VanDerWaalsContact O-N 3.13Å; C260-H262 PolarHBondContact O-ND1 3.22Å; C260-H262 VanDerWaalsContact O-ND1 3.11Å; C260-H262 PolarHBondContact SG-ND1 3.43Å; C260-C279 PolarHBondContact SG-SG 3.09Å; C260-C282 VanDerWaalsContact CB-SG 3.54Å; C260-C282 PolarHBondContact SG-SG 3Å; C260-T284 WeakPolarHBondContact CB-OG1 3.43Å; C260-T284 PolarHBondContact SG-OG1 2.91Å
261K89.3Confident92.8Very high118 Ų11852.3 Ų52.351%0.51326%0.263SS..SBendtrans57.924.9175-58.4-176.2176.3-174.70115.6E233 T258 I259E233-K261 IonicContact OE2-NZ 2.69Å; E233-K261 PolarHBondContact OE2-NZ 3.29Å; T258-K261 PolarHBondContact O-N 3.21Å; I259-K261 PolarHBondContact O-N 3.07Å; I259-K261 VanDerWaalsContact O-N 3.17Å
262H91.7Very high92.9Very high51 Ų5153.1 Ų53.124%0.23626%0.26CS..  trans-95142.6174-64.8105.7000111.8M246 T258 C260 F264 A281 C282M246-H262 HydrophobicContact CE-CB 3.99Å; T258-H262 PolarHBondContact N-O 2.99Å; T258-H262 VanDerWaalsContact N-O 3.09Å; T258-H262 PolarHBondContact OG1-N 2.84Å; T258-H262 PolarHBondContact OG1-O 3.36Å; C260-H262 PolarHBondContact O-CE1 3.44Å; C260-H262 PolarHBondContact O-N 3.24Å; C260-H262 VanDerWaalsContact O-N 3.13Å; C260-H262 PolarHBondContact O-ND1 3.22Å; C260-H262 VanDerWaalsContact O-ND1 3.11Å; C260-H262 PolarHBondContact SG-ND1 3.43Å; H262-F264 HydrophobicContact CB-CE2 3.62Å; H262-F264 HydrophobicContact CB-CZ 3.83Å; H262-A281 HydrophobicContact CB-CB 4.34Å; H262-A281 WeakPolarHBondContact CD2-CB 3.42Å; H262-A281 WeakPolarHBondContact NE2-CB 3.29Å; H262-C282 VanDerWaalsContact CE1-CB 3.42Å; H262-C282 WeakPolarHBondContact CE1-CB 3.38Å; H262-C282 PolarHBondContact CE1-SG 2.84Å; H262-C282 PolarHBondContact ND1-SG 3.17Å
263Y92.9Very high92.9Very high46 Ų4657.1 Ų57.118%0.1828%0.276CS..EExtended strand (participates in β ladder)trans-102.3133.5-177.2-58.2-81.4000112.4I241 Y252 V256 V257 A293 L296I241-Y263 HydrophobicContact CG1-CE2 4.28Å; Y252-Y263 WeakPolarHBondContact CE1-O 3.47Å; V256-Y263 WeakPolarHBondContact O-CA 3.35Å; V257-Y263 HydrophobicContact CB-CE1 4.38Å; V257-Y263 HydrophobicContact CG1-CE1 4.19Å; V257-Y263 HydrophobicContact CG2-CD1 3.76Å; V257-Y263 HydrophobicContact CG2-CE1 3.46Å; V257-Y263 VanDerWaalsContact CG2-CE1 3.46Å; Y263-A293 HydrophobicContact CD1-CB 4.07Å; Y263-A293 HydrophobicContact CE1-CB 4.15Å; Y263-L296 HydrophobicContact CD1-CB 4.35Å; Y263-L296 HydrophobicContact CD1-CD1 3.66Å; Y263-L296 HydrophobicContact CD1-CD2 3.62Å; Y263-L296 HydrophobicContact CD1-CG 4.06Å; Y263-L296 HydrophobicContact CD2-CD1 3.97Å; Y263-L296 HydrophobicContact CE1-CB 4.38Å; Y263-L296 HydrophobicContact CE1-CD1 3.7Å; Y263-L296 HydrophobicContact CE1-CD2 4.4Å; Y263-L296 HydrophobicContact CE1-CG 4.36Å; Y263-L296 HydrophobicContact CE2-CD1 4.05Å; Y263-L296 HydrophobicContact CG-CD1 3.79Å; Y263-L296 HydrophobicContact CG-CD2 3.79Å; Y263-L296 HydrophobicContact CG-CG 4.39Å
264F93.7Very high93.1Very high4 Ų458.9 Ų58.92%0.01828%0.284CS..EExtended strand (participates in β ladder)trans-141.1165.2176.2-55.1-75000111.5M246 I247 P255 V256 T258 H262 A269 Y280M246-F264 HydrophobicContact CB-CE1 4.11Å; M246-F264 HydrophobicContact CE-CD1 4.36Å; M246-F264 HydrophobicContact CE-CE1 3.52Å; M246-F264 HydrophobicContact CE-CZ 3.63Å; I247-F264 HydrophobicContact CD1-CB 4.38Å; I247-F264 HydrophobicContact CD1-CD1 3.44Å; I247-F264 VanDerWaalsContact CD1-CD1 3.44Å; I247-F264 HydrophobicContact CD1-CE1 3.9Å; I247-F264 HydrophobicContact CD1-CG 4.01Å; I247-F264 HydrophobicContact CG1-CD1 3.71Å; I247-F264 HydrophobicContact CG1-CE1 3.95Å; P255-F264 CarbonylContact C-O 3.6Å; P255-F264 VanDerWaalsContact CA-O 3.29Å; P255-F264 WeakPolarHBondContact CA-O 3.45Å; V256-F264 HydrophobicContact CG2-CB 4.47Å; V256-F264 WeakPolarHBondContact CG2-O 3.42Å; V256-F264 PolarHBondContact N-O 3.46Å; V256-F264 PolarHBondContact O-N 3.06Å; V256-F264 VanDerWaalsContact O-N 3.08Å; T258-F264 HydrophobicContact CG2-CD2 3.97Å; T258-F264 HydrophobicContact CG2-CE2 3.83Å; H262-F264 HydrophobicContact CB-CE2 3.62Å; H262-F264 HydrophobicContact CB-CZ 3.83Å; F264-A269 HydrophobicContact CB-CB 4.26Å; F264-Y280 HydrophobicContact CE1-CD1 4.25Å; F264-Y280 HydrophobicContact CE1-CG 4.4Å
265C94.8Very high93.2Very high6 Ų662.2 Ų62.24%0.04129%0.293CS..EExtended strand (participates in β ladder)trans-70.4148.5164.1-530000110.3C245 K253 D267 C268 A269C245-C265 VanDerWaalsContact CB-SG 3.52Å; C245-C265 PolarHBondContact SG-N 3.05Å; C245-C265 VanDerWaalsContact SG-SG 3.65Å; K253-C265 PolarHBondContact N-SG 3.45Å; K253-C265 VanDerWaalsContact N-SG 3.4Å; K253-C265 VanDerWaalsContact O-CA 3.27Å; K253-C265 WeakPolarHBondContact O-CA 3.38Å; K253-C265 VanDerWaalsContact O-CB 3.24Å; K253-C265 WeakPolarHBondContact O-CB 3.41Å; C265-D267 VanDerWaalsContact C-N 3.35Å; C265-D267 PolarHBondContact O-N 3.48Å; C265-C268 HydrophobicContact CB-CB 4.04Å; C265-C268 PolarHBondContact O-N 3.4Å; C265-C268 VanDerWaalsContact O-N 3.1Å; C265-A269 PolarHBondContact O-N 3.17Å
266S93.2Very high93.2Very high20 Ų2064.5 Ų64.514%0.1431%0.307CS..Hα-helixtrans-49.2-53175.8590000112.2K253 D254 C268 A269 L270K253-S266 PolarHBondContact O-N 3.39Å; D254-S266 PolarHBondContact O-N 3.08Å; S266-C268 VanDerWaalsContact C-N 3.33Å; S266-C268 PolarHBondContact O-N 3.28Å; S266-A269 PolarHBondContact O-N 3.37Å; S266-L270 WeakPolarHBondContact O-CG 3.47Å; S266-L270 PolarHBondContact O-N 3.43Å
267D95.2Very high93Very high98 Ų9866.4 Ų66.452%0.52432%0.324SS..Hα-helixtrans-61.9-40.7179.4-66.3-30000112.3C265 L270 Q271C265-D267 VanDerWaalsContact C-N 3.35Å; C265-D267 PolarHBondContact O-N 3.48Å; D267-L270 PolarHBondContact O-N 2.94Å; D267-Q271 WeakPolarHBondContact O-CB 3.37Å; D267-Q271 VanDerWaalsContact O-CG 3.23Å; D267-Q271 WeakPolarHBondContact O-CG 3.14Å; D267-Q271 PolarHBondContact O-N 3.09Å
268C94.8Very high93.1Very high12 Ų1271.9 Ų71.98%0.08134%0.341CS..Hα-helixtrans-68.4-41.1-179-66.30000111.6I247 C265 S266 R272I247-C268 HydrophobicContact CB-CB 3.87Å; I247-C268 HydrophobicContact CD1-CB 3.79Å; I247-C268 HydrophobicContact CG1-CB 4.41Å; I247-C268 HydrophobicContact CG2-CB 3.88Å; C265-C268 HydrophobicContact CB-CB 4.04Å; C265-C268 PolarHBondContact O-N 3.4Å; C265-C268 VanDerWaalsContact O-N 3.1Å; S266-C268 VanDerWaalsContact C-N 3.33Å; S266-C268 PolarHBondContact O-N 3.28Å; C268-R272 WeakPolarHBondContact O-CB 3.15Å; C268-R272 PolarHBondContact O-N 3.02Å
269A94Very high93.1Very high5 Ų571.9 Ų71.94%0.04134%0.341CS..Hα-helixtrans-62.1-45.3175.500000111V256 F264 C265 S266 R272 Y273 F290V256-A269 HydrophobicContact CG2-CB 3.8Å; F264-A269 HydrophobicContact CB-CB 4.26Å; C265-A269 PolarHBondContact O-N 3.17Å; S266-A269 PolarHBondContact O-N 3.37Å; A269-R272 PolarHBondContact O-N 2.97Å; A269-Y273 WeakPolarHBondContact O-CB 3.26Å; A269-Y273 PolarHBondContact O-N 3.16Å; A269-F290 HydrophobicContact CB-CD1 3.96Å; A269-F290 HydrophobicContact CB-CE1 3.85Å; A269-F290 HydrophobicContact CB-CZ 4.38Å
270L93.8Very high93.1Very high95 Ų9572 Ų7250%0.49734%0.336SS..Hα-helixtrans-66.7-44.2178.5-68.1173.9000112.6S266 D267 R272 Y273 K274S266-L270 WeakPolarHBondContact O-CG 3.47Å; S266-L270 PolarHBondContact O-N 3.43Å; D267-L270 PolarHBondContact O-N 2.94Å; L270-R272 VanDerWaalsContact C-N 3.28Å; L270-R272 PolarHBondContact O-N 3.07Å; L270-Y273 PolarHBondContact O-N 3.24Å; L270-K274 WeakPolarHBondContact O-CG 3.36Å; L270-K274 PolarHBondContact O-N 3.4Å
271Q94Very high93.2Very high123 Ų12372.6 Ų72.658%0.57534%0.343SS*.Hα-helixtrans-61.8-37.8176-76.5178.22.100112D267D267-Q271 WeakPolarHBondContact O-CB 3.37Å; D267-Q271 VanDerWaalsContact O-CG 3.23Å; D267-Q271 WeakPolarHBondContact O-CG 3.14Å; D267-Q271 PolarHBondContact O-N 3.09Å
272R93.3Very high93.3Very high90 Ų9069.1 Ų69.134%0.3433%0.333SS..Hα-helixtrans-70.8-44.5176.8-173.564.2-179-162.81111.2I247 C268 A269 L270 K274 K275 T276I247-R272 HydrophobicContact CD1-CB 4.18Å; C268-R272 WeakPolarHBondContact O-CB 3.15Å; C268-R272 PolarHBondContact O-N 3.02Å; A269-R272 PolarHBondContact O-N 2.97Å; L270-R272 VanDerWaalsContact C-N 3.28Å; L270-R272 PolarHBondContact O-N 3.07Å; R272-K274 VanDerWaalsContact C-N 3.26Å; R272-K274 PolarHBondContact O-N 3.44Å; R272-K275 CarbonylContact O-C 3.59Å; R272-K275 WeakPolarHBondContact O-CA 3.46Å; R272-K275 WeakPolarHBondContact O-CB 3.37Å; R272-K275 PolarHBondContact O-N 3.02Å; R272-T276 CarbonylContact C-O 3.6Å; R272-T276 PolarHBondContact NE-OG1 3.2Å; R272-T276 VanDerWaalsContact NE-OG1 3.1Å; R272-T276 PolarHBondContact O-N 3.5Å
273Y94Very high93.2Very high102 Ų10271.4 Ų71.440%0.435%0.351SS..Hα-helixtrans-58.2-39.1178.9-174.3-104.5000112.2A269 L270 K275 T276 A277 F290A269-Y273 WeakPolarHBondContact O-CB 3.26Å; A269-Y273 PolarHBondContact O-N 3.16Å; L270-Y273 PolarHBondContact O-N 3.24Å; Y273-K275 PolarHBondContact O-N 2.7Å; Y273-T276 WeakPolarHBondContact CA-O 3.25Å; Y273-T276 CarbonylContact O-C 3.52Å; Y273-T276 PolarHBondContact O-N 3.25Å; Y273-A277 HydrophobicContact CD2-CB 4.39Å; Y273-A277 HydrophobicContact CE2-CB 4.01Å; Y273-F290 HydrophobicContact CD2-CE2 4.18Å; Y273-F290 HydrophobicContact CD2-CZ 4.24Å; Y273-F290 HydrophobicContact CG-CE2 4.25Å; Y273-F290 HydrophobicContact CG-CZ 4.47Å
274K93.5Very high93.2Very high185 Ų18572.2 Ų72.280%0.80436%0.361SS*.Hα-helixtrans-59.3-31172.4-73.3178.2-178.5-176.10113.6L270 R272L270-K274 WeakPolarHBondContact O-CG 3.36Å; L270-K274 PolarHBondContact O-N 3.4Å; R272-K274 VanDerWaalsContact C-N 3.26Å; R272-K274 PolarHBondContact O-N 3.44Å
275K93.1Very high93.1Very high174 Ų17476.5 Ų76.576%0.75738%0.384SS*.Hα-helixtrans-87.9-44.7178-66.2-177.1179.3-175.10112R272 Y273R272-K275 CarbonylContact O-C 3.59Å; R272-K275 WeakPolarHBondContact O-CA 3.46Å; R272-K275 WeakPolarHBondContact O-CB 3.37Å; R272-K275 PolarHBondContact O-N 3.02Å; Y273-K275 PolarHBondContact O-N 2.7Å
276T93.7Very high92.8Very high55 Ų5576.4 Ų76.434%0.33738%0.383SS..  trans-151132.3-175.758.20000109.4R272 Y273 R278R272-T276 CarbonylContact C-O 3.6Å; R272-T276 PolarHBondContact NE-OG1 3.2Å; R272-T276 VanDerWaalsContact NE-OG1 3.1Å; R272-T276 PolarHBondContact O-N 3.5Å; Y273-T276 WeakPolarHBondContact CA-O 3.25Å; Y273-T276 CarbonylContact O-C 3.52Å; Y273-T276 PolarHBondContact O-N 3.25Å; T276-R278 PolarHBondContact O-N 3.46Å
277A91.4Very high92.6Very high47 Ų4784 Ų8439%0.38841%0.413SS..SBendtrans-68.9-2.4175.300000114.6Y273 T286Y273-A277 HydrophobicContact CD2-CB 4.39Å; Y273-A277 HydrophobicContact CE2-CB 4.01Å; A277-T286 PolarHBondContact O-N 3.1Å; A277-T286 PolarHBondContact O-OG1 3.16Å
278R92.9Very high92.3Very high146 Ų14680.9 Ų80.955%0.55141%0.405SS*.BIsolated β-bridgetrans-88.6147.3-177.6-70.5178.7-175.2173.43.4113.2T276 T283 T284 D285T276-R278 PolarHBondContact O-N 3.46Å; R278-T283 WeakPolarHBondContact CB-O 3.4Å; R278-T283 WeakPolarHBondContact CD-O 3.49Å; R278-T283 WeakPolarHBondContact CG-O 3.43Å; R278-T284 CarbonylContact C-O 3.55Å; R278-T284 WeakPolarHBondContact CA-O 3.19Å; R278-D285 WeakPolarHBondContact CG-OD1 3.32Å; R278-D285 IonicContact NE-OD1 3.5Å
279C93.8Very high92.1Very high4 Ų486.5 Ų86.53%0.02743%0.428CS..  trans-63.1146.8173.6-1750000111C260 T283 T284 T286C260-C279 PolarHBondContact SG-SG 3.09Å; C279-T283 VanDerWaalsContact O-CA 3.3Å; C279-T283 WeakPolarHBondContact O-CA 3.45Å; C279-T283 PolarHBondContact O-N 3.19Å; C279-T284 WeakPolarHBondContact CB-O 3.37Å; C279-T284 PolarHBondContact N-O 3.34Å; C279-T286 HydrophobicContact CB-CG2 3.88Å
280Y92.5Very high92.1Very high99 Ų9988.6 Ų88.639%0.38844%0.437SS..THydrogen-bonded Turntrans-73.2-31.2179.2-176.7-102.2000113.4M246 I247 F264M246-Y280 HydrophobicContact CB-CD1 3.83Å; M246-Y280 HydrophobicContact CB-CE1 3.98Å; M246-Y280 VanDerWaalsContact O-CE1 3.24Å; M246-Y280 WeakPolarHBondContact O-CE1 3.31Å; I247-Y280 HydrophobicContact CG1-CD1 4Å; I247-Y280 HydrophobicContact CG1-CD2 4.25Å; I247-Y280 HydrophobicContact CG1-CG 3.83Å; F264-Y280 HydrophobicContact CE1-CD1 4.25Å; F264-Y280 HydrophobicContact CE1-CG 4.4Å
281A91.1Very high92.1Very high44 Ų4491 Ų9136%0.36444%0.443SS..THydrogen-bonded Turntrans-88.7-52.6-173.800000113.5M246 H262M246-A281 HydrophobicContact CE-CB 3.61Å; M246-A281 HydrophobicContact SD-CB 3.88Å; H262-A281 HydrophobicContact CB-CB 4.34Å; H262-A281 WeakPolarHBondContact CD2-CB 3.42Å; H262-A281 WeakPolarHBondContact NE2-CB 3.29Å
282C91.4Very high92Very high46 Ų4691.8 Ų91.831%0.31145%0.445SS..THydrogen-bonded Turntrans-109.54.3-174.759.30000114.2C260 H262 T284C260-C282 VanDerWaalsContact CB-SG 3.54Å; C260-C282 PolarHBondContact SG-SG 3Å; H262-C282 VanDerWaalsContact CE1-CB 3.42Å; H262-C282 WeakPolarHBondContact CE1-CB 3.38Å; H262-C282 PolarHBondContact CE1-SG 2.84Å; H262-C282 PolarHBondContact ND1-SG 3.17Å; C282-T284 HydrophobicContact CB-CG2 4.29Å; C282-T284 PolarHBondContact O-N 3.43Å; C282-T284 PolarHBondContact SG-OG1 3.35Å
283T90.5Very high91.8Very high98 Ų9888 Ų8860%0.60143%0.432SS*.  trans56.88.8-179.467.40000117R278 C279R278-T283 WeakPolarHBondContact CB-O 3.4Å; R278-T283 WeakPolarHBondContact CD-O 3.49Å; R278-T283 WeakPolarHBondContact CG-O 3.43Å; C279-T283 VanDerWaalsContact O-CA 3.3Å; C279-T283 WeakPolarHBondContact O-CA 3.45Å; C279-T283 PolarHBondContact O-N 3.19Å
284T92.4Very high91.4Very high63 Ų6391.8 Ų91.839%0.38745%0.451SS..  trans-67144.6173.862.40000112.1C260 R278 C279 C282 T286C260-T284 WeakPolarHBondContact CB-OG1 3.43Å; C260-T284 PolarHBondContact SG-OG1 2.91Å; R278-T284 CarbonylContact C-O 3.55Å; R278-T284 WeakPolarHBondContact CA-O 3.19Å; C279-T284 WeakPolarHBondContact CB-O 3.37Å; C279-T284 PolarHBondContact N-O 3.34Å; C282-T284 HydrophobicContact CB-CG2 4.29Å; C282-T284 PolarHBondContact O-N 3.43Å; C282-T284 PolarHBondContact SG-OG1 3.35Å; T284-T286 PolarHBondContact O-N 3.06Å
285D92.4Very high90.7Very high94 Ų9488 Ų8850%0.50344%0.439SS..BIsolated β-bridgetrans-66.1119.9175.2-65.5-37.9000111.1R278 K287R278-D285 WeakPolarHBondContact CG-OD1 3.32Å; R278-D285 IonicContact NE-OD1 3.5Å; D285-K287 VanDerWaalsContact C-N 3.27Å; D285-K287 PolarHBondContact O-N 3.2Å
286T88.7Confident90.3Very high4 Ų479.8 Ų79.83%0.02540%0.404CS..  trans-78.5-11.6-175.957.30000113.5T258 I259 A277 C279 T284 G288 F289 F290T258-T286 HydrophobicContact CG2-CG2 4.05Å; I259-T286 WeakPolarHBondContact CD1-O 3.33Å; A277-T286 PolarHBondContact O-N 3.1Å; A277-T286 PolarHBondContact O-OG1 3.16Å; C279-T286 HydrophobicContact CB-CG2 3.88Å; T284-T286 PolarHBondContact O-N 3.06Å; T286-G288 PolarHBondContact O-N 2.77Å; T286-F289 PolarHBondContact O-N 3.05Å; T286-F290 HydrophobicContact CG2-CE1 4.38Å; T286-F290 HydrophobicContact CG2-CZ 4.5Å
287K89.1Confident89.9Confident179 Ų17981.1 Ų81.178%0.77841%0.408SS*.THydrogen-bonded Turntrans51.719.4-176.1-57.7-177.7-179.2179.90114.4I259 D285 F289I259-K287 HydrophobicContact CD1-CB 4.37Å; D285-K287 VanDerWaalsContact C-N 3.27Å; D285-K287 PolarHBondContact O-N 3.2Å; K287-F289 VanDerWaalsContact C-N 3.27Å; K287-F289 PolarHBondContact O-N 3.07Å
288G87.9Confident89.6Confident34 Ų3482.3 Ų82.335%0.35141%0.414SS..THydrogen-bonded Turntrans75.39.8-176.800000114.9T286T286-G288 PolarHBondContact O-N 2.77Å
289F91.5Very high89Confident129 Ų12978.3 Ų78.357%0.56640%0.399SS*.  trans-92.6111.6-178-164.2-93.6000111.3I259 T286 K287I259-F289 HydrophobicContact CD1-CB 3.92Å; I259-F289 HydrophobicContact CG1-CB 3.94Å; I259-F289 HydrophobicContact CG1-CD1 4.03Å; I259-F289 HydrophobicContact CG1-CG 4.34Å; T286-F289 PolarHBondContact O-N 3.05Å; K287-F289 VanDerWaalsContact C-N 3.27Å; K287-F289 PolarHBondContact O-N 3.07Å
290F92.7Very high88.7Confident50 Ų5078.4 Ų78.422%0.21940%0.399CS..EExtended strand (participates in β ladder)trans-129.8117.1177.6-58.2-78.6000109.7V256 T258 A269 Y273 T286V256-F290 HydrophobicContact CB-CB 4.28Å; V256-F290 HydrophobicContact CG1-CB 4.29Å; T258-F290 HydrophobicContact CG2-CD1 3.81Å; T258-F290 HydrophobicContact CG2-CE1 3.69Å; A269-F290 HydrophobicContact CB-CD1 3.96Å; A269-F290 HydrophobicContact CB-CE1 3.85Å; A269-F290 HydrophobicContact CB-CZ 4.38Å; Y273-F290 HydrophobicContact CD2-CE2 4.18Å; Y273-F290 HydrophobicContact CD2-CZ 4.24Å; Y273-F290 HydrophobicContact CG-CE2 4.25Å; Y273-F290 HydrophobicContact CG-CZ 4.47Å; T286-F290 HydrophobicContact CG2-CE1 4.38Å; T286-F290 HydrophobicContact CG2-CZ 4.5Å
291K93.4Very high88.3Confident145 Ų14577.9 Ų77.963%0.6340%0.403SS*.EExtended strand (participates in β ladder)trans-100.8135.5178.6-175.2178.4179.3-178.60110.1V256 V257 A293V256-K291 CarbonylContact C-O 3.5Å; V256-K291 VanDerWaalsContact CA-O 3.25Å; V256-K291 WeakPolarHBondContact CA-O 3.3Å; V257-K291 PolarHBondContact N-O 3.32Å; V257-K291 PolarHBondContact O-N 3.2Å; K291-A293 PolarHBondContact O-N 2.69Å
292F93.4Very high87.9Confident140 Ų14080.2 Ų80.261%0.61441%0.407SS*.EExtended strand (participates in β ladder)trans-63126.9174.1-72.8-76.3000111.8V256 K294V256-F292 HydrophobicContact CG1-CD1 4Å; V256-F292 HydrophobicContact CG1-CE1 4.27Å; V256-F292 HydrophobicContact CG1-CG 4.46Å; F292-K294 PolarHBondContact O-N 3.22Å
293A88.5Confident87.5Confident9 Ų979.3 Ų79.37%0.07440%0.399CS..  trans-92.267.5-174.900000111.1P255 V257 Y263 K291 N295 L296P255-A293 HydrophobicContact CB-CB 3.99Å; P255-A293 HydrophobicContact CG-CB 4.19Å; P255-A293 WeakPolarHBondContact O-CB 3.24Å; P255-A293 PolarHBondContact O-N 3.42Å; V257-A293 HydrophobicContact CG2-CB 3.3Å; Y263-A293 HydrophobicContact CD1-CB 4.07Å; Y263-A293 HydrophobicContact CE1-CB 4.15Å; K291-A293 PolarHBondContact O-N 2.69Å; A293-N295 PolarHBondContact O-N 3.02Å; A293-N295 VanDerWaalsContact O-N 3.07Å; A293-L296 HydrophobicContact CB-CB 3.9Å; A293-L296 WeakPolarHBondContact O-CB 3.24Å; A293-L296 PolarHBondContact O-N 3.41Å
294K84.6Confident87.2Confident182 Ų18278.6 Ų78.679%0.79139%0.386SS*.Hα-helixtrans-54.5-31.6-177.8-63.8-176.3179.9-178.10113.2F292F292-K294 PolarHBondContact O-N 3.22Å
295N80.7Confident86.7Confident105 Ų10581.4 Ų81.456%0.56139%0.394SS*.Hα-helixtrans-84.2-12.4-175.9-58.3-12.4000113.5A293 R299A293-N295 PolarHBondContact O-N 3.02Å; A293-N295 VanDerWaalsContact O-N 3.07Å; N295-R299 WeakPolarHBondContact O-CG 3.27Å; N295-R299 PolarHBondContact O-N 2.78Å
296L83.9Confident86.1Confident2 Ų283.1 Ų83.11%0.0140%0.397CS..Hα-helixtrans-69.5-42.8-173.4-173.970.1000112.1I241 Y252 P255 Y263 A293 S298 R299 I300I241-L296 HydrophobicContact CG2-CD1 3.56Å; Y252-L296 HydrophobicContact CD1-CD2 4.1Å; Y252-L296 HydrophobicContact CD2-CD2 4.07Å; Y252-L296 HydrophobicContact CE1-CD2 4.22Å; Y252-L296 HydrophobicContact CE2-CD2 4.18Å; Y252-L296 HydrophobicContact CG-CD2 4Å; P255-L296 HydrophobicContact CB-CB 4.24Å; P255-L296 HydrophobicContact CB-CD2 3.37Å; P255-L296 HydrophobicContact CB-CG 4.38Å; P255-L296 HydrophobicContact CG-CB 4.1Å; P255-L296 HydrophobicContact CG-CD2 4.04Å; Y263-L296 HydrophobicContact CD1-CB 4.35Å; Y263-L296 HydrophobicContact CD1-CD1 3.66Å; Y263-L296 HydrophobicContact CD1-CD2 3.62Å; Y263-L296 HydrophobicContact CD1-CG 4.06Å; Y263-L296 HydrophobicContact CD2-CD1 3.97Å; Y263-L296 HydrophobicContact CE1-CB 4.38Å; Y263-L296 HydrophobicContact CE1-CD1 3.7Å; Y263-L296 HydrophobicContact CE1-CD2 4.4Å; Y263-L296 HydrophobicContact CE1-CG 4.36Å; Y263-L296 HydrophobicContact CE2-CD1 4.05Å; Y263-L296 HydrophobicContact CG-CD1 3.79Å; Y263-L296 HydrophobicContact CG-CD2 3.79Å; Y263-L296 HydrophobicContact CG-CG 4.39Å; A293-L296 HydrophobicContact CB-CB 3.9Å; A293-L296 WeakPolarHBondContact O-CB 3.24Å; A293-L296 PolarHBondContact O-N 3.41Å; L296-S298 VanDerWaalsContact C-N 3.34Å; L296-S298 PolarHBondContact O-N 3.23Å; L296-R299 PolarHBondContact O-N 3.17Å; L296-I300 HydrophobicContact CD1-CD1 4.26Å; L296-I300 HydrophobicContact CD1-CG1 4.44Å; L296-I300 HydrophobicContact CD2-CD1 4.06Å; L296-I300 HydrophobicContact CG-CD1 3.75Å; L296-I300 HydrophobicContact CG-CG1 4.29Å; L296-I300 WeakPolarHBondContact O-CG1 3.47Å; L296-I300 PolarHBondContact O-N 3.09Å
297L84.6Confident85.4Confident83 Ų8388.6 Ų88.644%0.43542%0.421SS..Hα-helixtrans-62.1-43-178-65.7173.9000111.4P255 R299 I300 N301P255-L297 HydrophobicContact CG-CD2 4.3Å; P255-L297 HydrophobicContact CG-CG 4.07Å; L297-R299 VanDerWaalsContact C-N 3.34Å; L297-R299 PolarHBondContact O-N 2.92Å; L297-I300 PolarHBondContact O-N 3.03Å; L297-N301 VanDerWaalsContact O-CG 3.3Å; L297-N301 PolarHBondContact O-N 3.17Å
298S84.6Confident84.8Confident72 Ų7286.6 Ų86.650%0.50341%0.412SS..Hα-helixtrans-62-41.2175.7-50.70000112.1L296 N301 M302L296-S298 VanDerWaalsContact C-N 3.34Å; L296-S298 PolarHBondContact O-N 3.23Å; S298-N301 PolarHBondContact O-N 3.35Å; S298-M302 PolarHBondContact O-N 2.79Å
299R82.3Confident83.6Confident63 Ų6392 Ų9224%0.23843%0.428CS..Hα-helixtrans-65.6-41.9176.9-71.3176.2-177.9-176.4-2.5112.3I241 N295 L296 L297 N301 M302 L303I241-R299 HydrophobicContact CD1-CB 4.4Å; N295-R299 WeakPolarHBondContact O-CG 3.27Å; N295-R299 PolarHBondContact O-N 2.78Å; L296-R299 PolarHBondContact O-N 3.17Å; L297-R299 VanDerWaalsContact C-N 3.34Å; L297-R299 PolarHBondContact O-N 2.92Å; R299-N301 VanDerWaalsContact C-N 3.35Å; R299-N301 PolarHBondContact O-N 3.11Å; R299-M302 PolarHBondContact O-N 2.78Å; R299-L303 WeakPolarHBondContact O-CG 3.45Å; R299-L303 PolarHBondContact O-N 3.3Å; R299-L303 VanDerWaalsContact O-N 3.08Å
300I85.8Confident82Confident6 Ų688.6 Ų88.63%0.03142%0.42CS..Hα-helixtrans-64.8-40.2177.5-69.8171.5000111.2I241 L243 Y252 L296 L297 L303 R304I241-I300 HydrophobicContact CG2-CG1 4.45Å; L243-I300 HydrophobicContact CD2-CG2 4.09Å; Y252-I300 HydrophobicContact CD2-CD1 3.36Å; Y252-I300 HydrophobicContact CE2-CD1 3.66Å; Y252-I300 HydrophobicContact CG-CD1 4.38Å; L296-I300 HydrophobicContact CD1-CD1 4.26Å; L296-I300 HydrophobicContact CD1-CG1 4.44Å; L296-I300 HydrophobicContact CD2-CD1 4.06Å; L296-I300 HydrophobicContact CG-CD1 3.75Å; L296-I300 HydrophobicContact CG-CG1 4.29Å; L296-I300 WeakPolarHBondContact O-CG1 3.47Å; L296-I300 PolarHBondContact O-N 3.09Å; L297-I300 PolarHBondContact O-N 3.03Å; I300-L303 PolarHBondContact O-N 3.09Å; I300-R304 HydrophobicContact CG2-CG 4.4Å; I300-R304 WeakPolarHBondContact O-CG 3.32Å; I300-R304 PolarHBondContact O-N 3.21Å
301N85.4Confident80.3Confident88 Ų8892.3 Ų92.347%0.47144%0.438SS..Hα-helixtrans-61.9-46177.2-71.6-11.7000111.4L297 S298 R299 L303 R304 E305L297-N301 VanDerWaalsContact O-CG 3.3Å; L297-N301 PolarHBondContact O-N 3.17Å; S298-N301 PolarHBondContact O-N 3.35Å; R299-N301 VanDerWaalsContact C-N 3.35Å; R299-N301 PolarHBondContact O-N 3.11Å; N301-L303 VanDerWaalsContact C-N 3.32Å; N301-L303 PolarHBondContact O-N 3.21Å; N301-R304 PolarHBondContact O-N 3.13Å; N301-R304 VanDerWaalsContact O-N 3.16Å; N301-E305 WeakPolarHBondContact O-CG 3.5Å; N301-E305 PolarHBondContact O-N 3.33Å
302M83.1Confident78.4Confident92 Ų9290.7 Ų90.745%0.45344%0.436SS..Hα-helixtrans-59.5-40.3175.2-72.5-171.9-93.600112.6S298 R299 E305 K306S298-M302 PolarHBondContact O-N 2.79Å; R299-M302 PolarHBondContact O-N 2.78Å; M302-E305 PolarHBondContact O-N 2.85Å; M302-K306 WeakPolarHBondContact O-CG 3.39Å; M302-K306 PolarHBondContact O-N 3.08Å
303L81.5Confident76.4Confident28 Ų2887 Ų8715%0.14743%0.428CS..Hα-helixtrans-67.6-36.5176.8-71.8170.4000112.6F238 I241 L243 R299 I300 N301 K307F238-L303 HydrophobicContact CD1-CD2 4.3Å; F238-L303 HydrophobicContact CE1-CD2 3.55Å; F238-L303 HydrophobicContact CE2-CD2 4.24Å; F238-L303 HydrophobicContact CZ-CD2 3.51Å; F238-L303 HydrophobicContact CZ-CG 4.12Å; I241-L303 HydrophobicContact CB-CD1 4.43Å; L243-L303 HydrophobicContact CD2-CB 4.16Å; R299-L303 WeakPolarHBondContact O-CG 3.45Å; R299-L303 PolarHBondContact O-N 3.3Å; R299-L303 VanDerWaalsContact O-N 3.08Å; I300-L303 PolarHBondContact O-N 3.09Å; N301-L303 VanDerWaalsContact C-N 3.32Å; N301-L303 PolarHBondContact O-N 3.21Å; L303-K307 PolarHBondContact O-N 3.15Å
304R84Confident74.6Confident82 Ų8291.4 Ų91.431%0.30945%0.447SS..Hα-helixtrans-66.8-40175-73.9176.2179.4-166.8-5.4111.6L243 D251 I300 N301 K307 K308L243-R304 HydrophobicContact CD2-CG 4.32Å; D251-R304 IonicContact OD1-CZ 3.04Å; D251-R304 IonicContact OD1-NH2 3.6Å; D251-R304 PolarHBondContact OD1-NH2 2.98Å; D251-R304 IonicContact OD2-CZ 2.77Å; D251-R304 IonicContact OD2-NH1 3.8Å; D251-R304 PolarHBondContact OD2-NH1 3.33Å; D251-R304 VanDerWaalsContact OD2-NH1 3.1Å; D251-R304 IonicContact OD2-NH2 2.78Å; D251-R304 PolarHBondContact OD2-NH2 3.36Å; I300-R304 HydrophobicContact CG2-CG 4.4Å; I300-R304 WeakPolarHBondContact O-CG 3.32Å; I300-R304 PolarHBondContact O-N 3.21Å; N301-R304 PolarHBondContact O-N 3.13Å; N301-R304 VanDerWaalsContact O-N 3.16Å; R304-K307 PolarHBondContact O-N 2.78Å; R304-K308 WeakPolarHBondContact O-CG 3.23Å; R304-K308 PolarHBondContact O-N 3.34Å; R304-K308 VanDerWaalsContact O-N 3.09Å
305E83.1Confident72.6Confident123 Ų12385.3 Ų85.358%0.57543%0.427SS*.Hα-helixtrans-66-44.1176.7-73.1172.6178.100112N301 M302 K307 K308 H309N301-E305 WeakPolarHBondContact O-CG 3.5Å; N301-E305 PolarHBondContact O-N 3.33Å; M302-E305 PolarHBondContact O-N 2.85Å; E305-K307 VanDerWaalsContact C-N 3.31Å; E305-K307 PolarHBondContact O-N 3.17Å; E305-K308 PolarHBondContact O-N 3.4Å; E305-H309 PolarHBondContact O-N 3.25Å
306K79.4Confident71.1Confident129 Ų12986.6 Ų86.656%0.56143%0.434SS*.Hα-helixtrans-57.9-41.7174.8-75-178.2177.9-1720112.3F238 M302 H309 S310F238-K306 HydrophobicContact CE1-CD 4.31Å; F238-K306 HydrophobicContact CZ-CD 4.23Å; M302-K306 WeakPolarHBondContact O-CG 3.39Å; M302-K306 PolarHBondContact O-N 3.08Å; K306-H309 PolarHBondContact O-N 2.91Å; K306-S310 PolarHBondContact O-N 3.33Å
307K74.4Confident69.2Low119 Ų11993.8 Ų93.852%0.51747%0.468SS..Hα-helixtrans-65.9-43.4176.3-75-172.3176.5-168.20112.9L243 L303 R304 E305 H309 S310 E311L243-K307 HydrophobicContact CD1-CD 4.44Å; L303-K307 PolarHBondContact O-N 3.15Å; R304-K307 PolarHBondContact O-N 2.78Å; E305-K307 VanDerWaalsContact C-N 3.31Å; E305-K307 PolarHBondContact O-N 3.17Å; K307-H309 VanDerWaalsContact C-N 3.33Å; K307-H309 PolarHBondContact O-N 3.25Å; K307-S310 WeakPolarHBondContact O-CB 3.06Å; K307-S310 PolarHBondContact O-N 3.36Å; K307-E311 WeakPolarHBondContact O-CG 3.36Å; K307-E311 PolarHBondContact O-N 3.03Å
308K75.2Confident67.1Low137 Ų13795.2 Ų95.260%0.59647%0.472SS*.Hα-helixtrans-62.1-40176.1-72.8179178.9-1750112.2R304 E305 S310 E311 L312R304-K308 WeakPolarHBondContact O-CG 3.23Å; R304-K308 PolarHBondContact O-N 3.34Å; R304-K308 VanDerWaalsContact O-N 3.09Å; E305-K308 PolarHBondContact O-N 3.4Å; K308-S310 VanDerWaalsContact C-N 3.34Å; K308-E311 PolarHBondContact O-N 3.42Å; K308-L312 WeakPolarHBondContact O-CB 3.33Å; K308-L312 WeakPolarHBondContact O-CD1 3.34Å; K308-L312 PolarHBondContact O-N 3.02Å
309H62.9Low64.9Low147 Ų14799 Ų9968%0.68149%0.486SS*.Hα-helixtrans-66.7-34.8176-101.8-77.6000112.8E305 K306 K307 S313E305-H309 PolarHBondContact O-N 3.25Å; K306-H309 PolarHBondContact O-N 2.91Å; K307-H309 VanDerWaalsContact C-N 3.33Å; K307-H309 PolarHBondContact O-N 3.25Å; H309-S313 WeakPolarHBondContact O-CB 3.33Å; H309-S313 PolarHBondContact O-N 3.16Å; H309-S313 VanDerWaalsContact O-N 3.13Å; H309-S313 PolarHBondContact O-OG 2.93Å; H309-S313 VanDerWaalsContact O-OG 3.13Å
310S58.4Low62.9Low59 Ų59105.1 Ų105.141%0.41352%0.518SS..Hα-helixtrans-63-50.4172.3-1690000111.3K306 K307 K308 L312 S313 E314K306-S310 PolarHBondContact O-N 3.33Å; K307-S310 WeakPolarHBondContact O-CB 3.06Å; K307-S310 PolarHBondContact O-N 3.36Å; K308-S310 VanDerWaalsContact C-N 3.34Å; S310-L312 PolarHBondContact O-N 3.47Å; S310-S313 PolarHBondContact O-N 3.3Å; S310-S313 PolarHBondContact O-OG 3Å; S310-E314 PolarHBondContact O-N 3.32Å; S310-E314 VanDerWaalsContact O-N 3.09Å
311E57Low60.7Low127 Ų127112.3 Ų112.359%0.59355%0.551SS**Hα-helixtrans-65.7-37.4-177.9-71.1172.1-178.600112.7K307 K308 E314 S315K307-E311 WeakPolarHBondContact O-CG 3.36Å; K307-E311 PolarHBondContact O-N 3.03Å; K308-E311 PolarHBondContact O-N 3.42Å; E311-E314 PolarHBondContact O-N 3.43Å; E311-S315 PolarHBondContact O-N 3.1Å; E311-S315 PolarHBondContact O-OG 3.36Å
312L54.2Low58.3Low111 Ų111116.5 Ų116.558%0.58157%0.567SS**Hα-helixtrans-70.6-31174.7-96128.1000113.2K308 S310 E314 S315K308-L312 WeakPolarHBondContact O-CB 3.33Å; K308-L312 WeakPolarHBondContact O-CD1 3.34Å; K308-L312 PolarHBondContact O-N 3.02Å; S310-L312 PolarHBondContact O-N 3.47Å; L312-E314 VanDerWaalsContact C-N 3.33Å; L312-S315 WeakPolarHBondContact CA-OG 3.38Å; L312-S315 PolarHBondContact O-OG 3.45Å; L312-S315 VanDerWaalsContact O-OG 3.06Å
313S50.6Low56Low63 Ų63117.5 Ų117.544%0.44158%0.583SS.*Hα-helixtrans-77-21.3175.767.70000113.5H309 S310H309-S313 WeakPolarHBondContact O-CB 3.33Å; H309-S313 PolarHBondContact O-N 3.16Å; H309-S313 VanDerWaalsContact O-N 3.13Å; H309-S313 PolarHBondContact O-OG 2.93Å; H309-S313 VanDerWaalsContact O-OG 3.13Å; S310-S313 PolarHBondContact O-N 3.3Å; S310-S313 PolarHBondContact O-OG 3Å
314E49.8Very low53.6Low102 Ų102122.8 Ų122.848%0.47762%0.621SS.*Hα-helixtrans-84-36.2173.4-76.2174.5150.300111.6S310 E311 L312 D316 Q317 E318S310-E314 PolarHBondContact O-N 3.32Å; S310-E314 VanDerWaalsContact O-N 3.09Å; E311-E314 PolarHBondContact O-N 3.43Å; L312-E314 VanDerWaalsContact C-N 3.33Å; E314-D316 VanDerWaalsContact C-N 3.33Å; E314-D316 PolarHBondContact O-N 3.46Å; E314-Q317 PolarHBondContact O-N 3Å; E314-Q317 VanDerWaalsContact O-N 3.08Å; E314-E318 WeakPolarHBondContact O-CG 3.37Å; E314-E318 PolarHBondContact O-N 2.9Å; E314-E318 VanDerWaalsContact O-N 3.12Å
315S44.5Very low51.2Low54 Ų54123.4 Ų123.438%0.37864%0.638SS.*Hα-helixtrans-65.3-31.117857.90000114.2E311 L312 Q317E311-S315 PolarHBondContact O-N 3.1Å; E311-S315 PolarHBondContact O-OG 3.36Å; L312-S315 WeakPolarHBondContact CA-OG 3.38Å; L312-S315 PolarHBondContact O-OG 3.45Å; L312-S315 VanDerWaalsContact O-OG 3.06Å; S315-Q317 PolarHBondContact O-N 2.96Å
316D47.8Very low49.1Very low131 Ų131126.2 Ų126.270%0.70165%0.651SS**Hα-helixtrans-77.7-6.7176.1-72.1-19.8000113.2E314E314-D316 VanDerWaalsContact C-N 3.33Å; E314-D316 PolarHBondContact O-N 3.46Å
317Q44.1Very low47.2Very low154 Ų154125 Ų12572%0.7266%0.659SS**Hα-helixtrans-108.4-14.5175.8-64.3-173.721.200113.2E314 S315E314-Q317 PolarHBondContact O-N 3Å; E314-Q317 VanDerWaalsContact O-N 3.08Å; S315-Q317 PolarHBondContact O-N 2.96Å
318E40.1Very low45.3Very low112 Ų112125.5 Ų125.552%0.52367%0.674SS.*Hα-helixtrans-87.6-16.3-178.7-74-177.1173.100114.2E314 Q320 H321E314-E318 WeakPolarHBondContact O-CG 3.37Å; E314-E318 PolarHBondContact O-N 2.9Å; E314-E318 VanDerWaalsContact O-N 3.12Å; E318-Q320 PolarHBondContact O-N 3.41Å; E318-Q320 VanDerWaalsContact O-N 3.08Å; E318-H321 PolarHBondContact O-N 2.76Å
319D39.3Very low43.6Very low151 Ų151125.4 Ų125.481%0.80769%0.685SS**THydrogen-bonded Turntrans-73.34.6173.4-79.2-23.4000114.3
320Q40.5Very low42.2Very low192 Ų192126.7 Ų126.790%0.89769%0.691SS**THydrogen-bonded Turntrans-113.97.8165.4-69.4-17836.700113.5E318E318-Q320 PolarHBondContact O-N 3.41Å; E318-Q320 VanDerWaalsContact O-N 3.08Å
321H40.1Very low41.1Very low157 Ų157130 Ų13073%0.72771%0.712SS**SBendtrans-136.637.9-172.9-147-95.6000114.7E318E318-H321 PolarHBondContact O-N 2.76Å
322H34.9Very low40.1Very low177 Ų177132.8 Ų132.882%0.81973%0.725SS**  trans-135.280.9169.4-92.5-5.3000113
323S33.2Very low39.4Very low113 Ų113131.1 Ų131.179%0.7974%0.735SS**  trans-153.186.5153.772.70000110.6
324C32.9Very low38.8Very low138 Ų138136.9 Ų136.993%0.93276%0.755SS**  trans163.385.9142.1-960000110.3
325S32.6Very low38.4Very low96 Ų96140.5 Ų140.567%0.67177%0.772SS**  trans-126.9153.7154.341.80000108.1
326H39Very low38.1Very low181 Ų181142.7 Ų142.784%0.83879%0.787SS**  trans86.6117.7-169.9-47.3-66.2000113.1
327S38.8Very low37.8Very low105 Ų105142.4 Ų142.473%0.73479%0.786SS**  cis-154.615544.7-53.70000113.5
328P36.4Very low37.9Very low128 Ų128144.5 Ų144.583%0.83179%0.792SS**  trans-78.9133.6173.19.47.8000110.6
329V38.2Very low37.8Very low136 Ų136142.9 Ų142.982%0.82481%0.806SS**  trans-100.6115.3175.81790000109.5
330H33.8Very low37.7Very low174 Ų174140.7 Ų140.781%0.80680%0.802SS**PPolyproline II helixtrans-61.3133.1165.1-110.9-82.4000110.7
331C36.2Very low37.3Very low127 Ų127137.1 Ų137.186%0.85880%0.797SS**PPolyproline II helixtrans-97.6120.1164.1-93.30000108.8
332E35Very low37.2Very low186 Ų186137.6 Ų137.687%0.86980%0.804SS**PPolyproline II helixtrans-92.9131.9164.8-56.5-146.916300109.1
333G40.1Very low37.1Very low77 Ų77136.1 Ų136.179%0.79480%0.803SS**  trans-148.8104.8174.800000108.1
334E36.7Very low37.5Very low183 Ų183140.5 Ų140.586%0.85581%0.807SS**  trans-63.3138179.4-56.4168.8131.600111.4
335Q43Very low37.6Very low178 Ų178139.9 Ų139.983%0.83280%0.804SS**  172.2118.1121.9-91.5168.131.400112.8
336S36.8Very low37.9Very low101 Ų101141.7 Ų141.771%0.70681%0.811SS**  trans54.6131.414160.20000123
337D41.7Very low37.7Very low124 Ų124142 Ų14266%0.66381%0.813SS**  trans99.895.4143.9-68-40.6000120.5
338K47.2Very low37.3Very low198 Ų198143.3 Ų143.386%0.86182%0.817SS**  58.8115.4126.9-61.5169-171.2164.20118.6
339G37.3Very low37.1Very low78 Ų78141 Ų14180%0.80482%0.817SS**  trans148.593.114600000115.6
340S38Very low36.7Very low105 Ų105146.2 Ų146.273%0.73482%0.822SS**  trans-27.5135.1171.358.30000120.3
341C32.3Very low36.7Very low117 Ų117142.9 Ų142.979%0.79182%0.824SS**  59.4119.1125.2-56.40000119.5
342L38Very low36.8Very low168 Ų168142 Ų14288%0.8882%0.82SS**  -179.8144.690.7-141.476.9000111.4
343N33Very low37Very low146 Ų146139.8 Ų139.878%0.78182%0.819SS**  trans-57.6146.4-174.3-59.4-39.1000116.1
344K41.1Very low36.9Very low204 Ų204143.6 Ų143.689%0.88782%0.821SS**  -163.7123.5128.6-105.9164.8-173179.90111.2
345S34.7Very low37.3Very low125 Ų125143.9 Ų143.987%0.87482%0.819SS**  trans-68.9132.4-174.5-320000112.1
346V39.2Very low37Very low135 Ų135141.8 Ų141.882%0.81882%0.819SS**  trans-121.8136.1169.3170.20000109.2
347E33.3Very low37.3Very low187 Ų187145.1 Ų145.187%0.87482%0.823SS**  trans-54.7140.5178.3-60169.3147.400112.7
348T31.3Very low37.2Very low132 Ų132146.4 Ų146.481%0.8183%0.829SS**  trans-119103.1170.3310000109.6
349G32.7Very low37Very low81 Ų81142.7 Ų142.784%0.83583%0.825SS**  trans-102.7111.8162.100000109.1
350W29.4Very low37.6Very low245 Ų245148.4 Ų148.493%0.92883%0.828SS**  trans-98.5128.1171.6-89.119.7000109.7
351A33.6Very low38.1Very low104 Ų104148.9 Ų148.986%0.8683%0.831SS**  trans170.1108132.400000109.4
352S37.9Very low38.9Very low108 Ų108148.5 Ų148.576%0.75583%0.83SS**  trans-135.1109.7159.6-162.90000108.1N354S352-N354 PolarHBondContact O-N 2.94Å
353T39.4Very low39.6Very low140 Ų140148.7 Ų148.786%0.85983%0.826SS**  trans-75.8108171.543.70000108.7K355T353-K355 PolarHBondContact O-N 3.26Å
354N39.2Very low40.2Very low156 Ų156145.1 Ų145.183%0.83481%0.811SS**  trans-72.9107.9172.2-78.1-31.3000110S352S352-N354 PolarHBondContact O-N 2.94Å
355K44.3Very low40.9Very low189 Ų189140.8 Ų140.882%0.82281%0.807SS**PPolyproline II helixtrans-81121.5167-156.2172.6-173177.20107.7T353 Q357T353-K355 PolarHBondContact O-N 3.26Å; K355-Q357 PolarHBondContact O-N 2.81Å
356V37.2Very low42.1Very low135 Ų135144.8 Ų144.882%0.81880%0.803SS**PPolyproline II helixtrans-63.7117.1174.8175.40000108.5
357Q41.9Very low42.4Very low170 Ų170141.3 Ų141.379%0.79479%0.788SS**PPolyproline II helixtrans-90.7117.3176.4-140.1104.210.700108.8K355K355-Q357 PolarHBondContact O-N 2.81Å
358L40Very low43.4Very low151 Ų151140.7 Ų140.779%0.79178%0.783SS**PPolyproline II helixtrans-69.8142.8168-80.8155.2000109.8K360L358-K360 PolarHBondContact O-N 3.07Å
359P42.5Very low44.2Very low120 Ų120140.4 Ų140.478%0.77978%0.783SS**PPolyproline II helixtrans-67.1127.3-178.827.1-31.9000110.2S361P359-S361 PolarHBondContact O-N 3.39Å
360K51.6Low45Very low198 Ų198145.8 Ų145.886%0.86179%0.786SS**PPolyproline II helixtrans-68.4127.3169.1-67.5179.6177.7-178.30108.2L358 S362L358-K360 PolarHBondContact O-N 3.07Å; K360-S362 PolarHBondContact O-N 3.34Å
361S47.5Very low46.4Very low115 Ų115138 Ų13880%0.80477%0.774SS**PPolyproline II helixtrans-59.4118171.650.80000109.4P359 E363P359-S361 PolarHBondContact O-N 3.39Å; S361-E363 PolarHBondContact O-N 3.05Å
362S49.6Very low47.4Very low110 Ų110138.9 Ų138.977%0.76977%0.771SS**PPolyproline II helixtrans-71.7116.1167.552.70000108.4K360K360-S362 PolarHBondContact O-N 3.34Å
363E52.8Low48.1Very low171 Ų171142.6 Ų142.680%0.79978%0.777SS**PPolyproline II helixtrans-57.2131.5167.5-70.7178.8161.600109.2S361S361-E363 PolarHBondContact O-N 3.05Å
364P46.1Very low48.7Very low71 Ų71145.3 Ų145.346%0.46177%0.773SS.*PPolyproline II helixtrans-71.6138.3179.931.8-34.3000109.5W366 A367P364-W366 VanDerWaalsContact CB-NE1 3.33Å; P364-W366 HydrophobicContact CG-CZ2 4.21Å; P364-W366 PolarHBondContact O-N 2.87Å; P364-A367 PolarHBondContact O-N 3.43Å; P364-A367 VanDerWaalsContact O-N 3.17Å
365S54.3Low49.2Very low114 Ų114143.1 Ų143.180%0.79777%0.768SS**THydrogen-bonded Turntrans-60.7-3.3-16956.30000116.4
366W60.7Low49.2Very low209 Ų209139.7 Ų139.779%0.79276%0.759SS**THydrogen-bonded Turntrans-87.5-7.3177.762.7-95.3000113.7P364 K368P364-W366 VanDerWaalsContact CB-NE1 3.33Å; P364-W366 HydrophobicContact CG-CZ2 4.21Å; P364-W366 PolarHBondContact O-N 2.87Å; W366-K368 VanDerWaalsContact C-N 3.28Å; W366-K368 PolarHBondContact O-N 2.88Å
367A44.9Very low49.9Very low62 Ų62138 Ų13851%0.51275%0.753SS.*  trans-83.911-179.100000114.7P364P364-A367 PolarHBondContact O-N 3.43Å; P364-A367 VanDerWaalsContact O-N 3.17Å
368K54.4Low50.2Low174 Ų174136.8 Ų136.876%0.75775%0.752SS**SBendtrans-86.3121.7174.6-69.4-176.5179.7-179.90109.4W366 E370W366-K368 VanDerWaalsContact C-N 3.28Å; W366-K368 PolarHBondContact O-N 2.88Å; K368-E370 PolarHBondContact O-N 3.37Å; K368-E370 VanDerWaalsContact O-N 3.07Å
369P49.4Very low50.8Low125 Ų125138 Ų13881%0.81275%0.753SS**  trans-67.8109169.627.7-30.1000108A371P369-A371 PolarHBondContact O-N 2.99Å; P369-A371 VanDerWaalsContact O-N 3.07Å
370E48.7Very low51.3Low194 Ų194141.7 Ų141.791%0.90776%0.76SS**  trans-65.2102.6161.7-97.5177.116300107.2K368K368-E370 PolarHBondContact O-N 3.37Å; K368-E370 VanDerWaalsContact O-N 3.07Å
371A58.6Low51.5Low82 Ų82137.6 Ų137.668%0.67876%0.757SS**  trans-62.8132.3165.900000108.1P369 E373P369-A371 PolarHBondContact O-N 2.99Å; P369-A371 VanDerWaalsContact O-N 3.07Å; A371-E373 PolarHBondContact O-N 3.1Å
372P55.3Low51.6Low123 Ų123143.8 Ų143.880%0.79978%0.781SS**  trans-64.8120.217525-31000109.4Y374P372-Y374 PolarHBondContact O-N 3.41Å; P372-Y374 VanDerWaalsContact O-N 3.09Å
373E51.4Low51.8Low185 Ų185145.5 Ų145.586%0.86478%0.782SS**  trans-62.5109.1167.5-74.8-173.716300108.5A371 C375A371-E373 PolarHBondContact O-N 3.1Å; E373-C375 PolarHBondContact O-N 3.47Å; E373-C375 VanDerWaalsContact O-N 3.16Å
374Y52.4Low51.7Low198 Ų198144.2 Ų144.278%0.77678%0.781SS**  trans-75.799.9171.7-159.7-90.1000108P372 N376P372-Y374 PolarHBondContact O-N 3.41Å; P372-Y374 VanDerWaalsContact O-N 3.09Å; Y374-N376 WeakPolarHBondContact CD1-OD1 3.49Å; Y374-N376 WeakPolarHBondContact CE1-OD1 3.45Å; Y374-N376 PolarHBondContact O-N 3.06Å
375C49.4Very low52Low110 Ų110148.2 Ų148.274%0.74380%0.798SS**  trans-65.898.7165.8-83.40000108.9E373 S377E373-C375 PolarHBondContact O-N 3.47Å; E373-C375 VanDerWaalsContact O-N 3.16Å; C375-S377 VanDerWaalsContact C-N 3.31Å; C375-S377 PolarHBondContact O-N 3.29Å
376N45Very low51.9Low117 Ų117150.2 Ų150.263%0.62680%0.799SS**  trans-70.292.4158.9-72.1-39000107.9Y374 D378Y374-N376 WeakPolarHBondContact CD1-OD1 3.49Å; Y374-N376 WeakPolarHBondContact CE1-OD1 3.45Å; Y374-N376 PolarHBondContact O-N 3.06Å; N376-D378 PolarHBondContact O-N 2.8Å
377S50.8Low51.3Low100 Ų100146.6 Ų146.670%0.69980%0.799SS**  trans-8489.6155.953.30000107.4C375 E379C375-S377 VanDerWaalsContact C-N 3.31Å; C375-S377 PolarHBondContact O-N 3.29Å; S377-E379 VanDerWaalsContact C-N 3.33Å; S377-E379 PolarHBondContact O-N 3.35Å; S377-E379 VanDerWaalsContact O-N 3.09Å
378D49.7Very low51.8Low143 Ų143152.2 Ų152.277%0.76582%0.818SS**  trans-68.694.5161.6-68.6-45.3000107.6N376 E380N376-D378 PolarHBondContact O-N 2.8Å; D378-E380 PolarHBondContact O-N 2.91Å
379E52.6Low51.6Low176 Ų176150.6 Ų150.682%0.82282%0.822SS**  trans-83.193.2160.5-78.5-171.4147.400108S377 S381S377-E379 VanDerWaalsContact C-N 3.33Å; S377-E379 PolarHBondContact O-N 3.35Å; S377-E379 VanDerWaalsContact O-N 3.09Å; E379-S381 PolarHBondContact O-N 3.32Å
380E51.8Low51.7Low198 Ų198152.6 Ų152.693%0.92582%0.823SS**  trans-60.7119.1158.5-78.3-178.3139.700108.6D378D378-E380 PolarHBondContact O-N 2.91Å
381S57.2Low52Low112 Ų112149.2 Ų149.278%0.78382%0.816SS**  trans-128.9111.5166.1410000109.1E379E379-S381 PolarHBondContact O-N 3.32Å
382D49.5Very low51.4Low246 Ų246155.3 Ų155.3100%1.31683%0.829SS**  trans-127.40156.6-109.5-17.7000107.3

Retrieved 382 of 382 residues in 79.8 ms (Link to these results)