G4V7V1_SCHMA Loading...

DNA replication licensing factor MCM2

AlphaFold DB , UniProt , Accession G4V7V1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 503 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.7Very low39.1Very low236 Ų236151.3 Ų151.3100%1.16387%0.867SS**  081.50-67.8172.8157.200105.5
2S37.6Very low39.2Very low116 Ų116145.7 Ų145.781%0.81187%0.867SS**  98.1102.184.554.70000110.3
3N37Very low39Very low157 Ų157140.2 Ų140.284%0.8486%0.859SS**  trans-49.1156.1161.9-63.6-20000112
4S40.7Very low39.1Very low114 Ų114143.1 Ų143.180%0.79787%0.865SS**  177.6120.112350.30000112.3
5D37.3Very low38.9Very low155 Ų155141.9 Ų141.983%0.82987%0.866SS**  trans-54.9151.7157.5-60.5-66.5000112.7
6L43.8Very low38.9Very low177 Ų177137.8 Ų137.893%0.92786%0.861SS**  trans-145.7117.6151.8-88.4171.8000110.6
7S35.7Very low38.8Very low120 Ų120136.2 Ų136.284%0.83987%0.865SS**  trans-98.8152.8166.951.70000110.1
8G38.7Very low38.9Very low70 Ų70133.8 Ų133.872%0.72286%0.859SS**  trans174.7103.9169.400000110.6
9R38.3Very low39Very low247 Ų247132.2 Ų132.293%0.93285%0.852SS**  76.3112.585.8-90.3-172.7168.4-175.3-2.1114.7
10H40.5Very low39.2Very low198 Ų198132 Ų13292%0.91785%0.851SS**  trans-175.3127.6135.9-92.4-48.5000107.1
11G38.4Very low39.3Very low74 Ų74133 Ų13376%0.76385%0.85SS**  cis106.1101.713.400000110.6
12G40.3Very low39.4Very low84 Ų84127.2 Ų127.287%0.86683%0.829SS**  trans158.997.9167.500000114.1
13G35.5Very low39.7Very low74 Ų74130.9 Ų130.976%0.76383%0.834SS**  trans-90.9159172.900000112.8
14L40.9Very low40Very low181 Ų181132.2 Ų132.295%0.94884%0.835SS**  trans-142.2117.8161.1-80.3169.4000108.9
15S36.6Very low40Very low125 Ų125132.1 Ų132.187%0.87483%0.832SS**  trans-75.3137.3167.849.40000110.8
16G38.4Very low40.3Very low77 Ų77129 Ų12979%0.79483%0.827SS**  trans-154.6111.3171.300000109.6
17A37Very low40.1Very low111 Ų111130.8 Ų130.892%0.91783%0.828SS**  trans-68.3141.5-177.900000112.8
18A40.1Very low40.5Very low92 Ų92133.2 Ų133.276%0.7683%0.826SS**  trans-161.6112.3152.400000110.2
19S42.4Very low40.7Very low103 Ų103135.9 Ų135.972%0.7282%0.824SS**  trans56.8126.3147.5-48.80000121.2
20P41.5Very low40.9Very low129 Ų129132.3 Ų132.384%0.83882%0.817SS**PPolyproline II helixtrans-81.6122.8160.632.9-24.8000108.7
21D41.7Very low41.2Very low154 Ų154126.7 Ų126.782%0.82480%0.801SS**PPolyproline II helixtrans-71.8138.3169.4-75.8-45.2000109.7
22P45.6Very low41.7Very low113 Ų113126.6 Ų126.673%0.73479%0.793SS**PPolyproline II helixtrans-75.5153.7-172.232.1-33.2000111.3E24P22-E24 PolarHBondContact O-N 3.14Å; P22-E24 VanDerWaalsContact O-N 3.16Å
23E42.9Very low42.1Very low194 Ų194126.8 Ų126.891%0.90779%0.786SS**  trans-40.7113.9172.6-64.8166.2147.800111.6
24E43.2Very low42.9Very low184 Ų184130.5 Ų130.586%0.8679%0.787SS**PPolyproline II helixtrans-65.8129.4164.8-77.8-170.1152.400108.2P22P22-E24 PolarHBondContact O-N 3.14Å; P22-E24 VanDerWaalsContact O-N 3.16Å
25P41.4Very low43.1Very low113 Ų113128.8 Ų128.873%0.73478%0.778SS**PPolyproline II helixtrans-64.2140.6177.427.5-32000109.1F27P25-F27 PolarHBondContact O-N 3.35Å
26A43.3Very low43.2Very low88 Ų88126.4 Ų126.473%0.72777%0.772SS**PPolyproline II helixtrans-48.8130.6167.300000108.7E28A26-E28 VanDerWaalsContact C-N 3.34Å; A26-E28 PolarHBondContact O-N 3.35Å
27F40.6Very low43.2Very low215 Ų215129.6 Ų129.694%0.94377%0.772SS**  trans-55.7103.9168.9-113-101.6000107.3P25 D29P25-F27 PolarHBondContact O-N 3.35Å; F27-D29 PolarHBondContact O-N 2.98Å
28E43Very low43.4Very low171 Ų171130.7 Ų130.780%0.79976%0.762SS**  trans-64.2127.3170-71-179.8163.600107A26 E30A26-E28 VanDerWaalsContact C-N 3.34Å; A26-E28 PolarHBondContact O-N 3.35Å; E28-E30 VanDerWaalsContact C-N 3.28Å; E28-E30 PolarHBondContact O-N 3.46Å
29D42.6Very low43.3Very low127 Ų127133.1 Ų133.168%0.67976%0.762SS**  trans-68.886180-162.3-5.5000108.7F27 S31 A32F27-D29 PolarHBondContact O-N 2.98Å; D29-S31 VanDerWaalsContact CG-OG 3.29Å; D29-S31 PolarHBondContact O-N 2.95Å; D29-S31 WeakPolarHBondContact OD1-CB 3.46Å; D29-S31 PolarHBondContact OD1-OG 3.33Å; D29-A32 PolarHBondContact O-N 3.04Å
30E43.7Very low43Very low171 Ų171136 Ų13680%0.79977%0.768SS**G310 helixtrans-66.85.8175.5-76-164.2147.300113.2E28 A32E28-E30 VanDerWaalsContact C-N 3.28Å; E28-E30 PolarHBondContact O-N 3.46Å; E30-A32 PolarHBondContact O-N 3.02Å
31S47.2Very low43Very low81 Ų81137.2 Ų137.257%0.56677%0.768SS**G310 helixtrans-72.6-15.917069.90000113.5D29D29-S31 VanDerWaalsContact CG-OG 3.29Å; D29-S31 PolarHBondContact O-N 2.95Å; D29-S31 WeakPolarHBondContact OD1-CB 3.46Å; D29-S31 PolarHBondContact OD1-OG 3.33Å
32A48.3Very low43.1Very low72 Ų72138.8 Ų138.860%0.59577%0.77SS**G310 helixtrans-83.4-12.6178.400000114.7D29 E30D29-A32 PolarHBondContact O-N 3.04Å; E30-A32 PolarHBondContact O-N 3.02Å
33A48.5Very low43.1Very low87 Ų87142.1 Ų142.172%0.71978%0.776SS**G310 helixtrans-89.2-1.1-175.500000114.9
34I52Low43.2Very low153 Ų153142.2 Ų142.279%0.78578%0.777SS**G310 helixtrans-89.6-13.6171.1-72.7175.9000111.6G36I34-G36 PolarHBondContact O-N 3.43Å
35L44.9Very low43.5Very low145 Ų145142.8 Ų142.876%0.75978%0.779SS**SBendtrans-94.591.7173.2-66174.1000108.1D37L35-D37 PolarHBondContact O-N 3.4Å; L35-D37 VanDerWaalsContact O-N 3.16Å
36G40Very low44.4Very low74 Ų74143 Ų14376%0.76378%0.784SS**  trans-51117.5168.600000110.3I34 D38I34-G36 PolarHBondContact O-N 3.43Å; G36-D38 PolarHBondContact O-N 3.16Å
37D36.5Very low45.1Very low145 Ų145141.4 Ų141.478%0.77578%0.775SS**  trans-38.7115.7149.8-172.928000109.6L35L35-D37 PolarHBondContact O-N 3.4Å; L35-D37 VanDerWaalsContact O-N 3.16Å
38D41.6Very low45.9Very low134 Ų134138.4 Ų138.472%0.71776%0.764SS**  trans-172.9110.8139.9-90.8-34.2000109G36G36-D38 PolarHBondContact O-N 3.16Å
39N39.3Very low46.8Very low142 Ų142135 Ų13576%0.75975%0.752SS**  trans4493.2148.2-60.7-44.5000117.4D41N39-D41 PolarHBondContact O-N 3.24Å
40L36.2Very low47.9Very low163 Ų163133.9 Ų133.985%0.85375%0.745SS**THydrogen-bonded Turntrans-44.6118.4138.4-67.9157.5000108.8
41D39.9Very low49Very low156 Ų156135.3 Ų135.383%0.83475%0.749SS**THydrogen-bonded Turntrans159.85.9134.5-76.3-16000115.6N39N39-D41 PolarHBondContact O-N 3.24Å
42E44.4Very low50.1Low186 Ų186132.6 Ų132.687%0.86973%0.734SS**SBendtrans-128.9-7.4-177.3-69.3-170.7172.400118.9
43E45.3Very low51.4Low183 Ų183137.3 Ų137.386%0.85575%0.749SS**SBendtrans-104.83.7-171.6-67.5-167.5170.200117.1E45E43-E45 VanDerWaalsContact C-N 3.28Å; E43-E45 PolarHBondContact O-N 2.88Å
44E45.6Very low52.5Low197 Ų197137.9 Ų137.992%0.92174%0.74SS**G310 helixtrans-80.12.8178.4-72.1-168.9169.500115.1
45E50Low53.4Low195 Ų195134.4 Ų134.491%0.91172%0.722SS**G310 helixtrans-88.8-9.9-176.8-121.6178.5-167.200115.1E43E43-E45 VanDerWaalsContact C-N 3.28Å; E43-E45 PolarHBondContact O-N 2.88Å
46S60.1Low54.7Low118 Ų118135.8 Ų135.883%0.82572%0.724SS**G310 helixtrans-103.35.9-178.883.60000115
47G57.1Low56.3Low54 Ų54139.9 Ų139.956%0.55772%0.716SS**SBendtrans-79.2136.5177.200000111.8N49G47-N49 PolarHBondContact O-N 3.38Å
48E57.4Low57.8Low152 Ų152137.8 Ų137.871%0.7171%0.706SS**  trans-51.8114.5168.1-64.5177.1-175.100109L50E48-L50 HydrophobicContact CB-CG 4.46Å; E48-L50 PolarHBondContact O-N 3.3Å
49N61.7Low59.2Low101 Ų101140.1 Ų140.154%0.5471%0.706SS.*  trans-82.175.7-174.8-144.7-14.2000108.7G47 F51 G52G47-N49 PolarHBondContact O-N 3.38Å; N49-F51 PolarHBondContact O-N 3.4Å; N49-G52 PolarHBondContact O-N 2.9Å
50L66.7Low61Low102 Ų102141.3 Ų141.353%0.53470%0.699SS.*THydrogen-bonded Turntrans-60.4-10.8-169.8-71.2168.2000115.3E48E48-L50 HydrophobicContact CB-CG 4.46Å; E48-L50 PolarHBondContact O-N 3.3Å
51F67.5Low62.9Low201 Ų201138.7 Ų138.788%0.88269%0.692SS**THydrogen-bonded Turntrans-133.14.7-175.1-57.5-78.8000114N49N49-F51 PolarHBondContact O-N 3.4Å
52G70.3Confident64.7Low24 Ų24135.3 Ų135.325%0.24767%0.673CS.*SBendtrans-89.8157.8-17800000113.8N49 D54 M55N49-G52 PolarHBondContact O-N 2.9Å; G52-D54 PolarHBondContact O-N 3.24Å; G52-M55 WeakPolarHBondContact O-CB 3.44Å; G52-M55 PolarHBondContact O-N 3.35Å; G52-M55 VanDerWaalsContact O-N 3.11Å
53D73.8Confident66.2Low171 Ų171130.9 Ų130.991%0.91466%0.661SS**THydrogen-bonded Turntrans-59.6-16.8175-70.7-20.9000113
54D71.9Confident67.6Low100 Ų100130 Ų13054%0.53566%0.656SS.*THydrogen-bonded Turntrans-87.31.3178.9-62.6-42000114.3G52 E56 R57G52-D54 PolarHBondContact O-N 3.24Å; D54-E56 PolarHBondContact O-N 2.9Å; D54-R57 WeakPolarHBondContact O-CB 3.41Å; D54-R57 PolarHBondContact O-N 2.62Å
55M71Confident68.9Low80 Ų80127.1 Ų127.139%0.39465%0.647SS.*G310 helixtrans-50.9-31.7-178.3-175-168.5-171.900113.6G52 R57 D58 Y59G52-M55 WeakPolarHBondContact O-CB 3.44Å; G52-M55 PolarHBondContact O-N 3.35Å; G52-M55 VanDerWaalsContact O-N 3.11Å; M55-R57 PolarHBondContact O-N 3.31Å; M55-D58 PolarHBondContact O-N 3.02Å; M55-Y59 HydrophobicContact CE-CE2 4.34Å
56E71.7Confident69.9Low173 Ų173124 Ų12481%0.80864%0.636SS**G310 helixtrans-68.4-15179.9-65-174.4167.900113.8D54D54-E56 PolarHBondContact O-N 2.9Å
57R74Confident70.8Confident160 Ų160123.5 Ų123.560%0.60463%0.628SS**G310 helixtrans-75.3-28.2178.7-74.8-173.7175.1-169.53113.4D54 M55 Y59 R60D54-R57 WeakPolarHBondContact O-CB 3.41Å; D54-R57 PolarHBondContact O-N 2.62Å; M55-R57 PolarHBondContact O-N 3.31Å; R57-Y59 PolarHBondContact O-N 3.05Å; R57-R60 WeakPolarHBondContact O-CG 3.43Å; R57-R60 PolarHBondContact O-N 3.2Å
58D67.9Low71.6Confident102 Ų102130.5 Ų130.555%0.54564%0.639SS.*THydrogen-bonded Turntrans-72.5-20.1-177.1-65.5-16.8000112.3M55 R60M55-D58 PolarHBondContact O-N 3.02Å; D58-R60 VanDerWaalsContact C-N 3.33Å; D58-R60 PolarHBondContact O-N 3.01Å
59Y72.2Confident72.5Confident183 Ų183131.3 Ų131.372%0.71864%0.643SS**THydrogen-bonded Turntrans-89.415.2177.7-68.1-79.6000114.5M55 R57 P61M55-Y59 HydrophobicContact CE-CE2 4.34Å; R57-Y59 PolarHBondContact O-N 3.05Å; Y59-P61 WeakPolarHBondContact O-CD 3.49Å
60R76.3Confident73Confident167 Ų167130.8 Ų130.863%0.6365%0.652SS**  trans-73.7123.7175.2-72.2179.2-179.7-1731.8109.5R57 D58 I62R57-R60 WeakPolarHBondContact O-CG 3.43Å; R57-R60 PolarHBondContact O-N 3.2Å; D58-R60 VanDerWaalsContact C-N 3.33Å; D58-R60 PolarHBondContact O-N 3.01Å; R60-I62 PolarHBondContact O-N 3.5Å
61P75.2Confident73.4Confident108 Ų108134.7 Ų134.770%0.70167%0.668SS**  trans-62.2124.9177.123.7-31.1000109.7Y59 P63Y59-P61 WeakPolarHBondContact O-CD 3.49Å; P61-P63 WeakPolarHBondContact O-CD 3.46Å
62I78.4Confident73.5Confident84 Ų84129 Ų12943%0.43167%0.666SS.*  trans-104.8100.6173.1-59.7170.2000106.3R60 E64 L65 D66R60-I62 PolarHBondContact O-N 3.5Å; I62-E64 HydrophobicContact CG2-CB 4.36Å; I62-E64 PolarHBondContact O-N 3.06Å; I62-L65 HydrophobicContact CB-CB 4.43Å; I62-L65 HydrophobicContact CB-CD1 4.16Å; I62-L65 HydrophobicContact CD1-CD1 3.9Å; I62-L65 HydrophobicContact CG2-CB 4.36Å; I62-L65 HydrophobicContact CG2-CD1 3.97Å; I62-L65 HydrophobicContact CG2-CG 4.17Å; I62-L65 PolarHBondContact O-N 2.7Å; I62-D66 PolarHBondContact O-N 2.78Å
63P77Confident73.4Confident94 Ų94133 Ų13361%0.6168%0.681SS**THydrogen-bonded Turntrans-60.2-20.4-173.4-23.733.7000114.2P61P61-P63 WeakPolarHBondContact O-CD 3.46Å
64E74.7Confident73.1Confident163 Ų163128.1 Ų128.176%0.76267%0.665SS**THydrogen-bonded Turntrans-77.6-25.7179-62.5125.6-179.800113.2I62I62-E64 HydrophobicContact CG2-CB 4.36Å; I62-E64 PolarHBondContact O-N 3.06Å
65L72.8Confident73.1Confident138 Ų138128.5 Ų128.572%0.72367%0.667SS**THydrogen-bonded Turntrans-92.6-12.9178.1-73.6165.6000112.7I62 V67I62-L65 HydrophobicContact CB-CB 4.43Å; I62-L65 HydrophobicContact CB-CD1 4.16Å; I62-L65 HydrophobicContact CD1-CD1 3.9Å; I62-L65 HydrophobicContact CG2-CB 4.36Å; I62-L65 HydrophobicContact CG2-CD1 3.97Å; I62-L65 HydrophobicContact CG2-CG 4.17Å; I62-L65 PolarHBondContact O-N 2.7Å; L65-V67 PolarHBondContact O-N 3Å
66D71.1Confident72.8Confident130 Ų130130.4 Ų130.470%0.69569%0.685SS**SBendtrans-80.72.6177.2-91.2-17.2000113.6I62I62-D66 PolarHBondContact O-N 2.78Å
67V77.9Confident72.6Confident107 Ų107129.1 Ų129.165%0.64868%0.684SS**SBendtrans-114.1121.2177.6-168.20000109.1L65L65-V67 PolarHBondContact O-N 3Å
68Y75Confident72.2Confident200 Ų200128.1 Ų128.178%0.78469%0.686SS**  trans-57.7138.5171.1-68.4-77000110.5A70 L73Y68-A70 PolarHBondContact O-N 3.35Å; Y68-L73 HydrophobicContact CG-CD1 4.48Å
69E74.5Confident71.9Confident170 Ų170130.9 Ų130.979%0.79470%0.701SS**  trans-58.5130.8169.2-74.6-176.9153.800109.6E71E69-E71 PolarHBondContact O-N 3.43Å; E69-E71 VanDerWaalsContact O-N 3.14Å
70A72.3Confident71.3Confident89 Ų89129.2 Ų129.274%0.73670%0.703SS**SBendtrans-66.8-14.5-176.100000113.4Y68 G72Y68-A70 PolarHBondContact O-N 3.35Å; A70-G72 PolarHBondContact O-N 3.06Å
71E75.3Confident70.9Confident185 Ų185130 Ų13086%0.86472%0.715SS**THydrogen-bonded Turntrans-80.5109.7-178.7-157.4168.6-159.700110.2E69E69-E71 PolarHBondContact O-N 3.43Å; E69-E71 VanDerWaalsContact O-N 3.14Å
72G69.8Low70.5Confident82 Ų82134.4 Ų134.485%0.84573%0.725SS**THydrogen-bonded Turntrans100.5-5.2-179.800000115.2A70A70-G72 PolarHBondContact O-N 3.06Å
73L69.3Low70.2Confident106 Ų106136.1 Ų136.156%0.55574%0.735SS**PPolyproline II helixtrans-71.7128164.5-91.8158.9000109.4Y68 D75Y68-L73 HydrophobicContact CG-CD1 4.48Å; L73-D75 PolarHBondContact O-N 3.23Å
74A66.7Low70.5Confident70 Ų70134.4 Ų134.458%0.57973%0.725SS**PPolyproline II helixtrans-59135.5170.600000109.4P76A74-P76 WeakPolarHBondContact O-CD 3.47Å
75D71.5Confident70.9Confident107 Ų107131.9 Ų131.957%0.57272%0.723SS**PPolyproline II helixtrans-61.2122.1176.4-154.3-15.4000107.6L73 D77 E78L73-D75 PolarHBondContact O-N 3.23Å; D75-D77 PolarHBondContact O-N 2.94Å; D75-E78 HydrophobicContact CB-CB 4.32Å; D75-E78 PolarHBondContact O-N 3.43Å
76P65.2Low71.3Confident120 Ų120131.5 Ų131.578%0.77972%0.722SS**THydrogen-bonded Turntrans-60.7-13-172.719.2-32000114.7A74A74-P76 WeakPolarHBondContact O-CD 3.47Å
77D67.6Low72Confident147 Ų147128 Ų12879%0.78671%0.705SS**THydrogen-bonded Turntrans-100.83.4177.9-66.3-31.1000113.7D75 D79D75-D77 PolarHBondContact O-N 2.94Å; D77-D79 PolarHBondContact O-N 3.03Å
78E66Low72.2Confident138 Ų138130.3 Ų130.365%0.64570%0.702SS**  trans-87.595.5177.2-155.6172.3-151.600110.5D75 L80D75-E78 HydrophobicContact CB-CB 4.32Å; D75-E78 PolarHBondContact O-N 3.43Å; E78-L80 PolarHBondContact O-N 3.33Å
79D60.9Low72.5Confident161 Ų161122.5 Ų122.586%0.86168%0.679SS**  trans-6292.7170.7-74.7-38.9000109.8D77 E81D77-D79 PolarHBondContact O-N 3.03Å; D79-E81 PolarHBondContact O-N 3.35Å; D79-E81 VanDerWaalsContact O-N 3.16Å
80L61Low72.9Confident147 Ų147120.2 Ų120.277%0.7767%0.668SS**  trans-64.1111.7170.9-79.4156.6000109.2E78 E82E78-L80 PolarHBondContact O-N 3.33Å; L80-E82 PolarHBondContact O-N 3.16Å
81E66.8Low73.5Confident185 Ų185118.1 Ų118.186%0.86465%0.651SS**  trans-51.3132.1172.4-67-177.517100110.1D79 L83D79-E81 PolarHBondContact O-N 3.35Å; D79-E81 VanDerWaalsContact O-N 3.16Å; E81-L83 PolarHBondContact O-N 2.98Å
82E66.8Low73.9Confident199 Ų199113 Ų11393%0.9363%0.627SS**  trans-54.9107.8178.6-74.2-175.2167.400110.2L80 S84L80-E82 PolarHBondContact O-N 3.16Å; E82-S84 PolarHBondContact O-N 3.4Å
83L73.1Confident74.6Confident120 Ų120116.4 Ų116.463%0.62862%0.615SS**  trans-53.9128.9173-95.3145.3000109.3E81 T87E81-L83 PolarHBondContact O-N 2.98Å; L83-T87 HydrophobicContact CD2-CG2 4.26Å; L83-T87 WeakPolarHBondContact CD2-OG1 3.46Å
84S83.3Confident75.4Confident59 Ų59115.7 Ų115.741%0.41361%0.609SS.*  trans-53.8148.917583.30000110.4E82 N86 T87 R88E82-S84 PolarHBondContact O-N 3.4Å; S84-N86 PolarHBondContact O-N 2.72Å; S84-T87 WeakPolarHBondContact CA-OG1 3.44Å; S84-T87 WeakPolarHBondContact CB-OG1 3.37Å; S84-T87 PolarHBondContact N-OG1 2.89Å; S84-T87 PolarHBondContact O-N 3.08Å; S84-T87 PolarHBondContact O-OG1 3.27Å; S84-T87 PolarHBondContact OG-N 3.46Å; S84-T87 PolarHBondContact OG-OG1 2.89Å; S84-R88 PolarHBondContact O-N 3.41Å
85P81.3Confident76.2Confident109 Ų109117.8 Ų117.871%0.70861%0.608SS**Hα-helixtrans-53.3-34.5-179-2733.4000113.3A89P85-A89 WeakPolarHBondContact O-CB 3.5Å; P85-A89 PolarHBondContact O-N 3.3Å
86N81.5Confident76.7Confident131 Ų131119 Ų11970%0.70160%0.604SS**Hα-helixtrans-68.5-44.5177.9-73.4-14.8000112.3S84 R88 A89 E90S84-N86 PolarHBondContact O-N 2.72Å; N86-R88 VanDerWaalsContact C-N 3.32Å; N86-R88 PolarHBondContact O-N 3.47Å; N86-A89 PolarHBondContact O-N 2.99Å; N86-E90 WeakPolarHBondContact O-CB 3.48Å; N86-E90 PolarHBondContact O-N 2.88Å
87T85.7Confident77.5Confident56 Ų56119.6 Ų119.634%0.34459%0.591SS.*Hα-helixtrans-67.3-33.7177.731.90000112L83 S84 E90 A91L83-T87 HydrophobicContact CD2-CG2 4.26Å; L83-T87 WeakPolarHBondContact CD2-OG1 3.46Å; S84-T87 WeakPolarHBondContact CA-OG1 3.44Å; S84-T87 WeakPolarHBondContact CB-OG1 3.37Å; S84-T87 PolarHBondContact N-OG1 2.89Å; S84-T87 PolarHBondContact O-N 3.08Å; S84-T87 PolarHBondContact O-OG1 3.27Å; S84-T87 PolarHBondContact OG-N 3.46Å; S84-T87 PolarHBondContact OG-OG1 2.89Å; T87-E90 PolarHBondContact O-N 3.47Å; T87-A91 WeakPolarHBondContact O-CB 3.47Å; T87-A91 PolarHBondContact O-N 3.12Å
88R81.7Confident78.1Confident155 Ų155120.1 Ų120.159%0.58558%0.582SS**Hα-helixtrans-64.9-47.9172.1-177.7-178.1168.2125.75.7111.8S84 N86 E90 A91 E92S84-R88 PolarHBondContact O-N 3.41Å; N86-R88 VanDerWaalsContact C-N 3.32Å; N86-R88 PolarHBondContact O-N 3.47Å; R88-E90 PolarHBondContact O-N 2.9Å; R88-A91 PolarHBondContact O-N 3.02Å; R88-E92 IonicContact CZ-OE1 2.83Å; R88-E92 IonicContact NE-OE1 2.81Å; R88-E92 PolarHBondContact NE-OE1 3.32Å; R88-E92 IonicContact NH2-OE1 3.82Å; R88-E92 PolarHBondContact NH2-OE1 3.32Å; R88-E92 PolarHBondContact O-N 3.33Å
89A82Confident78.7Confident37 Ų37117.8 Ų117.831%0.30657%0.574SS.*Hα-helixtrans-63.6-30.8178.900000112.5P85 N86 R93P85-A89 WeakPolarHBondContact O-CB 3.5Å; P85-A89 PolarHBondContact O-N 3.3Å; N86-A89 PolarHBondContact O-N 2.99Å; A89-R93 WeakPolarHBondContact O-CB 3.4Å; A89-R93 PolarHBondContact O-N 3.04Å; A89-R93 VanDerWaalsContact O-N 3.15Å
90E83.7Confident79.4Confident121 Ų121119.1 Ų119.157%0.56557%0.567SS**Hα-helixtrans-71.8-42.6174.1-166.7165.5-159.800112N86 T87 R88 R93 E94N86-E90 WeakPolarHBondContact O-CB 3.48Å; N86-E90 PolarHBondContact O-N 2.88Å; T87-E90 PolarHBondContact O-N 3.47Å; R88-E90 PolarHBondContact O-N 2.9Å; E90-R93 PolarHBondContact O-N 3.02Å; E90-E94 PolarHBondContact O-N 3.29Å
91A84.5Confident80.2Confident46 Ų46117.5 Ų117.538%0.3856%0.555SS.*Hα-helixtrans-63.3-41.3174.300000112.8T87 R88 R93 E94 M95T87-A91 WeakPolarHBondContact O-CB 3.47Å; T87-A91 PolarHBondContact O-N 3.12Å; R88-A91 PolarHBondContact O-N 3.02Å; A91-R93 VanDerWaalsContact C-N 3.34Å; A91-R93 PolarHBondContact O-N 2.94Å; A91-E94 PolarHBondContact O-N 3Å; A91-M95 PolarHBondContact O-N 3.49Å
92E84.6Confident80.5Confident77 Ų77116.4 Ų116.436%0.3654%0.543SS..Hα-helixtrans-64.5-36.6174.4-81.8172.3-173.500112R88 M95 R96R88-E92 IonicContact CZ-OE1 2.83Å; R88-E92 IonicContact NE-OE1 2.81Å; R88-E92 PolarHBondContact NE-OE1 3.32Å; R88-E92 IonicContact NH2-OE1 3.82Å; R88-E92 PolarHBondContact NH2-OE1 3.32Å; R88-E92 PolarHBondContact O-N 3.33Å; E92-M95 HydrophobicContact CG-CE 4.39Å; E92-R96 WeakPolarHBondContact O-CB 3.3Å; E92-R96 PolarHBondContact O-N 3.27Å
93R83.7Confident80.6Confident153 Ų153111.9 Ų111.958%0.57753%0.525SS*.Hα-helixtrans-65.2-40.6173.5-110.3-179.3-78.6115-1.3112.2A89 E90 A91 R97A89-R93 WeakPolarHBondContact O-CB 3.4Å; A89-R93 PolarHBondContact O-N 3.04Å; A89-R93 VanDerWaalsContact O-N 3.15Å; E90-R93 PolarHBondContact O-N 3.02Å; A91-R93 VanDerWaalsContact C-N 3.34Å; A91-R93 PolarHBondContact O-N 2.94Å; R93-R97 PolarHBondContact O-N 2.93Å
94E85.9Confident80.6Confident92 Ų92112.8 Ų112.843%0.4353%0.53SS..Hα-helixtrans-67.4-44178.5-17661.2-155.600111.8E90 A91 R97 R98E90-E94 PolarHBondContact O-N 3.29Å; A91-E94 PolarHBondContact O-N 3Å; E94-R97 PolarHBondContact O-N 2.98Å; E94-R97 IonicContact OE1-CZ 3.42Å; E94-R97 IonicContact OE1-NH2 2.62Å; E94-R97 PolarHBondContact OE1-NH2 2.94Å; E94-R97 IonicContact OE2-CZ 3.03Å; E94-R97 IonicContact OE2-NE 3.94Å; E94-R97 IonicContact OE2-NH1 2.88Å; E94-R97 PolarHBondContact OE2-NH1 2.88Å; E94-R97 IonicContact OE2-NH2 2.9Å; E94-R97 PolarHBondContact OE2-NH2 3.3Å; E94-R98 PolarHBondContact O-N 3.01Å
95M83.1Confident80.1Confident113 Ų113114.1 Ų114.156%0.55754%0.544SS*.Hα-helixtrans-61.4-46.2174.1-75.4-171.1-72.300111.8A91 E92 R97 R98 D99A91-M95 PolarHBondContact O-N 3.49Å; E92-M95 HydrophobicContact CG-CE 4.39Å; M95-R97 VanDerWaalsContact C-N 3.28Å; M95-R97 PolarHBondContact O-N 3.47Å; M95-R98 PolarHBondContact O-N 3.06Å; M95-R98 VanDerWaalsContact O-N 3.12Å; M95-D99 PolarHBondContact O-N 3.35Å
96R82.8Confident79.6Confident134 Ų134114 Ų11451%0.50654%0.541SS..Hα-helixtrans-61.9-35.4178.6-157.4-168.4-103.1108.5-21.7111.9E92 R100 E121E92-R96 WeakPolarHBondContact O-CB 3.3Å; E92-R96 PolarHBondContact O-N 3.27Å; R96-R100 WeakPolarHBondContact O-CB 3.44Å; R96-R100 PolarHBondContact O-N 3.06Å; R96-R100 VanDerWaalsContact O-N 3.13Å; R96-E121 IonicContact NH2-OE1 3.01Å; R96-E121 PolarHBondContact NH2-OE1 3.15Å; R96-E121 VanDerWaalsContact NH2-OE1 3.1Å; R96-E121 IonicContact NH2-OE2 3.48Å
97R80.9Confident78.3Confident132 Ų132110.7 Ų110.750%0.49854%0.539SS..Hα-helixtrans-64.6-48.6172.7-172.1-179.379.2-142.7-1111.3R93 E94 M95 D99 R100 E101R93-R97 PolarHBondContact O-N 2.93Å; E94-R97 PolarHBondContact O-N 2.98Å; E94-R97 IonicContact OE1-CZ 3.42Å; E94-R97 IonicContact OE1-NH2 2.62Å; E94-R97 PolarHBondContact OE1-NH2 2.94Å; E94-R97 IonicContact OE2-CZ 3.03Å; E94-R97 IonicContact OE2-NE 3.94Å; E94-R97 IonicContact OE2-NH1 2.88Å; E94-R97 PolarHBondContact OE2-NH1 2.88Å; E94-R97 IonicContact OE2-NH2 2.9Å; E94-R97 PolarHBondContact OE2-NH2 3.3Å; M95-R97 VanDerWaalsContact C-N 3.28Å; M95-R97 PolarHBondContact O-N 3.47Å; R97-D99 VanDerWaalsContact C-N 3.35Å; R97-D99 PolarHBondContact O-N 3.03Å; R97-R100 PolarHBondContact O-N 3.32Å; R97-E101 PolarHBondContact O-N 3.11Å
98R80Confident76.7Confident157 Ų157110.5 Ų110.559%0.59255%0.548SS*.Hα-helixtrans-61.1-42.8-179.9-173.6-175.5175.3178.9-1.5111.7E94 M95 E101 R102E94-R98 PolarHBondContact O-N 3.01Å; M95-R98 PolarHBondContact O-N 3.06Å; M95-R98 VanDerWaalsContact O-N 3.12Å; R98-E101 PolarHBondContact O-N 2.96Å; R98-R102 WeakPolarHBondContact O-CB 3.44Å; R98-R102 PolarHBondContact O-N 3.02Å
99D79Confident75Confident89 Ų89110 Ų11048%0.47656%0.556SS.*Hα-helixtrans-66.7-40.1179.2-72.5-18.1000111.7M95 R97 E101 R102 L103M95-D99 PolarHBondContact O-N 3.35Å; R97-D99 VanDerWaalsContact C-N 3.35Å; R97-D99 PolarHBondContact O-N 3.03Å; D99-E101 PolarHBondContact O-N 2.93Å; D99-R102 PolarHBondContact O-N 3.13Å; D99-L103 WeakPolarHBondContact O-CB 3.32Å; D99-L103 VanDerWaalsContact O-CG 3.3Å; D99-L103 WeakPolarHBondContact O-CG 3.5Å; D99-L103 PolarHBondContact O-N 3.1Å
100R75.9Confident73.3Confident189 Ų189118.9 Ų118.971%0.71358%0.582SS**Hα-helixtrans-61.1-42.9172.8-174.6-178.6-100.9-158.1-2.9111.8R96 R97 L103 L104R96-R100 WeakPolarHBondContact O-CB 3.44Å; R96-R100 PolarHBondContact O-N 3.06Å; R96-R100 VanDerWaalsContact O-N 3.13Å; R97-R100 PolarHBondContact O-N 3.32Å; R100-L103 PolarHBondContact O-N 2.88Å; R100-L104 HydrophobicContact CG-CD1 4.18Å; R100-L104 WeakPolarHBondContact O-CB 3.35Å; R100-L104 VanDerWaalsContact O-CG 3.31Å; R100-L104 WeakPolarHBondContact O-CG 3.31Å; R100-L104 PolarHBondContact O-N 3.36Å
101E77.4Confident71.4Confident113 Ų113123.9 Ų123.953%0.52860%0.596SS.*Hα-helixtrans-65.3-40176-75.1176.9-178.700112R97 R98 D99 L104 A105R97-E101 PolarHBondContact O-N 3.11Å; R98-E101 PolarHBondContact O-N 2.96Å; D99-E101 PolarHBondContact O-N 2.93Å; E101-L104 PolarHBondContact O-N 3.07Å; E101-A105 WeakPolarHBondContact O-CB 3.5Å; E101-A105 PolarHBondContact O-N 3.43Å
102R74.6Confident69.5Low162 Ų162128.4 Ų128.461%0.61161%0.613SS**Hα-helixtrans-65.7-39.8176.8-130.4179.5-176.6-167.7-2.3112.1R98 D99 A105 T106R98-R102 WeakPolarHBondContact O-CB 3.44Å; R98-R102 PolarHBondContact O-N 3.02Å; D99-R102 PolarHBondContact O-N 3.13Å; R102-A105 PolarHBondContact O-N 3.02Å; R102-T106 WeakPolarHBondContact O-CB 3.44Å; R102-T106 WeakPolarHBondContact O-CG2 3.4Å; R102-T106 PolarHBondContact O-N 2.74Å; R102-T106 VanDerWaalsContact O-N 3.08Å; R102-T106 PolarHBondContact O-OG1 2.85Å
103L68.9Low67.6Low105 Ų105128 Ų12855%0.5561%0.613SS.*Hα-helixtrans-66.9-40176.2-76165.5000112D99 R100D99-L103 WeakPolarHBondContact O-CB 3.32Å; D99-L103 VanDerWaalsContact O-CG 3.3Å; D99-L103 WeakPolarHBondContact O-CG 3.5Å; D99-L103 PolarHBondContact O-N 3.1Å; R100-L103 PolarHBondContact O-N 2.88Å
104L72.3Confident65.7Low139 Ų139126.4 Ų126.473%0.72862%0.615SS**Hα-helixtrans-66.1-38174.3-74165.1000112.2R100 E101R100-L104 HydrophobicContact CG-CD1 4.18Å; R100-L104 WeakPolarHBondContact O-CB 3.35Å; R100-L104 VanDerWaalsContact O-CG 3.31Å; R100-L104 WeakPolarHBondContact O-CG 3.31Å; R100-L104 PolarHBondContact O-N 3.36Å; E101-L104 PolarHBondContact O-N 3.07Å
105A72.1Confident63.9Low87 Ų87124.6 Ų124.672%0.71962%0.616SS**Hα-helixtrans-74.5-28.8-17900000113.9E101 R102E101-A105 WeakPolarHBondContact O-CB 3.5Å; E101-A105 PolarHBondContact O-N 3.43Å; R102-A105 PolarHBondContact O-N 3.02Å
106T71Confident62.1Low105 Ų105125 Ų12564%0.64462%0.62SS**THydrogen-bonded Turntrans-91.8-0.7-175.347.50000114.4R102 G108R102-T106 WeakPolarHBondContact O-CB 3.44Å; R102-T106 WeakPolarHBondContact O-CG2 3.4Å; R102-T106 PolarHBondContact O-N 2.74Å; R102-T106 VanDerWaalsContact O-N 3.08Å; R102-T106 PolarHBondContact O-OG1 2.85Å; T106-G108 PolarHBondContact O-N 3.43Å
107G54.7Low60.4Low63 Ų63124.8 Ų124.865%0.64963%0.628SS**  trans63.85.3170.400000115.8L109G107-L109 PolarHBondContact O-N 3.28Å; G107-L109 VanDerWaalsContact O-N 3.07Å
108G52.4Low58.8Low52 Ų52127.5 Ų127.554%0.53664%0.64SS.*  trans-85.266-174.200000113.3T106 R110T106-G108 PolarHBondContact O-N 3.43Å; G108-R110 PolarHBondContact O-N 2.59Å
109L45.2Very low56.8Low144 Ų144121.7 Ų121.775%0.75463%0.629SS**  trans-77.172.2171.7-79.5154.9000110.4G107 L113G107-L109 PolarHBondContact O-N 3.28Å; G107-L109 VanDerWaalsContact O-N 3.07Å; L109-L113 HydrophobicContact CD2-CD1 4.4Å
110R46.1Very low55Low224 Ų224125.5 Ų125.585%0.84564%0.644SS**  trans-93.3106167.5-80.5-168.9178.2-145.81.9110.2G108 D112G108-R110 PolarHBondContact O-N 2.59Å; R110-D112 PolarHBondContact O-N 3.35Å
111R44.4Very low53.2Low226 Ų226123.8 Ų123.885%0.85364%0.644SS**SBendtrans52.1-25.7143.2-147.8163.4165160.1-6.4121.6
112D43.7Very low51.4Low141 Ų141124.7 Ų124.775%0.75465%0.648SS**THydrogen-bonded Turntrans-87.1-10.8-179.8-67.8-17.7000113R110 I114 A115R110-D112 PolarHBondContact O-N 3.35Å; D112-I114 VanDerWaalsContact C-N 3.32Å; D112-I114 PolarHBondContact O-N 3.41Å; D112-A115 PolarHBondContact O-N 3.5Å
113L45.6Very low49.7Very low69 Ų69125.5 Ų125.536%0.36166%0.659SS.*Hα-helixtrans-80.5-0-179.4-113.9121.6000115.5L109 A115 L117L109-L113 HydrophobicContact CD2-CD1 4.4Å; L113-A115 VanDerWaalsContact C-N 3.3Å; L113-L117 HydrophobicContact CD2-CG 4.43Å; L113-L117 WeakPolarHBondContact O-CB 3.28Å; L113-L117 VanDerWaalsContact O-CD1 3.28Å; L113-L117 WeakPolarHBondContact O-CD1 3.24Å; L113-L117 WeakPolarHBondContact O-CG 3.42Å; L113-L117 PolarHBondContact O-N 3.16Å; L113-L117 VanDerWaalsContact O-N 3.16Å
114I44Very low48.1Very low118 Ų118129.9 Ų129.961%0.60568%0.677SS**Hα-helixtrans-75.9-24.9172-63.1175.9000110.4D112 Y118D112-I114 VanDerWaalsContact C-N 3.32Å; D112-I114 PolarHBondContact O-N 3.41Å; I114-Y118 WeakPolarHBondContact O-CD2 3.17Å
115A47.2Very low46.3Very low55 Ų55131.6 Ų131.646%0.45568%0.681SS.*Hα-helixtrans-74.3-41.9172.100000111.5D112 L113 L117 Y118D112-A115 PolarHBondContact O-N 3.5Å; L113-A115 VanDerWaalsContact C-N 3.3Å; A115-L117 PolarHBondContact O-N 3.33Å; A115-Y118 CarbonylContact O-C 3.32Å; A115-Y118 PolarHBondContact O-N 3Å; A115-Y118 VanDerWaalsContact O-N 3.15Å
116D45.7Very low44.7Very low122 Ų122132 Ų13265%0.65267%0.67SS**Hα-helixtrans-79.5-11.7-179.7-84.3-11000115.3
117L48Very low43.3Very low128 Ų128134.1 Ų134.167%0.6768%0.676SS**THydrogen-bonded Turntrans-79.4-10.1168.2-74.9165.6000112.4L113 A115L113-L117 HydrophobicContact CD2-CG 4.43Å; L113-L117 WeakPolarHBondContact O-CB 3.28Å; L113-L117 VanDerWaalsContact O-CD1 3.28Å; L113-L117 WeakPolarHBondContact O-CD1 3.24Å; L113-L117 WeakPolarHBondContact O-CG 3.42Å; L113-L117 PolarHBondContact O-N 3.16Å; L113-L117 VanDerWaalsContact O-N 3.16Å; A115-L117 PolarHBondContact O-N 3.33Å
118Y46Very low42.9Very low190 Ų190133 Ų13375%0.74566%0.657SS**SBendtrans-117.679.4166.5-67-77.9000108I114 A115 E120I114-Y118 WeakPolarHBondContact O-CD2 3.17Å; A115-Y118 CarbonylContact O-C 3.32Å; A115-Y118 PolarHBondContact O-N 3Å; A115-Y118 VanDerWaalsContact O-N 3.15Å; Y118-E120 PolarHBondContact O-N 3.29Å
119G38.8Very low42.8Very low35 Ų35133.3 Ų133.336%0.36166%0.655SS.*  trans-43.1107.1-170.700000115.4E121 E122G119-E121 PolarHBondContact O-N 3.04Å; G119-E122 PolarHBondContact O-N 2.84Å
120E40.8Very low43.1Very low169 Ų169135.6 Ų135.679%0.7965%0.653SS**THydrogen-bonded Turntrans-74.63.3163.1-69.7-172.6162.700112.3Y118Y118-E120 PolarHBondContact O-N 3.29Å
121E39.1Very low43.5Very low152 Ų152129.4 Ų129.471%0.7163%0.63SS**THydrogen-bonded Turntrans-100.76.2167.5-69.2-171.4164.900113.2R96 G119R96-E121 IonicContact NH2-OE1 3.01Å; R96-E121 PolarHBondContact NH2-OE1 3.15Å; R96-E121 VanDerWaalsContact NH2-OE1 3.1Å; R96-E121 IonicContact NH2-OE2 3.48Å; G119-E121 PolarHBondContact O-N 3.04Å
122E39.5Very low44.2Very low132 Ų132127.4 Ų127.462%0.61762%0.622SS**SBendtrans-113.6-1.5-177.4-75.8-146.5158.700115.3G119 I126G119-E122 PolarHBondContact O-N 2.84Å; E122-I126 HydrophobicContact CB-CD1 3.39Å; E122-I126 HydrophobicContact CB-CG1 4.35Å; E122-I126 VanDerWaalsContact CD-CD1 3.41Å; E122-I126 HydrophobicContact CG-CD1 3.43Å; E122-I126 VanDerWaalsContact CG-CD1 3.43Å; E122-I126 VanDerWaalsContact O-CB 3.24Å; E122-I126 WeakPolarHBondContact O-CB 3.37Å; E122-I126 VanDerWaalsContact O-CD1 3.25Å; E122-I126 WeakPolarHBondContact O-CD1 3.3Å; E122-I126 WeakPolarHBondContact O-CG1 3.26Å
123E38Very low45Very low180 Ų180129 Ų12984%0.84162%0.618SS**SBendtrans-106.3-4.2-176.9-70.6-167.7161.600116.3
124E35.2Very low45.7Very low197 Ų197129 Ų12992%0.92162%0.617SS**SBendtrans-109.3-7.4173.8-70.9-165.8159.800116
125E34.3Very low46.6Very low175 Ų175126.3 Ų126.382%0.81861%0.613SS**SBendtrans-130.85.2175.8-77.2-162.2150.500115.7I127E125-I127 VanDerWaalsContact C-N 3.33Å; E125-I127 PolarHBondContact O-N 3.39Å
126I38.2Very low47.4Very low94 Ų94128.9 Ų128.948%0.48262%0.615SS.*  trans-93.510.7-179-55.5-167.9000113.1E122 P128E122-I126 HydrophobicContact CB-CD1 3.39Å; E122-I126 HydrophobicContact CB-CG1 4.35Å; E122-I126 VanDerWaalsContact CD-CD1 3.41Å; E122-I126 HydrophobicContact CG-CD1 3.43Å; E122-I126 VanDerWaalsContact CG-CD1 3.43Å; E122-I126 VanDerWaalsContact O-CB 3.24Å; E122-I126 WeakPolarHBondContact O-CB 3.37Å; E122-I126 VanDerWaalsContact O-CD1 3.25Å; E122-I126 WeakPolarHBondContact O-CD1 3.3Å; E122-I126 WeakPolarHBondContact O-CG1 3.26Å; I126-P128 WeakPolarHBondContact O-CA 3.4Å; I126-P128 WeakPolarHBondContact O-CB 3.2Å
127I41.9Very low48.2Very low151 Ų151130.9 Ų130.977%0.77461%0.614SS**SBendtrans-80.7110.1153.7-54.1176.3000107E125E125-I127 VanDerWaalsContact C-N 3.33Å; E125-I127 PolarHBondContact O-N 3.39Å
128P47.7Very low48.9Very low38 Ų38130.2 Ų130.225%0.24762%0.615CS.*  -98.5136-10427.9-26.2000112.2I126 R130 R131 R132I126-P128 WeakPolarHBondContact O-CA 3.4Å; I126-P128 WeakPolarHBondContact O-CB 3.2Å; P128-R130 HydrophobicContact CB-CB 4.41Å; P128-R130 CarbonylContact O-C 3.55Å; P128-R130 PolarHBondContact O-N 3.24Å; P128-R131 HydrophobicContact CG-CB 3.51Å; P128-R131 HydrophobicContact CG-CG 3.43Å; P128-R131 VanDerWaalsContact CG-CG 3.43Å; P128-R131 WeakPolarHBondContact O-CA 3.33Å; P128-R131 PolarHBondContact O-N 3.45Å; P128-R132 PolarHBondContact O-N 2.97Å
129A49.8Very low50Low60 Ų60125.4 Ų125.450%0.49661%0.614SS.*Hα-helixtrans-49.7-23.3166.200000112.7R133A129-R133 WeakPolarHBondContact O-CB 3.24Å; A129-R133 VanDerWaalsContact O-CG 3.24Å; A129-R133 WeakPolarHBondContact O-CG 3.48Å; A129-R133 PolarHBondContact O-N 3.15Å
130R51.2Low51.4Low192 Ų192127.7 Ų127.773%0.72563%0.629SS**Hα-helixtrans-73.1-41.5170.6-158.6176.3-175.5-131.10.7113.7P128 I134P128-R130 HydrophobicContact CB-CB 4.41Å; P128-R130 CarbonylContact O-C 3.55Å; P128-R130 PolarHBondContact O-N 3.24Å; R130-I134 HydrophobicContact CG-CD1 4.14Å; R130-I134 WeakPolarHBondContact O-CB 3.38Å; R130-I134 WeakPolarHBondContact O-CD1 3.3Å; R130-I134 WeakPolarHBondContact O-CG1 3.45Å; R130-I134 PolarHBondContact O-N 2.93Å
131R54.8Low52.1Low93 Ų93122.5 Ų122.535%0.35162%0.621SS.*Hα-helixtrans-67.2-39.3172.2-84.6177.1170.8169-2.1110.7P128 I134 A135 V151 L152P128-R131 HydrophobicContact CG-CB 3.51Å; P128-R131 HydrophobicContact CG-CG 3.43Å; P128-R131 VanDerWaalsContact CG-CG 3.43Å; P128-R131 WeakPolarHBondContact O-CA 3.33Å; P128-R131 PolarHBondContact O-N 3.45Å; R131-I134 PolarHBondContact O-N 3.46Å; R131-A135 VanDerWaalsContact O-CB 3.3Å; R131-A135 WeakPolarHBondContact O-CB 3.17Å; R131-A135 PolarHBondContact O-N 3.28Å; R131-V151 HydrophobicContact CG-CG1 3.83Å; R131-V151 VanDerWaalsContact NE-CG1 3.31Å; R131-L152 PolarHBondContact NH2-O 3.49Å
132R58.4Low53.1Low185 Ų185120.6 Ų120.670%0.69862%0.616SS**Hα-helixtrans-63-45176.3-160.5176-179.7170.24.8111.4P128 I134 A135 E136P128-R132 PolarHBondContact O-N 2.97Å; R132-I134 PolarHBondContact O-N 3.43Å; R132-A135 PolarHBondContact O-N 3.16Å; R132-E136 IonicContact NE-OE1 3.65Å; R132-E136 VanDerWaalsContact O-CB 3.3Å; R132-E136 WeakPolarHBondContact O-CB 3.25Å; R132-E136 VanDerWaalsContact O-CG 3.26Å; R132-E136 WeakPolarHBondContact O-CG 3.11Å; R132-E136 PolarHBondContact O-N 2.68Å
133R60.1Low53.4Low175 Ų175123.8 Ų123.866%0.6663%0.631SS**Hα-helixtrans-64.6-35.2173.9-76.4-177.9-141.7-1714.8113.9A129 R137A129-R133 WeakPolarHBondContact O-CB 3.24Å; A129-R133 VanDerWaalsContact O-CG 3.24Å; A129-R133 WeakPolarHBondContact O-CG 3.48Å; A129-R133 PolarHBondContact O-N 3.15Å; R133-R137 WeakPolarHBondContact O-CB 3.3Å; R133-R137 PolarHBondContact O-N 2.98Å
134I60.1Low53.7Low68 Ų68117.3 Ų117.335%0.34961%0.613SS.*Hα-helixtrans-71.6-44.2176.7-70.1164.4000110.2R130 R131 R132 E136 R137 V138 V151R130-I134 HydrophobicContact CG-CD1 4.14Å; R130-I134 WeakPolarHBondContact O-CB 3.38Å; R130-I134 WeakPolarHBondContact O-CD1 3.3Å; R130-I134 WeakPolarHBondContact O-CG1 3.45Å; R130-I134 PolarHBondContact O-N 2.93Å; R131-I134 PolarHBondContact O-N 3.46Å; R132-I134 PolarHBondContact O-N 3.43Å; I134-E136 PolarHBondContact O-N 3.5Å; I134-R137 PolarHBondContact O-N 2.77Å; I134-V138 VanDerWaalsContact O-CG2 3.3Å; I134-V138 WeakPolarHBondContact O-CG2 3.4Å; I134-V138 PolarHBondContact O-N 2.9Å; I134-V151 HydrophobicContact CD1-CG2 4.09Å
135A62.9Low54.3Low61 Ų61116.6 Ų116.650%0.50462%0.615SS.*Hα-helixtrans-64.1-38.8175.300000112.1R131 R132 V138 A139R131-A135 VanDerWaalsContact O-CB 3.3Å; R131-A135 WeakPolarHBondContact O-CB 3.17Å; R131-A135 PolarHBondContact O-N 3.28Å; R132-A135 PolarHBondContact O-N 3.16Å; A135-V138 PolarHBondContact O-N 2.83Å; A135-A139 VanDerWaalsContact O-CB 3.24Å; A135-A139 WeakPolarHBondContact O-CB 3.43Å; A135-A139 PolarHBondContact O-N 3.07Å
136E64.5Low54.7Low109 Ų109115.5 Ų115.551%0.50961%0.614SS.*Hα-helixtrans-66.4-37.5173.2-76.5170.5-179.900112R132 I134 A139 A140R132-E136 IonicContact NE-OE1 3.65Å; R132-E136 VanDerWaalsContact O-CB 3.3Å; R132-E136 WeakPolarHBondContact O-CB 3.25Å; R132-E136 VanDerWaalsContact O-CG 3.26Å; R132-E136 WeakPolarHBondContact O-CG 3.11Å; R132-E136 PolarHBondContact O-N 2.68Å; I134-E136 PolarHBondContact O-N 3.5Å; E136-A139 PolarHBondContact O-N 2.9Å; E136-A140 WeakPolarHBondContact O-CB 3.24Å; E136-A140 PolarHBondContact O-N 3.3Å
137R62.7Low55.1Low165 Ų165118.6 Ų118.662%0.62363%0.627SS**Hα-helixtrans-66.6-42.2173.2-94-176.4173.3175.3-3.5113R133 I134 A140R133-R137 WeakPolarHBondContact O-CB 3.3Å; R133-R137 PolarHBondContact O-N 2.98Å; I134-R137 PolarHBondContact O-N 2.77Å; R137-A140 PolarHBondContact O-N 2.98Å
138V63.8Low55.3Low114 Ų114117.5 Ų117.569%0.69163%0.629SS**Hα-helixtrans-66.1-39.9175.9173.10000110.6I134 A135 A140 G141I134-V138 VanDerWaalsContact O-CG2 3.3Å; I134-V138 WeakPolarHBondContact O-CG2 3.4Å; I134-V138 PolarHBondContact O-N 2.9Å; A135-V138 PolarHBondContact O-N 2.83Å; V138-A140 VanDerWaalsContact C-N 3.31Å; V138-A140 PolarHBondContact O-N 3.5Å; V138-G141 PolarHBondContact O-N 2.91Å
139A67.8Low55.2Low89 Ų89123.6 Ų123.674%0.73666%0.655SS**Hα-helixtrans-70.2-24.3175.100000113.6A135 E136 G141A135-A139 VanDerWaalsContact O-CB 3.24Å; A135-A139 WeakPolarHBondContact O-CB 3.43Å; A135-A139 PolarHBondContact O-N 3.07Å; E136-A139 PolarHBondContact O-N 2.9Å; A139-G141 VanDerWaalsContact C-N 3.31Å
140A69.6Low55.1Low82 Ų82123.8 Ų123.868%0.67866%0.662SS**THydrogen-bonded Turntrans-83.51.6177.700000114.4E136 R137 V138E136-A140 WeakPolarHBondContact O-CB 3.24Å; E136-A140 PolarHBondContact O-N 3.3Å; R137-A140 PolarHBondContact O-N 2.98Å; V138-A140 VanDerWaalsContact C-N 3.31Å; V138-A140 PolarHBondContact O-N 3.5Å
141G53.7Low55Low60 Ų60117.6 Ų117.662%0.61965%0.646SS**THydrogen-bonded Turntrans73.42417400000115V138 A139 E143V138-G141 PolarHBondContact O-N 2.91Å; A139-G141 VanDerWaalsContact C-N 3.31Å; G141-E143 VanDerWaalsContact C-N 3.35Å; G141-E143 PolarHBondContact O-N 3.46Å
142D60.8Low55Low112 Ų112115.9 Ų115.960%0.59964%0.643SS**  trans-79.782.5175.3-16432.2000109.6G144D142-G144 PolarHBondContact O-N 2.87Å
143E45.2Very low54.9Low199 Ų199114.7 Ų114.793%0.9365%0.645SS**  trans-71.568.7171.4-70.3-174.9160.700110.3G141G141-E143 VanDerWaalsContact C-N 3.35Å; G141-E143 PolarHBondContact O-N 3.46Å
144G45.8Very low55Low45 Ų45109.5 Ų109.546%0.46464%0.636SS.*  trans-98.4125.7164.100000109.7D142 L146D142-G144 PolarHBondContact O-N 2.87Å; G144-L146 PolarHBondContact O-N 3.28Å
145D46.3Very low55.4Low182 Ų182107.8 Ų107.897%0.97363%0.627SS**  trans-51.870.3178.8-73.4-44.5000114.6
146L44Very low55.5Low151 Ų151112.3 Ų112.379%0.79164%0.638SS**  trans-111.798.8166.2-84.3156.2000106.6G144G144-L146 PolarHBondContact O-N 3.28Å
147E46.7Very low56Low160 Ų160112.5 Ų112.575%0.74864%0.642SS**  trans-47.5131.5167.4-70.1-175.7152.100109.2E149E147-E149 PolarHBondContact O-N 3.26Å
148P45Very low56.7Low127 Ų127104.7 Ų104.783%0.82561%0.613SS**SBendtrans-7757.2-17633.2-35.2000110.7G150P148-G150 PolarHBondContact O-N 3.03Å
149E45.3Very low57.3Low167 Ų167106.1 Ų106.178%0.7861%0.612SS**  trans-82.32.2174.1-80.5-158.6145.700113.2E147E147-E149 PolarHBondContact O-N 3.26Å
150G48.6Very low58.1Low63 Ų63106.6 Ų106.665%0.64960%0.602SS**SBendtrans-111-7.6-165.300000118P148P148-G150 PolarHBondContact O-N 3.03Å
151V49.1Very low58.4Low63 Ų63105.3 Ų105.338%0.38258%0.583SS.*  trans-132.575.8-177.8-167.70000109.3R131 I134 E153R131-V151 HydrophobicContact CG-CG1 3.83Å; R131-V151 VanDerWaalsContact NE-CG1 3.31Å; I134-V151 HydrophobicContact CD1-CG2 4.09Å; V151-E153 PolarHBondContact O-N 3.05Å
152L55.6Low59.8Low57 Ų57109.2 Ų109.230%0.29858%0.583SS.*PPolyproline II helixtrans-68125.1168.9-68.3155.3000107.6R131 S154 V174 Q177R131-L152 PolarHBondContact NH2-O 3.49Å; L152-S154 PolarHBondContact O-N 3.45Å; L152-V174 HydrophobicContact CB-CG1 4.45Å; L152-V174 HydrophobicContact CD2-CB 4.17Å; L152-V174 HydrophobicContact CD2-CG1 4.47Å; L152-V174 HydrophobicContact CD2-CG2 3.51Å; L152-Q177 HydrophobicContact CD1-CG 4.29Å
153E55.6Low60.8Low159 Ų159108 Ų10874%0.74360%0.596SS**PPolyproline II helixtrans-64.8126.4171-67.1178.4168.700107.9V151 I155 V174V151-E153 PolarHBondContact O-N 3.05Å; E153-I155 PolarHBondContact O-N 2.83Å; E153-V174 WeakPolarHBondContact O-CG1 3.37Å
154S62.9Low62.8Low66 Ų66101.2 Ų101.246%0.46257%0.565SS.*PPolyproline II helixtrans-64.8122.9174.942.50000108.3L152 E156L152-S154 PolarHBondContact O-N 3.45Å; S154-E156 PolarHBondContact O-N 3.46Å
155I67.6Low64.9Low32 Ų32101.6 Ų101.616%0.16456%0.561CS.*  trans-81.3103175.4-61.6171.5000107E153 N157 W169 V174 R182E153-I155 PolarHBondContact O-N 2.83Å; I155-N157 VanDerWaalsContact C-N 3.26Å; I155-N157 WeakPolarHBondContact CG2-O 3.42Å; I155-N157 PolarHBondContact O-N 3.25Å; I155-W169 HydrophobicContact CD1-CH2 4.09Å; I155-W169 HydrophobicContact CD1-CZ2 4.21Å; I155-V174 HydrophobicContact CD1-CB 3.98Å; I155-V174 HydrophobicContact CD1-CG1 3.57Å; I155-V174 HydrophobicContact CG1-CG1 3.7Å; I155-R182 PolarHBondContact O-NH2 3.32Å
156E65.8Low67Low157 Ų15793.5 Ų93.573%0.73452%0.518SS*.SBendtrans-62.1-38.1175.9-65.6178179.100111.1S154 R182S154-E156 PolarHBondContact O-N 3.46Å; E156-R182 PolarHBondContact O-NH2 3.35Å
157N73.4Confident69.2Low113 Ų11389 Ų8960%0.60450%0.497SS*.  trans-109.881.4-177.7-65.8-23.2000111.8I155 E159 D160I155-N157 VanDerWaalsContact C-N 3.26Å; I155-N157 WeakPolarHBondContact CG2-O 3.42Å; I155-N157 PolarHBondContact O-N 3.25Å; N157-E159 PolarHBondContact O-N 2.98Å; N157-E159 VanDerWaalsContact O-N 3.16Å; N157-D160 PolarHBondContact O-N 2.73Å
158L79Confident71.4Confident1 Ų186.3 Ų86.31%0.00548%0.484CS..THydrogen-bonded Turntrans-59.5-19.9172.1-100.8137000113.7D160 W169 T175 E178 I179 V227 F231L158-D160 VanDerWaalsContact C-N 3.31Å; L158-W169 PolarHBondContact O-NE1 3.32Å; L158-W169 VanDerWaalsContact O-NE1 3.15Å; L158-T175 HydrophobicContact CD2-CG2 3.57Å; L158-E178 HydrophobicContact CD1-CB 4.15Å; L158-E178 HydrophobicContact CD1-CG 3.3Å; L158-E178 HydrophobicContact CG-CG 4.1Å; L158-I179 HydrophobicContact CD2-CD1 4.27Å; L158-I179 HydrophobicContact CD2-CG1 3.73Å; L158-V227 HydrophobicContact CB-CG1 3.84Å; L158-F231 HydrophobicContact CB-CE2 4.48Å; L158-F231 HydrophobicContact CD2-CE2 3.82Å
159E76.5Confident73.6Confident143 Ų14380.6 Ų80.667%0.66845%0.446SS*.THydrogen-bonded Turntrans-68.7-27.3179.6-61.3-179.4178.200112.9N157 M161 V227N157-E159 PolarHBondContact O-N 2.98Å; N157-E159 VanDerWaalsContact O-N 3.16Å; E159-M161 PolarHBondContact O-N 3.46Å; E159-V227 HydrophobicContact CG-CG1 4.46Å; E159-V227 HydrophobicContact CG-CG2 3.65Å
160D82.8Confident75.8Confident100 Ų10072.7 Ų72.754%0.53541%0.409SS..  trans-81.486.5177-173.98.1000110.2N157 L158 K162 W169N157-D160 PolarHBondContact O-N 2.73Å; L158-D160 VanDerWaalsContact C-N 3.31Å; D160-K162 PolarHBondContact O-N 2.79Å; D160-K162 PolarHBondContact OD1-N 3.45Å; D160-W169 WeakPolarHBondContact O-CH2 3.49Å; D160-W169 VanDerWaalsContact O-CZ2 3.26Å; D160-W169 WeakPolarHBondContact O-CZ2 3.5Å
161M76.8Confident77.8Confident55 Ų5574.7 Ų74.727%0.27140%0.402SS..  trans-68.11.5-179.8-58.8-174.8-65.600113.7E159 G163 M164 V166 W169 F231E159-M161 PolarHBondContact O-N 3.46Å; M161-G163 PolarHBondContact O-N 3.27Å; M161-M164 PolarHBondContact O-N 2.78Å; M161-V166 HydrophobicContact SD-CG2 3.68Å; M161-W169 HydrophobicContact CB-CG 4.5Å; M161-W169 HydrophobicContact CG-CG 4.49Å; M161-F231 HydrophobicContact SD-CE1 4.2Å
162K82.8Confident79.8Confident142 Ų14275.7 Ų75.762%0.61740%0.402SS*.THydrogen-bonded Turntrans49.730.3179.6-61.1-179.6-178.5177.10113.6D160 M164 W169D160-K162 PolarHBondContact O-N 2.79Å; D160-K162 PolarHBondContact OD1-N 3.45Å; K162-M164 VanDerWaalsContact C-N 3.31Å; K162-M164 HydrophobicContact CB-CE 3.99Å; K162-M164 PolarHBondContact O-N 3.42Å; K162-W169 HydrophobicContact CB-CZ3 4.49Å; K162-W169 HydrophobicContact CD-CH2 4.08Å; K162-W169 HydrophobicContact CD-CZ3 4.14Å; K162-W169 HydrophobicContact CG-CH2 4.26Å; K162-W169 HydrophobicContact CG-CZ3 4.37Å
163G81.6Confident81.5Confident85 Ų8576.6 Ų76.688%0.87641%0.411SS*.THydrogen-bonded Turntrans755.8-179.200000116.5M161M161-G163 PolarHBondContact O-N 3.27Å
164M87.6Confident83.1Confident57 Ų5770.9 Ų70.928%0.28139%0.388SS..  trans-79.4159.1173.5-73.3175.4-86.100111.7M161 K162 E168 W169 Q172M161-M164 PolarHBondContact O-N 2.78Å; K162-M164 VanDerWaalsContact C-N 3.31Å; K162-M164 HydrophobicContact CB-CE 3.99Å; K162-M164 PolarHBondContact O-N 3.42Å; M164-E168 HydrophobicContact CB-CB 4.41Å; M164-W169 HydrophobicContact CE-CE3 3.29Å; M164-W169 HydrophobicContact CE-CZ3 3.35Å; M164-W169 HydrophobicContact SD-CE3 4.28Å; M164-Q172 HydrophobicContact SD-CG 4.47Å
165S90.2Very high84.4Confident54 Ų5467.8 Ų67.838%0.37837%0.366SS..  trans-66.6152.9167.866.20000110.6V167 E168 W169S165-V167 PolarHBondContact O-N 3.36Å; S165-E168 PolarHBondContact N-OE2 3.47Å; S165-E168 PolarHBondContact O-N 2.96Å; S165-E168 VanDerWaalsContact O-N 3.16Å; S165-E168 WeakPolarHBondContact OG-CB 3.23Å; S165-E168 VanDerWaalsContact OG-CG 3.24Å; S165-E168 WeakPolarHBondContact OG-CG 3.44Å; S165-E168 PolarHBondContact OG-N 3.05Å; S165-E168 PolarHBondContact OG-OE2 3.21Å; S165-W169 WeakPolarHBondContact O-CB 3.33Å; S165-W169 PolarHBondContact O-N 2.91Å
166V90.2Very high85.6Confident11 Ų1170 Ų707%0.06737%0.372CS..Hα-helixtrans-56.3-38.7179.2177.30000111.2M161 W169 V170 Y230 F231 E234 A235M161-V166 HydrophobicContact SD-CG2 3.68Å; V166-W169 PolarHBondContact O-N 2.98Å; V166-V170 HydrophobicContact CG1-CG2 4.28Å; V166-V170 VanDerWaalsContact O-CG2 3.26Å; V166-V170 WeakPolarHBondContact O-CG2 3.43Å; V166-V170 PolarHBondContact O-N 2.84Å; V166-Y230 HydrophobicContact CG2-CE1 4.35Å; V166-F231 HydrophobicContact CG1-CB 4.42Å; V166-F231 HydrophobicContact CG1-CD1 3.6Å; V166-F231 HydrophobicContact CG1-CE1 4.25Å; V166-F231 HydrophobicContact CG1-CG 4.3Å; V166-E234 HydrophobicContact CB-CG 3.85Å; V166-E234 HydrophobicContact CG1-CB 4.24Å; V166-E234 HydrophobicContact CG1-CG 4.07Å; V166-E234 HydrophobicContact CG2-CG 3.94Å; V166-A235 HydrophobicContact CG1-CB 4.07Å
167V91Very high86.9Confident57 Ų5767.2 Ų67.235%0.34536%0.359SS..Hα-helixtrans-62.3-49.2178.5178.10000111.3S165 W169 Q171 A235S165-V167 PolarHBondContact O-N 3.36Å; V167-W169 VanDerWaalsContact C-N 3.33Å; V167-Q171 VanDerWaalsContact O-CG 3.31Å; V167-Q171 WeakPolarHBondContact O-CG 3.31Å; V167-Q171 PolarHBondContact O-N 3.49Å; V167-A235 HydrophobicContact CG2-CB 4.03Å
168E92.2Very high87.7Confident103 Ų10363.2 Ų63.248%0.48134%0.337SS..Hα-helixtrans-67.4-35.8178.3-70.3164.2154.700111.7M164 S165 Q171 Q172M164-E168 HydrophobicContact CB-CB 4.41Å; S165-E168 PolarHBondContact N-OE2 3.47Å; S165-E168 PolarHBondContact O-N 2.96Å; S165-E168 VanDerWaalsContact O-N 3.16Å; S165-E168 WeakPolarHBondContact OG-CB 3.23Å; S165-E168 VanDerWaalsContact OG-CG 3.24Å; S165-E168 WeakPolarHBondContact OG-CG 3.44Å; S165-E168 PolarHBondContact OG-N 3.05Å; S165-E168 PolarHBondContact OG-OE2 3.21Å; E168-Q171 PolarHBondContact O-N 3.1Å; E168-Q172 PolarHBondContact O-N 2.89Å
169W91.5Very high88.4Confident7 Ų763.2 Ų63.23%0.02734%0.337CS..Hα-helixtrans-64.1-47.2178.7-175.6-124000112.2I155 L158 D160 M161 K162 M164 S165 V166 V167 Q171 Q172 T175I155-W169 HydrophobicContact CD1-CH2 4.09Å; I155-W169 HydrophobicContact CD1-CZ2 4.21Å; L158-W169 PolarHBondContact O-NE1 3.32Å; L158-W169 VanDerWaalsContact O-NE1 3.15Å; D160-W169 WeakPolarHBondContact O-CH2 3.49Å; D160-W169 VanDerWaalsContact O-CZ2 3.26Å; D160-W169 WeakPolarHBondContact O-CZ2 3.5Å; M161-W169 HydrophobicContact CB-CG 4.5Å; M161-W169 HydrophobicContact CG-CG 4.49Å; K162-W169 HydrophobicContact CB-CZ3 4.49Å; K162-W169 HydrophobicContact CD-CH2 4.08Å; K162-W169 HydrophobicContact CD-CZ3 4.14Å; K162-W169 HydrophobicContact CG-CH2 4.26Å; K162-W169 HydrophobicContact CG-CZ3 4.37Å; M164-W169 HydrophobicContact CE-CE3 3.29Å; M164-W169 HydrophobicContact CE-CZ3 3.35Å; M164-W169 HydrophobicContact SD-CE3 4.28Å; S165-W169 WeakPolarHBondContact O-CB 3.33Å; S165-W169 PolarHBondContact O-N 2.91Å; V166-W169 PolarHBondContact O-N 2.98Å; V167-W169 VanDerWaalsContact C-N 3.33Å; W169-Q171 PolarHBondContact O-N 3.23Å; W169-Q172 HydrophobicContact CE3-CG 4.47Å; W169-Q172 WeakPolarHBondContact O-CB 3.5Å; W169-Q172 PolarHBondContact O-N 2.73Å; W169-T175 HydrophobicContact CD2-CG2 4.17Å; W169-T175 HydrophobicContact CG-CG2 4.16Å; W169-T175 HydrophobicContact CZ2-CG2 4.47Å; W169-T175 WeakPolarHBondContact O-CB 3.29Å; W169-T175 WeakPolarHBondContact O-CG2 3.31Å; W169-T175 PolarHBondContact O-OG1 3.06Å
170V90.7Very high89.3Confident1 Ų157.8 Ų57.81%0.00631%0.311CS..Hα-helixtrans-66.2-27.4178.4173.70000111.9V166 Q172 I179 H238 V239 I242V166-V170 HydrophobicContact CG1-CG2 4.28Å; V166-V170 VanDerWaalsContact O-CG2 3.26Å; V166-V170 WeakPolarHBondContact O-CG2 3.43Å; V166-V170 PolarHBondContact O-N 2.84Å; V170-Q172 VanDerWaalsContact C-N 3.35Å; V170-I179 HydrophobicContact CB-CD1 4.34Å; V170-I179 HydrophobicContact CG1-CD1 4Å; V170-I179 HydrophobicContact CG2-CD1 3.94Å; V170-H238 HydrophobicContact CG1-CB 3.85Å; V170-V239 HydrophobicContact CG1-CG2 4.08Å; V170-V239 HydrophobicContact CG2-CG2 4.29Å; V170-I242 HydrophobicContact CG1-CD1 3.64Å
171Q90.6Very high89.8Confident106 Ų10656.8 Ų56.850%0.49531%0.306SS..Hα-helixtrans-74.9-20.5176.7-74.6178.31200113.8V167 E168 W169 H238V167-Q171 VanDerWaalsContact O-CG 3.31Å; V167-Q171 WeakPolarHBondContact O-CG 3.31Å; V167-Q171 PolarHBondContact O-N 3.49Å; E168-Q171 PolarHBondContact O-N 3.1Å; W169-Q171 PolarHBondContact O-N 3.23Å; Q171-H238 PolarHBondContact NE2-CE1 3.4Å; Q171-H238 PolarHBondContact NE2-NE2 3.18Å
172Q91.8Very high90.5Very high84 Ų8456.2 Ų56.239%0.39330%0.301SS..SBendtrans-60.4134.7176.8-67.8-61.2-28.700110.3M164 E168 W169 V170 V174 T175 R176M164-Q172 HydrophobicContact SD-CG 4.47Å; E168-Q172 PolarHBondContact O-N 2.89Å; W169-Q172 HydrophobicContact CE3-CG 4.47Å; W169-Q172 WeakPolarHBondContact O-CB 3.5Å; W169-Q172 PolarHBondContact O-N 2.73Å; V170-Q172 VanDerWaalsContact C-N 3.35Å; Q172-V174 VanDerWaalsContact C-N 3.28Å; Q172-V174 PolarHBondContact O-N 3.32Å; Q172-T175 PolarHBondContact O-N 2.95Å; Q172-R176 WeakPolarHBondContact O-CB 3.43Å; Q172-R176 PolarHBondContact O-N 3.22Å
173P90.8Very high91.1Very high75 Ų7549.5 Ų49.549%0.48727%0.271SS..Hα-helixtrans-62.5-35.6-173.323.6-33.4000112.7Q177P173-Q177 WeakPolarHBondContact O-CG 3.45Å; P173-Q177 PolarHBondContact O-N 2.68Å; P173-Q177 VanDerWaalsContact O-N 3.1Å
174V90Very high91.7Very high40 Ų4047.2 Ų47.224%0.24224%0.237CC..Hα-helixtrans-61.6-53.6176.1-165.30000110.2L152 E153 I155 Q172 R176 Q177 E178L152-V174 HydrophobicContact CB-CG1 4.45Å; L152-V174 HydrophobicContact CD2-CB 4.17Å; L152-V174 HydrophobicContact CD2-CG1 4.47Å; L152-V174 HydrophobicContact CD2-CG2 3.51Å; E153-V174 WeakPolarHBondContact O-CG1 3.37Å; I155-V174 HydrophobicContact CD1-CB 3.98Å; I155-V174 HydrophobicContact CD1-CG1 3.57Å; I155-V174 HydrophobicContact CG1-CG1 3.7Å; Q172-V174 VanDerWaalsContact C-N 3.28Å; Q172-V174 PolarHBondContact O-N 3.32Å; V174-R176 PolarHBondContact O-N 3.46Å; V174-Q177 PolarHBondContact O-N 3.4Å; V174-E178 PolarHBondContact O-N 3.47Å
175T90.4Very high91.9Very high1 Ų146.5 Ų46.51%0.00624%0.241CC..Hα-helixtrans-64.4-41.8-178.5-46.40000111.3L158 W169 Q172 Q177 E178 I179L158-T175 HydrophobicContact CD2-CG2 3.57Å; W169-T175 HydrophobicContact CD2-CG2 4.17Å; W169-T175 HydrophobicContact CG-CG2 4.16Å; W169-T175 HydrophobicContact CZ2-CG2 4.47Å; W169-T175 WeakPolarHBondContact O-CB 3.29Å; W169-T175 WeakPolarHBondContact O-CG2 3.31Å; W169-T175 PolarHBondContact O-OG1 3.06Å; Q172-T175 PolarHBondContact O-N 2.95Å; T175-Q177 VanDerWaalsContact C-N 3.33Å; T175-Q177 PolarHBondContact O-N 3.44Å; T175-E178 PolarHBondContact O-N 3Å; T175-I179 HydrophobicContact CG2-CD1 3.99Å; T175-I179 HydrophobicContact CG2-CG1 4.45Å; T175-I179 WeakPolarHBondContact O-CB 3.34Å; T175-I179 VanDerWaalsContact O-CG1 3.28Å; T175-I179 WeakPolarHBondContact O-CG1 3.39Å; T175-I179 PolarHBondContact O-N 3.47Å
176R93Very high92.1Very high77 Ų7744.1 Ų44.129%0.29122%0.223SC..Hα-helixtrans-56.2-46.4175.4-177.7175.3-179.7146.62.6111.4Q172 V174 K180 E241 I242 E245Q172-R176 WeakPolarHBondContact O-CB 3.43Å; Q172-R176 PolarHBondContact O-N 3.22Å; V174-R176 PolarHBondContact O-N 3.46Å; R176-K180 WeakPolarHBondContact O-CB 3.46Å; R176-K180 PolarHBondContact O-N 2.91Å; R176-K180 VanDerWaalsContact O-N 3.09Å; R176-E241 IonicContact CZ-OE1 3.4Å; R176-E241 IonicContact NH1-OE1 2.7Å; R176-E241 IonicContact NH2-OE1 3.58Å; R176-E241 PolarHBondContact NH2-OE1 2.95Å; R176-I242 HydrophobicContact CB-CD1 4.31Å; R176-I242 HydrophobicContact CG-CD1 3.74Å; R176-I242 HydrophobicContact CG-CG1 3.8Å; R176-E245 IonicContact CZ-OE1 3.33Å; R176-E245 IonicContact NH2-OE1 2.72Å; R176-E245 PolarHBondContact NH2-OE1 2.77Å
177Q92.3Very high92.2Very high99 Ų9943.6 Ų43.646%0.46322%0.22SC..Hα-helixtrans-68.2-39.1178.3-73.7-16815.900112.5L152 P173 V174 T175 K180 N181L152-Q177 HydrophobicContact CD1-CG 4.29Å; P173-Q177 WeakPolarHBondContact O-CG 3.45Å; P173-Q177 PolarHBondContact O-N 2.68Å; P173-Q177 VanDerWaalsContact O-N 3.1Å; V174-Q177 PolarHBondContact O-N 3.4Å; T175-Q177 VanDerWaalsContact C-N 3.33Å; T175-Q177 PolarHBondContact O-N 3.44Å; Q177-K180 WeakPolarHBondContact O-CB 3.32Å; Q177-K180 PolarHBondContact O-N 3.23Å; Q177-N181 VanDerWaalsContact O-CG 3.23Å; Q177-N181 PolarHBondContact O-N 2.58Å; Q177-N181 PolarHBondContact O-ND2 3.07Å
178E91.2Very high92.2Very high30 Ų3047.1 Ų47.114%0.1423%0.227CC..Hα-helixtrans-65.7-45.4177.9-173.862.1-158.100111.6L158 V174 T175 K180 N181 R182L158-E178 HydrophobicContact CD1-CB 4.15Å; L158-E178 HydrophobicContact CD1-CG 3.3Å; L158-E178 HydrophobicContact CG-CG 4.1Å; V174-E178 PolarHBondContact O-N 3.47Å; T175-E178 PolarHBondContact O-N 3Å; E178-K180 VanDerWaalsContact C-N 3.26Å; E178-K180 PolarHBondContact O-N 3.39Å; E178-N181 PolarHBondContact O-N 2.88Å; E178-N181 VanDerWaalsContact O-N 3.1Å; E178-R182 WeakPolarHBondContact O-CG 3.4Å; E178-R182 PolarHBondContact O-N 3.35Å; E178-R182 IonicContact OE1-CZ 3.64Å; E178-R182 IonicContact OE1-NE 3.1Å; E178-R182 PolarHBondContact OE1-NE 3.34Å; E178-R182 VanDerWaalsContact OE1-NE 3.08Å; E178-R182 IonicContact OE1-NH2 3.95Å
179I93.4Very high92.1Very high0 Ų047 Ų470%023%0.233CC..Hα-helixtrans-55.3-44.9173-70.1168.4000110.4L158 V170 T175 N181 F183 L228 F231 I242 F243L158-I179 HydrophobicContact CD2-CD1 4.27Å; L158-I179 HydrophobicContact CD2-CG1 3.73Å; V170-I179 HydrophobicContact CB-CD1 4.34Å; V170-I179 HydrophobicContact CG1-CD1 4Å; V170-I179 HydrophobicContact CG2-CD1 3.94Å; T175-I179 HydrophobicContact CG2-CD1 3.99Å; T175-I179 HydrophobicContact CG2-CG1 4.45Å; T175-I179 WeakPolarHBondContact O-CB 3.34Å; T175-I179 VanDerWaalsContact O-CG1 3.28Å; T175-I179 WeakPolarHBondContact O-CG1 3.39Å; T175-I179 PolarHBondContact O-N 3.47Å; I179-N181 PolarHBondContact O-N 2.76Å; I179-F183 WeakPolarHBondContact O-CB 3.35Å; I179-F183 PolarHBondContact O-N 3.4Å; I179-L228 HydrophobicContact CB-CD2 4.25Å; I179-L228 HydrophobicContact CG1-CD2 4.05Å; I179-L228 HydrophobicContact CG2-CD2 3.81Å; I179-F231 HydrophobicContact CD1-CD2 4.47Å; I179-I242 HydrophobicContact CB-CG2 4.32Å; I179-I242 HydrophobicContact CD1-CD1 4.44Å; I179-I242 HydrophobicContact CG2-CB 4.39Å; I179-I242 HydrophobicContact CG2-CD1 4.26Å; I179-I242 HydrophobicContact CG2-CG2 3.77Å; I179-F243 HydrophobicContact CG2-CE1 4.09Å
180K94.8Very high92Very high29 Ų2947.6 Ų47.613%0.12624%0.237CC..Hα-helixtrans-60.3-44.6177.3-169.9177.2-177.1165.40111.7R176 Q177 E178 K184 I242 E245 A246 E249R176-K180 WeakPolarHBondContact O-CB 3.46Å; R176-K180 PolarHBondContact O-N 2.91Å; R176-K180 VanDerWaalsContact O-N 3.09Å; Q177-K180 WeakPolarHBondContact O-CB 3.32Å; Q177-K180 PolarHBondContact O-N 3.23Å; E178-K180 VanDerWaalsContact C-N 3.26Å; E178-K180 PolarHBondContact O-N 3.39Å; K180-K184 VanDerWaalsContact O-CG 3.26Å; K180-K184 WeakPolarHBondContact O-CG 2.94Å; K180-K184 PolarHBondContact O-N 3.19Å; K180-I242 HydrophobicContact CB-CG2 3.76Å; K180-I242 HydrophobicContact CG-CG2 4.35Å; K180-E245 IonicContact NZ-OE2 3.06Å; K180-E245 PolarHBondContact NZ-OE2 2.99Å; K180-A246 HydrophobicContact CG-CB 3.96Å; K180-E249 VanDerWaalsContact CE-CD 3.41Å; K180-E249 WeakPolarHBondContact CE-OE1 3.15Å; K180-E249 VanDerWaalsContact CE-OE2 3.25Å; K180-E249 WeakPolarHBondContact CE-OE2 3Å; K180-E249 IonicContact NZ-OE1 3.92Å; K180-E249 PolarHBondContact NZ-OE1 3.41Å; K180-E249 IonicContact NZ-OE2 3.51Å
181N93Very high91.9Very high80 Ų8051.8 Ų51.843%0.42826%0.258SS..Hα-helixtrans-68.7-45.2-178.8-69.9-20.1000112.1Q177 E178 I179 F183 K184 A185Q177-N181 VanDerWaalsContact O-CG 3.23Å; Q177-N181 PolarHBondContact O-N 2.58Å; Q177-N181 PolarHBondContact O-ND2 3.07Å; E178-N181 PolarHBondContact O-N 2.88Å; E178-N181 VanDerWaalsContact O-N 3.1Å; I179-N181 PolarHBondContact O-N 2.76Å; N181-F183 VanDerWaalsContact C-N 3.34Å; N181-F183 PolarHBondContact O-N 3.21Å; N181-K184 WeakPolarHBondContact O-CB 3.41Å; N181-K184 PolarHBondContact O-N 3.23Å; N181-A185 PolarHBondContact O-N 3.41Å
182R92.2Very high91.5Very high43 Ų4349.5 Ų49.516%0.16225%0.249CC..Hα-helixtrans-61.7-42.3176.1-68.7-166.5-173.1-1642.7112.3I155 E156 E178 K184 A185 F186 E225 L228I155-R182 PolarHBondContact O-NH2 3.32Å; E156-R182 PolarHBondContact O-NH2 3.35Å; E178-R182 WeakPolarHBondContact O-CG 3.4Å; E178-R182 PolarHBondContact O-N 3.35Å; E178-R182 IonicContact OE1-CZ 3.64Å; E178-R182 IonicContact OE1-NE 3.1Å; E178-R182 PolarHBondContact OE1-NE 3.34Å; E178-R182 VanDerWaalsContact OE1-NE 3.08Å; E178-R182 IonicContact OE1-NH2 3.95Å; R182-K184 PolarHBondContact O-N 2.88Å; R182-A185 WeakPolarHBondContact O-CB 3.43Å; R182-A185 PolarHBondContact O-N 3.02Å; R182-F186 WeakPolarHBondContact O-CB 3.14Å; R182-F186 PolarHBondContact O-N 3.29Å; R182-E225 IonicContact NH1-OE2 2.93Å; R182-L228 HydrophobicContact CB-CD1 4.17Å
183F94.7Very high91.1Very high0 Ų054.3 Ų54.30%027%0.272CS..Hα-helixtrans-66.8-36177-174.6-101.2000112.8I179 N181 F186 L187 I216 L221 L228 F243 A246 V267I179-F183 WeakPolarHBondContact O-CB 3.35Å; I179-F183 PolarHBondContact O-N 3.4Å; N181-F183 VanDerWaalsContact C-N 3.34Å; N181-F183 PolarHBondContact O-N 3.21Å; F183-F186 HydrophobicContact CD2-CD1 4.14Å; F183-F186 HydrophobicContact CE2-CD1 4.21Å; F183-F186 HydrophobicContact CE2-CE1 4.48Å; F183-F186 WeakPolarHBondContact O-CB 3.21Å; F183-F186 PolarHBondContact O-N 3.39Å; F183-L187 HydrophobicContact CD1-CD1 4.01Å; F183-L187 HydrophobicContact CD1-CG 4.37Å; F183-L187 HydrophobicContact CE1-CD1 3.65Å; F183-L187 HydrophobicContact CE1-CG 4.14Å; F183-L187 HydrophobicContact CZ-CD1 4.3Å; F183-L187 HydrophobicContact CZ-CD2 4.46Å; F183-L187 HydrophobicContact CZ-CG 4.43Å; F183-L187 WeakPolarHBondContact O-CG 3.26Å; F183-L187 PolarHBondContact O-N 2.91Å; F183-I216 HydrophobicContact CE1-CD1 4.38Å; F183-I216 HydrophobicContact CE2-CD1 3.68Å; F183-I216 HydrophobicContact CZ-CD1 3.27Å; F183-L221 HydrophobicContact CD2-CD1 4.43Å; F183-L228 HydrophobicContact CB-CD1 4.16Å; F183-F243 HydrophobicContact CB-CD1 4.05Å; F183-F243 HydrophobicContact CB-CE1 3.93Å; F183-F243 HydrophobicContact CD1-CB 4.38Å; F183-F243 AromaticContact CD1-CD1 3.93Å; F183-F243 HydrophobicContact CD1-CD1 3.93Å; F183-F243 HydrophobicContact CD1-CG 4.25Å; F183-F243 AromaticContact CD2-CD1 3.62Å; F183-F243 HydrophobicContact CD2-CD1 3.62Å; F183-F243 HydrophobicContact CD2-CD2 4.18Å; F183-F243 AromaticContact CD2-CE1 3.46Å; F183-F243 HydrophobicContact CD2-CE1 3.46Å; F183-F243 VanDerWaalsContact CD2-CE1 3.46Å; F183-F243 HydrophobicContact CD2-CE2 4.04Å; F183-F243 AromaticContact CD2-CG 3.98Å; F183-F243 HydrophobicContact CD2-CG 3.98Å; F183-F243 AromaticContact CD2-CZ 3.68Å; F183-F243 HydrophobicContact CD2-CZ 3.68Å; F183-F243 HydrophobicContact CE1-CB 3.85Å; F183-F243 HydrophobicContact CE1-CD1 4.16Å; F183-F243 AromaticContact CE1-CG 3.99Å; F183-F243 HydrophobicContact CE1-CG 3.99Å; F183-F243 HydrophobicContact CE2-CB 4.38Å; F183-F243 AromaticContact CE2-CD1 3.9Å; F183-F243 HydrophobicContact CE2-CD1 3.9Å; F183-F243 AromaticContact CE2-CD2 3.68Å; F183-F243 HydrophobicContact CE2-CD2 3.68Å; F183-F243 AromaticContact CE2-CE1 4Å; F183-F243 HydrophobicContact CE2-CE1 4Å; F183-F243 AromaticContact CE2-CE2 3.79Å; F183-F243 HydrophobicContact CE2-CE2 3.79Å; F183-F243 AromaticContact CE2-CG 3.74Å; F183-F243 HydrophobicContact CE2-CG 3.74Å; F183-F243 AromaticContact CE2-CZ 3.94Å; F183-F243 HydrophobicContact CE2-CZ 3.94Å; F183-F243 AromaticContact CG-CD1 3.59Å; F183-F243 HydrophobicContact CG-CD1 3.59Å; F183-F243 AromaticContact CG-CE1 3.72Å; F183-F243 HydrophobicContact CG-CE1 3.72Å; F183-F243 HydrophobicContact CG-CG 4.19Å; F183-F243 HydrophobicContact CG-CZ 4.4Å; F183-F243 HydrophobicContact CZ-CB 3.82Å; F183-F243 HydrophobicContact CZ-CD1 4.11Å; F183-F243 AromaticContact CZ-CD2 3.9Å; F183-F243 HydrophobicContact CZ-CD2 3.9Å; F183-F243 HydrophobicContact CZ-CE2 4.47Å; F183-F243 AromaticContact CZ-CG 3.7Å; F183-F243 HydrophobicContact CZ-CG 3.7Å; F183-A246 HydrophobicContact CD1-CB 3.51Å; F183-A246 HydrophobicContact CE1-CB 4.13Å; F183-V267 HydrophobicContact CZ-CG1 4.32Å; F183-V267 HydrophobicContact CZ-CG2 4.34Å
184K94.2Very high90.6Very high37 Ų3755 Ų5516%0.16127%0.272CS..Hα-helixtrans-63.5-41.8170.6-72.3171.8-178.6171.40112.2K180 N181 R182 L187 R188 A246 E249 V250K180-K184 VanDerWaalsContact O-CG 3.26Å; K180-K184 WeakPolarHBondContact O-CG 2.94Å; K180-K184 PolarHBondContact O-N 3.19Å; N181-K184 WeakPolarHBondContact O-CB 3.41Å; N181-K184 PolarHBondContact O-N 3.23Å; R182-K184 PolarHBondContact O-N 2.88Å; K184-L187 PolarHBondContact O-N 3.19Å; K184-R188 WeakPolarHBondContact O-CG 3.37Å; K184-R188 PolarHBondContact O-N 3.05Å; K184-A246 HydrophobicContact CG-CB 4.02Å; K184-E249 WeakPolarHBondContact CE-OE2 3.25Å; K184-E249 IonicContact NZ-OE2 2.63Å; K184-E249 PolarHBondContact NZ-OE2 2.84Å; K184-V250 HydrophobicContact CB-CG2 4.11Å; K184-V250 HydrophobicContact CG-CG2 3.85Å
185A92.5Very high90.2Very high43 Ų4359.4 Ų59.436%0.35529%0.294SS..Hα-helixtrans-60-50.7175.900000109.5N181 R182 L187 R188 T189N181-A185 PolarHBondContact O-N 3.41Å; R182-A185 WeakPolarHBondContact O-CB 3.43Å; R182-A185 PolarHBondContact O-N 3.02Å; A185-L187 VanDerWaalsContact C-N 3.35Å; A185-L187 PolarHBondContact O-N 3.24Å; A185-R188 CarbonylContact O-C 3.57Å; A185-R188 WeakPolarHBondContact O-CA 3.46Å; A185-R188 WeakPolarHBondContact O-CB 3.36Å; A185-R188 PolarHBondContact O-N 3.46Å; A185-T189 WeakPolarHBondContact O-CG2 3.4Å; A185-T189 PolarHBondContact O-N 2.91Å; A185-T189 PolarHBondContact O-OG1 3.49Å
186F93.8Very high89.8Confident3 Ų363.9 Ų63.91%0.01331%0.311CS..Hα-helixtrans-50.1-49.2174.3168.5-106.8000113R182 F183 R188 T189 F190 Y199 I216 H220 L221 A224R182-F186 WeakPolarHBondContact O-CB 3.14Å; R182-F186 PolarHBondContact O-N 3.29Å; F183-F186 HydrophobicContact CD2-CD1 4.14Å; F183-F186 HydrophobicContact CE2-CD1 4.21Å; F183-F186 HydrophobicContact CE2-CE1 4.48Å; F183-F186 WeakPolarHBondContact O-CB 3.21Å; F183-F186 PolarHBondContact O-N 3.39Å; F186-R188 PolarHBondContact O-N 3.46Å; F186-T189 PolarHBondContact O-N 3.04Å; F186-F190 HydrophobicContact CD2-CB 4.04Å; F186-F190 HydrophobicContact CD2-CD2 4.16Å; F186-F190 HydrophobicContact CD2-CG 4.37Å; F186-F190 HydrophobicContact CE2-CB 3.99Å; F186-F190 AromaticContact CE2-CD2 3.57Å; F186-F190 HydrophobicContact CE2-CD2 3.57Å; F186-F190 HydrophobicContact CE2-CE2 4.28Å; F186-F190 AromaticContact CE2-CG 3.86Å; F186-F190 HydrophobicContact CE2-CG 3.86Å; F186-F190 HydrophobicContact CZ-CD2 4.46Å; F186-F190 HydrophobicContact CZ-CG 4.48Å; F186-F190 WeakPolarHBondContact O-CB 3.15Å; F186-F190 PolarHBondContact O-N 3.47Å; F186-Y199 HydrophobicContact CE1-CD2 4.18Å; F186-Y199 AromaticContact CE1-CE2 3.65Å; F186-Y199 HydrophobicContact CE1-CE2 3.65Å; F186-Y199 HydrophobicContact CE2-CE2 4.01Å; F186-Y199 HydrophobicContact CZ-CD2 4.16Å; F186-Y199 AromaticContact CZ-CE2 3.3Å; F186-Y199 HydrophobicContact CZ-CE2 3.3Å; F186-Y199 AromaticContact CZ-CZ 3.75Å; F186-I216 HydrophobicContact CE1-CG2 4.14Å; F186-H220 HydrophobicContact CE2-CB 4.46Å; F186-H220 HydrophobicContact CZ-CB 4.16Å; F186-L221 HydrophobicContact CD1-CD1 4.2Å; F186-L221 HydrophobicContact CE1-CD1 4.12Å; F186-L221 HydrophobicContact CG-CD1 4.44Å; F186-L221 HydrophobicContact CZ-CB 4.27Å; F186-L221 HydrophobicContact CZ-CD1 4.28Å; F186-A224 HydrophobicContact CD2-CB 3.56Å; F186-A224 HydrophobicContact CE2-CB 3.79Å
187L92.9Very high89.5Confident1 Ų161.7 Ų61.71%0.00530%0.304CS..Hα-helixtrans-63.4-23177.9-70.3178.2000113.8F183 K184 A185 Y199 L214 I216 A247 V250F183-L187 HydrophobicContact CD1-CD1 4.01Å; F183-L187 HydrophobicContact CD1-CG 4.37Å; F183-L187 HydrophobicContact CE1-CD1 3.65Å; F183-L187 HydrophobicContact CE1-CG 4.14Å; F183-L187 HydrophobicContact CZ-CD1 4.3Å; F183-L187 HydrophobicContact CZ-CD2 4.46Å; F183-L187 HydrophobicContact CZ-CG 4.43Å; F183-L187 WeakPolarHBondContact O-CG 3.26Å; F183-L187 PolarHBondContact O-N 2.91Å; K184-L187 PolarHBondContact O-N 3.19Å; A185-L187 VanDerWaalsContact C-N 3.35Å; A185-L187 PolarHBondContact O-N 3.24Å; L187-Y199 HydrophobicContact CD2-CD1 4.28Å; L187-Y199 HydrophobicContact CD2-CD2 4.46Å; L187-Y199 HydrophobicContact CD2-CG 3.98Å; L187-L214 HydrophobicContact CD1-CD2 4.45Å; L187-L214 HydrophobicContact CD2-CD2 4.2Å; L187-I216 HydrophobicContact CD2-CD1 4.07Å; L187-A247 HydrophobicContact CD1-CB 4.43Å; L187-V250 HydrophobicContact CD1-CB 4.39Å; L187-V250 HydrophobicContact CD1-CG2 4.14Å
188R90.2Very high89.3Confident131 Ų13157.9 Ų57.949%0.49429%0.288SS..Hα-helixtrans-95.6-33.7-179.3-69.7173.7179.5179.7-2113.2K184 A185 F186 N197K184-R188 WeakPolarHBondContact O-CG 3.37Å; K184-R188 PolarHBondContact O-N 3.05Å; A185-R188 CarbonylContact O-C 3.57Å; A185-R188 WeakPolarHBondContact O-CA 3.46Å; A185-R188 WeakPolarHBondContact O-CB 3.36Å; A185-R188 PolarHBondContact O-N 3.46Å; F186-R188 PolarHBondContact O-N 3.46Å; R188-N197 PolarHBondContact O-ND2 3.37Å
189T89.6Confident89.3Confident99 Ų9956.5 Ų56.561%0.60728%0.282SS*.Hα-helixtrans-103.8-18.4-170.2600000113.8A185 F186 L191A185-T189 WeakPolarHBondContact O-CG2 3.4Å; A185-T189 PolarHBondContact O-N 2.91Å; A185-T189 PolarHBondContact O-OG1 3.49Å; F186-T189 PolarHBondContact O-N 3.04Å; T189-L191 PolarHBondContact O-N 3.1Å
190F89.9Confident89.1Confident21 Ų2156.9 Ų56.99%0.09229%0.285CS..  trans-65.2121.3-176.8-176.5-93.3000111.5F186 N197 Y199 H220 A224F186-F190 HydrophobicContact CD2-CB 4.04Å; F186-F190 HydrophobicContact CD2-CD2 4.16Å; F186-F190 HydrophobicContact CD2-CG 4.37Å; F186-F190 HydrophobicContact CE2-CB 3.99Å; F186-F190 AromaticContact CE2-CD2 3.57Å; F186-F190 HydrophobicContact CE2-CD2 3.57Å; F186-F190 HydrophobicContact CE2-CE2 4.28Å; F186-F190 AromaticContact CE2-CG 3.86Å; F186-F190 HydrophobicContact CE2-CG 3.86Å; F186-F190 HydrophobicContact CZ-CD2 4.46Å; F186-F190 HydrophobicContact CZ-CG 4.48Å; F186-F190 WeakPolarHBondContact O-CB 3.15Å; F186-F190 PolarHBondContact O-N 3.47Å; F190-N197 PolarHBondContact O-OD1 2.8Å; F190-Y199 HydrophobicContact CB-CD2 3.95Å; F190-Y199 HydrophobicContact CB-CE2 4.12Å; F190-Y199 AromaticContact CD1-CD2 3.72Å; F190-Y199 HydrophobicContact CD1-CD2 3.72Å; F190-Y199 AromaticContact CD1-CE2 3.42Å; F190-Y199 HydrophobicContact CD1-CE2 3.42Å; F190-Y199 VanDerWaalsContact CD1-CE2 3.42Å; F190-Y199 AromaticContact CE1-CE2 4Å; F190-Y199 HydrophobicContact CE1-CE2 4Å; F190-Y199 HydrophobicContact CG-CD2 4.07Å; F190-Y199 AromaticContact CG-CE2 3.79Å; F190-Y199 HydrophobicContact CG-CE2 3.79Å; F190-H220 HydrophobicContact CD2-CB 4.47Å; F190-H220 HydrophobicContact CE1-CB 3.93Å; F190-H220 AromaticContact CE1-CE1 3.94Å; F190-H220 AromaticContact CE1-CG 3.64Å; F190-H220 AromaticContact CE1-ND1 3.36Å; F190-H220 WeakPolarHBondContact CE1-ND1 3.43Å; F190-H220 HydrophobicContact CE2-CB 3.74Å; F190-H220 HydrophobicContact CZ-CB 3.43Å; F190-H220 VanDerWaalsContact CZ-CB 3.43Å; F190-H220 AromaticContact CZ-CD2 3.83Å; F190-H220 AromaticContact CZ-CG 3.33Å; F190-H220 AromaticContact CZ-ND1 3.59Å; F190-A224 HydrophobicContact CD2-CB 4.18Å
191L88.6Confident88.8Confident89 Ų8961 Ų6147%0.46630%0.304SS..  trans-112.5138.2173.4-59.1178.6000108.6T189 N197T189-L191 PolarHBondContact O-N 3.1Å; L191-N197 HydrophobicContact CD2-CB 4.02Å
192D82.7Confident88.7Confident57 Ų5760.7 Ų60.731%0.30530%0.297SS..  trans-78.5177.2173.1-168.216.1000111.4N194 D195 R196 V198D192-N194 PolarHBondContact O-N 3.29Å; D192-D195 PolarHBondContact O-N 3.24Å; D192-R196 PolarHBondContact N-O 3.08Å; D192-V198 HydrophobicContact CB-CG2 3.52Å
193E82.5Confident88.7Confident185 Ų18558.7 Ų58.786%0.86429%0.29SS*.THydrogen-bonded Turntrans-53.9-22.3177.6-62.8-175.9170.500113.5
194N81.2Confident88.5Confident91 Ų9160.2 Ų60.249%0.48730%0.299SS..THydrogen-bonded Turntrans-9816.3178.4-67.8-38.7000114.1D192 R196D192-N194 PolarHBondContact O-N 3.29Å; N194-R196 PolarHBondContact O-N 3.02Å; N194-R196 VanDerWaalsContact O-N 3.08Å
195D80.2Confident88.3Confident132 Ų13263 Ų6371%0.70631%0.313SS*.SBendtrans56.921.5-177-64.2-42.9000114.6D192D192-D195 PolarHBondContact O-N 3.24Å
196R83.8Confident88.2Confident95 Ų9561.2 Ų61.236%0.35830%0.297SS..  trans-96.9138.4175.5-62.8-171.8-167.1142.716.7110.4D192 N194 V198 E444D192-R196 PolarHBondContact N-O 3.08Å; N194-R196 PolarHBondContact O-N 3.02Å; N194-R196 VanDerWaalsContact O-N 3.08Å; R196-V198 PolarHBondContact O-N 2.84Å; R196-E444 IonicContact CZ-OE1 3.97Å; R196-E444 IonicContact NH1-OE1 3.64Å; R196-E444 PolarHBondContact NH1-OE1 2.9Å; R196-E444 IonicContact NH2-OE1 3.1Å; R196-E444 PolarHBondContact NH2-OE1 3.01Å
197N85.2Confident88.1Confident30 Ų3061.8 Ų61.816%0.1630%0.303CS..  trans-80.292.5174.3-170.3-28.6000110.2R188 F190 L191 Y199 A200 E201R188-N197 PolarHBondContact O-ND2 3.37Å; F190-N197 PolarHBondContact O-OD1 2.8Å; L191-N197 HydrophobicContact CD2-CB 4.02Å; N197-Y199 VanDerWaalsContact C-N 3.31Å; N197-Y199 PolarHBondContact O-N 3.2Å; N197-Y199 PolarHBondContact OD1-N 2.91Å; N197-A200 HydrophobicContact CB-CB 3.76Å; N197-A200 WeakPolarHBondContact O-CB 3.47Å; N197-A200 PolarHBondContact O-N 2.78Å; N197-A200 WeakPolarHBondContact OD1-CB 3.15Å; N197-A200 PolarHBondContact OD1-N 3.24Å; N197-E201 PolarHBondContact O-N 3.43Å
198V88.2Confident88Confident20 Ų2071.3 Ų71.312%0.12134%0.339CS..Hα-helixtrans-60.7-38.7-175.8171.70000112.1D192 R196 E201 R202D192-V198 HydrophobicContact CB-CG2 3.52Å; R196-V198 PolarHBondContact O-N 2.84Å; V198-E201 PolarHBondContact O-N 3.43Å; V198-R202 HydrophobicContact CG1-CG 4.35Å; V198-R202 VanDerWaalsContact CG1-NE 3.32Å; V198-R202 WeakPolarHBondContact O-CB 2.98Å; V198-R202 VanDerWaalsContact O-CG 3.27Å; V198-R202 WeakPolarHBondContact O-CG 2.97Å; V198-R202 PolarHBondContact O-N 3.21Å
199Y91.3Very high88Confident0 Ų069.3 Ų69.30%034%0.335CS..Hα-helixtrans-75.6-34.5-177.8-65.1-60.3000112.5F186 L187 F190 N197 E201 R202 I203 I216 D217 H220F186-Y199 HydrophobicContact CE1-CD2 4.18Å; F186-Y199 AromaticContact CE1-CE2 3.65Å; F186-Y199 HydrophobicContact CE1-CE2 3.65Å; F186-Y199 HydrophobicContact CE2-CE2 4.01Å; F186-Y199 HydrophobicContact CZ-CD2 4.16Å; F186-Y199 AromaticContact CZ-CE2 3.3Å; F186-Y199 HydrophobicContact CZ-CE2 3.3Å; F186-Y199 AromaticContact CZ-CZ 3.75Å; L187-Y199 HydrophobicContact CD2-CD1 4.28Å; L187-Y199 HydrophobicContact CD2-CD2 4.46Å; L187-Y199 HydrophobicContact CD2-CG 3.98Å; F190-Y199 HydrophobicContact CB-CD2 3.95Å; F190-Y199 HydrophobicContact CB-CE2 4.12Å; F190-Y199 AromaticContact CD1-CD2 3.72Å; F190-Y199 HydrophobicContact CD1-CD2 3.72Å; F190-Y199 AromaticContact CD1-CE2 3.42Å; F190-Y199 HydrophobicContact CD1-CE2 3.42Å; F190-Y199 VanDerWaalsContact CD1-CE2 3.42Å; F190-Y199 AromaticContact CE1-CE2 4Å; F190-Y199 HydrophobicContact CE1-CE2 4Å; F190-Y199 HydrophobicContact CG-CD2 4.07Å; F190-Y199 AromaticContact CG-CE2 3.79Å; F190-Y199 HydrophobicContact CG-CE2 3.79Å; N197-Y199 VanDerWaalsContact C-N 3.31Å; N197-Y199 PolarHBondContact O-N 3.2Å; N197-Y199 PolarHBondContact OD1-N 2.91Å; Y199-E201 VanDerWaalsContact C-N 3.32Å; Y199-E201 PolarHBondContact O-N 3.37Å; Y199-R202 PolarHBondContact O-N 2.9Å; Y199-I203 WeakPolarHBondContact O-CB 3.39Å; Y199-I203 WeakPolarHBondContact O-CG1 3.4Å; Y199-I203 PolarHBondContact O-N 3.08Å; Y199-I216 HydrophobicContact CD1-CG1 4.47Å; Y199-I216 HydrophobicContact CE1-CB 4.28Å; Y199-I216 HydrophobicContact CE1-CG1 4.04Å; Y199-I216 HydrophobicContact CE1-CG2 4.17Å; Y199-D217 PolarHBondContact OH-N 3.24Å; Y199-H220 HydrophobicContact CE2-CB 4.31Å; Y199-H220 AromaticContact CZ-ND1 3.78Å; Y199-H220 WeakPolarHBondContact OH-CB 3.49Å; Y199-H220 PolarHBondContact OH-ND1 3.3Å; Y199-H220 VanDerWaalsContact OH-ND1 3.11Å
200A89.9Confident88.1Confident9 Ų969 Ų697%0.07433%0.33CS..Hα-helixtrans-55.9-47.5169.900000111.8N197 V204 R254N197-A200 HydrophobicContact CB-CB 3.76Å; N197-A200 WeakPolarHBondContact O-CB 3.47Å; N197-A200 PolarHBondContact O-N 2.78Å; N197-A200 WeakPolarHBondContact OD1-CB 3.15Å; N197-A200 PolarHBondContact OD1-N 3.24Å; A200-V204 VanDerWaalsContact O-CG2 3.31Å; A200-V204 WeakPolarHBondContact O-CG2 3.46Å; A200-V204 PolarHBondContact O-N 3.21Å; A200-R254 PolarHBondContact O-NH1 3.43Å
201E88.7Confident88.1Confident114 Ų11473 Ų7353%0.53335%0.346SS..Hα-helixtrans-68.3-43.3178.1-69.3-178.8177.600112N197 V198 Y199 I203 V204 Q205N197-E201 PolarHBondContact O-N 3.43Å; V198-E201 PolarHBondContact O-N 3.43Å; Y199-E201 VanDerWaalsContact C-N 3.32Å; Y199-E201 PolarHBondContact O-N 3.37Å; E201-I203 VanDerWaalsContact C-N 3.34Å; E201-I203 PolarHBondContact O-N 3.15Å; E201-V204 CarbonylContact O-C 3.4Å; E201-V204 WeakPolarHBondContact O-CB 3.26Å; E201-V204 PolarHBondContact O-N 3.21Å; E201-V204 VanDerWaalsContact O-N 3.1Å; E201-Q205 PolarHBondContact O-N 3.4Å
202R90.1Very high88.2Confident74 Ų7470.8 Ų70.828%0.27933%0.334SS..Hα-helixtrans-60.7-39.7176.3-74.8179.1-172.9-178.78.2112.7V198 Y199 V204 Q205 M206 L214 H215V198-R202 HydrophobicContact CG1-CG 4.35Å; V198-R202 VanDerWaalsContact CG1-NE 3.32Å; V198-R202 WeakPolarHBondContact O-CB 2.98Å; V198-R202 VanDerWaalsContact O-CG 3.27Å; V198-R202 WeakPolarHBondContact O-CG 2.97Å; V198-R202 PolarHBondContact O-N 3.21Å; Y199-R202 PolarHBondContact O-N 2.9Å; R202-V204 VanDerWaalsContact C-N 3.31Å; R202-V204 PolarHBondContact O-N 3.04Å; R202-Q205 PolarHBondContact O-N 3.39Å; R202-M206 VanDerWaalsContact O-CB 3.26Å; R202-M206 WeakPolarHBondContact O-CB 3.35Å; R202-M206 PolarHBondContact O-N 3Å; R202-L214 HydrophobicContact CB-CD1 4.24Å; R202-H215 PolarHBondContact NH1-O 2.99Å
203I92.1Very high88.7Confident1 Ų168.9 Ų68.91%0.00533%0.325CS..Hα-helixtrans-63.9-39.8175-69.9166.6000110.5Y199 E201 A207 L214 V250 T251Y199-I203 WeakPolarHBondContact O-CB 3.39Å; Y199-I203 WeakPolarHBondContact O-CG1 3.4Å; Y199-I203 PolarHBondContact O-N 3.08Å; E201-I203 VanDerWaalsContact C-N 3.34Å; E201-I203 PolarHBondContact O-N 3.15Å; I203-A207 WeakPolarHBondContact O-CB 3.5Å; I203-A207 PolarHBondContact O-N 2.97Å; I203-L214 HydrophobicContact CG1-CD1 3.82Å; I203-L214 HydrophobicContact CG1-CD2 4.25Å; I203-V250 HydrophobicContact CD1-CG1 3.89Å; I203-T251 HydrophobicContact CG2-CG2 4.18Å
204V91.5Very high89.2Confident33 Ų3360.2 Ų60.220%0.229%0.285CS..Hα-helixtrans-65.3-43.6175.51730000110.9A200 E201 R202 A207 R208 F255A200-V204 VanDerWaalsContact O-CG2 3.31Å; A200-V204 WeakPolarHBondContact O-CG2 3.46Å; A200-V204 PolarHBondContact O-N 3.21Å; E201-V204 CarbonylContact O-C 3.4Å; E201-V204 WeakPolarHBondContact O-CB 3.26Å; E201-V204 PolarHBondContact O-N 3.21Å; E201-V204 VanDerWaalsContact O-N 3.1Å; R202-V204 VanDerWaalsContact C-N 3.31Å; R202-V204 PolarHBondContact O-N 3.04Å; V204-A207 PolarHBondContact O-N 3.35Å; V204-R208 HydrophobicContact CG1-CG 4.44Å; V204-R208 WeakPolarHBondContact O-CB 3.32Å; V204-R208 VanDerWaalsContact O-CG 3.31Å; V204-R208 WeakPolarHBondContact O-CG 3.25Å; V204-R208 PolarHBondContact O-N 2.83Å; V204-F255 HydrophobicContact CG2-CE2 4.17Å; V204-F255 HydrophobicContact CG2-CZ 4.15Å
205Q89.9Confident89.8Confident95 Ų9559.6 Ų59.644%0.44428%0.279SS..Hα-helixtrans-62.5-46.3176.4-175178.15.200111.7E201 R202 A207 R208 E209E201-Q205 PolarHBondContact O-N 3.4Å; R202-Q205 PolarHBondContact O-N 3.39Å; Q205-A207 VanDerWaalsContact C-N 3.31Å; Q205-A207 PolarHBondContact O-N 2.7Å; Q205-R208 PolarHBondContact O-N 3Å; Q205-E209 PolarHBondContact NE2-OE1 2.7Å; Q205-E209 PolarHBondContact O-N 3.44Å
206M91.1Very high90.4Very high6 Ų653.3 Ų53.33%0.0325%0.245CC..Hα-helixtrans-54.7-47.7175179-172.680.100111R202 E209 N210 K211 L214 T251 V265R202-M206 VanDerWaalsContact O-CB 3.26Å; R202-M206 WeakPolarHBondContact O-CB 3.35Å; R202-M206 PolarHBondContact O-N 3Å; M206-E209 PolarHBondContact O-N 3.17Å; M206-N210 PolarHBondContact O-N 3.42Å; M206-N210 VanDerWaalsContact O-N 3.15Å; M206-K211 HydrophobicContact CG-CB 4.12Å; M206-K211 WeakPolarHBondContact CG-O 3.38Å; M206-K211 PolarHBondContact O-N 2.92Å; M206-L214 HydrophobicContact SD-CB 4.01Å; M206-T251 HydrophobicContact CE-CG2 3.86Å; M206-V265 HydrophobicContact CE-CG1 4.09Å; M206-V265 HydrophobicContact CE-CG2 4.45Å; M206-V265 HydrophobicContact SD-CG1 4.01Å
207A91Very high90.8Very high15 Ų1549.9 Ų49.912%0.12423%0.234CC..Hα-helixtrans-67.4-37.1178.900000113.1I203 V204 Q205 E209 N210 F255 Y258I203-A207 WeakPolarHBondContact O-CB 3.5Å; I203-A207 PolarHBondContact O-N 2.97Å; V204-A207 PolarHBondContact O-N 3.35Å; Q205-A207 VanDerWaalsContact C-N 3.31Å; Q205-A207 PolarHBondContact O-N 2.7Å; A207-E209 VanDerWaalsContact C-N 3.33Å; A207-N210 PolarHBondContact O-N 3.24Å; A207-F255 HydrophobicContact CB-CD2 3.97Å; A207-F255 HydrophobicContact CB-CE2 3.92Å; A207-F255 HydrophobicContact CB-CZ 4.49Å; A207-Y258 HydrophobicContact CB-CD2 4.26Å; A207-Y258 HydrophobicContact CB-CE2 4.22Å
208R91.4Very high91.2Very high201 Ų20150 Ų5076%0.75823%0.232SC*.Hα-helixtrans-64.2-37.5175.7-77175.7179.5171.71.7112.4V204 Q205 N210V204-R208 HydrophobicContact CG1-CG 4.44Å; V204-R208 WeakPolarHBondContact O-CB 3.32Å; V204-R208 VanDerWaalsContact O-CG 3.31Å; V204-R208 WeakPolarHBondContact O-CG 3.25Å; V204-R208 PolarHBondContact O-N 2.83Å; Q205-R208 PolarHBondContact O-N 3Å; R208-N210 VanDerWaalsContact C-N 3.34Å
209E90.2Very high91.4Very high89 Ų8954.8 Ų54.842%0.41625%0.253SS..THydrogen-bonded Turntrans-89.11.6-178.9-65.2177.1-164.400113.2Q205 M206 A207 K211Q205-E209 PolarHBondContact NE2-OE1 2.7Å; Q205-E209 PolarHBondContact O-N 3.44Å; M206-E209 PolarHBondContact O-N 3.17Å; A207-E209 VanDerWaalsContact C-N 3.33Å; E209-K211 HydrophobicContact CB-CD 4.12Å; E209-K211 HydrophobicContact CB-CG 4Å; E209-K211 PolarHBondContact O-N 3.4Å; E209-K211 WeakPolarHBondContact OE2-CD 3.27Å; E209-K211 WeakPolarHBondContact OE2-CE 3.45Å; E209-K211 IonicContact OE2-NZ 2.68Å; E209-K211 PolarHBondContact OE2-NZ 2.72Å
210N90.2Very high91.5Very high93 Ų9356.3 Ų56.350%0.49726%0.26SS..THydrogen-bonded Turntrans5332-173.9-57.3-49.7000113.3M206 A207 R208 I261M206-N210 PolarHBondContact O-N 3.42Å; M206-N210 VanDerWaalsContact O-N 3.15Å; A207-N210 PolarHBondContact O-N 3.24Å; R208-N210 VanDerWaalsContact C-N 3.34Å; N210-I261 HydrophobicContact CB-CG2 4.09Å; N210-I261 WeakPolarHBondContact OD1-CD1 3.29Å
211K90.4Very high91.6Very high103 Ų10355.9 Ų55.945%0.44826%0.257SS..  trans-85.8148.7176.1-73.1178.7174.1168.80109.8M206 E209 Y258M206-K211 HydrophobicContact CG-CB 4.12Å; M206-K211 WeakPolarHBondContact CG-O 3.38Å; M206-K211 PolarHBondContact O-N 2.92Å; E209-K211 HydrophobicContact CB-CD 4.12Å; E209-K211 HydrophobicContact CB-CG 4Å; E209-K211 PolarHBondContact O-N 3.4Å; E209-K211 WeakPolarHBondContact OE2-CD 3.27Å; E209-K211 WeakPolarHBondContact OE2-CE 3.45Å; E209-K211 IonicContact OE2-NZ 2.68Å; E209-K211 PolarHBondContact OE2-NZ 2.72Å; K211-Y258 PolarHBondContact O-OH 2.81Å
212H91.1Very high91.8Very high44 Ų4452 Ų5220%0.20425%0.245CC..  trans-110.917.9176.259.6-85.5000113.1T262 R264 V265 H266 D386H212-T262 HydrophobicContact CB-CG2 4.11Å; H212-R264 WeakPolarHBondContact CB-O 3.41Å; H212-V265 CarbonylContact O-C 3.35Å; H212-V265 WeakPolarHBondContact O-CA 3.33Å; H212-H266 AromaticContact CD2-CD2 3.86Å; H212-H266 PolarHBondContact O-N 3.43Å; H212-D386 WeakPolarHBondContact NE2-CB 3.26Å; H212-D386 IonicContact NE2-OD1 2.58Å
213S92.7Very high91.9Very high17 Ų1752.5 Ų52.512%0.11926%0.259CS..EExtended strand (participates in β ladder)trans-108.8125.1174.219.20000111.9H266 D386S213-H266 WeakPolarHBondContact CA-O 3.37Å; S213-D386 WeakPolarHBondContact CB-OD2 3.16Å; S213-D386 PolarHBondContact OG-OD2 2.95Å
214L93.5Very high91.8Very high3 Ų354.8 Ų54.82%0.01628%0.278CS..EExtended strand (participates in β ladder)trans-106113.9172.5-178.963.3000109.7L187 R202 I203 M206 I216 A247 V265 H266 V267 R268L187-L214 HydrophobicContact CD1-CD2 4.45Å; L187-L214 HydrophobicContact CD2-CD2 4.2Å; R202-L214 HydrophobicContact CB-CD1 4.24Å; I203-L214 HydrophobicContact CG1-CD1 3.82Å; I203-L214 HydrophobicContact CG1-CD2 4.25Å; M206-L214 HydrophobicContact SD-CB 4.01Å; L214-I216 HydrophobicContact CD2-CD1 4.32Å; L214-I216 HydrophobicContact CG-CG1 4.27Å; L214-A247 HydrophobicContact CD2-CB 3.95Å; L214-V265 HydrophobicContact CB-CG1 4.35Å; L214-H266 PolarHBondContact N-O 3.39Å; L214-V267 WeakPolarHBondContact O-CA 3.43Å; L214-R268 PolarHBondContact O-N 3.49Å
215H93Very high91.7Very high77 Ų7755.3 Ų55.336%0.35628%0.278SS..EExtended strand (participates in β ladder)trans-83.3123.2177.9-67.8-81.1000112R202 R268 N270R202-H215 PolarHBondContact NH1-O 2.99Å; H215-R268 CarbonylContact C-O 3.6Å; H215-R268 WeakPolarHBondContact CA-O 3.4Å; H215-N270 PolarHBondContact ND1-OD1 3.27Å
216I93Very high91.8Very high0 Ų057.8 Ų57.80%029%0.29CS..EExtended strand (participates in β ladder)trans-120.8130.8179.5-59.9-172.7000109.8F183 F186 L187 Y199 L214 V267 R268 I269 N270F183-I216 HydrophobicContact CE1-CD1 4.38Å; F183-I216 HydrophobicContact CE2-CD1 3.68Å; F183-I216 HydrophobicContact CZ-CD1 3.27Å; F186-I216 HydrophobicContact CE1-CG2 4.14Å; L187-I216 HydrophobicContact CD2-CD1 4.07Å; Y199-I216 HydrophobicContact CD1-CG1 4.47Å; Y199-I216 HydrophobicContact CE1-CB 4.28Å; Y199-I216 HydrophobicContact CE1-CG1 4.04Å; Y199-I216 HydrophobicContact CE1-CG2 4.17Å; L214-I216 HydrophobicContact CD2-CD1 4.32Å; L214-I216 HydrophobicContact CG-CG1 4.27Å; I216-V267 HydrophobicContact CB-CG1 4.34Å; I216-V267 HydrophobicContact CD1-CG1 3.45Å; I216-V267 VanDerWaalsContact CD1-CG1 3.45Å; I216-V267 HydrophobicContact CG1-CG1 3.91Å; I216-R268 PolarHBondContact N-O 3.44Å; I216-I269 HydrophobicContact CB-CD1 4.34Å; I216-N270 PolarHBondContact O-N 3.36Å
217D92.4Very high91.9Very high23 Ų2358.2 Ų58.212%0.12329%0.293CS..EExtended strand (participates in β ladder)trans-82.2128.4173.9-167.1-27.9000109.6Y199 Q219 H220 L221Y199-D217 PolarHBondContact OH-N 3.24Å; D217-Q219 PolarHBondContact O-N 3.17Å; D217-Q219 PolarHBondContact OD1-N 3.15Å; D217-H220 HydrophobicContact CB-CB 4.3Å; D217-H220 PolarHBondContact O-N 3.13Å; D217-H220 IonicContact OD2-NE2 2.8Å; D217-L221 PolarHBondContact O-N 2.98Å
218Y93.9Very high91.9Very high32 Ų3257.5 Ų57.513%0.12529%0.287CS..Hα-helixtrans-61.2-33.7176.2-176.6-88.3000112.4H220 L221 A222 A229 L232 P233 I269 N270 L272 P273Y218-H220 VanDerWaalsContact C-N 3.34Å; Y218-H220 PolarHBondContact O-N 3.29Å; Y218-L221 PolarHBondContact O-N 3.32Å; Y218-A222 HydrophobicContact CE1-CB 4.25Å; Y218-A222 WeakPolarHBondContact O-CB 3.47Å; Y218-A222 PolarHBondContact O-N 3.28Å; Y218-A229 HydrophobicContact CE2-CB 4.17Å; Y218-A229 PolarHBondContact OH-O 3.11Å; Y218-L232 HydrophobicContact CD2-CD2 3.91Å; Y218-L232 HydrophobicContact CE2-CD2 4.11Å; Y218-P233 HydrophobicContact CE2-CG 4.22Å; Y218-I269 HydrophobicContact CD2-CG2 4.49Å; Y218-N270 WeakPolarHBondContact CB-O 3.29Å; Y218-N270 PolarHBondContact N-O 3.41Å; Y218-L272 HydrophobicContact CD1-CD1 4.44Å; Y218-L272 HydrophobicContact CD2-CD1 3.66Å; Y218-L272 HydrophobicContact CE1-CD1 4.48Å; Y218-L272 HydrophobicContact CE2-CD1 3.7Å; Y218-L272 HydrophobicContact CG-CD1 4.03Å; Y218-P273 HydrophobicContact CD1-CG 4.08Å; Y218-P273 VanDerWaalsContact CE1-CD 3.48Å; Y218-P273 HydrophobicContact CE1-CG 3.83Å
219Q92.1Very high92Very high121 Ų12148.1 Ų48.157%0.56525%0.252SS*.Hα-helixtrans-65.3-40.1-179.8-60.9-17521.400111.5D217 A222 S223D217-Q219 PolarHBondContact O-N 3.17Å; D217-Q219 PolarHBondContact OD1-N 3.15Å; Q219-A222 PolarHBondContact O-N 2.93Å; Q219-S223 PolarHBondContact O-N 2.82Å
220H92.6Very high92.1Very high33 Ų3350.7 Ų50.715%0.15326%0.259CS..Hα-helixtrans-63.2-44.6175.4-64.4-174.1000110.6F186 F190 Y199 D217 Y218 A222 S223 A224F186-H220 HydrophobicContact CE2-CB 4.46Å; F186-H220 HydrophobicContact CZ-CB 4.16Å; F190-H220 HydrophobicContact CD2-CB 4.47Å; F190-H220 HydrophobicContact CE1-CB 3.93Å; F190-H220 AromaticContact CE1-CE1 3.94Å; F190-H220 AromaticContact CE1-CG 3.64Å; F190-H220 AromaticContact CE1-ND1 3.36Å; F190-H220 WeakPolarHBondContact CE1-ND1 3.43Å; F190-H220 HydrophobicContact CE2-CB 3.74Å; F190-H220 HydrophobicContact CZ-CB 3.43Å; F190-H220 VanDerWaalsContact CZ-CB 3.43Å; F190-H220 AromaticContact CZ-CD2 3.83Å; F190-H220 AromaticContact CZ-CG 3.33Å; F190-H220 AromaticContact CZ-ND1 3.59Å; Y199-H220 HydrophobicContact CE2-CB 4.31Å; Y199-H220 AromaticContact CZ-ND1 3.78Å; Y199-H220 WeakPolarHBondContact OH-CB 3.49Å; Y199-H220 PolarHBondContact OH-ND1 3.3Å; Y199-H220 VanDerWaalsContact OH-ND1 3.11Å; D217-H220 HydrophobicContact CB-CB 4.3Å; D217-H220 PolarHBondContact O-N 3.13Å; D217-H220 IonicContact OD2-NE2 2.8Å; Y218-H220 VanDerWaalsContact C-N 3.34Å; Y218-H220 PolarHBondContact O-N 3.29Å; H220-A222 VanDerWaalsContact C-N 3.34Å; H220-A222 PolarHBondContact O-N 2.97Å; H220-S223 PolarHBondContact O-N 2.82Å; H220-S223 PolarHBondContact O-OG 3.44Å; H220-A224 PolarHBondContact O-N 3Å; H220-A224 VanDerWaalsContact O-N 3.17Å
221L92.6Very high92.2Very high0 Ų046.4 Ų46.40%024%0.236CC..Hα-helixtrans-61.4-43.3176.2-175.266.4000111.4F183 F186 D217 Y218 S223 A224 E225 L228 A229 L232 F243F183-L221 HydrophobicContact CD2-CD1 4.43Å; F186-L221 HydrophobicContact CD1-CD1 4.2Å; F186-L221 HydrophobicContact CE1-CD1 4.12Å; F186-L221 HydrophobicContact CG-CD1 4.44Å; F186-L221 HydrophobicContact CZ-CB 4.27Å; F186-L221 HydrophobicContact CZ-CD1 4.28Å; D217-L221 PolarHBondContact O-N 2.98Å; Y218-L221 PolarHBondContact O-N 3.32Å; L221-S223 VanDerWaalsContact C-N 3.32Å; L221-S223 PolarHBondContact O-N 3.09Å; L221-A224 PolarHBondContact O-N 3.41Å; L221-E225 HydrophobicContact CD1-CB 4.47Å; L221-E225 CarbonylContact O-C 3.6Å; L221-E225 VanDerWaalsContact O-C 3.29Å; L221-E225 WeakPolarHBondContact O-CA 3.42Å; L221-E225 PolarHBondContact O-N 3.1Å; L221-L228 HydrophobicContact CD1-CB 4.07Å; L221-L228 HydrophobicContact CD1-CD1 4.24Å; L221-L228 HydrophobicContact CD2-CB 4.45Å; L221-L228 HydrophobicContact CG-CB 4.39Å; L221-A229 HydrophobicContact CG-CB 4.42Å; L221-L232 HydrophobicContact CD2-CD2 4.03Å; L221-F243 HydrophobicContact CD2-CE2 4.15Å; L221-F243 HydrophobicContact CD2-CZ 4.28Å
222A93.1Very high92.4Very high33 Ų3341.5 Ų41.527%0.27322%0.215SC..Hα-helixtrans-65.4-33.8178.300000113Y218 Q219 H220 Q226 A229Y218-A222 HydrophobicContact CE1-CB 4.25Å; Y218-A222 WeakPolarHBondContact O-CB 3.47Å; Y218-A222 PolarHBondContact O-N 3.28Å; Q219-A222 PolarHBondContact O-N 2.93Å; H220-A222 VanDerWaalsContact C-N 3.34Å; H220-A222 PolarHBondContact O-N 2.97Å; A222-Q226 WeakPolarHBondContact O-CG 3.46Å; A222-A229 HydrophobicContact CB-CB 3.93Å
223S91.8Very high92.5Very high83 Ų8341 Ų4158%0.5822%0.215SC*.Hα-helixtrans-71-39.8178.369.90000113Q219 H220 L221Q219-S223 PolarHBondContact O-N 2.82Å; H220-S223 PolarHBondContact O-N 2.82Å; H220-S223 PolarHBondContact O-OG 3.44Å; L221-S223 VanDerWaalsContact C-N 3.32Å; L221-S223 PolarHBondContact O-N 3.09Å
224A90.3Very high92.5Very high49 Ų4944.1 Ų44.141%0.40523%0.228SC..Hα-helixtrans-87.2-46.9-17700000112.6F186 F190 H220 L221F186-A224 HydrophobicContact CD2-CB 3.56Å; F186-A224 HydrophobicContact CE2-CB 3.79Å; F190-A224 HydrophobicContact CD2-CB 4.18Å; H220-A224 PolarHBondContact O-N 3Å; H220-A224 VanDerWaalsContact O-N 3.17Å; L221-A224 PolarHBondContact O-N 3.41Å
225E90.1Very high92.5Very high45 Ų4544.2 Ų44.221%0.2123%0.23CC..  trans-135.680.8-171.4-74-72179.900110.2R182 L221 V227 L228 A229R182-E225 IonicContact NH1-OE2 2.93Å; L221-E225 HydrophobicContact CD1-CB 4.47Å; L221-E225 CarbonylContact O-C 3.6Å; L221-E225 VanDerWaalsContact O-C 3.29Å; L221-E225 WeakPolarHBondContact O-CA 3.42Å; L221-E225 PolarHBondContact O-N 3.1Å; E225-V227 PolarHBondContact O-N 3.49Å; E225-L228 HydrophobicContact CB-CB 4.15Å; E225-L228 HydrophobicContact CB-CD1 3.96Å; E225-L228 HydrophobicContact CB-CG 4.01Å; E225-L228 HydrophobicContact CG-CD1 4.25Å; E225-L228 PolarHBondContact O-N 3.26Å; E225-A229 PolarHBondContact O-N 3.16Å; E225-A229 VanDerWaalsContact O-N 3.16Å
226Q91.5Very high92.6Very high146 Ų14640.6 Ų40.668%0.68221%0.213SC*.Hα-helixtrans-56.4-34.9-178.9-66.3175.417.500112.7A222 A229 Y230A222-Q226 WeakPolarHBondContact O-CG 3.46Å; Q226-A229 PolarHBondContact O-N 3.26Å; Q226-Y230 PolarHBondContact O-N 3.22Å
227V92.1Very high92.5Very high15 Ų1545.7 Ų45.79%0.09124%0.236CC..Hα-helixtrans-65.2-43.6-179.4-1770000111.5L158 E159 E225 A229 Y230 F231L158-V227 HydrophobicContact CB-CG1 3.84Å; E159-V227 HydrophobicContact CG-CG1 4.46Å; E159-V227 HydrophobicContact CG-CG2 3.65Å; E225-V227 PolarHBondContact O-N 3.49Å; V227-A229 VanDerWaalsContact C-N 3.34Å; V227-Y230 PolarHBondContact O-N 2.84Å; V227-F231 HydrophobicContact CG1-CD2 4Å; V227-F231 HydrophobicContact CG1-CE2 3.37Å; V227-F231 HydrophobicContact CG1-CZ 3.77Å; V227-F231 WeakPolarHBondContact O-CD2 3.49Å; V227-F231 WeakPolarHBondContact O-CG 3.33Å; V227-F231 PolarHBondContact O-N 2.89Å; V227-F231 VanDerWaalsContact O-N 3.11Å
228L92.4Very high92.6Very high1 Ų146.6 Ų46.61%0.00524%0.24CC..Hα-helixtrans-67-38.7176.6-64.2-173.5000111.4I179 R182 F183 L221 E225 Y230 F231 L232 F243I179-L228 HydrophobicContact CB-CD2 4.25Å; I179-L228 HydrophobicContact CG1-CD2 4.05Å; I179-L228 HydrophobicContact CG2-CD2 3.81Å; R182-L228 HydrophobicContact CB-CD1 4.17Å; F183-L228 HydrophobicContact CB-CD1 4.16Å; L221-L228 HydrophobicContact CD1-CB 4.07Å; L221-L228 HydrophobicContact CD1-CD1 4.24Å; L221-L228 HydrophobicContact CD2-CB 4.45Å; L221-L228 HydrophobicContact CG-CB 4.39Å; E225-L228 HydrophobicContact CB-CB 4.15Å; E225-L228 HydrophobicContact CB-CD1 3.96Å; E225-L228 HydrophobicContact CB-CG 4.01Å; E225-L228 HydrophobicContact CG-CD1 4.25Å; E225-L228 PolarHBondContact O-N 3.26Å; L228-Y230 VanDerWaalsContact C-N 3.27Å; L228-Y230 PolarHBondContact O-N 3.21Å; L228-F231 PolarHBondContact O-N 2.96Å; L228-L232 WeakPolarHBondContact O-CB 3.34Å; L228-L232 PolarHBondContact O-N 3.29Å; L228-F243 HydrophobicContact CB-CZ 4.4Å; L228-F243 HydrophobicContact CD1-CE1 4.41Å; L228-F243 HydrophobicContact CD1-CZ 4.49Å
229A93Very high92.6Very high4 Ų445.1 Ų45.13%0.03323%0.234CC..Hα-helixtrans-62.4-34.7174.600000111.9Y218 L221 A222 E225 Q226 V227 P233Y218-A229 HydrophobicContact CE2-CB 4.17Å; Y218-A229 PolarHBondContact OH-O 3.11Å; L221-A229 HydrophobicContact CG-CB 4.42Å; A222-A229 HydrophobicContact CB-CB 3.93Å; E225-A229 PolarHBondContact O-N 3.16Å; E225-A229 VanDerWaalsContact O-N 3.16Å; Q226-A229 PolarHBondContact O-N 3.26Å; V227-A229 VanDerWaalsContact C-N 3.34Å; A229-P233 WeakPolarHBondContact O-CD 3.35Å
230Y92.4Very high92.7Very high142 Ų14240.2 Ų40.256%0.55721%0.212SC*.Hα-helixtrans-69.8-42.9174.3176.5-103.6000113.2V166 Q226 V227 L228 L232 P233V166-Y230 HydrophobicContact CG2-CE1 4.35Å; Q226-Y230 PolarHBondContact O-N 3.22Å; V227-Y230 PolarHBondContact O-N 2.84Å; L228-Y230 VanDerWaalsContact C-N 3.27Å; L228-Y230 PolarHBondContact O-N 3.21Å; Y230-L232 PolarHBondContact O-N 3.24Å; Y230-P233 WeakPolarHBondContact O-CD 3.49Å
231F93Very high92.8Very high3 Ų342.8 Ų42.81%0.01322%0.224CC..Hα-helixtrans-71.3-29.5-178.7-64.2-32.8000113.8L158 M161 V166 I179 V227 L228 E234 A235 V239L158-F231 HydrophobicContact CB-CE2 4.48Å; L158-F231 HydrophobicContact CD2-CE2 3.82Å; M161-F231 HydrophobicContact SD-CE1 4.2Å; V166-F231 HydrophobicContact CG1-CB 4.42Å; V166-F231 HydrophobicContact CG1-CD1 3.6Å; V166-F231 HydrophobicContact CG1-CE1 4.25Å; V166-F231 HydrophobicContact CG1-CG 4.3Å; I179-F231 HydrophobicContact CD1-CD2 4.47Å; V227-F231 HydrophobicContact CG1-CD2 4Å; V227-F231 HydrophobicContact CG1-CE2 3.37Å; V227-F231 HydrophobicContact CG1-CZ 3.77Å; V227-F231 WeakPolarHBondContact O-CD2 3.49Å; V227-F231 WeakPolarHBondContact O-CG 3.33Å; V227-F231 PolarHBondContact O-N 2.89Å; V227-F231 VanDerWaalsContact O-N 3.11Å; L228-F231 PolarHBondContact O-N 2.96Å; F231-E234 PolarHBondContact O-N 3.39Å; F231-A235 PolarHBondContact O-N 3.48Å; F231-V239 HydrophobicContact CB-CG2 4.17Å
232L93.9Very high92.9Very high0 Ų042.9 Ų42.90%023%0.225CC..Hα-helixtrans-61.8-46.8-174.1174.369.1000113.5Y218 L221 L228 Y230 P236 V239 L240 F243 I269 L289Y218-L232 HydrophobicContact CD2-CD2 3.91Å; Y218-L232 HydrophobicContact CE2-CD2 4.11Å; L221-L232 HydrophobicContact CD2-CD2 4.03Å; L228-L232 WeakPolarHBondContact O-CB 3.34Å; L228-L232 PolarHBondContact O-N 3.29Å; Y230-L232 PolarHBondContact O-N 3.24Å; L232-P236 VanDerWaalsContact O-CA 3.25Å; L232-P236 WeakPolarHBondContact O-CA 3.28Å; L232-P236 WeakPolarHBondContact O-CB 3.43Å; L232-P236 WeakPolarHBondContact O-CD 3.36Å; L232-V239 HydrophobicContact CB-CG1 4.24Å; L232-V239 HydrophobicContact CD1-CB 4.36Å; L232-V239 HydrophobicContact CD1-CG1 3.86Å; L232-L240 HydrophobicContact CD1-CD2 3.96Å; L232-L240 HydrophobicContact CD1-CG 4.19Å; L232-F243 HydrophobicContact CD1-CE2 4.13Å; L232-F243 HydrophobicContact CD2-CE2 4.47Å; L232-I269 HydrophobicContact CD2-CD1 3.91Å; L232-I269 HydrophobicContact CD2-CG1 4.06Å; L232-I269 HydrophobicContact CD2-CG2 4.28Å; L232-L289 HydrophobicContact CD1-CD2 4.48Å; L232-L289 HydrophobicContact CD2-CD2 4.46Å; L232-L289 HydrophobicContact CG-CD2 4.12Å
233P93.7Very high93.1Very high33 Ų3341.3 Ų41.321%0.21421%0.212CC..Hα-helixtrans-68.7-32.1176-23.834.8000114.8Y218 A229 Y230 L272 Q288 L289Y218-P233 HydrophobicContact CE2-CG 4.22Å; A229-P233 WeakPolarHBondContact O-CD 3.35Å; Y230-P233 WeakPolarHBondContact O-CD 3.49Å; P233-L272 HydrophobicContact CG-CD1 4.3Å; P233-Q288 VanDerWaalsContact O-CA 3.29Å; P233-Q288 WeakPolarHBondContact O-CA 3.42Å; P233-Q288 WeakPolarHBondContact O-CB 3.19Å; P233-L289 PolarHBondContact O-N 3.18Å
234E92.5Very high93.2Very high84 Ų8439 Ų3939%0.39319%0.193SC..Hα-helixtrans-81.1-38.7-174.4-173.465.9-178.700112.7V166 F231 P236 Q288V166-E234 HydrophobicContact CB-CG 3.85Å; V166-E234 HydrophobicContact CG1-CB 4.24Å; V166-E234 HydrophobicContact CG1-CG 4.07Å; V166-E234 HydrophobicContact CG2-CG 3.94Å; F231-E234 PolarHBondContact O-N 3.39Å; E234-P236 VanDerWaalsContact C-CD 3.49Å; E234-Q288 PolarHBondContact OE2-NE2 2.83Å
235A92.6Very high93.4Very high5 Ų539.4 Ų39.44%0.04119%0.186CC..SBendtrans-13257.8179.900000112.6V166 V167 F231 Q237 H238 V239V166-A235 HydrophobicContact CG1-CB 4.07Å; V167-A235 HydrophobicContact CG2-CB 4.03Å; F231-A235 PolarHBondContact O-N 3.48Å; A235-Q237 VanDerWaalsContact C-N 3.31Å; A235-Q237 PolarHBondContact O-N 3.42Å; A235-H238 PolarHBondContact O-N 3.21Å; A235-V239 VanDerWaalsContact O-CG2 3.31Å; A235-V239 WeakPolarHBondContact O-CG2 3.43Å; A235-V239 PolarHBondContact O-N 2.7Å; A235-V239 VanDerWaalsContact O-N 3.15Å
236P94.6Very high93.7Very high1 Ų137.2 Ų37.21%0.00618%0.176CC..Hα-helixtrans-62.3-34-171.824.3-35.5000113.8L232 E234 H238 L240 N287 L289 V402L232-P236 VanDerWaalsContact O-CA 3.25Å; L232-P236 WeakPolarHBondContact O-CA 3.28Å; L232-P236 WeakPolarHBondContact O-CB 3.43Å; L232-P236 WeakPolarHBondContact O-CD 3.36Å; E234-P236 VanDerWaalsContact C-CD 3.49Å; P236-H238 PolarHBondContact O-N 3.18Å; P236-L240 HydrophobicContact CB-CD1 4.32Å; P236-L240 WeakPolarHBondContact O-CB 2.99Å; P236-L240 WeakPolarHBondContact O-CG 3.49Å; P236-L240 PolarHBondContact O-N 2.87Å; P236-N287 WeakPolarHBondContact CD-O 3.31Å; P236-N287 WeakPolarHBondContact CG-O 3.26Å; P236-L289 HydrophobicContact CB-CB 4.01Å; P236-L289 HydrophobicContact CB-CD1 4.1Å; P236-L289 HydrophobicContact CG-CB 4.14Å; P236-V402 HydrophobicContact CB-CG2 3.72Å; P236-V402 HydrophobicContact CG-CB 4.37Å; P236-V402 HydrophobicContact CG-CG1 3.92Å; P236-V402 HydrophobicContact CG-CG2 3.57Å
237Q92.1Very high93.8Very high106 Ų10630.3 Ų30.350%0.49514%0.144SC..Hα-helixtrans-61.6-43.4-175.8-175.3175.7-4.200112.1A235 E241A235-Q237 VanDerWaalsContact C-N 3.31Å; A235-Q237 PolarHBondContact O-N 3.42Å; Q237-E241 PolarHBondContact O-N 3.41Å
238H93.3Very high93.9Very high43 Ų4333.6 Ų33.620%0.19915%0.154CC..Hα-helixtrans-82.4-39.6-179.9-59.2-45.2000111.8V170 Q171 A235 P236 E241 I242V170-H238 HydrophobicContact CG1-CB 3.85Å; Q171-H238 PolarHBondContact NE2-CE1 3.4Å; Q171-H238 PolarHBondContact NE2-NE2 3.18Å; A235-H238 PolarHBondContact O-N 3.21Å; P236-H238 PolarHBondContact O-N 3.18Å; H238-E241 WeakPolarHBondContact O-CB 3.39Å; H238-E241 PolarHBondContact O-N 2.89Å; H238-I242 VanDerWaalsContact O-CG1 3.29Å; H238-I242 WeakPolarHBondContact O-CG1 3.49Å; H238-I242 PolarHBondContact O-N 2.92Å; H238-I242 VanDerWaalsContact O-N 3.12Å
239V95Very high93.9Very high1 Ų136.1 Ų36.11%0.00617%0.166CC..Hα-helixtrans-64.4-42.9179.5176.50000111.1V170 F231 L232 A235 E241 I242 F243V170-V239 HydrophobicContact CG1-CG2 4.08Å; V170-V239 HydrophobicContact CG2-CG2 4.29Å; F231-V239 HydrophobicContact CB-CG2 4.17Å; L232-V239 HydrophobicContact CB-CG1 4.24Å; L232-V239 HydrophobicContact CD1-CB 4.36Å; L232-V239 HydrophobicContact CD1-CG1 3.86Å; A235-V239 VanDerWaalsContact O-CG2 3.31Å; A235-V239 WeakPolarHBondContact O-CG2 3.43Å; A235-V239 PolarHBondContact O-N 2.7Å; A235-V239 VanDerWaalsContact O-N 3.15Å; V239-E241 VanDerWaalsContact C-N 3.35Å; V239-E241 PolarHBondContact O-N 3.05Å; V239-I242 PolarHBondContact O-N 2.86Å; V239-F243 HydrophobicContact CG1-CD1 4.18Å; V239-F243 HydrophobicContact CG1-CD2 4.19Å; V239-F243 HydrophobicContact CG1-CE1 3.75Å; V239-F243 HydrophobicContact CG1-CE2 3.76Å; V239-F243 HydrophobicContact CG1-CG 4.39Å; V239-F243 HydrophobicContact CG1-CZ 3.52Å; V239-F243 WeakPolarHBondContact O-CD1 3.19Å; V239-F243 WeakPolarHBondContact O-CG 2.88Å; V239-F243 PolarHBondContact O-N 3.38Å
240L94.8Very high94Very high18 Ų1836.1 Ų36.19%0.09417%0.166CC..Hα-helixtrans-65-36.9176.6-69.4172.1000112.2L232 P236 I242 F243 D244 I269 N427L232-L240 HydrophobicContact CD1-CD2 3.96Å; L232-L240 HydrophobicContact CD1-CG 4.19Å; P236-L240 HydrophobicContact CB-CD1 4.32Å; P236-L240 WeakPolarHBondContact O-CB 2.99Å; P236-L240 WeakPolarHBondContact O-CG 3.49Å; P236-L240 PolarHBondContact O-N 2.87Å; L240-I242 VanDerWaalsContact C-N 3.31Å; L240-I242 PolarHBondContact O-N 2.11Å; L240-F243 PolarHBondContact O-N 2.63Å; L240-D244 WeakPolarHBondContact O-CB 3.32Å; L240-D244 VanDerWaalsContact O-CG 3.26Å; L240-D244 PolarHBondContact O-N 2.66Å; L240-I269 HydrophobicContact CD2-CD1 4.43Å; L240-I269 HydrophobicContact CD2-CG1 4Å; L240-N427 HydrophobicContact CD1-CB 4.42Å
241E93.7Very high93.9Very high87 Ų8729.3 Ų29.341%0.40714%0.139SC..Hα-helixtrans-60-42.4173.9-172.1-172.3147.500111.4R176 Q237 H238 V239 D244 E245R176-E241 IonicContact CZ-OE1 3.4Å; R176-E241 IonicContact NH1-OE1 2.7Å; R176-E241 IonicContact NH2-OE1 3.58Å; R176-E241 PolarHBondContact NH2-OE1 2.95Å; Q237-E241 PolarHBondContact O-N 3.41Å; H238-E241 WeakPolarHBondContact O-CB 3.39Å; H238-E241 PolarHBondContact O-N 2.89Å; V239-E241 VanDerWaalsContact C-N 3.35Å; V239-E241 PolarHBondContact O-N 3.05Å; E241-D244 PolarHBondContact O-N 2.8Å; E241-E245 PolarHBondContact O-N 3.25Å; E241-E245 VanDerWaalsContact O-N 3.17Å
242I95.4Very high93.9Very high2 Ų231 Ų311%0.0115%0.148CC..Hα-helixtrans-67.3-40.7176.9-61164.7000111.1V170 R176 I179 K180 H238 V239 L240 E245 A246V170-I242 HydrophobicContact CG1-CD1 3.64Å; R176-I242 HydrophobicContact CB-CD1 4.31Å; R176-I242 HydrophobicContact CG-CD1 3.74Å; R176-I242 HydrophobicContact CG-CG1 3.8Å; I179-I242 HydrophobicContact CB-CG2 4.32Å; I179-I242 HydrophobicContact CD1-CD1 4.44Å; I179-I242 HydrophobicContact CG2-CB 4.39Å; I179-I242 HydrophobicContact CG2-CD1 4.26Å; I179-I242 HydrophobicContact CG2-CG2 3.77Å; K180-I242 HydrophobicContact CB-CG2 3.76Å; K180-I242 HydrophobicContact CG-CG2 4.35Å; H238-I242 VanDerWaalsContact O-CG1 3.29Å; H238-I242 WeakPolarHBondContact O-CG1 3.49Å; H238-I242 PolarHBondContact O-N 2.92Å; H238-I242 VanDerWaalsContact O-N 3.12Å; V239-I242 PolarHBondContact O-N 2.86Å; L240-I242 VanDerWaalsContact C-N 3.31Å; L240-I242 PolarHBondContact O-N 2.11Å; I242-E245 PolarHBondContact O-N 3.25Å; I242-A246 WeakPolarHBondContact O-CB 3.16Å; I242-A246 PolarHBondContact O-N 2.83Å
243F95.9Very high93.8Very high0 Ų035.5 Ų35.50%018%0.175CC..Hα-helixtrans-65.1-40.7177.7-73.71.5000112I179 F183 L221 L228 L232 V239 L240 A246 A247 V267I179-F243 HydrophobicContact CG2-CE1 4.09Å; F183-F243 HydrophobicContact CB-CD1 4.05Å; F183-F243 HydrophobicContact CB-CE1 3.93Å; F183-F243 HydrophobicContact CD1-CB 4.38Å; F183-F243 AromaticContact CD1-CD1 3.93Å; F183-F243 HydrophobicContact CD1-CD1 3.93Å; F183-F243 HydrophobicContact CD1-CG 4.25Å; F183-F243 AromaticContact CD2-CD1 3.62Å; F183-F243 HydrophobicContact CD2-CD1 3.62Å; F183-F243 HydrophobicContact CD2-CD2 4.18Å; F183-F243 AromaticContact CD2-CE1 3.46Å; F183-F243 HydrophobicContact CD2-CE1 3.46Å; F183-F243 VanDerWaalsContact CD2-CE1 3.46Å; F183-F243 HydrophobicContact CD2-CE2 4.04Å; F183-F243 AromaticContact CD2-CG 3.98Å; F183-F243 HydrophobicContact CD2-CG 3.98Å; F183-F243 AromaticContact CD2-CZ 3.68Å; F183-F243 HydrophobicContact CD2-CZ 3.68Å; F183-F243 HydrophobicContact CE1-CB 3.85Å; F183-F243 HydrophobicContact CE1-CD1 4.16Å; F183-F243 AromaticContact CE1-CG 3.99Å; F183-F243 HydrophobicContact CE1-CG 3.99Å; F183-F243 HydrophobicContact CE2-CB 4.38Å; F183-F243 AromaticContact CE2-CD1 3.9Å; F183-F243 HydrophobicContact CE2-CD1 3.9Å; F183-F243 AromaticContact CE2-CD2 3.68Å; F183-F243 HydrophobicContact CE2-CD2 3.68Å; F183-F243 AromaticContact CE2-CE1 4Å; F183-F243 HydrophobicContact CE2-CE1 4Å; F183-F243 AromaticContact CE2-CE2 3.79Å; F183-F243 HydrophobicContact CE2-CE2 3.79Å; F183-F243 AromaticContact CE2-CG 3.74Å; F183-F243 HydrophobicContact CE2-CG 3.74Å; F183-F243 AromaticContact CE2-CZ 3.94Å; F183-F243 HydrophobicContact CE2-CZ 3.94Å; F183-F243 AromaticContact CG-CD1 3.59Å; F183-F243 HydrophobicContact CG-CD1 3.59Å; F183-F243 AromaticContact CG-CE1 3.72Å; F183-F243 HydrophobicContact CG-CE1 3.72Å; F183-F243 HydrophobicContact CG-CG 4.19Å; F183-F243 HydrophobicContact CG-CZ 4.4Å; F183-F243 HydrophobicContact CZ-CB 3.82Å; F183-F243 HydrophobicContact CZ-CD1 4.11Å; F183-F243 AromaticContact CZ-CD2 3.9Å; F183-F243 HydrophobicContact CZ-CD2 3.9Å; F183-F243 HydrophobicContact CZ-CE2 4.47Å; F183-F243 AromaticContact CZ-CG 3.7Å; F183-F243 HydrophobicContact CZ-CG 3.7Å; L221-F243 HydrophobicContact CD2-CE2 4.15Å; L221-F243 HydrophobicContact CD2-CZ 4.28Å; L228-F243 HydrophobicContact CB-CZ 4.4Å; L228-F243 HydrophobicContact CD1-CE1 4.41Å; L228-F243 HydrophobicContact CD1-CZ 4.49Å; L232-F243 HydrophobicContact CD1-CE2 4.13Å; L232-F243 HydrophobicContact CD2-CE2 4.47Å; V239-F243 HydrophobicContact CG1-CD1 4.18Å; V239-F243 HydrophobicContact CG1-CD2 4.19Å; V239-F243 HydrophobicContact CG1-CE1 3.75Å; V239-F243 HydrophobicContact CG1-CE2 3.76Å; V239-F243 HydrophobicContact CG1-CG 4.39Å; V239-F243 HydrophobicContact CG1-CZ 3.52Å; V239-F243 WeakPolarHBondContact O-CD1 3.19Å; V239-F243 WeakPolarHBondContact O-CG 2.88Å; V239-F243 PolarHBondContact O-N 3.38Å; L240-F243 PolarHBondContact O-N 2.63Å; F243-A246 PolarHBondContact O-N 2.83Å; F243-A247 VanDerWaalsContact O-CB 3.26Å; F243-A247 WeakPolarHBondContact O-CB 3.38Å; F243-A247 PolarHBondContact O-N 3.41Å; F243-V267 HydrophobicContact CB-CB 4.19Å; F243-V267 HydrophobicContact CB-CG1 4.41Å; F243-V267 HydrophobicContact CB-CG2 4.03Å; F243-V267 HydrophobicContact CD2-CG1 4.43Å
244D95.2Very high93.6Very high34 Ų3439.1 Ų39.118%0.18219%0.185CC..Hα-helixtrans-60.2-45.7175.3-76.14.2000111L240 E241 R248 V265 H266 V267L240-D244 WeakPolarHBondContact O-CB 3.32Å; L240-D244 VanDerWaalsContact O-CG 3.26Å; L240-D244 PolarHBondContact O-N 2.66Å; E241-D244 PolarHBondContact O-N 2.8Å; D244-R248 VanDerWaalsContact O-CB 3.32Å; D244-R248 WeakPolarHBondContact O-CB 3.42Å; D244-R248 PolarHBondContact O-N 3.11Å; D244-V265 WeakPolarHBondContact CA-O 3.38Å; D244-V265 VanDerWaalsContact CB-O 3.27Å; D244-V265 WeakPolarHBondContact CB-O 3.23Å; D244-V265 VanDerWaalsContact CG-O 3.29Å; D244-H266 WeakPolarHBondContact OD1-CA 3.4Å; D244-H266 IonicContact OD2-CE1 2.88Å; D244-H266 IonicContact OD2-CG 3.4Å; D244-H266 IonicContact OD2-ND1 2.76Å; D244-H266 PolarHBondContact OD2-ND1 2.69Å; D244-V267 PolarHBondContact OD1-N 3.39Å
245E94.6Very high93.5Very high57 Ų5738.9 Ų38.927%0.26618%0.183SC..Hα-helixtrans-61.9-44.9175-75.1-176.5-155.400112.8R176 K180 E241 I242 R248 E249R176-E245 IonicContact CZ-OE1 3.33Å; R176-E245 IonicContact NH2-OE1 2.72Å; R176-E245 PolarHBondContact NH2-OE1 2.77Å; K180-E245 IonicContact NZ-OE2 3.06Å; K180-E245 PolarHBondContact NZ-OE2 2.99Å; E241-E245 PolarHBondContact O-N 3.25Å; E241-E245 VanDerWaalsContact O-N 3.17Å; I242-E245 PolarHBondContact O-N 3.25Å; E245-R248 PolarHBondContact O-N 2.9Å; E245-E249 WeakPolarHBondContact O-CG 3.25Å; E245-E249 PolarHBondContact O-N 3.17Å
246A95.1Very high93.4Very high0 Ų043.5 Ų43.50%021%0.212CC..Hα-helixtrans-65.5-45.8-179.600000111.8K180 F183 K184 I242 F243 R248 E249 V250K180-A246 HydrophobicContact CG-CB 3.96Å; F183-A246 HydrophobicContact CD1-CB 3.51Å; F183-A246 HydrophobicContact CE1-CB 4.13Å; K184-A246 HydrophobicContact CG-CB 4.02Å; I242-A246 WeakPolarHBondContact O-CB 3.16Å; I242-A246 PolarHBondContact O-N 2.83Å; F243-A246 PolarHBondContact O-N 2.83Å; A246-R248 VanDerWaalsContact C-N 3.31Å; A246-R248 PolarHBondContact O-N 3.09Å; A246-E249 PolarHBondContact O-N 2.84Å; A246-V250 WeakPolarHBondContact O-CG2 3.33Å; A246-V250 PolarHBondContact O-N 3.46Å
247A94.6Very high93.1Very high0 Ų053.2 Ų53.20%025%0.249CC..Hα-helixtrans-61.4-40.5176.800000111.5L187 L214 F243 V250 T251 V265 V267L187-A247 HydrophobicContact CD1-CB 4.43Å; L214-A247 HydrophobicContact CD2-CB 3.95Å; F243-A247 VanDerWaalsContact O-CB 3.26Å; F243-A247 WeakPolarHBondContact O-CB 3.38Å; F243-A247 PolarHBondContact O-N 3.41Å; A247-V250 PolarHBondContact O-N 3.02Å; A247-T251 WeakPolarHBondContact O-CB 3.47Å; A247-T251 PolarHBondContact O-N 3.18Å; A247-T251 PolarHBondContact O-OG1 2.96Å; A247-V265 HydrophobicContact CB-CG1 4.19Å; A247-V267 HydrophobicContact CB-CG2 3.71Å
248R93.6Very high93Very high84 Ų8448.6 Ų48.632%0.31723%0.227SC..Hα-helixtrans-59.6-47.5173.8-172.2-172.470.693.64.6111.5D244 E245 A246 T251 L252 N263 V265D244-R248 VanDerWaalsContact O-CB 3.32Å; D244-R248 WeakPolarHBondContact O-CB 3.42Å; D244-R248 PolarHBondContact O-N 3.11Å; E245-R248 PolarHBondContact O-N 2.9Å; A246-R248 VanDerWaalsContact C-N 3.31Å; A246-R248 PolarHBondContact O-N 3.09Å; R248-T251 PolarHBondContact O-N 3.12Å; R248-L252 HydrophobicContact CG-CD1 3.99Å; R248-L252 HydrophobicContact CG-CG 4.47Å; R248-L252 WeakPolarHBondContact O-CB 3.36Å; R248-L252 VanDerWaalsContact O-CG 3.29Å; R248-L252 WeakPolarHBondContact O-CG 3.37Å; R248-L252 PolarHBondContact O-N 2.84Å; R248-N263 WeakPolarHBondContact CD-O 3.31Å; R248-V265 HydrophobicContact CB-CB 4.49Å; R248-V265 HydrophobicContact CB-CG2 4.45Å
249E93.9Very high92.8Very high54 Ų5451 Ų5125%0.25224%0.241SC..Hα-helixtrans-65.3-40.5-179.7-75.2176.6-161.600112.9K180 K184 E245 A246 L252 T253K180-E249 VanDerWaalsContact CE-CD 3.41Å; K180-E249 WeakPolarHBondContact CE-OE1 3.15Å; K180-E249 VanDerWaalsContact CE-OE2 3.25Å; K180-E249 WeakPolarHBondContact CE-OE2 3Å; K180-E249 IonicContact NZ-OE1 3.92Å; K180-E249 PolarHBondContact NZ-OE1 3.41Å; K180-E249 IonicContact NZ-OE2 3.51Å; K184-E249 WeakPolarHBondContact CE-OE2 3.25Å; K184-E249 IonicContact NZ-OE2 2.63Å; K184-E249 PolarHBondContact NZ-OE2 2.84Å; E245-E249 WeakPolarHBondContact O-CG 3.25Å; E245-E249 PolarHBondContact O-N 3.17Å; A246-E249 PolarHBondContact O-N 2.84Å; E249-L252 PolarHBondContact O-N 3.25Å; E249-T253 PolarHBondContact O-N 2.91Å; E249-T253 PolarHBondContact O-OG1 3.5Å
250V93.2Very high92.5Very high4 Ų461.4 Ų61.42%0.02428%0.28CS..Hα-helixtrans-64.3-42.1174.6176.90000111K184 L187 I203 A246 A247 T253 R254K184-V250 HydrophobicContact CB-CG2 4.11Å; K184-V250 HydrophobicContact CG-CG2 3.85Å; L187-V250 HydrophobicContact CD1-CB 4.39Å; L187-V250 HydrophobicContact CD1-CG2 4.14Å; I203-V250 HydrophobicContact CD1-CG1 3.89Å; A246-V250 WeakPolarHBondContact O-CG2 3.33Å; A246-V250 PolarHBondContact O-N 3.46Å; A247-V250 PolarHBondContact O-N 3.02Å; V250-T253 PolarHBondContact O-N 2.8Å; V250-R254 PolarHBondContact O-N 3.49Å
251T92.3Very high92.1Very high0 Ų064.6 Ų64.60%030%0.297CS..Hα-helixtrans-64-44.5178-560000111.4I203 M206 A247 R248 T253 R254 F255 Y258I203-T251 HydrophobicContact CG2-CG2 4.18Å; M206-T251 HydrophobicContact CE-CG2 3.86Å; A247-T251 WeakPolarHBondContact O-CB 3.47Å; A247-T251 PolarHBondContact O-N 3.18Å; A247-T251 PolarHBondContact O-OG1 2.96Å; R248-T251 PolarHBondContact O-N 3.12Å; T251-T253 VanDerWaalsContact C-N 3.33Å; T251-T253 PolarHBondContact O-N 2.86Å; T251-R254 PolarHBondContact O-N 3.25Å; T251-F255 PolarHBondContact O-N 3.22Å; T251-Y258 HydrophobicContact CG2-CD1 3.85Å; T251-Y258 HydrophobicContact CG2-CD2 4.49Å; T251-Y258 HydrophobicContact CG2-CE1 4.21Å; T251-Y258 HydrophobicContact CG2-CG 4.03Å
252L92Very high91.7Very high38 Ų3862 Ų6220%0.19929%0.287CS..Hα-helixtrans-67.1-32177.7-72173000113.1R248 E249 R254 F255 P256 D259R248-L252 HydrophobicContact CG-CD1 3.99Å; R248-L252 HydrophobicContact CG-CG 4.47Å; R248-L252 WeakPolarHBondContact O-CB 3.36Å; R248-L252 VanDerWaalsContact O-CG 3.29Å; R248-L252 WeakPolarHBondContact O-CG 3.37Å; R248-L252 PolarHBondContact O-N 2.84Å; E249-L252 PolarHBondContact O-N 3.25Å; L252-R254 VanDerWaalsContact C-N 3.28Å; L252-R254 PolarHBondContact O-N 2.92Å; L252-F255 CarbonylContact O-C 3.29Å; L252-P256 WeakPolarHBondContact O-CA 3.43Å; L252-D259 HydrophobicContact CD2-CB 3.94Å
253T92.1Very high91.2Very high94 Ų9467 Ų6758%0.57731%0.314SS*.Hα-helixtrans-61.6-39.8174.6-55.10000110.9E249 V250 T251E249-T253 PolarHBondContact O-N 2.91Å; E249-T253 PolarHBondContact O-OG1 3.5Å; V250-T253 PolarHBondContact O-N 2.8Å; T251-T253 VanDerWaalsContact C-N 3.33Å; T251-T253 PolarHBondContact O-N 2.86Å
254R88.5Confident90.8Very high110 Ų11072.1 Ų72.142%0.41533%0.333SS..Hα-helixtrans-81-40.2177.5-69.4-169.8172.9-154.1-2.6113.1A200 V250 T251 L252A200-R254 PolarHBondContact O-NH1 3.43Å; V250-R254 PolarHBondContact O-N 3.49Å; T251-R254 PolarHBondContact O-N 3.25Å; L252-R254 VanDerWaalsContact C-N 3.28Å; L252-R254 PolarHBondContact O-N 2.92Å
255F90.6Very high90.7Very high78 Ų7870.6 Ų70.634%0.34233%0.325SS..  trans-127.785.9-176.8-61.5-73.4000110.7V204 A207 T251 L252 R257 Y258V204-F255 HydrophobicContact CG2-CE2 4.17Å; V204-F255 HydrophobicContact CG2-CZ 4.15Å; A207-F255 HydrophobicContact CB-CD2 3.97Å; A207-F255 HydrophobicContact CB-CE2 3.92Å; A207-F255 HydrophobicContact CB-CZ 4.49Å; T251-F255 PolarHBondContact O-N 3.22Å; L252-F255 CarbonylContact O-C 3.29Å; F255-R257 PolarHBondContact O-N 3.12Å; F255-Y258 VanDerWaalsContact O-CB 3.23Å; F255-Y258 WeakPolarHBondContact O-CB 3.27Å; F255-Y258 PolarHBondContact O-N 3.48Å
256P90.1Very high90.7Very high103 Ų10369.3 Ų69.367%0.66932%0.319SS*.THydrogen-bonded Turntrans-59.7-24.1-177.9-26.935.1000114.3L252L252-P256 WeakPolarHBondContact O-CA 3.43Å
257R89.9Confident90.7Very high204 Ų20469.3 Ų69.377%0.7732%0.319SS*.THydrogen-bonded Turntrans-85.7-4.5-179.7-65.4-176.8179.5169.31.2114.1F255 D259 R260F255-R257 PolarHBondContact O-N 3.12Å; R257-D259 PolarHBondContact O-N 3.47Å; R257-R260 PolarHBondContact O-N 3.3Å
258Y89.7Confident90.7Very high10 Ų1069.9 Ų69.94%0.03932%0.321CS..G310 helixtrans-63.7-27.1-176.3-168.8-98.3000113.2A207 K211 T251 F255 R260 I261 T262 V265A207-Y258 HydrophobicContact CB-CD2 4.26Å; A207-Y258 HydrophobicContact CB-CE2 4.22Å; K211-Y258 PolarHBondContact O-OH 2.81Å; T251-Y258 HydrophobicContact CG2-CD1 3.85Å; T251-Y258 HydrophobicContact CG2-CD2 4.49Å; T251-Y258 HydrophobicContact CG2-CE1 4.21Å; T251-Y258 HydrophobicContact CG2-CG 4.03Å; F255-Y258 VanDerWaalsContact O-CB 3.23Å; F255-Y258 WeakPolarHBondContact O-CB 3.27Å; F255-Y258 PolarHBondContact O-N 3.48Å; Y258-R260 PolarHBondContact O-N 3.13Å; Y258-I261 HydrophobicContact CD2-CD1 4.05Å; Y258-I261 HydrophobicContact CE2-CD1 4.25Å; Y258-I261 PolarHBondContact O-N 2.9Å; Y258-T262 WeakPolarHBondContact CE1-OG1 3.25Å; Y258-T262 PolarHBondContact O-N 2.89Å; Y258-T262 PolarHBondContact OH-OG1 3.06Å; Y258-V265 HydrophobicContact CE1-CG2 4.02Å
259D88Confident90.8Very high92 Ų9265.9 Ų65.949%0.49231%0.306SS..G310 helixtrans-57.4-22.9177.7-165.752.7000114L252 R257 I261L252-D259 HydrophobicContact CD2-CB 3.94Å; R257-D259 PolarHBondContact O-N 3.47Å; D259-I261 VanDerWaalsContact C-N 3.32Å
260R89Confident90.7Very high220 Ų22064.9 Ų64.983%0.8330%0.302SS*.G310 helixtrans-75.2-19.9176.8-63.9-176.6-179.8-176.2-0.9113.8R257 Y258R257-R260 PolarHBondContact O-N 3.3Å; Y258-R260 PolarHBondContact O-N 3.13Å
261I86.8Confident90.4Very high85 Ų8567.6 Ų67.644%0.43632%0.317SS..THydrogen-bonded Turntrans-92-58.3-176.2-59.1162.4000108.8N210 Y258 D259N210-I261 HydrophobicContact CB-CG2 4.09Å; N210-I261 WeakPolarHBondContact OD1-CD1 3.29Å; Y258-I261 HydrophobicContact CD2-CD1 4.05Å; Y258-I261 HydrophobicContact CE2-CD1 4.25Å; Y258-I261 PolarHBondContact O-N 2.9Å; D259-I261 VanDerWaalsContact C-N 3.32Å
262T84.3Confident90.3Very high34 Ų3468 Ų6821%0.20932%0.319CS..  trans-144.1133.9178.151.60000110.1H212 Y258 R264H212-T262 HydrophobicContact CB-CG2 4.11Å; Y258-T262 WeakPolarHBondContact CE1-OG1 3.25Å; Y258-T262 PolarHBondContact O-N 2.89Å; Y258-T262 PolarHBondContact OH-OG1 3.06Å; T262-R264 VanDerWaalsContact C-N 3.32Å
263N85.1Confident90.2Very high107 Ų10770.4 Ų70.457%0.57234%0.337SS*.SBendtrans-83.1-8178.262.2-17.1000113.7R248R248-N263 WeakPolarHBondContact CD-O 3.31Å
264R88.3Confident90.2Very high106 Ų10670.9 Ų70.940%0.434%0.335SS..  trans-128.6143.9-176.5-66.5178.7-178.9-170.1-1.7109.8H212 T262H212-R264 WeakPolarHBondContact CB-O 3.41Å; T262-R264 VanDerWaalsContact C-N 3.32Å
265V92.7Very high90.4Very high3 Ų369.4 Ų69.42%0.01834%0.335CS..  trans-128.6126.9171.8178.20000106.3M206 H212 L214 D244 A247 R248 Y258M206-V265 HydrophobicContact CE-CG1 4.09Å; M206-V265 HydrophobicContact CE-CG2 4.45Å; M206-V265 HydrophobicContact SD-CG1 4.01Å; H212-V265 CarbonylContact O-C 3.35Å; H212-V265 WeakPolarHBondContact O-CA 3.33Å; L214-V265 HydrophobicContact CB-CG1 4.35Å; D244-V265 WeakPolarHBondContact CA-O 3.38Å; D244-V265 VanDerWaalsContact CB-O 3.27Å; D244-V265 WeakPolarHBondContact CB-O 3.23Å; D244-V265 VanDerWaalsContact CG-O 3.29Å; A247-V265 HydrophobicContact CB-CG1 4.19Å; R248-V265 HydrophobicContact CB-CB 4.49Å; R248-V265 HydrophobicContact CB-CG2 4.45Å; Y258-V265 HydrophobicContact CE1-CG2 4.02Å
266H94.5Very high90.5Very high29 Ų2966.9 Ų66.913%0.13432%0.324CS..EExtended strand (participates in β ladder)trans-104.6130.6-179.4-68.4-53.2000111H212 S213 L214 D244 D385H212-H266 AromaticContact CD2-CD2 3.86Å; H212-H266 PolarHBondContact O-N 3.43Å; S213-H266 WeakPolarHBondContact CA-O 3.37Å; L214-H266 PolarHBondContact N-O 3.39Å; D244-H266 WeakPolarHBondContact OD1-CA 3.4Å; D244-H266 IonicContact OD2-CE1 2.88Å; D244-H266 IonicContact OD2-CG 3.4Å; D244-H266 IonicContact OD2-ND1 2.76Å; D244-H266 PolarHBondContact OD2-ND1 2.69Å; H266-D385 IonicContact NE2-OD2 3.69Å
267V95.7Very high90.6Very high0 Ų065 Ų650%031%0.309CS..EExtended strand (participates in β ladder)trans-89.3117.1178.3176.30000110.5F183 L214 I216 F243 D244 A247 I269 N427F183-V267 HydrophobicContact CZ-CG1 4.32Å; F183-V267 HydrophobicContact CZ-CG2 4.34Å; L214-V267 WeakPolarHBondContact O-CA 3.43Å; I216-V267 HydrophobicContact CB-CG1 4.34Å; I216-V267 HydrophobicContact CD1-CG1 3.45Å; I216-V267 VanDerWaalsContact CD1-CG1 3.45Å; I216-V267 HydrophobicContact CG1-CG1 3.91Å; F243-V267 HydrophobicContact CB-CB 4.19Å; F243-V267 HydrophobicContact CB-CG1 4.41Å; F243-V267 HydrophobicContact CB-CG2 4.03Å; F243-V267 HydrophobicContact CD2-CG1 4.43Å; D244-V267 PolarHBondContact OD1-N 3.39Å; A247-V267 HydrophobicContact CB-CG2 3.71Å; V267-I269 HydrophobicContact CG1-CD1 3.99Å; V267-N427 PolarHBondContact O-ND2 3.18Å; V267-N427 VanDerWaalsContact O-ND2 3.16Å; V267-N427 PolarHBondContact O-OD1 2.82Å; V267-N427 VanDerWaalsContact O-OD1 3.13Å
268R95.3Very high90.8Very high12 Ų1255.5 Ų55.55%0.04527%0.273CS..EExtended strand (participates in β ladder)trans-100.3116.6-177.2-54.7-64.4175.5-1502.8109.1L214 H215 I216 D386 N427 N428L214-R268 PolarHBondContact O-N 3.49Å; H215-R268 CarbonylContact C-O 3.6Å; H215-R268 WeakPolarHBondContact CA-O 3.4Å; I216-R268 PolarHBondContact N-O 3.44Å; R268-D386 IonicContact CZ-OD1 3.49Å; R268-D386 IonicContact NE-OD1 3.52Å; R268-D386 IonicContact NE-OD2 2.7Å; R268-D386 IonicContact NH2-OD1 3.3Å; R268-D386 PolarHBondContact NH2-OD1 3.4Å; R268-D386 IonicContact NH2-OD2 3.25Å; R268-N427 WeakPolarHBondContact CD-O 3.46Å; R268-N427 PolarHBondContact NE-O 2.79Å; R268-N427 PolarHBondContact NH1-O 2.85Å; R268-N427 PolarHBondContact NH1-OD1 2.79Å; R268-N428 HydrophobicContact CB-CB 4.23Å
269I94.6Very high90.9Very high1 Ų156.8 Ų56.81%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-88.1123.7-178.5-54.5-62.6000110.3I216 Y218 L232 L240 V267 N427 N428I216-I269 HydrophobicContact CB-CD1 4.34Å; Y218-I269 HydrophobicContact CD2-CG2 4.49Å; L232-I269 HydrophobicContact CD2-CD1 3.91Å; L232-I269 HydrophobicContact CD2-CG1 4.06Å; L232-I269 HydrophobicContact CD2-CG2 4.28Å; L240-I269 HydrophobicContact CD2-CD1 4.43Å; L240-I269 HydrophobicContact CD2-CG1 4Å; V267-I269 HydrophobicContact CG1-CD1 3.99Å; I269-N427 PolarHBondContact N-ND2 3.23Å; I269-N428 WeakPolarHBondContact O-CB 3.5Å; I269-N428 PolarHBondContact O-ND2 3.26Å
270N91.5Very high91.2Very high32 Ų3255.7 Ų55.717%0.17128%0.276CS..EExtended strand (participates in β ladder)trans-101.4155173.8-64.3-3.6000110.2H215 I216 Y218 L272 N428H215-N270 PolarHBondContact ND1-OD1 3.27Å; I216-N270 PolarHBondContact O-N 3.36Å; Y218-N270 WeakPolarHBondContact CB-O 3.29Å; Y218-N270 PolarHBondContact N-O 3.41Å; N270-L272 PolarHBondContact O-N 3.11Å; N270-N428 PolarHBondContact OD1-ND2 3.35Å
271D87Confident91.4Very high62 Ų6245.5 Ų45.533%0.33224%0.238SC..  trans5543.1164.7-63.4-55.3000117.7R291D271-R291 IonicContact OD1-NH1 2.95Å
272L90.8Very high91.7Very high9 Ų947.5 Ų47.55%0.04724%0.24CC..  trans-60.8119.6170.1-172.274.1000110.6Y218 P233 N270 L274 L289 R291Y218-L272 HydrophobicContact CD1-CD1 4.44Å; Y218-L272 HydrophobicContact CD2-CD1 3.66Å; Y218-L272 HydrophobicContact CE1-CD1 4.48Å; Y218-L272 HydrophobicContact CE2-CD1 3.7Å; Y218-L272 HydrophobicContact CG-CD1 4.03Å; P233-L272 HydrophobicContact CG-CD1 4.3Å; N270-L272 PolarHBondContact O-N 3.11Å; L272-L274 PolarHBondContact O-N 3.35Å; L272-L289 HydrophobicContact CD1-CD2 4.43Å; L272-L289 HydrophobicContact CD2-CD2 4.49Å; L272-L289 HydrophobicContact CD2-CG 4.45Å; L272-R291 HydrophobicContact CB-CB 4.16Å; L272-R291 HydrophobicContact CD2-CB 4.13Å; L272-R291 WeakPolarHBondContact O-CD 3.44Å; L272-R291 PolarHBondContact O-NE 3.03Å; L272-R291 PolarHBondContact O-NH2 3.36Å
273P90.6Very high92.1Very high87 Ų8753.3 Ų53.357%0.56527%0.265SS*.SBendtrans-56.5-33.1-165.919.4-33.4000114.7Y218 R291Y218-P273 HydrophobicContact CD1-CG 4.08Å; Y218-P273 VanDerWaalsContact CE1-CD 3.48Å; Y218-P273 HydrophobicContact CE1-CG 3.83Å; P273-R291 PolarHBondContact O-NH2 2.94Å
274L91.9Very high92.4Very high105 Ų10555 Ų5555%0.5527%0.267SS..  trans-82.3122.7178.8-173.563.1000111.3L272 E276 R291L272-L274 PolarHBondContact O-N 3.35Å; L274-E276 HydrophobicContact CD2-CG 4.19Å; L274-E276 WeakPolarHBondContact CD2-OE1 3.49Å; L274-E276 HydrophobicContact CG-CG 4.1Å; L274-R291 WeakPolarHBondContact O-CB 3.48Å
275I91.9Very high92.7Very high79 Ų7951.1 Ų51.141%0.40525%0.254SS..  trans-105.3123168.4-59.3171.1000108.1R291I275-R291 VanDerWaalsContact CG1-CZ 3.41Å; I275-R291 VanDerWaalsContact CG1-NE 3.32Å
276E93.2Very high92.7Very high24 Ų2453.6 Ų53.611%0.11227%0.267CS..BIsolated β-bridgetrans-105.7141.2175.5-64.1-171.8-174.900111.6L274 L281 H285 R291 T292L274-E276 HydrophobicContact CD2-CG 4.19Å; L274-E276 WeakPolarHBondContact CD2-OE1 3.49Å; L274-E276 HydrophobicContact CG-CG 4.1Å; E276-L281 VanDerWaalsContact OE2-CD2 3.29Å; E276-L281 WeakPolarHBondContact OE2-CD2 3.42Å; E276-H285 IonicContact OE1-CD2 3.69Å; E276-H285 PolarHBondContact OE1-CD2 3.33Å; E276-H285 IonicContact OE1-NE2 3.64Å; E276-H285 PolarHBondContact OE1-NE2 3.42Å; E276-H285 IonicContact OE2-CD2 3.04Å; E276-H285 PolarHBondContact OE2-CD2 3.2Å; E276-H285 IonicContact OE2-CE1 3.31Å; E276-H285 IonicContact OE2-CG 2.83Å; E276-H285 IonicContact OE2-NE2 3.05Å; E276-H285 PolarHBondContact OE2-NE2 3.28Å; E276-R291 PolarHBondContact N-O 3.01Å; E276-T292 HydrophobicContact CB-CG2 4.24Å; E276-T292 WeakPolarHBondContact O-CA 3.49Å; E276-T292 WeakPolarHBondContact O-CG2 3.38Å
277D92.7Very high92.5Very high65 Ų6556 Ų5635%0.34828%0.28SS..  trans-82.2144.4170.5-64-40.6000110.1R279 C280 K369D277-R279 PolarHBondContact O-N 3.27Å; D277-C280 WeakPolarHBondContact O-CB 3.45Å; D277-C280 PolarHBondContact O-N 2.95Å; D277-K369 IonicContact OD1-NZ 3.89Å; D277-K369 PolarHBondContact OD1-NZ 3.13Å
278L92.9Very high92.4Very high3 Ų357.6 Ų57.62%0.01629%0.288CS..THydrogen-bonded Turntrans-54.6-28.8-178.8-82.478.2000113.3C280 C293 L363 E365 K379L278-C280 VanDerWaalsContact C-N 3.31Å; L278-C280 PolarHBondContact O-N 2.74Å; L278-C293 WeakPolarHBondContact CD1-O 3.16Å; L278-L363 HydrophobicContact CD1-CD2 4.06Å; L278-L363 HydrophobicContact CD1-CG 4.44Å; L278-L363 HydrophobicContact CD2-CB 4.27Å; L278-L363 HydrophobicContact CD2-CD2 4.23Å; L278-L363 HydrophobicContact CD2-CG 4.07Å; L278-L363 WeakPolarHBondContact CD2-O 3.28Å; L278-E365 HydrophobicContact CB-CG 3.82Å; L278-K379 HydrophobicContact CD2-CB 4.08Å; L278-K379 HydrophobicContact CD2-CG 4.23Å
279R92.6Very high92.5Very high37 Ų3757.4 Ų57.414%0.1429%0.288CS..THydrogen-bonded Turntrans-67.6-30.2177.4-165.4167.4-64.9-97.3-5.1113.7D277 L281 R282 E365 L375D277-R279 PolarHBondContact O-N 3.27Å; R279-L281 VanDerWaalsContact C-N 3.35Å; R279-R282 PolarHBondContact O-NH1 3.17Å; R279-R282 PolarHBondContact O-NH2 3.46Å; R279-E365 VanDerWaalsContact CB-OE1 3.26Å; R279-E365 WeakPolarHBondContact CB-OE1 3.4Å; R279-E365 IonicContact CZ-OE1 3.82Å; R279-E365 IonicContact CZ-OE2 3.56Å; R279-E365 PolarHBondContact N-OE1 3.46Å; R279-E365 IonicContact NE-OE1 3.5Å; R279-E365 IonicContact NE-OE2 3.41Å; R279-E365 PolarHBondContact NE-OE2 3.46Å; R279-E365 IonicContact NH2-OE1 3.54Å; R279-E365 IonicContact NH2-OE2 2.82Å; R279-E365 PolarHBondContact NH2-OE2 3.2Å; R279-L375 PolarHBondContact NH2-O 3.48Å
280C92.9Very high92.5Very high69 Ų6957.5 Ų57.547%0.46629%0.288SS..THydrogen-bonded Turntrans-84.1-14.1-172.3-65.50000112.3D277 L278 R282 H285D277-C280 WeakPolarHBondContact O-CB 3.45Å; D277-C280 PolarHBondContact O-N 2.95Å; L278-C280 VanDerWaalsContact C-N 3.31Å; L278-C280 PolarHBondContact O-N 2.74Å; C280-R282 WeakPolarHBondContact O-CG 3.35Å; C280-R282 PolarHBondContact O-N 2.88Å; C280-H285 PolarHBondContact O-CE1 3.3Å
281L93.7Very high92.7Very high7 Ų757 Ų574%0.03728%0.284CS..  trans-57.8125.2175.3-60.6178000111.5E276 R279 I290 T292 K379 Y403 I424E276-L281 VanDerWaalsContact OE2-CD2 3.29Å; E276-L281 WeakPolarHBondContact OE2-CD2 3.42Å; R279-L281 VanDerWaalsContact C-N 3.35Å; L281-I290 HydrophobicContact CD1-CD1 4.07Å; L281-I290 HydrophobicContact CD2-CD1 3.65Å; L281-I290 HydrophobicContact CD2-CG2 4.43Å; L281-T292 HydrophobicContact CD1-CG2 4.44Å; L281-T292 HydrophobicContact CD2-CG2 4.37Å; L281-K379 HydrophobicContact CD1-CG 4.41Å; L281-Y403 HydrophobicContact CB-CE2 4.5Å; L281-Y403 HydrophobicContact CD1-CD2 4.35Å; L281-Y403 HydrophobicContact CD1-CE2 4.18Å; L281-I424 HydrophobicContact CD1-CD1 4.28Å
282R93Very high93Very high126 Ų12654 Ų5448%0.47527%0.268SS..  trans-142.8176.8-174.8-69.1-64.1-179-81.7-10.6109.8R279 C280 F284 H285R279-R282 PolarHBondContact O-NH1 3.17Å; R279-R282 PolarHBondContact O-NH2 3.46Å; C280-R282 WeakPolarHBondContact O-CG 3.35Å; C280-R282 PolarHBondContact O-N 2.88Å; R282-F284 PolarHBondContact O-N 3.44Å; R282-F284 VanDerWaalsContact O-N 3.15Å; R282-H285 PolarHBondContact N-ND1 3.16Å; R282-H285 VanDerWaalsContact N-ND1 3.19Å; R282-H285 PolarHBondContact O-N 2.85Å; R282-H285 VanDerWaalsContact O-N 3.12Å; R282-H285 PolarHBondContact O-ND1 3.07Å
283H92.1Very high93.2Very high156 Ų15654.1 Ų54.172%0.72227%0.269SS*.G310 helixtrans-57.8-25.5179.467.1-88.4000114H285 L286H283-H285 VanDerWaalsContact C-N 3.26Å; H283-H285 PolarHBondContact O-N 3.47Å; H283-L286 HydrophobicContact CB-CD1 4.09Å; H283-L286 WeakPolarHBondContact O-CB 3.35Å; H283-L286 WeakPolarHBondContact O-CD1 3.16Å; H283-L286 VanDerWaalsContact O-CG 3.27Å; H283-L286 WeakPolarHBondContact O-CG 3.49Å; H283-L286 PolarHBondContact O-N 3.34Å
284F92.8Very high93.3Very high142 Ų14250 Ų5062%0.62324%0.242SC*.G310 helixtrans-61.1-33.7176.4-178.1-100.4000113.1R282 L286 Q288R282-F284 PolarHBondContact O-N 3.44Å; R282-F284 VanDerWaalsContact O-N 3.15Å; F284-L286 PolarHBondContact O-N 3.17Å; F284-Q288 PolarHBondContact O-OE1 3.15Å
285H93.4Very high93.5Very high26 Ų2646.2 Ų46.212%0.1222%0.224CC..G310 helixtrans-85.55.1-176.9-45.787000112.5E276 C280 R282 H283 N287 Q288 I290 Y403E276-H285 IonicContact OE1-CD2 3.69Å; E276-H285 PolarHBondContact OE1-CD2 3.33Å; E276-H285 IonicContact OE1-NE2 3.64Å; E276-H285 PolarHBondContact OE1-NE2 3.42Å; E276-H285 IonicContact OE2-CD2 3.04Å; E276-H285 PolarHBondContact OE2-CD2 3.2Å; E276-H285 IonicContact OE2-CE1 3.31Å; E276-H285 IonicContact OE2-CG 2.83Å; E276-H285 IonicContact OE2-NE2 3.05Å; E276-H285 PolarHBondContact OE2-NE2 3.28Å; C280-H285 PolarHBondContact O-CE1 3.3Å; R282-H285 PolarHBondContact N-ND1 3.16Å; R282-H285 VanDerWaalsContact N-ND1 3.19Å; R282-H285 PolarHBondContact O-N 2.85Å; R282-H285 VanDerWaalsContact O-N 3.12Å; R282-H285 PolarHBondContact O-ND1 3.07Å; H283-H285 VanDerWaalsContact C-N 3.26Å; H283-H285 PolarHBondContact O-N 3.47Å; H285-N287 PolarHBondContact O-N 3.24Å; H285-Q288 PolarHBondContact O-N 3.11Å; H285-I290 HydrophobicContact CB-CG2 4.14Å; H285-Y403 HydrophobicContact CB-CD1 4.21Å; H285-Y403 WeakPolarHBondContact O-CB 3.31Å
286L92.6Very high93.7Very high55 Ų5542.5 Ų42.529%0.28821%0.205SC..THydrogen-bonded Turntrans-64.9131.6-178-73.8171.3000110.3H283 F284 Q288 Y403 H405H283-L286 HydrophobicContact CB-CD1 4.09Å; H283-L286 WeakPolarHBondContact O-CB 3.35Å; H283-L286 WeakPolarHBondContact O-CD1 3.16Å; H283-L286 VanDerWaalsContact O-CG 3.27Å; H283-L286 WeakPolarHBondContact O-CG 3.49Å; H283-L286 PolarHBondContact O-N 3.34Å; F284-L286 PolarHBondContact O-N 3.17Å; L286-Q288 PolarHBondContact O-N 2.99Å; L286-Y403 HydrophobicContact CD2-CD1 3.82Å; L286-Y403 HydrophobicContact CD2-CE1 3.73Å; L286-Y403 HydrophobicContact CG-CD1 4.39Å; L286-Y403 HydrophobicContact CG-CE1 4.37Å; L286-H405 HydrophobicContact CD2-CB 4.01Å
287N92.3Very high93.8Very high79 Ų7944.1 Ų44.142%0.42222%0.216SC..THydrogen-bonded Turntrans62.611.7-178.3-52.3-33.4000115.2P236 H285 Y403P236-N287 WeakPolarHBondContact CD-O 3.31Å; P236-N287 WeakPolarHBondContact CG-O 3.26Å; H285-N287 PolarHBondContact O-N 3.24Å; N287-Y403 PolarHBondContact N-O 3Å
288Q93.6Very high94Very high33 Ų3343.8 Ų43.815%0.15422%0.219CC..SBendtrans-97.4159.2174.6-69.5-179.9-2000111.7P233 E234 F284 H285 L286 V402 Y403P233-Q288 VanDerWaalsContact O-CA 3.29Å; P233-Q288 WeakPolarHBondContact O-CA 3.42Å; P233-Q288 WeakPolarHBondContact O-CB 3.19Å; E234-Q288 PolarHBondContact OE2-NE2 2.83Å; F284-Q288 PolarHBondContact O-OE1 3.15Å; H285-Q288 PolarHBondContact O-N 3.11Å; L286-Q288 PolarHBondContact O-N 2.99Å; Q288-V402 WeakPolarHBondContact O-CA 3.32Å; Q288-Y403 PolarHBondContact O-N 2.7Å
289L95.4Very high94.1Very high9 Ų945.8 Ų45.85%0.04723%0.234CC..EExtended strand (participates in β ladder)trans-79.9121.6174.1-164.569.5000109.5L232 P233 P236 L272 T400 V402L232-L289 HydrophobicContact CD1-CD2 4.48Å; L232-L289 HydrophobicContact CD2-CD2 4.46Å; L232-L289 HydrophobicContact CG-CD2 4.12Å; P233-L289 PolarHBondContact O-N 3.18Å; P236-L289 HydrophobicContact CB-CB 4.01Å; P236-L289 HydrophobicContact CB-CD1 4.1Å; P236-L289 HydrophobicContact CG-CB 4.14Å; L272-L289 HydrophobicContact CD1-CD2 4.43Å; L272-L289 HydrophobicContact CD2-CD2 4.49Å; L272-L289 HydrophobicContact CD2-CG 4.45Å; L289-T400 HydrophobicContact CD1-CG2 4.14Å; L289-T400 HydrophobicContact CD2-CG2 4.26Å; L289-T400 HydrophobicContact CG-CG2 4.13Å; L289-V402 HydrophobicContact CD1-CG2 4.05Å
290I95.7Very high94.2Very high3 Ų346 Ų462%0.01524%0.241CC..EExtended strand (participates in β ladder)trans-118.9150.2179.259.1164.3000110.4L281 H285 T292 T400 G401 Y403 I424L281-I290 HydrophobicContact CD1-CD1 4.07Å; L281-I290 HydrophobicContact CD2-CD1 3.65Å; L281-I290 HydrophobicContact CD2-CG2 4.43Å; H285-I290 HydrophobicContact CB-CG2 4.14Å; I290-T292 HydrophobicContact CD1-CG2 3.84Å; I290-T292 HydrophobicContact CG1-CG2 4.42Å; I290-T400 CarbonylContact O-C 3.48Å; I290-T400 WeakPolarHBondContact O-CA 3.44Å; I290-G401 VanDerWaalsContact CG1-O 3.25Å; I290-G401 WeakPolarHBondContact CG1-O 3.48Å; I290-G401 PolarHBondContact N-O 3.36Å; I290-G401 PolarHBondContact O-N 3.33Å; I290-Y403 HydrophobicContact CD1-CD2 4.37Å; I290-Y403 HydrophobicContact CD1-CG 4.36Å; I290-I424 HydrophobicContact CD1-CD1 4.07Å; I290-I424 HydrophobicContact CD1-CG1 4.17Å; I290-I424 HydrophobicContact CD1-CG2 4.35Å
291R95.4Very high94.2Very high21 Ų2145.3 Ų45.38%0.07925%0.245CC..EExtended strand (participates in β ladder)trans-117.8121167.9-177.4173.280.3153.6-15.4108.6D271 L272 P273 L274 I275 E276 E398 L399D271-R291 IonicContact OD1-NH1 2.95Å; L272-R291 HydrophobicContact CB-CB 4.16Å; L272-R291 HydrophobicContact CD2-CB 4.13Å; L272-R291 WeakPolarHBondContact O-CD 3.44Å; L272-R291 PolarHBondContact O-NE 3.03Å; L272-R291 PolarHBondContact O-NH2 3.36Å; P273-R291 PolarHBondContact O-NH2 2.94Å; L274-R291 WeakPolarHBondContact O-CB 3.48Å; I275-R291 VanDerWaalsContact CG1-CZ 3.41Å; I275-R291 VanDerWaalsContact CG1-NE 3.32Å; E276-R291 PolarHBondContact N-O 3.01Å; R291-E398 WeakPolarHBondContact CD-OE1 3.03Å; R291-E398 HydrophobicContact CG-CG 4.04Å; R291-E398 IonicContact CZ-OE1 3.67Å; R291-E398 VanDerWaalsContact CZ-OE1 3.25Å; R291-E398 IonicContact NE-OE1 3.33Å; R291-E398 PolarHBondContact NE-OE1 2.98Å; R291-E398 IonicContact NH1-OE1 2.63Å; R291-E398 PolarHBondContact NH1-OE1 3.19Å; R291-L399 WeakPolarHBondContact CA-O 3.47Å
292T94.4Very high94.3Very high0 Ų047.7 Ų47.70%026%0.26CS..EExtended strand (participates in β ladder)trans-132.2148.5-175.760.40000111E276 L281 I290 L399E276-T292 HydrophobicContact CB-CG2 4.24Å; E276-T292 WeakPolarHBondContact O-CA 3.49Å; E276-T292 WeakPolarHBondContact O-CG2 3.38Å; L281-T292 HydrophobicContact CD1-CG2 4.44Å; L281-T292 HydrophobicContact CD2-CG2 4.37Å; I290-T292 HydrophobicContact CD1-CG2 3.84Å; I290-T292 HydrophobicContact CG1-CG2 4.42Å; T292-L399 PolarHBondContact N-O 2.83Å; T292-L399 PolarHBondContact O-N 2.89Å
293C93.5Very high94.4Very high10 Ų1046.4 Ų46.47%0.06826%0.261CS..EExtended strand (participates in β ladder)trans-113.8142.8176.3-52.50000110.8L278 I397L278-C293 WeakPolarHBondContact CD1-O 3.16Å; C293-I397 WeakPolarHBondContact CA-O 3.47Å
294G93.8Very high94.4Very high0 Ų043.5 Ų43.50%026%0.256CS..EExtended strand (participates in β ladder)trans-170.7-179.117500000113.3L363 Q364 I397G294-L363 VanDerWaalsContact C-CD1 3.42Å; G294-Q364 CarbonylContact C-O 3.5Å; G294-Q364 WeakPolarHBondContact CA-O 3.31Å; G294-I397 PolarHBondContact N-O 2.71Å; G294-I397 PolarHBondContact O-N 2.98Å
295V95.9Very high94.3Very high26 Ų2638.9 Ų38.916%0.15824%0.237CC..EExtended strand (participates in β ladder)trans-102.6133175.1-174.70000108.8T297 Q364 D395 E396V295-T297 PolarHBondContact O-N 2.95Å; V295-Q364 PolarHBondContact N-O 2.82Å; V295-Q364 PolarHBondContact O-N 2.77Å; V295-D395 WeakPolarHBondContact CA-O 3.29Å; V295-E396 HydrophobicContact CG2-CG 4.18Å
296V96.3Very high94.2Very high1 Ų140 Ų401%0.00624%0.243CC..EExtended strand (participates in β ladder)trans-74.9119.9174.3-177.80000108.8I361 L363 C391 P393 G394 D395 I397V296-I361 HydrophobicContact CG1-CB 4.34Å; V296-I361 HydrophobicContact CG2-CD1 4.45Å; V296-L363 HydrophobicContact CG2-CD1 4.37Å; V296-C391 HydrophobicContact CG2-CB 4.14Å; V296-P393 CarbonylContact O-C 3.39Å; V296-P393 WeakPolarHBondContact O-CA 3.34Å; V296-G394 PolarHBondContact O-N 3.25Å; V296-D395 PolarHBondContact N-O 3.11Å; V296-D395 VanDerWaalsContact N-O 3.07Å; V296-I397 HydrophobicContact CG2-CD1 3.55Å; V296-I397 HydrophobicContact CG2-CG1 3.87Å; V296-I397 HydrophobicContact CG2-CG2 4.05Å
297T95.9Very high94Very high58 Ų5837.7 Ų37.736%0.35623%0.232SC..EExtended strand (participates in β ladder)trans-94.7-35.9-178.553.50000112.7V295 T362 Q364V295-T297 PolarHBondContact O-N 2.95Å; T297-T362 PolarHBondContact N-O 2.81Å; T297-T362 PolarHBondContact OG1-O 3.12Å; T297-Q364 HydrophobicContact CG2-CB 3.48Å; T297-Q364 VanDerWaalsContact CG2-CB 3.48Å; T297-Q364 HydrophobicContact CG2-CG 4.3Å
298S95.5Very high93.9Very high58 Ų5835.1 Ų35.141%0.40622%0.219SC..EExtended strand (participates in β ladder)trans-149.2147.217864.50000109.8I361 T362S298-I361 WeakPolarHBondContact O-CA 3.26Å; S298-T362 PolarHBondContact O-N 3.41Å; S298-T362 PolarHBondContact OG-OG1 3.42Å
299S94.8Very high93.7Very high46 Ų4633.6 Ų33.632%0.32221%0.212SC..EExtended strand (participates in β ladder)trans-128.8134.1172.556.70000107.8P393S299-P393 WeakPolarHBondContact OG-CG 3.47Å
300S94.8Very high93.5Very high42 Ų4237.5 Ų37.529%0.29423%0.226SC..PPolyproline II helixtrans-70.7158.6164.852.60000110.1Q359 R360S300-Q359 WeakPolarHBondContact O-CG 2.92Å; S300-Q359 PolarHBondContact O-NE2 3.36Å; S300-R360 PolarHBondContact N-O 2.79Å; S300-R360 WeakPolarHBondContact OG-CA 3.22Å; S300-R360 PolarHBondContact OG-N 2.87Å; S300-R360 PolarHBondContact OG-O 3.31Å
301G94.5Very high93.3Very high53 Ų5338.4 Ų38.455%0.54623%0.229SC..PPolyproline II helixtrans-63.9163.2166.600000111.1L303G301-L303 PolarHBondContact O-N 3.33Å
302V95.5Very high93.1Very high58 Ų5839.8 Ų39.835%0.35224%0.239SC..PPolyproline II helixtrans-69.2122.5176-177.10000109.8N357 V388 D389V302-N357 HydrophobicContact CG1-CB 4.23Å; V302-V388 HydrophobicContact CB-CG1 3.95Å; V302-V388 HydrophobicContact CG1-CG1 3.67Å; V302-V388 HydrophobicContact CG2-CG1 3.21Å; V302-D389 VanDerWaalsContact CG2-OD2 3.31Å; V302-D389 WeakPolarHBondContact CG2-OD2 3.49Å
303L94Very high93Very high98 Ų9839.9 Ų39.951%0.51324%0.239SC..EExtended strand (participates in β ladder)trans-120.1139.8179.1-61.8174.6000110G301 Y358G301-L303 PolarHBondContact O-N 3.33Å; L303-Y358 PolarHBondContact N-O 3.48Å; L303-Y358 WeakPolarHBondContact O-CA 3.49Å; L303-Y358 WeakPolarHBondContact O-CB 3.41Å; L303-Y358 PolarHBondContact O-N 3.4Å
304P92.8Very high92.9Very high95 Ų9542.5 Ų42.562%0.61726%0.255SS*.EExtended strand (participates in β ladder)trans-75.8127171.629.9-32.4000110.2Y355 R356P304-Y355 HydrophobicContact CB-CD1 4.27Å; P304-R356 CarbonylContact C-O 3.58Å
305Q90.8Very high92.7Very high46 Ų4649 Ų4922%0.21528%0.283CS..EExtended strand (participates in β ladder)trans-109.3143.2173.9-173.6-176.952.400110S307 Y355 R356 Y358Q305-S307 PolarHBondContact O-N 2.75Å; Q305-Y355 CarbonylContact O-C 3.56Å; Q305-Y355 VanDerWaalsContact O-CA 3.3Å; Q305-Y355 WeakPolarHBondContact O-CA 3.5Å; Q305-R356 HydrophobicContact CB-CG 4.19Å; Q305-R356 PolarHBondContact N-O 3.49Å; Q305-R356 PolarHBondContact O-N 2.91Å; Q305-Y358 HydrophobicContact CB-CG 4.37Å
306L90.4Very high92.4Very high48 Ų4850.7 Ų50.725%0.25130%0.295SS..EExtended strand (participates in β ladder)trans-64.8128.8171.9-65.4169.7000110.7V309 L348 T353 Y355L306-V309 HydrophobicContact CB-CG2 3.67Å; L306-V309 HydrophobicContact CD1-CG2 3.97Å; L306-V309 HydrophobicContact CD2-CG2 4.37Å; L306-V309 HydrophobicContact CG-CG2 4.22Å; L306-L348 HydrophobicContact CD1-CD1 4.33Å; L306-L348 HydrophobicContact CD1-CD2 4.15Å; L306-L348 HydrophobicContact CD2-CD2 4.22Å; L306-T353 HydrophobicContact CD2-CG2 4.43Å; L306-Y355 HydrophobicContact CD2-CD1 3.85Å; L306-Y355 HydrophobicContact CD2-CE1 3.36Å; L306-Y355 HydrophobicContact CG-CE1 4.27Å
307S88.3Confident92Very high7 Ų753.4 Ų53.45%0.04932%0.323CS..EExtended strand (participates in β ladder)trans-106.3-54.5174.8680000111.4Q305 Q325 V354Q305-S307 PolarHBondContact O-N 2.75Å; S307-Q325 PolarHBondContact O-N 3.17Å; S307-V354 PolarHBondContact N-O 3.15Å; S307-V354 WeakPolarHBondContact OG-CG1 2.94Å; S307-V354 PolarHBondContact OG-O 3.34Å
308V89.8Confident91.7Very high25 Ų2551.1 Ų51.115%0.15231%0.309CS..EExtended strand (participates in β ladder)trans-118.7116.9174.2-177.30000108.2P322 T353 V354V308-P322 HydrophobicContact CG1-CB 3.52Å; V308-T353 CarbonylContact O-C 3.47Å; V308-T353 VanDerWaalsContact O-CA 3.31Å; V308-T353 WeakPolarHBondContact O-CA 3.42Å; V308-V354 HydrophobicContact CB-CB 4.13Å; V308-V354 HydrophobicContact CB-CG2 4.29Å; V308-V354 PolarHBondContact N-O 3.16Å; V308-V354 PolarHBondContact O-N 2.8Å
309V90.3Very high91.4Very high1 Ų152.6 Ų52.61%0.00631%0.313CS..EExtended strand (participates in β ladder)trans-103.7133.1-175.1-177.30000110.4L306 Y311 F323 Q325 L348 T353L306-V309 HydrophobicContact CB-CG2 3.67Å; L306-V309 HydrophobicContact CD1-CG2 3.97Å; L306-V309 HydrophobicContact CD2-CG2 4.37Å; L306-V309 HydrophobicContact CG-CG2 4.22Å; V309-Y311 HydrophobicContact CB-CE2 4.27Å; V309-Y311 HydrophobicContact CG1-CD2 3.85Å; V309-Y311 HydrophobicContact CG1-CE1 4.08Å; V309-Y311 HydrophobicContact CG1-CE2 3.33Å; V309-Y311 HydrophobicContact CG1-CG 4.43Å; V309-Y311 VanDerWaalsContact CG1-CZ 3.47Å; V309-F323 PolarHBondContact N-O 3.4Å; V309-F323 PolarHBondContact O-N 2.95Å; V309-Q325 HydrophobicContact CG2-CB 4.46Å; V309-L348 HydrophobicContact CG1-CD1 3.35Å; V309-T353 HydrophobicContact CG1-CG2 4.34Å
310R91.5Very high91.1Very high91 Ų9150.8 Ų50.834%0.34330%0.299SS..EExtended strand (participates in β ladder)trans-119.6142.4166.1-68.5-170-179.1178.3-0.9109.5L320 S349 Q352R310-L320 CarbonylContact C-O 3.39Å; R310-L320 VanDerWaalsContact CA-O 3.25Å; R310-L320 WeakPolarHBondContact CA-O 3.45Å; R310-S349 PolarHBondContact O-N 3.4Å; R310-Q352 HydrophobicContact CB-CB 4.49Å; R310-Q352 VanDerWaalsContact CD-OE1 3.23Å
311Y91.2Very high90.5Very high22 Ų2250.6 Ų50.69%0.08630%0.304CS..EExtended strand (participates in β ladder)trans-118.8146.1179.4-65.5-85.7000110.7V309 L320 F323 V332 P334 F346 E347 L348V309-Y311 HydrophobicContact CB-CE2 4.27Å; V309-Y311 HydrophobicContact CG1-CD2 3.85Å; V309-Y311 HydrophobicContact CG1-CE1 4.08Å; V309-Y311 HydrophobicContact CG1-CE2 3.33Å; V309-Y311 HydrophobicContact CG1-CG 4.43Å; V309-Y311 VanDerWaalsContact CG1-CZ 3.47Å; Y311-L320 PolarHBondContact N-O 2.73Å; Y311-L320 WeakPolarHBondContact O-CA 3.48Å; Y311-L320 WeakPolarHBondContact O-CB 3.41Å; Y311-L320 PolarHBondContact O-N 3.44Å; Y311-F323 AromaticContact CD2-CD2 3.78Å; Y311-F323 HydrophobicContact CD2-CD2 3.78Å; Y311-F323 HydrophobicContact CD2-CE2 4.05Å; Y311-F323 AromaticContact CE2-CD2 3.99Å; Y311-F323 HydrophobicContact CE2-CD2 3.99Å; Y311-V332 WeakPolarHBondContact CE2-O 3.23Å; Y311-V332 PolarHBondContact OH-O 2.63Å; Y311-P334 HydrophobicContact CD2-CG 3.71Å; Y311-P334 HydrophobicContact CE2-CG 4.27Å; Y311-P334 HydrophobicContact CG-CG 4.04Å; Y311-F346 HydrophobicContact CD1-CB 4.34Å; Y311-F346 HydrophobicContact CG-CB 4.45Å; Y311-E347 CarbonylContact C-O 3.54Å; Y311-E347 WeakPolarHBondContact CA-O 3.38Å; Y311-L348 HydrophobicContact CD1-CD1 4.49Å; Y311-L348 HydrophobicContact CE1-CD1 4.21Å
312N91.8Very high90.2Very high51 Ų5152 Ų5227%0.27330%0.303SS..EExtended strand (participates in β ladder)trans-96.5128.5170.1-66.6-22.7000109T314 C318 L319 F346 E347N312-T314 PolarHBondContact O-N 3.18Å; N312-C318 WeakPolarHBondContact CA-O 3.39Å; N312-L319 WeakPolarHBondContact OD1-CD2 3.48Å; N312-F346 WeakPolarHBondContact O-CA 3.4Å; N312-E347 PolarHBondContact N-O 3.16Å; N312-E347 PolarHBondContact O-N 3.32Å
313C92.2Very high89.9Confident2 Ų252 Ų521%0.01430%0.299CS..EExtended strand (participates in β ladder)trans-76.5123168.5-176.20000110.3K315 G317 C318 L320 C337 C340 F346C313-K315 PolarHBondContact O-N 2.93Å; C313-G317 WeakPolarHBondContact O-CA 3.3Å; C313-G317 PolarHBondContact O-N 2.93Å; C313-C318 HydrophobicContact CB-CB 4.36Å; C313-C318 WeakPolarHBondContact CB-SG 3.37Å; C313-C318 PolarHBondContact N-O 3.33Å; C313-L320 HydrophobicContact CB-CD1 4.44Å; C313-C337 HydrophobicContact CB-CB 4.05Å; C313-C340 VanDerWaalsContact SG-SG 3.69Å; C313-F346 HydrophobicContact CB-CD1 4.15Å; C313-F346 HydrophobicContact CB-CE1 4.24Å
314T90.7Very high89.5Confident64 Ų6453.1 Ų53.139%0.39330%0.304SS..THydrogen-bonded Turntrans-65.4-21.9179.954.60000114.1N312 P345 E347N312-T314 PolarHBondContact O-N 3.18Å; T314-P345 HydrophobicContact CG2-CG 4.24Å; T314-P345 WeakPolarHBondContact CG2-O 3.46Å; T314-P345 PolarHBondContact N-O 3.03Å; T314-P345 WeakPolarHBondContact OG1-CD 3.46Å; T314-P345 WeakPolarHBondContact OG1-CG 3.17Å; T314-P345 PolarHBondContact OG1-O 3.05Å; T314-E347 HydrophobicContact CG2-CG 3.84Å
315K89.3Confident88.9Confident138 Ų13850 Ų5060%0.628%0.281SS*.THydrogen-bonded Turntrans-85.7-43.2-175.9-58.7-163.9-167.3-179.90113.8C313 S342 G344C313-K315 PolarHBondContact O-N 2.93Å; K315-S342 WeakPolarHBondContact CD-OG 3.48Å; K315-G344 VanDerWaalsContact CE-O 3.23Å; K315-G344 WeakPolarHBondContact CE-O 3.03Å
316C90.5Very high88.2Confident61 Ų6152.3 Ų52.341%0.41230%0.295SS..THydrogen-bonded Turntrans-114.2-8.6-177.456.30000113.9C318 C337 C340C316-C318 PolarHBondContact O-N 2.88Å; C316-C318 WeakPolarHBondContact SG-CB 3.46Å; C316-C318 PolarHBondContact SG-SG 2.77Å; C316-C337 PolarHBondContact SG-SG 2.94Å; C316-C340 HydrophobicContact CB-CB 4.11Å
317G86.9Confident87.1Confident57 Ų5752.1 Ų52.159%0.58829%0.293SS*.  trans73.48.4-173.300000114.2C313C313-G317 WeakPolarHBondContact O-CA 3.3Å; C313-G317 PolarHBondContact O-N 2.93Å
318C89.2Confident85.7Confident10 Ų1054.2 Ų54.27%0.06831%0.305CS..PPolyproline II helixtrans-60.1134.8178.7770000110.7N312 C313 C316 L320 C337 D339N312-C318 WeakPolarHBondContact CA-O 3.39Å; C313-C318 HydrophobicContact CB-CB 4.36Å; C313-C318 WeakPolarHBondContact CB-SG 3.37Å; C313-C318 PolarHBondContact N-O 3.33Å; C316-C318 PolarHBondContact O-N 2.88Å; C316-C318 WeakPolarHBondContact SG-CB 3.46Å; C316-C318 PolarHBondContact SG-SG 2.77Å; C318-L320 WeakPolarHBondContact SG-CD2 2.99Å; C318-C337 WeakPolarHBondContact CB-SG 3.3Å; C318-C337 WeakPolarHBondContact SG-CB 3.47Å; C318-C337 CovalentContact SG-SG 2.11Å; C318-C337 PolarHBondContact SG-SG 3.13Å; C318-D339 HydrophobicContact CB-CB 4.29Å; C318-D339 WeakPolarHBondContact CB-OD2 3.45Å
319L89.8Confident84.3Confident90 Ų9055.3 Ų55.347%0.47132%0.321SS..EExtended strand (participates in β ladder)trans-81.8116.2167.5-82.7163.2000109N312N312-L319 WeakPolarHBondContact OD1-CD2 3.48Å
320L89.4Confident83Confident7 Ų760.4 Ų60.44%0.03736%0.357CS..EExtended strand (participates in β ladder)trans-97.2145.1177.7-58177.8000111.1R310 Y311 C313 C318 F323 P334 C337 P338 F346R310-L320 CarbonylContact C-O 3.39Å; R310-L320 VanDerWaalsContact CA-O 3.25Å; R310-L320 WeakPolarHBondContact CA-O 3.45Å; Y311-L320 PolarHBondContact N-O 2.73Å; Y311-L320 WeakPolarHBondContact O-CA 3.48Å; Y311-L320 WeakPolarHBondContact O-CB 3.41Å; Y311-L320 PolarHBondContact O-N 3.44Å; C313-L320 HydrophobicContact CB-CD1 4.44Å; C318-L320 WeakPolarHBondContact SG-CD2 2.99Å; L320-F323 HydrophobicContact CB-CE2 4.17Å; L320-P334 HydrophobicContact CD1-CB 4.05Å; L320-P334 HydrophobicContact CD1-CG 3.8Å; L320-C337 HydrophobicContact CD1-CB 4.18Å; L320-C337 HydrophobicContact CD2-CB 3.81Å; L320-P338 HydrophobicContact CD2-CG 4.17Å; L320-F346 HydrophobicContact CD1-CD1 3.25Å; L320-F346 HydrophobicContact CD1-CE1 3.35Å; L320-F346 HydrophobicContact CD1-CG 4.01Å; L320-F346 HydrophobicContact CD1-CZ 4.16Å
321G82.8Confident82Confident38 Ų3862.3 Ų62.339%0.39237%0.37SS..EExtended strand (participates in β ladder)trans110-171.1178.500000111.7
322P87.9Confident81.4Confident83 Ų8363.8 Ų63.854%0.53938%0.381SS..EExtended strand (participates in β ladder)cis-77.9139.31530.2-34.9000114.6V308V308-P322 HydrophobicContact CG1-CB 3.52Å
323F88Confident80.9Confident59 Ų5967.7 Ų67.726%0.25940%0.396SS..EExtended strand (participates in β ladder)trans-108.8126.9169.2-61.2-74000110V309 Y311 L320 V332 P334V309-F323 PolarHBondContact N-O 3.4Å; V309-F323 PolarHBondContact O-N 2.95Å; Y311-F323 AromaticContact CD2-CD2 3.78Å; Y311-F323 HydrophobicContact CD2-CD2 3.78Å; Y311-F323 HydrophobicContact CD2-CE2 4.05Å; Y311-F323 AromaticContact CE2-CD2 3.99Å; Y311-F323 HydrophobicContact CE2-CD2 3.99Å; L320-F323 HydrophobicContact CB-CE2 4.17Å; F323-V332 HydrophobicContact CB-CG1 3.95Å; F323-V332 HydrophobicContact CD1-CG1 3.98Å; F323-V332 HydrophobicContact CG-CG1 4.15Å; F323-P334 HydrophobicContact CE2-CB 3.82Å; F323-P334 HydrophobicContact CE2-CG 3.94Å; F323-P334 HydrophobicContact CZ-CB 3.68Å; F323-P334 HydrophobicContact CZ-CG 4.32Å
324I86.1Confident80.5Confident121 Ų12168.3 Ų68.362%0.62140%0.399SS*.EExtended strand (participates in β ladder)trans-86.8124.6177.3-58.7170.6000108.4N326I324-N326 PolarHBondContact O-N 2.79Å
325Q80.5Confident80.3Confident29 Ų2969.9 Ų69.914%0.13641%0.413CS..  trans-89.3109178-173.562.346.400110.4S307 V309 G329 S330 R356S307-Q325 PolarHBondContact O-N 3.17Å; V309-Q325 HydrophobicContact CG2-CB 4.46Å; Q325-G329 PolarHBondContact NE2-O 2.98Å; Q325-S330 PolarHBondContact NE2-O 3.49Å; Q325-R356 PolarHBondContact O-NH2 2.97Å
326N75.1Confident80.3Confident95 Ų9566.9 Ų66.951%0.50841%0.406SS..  trans-80.5151.6171.7-68.1-15.2000110.6I324 T328I324-N326 PolarHBondContact O-N 2.79Å; N326-T328 VanDerWaalsContact C-N 3.34Å
327Q67Low80.3Confident44 Ų4464 Ų6421%0.20639%0.387CS..SBendtrans-79-21.5-178.6-67.7171.137.900112.8G329 R356Q327-G329 PolarHBondContact O-N 3.03Å; Q327-R356 VanDerWaalsContact CG-NH2 3.33Å; Q327-R356 VanDerWaalsContact NE2-CZ 3.32Å; Q327-R356 VanDerWaalsContact NE2-NH2 3.16Å
328T60.1Low80.4Confident51 Ų5165.8 Ų65.831%0.31339%0.388SS..SBendtrans-83.8-9.7-167.2-33.50000113.6N326 H405N326-T328 VanDerWaalsContact C-N 3.34Å; T328-H405 WeakPolarHBondContact CG2-O 3.47Å
329G59.2Low80.4Confident47 Ų4771.2 Ų71.249%0.48542%0.417SS..SBendtrans-159.2164.7-171.300000114.2Q325 Q327Q325-G329 PolarHBondContact NE2-O 2.98Å; Q327-G329 PolarHBondContact O-N 3.03Å
330S63.5Low80.4Confident109 Ų10969.2 Ų69.276%0.76241%0.41SS*.SBendtrans-35.6151.8-173.655.10000116.3Q325 V332Q325-S330 PolarHBondContact NE2-O 3.49Å; S330-V332 PolarHBondContact O-N 3.2Å; S330-V332 VanDerWaalsContact O-N 3.13Å
331E71.8Confident80.3Confident131 Ų13176.7 Ų76.761%0.61244%0.444SS*.  trans-44.8118.9170.4-64.3176.7177.500111.3K333E331-K333 PolarHBondContact O-N 2.63Å; E331-K333 VanDerWaalsContact O-N 3.15Å; E331-K333 WeakPolarHBondContact OE2-CE 2.8Å; E331-K333 IonicContact OE2-NZ 3.89Å; E331-K333 PolarHBondContact OE2-NZ 3.26Å
332V78.5Confident80.5Confident52 Ų5275.5 Ų75.532%0.31543%0.43SS..  trans-76.7104.9177.4-178.30000107.6Y311 F323 S330Y311-V332 WeakPolarHBondContact CE2-O 3.23Å; Y311-V332 PolarHBondContact OH-O 2.63Å; F323-V332 HydrophobicContact CB-CG1 3.95Å; F323-V332 HydrophobicContact CD1-CG1 3.98Å; F323-V332 HydrophobicContact CG-CG1 4.15Å; S330-V332 PolarHBondContact O-N 3.2Å; S330-V332 VanDerWaalsContact O-N 3.13Å
333K80.3Confident80.5Confident134 Ų13474.6 Ų74.658%0.58344%0.436SS*.  trans-110.2132.7174.2-69.2177.3-177.7163.90109.4E331 S335E331-K333 PolarHBondContact O-N 2.63Å; E331-K333 VanDerWaalsContact O-N 3.15Å; E331-K333 WeakPolarHBondContact OE2-CE 2.8Å; E331-K333 IonicContact OE2-NZ 3.89Å; E331-K333 PolarHBondContact OE2-NZ 3.26Å; K333-S335 PolarHBondContact O-N 3.07Å
334P84.1Confident80.1Confident14 Ų1472.5 Ų72.59%0.09143%0.431CS..  trans-59.3138.1171.421.7-29.6000109.5Y311 L320 F323 F346Y311-P334 HydrophobicContact CD2-CG 3.71Å; Y311-P334 HydrophobicContact CE2-CG 4.27Å; Y311-P334 HydrophobicContact CG-CG 4.04Å; L320-P334 HydrophobicContact CD1-CB 4.05Å; L320-P334 HydrophobicContact CD1-CG 3.8Å; F323-P334 HydrophobicContact CE2-CB 3.82Å; F323-P334 HydrophobicContact CE2-CG 3.94Å; F323-P334 HydrophobicContact CZ-CB 3.68Å; F323-P334 HydrophobicContact CZ-CG 4.32Å; P334-F346 HydrophobicContact CB-CD2 4.39Å; P334-F346 HydrophobicContact CB-CE2 4.31Å; P334-F346 HydrophobicContact CG-CB 4.3Å; P334-F346 HydrophobicContact CG-CD1 4.46Å; P334-F346 HydrophobicContact CG-CD2 3.75Å; P334-F346 HydrophobicContact CG-CE2 4.16Å; P334-F346 HydrophobicContact CG-CG 3.91Å; P334-F346 VanDerWaalsContact O-CD2 3.32Å; P334-F346 WeakPolarHBondContact O-CD2 3.46Å; P334-F346 WeakPolarHBondContact O-CE2 3.33Å
335S86.5Confident80.2Confident98 Ų9871 Ų7169%0.68543%0.429SS*.SBendtrans-83-33.9175.150.70000112.3K333 G343K333-S335 PolarHBondContact O-N 3.07Å; S335-G343 VanDerWaalsContact O-CA 3.28Å; S335-G343 WeakPolarHBondContact O-CA 3.41Å
336T90.1Very high80.6Confident74 Ų7471.7 Ų71.745%0.45443%0.432SS..SBendtrans-146136.5-172.7-530000110.6S342T336-S342 WeakPolarHBondContact CA-O 3.17Å
337C89.8Confident81.4Confident0 Ų073.2 Ų73.20%044%0.436CS..  trans-76.1132.6167.9168.10000109.3C313 C316 C318 L320 D339 Q341 S342 F346C313-C337 HydrophobicContact CB-CB 4.05Å; C316-C337 PolarHBondContact SG-SG 2.94Å; C318-C337 WeakPolarHBondContact CB-SG 3.3Å; C318-C337 WeakPolarHBondContact SG-CB 3.47Å; C318-C337 CovalentContact SG-SG 2.11Å; C318-C337 PolarHBondContact SG-SG 3.13Å; L320-C337 HydrophobicContact CD1-CB 4.18Å; L320-C337 HydrophobicContact CD2-CB 3.81Å; C337-D339 VanDerWaalsContact C-N 3.29Å; C337-D339 PolarHBondContact O-N 3.45Å; C337-D339 PolarHBondContact SG-N 2.9Å; C337-D339 VanDerWaalsContact SG-N 3.41Å; C337-Q341 WeakPolarHBondContact O-CA 3.16Å; C337-Q341 PolarHBondContact O-N 3.3Å; C337-S342 PolarHBondContact N-O 3.42Å; C337-F346 HydrophobicContact CB-CE1 3.99Å
338P88.9Confident82.5Confident96 Ų9674 Ų7462%0.62344%0.441SS*.THydrogen-bonded Turntrans-64.2-32.8179.726.5-31.6000112.4L320L320-P338 HydrophobicContact CD2-CG 4.17Å
339D88.8Confident83.9Confident124 Ų12472 Ų7266%0.66343%0.429SS*.THydrogen-bonded Turntrans-77.9-43.8-174.1-59.7-24.4000113.4C318 C337C318-D339 HydrophobicContact CB-CB 4.29Å; C318-D339 WeakPolarHBondContact CB-OD2 3.45Å; C337-D339 VanDerWaalsContact C-N 3.29Å; C337-D339 PolarHBondContact O-N 3.45Å; C337-D339 PolarHBondContact SG-N 2.9Å; C337-D339 VanDerWaalsContact SG-N 3.41Å
340C89.5Confident85.2Confident48 Ų4875.6 Ų75.632%0.32444%0.435SS..THydrogen-bonded Turntrans-107-1.4-176.765.40000113.9C313 C316 S342C313-C340 VanDerWaalsContact SG-SG 3.69Å; C316-C340 HydrophobicContact CB-CB 4.11Å; C340-S342 PolarHBondContact O-N 3.24Å; C340-S342 PolarHBondContact SG-OG 2.93Å
341Q88Confident86.5Confident163 Ų16379.2 Ų79.276%0.76244%0.44SS*.  trans52.222.1-176.6-59.7179.81.600114C337C337-Q341 WeakPolarHBondContact O-CA 3.16Å; C337-Q341 PolarHBondContact O-N 3.3Å
342S87.7Confident87.3Confident14 Ų1476.3 Ų76.310%0.09843%0.426CS..  trans-90.2140.8-178.181.60000111.5K315 T336 C337 C340 G344 F346K315-S342 WeakPolarHBondContact CD-OG 3.48Å; T336-S342 WeakPolarHBondContact CA-O 3.17Å; C337-S342 PolarHBondContact N-O 3.42Å; C340-S342 PolarHBondContact O-N 3.24Å; C340-S342 PolarHBondContact SG-OG 2.93Å; S342-G344 PolarHBondContact O-N 2.67Å; S342-F346 WeakPolarHBondContact O-CZ 3.25Å
343G85.9Confident87.7Confident63 Ų6374.3 Ų74.365%0.64941%0.414SS*.  trans-82.429.1-178.700000115.7S335S335-G343 VanDerWaalsContact O-CA 3.28Å; S335-G343 WeakPolarHBondContact O-CA 3.41Å
344G81.5Confident88.2Confident15 Ų1571.5 Ų71.516%0.15541%0.408CS..  trans104.2177.2-179.600000114.7K315 S342 F346K315-G344 VanDerWaalsContact CE-O 3.23Å; K315-G344 WeakPolarHBondContact CE-O 3.03Å; S342-G344 PolarHBondContact O-N 2.67Å; G344-F346 VanDerWaalsContact N-CZ 3.34Å
345P87.2Confident88.5Confident90 Ų9075.3 Ų75.358%0.58442%0.421SS*.  cis-79.9150.610.529.7-31.4000114.3T314T314-P345 HydrophobicContact CG2-CG 4.24Å; T314-P345 WeakPolarHBondContact CG2-O 3.46Å; T314-P345 PolarHBondContact N-O 3.03Å; T314-P345 WeakPolarHBondContact OG1-CD 3.46Å; T314-P345 WeakPolarHBondContact OG1-CG 3.17Å; T314-P345 PolarHBondContact OG1-O 3.05Å
346F89.8Confident88.8Confident44 Ų4472.5 Ų72.519%0.19340%0.396CS..EExtended strand (participates in β ladder)trans-115.2133.4178.1-52.5-65.6000109.8Y311 N312 C313 L320 P334 C337 S342 G344Y311-F346 HydrophobicContact CD1-CB 4.34Å; Y311-F346 HydrophobicContact CG-CB 4.45Å; N312-F346 WeakPolarHBondContact O-CA 3.4Å; C313-F346 HydrophobicContact CB-CD1 4.15Å; C313-F346 HydrophobicContact CB-CE1 4.24Å; L320-F346 HydrophobicContact CD1-CD1 3.25Å; L320-F346 HydrophobicContact CD1-CE1 3.35Å; L320-F346 HydrophobicContact CD1-CG 4.01Å; L320-F346 HydrophobicContact CD1-CZ 4.16Å; P334-F346 HydrophobicContact CB-CD2 4.39Å; P334-F346 HydrophobicContact CB-CE2 4.31Å; P334-F346 HydrophobicContact CG-CB 4.3Å; P334-F346 HydrophobicContact CG-CD1 4.46Å; P334-F346 HydrophobicContact CG-CD2 3.75Å; P334-F346 HydrophobicContact CG-CE2 4.16Å; P334-F346 HydrophobicContact CG-CG 3.91Å; P334-F346 VanDerWaalsContact O-CD2 3.32Å; P334-F346 WeakPolarHBondContact O-CD2 3.46Å; P334-F346 WeakPolarHBondContact O-CE2 3.33Å; C337-F346 HydrophobicContact CB-CE1 3.99Å; S342-F346 WeakPolarHBondContact O-CZ 3.25Å; G344-F346 VanDerWaalsContact N-CZ 3.34Å
347E90.4Very high89Confident126 Ų12672.8 Ų72.859%0.58939%0.394SS*.EExtended strand (participates in β ladder)trans-105.1147.7177.9-70.1-177.6173.700110.6Y311 N312 T314Y311-E347 CarbonylContact C-O 3.54Å; Y311-E347 WeakPolarHBondContact CA-O 3.38Å; N312-E347 PolarHBondContact N-O 3.16Å; N312-E347 PolarHBondContact O-N 3.32Å; T314-E347 HydrophobicContact CG2-CG 3.84Å
348L90.3Very high89.2Confident61 Ų6174.8 Ų74.832%0.31940%0.402SS..EExtended strand (participates in β ladder)trans-73.5128178.6-177.670.5000110.4L306 V309 Y311 M350 T353L306-L348 HydrophobicContact CD1-CD1 4.33Å; L306-L348 HydrophobicContact CD1-CD2 4.15Å; L306-L348 HydrophobicContact CD2-CD2 4.22Å; V309-L348 HydrophobicContact CG1-CD1 3.35Å; Y311-L348 HydrophobicContact CD1-CD1 4.49Å; Y311-L348 HydrophobicContact CE1-CD1 4.21Å; L348-M350 HydrophobicContact CD2-SD 3.78Å; L348-M350 HydrophobicContact CG-SD 4.28Å; L348-M350 PolarHBondContact O-N 3.24Å; L348-T353 HydrophobicContact CD1-CG2 3.56Å; L348-T353 HydrophobicContact CG-CG2 4.07Å
349S89.1Confident89.5Confident9 Ų970.3 Ų70.36%0.06337%0.373CS..  trans-87.495.6177.1-1720000111.1R310 E351 Q352 T353R310-S349 PolarHBondContact O-N 3.4Å; S349-E351 PolarHBondContact O-N 3.15Å; S349-Q352 PolarHBondContact O-N 3.04Å; S349-T353 WeakPolarHBondContact O-CG2 3.31Å; S349-T353 PolarHBondContact O-N 3.3Å; S349-T353 PolarHBondContact O-OG1 3.41Å
350M88.5Confident89.8Confident123 Ų12369.8 Ų69.861%0.60636%0.362SS*.THydrogen-bonded Turntrans-61.5-27.9-173.7-58.5-67.8-82.600114.1L348 T353 Y355L348-M350 HydrophobicContact CD2-SD 3.78Å; L348-M350 HydrophobicContact CG-SD 4.28Å; L348-M350 PolarHBondContact O-N 3.24Å; M350-T353 PolarHBondContact O-OG1 2.91Å; M350-Y355 WeakPolarHBondContact CE-OH 3.24Å; M350-Y355 PolarHBondContact SD-OH 3.47Å
351E89Confident90.1Very high185 Ų18567.6 Ų67.686%0.86435%0.346SS*.THydrogen-bonded Turntrans-77.2-32.3-175.5-64.3-179.717500113.3S349S349-E351 PolarHBondContact O-N 3.15Å
352Q88.5Confident90.6Very high70 Ų7061 Ų6133%0.32732%0.318SS..THydrogen-bonded Turntrans-108.6-5.3-174.3-56.3-173.3-5.500113.1R310 S349R310-Q352 HydrophobicContact CB-CB 4.49Å; R310-Q352 VanDerWaalsContact CD-OE1 3.23Å; S349-Q352 PolarHBondContact O-N 3.04Å
353T88.3Confident91Very high9 Ų960.4 Ų60.46%0.05531%0.313CS..PPolyproline II helixtrans-74.2131.8172.650.50000110.3L306 V308 V309 L348 S349 M350 Y355L306-T353 HydrophobicContact CD2-CG2 4.43Å; V308-T353 CarbonylContact O-C 3.47Å; V308-T353 VanDerWaalsContact O-CA 3.31Å; V308-T353 WeakPolarHBondContact O-CA 3.42Å; V309-T353 HydrophobicContact CG1-CG2 4.34Å; L348-T353 HydrophobicContact CD1-CG2 3.56Å; L348-T353 HydrophobicContact CG-CG2 4.07Å; S349-T353 WeakPolarHBondContact O-CG2 3.31Å; S349-T353 PolarHBondContact O-N 3.3Å; S349-T353 PolarHBondContact O-OG1 3.41Å; M350-T353 PolarHBondContact O-OG1 2.91Å; T353-Y355 WeakPolarHBondContact OG1-CE2 3.45Å; T353-Y355 PolarHBondContact OG1-OH 2.86Å
354V90.4Very high91.4Very high76 Ų7660.3 Ų60.346%0.46130%0.296SS..EExtended strand (participates in β ladder)trans-92131.7173.6-175.90000108.4S307 V308S307-V354 PolarHBondContact N-O 3.15Å; S307-V354 WeakPolarHBondContact OG-CG1 2.94Å; S307-V354 PolarHBondContact OG-O 3.34Å; V308-V354 HydrophobicContact CB-CB 4.13Å; V308-V354 HydrophobicContact CB-CG2 4.29Å; V308-V354 PolarHBondContact N-O 3.16Å; V308-V354 PolarHBondContact O-N 2.8Å
355Y91.3Very high92Very high94 Ų9460.2 Ų60.237%0.36929%0.291SS..EExtended strand (participates in β ladder)trans-101.3157174.9-61.2-90.7000110.4P304 Q305 L306 M350 T353P304-Y355 HydrophobicContact CB-CD1 4.27Å; Q305-Y355 CarbonylContact O-C 3.56Å; Q305-Y355 VanDerWaalsContact O-CA 3.3Å; Q305-Y355 WeakPolarHBondContact O-CA 3.5Å; L306-Y355 HydrophobicContact CD2-CD1 3.85Å; L306-Y355 HydrophobicContact CD2-CE1 3.36Å; L306-Y355 HydrophobicContact CG-CE1 4.27Å; M350-Y355 WeakPolarHBondContact CE-OH 3.24Å; M350-Y355 PolarHBondContact SD-OH 3.47Å; T353-Y355 WeakPolarHBondContact OG1-CE2 3.45Å; T353-Y355 PolarHBondContact OG1-OH 2.86Å
356R91.6Very high92.3Very high39 Ų3956.2 Ų56.215%0.14727%0.266CS..EExtended strand (participates in β ladder)trans-133.6157.1169.964.8172.4176.8-148.9-14.5110.2P304 Q305 Q325 Q327 D385P304-R356 CarbonylContact C-O 3.58Å; Q305-R356 HydrophobicContact CB-CG 4.19Å; Q305-R356 PolarHBondContact N-O 3.49Å; Q305-R356 PolarHBondContact O-N 2.91Å; Q325-R356 PolarHBondContact O-NH2 2.97Å; Q327-R356 VanDerWaalsContact CG-NH2 3.33Å; Q327-R356 VanDerWaalsContact NE2-CZ 3.32Å; Q327-R356 VanDerWaalsContact NE2-NH2 3.16Å; R356-D385 WeakPolarHBondContact CB-OD1 3.49Å
357N93.9Very high92.2Very high79 Ų7959.1 Ų59.142%0.42229%0.289SS..EExtended strand (participates in β ladder)trans-75.4139.1175.7-64.5-28.2000110.3V302 D385 V388V302-N357 HydrophobicContact CG1-CB 4.23Å; N357-D385 PolarHBondContact O-N 2.96Å; N357-D385 VanDerWaalsContact O-N 3.17Å; N357-V388 HydrophobicContact CB-CB 4.41Å; N357-V388 HydrophobicContact CB-CG2 3.87Å
358Y94.4Very high92.1Very high42 Ų4256.9 Ų56.917%0.16530%0.3CS..EExtended strand (participates in β ladder)trans-132.4132.9178.6173-87.2000109.6L303 Q305 R360 I382 L384L303-Y358 PolarHBondContact N-O 3.48Å; L303-Y358 WeakPolarHBondContact O-CA 3.49Å; L303-Y358 WeakPolarHBondContact O-CB 3.41Å; L303-Y358 PolarHBondContact O-N 3.4Å; Q305-Y358 HydrophobicContact CB-CG 4.37Å; Y358-R360 HydrophobicContact CE1-CB 4.09Å; Y358-I382 HydrophobicContact CD2-CG2 3.73Å; Y358-I382 HydrophobicContact CE2-CB 4.31Å; Y358-I382 HydrophobicContact CE2-CD1 3.97Å; Y358-I382 HydrophobicContact CE2-CG1 3.96Å; Y358-I382 HydrophobicContact CE2-CG2 3.37Å; Y358-L384 HydrophobicContact CD2-CD2 4.16Å
359Q95Very high92Very high2 Ų258.9 Ų58.91%0.00931%0.306CS..EExtended strand (participates in β ladder)trans-141.2131171.5-174.5175.444.700109.5S300 I361 L383 V388 D389S300-Q359 WeakPolarHBondContact O-CG 2.92Å; S300-Q359 PolarHBondContact O-NE2 3.36Å; Q359-I361 HydrophobicContact CG-CG2 4.36Å; Q359-L383 HydrophobicContact CB-CB 4.39Å; Q359-L383 PolarHBondContact N-O 3.35Å; Q359-L383 PolarHBondContact O-N 3.21Å; Q359-V388 HydrophobicContact CB-CB 4.38Å; Q359-V388 HydrophobicContact CB-CG1 3.86Å; Q359-V388 HydrophobicContact CB-CG2 3.95Å; Q359-D389 PolarHBondContact NE2-OD1 3.27Å
360R95.3Very high92.1Very high114 Ų11459.8 Ų59.843%0.4331%0.311SS..EExtended strand (participates in β ladder)trans-100.1132.1171.6-175.3175.4175.6173.7-0.8109.7S300 Y358 D380S300-R360 PolarHBondContact N-O 2.79Å; S300-R360 WeakPolarHBondContact OG-CA 3.22Å; S300-R360 PolarHBondContact OG-N 2.87Å; S300-R360 PolarHBondContact OG-O 3.31Å; Y358-R360 HydrophobicContact CE1-CB 4.09Å; R360-D380 IonicContact CZ-OD2 3.71Å; R360-D380 IonicContact NE-OD2 3.67Å; R360-D380 IonicContact NH2-OD2 2.66Å; R360-D380 PolarHBondContact NH2-OD2 3.26Å
361I96.6Very high92.2Very high1 Ų156.5 Ų56.51%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-121.2151.2174.864.3166.1000110.1V296 S298 Q359 D380 A381 L383 I397 L399V296-I361 HydrophobicContact CG1-CB 4.34Å; V296-I361 HydrophobicContact CG2-CD1 4.45Å; S298-I361 WeakPolarHBondContact O-CA 3.26Å; Q359-I361 HydrophobicContact CG-CG2 4.36Å; I361-D380 WeakPolarHBondContact O-CA 3.32Å; I361-A381 HydrophobicContact CD1-CB 4.16Å; I361-A381 HydrophobicContact CG1-CB 3.82Å; I361-A381 WeakPolarHBondContact CG1-O 3.44Å; I361-A381 PolarHBondContact N-O 3.37Å; I361-A381 PolarHBondContact O-N 3.35Å; I361-L383 HydrophobicContact CD1-CD1 4.15Å; I361-L383 HydrophobicContact CD1-CD2 4.05Å; I361-L383 HydrophobicContact CD1-CG 4.19Å; I361-L383 HydrophobicContact CG1-CG 4.31Å; I361-L383 HydrophobicContact CG2-CD1 3.89Å; I361-L383 HydrophobicContact CG2-CG 4.29Å; I361-I397 HydrophobicContact CD1-CD1 3.97Å; I361-L399 HydrophobicContact CD1-CD1 4.19Å
362T96.9Very high92.3Very high26 Ų2652.7 Ų52.716%0.1630%0.299CS..EExtended strand (participates in β ladder)trans-110.9112.2171.8-59.70000109.6T297 S298 D380T297-T362 PolarHBondContact N-O 2.81Å; T297-T362 PolarHBondContact OG1-O 3.12Å; S298-T362 PolarHBondContact O-N 3.41Å; S298-T362 PolarHBondContact OG-OG1 3.42Å; T362-D380 PolarHBondContact OG1-OD1 3.14Å
363L96.3Very high92.4Very high0 Ų053.8 Ų53.80%033%0.329CS..EExtended strand (participates in β ladder)trans-91.1133.3179-169.765.8000110L278 G294 V296 S378 K379 I397 L399L278-L363 HydrophobicContact CD1-CD2 4.06Å; L278-L363 HydrophobicContact CD1-CG 4.44Å; L278-L363 HydrophobicContact CD2-CB 4.27Å; L278-L363 HydrophobicContact CD2-CD2 4.23Å; L278-L363 HydrophobicContact CD2-CG 4.07Å; L278-L363 WeakPolarHBondContact CD2-O 3.28Å; G294-L363 VanDerWaalsContact C-CD1 3.42Å; V296-L363 HydrophobicContact CG2-CD1 4.37Å; L363-S378 CarbonylContact O-C 3.48Å; L363-S378 WeakPolarHBondContact O-CA 3.4Å; L363-S378 WeakPolarHBondContact O-CB 3.25Å; L363-K379 PolarHBondContact N-O 2.86Å; L363-K379 PolarHBondContact O-N 3.34Å; L363-I397 HydrophobicContact CD1-CD1 3.84Å; L363-I397 HydrophobicContact CD1-CG1 3.56Å; L363-L399 HydrophobicContact CD2-CB 4.48Å
364Q95.5Very high92.6Very high61 Ų6161.1 Ų61.129%0.28536%0.355SS..EExtended strand (participates in β ladder)trans-119.1150.2176.7-172.8174.424.500110.7G294 V295 T297 S366 P376G294-Q364 CarbonylContact C-O 3.5Å; G294-Q364 WeakPolarHBondContact CA-O 3.31Å; V295-Q364 PolarHBondContact N-O 2.82Å; V295-Q364 PolarHBondContact O-N 2.77Å; T297-Q364 HydrophobicContact CG2-CB 3.48Å; T297-Q364 VanDerWaalsContact CG2-CB 3.48Å; T297-Q364 HydrophobicContact CG2-CG 4.3Å; Q364-S366 PolarHBondContact O-N 2.8Å; Q364-P376 HydrophobicContact CG-CB 3.95Å; Q364-P376 HydrophobicContact CG-CG 4.47Å
365E94.5Very high92.8Very high13 Ų1364.7 Ų64.76%0.06137%0.371CS..  trans-53.6135171.7-70.4169.2-157.200111.4L278 R279 V370 P376 R377L278-E365 HydrophobicContact CB-CG 3.82Å; R279-E365 VanDerWaalsContact CB-OE1 3.26Å; R279-E365 WeakPolarHBondContact CB-OE1 3.4Å; R279-E365 IonicContact CZ-OE1 3.82Å; R279-E365 IonicContact CZ-OE2 3.56Å; R279-E365 PolarHBondContact N-OE1 3.46Å; R279-E365 IonicContact NE-OE1 3.5Å; R279-E365 IonicContact NE-OE2 3.41Å; R279-E365 PolarHBondContact NE-OE2 3.46Å; R279-E365 IonicContact NH2-OE1 3.54Å; R279-E365 IonicContact NH2-OE2 2.82Å; R279-E365 PolarHBondContact NH2-OE2 3.2Å; E365-V370 HydrophobicContact CB-CG2 3.8Å; E365-P376 HydrophobicContact CB-CB 4.38Å; E365-R377 PolarHBondContact N-O 2.64Å; E365-R377 VanDerWaalsContact N-O 3.12Å; E365-R377 WeakPolarHBondContact OE1-CB 3.21Å; E365-R377 PolarHBondContact OE1-N 3.4Å
366S92.2Very high92.9Very high7 Ų762.6 Ų62.65%0.04937%0.369CS..  trans-58.9132.4172.9-60.10000110.2Q364 G368 K369 V370Q364-S366 PolarHBondContact O-N 2.8Å; S366-G368 PolarHBondContact O-N 3.4Å; S366-K369 PolarHBondContact O-N 3.33Å; S366-V370 WeakPolarHBondContact O-CG2 3.48Å; S366-V370 PolarHBondContact O-N 3.38Å
367P89Confident93Very high104 Ų10466.9 Ų66.968%0.67539%0.385SS*.G310 helixtrans-58.1-30.1-171.322-33.5000113.4K369P367-K369 PolarHBondContact O-N 3.4Å
368G88.2Confident93.1Very high80 Ų8066.4 Ų66.483%0.82539%0.388SS*.G310 helixtrans-71.9-21.5176.600000115.3S366S366-G368 PolarHBondContact O-N 3.4Å
369K88Confident93.1Very high103 Ų10366.7 Ų66.745%0.44839%0.39SS..G310 helixtrans-92.3-12.2177.4-75.3-172163.8-161.40113.3D277 S366 P367D277-K369 IonicContact OD1-NZ 3.89Å; D277-K369 PolarHBondContact OD1-NZ 3.13Å; S366-K369 PolarHBondContact O-N 3.33Å; P367-K369 PolarHBondContact O-N 3.4Å
370V90.3Very high93.1Very high28 Ų2868.4 Ų68.417%0.1740%0.399CS..SBendtrans-71.3129.9-175.6-178.60000109.5E365 S366 A372 R374 P376E365-V370 HydrophobicContact CB-CG2 3.8Å; S366-V370 WeakPolarHBondContact O-CG2 3.48Å; S366-V370 PolarHBondContact O-N 3.38Å; V370-A372 PolarHBondContact O-N 3.15Å; V370-R374 WeakPolarHBondContact CG1-O 3.35Å; V370-P376 HydrophobicContact CG1-CB 4.42Å; V370-P376 HydrophobicContact CG2-CB 3.83Å
371P91.2Very high93.1Very high54 Ų5463 Ų6335%0.35138%0.379SS..PPolyproline II helixtrans-58.1132.6174.7-23.732.9000111.5G373 R374P371-G373 PolarHBondContact O-N 2.72Å; P371-R374 HydrophobicContact CB-CB 4.47Å; P371-R374 HydrophobicContact CB-CG 4.45Å; P371-R374 PolarHBondContact O-N 2.93Å
372A91.2Very high93Very high105 Ų10563.6 Ų63.687%0.86838%0.382SS*.THydrogen-bonded Turntrans-52.3132.3-177.800000112.1V370 R374V370-A372 PolarHBondContact O-N 3.15Å; A372-R374 VanDerWaalsContact C-N 3.27Å; A372-R374 PolarHBondContact O-N 2.7Å
373G90.2Very high93Very high92 Ų9262.4 Ų62.495%0.94838%0.375SS*.THydrogen-bonded Turntrans76.61.9179.600000115.6P371P371-G373 PolarHBondContact O-N 2.72Å
374R93.2Very high92.8Very high163 Ų16363.6 Ų63.662%0.61538%0.381SS*.SBendtrans-103.5148.9173.1-66.7-170.3174.2176.1-2.6111.4V370 P371 A372V370-R374 WeakPolarHBondContact CG1-O 3.35Å; P371-R374 HydrophobicContact CB-CB 4.47Å; P371-R374 HydrophobicContact CB-CG 4.45Å; P371-R374 PolarHBondContact O-N 2.93Å; A372-R374 VanDerWaalsContact C-N 3.27Å; A372-R374 PolarHBondContact O-N 2.7Å
375L93.1Very high92.6Very high152 Ų15262.3 Ų62.380%0.79638%0.376SS*.PPolyproline II helixtrans-70.6134.8172.8-67.8167.6000110.3R279R279-L375 PolarHBondContact NH2-O 3.48Å
376P94.6Very high92.4Very high50 Ų5064 Ų6433%0.32539%0.385SS..PPolyproline II helixtrans-61.3139.1171.424.6-34000110.5Q364 E365 V370Q364-P376 HydrophobicContact CG-CB 3.95Å; Q364-P376 HydrophobicContact CG-CG 4.47Å; E365-P376 HydrophobicContact CB-CB 4.38Å; V370-P376 HydrophobicContact CG1-CB 4.42Å; V370-P376 HydrophobicContact CG2-CB 3.83Å
377R94.2Very high92.4Very high129 Ų12964.2 Ų64.249%0.48739%0.386SS..PPolyproline II helixtrans-90.1151.2172.7-58.4-171.4172.2-143.7-4.2110.3E365E365-R377 PolarHBondContact N-O 2.64Å; E365-R377 VanDerWaalsContact N-O 3.12Å; E365-R377 WeakPolarHBondContact OE1-CB 3.21Å; E365-R377 PolarHBondContact OE1-N 3.4Å
378S94.6Very high92.7Very high68 Ų6860.2 Ų60.248%0.47636%0.359SS..EExtended strand (participates in β ladder)trans-119.3153.9171.955.30000110.9L363L363-S378 CarbonylContact O-C 3.48Å; L363-S378 WeakPolarHBondContact O-CA 3.4Å; L363-S378 WeakPolarHBondContact O-CB 3.25Å
379K94.8Very high92.9Very high49 Ų4961.6 Ų61.621%0.21335%0.348CS..EExtended strand (participates in β ladder)trans-139.3146.4173.7-72-63.8-170171.30109.1L278 L281 L363 Y403 T422 I424L278-K379 HydrophobicContact CD2-CB 4.08Å; L278-K379 HydrophobicContact CD2-CG 4.23Å; L281-K379 HydrophobicContact CD1-CG 4.41Å; L363-K379 PolarHBondContact N-O 2.86Å; L363-K379 PolarHBondContact O-N 3.34Å; K379-Y403 PolarHBondContact NZ-OH 3Å; K379-T422 PolarHBondContact NZ-OG1 3.31Å; K379-I424 HydrophobicContact CB-CD1 4.35Å
380D95.1Very high93Very high37 Ų3758.2 Ų58.220%0.19834%0.338CS..EExtended strand (participates in β ladder)trans-88.3139175.2-62.2-35.4000109.9R360 I361 T362 I424R360-D380 IonicContact CZ-OD2 3.71Å; R360-D380 IonicContact NE-OD2 3.67Å; R360-D380 IonicContact NH2-OD2 2.66Å; R360-D380 PolarHBondContact NH2-OD2 3.26Å; I361-D380 WeakPolarHBondContact O-CA 3.32Å; T362-D380 PolarHBondContact OG1-OD1 3.14Å; D380-I424 PolarHBondContact O-N 2.86Å
381A95.6Very high93Very high0 Ų057.1 Ų57.10%033%0.331CS..EExtended strand (participates in β ladder)trans-123.8148171.100000110.2I361 L399 I424I361-A381 HydrophobicContact CD1-CB 4.16Å; I361-A381 HydrophobicContact CG1-CB 3.82Å; I361-A381 WeakPolarHBondContact CG1-O 3.44Å; I361-A381 PolarHBondContact N-O 3.37Å; I361-A381 PolarHBondContact O-N 3.35Å; A381-L399 HydrophobicContact CB-CD1 3.79Å; A381-I424 CarbonylContact C-O 3.55Å; A381-I424 WeakPolarHBondContact CA-O 3.25Å; A381-I424 HydrophobicContact CB-CB 4.07Å
382I95.1Very high93.1Very high15 Ų1561 Ų618%0.07734%0.342CS..EExtended strand (participates in β ladder)trans-109.4125.3177.3-66.3168.2000107.9Y358 L384 V423 I424 L425 A426Y358-I382 HydrophobicContact CD2-CG2 3.73Å; Y358-I382 HydrophobicContact CE2-CB 4.31Å; Y358-I382 HydrophobicContact CE2-CD1 3.97Å; Y358-I382 HydrophobicContact CE2-CG1 3.96Å; Y358-I382 HydrophobicContact CE2-CG2 3.37Å; I382-L384 HydrophobicContact CG2-CD2 3.69Å; I382-L384 HydrophobicContact CG2-CG 4.06Å; I382-V423 HydrophobicContact CB-CG1 4.49Å; I382-V423 HydrophobicContact CD1-CG1 3.52Å; I382-V423 HydrophobicContact CG1-CG1 3.62Å; I382-I424 PolarHBondContact N-O 2.88Å; I382-L425 HydrophobicContact CB-CD2 3.98Å; I382-L425 HydrophobicContact CD1-CD2 3.85Å; I382-L425 HydrophobicContact CG1-CD2 4.41Å; I382-A426 WeakPolarHBondContact O-CB 3.5Å; I382-A426 PolarHBondContact O-N 2.93Å
383L95.4Very high93.2Very high0 Ų059.7 Ų59.70%033%0.325CS..EExtended strand (participates in β ladder)trans-101139.9170.6-48.9-177000108.6Q359 I361 L387 V388 L399 A426 V429Q359-L383 HydrophobicContact CB-CB 4.39Å; Q359-L383 PolarHBondContact N-O 3.35Å; Q359-L383 PolarHBondContact O-N 3.21Å; I361-L383 HydrophobicContact CD1-CD1 4.15Å; I361-L383 HydrophobicContact CD1-CD2 4.05Å; I361-L383 HydrophobicContact CD1-CG 4.19Å; I361-L383 HydrophobicContact CG1-CG 4.31Å; I361-L383 HydrophobicContact CG2-CD1 3.89Å; I361-L383 HydrophobicContact CG2-CG 4.29Å; L383-L387 HydrophobicContact CB-CB 4.08Å; L383-L387 WeakPolarHBondContact CD1-O 3.17Å; L383-V388 HydrophobicContact CB-CG2 4.49Å; L383-L399 HydrophobicContact CD2-CD1 4.44Å; L383-A426 HydrophobicContact CD2-CB 3.37Å; L383-V429 HydrophobicContact CD2-CG2 3.73Å
384L93.2Very high93.3Very high25 Ų2557.8 Ų57.813%0.13131%0.305CS..EExtended strand (participates in β ladder)trans-129.6151.9-175.1-57.1164.4000110Y358 I382 D386 L387Y358-L384 HydrophobicContact CD2-CD2 4.16Å; I382-L384 HydrophobicContact CG2-CD2 3.69Å; I382-L384 HydrophobicContact CG2-CG 4.06Å; L384-D386 PolarHBondContact O-N 2.81Å; L384-L387 WeakPolarHBondContact O-CB 3.03Å; L384-L387 PolarHBondContact O-N 3.47Å
385D90.3Very high93.3Very high35 Ų3551.5 Ų51.519%0.18728%0.284CS..G310 helixtrans55.5-114.4170.3-60-57.2000112.9H266 R356 N357H266-D385 IonicContact NE2-OD2 3.69Å; R356-D385 WeakPolarHBondContact CB-OD1 3.49Å; N357-D385 PolarHBondContact O-N 2.96Å; N357-D385 VanDerWaalsContact O-N 3.17Å
386D91Very high93.3Very high47 Ų4747.4 Ų47.425%0.25126%0.261SS..G310 helixtrans-74.4-18.9179.259.3-29.3000114.9H212 S213 R268 L384 V388H212-D386 WeakPolarHBondContact NE2-CB 3.26Å; H212-D386 IonicContact NE2-OD1 2.58Å; S213-D386 WeakPolarHBondContact CB-OD2 3.16Å; S213-D386 PolarHBondContact OG-OD2 2.95Å; R268-D386 IonicContact CZ-OD1 3.49Å; R268-D386 IonicContact NE-OD1 3.52Å; R268-D386 IonicContact NE-OD2 2.7Å; R268-D386 IonicContact NH2-OD1 3.3Å; R268-D386 PolarHBondContact NH2-OD1 3.4Å; R268-D386 IonicContact NH2-OD2 3.25Å; L384-D386 PolarHBondContact O-N 2.81Å; D386-V388 PolarHBondContact O-N 2.83Å
387L93.2Very high93.3Very high12 Ų1245 Ų456%0.06325%0.245CC..G310 helixtrans-75.3-11-179.9-63.6177.3000112.6L383 L384 S390 A426 N427L383-L387 HydrophobicContact CB-CB 4.08Å; L383-L387 WeakPolarHBondContact CD1-O 3.17Å; L384-L387 WeakPolarHBondContact O-CB 3.03Å; L384-L387 PolarHBondContact O-N 3.47Å; L387-S390 WeakPolarHBondContact O-CB 3.32Å; L387-S390 PolarHBondContact O-N 3.17Å; L387-S390 PolarHBondContact O-OG 3.38Å; L387-A426 HydrophobicContact CD1-CB 4.21Å; L387-N427 WeakPolarHBondContact CD1-O 3.42Å
388V93.7Very high93.3Very high20 Ų2039.6 Ų39.612%0.12123%0.225CC..THydrogen-bonded Turntrans-67.4140.2179.4176.80000110.5V302 N357 Q359 L383 D386 S390V302-V388 HydrophobicContact CB-CG1 3.95Å; V302-V388 HydrophobicContact CG1-CG1 3.67Å; V302-V388 HydrophobicContact CG2-CG1 3.21Å; N357-V388 HydrophobicContact CB-CB 4.41Å; N357-V388 HydrophobicContact CB-CG2 3.87Å; Q359-V388 HydrophobicContact CB-CB 4.38Å; Q359-V388 HydrophobicContact CB-CG1 3.86Å; Q359-V388 HydrophobicContact CB-CG2 3.95Å; L383-V388 HydrophobicContact CB-CG2 4.49Å; D386-V388 PolarHBondContact O-N 2.83Å; V388-S390 PolarHBondContact O-N 2.96Å
389D92.1Very high93.3Very high109 Ų10936.3 Ų36.358%0.58320%0.203SC*.THydrogen-bonded Turntrans6016.6-173.8-69.7-23.1000115.1V302 Q359 C391V302-D389 VanDerWaalsContact CG2-OD2 3.31Å; V302-D389 WeakPolarHBondContact CG2-OD2 3.49Å; Q359-D389 PolarHBondContact NE2-OD1 3.27Å; D389-C391 VanDerWaalsContact C-N 3.3Å; D389-C391 PolarHBondContact O-N 3.35Å
390S90.2Very high93.3Very high33 Ų3334.2 Ų34.223%0.23119%0.194CC..SBendtrans-69.8-24.1173.560.70000113.9L387 V388 R431L387-S390 WeakPolarHBondContact O-CB 3.32Å; L387-S390 PolarHBondContact O-N 3.17Å; L387-S390 PolarHBondContact O-OG 3.38Å; V388-S390 PolarHBondContact O-N 2.96Å; S390-R431 WeakPolarHBondContact O-CD 3.34Å
391C91.3Very high93.3Very high4 Ų432.4 Ų32.43%0.02718%0.184CC..  trans-132.1150.3-177.463.50000112.3V296 D389 I397V296-C391 HydrophobicContact CG2-CB 4.14Å; D389-C391 VanDerWaalsContact C-N 3.3Å; D389-C391 PolarHBondContact O-N 3.35Å; C391-I397 HydrophobicContact CB-CG2 3.99Å
392K92.3Very high93.3Very high137 Ų13733.1 Ų33.160%0.59619%0.189SC*.  trans-114.4153.6176.1-63.5176.5-176175.60110.5G394 D395K392-G394 PolarHBondContact O-N 2.88Å; K392-D395 PolarHBondContact N-OD2 2.69Å; K392-D395 WeakPolarHBondContact O-CB 3.42Å; K392-D395 PolarHBondContact O-N 2.92Å
393P94.5Very high93.3Very high76 Ų7632.9 Ų32.949%0.49419%0.187SC..THydrogen-bonded Turntrans-56.6124.8171.3-24.234.5000110.9V296 S299V296-P393 CarbonylContact O-C 3.39Å; V296-P393 WeakPolarHBondContact O-CA 3.34Å; S299-P393 WeakPolarHBondContact OG-CG 3.47Å
394G92.4Very high93.2Very high53 Ų5333.2 Ų33.255%0.54619%0.189SC..THydrogen-bonded Turntrans107.5-20.3-174.700000114.3V296 K392V296-G394 PolarHBondContact O-N 3.25Å; K392-G394 PolarHBondContact O-N 2.88Å
395D93.1Very high93Very high31 Ų3134.9 Ų34.917%0.16620%0.196CC..  trans-71.2137.2-177.9-64.8-5.4000111V295 V296 K392 I397V295-D395 WeakPolarHBondContact CA-O 3.29Å; V296-D395 PolarHBondContact N-O 3.11Å; V296-D395 VanDerWaalsContact N-O 3.07Å; K392-D395 PolarHBondContact N-OD2 2.69Å; K392-D395 WeakPolarHBondContact O-CB 3.42Å; K392-D395 PolarHBondContact O-N 2.92Å; D395-I397 HydrophobicContact CB-CG2 4.18Å
396E93Very high92.9Very high65 Ų6535 Ų3530%0.30420%0.199SC..EExtended strand (participates in β ladder)trans-81.7116166.7-63.3-145161.300110.1V295 K432V295-E396 HydrophobicContact CG2-CG 4.18Å; E396-K432 HydrophobicContact CB-CB 4.34Å; E396-K432 HydrophobicContact CB-CD 4.11Å; E396-K432 HydrophobicContact CB-CG 4.38Å; E396-K432 PolarHBondContact O-N 3.4Å; E396-K432 IonicContact OE2-NZ 3.99Å; E396-K432 PolarHBondContact OE2-NZ 3.01Å
397I93.8Very high92.4Very high0 Ų039.9 Ų39.90%022%0.215CC..EExtended strand (participates in β ladder)trans-118.2150.3-178.170.4168.1000112.3C293 G294 V296 I361 L363 C391 D395 L399 V429 R431C293-I397 WeakPolarHBondContact CA-O 3.47Å; G294-I397 PolarHBondContact N-O 2.71Å; G294-I397 PolarHBondContact O-N 2.98Å; V296-I397 HydrophobicContact CG2-CD1 3.55Å; V296-I397 HydrophobicContact CG2-CG1 3.87Å; V296-I397 HydrophobicContact CG2-CG2 4.05Å; I361-I397 HydrophobicContact CD1-CD1 3.97Å; L363-I397 HydrophobicContact CD1-CD1 3.84Å; L363-I397 HydrophobicContact CD1-CG1 3.56Å; C391-I397 HydrophobicContact CB-CG2 3.99Å; D395-I397 HydrophobicContact CB-CG2 4.18Å; I397-L399 HydrophobicContact CD1-CB 4.4Å; I397-L399 HydrophobicContact CD1-CD1 4.2Å; I397-V429 HydrophobicContact CB-CG1 4.2Å; I397-V429 HydrophobicContact CD1-CG1 4.07Å; I397-V429 HydrophobicContact CG2-CG1 4.28Å; I397-R431 HydrophobicContact CG2-CG 4.09Å
398E93.6Very high91.8Very high15 Ų1542 Ų427%0.0723%0.227CC..EExtended strand (participates in β ladder)trans-107.9115.6165-176.2175.1175.700107.4R291 V430 K435R291-E398 WeakPolarHBondContact CD-OE1 3.03Å; R291-E398 HydrophobicContact CG-CG 4.04Å; R291-E398 IonicContact CZ-OE1 3.67Å; R291-E398 VanDerWaalsContact CZ-OE1 3.25Å; R291-E398 IonicContact NE-OE1 3.33Å; R291-E398 PolarHBondContact NE-OE1 2.98Å; R291-E398 IonicContact NH1-OE1 2.63Å; R291-E398 PolarHBondContact NH1-OE1 3.19Å; E398-V430 HydrophobicContact CB-CB 4.4Å; E398-V430 PolarHBondContact N-O 3.3Å; E398-V430 PolarHBondContact O-N 3.49Å; E398-K435 IonicContact OE2-NZ 3.79Å
399L95Very high91.1Very high0 Ų042.7 Ų42.70%024%0.238CC..EExtended strand (participates in β ladder)trans-113.3119.2-173.2-176138.8000109.4R291 T292 I361 L363 A381 L383 I397 I424 A426 V429R291-L399 WeakPolarHBondContact CA-O 3.47Å; T292-L399 PolarHBondContact N-O 2.83Å; T292-L399 PolarHBondContact O-N 2.89Å; I361-L399 HydrophobicContact CD1-CD1 4.19Å; L363-L399 HydrophobicContact CD2-CB 4.48Å; A381-L399 HydrophobicContact CB-CD1 3.79Å; L383-L399 HydrophobicContact CD2-CD1 4.44Å; I397-L399 HydrophobicContact CD1-CB 4.4Å; I397-L399 HydrophobicContact CD1-CD1 4.2Å; L399-I424 HydrophobicContact CD2-CB 4.23Å; L399-I424 HydrophobicContact CD2-CD1 4.47Å; L399-I424 HydrophobicContact CD2-CG2 3.41Å; L399-I424 VanDerWaalsContact CD2-CG2 3.41Å; L399-A426 HydrophobicContact CD1-CB 3.97Å; L399-A426 HydrophobicContact CG-CB 4.28Å; L399-V429 HydrophobicContact CD1-CG2 4.26Å
400T95.8Very high90.6Very high4 Ų440.2 Ų40.23%0.02523%0.229CC..EExtended strand (participates in β ladder)trans-99.5126.2169.2-56.30000108L289 I290 N427 N428L289-T400 HydrophobicContact CD1-CG2 4.14Å; L289-T400 HydrophobicContact CD2-CG2 4.26Å; L289-T400 HydrophobicContact CG-CG2 4.13Å; I290-T400 CarbonylContact O-C 3.48Å; I290-T400 WeakPolarHBondContact O-CA 3.44Å; T400-N427 WeakPolarHBondContact O-CA 3.5Å; T400-N427 PolarHBondContact O-N 2.62Å; T400-N428 PolarHBondContact N-O 3.32Å; T400-N428 PolarHBondContact O-N 3.21Å
401G95.5Very high90.1Very high0 Ų040.5 Ų40.50%023%0.228CC..EExtended strand (participates in β ladder)trans-169.3173.2-175.800000113.6I290 L425I290-G401 VanDerWaalsContact CG1-O 3.25Å; I290-G401 WeakPolarHBondContact CG1-O 3.48Å; I290-G401 PolarHBondContact N-O 3.36Å; I290-G401 PolarHBondContact O-N 3.33Å; G401-L425 CarbonylContact C-O 3.55Å; G401-L425 WeakPolarHBondContact CA-O 3.08Å
402V95.5Very high89.5Confident15 Ų1541.4 Ų41.49%0.09123%0.232CC..EExtended strand (participates in β ladder)trans-94.5125.7179.9-174.80000109.3P236 Q288 L289 T404 I424 L425P236-V402 HydrophobicContact CB-CG2 3.72Å; P236-V402 HydrophobicContact CG-CB 4.37Å; P236-V402 HydrophobicContact CG-CG1 3.92Å; P236-V402 HydrophobicContact CG-CG2 3.57Å; Q288-V402 WeakPolarHBondContact O-CA 3.32Å; L289-V402 HydrophobicContact CD1-CG2 4.05Å; V402-T404 HydrophobicContact CB-CG2 4.36Å; V402-T404 HydrophobicContact CG1-CG2 3.92Å; V402-T404 PolarHBondContact O-N 2.94Å; V402-I424 WeakPolarHBondContact O-CA 3.45Å; V402-L425 PolarHBondContact N-O 3.33Å; V402-L425 PolarHBondContact O-N 2.86Å
403Y95.2Very high89.2Confident9 Ų940.9 Ų40.94%0.03524%0.24CC..EExtended strand (participates in β ladder)trans-81.7102178-175.6-118.8000110.7L281 H285 L286 N287 Q288 I290 K379 T422 I424L281-Y403 HydrophobicContact CB-CE2 4.5Å; L281-Y403 HydrophobicContact CD1-CD2 4.35Å; L281-Y403 HydrophobicContact CD1-CE2 4.18Å; H285-Y403 HydrophobicContact CB-CD1 4.21Å; H285-Y403 WeakPolarHBondContact O-CB 3.31Å; L286-Y403 HydrophobicContact CD2-CD1 3.82Å; L286-Y403 HydrophobicContact CD2-CE1 3.73Å; L286-Y403 HydrophobicContact CG-CD1 4.39Å; L286-Y403 HydrophobicContact CG-CE1 4.37Å; N287-Y403 PolarHBondContact N-O 3Å; Q288-Y403 PolarHBondContact O-N 2.7Å; I290-Y403 HydrophobicContact CD1-CD2 4.37Å; I290-Y403 HydrophobicContact CD1-CG 4.36Å; K379-Y403 PolarHBondContact NZ-OH 3Å; Y403-T422 HydrophobicContact CE1-CG2 4.48Å; Y403-T422 HydrophobicContact CE2-CG2 4.4Å; Y403-T422 VanDerWaalsContact OH-CB 3.32Å; Y403-T422 WeakPolarHBondContact OH-CB 3.42Å; Y403-T422 VanDerWaalsContact OH-CG2 3.26Å; Y403-T422 WeakPolarHBondContact OH-CG2 3.41Å; Y403-T422 PolarHBondContact OH-OG1 3.41Å; Y403-I424 HydrophobicContact CD2-CG1 3.91Å
404T91.9Very high88.8Confident8 Ų845 Ų455%0.04925%0.251CS..EExtended strand (participates in β ladder)trans-106.3164.8-175.765.80000112V402 T422 V423 L425V402-T404 HydrophobicContact CB-CG2 4.36Å; V402-T404 HydrophobicContact CG1-CG2 3.92Å; V402-T404 PolarHBondContact O-N 2.94Å; T404-T422 WeakPolarHBondContact O-CA 3.5Å; T404-V423 WeakPolarHBondContact CA-O 3.44Å; T404-V423 PolarHBondContact N-O 2.8Å; T404-V423 PolarHBondContact O-N 2.93Å; T404-V423 VanDerWaalsContact O-O 3.11Å; T404-V423 PolarHBondContact OG1-O 2.86Å; T404-L425 HydrophobicContact CG2-CD1 3.72Å; T404-L425 HydrophobicContact CG2-CG 3.84Å
405H90.6Very high88.4Confident60 Ų6047.7 Ų47.728%0.27825%0.249SC..EExtended strand (participates in β ladder)trans-128.4148.5173.867.5-73.9000110.1L286 T328 F420 A421L286-H405 HydrophobicContact CD2-CB 4.01Å; T328-H405 WeakPolarHBondContact CG2-O 3.47Å; H405-F420 HydrophobicContact CB-CB 4.18Å; H405-F420 AromaticContact CD2-CD1 3.68Å; H405-F420 AromaticContact CD2-CG 3.96Å; H405-A421 CarbonylContact C-O 3.59Å; H405-A421 WeakPolarHBondContact CA-O 3.38Å
406S86.4Confident87.8Confident36 Ų3649.1 Ų49.125%0.25227%0.271SS..EExtended strand (participates in β ladder)trans-131144.2176.361.50000109.9D408 A421S406-D408 PolarHBondContact O-N 2.86Å; S406-A421 PolarHBondContact N-O 3.32Å; S406-A421 PolarHBondContact O-N 3.04Å
407Y82.1Confident87.3Confident150 Ų15053.5 Ų53.559%0.58829%0.29SS*.EExtended strand (participates in β ladder)trans-73.9118.7173.7-177.3-96.2000109.7N412 F420Y407-N412 WeakPolarHBondContact CE2-ND2 3.5Å; Y407-N412 PolarHBondContact OH-ND2 3Å; Y407-F420 HydrophobicContact CD2-CD1 4.21Å; Y407-F420 AromaticContact CD2-CE1 3.68Å; Y407-F420 HydrophobicContact CD2-CE1 3.68Å; Y407-F420 HydrophobicContact CD2-CZ 4.05Å; Y407-F420 HydrophobicContact CG-CE1 4.26Å
408D80.2Confident86.8Confident57 Ų5758.3 Ų58.331%0.30532%0.321SS..  trans-115.4110.4172.4-176.4-6.8000108.9S406 S410 L411 A421S406-D408 PolarHBondContact O-N 2.86Å; D408-S410 PolarHBondContact O-N 3.03Å; D408-S410 VanDerWaalsContact OD1-CB 3.29Å; D408-S410 WeakPolarHBondContact OD1-CB 3.42Å; D408-S410 PolarHBondContact OD1-N 3.44Å; D408-S410 PolarHBondContact OD1-OG 3.41Å; D408-S410 PolarHBondContact OD2-OG 3.22Å; D408-S410 VanDerWaalsContact OD2-OG 3.06Å; D408-L411 HydrophobicContact CB-CB 4.44Å; D408-L411 HydrophobicContact CB-CD1 4.01Å; D408-L411 HydrophobicContact CB-CG 4.07Å; D408-L411 PolarHBondContact O-N 2.81Å; D408-A421 HydrophobicContact CB-CB 4.35Å
409G78.3Confident86.3Confident34 Ų3460.1 Ų60.135%0.35133%0.333SS..Hα-helixtrans-59.6-27.7178.500000112.9N412 T413G409-N412 PolarHBondContact O-N 2.85Å; G409-T413 PolarHBondContact O-N 3.34Å; G409-T413 PolarHBondContact O-OG1 3.14Å
410S82.3Confident85.9Confident57 Ų5764.6 Ų64.640%0.39935%0.352SS..Hα-helixtrans-72.5-30.5-178.379.20000113.1D408 K414D408-S410 PolarHBondContact O-N 3.03Å; D408-S410 VanDerWaalsContact OD1-CB 3.29Å; D408-S410 WeakPolarHBondContact OD1-CB 3.42Å; D408-S410 PolarHBondContact OD1-N 3.44Å; D408-S410 PolarHBondContact OD1-OG 3.41Å; D408-S410 PolarHBondContact OD2-OG 3.22Å; D408-S410 VanDerWaalsContact OD2-OG 3.06Å; S410-K414 WeakPolarHBondContact O-CG 3.15Å; S410-K414 PolarHBondContact O-N 3.07Å
411L80.4Confident85.6Confident39 Ų3965.6 Ų65.620%0.20436%0.361CS..Hα-helixtrans-71.5-37.2176.2-68.8179.5000111.2D408 T413 K414 H415 V419 A421D408-L411 HydrophobicContact CB-CB 4.44Å; D408-L411 HydrophobicContact CB-CD1 4.01Å; D408-L411 HydrophobicContact CB-CG 4.07Å; D408-L411 PolarHBondContact O-N 2.81Å; L411-T413 PolarHBondContact O-N 2.97Å; L411-K414 PolarHBondContact O-N 2.88Å; L411-H415 PolarHBondContact O-CD2 2.93Å; L411-H415 VanDerWaalsContact O-CD2 3.25Å; L411-H415 PolarHBondContact O-N 2.88Å; L411-V419 HydrophobicContact CB-CB 4.47Å; L411-A421 HydrophobicContact CD1-CB 3.81Å
412N78.7Confident85.4Confident24 Ų2467.4 Ų67.413%0.12837%0.372CS..Hα-helixtrans-63.6-41.9179.1-66.1-14.4000112.1Y407 G409 K414 G416 F417 P418 V419Y407-N412 WeakPolarHBondContact CE2-ND2 3.5Å; Y407-N412 PolarHBondContact OH-ND2 3Å; G409-N412 PolarHBondContact O-N 2.85Å; N412-K414 VanDerWaalsContact C-N 3.31Å; N412-K414 PolarHBondContact O-N 3.49Å; N412-G416 WeakPolarHBondContact O-CA 3.46Å; N412-G416 PolarHBondContact O-N 3.49Å; N412-F417 PolarHBondContact OD1-O 2.87Å; N412-P418 VanDerWaalsContact OD1-CA 3.29Å; N412-P418 WeakPolarHBondContact OD1-CA 3.28Å; N412-V419 PolarHBondContact OD1-N 3.47Å; N412-V419 PolarHBondContact OD1-O 2.88Å; N412-V419 VanDerWaalsContact OD1-O 3.14Å
413T84.2Confident85.3Confident125 Ų12567.6 Ų67.677%0.76737%0.373SS*.Hα-helixtrans-64.1-37.1177-48.90000112G409 L411G409-T413 PolarHBondContact O-N 3.34Å; G409-T413 PolarHBondContact O-OG1 3.14Å; L411-T413 PolarHBondContact O-N 2.97Å
414K86.1Confident85.4Confident163 Ų16367.2 Ų67.271%0.70937%0.372SS*.Hα-helixtrans-74.9-39.1-179.1-71.4175.3-177173.80112.9S410 L411 N412S410-K414 WeakPolarHBondContact O-CG 3.15Å; S410-K414 PolarHBondContact O-N 3.07Å; L411-K414 PolarHBondContact O-N 2.88Å; N412-K414 VanDerWaalsContact C-N 3.31Å; N412-K414 PolarHBondContact O-N 3.49Å
415H85.8Confident85.5Confident109 Ų10968.5 Ų68.551%0.50538%0.378SS..Hα-helixtrans-93.9-18.9-174.3-68.6-64.4000113.8L411 F417 V419L411-H415 PolarHBondContact O-CD2 2.93Å; L411-H415 VanDerWaalsContact O-CD2 3.25Å; L411-H415 PolarHBondContact O-N 2.88Å; H415-F417 WeakPolarHBondContact O-CD2 3.13Å; H415-F417 PolarHBondContact O-N 3.16Å; H415-V419 HydrophobicContact CB-CG2 3.95Å
416G80.2Confident85.8Confident62 Ų6266 Ų6664%0.63937%0.368SS*.SBendtrans74.15.6-177.300000114.2N412N412-G416 WeakPolarHBondContact O-CA 3.46Å; N412-G416 PolarHBondContact O-N 3.49Å
417F81.1Confident86.2Confident157 Ų15765 Ų6569%0.68936%0.36SS*.SBendtrans-135.7154.1178.1-65.3-79.6000109.4N412 H415 V419N412-F417 PolarHBondContact OD1-O 2.87Å; H415-F417 WeakPolarHBondContact O-CD2 3.13Å; H415-F417 PolarHBondContact O-N 3.16Å; F417-V419 PolarHBondContact O-N 3.45Å
418P83.1Confident86.8Confident100 Ų10058 Ų5865%0.64933%0.333SS*.  trans-67.696.4176.928-33.9000110.6N412N412-P418 VanDerWaalsContact OD1-CA 3.29Å; N412-P418 WeakPolarHBondContact OD1-CA 3.28Å
419V85.1Confident87.5Confident53 Ų5356.3 Ų56.332%0.32132%0.324SS..  trans-109123.5178.1179.20000108.9L411 N412 H415 F417L411-V419 HydrophobicContact CB-CB 4.47Å; N412-V419 PolarHBondContact OD1-N 3.47Å; N412-V419 PolarHBondContact OD1-O 2.88Å; N412-V419 VanDerWaalsContact OD1-O 3.14Å; H415-V419 HydrophobicContact CB-CG2 3.95Å; F417-V419 PolarHBondContact O-N 3.45Å
420F85.7Confident88.1Confident95 Ų9556.8 Ų56.842%0.41732%0.32SS..EExtended strand (participates in β ladder)trans-90.5141.2174.6-65.2-98.4000110.3H405 Y407H405-F420 HydrophobicContact CB-CB 4.18Å; H405-F420 AromaticContact CD2-CD1 3.68Å; H405-F420 AromaticContact CD2-CG 3.96Å; Y407-F420 HydrophobicContact CD2-CD1 4.21Å; Y407-F420 AromaticContact CD2-CE1 3.68Å; Y407-F420 HydrophobicContact CD2-CE1 3.68Å; Y407-F420 HydrophobicContact CD2-CZ 4.05Å; Y407-F420 HydrophobicContact CG-CE1 4.26Å
421A89.3Confident88.5Confident24 Ų2457.6 Ų57.620%0.19831%0.314CS..EExtended strand (participates in β ladder)trans-74.4147.216900000109.1H405 S406 D408 L411H405-A421 CarbonylContact C-O 3.59Å; H405-A421 WeakPolarHBondContact CA-O 3.38Å; S406-A421 PolarHBondContact N-O 3.32Å; S406-A421 PolarHBondContact O-N 3.04Å; D408-A421 HydrophobicContact CB-CB 4.35Å; L411-A421 HydrophobicContact CD1-CB 3.81Å
422T91.9Very high88.6Confident39 Ų3959.2 Ų59.224%0.23932%0.32CS..EExtended strand (participates in β ladder)trans-117.1132.2-17963.20000109.7K379 Y403 T404K379-T422 PolarHBondContact NZ-OG1 3.31Å; Y403-T422 HydrophobicContact CE1-CG2 4.48Å; Y403-T422 HydrophobicContact CE2-CG2 4.4Å; Y403-T422 VanDerWaalsContact OH-CB 3.32Å; Y403-T422 WeakPolarHBondContact OH-CB 3.42Å; Y403-T422 VanDerWaalsContact OH-CG2 3.26Å; Y403-T422 WeakPolarHBondContact OH-CG2 3.41Å; Y403-T422 PolarHBondContact OH-OG1 3.41Å; T404-T422 WeakPolarHBondContact O-CA 3.5Å
423V93.9Very high88.5Confident19 Ų1963.1 Ų63.112%0.11534%0.341CS..EExtended strand (participates in β ladder)trans-140140.1-178-177.20000109.3I382 T404I382-V423 HydrophobicContact CB-CG1 4.49Å; I382-V423 HydrophobicContact CD1-CG1 3.52Å; I382-V423 HydrophobicContact CG1-CG1 3.62Å; T404-V423 WeakPolarHBondContact CA-O 3.44Å; T404-V423 PolarHBondContact N-O 2.8Å; T404-V423 PolarHBondContact O-N 2.93Å; T404-V423 VanDerWaalsContact O-O 3.11Å; T404-V423 PolarHBondContact OG1-O 2.86Å
424I95.5Very high87.7Confident1 Ų160.2 Ų60.21%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-92.5121175.6-53167.1000108.7L281 I290 K379 D380 A381 I382 L399 V402 Y403 A426L281-I424 HydrophobicContact CD1-CD1 4.28Å; I290-I424 HydrophobicContact CD1-CD1 4.07Å; I290-I424 HydrophobicContact CD1-CG1 4.17Å; I290-I424 HydrophobicContact CD1-CG2 4.35Å; K379-I424 HydrophobicContact CB-CD1 4.35Å; D380-I424 PolarHBondContact O-N 2.86Å; A381-I424 CarbonylContact C-O 3.55Å; A381-I424 WeakPolarHBondContact CA-O 3.25Å; A381-I424 HydrophobicContact CB-CB 4.07Å; I382-I424 PolarHBondContact N-O 2.88Å; L399-I424 HydrophobicContact CD2-CB 4.23Å; L399-I424 HydrophobicContact CD2-CD1 4.47Å; L399-I424 HydrophobicContact CD2-CG2 3.41Å; L399-I424 VanDerWaalsContact CD2-CG2 3.41Å; V402-I424 WeakPolarHBondContact O-CA 3.45Å; Y403-I424 HydrophobicContact CD2-CG1 3.91Å; I424-A426 PolarHBondContact O-N 3.01Å
425L95.1Very high86.4Confident35 Ų3558.9 Ų58.918%0.18332%0.315CS..EExtended strand (participates in β ladder)trans-84.7109.8170.8-59.5-172.2000108.1I382 G401 V402 T404 N427I382-L425 HydrophobicContact CB-CD2 3.98Å; I382-L425 HydrophobicContact CD1-CD2 3.85Å; I382-L425 HydrophobicContact CG1-CD2 4.41Å; G401-L425 CarbonylContact C-O 3.55Å; G401-L425 WeakPolarHBondContact CA-O 3.08Å; V402-L425 PolarHBondContact N-O 3.33Å; V402-L425 PolarHBondContact O-N 2.86Å; T404-L425 HydrophobicContact CG2-CD1 3.72Å; T404-L425 HydrophobicContact CG2-CG 3.84Å; L425-N427 PolarHBondContact O-N 3.4Å
426A96.2Very high84.8Confident8 Ų859.9 Ų59.97%0.06633%0.328CS..EExtended strand (participates in β ladder)trans-70.3128.5-176.100000110.4I382 L383 L387 L399 I424 V429I382-A426 WeakPolarHBondContact O-CB 3.5Å; I382-A426 PolarHBondContact O-N 2.93Å; L383-A426 HydrophobicContact CD2-CB 3.37Å; L387-A426 HydrophobicContact CD1-CB 4.21Å; L399-A426 HydrophobicContact CD1-CB 3.97Å; L399-A426 HydrophobicContact CG-CB 4.28Å; I424-A426 PolarHBondContact O-N 3.01Å; A426-V429 HydrophobicContact CB-CG2 4.36Å
427N95.3Very high83.5Confident14 Ų1459.4 Ų59.48%0.07532%0.319CS..EExtended strand (participates in β ladder)trans-94.4-37.9165.8-173.234.8000111L240 V267 R268 I269 L387 T400 L425L240-N427 HydrophobicContact CD1-CB 4.42Å; V267-N427 PolarHBondContact O-ND2 3.18Å; V267-N427 VanDerWaalsContact O-ND2 3.16Å; V267-N427 PolarHBondContact O-OD1 2.82Å; V267-N427 VanDerWaalsContact O-OD1 3.13Å; R268-N427 WeakPolarHBondContact CD-O 3.46Å; R268-N427 PolarHBondContact NE-O 2.79Å; R268-N427 PolarHBondContact NH1-O 2.85Å; R268-N427 PolarHBondContact NH1-OD1 2.79Å; I269-N427 PolarHBondContact N-ND2 3.23Å; L387-N427 WeakPolarHBondContact CD1-O 3.42Å; T400-N427 WeakPolarHBondContact O-CA 3.5Å; T400-N427 PolarHBondContact O-N 2.62Å; L425-N427 PolarHBondContact O-N 3.4Å
428N94.7Very high82.1Confident4 Ų457.4 Ų57.42%0.02132%0.319CS..EExtended strand (participates in β ladder)trans-150.1145.1-178.2-177.840000110.9R268 I269 N270 T400R268-N428 HydrophobicContact CB-CB 4.23Å; I269-N428 WeakPolarHBondContact O-CB 3.5Å; I269-N428 PolarHBondContact O-ND2 3.26Å; N270-N428 PolarHBondContact OD1-ND2 3.35Å; T400-N428 PolarHBondContact N-O 3.32Å; T400-N428 PolarHBondContact O-N 3.21Å
429V94.1Very high81Confident20 Ų2055.8 Ų55.812%0.12132%0.321CS..EExtended strand (participates in β ladder)trans-129.4119.6-179.4-178.80000108.4L383 I397 L399 A426L383-V429 HydrophobicContact CD2-CG2 3.73Å; I397-V429 HydrophobicContact CB-CG1 4.2Å; I397-V429 HydrophobicContact CD1-CG1 4.07Å; I397-V429 HydrophobicContact CG2-CG1 4.28Å; L399-V429 HydrophobicContact CD1-CG2 4.26Å; A426-V429 HydrophobicContact CB-CG2 4.36Å
430V91.6Very high79.8Confident45 Ų4559.2 Ų59.227%0.27334%0.342SS..EExtended strand (participates in β ladder)trans-115118.4175.1-179.90000108E398E398-V430 HydrophobicContact CB-CB 4.4Å; E398-V430 PolarHBondContact N-O 3.3Å; E398-V430 PolarHBondContact O-N 3.49Å
431R90.8Very high79Confident74 Ų7458.2 Ų58.228%0.27934%0.34SS..EExtended strand (participates in β ladder)trans-76.1134.6171.7-63.8-176.7-68.4179.53.4108.6S390 I397 D433 D434S390-R431 WeakPolarHBondContact O-CD 3.34Å; I397-R431 HydrophobicContact CG2-CG 4.09Å; R431-D433 VanDerWaalsContact C-N 3.26Å; R431-D433 PolarHBondContact O-N 3.39Å; R431-D434 HydrophobicContact CB-CB 4.12Å; R431-D434 IonicContact CZ-OD1 3.86Å; R431-D434 IonicContact CZ-OD2 3.21Å; R431-D434 VanDerWaalsContact NE-CG 3.32Å; R431-D434 IonicContact NE-OD1 2.7Å; R431-D434 PolarHBondContact NE-OD1 2.72Å; R431-D434 IonicContact NE-OD2 3.75Å; R431-D434 PolarHBondContact NE-OD2 2.85Å; R431-D434 IonicContact NH2-OD1 3.08Å; R431-D434 PolarHBondContact NH2-OD1 3.22Å; R431-D434 IonicContact NH2-OD2 3.68Å; R431-D434 PolarHBondContact NH2-OD2 3.31Å; R431-D434 PolarHBondContact O-N 2.81Å
432K82.9Confident78.3Confident72 Ų7260.3 Ų60.331%0.31335%0.351SS..SBendtrans-65.7-34.2178-70.5-170.3-168.3163.30112.2E396 D434 K435E396-K432 HydrophobicContact CB-CB 4.34Å; E396-K432 HydrophobicContact CB-CD 4.11Å; E396-K432 HydrophobicContact CB-CG 4.38Å; E396-K432 PolarHBondContact O-N 3.4Å; E396-K432 IonicContact OE2-NZ 3.99Å; E396-K432 PolarHBondContact OE2-NZ 3.01Å; K432-D434 PolarHBondContact O-N 2.89Å; K432-K435 PolarHBondContact O-N 3.22Å
433D75.6Confident77.7Confident107 Ų10763.7 Ų63.757%0.57237%0.367SS*.G310 helixtrans-66.4-28.5178.9-60.8-25.2000111.9R431 K435 V436R431-D433 VanDerWaalsContact C-N 3.26Å; R431-D433 PolarHBondContact O-N 3.39Å; D433-K435 PolarHBondContact O-N 3.31Å; D433-V436 PolarHBondContact O-N 3.23Å
434D68.4Low77.2Confident64 Ų6466.2 Ų66.234%0.34238%0.378SS..G310 helixtrans-71.7-14.5178.5-77.3-8.6000113.4R431 K432 V436 A437R431-D434 HydrophobicContact CB-CB 4.12Å; R431-D434 IonicContact CZ-OD1 3.86Å; R431-D434 IonicContact CZ-OD2 3.21Å; R431-D434 VanDerWaalsContact NE-CG 3.32Å; R431-D434 IonicContact NE-OD1 2.7Å; R431-D434 PolarHBondContact NE-OD1 2.72Å; R431-D434 IonicContact NE-OD2 3.75Å; R431-D434 PolarHBondContact NE-OD2 2.85Å; R431-D434 IonicContact NH2-OD1 3.08Å; R431-D434 PolarHBondContact NH2-OD1 3.22Å; R431-D434 IonicContact NH2-OD2 3.68Å; R431-D434 PolarHBondContact NH2-OD2 3.31Å; R431-D434 PolarHBondContact O-N 2.81Å; K432-D434 PolarHBondContact O-N 2.89Å; D434-V436 PolarHBondContact O-N 3.06Å; D434-A437 WeakPolarHBondContact O-CB 3.45Å; D434-A437 PolarHBondContact O-N 2.78Å
435K57.9Low76.7Confident134 Ų13469.6 Ų69.658%0.58340%0.396SS*.G310 helixtrans-61.7-13.6173.9-65-171.1-178.4-174.20112.2E398 K432 D433E398-K435 IonicContact OE2-NZ 3.79Å; K432-K435 PolarHBondContact O-N 3.22Å; D433-K435 PolarHBondContact O-N 3.31Å
436V52.5Low76.3Confident130 Ų13070.7 Ų70.779%0.78840%0.404SS*.G310 helixtrans-93.7-15.4173.9-171.80000112.3D433 D434 V438D433-V436 PolarHBondContact O-N 3.23Å; D434-V436 PolarHBondContact O-N 3.06Å; V436-V438 PolarHBondContact O-N 2.92Å
437A52.8Low76Confident53 Ų5376.7 Ų76.744%0.43843%0.425SS..SBendtrans-83.1104.6-176.100000111.5D434 G439D434-A437 WeakPolarHBondContact O-CB 3.45Å; D434-A437 PolarHBondContact O-N 2.78Å; A437-G439 PolarHBondContact O-N 3.15Å
438V52.9Low75.7Confident114 Ų11478.3 Ų78.369%0.69144%0.441SS*.SBendtrans18.5-30.6147.8-174.30000120.6V436 T440 L441V436-V438 PolarHBondContact O-N 2.92Å; V438-T440 VanDerWaalsContact C-N 3.31Å; V438-T440 PolarHBondContact O-N 2.86Å; V438-L441 HydrophobicContact CB-CD1 4.27Å; V438-L441 HydrophobicContact CG1-CD1 3.9Å; V438-L441 PolarHBondContact O-N 2.98Å
439G58Low75.5Confident67 Ų6782.5 Ų82.569%0.69146%0.462SS*.THydrogen-bonded Turntrans-69-15.4-171.300000116.6A437A437-G439 PolarHBondContact O-N 3.15Å
440T61.6Low75.4Confident125 Ų12586 Ų8677%0.76748%0.479SS*.THydrogen-bonded Turntrans-107.810175.352.40000113.6V438 T442V438-T440 VanDerWaalsContact C-N 3.31Å; V438-T440 PolarHBondContact O-N 2.86Å; T440-T442 PolarHBondContact O-N 3.4Å; T440-T442 VanDerWaalsContact O-N 3.12Å
441L68.7Low75.5Confident74 Ų7491.9 Ų91.939%0.38750%0.501SS..  trans-61.3119.4174.1-77.9162.1000108.8V438 D445 I449V438-L441 HydrophobicContact CB-CD1 4.27Å; V438-L441 HydrophobicContact CG1-CD1 3.9Å; V438-L441 PolarHBondContact O-N 2.98Å; L441-D445 HydrophobicContact CB-CB 4.48Å; L441-D445 HydrophobicContact CD2-CB 3.66Å; L441-I449 HydrophobicContact CD2-CD1 3.96Å
442T73.2Confident75.5Confident67 Ų6792 Ų9241%0.41151%0.507SS..  trans-68.8160173.8650000109.7T440 E444 D445 T446T440-T442 PolarHBondContact O-N 3.4Å; T440-T442 VanDerWaalsContact O-N 3.12Å; T442-E444 PolarHBondContact O-N 2.85Å; T442-E444 VanDerWaalsContact O-N 3.15Å; T442-D445 WeakPolarHBondContact CB-OD2 3.41Å; T442-D445 PolarHBondContact N-OD2 2.88Å; T442-D445 PolarHBondContact O-N 3.07Å; T442-D445 VanDerWaalsContact O-N 3.11Å; T442-D445 PolarHBondContact OG1-N 2.92Å; T442-D445 PolarHBondContact OG1-OD2 2.95Å; T442-T446 PolarHBondContact O-N 2.81Å; T442-T446 PolarHBondContact O-OG1 2.98Å
443D79.9Confident75.9Confident110 Ų11092 Ų9259%0.58852%0.516SS*.Hα-helixtrans-58.1-27.5172.1-73.5-13.3000111.8R447D443-R447 WeakPolarHBondContact O-CB 3.38Å; D443-R447 VanDerWaalsContact O-CG 3.25Å; D443-R447 WeakPolarHBondContact O-CG 3.4Å; D443-R447 PolarHBondContact O-N 3.42Å; D443-R447 PolarHBondContact O-NE 2.97Å; D443-R447 VanDerWaalsContact O-NE 3.13Å
444E83.7Confident76.6Confident72 Ų7296.9 Ų96.934%0.33653%0.526SS..Hα-helixtrans-72.2-43.5176.2-72.3167.7-152.700111.7R196 T442 T446 R447 A448R196-E444 IonicContact CZ-OE1 3.97Å; R196-E444 IonicContact NH1-OE1 3.64Å; R196-E444 PolarHBondContact NH1-OE1 2.9Å; R196-E444 IonicContact NH2-OE1 3.1Å; R196-E444 PolarHBondContact NH2-OE1 3.01Å; T442-E444 PolarHBondContact O-N 2.85Å; T442-E444 VanDerWaalsContact O-N 3.15Å; E444-T446 VanDerWaalsContact C-N 3.31Å; E444-T446 PolarHBondContact O-N 3.21Å; E444-R447 PolarHBondContact O-N 3.01Å; E444-A448 WeakPolarHBondContact O-CB 3.38Å; E444-A448 PolarHBondContact O-N 2.98Å
445D84.6Confident77.8Confident72 Ų7296 Ų9639%0.38552%0.522SS..Hα-helixtrans-60.3-44.7173.3-61.7-43.6000110.7L441 T442 R447 A448 I449L441-D445 HydrophobicContact CB-CB 4.48Å; L441-D445 HydrophobicContact CD2-CB 3.66Å; T442-D445 WeakPolarHBondContact CB-OD2 3.41Å; T442-D445 PolarHBondContact N-OD2 2.88Å; T442-D445 PolarHBondContact O-N 3.07Å; T442-D445 VanDerWaalsContact O-N 3.11Å; T442-D445 PolarHBondContact OG1-N 2.92Å; T442-D445 PolarHBondContact OG1-OD2 2.95Å; D445-R447 VanDerWaalsContact C-N 3.34Å; D445-R447 PolarHBondContact O-N 2.8Å; D445-A448 PolarHBondContact O-N 2.87Å; D445-I449 VanDerWaalsContact O-CG1 3.23Å; D445-I449 WeakPolarHBondContact O-CG1 3.4Å; D445-I449 PolarHBondContact O-N 3.4Å
446T86.1Confident79.5Confident59 Ų5999.1 Ų99.136%0.36254%0.538SS..Hα-helixtrans-61.3-44177.3-56.60000111T442 E444 A448 I449 L450T442-T446 PolarHBondContact O-N 2.81Å; T442-T446 PolarHBondContact O-OG1 2.98Å; E444-T446 VanDerWaalsContact C-N 3.31Å; E444-T446 PolarHBondContact O-N 3.21Å; T446-A448 PolarHBondContact O-N 3.4Å; T446-I449 PolarHBondContact O-N 2.87Å; T446-L450 HydrophobicContact CG2-CD1 4.36Å; T446-L450 VanDerWaalsContact O-CG 3.32Å; T446-L450 WeakPolarHBondContact O-CG 3.34Å; T446-L450 PolarHBondContact O-N 3.37Å
447R90.1Very high81.3Confident134 Ų134101.1 Ų101.151%0.50653%0.532SS..Hα-helixtrans-62.5-40.5174.4-80.2178.4-100.9145.5-10.6112.2D443 E444 D445 L450 K451D443-R447 WeakPolarHBondContact O-CB 3.38Å; D443-R447 VanDerWaalsContact O-CG 3.25Å; D443-R447 WeakPolarHBondContact O-CG 3.4Å; D443-R447 PolarHBondContact O-N 3.42Å; D443-R447 PolarHBondContact O-NE 2.97Å; D443-R447 VanDerWaalsContact O-NE 3.13Å; E444-R447 PolarHBondContact O-N 3.01Å; D445-R447 VanDerWaalsContact C-N 3.34Å; D445-R447 PolarHBondContact O-N 2.8Å; R447-L450 PolarHBondContact O-N 3.31Å; R447-K451 WeakPolarHBondContact O-CB 3.45Å; R447-K451 PolarHBondContact O-N 3.19Å
448A90.3Very high83.2Confident48 Ų48101 Ų10140%0.39752%0.523SS..Hα-helixtrans-65.3-43.7177.200000111.6E444 D445 T446 L450 K451 L452E444-A448 WeakPolarHBondContact O-CB 3.38Å; E444-A448 PolarHBondContact O-N 2.98Å; D445-A448 PolarHBondContact O-N 2.87Å; T446-A448 PolarHBondContact O-N 3.4Å; A448-L450 PolarHBondContact O-N 3.07Å; A448-K451 PolarHBondContact O-N 3.33Å; A448-L452 WeakPolarHBondContact O-CB 3.32Å; A448-L452 WeakPolarHBondContact O-CG 3.18Å; A448-L452 PolarHBondContact O-N 3.05Å
449I89.2Confident85Confident92 Ų9296.8 Ų96.847%0.47250%0.503SS..Hα-helixtrans-59.7-47174.7-68163.8000110.1L441 D445 T446 K451 L452 S453L441-I449 HydrophobicContact CD2-CD1 3.96Å; D445-I449 VanDerWaalsContact O-CG1 3.23Å; D445-I449 WeakPolarHBondContact O-CG1 3.4Å; D445-I449 PolarHBondContact O-N 3.4Å; T446-I449 PolarHBondContact O-N 2.87Å; I449-K451 VanDerWaalsContact C-N 3.33Å; I449-K451 PolarHBondContact O-N 3.33Å; I449-L452 PolarHBondContact O-N 2.77Å; I449-S453 WeakPolarHBondContact O-CB 3.35Å; I449-S453 PolarHBondContact O-N 3.35Å
450L92.3Very high86.6Confident92 Ų9298.9 Ų98.948%0.48250%0.498SS..Hα-helixtrans-61.8-40.5177.2-72.7171.9000112T446 R447 A448 S453 R454T446-L450 HydrophobicContact CG2-CD1 4.36Å; T446-L450 VanDerWaalsContact O-CG 3.32Å; T446-L450 WeakPolarHBondContact O-CG 3.34Å; T446-L450 PolarHBondContact O-N 3.37Å; R447-L450 PolarHBondContact O-N 3.31Å; A448-L450 PolarHBondContact O-N 3.07Å; L450-S453 PolarHBondContact O-N 3.14Å; L450-S453 PolarHBondContact O-OG 2.95Å; L450-R454 WeakPolarHBondContact O-CG 3.09Å
451K93.3Very high88Confident170 Ų17098.8 Ų98.874%0.73948%0.484SS*.Hα-helixtrans-64.1-42.4175.8-172.4178.4179.8-179.90111.9R447 A448 I449R447-K451 WeakPolarHBondContact O-CB 3.45Å; R447-K451 PolarHBondContact O-N 3.19Å; A448-K451 PolarHBondContact O-N 3.33Å; I449-K451 VanDerWaalsContact C-N 3.33Å; I449-K451 PolarHBondContact O-N 3.33Å
452L91.2Very high89.2Confident77 Ų7797.5 Ų97.540%0.40348%0.477SS..Hα-helixtrans-69-35.5177.6-72.5170.5000112.5A448 I449 R454 D455 I458A448-L452 WeakPolarHBondContact O-CB 3.32Å; A448-L452 WeakPolarHBondContact O-CG 3.18Å; A448-L452 PolarHBondContact O-N 3.05Å; I449-L452 PolarHBondContact O-N 2.77Å; L452-R454 PolarHBondContact O-N 3.27Å; L452-D455 WeakPolarHBondContact O-CB 3.4Å; L452-D455 PolarHBondContact O-N 3.12Å; L452-D455 VanDerWaalsContact O-N 3.09Å; L452-I458 HydrophobicContact CB-CD1 4.36Å
453S90.7Very high90.1Very high70 Ų7096.1 Ų96.149%0.4947%0.465SS..Hα-helixtrans-62.9-22.3179.574.10000113.7I449 L450I449-S453 WeakPolarHBondContact O-CB 3.35Å; I449-S453 PolarHBondContact O-N 3.35Å; L450-S453 PolarHBondContact O-N 3.14Å; L450-S453 PolarHBondContact O-OG 2.95Å
454R92Very high90.7Very high211 Ų21193.6 Ų93.680%0.79646%0.46SS*.THydrogen-bonded Turntrans-84.2-7.8178.2-64.9176-175-174.60.9113.6L450 L452 E456L450-R454 WeakPolarHBondContact O-CG 3.09Å; L452-R454 PolarHBondContact O-N 3.27Å; R454-E456 PolarHBondContact O-N 3.04Å
455D93.2Very high91.1Very high46 Ų4693.7 Ų93.725%0.24647%0.469CS..  trans-72120.1176.1-173.3-7.3000109.6L452 R457 I458 R461L452-D455 WeakPolarHBondContact O-CB 3.4Å; L452-D455 PolarHBondContact O-N 3.12Å; L452-D455 VanDerWaalsContact O-N 3.09Å; D455-R457 PolarHBondContact O-N 3.37Å; D455-R457 VanDerWaalsContact O-N 3.11Å; D455-R457 PolarHBondContact OD1-N 3.49Å; D455-R457 VanDerWaalsContact OD1-N 3.13Å; D455-I458 HydrophobicContact CB-CB 4.42Å; D455-I458 VanDerWaalsContact O-CB 3.25Å; D455-I458 WeakPolarHBondContact O-CB 3.44Å; D455-I458 VanDerWaalsContact O-CG2 3.29Å; D455-I458 WeakPolarHBondContact O-CG2 3.38Å; D455-I458 PolarHBondContact O-N 3.15Å; D455-R461 WeakPolarHBondContact OD2-CD 3.34Å; D455-R461 IonicContact OD2-CZ 3.59Å; D455-R461 IonicContact OD2-NH1 2.69Å; D455-R461 PolarHBondContact OD2-NH1 3.31Å
456E92.7Very high91.5Very high199 Ų19992 Ų9293%0.9346%0.459SS*.THydrogen-bonded Turntrans-58.2-26.8180-64.8-178.8169.500112.6R454R454-E456 PolarHBondContact O-N 3.04Å
457R91.4Very high91.8Very high172 Ų17291.4 Ų91.465%0.64946%0.46SS*.THydrogen-bonded Turntrans-95.114.8179.8-61.4-174.8-62.6173.70.3113.5D455 G459 D460 R461D455-R457 PolarHBondContact O-N 3.37Å; D455-R457 VanDerWaalsContact O-N 3.11Å; D455-R457 PolarHBondContact OD1-N 3.49Å; D455-R457 VanDerWaalsContact OD1-N 3.13Å; R457-G459 PolarHBondContact O-N 2.84Å; R457-D460 PolarHBondContact O-N 2.78Å; R457-R461 WeakPolarHBondContact O-CG 3.27Å; R457-R461 PolarHBondContact O-N 3.43Å; R457-R461 VanDerWaalsContact O-N 3.15Å
458I91.8Very high92Very high49 Ų4990 Ų9025%0.25147%0.468SS..Hα-helixtrans-58.8-35.6-176.4-16858.8000112.7L452 D455 R461 I462L452-I458 HydrophobicContact CB-CD1 4.36Å; D455-I458 HydrophobicContact CB-CB 4.42Å; D455-I458 VanDerWaalsContact O-CB 3.25Å; D455-I458 WeakPolarHBondContact O-CB 3.44Å; D455-I458 VanDerWaalsContact O-CG2 3.29Å; D455-I458 WeakPolarHBondContact O-CG2 3.38Å; D455-I458 PolarHBondContact O-N 3.15Å; I458-R461 PolarHBondContact O-N 3.2Å; I458-I462 HydrophobicContact CG1-CD1 4.03Å; I458-I462 HydrophobicContact CG1-CG1 4.43Å; I458-I462 VanDerWaalsContact O-CG1 3.3Å; I458-I462 WeakPolarHBondContact O-CG1 3.42Å; I458-I462 PolarHBondContact O-N 2.88Å
459G91Very high92.2Very high27 Ų2793.1 Ų93.128%0.27849%0.487SS..Hα-helixtrans-59-51.5177.400000112.4R457 R461 I462 F463R457-G459 PolarHBondContact O-N 2.84Å; G459-R461 VanDerWaalsContact C-N 3.29Å; G459-R461 PolarHBondContact O-N 2.9Å; G459-I462 WeakPolarHBondContact O-CB 3.36Å; G459-I462 PolarHBondContact O-N 3.39Å; G459-F463 WeakPolarHBondContact O-CD2 3.29Å; G459-F463 WeakPolarHBondContact O-CE2 3.04Å; G459-F463 WeakPolarHBondContact O-CG 3.34Å; G459-F463 PolarHBondContact O-N 2.85Å
460D91.4Very high92.4Very high110 Ų11092 Ų9259%0.58848%0.484SS*.Hα-helixtrans-63.9-36.4178.8-63.4-30.2000111.9R457 F463 A464R457-D460 PolarHBondContact O-N 2.78Å; D460-F463 PolarHBondContact O-N 2.84Å; D460-A464 WeakPolarHBondContact O-CB 3.42Å; D460-A464 PolarHBondContact O-N 2.66Å
461R92.2Very high92.3Very high124 Ų12498.4 Ų98.447%0.46850%0.504SS..Hα-helixtrans-63.9-40.9175.2-68.8179.166.1-175.7-3.1112D455 R457 I458 G459 S465D455-R461 WeakPolarHBondContact OD2-CD 3.34Å; D455-R461 IonicContact OD2-CZ 3.59Å; D455-R461 IonicContact OD2-NH1 2.69Å; D455-R461 PolarHBondContact OD2-NH1 3.31Å; R457-R461 WeakPolarHBondContact O-CG 3.27Å; R457-R461 PolarHBondContact O-N 3.43Å; R457-R461 VanDerWaalsContact O-N 3.15Å; I458-R461 PolarHBondContact O-N 3.2Å; G459-R461 VanDerWaalsContact C-N 3.29Å; G459-R461 PolarHBondContact O-N 2.9Å; R461-S465 PolarHBondContact O-N 3.35Å; R461-S465 VanDerWaalsContact O-N 3.11Å
462I92.9Very high92.3Very high46 Ų4691.4 Ų91.424%0.23648%0.479CS..Hα-helixtrans-64.7-46.8175.2-71.4169000109.9I458 G459 A464 S465 I466 A481 F485I458-I462 HydrophobicContact CG1-CD1 4.03Å; I458-I462 HydrophobicContact CG1-CG1 4.43Å; I458-I462 VanDerWaalsContact O-CG1 3.3Å; I458-I462 WeakPolarHBondContact O-CG1 3.42Å; I458-I462 PolarHBondContact O-N 2.88Å; G459-I462 WeakPolarHBondContact O-CB 3.36Å; G459-I462 PolarHBondContact O-N 3.39Å; I462-A464 VanDerWaalsContact C-N 3.33Å; I462-A464 PolarHBondContact O-N 2.95Å; I462-S465 WeakPolarHBondContact O-CA 3.36Å; I462-S465 WeakPolarHBondContact O-CB 2.97Å; I462-S465 PolarHBondContact O-N 3.25Å; I462-S465 PolarHBondContact O-OG 2.79Å; I462-I466 PolarHBondContact O-N 3.43Å; I462-A481 HydrophobicContact CG2-CB 4.33Å; I462-F485 HydrophobicContact CD1-CE2 4.39Å; I462-F485 HydrophobicContact CD1-CZ 4.24Å; I462-F485 HydrophobicContact CG2-CE2 3.75Å; I462-F485 HydrophobicContact CG2-CZ 4.34Å
463F93Very high92.3Very high38 Ų3893.5 Ų93.517%0.16749%0.487CS..Hα-helixtrans-62.4-41-179.9-54.8-31.6000112.1G459 D460 S465 I466 R478 A481G459-F463 WeakPolarHBondContact O-CD2 3.29Å; G459-F463 WeakPolarHBondContact O-CE2 3.04Å; G459-F463 WeakPolarHBondContact O-CG 3.34Å; G459-F463 PolarHBondContact O-N 2.85Å; D460-F463 PolarHBondContact O-N 2.84Å; F463-S465 PolarHBondContact O-N 3.44Å; F463-I466 PolarHBondContact O-N 2.84Å; F463-R478 HydrophobicContact CD1-CB 4.25Å; F463-R478 HydrophobicContact CD1-CG 4.24Å; F463-R478 HydrophobicContact CD2-CB 4.33Å; F463-R478 HydrophobicContact CD2-CG 4.17Å; F463-R478 HydrophobicContact CE1-CB 4.4Å; F463-R478 HydrophobicContact CE1-CG 3.9Å; F463-R478 HydrophobicContact CE2-CB 4.48Å; F463-R478 HydrophobicContact CE2-CG 3.83Å; F463-R478 HydrophobicContact CG-CB 4.23Å; F463-R478 HydrophobicContact CG-CG 4.38Å; F463-R478 HydrophobicContact CZ-CG 3.69Å; F463-A481 HydrophobicContact CD1-CB 3.48Å; F463-A481 VanDerWaalsContact CD1-CB 3.48Å; F463-A481 HydrophobicContact CE1-CB 3.68Å
464A91.7Very high92.4Very high58 Ų5895 Ų9548%0.47949%0.486SS..Hα-helixtrans-64.6-25.617400000113.2D460 I462D460-A464 WeakPolarHBondContact O-CB 3.42Å; D460-A464 PolarHBondContact O-N 2.66Å; I462-A464 VanDerWaalsContact C-N 3.33Å; I462-A464 PolarHBondContact O-N 2.95Å
465S92.9Very high92.4Very high74 Ų7491.4 Ų91.452%0.51748%0.483SS..Hα-helixtrans-78.2-17.917779.10000113.9R461 I462 F463 A467R461-S465 PolarHBondContact O-N 3.35Å; R461-S465 VanDerWaalsContact O-N 3.11Å; I462-S465 WeakPolarHBondContact O-CA 3.36Å; I462-S465 WeakPolarHBondContact O-CB 2.97Å; I462-S465 PolarHBondContact O-N 3.25Å; I462-S465 PolarHBondContact O-OG 2.79Å; F463-S465 PolarHBondContact O-N 3.44Å; S465-A467 PolarHBondContact O-N 3.14Å
466I93.3Very high92.4Very high36 Ų3693.6 Ų93.619%0.18549%0.494CS..SBendtrans-80.5119.8176.4-59.6-58.2000109.7I462 F463 K477 I480 A481I462-I466 PolarHBondContact O-N 3.43Å; F463-I466 PolarHBondContact O-N 2.84Å; I466-K477 WeakPolarHBondContact O-CD 3.45Å; I466-K477 WeakPolarHBondContact O-CE 3.15Å; I466-I480 HydrophobicContact CG2-CB 4.41Å; I466-I480 HydrophobicContact CG2-CG2 4.01Å; I466-A481 HydrophobicContact CG1-CB 4.06Å
467A92Very high92.5Very high46 Ų4684.8 Ų84.838%0.3845%0.452SS..SBendtrans48.662.9-179.900000113.1S465 S469 V470 K477S465-A467 PolarHBondContact O-N 3.14Å; A467-S469 PolarHBondContact O-N 3.49Å; A467-S469 VanDerWaalsContact O-N 3.14Å; A467-V470 HydrophobicContact CB-CG2 4.38Å; A467-V470 PolarHBondContact O-N 3.37Å; A467-V470 VanDerWaalsContact O-N 3.07Å; A467-K477 PolarHBondContact O-NZ 2.74Å
468P93.7Very high92.5Very high104 Ų10483 Ų8368%0.67545%0.446SS*.THydrogen-bonded Turntrans-65.1-19.3-176.328-35.6000113.1V470P468-V470 VanDerWaalsContact C-N 3.29Å; P468-V470 PolarHBondContact O-N 2.88Å
469S94.4Very high92.5Very high114 Ų11481.7 Ų81.780%0.79744%0.444SS*.THydrogen-bonded Turntrans-73.9-16175.7540000114.1A467A467-S469 PolarHBondContact O-N 3.49Å; A467-S469 VanDerWaalsContact O-N 3.14Å
470V92.8Very high92.6Very high68 Ų6884 Ų8441%0.41245%0.449SS..SBendtrans-99.7116.4178.6-179.10000108.8A467 P468 K477A467-V470 HydrophobicContact CB-CG2 4.38Å; A467-V470 PolarHBondContact O-N 3.37Å; A467-V470 VanDerWaalsContact O-N 3.07Å; P468-V470 VanDerWaalsContact C-N 3.29Å; P468-V470 PolarHBondContact O-N 2.88Å; V470-K477 WeakPolarHBondContact O-CE 3.42Å; V470-K477 PolarHBondContact O-NZ 3.26Å
471Y92.1Very high92.7Very high228 Ų22878.8 Ų78.889%0.89442%0.421SS*.  trans-74.8134.4174-179.5-100.7000110.9
472G91.6Very high92.7Very high22 Ų2277.3 Ų77.323%0.22742%0.422CS..SBendtrans79.2-156.7178.800000114.5E474 K477G472-E474 VanDerWaalsContact C-N 3.33Å; G472-E474 PolarHBondContact O-N 2.98Å; G472-K477 WeakPolarHBondContact O-CE 3.26Å
473H92.5Very high92.6Very high122 Ų12276.6 Ų76.657%0.56542%0.423SS*.  trans56.538.4-177.5-61.3-71.1000114.9D475 I476 K477H473-D475 VanDerWaalsContact C-N 3.26Å; H473-D475 PolarHBondContact O-N 3.27Å; H473-I476 HydrophobicContact CB-CB 4.24Å; H473-I476 HydrophobicContact CB-CD1 4.12Å; H473-I476 HydrophobicContact CB-CG1 4.36Å; H473-I476 PolarHBondContact O-N 3.49Å; H473-K477 PolarHBondContact O-N 2.75Å
474E92.4Very high92.5Very high101 Ų10181.1 Ų81.147%0.47245%0.449SS..Hα-helixtrans-55.3-38.5-177.6-59.8-55.5145.700113G472 I476 K477 R478G472-E474 VanDerWaalsContact C-N 3.33Å; G472-E474 PolarHBondContact O-N 2.98Å; E474-I476 VanDerWaalsContact C-N 3.34Å; E474-I476 PolarHBondContact O-N 3.46Å; E474-K477 PolarHBondContact O-N 3.06Å; E474-R478 VanDerWaalsContact O-CB 3.28Å; E474-R478 WeakPolarHBondContact O-CB 3.45Å; E474-R478 PolarHBondContact O-N 3.25Å
475D92.7Very high92.4Very high135 Ų13585.4 Ų85.472%0.72246%0.457SS*.Hα-helixtrans-63-39.2177.3-63.1-41.8000112.4H473 G479H473-D475 VanDerWaalsContact C-N 3.26Å; H473-D475 PolarHBondContact O-N 3.27Å; D475-G479 PolarHBondContact O-N 3.4Å
476I93Very high92.1Very high92 Ų9283.4 Ų83.447%0.47245%0.447SS..Hα-helixtrans-71.7-44.8178.5-57.4179.1000109.7H473 E474 R478 G479 I480H473-I476 HydrophobicContact CB-CB 4.24Å; H473-I476 HydrophobicContact CB-CD1 4.12Å; H473-I476 HydrophobicContact CB-CG1 4.36Å; H473-I476 PolarHBondContact O-N 3.49Å; E474-I476 VanDerWaalsContact C-N 3.34Å; E474-I476 PolarHBondContact O-N 3.46Å; I476-R478 VanDerWaalsContact C-N 3.29Å; I476-R478 PolarHBondContact O-N 2.96Å; I476-G479 PolarHBondContact O-N 3.44Å; I476-G479 VanDerWaalsContact O-N 3.15Å; I476-I480 HydrophobicContact CG2-CD1 3.93Å; I476-I480 HydrophobicContact CG2-CG1 4.43Å; I476-I480 WeakPolarHBondContact O-CG1 3.29Å; I476-I480 PolarHBondContact O-N 2.9Å
477K93.7Very high91.7Very high15 Ų1583.8 Ų83.87%0.06546%0.46CS..Hα-helixtrans-59.1-42.1176.4-70.4-179177.9-175.90111.6I466 A467 V470 G472 H473 E474 I480 A481I466-K477 WeakPolarHBondContact O-CD 3.45Å; I466-K477 WeakPolarHBondContact O-CE 3.15Å; A467-K477 PolarHBondContact O-NZ 2.74Å; V470-K477 WeakPolarHBondContact O-CE 3.42Å; V470-K477 PolarHBondContact O-NZ 3.26Å; G472-K477 WeakPolarHBondContact O-CE 3.26Å; H473-K477 PolarHBondContact O-N 2.75Å; E474-K477 PolarHBondContact O-N 3.06Å; K477-I480 PolarHBondContact O-N 3.44Å; K477-A481 WeakPolarHBondContact O-CB 3.41Å; K477-A481 PolarHBondContact O-N 3.12Å
478R92.2Very high91.3Very high135 Ų13589 Ų8951%0.50948%0.477SS..Hα-helixtrans-62.7-45174.1-178.7174.2128.3-171.1-3.2111.8F463 E474 I476 I480 A481 L482F463-R478 HydrophobicContact CD1-CB 4.25Å; F463-R478 HydrophobicContact CD1-CG 4.24Å; F463-R478 HydrophobicContact CD2-CB 4.33Å; F463-R478 HydrophobicContact CD2-CG 4.17Å; F463-R478 HydrophobicContact CE1-CB 4.4Å; F463-R478 HydrophobicContact CE1-CG 3.9Å; F463-R478 HydrophobicContact CE2-CB 4.48Å; F463-R478 HydrophobicContact CE2-CG 3.83Å; F463-R478 HydrophobicContact CG-CB 4.23Å; F463-R478 HydrophobicContact CG-CG 4.38Å; F463-R478 HydrophobicContact CZ-CG 3.69Å; E474-R478 VanDerWaalsContact O-CB 3.28Å; E474-R478 WeakPolarHBondContact O-CB 3.45Å; E474-R478 PolarHBondContact O-N 3.25Å; I476-R478 VanDerWaalsContact C-N 3.29Å; I476-R478 PolarHBondContact O-N 2.96Å; R478-I480 PolarHBondContact O-N 3.23Å; R478-A481 PolarHBondContact O-N 3.46Å; R478-L482 HydrophobicContact CG-CD1 4.14Å; R478-L482 VanDerWaalsContact O-CG 3.31Å; R478-L482 WeakPolarHBondContact O-CG 3.29Å; R478-L482 PolarHBondContact O-N 3.42Å
479G92.1Very high90.7Very high20 Ų2087.9 Ų87.921%0.20647%0.47CS..Hα-helixtrans-57.6-46.6174.700000112.7D475 I476 L482 A483D475-G479 PolarHBondContact O-N 3.4Å; I476-G479 PolarHBondContact O-N 3.44Å; I476-G479 VanDerWaalsContact O-N 3.15Å; G479-L482 PolarHBondContact O-N 2.94Å; G479-A483 WeakPolarHBondContact O-CB 3.48Å; G479-A483 PolarHBondContact O-N 3.31Å
480I93.1Very high90Very high75 Ų7589.4 Ų89.439%0.38546%0.462SS..Hα-helixtrans-62.2-46.2176.5-67167.6000111I466 I476 K477 R478 L482 A483 L484I466-I480 HydrophobicContact CG2-CB 4.41Å; I466-I480 HydrophobicContact CG2-CG2 4.01Å; I476-I480 HydrophobicContact CG2-CD1 3.93Å; I476-I480 HydrophobicContact CG2-CG1 4.43Å; I476-I480 WeakPolarHBondContact O-CG1 3.29Å; I476-I480 PolarHBondContact O-N 2.9Å; K477-I480 PolarHBondContact O-N 3.44Å; R478-I480 PolarHBondContact O-N 3.23Å; I480-L482 PolarHBondContact O-N 2.75Å; I480-A483 PolarHBondContact O-N 3.05Å; I480-L484 WeakPolarHBondContact O-CB 3.36Å; I480-L484 PolarHBondContact O-N 3.48Å
481A92.6Very high89.2Confident2 Ų292.5 Ų92.52%0.01748%0.476CS..Hα-helixtrans-58.3-49.317900000111.4I462 F463 I466 K477 R478 A483 L484 F485I462-A481 HydrophobicContact CG2-CB 4.33Å; F463-A481 HydrophobicContact CD1-CB 3.48Å; F463-A481 VanDerWaalsContact CD1-CB 3.48Å; F463-A481 HydrophobicContact CE1-CB 3.68Å; I466-A481 HydrophobicContact CG1-CB 4.06Å; K477-A481 WeakPolarHBondContact O-CB 3.41Å; K477-A481 PolarHBondContact O-N 3.12Å; R478-A481 PolarHBondContact O-N 3.46Å; A481-A483 VanDerWaalsContact C-N 3.31Å; A481-A483 PolarHBondContact O-N 3.5Å; A481-L484 WeakPolarHBondContact O-CB 3.47Å; A481-L484 PolarHBondContact O-N 2.91Å; A481-L484 VanDerWaalsContact O-N 3.16Å; A481-F485 VanDerWaalsContact O-CD2 3.25Å; A481-F485 WeakPolarHBondContact O-CD2 3.36Å; A481-F485 PolarHBondContact O-N 3.41Å; A481-F485 VanDerWaalsContact O-N 3.14Å
482L91.9Very high88.1Confident92 Ų9285.8 Ų85.848%0.48246%0.46SS..Hα-helixtrans-61.8-39.2177.4-67.3171.3000112R478 G479 I480 L484 G486R478-L482 HydrophobicContact CG-CD1 4.14Å; R478-L482 VanDerWaalsContact O-CG 3.31Å; R478-L482 WeakPolarHBondContact O-CG 3.29Å; R478-L482 PolarHBondContact O-N 3.42Å; G479-L482 PolarHBondContact O-N 2.94Å; I480-L482 PolarHBondContact O-N 2.75Å; L482-L484 VanDerWaalsContact C-N 3.34Å; L482-G486 PolarHBondContact O-N 2.82Å; L482-G486 VanDerWaalsContact O-N 3.07Å
483A91.5Very high87Confident32 Ų3288.7 Ų88.726%0.26449%0.49SS..Hα-helixtrans-66.7-34.3175.900000112.8G479 I480 A481 G486 F500G479-A483 WeakPolarHBondContact O-CB 3.48Å; G479-A483 PolarHBondContact O-N 3.31Å; I480-A483 PolarHBondContact O-N 3.05Å; A481-A483 VanDerWaalsContact C-N 3.31Å; A481-A483 PolarHBondContact O-N 3.5Å; A483-G486 PolarHBondContact O-N 3.49Å; A483-F500 HydrophobicContact CB-CB 4.26Å
484L90.2Very high85.5Confident133 Ų13387.7 Ų87.770%0.69649%0.493SS*.Hα-helixtrans-69.4-44.3179.4-162.994.4000112.3I480 A481 L482 G486I480-L484 WeakPolarHBondContact O-CB 3.36Å; I480-L484 PolarHBondContact O-N 3.48Å; A481-L484 WeakPolarHBondContact O-CB 3.47Å; A481-L484 PolarHBondContact O-N 2.91Å; A481-L484 VanDerWaalsContact O-N 3.16Å; L482-L484 VanDerWaalsContact C-N 3.34Å; L484-G486 VanDerWaalsContact C-N 3.29Å
485F89.2Confident83.8Confident148 Ų14890.9 Ų90.965%0.64951%0.513SS*.Hα-helixtrans-70.6-28174.7-75-76.9000112.3I462 A481I462-F485 HydrophobicContact CD1-CE2 4.39Å; I462-F485 HydrophobicContact CD1-CZ 4.24Å; I462-F485 HydrophobicContact CG2-CE2 3.75Å; I462-F485 HydrophobicContact CG2-CZ 4.34Å; A481-F485 VanDerWaalsContact O-CD2 3.25Å; A481-F485 WeakPolarHBondContact O-CD2 3.36Å; A481-F485 PolarHBondContact O-N 3.41Å; A481-F485 VanDerWaalsContact O-N 3.14Å
486G87Confident82Confident31 Ų3188.2 Ų88.232%0.3250%0.498SS..  trans74.7-167.2-178.500000112.9L482 A483 L484L482-G486 PolarHBondContact O-N 2.82Å; L482-G486 VanDerWaalsContact O-N 3.07Å; A483-G486 PolarHBondContact O-N 3.49Å; L484-G486 VanDerWaalsContact C-N 3.29Å
487G85.2Confident80.3Confident44 Ų4488.8 Ų88.845%0.45452%0.516SS..  trans-126.1177.1178.400000112.6
488E83.6Confident78.6Confident156 Ų15694.5 Ų94.573%0.72954%0.541SS*.  trans-80.2124.4175.8-171.4-176.4-164.500111K490E488-K490 PolarHBondContact O-N 3.28Å; E488-K490 VanDerWaalsContact O-N 3.14Å
489P80.1Confident77Confident81 Ų8192.8 Ų92.853%0.52655%0.549SS..  trans-72.8107.2175.529.7-32.9000110.2K498P489-K498 HydrophobicContact CB-CD 4.49Å; P489-K498 HydrophobicContact CB-CG 4.47Å
490K80.9Confident75.5Confident145 Ų14598.2 Ų98.263%0.6357%0.567SS**  trans-89.7122.4169.7-60.8-179.6-175.7-178.90108.5E488 P492 N496E488-K490 PolarHBondContact O-N 3.28Å; E488-K490 VanDerWaalsContact O-N 3.14Å; K490-P492 WeakPolarHBondContact O-CD 3.33Å; K490-N496 PolarHBondContact O-ND2 2.8Å; K490-N496 VanDerWaalsContact O-ND2 3.12Å
491N76Confident74Confident133 Ų133102.7 Ų102.771%0.71159%0.586SS**  trans-99.681.9177.4-80.8-16000112.1G493N491-G493 PolarHBondContact O-N 3.32Å
492P68.5Low72.3Confident87 Ų87106.2 Ų106.257%0.56561%0.61SS**SBendtrans-86.180.4155.934.4-28.4000108.8K490 T494 N496K490-P492 WeakPolarHBondContact O-CD 3.33Å; P492-T494 PolarHBondContact O-N 3.35Å; P492-N496 WeakPolarHBondContact CD-ND2 3.26Å
493G67.6Low69.9Low83 Ų83110.9 Ų110.986%0.85665%0.648SS**SBendtrans67-14.6161.700000119.8N491N491-G493 PolarHBondContact O-N 3.32Å
494T61Low68.8Low102 Ų102114.8 Ų114.863%0.62667%0.667SS**SBendtrans-140.4144.2179.646.40000110.6P492 N496P492-T494 PolarHBondContact O-N 3.35Å; T494-N496 PolarHBondContact O-N 3.05Å
495L56.5Low67.7Low168 Ų168113.8 Ų113.888%0.8867%0.665SS**  trans-53.594.6-180-75.8153.4000111.4
496N55.6Low66.5Low78 Ų78111.9 Ų111.942%0.41767%0.666SS.*  trans-76.8129.9170.4-72.2-25.1000109K490 P492 T494 K498K490-N496 PolarHBondContact O-ND2 2.8Å; K490-N496 VanDerWaalsContact O-ND2 3.12Å; P492-N496 WeakPolarHBondContact CD-ND2 3.26Å; T494-N496 PolarHBondContact O-N 3.05Å; N496-K498 WeakPolarHBondContact O-CG 3.33Å; N496-K498 PolarHBondContact O-N 3.35Å
497A57.4Low65.3Low104 Ų104116.7 Ų116.786%0.8669%0.687SS**  trans-58.2127.5177.800000110.4
498K58.1Low64Low135 Ų135121.3 Ų121.359%0.58770%0.701SS**  trans-93.5-12.9-165.9-60.1179-179177.20114.3P489 N496P489-K498 HydrophobicContact CB-CD 4.49Å; P489-K498 HydrophobicContact CB-CG 4.47Å; N496-K498 WeakPolarHBondContact O-CG 3.33Å; N496-K498 PolarHBondContact O-N 3.35Å
499C58.9Low62.7Low99 Ų99118.9 Ų118.967%0.66970%0.699SS**SBendtrans-109124.7-170.7-54.40000110.2H501C499-H501 PolarHBondContact O-N 3.35Å
500F61.1Low61.5Low135 Ų135121.6 Ų121.659%0.59271%0.712SS**  trans-65.9116.9165.1-72.7-79.4000108.3A483A483-F500 HydrophobicContact CB-CB 4.26Å
501H61.8Low60Low169 Ų169119.8 Ų119.878%0.78272%0.718SS**  trans-83.1120164.7-94.150000108C499C499-H501 PolarHBondContact O-N 3.35Å
502C56.2Low58.6Low76 Ų76118.8 Ų118.851%0.51472%0.719SS.*  trans-84.6110.5167.5-152.60000107.1
503C40.7Very low57.7Low189 Ų189121.6 Ų121.6100%1.27773%0.733SS**  trans-870172.3-75.60000111.6

Retrieved 503 of 503 residues in 1307.4 ms (Link to these results)