A0A075T7C6_MAIZE Loading...

Pyrabactin resistance-like protein

AlphaFold DB (K7VNS9), UniProt , Accession A0A075T7C6, Species MAIZE (Zea mays, Maize), Gene PYL8, Length 312 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.5Very low46Very low243 Ų243148.5 Ų148.5100%1.19782%0.82SS**  0108.10-79.4170.7168.600107
2S43.8Very low45.7Very low125 Ų125148.2 Ų148.287%0.87481%0.814SS**PPolyproline II helixtrans-77.2129.4-174.2-55.90000110.4
3I45.7Very low45.3Very low158 Ų158149.2 Ų149.281%0.8181%0.809SS**PPolyproline II helixtrans-74.8126.5-178-60.6168.5000108.7
4P48Very low45Very low117 Ų117146 Ų14676%0.7680%0.799SS**PPolyproline II helixtrans-85.1123178.730.2-29.5000111.6S6P4-S6 PolarHBondContact O-N 3.39Å
5T46.9Very low44.6Very low134 Ų134144.8 Ų144.882%0.82280%0.801SS**  trans-79.2106.2172.3-6.30000109.7H7T5-H7 PolarHBondContact O-N 3.44Å
6S53.6Low44.8Very low103 Ų103143.6 Ų143.672%0.7280%0.8SS**  trans-79.6106.9173.51550000110.1P4 I8P4-S6 PolarHBondContact O-N 3.39Å; S6-I8 PolarHBondContact O-N 3.31Å
7H47.1Very low44.5Very low182 Ų182142.8 Ų142.884%0.84380%0.802SS**  trans-73.8115167-91.6-83.5000110.1T5T5-H7 PolarHBondContact O-N 3.44Å
8I51.3Low44.3Very low143 Ų143142.5 Ų142.573%0.73380%0.804SS**  trans-83.9122172.2-62.6171.6000108.4S6S6-I8 PolarHBondContact O-N 3.31Å
9P41.7Very low44.1Very low110 Ų110146.8 Ų146.871%0.71481%0.807SS**  trans-77.8127.7177.227.9-30.1000111.5H11P9-H11 PolarHBondContact O-N 3.43Å
10I42.5Very low43.7Very low151 Ų151144.5 Ų144.577%0.77480%0.799SS**  trans-78.3105.9176.4-60.1174.3000108.2I12I10-I12 HydrophobicContact CG2-CG1 3.94Å; I10-I12 PolarHBondContact O-N 3.4Å
11H40.2Very low43.3Very low167 Ų167143.2 Ų143.277%0.77380%0.797SS**  trans-81.7100.9173.2-128.3-82.7000108.9P9 H13P9-H11 PolarHBondContact O-N 3.43Å; H11-H13 PolarHBondContact O-N 3.35Å
12I41.9Very low42.7Very low145 Ų145136.8 Ų136.874%0.74477%0.772SS**  trans-82.7107.8175.3-58.2178.3000107.8I10I10-I12 HydrophobicContact CG2-CG1 3.94Å; I10-I12 PolarHBondContact O-N 3.4Å
13H40.5Very low42.1Very low162 Ų162136.2 Ų136.275%0.7576%0.763SS**PPolyproline II helixtrans-75.4132.8172.6-109.2-82.5000110.4H11H11-H13 PolarHBondContact O-N 3.35Å
14P41.2Very low41.2Very low104 Ų104137.3 Ų137.368%0.67576%0.762SS**PPolyproline II helixtrans-73.2149.2175.828.6-32.7000111.8
15P39.1Very low40.5Very low128 Ų128138.8 Ų138.883%0.83176%0.763SS**PPolyproline II helixtrans-74.2135.2-172.429-33.1000112.4
16T47.7Very low39.5Very low126 Ų126138 Ų13877%0.77376%0.757SS**PPolyproline II helixtrans-69.4133.9173.339.40000111.9T18T16-T18 PolarHBondContact O-N 3.44Å
17P39.9Very low38.1Very low130 Ų130141.4 Ų141.484%0.84476%0.76SS**PPolyproline II helixtrans-76.1121-177.928.2-32.2000112
18T40.4Very low37.2Very low137 Ų137139 Ų13984%0.8476%0.758SS**PPolyproline II helixtrans-79.9124.3172.143.90000110.4T16T16-T18 PolarHBondContact O-N 3.44Å
19R40.6Very low36Very low225 Ų225140.5 Ų140.585%0.84976%0.759SS**PPolyproline II helixtrans-73.3136178.3-171.9178.8-179-176.20.5110.3
20P36.1Very low35.5Very low99 Ų99142.8 Ų142.864%0.64377%0.765SS**PPolyproline II helixtrans-78.2151.9179.530.8-32.9000112
21P35.5Very low34.7Very low119 Ų119141.4 Ų141.477%0.77376%0.764SS**PPolyproline II helixtrans-71.4131-176.428.6-32.9000111.4V23P21-V23 PolarHBondContact O-N 3.4Å
22T32.4Very low34.2Very low108 Ų108141 Ų14166%0.66376%0.762SS**  trans-82.3103.3172.6-53.10000108.1F24T22-F24 HydrophobicContact CG2-CD2 4.25Å; T22-F24 HydrophobicContact CG2-CE2 4.24Å; T22-F24 PolarHBondContact O-N 3.47Å
23V32.1Very low33.7Very low113 Ų113142.4 Ų142.469%0.68576%0.763SS**  trans-87.1107.2176.3-177.70000108.6P21 L25P21-V23 PolarHBondContact O-N 3.4Å; V23-L25 HydrophobicContact CG1-CG 4.14Å
24F27.2Very low33Very low181 Ų181140.6 Ų140.679%0.79476%0.764SS**  trans-76.1115.3165.8-92.9-98.4000108.6T22T22-F24 HydrophobicContact CG2-CD2 4.25Å; T22-F24 HydrophobicContact CG2-CE2 4.24Å; T22-F24 PolarHBondContact O-N 3.47Å
25L32.1Very low32.6Very low147 Ų147144.3 Ų144.377%0.7777%0.771SS**  trans-105.5107.5168.1-79.9169.7000109.3V23V23-L25 HydrophobicContact CG1-CG 4.14Å
26V26Very low32.6Very low118 Ų118143.4 Ų143.472%0.71577%0.766SS**  trans-78.4122.2173.9174.80000108.5
27F24.8Very low31.7Very low175 Ų175145.7 Ų145.777%0.76877%0.772SS**  trans-86.7108.3171.6-83.2-93.1000109.7
28T29.1Very low31.1Very low130 Ų130146.1 Ų146.180%0.79877%0.773SS**  trans-104.9103.2163.622.80000109.6
29F25.9Very low30.6Very low176 Ų176147.4 Ų147.477%0.77277%0.773SS**  trans-68.1134.4160.2-94.2-106.2000109.5
30L29.6Very low30.1Very low158 Ų158142 Ų14283%0.82777%0.77SS**  trans-150.3101.3155.9-107.8154.5000109.8
31T27.1Very low30.2Very low122 Ų122142.4 Ų142.475%0.74877%0.772SS**  trans-76.8128163.416.10000109.7
32Q28.6Very low29.8Very low157 Ų157143.3 Ų143.373%0.73477%0.769SS**  trans173.8127.5163.2-107.6170.516.900106.2
33F31.2Very low29.8Very low176 Ų176144.2 Ų144.277%0.77277%0.77SS**  cis-158.5139.339.1-105.3-93.7000109.7
34T26.2Very low29.7Very low124 Ų124146.3 Ų146.376%0.76177%0.772SS**  trans-116.1128.9158.5370000107.5
35H33.1Very low29.7Very low181 Ų181142.6 Ų142.684%0.83877%0.767SS**  trans-177.6160.9153.2-101.4-39.2000112.5
36P38.3Very low29.6Very low110 Ų110141.7 Ų141.771%0.71477%0.771SS**  -118.9167.8-113.240.8-30.2000115.5
37L28.7Very low30Very low173 Ų173145.2 Ų145.291%0.90678%0.78SS**  trans-73.8130.7175.6-70.1164.9000112.4
38T28.3Very low30Very low140 Ų140143.5 Ų143.586%0.85978%0.777SS**  trans-84.7126168.236.40000111
39I29.5Very low30.3Very low163 Ų163143.6 Ų143.684%0.83678%0.78SS**  trans-121.7137.1161.5-65.8177.2000108
40S29.9Very low30.4Very low113 Ų113141.2 Ų141.279%0.7978%0.775SS**  trans-152.3159.2176.9-87.50000109.3
41P38.1Very low30.8Very low106 Ų106138.8 Ų138.869%0.68877%0.769SS**  trans-123.4-174.7-131.327.1-5.3000113.8
42I27.7Very low30.9Very low138 Ų138139.4 Ų139.471%0.70877%0.767SS**  trans138.7143.6131.4-70.7159.5000114.5
43D32.2Very low31.3Very low128 Ų128137.2 Ų137.268%0.68477%0.767SS**  trans92.3134.7161.3-78.5-10.8000120
44H30.7Very low31.2Very low156 Ų156133.8 Ų133.872%0.72276%0.76SS**  cis-171.8149.9-16.8-130.135.5000107.6
45C26.2Very low31.7Very low103 Ų103134.8 Ų134.870%0.69677%0.766SS**  trans64.9117152.1-63.60000121.3
46C31.8Very low31.6Very low128 Ų128135 Ų13587%0.86577%0.765SS**  178.1118.4101.9-84.40000113.7
47H32.5Very low31.3Very low193 Ų193133.1 Ų133.189%0.89476%0.764SS**  trans51.5134.5148-87.7-10.8000126.2
48I26.4Very low31.5Very low138 Ų138131 Ų13171%0.70876%0.758SS**  trans-96.9149.9179.1-60157.8000107.9N50I48-N50 HydrophobicContact CG2-CB 4.41Å
49P35.7Very low31.7Very low132 Ų132133.5 Ų133.586%0.85776%0.758SS**  -136.7134.399.617.25.2000115.1
50N27.7Very low32Very low126 Ų126131 Ų13167%0.67475%0.752SS**  trans-70.7168.9162.3-112.8-31.6000110.7I48I48-N50 HydrophobicContact CG2-CB 4.41Å
51P36.9Very low32.1Very low108 Ų108130.5 Ų130.570%0.70176%0.755SS**  cis-149.7147.847.635.9-13.1000120
52L30.5Very low31.8Very low135 Ų135130.1 Ų130.171%0.70776%0.76SS**  trans50.7159.5132.4-60.1175.2000123V54L52-V54 HydrophobicContact CD2-CG2 4.19Å
53P35Very low32.1Very low111 Ų111128.1 Ų128.172%0.72177%0.765SS**  cis-124.7139.5-1033.9-16000113.6
54V29.5Very low32.1Very low104 Ų104126.4 Ų126.463%0.6377%0.768SS**  5492.587.9-166.50000116.5L52 F56L52-V54 HydrophobicContact CD2-CG2 4.19Å; V54-F56 HydrophobicContact CG1-CD2 4.39Å
55V36.4Very low32Very low145 Ų145123.5 Ų123.588%0.87977%0.771SS**  trans-137.398141.8-177.50000107.3
56F32.5Very low32.2Very low186 Ų186124.7 Ų124.782%0.81678%0.775SS**  trans-86.4105.1173.7-92.3-91000109.4V54V54-F56 HydrophobicContact CG1-CD2 4.39Å
57G32.4Very low32Very low69 Ų69122.5 Ų122.571%0.71177%0.766SS**  trans-84.2104.6161.900000109.4F59G57-F59 PolarHBondContact O-N 3.19Å
58V31.6Very low31.7Very low128 Ų128118.4 Ų118.478%0.77676%0.755SS**  trans-75.8107.8171177.50000107.9
59F32.4Very low31.9Very low194 Ų194116.7 Ų116.785%0.85175%0.75SS**  trans-118.4132.9159.5-95.3-86.7000109G57G57-F59 PolarHBondContact O-N 3.19Å
60P35.4Very low31.5Very low111 Ų111118 Ų11872%0.72174%0.744SS**  trans-76.9133.3-166.330.5-32.8000111.1A62P60-A62 PolarHBondContact O-N 3.25Å
61A32.6Very low32.1Very low102 Ų102118.5 Ų118.584%0.84374%0.743SS**  trans-64.1101.6167.100000109.2A63A61-A63 PolarHBondContact O-N 3.13Å
62A32.2Very low31.8Very low97 Ų97119.5 Ų119.580%0.80275%0.747SS**  trans-6899.9163.800000107.7P60 A64P60-A62 PolarHBondContact O-N 3.25Å; A62-A64 PolarHBondContact O-N 2.9Å
63A32.5Very low32Very low97 Ų97115.2 Ų115.280%0.80273%0.726SS**  trans-60.2101168.100000108.4A61 A65A61-A63 PolarHBondContact O-N 3.13Å; A63-A65 VanDerWaalsContact C-N 3.34Å; A63-A65 PolarHBondContact O-N 3.41Å
64A33.6Very low31.9Very low92 Ų92114 Ų11476%0.7672%0.718SS**  trans-66.696.8169.600000107.8A62 V66A62-A64 PolarHBondContact O-N 2.9Å; A64-V66 PolarHBondContact O-N 3.03Å
65A28.7Very low32Very low95 Ų95115.1 Ų115.179%0.78572%0.72SS**  trans-60.4103.5166.400000107.8A63 A67A63-A65 VanDerWaalsContact C-N 3.34Å; A63-A65 PolarHBondContact O-N 3.41Å; A65-A67 VanDerWaalsContact C-N 3.31Å; A65-A67 PolarHBondContact O-N 3.15Å
66V30.3Very low31.7Very low127 Ų127112.4 Ų112.477%0.7771%0.713SS**  trans-65.696.3169.5178.10000106.7A64 V68A64-V66 PolarHBondContact O-N 3.03Å; V66-V68 PolarHBondContact O-N 2.69Å
67A27Very low31.7Very low82 Ų82105.3 Ų105.368%0.67869%0.685SS**  trans-64.6102.3169.900000107.7A65 V69A65-A67 VanDerWaalsContact C-N 3.31Å; A65-A67 PolarHBondContact O-N 3.15Å; A67-V69 PolarHBondContact O-N 3.37Å
68V27.3Very low32.1Very low108 Ų108103.4 Ų103.466%0.65566%0.658SS**  trans-68.290.2168.5-178.60000107V66 H70V66-V68 PolarHBondContact O-N 2.69Å; V68-H70 VanDerWaalsContact C-N 3.31Å; V68-H70 PolarHBondContact O-N 3.02Å
69V29.7Very low32.3Very low101 Ų101101.2 Ų101.261%0.61265%0.648SS**  trans-70.393.4170.6-179.90000106.9A67 H71A67-V69 PolarHBondContact O-N 3.37Å; V69-H71 VanDerWaalsContact C-N 3.31Å; V69-H71 PolarHBondContact O-N 3.3Å
70H28.2Very low32.7Very low160 Ų16093.5 Ų93.574%0.74162%0.615SS**  trans-64.297.4162.6-83.2-90.9000107.6V68 T72V68-H70 VanDerWaalsContact C-N 3.31Å; V68-H70 PolarHBondContact O-N 3.02Å; H70-T72 VanDerWaalsContact C-N 3.26Å; H70-T72 PolarHBondContact O-N 2.63Å
71H38.5Very low33Very low137 Ų13798 Ų9863%0.63462%0.618SS**  trans-65.789.7167.1-83.6-60.3000108.9V69 V73V69-H71 VanDerWaalsContact C-N 3.31Å; V69-H71 PolarHBondContact O-N 3.3Å; H71-V73 PolarHBondContact O-N 3.17Å
72T32Very low33.1Very low128 Ų128100.4 Ų100.479%0.78561%0.611SS**  trans-65.498.8158.336.30000107.6H70 P74H70-T72 VanDerWaalsContact C-N 3.26Å; H70-T72 PolarHBondContact O-N 2.63Å; T72-P74 WeakPolarHBondContact O-CD 3.48Å
73V34.9Very low33.4Very low45 Ų45105.5 Ų105.527%0.27361%0.61SS.*  trans-59.7120.4166.4178.70000107H71 L75 T283H71-V73 PolarHBondContact O-N 3.17Å; V73-L75 PolarHBondContact O-N 3.25Å; V73-L75 VanDerWaalsContact O-N 3.17Å; V73-T283 HydrophobicContact CG1-CG2 3.71Å; V73-T283 HydrophobicContact CG2-CG2 4.46Å
74P31.3Very low33.1Very low85 Ų85107.8 Ų107.855%0.55261%0.609SS**  trans-60.8122.3179.3-19.530.3000109.8T72 A76 V77T72-P74 WeakPolarHBondContact O-CD 3.48Å; P74-A76 PolarHBondContact O-N 2.91Å; P74-V77 PolarHBondContact O-N 3.1Å
75L32.5Very low33.1Very low129 Ų129107.9 Ų107.968%0.67560%0.604SS**G310 helixtrans-49.9-22.2175.6-78.3159.3000113.4V73 V77 I78V73-L75 PolarHBondContact O-N 3.25Å; V73-L75 VanDerWaalsContact O-N 3.17Å; L75-V77 PolarHBondContact O-N 3.17Å; L75-I78 PolarHBondContact O-N 3.01Å; L75-I78 VanDerWaalsContact O-N 3.1Å
76A30.3Very low33Very low88 Ų88109 Ų10973%0.72761%0.606SS**G310 helixtrans-58.4-28.4175.800000113.8P74P74-A76 PolarHBondContact O-N 2.91Å
77V31.5Very low33.2Very low37 Ų37110.2 Ų110.222%0.22461%0.606CS.*G310 helixtrans-79.5-24.2178.8-177.20000111.4P74 L75 I279 F280P74-V77 PolarHBondContact O-N 3.1Å; L75-V77 PolarHBondContact O-N 3.17Å; V77-I279 HydrophobicContact CG1-CG2 4.23Å; V77-I279 HydrophobicContact CG2-CG2 4.48Å; V77-F280 HydrophobicContact CG1-CB 4.32Å; V77-F280 HydrophobicContact CG1-CD2 4.11Å; V77-F280 WeakPolarHBondContact O-CD2 3.4Å
78I41.3Very low33.3Very low28 Ų28113.6 Ų113.614%0.14461%0.613CS.*THydrogen-bonded Turntrans-82.6-20.5-174.1-66.1176000111.7L75 M80 L206 P207L75-I78 PolarHBondContact O-N 3.01Å; L75-I78 VanDerWaalsContact O-N 3.1Å; I78-M80 PolarHBondContact O-N 3.3Å; I78-M80 VanDerWaalsContact O-N 3.1Å; I78-L206 HydrophobicContact CD1-CD2 3.97Å; I78-L206 HydrophobicContact CG2-CD2 3.98Å; I78-P207 HydrophobicContact CG2-CG 3.5Å; I78-P207 VanDerWaalsContact CG2-CG 3.5Å; I78-P207 WeakPolarHBondContact O-CG 3.36Å
79S37Very low33.3Very low82 Ų82117.9 Ų117.957%0.57363%0.626SS**  trans-87.878179-156.80000113.2R81S79-R81 PolarHBondContact O-N 3.1Å
80M40.3Very low33.2Very low33 Ų33121.8 Ų121.816%0.16364%0.637CS.*  trans-80.867.2155-77.3-152.7-165.400110I78 P269 F280I78-M80 PolarHBondContact O-N 3.3Å; I78-M80 VanDerWaalsContact O-N 3.1Å; M80-P269 HydrophobicContact SD-CG 4.25Å; M80-F280 HydrophobicContact CE-CB 3.61Å; M80-F280 HydrophobicContact CE-CD1 3.75Å; M80-F280 HydrophobicContact CE-CG 3.77Å
81R41.8Very low33.1Very low205 Ų205122.4 Ų122.477%0.77464%0.64SS**  trans-87.5145.1174.3-171.8171.8179.81711.7111.4S79 R83S79-R81 PolarHBondContact O-N 3.1Å; R81-R83 PolarHBondContact O-N 3.06Å; R81-R83 VanDerWaalsContact O-N 3.13Å
82E34.7Very low32.7Very low152 Ų152124.8 Ų124.871%0.7165%0.652SS**  trans-51.2112173-73.4174.1157.600111.8N84E82-N84 PolarHBondContact O-N 3.35Å
83R38Very low32.3Very low205 Ų205130.7 Ų130.777%0.77466%0.66SS**  trans-8394151.6-88.2-173.6-82.8164.6-5107R81 S85R81-R83 PolarHBondContact O-N 3.06Å; R81-R83 VanDerWaalsContact O-N 3.13Å; R83-S85 VanDerWaalsContact C-N 3.28Å; R83-S85 PolarHBondContact O-N 3.16Å
84N26.8Very low31.9Very low145 Ų145132 Ų13278%0.77568%0.682SS**  trans-63.796162.2-83.8-7000107.8E82E82-N84 PolarHBondContact O-N 3.35Å
85S33.3Very low31.7Very low93 Ų93133.8 Ų133.865%0.6570%0.697SS**  trans-97.292.5168.534.10000107.6R83 I87R83-S85 VanDerWaalsContact C-N 3.28Å; R83-S85 PolarHBondContact O-N 3.16Å; S85-I87 PolarHBondContact O-N 2.91Å
86S26.5Very low31.4Very low119 Ų119133.6 Ų133.683%0.83271%0.707SS**  trans-66.2103.9149.4-73.60000106.9
87I34.3Very low31.6Very low153 Ų153135.7 Ų135.779%0.78572%0.716SS**  trans-133.6108.9162.1-62.8-177.9000106.4S85S85-I87 PolarHBondContact O-N 2.91Å
88D29.2Very low31.4Very low152 Ų152145.3 Ų145.381%0.81375%0.748SS**  trans-56143.8174.2-70.1-59.4000111.7E90D88-E90 PolarHBondContact O-N 2.81Å
89Q27.2Very low31Very low199 Ų199149 Ų14993%0.9378%0.776SS**  trans-61.5111.5168-79.7173-10.500109.5
90E28Very low30.6Very low182 Ų182151.1 Ų151.185%0.8579%0.786SS**  trans-119.7108.5156.9-142.5171.9175.600110.2D88D88-E90 PolarHBondContact O-N 2.81Å
91H25.2Very low30Very low174 Ų174157.5 Ų157.581%0.80682%0.818SS**  trans-50133160.9-92.8-31.9000110.7
92Q30.3Very low29.5Very low187 Ų187153.7 Ų153.787%0.87482%0.819SS**  -168.8140.1122.6-102.8161.259.400113.8
93R23Very low29.4Very low251 Ų251155.1 Ų155.195%0.94782%0.823SS**  trans-57.2148.8168.2-76.4166.7156.4-120.6-1111.9
94G26.8Very low29.1Very low73 Ų73150.1 Ų150.175%0.75383%0.826SS**  trans166.987.915800000116.6
95S27.5Very low29.5Very low122 Ų122146.8 Ų146.885%0.85382%0.819SS**  trans30.4127146.3-64.10000123.6
96S25.9Very low29.1Very low126 Ų126148.2 Ų148.288%0.88183%0.829SS**  trans17.1118.5134.6-79.50000119.6
97S35.5Very low29.3Very low131 Ų131151.6 Ų151.692%0.91682%0.823SS**  -156.1153.7122-161.90000111.9
98R25.8Very low29.1Very low239 Ų239150.7 Ų150.790%0.90283%0.825SS**  trans-105.8125-163.6177.5-170.8-164.4-170.14.8108.7
99S33Very low29.2Very low106 Ų106148.3 Ų148.374%0.74182%0.82SS**  trans-173117.3145-144.30000113.7
100T29.2Very low29.5Very low127 Ų127145.7 Ų145.778%0.77981%0.808SS**  64.7107.9128.2-44.40000121.5
101M27.8Very low30.4Very low167 Ų167143.8 Ų143.882%0.82380%0.799SS**  trans-31.6146.9147.6-72.1-86.2-141.300114.2
102P31.5Very low31.2Very low124 Ų124143.6 Ų143.681%0.80580%0.798SS**  -151.8142.873.836.8-17000115.9
103F33.4Very low32.1Very low183 Ų183139 Ų13980%0.80378%0.777SS**  179.7112.2125.4-169.7-109.1000108.1A105F103-A105 HydrophobicContact CD1-CB 4.37Å; F103-A105 HydrophobicContact CE1-CB 4.48Å; F103-A105 PolarHBondContact O-N 2.91Å; F103-A105 VanDerWaalsContact O-N 3.15Å
104A30.3Very low33.4Very low100 Ų100130.4 Ų130.483%0.82676%0.755SS**  trans-73.897.8174.600000109.1
105A35.1Very low34Very low75 Ų75137.3 Ų137.362%0.6276%0.758SS**  trans-95.2125.116200000108.3F103 R107F103-A105 HydrophobicContact CD1-CB 4.37Å; F103-A105 HydrophobicContact CE1-CB 4.48Å; F103-A105 PolarHBondContact O-N 2.91Å; F103-A105 VanDerWaalsContact O-N 3.15Å; A105-R107 PolarHBondContact O-N 3.33Å
106S25.5Very low34.8Very low123 Ų123135 Ų13586%0.8674%0.739SS**  trans-40.9105.4-177.1-53.30000112.9T108S106-T108 PolarHBondContact O-N 3.48Å
107R30.3Very low35.3Very low190 Ų190133.2 Ų133.272%0.71773%0.732SS**  trans-65.7105167.2-84.2167.763.8-179.5-2.7107.5A105 S109A105-R107 PolarHBondContact O-N 3.33Å; R107-S109 PolarHBondContact O-N 3.08Å
108T30.3Very low35.4Very low133 Ų133131 Ų13182%0.81671%0.713SS**  trans-50.9130.9158.442.70000107.8S106 Q110S106-T108 PolarHBondContact O-N 3.48Å; T108-Q110 PolarHBondContact O-N 3.44Å
109S30.4Very low36.3Very low103 Ų103128 Ų12872%0.7272%0.715SS**  trans-41.8118.7-171.6-175.60000111.8R107 Q111R107-S109 PolarHBondContact O-N 3.08Å; S109-Q111 PolarHBondContact O-N 3.46Å
110Q35.5Very low36.8Very low143 Ų143126.8 Ų126.867%0.66872%0.719SS**  trans-54.9107.7164.4-84175.9-34.200107.2T108 Q112T108-Q110 PolarHBondContact O-N 3.44Å; Q110-Q112 PolarHBondContact O-N 3.07Å
111Q45.4Very low37.5Very low143 Ų143129.2 Ų129.267%0.66871%0.714SS**  trans-58.6128.9176.4-77.6175.3-24.200108.8S109 H113S109-Q111 PolarHBondContact O-N 3.46Å; Q111-H113 PolarHBondContact O-N 3.39Å
112Q43.1Very low38.5Very low169 Ų169124.8 Ų124.879%0.7970%0.704SS**  trans-72.4109.7-168.4-67.8171.3-28.800109.8Q110 A127Q110-Q112 PolarHBondContact O-N 3.07Å; Q112-A127 WeakPolarHBondContact O-CB 3.27Å
113H47.6Very low39.5Very low92 Ų92120.3 Ų120.343%0.42667%0.674SS.*PPolyproline II helixtrans-81.7119.3165.8-73.9-77.1000109.3Q111Q111-H113 PolarHBondContact O-N 3.39Å
114S50.9Low40.8Very low70 Ų70113 Ų11349%0.4965%0.648SS.*EExtended strand (participates in β ladder)trans-80.6123165.6-61.70000108.7V125S114-V125 PolarHBondContact O-N 3.05Å
115R40.3Very low42.3Very low217 Ų217109.6 Ų109.682%0.81962%0.617SS**EExtended strand (participates in β ladder)trans-84.1117.7171.6-74.8-179.1165.5178.3-3.8108.3
116V44.3Very low43.8Very low75 Ų75106.5 Ų106.546%0.45559%0.591SS.*EExtended strand (participates in β ladder)trans-109.4124.3167.6-174.50000107.8T118 V125V116-T118 HydrophobicContact CG1-CG2 4.06Å; V116-T118 PolarHBondContact O-N 3.23Å; V116-V125 HydrophobicContact CB-CG2 4.3Å; V116-V125 HydrophobicContact CG2-CG2 4.02Å
117A35.1Very low45.2Very low88 Ų88102.6 Ų102.673%0.72757%0.566SS**EExtended strand (participates in β ladder)trans-85.1101174.100000108.6
118T38Very low46.2Very low85 Ų8595 Ų9552%0.52155%0.547SS..EExtended strand (participates in β ladder)trans-108.5125.3163.958.40000108.6V116 G120 R121V116-T118 HydrophobicContact CG1-CG2 4.06Å; V116-T118 PolarHBondContact O-N 3.23Å; T118-G120 VanDerWaalsContact C-N 3.31Å; T118-G120 PolarHBondContact O-N 3.21Å; T118-G120 VanDerWaalsContact O-N 3.12Å; T118-R121 PolarHBondContact O-N 3.36Å
119N45.5Very low47.7Very low174 Ų17491.1 Ų91.193%0.9352%0.519SS*.THydrogen-bonded Turntrans5036.9175.7-60.1-9000116.7R121N119-R121 PolarHBondContact O-N 3.16Å
120G43.8Very low48.9Very low82 Ų8291.4 Ų91.485%0.84553%0.528SS*.THydrogen-bonded Turntrans83.8-2169.500000116T118T118-G120 VanDerWaalsContact C-N 3.31Å; T118-G120 PolarHBondContact O-N 3.21Å; T118-G120 VanDerWaalsContact O-N 3.12Å
121R43Very low50.3Low177 Ų17788.2 Ų88.267%0.66853%0.534SS*.EExtended strand (participates in β ladder)trans-106.9118.4169.2-162.6170.4-176.7154.1-0.9108.7T118 N119 V123T118-R121 PolarHBondContact O-N 3.36Å; N119-R121 PolarHBondContact O-N 3.16Å; R121-V123 PolarHBondContact O-N 2.87Å
122A49.5Very low51.5Low74 Ų7482.1 Ų82.161%0.61251%0.506SS*.EExtended strand (participates in β ladder)trans-67.1101.6173.400000108.7
123V51.2Low53Low30 Ų3077.4 Ų77.418%0.18249%0.49CS..EExtended strand (participates in β ladder)trans-91.8125.1173.1178.20000106.8R121 A143R121-V123 PolarHBondContact O-N 2.87Å; V123-A143 VanDerWaalsContact CG1-CA 3.45Å; V123-A143 HydrophobicContact CG1-CB 3.58Å
124A61.6Low54.4Low31 Ų3179.6 Ų79.626%0.25651%0.505SS..EExtended strand (participates in β ladder)trans-74129169.400000107.5V144A124-V144 HydrophobicContact CB-CB 4.43Å; A124-V144 WeakPolarHBondContact O-CB 2.92Å; A124-V144 WeakPolarHBondContact O-CG2 3.41Å; A124-V144 PolarHBondContact O-N 2.95Å
125V61Low55.5Low27 Ų2782.3 Ų82.316%0.16451%0.51CS..EExtended strand (participates in β ladder)trans-92.7133.1170.9-174.30000107S114 V116 A127 E141 H142S114-V125 PolarHBondContact O-N 3.05Å; V116-V125 HydrophobicContact CB-CG2 4.3Å; V116-V125 HydrophobicContact CG2-CG2 4.02Å; V125-A127 PolarHBondContact O-N 2.72Å; V125-E141 HydrophobicContact CG1-CB 4.09Å; V125-E141 HydrophobicContact CG1-CG 4.12Å; V125-H142 WeakPolarHBondContact CA-O 3.18Å
126C66.9Low57.4Low10 Ų1072.3 Ų72.37%0.06847%0.473CS..PPolyproline II helixtrans-62.3116.8161.4-112.10000107.2G128 H142 C150C126-G128 PolarHBondContact O-N 2.76Å; C126-H142 PolarHBondContact N-O 3.46Å; C126-C150 HydrophobicContact CB-CB 4.07Å; C126-C150 WeakPolarHBondContact CB-SG 3.48Å; C126-C150 WeakPolarHBondContact SG-CB 3.2Å; C126-C150 PolarHBondContact SG-O 2.91Å; C126-C150 VanDerWaalsContact SG-O 3.41Å; C126-C150 CovalentContact SG-SG 2Å; C126-C150 PolarHBondContact SG-SG 3.04Å
127A55.1Low59.2Low41 Ų4169.1 Ų69.134%0.33946%0.455SS..PPolyproline II helixtrans-56.1131.3175.800000109.2Q112 V125 H129Q112-A127 WeakPolarHBondContact O-CB 3.27Å; V125-A127 PolarHBondContact O-N 2.72Å; A127-H129 PolarHBondContact O-N 3.39Å
128G50.9Low61.6Low31 Ų3172 Ų7232%0.3245%0.447SS..PPolyproline II helixtrans-50135.5160.200000108.8C126C126-G128 PolarHBondContact O-N 2.76Å
129H61.8Low63.9Low52 Ų5270.9 Ų70.924%0.24144%0.435CS..PPolyproline II helixtrans-75146.2-168.1-70.6-84.8000112.3A127 G131 V132 A152A127-H129 PolarHBondContact O-N 3.39Å; H129-G131 PolarHBondContact O-N 3.46Å; H129-V132 HydrophobicContact CB-CG2 4.05Å; H129-V132 PolarHBondContact O-N 2.96Å; H129-V132 VanDerWaalsContact O-N 3.13Å; H129-A152 WeakPolarHBondContact CD2-CB 3Å; H129-A152 PolarHBondContact CE1-O 3.02Å; H129-A152 WeakPolarHBondContact NE2-CA 3.28Å; H129-A152 WeakPolarHBondContact NE2-CB 3.47Å; H129-A152 PolarHBondContact NE2-N 3.29Å; H129-A152 PolarHBondContact NE2-O 3.1Å
130A57Low66Low108 Ų10862.9 Ų62.989%0.89339%0.392SS*.THydrogen-bonded Turntrans-55.2124.5169.600000110
131G65.2Low68Low77 Ų7764.1 Ų64.179%0.79438%0.376SS*.THydrogen-bonded Turntrans95.5-5.6179.700000115.3H129H129-G131 PolarHBondContact O-N 3.46Å
132V70Confident70.1Confident14 Ų1456 Ų569%0.08535%0.345CS..SBendtrans-90.8129170.8178.70000108.7H129 V136 V154 V261H129-V132 HydrophobicContact CB-CG2 4.05Å; H129-V132 PolarHBondContact O-N 2.96Å; H129-V132 VanDerWaalsContact O-N 3.13Å; V132-V136 HydrophobicContact CG1-CB 3.46Å; V132-V136 VanDerWaalsContact CG1-CB 3.46Å; V132-V136 HydrophobicContact CG1-CG1 3.41Å; V132-V136 VanDerWaalsContact CG1-CG1 3.41Å; V132-V154 HydrophobicContact CG2-CG2 3.48Å; V132-V154 VanDerWaalsContact CG2-CG2 3.48Å; V132-V261 HydrophobicContact CG1-CG2 4.48Å; V132-V261 HydrophobicContact CG2-CG2 4.29Å
133P75.4Confident71.8Confident71 Ų7156 Ų5646%0.46135%0.346SS..  trans-57.8144.9174.9-22.133000111.9E135 V136 A137 M259P133-E135 PolarHBondContact O-N 3.32Å; P133-E135 VanDerWaalsContact O-N 3.08Å; P133-V136 HydrophobicContact CB-CG2 4.31Å; P133-V136 HydrophobicContact CG-CG2 4.37Å; P133-V136 WeakPolarHBondContact O-CA 3.26Å; P133-V136 WeakPolarHBondContact O-CB 3.5Å; P133-V136 PolarHBondContact O-N 3.17Å; P133-A137 PolarHBondContact O-N 2.92Å; P133-M259 HydrophobicContact CG-CE 4.38Å
134D75.6Confident73.5Confident137 Ų13755.2 Ų55.273%0.73334%0.341SS*.Hα-helixtrans-54.3-34.6-175.4-67.7-16.5000113.5V136 A137 R138D134-V136 VanDerWaalsContact C-N 3.31Å; D134-V136 PolarHBondContact O-N 3.02Å; D134-A137 PolarHBondContact O-N 3.11Å; D134-R138 PolarHBondContact O-N 2.78Å
135E74.8Confident74.8Confident128 Ų12855.9 Ų55.960%0.59835%0.347SS*.Hα-helixtrans-61.9-40.2176.6172.7161.6-149.200112.6P133P133-E135 PolarHBondContact O-N 3.32Å; P133-E135 VanDerWaalsContact O-N 3.08Å
136V81Confident76.2Confident6 Ų659 Ų594%0.03638%0.376CS..Hα-helixtrans-73.7-40.6176.9-178.80000110.1V132 P133 D134 R138 H139 H140 H246 M259 V261V132-V136 HydrophobicContact CG1-CB 3.46Å; V132-V136 VanDerWaalsContact CG1-CB 3.46Å; V132-V136 HydrophobicContact CG1-CG1 3.41Å; V132-V136 VanDerWaalsContact CG1-CG1 3.41Å; P133-V136 HydrophobicContact CB-CG2 4.31Å; P133-V136 HydrophobicContact CG-CG2 4.37Å; P133-V136 WeakPolarHBondContact O-CA 3.26Å; P133-V136 WeakPolarHBondContact O-CB 3.5Å; P133-V136 PolarHBondContact O-N 3.17Å; D134-V136 VanDerWaalsContact C-N 3.31Å; D134-V136 PolarHBondContact O-N 3.02Å; V136-R138 PolarHBondContact O-N 3.35Å; V136-R138 VanDerWaalsContact O-N 3.14Å; V136-H139 PolarHBondContact O-N 3.41Å; V136-H140 PolarHBondContact O-CD2 3.3Å; V136-H246 WeakPolarHBondContact CG1-NE2 3.29Å; V136-H246 WeakPolarHBondContact CG2-CE1 3.35Å; V136-H246 WeakPolarHBondContact CG2-NE2 3.48Å; V136-M259 HydrophobicContact CG2-CE 4.29Å; V136-V261 HydrophobicContact CG1-CB 4.44Å; V136-V261 HydrophobicContact CG1-CG2 4Å
137A81.5Confident77.5Confident9 Ų961.1 Ų61.17%0.07440%0.398CS..Hα-helixtrans-53.1-38.5-177.500000112.8P133 D134 H139 H140 E141P133-A137 PolarHBondContact O-N 2.92Å; D134-A137 PolarHBondContact O-N 3.11Å; A137-H139 VanDerWaalsContact C-N 3.27Å; A137-H139 PolarHBondContact O-N 2.91Å; A137-H140 CarbonylContact O-C 3.57Å; A137-H140 WeakPolarHBondContact O-CA 3.25Å; A137-H140 PolarHBondContact O-N 3.13Å; A137-E141 PolarHBondContact O-N 2.74Å
138R84.7Confident79.4Confident149 Ų14961.1 Ų61.156%0.56239%0.392SS*.G310 helixtrans-58-33.2179.1-68.3-171.7-61.4-1073.6114.4D134 V136 H140D134-R138 PolarHBondContact O-N 2.78Å; V136-R138 PolarHBondContact O-N 3.35Å; V136-R138 VanDerWaalsContact O-N 3.14Å; R138-H140 PolarHBondContact O-N 2.69Å
139H86.4Confident81.4Confident61 Ų6159.7 Ų59.728%0.28238%0.377SS..G310 helixtrans-72.5-16.9177.1-72.7-72.3000113V136 A137 V242 T244V136-H139 PolarHBondContact O-N 3.41Å; A137-H139 VanDerWaalsContact C-N 3.27Å; A137-H139 PolarHBondContact O-N 2.91Å; H139-V242 HydrophobicContact CB-CG1 4.4Å; H139-T244 HydrophobicContact CB-CG2 3.73Å
140H89.4Confident83Confident6 Ų657.3 Ų57.33%0.02837%0.366CS..G310 helixtrans-112.55.1-174.2-59.7-67.7000113.1V136 A137 R138 H142 V242 T244 V261 S263V136-H140 PolarHBondContact O-CD2 3.3Å; A137-H140 CarbonylContact O-C 3.57Å; A137-H140 WeakPolarHBondContact O-CA 3.25Å; A137-H140 PolarHBondContact O-N 3.13Å; R138-H140 PolarHBondContact O-N 2.69Å; H140-H142 PolarHBondContact O-CD2 3.49Å; H140-H142 PolarHBondContact O-N 2.94Å; H140-V242 PolarHBondContact CE1-O 3.24Å; H140-T244 WeakPolarHBondContact NE2-CG2 3.36Å; H140-T244 PolarHBondContact NE2-OG1 3.1Å; H140-V261 PolarHBondContact CE1-O 2.77Å; H140-V261 WeakPolarHBondContact NE2-CB 3.39Å; H140-V261 WeakPolarHBondContact NE2-CG1 3.47Å; H140-S263 WeakPolarHBondContact ND1-CB 3.42Å; H140-S263 PolarHBondContact ND1-OG 2.82Å
141E86.6Confident84.7Confident108 Ų10852.7 Ų52.751%0.50533%0.328SS..  trans-77.4112.7168.7-73.9175.6-168.100109.8V125 A137V125-E141 HydrophobicContact CG1-CB 4.09Å; V125-E141 HydrophobicContact CG1-CG 4.12Å; A137-E141 PolarHBondContact O-N 2.74Å
142H85.8Confident86Confident5 Ų549.6 Ų49.62%0.02329%0.294CS..  trans-108.2132176.6-61.4-76.3000110.5V125 C126 H140 V144 C150 S263 V265V125-H142 WeakPolarHBondContact CA-O 3.18Å; C126-H142 PolarHBondContact N-O 3.46Å; H140-H142 PolarHBondContact O-CD2 3.49Å; H140-H142 PolarHBondContact O-N 2.94Å; H142-V144 PolarHBondContact O-N 2.94Å; H142-C150 HydrophobicContact CB-CB 4.48Å; H142-S263 VanDerWaalsContact NE2-CB 3.31Å; H142-S263 WeakPolarHBondContact NE2-CB 3.38Å; H142-S263 PolarHBondContact NE2-OG 2.75Å; H142-V265 HydrophobicContact CB-CB 4.23Å
143A85.6Confident87.1Confident76 Ų7650 Ų5063%0.62830%0.296SS*.EExtended strand (participates in β ladder)trans-70.6112.9162.600000109V123V123-A143 VanDerWaalsContact CG1-CA 3.45Å; V123-A143 HydrophobicContact CG1-CB 3.58Å
144V87Confident87.9Confident13 Ų1349.7 Ų49.78%0.07929%0.292CS..EExtended strand (participates in β ladder)trans-100.6119.6-178.6-168.40000109.9A124 H142 Q148 C150A124-V144 HydrophobicContact CB-CB 4.43Å; A124-V144 WeakPolarHBondContact O-CB 2.92Å; A124-V144 WeakPolarHBondContact O-CG2 3.41Å; A124-V144 PolarHBondContact O-N 2.95Å; H142-V144 PolarHBondContact O-N 2.94Å; V144-Q148 HydrophobicContact CG1-CB 3.64Å; V144-Q148 VanDerWaalsContact CG1-O 3.32Å; V144-Q148 WeakPolarHBondContact CG1-O 3.25Å; V144-C150 HydrophobicContact CG2-CB 4.06Å; V144-C150 WeakPolarHBondContact CG2-SG 3.44Å
145A90.3Very high88.8Confident45 Ų4545 Ų4537%0.37227%0.266SS..PPolyproline II helixtrans-78.2167.2172.800000111.9G147 Q148A145-G147 PolarHBondContact O-N 3.06Å; A145-Q148 HydrophobicContact CB-CG 4.33Å; A145-Q148 WeakPolarHBondContact O-CB 3.4Å; A145-Q148 PolarHBondContact O-N 3.22Å; A145-Q148 VanDerWaalsContact O-N 3.11Å
146A89.8Confident89.8Confident93 Ų9341.8 Ų41.877%0.76926%0.257SS*.THydrogen-bonded Turntrans-60.4134.217000000110Q148A146-Q148 VanDerWaalsContact C-N 3.31Å
147G93.1Very high90.5Very high53 Ų5341.5 Ų41.555%0.54626%0.256SS..THydrogen-bonded Turntrans825.2-175.400000114.3A145 V268A145-G147 PolarHBondContact O-N 3.06Å; G147-V268 WeakPolarHBondContact O-CB 3.17Å; G147-V268 WeakPolarHBondContact O-CG2 3.33Å; G147-V268 PolarHBondContact O-N 3.3Å
148Q95.4Very high91.2Very high42 Ų4243.8 Ų43.820%0.19628%0.275CS..EExtended strand (participates in β ladder)trans-109.3159172.6-68.4-175.4-37.500111.7V144 A145 A146 V265 V266 D267V144-Q148 HydrophobicContact CG1-CB 3.64Å; V144-Q148 VanDerWaalsContact CG1-O 3.32Å; V144-Q148 WeakPolarHBondContact CG1-O 3.25Å; A145-Q148 HydrophobicContact CB-CG 4.33Å; A145-Q148 WeakPolarHBondContact O-CB 3.4Å; A145-Q148 PolarHBondContact O-N 3.22Å; A145-Q148 VanDerWaalsContact O-N 3.11Å; A146-Q148 VanDerWaalsContact C-N 3.31Å; Q148-V265 HydrophobicContact CB-CG2 4.26Å; Q148-V266 CarbonylContact C-O 3.52Å; Q148-V266 VanDerWaalsContact CA-O 3.29Å; Q148-V266 WeakPolarHBondContact CA-O 3.22Å; Q148-D267 WeakPolarHBondContact CG-OD1 3.44Å; Q148-D267 PolarHBondContact NE2-OD1 2.82Å
149C94.3Very high91.7Very high1 Ų136.7 Ų36.71%0.00725%0.248CC..EExtended strand (participates in β ladder)trans-135.3162.4168.472.70000110.3V265 V266 V268 V274 R278C149-V265 CarbonylContact O-C 3.49Å; C149-V265 WeakPolarHBondContact O-CA 3.15Å; C149-V266 PolarHBondContact N-O 3.03Å; C149-V266 PolarHBondContact O-N 2.88Å; C149-V266 VanDerWaalsContact SG-CG1 3.56Å; C149-V268 HydrophobicContact CB-CG2 4.17Å; C149-V274 HydrophobicContact CB-CG1 3.77Å; C149-R278 HydrophobicContact CB-CG 4.23Å
150C94.4Very high92.2Very high2 Ų236.2 Ų36.21%0.01425%0.25CS..EExtended strand (participates in β ladder)trans-146.8159178.757.60000109.2C126 H142 V144 Y264 V265 R278C126-C150 HydrophobicContact CB-CB 4.07Å; C126-C150 WeakPolarHBondContact CB-SG 3.48Å; C126-C150 WeakPolarHBondContact SG-CB 3.2Å; C126-C150 PolarHBondContact SG-O 2.91Å; C126-C150 VanDerWaalsContact SG-O 3.41Å; C126-C150 CovalentContact SG-SG 2Å; C126-C150 PolarHBondContact SG-SG 3.04Å; H142-C150 HydrophobicContact CB-CB 4.48Å; V144-C150 HydrophobicContact CG2-CB 4.06Å; V144-C150 WeakPolarHBondContact CG2-SG 3.44Å; C150-Y264 WeakPolarHBondContact CA-O 3.32Å; C150-Y264 WeakPolarHBondContact CB-O 3.36Å; C150-V265 HydrophobicContact CB-CB 4.29Å; C150-R278 PolarHBondContact O-NE 2.95Å; C150-R278 PolarHBondContact O-NH2 3.18Å
151A92.7Very high92.6Very high11 Ų1136.2 Ų36.29%0.09125%0.251CS..EExtended strand (participates in β ladder)trans-154.2171166.200000109.3S263 Y264A151-S263 CarbonylContact O-C 3.52Å; A151-S263 VanDerWaalsContact O-CA 3.26Å; A151-S263 WeakPolarHBondContact O-CA 3.44Å; A151-Y264 HydrophobicContact CB-CE1 3.65Å; A151-Y264 PolarHBondContact N-O 3.22Å; A151-Y264 PolarHBondContact O-N 3.47Å
152A92.4Very high93.1Very high11 Ų1135.9 Ų35.99%0.09125%0.253CS..EExtended strand (participates in β ladder)trans-140.7159.3162.200000110.9H129 V261 E262H129-A152 WeakPolarHBondContact CD2-CB 3Å; H129-A152 PolarHBondContact CE1-O 3.02Å; H129-A152 WeakPolarHBondContact NE2-CA 3.28Å; H129-A152 WeakPolarHBondContact NE2-CB 3.47Å; H129-A152 PolarHBondContact NE2-N 3.29Å; H129-A152 PolarHBondContact NE2-O 3.1Å; A152-V261 HydrophobicContact CB-CG1 4.46Å; A152-E262 CarbonylContact C-O 3.54Å; A152-E262 WeakPolarHBondContact CA-O 3.19Å; A152-E262 WeakPolarHBondContact CB-O 3.47Å
153M92.6Very high93.7Very high24 Ų2436.7 Ų36.712%0.11826%0.26CS..EExtended strand (participates in β ladder)trans-132.5143.2-177.6-63.4-170.9173.600109.6V261 E262 D282 V285 R286 L289M153-V261 CarbonylContact O-C 3.59Å; M153-V261 VanDerWaalsContact O-CA 3.29Å; M153-V261 WeakPolarHBondContact O-CA 3.48Å; M153-E262 PolarHBondContact N-O 3.4Å; M153-E262 PolarHBondContact O-N 3.14Å; M153-D282 HydrophobicContact CE-CB 3.22Å; M153-D282 VanDerWaalsContact CE-O 3.28Å; M153-D282 WeakPolarHBondContact CE-O 3.47Å; M153-D282 WeakPolarHBondContact CE-OD1 3.37Å; M153-V285 HydrophobicContact CB-CG1 4.17Å; M153-V285 HydrophobicContact CG-CG1 4.13Å; M153-V285 HydrophobicContact SD-CB 3.89Å; M153-V285 HydrophobicContact SD-CG1 3.68Å; M153-R286 HydrophobicContact SD-CB 3.94Å; M153-L289 HydrophobicContact CB-CD1 3.76Å
154V93.3Very high94.3Very high64 Ų6433.1 Ų33.139%0.38823%0.23SC..EExtended strand (participates in β ladder)trans-115.2132177.7-174.30000107.8V132 M259 V260 V261V132-V154 HydrophobicContact CG2-CG2 3.48Å; V132-V154 VanDerWaalsContact CG2-CG2 3.48Å; V154-M259 HydrophobicContact CG1-CG 3.59Å; V154-M259 HydrophobicContact CG1-SD 3.92Å; V154-V260 CarbonylContact C-O 3.56Å; V154-V260 WeakPolarHBondContact CA-O 3.42Å; V154-V261 HydrophobicContact CG1-CG2 4.32Å; V154-V261 HydrophobicContact CG2-CG1 4.29Å; V154-V261 HydrophobicContact CG2-CG2 4.14Å
155Q94.8Very high94.9Very high38 Ų3833.1 Ų33.118%0.17823%0.229CC..EExtended strand (participates in β ladder)trans-127.9124.9173.2177.969.551.400108.7I157 V260 L289 E293Q155-I157 HydrophobicContact CG-CD1 4.41Å; Q155-I157 HydrophobicContact CG-CG1 3.91Å; Q155-V260 PolarHBondContact N-O 2.83Å; Q155-V260 PolarHBondContact O-N 2.86Å; Q155-L289 HydrophobicContact CB-CB 3.94Å; Q155-L289 HydrophobicContact CB-CD1 4.1Å; Q155-L289 HydrophobicContact CB-CD2 4.45Å; Q155-L289 HydrophobicContact CB-CG 4.39Å; Q155-L289 HydrophobicContact CG-CB 4.2Å; Q155-E293 PolarHBondContact NE2-OE2 3.08Å
156S95Very high95.2Very high60 Ų6033.4 Ų33.442%0.4223%0.228SC..EExtended strand (participates in β ladder)trans-88.4134.6168.3-59.70000109.2T258S156-T258 CarbonylContact C-O 3.54Å; S156-T258 WeakPolarHBondContact CA-O 3.13Å
157I96.6Very high95.6Very high0 Ų029 Ų290%019%0.192CC..EExtended strand (participates in β ladder)trans-127.2123.9-179-56.2-179000107.6Q155 A159 V164 T258 V260 L292 E293 V296Q155-I157 HydrophobicContact CG-CD1 4.41Å; Q155-I157 HydrophobicContact CG-CG1 3.91Å; I157-A159 HydrophobicContact CG2-CB 3.81Å; I157-A159 PolarHBondContact O-N 2.91Å; I157-V164 HydrophobicContact CB-CG2 4.37Å; I157-V164 HydrophobicContact CD1-CG1 4.15Å; I157-V164 HydrophobicContact CD1-CG2 4.32Å; I157-V164 HydrophobicContact CG2-CG2 4.14Å; I157-T258 PolarHBondContact N-O 3.23Å; I157-T258 PolarHBondContact O-N 3.43Å; I157-V260 HydrophobicContact CD1-CG2 3.74Å; I157-V260 HydrophobicContact CG1-CG2 4.41Å; I157-L292 HydrophobicContact CD1-CD2 3.99Å; I157-L292 HydrophobicContact CD1-CG 3.94Å; I157-E293 HydrophobicContact CD1-CB 4.21Å; I157-E293 HydrophobicContact CG1-CB 4.04Å; I157-E293 HydrophobicContact CG1-CG 4.38Å; I157-E293 HydrophobicContact CG2-CB 4.43Å; I157-E293 HydrophobicContact CG2-CG 4.27Å; I157-V296 HydrophobicContact CG2-CB 4.49Å
158A95.4Very high95.9Very high57 Ų5726.8 Ų26.847%0.47117%0.167SC..SBendtrans-74.964.6177.900000111.6P256A158-P256 CarbonylContact C-O 3.45Å
159A96.1Very high96Very high0 Ų027.8 Ų27.80%017%0.17CC..SBendtrans-149.7157.1-177.100000110.8I157 V164 P256 T258 V296 L300I157-A159 HydrophobicContact CG2-CB 3.81Å; I157-A159 PolarHBondContact O-N 2.91Å; A159-V164 HydrophobicContact CB-CG2 4.04Å; A159-P256 PolarHBondContact N-O 3.25Å; A159-T258 PolarHBondContact O-N 3.21Å; A159-T258 PolarHBondContact O-OG1 3.18Å; A159-V296 HydrophobicContact CB-CG1 3.35Å; A159-L300 HydrophobicContact CB-CD1 3.65Å
160P96.4Very high96.2Very high52 Ų5231.6 Ų31.634%0.33818%0.184SC..  trans-59.9145.9168.7-18.129.6000112.4D162 A163 V164 P256 T258P160-D162 VanDerWaalsContact C-N 3.25Å; P160-D162 PolarHBondContact O-N 2.95Å; P160-A163 HydrophobicContact CB-CB 4.5Å; P160-A163 WeakPolarHBondContact O-CB 3.39Å; P160-A163 PolarHBondContact O-N 3Å; P160-A163 VanDerWaalsContact O-N 3.14Å; P160-V164 PolarHBondContact O-N 2.98Å; P160-P256 HydrophobicContact CB-CB 4.47Å; P160-P256 HydrophobicContact CB-CG 4.48Å; P160-P256 HydrophobicContact CG-CB 4.31Å; P160-P256 HydrophobicContact CG-CG 3.8Å; P160-T258 VanDerWaalsContact C-OG1 3.32Å
161V97.2Very high96.4Very high5 Ų531.6 Ų31.63%0.0318%0.184CC..Hα-helixtrans-58.7-38-177.872.80000112.3A163 V164 W165 R223 V245 E247 T258V161-A163 VanDerWaalsContact C-N 3.35Å; V161-A163 PolarHBondContact O-N 2.88Å; V161-V164 PolarHBondContact O-N 3.44Å; V161-W165 VanDerWaalsContact O-CB 3.31Å; V161-W165 WeakPolarHBondContact O-CB 3.4Å; V161-W165 PolarHBondContact O-N 2.95Å; V161-R223 VanDerWaalsContact CG2-CD 3.49Å; V161-V245 HydrophobicContact CG2-CG1 3.76Å; V161-E247 HydrophobicContact CB-CG 3.63Å; V161-E247 HydrophobicContact CG1-CG 3.58Å; V161-E247 VanDerWaalsContact CG1-OE1 3.28Å; V161-E247 WeakPolarHBondContact CG1-OE1 3.36Å; V161-E247 HydrophobicContact CG2-CG 4.09Å; V161-T258 WeakPolarHBondContact CA-OG1 3.47Å; V161-T258 HydrophobicContact CG2-CG2 4.22Å; V161-T258 PolarHBondContact N-OG1 2.92Å; V161-T258 VanDerWaalsContact N-OG1 3.14Å
162D97.5Very high96.6Very high102 Ų10232.5 Ų32.555%0.54519%0.187SC..Hα-helixtrans-70.9-32.9-177.7-63.6-28.3000111.8P160 S166 R223P160-D162 VanDerWaalsContact C-N 3.25Å; P160-D162 PolarHBondContact O-N 2.95Å; D162-S166 VanDerWaalsContact O-CB 3.23Å; D162-S166 WeakPolarHBondContact O-CB 3.19Å; D162-S166 PolarHBondContact O-N 3.31Å; D162-R223 IonicContact OD1-CZ 3.24Å; D162-R223 IonicContact OD1-NE 3.39Å; D162-R223 IonicContact OD1-NH2 3.65Å; D162-R223 PolarHBondContact OD1-NH2 2.78Å
163A97.9Very high96.9Very high22 Ų2234 Ų3418%0.18219%0.192CC..Hα-helixtrans-64.3-45.3174.200000110.5P160 V161 S166 V296 L300P160-A163 HydrophobicContact CB-CB 4.5Å; P160-A163 WeakPolarHBondContact O-CB 3.39Å; P160-A163 PolarHBondContact O-N 3Å; P160-A163 VanDerWaalsContact O-N 3.14Å; V161-A163 VanDerWaalsContact C-N 3.35Å; V161-A163 PolarHBondContact O-N 2.88Å; A163-S166 PolarHBondContact O-OG 3.04Å; A163-V296 HydrophobicContact CB-CG1 4.12Å; A163-L300 HydrophobicContact CB-CD2 4.2Å
164V98.5Very high97.1Very high0 Ų033 Ų330%019%0.187CC..Hα-helixtrans-65.1-48.9176.2-178.80000111I157 A159 P160 V161 S166 L167 V168 V245 T258 V260 L292 V296I157-V164 HydrophobicContact CB-CG2 4.37Å; I157-V164 HydrophobicContact CD1-CG1 4.15Å; I157-V164 HydrophobicContact CD1-CG2 4.32Å; I157-V164 HydrophobicContact CG2-CG2 4.14Å; A159-V164 HydrophobicContact CB-CG2 4.04Å; P160-V164 PolarHBondContact O-N 2.98Å; V161-V164 PolarHBondContact O-N 3.44Å; V164-S166 VanDerWaalsContact C-N 3.29Å; V164-S166 PolarHBondContact O-N 3.14Å; V164-L167 PolarHBondContact O-N 2.87Å; V164-L167 VanDerWaalsContact O-N 3.17Å; V164-V168 HydrophobicContact CG1-CG2 4.16Å; V164-V168 WeakPolarHBondContact O-CG2 3.47Å; V164-V168 PolarHBondContact O-N 3.27Å; V164-V168 VanDerWaalsContact O-N 3.1Å; V164-V245 HydrophobicContact CB-CG1 4.1Å; V164-V245 HydrophobicContact CG1-CG1 3.81Å; V164-V245 HydrophobicContact CG1-CG2 4.45Å; V164-T258 HydrophobicContact CB-CG2 3.98Å; V164-T258 HydrophobicContact CG1-CG2 4.11Å; V164-T258 HydrophobicContact CG2-CG2 3.82Å; V164-V260 HydrophobicContact CG1-CG2 3.63Å; V164-L292 HydrophobicContact CG1-CD2 4.03Å; V164-L292 HydrophobicContact CG1-CG 4.46Å; V164-V296 HydrophobicContact CG2-CG1 4.13Å; V164-V296 HydrophobicContact CG2-CG2 4.21Å
165W98.5Very high97.3Very high13 Ų1333.2 Ų33.25%0.04918%0.184CC..Hα-helixtrans-62.5-36.1-178.5-175.5-122.9000112.2V161 L167 V168 R169 D220 R223 I225 V245V161-W165 VanDerWaalsContact O-CB 3.31Å; V161-W165 WeakPolarHBondContact O-CB 3.4Å; V161-W165 PolarHBondContact O-N 2.95Å; W165-L167 PolarHBondContact O-N 3.23Å; W165-L167 VanDerWaalsContact O-N 3.1Å; W165-V168 HydrophobicContact CE3-CB 3.98Å; W165-V168 HydrophobicContact CE3-CG1 3.92Å; W165-V168 HydrophobicContact CZ3-CB 4.25Å; W165-V168 HydrophobicContact CZ3-CG1 3.7Å; W165-V168 PolarHBondContact O-N 3.4Å; W165-R169 HydrophobicContact CD2-CB 3.93Å; W165-R169 HydrophobicContact CE3-CB 4.36Å; W165-R169 HydrophobicContact CG-CB 4.47Å; W165-R169 HydrophobicContact CH2-CB 4.1Å; W165-R169 HydrophobicContact CZ2-CB 3.63Å; W165-R169 HydrophobicContact CZ3-CB 4.45Å; W165-R169 VanDerWaalsContact O-CB 3.29Å; W165-R169 WeakPolarHBondContact O-CB 3.37Å; W165-R169 WeakPolarHBondContact O-CG 3.29Å; W165-R169 PolarHBondContact O-N 2.9Å; W165-D220 WeakPolarHBondContact CZ2-OD1 3.44Å; W165-D220 PolarHBondContact NE1-OD1 2.91Å; W165-R223 HydrophobicContact CB-CG 4.43Å; W165-R223 HydrophobicContact CD2-CB 3.71Å; W165-R223 HydrophobicContact CD2-CG 3.91Å; W165-R223 HydrophobicContact CE3-CB 3.78Å; W165-R223 HydrophobicContact CE3-CG 4.47Å; W165-R223 HydrophobicContact CG-CB 4.16Å; W165-R223 HydrophobicContact CG-CG 3.86Å; W165-R223 HydrophobicContact CH2-CB 4.43Å; W165-R223 HydrophobicContact CZ2-CB 4.37Å; W165-R223 VanDerWaalsContact CZ3-C 3.43Å; W165-R223 HydrophobicContact CZ3-CB 4.14Å; W165-R223 WeakPolarHBondContact CZ3-O 3.33Å; W165-I225 HydrophobicContact CH2-CB 3.91Å; W165-I225 HydrophobicContact CH2-CG2 4.25Å; W165-I225 HydrophobicContact CZ3-CB 4.3Å; W165-I225 HydrophobicContact CZ3-CG2 4.12Å; W165-V245 HydrophobicContact CE3-CB 4.14Å; W165-V245 HydrophobicContact CE3-CG2 3.74Å; W165-V245 HydrophobicContact CZ3-CG2 4.2Å
166S97.9Very high97.4Very high52 Ų5237.2 Ų37.236%0.36420%0.197SC..Hα-helixtrans-56.7-28.1177.4790000113.7D162 A163 V164 R170D162-S166 VanDerWaalsContact O-CB 3.23Å; D162-S166 WeakPolarHBondContact O-CB 3.19Å; D162-S166 PolarHBondContact O-N 3.31Å; A163-S166 PolarHBondContact O-OG 3.04Å; V164-S166 VanDerWaalsContact C-N 3.29Å; V164-S166 PolarHBondContact O-N 3.14Å; S166-R170 WeakPolarHBondContact O-CG 3.47Å
167L98.4Very high97.6Very high1 Ų135 Ų351%0.00518%0.18CC..Hα-helixtrans-88.4-48.1173.5-67.1178.4000111.9V164 W165 R169 R170 R176 L292 T295 V296V164-L167 PolarHBondContact O-N 2.87Å; V164-L167 VanDerWaalsContact O-N 3.17Å; W165-L167 PolarHBondContact O-N 3.23Å; W165-L167 VanDerWaalsContact O-N 3.1Å; L167-R169 VanDerWaalsContact C-N 3.32Å; L167-R169 PolarHBondContact O-N 2.6Å; L167-R170 PolarHBondContact O-N 3.3Å; L167-R176 HydrophobicContact CD2-CB 4.39Å; L167-L292 HydrophobicContact CB-CD1 3.95Å; L167-L292 HydrophobicContact CD1-CD1 3.94Å; L167-T295 HydrophobicContact CD1-CG2 3.67Å; L167-V296 HydrophobicContact CD1-CG2 3.49Å; L167-V296 VanDerWaalsContact CD1-CG2 3.49Å
168V98.5Very high97.6Very high5 Ų535.6 Ų35.63%0.0318%0.182CC..Hα-helixtrans-62.2-39.5-174.4172.90000111.6V164 W165 R170 I225 T243 V245 L292V164-V168 HydrophobicContact CG1-CG2 4.16Å; V164-V168 WeakPolarHBondContact O-CG2 3.47Å; V164-V168 PolarHBondContact O-N 3.27Å; V164-V168 VanDerWaalsContact O-N 3.1Å; W165-V168 HydrophobicContact CE3-CB 3.98Å; W165-V168 HydrophobicContact CE3-CG1 3.92Å; W165-V168 HydrophobicContact CZ3-CB 4.25Å; W165-V168 HydrophobicContact CZ3-CG1 3.7Å; W165-V168 PolarHBondContact O-N 3.4Å; V168-R170 PolarHBondContact O-N 2Å; V168-I225 HydrophobicContact CG1-CG2 3.67Å; V168-T243 HydrophobicContact CG1-CG2 3.8Å; V168-V245 HydrophobicContact CB-CG2 4.29Å; V168-V245 HydrophobicContact CG1-CG2 4.09Å; V168-V245 HydrophobicContact CG2-CG2 4.2Å; V168-L292 HydrophobicContact CG2-CD1 4Å; V168-L292 HydrophobicContact CG2-CD2 3.52Å; V168-L292 HydrophobicContact CG2-CG 4.42Å
169R98Very high97.5Very high64 Ų6441.1 Ų41.124%0.24219%0.191CC..THydrogen-bonded Turntrans-69.4-12.7-177.576-174.1-72.4-91.43.2115W165 L167 F171 R218 D220W165-R169 HydrophobicContact CD2-CB 3.93Å; W165-R169 HydrophobicContact CE3-CB 4.36Å; W165-R169 HydrophobicContact CG-CB 4.47Å; W165-R169 HydrophobicContact CH2-CB 4.1Å; W165-R169 HydrophobicContact CZ2-CB 3.63Å; W165-R169 HydrophobicContact CZ3-CB 4.45Å; W165-R169 VanDerWaalsContact O-CB 3.29Å; W165-R169 WeakPolarHBondContact O-CB 3.37Å; W165-R169 WeakPolarHBondContact O-CG 3.29Å; W165-R169 PolarHBondContact O-N 2.9Å; L167-R169 VanDerWaalsContact C-N 3.32Å; L167-R169 PolarHBondContact O-N 2.6Å; R169-F171 PolarHBondContact O-N 2.76Å; R169-F171 VanDerWaalsContact O-N 3.07Å; R169-R218 VanDerWaalsContact CZ-NH2 3.3Å; R169-D220 IonicContact CZ-OD1 2.76Å; R169-D220 IonicContact CZ-OD2 3.67Å; R169-D220 IonicContact NE-OD1 3.85Å; R169-D220 PolarHBondContact NE-OD1 2.91Å; R169-D220 IonicContact NE-OD2 3.84Å; R169-D220 IonicContact NH2-OD1 3.5Å; R169-D220 PolarHBondContact NH2-OD1 2.8Å; R169-D220 IonicContact NH2-OD2 3.62Å; R169-D220 PolarHBondContact NH2-OD2 3.15Å
170R97.9Very high97.4Very high81 Ų8143.6 Ų43.631%0.30620%0.202SC..  trans-8381.3-177.6-63.6-59-59.9-137.71.6110.2S166 L167 V168 D172 Q173S166-R170 WeakPolarHBondContact O-CG 3.47Å; L167-R170 PolarHBondContact O-N 3.3Å; V168-R170 PolarHBondContact O-N 2Å; R170-D172 IonicContact CZ-OD1 2.7Å; R170-D172 IonicContact CZ-OD2 3.92Å; R170-D172 IonicContact NE-OD1 3.97Å; R170-D172 PolarHBondContact NE-OD1 2.93Å; R170-D172 IonicContact NE-OD2 2.68Å; R170-D172 IonicContact NH2-OD1 3.59Å; R170-D172 PolarHBondContact NH2-OD1 2.85Å; R170-D172 IonicContact NH2-OD2 3.38Å; R170-D172 PolarHBondContact NH2-OD2 2.98Å; R170-D172 PolarHBondContact O-N 2.9Å; R170-Q173 HydrophobicContact CB-CB 4.04Å; R170-Q173 CarbonylContact O-C 3.52Å; R170-Q173 PolarHBondContact O-N 3.27Å
171F98.4Very high97.4Very high2 Ų241.9 Ų41.91%0.00919%0.19CC..THydrogen-bonded Turntrans-57.7-29.9173.9-178.3-106.9000112.3R169 P174 L186 G191 S196 R198 E213 L215 I225 F227R169-F171 PolarHBondContact O-N 2.76Å; R169-F171 VanDerWaalsContact O-N 3.07Å; F171-P174 WeakPolarHBondContact O-CD 3.44Å; F171-L186 HydrophobicContact CD1-CD2 4.33Å; F171-G191 WeakPolarHBondContact CB-O 3.31Å; F171-S196 WeakPolarHBondContact CE1-O 3.49Å; F171-R198 HydrophobicContact CE1-CB 3.82Å; F171-R198 HydrophobicContact CE1-CG 3.82Å; F171-R198 HydrophobicContact CE2-CG 4.13Å; F171-R198 HydrophobicContact CZ-CB 4.07Å; F171-R198 VanDerWaalsContact CZ-CD 3.5Å; F171-R198 HydrophobicContact CZ-CG 3.54Å; F171-R198 WeakPolarHBondContact O-CD 3.3Å; F171-R198 PolarHBondContact O-NH1 2.86Å; F171-E213 HydrophobicContact CZ-CB 4.45Å; F171-L215 HydrophobicContact CB-CD1 4.22Å; F171-L215 HydrophobicContact CB-CD2 4.31Å; F171-L215 HydrophobicContact CD1-CB 3.97Å; F171-L215 HydrophobicContact CD1-CD2 4.45Å; F171-L215 HydrophobicContact CD2-CB 4.11Å; F171-L215 HydrophobicContact CD2-CD1 3.9Å; F171-L215 HydrophobicContact CE1-CB 3.91Å; F171-L215 HydrophobicContact CE2-CB 4.08Å; F171-L215 HydrophobicContact CE2-CD1 4.49Å; F171-L215 HydrophobicContact CG-CB 4.06Å; F171-L215 HydrophobicContact CG-CD1 4.04Å; F171-L215 HydrophobicContact CG-CD2 4.32Å; F171-L215 HydrophobicContact CG-CG 4.38Å; F171-L215 HydrophobicContact CZ-CB 3.96Å; F171-I225 HydrophobicContact CB-CD1 4.29Å; F171-F227 HydrophobicContact CD2-CB 4.38Å; F171-F227 HydrophobicContact CE2-CB 3.72Å; F171-F227 HydrophobicContact CE2-CG 4.46Å
172D98Very high97.4Very high29 Ų2950.5 Ų50.516%0.15522%0.222CC..THydrogen-bonded Turntrans-77.9-16.6177.566.7-45.2000114.2R170 P174 C184 L186R170-D172 IonicContact CZ-OD1 2.7Å; R170-D172 IonicContact CZ-OD2 3.92Å; R170-D172 IonicContact NE-OD1 3.97Å; R170-D172 PolarHBondContact NE-OD1 2.93Å; R170-D172 IonicContact NE-OD2 2.68Å; R170-D172 IonicContact NH2-OD1 3.59Å; R170-D172 PolarHBondContact NH2-OD1 2.85Å; R170-D172 IonicContact NH2-OD2 3.38Å; R170-D172 PolarHBondContact NH2-OD2 2.98Å; R170-D172 PolarHBondContact O-N 2.9Å; D172-P174 VanDerWaalsContact C-CD 3.43Å; D172-C184 PolarHBondContact O-SG 3.41Å; D172-L186 HydrophobicContact CB-CD1 3.92Å; D172-L186 HydrophobicContact CB-CD2 4.11Å; D172-L186 HydrophobicContact CB-CG 4.08Å
173Q97.9Very high97.3Very high44 Ų4447.6 Ų47.621%0.20621%0.21CC..  trans-131.648.3-173.8-64.4170.6-300114.2R170 Q175 R176R170-Q173 HydrophobicContact CB-CB 4.04Å; R170-Q173 CarbonylContact O-C 3.52Å; R170-Q173 PolarHBondContact O-N 3.27Å; Q173-Q175 VanDerWaalsContact CA-OE1 3.28Å; Q173-Q175 PolarHBondContact O-N 2.98Å; Q173-R176 HydrophobicContact CB-CG 4.2Å; Q173-R176 WeakPolarHBondContact O-CB 3.41Å; Q173-R176 PolarHBondContact O-N 3.44Å
174P97.8Very high97.4Very high3 Ų347.5 Ų47.52%0.01921%0.208CC..G310 helixtrans-63.7-28-179.431-38.7000113.1F171 D172 R176 Y177 K178 I181 C184 L200F171-P174 WeakPolarHBondContact O-CD 3.44Å; D172-P174 VanDerWaalsContact C-CD 3.43Å; P174-R176 PolarHBondContact O-N 3.32Å; P174-Y177 PolarHBondContact O-N 3.33Å; P174-Y177 VanDerWaalsContact O-N 3.15Å; P174-K178 HydrophobicContact CB-CD 4.19Å; P174-K178 HydrophobicContact CB-CG 4.39Å; P174-K178 WeakPolarHBondContact O-CB 3.4Å; P174-K178 PolarHBondContact O-N 3.46Å; P174-I181 HydrophobicContact CB-CD1 3.63Å; P174-I181 HydrophobicContact CG-CD1 3.59Å; P174-C184 HydrophobicContact CG-CB 4.01Å; P174-L200 HydrophobicContact CG-CD2 3.79Å
175Q97.2Very high97.3Very high68 Ų6851 Ų5132%0.31822%0.223SC..G310 helixtrans-60.1-15.4178.971.5-78.27.500113.9Q173 Y177 I181 C184Q173-Q175 VanDerWaalsContact CA-OE1 3.28Å; Q173-Q175 PolarHBondContact O-N 2.98Å; Q175-Y177 PolarHBondContact O-N 3.42Å; Q175-I181 HydrophobicContact CB-CB 4.11Å; Q175-I181 HydrophobicContact CB-CG2 3.87Å; Q175-C184 VanDerWaalsContact OE1-CB 3.25Å
176R97.1Very high97.3Very high121 Ų12153.3 Ų53.346%0.45724%0.237SC..G310 helixtrans-60.9-27.6174.6-73.9-175.9168.7-167.5-0.5113L167 Q173 P174 T295L167-R176 HydrophobicContact CD2-CB 4.39Å; Q173-R176 HydrophobicContact CB-CG 4.2Å; Q173-R176 WeakPolarHBondContact O-CB 3.41Å; Q173-R176 PolarHBondContact O-N 3.44Å; P174-R176 PolarHBondContact O-N 3.32Å; R176-T295 PolarHBondContact O-OG1 2.71Å
177Y97.6Very high97.3Very high14 Ų1454 Ų546%0.05524%0.239CC..THydrogen-bonded Turntrans-138.3-21.6175.975-89.5000114P174 Q175 R179 N288 S291 L292P174-Y177 PolarHBondContact O-N 3.33Å; P174-Y177 VanDerWaalsContact O-N 3.15Å; Q175-Y177 PolarHBondContact O-N 3.42Å; Y177-R179 PolarHBondContact O-N 2.97Å; Y177-R179 VanDerWaalsContact O-N 3.15Å; Y177-N288 WeakPolarHBondContact CD2-O 3.38Å; Y177-N288 HydrophobicContact CE2-CB 4.31Å; Y177-S291 WeakPolarHBondContact O-CB 3.21Å; Y177-S291 PolarHBondContact O-OG 3.45Å; Y177-L292 HydrophobicContact CD1-CD1 4.06Å; Y177-L292 HydrophobicContact CD2-CB 3.67Å; Y177-L292 HydrophobicContact CD2-CD1 4.18Å; Y177-L292 HydrophobicContact CD2-CG 4.42Å; Y177-L292 HydrophobicContact CE1-CD1 4.44Å; Y177-L292 HydrophobicContact CE2-CB 4.21Å; Y177-L292 HydrophobicContact CG-CB 4.09Å; Y177-L292 HydrophobicContact CG-CD1 3.92Å
178K96.8Very high97.3Very high12 Ų1259 Ų595%0.05227%0.265CS..  trans-8392.6175.3-59.8-161.5177.8-140.90110.2P174 F180 I181 E262 N288P174-K178 HydrophobicContact CB-CD 4.19Å; P174-K178 HydrophobicContact CB-CG 4.39Å; P174-K178 WeakPolarHBondContact O-CB 3.4Å; P174-K178 PolarHBondContact O-N 3.46Å; K178-F180 PolarHBondContact O-N 3Å; K178-F180 VanDerWaalsContact O-N 3.14Å; K178-I181 HydrophobicContact CB-CD1 3.72Å; K178-I181 HydrophobicContact CB-CG1 4.18Å; K178-I181 HydrophobicContact CD-CD1 4.21Å; K178-I181 HydrophobicContact CG-CD1 4.49Å; K178-I181 WeakPolarHBondContact O-CB 3.17Å; K178-I181 PolarHBondContact O-N 3.27Å; K178-E262 IonicContact NZ-OE1 3.78Å; K178-E262 IonicContact NZ-OE2 2.79Å; K178-N288 HydrophobicContact CG-CB 4.25Å
179R94.2Very high97.2Very high174 Ų17461 Ų6166%0.65729%0.287SS*.THydrogen-bonded Turntrans-63.8-19.1-169.9-62.5-174.9-179.9-132.6-2.2115.9Y177 I181 V203 S291Y177-R179 PolarHBondContact O-N 2.97Å; Y177-R179 VanDerWaalsContact O-N 3.15Å; R179-I181 PolarHBondContact O-N 3.18Å; R179-V203 WeakPolarHBondContact O-CG1 3.15Å; R179-S291 WeakPolarHBondContact CG-OG 3.31Å; R179-S291 PolarHBondContact NE-OG 3.15Å
180F93.9Very high97.2Very high51 Ų5162.1 Ų62.122%0.22430%0.298CS..THydrogen-bonded Turntrans-76.9-9.1176-62.4-61.5000113K178 L202 V203 L206 I284 C287K178-F180 PolarHBondContact O-N 3Å; K178-F180 VanDerWaalsContact O-N 3.14Å; F180-L202 CarbonylContact O-C 3.6Å; F180-L202 VanDerWaalsContact O-CA 3.31Å; F180-L202 WeakPolarHBondContact O-CA 3.01Å; F180-V203 HydrophobicContact CD1-CG2 4.43Å; F180-V203 PolarHBondContact O-N 3.34Å; F180-L206 HydrophobicContact CB-CD1 3.95Å; F180-L206 HydrophobicContact CD1-CD1 3.94Å; F180-L206 HydrophobicContact CD1-CD2 4.14Å; F180-L206 HydrophobicContact CE1-CD2 4.44Å; F180-L206 HydrophobicContact CG-CD1 4.32Å; F180-I284 HydrophobicContact CD2-CG2 4.34Å; F180-C287 HydrophobicContact CE2-CB 3.79Å; F180-C287 HydrophobicContact CZ-CB 4.28Å
181I96.4Very high97.1Very high17 Ų1758.4 Ų58.49%0.08729%0.285CS..EExtended strand (participates in β ladder)trans-97.3119.5178.5-56.4174.4000108.6P174 Q175 K178 R179 S183 L200 L202P174-I181 HydrophobicContact CB-CD1 3.63Å; P174-I181 HydrophobicContact CG-CD1 3.59Å; Q175-I181 HydrophobicContact CB-CB 4.11Å; Q175-I181 HydrophobicContact CB-CG2 3.87Å; K178-I181 HydrophobicContact CB-CD1 3.72Å; K178-I181 HydrophobicContact CB-CG1 4.18Å; K178-I181 HydrophobicContact CD-CD1 4.21Å; K178-I181 HydrophobicContact CG-CD1 4.49Å; K178-I181 WeakPolarHBondContact O-CB 3.17Å; K178-I181 PolarHBondContact O-N 3.27Å; R179-I181 PolarHBondContact O-N 3.18Å; I181-S183 VanDerWaalsContact CG2-O 3.29Å; I181-S183 WeakPolarHBondContact CG2-O 3.45Å; I181-L200 HydrophobicContact CD1-CD1 3.68Å; I181-L200 HydrophobicContact CD1-CD2 4.19Å; I181-L200 HydrophobicContact CD1-CG 4.47Å; I181-L200 HydrophobicContact CG1-CD1 4.2Å; I181-L200 HydrophobicContact CG2-CB 4.37Å; I181-L200 HydrophobicContact CG2-CD2 4.09Å; I181-L202 HydrophobicContact CG1-CD2 4.35Å
182R96.4Very high97Very high185 Ų18559.5 Ų59.570%0.69829%0.294SS*.EExtended strand (participates in β ladder)trans-76.8-47172.8179.9-176.3175.4-141.4-1.9111.1L201 V203R182-L201 WeakPolarHBondContact CB-O 3.45Å; R182-L201 PolarHBondContact N-O 2.76Å; R182-V203 HydrophobicContact CB-CG1 4.24Å
183S97.1Very high96.9Very high41 Ų4164.1 Ų64.129%0.28732%0.315SS..EExtended strand (participates in β ladder)trans-150.8158179.159.10000111.2I181 L200 L201I181-S183 VanDerWaalsContact CG2-O 3.29Å; I181-S183 WeakPolarHBondContact CG2-O 3.45Å; S183-L200 WeakPolarHBondContact O-CA 3.33Å; S183-L201 PolarHBondContact N-O 2.72Å; S183-L201 PolarHBondContact O-N 2.85Å
184C98Very high96.9Very high21 Ų2166 Ų6614%0.14233%0.329CS..EExtended strand (participates in β ladder)trans-134.2135.4177.41740000108.2D172 P174 Q175 L200D172-C184 PolarHBondContact O-SG 3.41Å; P174-C184 HydrophobicContact CG-CB 4.01Å; Q175-C184 VanDerWaalsContact OE1-CB 3.25Å; C184-L200 HydrophobicContact CB-CD2 3.59Å; C184-L200 VanDerWaalsContact SG-CD2 3.52Å
185H97.4Very high97Very high72 Ų7266.5 Ų66.533%0.33334%0.335SS..EExtended strand (participates in β ladder)trans-133141.6171.354.7-81000110R198 E199H185-R198 CarbonylContact O-C 3.52Å; H185-R198 WeakPolarHBondContact O-CA 3.23Å; H185-E199 IonicContact CD2-OE2 2.61Å; H185-E199 VanDerWaalsContact CE1-CG 3.48Å; H185-E199 WeakPolarHBondContact CE1-CG 3.45Å; H185-E199 IonicContact CE1-OE2 3.08Å; H185-E199 PolarHBondContact CE1-OE2 3.23Å; H185-E199 PolarHBondContact N-O 2.82Å; H185-E199 PolarHBondContact ND1-O 2.97Å; H185-E199 VanDerWaalsContact NE2-CB 3.32Å; H185-E199 WeakPolarHBondContact NE2-CB 3.47Å; H185-E199 WeakPolarHBondContact NE2-CG 3.44Å; H185-E199 IonicContact NE2-OE2 3.58Å; H185-E199 PolarHBondContact NE2-OE2 2.83Å; H185-E199 PolarHBondContact O-N 3.15Å
186L98.4Very high97Very high62 Ų6263.4 Ų63.433%0.32532%0.321SS..EExtended strand (participates in β ladder)trans-77.5130.8172.4-65.9169.5000108.6F171 D172 D190 R198F171-L186 HydrophobicContact CD1-CD2 4.33Å; D172-L186 HydrophobicContact CB-CD1 3.92Å; D172-L186 HydrophobicContact CB-CD2 4.11Å; D172-L186 HydrophobicContact CB-CG 4.08Å; L186-D190 WeakPolarHBondContact CD1-O 3.29Å; L186-R198 HydrophobicContact CD2-CB 4.25Å
187V97.7Very high97.1Very high67 Ų6758.3 Ų58.341%0.40630%0.303SS..EExtended strand (participates in β ladder)trans-107.2-20.9176.2-62.10000111.8V197 E199V187-V197 HydrophobicContact CG2-CB 3.69Å; V187-V197 HydrophobicContact CG2-CG1 3.41Å; V187-V197 VanDerWaalsContact CG2-CG1 3.41Å; V187-V197 WeakPolarHBondContact CG2-O 3.36Å; V187-V197 PolarHBondContact N-O 2.95Å; V187-E199 HydrophobicContact CG1-CB 3.69Å
188D98.2Very high97.1Very high105 Ų10558.1 Ų58.156%0.56130%0.302SS*.EExtended strand (participates in β ladder)trans-150.9144.5172.2-166.98.7000109.9S196 V197D188-S196 CarbonylContact O-C 3.52Å; D188-S196 WeakPolarHBondContact O-CA 3.37Å; D188-V197 HydrophobicContact CB-CB 3.97Å; D188-V197 HydrophobicContact CB-CG2 4.11Å; D188-V197 PolarHBondContact N-O 2.81Å; D188-V197 PolarHBondContact O-N 3.05Å
189G97.7Very high97.2Very high48 Ų4859.5 Ų59.550%0.49531%0.309SS..SBendtrans69.4-170.7-174.700000114.8
190D96.9Very high97.4Very high88 Ų8851.3 Ų51.347%0.47128%0.278SS..  trans-1072.5-174.763.9-1.2000113.2L186 A192 E193 S196L186-D190 WeakPolarHBondContact CD1-O 3.29Å; D190-A192 PolarHBondContact O-N 2.98Å; D190-A192 WeakPolarHBondContact OD1-CA 3.2Å; D190-A192 WeakPolarHBondContact OD1-CB 2.99Å; D190-A192 PolarHBondContact OD1-N 3.48Å; D190-E193 PolarHBondContact OD1-N 3.47Å; D190-S196 PolarHBondContact N-OG 2.78Å
191G96Very high97.5Very high3 Ų351.9 Ų51.93%0.03128%0.283CS..SBendtrans722.3-175.900000113.9F171 S196F171-G191 WeakPolarHBondContact CB-O 3.31Å; G191-S196 PolarHBondContact N-OG 3.04Å
192A95.8Very high97.5Very high25 Ų2552.5 Ų52.521%0.20729%0.287CS..SBendtrans-104.2-38.8175.100000111D190 R218D190-A192 PolarHBondContact O-N 2.98Å; D190-A192 WeakPolarHBondContact OD1-CA 3.2Å; D190-A192 WeakPolarHBondContact OD1-CB 2.99Å; D190-A192 PolarHBondContact OD1-N 3.48Å; A192-R218 VanDerWaalsContact C-NH1 3.28Å; A192-R218 WeakPolarHBondContact O-CD 3.34Å; A192-R218 PolarHBondContact O-NH1 3.3Å
193E96.9Very high97.3Very high125 Ų12546.1 Ų46.158%0.58427%0.268SS*.SBendtrans-87.8139.8-177.7-66-55.7134.500112.5D190 G195 S196D190-E193 PolarHBondContact OD1-N 3.47Å; E193-G195 PolarHBondContact O-N 3.09Å; E193-S196 VanDerWaalsContact O-CB 3.26Å; E193-S196 WeakPolarHBondContact O-CB 3.09Å; E193-S196 PolarHBondContact O-N 2.89Å; E193-S196 PolarHBondContact O-OG 2.95Å
194V98.4Very high97Very high84 Ų8450 Ų5051%0.50930%0.295SS..THydrogen-bonded Turntrans-56.5134.5173.7171.80000109.6E216 R218V194-E216 WeakPolarHBondContact CG1-O 3.32Å; V194-R218 HydrophobicContact CG2-CB 4.31Å
195G98.3Very high96.4Very high13 Ų1352.4 Ų52.413%0.13432%0.324CS..THydrogen-bonded Turntrans98.8-15.4-172.100000114.2E193 V197 L215E193-G195 PolarHBondContact O-N 3.09Å; G195-V197 WeakPolarHBondContact O-CG2 3.32Å; G195-L215 PolarHBondContact N-O 3.1Å
196S98.6Very high95.7Very high3 Ų350.9 Ų50.92%0.02132%0.318CS..  trans-52.6141.3170.9-64.50000111.2F171 D188 D190 G191 E193 R214 L215F171-S196 WeakPolarHBondContact CE1-O 3.49Å; D188-S196 CarbonylContact O-C 3.52Å; D188-S196 WeakPolarHBondContact O-CA 3.37Å; D190-S196 PolarHBondContact N-OG 2.78Å; G191-S196 PolarHBondContact N-OG 3.04Å; E193-S196 VanDerWaalsContact O-CB 3.26Å; E193-S196 WeakPolarHBondContact O-CB 3.09Å; E193-S196 PolarHBondContact O-N 2.89Å; E193-S196 PolarHBondContact O-OG 2.95Å; S196-R214 WeakPolarHBondContact O-CA 3.47Å; S196-L215 PolarHBondContact O-N 3.32Å
197V98.7Very high94.8Very high15 Ų1551.8 Ų51.89%0.09133%0.328CS..EExtended strand (participates in β ladder)trans-120.6131.9-179.6-174.20000109V187 D188 G195 E213 R214 L230V187-V197 HydrophobicContact CG2-CB 3.69Å; V187-V197 HydrophobicContact CG2-CG1 3.41Å; V187-V197 VanDerWaalsContact CG2-CG1 3.41Å; V187-V197 WeakPolarHBondContact CG2-O 3.36Å; V187-V197 PolarHBondContact N-O 2.95Å; D188-V197 HydrophobicContact CB-CB 3.97Å; D188-V197 HydrophobicContact CB-CG2 4.11Å; D188-V197 PolarHBondContact N-O 2.81Å; D188-V197 PolarHBondContact O-N 3.05Å; G195-V197 WeakPolarHBondContact O-CG2 3.32Å; V197-E213 CarbonylContact C-O 3.56Å; V197-E213 VanDerWaalsContact CA-O 3.29Å; V197-E213 WeakPolarHBondContact CA-O 3.45Å; V197-E213 WeakPolarHBondContact CG1-O 3.29Å; V197-R214 HydrophobicContact CG2-CB 4.28Å; V197-R214 HydrophobicContact CG2-CG 4.25Å; V197-L230 HydrophobicContact CG1-CD1 3.83Å; V197-L230 HydrophobicContact CG2-CD1 4.22Å
198R98.3Very high94.4Very high9 Ų949 Ų493%0.03431%0.311CS..EExtended strand (participates in β ladder)trans-113.2151.7172.573-171.5-176.1-170.30.7110.6F171 H185 L186 L200 R212 E213F171-R198 HydrophobicContact CE1-CB 3.82Å; F171-R198 HydrophobicContact CE1-CG 3.82Å; F171-R198 HydrophobicContact CE2-CG 4.13Å; F171-R198 HydrophobicContact CZ-CB 4.07Å; F171-R198 VanDerWaalsContact CZ-CD 3.5Å; F171-R198 HydrophobicContact CZ-CG 3.54Å; F171-R198 WeakPolarHBondContact O-CD 3.3Å; F171-R198 PolarHBondContact O-NH1 2.86Å; H185-R198 CarbonylContact O-C 3.52Å; H185-R198 WeakPolarHBondContact O-CA 3.23Å; L186-R198 HydrophobicContact CD2-CB 4.25Å; R198-L200 HydrophobicContact CG-CD2 4.02Å; R198-L200 HydrophobicContact CG-CG 4.31Å; R198-R212 WeakPolarHBondContact O-CA 3.01Å; R198-E213 HydrophobicContact CG-CB 3.95Å; R198-E213 IonicContact CZ-OE2 3.51Å; R198-E213 PolarHBondContact N-O 3.41Å; R198-E213 IonicContact NE-OE2 2.84Å; R198-E213 PolarHBondContact NE-OE2 3.38Å; R198-E213 IonicContact NH2-OE2 3.38Å; R198-E213 PolarHBondContact NH2-OE2 3.35Å; R198-E213 PolarHBondContact O-N 3.42Å
199E98.1Very high94.1Very high41 Ų4151.1 Ų51.119%0.19232%0.318CS..EExtended strand (participates in β ladder)trans-117.6132.3165.7177.7172.2-110.600108.1H185 V187 S211 R212H185-E199 IonicContact CD2-OE2 2.61Å; H185-E199 VanDerWaalsContact CE1-CG 3.48Å; H185-E199 WeakPolarHBondContact CE1-CG 3.45Å; H185-E199 IonicContact CE1-OE2 3.08Å; H185-E199 PolarHBondContact CE1-OE2 3.23Å; H185-E199 PolarHBondContact N-O 2.82Å; H185-E199 PolarHBondContact ND1-O 2.97Å; H185-E199 VanDerWaalsContact NE2-CB 3.32Å; H185-E199 WeakPolarHBondContact NE2-CB 3.47Å; H185-E199 WeakPolarHBondContact NE2-CG 3.44Å; H185-E199 IonicContact NE2-OE2 3.58Å; H185-E199 PolarHBondContact NE2-OE2 2.83Å; H185-E199 PolarHBondContact O-N 3.15Å; V187-E199 HydrophobicContact CG1-CB 3.69Å; E199-S211 CarbonylContact C-O 3.6Å; E199-S211 WeakPolarHBondContact CA-O 3.41Å; E199-R212 HydrophobicContact CB-CG 4.11Å; E199-R212 HydrophobicContact CG-CG 4.06Å; E199-R212 IonicContact OE1-CZ 3.23Å; E199-R212 VanDerWaalsContact OE1-CZ 3.23Å; E199-R212 IonicContact OE1-NE 2.72Å; E199-R212 PolarHBondContact OE1-NE 3.24Å; E199-R212 IonicContact OE1-NH2 2.85Å; E199-R212 PolarHBondContact OE1-NH2 2.99Å; E199-R212 IonicContact OE2-NH2 3.78Å
200L97.8Very high94Very high2 Ų250.3 Ų50.31%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-110.1138.1-175.6-55.6-179.4000108.2P174 I181 S183 C184 R198 S210 S211 E213P174-L200 HydrophobicContact CG-CD2 3.79Å; I181-L200 HydrophobicContact CD1-CD1 3.68Å; I181-L200 HydrophobicContact CD1-CD2 4.19Å; I181-L200 HydrophobicContact CD1-CG 4.47Å; I181-L200 HydrophobicContact CG1-CD1 4.2Å; I181-L200 HydrophobicContact CG2-CB 4.37Å; I181-L200 HydrophobicContact CG2-CD2 4.09Å; S183-L200 WeakPolarHBondContact O-CA 3.33Å; C184-L200 HydrophobicContact CB-CD2 3.59Å; C184-L200 VanDerWaalsContact SG-CD2 3.52Å; R198-L200 HydrophobicContact CG-CD2 4.02Å; R198-L200 HydrophobicContact CG-CG 4.31Å; L200-S210 WeakPolarHBondContact O-CA 3.43Å; L200-S210 WeakPolarHBondContact O-CB 3.44Å; L200-S211 PolarHBondContact N-O 3.19Å; L200-S211 PolarHBondContact O-N 3.4Å; L200-S211 VanDerWaalsContact O-N 3.08Å; L200-E213 VanDerWaalsContact CD1-CD 3.5Å; L200-E213 HydrophobicContact CD1-CG 4.5Å; L200-E213 WeakPolarHBondContact CD1-OE1 3.48Å; L200-E213 WeakPolarHBondContact CD1-OE2 3.34Å
201L96.8Very high94Very high63 Ų6346.3 Ų46.333%0.3328%0.283SS..EExtended strand (participates in β ladder)trans-103.2129.7162.5-61.1-179.6000108.5R182 S183 E209R182-L201 WeakPolarHBondContact CB-O 3.45Å; R182-L201 PolarHBondContact N-O 2.76Å; S183-L201 PolarHBondContact N-O 2.72Å; S183-L201 PolarHBondContact O-N 2.85Å; L201-E209 WeakPolarHBondContact CA-O 3.35Å
202L95.2Very high94.1Very high31 Ų3152 Ų5216%0.16230%0.304CS..EExtended strand (participates in β ladder)trans-86.9160.6-178-57.7-174.8000111.1F180 I181 L206 A208 E209F180-L202 CarbonylContact O-C 3.6Å; F180-L202 VanDerWaalsContact O-CA 3.31Å; F180-L202 WeakPolarHBondContact O-CA 3.01Å; I181-L202 HydrophobicContact CG1-CD2 4.35Å; L202-L206 HydrophobicContact CB-CD1 4.03Å; L202-L206 HydrophobicContact CD1-CD1 4.46Å; L202-A208 HydrophobicContact CD1-CB 3.72Å; L202-E209 PolarHBondContact N-O 2.68Å
203V93.9Very high94.2Very high50 Ų5051.5 Ų51.530%0.30330%0.298SS..PPolyproline II helixtrans-66.7147.9173.5-62.20000110.5R179 F180 R182 L206R179-V203 WeakPolarHBondContact O-CG1 3.15Å; F180-V203 HydrophobicContact CD1-CG2 4.43Å; F180-V203 PolarHBondContact O-N 3.34Å; R182-V203 HydrophobicContact CB-CG1 4.24Å; V203-L206 HydrophobicContact CG2-CD1 3.56Å; V203-L206 HydrophobicContact CG2-CG 3.92Å
204S89.3Confident94.3Very high123 Ų12350.8 Ų50.886%0.8629%0.289SS*.THydrogen-bonded Turntrans-62.6153.6178.252.60000112.1L206S204-L206 VanDerWaalsContact C-N 3.25Å; S204-L206 PolarHBondContact O-N 2.97Å
205G85.1Confident94.3Very high72 Ų7246.8 Ų46.874%0.74227%0.265SS*.THydrogen-bonded Turntrans83.8-4.4-177.500000114.3
206L84Confident94.3Very high39 Ų3948.9 Ų48.920%0.20427%0.271CS..SBendtrans-79.6157.1163-64.9177.8000110.5I78 F180 L202 V203 S204 A208I78-L206 HydrophobicContact CD1-CD2 3.97Å; I78-L206 HydrophobicContact CG2-CD2 3.98Å; F180-L206 HydrophobicContact CB-CD1 3.95Å; F180-L206 HydrophobicContact CD1-CD1 3.94Å; F180-L206 HydrophobicContact CD1-CD2 4.14Å; F180-L206 HydrophobicContact CE1-CD2 4.44Å; F180-L206 HydrophobicContact CG-CD1 4.32Å; L202-L206 HydrophobicContact CB-CD1 4.03Å; L202-L206 HydrophobicContact CD1-CD1 4.46Å; V203-L206 HydrophobicContact CG2-CD1 3.56Å; V203-L206 HydrophobicContact CG2-CG 3.92Å; S204-L206 VanDerWaalsContact C-N 3.25Å; S204-L206 PolarHBondContact O-N 2.97Å; L206-A208 PolarHBondContact O-N 3.43Å
207P79.4Confident94.2Very high82 Ų8251.4 Ų51.453%0.53228%0.284SS..SBendtrans-74-9.9179-6.123.9000112.7I78I78-P207 HydrophobicContact CG2-CG 3.5Å; I78-P207 VanDerWaalsContact CG2-CG 3.5Å; I78-P207 WeakPolarHBondContact O-CG 3.36Å
208A88.4Confident94.2Very high7 Ų753.3 Ų53.36%0.05829%0.29CS..  trans-124.9144.1-178.500000108.6L202 L206 D233 H234L202-A208 HydrophobicContact CD1-CB 3.72Å; L206-A208 PolarHBondContact O-N 3.43Å; A208-D233 WeakPolarHBondContact CB-O 3.34Å; A208-H234 HydrophobicContact CB-CB 3.69Å
209E93Very high94.1Very high150 Ų15055.1 Ų55.170%0.70130%0.3SS*.SBendtrans-100.2-28.1-179.9-58.9-176.7170.300111.1L201 L202 D233L201-E209 WeakPolarHBondContact CA-O 3.35Å; L202-E209 PolarHBondContact N-O 2.68Å; E209-D233 VanDerWaalsContact CB-OD2 3.25Å; E209-D233 WeakPolarHBondContact CB-OD2 2.95Å; E209-D233 WeakPolarHBondContact CG-OD2 3.33Å; E209-D233 PolarHBondContact N-OD1 2.86Å; E209-D233 PolarHBondContact N-OD2 2.71Å
210S95Very high94Very high32 Ų3256.1 Ų56.122%0.22431%0.307CS..EExtended strand (participates in β ladder)trans-151.2156.4-171.567.80000115.7L200 G232 D233L200-S210 WeakPolarHBondContact O-CA 3.43Å; L200-S210 WeakPolarHBondContact O-CB 3.44Å; S210-G232 WeakPolarHBondContact O-CA 3.41Å; S210-D233 PolarHBondContact N-OD1 2.61Å; S210-D233 PolarHBondContact O-N 3.24Å; S210-D233 PolarHBondContact OG-OD1 2.79Å
211S96.9Very high93.9Very high3 Ų364.4 Ų64.42%0.02135%0.345CS..EExtended strand (participates in β ladder)trans-141.5133.4172.6176.90000109.7E199 L200 E213 H234E199-S211 CarbonylContact C-O 3.6Å; E199-S211 WeakPolarHBondContact CA-O 3.41Å; L200-S211 PolarHBondContact N-O 3.19Å; L200-S211 PolarHBondContact O-N 3.4Å; L200-S211 VanDerWaalsContact O-N 3.08Å; S211-E213 WeakPolarHBondContact OG-CG 3.48Å; S211-E213 PolarHBondContact OG-OE1 3.26Å; S211-H234 WeakPolarHBondContact CB-NE2 3.4Å; S211-H234 PolarHBondContact OG-NE2 3.36Å; S211-H234 VanDerWaalsContact OG-NE2 3.14Å
212R97.7Very high93.8Very high122 Ų12268.7 Ų68.746%0.4636%0.357SS..EExtended strand (participates in β ladder)trans-104.2128.5169.2-75.5-171.1179.3-161.8-5.4109.7R198 E199 L230 G231R198-R212 WeakPolarHBondContact O-CA 3.01Å; E199-R212 HydrophobicContact CB-CG 4.11Å; E199-R212 HydrophobicContact CG-CG 4.06Å; E199-R212 IonicContact OE1-CZ 3.23Å; E199-R212 VanDerWaalsContact OE1-CZ 3.23Å; E199-R212 IonicContact OE1-NE 2.72Å; E199-R212 PolarHBondContact OE1-NE 3.24Å; E199-R212 IonicContact OE1-NH2 2.85Å; E199-R212 PolarHBondContact OE1-NH2 2.99Å; E199-R212 IonicContact OE2-NH2 3.78Å; R212-L230 HydrophobicContact CB-CB 4.33Å; R212-L230 PolarHBondContact O-N 2.92Å; R212-G231 PolarHBondContact N-O 3.03Å; R212-G231 PolarHBondContact O-N 3.47Å
213E98.4Very high93.9Very high16 Ų1670 Ų708%0.07536%0.36CS..EExtended strand (participates in β ladder)trans-136.6145.8-171.6-64.6173.2-177.800111.2F171 V197 R198 L200 S211 F227 R228 V229F171-E213 HydrophobicContact CZ-CB 4.45Å; V197-E213 CarbonylContact C-O 3.56Å; V197-E213 VanDerWaalsContact CA-O 3.29Å; V197-E213 WeakPolarHBondContact CA-O 3.45Å; V197-E213 WeakPolarHBondContact CG1-O 3.29Å; R198-E213 HydrophobicContact CG-CB 3.95Å; R198-E213 IonicContact CZ-OE2 3.51Å; R198-E213 PolarHBondContact N-O 3.41Å; R198-E213 IonicContact NE-OE2 2.84Å; R198-E213 PolarHBondContact NE-OE2 3.38Å; R198-E213 IonicContact NH2-OE2 3.38Å; R198-E213 PolarHBondContact NH2-OE2 3.35Å; R198-E213 PolarHBondContact O-N 3.42Å; L200-E213 VanDerWaalsContact CD1-CD 3.5Å; L200-E213 HydrophobicContact CD1-CG 4.5Å; L200-E213 WeakPolarHBondContact CD1-OE1 3.48Å; L200-E213 WeakPolarHBondContact CD1-OE2 3.34Å; S211-E213 WeakPolarHBondContact OG-CG 3.48Å; S211-E213 PolarHBondContact OG-OE1 3.26Å; E213-F227 HydrophobicContact CB-CD2 4.04Å; E213-F227 VanDerWaalsContact CD-CE2 3.45Å; E213-F227 HydrophobicContact CG-CD2 3.99Å; E213-F227 HydrophobicContact CG-CE2 4.17Å; E213-F227 WeakPolarHBondContact OE2-CD2 3.37Å; E213-F227 WeakPolarHBondContact OE2-CE2 3.29Å; E213-R228 CarbonylContact C-O 3.55Å; E213-R228 WeakPolarHBondContact CA-O 3.41Å; E213-V229 HydrophobicContact CG-CG2 4.02Å
214R98.6Very high94.1Very high109 Ų10967.6 Ų67.641%0.41135%0.346SS..EExtended strand (participates in β ladder)trans-116.8136.3178.7179.4175.6176.5144.76.2110.6S196 V197 E216 F227 R228 L230S196-R214 WeakPolarHBondContact O-CA 3.47Å; V197-R214 HydrophobicContact CG2-CB 4.28Å; V197-R214 HydrophobicContact CG2-CG 4.25Å; R214-E216 WeakPolarHBondContact CD-OE1 3.44Å; R214-E216 IonicContact NE-OE1 3.66Å; R214-E216 PolarHBondContact O-N 3.31Å; R214-F227 CarbonylContact O-C 3.51Å; R214-F227 WeakPolarHBondContact O-CA 3.21Å; R214-F227 VanDerWaalsContact O-CB 3.31Å; R214-F227 WeakPolarHBondContact O-CB 3.26Å; R214-R228 HydrophobicContact CB-CG 4.17Å; R214-R228 PolarHBondContact N-O 2.84Å; R214-R228 PolarHBondContact O-N 2.77Å; R214-L230 HydrophobicContact CB-CD1 4.01Å; R214-L230 HydrophobicContact CB-CD2 3.93Å; R214-L230 HydrophobicContact CB-CG 3.98Å
215L98.7Very high94.5Very high0 Ų062.3 Ų62.30%031%0.307CS..EExtended strand (participates in β ladder)trans-72.4119.7171.1-176.262.6000109.4F171 G195 S196 I217 R218 I225 S226F171-L215 HydrophobicContact CB-CD1 4.22Å; F171-L215 HydrophobicContact CB-CD2 4.31Å; F171-L215 HydrophobicContact CD1-CB 3.97Å; F171-L215 HydrophobicContact CD1-CD2 4.45Å; F171-L215 HydrophobicContact CD2-CB 4.11Å; F171-L215 HydrophobicContact CD2-CD1 3.9Å; F171-L215 HydrophobicContact CE1-CB 3.91Å; F171-L215 HydrophobicContact CE2-CB 4.08Å; F171-L215 HydrophobicContact CE2-CD1 4.49Å; F171-L215 HydrophobicContact CG-CB 4.06Å; F171-L215 HydrophobicContact CG-CD1 4.04Å; F171-L215 HydrophobicContact CG-CD2 4.32Å; F171-L215 HydrophobicContact CG-CG 4.38Å; F171-L215 HydrophobicContact CZ-CB 3.96Å; G195-L215 PolarHBondContact N-O 3.1Å; S196-L215 PolarHBondContact O-N 3.32Å; L215-I217 WeakPolarHBondContact CD1-O 3.5Å; L215-R218 HydrophobicContact CD1-CB 4.41Å; L215-R218 HydrophobicContact CD2-CB 4.2Å; L215-I225 HydrophobicContact CD1-CD1 3.97Å; L215-I225 HydrophobicContact CD1-CG1 3.72Å; L215-S226 WeakPolarHBondContact CD1-O 3.31Å
216E98.2Very high95.1Very high57 Ų5758.9 Ų58.927%0.26627%0.272SS..EExtended strand (participates in β ladder)trans-104-35.5-175.9-68.7-66.3140.200112.3V194 R214 S226 R228V194-E216 WeakPolarHBondContact CG1-O 3.32Å; R214-E216 WeakPolarHBondContact CD-OE1 3.44Å; R214-E216 IonicContact NE-OE1 3.66Å; R214-E216 PolarHBondContact O-N 3.31Å; E216-S226 PolarHBondContact N-O 2.88Å; E216-R228 HydrophobicContact CG-CB 4.02Å; E216-R228 HydrophobicContact CG-CG 3.82Å; E216-R228 WeakPolarHBondContact OE1-CD 3.29Å; E216-R228 VanDerWaalsContact OE1-CG 3.29Å; E216-R228 WeakPolarHBondContact OE1-CG 3.15Å
217I97.4Very high95.8Very high57 Ų5757.8 Ų57.829%0.29227%0.266SS..EExtended strand (participates in β ladder)trans-140.8137.1178.3-55.9173.6000107.7L215 V224 I225 S226L215-I217 WeakPolarHBondContact CD1-O 3.5Å; I217-V224 HydrophobicContact CG2-CG1 4.05Å; I217-I225 CarbonylContact O-C 3.56Å; I217-I225 WeakPolarHBondContact O-CA 3.19Å; I217-S226 PolarHBondContact N-O 2.99Å; I217-S226 PolarHBondContact O-N 2.87Å
218R97.5Very high96.7Very high55 Ų5558 Ų5821%0.20826%0.256CS..EExtended strand (participates in β ladder)trans-143.7115.3163.9-170.3-171.6-171.1-150.312.2108.4R169 A192 V194 L215 D220 V224R169-R218 VanDerWaalsContact CZ-NH2 3.3Å; A192-R218 VanDerWaalsContact C-NH1 3.28Å; A192-R218 WeakPolarHBondContact O-CD 3.34Å; A192-R218 PolarHBondContact O-NH1 3.3Å; V194-R218 HydrophobicContact CG2-CB 4.31Å; L215-R218 HydrophobicContact CD1-CB 4.41Å; L215-R218 HydrophobicContact CD2-CB 4.2Å; R218-D220 IonicContact CZ-OD2 2.74Å; R218-D220 IonicContact NE-OD2 3.34Å; R218-V224 WeakPolarHBondContact CA-O 3.44Å
219D96.7Very high97.1Very high47 Ų4758 Ų5825%0.25126%0.255SS..EExtended strand (participates in β ladder)trans-129.7103.1176.7-174.7-27000106.9E221 R222 R223 V224D219-E221 VanDerWaalsContact C-N 3.34Å; D219-E221 PolarHBondContact OD1-N 2.98Å; D219-E221 VanDerWaalsContact OD1-N 3.09Å; D219-R222 HydrophobicContact CB-CB 4.4Å; D219-R222 PolarHBondContact OD1-N 2.84Å; D219-R222 VanDerWaalsContact OD2-CD 3.26Å; D219-R222 WeakPolarHBondContact OD2-CD 3.02Å; D219-R222 WeakPolarHBondContact OD2-CG 3.33Å; D219-R222 IonicContact OD2-NE 3.99Å; D219-R223 CarbonylContact O-C 3.53Å; D219-R223 WeakPolarHBondContact O-CA 3.1Å; D219-R223 PolarHBondContact O-N 2.94Å; D219-V224 HydrophobicContact CB-CB 4.2Å; D219-V224 PolarHBondContact N-O 3.45Å; D219-V224 PolarHBondContact O-N 2.82Å
220D97.1Very high97.3Very high62 Ų6255.3 Ų55.333%0.33225%0.245SC..THydrogen-bonded Turntrans-73.7-27-178.7-82.3-43.4000112.3W165 R169 R218W165-D220 WeakPolarHBondContact CZ2-OD1 3.44Å; W165-D220 PolarHBondContact NE1-OD1 2.91Å; R169-D220 IonicContact CZ-OD1 2.76Å; R169-D220 IonicContact CZ-OD2 3.67Å; R169-D220 IonicContact NE-OD1 3.85Å; R169-D220 PolarHBondContact NE-OD1 2.91Å; R169-D220 IonicContact NE-OD2 3.84Å; R169-D220 IonicContact NH2-OD1 3.5Å; R169-D220 PolarHBondContact NH2-OD1 2.8Å; R169-D220 IonicContact NH2-OD2 3.62Å; R169-D220 PolarHBondContact NH2-OD2 3.15Å; R218-D220 IonicContact CZ-OD2 2.74Å; R218-D220 IonicContact NE-OD2 3.34Å
221E95.5Very high97.3Very high175 Ų17555.3 Ų55.382%0.81825%0.25SC*.THydrogen-bonded Turntrans-73.4-46.6179.5-64179.3-179.200110.6D219 R223D219-E221 VanDerWaalsContact C-N 3.34Å; D219-E221 PolarHBondContact OD1-N 2.98Å; D219-E221 VanDerWaalsContact OD1-N 3.09Å; E221-R223 VanDerWaalsContact C-N 3.34Å
222R94.5Very high97Very high154 Ų15457 Ų5758%0.58127%0.268SS*.THydrogen-bonded Turntrans-88.7-2.7177.5-56.6-174.6-176.4-159.9-1.5113.6D219 V224D219-R222 HydrophobicContact CB-CB 4.4Å; D219-R222 PolarHBondContact OD1-N 2.84Å; D219-R222 VanDerWaalsContact OD2-CD 3.26Å; D219-R222 WeakPolarHBondContact OD2-CD 3.02Å; D219-R222 WeakPolarHBondContact OD2-CG 3.33Å; D219-R222 IonicContact OD2-NE 3.99Å; R222-V224 HydrophobicContact CB-CG2 3.92Å; R222-V224 WeakPolarHBondContact O-CG2 3.36Å; R222-V224 PolarHBondContact O-N 2.85Å
223R97.3Very high96.6Very high57 Ų5754.5 Ų54.522%0.21526%0.264CS..THydrogen-bonded Turntrans52.851.7-179.3-55.8178.3-174.187-8.4112.5V161 D162 W165 D219 E221 T244 V245V161-R223 VanDerWaalsContact CG2-CD 3.49Å; D162-R223 IonicContact OD1-CZ 3.24Å; D162-R223 IonicContact OD1-NE 3.39Å; D162-R223 IonicContact OD1-NH2 3.65Å; D162-R223 PolarHBondContact OD1-NH2 2.78Å; W165-R223 HydrophobicContact CB-CG 4.43Å; W165-R223 HydrophobicContact CD2-CB 3.71Å; W165-R223 HydrophobicContact CD2-CG 3.91Å; W165-R223 HydrophobicContact CE3-CB 3.78Å; W165-R223 HydrophobicContact CE3-CG 4.47Å; W165-R223 HydrophobicContact CG-CB 4.16Å; W165-R223 HydrophobicContact CG-CG 3.86Å; W165-R223 HydrophobicContact CH2-CB 4.43Å; W165-R223 HydrophobicContact CZ2-CB 4.37Å; W165-R223 VanDerWaalsContact CZ3-C 3.43Å; W165-R223 HydrophobicContact CZ3-CB 4.14Å; W165-R223 WeakPolarHBondContact CZ3-O 3.33Å; D219-R223 CarbonylContact O-C 3.53Å; D219-R223 WeakPolarHBondContact O-CA 3.1Å; D219-R223 PolarHBondContact O-N 2.94Å; E221-R223 VanDerWaalsContact C-N 3.34Å; R223-T244 WeakPolarHBondContact O-CA 3.43Å; R223-V245 HydrophobicContact CB-CB 4.12Å; R223-V245 WeakPolarHBondContact CB-O 3.4Å; R223-V245 PolarHBondContact O-N 3.25Å; R223-V245 VanDerWaalsContact O-N 3.08Å
224V97.1Very high96.3Very high1 Ų155.6 Ų55.61%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-114.9128.6178.8-176.50000109.6I217 R218 D219 R222 V242 T244I217-V224 HydrophobicContact CG2-CG1 4.05Å; R218-V224 WeakPolarHBondContact CA-O 3.44Å; D219-V224 HydrophobicContact CB-CB 4.2Å; D219-V224 PolarHBondContact N-O 3.45Å; D219-V224 PolarHBondContact O-N 2.82Å; R222-V224 HydrophobicContact CB-CG2 3.92Å; R222-V224 WeakPolarHBondContact O-CG2 3.36Å; R222-V224 PolarHBondContact O-N 2.85Å; V224-V242 HydrophobicContact CG1-CG1 4.08Å; V224-T244 HydrophobicContact CB-CG2 4.32Å; V224-T244 HydrophobicContact CG1-CG2 4.01Å; V224-T244 HydrophobicContact CG2-CG2 3.85Å
225I98.1Very high95.7Very high11 Ų1153.9 Ų53.96%0.05626%0.262CS..EExtended strand (participates in β ladder)trans-130.1140171-169.3166.3000110W165 V168 F171 L215 I217 V242 T243W165-I225 HydrophobicContact CH2-CB 3.91Å; W165-I225 HydrophobicContact CH2-CG2 4.25Å; W165-I225 HydrophobicContact CZ3-CB 4.3Å; W165-I225 HydrophobicContact CZ3-CG2 4.12Å; V168-I225 HydrophobicContact CG1-CG2 3.67Å; F171-I225 HydrophobicContact CB-CD1 4.29Å; L215-I225 HydrophobicContact CD1-CD1 3.97Å; L215-I225 HydrophobicContact CD1-CG1 3.72Å; I217-I225 CarbonylContact O-C 3.56Å; I217-I225 WeakPolarHBondContact O-CA 3.19Å; I225-V242 WeakPolarHBondContact O-CA 3.47Å; I225-T243 PolarHBondContact N-O 3.15Å; I225-T243 PolarHBondContact O-N 3.27Å
226S98.1Very high95.5Very high0 Ų055.1 Ų55.10%027%0.269CS..EExtended strand (participates in β ladder)trans-137.2140.8174.8-178.40000110.1L215 E216 I217 S241L215-S226 WeakPolarHBondContact CD1-O 3.31Å; E216-S226 PolarHBondContact N-O 2.88Å; I217-S226 PolarHBondContact N-O 2.99Å; I217-S226 PolarHBondContact O-N 2.87Å; S226-S241 WeakPolarHBondContact CA-O 3.19Å; S226-S241 VanDerWaalsContact CB-O 3.28Å; S226-S241 WeakPolarHBondContact CB-O 3.4Å; S226-S241 PolarHBondContact OG-O 2.91Å
227F98.3Very high95.2Very high16 Ų1655 Ų557%0.0728%0.277CS..EExtended strand (participates in β ladder)trans-134.3158.1169.971.9-86.3000110.3F171 E213 R214 Y239 R240 S241F171-F227 HydrophobicContact CD2-CB 4.38Å; F171-F227 HydrophobicContact CE2-CB 3.72Å; F171-F227 HydrophobicContact CE2-CG 4.46Å; E213-F227 HydrophobicContact CB-CD2 4.04Å; E213-F227 VanDerWaalsContact CD-CE2 3.45Å; E213-F227 HydrophobicContact CG-CD2 3.99Å; E213-F227 HydrophobicContact CG-CE2 4.17Å; E213-F227 WeakPolarHBondContact OE2-CD2 3.37Å; E213-F227 WeakPolarHBondContact OE2-CE2 3.29Å; R214-F227 CarbonylContact O-C 3.51Å; R214-F227 WeakPolarHBondContact O-CA 3.21Å; R214-F227 VanDerWaalsContact O-CB 3.31Å; R214-F227 WeakPolarHBondContact O-CB 3.26Å; F227-Y239 HydrophobicContact CE2-CD1 4.11Å; F227-Y239 AromaticContact CE2-CE1 3.75Å; F227-Y239 HydrophobicContact CE2-CE1 3.75Å; F227-Y239 AromaticContact CZ-CE1 3.71Å; F227-Y239 HydrophobicContact CZ-CE1 3.71Å; F227-R240 WeakPolarHBondContact O-CA 3.29Å; F227-S241 PolarHBondContact N-O 2.94Å; F227-S241 VanDerWaalsContact N-O 3.12Å; F227-S241 PolarHBondContact O-N 3.26Å
228R97.9Very high95Very high88 Ų8856 Ų5633%0.33228%0.283SS..EExtended strand (participates in β ladder)trans-122.3151.5168.672.3-179.2-63.5161.92110.9E213 R214 E216 L230 Y239 R240E213-R228 CarbonylContact C-O 3.55Å; E213-R228 WeakPolarHBondContact CA-O 3.41Å; R214-R228 HydrophobicContact CB-CG 4.17Å; R214-R228 PolarHBondContact N-O 2.84Å; R214-R228 PolarHBondContact O-N 2.77Å; E216-R228 HydrophobicContact CG-CB 4.02Å; E216-R228 HydrophobicContact CG-CG 3.82Å; E216-R228 WeakPolarHBondContact OE1-CD 3.29Å; E216-R228 VanDerWaalsContact OE1-CG 3.29Å; E216-R228 WeakPolarHBondContact OE1-CG 3.15Å; R228-L230 HydrophobicContact CG-CD2 4.11Å; R228-Y239 CarbonylContact C-O 3.59Å; R228-Y239 VanDerWaalsContact CA-O 3.23Å; R228-Y239 WeakPolarHBondContact CA-O 3.13Å; R228-R240 HydrophobicContact CB-CB 4.37Å
229V97.7Very high95Very high7 Ų754 Ų544%0.04228%0.276CS..EExtended strand (participates in β ladder)trans-79129.4168.31710000108.6E213 H234 Y239E213-V229 HydrophobicContact CG-CG2 4.02Å; V229-H234 VanDerWaalsContact CG1-CE1 3.47Å; V229-H234 WeakPolarHBondContact CG1-CE1 3.34Å; V229-Y239 HydrophobicContact CG2-CD1 3.83Å; V229-Y239 HydrophobicContact CG2-CG 4.18Å; V229-Y239 PolarHBondContact N-O 3.35Å
230L96.9Very high95Very high93 Ų9355.6 Ų55.649%0.48728%0.278SS..EExtended strand (participates in β ladder)trans-93.3-30.2172.5-60.3-174.1000111.9V197 R212 R214 R228V197-L230 HydrophobicContact CG1-CD1 3.83Å; V197-L230 HydrophobicContact CG2-CD1 4.22Å; R212-L230 HydrophobicContact CB-CB 4.33Å; R212-L230 PolarHBondContact O-N 2.92Å; R214-L230 HydrophobicContact CB-CD1 4.01Å; R214-L230 HydrophobicContact CB-CD2 3.93Å; R214-L230 HydrophobicContact CB-CG 3.98Å; R228-L230 HydrophobicContact CG-CD2 4.11Å
231G94.5Very high95Very high31 Ų3152.6 Ų52.632%0.3226%0.263SS..EExtended strand (participates in β ladder)trans172.8-176.5-177.900000111.2R212R212-G231 PolarHBondContact N-O 3.03Å; R212-G231 PolarHBondContact O-N 3.47Å
232G91.4Very high95.1Very high40 Ų4044.4 Ų44.441%0.41222%0.224SC..EExtended strand (participates in β ladder)trans144.8169.2-173.500000109.6S210 H234S210-G232 WeakPolarHBondContact O-CA 3.41Å; G232-H234 PolarHBondContact O-N 2.83Å; G232-H234 VanDerWaalsContact O-N 3.16Å
233D89.6Confident95.2Very high68 Ų6837.3 Ų37.336%0.36420%0.198SC..SBendtrans-88.841178.163.5-27.6000111.7A208 E209 S210A208-D233 WeakPolarHBondContact CB-O 3.34Å; E209-D233 VanDerWaalsContact CB-OD2 3.25Å; E209-D233 WeakPolarHBondContact CB-OD2 2.95Å; E209-D233 WeakPolarHBondContact CG-OD2 3.33Å; E209-D233 PolarHBondContact N-OD1 2.86Å; E209-D233 PolarHBondContact N-OD2 2.71Å; S210-D233 PolarHBondContact N-OD1 2.61Å; S210-D233 PolarHBondContact O-N 3.24Å; S210-D233 PolarHBondContact OG-OD1 2.79Å
234H90.4Very high95.2Very high40 Ų4034.6 Ų34.619%0.18519%0.188CC..SBendtrans-132.5165.2174.153.841.6000110.9A208 S211 V229 G232 L236A208-H234 HydrophobicContact CB-CB 3.69Å; S211-H234 WeakPolarHBondContact CB-NE2 3.4Å; S211-H234 PolarHBondContact OG-NE2 3.36Å; S211-H234 VanDerWaalsContact OG-NE2 3.14Å; V229-H234 VanDerWaalsContact CG1-CE1 3.47Å; V229-H234 WeakPolarHBondContact CG1-CE1 3.34Å; G232-H234 PolarHBondContact O-N 2.83Å; G232-H234 VanDerWaalsContact O-N 3.16Å; H234-L236 VanDerWaalsContact C-N 3.29Å; H234-L236 PolarHBondContact O-N 3.15Å
235R87.4Confident95.2Very high72 Ų7234.6 Ų34.627%0.27219%0.188SC..SBendtrans-90.519.6-174.7-56.2176.371-157.3-0.4114.1A237 P269 P270 N272R235-A237 PolarHBondContact O-N 3.28Å; R235-P269 HydrophobicContact CB-CB 4.05Å; R235-P269 HydrophobicContact CB-CG 3.78Å; R235-P269 WeakPolarHBondContact O-CG 3.49Å; R235-P270 PolarHBondContact NH2-O 3.1Å; R235-N272 PolarHBondContact NH1-OD1 2.9Å; R235-N272 PolarHBondContact NH2-OD1 3.21Å
236L93.3Very high95.1Very high27 Ų2735.8 Ų35.814%0.14119%0.193CC..  trans-83.448.9-179.4-62.5177.1000112.5H234 N238 Y239 V266 F280 V281H234-L236 VanDerWaalsContact C-N 3.29Å; H234-L236 PolarHBondContact O-N 3.15Å; L236-N238 PolarHBondContact O-N 3.47Å; L236-Y239 HydrophobicContact CD2-CD2 4.43Å; L236-Y239 VanDerWaalsContact O-CB 3.29Å; L236-Y239 WeakPolarHBondContact O-CB 3.31Å; L236-Y239 PolarHBondContact O-N 3Å; L236-V266 HydrophobicContact CD2-CG2 4.23Å; L236-F280 HydrophobicContact CD2-CD1 4.39Å; L236-F280 HydrophobicContact CD2-CE1 4.01Å; L236-V281 HydrophobicContact CD2-CG2 3.8Å
237A92.7Very high94.9Very high53 Ų5342.4 Ų42.444%0.43822%0.224SC..THydrogen-bonded Turntrans-61.3136.3-179.700000111.3R235 Y239 D267R235-A237 PolarHBondContact O-N 3.28Å; A237-Y239 PolarHBondContact O-N 3.01Å; A237-D267 HydrophobicContact CB-CB 4.24Å; A237-D267 WeakPolarHBondContact O-CB 3.44Å; A237-D267 PolarHBondContact O-N 2.88Å; A237-D267 VanDerWaalsContact O-N 3.13Å
238N93.4Very high94.5Very high79 Ų7943.2 Ų43.242%0.42223%0.234SC..THydrogen-bonded Turntrans51.522.9-176.8-64.4-55.9000114.6L236 R240 D267L236-N238 PolarHBondContact O-N 3.47Å; N238-R240 PolarHBondContact O-N 3.36Å; N238-D267 PolarHBondContact ND2-OD2 3.34Å
239Y97.1Very high94Very high13 Ų1343 Ų435%0.05125%0.25CS..  trans-59.6127.9173.7178.3-84.3000109.8F227 R228 V229 L236 A237 Y264 V265 V266 V281F227-Y239 HydrophobicContact CE2-CD1 4.11Å; F227-Y239 AromaticContact CE2-CE1 3.75Å; F227-Y239 HydrophobicContact CE2-CE1 3.75Å; F227-Y239 AromaticContact CZ-CE1 3.71Å; F227-Y239 HydrophobicContact CZ-CE1 3.71Å; R228-Y239 CarbonylContact C-O 3.59Å; R228-Y239 VanDerWaalsContact CA-O 3.23Å; R228-Y239 WeakPolarHBondContact CA-O 3.13Å; V229-Y239 HydrophobicContact CG2-CD1 3.83Å; V229-Y239 HydrophobicContact CG2-CG 4.18Å; V229-Y239 PolarHBondContact N-O 3.35Å; L236-Y239 HydrophobicContact CD2-CD2 4.43Å; L236-Y239 VanDerWaalsContact O-CB 3.29Å; L236-Y239 WeakPolarHBondContact O-CB 3.31Å; L236-Y239 PolarHBondContact O-N 3Å; A237-Y239 PolarHBondContact O-N 3.01Å; Y239-Y264 HydrophobicContact CE2-CD2 4.17Å; Y239-Y264 AromaticContact CE2-CG 3.93Å; Y239-Y264 HydrophobicContact CE2-CG 3.93Å; Y239-V265 CarbonylContact C-O 3.59Å; Y239-V265 WeakPolarHBondContact CA-O 3.35Å; Y239-V266 HydrophobicContact CD2-CB 4.03Å; Y239-V266 HydrophobicContact CD2-CG2 4.07Å; Y239-V281 HydrophobicContact CD2-CG1 4.41Å; Y239-V281 HydrophobicContact CE2-CG1 3.68Å
240R97.1Very high93.2Very high80 Ų8046.8 Ų46.830%0.30228%0.275SS..EExtended strand (participates in β ladder)trans-132.4127171.9177.7178.8176.4-106.20.8108.5F227 R228 N238 Y264 V265F227-R240 WeakPolarHBondContact O-CA 3.29Å; R228-R240 HydrophobicContact CB-CB 4.37Å; N238-R240 PolarHBondContact O-N 3.36Å; R240-Y264 CarbonylContact O-C 3.54Å; R240-Y264 WeakPolarHBondContact O-CA 3.28Å; R240-V265 HydrophobicContact CB-CG1 3.98Å; R240-V265 PolarHBondContact N-O 2.8Å; R240-V265 PolarHBondContact O-N 3.2Å
241S97Very high92.4Very high0 Ų044.2 Ų44.20%027%0.265CS..EExtended strand (participates in β ladder)trans-110.3147.4174.1-1800000110.8S226 F227 E262 S263S226-S241 WeakPolarHBondContact CA-O 3.19Å; S226-S241 VanDerWaalsContact CB-O 3.28Å; S226-S241 WeakPolarHBondContact CB-O 3.4Å; S226-S241 PolarHBondContact OG-O 2.91Å; F227-S241 PolarHBondContact N-O 2.94Å; F227-S241 VanDerWaalsContact N-O 3.12Å; F227-S241 PolarHBondContact O-N 3.26Å; S241-E262 WeakPolarHBondContact OG-CG 3.24Å; S241-E262 PolarHBondContact OG-OE1 2.79Å; S241-S263 CarbonylContact C-O 3.49Å; S241-S263 VanDerWaalsContact CA-O 3.29Å; S241-S263 WeakPolarHBondContact CA-O 3.47Å; S241-S263 PolarHBondContact OG-O 3.12Å
242V97.2Very high91.7Very high2 Ų252.6 Ų52.61%0.01230%0.296CS..EExtended strand (participates in β ladder)trans-129.3123.5167.7-177.60000107.2H139 H140 V224 I225 T244 E262 S263H139-V242 HydrophobicContact CB-CG1 4.4Å; H140-V242 PolarHBondContact CE1-O 3.24Å; V224-V242 HydrophobicContact CG1-CG1 4.08Å; I225-V242 WeakPolarHBondContact O-CA 3.47Å; V242-T244 HydrophobicContact CG1-CG2 4.26Å; V242-E262 WeakPolarHBondContact O-CA 3.41Å; V242-S263 PolarHBondContact N-O 2.79Å; V242-S263 PolarHBondContact O-N 2.63Å; V242-S263 PolarHBondContact O-OG 2.9Å
243T97.5Very high91.4Very high5 Ų556.9 Ų56.93%0.03131%0.309CS..EExtended strand (participates in β ladder)trans-113.4131.8173.3-53.30000109.2V168 I225 V260 V261V168-T243 HydrophobicContact CG1-CG2 3.8Å; I225-T243 PolarHBondContact N-O 3.15Å; I225-T243 PolarHBondContact O-N 3.27Å; T243-V260 HydrophobicContact CG2-CG1 3.77Å; T243-V261 CarbonylContact C-O 3.58Å; T243-V261 VanDerWaalsContact CA-O 3.24Å; T243-V261 WeakPolarHBondContact CA-O 3.36Å
244T97Very high91.3Very high0 Ų056.3 Ų56.30%032%0.32CS..EExtended strand (participates in β ladder)trans-125.3147.8172.867.60000110.2H139 H140 R223 V224 V242 H246 V260 V261H139-T244 HydrophobicContact CB-CG2 3.73Å; H140-T244 WeakPolarHBondContact NE2-CG2 3.36Å; H140-T244 PolarHBondContact NE2-OG1 3.1Å; R223-T244 WeakPolarHBondContact O-CA 3.43Å; V224-T244 HydrophobicContact CB-CG2 4.32Å; V224-T244 HydrophobicContact CG1-CG2 4.01Å; V224-T244 HydrophobicContact CG2-CG2 3.85Å; V242-T244 HydrophobicContact CG1-CG2 4.26Å; T244-H246 WeakPolarHBondContact CB-NE2 3.32Å; T244-H246 PolarHBondContact OG1-NE2 3.04Å; T244-V260 WeakPolarHBondContact O-CA 3.33Å; T244-V261 PolarHBondContact N-O 3.39Å; T244-V261 PolarHBondContact O-N 2.92Å
245V97.6Very high91.2Very high1 Ų162.1 Ų62.11%0.00634%0.34CS..EExtended strand (participates in β ladder)trans-130.2121-175.3-174.40000109.4V161 V164 W165 V168 R223 T258 V260V161-V245 HydrophobicContact CG2-CG1 3.76Å; V164-V245 HydrophobicContact CB-CG1 4.1Å; V164-V245 HydrophobicContact CG1-CG1 3.81Å; V164-V245 HydrophobicContact CG1-CG2 4.45Å; W165-V245 HydrophobicContact CE3-CB 4.14Å; W165-V245 HydrophobicContact CE3-CG2 3.74Å; W165-V245 HydrophobicContact CZ3-CG2 4.2Å; V168-V245 HydrophobicContact CB-CG2 4.29Å; V168-V245 HydrophobicContact CG1-CG2 4.09Å; V168-V245 HydrophobicContact CG2-CG2 4.2Å; R223-V245 HydrophobicContact CB-CB 4.12Å; R223-V245 WeakPolarHBondContact CB-O 3.4Å; R223-V245 PolarHBondContact O-N 3.25Å; R223-V245 VanDerWaalsContact O-N 3.08Å; V245-T258 HydrophobicContact CG1-CG2 3.36Å; V245-V260 HydrophobicContact CG1-CG2 4.35Å; V245-V260 HydrophobicContact CG2-CG1 4.38Å; V245-V260 HydrophobicContact CG2-CG2 4.37Å
246H95.1Very high91.5Very high37 Ų3761.8 Ų61.817%0.17135%0.347CS..EExtended strand (participates in β ladder)trans-127145.4-171.6-55.6-78.5000111.5V136 T244 A248 T258 M259V136-H246 WeakPolarHBondContact CG1-NE2 3.29Å; V136-H246 WeakPolarHBondContact CG2-CE1 3.35Å; V136-H246 WeakPolarHBondContact CG2-NE2 3.48Å; T244-H246 WeakPolarHBondContact CB-NE2 3.32Å; T244-H246 PolarHBondContact OG1-NE2 3.04Å; H246-A248 PolarHBondContact O-N 3.27Å; H246-T258 CarbonylContact O-C 3.55Å; H246-T258 WeakPolarHBondContact O-CA 3.49Å; H246-M259 HydrophobicContact CB-CE 4.01Å; H246-M259 PolarHBondContact N-O 3.21Å; H246-M259 PolarHBondContact O-N 3.38Å
247E94Very high91.6Very high139 Ų13962.6 Ų62.665%0.6535%0.352SS*.EExtended strand (participates in β ladder)trans-66.5127.3162.6-69.1176.9-163.200108.9V161V161-E247 HydrophobicContact CB-CG 3.63Å; V161-E247 HydrophobicContact CG1-CG 3.58Å; V161-E247 VanDerWaalsContact CG1-OE1 3.28Å; V161-E247 WeakPolarHBondContact CG1-OE1 3.36Å; V161-E247 HydrophobicContact CG2-CG 4.09Å
248A89.8Confident91.8Very high33 Ų3360.1 Ų60.127%0.27333%0.331SS..EExtended strand (participates in β ladder)trans-101.7163.6170.800000109.5H246 L257 M259H246-A248 PolarHBondContact O-N 3.27Å; A248-L257 HydrophobicContact CB-CB 4.15Å; A248-L257 HydrophobicContact CB-CD2 3.88Å; A248-L257 HydrophobicContact CB-CG 3.95Å; A248-L257 PolarHBondContact N-O 3.13Å; A248-M259 HydrophobicContact CB-CB 4.25Å
249A86.7Confident91.8Very high82 Ų8257.3 Ų57.368%0.67832%0.315SS*.PPolyproline II helixtrans-52.1132.1170.600000109.1L257A249-L257 WeakPolarHBondContact O-CD2 3.3Å
250P81.6Confident91.8Very high87 Ų8756.7 Ų56.757%0.56531%0.313SS*.PPolyproline II helixtrans-57.3152.2-177.421.7-31.1000110.4
251S79.2Confident91.8Very high40 Ų4052.9 Ų52.928%0.2830%0.299SS..PPolyproline II helixtrans-56.7162.9172.961.50000111.2D253 G254 R255S251-D253 PolarHBondContact O-N 3.03Å; S251-G254 PolarHBondContact O-N 3.05Å; S251-R255 PolarHBondContact N-O 3.17Å; S251-R255 WeakPolarHBondContact OG-CB 3.36Å; S251-R255 PolarHBondContact OG-N 3.4Å; S251-R255 VanDerWaalsContact OG-N 3.15Å; S251-R255 PolarHBondContact OG-O 3.21Å; S251-R255 VanDerWaalsContact OG-O 3.1Å
252Q81.4Confident91.7Very high206 Ų20653 Ų5396%0.96330%0.299SS*.THydrogen-bonded Turntrans-53.8-27.9177.1-68.4-175.8-15.500112.9G254Q252-G254 VanDerWaalsContact C-N 3.25Å; Q252-G254 PolarHBondContact O-N 2.87Å
253D84.6Confident91.6Very high130 Ų13052.9 Ų52.970%0.69530%0.298SS*.THydrogen-bonded Turntrans-83.46.4178.7-57.2-25000113.6S251 R255S251-D253 PolarHBondContact O-N 3.03Å; D253-R255 HydrophobicContact CB-CG 4.29Å; D253-R255 PolarHBondContact O-N 3.12Å
254G87.3Confident91.5Very high56 Ų5652.6 Ų52.658%0.57730%0.297SS*.SBendtrans73.73.5-176.900000114.5S251 Q252S251-G254 PolarHBondContact O-N 3.05Å; Q252-G254 VanDerWaalsContact C-N 3.25Å; Q252-G254 PolarHBondContact O-N 2.87Å
255R88.2Confident91.5Very high162 Ų16253.2 Ų53.261%0.61130%0.301SS*.  trans-71.8141.7177.6-58.5-179.7179.9-179.50.5110.5S251 D253S251-R255 PolarHBondContact N-O 3.17Å; S251-R255 WeakPolarHBondContact OG-CB 3.36Å; S251-R255 PolarHBondContact OG-N 3.4Å; S251-R255 VanDerWaalsContact OG-N 3.15Å; S251-R255 PolarHBondContact OG-O 3.21Å; S251-R255 VanDerWaalsContact OG-O 3.1Å; D253-R255 HydrophobicContact CB-CG 4.29Å; D253-R255 PolarHBondContact O-N 3.12Å
256P93.7Very high91.4Very high65 Ų6553.2 Ų53.242%0.42230%0.301SS..  trans-59.2140.2177.325.6-34000110.4A158 A159 P160A158-P256 CarbonylContact C-O 3.45Å; A159-P256 PolarHBondContact N-O 3.25Å; P160-P256 HydrophobicContact CB-CB 4.47Å; P160-P256 HydrophobicContact CB-CG 4.48Å; P160-P256 HydrophobicContact CG-CB 4.31Å; P160-P256 HydrophobicContact CG-CG 3.8Å
257L95Very high91.5Very high45 Ų4553.4 Ų53.424%0.23630%0.303CS..EExtended strand (participates in β ladder)trans-126.5130.5178.9-17168.9000108.6A248 A249A248-L257 HydrophobicContact CB-CB 4.15Å; A248-L257 HydrophobicContact CB-CD2 3.88Å; A248-L257 HydrophobicContact CB-CG 3.95Å; A248-L257 PolarHBondContact N-O 3.13Å; A249-L257 WeakPolarHBondContact O-CD2 3.3Å
258T96.3Very high91.6Very high0 Ų048.2 Ų48.20%028%0.281CS..EExtended strand (participates in β ladder)trans-113.7135.3176.3-64.10000109.5S156 I157 A159 P160 V161 V164 V245 H246 V260S156-T258 CarbonylContact C-O 3.54Å; S156-T258 WeakPolarHBondContact CA-O 3.13Å; I157-T258 PolarHBondContact N-O 3.23Å; I157-T258 PolarHBondContact O-N 3.43Å; A159-T258 PolarHBondContact O-N 3.21Å; A159-T258 PolarHBondContact O-OG1 3.18Å; P160-T258 VanDerWaalsContact C-OG1 3.32Å; V161-T258 WeakPolarHBondContact CA-OG1 3.47Å; V161-T258 HydrophobicContact CG2-CG2 4.22Å; V161-T258 PolarHBondContact N-OG1 2.92Å; V161-T258 VanDerWaalsContact N-OG1 3.14Å; V164-T258 HydrophobicContact CB-CG2 3.98Å; V164-T258 HydrophobicContact CG1-CG2 4.11Å; V164-T258 HydrophobicContact CG2-CG2 3.82Å; V245-T258 HydrophobicContact CG1-CG2 3.36Å; H246-T258 CarbonylContact O-C 3.55Å; H246-T258 WeakPolarHBondContact O-CA 3.49Å; T258-V260 HydrophobicContact CG2-CG2 4.23Å
259M95.1Very high91.8Very high20 Ų2047.1 Ų47.110%0.09927%0.271CS..EExtended strand (participates in β ladder)trans-103.9118.6171.1-179.1-177.363.100109.4P133 V136 V154 H246 A248 V261P133-M259 HydrophobicContact CG-CE 4.38Å; V136-M259 HydrophobicContact CG2-CE 4.29Å; V154-M259 HydrophobicContact CG1-CG 3.59Å; V154-M259 HydrophobicContact CG1-SD 3.92Å; H246-M259 HydrophobicContact CB-CE 4.01Å; H246-M259 PolarHBondContact N-O 3.21Å; H246-M259 PolarHBondContact O-N 3.38Å; A248-M259 HydrophobicContact CB-CB 4.25Å; M259-V261 HydrophobicContact CE-CG2 4.3Å; M259-V261 HydrophobicContact CG-CG2 4.15Å; M259-V261 HydrophobicContact SD-CG2 4.34Å
260V96.8Very high92.1Very high0 Ų049 Ų490%028%0.276CS..EExtended strand (participates in β ladder)trans-102.7128.9173.2-174.70000108.6V154 Q155 I157 V164 T243 T244 V245 T258 L289 L292V154-V260 CarbonylContact C-O 3.56Å; V154-V260 WeakPolarHBondContact CA-O 3.42Å; Q155-V260 PolarHBondContact N-O 2.83Å; Q155-V260 PolarHBondContact O-N 2.86Å; I157-V260 HydrophobicContact CD1-CG2 3.74Å; I157-V260 HydrophobicContact CG1-CG2 4.41Å; V164-V260 HydrophobicContact CG1-CG2 3.63Å; T243-V260 HydrophobicContact CG2-CG1 3.77Å; T244-V260 WeakPolarHBondContact O-CA 3.33Å; V245-V260 HydrophobicContact CG1-CG2 4.35Å; V245-V260 HydrophobicContact CG2-CG1 4.38Å; V245-V260 HydrophobicContact CG2-CG2 4.37Å; T258-V260 HydrophobicContact CG2-CG2 4.23Å; V260-L289 HydrophobicContact CB-CD2 4.29Å; V260-L289 HydrophobicContact CG1-CD2 3.64Å; V260-L292 HydrophobicContact CG1-CD2 4.33Å; V260-L292 HydrophobicContact CG2-CD2 4.18Å
261V95.7Very high92.7Very high1 Ų148.3 Ų48.31%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-118.9121.7174.3-171.30000108.5V132 V136 H140 A152 M153 V154 T243 T244 M259V132-V261 HydrophobicContact CG1-CG2 4.48Å; V132-V261 HydrophobicContact CG2-CG2 4.29Å; V136-V261 HydrophobicContact CG1-CB 4.44Å; V136-V261 HydrophobicContact CG1-CG2 4Å; H140-V261 PolarHBondContact CE1-O 2.77Å; H140-V261 WeakPolarHBondContact NE2-CB 3.39Å; H140-V261 WeakPolarHBondContact NE2-CG1 3.47Å; A152-V261 HydrophobicContact CB-CG1 4.46Å; M153-V261 CarbonylContact O-C 3.59Å; M153-V261 VanDerWaalsContact O-CA 3.29Å; M153-V261 WeakPolarHBondContact O-CA 3.48Å; V154-V261 HydrophobicContact CG1-CG2 4.32Å; V154-V261 HydrophobicContact CG2-CG1 4.29Å; V154-V261 HydrophobicContact CG2-CG2 4.14Å; T243-V261 CarbonylContact C-O 3.58Å; T243-V261 VanDerWaalsContact CA-O 3.24Å; T243-V261 WeakPolarHBondContact CA-O 3.36Å; T244-V261 PolarHBondContact N-O 3.39Å; T244-V261 PolarHBondContact O-N 2.92Å; M259-V261 HydrophobicContact CE-CG2 4.3Å; M259-V261 HydrophobicContact CG-CG2 4.15Å; M259-V261 HydrophobicContact SD-CG2 4.34Å
262E95.8Very high93.4Very high1 Ų148 Ų481%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-116.8122.8171.7-176.1165.9-177.500109.6A152 M153 K178 S241 V242 V285 L289A152-E262 CarbonylContact C-O 3.54Å; A152-E262 WeakPolarHBondContact CA-O 3.19Å; A152-E262 WeakPolarHBondContact CB-O 3.47Å; M153-E262 PolarHBondContact N-O 3.4Å; M153-E262 PolarHBondContact O-N 3.14Å; K178-E262 IonicContact NZ-OE1 3.78Å; K178-E262 IonicContact NZ-OE2 2.79Å; S241-E262 WeakPolarHBondContact OG-CG 3.24Å; S241-E262 PolarHBondContact OG-OE1 2.79Å; V242-E262 WeakPolarHBondContact O-CA 3.41Å; E262-V285 HydrophobicContact CB-CG1 3.94Å; E262-V285 HydrophobicContact CG-CG1 3.94Å; E262-L289 HydrophobicContact CB-CD1 4.46Å; E262-L289 HydrophobicContact CB-CD2 4.35Å
263S95.4Very high94.1Very high0 Ų041.4 Ų41.40%025%0.253CS..EExtended strand (participates in β ladder)trans-118.9151.7175.465.40000111H140 H142 A151 S241 V242H140-S263 WeakPolarHBondContact ND1-CB 3.42Å; H140-S263 PolarHBondContact ND1-OG 2.82Å; H142-S263 VanDerWaalsContact NE2-CB 3.31Å; H142-S263 WeakPolarHBondContact NE2-CB 3.38Å; H142-S263 PolarHBondContact NE2-OG 2.75Å; A151-S263 CarbonylContact O-C 3.52Å; A151-S263 VanDerWaalsContact O-CA 3.26Å; A151-S263 WeakPolarHBondContact O-CA 3.44Å; S241-S263 CarbonylContact C-O 3.49Å; S241-S263 VanDerWaalsContact CA-O 3.29Å; S241-S263 WeakPolarHBondContact CA-O 3.47Å; S241-S263 PolarHBondContact OG-O 3.12Å; V242-S263 PolarHBondContact N-O 2.79Å; V242-S263 PolarHBondContact O-N 2.63Å; V242-S263 PolarHBondContact O-OG 2.9Å
264Y95.6Very high94.6Very high0 Ų037.3 Ų37.30%023%0.233CC..EExtended strand (participates in β ladder)trans-138.6159.9174.767.6-91000112.8C150 A151 Y239 R240 V266 V281 D282 V285C150-Y264 WeakPolarHBondContact CA-O 3.32Å; C150-Y264 WeakPolarHBondContact CB-O 3.36Å; A151-Y264 HydrophobicContact CB-CE1 3.65Å; A151-Y264 PolarHBondContact N-O 3.22Å; A151-Y264 PolarHBondContact O-N 3.47Å; Y239-Y264 HydrophobicContact CE2-CD2 4.17Å; Y239-Y264 AromaticContact CE2-CG 3.93Å; Y239-Y264 HydrophobicContact CE2-CG 3.93Å; R240-Y264 CarbonylContact O-C 3.54Å; R240-Y264 WeakPolarHBondContact O-CA 3.28Å; Y264-V266 HydrophobicContact CD2-CB 4.35Å; Y264-V266 HydrophobicContact CD2-CG1 3.97Å; Y264-V266 HydrophobicContact CE2-CG1 3.87Å; Y264-V281 HydrophobicContact CD1-CG1 3.71Å; Y264-V281 HydrophobicContact CD2-CG1 3.7Å; Y264-V281 HydrophobicContact CE1-CB 4.18Å; Y264-V281 HydrophobicContact CE1-CG1 3.51Å; Y264-V281 HydrophobicContact CE2-CB 3.89Å; Y264-V281 HydrophobicContact CE2-CG1 3.52Å; Y264-V281 HydrophobicContact CE2-CG2 4.44Å; Y264-V281 HydrophobicContact CG-CG1 3.8Å; Y264-V281 VanDerWaalsContact CZ-CG1 3.42Å; Y264-D282 WeakPolarHBondContact CE1-OD1 3.38Å; Y264-D282 PolarHBondContact OH-OD1 2.8Å; Y264-V285 HydrophobicContact CD1-CG2 4.08Å; Y264-V285 HydrophobicContact CE1-CG2 4.4Å
265V96.5Very high94.9Very high13 Ų1340.1 Ų40.18%0.07923%0.231CC..EExtended strand (participates in β ladder)trans-126.7143159.360.60000108.6H142 Q148 C149 C150 Y239 R240H142-V265 HydrophobicContact CB-CB 4.23Å; Q148-V265 HydrophobicContact CB-CG2 4.26Å; C149-V265 CarbonylContact O-C 3.49Å; C149-V265 WeakPolarHBondContact O-CA 3.15Å; C150-V265 HydrophobicContact CB-CB 4.29Å; Y239-V265 CarbonylContact C-O 3.59Å; Y239-V265 WeakPolarHBondContact CA-O 3.35Å; R240-V265 HydrophobicContact CB-CG1 3.98Å; R240-V265 PolarHBondContact N-O 2.8Å; R240-V265 PolarHBondContact O-N 3.2Å
266V95.9Very high95.3Very high1 Ų136.3 Ų36.31%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-152.7149.4-177.267.30000110.9Q148 C149 L236 Y239 Y264 T277 V281Q148-V266 CarbonylContact C-O 3.52Å; Q148-V266 VanDerWaalsContact CA-O 3.29Å; Q148-V266 WeakPolarHBondContact CA-O 3.22Å; C149-V266 PolarHBondContact N-O 3.03Å; C149-V266 PolarHBondContact O-N 2.88Å; C149-V266 VanDerWaalsContact SG-CG1 3.56Å; L236-V266 HydrophobicContact CD2-CG2 4.23Å; Y239-V266 HydrophobicContact CD2-CB 4.03Å; Y239-V266 HydrophobicContact CD2-CG2 4.07Å; Y264-V266 HydrophobicContact CD2-CB 4.35Å; Y264-V266 HydrophobicContact CD2-CG1 3.97Å; Y264-V266 HydrophobicContact CE2-CG1 3.87Å; V266-T277 HydrophobicContact CG1-CG2 3.85Å; V266-V281 HydrophobicContact CG1-CG2 4.33Å
267D96.2Very high95.3Very high41 Ų4133.3 Ų33.322%0.21920%0.201CC..EExtended strand (participates in β ladder)trans-69.5140.4170.5-65.6-8.5000110.7Q148 A237 N238 P269Q148-D267 WeakPolarHBondContact CG-OD1 3.44Å; Q148-D267 PolarHBondContact NE2-OD1 2.82Å; A237-D267 HydrophobicContact CB-CB 4.24Å; A237-D267 WeakPolarHBondContact O-CB 3.44Å; A237-D267 PolarHBondContact O-N 2.88Å; A237-D267 VanDerWaalsContact O-N 3.13Å; N238-D267 PolarHBondContact ND2-OD2 3.34Å; D267-P269 VanDerWaalsContact O-CD 3.25Å; D267-P269 WeakPolarHBondContact O-CD 3.41Å
268V95.8Very high95.3Very high30 Ų3033.3 Ų33.318%0.18220%0.198CC..PPolyproline II helixtrans-78.5116171.2-179.40000107.9G147 C149 N272 V274G147-V268 WeakPolarHBondContact O-CB 3.17Å; G147-V268 WeakPolarHBondContact O-CG2 3.33Å; G147-V268 PolarHBondContact O-N 3.3Å; C149-V268 HydrophobicContact CB-CG2 4.17Å; V268-N272 HydrophobicContact CG1-CB 4.46Å; V268-N272 WeakPolarHBondContact CG1-O 3.47Å; V268-V274 HydrophobicContact CG2-CB 4.47Å; V268-V274 HydrophobicContact CG2-CG2 3.78Å
269P94.5Very high95.2Very high10 Ų1037.9 Ų37.97%0.06522%0.221CC..PPolyproline II helixtrans-66.7151.1-176.3-25.339.2000112.5M80 R235 D267 G271 N272 T277M80-P269 HydrophobicContact SD-CG 4.25Å; R235-P269 HydrophobicContact CB-CB 4.05Å; R235-P269 HydrophobicContact CB-CG 3.78Å; R235-P269 WeakPolarHBondContact O-CG 3.49Å; D267-P269 VanDerWaalsContact O-CD 3.25Å; D267-P269 WeakPolarHBondContact O-CD 3.41Å; P269-G271 PolarHBondContact O-N 3.17Å; P269-N272 WeakPolarHBondContact O-CB 3.45Å; P269-N272 PolarHBondContact O-N 3.38Å; P269-T277 VanDerWaalsContact CD-OG1 3.26Å; P269-T277 WeakPolarHBondContact CD-OG1 3.33Å
270P94Very high95.1Very high122 Ų12238.5 Ų38.579%0.79222%0.223SC*.THydrogen-bonded Turntrans-55128.5178.4-27.334.6000113.2R235 N272R235-P270 PolarHBondContact NH2-O 3.1Å; P270-N272 VanDerWaalsContact C-N 3.31Å
271G94Very high95Very high71 Ų7138.6 Ų38.673%0.73222%0.224SC*.THydrogen-bonded Turntrans82.73.3-178.300000115.2P269P269-G271 PolarHBondContact O-N 3.17Å
272N94.4Very high95Very high35 Ų3540 Ų4019%0.18723%0.231CC..  trans-106.7148.7167.3-75.877000110.8R235 V268 P269 P270 E276R235-N272 PolarHBondContact NH1-OD1 2.9Å; R235-N272 PolarHBondContact NH2-OD1 3.21Å; V268-N272 HydrophobicContact CG1-CB 4.46Å; V268-N272 WeakPolarHBondContact CG1-O 3.47Å; P269-N272 WeakPolarHBondContact O-CB 3.45Å; P269-N272 PolarHBondContact O-N 3.38Å; P270-N272 VanDerWaalsContact C-N 3.31Å; N272-E276 WeakPolarHBondContact CA-OE2 3.43Å
273T94.9Very high95Very high66 Ų6641.3 Ų41.341%0.40524%0.239SC..  trans-82161.2167.359.60000110.7E275 E276 T277T273-E275 PolarHBondContact O-N 3.12Å; T273-E276 PolarHBondContact N-OE2 2.85Å; T273-E276 PolarHBondContact O-N 3.23Å; T273-E276 WeakPolarHBondContact OG1-CB 3.47Å; T273-E276 VanDerWaalsContact OG1-CD 3.24Å; T273-E276 WeakPolarHBondContact OG1-CG 3.33Å; T273-E276 PolarHBondContact OG1-N 3.04Å; T273-E276 VanDerWaalsContact OG1-N 3.16Å; T273-E276 PolarHBondContact OG1-OE2 3.01Å; T273-T277 PolarHBondContact O-N 2.84Å; T273-T277 VanDerWaalsContact O-N 3.08Å; T273-T277 PolarHBondContact O-OG1 2.8Å
274V94.8Very high94.9Very high45 Ų4543.3 Ų43.327%0.27325%0.25SC..Hα-helixtrans-56.5-40.9172.5166.50000110.5C149 V268 T277 R278C149-V274 HydrophobicContact CB-CG1 3.77Å; V268-V274 HydrophobicContact CG2-CB 4.47Å; V268-V274 HydrophobicContact CG2-CG2 3.78Å; V274-T277 PolarHBondContact O-N 3.07Å; V274-R278 WeakPolarHBondContact O-CB 3.39Å; V274-R278 WeakPolarHBondContact O-CG 3.36Å; V274-R278 PolarHBondContact O-N 3.06Å
275E95.1Very high94.9Very high115 Ų11543.4 Ų43.454%0.53725%0.25SC..Hα-helixtrans-65.5-46.9-178.6-67.668.5-152.300111.6T273 T277 R278 I279T273-E275 PolarHBondContact O-N 3.12Å; E275-T277 VanDerWaalsContact C-N 3.35Å; E275-T277 PolarHBondContact O-N 3.38Å; E275-R278 PolarHBondContact O-N 3.18Å; E275-I279 VanDerWaalsContact O-CG1 3.27Å; E275-I279 WeakPolarHBondContact O-CG1 3.35Å; E275-I279 PolarHBondContact O-N 3.1Å
276E94.9Very high94.9Very high81 Ų8147.9 Ų47.938%0.37927%0.266SS..Hα-helixtrans-61.6-43.1176.1-73.3163.4150.500111.6N272 T273 I279 F280N272-E276 WeakPolarHBondContact CA-OE2 3.43Å; T273-E276 PolarHBondContact N-OE2 2.85Å; T273-E276 PolarHBondContact O-N 3.23Å; T273-E276 WeakPolarHBondContact OG1-CB 3.47Å; T273-E276 VanDerWaalsContact OG1-CD 3.24Å; T273-E276 WeakPolarHBondContact OG1-CG 3.33Å; T273-E276 PolarHBondContact OG1-N 3.04Å; T273-E276 VanDerWaalsContact OG1-N 3.16Å; T273-E276 PolarHBondContact OG1-OE2 3.01Å; E276-I279 PolarHBondContact O-N 3.29Å; E276-F280 PolarHBondContact O-N 3.38Å; E276-F280 VanDerWaalsContact O-N 3.07Å
277T94.7Very high94.9Very high2 Ų249.2 Ų49.21%0.01228%0.275CS..Hα-helixtrans-63.1-44.6176.8-62.20000111.5V266 P269 T273 V274 E275 F280 V281V266-T277 HydrophobicContact CG1-CG2 3.85Å; P269-T277 VanDerWaalsContact CD-OG1 3.26Å; P269-T277 WeakPolarHBondContact CD-OG1 3.33Å; T273-T277 PolarHBondContact O-N 2.84Å; T273-T277 VanDerWaalsContact O-N 3.08Å; T273-T277 PolarHBondContact O-OG1 2.8Å; V274-T277 PolarHBondContact O-N 3.07Å; E275-T277 VanDerWaalsContact C-N 3.35Å; E275-T277 PolarHBondContact O-N 3.38Å; T277-F280 PolarHBondContact O-N 3.03Å; T277-V281 HydrophobicContact CG2-CG2 4.43Å; T277-V281 WeakPolarHBondContact O-CG2 3.4Å; T277-V281 PolarHBondContact O-N 2.7Å
278R94.5Very high95Very high46 Ų4647.7 Ų47.717%0.17427%0.267CS..Hα-helixtrans-60.6-50.3175.6-79.6-174178127.8-4.7111.5C149 C150 V274 E275 F280 V281 D282C149-R278 HydrophobicContact CB-CG 4.23Å; C150-R278 PolarHBondContact O-NE 2.95Å; C150-R278 PolarHBondContact O-NH2 3.18Å; V274-R278 WeakPolarHBondContact O-CB 3.39Å; V274-R278 WeakPolarHBondContact O-CG 3.36Å; V274-R278 PolarHBondContact O-N 3.06Å; E275-R278 PolarHBondContact O-N 3.18Å; R278-F280 PolarHBondContact O-N 3.35Å; R278-V281 PolarHBondContact O-N 3.4Å; R278-D282 WeakPolarHBondContact O-CA 3.19Å; R278-D282 WeakPolarHBondContact O-CB 3.36Å; R278-D282 PolarHBondContact O-N 3.48Å
279I94.8Very high95.1Very high96 Ų9646.5 Ų46.549%0.49226%0.259SS..Hα-helixtrans-54.6-42.9179.8-70.8165000111.1V77 E275 E276 T283V77-I279 HydrophobicContact CG1-CG2 4.23Å; V77-I279 HydrophobicContact CG2-CG2 4.48Å; E275-I279 VanDerWaalsContact O-CG1 3.27Å; E275-I279 WeakPolarHBondContact O-CG1 3.35Å; E275-I279 PolarHBondContact O-N 3.1Å; E276-I279 PolarHBondContact O-N 3.29Å; I279-T283 WeakPolarHBondContact O-CB 3.28Å; I279-T283 PolarHBondContact O-N 3.41Å; I279-T283 VanDerWaalsContact O-N 3.1Å; I279-T283 PolarHBondContact O-OG1 2.9Å
280F93.7Very high95.3Very high33 Ų3349.5 Ų49.515%0.14527%0.272CS..Hα-helixtrans-62.5-55.8177.5176-109.9000112.4V77 M80 L236 E276 T277 R278 D282 T283 I284V77-F280 HydrophobicContact CG1-CB 4.32Å; V77-F280 HydrophobicContact CG1-CD2 4.11Å; V77-F280 WeakPolarHBondContact O-CD2 3.4Å; M80-F280 HydrophobicContact CE-CB 3.61Å; M80-F280 HydrophobicContact CE-CD1 3.75Å; M80-F280 HydrophobicContact CE-CG 3.77Å; L236-F280 HydrophobicContact CD2-CD1 4.39Å; L236-F280 HydrophobicContact CD2-CE1 4.01Å; E276-F280 PolarHBondContact O-N 3.38Å; E276-F280 VanDerWaalsContact O-N 3.07Å; T277-F280 PolarHBondContact O-N 3.03Å; R278-F280 PolarHBondContact O-N 3.35Å; F280-D282 PolarHBondContact O-N 3.29Å; F280-T283 WeakPolarHBondContact O-CB 3.42Å; F280-T283 PolarHBondContact O-N 3.33Å; F280-I284 HydrophobicContact CD1-CD1 4.28Å; F280-I284 HydrophobicContact CE1-CD1 3.75Å; F280-I284 HydrophobicContact CE2-CD1 4.16Å; F280-I284 HydrophobicContact CZ-CD1 3.69Å; F280-I284 PolarHBondContact O-N 3.07Å
281V94.8Very high95.5Very high2 Ų244 Ų441%0.01224%0.237CC..Hα-helixtrans-67.7-39.6-176.3-179.50000111.3L236 Y239 Y264 V266 T277 R278 T283 I284 V285L236-V281 HydrophobicContact CD2-CG2 3.8Å; Y239-V281 HydrophobicContact CD2-CG1 4.41Å; Y239-V281 HydrophobicContact CE2-CG1 3.68Å; Y264-V281 HydrophobicContact CD1-CG1 3.71Å; Y264-V281 HydrophobicContact CD2-CG1 3.7Å; Y264-V281 HydrophobicContact CE1-CB 4.18Å; Y264-V281 HydrophobicContact CE1-CG1 3.51Å; Y264-V281 HydrophobicContact CE2-CB 3.89Å; Y264-V281 HydrophobicContact CE2-CG1 3.52Å; Y264-V281 HydrophobicContact CE2-CG2 4.44Å; Y264-V281 HydrophobicContact CG-CG1 3.8Å; Y264-V281 VanDerWaalsContact CZ-CG1 3.42Å; V266-V281 HydrophobicContact CG1-CG2 4.33Å; T277-V281 HydrophobicContact CG2-CG2 4.43Å; T277-V281 WeakPolarHBondContact O-CG2 3.4Å; T277-V281 PolarHBondContact O-N 2.7Å; R278-V281 PolarHBondContact O-N 3.4Å; V281-T283 PolarHBondContact O-N 3.45Å; V281-I284 WeakPolarHBondContact O-CB 3.47Å; V281-I284 PolarHBondContact O-N 3.18Å; V281-V285 HydrophobicContact CG1-CG2 4.29Å; V281-V285 WeakPolarHBondContact O-CG2 3.18Å; V281-V285 PolarHBondContact O-N 3.19Å
282D94.8Very high95.7Very high31 Ų3140.7 Ų40.717%0.16620%0.202CC..Hα-helixtrans-57.4-39.4175-78.76.1000111.8M153 Y264 R278 F280 I284 R286M153-D282 HydrophobicContact CE-CB 3.22Å; M153-D282 VanDerWaalsContact CE-O 3.28Å; M153-D282 WeakPolarHBondContact CE-O 3.47Å; M153-D282 WeakPolarHBondContact CE-OD1 3.37Å; Y264-D282 WeakPolarHBondContact CE1-OD1 3.38Å; Y264-D282 PolarHBondContact OH-OD1 2.8Å; R278-D282 WeakPolarHBondContact O-CA 3.19Å; R278-D282 WeakPolarHBondContact O-CB 3.36Å; R278-D282 PolarHBondContact O-N 3.48Å; F280-D282 PolarHBondContact O-N 3.29Å; D282-I284 VanDerWaalsContact C-N 3.35Å; D282-R286 WeakPolarHBondContact O-CB 3.39Å; D282-R286 PolarHBondContact O-N 3.37Å; D282-R286 PolarHBondContact O-NH1 2.85Å
283T94.9Very high95.9Very high28 Ų2841.7 Ų41.717%0.17221%0.206CC..Hα-helixtrans-63.1-43.8176.4-61.20000110.9V73 I279 F280 V281 C287V73-T283 HydrophobicContact CG1-CG2 3.71Å; V73-T283 HydrophobicContact CG2-CG2 4.46Å; I279-T283 WeakPolarHBondContact O-CB 3.28Å; I279-T283 PolarHBondContact O-N 3.41Å; I279-T283 VanDerWaalsContact O-N 3.1Å; I279-T283 PolarHBondContact O-OG1 2.9Å; F280-T283 WeakPolarHBondContact O-CB 3.42Å; F280-T283 PolarHBondContact O-N 3.33Å; V281-T283 PolarHBondContact O-N 3.45Å; T283-C287 WeakPolarHBondContact O-CB 3.39Å; T283-C287 PolarHBondContact O-N 3.08Å; T283-C287 PolarHBondContact O-SG 2.98Å
284I93.8Very high96.1Very high42 Ų4240.3 Ų40.322%0.21520%0.204CC..Hα-helixtrans-64.1-50.1178.7-64169.8000110.8F180 F280 V281 D282 R286 C287 N288F180-I284 HydrophobicContact CD2-CG2 4.34Å; F280-I284 HydrophobicContact CD1-CD1 4.28Å; F280-I284 HydrophobicContact CE1-CD1 3.75Å; F280-I284 HydrophobicContact CE2-CD1 4.16Å; F280-I284 HydrophobicContact CZ-CD1 3.69Å; F280-I284 PolarHBondContact O-N 3.07Å; V281-I284 WeakPolarHBondContact O-CB 3.47Å; V281-I284 PolarHBondContact O-N 3.18Å; D282-I284 VanDerWaalsContact C-N 3.35Å; I284-R286 PolarHBondContact O-N 3.02Å; I284-C287 PolarHBondContact O-N 2.88Å; I284-N288 PolarHBondContact O-N 3.14Å; I284-N288 PolarHBondContact O-ND2 3.06Å
285V95.6Very high96.2Very high1 Ų139.4 Ų39.41%0.00620%0.199CC..Hα-helixtrans-60.8-45.6-179.5175.50000110.6M153 E262 Y264 V281 C287 N288 L289M153-V285 HydrophobicContact CB-CG1 4.17Å; M153-V285 HydrophobicContact CG-CG1 4.13Å; M153-V285 HydrophobicContact SD-CB 3.89Å; M153-V285 HydrophobicContact SD-CG1 3.68Å; E262-V285 HydrophobicContact CB-CG1 3.94Å; E262-V285 HydrophobicContact CG-CG1 3.94Å; Y264-V285 HydrophobicContact CD1-CG2 4.08Å; Y264-V285 HydrophobicContact CE1-CG2 4.4Å; V281-V285 HydrophobicContact CG1-CG2 4.29Å; V281-V285 WeakPolarHBondContact O-CG2 3.18Å; V281-V285 PolarHBondContact O-N 3.19Å; V285-C287 PolarHBondContact O-N 3.42Å; V285-N288 WeakPolarHBondContact O-CB 3.38Å; V285-N288 PolarHBondContact O-N 2.81Å; V285-L289 HydrophobicContact CG1-CD1 4.06Å; V285-L289 HydrophobicContact CG1-CG 4.41Å; V285-L289 WeakPolarHBondContact O-CG 3.44Å; V285-L289 PolarHBondContact O-N 3.38Å
286R96.6Very high96.4Very high108 Ų10834 Ų3441%0.40817%0.174SC..Hα-helixtrans-60.8-44.7177.9-170.6179.2-61.499.31.9112.4M153 D282 I284 N288 L289 Q290M153-R286 HydrophobicContact SD-CB 3.94Å; D282-R286 WeakPolarHBondContact O-CB 3.39Å; D282-R286 PolarHBondContact O-N 3.37Å; D282-R286 PolarHBondContact O-NH1 2.85Å; I284-R286 PolarHBondContact O-N 3.02Å; R286-N288 VanDerWaalsContact C-N 3.3Å; R286-N288 PolarHBondContact O-N 2.86Å; R286-L289 PolarHBondContact O-N 3.04Å; R286-Q290 WeakPolarHBondContact O-CB 3.18Å; R286-Q290 VanDerWaalsContact O-CG 3.3Å; R286-Q290 WeakPolarHBondContact O-CG 3.34Å; R286-Q290 PolarHBondContact O-N 3.5Å
287C97Very high96.4Very high29 Ų2932.7 Ų32.720%0.19617%0.169CC..Hα-helixtrans-61.8-39.5176.8-69.20000111.8F180 T283 I284 V285 S291F180-C287 HydrophobicContact CE2-CB 3.79Å; F180-C287 HydrophobicContact CZ-CB 4.28Å; T283-C287 WeakPolarHBondContact O-CB 3.39Å; T283-C287 PolarHBondContact O-N 3.08Å; T283-C287 PolarHBondContact O-SG 2.98Å; I284-C287 PolarHBondContact O-N 2.88Å; V285-C287 PolarHBondContact O-N 3.42Å; C287-S291 WeakPolarHBondContact O-CB 3.4Å; C287-S291 PolarHBondContact O-N 3.08Å
288N97.7Very high96.5Very high9 Ų940.5 Ų40.55%0.04820%0.198CC..Hα-helixtrans-63.5-47.4176.8-67.8-26000111.3Y177 K178 I284 V285 R286 S291 L292Y177-N288 WeakPolarHBondContact CD2-O 3.38Å; Y177-N288 HydrophobicContact CE2-CB 4.31Å; K178-N288 HydrophobicContact CG-CB 4.25Å; I284-N288 PolarHBondContact O-N 3.14Å; I284-N288 PolarHBondContact O-ND2 3.06Å; V285-N288 WeakPolarHBondContact O-CB 3.38Å; V285-N288 PolarHBondContact O-N 2.81Å; R286-N288 VanDerWaalsContact C-N 3.3Å; R286-N288 PolarHBondContact O-N 2.86Å; N288-S291 PolarHBondContact O-N 2.85Å; N288-L292 WeakPolarHBondContact O-CB 3.46Å; N288-L292 PolarHBondContact O-N 3.24Å
289L98.2Very high96.6Very high4 Ų442.2 Ų42.22%0.02121%0.208CC..Hα-helixtrans-65.1-42.1-179.5-67.9176.7000112.4M153 Q155 V260 E262 V285 R286 S291 L292 E293M153-L289 HydrophobicContact CB-CD1 3.76Å; Q155-L289 HydrophobicContact CB-CB 3.94Å; Q155-L289 HydrophobicContact CB-CD1 4.1Å; Q155-L289 HydrophobicContact CB-CD2 4.45Å; Q155-L289 HydrophobicContact CB-CG 4.39Å; Q155-L289 HydrophobicContact CG-CB 4.2Å; V260-L289 HydrophobicContact CB-CD2 4.29Å; V260-L289 HydrophobicContact CG1-CD2 3.64Å; E262-L289 HydrophobicContact CB-CD1 4.46Å; E262-L289 HydrophobicContact CB-CD2 4.35Å; V285-L289 HydrophobicContact CG1-CD1 4.06Å; V285-L289 HydrophobicContact CG1-CG 4.41Å; V285-L289 WeakPolarHBondContact O-CG 3.44Å; V285-L289 PolarHBondContact O-N 3.38Å; R286-L289 PolarHBondContact O-N 3.04Å; L289-S291 VanDerWaalsContact C-N 3.33Å; L289-S291 PolarHBondContact O-N 2.92Å; L289-L292 WeakPolarHBondContact O-CB 3.29Å; L289-L292 PolarHBondContact O-N 3.1Å; L289-E293 PolarHBondContact O-N 2.68Å
290Q98.1Very high96.6Very high73 Ų7340.7 Ų40.734%0.34120%0.201SC..Hα-helixtrans-63.6-40174.6-72.1174.5-25.100112R286 L292 E293 G294R286-Q290 WeakPolarHBondContact O-CB 3.18Å; R286-Q290 VanDerWaalsContact O-CG 3.3Å; R286-Q290 WeakPolarHBondContact O-CG 3.34Å; R286-Q290 PolarHBondContact O-N 3.5Å; Q290-L292 VanDerWaalsContact C-N 3.34Å; Q290-E293 PolarHBondContact O-N 2.87Å; Q290-G294 PolarHBondContact O-N 2.81Å; Q290-G294 VanDerWaalsContact O-N 3.09Å
291S98.3Very high96.6Very high7 Ų744.6 Ų44.65%0.04922%0.219CC..Hα-helixtrans-70.4-32.8176-172.50000112.4Y177 R179 C287 N288 L289 T295Y177-S291 WeakPolarHBondContact O-CB 3.21Å; Y177-S291 PolarHBondContact O-OG 3.45Å; R179-S291 WeakPolarHBondContact CG-OG 3.31Å; R179-S291 PolarHBondContact NE-OG 3.15Å; C287-S291 WeakPolarHBondContact O-CB 3.4Å; C287-S291 PolarHBondContact O-N 3.08Å; N288-S291 PolarHBondContact O-N 2.85Å; L289-S291 VanDerWaalsContact C-N 3.33Å; L289-S291 PolarHBondContact O-N 2.92Å; S291-T295 WeakPolarHBondContact O-CB 3.23Å; S291-T295 PolarHBondContact O-N 3.29Å; S291-T295 PolarHBondContact O-OG1 3.41Å
292L98.6Very high96.5Very high1 Ų148.5 Ų48.51%0.00524%0.239CC..Hα-helixtrans-60.5-49.5173177.663.1000110.4I157 V164 L167 V168 Y177 V260 N288 L289 Q290 G294 T295 V296I157-L292 HydrophobicContact CD1-CD2 3.99Å; I157-L292 HydrophobicContact CD1-CG 3.94Å; V164-L292 HydrophobicContact CG1-CD2 4.03Å; V164-L292 HydrophobicContact CG1-CG 4.46Å; L167-L292 HydrophobicContact CB-CD1 3.95Å; L167-L292 HydrophobicContact CD1-CD1 3.94Å; V168-L292 HydrophobicContact CG2-CD1 4Å; V168-L292 HydrophobicContact CG2-CD2 3.52Å; V168-L292 HydrophobicContact CG2-CG 4.42Å; Y177-L292 HydrophobicContact CD1-CD1 4.06Å; Y177-L292 HydrophobicContact CD2-CB 3.67Å; Y177-L292 HydrophobicContact CD2-CD1 4.18Å; Y177-L292 HydrophobicContact CD2-CG 4.42Å; Y177-L292 HydrophobicContact CE1-CD1 4.44Å; Y177-L292 HydrophobicContact CE2-CB 4.21Å; Y177-L292 HydrophobicContact CG-CB 4.09Å; Y177-L292 HydrophobicContact CG-CD1 3.92Å; V260-L292 HydrophobicContact CG1-CD2 4.33Å; V260-L292 HydrophobicContact CG2-CD2 4.18Å; N288-L292 WeakPolarHBondContact O-CB 3.46Å; N288-L292 PolarHBondContact O-N 3.24Å; L289-L292 WeakPolarHBondContact O-CB 3.29Å; L289-L292 PolarHBondContact O-N 3.1Å; Q290-L292 VanDerWaalsContact C-N 3.34Å; L292-G294 PolarHBondContact O-N 2.81Å; L292-T295 PolarHBondContact O-N 3.14Å; L292-V296 HydrophobicContact CD1-CG2 4.05Å; L292-V296 HydrophobicContact CG-CG2 4.47Å; L292-V296 VanDerWaalsContact O-CG2 3.3Å; L292-V296 WeakPolarHBondContact O-CG2 3.43Å; L292-V296 PolarHBondContact O-N 3.23Å
293E98.3Very high96.4Very high57 Ų5751 Ų5127%0.26626%0.264SS..Hα-helixtrans-52.8-55.1175.2176.6175.3-151.400111.4Q155 I157 L289 Q290 T295 V296 I297Q155-E293 PolarHBondContact NE2-OE2 3.08Å; I157-E293 HydrophobicContact CD1-CB 4.21Å; I157-E293 HydrophobicContact CG1-CB 4.04Å; I157-E293 HydrophobicContact CG1-CG 4.38Å; I157-E293 HydrophobicContact CG2-CB 4.43Å; I157-E293 HydrophobicContact CG2-CG 4.27Å; L289-E293 PolarHBondContact O-N 2.68Å; Q290-E293 PolarHBondContact O-N 2.87Å; E293-T295 VanDerWaalsContact C-N 3.33Å; E293-T295 PolarHBondContact O-N 3.14Å; E293-V296 PolarHBondContact O-N 3.31Å; E293-I297 HydrophobicContact CG-CD1 3.74Å; E293-I297 WeakPolarHBondContact O-CG1 2.92Å; E293-I297 PolarHBondContact O-N 3.48Å
294G97.9Very high96.1Very high36 Ų3653.5 Ų53.537%0.37129%0.288SS..Hα-helixtrans-61.3-38.2-179.900000113.6Q290 L292 R298Q290-G294 PolarHBondContact O-N 2.81Å; Q290-G294 VanDerWaalsContact O-N 3.09Å; L292-G294 PolarHBondContact O-N 2.81Å; G294-R298 VanDerWaalsContact O-CB 3.32Å; G294-R298 WeakPolarHBondContact O-CB 3.26Å; G294-R298 PolarHBondContact O-N 3.26Å; G294-R298 VanDerWaalsContact O-N 3.15Å
295T98.3Very high95.8Very high27 Ų2757.4 Ų57.417%0.16631%0.307CS..Hα-helixtrans-66.1-45.2177.1-66.40000111.4L167 R176 S291 L292 E293 Q299L167-T295 HydrophobicContact CD1-CG2 3.67Å; R176-T295 PolarHBondContact O-OG1 2.71Å; S291-T295 WeakPolarHBondContact O-CB 3.23Å; S291-T295 PolarHBondContact O-N 3.29Å; S291-T295 PolarHBondContact O-OG1 3.41Å; L292-T295 PolarHBondContact O-N 3.14Å; E293-T295 VanDerWaalsContact C-N 3.33Å; E293-T295 PolarHBondContact O-N 3.14Å; T295-Q299 WeakPolarHBondContact O-CG 3.13Å; T295-Q299 PolarHBondContact O-N 2.93Å
296V98.1Very high94.9Very high1 Ų163.1 Ų63.11%0.00634%0.344CS..Hα-helixtrans-65.8-47.7-1791760000110.9I157 A159 A163 V164 L167 L292 E293 R298 Q299 L300I157-V296 HydrophobicContact CG2-CB 4.49Å; A159-V296 HydrophobicContact CB-CG1 3.35Å; A163-V296 HydrophobicContact CB-CG1 4.12Å; V164-V296 HydrophobicContact CG2-CG1 4.13Å; V164-V296 HydrophobicContact CG2-CG2 4.21Å; L167-V296 HydrophobicContact CD1-CG2 3.49Å; L167-V296 VanDerWaalsContact CD1-CG2 3.49Å; L292-V296 HydrophobicContact CD1-CG2 4.05Å; L292-V296 HydrophobicContact CG-CG2 4.47Å; L292-V296 VanDerWaalsContact O-CG2 3.3Å; L292-V296 WeakPolarHBondContact O-CG2 3.43Å; L292-V296 PolarHBondContact O-N 3.23Å; E293-V296 PolarHBondContact O-N 3.31Å; V296-R298 VanDerWaalsContact C-N 3.31Å; V296-R298 PolarHBondContact O-N 2.81Å; V296-Q299 PolarHBondContact O-N 2.72Å; V296-Q299 VanDerWaalsContact O-N 3.12Å; V296-L300 HydrophobicContact CG1-CD1 4.14Å; V296-L300 HydrophobicContact CG1-CG 4.44Å; V296-L300 WeakPolarHBondContact O-CG 3.4Å; V296-L300 PolarHBondContact O-N 2.87Å
297I96.4Very high93.6Very high54 Ų5465.8 Ų65.828%0.27736%0.361SS..Hα-helixtrans-57.2-47.8179.1-69171000110.1E293 Q299 L300 E301E293-I297 HydrophobicContact CG-CD1 3.74Å; E293-I297 WeakPolarHBondContact O-CG1 2.92Å; E293-I297 PolarHBondContact O-N 3.48Å; I297-Q299 VanDerWaalsContact C-N 3.32Å; I297-Q299 PolarHBondContact O-N 2.82Å; I297-L300 PolarHBondContact O-N 3.33Å; I297-E301 HydrophobicContact CG2-CG 4.44Å; I297-E301 WeakPolarHBondContact O-CG 3.34Å; I297-E301 PolarHBondContact O-N 3.2Å
298R96.7Very high92.2Very high165 Ų16570.9 Ų70.962%0.62339%0.386SS*.Hα-helixtrans-61-38.3177.7-173.9177.7-175-86.8-2.7112.8G294 V296 I302G294-R298 VanDerWaalsContact O-CB 3.32Å; G294-R298 WeakPolarHBondContact O-CB 3.26Å; G294-R298 PolarHBondContact O-N 3.26Å; G294-R298 VanDerWaalsContact O-N 3.15Å; V296-R298 VanDerWaalsContact C-N 3.31Å; V296-R298 PolarHBondContact O-N 2.81Å; R298-I302 HydrophobicContact CG-CD1 3.99Å; R298-I302 VanDerWaalsContact O-CG1 3.28Å; R298-I302 WeakPolarHBondContact O-CG1 3.4Å; R298-I302 PolarHBondContact O-N 2.84Å; R298-I302 VanDerWaalsContact O-N 3.07Å
299Q95.7Very high90.5Very high82 Ų8277.1 Ų77.138%0.38342%0.419SS..Hα-helixtrans-65.8-40.2177.2-78.3-179.8-1300112T295 V296 I297 A303T295-Q299 WeakPolarHBondContact O-CG 3.13Å; T295-Q299 PolarHBondContact O-N 2.93Å; V296-Q299 PolarHBondContact O-N 2.72Å; V296-Q299 VanDerWaalsContact O-N 3.12Å; I297-Q299 VanDerWaalsContact C-N 3.32Å; I297-Q299 PolarHBondContact O-N 2.82Å; Q299-A303 WeakPolarHBondContact O-CB 3.35Å; Q299-A303 PolarHBondContact O-N 3.22Å
300L94.8Very high88.5Confident64 Ų6483.3 Ų83.334%0.33545%0.452SS..Hα-helixtrans-67.5-41176.7-66.3175.4000112A159 A163 V296 I297 A303 A304A159-L300 HydrophobicContact CB-CD1 3.65Å; A163-L300 HydrophobicContact CB-CD2 4.2Å; V296-L300 HydrophobicContact CG1-CD1 4.14Å; V296-L300 HydrophobicContact CG1-CG 4.44Å; V296-L300 WeakPolarHBondContact O-CG 3.4Å; V296-L300 PolarHBondContact O-N 2.87Å; I297-L300 PolarHBondContact O-N 3.33Å; L300-A303 PolarHBondContact O-N 2.98Å; L300-A304 WeakPolarHBondContact O-CB 3.26Å; L300-A304 PolarHBondContact O-N 3.28Å
301E94.3Very high86.3Confident116 Ų11689.1 Ų89.154%0.54248%0.479SS..Hα-helixtrans-61.3-46.1175.9-72.6171.5169.600111.8I297 A303 A304 M305I297-E301 HydrophobicContact CG2-CG 4.44Å; I297-E301 WeakPolarHBondContact O-CG 3.34Å; I297-E301 PolarHBondContact O-N 3.2Å; E301-A303 VanDerWaalsContact C-N 3.34Å; E301-A303 PolarHBondContact O-N 2.89Å; E301-A304 PolarHBondContact O-N 3.38Å; E301-M305 WeakPolarHBondContact O-CG 3.28Å; E301-M305 PolarHBondContact O-N 2.87Å
302I93.4Very high83.9Confident83 Ų8399.5 Ų99.543%0.42653%0.534SS..Hα-helixtrans-62.7-41.8176.9-69.1167.7000110.9R298 A304 M305R298-I302 HydrophobicContact CG-CD1 3.99Å; R298-I302 VanDerWaalsContact O-CG1 3.28Å; R298-I302 WeakPolarHBondContact O-CG1 3.4Å; R298-I302 PolarHBondContact O-N 2.84Å; R298-I302 VanDerWaalsContact O-N 3.07Å; I302-A304 PolarHBondContact O-N 2.9Å; I302-M305 PolarHBondContact O-N 2.86Å
303A91.4Very high83.2Confident84 Ų84104.4 Ų104.469%0.69456%0.561SS**Hα-helixtrans-68.2-22.817800000113.3Q299 L300 E301Q299-A303 WeakPolarHBondContact O-CB 3.35Å; Q299-A303 PolarHBondContact O-N 3.22Å; L300-A303 PolarHBondContact O-N 2.98Å; E301-A303 VanDerWaalsContact C-N 3.34Å; E301-A303 PolarHBondContact O-N 2.89Å
304A89.4Confident82.4Confident80 Ų80106.9 Ų106.966%0.66158%0.576SS**Hα-helixtrans-90.3-8.417700000113.7L300 E301 I302L300-A304 WeakPolarHBondContact O-CB 3.26Å; L300-A304 PolarHBondContact O-N 3.28Å; E301-A304 PolarHBondContact O-N 3.38Å; I302-A304 PolarHBondContact O-N 2.9Å
305M86.9Confident81.6Confident125 Ų125110.8 Ų110.862%0.61659%0.588SS**SBendtrans-64.2131.8175.1-67.7-173.7-178.200109.6E301 I302 H307E301-M305 WeakPolarHBondContact O-CG 3.28Å; E301-M305 PolarHBondContact O-N 2.87Å; I302-M305 PolarHBondContact O-N 2.86Å; M305-H307 PolarHBondContact O-N 3.24Å
306P76Confident80.6Confident121 Ų121115.8 Ų115.879%0.78661%0.612SS**PPolyproline II helixtrans-60.1128.8175.123.8-30.8000109.2D308P306-D308 PolarHBondContact O-N 3.09Å
307H71Confident79.5Confident164 Ų164122.9 Ų122.976%0.75965%0.65SS**PPolyproline II helixtrans-64.6116.4172.7-145.4-82.7000107.1M305 D309M305-H307 PolarHBondContact O-N 3.24Å; H307-D309 VanDerWaalsContact C-N 3.26Å; H307-D309 IonicContact ND1-OD1 3.84Å; H307-D309 PolarHBondContact ND1-OD1 3.39Å; H307-D309 PolarHBondContact O-N 2.76Å
308D67.4Low78.4Confident135 Ų135127.5 Ų127.572%0.72268%0.675SS**  trans-73.684.6179.9-164.110000108.4P306 N310P306-D308 PolarHBondContact O-N 3.09Å; D308-N310 PolarHBondContact O-N 2.74Å
309D60.6Low77Confident141 Ų141124.9 Ų124.975%0.75468%0.679SS**  trans-73.340177.6-70.5-21.2000111.9H307H307-D309 VanDerWaalsContact C-N 3.26Å; H307-D309 IonicContact ND1-OD1 3.84Å; H307-D309 PolarHBondContact ND1-OD1 3.39Å; H307-D309 PolarHBondContact O-N 2.76Å
310N55.8Low75.6Confident134 Ų134128.2 Ų128.272%0.71770%0.702SS**  trans-116.240.2173.9-150.822.8000112.1D308D308-N310 PolarHBondContact O-N 2.74Å
311Q53.3Low74Confident194 Ų194133.5 Ų133.591%0.90773%0.732SS**  trans-105.678.8159.3-75.4178.6-300108.7
312N48.6Very low72.2Confident225 Ų225135.1 Ų135.1100%1.20375%0.749SS**  trans-132.50158.4-16658000109.4

Retrieved 312 of 312 residues in 383.5 ms (Link to these results)