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Isoform 3 of Synaptotagmin-like protein 3 AlphaSync

Canonical isoform description: May act as Rab effector protein and play a role in vesicle trafficking. Binds phospholipids in the presence of calcium ions.

AlphaFold DB , UniProt , Accession Q99N48-3 (canonical: Q99N48), Species MOUSE (Mus musculus, Mouse), Gene Sytl3, Length 393 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.9Very low46Very low253 Ų253152.3 Ų152.3100%1.24681%0.813SS**  0115.10-80.8-174.8161.200106.7
2D46.5Very low46Very low146 Ų146159.8 Ų159.878%0.78182%0.822SS**  trans-83.3162.6-164.2-150.8-2.9000111.6
3P54.1Low45.7Very low102 Ų102166.8 Ų166.866%0.66283%0.831SS**  -153.514986.933-11000118.5
4R45.1Very low45.7Very low219 Ų219162.2 Ų162.283%0.82682%0.823SS**  trans58.3125.5132.9-56.9172-176-173.70.6120.5
5Q50.2Low45.6Very low172 Ų172163.2 Ų163.280%0.80482%0.824SS**  167139.497.8-87.9-169.4500114.6
6C45.1Very low45.8Very low121 Ų121159 Ų15982%0.81881%0.814SS**  trans73.1116.9147.2-74.30000123
7V41.2Very low45.7Very low153 Ų153160.1 Ų160.193%0.92782%0.822SS**  trans-130.7133.6163.9175.50000108.5
8G45.4Very low46.5Very low67 Ų67158.4 Ų158.469%0.69182%0.821SS**  trans-139.8120.1160.600000108.2
9H46.1Very low46.2Very low175 Ų175154.8 Ų154.881%0.8182%0.817SS**  60.2126.1100.9-116.3-81.1000112.4
10T46Very low46.5Very low91 Ų91154.3 Ų154.356%0.55882%0.819SS**  cis-171.4158.829.3-30.70000111.6
11E44.3Very low46.2Very low176 Ų176153.8 Ų153.882%0.82282%0.817SS**  trans58.8114.2147.6-85.3154.6179.400122.2
12R46.3Very low46.3Very low242 Ų242148.1 Ų148.191%0.91380%0.797SS**  63.186.271-90.6-164.7177-169.31.4117.2
13R42.2Very low45.9Very low251 Ų251147 Ų14795%0.94780%0.795SS**  33.5119.1125.7-149.5175.2-166.1167.62.8119.7
14S46.2Very low45.4Very low103 Ų103147.5 Ų147.572%0.7280%0.801SS**  trans-149.6115.2157.8-171.40000109.3
15Q42.9Very low45.2Very low177 Ų177148 Ų14883%0.82780%0.803SS**  62.4136.2109.1-48.9-158.57.900114.1
16S49.5Very low44.6Very low96 Ų96149.2 Ų149.267%0.67181%0.806SS**  cis-169.9142.822.3-20.80000107.5
17D44.8Very low44.2Very low177 Ų177148.4 Ų148.495%0.94781%0.808SS**  trans-115.9115.2164.1-90.9-32.7000108.9
18T59.2Low44Very low130 Ų130147 Ų14780%0.79880%0.804SS**  trans-107.6126175.4-51.90000109.3
19A40.3Very low43.8Very low91 Ų91150.5 Ų150.575%0.75281%0.813SS**  trans-72.9146.5174.500000112.4
20V53.2Low43.6Very low143 Ų143147 Ų14787%0.86781%0.806SS**  trans-145.3126.7153.8-111.60000111
21N39.9Very low43.2Very low145 Ų145149 Ų14978%0.77581%0.813SS**  trans-96.7128.2179.2-176.21.5000107.8
22V44.4Very low43Very low134 Ų134146.8 Ų146.881%0.81281%0.805SS**  trans-138.7114.2164.8-178.10000110.5
23T38.2Very low42.7Very low121 Ų121143.8 Ų143.874%0.74281%0.806SS**  trans-71.9138168.641.80000113.4
24S43.5Very low42.4Very low114 Ų114141.1 Ų141.180%0.79780%0.802SS**  trans-162.3101.2142.855.80000108.4
25R40.8Very low41.7Very low229 Ų229139.7 Ų139.786%0.86480%0.796SS**  56.2109.393.1-82.7-169.3-173.8179.54.9116.5
26K36.8Very low41.3Very low197 Ų197141.5 Ų141.586%0.85780%0.802SS**  trans67.2118.5135.3-72.2-176.1174.2-174.50119.6
27A37.6Very low40.7Very low105 Ų105145.8 Ų145.887%0.86881%0.811SS**  -160.6120.5110.900000110.1
28S36.1Very low40.4Very low122 Ų122146.4 Ų146.485%0.85381%0.808SS**  trans-94.5144.3166.6-67.40000109
29T42.6Very low39.3Very low141 Ų141148.9 Ų148.987%0.86581%0.811SS**  trans-148.2149.1149.426.40000109.6
30P40.4Very low39.3Very low103 Ų103151.4 Ų151.467%0.66981%0.812SS**  trans-114.6-161.2-151.635.7-17.2000112.5
31D37.1Very low38.6Very low133 Ų133149.4 Ų149.471%0.71180%0.801SS**  trans88.1145.5159.1-62.7-19.5000118.2
32I40.6Very low38.6Very low128 Ų128150.7 Ų150.766%0.65680%0.8SS**  cis-171.1130.9-9-101.3158.1000101.2
33L39.5Very low38.2Very low179 Ų179151.8 Ų151.894%0.93780%0.796SS**  trans-160.9106.4144.9-87.6-166.7000109.7
34K37.8Very low38.7Very low196 Ų196150.9 Ų150.985%0.85279%0.792SS**  trans-70.2134.1168.8-93.8173.8171.8176.10110.4
35A30.8Very low38.6Very low73 Ų73150.9 Ų150.960%0.60379%0.79SS**  81.7117107.300000116.6
36F34.7Very low38.6Very low215 Ų215147.8 Ų147.894%0.94379%0.79SS**  trans-140.2104.3136.3-94.4-78.1000108.1
37H37.5Very low38.9Very low185 Ų185143.4 Ų143.486%0.85678%0.782SS**  trans-77.9136.1155.4-88-93.9000107.4
38Q38Very low39Very low191 Ų191143.7 Ų143.789%0.89377%0.772SS**  trans-126.2138.6150.3-167.6164.938.400108.2
39E36.2Very low39.2Very low182 Ų182145.5 Ų145.585%0.8577%0.772SS**  trans-73.6142.1-160-60.4174112.600113.5
40D39.3Very low39Very low144 Ų144147.2 Ų147.277%0.7777%0.767SS**  trans-48.9161.4146.9-117.6-34.8000110.2
41P39.8Very low38.9Very low100 Ų100150.3 Ų150.365%0.64977%0.773SS**  -161.2159.367.539.1-16.5000119.4
42K38.7Very low39Very low173 Ų173149.9 Ų149.975%0.75277%0.771SS**  trans68.5142.5135.8-75171.2177.8173.10116.6
43H37.3Very low38.8Very low156 Ų156150.1 Ų150.172%0.72278%0.778SS**  cis179.2-177.212-123-51.1000104.7
44P47.4Very low38.8Very low102 Ų102147 Ų14766%0.66277%0.769SS**  -119-178.9-7019.94.9000112
45P42.4Very low38.9Very low115 Ų115143.4 Ų143.475%0.74777%0.765SS**  trans-91.6167177.237.6-32.8000112.6
46D40.2Very low39.3Very low164 Ų164145.7 Ų145.788%0.87778%0.777SS**  trans-158.5156.8151.1-100.4-21.3000112.2
47P42.5Very low39.4Very low105 Ų105140.8 Ų140.868%0.68277%0.769SS**  trans-125.7-166.8-14825.11000112.7
48V40.7Very low39.6Very low110 Ų110137.6 Ų137.667%0.66777%0.765SS**  trans87.5110.1154-169.60000117.9K50V48-K50 HydrophobicContact CG1-CD 4.42Å; V48-K50 HydrophobicContact CG1-CG 4.3Å
49L40.1Very low39.6Very low161 Ų161133.9 Ų133.984%0.84376%0.755SS**  -165.692123.8-161.265000107
50K37.2Very low39.9Very low176 Ų176133.2 Ų133.277%0.76575%0.752SS**  35.6100.486.2-75.7-167.7178.8-176.30113.9V48V48-K50 HydrophobicContact CG1-CD 4.42Å; V48-K50 HydrophobicContact CG1-CG 4.3Å
51Q39.1Very low39.9Very low169 Ų169131.2 Ų131.279%0.7975%0.749SS**  -163.2118.9124.3-147152.6-2.700113.3
52D38.5Very low40Very low124 Ų124130.5 Ų130.566%0.66375%0.751SS**  trans58.9107.7143.8-57.7-20.7000121.5
53T36.8Very low40Very low133 Ų133128.3 Ų128.382%0.81675%0.753SS**  88.6135.864.1-59.50000112.1
54P38.9Very low40.2Very low114 Ų114130.8 Ų130.874%0.7476%0.761SS**  trans-116.9-131.9-144.729.5-6000113.2
55P40.9Very low39.7Very low120 Ų120131.1 Ų131.178%0.77977%0.766SS**  -108.7164.5-93.933.2-16.7000113.2
56S38.3Very low39.4Very low121 Ų121129.8 Ų129.885%0.84677%0.773SS**  trans-123.9116.7167.263.10000112.2
57S38.5Very low39.3Very low112 Ų112125.6 Ų125.678%0.78377%0.769SS**  trans-64.6170.6174.336.30000114.9
58P41.3Very low39.1Very low117 Ų117128.6 Ų128.676%0.7678%0.778SS**  trans-101.3158.6-160.638.7-30.7000113.2
59T37.8Very low39.3Very low114 Ų114134.7 Ų134.770%0.69979%0.789SS**  trans-161.7144168.7-7.20000114.6
60H42.6Very low39.3Very low168 Ų168136.2 Ų136.278%0.77879%0.792SS**  trans81.8140.7159.1-56.7-64.4000118.3
61S38.2Very low39.1Very low102 Ų102131.2 Ų131.271%0.71379%0.79SS**  cis162.8131.1-22.747.30000104.9
62A42.1Very low39.2Very low84 Ų84128.5 Ų128.569%0.69479%0.789SS**  trans15494.2158.600000106.9
63V39.5Very low39.1Very low128 Ų128130.5 Ų130.578%0.77680%0.799SS**  45.590.778.6-160.10000112.3
64F40.2Very low39.4Very low207 Ų207131.2 Ų131.291%0.90880%0.796SS**  trans-135.3112.1149.3-97.1-81.2000108.9
65S38.3Very low39Very low110 Ų110131.2 Ų131.277%0.76980%0.799SS**  trans-84.4152173.6-62.70000110.8
66G36.1Very low39.3Very low86 Ų86132.2 Ų132.289%0.88780%0.797SS**  trans97.991.414700000116.4
67G38.4Very low39Very low76 Ų76134.7 Ų134.778%0.78480%0.8SS**  trans-172.790.1167.600000111.7R69G67-R69 PolarHBondContact O-N 2.95Å
68L38.2Very low38.9Very low169 Ų169133.4 Ų133.489%0.88579%0.792SS**  trans-51.5131.1171-68.1109.9000110.8
69R43.7Very low38.4Very low238 Ų238133.8 Ų133.890%0.89879%0.792SS**  166.3129.6121.7-87.7163.3-169.6-156.84112.6G67G67-R69 PolarHBondContact O-N 2.95Å
70H41.6Very low38.3Very low193 Ų193133.2 Ų133.289%0.89479%0.791SS**  trans71.9113.4148.4-127.6-77.2000118.9
71G33.2Very low38.2Very low70 Ų70130.6 Ų130.672%0.72279%0.787SS**  trans-67.9148.9-178.800000114.2
72S39.7Very low38.5Very low112 Ų112131.7 Ų131.778%0.78378%0.781SS**  trans-154.6114.6140.2-1660000109.2I74S72-I74 PolarHBondContact O-N 3.19Å
73L37.8Very low38.5Very low167 Ų167135.3 Ų135.387%0.87479%0.786SS**  trans-76.1105.7172.5-67.2163.6000108.5
74I42.5Very low38.5Very low147 Ų147130.8 Ų130.875%0.75476%0.764SS**  trans-149.766.4155.946.9166.6000110.9S72S72-I74 PolarHBondContact O-N 3.19Å
75S31.4Very low38.8Very low114 Ų114128.9 Ų128.980%0.79776%0.764SS**  trans-95.698.7153.551.20000108.2
76I45.8Very low39.8Very low142 Ų142127.3 Ų127.373%0.72874%0.743SS**  trans-141.489.6164.415.9173.4000109.5S78I76-S78 PolarHBondContact O-N 3.15Å
77N32.3Very low41.2Very low172 Ų172126.6 Ų126.692%0.9272%0.719SS**  trans-61.6110.5145.3-95.3-5.6000107.4
78S36.6Very low42.9Very low86 Ų86127.7 Ų127.760%0.60171%0.707SS**  trans-173.9117.7152.150.20000110.3I76I76-S78 PolarHBondContact O-N 3.15Å
79T31Very low44.7Very low124 Ų124120.6 Ų120.676%0.76167%0.673SS**  40123.4129.5-28.20000117.4
80C34.5Very low46.8Very low103 Ų103116.5 Ų116.570%0.69667%0.669SS**  trans97.8107.6172-51.20000114.5
81T41.6Very low49.2Very low112 Ų112109 Ų10969%0.68764%0.636SS**  156114.5129.545.20000110.6M83T81-M83 PolarHBondContact O-N 2.92Å
82E43.4Very low52.2Low126 Ų126108.8 Ų108.859%0.58962%0.621SS**SBendtrans-75.434.8157.7-157.1179.9158.200110.6R140E82-R140 WeakPolarHBondContact OE1-CD 3.05Å
83M42.2Very low54.9Low160 Ų160104.3 Ų104.379%0.78859%0.593SS**  trans-134.743.9176.8-158.273.575.400108.2T81T81-M83 PolarHBondContact O-N 2.92Å
84G40.5Very low57.8Low32 Ų3299.3 Ų99.333%0.3357%0.565SS.*  trans-72.1129.6165.200000107.9F86G84-F86 WeakPolarHBondContact O-CD2 3.49Å; G84-F86 WeakPolarHBondContact O-CE2 3.45Å; G84-F86 PolarHBondContact O-N 3.27Å
85N46.1Very low60.5Low168 Ų16892.3 Ų92.390%0.89853%0.529SS*.  trans-65.879.1171.6-148.328.2000107.9
86F60Low63.7Low77 Ų7789 Ų8934%0.33850%0.501SS..PPolyproline II helixtrans-79.5125.9176-57.9-65.1000107.2G84 N88 W182 R190G84-F86 WeakPolarHBondContact O-CD2 3.49Å; G84-F86 WeakPolarHBondContact O-CE2 3.45Å; G84-F86 PolarHBondContact O-N 3.27Å; F86-N88 PolarHBondContact O-N 3.2Å; F86-W182 HydrophobicContact CB-CZ3 4.25Å; F86-W182 HydrophobicContact CD1-CZ3 4.06Å; F86-W182 HydrophobicContact CD2-CH2 4.15Å; F86-W182 HydrophobicContact CD2-CZ3 4.05Å; F86-W182 HydrophobicContact CE1-CZ3 4.47Å; F86-W182 HydrophobicContact CE2-CH2 4.39Å; F86-W182 HydrophobicContact CE2-CZ3 4.46Å; F86-W182 HydrophobicContact CG-CH2 4.41Å; F86-W182 AromaticContact CG-CZ3 3.84Å; F86-W182 HydrophobicContact CG-CZ3 3.84Å; F86-R190 HydrophobicContact CD1-CB 3.92Å; F86-R190 WeakPolarHBondContact CD1-O 3.34Å; F86-R190 HydrophobicContact CE1-CB 4.03Å
87D65.4Low66.1Low70 Ų7082.2 Ų82.237%0.37447%0.466SS..EExtended strand (participates in β ladder)trans-66.6137.3170.3-51.4-104.8000109R189 V191 F192D87-R189 VanDerWaalsContact CG-CZ 3.5Å; D87-R189 IonicContact OD1-CZ 3.84Å; D87-R189 IonicContact OD1-NH2 2.74Å; D87-R189 PolarHBondContact OD1-NH2 2.79Å; D87-R189 IonicContact OD2-CZ 2.66Å; D87-R189 IonicContact OD2-NE 2.98Å; D87-R189 PolarHBondContact OD2-NE 3.15Å; D87-R189 IonicContact OD2-NH2 2.9Å; D87-R189 PolarHBondContact OD2-NH2 2.92Å; D87-V191 HydrophobicContact CB-CG1 4.45Å; D87-V191 HydrophobicContact CB-CG2 4.25Å; D87-V191 WeakPolarHBondContact O-CA 3.45Å; D87-V191 WeakPolarHBondContact O-CG1 3.21Å; D87-F192 PolarHBondContact O-N 3.21Å
88N72.6Confident69.1Low100 Ų10074.2 Ų74.254%0.53542%0.424SS..EExtended strand (participates in β ladder)trans-95.6125.9174.2-67.9-23.8000107.8F86F86-N88 PolarHBondContact O-N 3.2Å
89A77.6Confident71.9Confident20 Ų2070.1 Ų70.117%0.16540%0.395CS..PPolyproline II helixtrans-76.5161.916600000109.9V91 A119 V191 F192 L193A89-V91 PolarHBondContact O-N 3.38Å; A89-A119 HydrophobicContact CB-CB 4.06Å; A89-V191 HydrophobicContact CB-CG1 4.04Å; A89-F192 PolarHBondContact N-O 2.89Å; A89-F192 VanDerWaalsContact N-O 3.15Å; A89-L193 HydrophobicContact CB-CD2 3.79Å
90N87Confident74.8Confident151 Ų15166.7 Ų66.781%0.80737%0.371SS*.  trans-64.1100.7165.6-71-15.2000107.8T92 A119N90-T92 PolarHBondContact O-N 2.8Å; N90-A119 WeakPolarHBondContact O-CB 3.24Å
91V92.8Very high77.5Confident35 Ų3563 Ų6321%0.21234%0.342CS..  trans-62.3124.5-171.3172.40000110.9A89 F192 L193 L218 A220A89-V91 PolarHBondContact O-N 3.38Å; V91-F192 HydrophobicContact CG2-CD1 4.36Å; V91-F192 HydrophobicContact CG2-CE1 4.22Å; V91-L193 WeakPolarHBondContact CG1-O 3.37Å; V91-L218 HydrophobicContact CG1-CB 3.89Å; V91-A220 HydrophobicContact CB-CB 4.43Å; V91-A220 HydrophobicContact CG2-CB 4.15Å
92T95.3Very high79.8Confident67 Ų6759.6 Ų59.641%0.41132%0.323SS..  trans-138.6164.7174.2660000110.3N90 N117 A119N90-T92 PolarHBondContact O-N 2.8Å; T92-N117 CarbonylContact C-O 3.56Å; T92-N117 WeakPolarHBondContact CB-O 3.33Å; T92-N117 PolarHBondContact OG1-O 2.98Å; T92-A119 PolarHBondContact OG1-N 2.9Å
93G97.1Very high81.9Confident18 Ų1858.7 Ų58.719%0.18633%0.325CS..  trans92-176.9170.100000114.2K116 N117 L218G93-K116 CarbonylContact C-O 3.49Å; G93-K116 WeakPolarHBondContact CA-O 3.45Å; G93-N117 WeakPolarHBondContact CA-O 3.49Å; G93-N117 PolarHBondContact N-O 2.87Å; G93-L218 WeakPolarHBondContact O-CB 3.32Å; G93-L218 PolarHBondContact O-N 2.86Å
94E98.3Very high84.2Confident61 Ų6161 Ų6129%0.28533%0.331SS..EExtended strand (participates in β ladder)trans-138.4154.1-174.2-50-171.589.400109.4C115 K116 W215 Y216E94-C115 CarbonylContact O-C 3.58Å; E94-C115 VanDerWaalsContact O-CA 3.23Å; E94-C115 WeakPolarHBondContact O-CA 3.32Å; E94-C115 WeakPolarHBondContact O-CB 3.42Å; E94-K116 HydrophobicContact CB-CG 4.4Å; E94-K116 PolarHBondContact N-O 2.81Å; E94-K116 PolarHBondContact O-N 3.29Å; E94-K116 WeakPolarHBondContact OE2-CE 3.34Å; E94-K116 IonicContact OE2-NZ 2.84Å; E94-K116 PolarHBondContact OE2-NZ 2.69Å; E94-W215 HydrophobicContact CB-CE3 3.71Å; E94-W215 HydrophobicContact CB-CZ3 4.22Å; E94-Y216 CarbonylContact C-O 3.35Å; E94-Y216 VanDerWaalsContact CA-O 3.27Å; E94-Y216 WeakPolarHBondContact CA-O 3.5Å; E94-Y216 WeakPolarHBondContact CB-O 3.35Å
95I98.6Very high86.5Confident0 Ų061.9 Ų61.90%033%0.332CS..EExtended strand (participates in β ladder)trans-119.8137.3175.2-176.7170.8000109.8F97 I112 V132 V179 V181 V196 W215 Y216 L218I95-F97 HydrophobicContact CD1-CD1 4.38Å; I95-F97 HydrophobicContact CG1-CD1 4.11Å; I95-F97 HydrophobicContact CG2-CD1 4.07Å; I95-F97 HydrophobicContact CG2-CE1 3.99Å; I95-I112 HydrophobicContact CD1-CG2 4.37Å; I95-V132 HydrophobicContact CD1-CG1 4.11Å; I95-V132 HydrophobicContact CD1-CG2 3.83Å; I95-V179 HydrophobicContact CD1-CG1 3.8Å; I95-V181 HydrophobicContact CD1-CG2 4.04Å; I95-V196 HydrophobicContact CG2-CG2 3.78Å; I95-W215 CarbonylContact O-C 3.57Å; I95-W215 WeakPolarHBondContact O-CA 3.47Å; I95-Y216 PolarHBondContact N-O 2.64Å; I95-Y216 PolarHBondContact O-N 3.23Å; I95-L218 HydrophobicContact CB-CD2 4.22Å; I95-L218 HydrophobicContact CG2-CD2 3.77Å; I95-L218 HydrophobicContact CG2-CG 4.47Å
96E98.2Very high88.6Confident45 Ų4556.4 Ų56.421%0.2131%0.306CS..EExtended strand (participates in β ladder)trans-103.6125.6172.9-168.5-177.7-128.900110.5K113 T114 A213 R214 W215E96-K113 HydrophobicContact CB-CB 4.16Å; E96-K113 HydrophobicContact CG-CB 4.17Å; E96-K113 HydrophobicContact CG-CG 4.43Å; E96-K113 WeakPolarHBondContact O-CB 3.3Å; E96-K113 PolarHBondContact O-N 3.14Å; E96-K113 WeakPolarHBondContact OE2-CB 3.31Å; E96-T114 HydrophobicContact CB-CG2 4.06Å; E96-T114 PolarHBondContact N-O 2.76Å; E96-A213 HydrophobicContact CG-CB 3.92Å; E96-R214 WeakPolarHBondContact CA-O 3.2Å; E96-W215 HydrophobicContact CB-CD2 3.71Å; E96-W215 HydrophobicContact CB-CE3 3.79Å; E96-W215 HydrophobicContact CB-CG 4.35Å; E96-W215 HydrophobicContact CB-CH2 3.92Å; E96-W215 HydrophobicContact CB-CZ2 3.79Å; E96-W215 HydrophobicContact CB-CZ3 3.89Å; E96-W215 HydrophobicContact CG-CD2 4.21Å; E96-W215 HydrophobicContact CG-CG 4.43Å; E96-W215 HydrophobicContact CG-CZ2 4.35Å; E96-W215 PolarHBondContact OE1-NE1 3.36Å
97F97.7Very high90.1Very high0 Ų052.9 Ų52.90%029%0.291CS..EExtended strand (participates in β ladder)trans-154.3160.817364.5-85000112.3I95 I99 I110 C111 I112 L177 V179 V196 L198 A213 R214 Y216I95-F97 HydrophobicContact CD1-CD1 4.38Å; I95-F97 HydrophobicContact CG1-CD1 4.11Å; I95-F97 HydrophobicContact CG2-CD1 4.07Å; I95-F97 HydrophobicContact CG2-CE1 3.99Å; F97-I99 HydrophobicContact CD2-CG1 4Å; F97-I99 HydrophobicContact CE2-CD1 3.94Å; F97-I99 HydrophobicContact CE2-CG1 3.84Å; F97-I110 HydrophobicContact CD2-CG2 4Å; F97-C111 CarbonylContact C-O 3.58Å; F97-C111 WeakPolarHBondContact CA-O 3.12Å; F97-C111 WeakPolarHBondContact CB-O 3.4Å; F97-I112 HydrophobicContact CB-CD1 3.92Å; F97-I112 HydrophobicContact CG-CD1 4.38Å; F97-L177 HydrophobicContact CE2-CD2 4.27Å; F97-V179 HydrophobicContact CE1-CB 4.44Å; F97-V179 HydrophobicContact CE1-CG1 4.43Å; F97-V179 HydrophobicContact CE1-CG2 4.29Å; F97-V179 HydrophobicContact CE2-CG2 4.04Å; F97-V179 HydrophobicContact CZ-CB 4.42Å; F97-V179 HydrophobicContact CZ-CG2 3.85Å; F97-V196 HydrophobicContact CZ-CG1 4.4Å; F97-L198 HydrophobicContact CE2-CD1 3.86Å; F97-L198 HydrophobicContact CZ-CD1 3.64Å; F97-A213 WeakPolarHBondContact O-CA 3.37Å; F97-R214 PolarHBondContact N-O 3.1Å; F97-R214 VanDerWaalsContact N-O 3.15Å; F97-R214 PolarHBondContact O-N 3.28Å; F97-Y216 AromaticContact CD1-CD2 3.76Å; F97-Y216 HydrophobicContact CD1-CD2 3.76Å; F97-Y216 HydrophobicContact CD1-CE2 4.17Å; F97-Y216 AromaticContact CE1-CD2 3.2Å; F97-Y216 HydrophobicContact CE1-CD2 3.2Å; F97-Y216 AromaticContact CE1-CE2 3.7Å; F97-Y216 HydrophobicContact CE1-CE2 3.7Å; F97-Y216 AromaticContact CE1-CG 3.88Å; F97-Y216 HydrophobicContact CE1-CG 3.88Å; F97-Y216 HydrophobicContact CE2-CD2 4.42Å; F97-Y216 HydrophobicContact CE2-CE2 4.09Å; F97-Y216 AromaticContact CZ-CD2 3.6Å; F97-Y216 HydrophobicContact CZ-CD2 3.6Å; F97-Y216 AromaticContact CZ-CE2 3.65Å; F97-Y216 HydrophobicContact CZ-CE2 3.65Å; F97-Y216 HydrophobicContact CZ-CG 4.23Å
98A95Very high91.4Very high3 Ų349.5 Ų49.53%0.02527%0.273CS..EExtended strand (participates in β ladder)trans-115.9152.5173.100000110.8H100 I110 C111 Q211 A213A98-H100 WeakPolarHBondContact CB-NE2 3.44Å; A98-I110 CarbonylContact O-C 3.52Å; A98-I110 WeakPolarHBondContact O-CA 3.27Å; A98-C111 HydrophobicContact CB-CB 4.24Å; A98-C111 PolarHBondContact N-O 2.78Å; A98-C111 PolarHBondContact O-N 3.08Å; A98-Q211 WeakPolarHBondContact CB-O 3.08Å; A98-A213 HydrophobicContact CB-CB 4.18Å
99I94.9Very high92.5Very high0 Ų046.6 Ų46.60%026%0.256CS..EExtended strand (participates in β ladder)trans-123.9122.4176.3-47.1175.9000108.7F97 L108 E109 L177 L198 L200 W203 F205F97-I99 HydrophobicContact CD2-CG1 4Å; F97-I99 HydrophobicContact CE2-CD1 3.94Å; F97-I99 HydrophobicContact CE2-CG1 3.84Å; I99-L108 HydrophobicContact CG2-CD1 3.58Å; I99-L108 HydrophobicContact CG2-CG 4.28Å; I99-E109 WeakPolarHBondContact CA-O 3.48Å; I99-L177 HydrophobicContact CD1-CD2 3.69Å; I99-L177 HydrophobicContact CG1-CD2 4.11Å; I99-L198 HydrophobicContact CD1-CD1 3.85Å; I99-L200 HydrophobicContact CD1-CD2 4.46Å; I99-W203 HydrophobicContact CB-CH2 4.43Å; I99-W203 HydrophobicContact CB-CZ2 3.68Å; I99-W203 HydrophobicContact CD1-CD2 4.04Å; I99-W203 HydrophobicContact CD1-CE3 3.99Å; I99-W203 HydrophobicContact CD1-CH2 3.75Å; I99-W203 HydrophobicContact CD1-CZ2 3.79Å; I99-W203 HydrophobicContact CD1-CZ3 3.86Å; I99-W203 HydrophobicContact CG1-CH2 4.09Å; I99-W203 HydrophobicContact CG1-CZ2 3.83Å; I99-W203 PolarHBondContact O-NE1 3.44Å; I99-F205 HydrophobicContact CG2-CE1 4.05Å
100H91.8Very high93.4Very high53 Ų5345.6 Ų45.625%0.24525%0.248CC..EExtended strand (participates in β ladder)trans-124.5149.9177.1-53.4-90.5000110.3A98 L108 E109 Q211A98-H100 WeakPolarHBondContact CB-NE2 3.44Å; H100-L108 CarbonylContact O-C 3.59Å; H100-L108 WeakPolarHBondContact O-CA 3.49Å; H100-E109 HydrophobicContact CB-CB 4.42Å; H100-E109 PolarHBondContact N-O 2.96Å; H100-E109 PolarHBondContact O-N 3.01Å; H100-Q211 PolarHBondContact CE1-O 3.37Å; H100-Q211 WeakPolarHBondContact ND1-CB 3.39Å; H100-Q211 PolarHBondContact ND1-OE1 2.84Å; H100-Q211 PolarHBondContact NE2-O 2.74Å
101Y91.9Very high93.9Very high24 Ų2439.2 Ų39.29%0.09422%0.215CC..EExtended strand (participates in β ladder)trans-118.2116.4168.7-172-95.4000110.2V103 C106 L108 V167 P169 L172 F205Y101-V103 HydrophobicContact CD1-CG2 3.92Å; Y101-V103 HydrophobicContact CE1-CG2 4.08Å; Y101-V103 PolarHBondContact O-N 2.96Å; Y101-C106 VanDerWaalsContact OH-CA 3.26Å; Y101-C106 WeakPolarHBondContact OH-CA 3.22Å; Y101-L108 HydrophobicContact CD2-CB 4.14Å; Y101-L108 HydrophobicContact CD2-CD1 4.29Å; Y101-V167 HydrophobicContact CE2-CG1 4.03Å; Y101-V167 VanDerWaalsContact CE2-O 3.25Å; Y101-V167 WeakPolarHBondContact CE2-O 3.49Å; Y101-V167 PolarHBondContact OH-O 3.49Å; Y101-P169 HydrophobicContact CE1-CB 4.11Å; Y101-P169 HydrophobicContact CE1-CG 3.72Å; Y101-P169 WeakPolarHBondContact OH-CD 3.39Å; Y101-P169 VanDerWaalsContact OH-CG 3.3Å; Y101-P169 WeakPolarHBondContact OH-CG 3.41Å; Y101-L172 HydrophobicContact CD1-CD1 4.46Å; Y101-L172 HydrophobicContact CD2-CD1 3.56Å; Y101-L172 HydrophobicContact CD2-CD2 4.25Å; Y101-L172 HydrophobicContact CD2-CG 4.42Å; Y101-L172 HydrophobicContact CE2-CD1 3.78Å; Y101-L172 HydrophobicContact CE2-CD2 4.35Å; Y101-L172 HydrophobicContact CE2-CG 4.37Å; Y101-L172 HydrophobicContact CG-CD1 3.92Å; Y101-F205 VanDerWaalsContact CB-CD1 3.46Å
102C90.1Very high94.1Very high42 Ų4237.5 Ų37.528%0.28421%0.205SC..EExtended strand (participates in β ladder)trans-88.9103.6174.8-176.70000109.4K104 S105 C106 S107C102-K104 VanDerWaalsContact C-N 3.29Å; C102-K104 PolarHBondContact O-N 2.99Å; C102-S105 WeakPolarHBondContact CB-OG 3.45Å; C102-S105 PolarHBondContact O-N 2.93Å; C102-S105 PolarHBondContact SG-OG 2.75Å; C102-C106 WeakPolarHBondContact O-CA 3.41Å; C102-C106 PolarHBondContact O-N 3.18Å; C102-S107 PolarHBondContact N-O 2.91Å; C102-S107 PolarHBondContact O-N 3.12Å; C102-S107 VanDerWaalsContact O-N 3.08Å
103V87.8Confident94.3Very high106 Ų10637.9 Ų37.964%0.64220%0.201SC*.G310 helixtrans-61.6-37.2179.4-178.90000111.8Y101 S105 C106Y101-V103 HydrophobicContact CD1-CG2 3.92Å; Y101-V103 HydrophobicContact CE1-CG2 4.08Å; Y101-V103 PolarHBondContact O-N 2.96Å; V103-S105 VanDerWaalsContact C-N 3.29Å; V103-S105 PolarHBondContact O-N 3.19Å; V103-C106 PolarHBondContact O-N 2.84Å
104K88.7Confident94.3Very high210 Ų21038.3 Ų38.391%0.91320%0.2SC*.G310 helixtrans-62.8-34.9-178.3-66.7-176.2179.3-179.80113C102C102-K104 VanDerWaalsContact C-N 3.29Å; C102-K104 PolarHBondContact O-N 2.99Å
105S88.9Confident94.3Very high50 Ų5035.4 Ų35.435%0.3519%0.186SC..G310 helixtrans-108.410.6-179.355.30000113.2C102 V103 S107 Q166C102-S105 WeakPolarHBondContact CB-OG 3.45Å; C102-S105 PolarHBondContact O-N 2.93Å; C102-S105 PolarHBondContact SG-OG 2.75Å; V103-S105 VanDerWaalsContact C-N 3.29Å; V103-S105 PolarHBondContact O-N 3.19Å; S105-S107 PolarHBondContact O-N 3.48Å; S105-S107 VanDerWaalsContact O-N 3.16Å; S105-S107 PolarHBondContact OG-OG 2.84Å; S105-Q166 PolarHBondContact O-OE1 3.16Å; S105-Q166 VanDerWaalsContact O-OE1 3.04Å
106C90.2Very high94.3Very high53 Ų5338.6 Ų38.636%0.35820%0.2SC..THydrogen-bonded Turntrans42.347.2-174.2-64.80000113.4Y101 C102 V103 V167Y101-C106 VanDerWaalsContact OH-CA 3.26Å; Y101-C106 WeakPolarHBondContact OH-CA 3.22Å; C102-C106 WeakPolarHBondContact O-CA 3.41Å; C102-C106 PolarHBondContact O-N 3.18Å; V103-C106 PolarHBondContact O-N 2.84Å; C106-V167 CarbonylContact C-O 3.53Å; C106-V167 CarbonylContact O-C 3.49Å; C106-V167 PolarHBondContact O-N 2.85Å
107S92Very high94.3Very high2 Ų241.3 Ų41.31%0.01422%0.216CC..EExtended strand (participates in β ladder)trans-129.6132.7-170.665.30000114.2C102 S105 Y165C102-S107 PolarHBondContact N-O 2.91Å; C102-S107 PolarHBondContact O-N 3.12Å; C102-S107 VanDerWaalsContact O-N 3.08Å; S105-S107 PolarHBondContact O-N 3.48Å; S105-S107 VanDerWaalsContact O-N 3.16Å; S105-S107 PolarHBondContact OG-OG 2.84Å; S107-Y165 CarbonylContact C-O 3.26Å; S107-Y165 WeakPolarHBondContact CA-O 3.25Å; S107-Y165 WeakPolarHBondContact CB-O 3.48Å
108L93.7Very high94.3Very high0 Ų041.5 Ų41.50%022%0.217CC..EExtended strand (participates in β ladder)trans-86.4122.5168.9-175.575.8000109.3I99 H100 Y101 I110 L136 K164 Y165 V167 L172 L200 F205I99-L108 HydrophobicContact CG2-CD1 3.58Å; I99-L108 HydrophobicContact CG2-CG 4.28Å; H100-L108 CarbonylContact O-C 3.59Å; H100-L108 WeakPolarHBondContact O-CA 3.49Å; Y101-L108 HydrophobicContact CD2-CB 4.14Å; Y101-L108 HydrophobicContact CD2-CD1 4.29Å; L108-I110 HydrophobicContact CD2-CD1 4.05Å; L108-I110 HydrophobicContact CG-CD1 3.93Å; L108-L136 HydrophobicContact CD2-CD1 4.05Å; L108-K164 WeakPolarHBondContact O-CA 3.26Å; L108-Y165 PolarHBondContact N-O 2.87Å; L108-Y165 PolarHBondContact O-N 2.84Å; L108-V167 HydrophobicContact CB-CG1 3.69Å; L108-L172 HydrophobicContact CB-CD2 4.43Å; L108-L172 HydrophobicContact CD1-CD2 4.11Å; L108-L172 HydrophobicContact CD2-CD2 4.31Å; L108-L200 HydrophobicContact CD2-CD1 3.65Å; L108-F205 HydrophobicContact CD1-CE1 3.5Å; L108-F205 HydrophobicContact CD1-CZ 3.89Å
109E94.8Very high94.4Very high38 Ų3841.9 Ų41.918%0.17822%0.22CC..EExtended strand (participates in β ladder)trans-112.9124.7-178-54.1-162.7167.900110.3I99 H100 T162 K164I99-E109 WeakPolarHBondContact CA-O 3.48Å; H100-E109 HydrophobicContact CB-CB 4.42Å; H100-E109 PolarHBondContact N-O 2.96Å; H100-E109 PolarHBondContact O-N 3.01Å; E109-T162 HydrophobicContact CB-CG2 3.84Å; E109-T162 HydrophobicContact CG-CG2 4.49Å; E109-K164 HydrophobicContact CG-CD 4.13Å; E109-K164 HydrophobicContact CG-CG 4.08Å; E109-K164 WeakPolarHBondContact OE1-CE 3.35Å; E109-K164 IonicContact OE1-NZ 2.79Å; E109-K164 PolarHBondContact OE1-NZ 2.92Å; E109-K164 IonicContact OE2-NZ 3.05Å
110I96.5Very high94.4Very high0 Ų044.5 Ų44.50%023%0.231CC..EExtended strand (participates in β ladder)trans-113.2104.5-179.2-56.775.8000106.9F97 A98 L108 I112 T162 L163 Y165 L177F97-I110 HydrophobicContact CD2-CG2 4Å; A98-I110 CarbonylContact O-C 3.52Å; A98-I110 WeakPolarHBondContact O-CA 3.27Å; L108-I110 HydrophobicContact CD2-CD1 4.05Å; L108-I110 HydrophobicContact CG-CD1 3.93Å; I110-I112 HydrophobicContact CG2-CD1 3.63Å; I110-I112 HydrophobicContact CG2-CG1 4.43Å; I110-I112 PolarHBondContact O-N 2.86Å; I110-T162 WeakPolarHBondContact O-CA 3.35Å; I110-L163 WeakPolarHBondContact CD1-O 3.47Å; I110-L163 PolarHBondContact N-O 2.8Å; I110-L163 PolarHBondContact O-N 3.14Å; I110-Y165 HydrophobicContact CD1-CD2 3.47Å; I110-Y165 VanDerWaalsContact CD1-CD2 3.47Å; I110-Y165 HydrophobicContact CD1-CE2 3.68Å; I110-L177 HydrophobicContact CD1-CD1 4.32Å; I110-L177 HydrophobicContact CG1-CD1 3.96Å; I110-L177 HydrophobicContact CG1-CD2 3.72Å; I110-L177 HydrophobicContact CG2-CD2 4.29Å
111C96.8Very high94.4Very high16 Ų1642.3 Ų42.311%0.10822%0.222CC..EExtended strand (participates in β ladder)trans-88.799.5-179.7-1700000109.4F97 A98 K113F97-C111 CarbonylContact C-O 3.58Å; F97-C111 WeakPolarHBondContact CA-O 3.12Å; F97-C111 WeakPolarHBondContact CB-O 3.4Å; A98-C111 HydrophobicContact CB-CB 4.24Å; A98-C111 PolarHBondContact N-O 2.78Å; A98-C111 PolarHBondContact O-N 3.08Å; C111-K113 PolarHBondContact O-N 2.87Å; C111-K113 WeakPolarHBondContact SG-CE 3.43Å; C111-K113 PolarHBondContact SG-NZ 3.19Å; C111-K113 VanDerWaalsContact SG-NZ 3.38Å
112I98.3Very high94.5Very high0 Ų042.1 Ų42.10%022%0.222CC..EExtended strand (participates in β ladder)trans-79.3114.2177.5-54.1-58.9000108.4I95 F97 I110 V132 T134 T148 F159 E160 E161 L163 V179I95-I112 HydrophobicContact CD1-CG2 4.37Å; F97-I112 HydrophobicContact CB-CD1 3.92Å; F97-I112 HydrophobicContact CG-CD1 4.38Å; I110-I112 HydrophobicContact CG2-CD1 3.63Å; I110-I112 HydrophobicContact CG2-CG1 4.43Å; I110-I112 PolarHBondContact O-N 2.86Å; I112-V132 HydrophobicContact CD1-CG1 4.02Å; I112-V132 HydrophobicContact CG1-CG1 4.33Å; I112-V132 HydrophobicContact CG2-CB 4.26Å; I112-V132 HydrophobicContact CG2-CG2 3.82Å; I112-T134 HydrophobicContact CD1-CG2 4.47Å; I112-T148 HydrophobicContact CB-CG2 4.11Å; I112-T148 HydrophobicContact CG1-CG2 4.05Å; I112-T148 HydrophobicContact CG2-CG2 4.16Å; I112-F159 HydrophobicContact CG2-CB 3.98Å; I112-F159 HydrophobicContact CG2-CD2 3.71Å; I112-F159 HydrophobicContact CG2-CE2 4.5Å; I112-F159 HydrophobicContact CG2-CG 4.03Å; I112-E160 WeakPolarHBondContact O-CA 3.48Å; I112-E160 PolarHBondContact O-N 3.01Å; I112-E160 VanDerWaalsContact O-N 3.09Å; I112-E161 PolarHBondContact N-O 2.87Å; I112-E161 PolarHBondContact O-N 3.13Å; I112-E161 VanDerWaalsContact O-N 3.08Å; I112-L163 HydrophobicContact CG1-CD1 4.09Å; I112-L163 HydrophobicContact CG1-CG 4.35Å; I112-V179 HydrophobicContact CD1-CG1 4.1Å
113K98.1Very high94.4Very high74 Ų7446.4 Ų46.432%0.32224%0.238SC..EExtended strand (participates in β ladder)trans-89.5-75.9-176.9-63.1-60-168.9179.50111E96 C111 F159 E160 A213E96-K113 HydrophobicContact CB-CB 4.16Å; E96-K113 HydrophobicContact CG-CB 4.17Å; E96-K113 HydrophobicContact CG-CG 4.43Å; E96-K113 WeakPolarHBondContact O-CB 3.3Å; E96-K113 PolarHBondContact O-N 3.14Å; E96-K113 WeakPolarHBondContact OE2-CB 3.31Å; C111-K113 PolarHBondContact O-N 2.87Å; C111-K113 WeakPolarHBondContact SG-CE 3.43Å; C111-K113 PolarHBondContact SG-NZ 3.19Å; C111-K113 VanDerWaalsContact SG-NZ 3.38Å; K113-F159 PolarHBondContact O-N 3.43Å; K113-E160 PolarHBondContact O-N 3.21Å; K113-A213 HydrophobicContact CG-CB 3.93Å
114T98.5Very high94.6Very high27 Ų2751.6 Ų51.617%0.16625%0.252CS..EExtended strand (participates in β ladder)trans-150.8163.4-173.4-178.10000110.7E96 P157 W215E96-T114 HydrophobicContact CB-CG2 4.06Å; E96-T114 PolarHBondContact N-O 2.76Å; T114-P157 CarbonylContact C-O 3.56Å; T114-P157 WeakPolarHBondContact CA-O 3.38Å; T114-P157 WeakPolarHBondContact CB-O 3.38Å; T114-P157 PolarHBondContact OG1-O 2.85Å; T114-W215 HydrophobicContact CG2-CH2 3.48Å; T114-W215 VanDerWaalsContact CG2-CH2 3.48Å; T114-W215 HydrophobicContact CG2-CZ2 3.74Å; T114-W215 HydrophobicContact CG2-CZ3 4.44Å
115C98.6Very high94.8Very high0 Ų047.3 Ų47.30%023%0.233CC..EExtended strand (participates in β ladder)trans-118.7161.9162.3-56.30000109.4E94 L118 D156 P157E94-C115 CarbonylContact O-C 3.58Å; E94-C115 VanDerWaalsContact O-CA 3.23Å; E94-C115 WeakPolarHBondContact O-CA 3.32Å; E94-C115 WeakPolarHBondContact O-CB 3.42Å; C115-L118 HydrophobicContact CB-CD1 3.87Å; C115-L118 HydrophobicContact CB-CD2 3.86Å; C115-L118 HydrophobicContact CB-CG 3.89Å; C115-D156 CarbonylContact O-C 3.59Å; C115-D156 WeakPolarHBondContact O-CA 3.35Å; C115-P157 HydrophobicContact CB-CG 3.77Å; C115-P157 PolarHBondContact N-O 3.24Å
116K98.1Very high95.1Very high67 Ų6752.9 Ų52.929%0.29125%0.247SC..EExtended strand (participates in β ladder)trans-138.3152.4170.768.2-173.1174.2172.70112.3G93 E94 L118 D156 W215G93-K116 CarbonylContact C-O 3.49Å; G93-K116 WeakPolarHBondContact CA-O 3.45Å; E94-K116 HydrophobicContact CB-CG 4.4Å; E94-K116 PolarHBondContact N-O 2.81Å; E94-K116 PolarHBondContact O-N 3.29Å; E94-K116 WeakPolarHBondContact OE2-CE 3.34Å; E94-K116 IonicContact OE2-NZ 2.84Å; E94-K116 PolarHBondContact OE2-NZ 2.69Å; K116-L118 VanDerWaalsContact C-N 3.27Å; K116-L118 PolarHBondContact O-N 2.88Å; K116-D156 WeakPolarHBondContact CA-OD1 3.34Å; K116-D156 WeakPolarHBondContact CB-OD1 3.36Å; K116-W215 HydrophobicContact CB-CH2 4.14Å; K116-W215 HydrophobicContact CB-CZ3 4.21Å; K116-W215 HydrophobicContact CD-CE3 4.19Å; K116-W215 HydrophobicContact CD-CH2 3.71Å; K116-W215 HydrophobicContact CD-CZ2 4.2Å; K116-W215 HydrophobicContact CD-CZ3 3.74Å; K116-W215 HydrophobicContact CG-CE3 4.31Å; K116-W215 HydrophobicContact CG-CH2 3.86Å; K116-W215 HydrophobicContact CG-CZ3 3.6Å
117N97.6Very high95.3Very high103 Ų10353.6 Ų53.655%0.55124%0.244SC*.SBendtrans55.636175.4-59.2-39.9000114.2T92 G93 D156T92-N117 CarbonylContact C-O 3.56Å; T92-N117 WeakPolarHBondContact CB-O 3.33Å; T92-N117 PolarHBondContact OG1-O 2.98Å; G93-N117 WeakPolarHBondContact CA-O 3.49Å; G93-N117 PolarHBondContact N-O 2.87Å; N117-D156 PolarHBondContact N-OD1 3.39Å
118L97.9Very high95.5Very high4 Ų453.6 Ų53.62%0.02124%0.244CC..PPolyproline II helixtrans-63.8154.7176.7-64.2-179.4000111.7C115 K116 P130 L155 P157 V181 L193 L218C115-L118 HydrophobicContact CB-CD1 3.87Å; C115-L118 HydrophobicContact CB-CD2 3.86Å; C115-L118 HydrophobicContact CB-CG 3.89Å; K116-L118 VanDerWaalsContact C-N 3.27Å; K116-L118 PolarHBondContact O-N 2.88Å; L118-P130 HydrophobicContact CD1-CB 3.6Å; L118-P130 HydrophobicContact CD1-CG 4.01Å; L118-L155 HydrophobicContact CB-CB 4.46Å; L118-L155 WeakPolarHBondContact CB-O 3.18Å; L118-L155 VanDerWaalsContact CG-O 3.25Å; L118-L155 WeakPolarHBondContact CG-O 3.38Å; L118-L155 PolarHBondContact N-O 3.47Å; L118-L155 VanDerWaalsContact N-O 3.15Å; L118-L155 WeakPolarHBondContact O-CD2 3.41Å; L118-P157 HydrophobicContact CD1-CG 3.81Å; L118-V181 HydrophobicContact CD1-CG1 3.99Å; L118-V181 HydrophobicContact CD2-CG1 4.13Å; L118-L193 HydrophobicContact CD1-CD1 4.5Å; L118-L218 HydrophobicContact CD2-CD1 3.32Å
119A96.3Very high95.7Very high11 Ų1154.2 Ų54.29%0.09125%0.247CC..PPolyproline II helixtrans-72.9156.1170.600000111.4A89 N90 T92 G121 C128 L193A89-A119 HydrophobicContact CB-CB 4.06Å; N90-A119 WeakPolarHBondContact O-CB 3.24Å; T92-A119 PolarHBondContact OG1-N 2.9Å; A119-G121 PolarHBondContact O-N 2.84Å; A119-C128 PolarHBondContact O-SG 3.03Å; A119-L193 HydrophobicContact CB-CD2 4.44Å
120Y95.6Very high95.9Very high55 Ų5552.4 Ų52.422%0.21624%0.239CC..PPolyproline II helixtrans-69.5130.2168.2-65-74.6000109.8E122 R126 L155Y120-E122 VanDerWaalsContact C-N 3.34Å; Y120-R126 VanDerWaalsContact CD1-CA 3.47Å; Y120-R126 HydrophobicContact CD1-CB 4.09Å; Y120-R126 VanDerWaalsContact CD1-O 3.3Å; Y120-R126 WeakPolarHBondContact CD1-O 3.05Å; Y120-R126 HydrophobicContact CE1-CB 3.75Å; Y120-R126 WeakPolarHBondContact CE1-O 3.41Å; Y120-R126 PolarHBondContact OH-NE 2.85Å; Y120-R126 PolarHBondContact OH-NH2 3.32Å; Y120-L155 HydrophobicContact CD1-CD2 3.82Å; Y120-L155 HydrophobicContact CE1-CD1 3.97Å; Y120-L155 HydrophobicContact CE1-CD2 3.9Å; Y120-L155 HydrophobicContact CE1-CG 4.2Å; Y120-L155 HydrophobicContact CE2-CD1 4.2Å; Y120-L155 HydrophobicContact CG-CD2 4.38Å
121G92.7Very high96Very high7 Ų753 Ų537%0.07224%0.241CC..SBendtrans-78.6-22171.800000113.2A119 K127 V191A119-G121 PolarHBondContact O-N 2.84Å; G121-K127 PolarHBondContact N-O 3.25Å; G121-V191 WeakPolarHBondContact O-CG2 3.28Å
122E92.5Very high96.1Very high19 Ų1952.2 Ų52.29%0.08924%0.236CC..BIsolated β-bridgetrans-126.287.6170-69-179-118.300109.3Y120 K124 K125 R126 K127 H183 G185 T186Y120-E122 VanDerWaalsContact C-N 3.34Å; E122-K124 PolarHBondContact O-N 2.91Å; E122-K125 HydrophobicContact CB-CB 4.29Å; E122-K125 CarbonylContact O-C 3.55Å; E122-K125 PolarHBondContact O-N 2.86Å; E122-K125 VanDerWaalsContact O-N 3.1Å; E122-K125 VanDerWaalsContact OE2-CD 3.29Å; E122-K125 WeakPolarHBondContact OE2-CD 3.48Å; E122-K125 WeakPolarHBondContact OE2-CE 3.4Å; E122-K125 IonicContact OE2-NZ 2.75Å; E122-K125 PolarHBondContact OE2-NZ 3.44Å; E122-R126 PolarHBondContact O-N 3.18Å; E122-K127 HydrophobicContact CB-CB 4.27Å; E122-K127 PolarHBondContact N-O 2.94Å; E122-K127 VanDerWaalsContact N-O 3.08Å; E122-K127 PolarHBondContact O-N 3.32Å; E122-H183 IonicContact OE1-NE2 2.64Å; E122-H183 PolarHBondContact OE1-NE2 3.03Å; E122-G185 VanDerWaalsContact OE1-CA 3.32Å; E122-G185 WeakPolarHBondContact OE1-CA 3.45Å; E122-T186 PolarHBondContact OE1-N 2.97Å
123E89.9Confident96Very high132 Ų13252.8 Ų52.862%0.61724%0.238SC*.G310 helixtrans-53.4-49.4-174.9-166.263-156.700112.6K125 R126E123-K125 PolarHBondContact O-N 3.25Å; E123-K125 VanDerWaalsContact O-N 3.14Å; E123-R126 PolarHBondContact O-N 3.17Å
124K91.7Very high96Very high215 Ų21549.2 Ų49.294%0.93522%0.223SC*.G310 helixtrans-58.6-31.5-179.2-64.8-174.5179.4-177.60113.6E122E122-K124 PolarHBondContact O-N 2.91Å
125K92.7Very high95.9Very high121 Ų12149.4 Ų49.453%0.52622%0.22SC..G310 helixtrans-100.2-1.5-179.4-60.2-171.9-164.3147.20112.6E122 E123 K127E122-K125 HydrophobicContact CB-CB 4.29Å; E122-K125 CarbonylContact O-C 3.55Å; E122-K125 PolarHBondContact O-N 2.86Å; E122-K125 VanDerWaalsContact O-N 3.1Å; E122-K125 VanDerWaalsContact OE2-CD 3.29Å; E122-K125 WeakPolarHBondContact OE2-CD 3.48Å; E122-K125 WeakPolarHBondContact OE2-CE 3.4Å; E122-K125 IonicContact OE2-NZ 2.75Å; E122-K125 PolarHBondContact OE2-NZ 3.44Å; E123-K125 PolarHBondContact O-N 3.25Å; E123-K125 VanDerWaalsContact O-N 3.14Å; K125-K127 HydrophobicContact CB-CB 4.21Å; K125-K127 PolarHBondContact O-N 3.19Å
126R94.1Very high95.6Very high166 Ų16650.1 Ų50.163%0.62622%0.224SC*.THydrogen-bonded Turntrans45.346-171-61.6-172.763.6155.4-0.5112.1Y120 E122 E123Y120-R126 VanDerWaalsContact CD1-CA 3.47Å; Y120-R126 HydrophobicContact CD1-CB 4.09Å; Y120-R126 VanDerWaalsContact CD1-O 3.3Å; Y120-R126 WeakPolarHBondContact CD1-O 3.05Å; Y120-R126 HydrophobicContact CE1-CB 3.75Å; Y120-R126 WeakPolarHBondContact CE1-O 3.41Å; Y120-R126 PolarHBondContact OH-NE 2.85Å; Y120-R126 PolarHBondContact OH-NH2 3.32Å; E122-R126 PolarHBondContact O-N 3.18Å; E123-R126 PolarHBondContact O-N 3.17Å
127K94.8Very high95.2Very high69 Ų6947.2 Ų47.230%0.321%0.212SC..BIsolated β-bridgetrans-113.2135.6-175.7-166-178.8-169.2-176.80111.3G121 E122 K125 N129 H183G121-K127 PolarHBondContact N-O 3.25Å; E122-K127 HydrophobicContact CB-CB 4.27Å; E122-K127 PolarHBondContact N-O 2.94Å; E122-K127 VanDerWaalsContact N-O 3.08Å; E122-K127 PolarHBondContact O-N 3.32Å; K125-K127 HydrophobicContact CB-CB 4.21Å; K125-K127 PolarHBondContact O-N 3.19Å; K127-N129 WeakPolarHBondContact CE-ND2 3.45Å; K127-N129 WeakPolarHBondContact CE-OD1 3.17Å; K127-H183 PolarHBondContact O-CE1 3Å
128C96.7Very high94.7Very high1 Ų143.6 Ų43.61%0.00719%0.194CC..  trans-135.5122.5168.9-162.60000111.5A119 P130 N153 T154 L155 H183A119-C128 PolarHBondContact O-SG 3.03Å; C128-P130 VanDerWaalsContact C-CD 3.46Å; C128-P130 WeakPolarHBondContact O-CD 3.5Å; C128-N153 CarbonylContact O-C 3.42Å; C128-N153 WeakPolarHBondContact O-CA 3.13Å; C128-N153 PolarHBondContact O-N 3.21Å; C128-T154 WeakPolarHBondContact CB-O 3.21Å; C128-T154 PolarHBondContact O-N 2.91Å; C128-L155 HydrophobicContact CB-CD2 3.49Å; C128-L155 VanDerWaalsContact CB-CD2 3.49Å; C128-H183 WeakPolarHBondContact CA-ND1 3.47Å
129N97.7Very high94Very high14 Ų1444.4 Ų44.48%0.07520%0.199CC..  trans-116.779.3170.7-44.7-58.3000108.5K127 V150 Q151 N153 H183 L184K127-N129 WeakPolarHBondContact CE-ND2 3.45Å; K127-N129 WeakPolarHBondContact CE-OD1 3.17Å; N129-V150 HydrophobicContact CB-CG1 3.75Å; N129-Q151 CarbonylContact C-O 3.56Å; N129-Q151 WeakPolarHBondContact CA-O 3.43Å; N129-Q151 WeakPolarHBondContact CB-O 3.24Å; N129-N153 PolarHBondContact OD1-N 3.41Å; N129-H183 PolarHBondContact N-CE1 3.32Å; N129-H183 VanDerWaalsContact N-CE1 3.31Å; N129-H183 PolarHBondContact N-ND1 2.64Å; N129-L184 WeakPolarHBondContact CB-O 3.34Å; N129-L184 PolarHBondContact ND2-O 3.29Å; N129-L184 PolarHBondContact O-N 3.45Å
130P98.3Very high93.4Very high0 Ų047.4 Ų47.40%021%0.207CC..EExtended strand (participates in β ladder)trans-74.9148.1-17030.3-37000112.9L118 C128 Q151 T154 P157 F159 V181 W182 L193L118-P130 HydrophobicContact CD1-CB 3.6Å; L118-P130 HydrophobicContact CD1-CG 4.01Å; C128-P130 VanDerWaalsContact C-CD 3.46Å; C128-P130 WeakPolarHBondContact O-CD 3.5Å; P130-Q151 VanDerWaalsContact CD-O 3.23Å; P130-Q151 WeakPolarHBondContact CD-O 3.33Å; P130-Q151 HydrophobicContact CG-CB 4.27Å; P130-Q151 PolarHBondContact O-N 3.45Å; P130-T154 WeakPolarHBondContact CD-O 3.28Å; P130-T154 HydrophobicContact CG-CG2 4.11Å; P130-P157 HydrophobicContact CB-CB 4.49Å; P130-P157 HydrophobicContact CB-CG 4Å; P130-P157 HydrophobicContact CG-CB 3.58Å; P130-P157 HydrophobicContact CG-CG 3.46Å; P130-P157 VanDerWaalsContact CG-CG 3.46Å; P130-F159 HydrophobicContact CB-CZ 4.4Å; P130-V181 HydrophobicContact CB-CG1 4.34Å; P130-W182 CarbonylContact C-O 3.56Å; P130-W182 VanDerWaalsContact CA-O 3.23Å; P130-W182 WeakPolarHBondContact CA-O 3.48Å; P130-L193 HydrophobicContact CB-CD1 4.46Å
131Y98.5Very high92.7Very high11 Ų1146.2 Ų46.24%0.04321%0.207CC..EExtended strand (participates in β ladder)trans-148.8155.3166.267.6-79000110K133 V150 W182 L184 R190Y131-K133 HydrophobicContact CD2-CG 4.13Å; Y131-K133 HydrophobicContact CE2-CD 4.2Å; Y131-K133 HydrophobicContact CE2-CG 3.67Å; Y131-K133 PolarHBondContact OH-NZ 2.86Å; Y131-V150 HydrophobicContact CD1-CG2 4.04Å; Y131-V150 HydrophobicContact CG-CG2 4.1Å; Y131-W182 HydrophobicContact CD1-CB 3.96Å; Y131-W182 WeakPolarHBondContact CD1-O 3.3Å; Y131-W182 HydrophobicContact CD2-CB 4.39Å; Y131-W182 HydrophobicContact CE1-CB 3.4Å; Y131-W182 HydrophobicContact CE1-CG 4.47Å; Y131-W182 HydrophobicContact CE2-CB 3.9Å; Y131-W182 HydrophobicContact CE2-CG 4.24Å; Y131-W182 HydrophobicContact CG-CB 4.42Å; Y131-W182 AromaticContact CZ-CG 3.99Å; Y131-W182 PolarHBondContact N-O 2.83Å; Y131-W182 PolarHBondContact O-N 3.42Å; Y131-L184 HydrophobicContact CD1-CB 4.25Å; Y131-L184 HydrophobicContact CE1-CB 4.01Å; Y131-R190 WeakPolarHBondContact OH-CD 3.28Å; Y131-R190 WeakPolarHBondContact OH-CG 3.45Å
132V98.6Very high92.1Very high0 Ų049.6 Ų49.60%023%0.23CC..EExtended strand (participates in β ladder)trans-102.9138.9-179.4-176.70000109.5I95 I112 T134 K147 T148 F159 V179 S180 V181I95-V132 HydrophobicContact CD1-CG1 4.11Å; I95-V132 HydrophobicContact CD1-CG2 3.83Å; I112-V132 HydrophobicContact CD1-CG1 4.02Å; I112-V132 HydrophobicContact CG1-CG1 4.33Å; I112-V132 HydrophobicContact CG2-CB 4.26Å; I112-V132 HydrophobicContact CG2-CG2 3.82Å; V132-T134 HydrophobicContact CG1-CG2 4.35Å; V132-K147 CarbonylContact O-C 3.58Å; V132-K147 WeakPolarHBondContact O-CA 3.27Å; V132-K147 WeakPolarHBondContact O-CB 3.45Å; V132-T148 HydrophobicContact CB-CG2 3.97Å; V132-T148 PolarHBondContact N-OG1 3.14Å; V132-T148 PolarHBondContact O-N 3.42Å; V132-F159 HydrophobicContact CG2-CD2 4.22Å; V132-F159 HydrophobicContact CG2-CE2 3.73Å; V132-F159 HydrophobicContact CG2-CZ 3.95Å; V132-V179 HydrophobicContact CG1-CG1 3.54Å; V132-S180 CarbonylContact C-O 3.53Å; V132-S180 WeakPolarHBondContact CA-O 3.49Å; V132-V181 HydrophobicContact CG2-CG2 4.32Å
133K97.8Very high91.4Very high12 Ų1253.3 Ų53.35%0.05225%0.247CC..EExtended strand (participates in β ladder)trans-116.1139.6165.8-62.7-172.7-174.189.70109.4Y131 K145 R146 K147 S180Y131-K133 HydrophobicContact CD2-CG 4.13Å; Y131-K133 HydrophobicContact CE2-CD 4.2Å; Y131-K133 HydrophobicContact CE2-CG 3.67Å; Y131-K133 PolarHBondContact OH-NZ 2.86Å; K133-K145 HydrophobicContact CD-CD 3.85Å; K133-K145 HydrophobicContact CG-CD 4.39Å; K133-R146 WeakPolarHBondContact CA-O 3.47Å; K133-K147 HydrophobicContact CG-CB 4.37Å; K133-S180 PolarHBondContact N-O 3.15Å; K133-S180 PolarHBondContact O-N 3.31Å; K133-S180 PolarHBondContact O-OG 3.2Å; K133-S180 VanDerWaalsContact O-OG 3.11Å
134T97.6Very high91.1Very high0 Ų047.2 Ų47.20%022%0.22CC..EExtended strand (participates in β ladder)trans-119.4149.5170.763.30000111.5I112 V132 R146 L163 Y165 Q178 V179I112-T134 HydrophobicContact CD1-CG2 4.47Å; V132-T134 HydrophobicContact CG1-CG2 4.35Å; T134-R146 PolarHBondContact N-O 2.82Å; T134-R146 PolarHBondContact O-N 2.65Å; T134-R146 VanDerWaalsContact O-N 3.08Å; T134-R146 WeakPolarHBondContact OG1-CB 3.36Å; T134-L163 HydrophobicContact CG2-CD1 3.7Å; T134-Y165 WeakPolarHBondContact CB-OH 3.26Å; T134-Y165 PolarHBondContact O-OH 2.85Å; T134-Y165 PolarHBondContact OG1-OH 2.88Å; T134-Q178 CarbonylContact C-O 3.59Å; T134-Q178 WeakPolarHBondContact CA-O 3.02Å; T134-V179 HydrophobicContact CG2-CB 4.35Å; T134-V179 HydrophobicContact CG2-CG1 4.08Å; T134-V179 HydrophobicContact CG2-CG2 4.04Å
135Y95.3Very high91.2Very high30 Ų3039.8 Ų39.812%0.11819%0.188CC..EExtended strand (participates in β ladder)trans-134.7143169.8-71.6-84.6000110D139 R140 K145 Y165 Q178Y135-D139 WeakPolarHBondContact CD1-O 3.38Å; Y135-R140 VanDerWaalsContact CE1-O 3.3Å; Y135-R140 WeakPolarHBondContact CE1-O 3.35Å; Y135-K145 HydrophobicContact CD1-CB 4.25Å; Y135-K145 HydrophobicContact CE1-CB 3.57Å; Y135-K145 HydrophobicContact CE1-CG 4.15Å; Y135-K145 HydrophobicContact CE2-CD 4.45Å; Y135-K145 HydrophobicContact CE2-CG 4.31Å; Y135-Y165 WeakPolarHBondContact CA-OH 3.25Å; Y135-Y165 PolarHBondContact N-OH 3.22Å; Y135-Q178 PolarHBondContact N-O 2.95Å; Y135-Q178 PolarHBondContact O-N 2.96Å
136L93.7Very high91.4Very high15 Ų1536.4 Ų36.48%0.07917%0.172CC..EExtended strand (participates in β ladder)trans-9992.7168.2-170.465.8000107.7L108 D139 Y165 V167 R175 L200L108-L136 HydrophobicContact CD2-CD1 4.05Å; L136-D139 PolarHBondContact O-N 3.32Å; L136-D139 VanDerWaalsContact O-N 3.11Å; L136-Y165 HydrophobicContact CB-CD1 3.82Å; L136-Y165 HydrophobicContact CB-CE1 3.75Å; L136-Y165 HydrophobicContact CB-CG 4.42Å; L136-Y165 HydrophobicContact CD2-CD1 4.36Å; L136-V167 HydrophobicContact CD2-CB 4.12Å; L136-V167 HydrophobicContact CD2-CG1 4.3Å; L136-V167 HydrophobicContact CD2-CG2 4.04Å; L136-R175 HydrophobicContact CD1-CB 3.65Å; L136-R175 HydrophobicContact CD1-CG 4.23Å; L136-R175 HydrophobicContact CD2-CG 4.21Å; L136-R175 HydrophobicContact CG-CB 3.98Å; L136-R175 HydrophobicContact CG-CG 4.05Å; L136-L200 HydrophobicContact CD1-CD1 3.51Å
137L90Very high91.5Very high6 Ų635.1 Ų35.13%0.03117%0.171CC..EExtended strand (participates in β ladder)trans-63.4140.7-175.8-62.1-178000110.5R140 R175 R176 Q178L137-R140 HydrophobicContact CD2-CG 3.54Å; L137-R175 WeakPolarHBondContact O-CD 3.45Å; L137-R176 HydrophobicContact CB-CB 4.23Å; L137-R176 WeakPolarHBondContact CB-O 3.17Å; L137-R176 HydrophobicContact CD1-CB 4.44Å; L137-R176 PolarHBondContact N-O 3.39Å; L137-R176 PolarHBondContact O-N 3.21Å; L137-Q178 HydrophobicContact CD1-CB 4.04Å; L137-Q178 HydrophobicContact CG-CB 4.13Å
138P86.7Confident91.7Very high28 Ų2832.1 Ų32.118%0.18216%0.158CC..THydrogen-bonded Turncis-87.5-216.632.2-32.8000116R140 N233P138-R140 PolarHBondContact O-N 3.34Å; P138-N233 WeakPolarHBondContact CG-OD1 3.41Å
139D83Confident91.8Very high21 Ų2141.2 Ų41.211%0.11219%0.192CC..  trans-71.698.3-177.8-172.52.5000112Y135 L136 S141 P276 R348Y135-D139 WeakPolarHBondContact CD1-O 3.38Å; L136-D139 PolarHBondContact O-N 3.32Å; L136-D139 VanDerWaalsContact O-N 3.11Å; D139-S141 WeakPolarHBondContact OD1-CA 3.47Å; D139-S141 WeakPolarHBondContact OD1-CB 3.35Å; D139-S141 PolarHBondContact OD1-N 2.97Å; D139-S141 PolarHBondContact OD1-OG 3.16Å; D139-S141 PolarHBondContact OD2-OG 2.87Å; D139-P276 HydrophobicContact CB-CB 4.38Å; D139-R348 IonicContact OD1-NH1 3.81Å; D139-R348 PolarHBondContact OD1-NH1 3.18Å; D139-R348 IonicContact OD2-CZ 2.88Å; D139-R348 IonicContact OD2-NH1 3.37Å; D139-R348 PolarHBondContact OD2-NH1 2.96Å
140R84.4Confident91.8Very high73 Ų7343.1 Ų43.128%0.27520%0.204SC..  trans-95.26.3172-63.8-170.1177172.31.4113.7E82 Y135 L137 P138 E226E82-R140 WeakPolarHBondContact OE1-CD 3.05Å; Y135-R140 VanDerWaalsContact CE1-O 3.3Å; Y135-R140 WeakPolarHBondContact CE1-O 3.35Å; L137-R140 HydrophobicContact CD2-CG 3.54Å; P138-R140 PolarHBondContact O-N 3.34Å; R140-E226 IonicContact NH2-OE2 2.69Å
141S79.6Confident91.8Very high30 Ų3046.3 Ų46.321%0.2122%0.219CC..SBendtrans-62.3158.7-178.573.80000112.1D139 Q143 G144 K145 R348D139-S141 WeakPolarHBondContact OD1-CA 3.47Å; D139-S141 WeakPolarHBondContact OD1-CB 3.35Å; D139-S141 PolarHBondContact OD1-N 2.97Å; D139-S141 PolarHBondContact OD1-OG 3.16Å; D139-S141 PolarHBondContact OD2-OG 2.87Å; S141-Q143 PolarHBondContact O-N 3.21Å; S141-Q143 VanDerWaalsContact O-N 3.14Å; S141-G144 PolarHBondContact O-N 3.22Å; S141-G144 VanDerWaalsContact O-N 3.09Å; S141-G144 PolarHBondContact OG-N 2.97Å; S141-K145 PolarHBondContact O-N 2.87Å; S141-R348 PolarHBondContact OG-NH1 3.23Å; S141-R348 VanDerWaalsContact OG-NH1 3.09Å
142S79.4Confident91.7Very high79 Ų7954 Ų5455%0.55225%0.253SS*.THydrogen-bonded Turntrans-57.4-28.7175.656.10000113.1
143Q78.9Confident91.6Very high96 Ų9659.2 Ų59.245%0.44928%0.281SS..THydrogen-bonded Turntrans-78.6-32178.2-58.5-60-29.300112.8S141 K145 R146S141-Q143 PolarHBondContact O-N 3.21Å; S141-Q143 VanDerWaalsContact O-N 3.14Å; Q143-K145 VanDerWaalsContact C-N 3.29Å; Q143-R146 PolarHBondContact O-NH1 2.86Å
144G84Confident91.7Very high5 Ų560.6 Ų60.65%0.05229%0.29CS..THydrogen-bonded Turntrans-74.1-17.9174.600000113.5S141 Y165S141-G144 PolarHBondContact O-N 3.22Å; S141-G144 VanDerWaalsContact O-N 3.09Å; S141-G144 PolarHBondContact OG-N 2.97Å; G144-Y165 WeakPolarHBondContact O-CE1 3.47Å; G144-Y165 PolarHBondContact O-OH 3.04Å
145K92.8Very high91.7Very high58 Ų5862.4 Ų62.425%0.25230%0.3SS..  trans-70.6140.4180-176.6173.755.8-147.10112.3K133 Y135 S141 Q143K133-K145 HydrophobicContact CD-CD 3.85Å; K133-K145 HydrophobicContact CG-CD 4.39Å; Y135-K145 HydrophobicContact CD1-CB 4.25Å; Y135-K145 HydrophobicContact CE1-CB 3.57Å; Y135-K145 HydrophobicContact CE1-CG 4.15Å; Y135-K145 HydrophobicContact CE2-CD 4.45Å; Y135-K145 HydrophobicContact CE2-CG 4.31Å; S141-K145 PolarHBondContact O-N 2.87Å; Q143-K145 VanDerWaalsContact C-N 3.29Å
146R96.4Very high91.8Very high51 Ų5164.9 Ų64.919%0.19232%0.315CS..EExtended strand (participates in β ladder)trans-120.5155.6157.2-55.4-67.9178.2-85.8-10.7109.4K133 T134 Q143 L163 K164 Y165K133-R146 WeakPolarHBondContact CA-O 3.47Å; T134-R146 PolarHBondContact N-O 2.82Å; T134-R146 PolarHBondContact O-N 2.65Å; T134-R146 VanDerWaalsContact O-N 3.08Å; T134-R146 WeakPolarHBondContact OG1-CB 3.36Å; Q143-R146 PolarHBondContact O-NH1 2.86Å; R146-L163 HydrophobicContact CB-CB 3.87Å; R146-L163 HydrophobicContact CB-CD1 3.99Å; R146-L163 HydrophobicContact CB-CD2 4.18Å; R146-L163 HydrophobicContact CB-CG 4.23Å; R146-L163 HydrophobicContact CG-CB 4.37Å; R146-K164 PolarHBondContact NE-O 2.75Å; R146-K164 PolarHBondContact NH2-O 2.84Å; R146-Y165 HydrophobicContact CG-CE1 4.21Å; R146-Y165 HydrophobicContact CG-CE2 3.97Å
147K97.4Very high92Very high138 Ų13864.2 Ų64.260%0.631%0.312SS*.EExtended strand (participates in β ladder)trans-148.4150.917866.1173.9-174.4171.70111V132 K133 L163V132-K147 CarbonylContact O-C 3.58Å; V132-K147 WeakPolarHBondContact O-CA 3.27Å; V132-K147 WeakPolarHBondContact O-CB 3.45Å; K133-K147 HydrophobicContact CG-CB 4.37Å; K147-L163 WeakPolarHBondContact O-CD2 3.29Å
148T98.6Very high92.4Very high6 Ų667.4 Ų67.44%0.03733%0.332CS..  trans-81.2175.5169.5640000111.2I112 V132 F159 E161 L163I112-T148 HydrophobicContact CB-CG2 4.11Å; I112-T148 HydrophobicContact CG1-CG2 4.05Å; I112-T148 HydrophobicContact CG2-CG2 4.16Å; V132-T148 HydrophobicContact CB-CG2 3.97Å; V132-T148 PolarHBondContact N-OG1 3.14Å; V132-T148 PolarHBondContact O-N 3.42Å; T148-F159 HydrophobicContact CG2-CB 4.48Å; T148-F159 HydrophobicContact CG2-CD1 4.27Å; T148-F159 HydrophobicContact CG2-CG 4.41Å; T148-F159 WeakPolarHBondContact OG1-CD1 3.4Å; T148-F159 WeakPolarHBondContact OG1-CE1 3.48Å; T148-E161 VanDerWaalsContact CA-OE2 3.3Å; T148-E161 WeakPolarHBondContact CA-OE2 3.2Å; T148-E161 WeakPolarHBondContact CB-OE1 3.34Å; T148-E161 HydrophobicContact CG2-CB 4.04Å; T148-L163 HydrophobicContact CG2-CD1 4.2Å; T148-L163 HydrophobicContact CG2-CD2 4.34Å; T148-L163 HydrophobicContact CG2-CG 4.48Å
149R98.2Very high93Very high192 Ų19266.7 Ų66.773%0.72533%0.326SS*.PPolyproline II helixtrans-66.1159.1162.7-61.6175.7-178.4-96.80.1110.3F159 E161R149-F159 WeakPolarHBondContact O-CE1 3.46Å; R149-E161 VanDerWaalsContact CB-OE1 3.26Å; R149-E161 WeakPolarHBondContact CB-OE1 3.42Å; R149-E161 WeakPolarHBondContact CG-OE1 3.45Å; R149-E161 PolarHBondContact N-OE1 3.04Å; R149-E161 PolarHBondContact N-OE2 2.86Å; R149-E161 VanDerWaalsContact N-OE2 3.16Å
150V98.1Very high93.7Very high54 Ų5472.8 Ų72.833%0.32735%0.353SS..PPolyproline II helixtrans-87.1120.2175.8-178.90000108.4N129 Y131 L184N129-V150 HydrophobicContact CB-CG1 3.75Å; Y131-V150 HydrophobicContact CD1-CG2 4.04Å; Y131-V150 HydrophobicContact CG-CG2 4.1Å; V150-L184 HydrophobicContact CG1-CB 4.18Å; V150-L184 HydrophobicContact CG1-CD2 4.44Å; V150-L184 HydrophobicContact CG2-CB 4.41Å; V150-L184 HydrophobicContact CG2-CD2 3.94Å
151Q98.4Very high94.3Very high67 Ų6771.2 Ų71.231%0.31335%0.349SS..PPolyproline II helixtrans-82.6140.2167.6-66.5-61.4-7.900109.1N129 P130 T154 P157 T158 F159N129-Q151 CarbonylContact C-O 3.56Å; N129-Q151 WeakPolarHBondContact CA-O 3.43Å; N129-Q151 WeakPolarHBondContact CB-O 3.24Å; P130-Q151 VanDerWaalsContact CD-O 3.23Å; P130-Q151 WeakPolarHBondContact CD-O 3.33Å; P130-Q151 HydrophobicContact CG-CB 4.27Å; P130-Q151 PolarHBondContact O-N 3.45Å; Q151-T154 HydrophobicContact CB-CG2 3.93Å; Q151-P157 HydrophobicContact CB-CB 3.74Å; Q151-P157 HydrophobicContact CG-CB 3.79Å; Q151-T158 PolarHBondContact NE2-O 2.95Å; Q151-F159 HydrophobicContact CB-CE1 4.36Å; Q151-F159 HydrophobicContact CG-CD1 3.89Å; Q151-F159 HydrophobicContact CG-CE1 3.7Å; Q151-F159 HydrophobicContact CG-CZ 4.37Å
152K97.2Very high95.1Very high173 Ų17372.9 Ų72.975%0.75236%0.358SS*.PPolyproline II helixtrans-101.3136.6-172.4-67-178.9-178.6175.60110.8T154K152-T154 PolarHBondContact O-N 3.19Å
153N96.7Very high96Very high110 Ų11069.8 Ų69.859%0.58834%0.335SS*.SBendtrans47.352.4170.2-158.352.4000115.4C128 N129C128-N153 CarbonylContact O-C 3.42Å; C128-N153 WeakPolarHBondContact O-CA 3.13Å; C128-N153 PolarHBondContact O-N 3.21Å; N129-N153 PolarHBondContact OD1-N 3.41Å
154T98.2Very high96.8Very high40 Ų4070.1 Ų70.125%0.24534%0.335CS..  trans-145.1145.7179.5-179.60000111.4C128 P130 Q151 K152 D156 P157C128-T154 WeakPolarHBondContact CB-O 3.21Å; C128-T154 PolarHBondContact O-N 2.91Å; P130-T154 WeakPolarHBondContact CD-O 3.28Å; P130-T154 HydrophobicContact CG-CG2 4.11Å; Q151-T154 HydrophobicContact CB-CG2 3.93Å; K152-T154 PolarHBondContact O-N 3.19Å; T154-D156 PolarHBondContact OG1-N 3.26Å; T154-P157 HydrophobicContact CG2-CB 3.84Å
155L98.1Very high97.2Very high39 Ų3970.4 Ų70.420%0.20434%0.335CS..SBendtrans-96.1-10.8169.8-57.3-174.3000112.5L118 Y120 C128 P157L118-L155 HydrophobicContact CB-CB 4.46Å; L118-L155 WeakPolarHBondContact CB-O 3.18Å; L118-L155 VanDerWaalsContact CG-O 3.25Å; L118-L155 WeakPolarHBondContact CG-O 3.38Å; L118-L155 PolarHBondContact N-O 3.47Å; L118-L155 VanDerWaalsContact N-O 3.15Å; L118-L155 WeakPolarHBondContact O-CD2 3.41Å; Y120-L155 HydrophobicContact CD1-CD2 3.82Å; Y120-L155 HydrophobicContact CE1-CD1 3.97Å; Y120-L155 HydrophobicContact CE1-CD2 3.9Å; Y120-L155 HydrophobicContact CE1-CG 4.2Å; Y120-L155 HydrophobicContact CE2-CD1 4.2Å; Y120-L155 HydrophobicContact CG-CD2 4.38Å; C128-L155 HydrophobicContact CB-CD2 3.49Å; C128-L155 VanDerWaalsContact CB-CD2 3.49Å; L155-P157 WeakPolarHBondContact O-CD 3.4Å
156D98.4Very high97.2Very high81 Ų8171.2 Ų71.243%0.43334%0.34SS..SBendtrans-126.961.4-176.3-51.1-79.2000109.9C115 K116 N117 T154C115-D156 CarbonylContact O-C 3.59Å; C115-D156 WeakPolarHBondContact O-CA 3.35Å; K116-D156 WeakPolarHBondContact CA-OD1 3.34Å; K116-D156 WeakPolarHBondContact CB-OD1 3.36Å; N117-D156 PolarHBondContact N-OD1 3.39Å; T154-D156 PolarHBondContact OG1-N 3.26Å
157P98.3Very high96.8Very high2 Ų269 Ų691%0.01333%0.332CS..  trans-70.2133-175.130.1-38.3000112.6T114 C115 L118 P130 Q151 T154 L155 F159T114-P157 CarbonylContact C-O 3.56Å; T114-P157 WeakPolarHBondContact CA-O 3.38Å; T114-P157 WeakPolarHBondContact CB-O 3.38Å; T114-P157 PolarHBondContact OG1-O 2.85Å; C115-P157 HydrophobicContact CB-CG 3.77Å; C115-P157 PolarHBondContact N-O 3.24Å; L118-P157 HydrophobicContact CD1-CG 3.81Å; P130-P157 HydrophobicContact CB-CB 4.49Å; P130-P157 HydrophobicContact CB-CG 4Å; P130-P157 HydrophobicContact CG-CB 3.58Å; P130-P157 HydrophobicContact CG-CG 3.46Å; P130-P157 VanDerWaalsContact CG-CG 3.46Å; Q151-P157 HydrophobicContact CB-CB 3.74Å; Q151-P157 HydrophobicContact CG-CB 3.79Å; T154-P157 HydrophobicContact CG2-CB 3.84Å; L155-P157 WeakPolarHBondContact O-CD 3.4Å; P157-F159 HydrophobicContact CB-CD2 4.41Å; P157-F159 HydrophobicContact CB-CE1 4.33Å; P157-F159 HydrophobicContact CB-CE2 3.73Å; P157-F159 HydrophobicContact CB-CZ 3.68Å; P157-F159 HydrophobicContact CG-CD2 4.48Å; P157-F159 HydrophobicContact CG-CE2 3.53Å; P157-F159 HydrophobicContact CG-CZ 3.71Å
158T98.4Very high96.2Very high73 Ų7366.8 Ų66.845%0.44833%0.327SS..EExtended strand (participates in β ladder)trans-96.5123.1164.5-59.50000109.4Q151 E160Q151-T158 PolarHBondContact NE2-O 2.95Å; T158-E160 HydrophobicContact CG2-CG 3.76Å
159F98.3Very high95.6Very high13 Ų1369.1 Ų69.16%0.05734%0.341CS..EExtended strand (participates in β ladder)trans-102.2-52.3-178.7-64.1-77.4000112I112 K113 P130 V132 T148 R149 Q151 P157 E161I112-F159 HydrophobicContact CG2-CB 3.98Å; I112-F159 HydrophobicContact CG2-CD2 3.71Å; I112-F159 HydrophobicContact CG2-CE2 4.5Å; I112-F159 HydrophobicContact CG2-CG 4.03Å; K113-F159 PolarHBondContact O-N 3.43Å; P130-F159 HydrophobicContact CB-CZ 4.4Å; V132-F159 HydrophobicContact CG2-CD2 4.22Å; V132-F159 HydrophobicContact CG2-CE2 3.73Å; V132-F159 HydrophobicContact CG2-CZ 3.95Å; T148-F159 HydrophobicContact CG2-CB 4.48Å; T148-F159 HydrophobicContact CG2-CD1 4.27Å; T148-F159 HydrophobicContact CG2-CG 4.41Å; T148-F159 WeakPolarHBondContact OG1-CD1 3.4Å; T148-F159 WeakPolarHBondContact OG1-CE1 3.48Å; R149-F159 WeakPolarHBondContact O-CE1 3.46Å; Q151-F159 HydrophobicContact CB-CE1 4.36Å; Q151-F159 HydrophobicContact CG-CD1 3.89Å; Q151-F159 HydrophobicContact CG-CE1 3.7Å; Q151-F159 HydrophobicContact CG-CZ 4.37Å; P157-F159 HydrophobicContact CB-CD2 4.41Å; P157-F159 HydrophobicContact CB-CE1 4.33Å; P157-F159 HydrophobicContact CB-CE2 3.73Å; P157-F159 HydrophobicContact CB-CZ 3.68Å; P157-F159 HydrophobicContact CG-CD2 4.48Å; P157-F159 HydrophobicContact CG-CE2 3.53Å; P157-F159 HydrophobicContact CG-CZ 3.71Å; F159-E161 PolarHBondContact O-N 3.03Å
160E97Very high95Very high148 Ų14862.1 Ų62.169%0.69233%0.329SS*.EExtended strand (participates in β ladder)trans51.941.6-174.3-62-177.3159.400113.4I112 K113 T158I112-E160 WeakPolarHBondContact O-CA 3.48Å; I112-E160 PolarHBondContact O-N 3.01Å; I112-E160 VanDerWaalsContact O-N 3.09Å; K113-E160 PolarHBondContact O-N 3.21Å; T158-E160 HydrophobicContact CG2-CG 3.76Å
161E98.2Very high94.3Very high40 Ų4059.8 Ų59.819%0.18732%0.315CS..EExtended strand (participates in β ladder)trans-115.1135.8-176.7-74.7-177.9-115.400111.7I112 T148 R149 F159I112-E161 PolarHBondContact N-O 2.87Å; I112-E161 PolarHBondContact O-N 3.13Å; I112-E161 VanDerWaalsContact O-N 3.08Å; T148-E161 VanDerWaalsContact CA-OE2 3.3Å; T148-E161 WeakPolarHBondContact CA-OE2 3.2Å; T148-E161 WeakPolarHBondContact CB-OE1 3.34Å; T148-E161 HydrophobicContact CG2-CB 4.04Å; R149-E161 VanDerWaalsContact CB-OE1 3.26Å; R149-E161 WeakPolarHBondContact CB-OE1 3.42Å; R149-E161 WeakPolarHBondContact CG-OE1 3.45Å; R149-E161 PolarHBondContact N-OE1 3.04Å; R149-E161 PolarHBondContact N-OE2 2.86Å; R149-E161 VanDerWaalsContact N-OE2 3.16Å; F159-E161 PolarHBondContact O-N 3.03Å
162T97Very high93.8Very high66 Ų6656.8 Ų56.841%0.40530%0.301SS..EExtended strand (participates in β ladder)trans-101.9116.5174.7-61.20000111.1E109 I110 K164E109-T162 HydrophobicContact CB-CG2 3.84Å; E109-T162 HydrophobicContact CG-CG2 4.49Å; I110-T162 WeakPolarHBondContact O-CA 3.35Å; T162-K164 HydrophobicContact CG2-CG 4.12Å
163L97.1Very high93.3Very high13 Ų1353.6 Ų53.67%0.06829%0.29CS..EExtended strand (participates in β ladder)trans-95.5128.8175.8-54.2-178.8000109.7I110 I112 T134 R146 K147 T148I110-L163 WeakPolarHBondContact CD1-O 3.47Å; I110-L163 PolarHBondContact N-O 2.8Å; I110-L163 PolarHBondContact O-N 3.14Å; I112-L163 HydrophobicContact CG1-CD1 4.09Å; I112-L163 HydrophobicContact CG1-CG 4.35Å; T134-L163 HydrophobicContact CG2-CD1 3.7Å; R146-L163 HydrophobicContact CB-CB 3.87Å; R146-L163 HydrophobicContact CB-CD1 3.99Å; R146-L163 HydrophobicContact CB-CD2 4.18Å; R146-L163 HydrophobicContact CB-CG 4.23Å; R146-L163 HydrophobicContact CG-CB 4.37Å; K147-L163 WeakPolarHBondContact O-CD2 3.29Å; T148-L163 HydrophobicContact CG2-CD1 4.2Å; T148-L163 HydrophobicContact CG2-CD2 4.34Å; T148-L163 HydrophobicContact CG2-CG 4.48Å
164K95.5Very high92.7Very high104 Ų10451.1 Ų51.145%0.45228%0.279SS..EExtended strand (participates in β ladder)trans-116.2139.8-172.8-55.8-165.7-177-158.80113.7L108 E109 R146 T162L108-K164 WeakPolarHBondContact O-CA 3.26Å; E109-K164 HydrophobicContact CG-CD 4.13Å; E109-K164 HydrophobicContact CG-CG 4.08Å; E109-K164 WeakPolarHBondContact OE1-CE 3.35Å; E109-K164 IonicContact OE1-NZ 2.79Å; E109-K164 PolarHBondContact OE1-NZ 2.92Å; E109-K164 IonicContact OE2-NZ 3.05Å; R146-K164 PolarHBondContact NE-O 2.75Å; R146-K164 PolarHBondContact NH2-O 2.84Å; T162-K164 HydrophobicContact CG2-CG 4.12Å
165Y93.9Very high92.3Very high10 Ų1049.6 Ų49.64%0.03927%0.269CS..EExtended strand (participates in β ladder)trans-120.5133.4171.4-67.5-94.4000110.3S107 L108 I110 T134 Y135 L136 G144 R146S107-Y165 CarbonylContact C-O 3.26Å; S107-Y165 WeakPolarHBondContact CA-O 3.25Å; S107-Y165 WeakPolarHBondContact CB-O 3.48Å; L108-Y165 PolarHBondContact N-O 2.87Å; L108-Y165 PolarHBondContact O-N 2.84Å; I110-Y165 HydrophobicContact CD1-CD2 3.47Å; I110-Y165 VanDerWaalsContact CD1-CD2 3.47Å; I110-Y165 HydrophobicContact CD1-CE2 3.68Å; T134-Y165 WeakPolarHBondContact CB-OH 3.26Å; T134-Y165 PolarHBondContact O-OH 2.85Å; T134-Y165 PolarHBondContact OG1-OH 2.88Å; Y135-Y165 WeakPolarHBondContact CA-OH 3.25Å; Y135-Y165 PolarHBondContact N-OH 3.22Å; L136-Y165 HydrophobicContact CB-CD1 3.82Å; L136-Y165 HydrophobicContact CB-CE1 3.75Å; L136-Y165 HydrophobicContact CB-CG 4.42Å; L136-Y165 HydrophobicContact CD2-CD1 4.36Å; G144-Y165 WeakPolarHBondContact O-CE1 3.47Å; G144-Y165 PolarHBondContact O-OH 3.04Å; R146-Y165 HydrophobicContact CG-CE1 4.21Å; R146-Y165 HydrophobicContact CG-CE2 3.97Å
166Q91.3Very high92Very high76 Ų7650.7 Ų50.736%0.35527%0.27SS..EExtended strand (participates in β ladder)trans-82.7113.7166.6-67.6-64.6-35.100108.2S105 S279S105-Q166 PolarHBondContact O-OE1 3.16Å; S105-Q166 VanDerWaalsContact O-OE1 3.04Å; Q166-S279 WeakPolarHBondContact CB-O 3.5Å; Q166-S279 VanDerWaalsContact CG-O 3.28Å; Q166-S279 WeakPolarHBondContact CG-O 3.1Å
167V88.1Confident91.9Very high5 Ų546.8 Ų46.83%0.0325%0.249CC..  trans-153.2129.1-17658.90000109.6Y101 C106 L108 L136 Q171 L172Y101-V167 HydrophobicContact CE2-CG1 4.03Å; Y101-V167 VanDerWaalsContact CE2-O 3.25Å; Y101-V167 WeakPolarHBondContact CE2-O 3.49Å; Y101-V167 PolarHBondContact OH-O 3.49Å; C106-V167 CarbonylContact C-O 3.53Å; C106-V167 CarbonylContact O-C 3.49Å; C106-V167 PolarHBondContact O-N 2.85Å; L108-V167 HydrophobicContact CB-CG1 3.69Å; L136-V167 HydrophobicContact CD2-CB 4.12Å; L136-V167 HydrophobicContact CD2-CG1 4.3Å; L136-V167 HydrophobicContact CD2-CG2 4.04Å; V167-Q171 HydrophobicContact CG2-CB 3.78Å; V167-L172 HydrophobicContact CG1-CD2 3.65Å; V167-L172 HydrophobicContact CG2-CD2 4.2Å
168D86.2Confident91.8Very high91 Ų9147.4 Ų47.449%0.48725%0.252SS..  trans-64143176.1-177.8-88.7000111G170 Q171D168-G170 PolarHBondContact O-N 3.49Å; D168-G170 VanDerWaalsContact O-N 3.17Å; D168-G170 WeakPolarHBondContact OD1-CA 3.29Å; D168-G170 PolarHBondContact OD1-N 2.88Å; D168-Q171 HydrophobicContact CB-CG 4.31Å; D168-Q171 WeakPolarHBondContact O-CB 3.31Å; D168-Q171 PolarHBondContact O-N 2.85Å
169P86.2Confident91.8Very high54 Ų5444 Ų4435%0.35123%0.231SC..Hα-helixtrans-57.6-34.5-177-16.125.4000112.6Y101 Q171 L172Y101-P169 HydrophobicContact CE1-CB 4.11Å; Y101-P169 HydrophobicContact CE1-CG 3.72Å; Y101-P169 WeakPolarHBondContact OH-CD 3.39Å; Y101-P169 VanDerWaalsContact OH-CG 3.3Å; Y101-P169 WeakPolarHBondContact OH-CG 3.41Å; P169-Q171 PolarHBondContact O-N 2.82Å; P169-L172 PolarHBondContact O-N 2.83Å
170G84.9Confident91.7Very high45 Ų4543.4 Ų43.446%0.46423%0.228SC..Hα-helixtrans-66.6-22.6179.100000113.4D168D168-G170 PolarHBondContact O-N 3.49Å; D168-G170 VanDerWaalsContact O-N 3.17Å; D168-G170 WeakPolarHBondContact OD1-CA 3.29Å; D168-G170 PolarHBondContact OD1-N 2.88Å
171Q83.3Confident91.8Very high6 Ų636.3 Ų36.33%0.02820%0.195CC..Hα-helixtrans-81.2-26.7177.5-66.3-162.99.500113.1V167 D168 P169 M173 T174 R175 L275V167-Q171 HydrophobicContact CG2-CB 3.78Å; D168-Q171 HydrophobicContact CB-CG 4.31Å; D168-Q171 WeakPolarHBondContact O-CB 3.31Å; D168-Q171 PolarHBondContact O-N 2.85Å; P169-Q171 PolarHBondContact O-N 2.82Å; Q171-M173 PolarHBondContact O-N 2.93Å; Q171-M173 VanDerWaalsContact O-N 3.11Å; Q171-T174 PolarHBondContact O-N 2.85Å; Q171-T174 PolarHBondContact O-OG1 3.36Å; Q171-R175 WeakPolarHBondContact O-CG 2.89Å; Q171-L275 PolarHBondContact NE2-O 2.86Å; Q171-L275 PolarHBondContact OE1-O 2.84Å
172L88.5Confident91.8Very high3 Ų335.8 Ų35.82%0.01619%0.191CC..Hα-helixtrans-53.4-39.1-174.1-66.4171000112Y101 L108 V167 P169 T174 R175 L200 F205Y101-L172 HydrophobicContact CD1-CD1 4.46Å; Y101-L172 HydrophobicContact CD2-CD1 3.56Å; Y101-L172 HydrophobicContact CD2-CD2 4.25Å; Y101-L172 HydrophobicContact CD2-CG 4.42Å; Y101-L172 HydrophobicContact CE2-CD1 3.78Å; Y101-L172 HydrophobicContact CE2-CD2 4.35Å; Y101-L172 HydrophobicContact CE2-CG 4.37Å; Y101-L172 HydrophobicContact CG-CD1 3.92Å; L108-L172 HydrophobicContact CB-CD2 4.43Å; L108-L172 HydrophobicContact CD1-CD2 4.11Å; L108-L172 HydrophobicContact CD2-CD2 4.31Å; V167-L172 HydrophobicContact CG1-CD2 3.65Å; V167-L172 HydrophobicContact CG2-CD2 4.2Å; P169-L172 PolarHBondContact O-N 2.83Å; L172-T174 PolarHBondContact O-N 3.13Å; L172-R175 PolarHBondContact O-N 2.77Å; L172-L200 HydrophobicContact CD2-CD1 4Å; L172-L200 VanDerWaalsContact O-CB 3.28Å; L172-L200 WeakPolarHBondContact O-CB 3.48Å; L172-F205 HydrophobicContact CB-CE2 4.24Å; L172-F205 HydrophobicContact CD1-CD2 4.11Å; L172-F205 HydrophobicContact CD1-CE2 3.73Å; L172-F205 HydrophobicContact CD1-CZ 3.99Å; L172-F205 HydrophobicContact CD2-CZ 4.4Å; L172-F205 HydrophobicContact CG-CE2 4.47Å
173M85.5Confident91.8Very high106 Ų10632.6 Ų32.652%0.52217%0.172SC..THydrogen-bonded Turntrans-63.6-16-178.8-54.5-55.8159.300114.1Q171 A201Q171-M173 PolarHBondContact O-N 2.93Å; Q171-M173 VanDerWaalsContact O-N 3.11Å; M173-A201 WeakPolarHBondContact O-CB 3.22Å
174T84.5Confident91.7Very high58 Ų5834.8 Ų34.836%0.35618%0.183SC..THydrogen-bonded Turntrans-106.83179.164.50000113.2Q171 L172Q171-T174 PolarHBondContact O-N 2.85Å; Q171-T174 PolarHBondContact O-OG1 3.36Å; L172-T174 PolarHBondContact O-N 3.13Å
175R88.9Confident91.6Very high9 Ų930.3 Ų30.33%0.03417%0.167CC..  trans-110.3155.6-173.3-61.8-67.7-178.3-117.9-3.7111.5L136 L137 Q171 L172 L200 N274 L275L136-R175 HydrophobicContact CD1-CB 3.65Å; L136-R175 HydrophobicContact CD1-CG 4.23Å; L136-R175 HydrophobicContact CD2-CG 4.21Å; L136-R175 HydrophobicContact CG-CB 3.98Å; L136-R175 HydrophobicContact CG-CG 4.05Å; L137-R175 WeakPolarHBondContact O-CD 3.45Å; Q171-R175 WeakPolarHBondContact O-CG 2.89Å; L172-R175 PolarHBondContact O-N 2.77Å; R175-L200 HydrophobicContact CB-CD1 4.17Å; R175-L200 PolarHBondContact O-N 3.41Å; R175-N274 PolarHBondContact NH2-O 3.42Å; R175-L275 PolarHBondContact NH2-O 3.41Å
176R93.2Very high91.3Very high61 Ų6133.2 Ų33.223%0.2319%0.186CC..EExtended strand (participates in β ladder)trans-122.9132.6169.5-53.3-175.6-70.3144.41.6108.6L137 I197 L198 P199 E226L137-R176 HydrophobicContact CB-CB 4.23Å; L137-R176 WeakPolarHBondContact CB-O 3.17Å; L137-R176 HydrophobicContact CD1-CB 4.44Å; L137-R176 PolarHBondContact N-O 3.39Å; L137-R176 PolarHBondContact O-N 3.21Å; R176-I197 HydrophobicContact CB-CG2 4.2Å; R176-L198 CarbonylContact C-O 3.57Å; R176-L198 WeakPolarHBondContact CA-O 3.36Å; R176-P199 HydrophobicContact CG-CB 4.4Å; R176-E226 IonicContact CZ-OE1 2.68Å; R176-E226 IonicContact CZ-OE2 2.95Å; R176-E226 VanDerWaalsContact NH1-CD 3.31Å; R176-E226 IonicContact NH1-OE1 3.64Å; R176-E226 PolarHBondContact NH1-OE1 3.08Å; R176-E226 IonicContact NH1-OE2 2.79Å; R176-E226 PolarHBondContact NH1-OE2 3.01Å; R176-E226 IonicContact NH2-OE1 2.69Å; R176-E226 IonicContact NH2-OE2 3.91Å; R176-E226 PolarHBondContact NH2-OE2 3.19Å
177L95.4Very high91.1Very high0 Ų038 Ų380%021%0.213CC..EExtended strand (participates in β ladder)trans-86.3120.5172.3177.666.5000108.5F97 I99 I110 V179 I197 L198 L200F97-L177 HydrophobicContact CE2-CD2 4.27Å; I99-L177 HydrophobicContact CD1-CD2 3.69Å; I99-L177 HydrophobicContact CG1-CD2 4.11Å; I110-L177 HydrophobicContact CD1-CD1 4.32Å; I110-L177 HydrophobicContact CG1-CD1 3.96Å; I110-L177 HydrophobicContact CG1-CD2 3.72Å; I110-L177 HydrophobicContact CG2-CD2 4.29Å; L177-V179 HydrophobicContact CD1-CG2 4.37Å; L177-V179 HydrophobicContact CD2-CG2 3.87Å; L177-V179 HydrophobicContact CG-CG2 3.8Å; L177-I197 CarbonylContact O-C 3.57Å; L177-I197 WeakPolarHBondContact O-CA 3.4Å; L177-L198 PolarHBondContact N-O 3.42Å; L177-L198 PolarHBondContact O-N 3.26Å; L177-L200 HydrophobicContact CB-CD2 3.99Å; L177-L200 HydrophobicContact CB-CG 4.33Å
178Q96.7Very high91Very high14 Ų1441 Ų417%0.06524%0.239CC..EExtended strand (participates in β ladder)trans-102.8121.8170179-179.85.900108.5T134 Y135 L137 E195 I197T134-Q178 CarbonylContact C-O 3.59Å; T134-Q178 WeakPolarHBondContact CA-O 3.02Å; Y135-Q178 PolarHBondContact N-O 2.95Å; Y135-Q178 PolarHBondContact O-N 2.96Å; L137-Q178 HydrophobicContact CD1-CB 4.04Å; L137-Q178 HydrophobicContact CG-CB 4.13Å; Q178-E195 PolarHBondContact NE2-OE2 2.62Å; Q178-I197 HydrophobicContact CB-CG1 4.27Å; Q178-I197 HydrophobicContact CG-CG1 4.04Å
179V97.8Very high91.2Very high1 Ų142.1 Ų42.11%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-116.5118175.9-1730000107.5I95 F97 I112 V132 T134 L177 E195 V196I95-V179 HydrophobicContact CD1-CG1 3.8Å; F97-V179 HydrophobicContact CE1-CB 4.44Å; F97-V179 HydrophobicContact CE1-CG1 4.43Å; F97-V179 HydrophobicContact CE1-CG2 4.29Å; F97-V179 HydrophobicContact CE2-CG2 4.04Å; F97-V179 HydrophobicContact CZ-CB 4.42Å; F97-V179 HydrophobicContact CZ-CG2 3.85Å; I112-V179 HydrophobicContact CD1-CG1 4.1Å; V132-V179 HydrophobicContact CG1-CG1 3.54Å; T134-V179 HydrophobicContact CG2-CB 4.35Å; T134-V179 HydrophobicContact CG2-CG1 4.08Å; T134-V179 HydrophobicContact CG2-CG2 4.04Å; L177-V179 HydrophobicContact CD1-CG2 4.37Å; L177-V179 HydrophobicContact CD2-CG2 3.87Å; L177-V179 HydrophobicContact CG-CG2 3.8Å; V179-E195 CarbonylContact O-C 3.14Å; V179-E195 WeakPolarHBondContact O-CA 3.48Å; V179-E195 WeakPolarHBondContact O-CB 3.31Å; V179-V196 PolarHBondContact N-O 3.36Å; V179-V196 PolarHBondContact O-N 3.4Å
180S97.4Very high91.5Very high1 Ų144.8 Ų44.81%0.00724%0.239CC..EExtended strand (participates in β ladder)trans-128.5137.6-173.754.10000111.2V132 K133 W182 G194V132-S180 CarbonylContact C-O 3.53Å; V132-S180 WeakPolarHBondContact CA-O 3.49Å; K133-S180 PolarHBondContact N-O 3.15Å; K133-S180 PolarHBondContact O-N 3.31Å; K133-S180 PolarHBondContact O-OG 3.2Å; K133-S180 VanDerWaalsContact O-OG 3.11Å; S180-W182 PolarHBondContact OG-NE1 2.75Å; S180-G194 CarbonylContact C-O 3.45Å; S180-G194 WeakPolarHBondContact CA-O 3.47Å
181V98.2Very high91.9Very high0 Ų042.8 Ų42.80%022%0.218CC..EExtended strand (participates in β ladder)trans-101.5137.2179.4-1700000108.9I95 L118 P130 V132 L193 G194 L218I95-V181 HydrophobicContact CD1-CG2 4.04Å; L118-V181 HydrophobicContact CD1-CG1 3.99Å; L118-V181 HydrophobicContact CD2-CG1 4.13Å; P130-V181 HydrophobicContact CB-CG1 4.34Å; V132-V181 HydrophobicContact CG2-CG2 4.32Å; V181-L193 HydrophobicContact CB-CB 4.19Å; V181-L193 HydrophobicContact CG1-CB 4.16Å; V181-L193 HydrophobicContact CG1-CD1 4.15Å; V181-L193 WeakPolarHBondContact O-CB 3.39Å; V181-L193 PolarHBondContact O-N 2.82Å; V181-G194 PolarHBondContact N-O 2.8Å; V181-L218 HydrophobicContact CB-CD1 4.36Å; V181-L218 HydrophobicContact CB-CD2 4.48Å; V181-L218 HydrophobicContact CG2-CD1 3.97Å; V181-L218 HydrophobicContact CG2-CD2 3.65Å; V181-L218 HydrophobicContact CG2-CG 4.49Å
182W97.6Very high92.5Very high28 Ų2842.8 Ų42.811%0.10622%0.218CC..EExtended strand (participates in β ladder)trans-137.9147.9-173.9-61.979.5000110.6F86 P130 Y131 S180 R190 V191 F192F86-W182 HydrophobicContact CB-CZ3 4.25Å; F86-W182 HydrophobicContact CD1-CZ3 4.06Å; F86-W182 HydrophobicContact CD2-CH2 4.15Å; F86-W182 HydrophobicContact CD2-CZ3 4.05Å; F86-W182 HydrophobicContact CE1-CZ3 4.47Å; F86-W182 HydrophobicContact CE2-CH2 4.39Å; F86-W182 HydrophobicContact CE2-CZ3 4.46Å; F86-W182 HydrophobicContact CG-CH2 4.41Å; F86-W182 AromaticContact CG-CZ3 3.84Å; F86-W182 HydrophobicContact CG-CZ3 3.84Å; P130-W182 CarbonylContact C-O 3.56Å; P130-W182 VanDerWaalsContact CA-O 3.23Å; P130-W182 WeakPolarHBondContact CA-O 3.48Å; Y131-W182 HydrophobicContact CD1-CB 3.96Å; Y131-W182 WeakPolarHBondContact CD1-O 3.3Å; Y131-W182 HydrophobicContact CD2-CB 4.39Å; Y131-W182 HydrophobicContact CE1-CB 3.4Å; Y131-W182 HydrophobicContact CE1-CG 4.47Å; Y131-W182 HydrophobicContact CE2-CB 3.9Å; Y131-W182 HydrophobicContact CE2-CG 4.24Å; Y131-W182 HydrophobicContact CG-CB 4.42Å; Y131-W182 AromaticContact CZ-CG 3.99Å; Y131-W182 PolarHBondContact N-O 2.83Å; Y131-W182 PolarHBondContact O-N 3.42Å; S180-W182 PolarHBondContact OG-NE1 2.75Å; W182-R190 HydrophobicContact CE3-CB 4.22Å; W182-V191 CarbonylContact C-O 3.41Å; W182-V191 WeakPolarHBondContact CA-O 3.46Å; W182-F192 HydrophobicContact CD2-CD2 4.31Å; W182-F192 AromaticContact CE2-CD2 3.98Å; W182-F192 HydrophobicContact CE3-CB 4.22Å; W182-F192 HydrophobicContact CE3-CD2 4.44Å; W182-F192 HydrophobicContact CH2-CB 4.48Å; W182-F192 HydrophobicContact CH2-CD2 4.01Å; W182-F192 AromaticContact CZ2-CD2 3.85Å; W182-F192 HydrophobicContact CZ2-CD2 3.85Å; W182-F192 HydrophobicContact CZ2-CE2 4.45Å; W182-F192 HydrophobicContact CZ3-CB 4.05Å; W182-F192 HydrophobicContact CZ3-CD2 4.3Å
183H97Very high92.8Very high0 Ų042.6 Ų42.60%022%0.217CC..EExtended strand (participates in β ladder)trans-93.5139.3167.5173.884.9000110.8E122 K127 C128 N129 G185 R190 V191 L193E122-H183 IonicContact OE1-NE2 2.64Å; E122-H183 PolarHBondContact OE1-NE2 3.03Å; K127-H183 PolarHBondContact O-CE1 3Å; C128-H183 WeakPolarHBondContact CA-ND1 3.47Å; N129-H183 PolarHBondContact N-CE1 3.32Å; N129-H183 VanDerWaalsContact N-CE1 3.31Å; N129-H183 PolarHBondContact N-ND1 2.64Å; H183-G185 PolarHBondContact CD2-N 3.17Å; H183-G185 VanDerWaalsContact CD2-N 3.26Å; H183-G185 WeakPolarHBondContact NE2-CA 3.29Å; H183-G185 PolarHBondContact NE2-N 3.31Å; H183-R190 VanDerWaalsContact O-CA 3.31Å; H183-R190 WeakPolarHBondContact O-CA 3.25Å; H183-V191 HydrophobicContact CB-CB 4.05Å; H183-V191 PolarHBondContact N-O 3.08Å; H183-V191 PolarHBondContact O-N 3.23Å; H183-V191 VanDerWaalsContact O-N 3.14Å; H183-L193 HydrophobicContact CB-CD1 4Å; H183-L193 HydrophobicContact CB-CD2 4.25Å; H183-L193 HydrophobicContact CB-CG 4.17Å
184L96.4Very high93.4Very high58 Ų5837.6 Ų37.630%0.30419%0.192SC..EExtended strand (participates in β ladder)trans-102.7105.9165.1-176.764.7000110.4N129 Y131 V150 A188N129-L184 WeakPolarHBondContact CB-O 3.34Å; N129-L184 PolarHBondContact ND2-O 3.29Å; N129-L184 PolarHBondContact O-N 3.45Å; Y131-L184 HydrophobicContact CD1-CB 4.25Å; Y131-L184 HydrophobicContact CE1-CB 4.01Å; V150-L184 HydrophobicContact CG1-CB 4.18Å; V150-L184 HydrophobicContact CG1-CD2 4.44Å; V150-L184 HydrophobicContact CG2-CB 4.41Å; V150-L184 HydrophobicContact CG2-CD2 3.94Å; L184-A188 HydrophobicContact CD1-CB 4.39Å
185G92.3Very high94Very high11 Ų1135.5 Ų35.511%0.11318%0.178CC..  trans-90.1-175.4-178.900000113.6E122 H183 A188 R189E122-G185 VanDerWaalsContact OE1-CA 3.32Å; E122-G185 WeakPolarHBondContact OE1-CA 3.45Å; H183-G185 PolarHBondContact CD2-N 3.17Å; H183-G185 VanDerWaalsContact CD2-N 3.26Å; H183-G185 WeakPolarHBondContact NE2-CA 3.29Å; H183-G185 PolarHBondContact NE2-N 3.31Å; G185-A188 PolarHBondContact O-N 2.88Å; G185-R189 PolarHBondContact N-O 3.18Å
186T87.1Confident94.4Very high70 Ų7035.7 Ų35.743%0.42918%0.18SC..G310 helixtrans-56.6146.9171.453.80000111.6E122 A188 R189E122-T186 PolarHBondContact OE1-N 2.97Å; T186-A188 PolarHBondContact O-N 2.82Å; T186-R189 PolarHBondContact O-N 3.24Å
187L87.8Confident94.4Very high178 Ų17835.1 Ų35.193%0.93218%0.181SC*.G310 helixtrans57.330-178.3-54.5172.6000113.9R189L187-R189 PolarHBondContact O-N 2.93Å; L187-R189 VanDerWaalsContact O-N 3.12Å
188A86.5Confident94.4Very high68 Ų6836.4 Ų36.456%0.56219%0.188SC*.G310 helixtrans60.217.6179.800000115.6L184 G185 T186L184-A188 HydrophobicContact CD1-CB 4.39Å; G185-A188 PolarHBondContact O-N 2.88Å; T186-A188 PolarHBondContact O-N 2.82Å
189R89.8Confident94.2Very high114 Ų11438.1 Ų38.143%0.4320%0.2SC..  trans-60.1138.4170.6-178.9171.5168.8-11721.6109.9D87 G185 T186 L187D87-R189 VanDerWaalsContact CG-CZ 3.5Å; D87-R189 IonicContact OD1-CZ 3.84Å; D87-R189 IonicContact OD1-NH2 2.74Å; D87-R189 PolarHBondContact OD1-NH2 2.79Å; D87-R189 IonicContact OD2-CZ 2.66Å; D87-R189 IonicContact OD2-NE 2.98Å; D87-R189 PolarHBondContact OD2-NE 3.15Å; D87-R189 IonicContact OD2-NH2 2.9Å; D87-R189 PolarHBondContact OD2-NH2 2.92Å; G185-R189 PolarHBondContact N-O 3.18Å; T186-R189 PolarHBondContact O-N 3.24Å; L187-R189 PolarHBondContact O-N 2.93Å; L187-R189 VanDerWaalsContact O-N 3.12Å
190R93Very high93.9Very high109 Ų10938 Ų3841%0.41120%0.2SC..EExtended strand (participates in β ladder)trans-114.6128.9-178.9-60.3168.3-175.8160.15108.6F86 Y131 W182 H183F86-R190 HydrophobicContact CD1-CB 3.92Å; F86-R190 WeakPolarHBondContact CD1-O 3.34Å; F86-R190 HydrophobicContact CE1-CB 4.03Å; Y131-R190 WeakPolarHBondContact OH-CD 3.28Å; Y131-R190 WeakPolarHBondContact OH-CG 3.45Å; W182-R190 HydrophobicContact CE3-CB 4.22Å; H183-R190 VanDerWaalsContact O-CA 3.31Å; H183-R190 WeakPolarHBondContact O-CA 3.25Å
191V93.7Very high93.4Very high4 Ų440.6 Ų40.62%0.02422%0.221CC..EExtended strand (participates in β ladder)trans-115.9133176.5178.40000107.8D87 A89 G121 W182 H183D87-V191 HydrophobicContact CB-CG1 4.45Å; D87-V191 HydrophobicContact CB-CG2 4.25Å; D87-V191 WeakPolarHBondContact O-CA 3.45Å; D87-V191 WeakPolarHBondContact O-CG1 3.21Å; A89-V191 HydrophobicContact CB-CG1 4.04Å; G121-V191 WeakPolarHBondContact O-CG2 3.28Å; W182-V191 CarbonylContact C-O 3.41Å; W182-V191 WeakPolarHBondContact CA-O 3.46Å; H183-V191 HydrophobicContact CB-CB 4.05Å; H183-V191 PolarHBondContact N-O 3.08Å; H183-V191 PolarHBondContact O-N 3.23Å; H183-V191 VanDerWaalsContact O-N 3.14Å
192F94.8Very high92.6Very high5 Ų547.9 Ų47.92%0.02226%0.257CS..EExtended strand (participates in β ladder)trans-78.8130.8179.8178.3-101000109.9D87 A89 V91 W182 G194 E195 K221D87-F192 PolarHBondContact O-N 3.21Å; A89-F192 PolarHBondContact N-O 2.89Å; A89-F192 VanDerWaalsContact N-O 3.15Å; V91-F192 HydrophobicContact CG2-CD1 4.36Å; V91-F192 HydrophobicContact CG2-CE1 4.22Å; W182-F192 HydrophobicContact CD2-CD2 4.31Å; W182-F192 AromaticContact CE2-CD2 3.98Å; W182-F192 HydrophobicContact CE3-CB 4.22Å; W182-F192 HydrophobicContact CE3-CD2 4.44Å; W182-F192 HydrophobicContact CH2-CB 4.48Å; W182-F192 HydrophobicContact CH2-CD2 4.01Å; W182-F192 AromaticContact CZ2-CD2 3.85Å; W182-F192 HydrophobicContact CZ2-CD2 3.85Å; W182-F192 HydrophobicContact CZ2-CE2 4.45Å; W182-F192 HydrophobicContact CZ3-CB 4.05Å; W182-F192 HydrophobicContact CZ3-CD2 4.3Å; F192-G194 VanDerWaalsContact CZ-CA 3.41Å; F192-E195 HydrophobicContact CE2-CB 4.02Å; F192-E195 HydrophobicContact CE2-CG 4.44Å; F192-E195 HydrophobicContact CZ-CB 3.75Å; F192-E195 HydrophobicContact CZ-CG 3.82Å; F192-K221 HydrophobicContact CE1-CB 4.03Å; F192-K221 HydrophobicContact CZ-CB 4.16Å
193L96.3Very high92Very high0 Ų047.9 Ų47.90%026%0.257CS..EExtended strand (participates in β ladder)trans-112.50.2-177.5-58.9-179000113.2A89 V91 L118 A119 P130 V181 H183A89-L193 HydrophobicContact CB-CD2 3.79Å; V91-L193 WeakPolarHBondContact CG1-O 3.37Å; L118-L193 HydrophobicContact CD1-CD1 4.5Å; A119-L193 HydrophobicContact CB-CD2 4.44Å; P130-L193 HydrophobicContact CB-CD1 4.46Å; V181-L193 HydrophobicContact CB-CB 4.19Å; V181-L193 HydrophobicContact CG1-CB 4.16Å; V181-L193 HydrophobicContact CG1-CD1 4.15Å; V181-L193 WeakPolarHBondContact O-CB 3.39Å; V181-L193 PolarHBondContact O-N 2.82Å; H183-L193 HydrophobicContact CB-CD1 4Å; H183-L193 HydrophobicContact CB-CD2 4.25Å; H183-L193 HydrophobicContact CB-CG 4.17Å
194G96.6Very high91.3Very high0 Ų052 Ų520%028%0.279CS..EExtended strand (participates in β ladder)trans126.9166.3177.700000113.6S180 V181 F192 R219S180-G194 CarbonylContact C-O 3.45Å; S180-G194 WeakPolarHBondContact CA-O 3.47Å; V181-G194 PolarHBondContact N-O 2.8Å; F192-G194 VanDerWaalsContact CZ-CA 3.41Å; G194-R219 CarbonylContact C-O 3.55Å; G194-R219 VanDerWaalsContact CA-O 3.24Å; G194-R219 WeakPolarHBondContact CA-O 3.28Å
195E97.3Very high90.6Very high15 Ų1550.7 Ų50.77%0.0727%0.271CS..EExtended strand (participates in β ladder)trans-146165.5178.971.7-171.2174.800114.1Q178 V179 F192 R219Q178-E195 PolarHBondContact NE2-OE2 2.62Å; V179-E195 CarbonylContact O-C 3.14Å; V179-E195 WeakPolarHBondContact O-CA 3.48Å; V179-E195 WeakPolarHBondContact O-CB 3.31Å; F192-E195 HydrophobicContact CE2-CB 4.02Å; F192-E195 HydrophobicContact CE2-CG 4.44Å; F192-E195 HydrophobicContact CZ-CB 3.75Å; F192-E195 HydrophobicContact CZ-CG 3.82Å; E195-R219 PolarHBondContact N-O 2.9Å; E195-R219 PolarHBondContact O-N 3.4Å
196V96.6Very high89.8Confident12 Ų1259.5 Ų59.57%0.07331%0.306CS..EExtended strand (participates in β ladder)trans-129.5129.8171.4-174.20000107.1I95 F97 V179 L198 Y216 L218I95-V196 HydrophobicContact CG2-CG2 3.78Å; F97-V196 HydrophobicContact CZ-CG1 4.4Å; V179-V196 PolarHBondContact N-O 3.36Å; V179-V196 PolarHBondContact O-N 3.4Å; V196-L198 HydrophobicContact CG1-CD1 4.45Å; V196-L198 HydrophobicContact CG1-CD2 4.02Å; V196-L198 HydrophobicContact CG1-CG 3.98Å; V196-Y216 HydrophobicContact CG1-CD1 3.91Å; V196-Y216 HydrophobicContact CG1-CG 3.98Å; V196-L218 HydrophobicContact CG2-CD2 4.22Å
197I95.2Very high89.2Confident49 Ų4958.9 Ų58.925%0.25130%0.3SS..EExtended strand (participates in β ladder)trans-118.3121.2174.9-59.8177.3000108.3R176 L177 Q178R176-I197 HydrophobicContact CB-CG2 4.2Å; L177-I197 CarbonylContact O-C 3.57Å; L177-I197 WeakPolarHBondContact O-CA 3.4Å; Q178-I197 HydrophobicContact CB-CG1 4.27Å; Q178-I197 HydrophobicContact CG-CG1 4.04Å
198L93.4Very high88.2Confident27 Ų2754.5 Ų54.514%0.14129%0.285CS..EExtended strand (participates in β ladder)trans-119.6116.9-178.4-61.9177000110.4F97 I99 R176 L177 V196 L200 W203 Y216F97-L198 HydrophobicContact CE2-CD1 3.86Å; F97-L198 HydrophobicContact CZ-CD1 3.64Å; I99-L198 HydrophobicContact CD1-CD1 3.85Å; R176-L198 CarbonylContact C-O 3.57Å; R176-L198 WeakPolarHBondContact CA-O 3.36Å; L177-L198 PolarHBondContact N-O 3.42Å; L177-L198 PolarHBondContact O-N 3.26Å; V196-L198 HydrophobicContact CG1-CD1 4.45Å; V196-L198 HydrophobicContact CG1-CD2 4.02Å; V196-L198 HydrophobicContact CG1-CG 3.98Å; L198-L200 PolarHBondContact O-N 3.37Å; L198-W203 HydrophobicContact CD1-CZ3 4.12Å; L198-Y216 HydrophobicContact CD1-CE1 3.96Å; L198-Y216 HydrophobicContact CD1-CE2 4.48Å; L198-Y216 HydrophobicContact CD2-CD1 4.26Å; L198-Y216 HydrophobicContact CD2-CE1 3.85Å
199P93.1Very high87.3Confident50 Ų5054.7 Ų54.733%0.32528%0.279SS..EExtended strand (participates in β ladder)trans-64.8123.4167.2-18.331.7000110.6R176 A201 M202R176-P199 HydrophobicContact CG-CB 4.4Å; P199-A201 PolarHBondContact O-N 3.43Å; P199-M202 HydrophobicContact CB-CE 4.13Å; P199-M202 HydrophobicContact CG-CE 3.92Å
200L91.8Very high86.1Confident0 Ų049.6 Ų49.60%026%0.261CS..G310 helixtrans-78.2-12.9-178.1-63.9-177.8000112.7I99 L108 L136 L172 R175 L177 L198 M202 W203 F205I99-L200 HydrophobicContact CD1-CD2 4.46Å; L108-L200 HydrophobicContact CD2-CD1 3.65Å; L136-L200 HydrophobicContact CD1-CD1 3.51Å; L172-L200 HydrophobicContact CD2-CD1 4Å; L172-L200 VanDerWaalsContact O-CB 3.28Å; L172-L200 WeakPolarHBondContact O-CB 3.48Å; R175-L200 HydrophobicContact CB-CD1 4.17Å; R175-L200 PolarHBondContact O-N 3.41Å; L177-L200 HydrophobicContact CB-CD2 3.99Å; L177-L200 HydrophobicContact CB-CG 4.33Å; L198-L200 PolarHBondContact O-N 3.37Å; L200-M202 PolarHBondContact O-N 3.22Å; L200-W203 PolarHBondContact O-N 2.83Å; L200-W203 VanDerWaalsContact O-N 3.15Å; L200-F205 HydrophobicContact CD2-CZ 4.32Å
201A87.5Confident84.9Confident55 Ų5547 Ų4746%0.45525%0.254SS..G310 helixtrans-57.8-29.6171.900000113.7M173 P199M173-A201 WeakPolarHBondContact O-CB 3.22Å; P199-A201 PolarHBondContact O-N 3.43Å
202M81Confident84.5Confident153 Ų15351.7 Ų51.775%0.75428%0.279SS*.G310 helixtrans-97.51.4-178.2-57.1-173.6-58.200112.4P199 L200P199-M202 HydrophobicContact CB-CE 4.13Å; P199-M202 HydrophobicContact CG-CE 3.92Å; L200-M202 PolarHBondContact O-N 3.22Å
203W84.3Confident84.3Confident27 Ų2753.1 Ų53.110%0.10229%0.292CS..  trans-89118-175.9-161.2-88.6000110.5I99 L198 L200 F205 A210 Y216I99-W203 HydrophobicContact CB-CH2 4.43Å; I99-W203 HydrophobicContact CB-CZ2 3.68Å; I99-W203 HydrophobicContact CD1-CD2 4.04Å; I99-W203 HydrophobicContact CD1-CE3 3.99Å; I99-W203 HydrophobicContact CD1-CH2 3.75Å; I99-W203 HydrophobicContact CD1-CZ2 3.79Å; I99-W203 HydrophobicContact CD1-CZ3 3.86Å; I99-W203 HydrophobicContact CG1-CH2 4.09Å; I99-W203 HydrophobicContact CG1-CZ2 3.83Å; I99-W203 PolarHBondContact O-NE1 3.44Å; L198-W203 HydrophobicContact CD1-CZ3 4.12Å; L200-W203 PolarHBondContact O-N 2.83Å; L200-W203 VanDerWaalsContact O-N 3.15Å; W203-F205 HydrophobicContact CB-CE1 4.49Å; W203-F205 HydrophobicContact CB-CE2 3.94Å; W203-F205 HydrophobicContact CB-CZ 3.93Å; W203-F205 AromaticContact CD1-CD1 3.49Å; W203-F205 VanDerWaalsContact CD1-CD1 3.49Å; W203-F205 AromaticContact CD1-CE1 3.35Å; W203-F205 AromaticContact CD1-CG 3.92Å; W203-F205 AromaticContact CD1-CZ 3.67Å; W203-F205 HydrophobicContact CG-CE1 4.12Å; W203-F205 HydrophobicContact CG-CE2 4.37Å; W203-F205 HydrophobicContact CG-CZ 4.03Å; W203-F205 VanDerWaalsContact O-CD2 3.32Å; W203-F205 WeakPolarHBondContact O-CD2 3.16Å; W203-F205 PolarHBondContact O-N 2.67Å; W203-A210 WeakPolarHBondContact CZ2-O 3.21Å; W203-Y216 WeakPolarHBondContact CH2-OH 3.06Å; W203-Y216 WeakPolarHBondContact CZ3-OH 3.4Å
204D82.5Confident84.2Confident87 Ų8758.1 Ų58.147%0.46531%0.311SS..  trans-80.799.8173.5-169.8-9.1000110.2K206 D207 A210D204-K206 PolarHBondContact O-N 2.68Å; D204-K206 WeakPolarHBondContact OD1-CA 3.15Å; D204-K206 WeakPolarHBondContact OD1-CB 3.19Å; D204-K206 PolarHBondContact OD1-N 3.03Å; D204-D207 HydrophobicContact CB-CB 4.1Å; D204-D207 PolarHBondContact OD1-N 3.08Å; D204-D207 WeakPolarHBondContact OD2-CB 3.13Å; D204-A210 VanDerWaalsContact O-CB 3.27Å; D204-A210 WeakPolarHBondContact O-CB 3.42Å
205F82.5Confident84.2Confident31 Ų3162.4 Ų62.414%0.13633%0.327CS..SBendtrans-74.7-12.5176.6-64.2-77.3000113.6I99 Y101 L108 L172 L200 W203 Q211I99-F205 HydrophobicContact CG2-CE1 4.05Å; Y101-F205 VanDerWaalsContact CB-CD1 3.46Å; L108-F205 HydrophobicContact CD1-CE1 3.5Å; L108-F205 HydrophobicContact CD1-CZ 3.89Å; L172-F205 HydrophobicContact CB-CE2 4.24Å; L172-F205 HydrophobicContact CD1-CD2 4.11Å; L172-F205 HydrophobicContact CD1-CE2 3.73Å; L172-F205 HydrophobicContact CD1-CZ 3.99Å; L172-F205 HydrophobicContact CD2-CZ 4.4Å; L172-F205 HydrophobicContact CG-CE2 4.47Å; L200-F205 HydrophobicContact CD2-CZ 4.32Å; W203-F205 HydrophobicContact CB-CE1 4.49Å; W203-F205 HydrophobicContact CB-CE2 3.94Å; W203-F205 HydrophobicContact CB-CZ 3.93Å; W203-F205 AromaticContact CD1-CD1 3.49Å; W203-F205 VanDerWaalsContact CD1-CD1 3.49Å; W203-F205 AromaticContact CD1-CE1 3.35Å; W203-F205 AromaticContact CD1-CG 3.92Å; W203-F205 AromaticContact CD1-CZ 3.67Å; W203-F205 HydrophobicContact CG-CE1 4.12Å; W203-F205 HydrophobicContact CG-CE2 4.37Å; W203-F205 HydrophobicContact CG-CZ 4.03Å; W203-F205 VanDerWaalsContact O-CD2 3.32Å; W203-F205 WeakPolarHBondContact O-CD2 3.16Å; W203-F205 PolarHBondContact O-N 2.67Å; F205-Q211 PolarHBondContact O-NE2 3.2Å
206K76.1Confident84.2Confident196 Ų19663.2 Ų63.285%0.85233%0.329SS*.SBendtrans-90.1-26.6179.3-63.7-177.6178.8-179.40112.3D204 S208D204-K206 PolarHBondContact O-N 2.68Å; D204-K206 WeakPolarHBondContact OD1-CA 3.15Å; D204-K206 WeakPolarHBondContact OD1-CB 3.19Å; D204-K206 PolarHBondContact OD1-N 3.03Å; K206-S208 PolarHBondContact O-N 2.84Å
207D74.3Confident84.3Confident56 Ų5665.8 Ų65.830%0.29935%0.346SS..  trans-75116176.8-179.312.6000111.6D204 T209 A210 Q211D204-D207 HydrophobicContact CB-CB 4.1Å; D204-D207 PolarHBondContact OD1-N 3.08Å; D204-D207 WeakPolarHBondContact OD2-CB 3.13Å; D207-T209 PolarHBondContact O-N 2.79Å; D207-T209 PolarHBondContact OD1-N 2.92Å; D207-T209 PolarHBondContact OD1-OG1 3.45Å; D207-T209 PolarHBondContact OD2-OG1 2.96Å; D207-A210 HydrophobicContact CB-CB 4.02Å; D207-A210 WeakPolarHBondContact O-CB 3.42Å; D207-A210 PolarHBondContact O-N 3.21Å; D207-A210 VanDerWaalsContact O-N 3.17Å; D207-Q211 PolarHBondContact O-N 2.7Å
208S66.7Low84.4Confident87 Ų8764.1 Ų64.161%0.60834%0.338SS*.THydrogen-bonded Turntrans-57.3-28.3174.260.80000113.6K206 Q211K206-S208 PolarHBondContact O-N 2.84Å; S208-Q211 WeakPolarHBondContact O-CB 3.5Å; S208-Q211 PolarHBondContact O-N 2.79Å
209T67.2Low84.5Confident71 Ų7171.2 Ų71.244%0.43636%0.363SS..THydrogen-bonded Turntrans-79.9-27.7179.482.60000112.8D207 Q211 N212 R214D207-T209 PolarHBondContact O-N 2.79Å; D207-T209 PolarHBondContact OD1-N 2.92Å; D207-T209 PolarHBondContact OD1-OG1 3.45Å; D207-T209 PolarHBondContact OD2-OG1 2.96Å; T209-Q211 PolarHBondContact O-N 2.78Å; T209-N212 PolarHBondContact O-N 2.78Å; T209-R214 PolarHBondContact O-NH2 2.69Å
210A63.4Low84.4Confident8 Ų872.1 Ų72.17%0.06638%0.375CS..THydrogen-bonded Turntrans-66.6-24.4170.700000111.8W203 D204 D207W203-A210 WeakPolarHBondContact CZ2-O 3.21Å; D204-A210 VanDerWaalsContact O-CB 3.27Å; D204-A210 WeakPolarHBondContact O-CB 3.42Å; D207-A210 HydrophobicContact CB-CB 4.02Å; D207-A210 WeakPolarHBondContact O-CB 3.42Å; D207-A210 PolarHBondContact O-N 3.21Å; D207-A210 VanDerWaalsContact O-N 3.17Å
211Q69.2Low84Confident55 Ų5577.3 Ų77.326%0.25740%0.397SS..THydrogen-bonded Turntrans-83.1-6.5178.3-70.6-169.828.500114.3A98 H100 F205 D207 S208 T209A98-Q211 WeakPolarHBondContact CB-O 3.08Å; H100-Q211 PolarHBondContact CE1-O 3.37Å; H100-Q211 WeakPolarHBondContact ND1-CB 3.39Å; H100-Q211 PolarHBondContact ND1-OE1 2.84Å; H100-Q211 PolarHBondContact NE2-O 2.74Å; F205-Q211 PolarHBondContact O-NE2 3.2Å; D207-Q211 PolarHBondContact O-N 2.7Å; S208-Q211 WeakPolarHBondContact O-CB 3.5Å; S208-Q211 PolarHBondContact O-N 2.79Å; T209-Q211 PolarHBondContact O-N 2.78Å
212N84.2Confident82.9Confident101 Ų10177.9 Ų77.954%0.5440%0.402SS..SBendtrans-70.5151.4173.7-71.4-26.5000111.1T209 R214T209-N212 PolarHBondContact O-N 2.78Å; N212-R214 PolarHBondContact O-N 3.35Å
213A91.7Very high81.5Confident36 Ų3677.9 Ų77.930%0.29840%0.4SS..  trans-64.7133.7173.900000110E96 F97 A98 K113E96-A213 HydrophobicContact CG-CB 3.92Å; F97-A213 WeakPolarHBondContact O-CA 3.37Å; A98-A213 HydrophobicContact CB-CB 4.18Å; K113-A213 HydrophobicContact CG-CB 3.93Å
214R93.7Very high79.8Confident104 Ų10485.3 Ų85.339%0.39243%0.433SS..EExtended strand (participates in β ladder)trans-128.5146.5-178.6-67176.6-176.3-173.3-3.2110.1E96 F97 T209 N212 Y216E96-R214 WeakPolarHBondContact CA-O 3.2Å; F97-R214 PolarHBondContact N-O 3.1Å; F97-R214 VanDerWaalsContact N-O 3.15Å; F97-R214 PolarHBondContact O-N 3.28Å; T209-R214 PolarHBondContact O-NH2 2.69Å; N212-R214 PolarHBondContact O-N 3.35Å; R214-Y216 HydrophobicContact CB-CE2 3.76Å; R214-Y216 VanDerWaalsContact O-CD2 3.27Å; R214-Y216 WeakPolarHBondContact O-CD2 3.46Å; R214-Y216 WeakPolarHBondContact O-CE2 3.46Å
215W97.1Very high77.9Confident91 Ų9190.3 Ų90.335%0.34545%0.447SS..EExtended strand (participates in β ladder)trans-80.1134.6172-7292.4000110.7E94 I95 E96 T114 K116E94-W215 HydrophobicContact CB-CE3 3.71Å; E94-W215 HydrophobicContact CB-CZ3 4.22Å; I95-W215 CarbonylContact O-C 3.57Å; I95-W215 WeakPolarHBondContact O-CA 3.47Å; E96-W215 HydrophobicContact CB-CD2 3.71Å; E96-W215 HydrophobicContact CB-CE3 3.79Å; E96-W215 HydrophobicContact CB-CG 4.35Å; E96-W215 HydrophobicContact CB-CH2 3.92Å; E96-W215 HydrophobicContact CB-CZ2 3.79Å; E96-W215 HydrophobicContact CB-CZ3 3.89Å; E96-W215 HydrophobicContact CG-CD2 4.21Å; E96-W215 HydrophobicContact CG-CG 4.43Å; E96-W215 HydrophobicContact CG-CZ2 4.35Å; E96-W215 PolarHBondContact OE1-NE1 3.36Å; T114-W215 HydrophobicContact CG2-CH2 3.48Å; T114-W215 VanDerWaalsContact CG2-CH2 3.48Å; T114-W215 HydrophobicContact CG2-CZ2 3.74Å; T114-W215 HydrophobicContact CG2-CZ3 4.44Å; K116-W215 HydrophobicContact CB-CH2 4.14Å; K116-W215 HydrophobicContact CB-CZ3 4.21Å; K116-W215 HydrophobicContact CD-CE3 4.19Å; K116-W215 HydrophobicContact CD-CH2 3.71Å; K116-W215 HydrophobicContact CD-CZ2 4.2Å; K116-W215 HydrophobicContact CD-CZ3 3.74Å; K116-W215 HydrophobicContact CG-CE3 4.31Å; K116-W215 HydrophobicContact CG-CH2 3.86Å; K116-W215 HydrophobicContact CG-CZ3 3.6Å
216Y97.2Very high76Confident31 Ų3191.4 Ų91.412%0.12245%0.452CS..EExtended strand (participates in β ladder)trans-126.7128.8175-65.3-87.7000109.8E94 I95 F97 V196 L198 W203 R214 L218E94-Y216 CarbonylContact C-O 3.35Å; E94-Y216 VanDerWaalsContact CA-O 3.27Å; E94-Y216 WeakPolarHBondContact CA-O 3.5Å; E94-Y216 WeakPolarHBondContact CB-O 3.35Å; I95-Y216 PolarHBondContact N-O 2.64Å; I95-Y216 PolarHBondContact O-N 3.23Å; F97-Y216 AromaticContact CD1-CD2 3.76Å; F97-Y216 HydrophobicContact CD1-CD2 3.76Å; F97-Y216 HydrophobicContact CD1-CE2 4.17Å; F97-Y216 AromaticContact CE1-CD2 3.2Å; F97-Y216 HydrophobicContact CE1-CD2 3.2Å; F97-Y216 AromaticContact CE1-CE2 3.7Å; F97-Y216 HydrophobicContact CE1-CE2 3.7Å; F97-Y216 AromaticContact CE1-CG 3.88Å; F97-Y216 HydrophobicContact CE1-CG 3.88Å; F97-Y216 HydrophobicContact CE2-CD2 4.42Å; F97-Y216 HydrophobicContact CE2-CE2 4.09Å; F97-Y216 AromaticContact CZ-CD2 3.6Å; F97-Y216 HydrophobicContact CZ-CD2 3.6Å; F97-Y216 AromaticContact CZ-CE2 3.65Å; F97-Y216 HydrophobicContact CZ-CE2 3.65Å; F97-Y216 HydrophobicContact CZ-CG 4.23Å; V196-Y216 HydrophobicContact CG1-CD1 3.91Å; V196-Y216 HydrophobicContact CG1-CG 3.98Å; L198-Y216 HydrophobicContact CD1-CE1 3.96Å; L198-Y216 HydrophobicContact CD1-CE2 4.48Å; L198-Y216 HydrophobicContact CD2-CD1 4.26Å; L198-Y216 HydrophobicContact CD2-CE1 3.85Å; W203-Y216 WeakPolarHBondContact CH2-OH 3.06Å; W203-Y216 WeakPolarHBondContact CZ3-OH 3.4Å; R214-Y216 HydrophobicContact CB-CE2 3.76Å; R214-Y216 VanDerWaalsContact O-CD2 3.27Å; R214-Y216 WeakPolarHBondContact O-CD2 3.46Å; R214-Y216 WeakPolarHBondContact O-CE2 3.46Å; Y216-L218 PolarHBondContact O-N 3.37Å
217P97.6Very high74.4Confident66 Ų6690.5 Ų90.543%0.42945%0.451SS..EExtended strand (participates in β ladder)trans-68.3133.4174.928.3-34000110.4
218L97.8Very high72.7Confident14 Ų1493.8 Ų93.87%0.07347%0.469CS..  trans-73.5135.9176.7-68172.5000110.1V91 G93 I95 L118 V181 V196 Y216V91-L218 HydrophobicContact CG1-CB 3.89Å; G93-L218 WeakPolarHBondContact O-CB 3.32Å; G93-L218 PolarHBondContact O-N 2.86Å; I95-L218 HydrophobicContact CB-CD2 4.22Å; I95-L218 HydrophobicContact CG2-CD2 3.77Å; I95-L218 HydrophobicContact CG2-CG 4.47Å; L118-L218 HydrophobicContact CD2-CD1 3.32Å; V181-L218 HydrophobicContact CB-CD1 4.36Å; V181-L218 HydrophobicContact CB-CD2 4.48Å; V181-L218 HydrophobicContact CG2-CD1 3.97Å; V181-L218 HydrophobicContact CG2-CD2 3.65Å; V181-L218 HydrophobicContact CG2-CG 4.49Å; V196-L218 HydrophobicContact CG2-CD2 4.22Å; Y216-L218 PolarHBondContact O-N 3.37Å
219R95Very high71.8Confident177 Ų17793.7 Ų93.767%0.66846%0.46SS*.BIsolated β-bridgetrans-116.6148.2179.4-61.9-176.5-179179-0.5111.2G194 E195G194-R219 CarbonylContact C-O 3.55Å; G194-R219 VanDerWaalsContact CA-O 3.24Å; G194-R219 WeakPolarHBondContact CA-O 3.28Å; E195-R219 PolarHBondContact N-O 2.9Å; E195-R219 PolarHBondContact O-N 3.4Å
220A91.4Very high71Confident69 Ų6994 Ų9457%0.5746%0.464SS*.  trans-61.1149.1166.600000109.9V91 A222V91-A220 HydrophobicContact CB-CB 4.43Å; V91-A220 HydrophobicContact CG2-CB 4.15Å; A220-A222 PolarHBondContact O-N 2.89Å
221K82.8Confident70.8Confident109 Ų10997.9 Ų97.947%0.47448%0.48SS..  trans-62.9123.2176.3-167.6175.5-174.3-176.50108F192 E223F192-K221 HydrophobicContact CE1-CB 4.03Å; F192-K221 HydrophobicContact CZ-CB 4.16Å; K221-E223 PolarHBondContact O-N 3.44Å
222A65.6Low70.9Confident67 Ų6798.1 Ų98.155%0.55448%0.483SS*.  trans-62.4112175.300000108.4A220 K224A220-A222 PolarHBondContact O-N 2.89Å; A222-K224 PolarHBondContact O-N 3.01Å
223E51.6Low70.8Confident153 Ų15394 Ų9472%0.71546%0.461SS*.SBendtrans-61.6120.5175.4-66.6-174.6168.900108.9K221 Y225K221-E223 PolarHBondContact O-N 3.44Å; E223-Y225 PolarHBondContact O-N 3.14Å; E223-Y225 VanDerWaalsContact O-N 3.14Å
224K48.1Very low70.5Confident182 Ų18292.2 Ų92.279%0.79145%0.447SS*.SBendtrans70.40.3157.7-58.4179179.6176.90120.2A222A222-K224 PolarHBondContact O-N 3.01Å
225Y42.3Very low70.3Confident193 Ų19389.4 Ų89.476%0.75744%0.438SS*.  trans-91.1-19.2-179.9-87.6-89.2000116.2E223E223-Y225 PolarHBondContact O-N 3.14Å; E223-Y225 VanDerWaalsContact O-N 3.14Å
226E43.7Very low70.2Confident53 Ų5385.1 Ų85.125%0.24842%0.422CS..G310 helixtrans-83.2-8.6-175.3-73.6-138.3160.300115.9R140 R176 N228R140-E226 IonicContact NH2-OE2 2.69Å; R176-E226 IonicContact CZ-OE1 2.68Å; R176-E226 IonicContact CZ-OE2 2.95Å; R176-E226 VanDerWaalsContact NH1-CD 3.31Å; R176-E226 IonicContact NH1-OE1 3.64Å; R176-E226 PolarHBondContact NH1-OE1 3.08Å; R176-E226 IonicContact NH1-OE2 2.79Å; R176-E226 PolarHBondContact NH1-OE2 3.01Å; R176-E226 IonicContact NH2-OE1 2.69Å; R176-E226 IonicContact NH2-OE2 3.91Å; R176-E226 PolarHBondContact NH2-OE2 3.19Å; E226-N228 PolarHBondContact O-N 2.97Å
227E41.5Very low70.1Confident177 Ų17784.9 Ų84.983%0.82743%0.427SS*.G310 helixtrans-72.4-12.8173.9-73.1-178.2178.400112.6
228N39.2Very low70Confident126 Ų12681.8 Ų81.867%0.67441%0.407SS*.G310 helixtrans-101.31.9-178.3-68.9-49.4000114.7E226 P230E226-N228 PolarHBondContact O-N 2.97Å; N228-P230 WeakPolarHBondContact O-CD 3.38Å
229I48Very low69.9Low85 Ų8585.4 Ų85.444%0.43642%0.419SS..SBendtrans-80.2119.2168.9-55.9175.3000106.3Q231I229-Q231 PolarHBondContact O-N 2.85Å
230P49.8Very low69.9Low77 Ų7777 Ų7750%0.539%0.388SS..  trans-56.4106.4176.720-28.9000108.4N228 N232N228-P230 WeakPolarHBondContact O-CD 3.38Å; P230-N232 PolarHBondContact O-N 2.99Å
231Q59.1Low70Confident89 Ų8976 Ų7642%0.41637%0.371SS..  trans-62.7122.5176.5-69.3-180-11.400106I229 H393I229-Q231 PolarHBondContact O-N 2.85Å; Q231-H393 WeakPolarHBondContact O-CA 3.45Å; Q231-H393 PolarHBondContact O-ND1 2.83Å
232N71.3Confident70.5Confident60 Ų6070.9 Ų70.932%0.32135%0.348SS..  trans-96.598.4170.2-176.5-13000106.8P230 G234 V391P230-N232 PolarHBondContact O-N 2.99Å; N232-G234 PolarHBondContact O-N 3.19Å; N232-G234 PolarHBondContact OD1-N 2.81Å; N232-G234 PolarHBondContact OD1-O 2.91Å; N232-V391 HydrophobicContact CB-CG1 4.43Å
233N81.6Confident71.7Confident14 Ų1469.5 Ų69.58%0.07533%0.333CS..  trans-88.512.6-179.7-73.7-23.5000112.6P138 P276 L350 L392 H393P138-N233 WeakPolarHBondContact CG-OD1 3.41Å; N233-P276 WeakPolarHBondContact O-CD 3.07Å; N233-L350 WeakPolarHBondContact CB-O 3.5Å; N233-L392 HydrophobicContact CB-CB 4.14Å; N233-L392 PolarHBondContact N-O 3.19Å; N233-H393 PolarHBondContact ND2-O 3.1Å; N233-H393 VanDerWaalsContact ND2-O 3.09Å; N233-H393 PolarHBondContact ND2-OXT 3.44Å
234G85.8Confident73.3Confident0 Ų064.2 Ų64.20%031%0.31CS..  trans117.2-172.5179.300000112.4N232 K273 L392N232-G234 PolarHBondContact O-N 3.19Å; N232-G234 PolarHBondContact OD1-N 2.81Å; N232-G234 PolarHBondContact OD1-O 2.91Å; G234-K273 CarbonylContact C-O 3.54Å; G234-K273 VanDerWaalsContact CA-O 3.31Å; G234-K273 WeakPolarHBondContact CA-O 3.2Å; G234-L392 WeakPolarHBondContact O-CB 3.27Å; G234-L392 PolarHBondContact O-N 3.46Å
235E90.4Very high74.9Confident45 Ų4558.6 Ų58.621%0.2129%0.291CS..EExtended strand (participates in β ladder)trans-125.2136.2-178.7-63.1167.3-155.500110.3A272 K273 T389 L390E235-A272 CarbonylContact O-C 3.57Å; E235-A272 WeakPolarHBondContact O-CA 3.35Å; E235-A272 WeakPolarHBondContact O-CB 3.32Å; E235-K273 HydrophobicContact CB-CG 4.05Å; E235-K273 PolarHBondContact N-O 3.26Å; E235-K273 PolarHBondContact O-N 3.24Å; E235-K273 WeakPolarHBondContact OE2-CE 3.41Å; E235-K273 IonicContact OE2-NZ 2.65Å; E235-K273 PolarHBondContact OE2-NZ 2.86Å; E235-T389 HydrophobicContact CB-CG2 3.89Å; E235-T389 HydrophobicContact CG-CG2 4.23Å; E235-L390 CarbonylContact C-O 3.59Å; E235-L390 VanDerWaalsContact CA-O 3.29Å; E235-L390 WeakPolarHBondContact CA-O 3.34Å
236L94.1Very high76Confident0 Ų053.9 Ų53.90%029%0.292CS..EExtended strand (participates in β ladder)trans-109118.1175-173.869.6000109.5V238 V269 A272 V287 W314 L335 V337 L390 L392L236-V238 HydrophobicContact CD2-CG1 3.95Å; L236-V238 HydrophobicContact CG-CG1 3.86Å; L236-V269 HydrophobicContact CD1-CG1 3.94Å; L236-A272 HydrophobicContact CD1-CB 3.96Å; L236-V287 HydrophobicContact CD1-CG2 4.36Å; L236-W314 HydrophobicContact CD1-CZ3 3.92Å; L236-L335 HydrophobicContact CD2-CB 3.99Å; L236-L335 HydrophobicContact CD2-CD1 3.95Å; L236-V337 HydrophobicContact CD1-CG2 4.04Å; L236-V337 HydrophobicContact CD2-CG2 4.28Å; L236-L390 HydrophobicContact CB-CB 4.43Å; L236-L390 PolarHBondContact N-O 2.64Å; L236-L390 PolarHBondContact O-N 3.04Å; L236-L392 HydrophobicContact CB-CD1 4.27Å; L236-L392 HydrophobicContact CB-CD2 4.01Å; L236-L392 HydrophobicContact CB-CG 4.16Å; L236-L392 HydrophobicContact CD2-CD2 4.47Å
237A94.7Very high76.8Confident27 Ų2753.4 Ų53.422%0.22330%0.302CS..EExtended strand (participates in β ladder)trans-88.3124.4174.700000110L270 G271A237-L270 HydrophobicContact CB-CB 4.18Å; A237-L270 HydrophobicContact CB-CD1 4.38Å; A237-L270 WeakPolarHBondContact O-CB 3.08Å; A237-L270 PolarHBondContact O-N 3.42Å; A237-G271 PolarHBondContact N-O 2.71Å
238V95.9Very high77.3Confident1 Ų150.5 Ų50.51%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-136.2157.7-179.5-55.80000111.4L236 L267 V268 L335 M388 L390L236-V238 HydrophobicContact CD2-CG1 3.95Å; L236-V238 HydrophobicContact CG-CG1 3.86Å; V238-L267 HydrophobicContact CB-CD1 4.03Å; V238-L267 HydrophobicContact CG2-CD1 4.25Å; V238-V268 CarbonylContact C-O 3.44Å; V238-V268 VanDerWaalsContact CA-O 3.3Å; V238-V268 WeakPolarHBondContact CA-O 3.42Å; V238-L335 HydrophobicContact CG1-CD1 3.99Å; V238-M388 HydrophobicContact CG2-CB 3.96Å; V238-M388 HydrophobicContact CG2-CE 3.77Å; V238-M388 PolarHBondContact N-O 2.66Å; V238-M388 PolarHBondContact O-N 3Å; V238-L390 HydrophobicContact CG1-CD1 4.34Å; V238-L390 HydrophobicContact CG2-CD1 3.87Å; V238-L390 HydrophobicContact CG2-CG 4.11Å
239R95.3Very high77.7Confident89 Ų8956.2 Ų56.234%0.33631%0.311SS..EExtended strand (participates in β ladder)trans-130.3129.2172.4169.2-176.9-65.9175.3-0.1108.9L267 V268 L270 W385 T386 D387R239-L267 CarbonylContact O-C 3.54Å; R239-L267 WeakPolarHBondContact O-CA 3Å; R239-V268 HydrophobicContact CB-CB 4.36Å; R239-V268 PolarHBondContact N-O 3.21Å; R239-V268 PolarHBondContact O-N 3.43Å; R239-L270 HydrophobicContact CB-CD1 4.49Å; R239-W385 HydrophobicContact CG-CB 4.01Å; R239-W385 HydrophobicContact CG-CD2 3.89Å; R239-W385 HydrophobicContact CG-CE3 3.32Å; R239-W385 HydrophobicContact CG-CG 4.23Å; R239-W385 HydrophobicContact CG-CZ3 3.96Å; R239-T386 CarbonylContact C-O 3.59Å; R239-T386 VanDerWaalsContact CA-O 3.32Å; R239-T386 WeakPolarHBondContact CA-O 3.38Å; R239-D387 WeakPolarHBondContact CB-OD1 3.42Å; R239-D387 WeakPolarHBondContact CD-OD1 3.15Å; R239-D387 WeakPolarHBondContact CG-OD1 3.43Å; R239-D387 IonicContact CZ-OD1 3.43Å; R239-D387 IonicContact CZ-OD2 3.64Å; R239-D387 IonicContact NE-OD1 2.64Å; R239-D387 PolarHBondContact NE-OD1 2.75Å; R239-D387 IonicContact NE-OD2 3.61Å; R239-D387 IonicContact NH2-OD1 3.38Å; R239-D387 PolarHBondContact NH2-OD1 2.75Å; R239-D387 IonicContact NH2-OD2 2.8Å; R239-D387 PolarHBondContact NH2-OD2 3.21Å
240A95.2Very high77.4Confident2 Ų260.1 Ų60.12%0.01732%0.324CS..EExtended strand (participates in β ladder)trans-124.5149.4-176.800000112C266 L267 V378 T386 M388A240-C266 CarbonylContact C-O 3.52Å; A240-C266 VanDerWaalsContact CA-O 3.31Å; A240-C266 WeakPolarHBondContact CA-O 3.47Å; A240-L267 HydrophobicContact CB-CD1 3.86Å; A240-V378 HydrophobicContact CB-CG1 3.84Å; A240-V378 HydrophobicContact CB-CG2 3.75Å; A240-T386 PolarHBondContact N-O 2.77Å; A240-T386 PolarHBondContact O-N 2.8Å; A240-M388 HydrophobicContact CB-CE 3.67Å
241K93.8Very high76.9Confident48 Ų4862.7 Ų62.721%0.20934%0.341CS..EExtended strand (participates in β ladder)trans-147.5128.3177.2171.4173.3175.8161.40109.9V243 C266 N383 W385K241-V243 HydrophobicContact CD-CG2 4.3Å; K241-V243 HydrophobicContact CG-CG2 4.08Å; K241-C266 HydrophobicContact CB-CB 4.47Å; K241-C266 PolarHBondContact N-O 3.17Å; K241-C266 PolarHBondContact O-N 3.24Å; K241-N383 VanDerWaalsContact CE-C 3.44Å; K241-N383 WeakPolarHBondContact CE-O 3.11Å; K241-N383 PolarHBondContact NZ-O 3.45Å; K241-W385 HydrophobicContact CB-CD2 3.68Å; K241-W385 HydrophobicContact CB-CE3 3.27Å; K241-W385 HydrophobicContact CB-CG 4.38Å; K241-W385 HydrophobicContact CB-CH2 4.21Å; K241-W385 HydrophobicContact CB-CZ2 4.49Å; K241-W385 HydrophobicContact CB-CZ3 3.59Å; K241-W385 HydrophobicContact CD-CD2 3.81Å; K241-W385 HydrophobicContact CD-CE3 4.26Å; K241-W385 HydrophobicContact CD-CG 4.17Å; K241-W385 HydrophobicContact CD-CZ2 4.13Å; K241-W385 HydrophobicContact CG-CD2 4.38Å; K241-W385 HydrophobicContact CG-CE3 4.39Å
242L92.6Very high75.8Confident0 Ų066.8 Ų66.80%036%0.36CS..EExtended strand (participates in β ladder)trans-89.9113.8167.7176.856.8000109L244 L328 L379 N383L242-L244 HydrophobicContact CD1-CD2 4.17Å; L242-L244 HydrophobicContact CD2-CD2 4.3Å; L242-L244 HydrophobicContact CD2-CG 4.43Å; L242-L244 HydrophobicContact CG-CD2 4.11Å; L242-L244 HydrophobicContact CG-CG 4.16Å; L242-L328 HydrophobicContact CD1-CD1 3.45Å; L242-L328 VanDerWaalsContact CD1-CD1 3.45Å; L242-L328 HydrophobicContact CD2-CD1 4.13Å; L242-L328 HydrophobicContact CG-CD1 4.37Å; L242-L379 HydrophobicContact CD2-CD2 4.02Å; L242-N383 PolarHBondContact O-N 3.27Å
243V91.4Very high74.2Confident38 Ų3873.4 Ų73.423%0.2339%0.389CS..EExtended strand (participates in β ladder)trans-92.4118.3174.7-1730000108.3K241 G263 Q264 N383K241-V243 HydrophobicContact CD-CG2 4.3Å; K241-V243 HydrophobicContact CG-CG2 4.08Å; V243-G263 CarbonylContact O-C 3.45Å; V243-G263 WeakPolarHBondContact O-CA 3.42Å; V243-Q264 HydrophobicContact CB-CB 4.24Å; V243-Q264 PolarHBondContact N-O 2.86Å; V243-Q264 PolarHBondContact O-N 3.21Å; V243-N383 WeakPolarHBondContact CA-OD1 3.3Å
244L86.7Confident72.1Confident43 Ų4377.6 Ų77.623%0.22543%0.425CS..  trans-108.6134.6171.8-62.7176.4000108.5L242 A246 S325 P382 N383L242-L244 HydrophobicContact CD1-CD2 4.17Å; L242-L244 HydrophobicContact CD2-CD2 4.3Å; L242-L244 HydrophobicContact CD2-CG 4.43Å; L242-L244 HydrophobicContact CG-CD2 4.11Å; L242-L244 HydrophobicContact CG-CG 4.16Å; L244-A246 PolarHBondContact O-N 2.94Å; L244-S325 WeakPolarHBondContact CD2-OG 3.43Å; L244-P382 HydrophobicContact CD1-CB 3.81Å; L244-P382 HydrophobicContact CD1-CG 4.43Å; L244-P382 HydrophobicContact CG-CB 4.25Å; L244-N383 PolarHBondContact N-OD1 2.74Å
245P80.1Confident69.7Low63 Ų6386.6 Ų86.641%0.40947%0.468SS..PPolyproline II helixtrans-58.1129.9174.723.2-30.6000109G247 L261 N262P245-G247 PolarHBondContact O-N 3.11Å; P245-L261 HydrophobicContact CG-CB 4.36Å; P245-L261 HydrophobicContact CG-CD2 3.95Å; P245-N262 WeakPolarHBondContact CD-O 3.46Å
246A65.9Low66.8Low94 Ų9494.2 Ų94.278%0.77750%0.503SS*.PPolyproline II helixtrans-60.3122.1171.900000107.7L244L244-A246 PolarHBondContact O-N 2.94Å
247G61.4Low63.9Low43 Ų4396.7 Ų96.744%0.44353%0.529SS..PPolyproline II helixtrans-54156.4-177.500000112.5P245 R249P245-G247 PolarHBondContact O-N 3.11Å; G247-R249 PolarHBondContact O-N 3.47Å
248P50.7Low61Low117 Ų117105 Ų10576%0.7656%0.563SS**PPolyproline II helixtrans-58.5124.7179.122.9-30.7000109.8K250P248-K250 PolarHBondContact O-N 2.79Å
249R47.8Very low58.3Low246 Ų246112.7 Ų112.793%0.92860%0.603SS**SBendtrans-70.216.3177.9-71.2-179.5174.7158.8-2.5113.7G247G247-R249 PolarHBondContact O-N 3.47Å
250K42.1Very low56.3Low166 Ų166111.1 Ų111.172%0.72261%0.609SS**SBendtrans-139.7120.9177.4-73-173.1177.4-177.60110P248 Q252P248-K250 PolarHBondContact O-N 2.79Å; K250-Q252 PolarHBondContact O-N 3.01Å; K250-Q252 VanDerWaalsContact O-N 3.15Å
251P38.4Very low54.7Low131 Ų131116 Ų11685%0.85164%0.635SS**  trans-82.783.1172.432.3-28.5000108.3
252Q37.4Very low54Low176 Ų176118.7 Ų118.782%0.82265%0.651SS**SBendtrans-154.6121.7168.3-105.4158.230.900107.2K250K250-Q252 PolarHBondContact O-N 3.01Å; K250-Q252 VanDerWaalsContact O-N 3.15Å
253E36.7Very low53.7Low199 Ų199118.8 Ų118.893%0.9365%0.652SS**  trans75.253.8178.8-55.7-179.2172.800116.8
254A37.1Very low53.7Low101 Ų101120.9 Ų120.984%0.83566%0.659SS**  trans-92.892.7154.500000108.4E256A254-E256 PolarHBondContact O-N 3.09Å
255Q35.7Very low54.1Low190 Ų190118.9 Ų118.989%0.88865%0.649SS**  trans-59.4126.3165.2-138.2167.746.700107.8G257Q255-G257 PolarHBondContact O-N 3.01Å
256E29.8Very low54.8Low204 Ų204117 Ų11795%0.95364%0.636SS**SBendtrans-55.3101.4179.4-73.1177.4135.700110.7A254A254-E256 PolarHBondContact O-N 3.09Å
257G32.8Very low56.2Low52 Ų52112.5 Ų112.554%0.53660%0.6SS.*SBendtrans-176.787.8177.500000109.5Q255 L259Q255-G257 PolarHBondContact O-N 3.01Å; G257-L259 VanDerWaalsContact C-N 3.31Å; G257-L259 PolarHBondContact O-N 2.92Å
258Q34.2Very low57.9Low202 Ų202111.5 Ų111.594%0.94459%0.585SS**  trans-10.671169.1-68.6170-17.200116.6A260Q258-A260 VanDerWaalsContact C-N 3.31Å; Q258-A260 PolarHBondContact O-N 2.85Å
259L40.3Very low60Low162 Ų162105.9 Ų105.985%0.84855%0.549SS*.  trans-79.488.2168.9-80.2160.6000106.7G257 L261G257-L259 VanDerWaalsContact C-N 3.31Å; G257-L259 PolarHBondContact O-N 2.92Å; L259-L261 PolarHBondContact O-N 3.5Å
260A52.9Low62.3Low57 Ų5797 Ų9747%0.47152%0.519SS..  trans-50110.416800000107.7Q258 N262Q258-A260 VanDerWaalsContact C-N 3.31Å; Q258-A260 PolarHBondContact O-N 2.85Å; A260-N262 PolarHBondContact O-N 3.26Å; A260-N262 PolarHBondContact O-OD1 3.15Å
261L61.4Low64.8Low105 Ų10589.5 Ų89.555%0.5549%0.489SS..  trans-57.2101.8-179.5-75.6155.1000108.2P245 L259 G263P245-L261 HydrophobicContact CG-CB 4.36Å; P245-L261 HydrophobicContact CG-CD2 3.95Å; L259-L261 PolarHBondContact O-N 3.5Å; L261-G263 PolarHBondContact O-N 3.04Å
262N78.8Confident67.4Low104 Ų10483.6 Ų83.656%0.55645%0.451SS*.  trans-68.5113.4179.8-75.2-22.4000108.3P245 A260P245-N262 WeakPolarHBondContact CD-O 3.46Å; A260-N262 PolarHBondContact O-N 3.26Å; A260-N262 PolarHBondContact O-OD1 3.15Å
263G86.7Confident69.8Low1 Ų179.9 Ų79.91%0.0143%0.432CS..EExtended strand (participates in β ladder)trans-97-17517600000112.9V243 L261 G322 V323V243-G263 CarbonylContact O-C 3.45Å; V243-G263 WeakPolarHBondContact O-CA 3.42Å; L261-G263 PolarHBondContact O-N 3.04Å; G263-G322 PolarHBondContact O-N 3.08Å; G263-V323 CarbonylContact C-O 3.56Å; G263-V323 VanDerWaalsContact CA-O 3.27Å; G263-V323 WeakPolarHBondContact CA-O 3.2Å; G263-V323 PolarHBondContact N-O 3.2Å; G263-V323 PolarHBondContact O-N 3.06Å; G263-V323 VanDerWaalsContact O-N 3.14Å
264Q91.8Very high72.1Confident83 Ų8372.3 Ų72.339%0.38840%0.398SS..EExtended strand (participates in β ladder)trans-126.4130.7172.2-56175.6-59.400109.4V243 V319 F320 N321V243-Q264 HydrophobicContact CB-CB 4.24Å; V243-Q264 PolarHBondContact N-O 2.86Å; V243-Q264 PolarHBondContact O-N 3.21Å; Q264-V319 HydrophobicContact CB-CG1 4.3Å; Q264-F320 WeakPolarHBondContact CA-O 3.27Å; Q264-N321 PolarHBondContact NE2-OD1 3.21Å
265L93.5Very high74.5Confident1 Ų167.5 Ų67.51%0.00536%0.359CS..EExtended strand (participates in β ladder)trans-94.5110.6168.2177.969.3000108.7L291 F320 V323 L328 W375 V378L265-L291 HydrophobicContact CD2-CD2 4.32Å; L265-F320 HydrophobicContact CB-CB 4.26Å; L265-F320 HydrophobicContact CB-CD2 4.32Å; L265-F320 HydrophobicContact CD2-CD2 4Å; L265-F320 HydrophobicContact CG-CD2 4.29Å; L265-F320 PolarHBondContact N-O 3.33Å; L265-F320 PolarHBondContact O-N 3.38Å; L265-V323 HydrophobicContact CB-CG2 4.06Å; L265-L328 HydrophobicContact CB-CD1 4.47Å; L265-L328 HydrophobicContact CD2-CD2 4.13Å; L265-W375 HydrophobicContact CD2-CH2 3.66Å; L265-W375 HydrophobicContact CD2-CZ3 4.19Å; L265-V378 HydrophobicContact CD1-CG1 4.16Å
266C94.5Very high76.8Confident22 Ų2259 Ų5915%0.14932%0.32CS..EExtended strand (participates in β ladder)trans-95.2128175-62.10000109.5A240 K241 W385A240-C266 CarbonylContact C-O 3.52Å; A240-C266 VanDerWaalsContact CA-O 3.31Å; A240-C266 WeakPolarHBondContact CA-O 3.47Å; K241-C266 HydrophobicContact CB-CB 4.47Å; K241-C266 PolarHBondContact N-O 3.17Å; K241-C266 PolarHBondContact O-N 3.24Å; C266-W385 HydrophobicContact CB-CH2 3.96Å; C266-W385 HydrophobicContact CB-CZ3 4.2Å
267L95.8Very high79.2Confident1 Ų150.1 Ų50.11%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-128.9121.9177.2-179.373.5000109.7V238 R239 A240 V269 S317 F318 L333 L335V238-L267 HydrophobicContact CB-CD1 4.03Å; V238-L267 HydrophobicContact CG2-CD1 4.25Å; R239-L267 CarbonylContact O-C 3.54Å; R239-L267 WeakPolarHBondContact O-CA 3Å; A240-L267 HydrophobicContact CB-CD1 3.86Å; L267-V269 HydrophobicContact CD2-CG2 4.49Å; L267-S317 CarbonylContact O-C 3.59Å; L267-S317 WeakPolarHBondContact O-CA 3.41Å; L267-F318 HydrophobicContact CB-CB 4.38Å; L267-F318 HydrophobicContact CD2-CD2 4.2Å; L267-F318 PolarHBondContact N-O 2.81Å; L267-F318 PolarHBondContact O-N 3.16Å; L267-L333 HydrophobicContact CD2-CD2 4.01Å; L267-L335 HydrophobicContact CD2-CD1 4.04Å; L267-L335 HydrophobicContact CD2-CD2 3.6Å; L267-L335 HydrophobicContact CD2-CG 4.42Å
268V96.6Very high81.5Confident21 Ų2149 Ų4913%0.12726%0.259CS..EExtended strand (participates in β ladder)trans-103.5116.5173.6-172.10000108.6V238 R239 L270 H316 W385V238-V268 CarbonylContact C-O 3.44Å; V238-V268 VanDerWaalsContact CA-O 3.3Å; V238-V268 WeakPolarHBondContact CA-O 3.42Å; R239-V268 HydrophobicContact CB-CB 4.36Å; R239-V268 PolarHBondContact N-O 3.21Å; R239-V268 PolarHBondContact O-N 3.43Å; V268-L270 HydrophobicContact CG1-CD2 3.86Å; V268-L270 PolarHBondContact O-N 3.31Å; V268-H316 WeakPolarHBondContact CA-O 3.34Å; V268-W385 HydrophobicContact CG2-CH2 3.66Å; V268-W385 HydrophobicContact CG2-CZ3 3.82Å
269V96.4Very high83.2Confident0 Ų041.5 Ų41.50%023%0.229CC..EExtended strand (participates in β ladder)trans-86.2107.5172.3-1780000107.9L236 L267 V287 W314 K315 H316 F318L236-V269 HydrophobicContact CD1-CG1 3.94Å; L267-V269 HydrophobicContact CD2-CG2 4.49Å; V269-V287 HydrophobicContact CG1-CB 4.35Å; V269-V287 HydrophobicContact CG1-CG1 4.4Å; V269-V287 HydrophobicContact CG1-CG2 3.94Å; V269-V287 HydrophobicContact CG2-CG1 4.34Å; V269-W314 HydrophobicContact CG1-CD2 4.47Å; V269-W314 HydrophobicContact CG1-CE3 3.84Å; V269-W314 HydrophobicContact CG1-CZ3 4.44Å; V269-K315 CarbonylContact O-C 3.59Å; V269-K315 WeakPolarHBondContact O-CA 3.42Å; V269-K315 PolarHBondContact O-N 3.28Å; V269-H316 PolarHBondContact N-O 3.35Å; V269-H316 PolarHBondContact O-N 2.78Å; V269-F318 HydrophobicContact CG2-CD2 3.93Å; V269-F318 HydrophobicContact CG2-CE2 3.63Å
270L95.6Very high84.9Confident59 Ų5938 Ų3831%0.30921%0.211SC..EExtended strand (participates in β ladder)trans-78.5-53.5-172.9-60172.1000110.8A237 R239 V268 Q313 W314 K315A237-L270 HydrophobicContact CB-CB 4.18Å; A237-L270 HydrophobicContact CB-CD1 4.38Å; A237-L270 WeakPolarHBondContact O-CB 3.08Å; A237-L270 PolarHBondContact O-N 3.42Å; R239-L270 HydrophobicContact CB-CD1 4.49Å; V268-L270 HydrophobicContact CG1-CD2 3.86Å; V268-L270 PolarHBondContact O-N 3.31Å; L270-Q313 CarbonylContact O-C 3.53Å; L270-Q313 WeakPolarHBondContact O-CA 3.43Å; L270-W314 PolarHBondContact O-N 2.9Å; L270-K315 PolarHBondContact O-N 2.67Å; L270-K315 VanDerWaalsContact O-N 3.12Å
271G94.4Very high85.9Confident9 Ų936.1 Ų36.19%0.09320%0.197CC..EExtended strand (participates in β ladder)trans176.4175.9-176.600000112.3A237 P312A237-G271 PolarHBondContact N-O 2.71Å; G271-P312 CarbonylContact C-O 3.56Å; G271-P312 WeakPolarHBondContact CA-O 3.22Å
272A93.3Very high86.9Confident7 Ų732.5 Ų32.56%0.05818%0.18CC..EExtended strand (participates in β ladder)trans-133.7153.117500000111.9E235 L236 L275 P312 W314E235-A272 CarbonylContact O-C 3.57Å; E235-A272 WeakPolarHBondContact O-CA 3.35Å; E235-A272 WeakPolarHBondContact O-CB 3.32Å; L236-A272 HydrophobicContact CD1-CB 3.96Å; A272-L275 HydrophobicContact CB-CD1 3.7Å; A272-L275 HydrophobicContact CB-CD2 4.06Å; A272-L275 HydrophobicContact CB-CG 3.9Å; A272-P312 HydrophobicContact CB-CG 4.24Å; A272-P312 PolarHBondContact N-O 2.99Å; A272-W314 HydrophobicContact CB-CH2 3.93Å; A272-W314 HydrophobicContact CB-CZ3 3.66Å
273K88.7Confident87.3Confident97 Ų9727.6 Ų27.642%0.42215%0.153SC..EExtended strand (participates in β ladder)trans-135.7157.6179.545.4171.7163.9145.90110.1G234 E235 L275G234-K273 CarbonylContact C-O 3.54Å; G234-K273 VanDerWaalsContact CA-O 3.31Å; G234-K273 WeakPolarHBondContact CA-O 3.2Å; E235-K273 HydrophobicContact CB-CG 4.05Å; E235-K273 PolarHBondContact N-O 3.26Å; E235-K273 PolarHBondContact O-N 3.24Å; E235-K273 WeakPolarHBondContact OE2-CE 3.41Å; E235-K273 IonicContact OE2-NZ 2.65Å; E235-K273 PolarHBondContact OE2-NZ 2.86Å; K273-L275 PolarHBondContact O-N 2.89Å
274N84.2Confident87.5Confident41 Ų4128.2 Ų28.222%0.21916%0.156CC..SBendtrans60.321.6-180-57.2-26.8000115.4R175R175-N274 PolarHBondContact NH2-O 3.42Å
275L87Confident87.6Confident0 Ų024.2 Ų24.20%014%0.138CC..  trans-64.5148.2176.8-65.7179000111.8Q171 R175 A272 K273 V277 L283 P312 V337 L350 L392Q171-L275 PolarHBondContact NE2-O 2.86Å; Q171-L275 PolarHBondContact OE1-O 2.84Å; R175-L275 PolarHBondContact NH2-O 3.41Å; A272-L275 HydrophobicContact CB-CD1 3.7Å; A272-L275 HydrophobicContact CB-CD2 4.06Å; A272-L275 HydrophobicContact CB-CG 3.9Å; K273-L275 PolarHBondContact O-N 2.89Å; L275-V277 PolarHBondContact O-N 2.82Å; L275-L283 HydrophobicContact CB-CD1 3.86Å; L275-L283 HydrophobicContact CD1-CD1 4.03Å; L275-P312 HydrophobicContact CD1-CG 3.77Å; L275-V337 HydrophobicContact CD1-CG1 4.06Å; L275-V337 HydrophobicContact CD2-CG1 4.25Å; L275-L350 HydrophobicContact CD1-CD1 4.23Å; L275-L392 HydrophobicContact CD2-CD1 3.42Å; L275-L392 VanDerWaalsContact CD2-CD1 3.42Å
276P83.5Confident87.7Confident12 Ų1224.2 Ų24.28%0.07814%0.138CC..  trans-68.798.5170.725.3-29.9000109.8D139 N233 R348 L350D139-P276 HydrophobicContact CB-CB 4.38Å; N233-P276 WeakPolarHBondContact O-CD 3.07Å; P276-R348 PolarHBondContact O-NH2 3.02Å; P276-L350 HydrophobicContact CG-CB 4.32Å; P276-L350 HydrophobicContact CG-CD2 3.99Å; P276-L350 VanDerWaalsContact O-CD2 3.31Å; P276-L350 WeakPolarHBondContact O-CD2 3.1Å
277V82Confident87.8Confident17 Ų1723.1 Ų23.110%0.10313%0.131CC..  trans-73.2168.6178.8-64.10000112.3L275 L283 A310 R348L275-V277 PolarHBondContact O-N 2.82Å; V277-L283 HydrophobicContact CB-CD1 4.47Å; V277-L283 HydrophobicContact CB-CG 4.23Å; V277-L283 HydrophobicContact CG1-CD1 3.89Å; V277-L283 HydrophobicContact CG1-CG 4.05Å; V277-A310 HydrophobicContact CG1-CB 4.03Å; V277-R348 PolarHBondContact O-NH2 3.09Å
278R79.8Confident87.9Confident27 Ų2726.3 Ų26.310%0.10214%0.144CC..  trans-75.7176.2170.4-67.6171.8-177.8149-4.7111.2D280 G281 T282 L283 N284 D339 Q340R278-D280 WeakPolarHBondContact CB-OD1 3.43Å; R278-D280 PolarHBondContact O-N 2.84Å; R278-G281 PolarHBondContact O-N 2.95Å; R278-T282 VanDerWaalsContact CB-O 3.28Å; R278-T282 WeakPolarHBondContact CB-O 3.47Å; R278-T282 WeakPolarHBondContact CG-O 3.41Å; R278-T282 PolarHBondContact N-O 3.37Å; R278-T282 VanDerWaalsContact N-O 3.08Å; R278-L283 HydrophobicContact CG-CD2 4.23Å; R278-N284 PolarHBondContact NH1-ND2 2.96Å; R278-D339 VanDerWaalsContact CZ-CG 3.42Å; R278-D339 IonicContact CZ-OD1 2.82Å; R278-D339 IonicContact CZ-OD2 3.97Å; R278-D339 IonicContact NE-OD1 3.45Å; R278-D339 PolarHBondContact NE-OD1 3.34Å; R278-D339 IonicContact NE-OD2 2.7Å; R278-D339 PolarHBondContact NE-OD2 2.86Å; R278-D339 IonicContact NH1-OD1 3.63Å; R278-D339 IonicContact NH2-OD1 3.34Å; R278-D339 PolarHBondContact NH2-OD1 2.95Å; R278-D339 IonicContact NH2-OD2 2.75Å; R278-D339 PolarHBondContact NH2-OD2 2.89Å; R278-Q340 PolarHBondContact NH2-O 2.83Å
279S70.6Confident87.8Confident46 Ų4625.4 Ų25.432%0.32214%0.139SC..THydrogen-bonded Turntrans-55.3-29.3175.146.30000115.1Q166Q166-S279 WeakPolarHBondContact CB-O 3.5Å; Q166-S279 VanDerWaalsContact CG-O 3.28Å; Q166-S279 WeakPolarHBondContact CG-O 3.1Å
280D75.9Confident87.7Confident88 Ų8826.2 Ų26.247%0.47114%0.144SC..THydrogen-bonded Turntrans-83.21.517769.3-11.1000113.1R278 T282R278-D280 WeakPolarHBondContact CB-OD1 3.43Å; R278-D280 PolarHBondContact O-N 2.84Å; D280-T282 VanDerWaalsContact C-N 3.28Å; D280-T282 VanDerWaalsContact CG-OG1 3.27Å; D280-T282 PolarHBondContact O-N 2.88Å; D280-T282 PolarHBondContact OD1-N 3.11Å; D280-T282 PolarHBondContact OD1-OG1 2.87Å; D280-T282 VanDerWaalsContact OD1-OG1 3.14Å; D280-T282 PolarHBondContact OD2-OG1 2.88Å
281G73.5Confident87.7Confident17 Ų1723.4 Ų23.418%0.17513%0.13CC..SBendtrans79.74.3-176.100000114R278 A310R278-G281 PolarHBondContact O-N 2.95Å; G281-A310 WeakPolarHBondContact O-CB 3.33Å
282T82.1Confident87.6Confident30 Ų3024.4 Ų24.418%0.18413%0.134CC..  trans-121.5164.7-174.885.10000113.6R278 D280 K308R278-T282 VanDerWaalsContact CB-O 3.28Å; R278-T282 WeakPolarHBondContact CB-O 3.47Å; R278-T282 WeakPolarHBondContact CG-O 3.41Å; R278-T282 PolarHBondContact N-O 3.37Å; R278-T282 VanDerWaalsContact N-O 3.08Å; D280-T282 VanDerWaalsContact C-N 3.28Å; D280-T282 VanDerWaalsContact CG-OG1 3.27Å; D280-T282 PolarHBondContact O-N 2.88Å; D280-T282 PolarHBondContact OD1-N 3.11Å; D280-T282 PolarHBondContact OD1-OG1 2.87Å; D280-T282 VanDerWaalsContact OD1-OG1 3.14Å; D280-T282 PolarHBondContact OD2-OG1 2.88Å; T282-K308 HydrophobicContact CG2-CB 4.44Å
283L87.5Confident87.6Confident0 Ų024.4 Ų24.40%013%0.133CC..EExtended strand (participates in β ladder)trans-134.9151.3174.8-66.5166.4000110.9L275 V277 R278 K307 K308 Q309 D339 L350L275-L283 HydrophobicContact CB-CD1 3.86Å; L275-L283 HydrophobicContact CD1-CD1 4.03Å; V277-L283 HydrophobicContact CB-CD1 4.47Å; V277-L283 HydrophobicContact CB-CG 4.23Å; V277-L283 HydrophobicContact CG1-CD1 3.89Å; V277-L283 HydrophobicContact CG1-CG 4.05Å; R278-L283 HydrophobicContact CG-CD2 4.23Å; L283-K307 CarbonylContact O-C 3.52Å; L283-K308 WeakPolarHBondContact O-CA 3.44Å; L283-K308 PolarHBondContact O-N 3.4Å; L283-Q309 WeakPolarHBondContact CB-O 3.36Å; L283-Q309 PolarHBondContact N-O 2.8Å; L283-Q309 PolarHBondContact O-N 3.45Å; L283-D339 HydrophobicContact CD2-CB 3.91Å; L283-L350 HydrophobicContact CD1-CD1 3.67Å; L283-L350 HydrophobicContact CD2-CD1 4.07Å; L283-L350 HydrophobicContact CD2-CD2 3.99Å; L283-L350 HydrophobicContact CG-CD1 4.41Å
284N91.1Very high87.5Confident14 Ų1422.2 Ų22.28%0.07513%0.129CC..EExtended strand (participates in β ladder)trans-10170.4163.7-64.5-29.9000108.8R278 V305 L306 K307 K308 D339 Q340R278-N284 PolarHBondContact NH1-ND2 2.96Å; N284-V305 HydrophobicContact CB-CG1 4.11Å; N284-V305 WeakPolarHBondContact O-CG1 3.44Å; N284-L306 CarbonylContact C-O 3.46Å; N284-L306 VanDerWaalsContact C-O 3.26Å; N284-L306 VanDerWaalsContact CA-O 3.24Å; N284-L306 WeakPolarHBondContact CA-O 3.14Å; N284-K307 VanDerWaalsContact OD1-CA 3.29Å; N284-K307 WeakPolarHBondContact OD1-CA 3.37Å; N284-K307 WeakPolarHBondContact OD1-CB 3.45Å; N284-K308 PolarHBondContact OD1-N 3.36Å; N284-K308 VanDerWaalsContact OD1-N 3.13Å; N284-D339 PolarHBondContact N-OD1 3.39Å; N284-Q340 HydrophobicContact CB-CB 3.98Å; N284-Q340 WeakPolarHBondContact CB-O 3.38Å; N284-Q340 VanDerWaalsContact O-CB 3.29Å; N284-Q340 WeakPolarHBondContact O-CB 3.36Å; N284-Q340 PolarHBondContact O-N 2.84Å
285S93.7Very high87.8Confident0 Ų024.9 Ų24.90%014%0.143CC..EExtended strand (participates in β ladder)trans-87.7144.2-162.769.10000114.4V305 L306 P312 W314 W338S285-V305 WeakPolarHBondContact O-CA 3.43Å; S285-L306 PolarHBondContact N-O 2.92Å; S285-L306 PolarHBondContact O-N 3.08Å; S285-P312 WeakPolarHBondContact OG-CB 3.18Å; S285-P312 WeakPolarHBondContact OG-CG 3.41Å; S285-W314 PolarHBondContact O-NE1 2.85Å; S285-W314 VanDerWaalsContact O-NE1 3.15Å; S285-W314 WeakPolarHBondContact OG-CZ2 3.3Å; S285-W338 CarbonylContact C-O 3.59Å; S285-W338 WeakPolarHBondContact CA-O 3.4Å
286F95.9Very high87.8Confident0 Ų031.8 Ų31.80%018%0.175CC..EExtended strand (participates in β ladder)trans-146161.8170.166.1-92.3000111K288 K302 V305 W338 Q340 D347F286-K288 HydrophobicContact CD2-CG 4.18Å; F286-K288 HydrophobicContact CE2-CD 3.87Å; F286-K288 VanDerWaalsContact CE2-CE 3.47Å; F286-K288 HydrophobicContact CE2-CG 3.84Å; F286-K302 HydrophobicContact CD2-CD 4.23Å; F286-K302 HydrophobicContact CD2-CG 4.02Å; F286-K302 HydrophobicContact CE2-CD 4.37Å; F286-K302 VanDerWaalsContact CE2-CE 3.5Å; F286-K302 HydrophobicContact CE2-CG 4.49Å; F286-V305 HydrophobicContact CB-CB 4.46Å; F286-V305 HydrophobicContact CB-CG2 3.99Å; F286-V305 HydrophobicContact CD1-CG1 4.46Å; F286-V305 HydrophobicContact CD1-CG2 3.88Å; F286-V305 HydrophobicContact CG-CG2 4.19Å; F286-W338 HydrophobicContact CD1-CB 4.11Å; F286-W338 HydrophobicContact CD2-CB 4.01Å; F286-W338 HydrophobicContact CD2-CG 4.42Å; F286-W338 HydrophobicContact CE1-CB 3.6Å; F286-W338 HydrophobicContact CE1-CG 4.5Å; F286-W338 HydrophobicContact CE2-CB 3.43Å; F286-W338 VanDerWaalsContact CE2-CB 3.43Å; F286-W338 AromaticContact CE2-CD1 3.74Å; F286-W338 AromaticContact CE2-CG 3.61Å; F286-W338 HydrophobicContact CE2-CG 3.61Å; F286-W338 HydrophobicContact CG-CB 4.32Å; F286-W338 HydrophobicContact CZ-CB 3.23Å; F286-W338 HydrophobicContact CZ-CD2 4.38Å; F286-W338 AromaticContact CZ-CG 3.68Å; F286-W338 HydrophobicContact CZ-CG 3.68Å; F286-W338 PolarHBondContact N-O 2.99Å; F286-W338 PolarHBondContact O-N 2.82Å; F286-Q340 HydrophobicContact CD1-CB 4.01Å; F286-Q340 HydrophobicContact CE1-CB 3.87Å; F286-D347 HydrophobicContact CZ-CB 4.35Å; F286-D347 VanDerWaalsContact CZ-OD2 3.25Å; F286-D347 WeakPolarHBondContact CZ-OD2 3.31Å
287V96.8Very high88.2Confident0 Ų036 Ų360%019%0.194CC..EExtended strand (participates in β ladder)trans-115136.2179.1-175.60000109.9L236 V269 K302 S303 W314 F318 T336 V337L236-V287 HydrophobicContact CD1-CG2 4.36Å; V269-V287 HydrophobicContact CG1-CB 4.35Å; V269-V287 HydrophobicContact CG1-CG1 4.4Å; V269-V287 HydrophobicContact CG1-CG2 3.94Å; V269-V287 HydrophobicContact CG2-CG1 4.34Å; V287-K302 CarbonylContact O-C 3.5Å; V287-K302 WeakPolarHBondContact O-CA 3.46Å; V287-S303 PolarHBondContact N-OG 2.8Å; V287-S303 PolarHBondContact O-N 3.28Å; V287-W314 HydrophobicContact CG2-CD2 3.91Å; V287-W314 HydrophobicContact CG2-CE3 3.86Å; V287-W314 HydrophobicContact CG2-CH2 3.61Å; V287-W314 HydrophobicContact CG2-CZ2 3.65Å; V287-W314 HydrophobicContact CG2-CZ3 3.72Å; V287-F318 HydrophobicContact CG1-CE2 4.46Å; V287-T336 WeakPolarHBondContact CA-O 3.45Å; V287-V337 HydrophobicContact CG2-CG1 4.49Å; V287-V337 HydrophobicContact CG2-CG2 4.19Å
288K96.7Very high88.7Confident68 Ų6840.5 Ų40.530%0.29621%0.212SC..EExtended strand (participates in β ladder)trans-109.5131.3168-74.9168.3177.4155.30108.5F286 V301 K302 L335 T336F286-K288 HydrophobicContact CD2-CG 4.18Å; F286-K288 HydrophobicContact CE2-CD 3.87Å; F286-K288 VanDerWaalsContact CE2-CE 3.47Å; F286-K288 HydrophobicContact CE2-CG 3.84Å; K288-V301 CarbonylContact C-O 3.55Å; K288-V301 WeakPolarHBondContact CA-O 3.46Å; K288-K302 HydrophobicContact CG-CB 4.34Å; K288-K302 HydrophobicContact CG-CG 4.01Å; K288-L335 WeakPolarHBondContact O-CA 3.22Å; K288-T336 PolarHBondContact N-O 2.82Å; K288-T336 PolarHBondContact O-N 2.81Å; K288-T336 PolarHBondContact O-OG1 3.17Å
289G95.6Very high89.3Confident1 Ų141.3 Ų41.31%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-107.1134.4169.300000110.5R300 V301 E334G289-R300 CarbonylContact O-C 3.53Å; G289-R300 WeakPolarHBondContact O-CA 3.3Å; G289-V301 PolarHBondContact N-O 3.43Å; G289-V301 WeakPolarHBondContact O-CG2 3.26Å; G289-V301 PolarHBondContact O-N 2.76Å; G289-E334 CarbonylContact C-O 3.57Å; G289-E334 WeakPolarHBondContact CA-O 3.49Å
290C95.1Very high90.5Very high17 Ų1748.1 Ų48.112%0.11524%0.237CC..EExtended strand (participates in β ladder)trans-130.7109.6175.3-174.20000109.6L299 R300 E334C290-L299 CarbonylContact C-O 3.53Å; C290-L299 WeakPolarHBondContact CA-O 3.27Å; C290-R300 HydrophobicContact CB-CG 4.45Å; C290-E334 HydrophobicContact CB-CB 4.42Å; C290-E334 PolarHBondContact N-O 3.37Å; C290-E334 PolarHBondContact O-N 3.44Å
291L94.3Very high91.4Very high0 Ų045.5 Ų45.50%022%0.224CC..EExtended strand (participates in β ladder)trans-92.4116.8171.6-178.765.4000108.9L265 L293 K298 L299 F320 V323 L328 L333 W375L265-L291 HydrophobicContact CD2-CD2 4.32Å; L291-L293 HydrophobicContact CD2-CD2 4.08Å; L291-L293 HydrophobicContact CG-CD2 4.19Å; L291-K298 CarbonylContact O-C 3.55Å; L291-K298 WeakPolarHBondContact O-CA 3.14Å; L291-L299 HydrophobicContact CB-CB 4.34Å; L291-L299 HydrophobicContact CD2-CD1 4.38Å; L291-L299 PolarHBondContact N-O 2.82Å; L291-L299 PolarHBondContact O-N 2.86Å; L291-F320 HydrophobicContact CB-CD1 3.87Å; L291-F320 HydrophobicContact CB-CE1 3.73Å; L291-F320 HydrophobicContact CB-CE2 4.43Å; L291-F320 HydrophobicContact CB-CG 4.28Å; L291-F320 HydrophobicContact CB-CZ 4.01Å; L291-F320 HydrophobicContact CD2-CB 3.91Å; L291-F320 HydrophobicContact CD2-CD1 4.13Å; L291-F320 HydrophobicContact CD2-CD2 4.29Å; L291-F320 HydrophobicContact CD2-CG 3.85Å; L291-V323 HydrophobicContact CD2-CG1 4Å; L291-L328 HydrophobicContact CD1-CD2 4.25Å; L291-L328 HydrophobicContact CD2-CD2 3.97Å; L291-L333 HydrophobicContact CB-CD1 4.37Å; L291-L333 HydrophobicContact CD1-CB 4.13Å; L291-W375 HydrophobicContact CD1-CH2 4.46Å
292T93.6Very high92.5Very high31 Ų3149.4 Ų49.419%0.1924%0.236CC..EExtended strand (participates in β ladder)trans-99.2114.7175.2-52.90000109K298 S331 T332T292-K298 HydrophobicContact CG2-CG 4.24Å; T292-S331 VanDerWaalsContact O-CA 3.25Å; T292-S331 WeakPolarHBondContact O-CA 3.23Å; T292-S331 VanDerWaalsContact O-CB 3.26Å; T292-S331 WeakPolarHBondContact O-CB 3.43Å; T292-T332 PolarHBondContact N-O 3.35Å; T292-T332 PolarHBondContact O-N 2.97Å; T292-T332 VanDerWaalsContact O-N 3.08Å
293L91.3Very high93.2Very high7 Ų748.2 Ų48.24%0.03723%0.229CC..  trans-83.1165.6178.7-63.7179.6000111.4L291 N295 Q296 Q297 L299 V323 S331L291-L293 HydrophobicContact CD2-CD2 4.08Å; L291-L293 HydrophobicContact CG-CD2 4.19Å; L293-N295 WeakPolarHBondContact CB-OD1 3.45Å; L293-N295 PolarHBondContact O-N 3.03Å; L293-Q296 PolarHBondContact O-N 3.41Å; L293-Q297 HydrophobicContact CB-CB 4.42Å; L293-Q297 HydrophobicContact CD1-CB 4.41Å; L293-Q297 PolarHBondContact N-O 3.09Å; L293-L299 HydrophobicContact CD1-CD1 4.21Å; L293-L299 HydrophobicContact CD1-CG 4.48Å; L293-V323 HydrophobicContact CD2-CG1 4.06Å; L293-S331 WeakPolarHBondContact CD2-OG 3.38Å
294P88.3Confident93.5Very high51 Ų5151.8 Ų51.833%0.33125%0.252SS..THydrogen-bonded Turntrans-62-28.9-176.6-25.337.4000114Q296 Q327 Q330P294-Q296 PolarHBondContact O-N 2.93Å; P294-Q327 HydrophobicContact CG-CB 4.48Å; P294-Q330 HydrophobicContact CB-CB 4.27Å; P294-Q330 HydrophobicContact CG-CB 3.57Å
295N89.2Confident93.7Very high97 Ų9752.9 Ų52.952%0.51926%0.26SS..THydrogen-bonded Turntrans-76.112.7174.166.8-9000113.5L293 Q297L293-N295 WeakPolarHBondContact CB-OD1 3.45Å; L293-N295 PolarHBondContact O-N 3.03Å; N295-Q297 PolarHBondContact ND2-OE1 3.14Å; N295-Q297 PolarHBondContact O-N 3.26Å; N295-Q297 VanDerWaalsContact O-N 3.14Å; N295-Q297 WeakPolarHBondContact OD1-CB 3.41Å; N295-Q297 PolarHBondContact OD1-N 3.22Å
296Q87.4Confident93.7Very high144 Ų14454.9 Ų54.967%0.67327%0.27SS*.SBendtrans64.65.9-174.5-59-65.6-40.400115.3L293 P294 K298L293-Q296 PolarHBondContact O-N 3.41Å; P294-Q296 PolarHBondContact O-N 2.93Å; Q296-K298 PolarHBondContact O-N 2.56Å
297Q91.1Very high93.5Very high102 Ų10261.8 Ų61.848%0.47730%0.3SS..  trans-68.5131.1174.3-170.8178.715.700110.1L293 N295 L299L293-Q297 HydrophobicContact CB-CB 4.42Å; L293-Q297 HydrophobicContact CD1-CB 4.41Å; L293-Q297 PolarHBondContact N-O 3.09Å; N295-Q297 PolarHBondContact ND2-OE1 3.14Å; N295-Q297 PolarHBondContact O-N 3.26Å; N295-Q297 VanDerWaalsContact O-N 3.14Å; N295-Q297 WeakPolarHBondContact OD1-CB 3.41Å; N295-Q297 PolarHBondContact OD1-N 3.22Å; Q297-L299 HydrophobicContact CG-CD2 4.41Å
298K92.8Very high93Very high111 Ų11169.5 Ų69.548%0.48333%0.334SS..EExtended strand (participates in β ladder)trans-108.7113179.7-67.2-175.1179.1-176.20110.4L291 T292 Q296L291-K298 CarbonylContact O-C 3.55Å; L291-K298 WeakPolarHBondContact O-CA 3.14Å; T292-K298 HydrophobicContact CG2-CG 4.24Å; Q296-K298 PolarHBondContact O-N 2.56Å
299L92.8Very high92.4Very high43 Ų4370.1 Ų70.123%0.22534%0.337CS..EExtended strand (participates in β ladder)trans-91.6121171.6-54179.6000108.6C290 L291 L293 Q297 F320 V323C290-L299 CarbonylContact C-O 3.53Å; C290-L299 WeakPolarHBondContact CA-O 3.27Å; L291-L299 HydrophobicContact CB-CB 4.34Å; L291-L299 HydrophobicContact CD2-CD1 4.38Å; L291-L299 PolarHBondContact N-O 2.82Å; L291-L299 PolarHBondContact O-N 2.86Å; L293-L299 HydrophobicContact CD1-CD1 4.21Å; L293-L299 HydrophobicContact CD1-CG 4.48Å; Q297-L299 HydrophobicContact CG-CD2 4.41Å; L299-F320 HydrophobicContact CB-CD1 3.64Å; L299-F320 HydrophobicContact CB-CE1 3.96Å; L299-F320 HydrophobicContact CD1-CB 4.33Å; L299-F320 HydrophobicContact CD1-CD1 4.15Å; L299-F320 WeakPolarHBondContact O-CE1 3.45Å; L299-V323 HydrophobicContact CD1-CG1 4.25Å
300R95.4Very high91.6Very high189 Ų18971.9 Ų71.971%0.71335%0.352SS*.EExtended strand (participates in β ladder)trans-117.2137.6-173.8-61.3-177.9-174-139.65.9111.3G289 C290G289-R300 CarbonylContact O-C 3.53Å; G289-R300 WeakPolarHBondContact O-CA 3.3Å; C290-R300 HydrophobicContact CB-CG 4.45Å
301V95.9Very high91.2Very high33 Ų3374.8 Ų74.820%0.237%0.372CS..EExtended strand (participates in β ladder)trans-136.1152.8178.8-670000109.3K288 G289 F318 F320K288-V301 CarbonylContact C-O 3.55Å; K288-V301 WeakPolarHBondContact CA-O 3.46Å; G289-V301 PolarHBondContact N-O 3.43Å; G289-V301 WeakPolarHBondContact O-CG2 3.26Å; G289-V301 PolarHBondContact O-N 2.76Å; V301-F318 HydrophobicContact CB-CB 4.27Å; V301-F318 HydrophobicContact CB-CD1 3.56Å; V301-F318 HydrophobicContact CB-CD2 4.45Å; V301-F318 HydrophobicContact CB-CE1 3.89Å; V301-F318 HydrophobicContact CB-CG 3.86Å; V301-F318 HydrophobicContact CB-CZ 4.48Å; V301-F318 HydrophobicContact CG1-CB 4.44Å; V301-F318 HydrophobicContact CG1-CD1 4.36Å; V301-F318 HydrophobicContact CG2-CB 3.8Å; V301-F318 HydrophobicContact CG2-CD1 3.6Å; V301-F318 HydrophobicContact CG2-CD2 3.58Å; V301-F318 HydrophobicContact CG2-CE1 3.97Å; V301-F318 HydrophobicContact CG2-CE2 3.95Å; V301-F318 HydrophobicContact CG2-CG 3.38Å; V301-F318 HydrophobicContact CG2-CZ 4.14Å; V301-F320 HydrophobicContact CG1-CE1 3.94Å; V301-F320 HydrophobicContact CG1-CZ 4.27Å; V301-F320 HydrophobicContact CG2-CE1 3.98Å; V301-F320 HydrophobicContact CG2-CE2 4.44Å; V301-F320 HydrophobicContact CG2-CZ 3.57Å
302K96.1Very high91.1Very high99 Ų9974.8 Ų74.843%0.4337%0.372SS..EExtended strand (participates in β ladder)trans-142136-177.9-173.5-174.1174.7178.70110.1F286 V287 K288 F318F286-K302 HydrophobicContact CD2-CD 4.23Å; F286-K302 HydrophobicContact CD2-CG 4.02Å; F286-K302 HydrophobicContact CE2-CD 4.37Å; F286-K302 VanDerWaalsContact CE2-CE 3.5Å; F286-K302 HydrophobicContact CE2-CG 4.49Å; V287-K302 CarbonylContact O-C 3.5Å; V287-K302 WeakPolarHBondContact O-CA 3.46Å; K288-K302 HydrophobicContact CG-CB 4.34Å; K288-K302 HydrophobicContact CG-CG 4.01Å; K302-F318 VanDerWaalsContact C-CE1 3.41Å
303S96.1Very high91Very high6 Ų679.3 Ų79.34%0.04239%0.391CS..PPolyproline II helixtrans-78.4162.6175.376.80000111.5V287V287-S303 PolarHBondContact N-OG 2.8Å; V287-S303 PolarHBondContact O-N 3.28Å
304P95.4Very high91.2Very high75 Ų7580 Ų8049%0.48739%0.393SS..PPolyproline II helixtrans-55.1153.4160.8-2334000111.4H316P304-H316 WeakPolarHBondContact CD-ND1 3.44Å
305V94.8Very high91.5Very high37 Ų3784.4 Ų84.422%0.22441%0.407CS..PPolyproline II helixtrans-86.5122.3175-1740000109.2N284 S285 F286 K307 Q340N284-V305 HydrophobicContact CB-CG1 4.11Å; N284-V305 WeakPolarHBondContact O-CG1 3.44Å; S285-V305 WeakPolarHBondContact O-CA 3.43Å; F286-V305 HydrophobicContact CB-CB 4.46Å; F286-V305 HydrophobicContact CB-CG2 3.99Å; F286-V305 HydrophobicContact CD1-CG1 4.46Å; F286-V305 HydrophobicContact CD1-CG2 3.88Å; F286-V305 HydrophobicContact CG-CG2 4.19Å; V305-K307 HydrophobicContact CG1-CG 4.39Å; V305-Q340 HydrophobicContact CG1-CB 3.98Å
306L92.9Very high91.8Very high42 Ų4282.4 Ų82.422%0.2239%0.394CS..EExtended strand (participates in β ladder)trans-92.3118.1170.9-63.2-177.5000109.1N284 S285 P312 W314N284-L306 CarbonylContact C-O 3.46Å; N284-L306 VanDerWaalsContact C-O 3.26Å; N284-L306 VanDerWaalsContact CA-O 3.24Å; N284-L306 WeakPolarHBondContact CA-O 3.14Å; S285-L306 PolarHBondContact N-O 2.92Å; S285-L306 PolarHBondContact O-N 3.08Å; L306-P312 HydrophobicContact CD1-CB 3.9Å; L306-W314 HydrophobicContact CD1-CB 4.41Å; L306-W314 HydrophobicContact CD1-CD2 4.24Å; L306-W314 HydrophobicContact CD1-CG 3.83Å; L306-W314 HydrophobicContact CG-CG 4.36Å
307K91.4Very high92.2Very high144 Ų14479 Ų7963%0.62639%0.386SS*.EExtended strand (participates in β ladder)trans-93.6142.8-173.6-63.5-178.7-178177.60111.4L283 N284 V305 Q309L283-K307 CarbonylContact O-C 3.52Å; N284-K307 VanDerWaalsContact OD1-CA 3.29Å; N284-K307 WeakPolarHBondContact OD1-CA 3.37Å; N284-K307 WeakPolarHBondContact OD1-CB 3.45Å; V305-K307 HydrophobicContact CG1-CG 4.39Å; K307-Q309 PolarHBondContact O-N 3.38Å
308K86.6Confident92.4Very high163 Ų16374.4 Ų74.471%0.70936%0.364SS*.EExtended strand (participates in β ladder)trans54.144.6174-56.1-175.9177.5-1760114.5T282 L283 N284T282-K308 HydrophobicContact CG2-CB 4.44Å; L283-K308 WeakPolarHBondContact O-CA 3.44Å; L283-K308 PolarHBondContact O-N 3.4Å; N284-K308 PolarHBondContact OD1-N 3.36Å; N284-K308 VanDerWaalsContact OD1-N 3.13Å
309Q84.7Confident92.5Very high80 Ų8072.3 Ų72.337%0.37436%0.361SS..EExtended strand (participates in β ladder)trans-124136.9177-67.9-172.2-33.100111.7L283 K307L283-Q309 WeakPolarHBondContact CB-O 3.36Å; L283-Q309 PolarHBondContact N-O 2.8Å; L283-Q309 PolarHBondContact O-N 3.45Å; K307-Q309 PolarHBondContact O-N 3.38Å
310A78.9Confident92.5Very high38 Ų3870.5 Ų70.531%0.31435%0.351SS..SBendtrans-82.9-36.8174.500000112.5V277 G281 P312V277-A310 HydrophobicContact CG1-CB 4.03Å; G281-A310 WeakPolarHBondContact O-CB 3.33Å; A310-P312 WeakPolarHBondContact O-CD 3.46Å
311C86.6Confident92.3Very high79 Ų7966.4 Ų66.453%0.53434%0.343SS..SBendtrans-121.578.6-178.3-64.80000109.4
312P91Very high91.8Very high0 Ų066.7 Ų66.70%035%0.354CS..  trans-66.5138.5-173.627.4-36000112.4G271 A272 L275 S285 L306 A310 W314G271-P312 CarbonylContact C-O 3.56Å; G271-P312 WeakPolarHBondContact CA-O 3.22Å; A272-P312 HydrophobicContact CB-CG 4.24Å; A272-P312 PolarHBondContact N-O 2.99Å; L275-P312 HydrophobicContact CD1-CG 3.77Å; S285-P312 WeakPolarHBondContact OG-CB 3.18Å; S285-P312 WeakPolarHBondContact OG-CG 3.41Å; L306-P312 HydrophobicContact CD1-CB 3.9Å; A310-P312 WeakPolarHBondContact O-CD 3.46Å; P312-W314 HydrophobicContact CB-CD2 4.22Å; P312-W314 HydrophobicContact CB-CE3 4.29Å; P312-W314 HydrophobicContact CB-CH2 3.73Å; P312-W314 HydrophobicContact CB-CZ2 3.63Å; P312-W314 HydrophobicContact CB-CZ3 4.05Å; P312-W314 HydrophobicContact CG-CE3 4.42Å; P312-W314 HydrophobicContact CG-CH2 3.23Å; P312-W314 HydrophobicContact CG-CZ2 3.58Å; P312-W314 HydrophobicContact CG-CZ3 3.7Å
313Q93.2Very high91.4Very high126 Ų12662 Ų6259%0.58933%0.333SS*.  trans-121.386.2173.8-65.9-170.2-4.300109.9L270L270-Q313 CarbonylContact O-C 3.53Å; L270-Q313 WeakPolarHBondContact O-CA 3.43Å
314W94.6Very high91Very high21 Ų2162 Ų628%0.0833%0.333CS..  trans-68.6-37.4-177.9-62.5-83.8000113.2L236 V269 L270 A272 S285 V287 L306 P312 H316 V337L236-W314 HydrophobicContact CD1-CZ3 3.92Å; V269-W314 HydrophobicContact CG1-CD2 4.47Å; V269-W314 HydrophobicContact CG1-CE3 3.84Å; V269-W314 HydrophobicContact CG1-CZ3 4.44Å; L270-W314 PolarHBondContact O-N 2.9Å; A272-W314 HydrophobicContact CB-CH2 3.93Å; A272-W314 HydrophobicContact CB-CZ3 3.66Å; S285-W314 PolarHBondContact O-NE1 2.85Å; S285-W314 VanDerWaalsContact O-NE1 3.15Å; S285-W314 WeakPolarHBondContact OG-CZ2 3.3Å; V287-W314 HydrophobicContact CG2-CD2 3.91Å; V287-W314 HydrophobicContact CG2-CE3 3.86Å; V287-W314 HydrophobicContact CG2-CH2 3.61Å; V287-W314 HydrophobicContact CG2-CZ2 3.65Å; V287-W314 HydrophobicContact CG2-CZ3 3.72Å; L306-W314 HydrophobicContact CD1-CB 4.41Å; L306-W314 HydrophobicContact CD1-CD2 4.24Å; L306-W314 HydrophobicContact CD1-CG 3.83Å; L306-W314 HydrophobicContact CG-CG 4.36Å; P312-W314 HydrophobicContact CB-CD2 4.22Å; P312-W314 HydrophobicContact CB-CE3 4.29Å; P312-W314 HydrophobicContact CB-CH2 3.73Å; P312-W314 HydrophobicContact CB-CZ2 3.63Å; P312-W314 HydrophobicContact CB-CZ3 4.05Å; P312-W314 HydrophobicContact CG-CE3 4.42Å; P312-W314 HydrophobicContact CG-CH2 3.23Å; P312-W314 HydrophobicContact CG-CZ2 3.58Å; P312-W314 HydrophobicContact CG-CZ3 3.7Å; W314-H316 HydrophobicContact CB-CB 4Å; W314-H316 PolarHBondContact O-N 2.99Å; W314-V337 HydrophobicContact CH2-CG1 3.82Å; W314-V337 HydrophobicContact CZ2-CG1 4.26Å
315K94.3Very high90.5Very high143 Ų14359.6 Ų59.662%0.62232%0.318SS*.  trans43.837.8-172.8-59.7177.7-176.8172.10112.1V269 L270V269-K315 CarbonylContact O-C 3.59Å; V269-K315 WeakPolarHBondContact O-CA 3.42Å; V269-K315 PolarHBondContact O-N 3.28Å; L270-K315 PolarHBondContact O-N 2.67Å; L270-K315 VanDerWaalsContact O-N 3.12Å
316H95.3Very high90.1Very high56 Ų5661.1 Ų61.126%0.25933%0.33SS..EExtended strand (participates in β ladder)trans-105.9137.1-167.3-175.473.5000110.9V268 V269 P304 W314 F318V268-H316 WeakPolarHBondContact CA-O 3.34Å; V269-H316 PolarHBondContact N-O 3.35Å; V269-H316 PolarHBondContact O-N 2.78Å; P304-H316 WeakPolarHBondContact CD-ND1 3.44Å; W314-H316 HydrophobicContact CB-CB 4Å; W314-H316 PolarHBondContact O-N 2.99Å; H316-F318 AromaticContact CD2-CD1 3.65Å; H316-F318 AromaticContact CD2-CE1 3.24Å; H316-F318 WeakPolarHBondContact CD2-CE1 3.47Å; H316-F318 AromaticContact CD2-CZ 3.89Å; H316-F318 AromaticContact NE2-CD1 3.77Å; H316-F318 AromaticContact NE2-CE1 3.48Å; H316-F318 WeakPolarHBondContact NE2-CE1 3.21Å
317S96Very high89.9Confident71 Ų7161.9 Ų61.950%0.49733%0.333SS..EExtended strand (participates in β ladder)trans-101.4127.7-175.6-60.40000111.5L267L267-S317 CarbonylContact O-C 3.59Å; L267-S317 WeakPolarHBondContact O-CA 3.41Å
318F95.9Very high89.8Confident6 Ų655 Ų553%0.02630%0.303CS..EExtended strand (participates in β ladder)trans-104.4141.5167.1-60.7-40.9000110L267 V269 V287 V301 K302 H316L267-F318 HydrophobicContact CB-CB 4.38Å; L267-F318 HydrophobicContact CD2-CD2 4.2Å; L267-F318 PolarHBondContact N-O 2.81Å; L267-F318 PolarHBondContact O-N 3.16Å; V269-F318 HydrophobicContact CG2-CD2 3.93Å; V269-F318 HydrophobicContact CG2-CE2 3.63Å; V287-F318 HydrophobicContact CG1-CE2 4.46Å; V301-F318 HydrophobicContact CB-CB 4.27Å; V301-F318 HydrophobicContact CB-CD1 3.56Å; V301-F318 HydrophobicContact CB-CD2 4.45Å; V301-F318 HydrophobicContact CB-CE1 3.89Å; V301-F318 HydrophobicContact CB-CG 3.86Å; V301-F318 HydrophobicContact CB-CZ 4.48Å; V301-F318 HydrophobicContact CG1-CB 4.44Å; V301-F318 HydrophobicContact CG1-CD1 4.36Å; V301-F318 HydrophobicContact CG2-CB 3.8Å; V301-F318 HydrophobicContact CG2-CD1 3.6Å; V301-F318 HydrophobicContact CG2-CD2 3.58Å; V301-F318 HydrophobicContact CG2-CE1 3.97Å; V301-F318 HydrophobicContact CG2-CE2 3.95Å; V301-F318 HydrophobicContact CG2-CG 3.38Å; V301-F318 HydrophobicContact CG2-CZ 4.14Å; K302-F318 VanDerWaalsContact C-CE1 3.41Å; H316-F318 AromaticContact CD2-CD1 3.65Å; H316-F318 AromaticContact CD2-CE1 3.24Å; H316-F318 WeakPolarHBondContact CD2-CE1 3.47Å; H316-F318 AromaticContact CD2-CZ 3.89Å; H316-F318 AromaticContact NE2-CD1 3.77Å; H316-F318 AromaticContact NE2-CE1 3.48Å; H316-F318 WeakPolarHBondContact NE2-CE1 3.21Å
319V94.7Very high89.9Confident68 Ų6853.2 Ų53.241%0.41229%0.292SS..EExtended strand (participates in β ladder)trans-130.3121.8177-175.80000108.7Q264 N321Q264-V319 HydrophobicContact CB-CG1 4.3Å; V319-N321 WeakPolarHBondContact CG1-OD1 3.48Å
320F92.8Very high90Very high5 Ų555.9 Ų55.92%0.02230%0.304CS..EExtended strand (participates in β ladder)trans-101.6111170.6-56.6-82.5000108.6Q264 L265 L291 L299 V301 V323 L333Q264-F320 WeakPolarHBondContact CA-O 3.27Å; L265-F320 HydrophobicContact CB-CB 4.26Å; L265-F320 HydrophobicContact CB-CD2 4.32Å; L265-F320 HydrophobicContact CD2-CD2 4Å; L265-F320 HydrophobicContact CG-CD2 4.29Å; L265-F320 PolarHBondContact N-O 3.33Å; L265-F320 PolarHBondContact O-N 3.38Å; L291-F320 HydrophobicContact CB-CD1 3.87Å; L291-F320 HydrophobicContact CB-CE1 3.73Å; L291-F320 HydrophobicContact CB-CE2 4.43Å; L291-F320 HydrophobicContact CB-CG 4.28Å; L291-F320 HydrophobicContact CB-CZ 4.01Å; L291-F320 HydrophobicContact CD2-CB 3.91Å; L291-F320 HydrophobicContact CD2-CD1 4.13Å; L291-F320 HydrophobicContact CD2-CD2 4.29Å; L291-F320 HydrophobicContact CD2-CG 3.85Å; L299-F320 HydrophobicContact CB-CD1 3.64Å; L299-F320 HydrophobicContact CB-CE1 3.96Å; L299-F320 HydrophobicContact CD1-CB 4.33Å; L299-F320 HydrophobicContact CD1-CD1 4.15Å; L299-F320 WeakPolarHBondContact O-CE1 3.45Å; V301-F320 HydrophobicContact CG1-CE1 3.94Å; V301-F320 HydrophobicContact CG1-CZ 4.27Å; V301-F320 HydrophobicContact CG2-CE1 3.98Å; V301-F320 HydrophobicContact CG2-CE2 4.44Å; V301-F320 HydrophobicContact CG2-CZ 3.57Å; F320-V323 HydrophobicContact CB-CG1 4.44Å; F320-L333 HydrophobicContact CE2-CD1 4Å; F320-L333 HydrophobicContact CZ-CD1 4.04Å
321N90.3Very high90.6Very high102 Ų10254.1 Ų54.155%0.54529%0.29SS..EExtended strand (participates in β ladder)trans-88.5154.3-179-66.5-42.6000111.6Q264 V319Q264-N321 PolarHBondContact NE2-OD1 3.21Å; V319-N321 WeakPolarHBondContact CG1-OD1 3.48Å
322G86.2Confident90.9Very high40 Ų4052 Ų5241%0.41227%0.274SS..EExtended strand (participates in β ladder)trans73.430.9170.700000113.5G263G263-G322 PolarHBondContact O-N 3.08Å
323V88.1Confident91Very high0 Ų052.1 Ų52.10%028%0.275CS..EExtended strand (participates in β ladder)trans-110.6124.1-178.1-65.60000110.2G263 L265 L291 L293 L299 F320 L328G263-V323 CarbonylContact C-O 3.56Å; G263-V323 VanDerWaalsContact CA-O 3.27Å; G263-V323 WeakPolarHBondContact CA-O 3.2Å; G263-V323 PolarHBondContact N-O 3.2Å; G263-V323 PolarHBondContact O-N 3.06Å; G263-V323 VanDerWaalsContact O-N 3.14Å; L265-V323 HydrophobicContact CB-CG2 4.06Å; L291-V323 HydrophobicContact CD2-CG1 4Å; L293-V323 HydrophobicContact CD2-CG1 4.06Å; L299-V323 HydrophobicContact CD1-CG1 4.25Å; F320-V323 HydrophobicContact CB-CG1 4.44Å; V323-L328 HydrophobicContact CB-CD1 4.4Å; V323-L328 HydrophobicContact CB-CD2 4.12Å; V323-L328 HydrophobicContact CB-CG 4.15Å; V323-L328 HydrophobicContact CG2-CD1 4.01Å; V323-L328 HydrophobicContact CG2-CD2 4.21Å; V323-L328 HydrophobicContact CG2-CG 4.27Å
324S86.4Confident91.1Very high5 Ų548.4 Ų48.44%0.03526%0.257CS..  trans-87.4155.3175.772.60000111.6S326 Q327 L328S324-S326 PolarHBondContact O-N 3.09Å; S324-S326 PolarHBondContact OG-OG 2.93Å; S324-Q327 PolarHBondContact O-N 2.98Å; S324-Q327 VanDerWaalsContact O-N 3.16Å; S324-Q327 WeakPolarHBondContact OG-CB 3.48Å; S324-Q327 VanDerWaalsContact OG-CG 3.28Å; S324-Q327 WeakPolarHBondContact OG-CG 3.48Å; S324-Q327 PolarHBondContact OG-N 2.8Å; S324-Q327 PolarHBondContact OG-OE1 2.83Å; S324-L328 WeakPolarHBondContact O-CG 3.16Å; S324-L328 PolarHBondContact O-N 2.83Å
325S85.6Confident91.1Very high25 Ų2547.4 Ų47.418%0.17525%0.254CS..Hα-helixtrans-57.7-32.7175.4-55.70000112.8L244 R329L244-S325 WeakPolarHBondContact CD2-OG 3.43Å; S325-R329 WeakPolarHBondContact O-CG 3.41Å; S325-R329 PolarHBondContact O-N 2.98Å
326S85.8Confident91.1Very high70 Ų7041.1 Ų41.149%0.4923%0.227SC..Hα-helixtrans-70.2-42.717754.10000111.8S324 R329S324-S326 PolarHBondContact O-N 3.09Å; S324-S326 PolarHBondContact OG-OG 2.93Å; S326-R329 PolarHBondContact O-N 3.15Å
327Q88.9Confident91.1Very high57 Ų5738.4 Ų38.427%0.26622%0.215SC..Hα-helixtrans-62.2-46.1174-73.7170.7-39.800111.2P294 S324 R329 Q330 S331P294-Q327 HydrophobicContact CG-CB 4.48Å; S324-Q327 PolarHBondContact O-N 2.98Å; S324-Q327 VanDerWaalsContact O-N 3.16Å; S324-Q327 WeakPolarHBondContact OG-CB 3.48Å; S324-Q327 VanDerWaalsContact OG-CG 3.28Å; S324-Q327 WeakPolarHBondContact OG-CG 3.48Å; S324-Q327 PolarHBondContact OG-N 2.8Å; S324-Q327 PolarHBondContact OG-OE1 2.83Å; Q327-R329 VanDerWaalsContact C-N 3.29Å; Q327-R329 PolarHBondContact O-N 2.92Å; Q327-Q330 CarbonylContact O-C 3.57Å; Q327-Q330 PolarHBondContact O-N 2.94Å; Q327-S331 VanDerWaalsContact C-OG 3.32Å; Q327-S331 PolarHBondContact O-N 3.11Å; Q327-S331 PolarHBondContact O-OG 2.8Å
328L89.8Confident91Very high0 Ų037.8 Ų37.80%020%0.202CC..Hα-helixtrans-63.1-32.7-178.5-71.4175.3000113.4L242 L265 L291 V323 S324 Q330 S331 W375 L379L242-L328 HydrophobicContact CD1-CD1 3.45Å; L242-L328 VanDerWaalsContact CD1-CD1 3.45Å; L242-L328 HydrophobicContact CD2-CD1 4.13Å; L242-L328 HydrophobicContact CG-CD1 4.37Å; L265-L328 HydrophobicContact CB-CD1 4.47Å; L265-L328 HydrophobicContact CD2-CD2 4.13Å; L291-L328 HydrophobicContact CD1-CD2 4.25Å; L291-L328 HydrophobicContact CD2-CD2 3.97Å; V323-L328 HydrophobicContact CB-CD1 4.4Å; V323-L328 HydrophobicContact CB-CD2 4.12Å; V323-L328 HydrophobicContact CB-CG 4.15Å; V323-L328 HydrophobicContact CG2-CD1 4.01Å; V323-L328 HydrophobicContact CG2-CD2 4.21Å; V323-L328 HydrophobicContact CG2-CG 4.27Å; S324-L328 WeakPolarHBondContact O-CG 3.16Å; S324-L328 PolarHBondContact O-N 2.83Å; L328-Q330 PolarHBondContact O-N 2.69Å; L328-S331 PolarHBondContact O-N 2.82Å; L328-S331 VanDerWaalsContact O-N 3.15Å; L328-W375 HydrophobicContact CB-CZ2 4.39Å; L328-W375 HydrophobicContact CD2-CH2 4.38Å; L328-W375 HydrophobicContact CD2-CZ2 4.2Å; L328-W375 PolarHBondContact O-NE1 3.34Å; L328-W375 VanDerWaalsContact O-NE1 3.14Å; L328-L379 HydrophobicContact CB-CD1 4.39Å; L328-L379 HydrophobicContact CB-CD2 3.7Å; L328-L379 HydrophobicContact CD1-CD2 3.94Å; L328-L379 HydrophobicContact CG-CD2 4.45Å
329R88.3Confident90.9Very high125 Ų12537.8 Ų37.847%0.47220%0.202SC..Hα-helixtrans-62.8-21.4173.4-84.1-168.9-95.2-91.87.7113.6S325 S326 Q327 S357 L379S325-R329 WeakPolarHBondContact O-CG 3.41Å; S325-R329 PolarHBondContact O-N 2.98Å; S326-R329 PolarHBondContact O-N 3.15Å; Q327-R329 VanDerWaalsContact C-N 3.29Å; Q327-R329 PolarHBondContact O-N 2.92Å; R329-S357 WeakPolarHBondContact O-CB 3.47Å; R329-S357 PolarHBondContact O-OG 2.82Å; R329-L379 HydrophobicContact CG-CD1 3.85Å
330Q88.3Confident90.7Very high137 Ų13737.4 Ų37.464%0.6420%0.195SC*.THydrogen-bonded Turntrans-111.13.4177.5-67.6178.6-5.800112.5P294 Q327 L328P294-Q330 HydrophobicContact CB-CB 4.27Å; P294-Q330 HydrophobicContact CG-CB 3.57Å; Q327-Q330 CarbonylContact O-C 3.57Å; Q327-Q330 PolarHBondContact O-N 2.94Å; L328-Q330 PolarHBondContact O-N 2.69Å
331S90.9Very high90.3Very high1 Ų138.4 Ų38.41%0.00721%0.205CC..  trans-93161.3-177.8-60.50000112T292 L293 Q327 L328T292-S331 VanDerWaalsContact O-CA 3.25Å; T292-S331 WeakPolarHBondContact O-CA 3.23Å; T292-S331 VanDerWaalsContact O-CB 3.26Å; T292-S331 WeakPolarHBondContact O-CB 3.43Å; L293-S331 WeakPolarHBondContact CD2-OG 3.38Å; Q327-S331 VanDerWaalsContact C-OG 3.32Å; Q327-S331 PolarHBondContact O-N 3.11Å; Q327-S331 PolarHBondContact O-OG 2.8Å; L328-S331 PolarHBondContact O-N 2.82Å; L328-S331 VanDerWaalsContact O-N 3.15Å
332T92.1Very high89.7Confident35 Ų3538.4 Ų38.422%0.21520%0.204CC..EExtended strand (participates in β ladder)trans-125.6125.1171.9-55.20000109.3T292 L355T292-T332 PolarHBondContact N-O 3.35Å; T292-T332 PolarHBondContact O-N 2.97Å; T292-T332 VanDerWaalsContact O-N 3.08Å; T332-L355 CarbonylContact C-O 3.56Å; T332-L355 WeakPolarHBondContact CA-O 3.24Å
333L94.2Very high88.8Confident2 Ų245.9 Ų45.91%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-97.1119.2170.6174.765.3000109.2L267 L291 F320 L335 R354 L355 W375L267-L333 HydrophobicContact CD2-CD2 4.01Å; L291-L333 HydrophobicContact CB-CD1 4.37Å; L291-L333 HydrophobicContact CD1-CB 4.13Å; F320-L333 HydrophobicContact CE2-CD1 4Å; F320-L333 HydrophobicContact CZ-CD1 4.04Å; L333-L335 HydrophobicContact CD1-CD2 4.19Å; L333-L335 HydrophobicContact CG-CD2 4.34Å; L333-L335 HydrophobicContact CG-CG 4.39Å; L333-R354 WeakPolarHBondContact O-CA 2.85Å; L333-L355 HydrophobicContact CB-CB 4.32Å; L333-L355 HydrophobicContact CD2-CD1 4.25Å; L333-L355 PolarHBondContact N-O 3.47Å; L333-L355 PolarHBondContact O-N 3.14Å; L333-W375 HydrophobicContact CB-CH2 4.07Å; L333-W375 HydrophobicContact CB-CZ3 4.05Å; L333-W375 HydrophobicContact CD2-CH2 4.43Å; L333-W375 HydrophobicContact CD2-CZ3 3.88Å
334E94.2Very high87.5Confident47 Ų4750.3 Ų50.322%0.2227%0.271CS..EExtended strand (participates in β ladder)trans-107.1128.8175.2-172.1-175.996.200109.3G289 C290 T336 E352 R354G289-E334 CarbonylContact C-O 3.57Å; G289-E334 WeakPolarHBondContact CA-O 3.49Å; C290-E334 HydrophobicContact CB-CB 4.42Å; C290-E334 PolarHBondContact N-O 3.37Å; C290-E334 PolarHBondContact O-N 3.44Å; E334-T336 HydrophobicContact CG-CG2 4.26Å; E334-E352 HydrophobicContact CG-CG 3.98Å; E334-E352 WeakPolarHBondContact CG-OE1 3.21Å; E334-R354 HydrophobicContact CG-CG 4.27Å; E334-R354 IonicContact OE2-CZ 2.78Å; E334-R354 IonicContact OE2-NE 3.65Å; E334-R354 IonicContact OE2-NH1 3.77Å; E334-R354 PolarHBondContact OE2-NH1 3.06Å; E334-R354 IonicContact OE2-NH2 3.62Å; E334-R354 PolarHBondContact OE2-NH2 2.8Å
335L95.5Very high86.9Confident0 Ų055.5 Ų55.50%030%0.296CS..EExtended strand (participates in β ladder)trans-117.1119.5175.6-60.9178.5000108.5L236 V238 L267 K288 L333 E352 A353 L390L236-L335 HydrophobicContact CD2-CB 3.99Å; L236-L335 HydrophobicContact CD2-CD1 3.95Å; V238-L335 HydrophobicContact CG1-CD1 3.99Å; L267-L335 HydrophobicContact CD2-CD1 4.04Å; L267-L335 HydrophobicContact CD2-CD2 3.6Å; L267-L335 HydrophobicContact CD2-CG 4.42Å; K288-L335 WeakPolarHBondContact O-CA 3.22Å; L333-L335 HydrophobicContact CD1-CD2 4.19Å; L333-L335 HydrophobicContact CG-CD2 4.34Å; L333-L335 HydrophobicContact CG-CG 4.39Å; L335-E352 CarbonylContact O-C 3.49Å; L335-E352 WeakPolarHBondContact O-CA 3.39Å; L335-A353 PolarHBondContact N-O 2.74Å; L335-A353 PolarHBondContact O-N 2.82Å; L335-L390 HydrophobicContact CD1-CD1 3.62Å
336T94.7Very high86.7Confident11 Ų1160.8 Ų60.87%0.06732%0.322CS..EExtended strand (participates in β ladder)trans-118.6130.9178.648.40000109.8V287 K288 E334 W338 L349 E352V287-T336 WeakPolarHBondContact CA-O 3.45Å; K288-T336 PolarHBondContact N-O 2.82Å; K288-T336 PolarHBondContact O-N 2.81Å; K288-T336 PolarHBondContact O-OG1 3.17Å; E334-T336 HydrophobicContact CG-CG2 4.26Å; T336-W338 PolarHBondContact OG1-NE1 2.84Å; T336-L349 HydrophobicContact CG2-CD1 4Å; T336-E352 HydrophobicContact CG2-CB 4.01Å; T336-E352 HydrophobicContact CG2-CG 3.65Å
337V94.9Very high86.9Confident0 Ų060 Ų600%031%0.312CS..EExtended strand (participates in β ladder)trans-99.4130175.5-171.10000108.1L236 L275 V287 W314 L350 G351 L392L236-V337 HydrophobicContact CD1-CG2 4.04Å; L236-V337 HydrophobicContact CD2-CG2 4.28Å; L275-V337 HydrophobicContact CD1-CG1 4.06Å; L275-V337 HydrophobicContact CD2-CG1 4.25Å; V287-V337 HydrophobicContact CG2-CG1 4.49Å; V287-V337 HydrophobicContact CG2-CG2 4.19Å; W314-V337 HydrophobicContact CH2-CG1 3.82Å; W314-V337 HydrophobicContact CZ2-CG1 4.26Å; V337-L350 HydrophobicContact CB-CB 4.37Å; V337-L350 HydrophobicContact CG1-CB 4.35Å; V337-L350 HydrophobicContact CG1-CD1 4.04Å; V337-L350 WeakPolarHBondContact O-CA 3.23Å; V337-L350 WeakPolarHBondContact O-CB 3.38Å; V337-L350 PolarHBondContact O-N 2.88Å; V337-G351 PolarHBondContact N-O 2.85Å; V337-G351 PolarHBondContact O-N 2.83Å; V337-L392 HydrophobicContact CB-CD1 4.32Å; V337-L392 HydrophobicContact CG2-CD1 3.71Å; V337-L392 HydrophobicContact CG2-CD2 3.85Å; V337-L392 HydrophobicContact CG2-CG 4.47Å
338W94.2Very high86.9Confident58 Ų5859.5 Ų59.522%0.2231%0.308CS..EExtended strand (participates in β ladder)trans-127.2153.3-174.3-65.277.1000110.6S285 F286 T336 D347 R348 L349S285-W338 CarbonylContact C-O 3.59Å; S285-W338 WeakPolarHBondContact CA-O 3.4Å; F286-W338 HydrophobicContact CD1-CB 4.11Å; F286-W338 HydrophobicContact CD2-CB 4.01Å; F286-W338 HydrophobicContact CD2-CG 4.42Å; F286-W338 HydrophobicContact CE1-CB 3.6Å; F286-W338 HydrophobicContact CE1-CG 4.5Å; F286-W338 HydrophobicContact CE2-CB 3.43Å; F286-W338 VanDerWaalsContact CE2-CB 3.43Å; F286-W338 AromaticContact CE2-CD1 3.74Å; F286-W338 AromaticContact CE2-CG 3.61Å; F286-W338 HydrophobicContact CE2-CG 3.61Å; F286-W338 HydrophobicContact CG-CB 4.32Å; F286-W338 HydrophobicContact CZ-CB 3.23Å; F286-W338 HydrophobicContact CZ-CD2 4.38Å; F286-W338 AromaticContact CZ-CG 3.68Å; F286-W338 HydrophobicContact CZ-CG 3.68Å; F286-W338 PolarHBondContact N-O 2.99Å; F286-W338 PolarHBondContact O-N 2.82Å; T336-W338 PolarHBondContact OG1-NE1 2.84Å; W338-D347 HydrophobicContact CE3-CB 3.79Å; W338-D347 HydrophobicContact CZ3-CB 4.38Å; W338-R348 CarbonylContact C-O 3.54Å; W338-R348 WeakPolarHBondContact CA-O 3.44Å; W338-L349 HydrophobicContact CD2-CB 4.43Å; W338-L349 HydrophobicContact CD2-CD1 4.09Å; W338-L349 HydrophobicContact CE3-CB 4.13Å; W338-L349 HydrophobicContact CH2-CB 4.12Å; W338-L349 HydrophobicContact CH2-CD1 4.38Å; W338-L349 HydrophobicContact CZ2-CB 4.42Å; W338-L349 HydrophobicContact CZ2-CD1 3.83Å; W338-L349 HydrophobicContact CZ3-CB 3.98Å
339D92.1Very high86.9Confident5 Ų563.2 Ų63.23%0.02733%0.328CS..EExtended strand (participates in β ladder)trans-109.2113.1169.7179.340000109.6R278 L283 N284 A341 D347 R348 L350R278-D339 VanDerWaalsContact CZ-CG 3.42Å; R278-D339 IonicContact CZ-OD1 2.82Å; R278-D339 IonicContact CZ-OD2 3.97Å; R278-D339 IonicContact NE-OD1 3.45Å; R278-D339 PolarHBondContact NE-OD1 3.34Å; R278-D339 IonicContact NE-OD2 2.7Å; R278-D339 PolarHBondContact NE-OD2 2.86Å; R278-D339 IonicContact NH1-OD1 3.63Å; R278-D339 IonicContact NH2-OD1 3.34Å; R278-D339 PolarHBondContact NH2-OD1 2.95Å; R278-D339 IonicContact NH2-OD2 2.75Å; R278-D339 PolarHBondContact NH2-OD2 2.89Å; L283-D339 HydrophobicContact CD2-CB 3.91Å; N284-D339 PolarHBondContact N-OD1 3.39Å; D339-A341 PolarHBondContact O-N 2.96Å; D339-D347 WeakPolarHBondContact O-CA 3.01Å; D339-R348 HydrophobicContact CB-CB 4.25Å; D339-R348 PolarHBondContact N-O 2.79Å; D339-R348 PolarHBondContact O-N 2.92Å; D339-R348 IonicContact OD2-NE 3.85Å; D339-L350 HydrophobicContact CB-CD1 3.91Å; D339-L350 HydrophobicContact CB-CD2 3.8Å; D339-L350 HydrophobicContact CB-CG 3.85Å
340Q92Very high87Confident60 Ų6057.4 Ų57.428%0.2831%0.306SS..  trans-68.1115.8-179.2-179.8173.260.300110R278 N284 F286 V305 D347R278-Q340 PolarHBondContact NH2-O 2.83Å; N284-Q340 HydrophobicContact CB-CB 3.98Å; N284-Q340 WeakPolarHBondContact CB-O 3.38Å; N284-Q340 VanDerWaalsContact O-CB 3.29Å; N284-Q340 WeakPolarHBondContact O-CB 3.36Å; N284-Q340 PolarHBondContact O-N 2.84Å; F286-Q340 HydrophobicContact CD1-CB 4.01Å; F286-Q340 HydrophobicContact CE1-CB 3.87Å; V305-Q340 HydrophobicContact CG1-CB 3.98Å; Q340-D347 WeakPolarHBondContact CA-OD1 3.36Å
341A84.1Confident87.1Confident26 Ų2651 Ų5122%0.21528%0.276CS..  trans-68.1153.9-179.100000111.6D339 M345 N346 D347D339-A341 PolarHBondContact O-N 2.96Å; A341-M345 HydrophobicContact CB-CB 3.7Å; A341-N346 WeakPolarHBondContact CB-O 3.23Å; A341-D347 PolarHBondContact N-OD1 2.92Å
342I77.5Confident87.2Confident102 Ų10252.9 Ų52.952%0.52329%0.285SS..SBendtrans-90.6130.9175.7-61.7170000107.1
343F66.9Low87.2Confident198 Ų19851.4 Ų51.487%0.86828%0.276SS*.SBendtrans48.694.5173.6-68.5-68000116.5M345F343-M345 PolarHBondContact O-N 2.9Å
344G60.7Low87Confident93 Ų9356.9 Ų56.996%0.95930%0.297SS*.SBendtrans68.8-2.6162.400000116.9
345M74Confident86.8Confident113 Ų11354.7 Ų54.756%0.55729%0.287SS*.SBendtrans-86.2160.1173.9-64.3-177.674.600111.1A341 F343A341-M345 HydrophobicContact CB-CB 3.7Å; F343-M345 PolarHBondContact O-N 2.9Å
346N82.4Confident86.3Confident137 Ų13755 Ų5573%0.73329%0.289SS*.PPolyproline II helixtrans-74.4140.7175.5-66.8-43.1000111.2A341A341-N346 WeakPolarHBondContact CB-O 3.23Å
347D89.3Confident85.2Confident53 Ų5356.6 Ų56.628%0.28330%0.301SS..PPolyproline II helixtrans-56.4137.9170.8-65.6-18.7000110.4F286 W338 D339 Q340 A341F286-D347 HydrophobicContact CZ-CB 4.35Å; F286-D347 VanDerWaalsContact CZ-OD2 3.25Å; F286-D347 WeakPolarHBondContact CZ-OD2 3.31Å; W338-D347 HydrophobicContact CE3-CB 3.79Å; W338-D347 HydrophobicContact CZ3-CB 4.38Å; D339-D347 WeakPolarHBondContact O-CA 3.01Å; Q340-D347 WeakPolarHBondContact CA-OD1 3.36Å; A341-D347 PolarHBondContact N-OD1 2.92Å
348R88.7Confident83.8Confident46 Ų4664.9 Ų64.917%0.17434%0.337CS..EExtended strand (participates in β ladder)trans-92.4122.6179.3175.8176.677.1164.710.8109.6D139 S141 P276 V277 W338 D339 L350D139-R348 IonicContact OD1-NH1 3.81Å; D139-R348 PolarHBondContact OD1-NH1 3.18Å; D139-R348 IonicContact OD2-CZ 2.88Å; D139-R348 IonicContact OD2-NH1 3.37Å; D139-R348 PolarHBondContact OD2-NH1 2.96Å; S141-R348 PolarHBondContact OG-NH1 3.23Å; S141-R348 VanDerWaalsContact OG-NH1 3.09Å; P276-R348 PolarHBondContact O-NH2 3.02Å; V277-R348 PolarHBondContact O-NH2 3.09Å; W338-R348 CarbonylContact C-O 3.54Å; W338-R348 WeakPolarHBondContact CA-O 3.44Å; D339-R348 HydrophobicContact CB-CB 4.25Å; D339-R348 PolarHBondContact N-O 2.79Å; D339-R348 PolarHBondContact O-N 2.92Å; D339-R348 IonicContact OD2-NE 3.85Å; R348-L350 PolarHBondContact O-N 2.97Å
349L90.5Very high81.8Confident79 Ų7963.8 Ų63.841%0.41434%0.344SS..EExtended strand (participates in β ladder)trans-66.7124.8168.8-179.567.6000108.5T336 W338T336-L349 HydrophobicContact CG2-CD1 4Å; W338-L349 HydrophobicContact CD2-CB 4.43Å; W338-L349 HydrophobicContact CD2-CD1 4.09Å; W338-L349 HydrophobicContact CE3-CB 4.13Å; W338-L349 HydrophobicContact CH2-CB 4.12Å; W338-L349 HydrophobicContact CH2-CD1 4.38Å; W338-L349 HydrophobicContact CZ2-CB 4.42Å; W338-L349 HydrophobicContact CZ2-CD1 3.83Å; W338-L349 HydrophobicContact CZ3-CB 3.98Å
350L89.3Confident79.7Confident3 Ų366 Ų662%0.01637%0.368CS..EExtended strand (participates in β ladder)trans-91.7-33.4177.1-63.4176.8000111.6N233 L275 P276 L283 V337 D339 R348N233-L350 WeakPolarHBondContact CB-O 3.5Å; L275-L350 HydrophobicContact CD1-CD1 4.23Å; P276-L350 HydrophobicContact CG-CB 4.32Å; P276-L350 HydrophobicContact CG-CD2 3.99Å; P276-L350 VanDerWaalsContact O-CD2 3.31Å; P276-L350 WeakPolarHBondContact O-CD2 3.1Å; L283-L350 HydrophobicContact CD1-CD1 3.67Å; L283-L350 HydrophobicContact CD2-CD1 4.07Å; L283-L350 HydrophobicContact CD2-CD2 3.99Å; L283-L350 HydrophobicContact CG-CD1 4.41Å; V337-L350 HydrophobicContact CB-CB 4.37Å; V337-L350 HydrophobicContact CG1-CB 4.35Å; V337-L350 HydrophobicContact CG1-CD1 4.04Å; V337-L350 WeakPolarHBondContact O-CA 3.23Å; V337-L350 WeakPolarHBondContact O-CB 3.38Å; V337-L350 PolarHBondContact O-N 2.88Å; D339-L350 HydrophobicContact CB-CD1 3.91Å; D339-L350 HydrophobicContact CB-CD2 3.8Å; D339-L350 HydrophobicContact CB-CG 3.85Å; R348-L350 PolarHBondContact O-N 2.97Å
351G90.1Very high77.2Confident1 Ų167.9 Ų67.91%0.0139%0.394CS..EExtended strand (participates in β ladder)trans170.9169.4173.100000112.6V337 H393V337-G351 PolarHBondContact N-O 2.85Å; V337-G351 PolarHBondContact O-N 2.83Å; G351-H393 CarbonylContact C-O 3.5Å; G351-H393 WeakPolarHBondContact CA-O 3.17Å
352E93Very high74.9Confident42 Ų4272 Ų7220%0.19643%0.428CS..EExtended strand (participates in β ladder)trans-132.8141.1-173.2-175.9-176.3145.100112.7E334 L335 T336 R354 L392 H393E334-E352 HydrophobicContact CG-CG 3.98Å; E334-E352 WeakPolarHBondContact CG-OE1 3.21Å; L335-E352 CarbonylContact O-C 3.49Å; L335-E352 WeakPolarHBondContact O-CA 3.39Å; T336-E352 HydrophobicContact CG2-CB 4.01Å; T336-E352 HydrophobicContact CG2-CG 3.65Å; E352-R354 WeakPolarHBondContact OE1-CG 3.37Å; E352-R354 IonicContact OE1-CZ 3.72Å; E352-R354 IonicContact OE1-NE 2.67Å; E352-R354 PolarHBondContact OE1-NE 2.98Å; E352-R354 IonicContact OE1-NH1 3.48Å; E352-R354 IonicContact OE1-NH2 3.28Å; E352-R354 PolarHBondContact OE1-NH2 3.14Å; E352-R354 IonicContact OE2-NH2 3.05Å; E352-L392 WeakPolarHBondContact O-CA 3.35Å; E352-H393 PolarHBondContact N-O 2.89Å; E352-H393 PolarHBondContact O-N 3.14Å
353A92.1Very high73.3Confident4 Ų470.4 Ų70.43%0.03344%0.436CS..EExtended strand (participates in β ladder)trans-126.6138.8168.300000110.7L335 L390 L392L335-A353 PolarHBondContact N-O 2.74Å; L335-A353 PolarHBondContact O-N 2.82Å; A353-L390 HydrophobicContact CB-CB 3.72Å; A353-L390 HydrophobicContact CB-CD1 3.89Å; A353-L390 HydrophobicContact CB-CG 4.39Å; A353-L392 HydrophobicContact CB-CD2 4.08Å
354R91.2Very high72.1Confident117 Ų11763.5 Ų63.544%0.44241%0.412SS..EExtended strand (participates in β ladder)trans-117.9133.1177.1-64.3178.7-177.8-90.1-8.8110.4L333 E334 E352 S371L333-R354 WeakPolarHBondContact O-CA 2.85Å; E334-R354 HydrophobicContact CG-CG 4.27Å; E334-R354 IonicContact OE2-CZ 2.78Å; E334-R354 IonicContact OE2-NE 3.65Å; E334-R354 IonicContact OE2-NH1 3.77Å; E334-R354 PolarHBondContact OE2-NH1 3.06Å; E334-R354 IonicContact OE2-NH2 3.62Å; E334-R354 PolarHBondContact OE2-NH2 2.8Å; E352-R354 WeakPolarHBondContact OE1-CG 3.37Å; E352-R354 IonicContact OE1-CZ 3.72Å; E352-R354 IonicContact OE1-NE 2.67Å; E352-R354 PolarHBondContact OE1-NE 2.98Å; E352-R354 IonicContact OE1-NH1 3.48Å; E352-R354 IonicContact OE1-NH2 3.28Å; E352-R354 PolarHBondContact OE1-NH2 3.14Å; E352-R354 IonicContact OE2-NH2 3.05Å; R354-S371 VanDerWaalsContact O-CB 3.22Å; R354-S371 WeakPolarHBondContact O-CB 3.1Å; R354-S371 PolarHBondContact O-OG 3.06Å
355L90Very high71.3Confident1 Ų164.3 Ų64.31%0.00540%0.4CS..EExtended strand (participates in β ladder)trans-119.5130.8170.7-69.9171.7000108.4T332 L333 S371 Q374 W375 M388 L390T332-L355 CarbonylContact C-O 3.56Å; T332-L355 WeakPolarHBondContact CA-O 3.24Å; L333-L355 HydrophobicContact CB-CB 4.32Å; L333-L355 HydrophobicContact CD2-CD1 4.25Å; L333-L355 PolarHBondContact N-O 3.47Å; L333-L355 PolarHBondContact O-N 3.14Å; L355-S371 WeakPolarHBondContact CD2-O 3.25Å; L355-Q374 HydrophobicContact CD2-CB 4.09Å; L355-W375 HydrophobicContact CB-CB 4.43Å; L355-W375 HydrophobicContact CB-CD2 4.27Å; L355-W375 HydrophobicContact CB-CE3 3.76Å; L355-W375 HydrophobicContact CB-CZ3 4.38Å; L355-W375 HydrophobicContact CD1-CE3 4.38Å; L355-M388 HydrophobicContact CD1-CE 3.85Å; L355-M388 HydrophobicContact CD1-SD 4.44Å; L355-L390 HydrophobicContact CD1-CD1 4.05Å; L355-L390 HydrophobicContact CD1-CD2 4.16Å; L355-L390 HydrophobicContact CD2-CD2 3.76Å; L355-L390 HydrophobicContact CG-CD1 4.37Å; L355-L390 HydrophobicContact CG-CD2 4.12Å
356G85.6Confident70.2Confident5 Ų564.5 Ų64.55%0.05240%0.404CS..EExtended strand (participates in β ladder)trans173.2169.5-178.900000112.3K372G356-K372 WeakPolarHBondContact O-CG 3.44Å
357S71Confident68.6Low46 Ų4660.2 Ų60.232%0.32239%0.385SS..SBendtrans-77.4-34.4179.1-176.20000112.3R329 G359 K372R329-S357 WeakPolarHBondContact O-CB 3.47Å; R329-S357 PolarHBondContact O-OG 2.82Å; S357-G359 PolarHBondContact O-N 3.15Å; S357-K372 WeakPolarHBondContact O-CE 3.36Å
358K65.6Low67Low173 Ų17358.6 Ų58.675%0.75238%0.38SS*.SBendtrans-75.7121.5170.7-71.4-172.6176.8-177.40108.9
359G51.9Low65.8Low36 Ų3659.1 Ų59.137%0.37139%0.391SS..PPolyproline II helixtrans-60.9141.1175.800000110.6S357S357-G359 PolarHBondContact O-N 3.15Å
360G48Very low65.2Low50 Ų5059.9 Ų59.952%0.51539%0.392SS..PPolyproline II helixtrans-53.5156.2171.800000111.6
361A39.2Very low64.7Low100 Ų10061.2 Ų61.283%0.82640%0.402SS*.SBendtrans-46.3142.9-175.300000113.2G363A361-G363 PolarHBondContact O-N 3.04Å; A361-G363 VanDerWaalsContact O-N 3.17Å
362A35.4Very low64.4Low113 Ų11365 Ų6593%0.93442%0.418SS*.SBendtrans-46.3114-179.700000112.2
363G44Very low64Low68 Ų6867.7 Ų67.770%0.70143%0.433SS*.SBendtrans178.2-27.2175.800000115.1A361A361-G363 PolarHBondContact O-N 3.04Å; A361-G363 VanDerWaalsContact O-N 3.17Å
364C41.6Very low63.8Low53 Ų5368.1 Ų68.136%0.35843%0.434SS..  trans-150.2120.1176.5-155.90000111.2D366C364-D366 PolarHBondContact O-N 3.49Å
365P44.6Very low63.8Low110 Ų11062.6 Ų62.671%0.71441%0.414SS*.THydrogen-bonded Turntrans-66-25-177.223.7-30.8000113.3
366D49.8Very low63.8Low118 Ų11866.4 Ų66.463%0.63143%0.431SS*.THydrogen-bonded Turntrans-90.2-39.8-167.9-62.2-18.7000113.6C364 S369 Q370C364-D366 PolarHBondContact O-N 3.49Å; D366-S369 WeakPolarHBondContact O-CB 3.19Å; D366-S369 PolarHBondContact O-N 3.28Å; D366-S369 PolarHBondContact O-OG 2.81Å; D366-Q370 PolarHBondContact O-N 3.23Å
367S49.2Very low64Low47 Ų4772.8 Ų72.833%0.32945%0.454SS..Hα-helixtrans-69.8-37.4-178.466.70000112.5S369 Q370 S371S367-S369 PolarHBondContact O-N 2.86Å; S367-Q370 PolarHBondContact O-N 3.15Å; S367-S371 PolarHBondContact O-N 3.39Å
368G55.8Low64.9Low18 Ų1870.6 Ų70.619%0.18644%0.438CS..Hα-helixtrans-63.6-24.5174.700000113.1K372G368-K372 WeakPolarHBondContact O-CB 3.5Å; G368-K372 WeakPolarHBondContact O-CD 3.39Å; G368-K372 WeakPolarHBondContact O-CG 3.49Å
369S64.7Low66Low57 Ų5762.8 Ų62.840%0.39941%0.405SS..Hα-helixtrans-76.7-44178.880.40000111.9D366 S367 K372 L373D366-S369 WeakPolarHBondContact O-CB 3.19Å; D366-S369 PolarHBondContact O-N 3.28Å; D366-S369 PolarHBondContact O-OG 2.81Å; S367-S369 PolarHBondContact O-N 2.86Å; S369-K372 PolarHBondContact O-N 3.12Å; S369-L373 VanDerWaalsContact O-CG 3.27Å; S369-L373 WeakPolarHBondContact O-CG 3.32Å; S369-L373 PolarHBondContact O-N 2.8Å
370Q77.1Confident67.8Low96 Ų9665.3 Ų65.345%0.44942%0.417SS..Hα-helixtrans-67.3-46.6-176.5-168.4-175.14100111.6D366 S367 K372 L373 Q374D366-Q370 PolarHBondContact O-N 3.23Å; S367-Q370 PolarHBondContact O-N 3.15Å; Q370-K372 VanDerWaalsContact C-N 3.32Å; Q370-K372 PolarHBondContact O-N 3.03Å; Q370-L373 PolarHBondContact O-N 2.94Å; Q370-Q374 WeakPolarHBondContact O-CB 3.15Å; Q370-Q374 WeakPolarHBondContact O-CG 3.02Å; Q370-Q374 PolarHBondContact O-N 3.24Å
371S79.5Confident69.7Low30 Ų3065.1 Ų65.121%0.2141%0.408CS..Hα-helixtrans-62-38.4178.1-67.60000112.8R354 L355 S367 W375R354-S371 VanDerWaalsContact O-CB 3.22Å; R354-S371 WeakPolarHBondContact O-CB 3.1Å; R354-S371 PolarHBondContact O-OG 3.06Å; L355-S371 WeakPolarHBondContact CD2-O 3.25Å; S367-S371 PolarHBondContact O-N 3.39Å; S371-W375 WeakPolarHBondContact O-CB 3.37Å; S371-W375 PolarHBondContact O-N 3.33Å
372K82.1Confident72Confident80 Ų8062.8 Ų62.835%0.34838%0.384SS..Hα-helixtrans-64-48.6174.1-78.9176.9-173-1800111.5G356 S357 G368 S369 Q370 Q374 W375 H376G356-K372 WeakPolarHBondContact O-CG 3.44Å; S357-K372 WeakPolarHBondContact O-CE 3.36Å; G368-K372 WeakPolarHBondContact O-CB 3.5Å; G368-K372 WeakPolarHBondContact O-CD 3.39Å; G368-K372 WeakPolarHBondContact O-CG 3.49Å; S369-K372 PolarHBondContact O-N 3.12Å; Q370-K372 VanDerWaalsContact C-N 3.32Å; Q370-K372 PolarHBondContact O-N 3.03Å; K372-Q374 VanDerWaalsContact C-N 3.31Å; K372-Q374 PolarHBondContact O-N 3.34Å; K372-W375 PolarHBondContact O-N 3.26Å; K372-H376 WeakPolarHBondContact O-CB 3.11Å; K372-H376 PolarHBondContact O-CD2 2.81Å; K372-H376 PolarHBondContact O-N 2.94Å
373L86.4Confident74.6Confident99 Ų9961 Ų6152%0.51836%0.359SS..Hα-helixtrans-59.8-44.3179.5-73.8167.4000111.2S369 Q370 H376 R377S369-L373 VanDerWaalsContact O-CG 3.27Å; S369-L373 WeakPolarHBondContact O-CG 3.32Å; S369-L373 PolarHBondContact O-N 2.8Å; Q370-L373 PolarHBondContact O-N 2.94Å; L373-H376 PolarHBondContact O-N 2.97Å; L373-R377 WeakPolarHBondContact O-CG 3.39Å; L373-R377 PolarHBondContact O-N 3.37Å
374Q88Confident76.9Confident13 Ų1363 Ų636%0.06135%0.353CS..Hα-helixtrans-60.3-47.5175.4-80.7-178.7-1.900111.8L355 Q370 K372 H376 R377 V378 M388 T389L355-Q374 HydrophobicContact CD2-CB 4.09Å; Q370-Q374 WeakPolarHBondContact O-CB 3.15Å; Q370-Q374 WeakPolarHBondContact O-CG 3.02Å; Q370-Q374 PolarHBondContact O-N 3.24Å; K372-Q374 VanDerWaalsContact C-N 3.31Å; K372-Q374 PolarHBondContact O-N 3.34Å; Q374-H376 PolarHBondContact O-N 2.91Å; Q374-R377 PolarHBondContact O-N 3.31Å; Q374-V378 WeakPolarHBondContact O-CG2 3.43Å; Q374-V378 PolarHBondContact O-N 2.96Å; Q374-M388 HydrophobicContact CB-CG 4.24Å; Q374-M388 HydrophobicContact CB-SD 3.6Å; Q374-M388 VanDerWaalsContact CB-SD 3.6Å; Q374-M388 HydrophobicContact CG-CB 4.49Å; Q374-M388 HydrophobicContact CG-CG 4.13Å; Q374-M388 HydrophobicContact CG-SD 4.16Å; Q374-T389 PolarHBondContact NE2-O 3.34Å
375W90.3Very high79.4Confident1 Ų166 Ų660%0.00436%0.357CS..Hα-helixtrans-60.4-45.4175.8-171.2-117.6000112.2L265 L291 L328 L333 L355 S371 K372 R377 V378 L379L265-W375 HydrophobicContact CD2-CH2 3.66Å; L265-W375 HydrophobicContact CD2-CZ3 4.19Å; L291-W375 HydrophobicContact CD1-CH2 4.46Å; L328-W375 HydrophobicContact CB-CZ2 4.39Å; L328-W375 HydrophobicContact CD2-CH2 4.38Å; L328-W375 HydrophobicContact CD2-CZ2 4.2Å; L328-W375 PolarHBondContact O-NE1 3.34Å; L328-W375 VanDerWaalsContact O-NE1 3.14Å; L333-W375 HydrophobicContact CB-CH2 4.07Å; L333-W375 HydrophobicContact CB-CZ3 4.05Å; L333-W375 HydrophobicContact CD2-CH2 4.43Å; L333-W375 HydrophobicContact CD2-CZ3 3.88Å; L355-W375 HydrophobicContact CB-CB 4.43Å; L355-W375 HydrophobicContact CB-CD2 4.27Å; L355-W375 HydrophobicContact CB-CE3 3.76Å; L355-W375 HydrophobicContact CB-CZ3 4.38Å; L355-W375 HydrophobicContact CD1-CE3 4.38Å; S371-W375 WeakPolarHBondContact O-CB 3.37Å; S371-W375 PolarHBondContact O-N 3.33Å; K372-W375 PolarHBondContact O-N 3.26Å; W375-R377 VanDerWaalsContact C-N 3.35Å; W375-R377 PolarHBondContact O-N 3.32Å; W375-V378 PolarHBondContact O-N 3.21Å; W375-L379 HydrophobicContact CZ2-CD2 4.49Å; W375-L379 WeakPolarHBondContact O-CG 3.5Å; W375-L379 PolarHBondContact O-N 2.68Å
376H89.2Confident81.7Confident81 Ų8161.8 Ų61.838%0.37533%0.329SS..Hα-helixtrans-61.1-40.2176.3-85.2-71.3000112.6K372 L373 Q374 V378 L379 S380K372-H376 WeakPolarHBondContact O-CB 3.11Å; K372-H376 PolarHBondContact O-CD2 2.81Å; K372-H376 PolarHBondContact O-N 2.94Å; L373-H376 PolarHBondContact O-N 2.97Å; Q374-H376 PolarHBondContact O-N 2.91Å; H376-V378 VanDerWaalsContact C-N 3.35Å; H376-V378 PolarHBondContact O-N 3.08Å; H376-L379 PolarHBondContact O-N 2.69Å; H376-S380 WeakPolarHBondContact O-CB 3.14Å; H376-S380 PolarHBondContact O-N 3.45Å; H376-S380 PolarHBondContact O-OG 3.46Å
377R89.8Confident83.8Confident139 Ų13960.4 Ų60.453%0.52532%0.322SS..Hα-helixtrans-58.8-45.4175.4-73.7178.7-142.9174.22.8111.9L373 Q374 W375 L379 S380 S381 T386L373-R377 WeakPolarHBondContact O-CG 3.39Å; L373-R377 PolarHBondContact O-N 3.37Å; Q374-R377 PolarHBondContact O-N 3.31Å; W375-R377 VanDerWaalsContact C-N 3.35Å; W375-R377 PolarHBondContact O-N 3.32Å; R377-L379 VanDerWaalsContact C-N 3.26Å; R377-L379 PolarHBondContact O-N 2.9Å; R377-S380 PolarHBondContact O-N 3.38Å; R377-S381 WeakPolarHBondContact O-CB 3.46Å; R377-S381 PolarHBondContact O-N 3.05Å; R377-S381 VanDerWaalsContact O-N 3.08Å; R377-T386 HydrophobicContact CB-CG2 4.16Å
378V90.7Very high85.9Confident0 Ų058.6 Ų58.60%031%0.308CS..Hα-helixtrans-58.4-40.1177.2177.30000111.4A240 L265 Q374 W375 H376 T386 M388A240-V378 HydrophobicContact CB-CG1 3.84Å; A240-V378 HydrophobicContact CB-CG2 3.75Å; L265-V378 HydrophobicContact CD1-CG1 4.16Å; Q374-V378 WeakPolarHBondContact O-CG2 3.43Å; Q374-V378 PolarHBondContact O-N 2.96Å; W375-V378 PolarHBondContact O-N 3.21Å; H376-V378 VanDerWaalsContact C-N 3.35Å; H376-V378 PolarHBondContact O-N 3.08Å; V378-T386 HydrophobicContact CG2-CG2 4.1Å; V378-M388 HydrophobicContact CG2-CE 3.84Å; V378-M388 HydrophobicContact CG2-SD 3.72Å
379L89.5Confident87.6Confident10 Ų1060.8 Ų60.85%0.05232%0.318CS..Hα-helixtrans-79.6-30.6-178.5-60.3-176.8000113.7L242 L328 R329 W375 H376 R377L242-L379 HydrophobicContact CD2-CD2 4.02Å; L328-L379 HydrophobicContact CB-CD1 4.39Å; L328-L379 HydrophobicContact CB-CD2 3.7Å; L328-L379 HydrophobicContact CD1-CD2 3.94Å; L328-L379 HydrophobicContact CG-CD2 4.45Å; R329-L379 HydrophobicContact CG-CD1 3.85Å; W375-L379 HydrophobicContact CZ2-CD2 4.49Å; W375-L379 WeakPolarHBondContact O-CG 3.5Å; W375-L379 PolarHBondContact O-N 2.68Å; H376-L379 PolarHBondContact O-N 2.69Å; R377-L379 VanDerWaalsContact C-N 3.26Å; R377-L379 PolarHBondContact O-N 2.9Å
380S88.5Confident88.9Confident89 Ų8958.3 Ų58.362%0.62230%0.3SS*.Hα-helixtrans-82.1-17.2-179.7-64.30000113.2H376 R377 P382H376-S380 WeakPolarHBondContact O-CB 3.14Å; H376-S380 PolarHBondContact O-N 3.45Å; H376-S380 PolarHBondContact O-OG 3.46Å; R377-S380 PolarHBondContact O-N 3.38Å; S380-P382 WeakPolarHBondContact O-CD 3.29Å
381S88.5Confident89.4Confident46 Ų4656 Ų5632%0.32229%0.292SS..SBendtrans-115.865.3178.3-60.70000111.1R377 L384R377-S381 WeakPolarHBondContact O-CB 3.46Å; R377-S381 PolarHBondContact O-N 3.05Å; R377-S381 VanDerWaalsContact O-N 3.08Å; S381-L384 PolarHBondContact O-N 3.23Å
382P87.5Confident89.8Confident51 Ų5154.6 Ų54.633%0.33128%0.282SS..THydrogen-bonded Turntrans-59.8148.8178.128.3-35.1000110.5L244 S380 L384L244-P382 HydrophobicContact CD1-CB 3.81Å; L244-P382 HydrophobicContact CD1-CG 4.43Å; L244-P382 HydrophobicContact CG-CB 4.25Å; S380-P382 WeakPolarHBondContact O-CD 3.29Å; P382-L384 PolarHBondContact O-N 2.96Å; P382-L384 VanDerWaalsContact O-N 3.1Å
383N89.6Confident89.8Confident75 Ų7554.8 Ų54.840%0.40128%0.284SS..THydrogen-bonded Turntrans64.41.7-177.4-57.7-47.1000115.8K241 L242 V243 L244K241-N383 VanDerWaalsContact CE-C 3.44Å; K241-N383 WeakPolarHBondContact CE-O 3.11Å; K241-N383 PolarHBondContact NZ-O 3.45Å; L242-N383 PolarHBondContact O-N 3.27Å; V243-N383 WeakPolarHBondContact CA-OD1 3.3Å; L244-N383 PolarHBondContact N-OD1 2.74Å
384L92.9Very high90Very high109 Ų10952.6 Ų52.657%0.57127%0.273SS*.SBendtrans-107.1148174.5-64.6172.3000111.2S381 P382S381-L384 PolarHBondContact O-N 3.23Å; P382-L384 PolarHBondContact O-N 2.96Å; P382-L384 VanDerWaalsContact O-N 3.1Å
385W93.6Very high90.1Very high118 Ų11854.6 Ų54.645%0.44728%0.284SS..  trans-82.9133.6173-72.6112.5000110.1R239 K241 C266 V268R239-W385 HydrophobicContact CG-CB 4.01Å; R239-W385 HydrophobicContact CG-CD2 3.89Å; R239-W385 HydrophobicContact CG-CE3 3.32Å; R239-W385 HydrophobicContact CG-CG 4.23Å; R239-W385 HydrophobicContact CG-CZ3 3.96Å; K241-W385 HydrophobicContact CB-CD2 3.68Å; K241-W385 HydrophobicContact CB-CE3 3.27Å; K241-W385 HydrophobicContact CB-CG 4.38Å; K241-W385 HydrophobicContact CB-CH2 4.21Å; K241-W385 HydrophobicContact CB-CZ2 4.49Å; K241-W385 HydrophobicContact CB-CZ3 3.59Å; K241-W385 HydrophobicContact CD-CD2 3.81Å; K241-W385 HydrophobicContact CD-CE3 4.26Å; K241-W385 HydrophobicContact CD-CG 4.17Å; K241-W385 HydrophobicContact CD-CZ2 4.13Å; K241-W385 HydrophobicContact CG-CD2 4.38Å; K241-W385 HydrophobicContact CG-CE3 4.39Å; C266-W385 HydrophobicContact CB-CH2 3.96Å; C266-W385 HydrophobicContact CB-CZ3 4.2Å; V268-W385 HydrophobicContact CG2-CH2 3.66Å; V268-W385 HydrophobicContact CG2-CZ3 3.82Å
386T93.6Very high90.1Very high20 Ų2057.6 Ų57.612%0.12330%0.299CS..EExtended strand (participates in β ladder)trans-117.8122.9174.7-56.90000109.4R239 A240 R377 V378 M388R239-T386 CarbonylContact C-O 3.59Å; R239-T386 VanDerWaalsContact CA-O 3.32Å; R239-T386 WeakPolarHBondContact CA-O 3.38Å; A240-T386 PolarHBondContact N-O 2.77Å; A240-T386 PolarHBondContact O-N 2.8Å; R377-T386 HydrophobicContact CB-CG2 4.16Å; V378-T386 HydrophobicContact CG2-CG2 4.1Å; T386-M388 HydrophobicContact CG2-CG 4.09Å; T386-M388 HydrophobicContact CG2-SD 4.4Å
387D93.8Very high90.2Very high90 Ų9056.2 Ų56.248%0.48130%0.295SS..EExtended strand (participates in β ladder)trans-90.3136.3178-69.92.8000110.2R239R239-D387 WeakPolarHBondContact CB-OD1 3.42Å; R239-D387 WeakPolarHBondContact CD-OD1 3.15Å; R239-D387 WeakPolarHBondContact CG-OD1 3.43Å; R239-D387 IonicContact CZ-OD1 3.43Å; R239-D387 IonicContact CZ-OD2 3.64Å; R239-D387 IonicContact NE-OD1 2.64Å; R239-D387 PolarHBondContact NE-OD1 2.75Å; R239-D387 IonicContact NE-OD2 3.61Å; R239-D387 IonicContact NH2-OD1 3.38Å; R239-D387 PolarHBondContact NH2-OD1 2.75Å; R239-D387 IonicContact NH2-OD2 2.8Å; R239-D387 PolarHBondContact NH2-OD2 3.21Å
388M92.6Very high90.2Very high8 Ų851.1 Ų51.14%0.03928%0.281CS..EExtended strand (participates in β ladder)trans-143140-174.6-56177.6-63.700110.2V238 A240 L355 Q374 V378 T386 L390V238-M388 HydrophobicContact CG2-CB 3.96Å; V238-M388 HydrophobicContact CG2-CE 3.77Å; V238-M388 PolarHBondContact N-O 2.66Å; V238-M388 PolarHBondContact O-N 3Å; A240-M388 HydrophobicContact CB-CE 3.67Å; L355-M388 HydrophobicContact CD1-CE 3.85Å; L355-M388 HydrophobicContact CD1-SD 4.44Å; Q374-M388 HydrophobicContact CB-CG 4.24Å; Q374-M388 HydrophobicContact CB-SD 3.6Å; Q374-M388 VanDerWaalsContact CB-SD 3.6Å; Q374-M388 HydrophobicContact CG-CB 4.49Å; Q374-M388 HydrophobicContact CG-CG 4.13Å; Q374-M388 HydrophobicContact CG-SD 4.16Å; V378-M388 HydrophobicContact CG2-CE 3.84Å; V378-M388 HydrophobicContact CG2-SD 3.72Å; T386-M388 HydrophobicContact CG2-CG 4.09Å; T386-M388 HydrophobicContact CG2-SD 4.4Å; M388-L390 HydrophobicContact CB-CD2 4.38Å
389T91.9Very high90.1Very high65 Ų6554.5 Ų54.540%0.39930%0.299SS..EExtended strand (participates in β ladder)trans-109.9122.5166.9-56.70000107.3E235 Q374E235-T389 HydrophobicContact CB-CG2 3.89Å; E235-T389 HydrophobicContact CG-CG2 4.23Å; Q374-T389 PolarHBondContact NE2-O 3.34Å
390L91.1Very high90.2Very high4 Ų457.6 Ų57.62%0.02132%0.317CS..EExtended strand (participates in β ladder)trans-106.1129.7-178.6-52178.1000109.2E235 L236 V238 L335 A353 L355 M388E235-L390 CarbonylContact C-O 3.59Å; E235-L390 VanDerWaalsContact CA-O 3.29Å; E235-L390 WeakPolarHBondContact CA-O 3.34Å; L236-L390 HydrophobicContact CB-CB 4.43Å; L236-L390 PolarHBondContact N-O 2.64Å; L236-L390 PolarHBondContact O-N 3.04Å; V238-L390 HydrophobicContact CG1-CD1 4.34Å; V238-L390 HydrophobicContact CG2-CD1 3.87Å; V238-L390 HydrophobicContact CG2-CG 4.11Å; L335-L390 HydrophobicContact CD1-CD1 3.62Å; A353-L390 HydrophobicContact CB-CB 3.72Å; A353-L390 HydrophobicContact CB-CD1 3.89Å; A353-L390 HydrophobicContact CB-CG 4.39Å; L355-L390 HydrophobicContact CD1-CD1 4.05Å; L355-L390 HydrophobicContact CD1-CD2 4.16Å; L355-L390 HydrophobicContact CD2-CD2 3.76Å; L355-L390 HydrophobicContact CG-CD1 4.37Å; L355-L390 HydrophobicContact CG-CD2 4.12Å; M388-L390 HydrophobicContact CB-CD2 4.38Å
391V88.7Confident90.3Very high48 Ų4855.2 Ų55.229%0.29129%0.293SS..EExtended strand (participates in β ladder)trans-75130.5168.8-178.60000108.2N232N232-V391 HydrophobicContact CB-CG1 4.43Å
392L88Confident90.5Very high0 Ų056 Ų560%029%0.291CS..  trans-88.4128.9174.8-64.1170000108.6N233 G234 L236 L275 V337 E352 A353N233-L392 HydrophobicContact CB-CB 4.14Å; N233-L392 PolarHBondContact N-O 3.19Å; G234-L392 WeakPolarHBondContact O-CB 3.27Å; G234-L392 PolarHBondContact O-N 3.46Å; L236-L392 HydrophobicContact CB-CD1 4.27Å; L236-L392 HydrophobicContact CB-CD2 4.01Å; L236-L392 HydrophobicContact CB-CG 4.16Å; L236-L392 HydrophobicContact CD2-CD2 4.47Å; L275-L392 HydrophobicContact CD2-CD1 3.42Å; L275-L392 VanDerWaalsContact CD2-CD1 3.42Å; V337-L392 HydrophobicContact CB-CD1 4.32Å; V337-L392 HydrophobicContact CG2-CD1 3.71Å; V337-L392 HydrophobicContact CG2-CD2 3.85Å; V337-L392 HydrophobicContact CG2-CG 4.47Å; E352-L392 WeakPolarHBondContact O-CA 3.35Å; A353-L392 HydrophobicContact CB-CD2 4.08Å
393H82.1Confident90.7Very high84 Ų8456.5 Ų56.539%0.38929%0.287SS..  trans-1020177.1-66.3-58.4000113.4Q231 N233 G351 E352Q231-H393 WeakPolarHBondContact O-CA 3.45Å; Q231-H393 PolarHBondContact O-ND1 2.83Å; N233-H393 PolarHBondContact ND2-O 3.1Å; N233-H393 VanDerWaalsContact ND2-O 3.09Å; N233-H393 PolarHBondContact ND2-OXT 3.44Å; G351-H393 CarbonylContact C-O 3.5Å; G351-H393 WeakPolarHBondContact CA-O 3.17Å; E352-H393 PolarHBondContact N-O 2.89Å; E352-H393 PolarHBondContact O-N 3.14Å

Retrieved 393 of 393 residues in 879.3 ms (Link to these results)