A0A087Y5W5_POEFO Loading...

Delta/notch-like EGF repeat containing

AlphaFold DB , UniProt , Accession A0A087Y5W5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 770 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M32Very low29.7Very low231 Ų231125.6 Ų125.6100%1.13881%0.81SS**  093.10-60168.8-174.300105
2C25.6Very low29.2Very low121 Ų121124.7 Ų124.782%0.81881%0.807SS**  6911662.5-510000109.5
3V31.1Very low29Very low136 Ų136134 Ų13482%0.82482%0.816SS**  cis-140.6150.814.8175.80000113.1
4S31.5Very low29Very low105 Ų105141.3 Ų141.373%0.73482%0.821SS**  trans-24.1175.1159.1-58.60000121.3
5S33.7Very low28.9Very low105 Ų105140.7 Ų140.773%0.73482%0.82SS**  cis178.6165.1-23-80.50000110.8
6V32.2Very low28.7Very low134 Ų134142.5 Ų142.581%0.81282%0.818SS**  trans-1.1145.8142.7177.50000118.3
7T30.4Very low28.7Very low122 Ų122139.9 Ų139.975%0.74882%0.818SS**  cis-116.5-177.915.625.40000113.5
8A29.3Very low28.7Very low88 Ų88136.9 Ų136.973%0.72781%0.812SS**  cis93.8161.418.800000118.7
9V27.6Very low28.6Very low133 Ų133141.5 Ų141.581%0.80681%0.814SS**  trans97.292.2170.6-168.70000120.1
10A27.7Very low28.5Very low94 Ų94144.4 Ų144.478%0.77782%0.817SS**  37.6146.3123.500000126.3
11S25.8Very low28.6Very low113 Ų113143.9 Ų143.979%0.7981%0.811SS**  trans94.7101.1135.2-148.70000122.4
12C23.7Very low28.6Very low114 Ų114139.8 Ų139.877%0.7780%0.799SS**  29.9118.9123.2-1700000121.1
13R25.9Very low28.8Very low246 Ų246143.2 Ų143.293%0.92880%0.8SS**  -167.2162.5121-109.1173.8-175.1-1590.8114.3
14R30.1Very low29.9Very low236 Ų236141.8 Ų141.889%0.89179%0.794SS**  trans-74.3162.7171.3-57.3169.3173.9165.4-4.4111.3
15V26.3Very low30Very low133 Ų133143.9 Ų143.981%0.80680%0.796SS**  -165.4158122.4136.50000113.2
16Q26.8Very low29.8Very low169 Ų169145.4 Ų145.479%0.7980%0.795SS**  trans-66.9179.7-163.6-59.4142.8-81.500118.9
17A28.3Very low29.6Very low99 Ų99145.4 Ų145.482%0.81879%0.79SS**  trans88.2153146.600000119.4
18A29.3Very low29.7Very low85 Ų85146.5 Ų146.570%0.70279%0.791SS**  cis-169.9154.5-27.200000112.4
19W26.2Very low29.8Very low224 Ų224149 Ų14985%0.84879%0.791SS**  trans58.9118.1147.4-84.443.8000122.6L21W19-L21 HydrophobicContact CE3-CD1 3.89Å; W19-L21 HydrophobicContact CZ3-CD1 3.88Å
20K27.2Very low29.9Very low200 Ų200150.2 Ų150.287%0.8779%0.792SS**  -175.7118.5120.3-96.6161.7-175.7178.80108.3
21L30.4Very low30Very low133 Ų133153.3 Ų153.370%0.69680%0.795SS**  68.9102.367.3-85.7169000115.9W19W19-L21 HydrophobicContact CE3-CD1 3.89Å; W19-L21 HydrophobicContact CZ3-CD1 3.88Å
22T31.1Very low31.1Very low145 Ų145154.2 Ų154.289%0.8980%0.798SS**  -162.5155.911624.10000111.2
23F30.4Very low31.4Very low193 Ų193152 Ų15285%0.84679%0.794SS**  trans-142.4163.5177.6-129.3-64.8000107.7
24P53.8Low31.7Very low106 Ų106152.8 Ų152.869%0.68880%0.797SS**  -150.1153.3107.637.4-21.1000116.7
25L33.2Very low31.6Very low150 Ų150144.8 Ų144.879%0.78579%0.788SS**  trans33.1148.1143.9-79.256.8000120.9
26L29.4Very low31.9Very low136 Ų136144.3 Ų144.371%0.71279%0.785SS**  cis-159.5154.241.1-164.971.1000113.1
27L29.4Very low32.1Very low134 Ų134145.4 Ų145.470%0.70279%0.791SS**  trans24131.6162.3-85.645.7000121.8
28L32.3Very low32.1Very low146 Ų146144.5 Ų144.576%0.76479%0.79SS**  62.3124.862.7-81.8151.3000113
29L31Very low32.4Very low139 Ų139147.2 Ų147.273%0.72880%0.798SS**  cis-156.4151.447-88.5163.4000115.5
30L30Very low33.3Very low159 Ų159142.3 Ų142.383%0.83280%0.795SS**  trans77.8138.8143.2-68.6166.3000124.7
31L30.5Very low33.7Very low160 Ų160137.6 Ų137.684%0.83879%0.787SS**  trans-104.9-165.8171.5-61.6159000108.8
32P47.4Very low34.9Very low132 Ų132135.8 Ų135.886%0.85778%0.783SS**  cis-121.1-166.4-1818.77.9000111.1
33G31.1Very low34.8Very low66 Ų66137.2 Ų137.268%0.6878%0.778SS**  cis145156.5-4.200000112.6
34R30.7Very low34.8Very low263 Ų263135.1 Ų135.199%0.99277%0.77SS**  trans68.7150.2-171.1-61.5174.9164.4160.4-6.2115.5
35G28.5Very low33.7Very low69 Ų69137.7 Ų137.771%0.71178%0.778SS**  cis142.7153.5-15.700000116.1
36V32.9Very low33.6Very low122 Ų122134.8 Ų134.874%0.73978%0.775SS**  trans88.4107.3155.6-172.90000120.1
37Q30.1Very low34.3Very low193 Ų193133.4 Ų133.490%0.90277%0.774SS**  trans59.6152.8143.1-63.2167.8-11.400122.7
38G29.4Very low34.5Very low79 Ų79134.1 Ų134.181%0.81478%0.779SS**  trans155.162161.700000119.3
39V35.4Very low34.5Very low143 Ų143133.6 Ų133.687%0.86778%0.782SS**  trans-90.4134.5167.2171.30000107.5
40P45.5Very low34.9Very low120 Ų120133 Ų13378%0.77979%0.786SS**  -151.1-179.370.741.4-20000119
41S34.6Very low35.1Very low101 Ų101130.6 Ų130.671%0.70678%0.783SS**  trans-79.1-160.316659.50000110.8
42P56.6Low35.7Very low95 Ų95128.7 Ų128.762%0.61778%0.78SS**  cis-142.9-161.26.224.85000116.1
43F29Very low34.9Very low175 Ų175127.1 Ų127.177%0.76878%0.778SS**  trans73.7152.6168.7-68.4-97.1000118.2
44Q29.4Very low35.1Very low149 Ų149133 Ų13370%0.69679%0.788SS**  cis-169.7172.8-37-145.9178.417.800109.8
45L30.7Very low35.4Very low161 Ų161126.1 Ų126.184%0.84378%0.778SS**  trans76.2140.2161.6-64.3158.2000118.8
46A31.1Very low35.6Very low88 Ų88128.3 Ų128.373%0.72778%0.782SS**  trans-103.9175.9165.200000109.3
47P45.5Very low36.4Very low107 Ų107128.6 Ų128.670%0.69579%0.786SS**  -150.8-16880.841.7-22.3000115.6
48D33.2Very low37Very low150 Ų150126.1 Ų126.180%0.80279%0.785SS**  trans73.6101.1156-57.9-23.3000121.5
49T32.7Very low37.4Very low135 Ų135131.3 Ų131.383%0.82879%0.787SS**  trans-63.9147.515443.10000112.2
50P38.3Very low37.7Very low126 Ų126130.2 Ų130.282%0.81878%0.784SS**  -134.3172.283.736.1-22.9000115.3
51S35.3Very low37.5Very low108 Ų108130.3 Ų130.376%0.75578%0.782SS**  trans-75.4168.9175.776.40000111.4
52P42.5Very low38.1Very low120 Ų120131.4 Ų131.478%0.77979%0.787SS**  -147.8-165.253.943.5-22.8000116.4
53A30.2Very low38.1Very low100 Ų100136.8 Ų136.883%0.82680%0.795SS**  trans86.4123.2163.200000118.4
54E36Very low39.5Very low190 Ų190133 Ų13389%0.88879%0.787SS**  trans-104.8131.2179.7176.4180-148.600109.8
55P36.3Very low41.2Very low118 Ų118130 Ų13077%0.76678%0.776SS**PPolyproline II helixtrans-95.2152.617435.6-32.2000112.9
56S33.1Very low42.8Very low114 Ų114124 Ų12480%0.79775%0.747SS**PPolyproline II helixtrans-73.9157.6-177.137.10000114.5
57P49.4Very low44.7Very low129 Ų129121.1 Ų121.184%0.83872%0.721SS**PPolyproline II helixtrans-82.4150.9-163.232-37.3000115.2
58T42.1Very low46Very low141 Ų141123.3 Ų123.387%0.86572%0.722SS**PPolyproline II helixtrans-87.3165168.8350000113.1
59Q37.8Very low47.7Very low187 Ų187119.4 Ų119.487%0.87472%0.718SS**PPolyproline II helixtrans-67.6144.3-169.5-167.8172.8-17.100113.6
60P42.1Very low49.5Very low121 Ų121123 Ų12379%0.78672%0.716SS**PPolyproline II helixtrans-79.5155.8-16931.4-37.5000115.1
61T42.2Very low51.1Low122 Ų122118.3 Ų118.375%0.74869%0.685SS**PPolyproline II helixtrans-77.9161.6170.245.10000112.8
62P47.1Very low53.1Low124 Ų124113.9 Ų113.981%0.80566%0.655SS**PPolyproline II helixtrans-60.1150.5165.9-18.131.9000111.1
63R55.7Low54.7Low208 Ų208112.5 Ų112.579%0.78564%0.64SS**PPolyproline II helixtrans-99143.6174.4-71-176.9-89.4-163.9-3.8109.9W91R63-W91 HydrophobicContact CB-CH2 3.65Å; R63-W91 HydrophobicContact CB-CZ2 3.83Å; R63-W91 HydrophobicContact CG-CH2 4.35Å; R63-W91 HydrophobicContact CG-CZ2 4.27Å
64P58.9Low56.5Low94 Ų94111.7 Ų111.761%0.6162%0.622SS**PPolyproline II helixtrans-71.1160.3179.831.1-36000112.1
65D64.3Low58.1Low87 Ų87106 Ų10647%0.46562%0.615SS.*PPolyproline II helixtrans-89.9124.9-178.8-179.2-24.3000110.5C67 E68D65-C67 PolarHBondContact O-N 3.24Å; D65-C67 WeakPolarHBondContact OD1-CB 3Å; D65-C67 PolarHBondContact OD1-N 3.03Å; D65-E68 HydrophobicContact CB-CG 4.2Å; D65-E68 PolarHBondContact O-N 3.25Å
66P64.9Low60.1Low35 Ų35101.1 Ų101.123%0.22759%0.585CS.*G310 helixtrans-63.4-20.9-178.726.9-35.2000114.2A80 W91P66-A80 HydrophobicContact CG-CB 3.82Å; P66-W91 HydrophobicContact CB-CB 4.4Å; P66-W91 HydrophobicContact CG-CE3 4.44Å
67C71.3Confident62.4Low28 Ų28101 Ų10119%0.18958%0.575CS.*G310 helixtrans-81.3-12.4177.9-72.90000114D65 G69 R70 C78D65-C67 PolarHBondContact O-N 3.24Å; D65-C67 WeakPolarHBondContact OD1-CB 3Å; D65-C67 PolarHBondContact OD1-N 3.03Å; C67-G69 PolarHBondContact O-N 2.83Å; C67-R70 PolarHBondContact O-N 3Å; C67-R70 VanDerWaalsContact O-N 3.09Å; C67-C78 VanDerWaalsContact CA-SG 3.53Å; C67-C78 HydrophobicContact CB-CB 3.85Å; C67-C78 WeakPolarHBondContact CB-SG 3.49Å; C67-C78 WeakPolarHBondContact SG-CB 3.26Å; C67-C78 CovalentContact SG-SG 2.05Å; C67-C78 PolarHBondContact SG-SG 3.43Å
68E72.4Confident64Low152 Ų15296.2 Ų96.271%0.7155%0.545SS*.G310 helixtrans-59-31.5176.1-79.5-173.4124.400112.5D65 R70D65-E68 HydrophobicContact CB-CG 4.2Å; D65-E68 PolarHBondContact O-N 3.25Å; E68-R70 PolarHBondContact O-N 3Å
69G69.4Low65.8Low69 Ų6993.6 Ų93.671%0.71153%0.525SS*.G310 helixtrans-72.6-3.9178.200000115.5C67C67-G69 PolarHBondContact O-N 2.83Å
70R69.8Low67.4Low211 Ų21187 Ų8780%0.79650%0.502SS*.  trans48.758.4-172.1-58.9-176176.6-160.1-1.8113.4C67 E68 C72C67-R70 PolarHBondContact O-N 3Å; C67-R70 VanDerWaalsContact O-N 3.09Å; E68-R70 PolarHBondContact O-N 3Å; R70-C72 PolarHBondContact O-N 3Å
71P72.5Confident68.6Low26 Ų2685 Ų8517%0.16948%0.484CS..  trans-65.9-26-176.828.3-35.7000113.6Y93 N105P71-Y93 HydrophobicContact CB-CD2 4.26Å; P71-Y93 HydrophobicContact CB-CE2 3.56Å; P71-Y93 HydrophobicContact CG-CD2 3.82Å; P71-Y93 HydrophobicContact CG-CE2 3.65Å; P71-Y93 HydrophobicContact CG-CG 4.48Å; P71-N105 WeakPolarHBondContact O-CB 3.25Å
72C76.6Confident69.4Low16 Ų1687 Ų8711%0.10849%0.49CS..  trans-80.2120.7177.6-46.80000111.4R70 G76 C78 C95R70-C72 PolarHBondContact O-N 3Å; C72-G76 VanDerWaalsContact CB-O 3.28Å; C72-G76 WeakPolarHBondContact CB-O 3.36Å; C72-C78 WeakPolarHBondContact SG-CA 3.48Å; C72-C78 WeakPolarHBondContact SG-CB 3.25Å; C72-C95 WeakPolarHBondContact CA-SG 3.45Å; C72-C95 HydrophobicContact CB-CB 3.75Å; C72-C95 WeakPolarHBondContact CB-SG 3.04Å; C72-C95 VanDerWaalsContact SG-CA 3.53Å; C72-C95 WeakPolarHBondContact SG-CB 3.39Å; C72-C95 CovalentContact SG-SG 2.03Å; C72-C95 PolarHBondContact SG-SG 3.31Å
73L75.7Confident69.8Low91 Ų9185.6 Ų85.648%0.47648%0.481SS..  trans-87.2174.9179.3-58.1179.6000111.5G75 G76 N105 E107L73-G75 PolarHBondContact O-N 2.88Å; L73-G76 PolarHBondContact O-N 2.96Å; L73-N105 PolarHBondContact N-O 3.4Å; L73-E107 HydrophobicContact CD1-CB 4.07Å
74N68.9Low69.4Low82 Ų8281.4 Ų81.444%0.43948%0.48SS..THydrogen-bonded Turntrans53.624.2169.6-58.7-43.2000116.2S98 F101 C106N74-S98 PolarHBondContact O-OG 2.03Å; N74-F101 HydrophobicContact CB-CD1 3.58Å; N74-F101 HydrophobicContact CB-CD2 4.21Å; N74-F101 HydrophobicContact CB-CE1 3.6Å; N74-F101 HydrophobicContact CB-CE2 4.24Å; N74-F101 HydrophobicContact CB-CG 3.9Å; N74-F101 HydrophobicContact CB-CZ 3.94Å; N74-F101 WeakPolarHBondContact ND2-CD1 3.36Å; N74-F101 WeakPolarHBondContact ND2-CE1 3.29Å; N74-C106 PolarHBondContact ND2-O 3.21Å
75G69.1Low68.8Low72 Ų7285.7 Ų85.774%0.74250%0.497SS*.THydrogen-bonded Turntrans85.39.6-178.900000115L73L73-G75 PolarHBondContact O-N 2.88Å
76G78Confident67.7Low14 Ų1493.1 Ų93.114%0.14452%0.519CS..PPolyproline II helixtrans-62.4144.8173.200000112.9C72 L73 T96C72-G76 VanDerWaalsContact CB-O 3.28Å; C72-G76 WeakPolarHBondContact CB-O 3.36Å; L73-G76 PolarHBondContact O-N 2.96Å; G76-T96 CarbonylContact C-O 3.53Å; G76-T96 WeakPolarHBondContact CA-O 3.47Å
77L82.3Confident66.9Low111 Ų11199.8 Ų99.858%0.58155%0.551SS**EExtended strand (participates in β ladder)trans-93.8123.8-177.2-176.875.9000110.8C95 T96L77-C95 WeakPolarHBondContact O-CA 3.35Å; L77-T96 PolarHBondContact N-O 2.83Å; L77-T96 PolarHBondContact O-N 2.04Å; L77-T96 PolarHBondContact O-OG1 3.48Å
78C82.1Confident65.4Low30 Ų30107.4 Ų107.420%0.20358%0.584CS.*EExtended strand (participates in β ladder)trans-83.3133.2-180-169.30000112.1C67 C72C67-C78 VanDerWaalsContact CA-SG 3.53Å; C67-C78 HydrophobicContact CB-CB 3.85Å; C67-C78 WeakPolarHBondContact CB-SG 3.49Å; C67-C78 WeakPolarHBondContact SG-CB 3.26Å; C67-C78 CovalentContact SG-SG 2.05Å; C67-C78 PolarHBondContact SG-SG 3.43Å; C72-C78 WeakPolarHBondContact SG-CA 3.48Å; C72-C78 WeakPolarHBondContact SG-CB 3.25Å
79L81.1Confident64.1Low85 Ų85106.1 Ų106.145%0.44559%0.592SS.*EExtended strand (participates in β ladder)trans-129118172.3-64.7171.8000109.5Y93 T94L79-Y93 CarbonylContact O-C 3.57Å; L79-Y93 WeakPolarHBondContact O-CA 3.37Å; L79-T94 HydrophobicContact CB-CG2 3.93Å; L79-T94 PolarHBondContact N-O 3.38Å; L79-T94 PolarHBondContact O-N 3.2Å
80A71.7Confident62.8Low49 Ų49107.4 Ų107.441%0.40559%0.59SS.*EExtended strand (participates in β ladder)trans-79.2130.6173.900000110.5P66P66-A80 HydrophobicContact CG-CB 3.82Å
81L66.6Low62.1Low78 Ų78104 Ų10441%0.40858%0.577SS.*PPolyproline II helixtrans-96.4127177.9-58.4-179.9000109.9P83 E92 T94L81-P83 WeakPolarHBondContact O-CD 3.03Å; L81-E92 HydrophobicContact CB-CB 4.38Å; L81-E92 WeakPolarHBondContact CB-O 3.49Å; L81-E92 HydrophobicContact CD1-CG 4.12Å; L81-E92 PolarHBondContact N-O 3.21Å; L81-T94 HydrophobicContact CD1-CG2 4.49Å; L81-T94 HydrophobicContact CD2-CG2 4.33Å; L81-T94 HydrophobicContact CG-CG2 4.46Å
82L59.3Low61.5Low166 Ų166109.1 Ų109.187%0.86960%0.599SS**PPolyproline II helixtrans-83.6116.8175.9-77.6168.1000109.8
83P55.4Low61.4Low94 Ų94111 Ų11161%0.6161%0.605SS**PPolyproline II helixtrans-72.5142.8-175.228.2-34.8000112.1L81L81-P83 WeakPolarHBondContact O-CD 3.03Å
84P47Very low61.4Low120 Ų120109.4 Ų109.478%0.77960%0.598SS**PPolyproline II helixtrans-66.8157.5167.930.3-34.5000111R86P84-R86 PolarHBondContact O-N 2.92Å
85L47.4Very low61.9Low183 Ų183106.1 Ų106.196%0.95858%0.582SS**SBendtrans-64.975.9-168.3-71.5163.8000115.5
86R40.9Very low62.4Low243 Ų243106 Ų10692%0.91757%0.567SS**  trans-139.3166.7157.9-75.6-157.9170.3166.20.8112.4P84P84-R86 PolarHBondContact O-N 2.92Å
87L47.8Very low62.3Low175 Ų175107.7 Ų107.792%0.91658%0.576SS**  trans-98.591-162.7-17776.8000111.4
88E39.8Very low61.7Low188 Ų188104.4 Ų104.488%0.87956%0.562SS**  trans-151.3157.2164.8-128152.3-147.500110.5
89S45.8Very low60.8Low126 Ų126112.5 Ų112.588%0.88160%0.597SS**  trans-111.957.3-162.263.90000113.9
90S42.1Very low59.7Low96 Ų96109.8 Ų109.867%0.67159%0.589SS**  trans-122.4143.1167.3490000110.3
91W53.7Low59.4Low138 Ų138110 Ų11052%0.52358%0.581SS.*  trans-97.3117.7169.3-68.397000108R63 P66R63-W91 HydrophobicContact CB-CH2 3.65Å; R63-W91 HydrophobicContact CB-CZ2 3.83Å; R63-W91 HydrophobicContact CG-CH2 4.35Å; R63-W91 HydrophobicContact CG-CZ2 4.27Å; P66-W91 HydrophobicContact CB-CB 4.4Å; P66-W91 HydrophobicContact CG-CE3 4.44Å
92E61.3Low59.2Low135 Ų135109.6 Ų109.663%0.63158%0.582SS**  trans-94.3125178.5-156.5172.7-154.700109.5L81L81-E92 HydrophobicContact CB-CB 4.38Å; L81-E92 WeakPolarHBondContact CB-O 3.49Å; L81-E92 HydrophobicContact CD1-CG 4.12Å; L81-E92 PolarHBondContact N-O 3.21Å
93Y73.7Confident59.1Low56 Ų56103.3 Ų103.322%0.2256%0.558CS.*EExtended strand (participates in β ladder)trans-130.1160.5172.365.6-86.3000108.5P71 L79 N105P71-Y93 HydrophobicContact CB-CD2 4.26Å; P71-Y93 HydrophobicContact CB-CE2 3.56Å; P71-Y93 HydrophobicContact CG-CD2 3.82Å; P71-Y93 HydrophobicContact CG-CE2 3.65Å; P71-Y93 HydrophobicContact CG-CG 4.48Å; L79-Y93 CarbonylContact O-C 3.57Å; L79-Y93 WeakPolarHBondContact O-CA 3.37Å; Y93-N105 WeakPolarHBondContact CE2-OD1 3.27Å; Y93-N105 PolarHBondContact OH-ND2 3.44Å; Y93-N105 PolarHBondContact OH-OD1 2.85Å
94T75.8Confident60Low56 Ų56104.4 Ų104.434%0.34456%0.555SS.*EExtended strand (participates in β ladder)trans-135.9139.5176.4-171.90000110.2L79 L81L79-T94 HydrophobicContact CB-CG2 3.93Å; L79-T94 PolarHBondContact N-O 3.38Å; L79-T94 PolarHBondContact O-N 3.2Å; L81-T94 HydrophobicContact CD1-CG2 4.49Å; L81-T94 HydrophobicContact CD2-CG2 4.33Å; L81-T94 HydrophobicContact CG-CG2 4.46Å
95C78.7Confident61.4Low13 Ų13100.5 Ų100.59%0.08853%0.527CS..EExtended strand (participates in β ladder)trans-103.6132.8176-63.70000109.9C72 L77 H104C72-C95 WeakPolarHBondContact CA-SG 3.45Å; C72-C95 HydrophobicContact CB-CB 3.75Å; C72-C95 WeakPolarHBondContact CB-SG 3.04Å; C72-C95 VanDerWaalsContact SG-CA 3.53Å; C72-C95 WeakPolarHBondContact SG-CB 3.39Å; C72-C95 CovalentContact SG-SG 2.03Å; C72-C95 PolarHBondContact SG-SG 3.31Å; L77-C95 WeakPolarHBondContact O-CA 3.35Å; C95-H104 VanDerWaalsContact CB-O 3.32Å; C95-H104 WeakPolarHBondContact CB-O 3.47Å
96T79.6Confident62.6Low71 Ų7191.8 Ų91.844%0.43648%0.482SS..EExtended strand (participates in β ladder)trans-104.5119.2170.343.40000109.2G76 L77G76-T96 CarbonylContact C-O 3.53Å; G76-T96 WeakPolarHBondContact CA-O 3.47Å; L77-T96 PolarHBondContact N-O 2.83Å; L77-T96 PolarHBondContact O-N 2.04Å; L77-T96 PolarHBondContact O-OG1 3.48Å
97C75.6Confident63.8Low48 Ų4883.7 Ų83.732%0.32445%0.454SS..PPolyproline II helixtrans-90.1149.5-166.8-52.80000113.4F101 C106C97-F101 HydrophobicContact CB-CB 4.37Å; C97-F101 VanDerWaalsContact CB-O 3.28Å; C97-F101 WeakPolarHBondContact CB-O 3.04Å; C97-C106 WeakPolarHBondContact CA-SG 3.3Å; C97-C106 HydrophobicContact CB-CB 3.77Å; C97-C106 WeakPolarHBondContact CB-SG 3.39Å; C97-C106 WeakPolarHBondContact SG-CA 3.36Å; C97-C106 WeakPolarHBondContact SG-CB 3.24Å; C97-C106 CovalentContact SG-SG 2.04Å; C97-C106 PolarHBondContact SG-SG 3.26Å
98S71.1Confident64.2Low43 Ų4381 Ų8130%0.30144%0.436SS..PPolyproline II helixtrans-67.2155.2168.342.90000111N74 G100 F101N74-S98 PolarHBondContact O-OG 2.03Å; S98-G100 PolarHBondContact O-N 2.88Å; S98-F101 PolarHBondContact O-N 2.04Å; S98-F101 VanDerWaalsContact O-N 3.14Å; S98-F101 WeakPolarHBondContact OG-CD2 3.42Å
99Q63.3Low64.7Low199 Ų19978.3 Ų78.393%0.9342%0.421SS*.THydrogen-bonded Turntrans-55.2134.2175.6-74.8-173.1-9.900110.7
100G57.5Low65.3Low28 Ų2874.9 Ų74.929%0.28940%0.395SS..THydrogen-bonded Turntrans90.91.6-175.900000115.3S98 F109 T110S98-G100 PolarHBondContact O-N 2.88Å; G100-F109 WeakPolarHBondContact O-CA 3.48Å; G100-F109 WeakPolarHBondContact O-CD2 3.4Å; G100-T110 VanDerWaalsContact C-OG1 3.3Å; G100-T110 WeakPolarHBondContact CA-OG1 3.21Å; G100-T110 PolarHBondContact O-N 3.12Å; G100-T110 PolarHBondContact O-OG1 3.24Å
101F65.8Low66Low53 Ų5374.5 Ų74.523%0.23239%0.385CS..EExtended strand (participates in β ladder)trans-131.5145.2179.5-64-89000113.5N74 C97 S98 F108 F109N74-F101 HydrophobicContact CB-CD1 3.58Å; N74-F101 HydrophobicContact CB-CD2 4.21Å; N74-F101 HydrophobicContact CB-CE1 3.6Å; N74-F101 HydrophobicContact CB-CE2 4.24Å; N74-F101 HydrophobicContact CB-CG 3.9Å; N74-F101 HydrophobicContact CB-CZ 3.94Å; N74-F101 WeakPolarHBondContact ND2-CD1 3.36Å; N74-F101 WeakPolarHBondContact ND2-CE1 3.29Å; C97-F101 HydrophobicContact CB-CB 4.37Å; C97-F101 VanDerWaalsContact CB-O 3.28Å; C97-F101 WeakPolarHBondContact CB-O 3.04Å; S98-F101 PolarHBondContact O-N 2.04Å; S98-F101 VanDerWaalsContact O-N 3.14Å; S98-F101 WeakPolarHBondContact OG-CD2 3.42Å; F101-F108 CarbonylContact C-O 3.58Å; F101-F108 WeakPolarHBondContact CA-O 3.38Å; F101-F108 WeakPolarHBondContact CD1-O 3.42Å; F101-F109 HydrophobicContact CD1-CB 4.29Å; F101-F109 HydrophobicContact CD1-CD2 4.31Å; F101-F109 HydrophobicContact CE1-CB 4.08Å; F101-F109 AromaticContact CE1-CD2 3.75Å; F101-F109 HydrophobicContact CE1-CD2 3.75Å; F101-F109 HydrophobicContact CE1-CG 4.42Å; F101-F109 HydrophobicContact CE2-CD2 4.29Å; F101-F109 AromaticContact CZ-CD2 3.74Å; F101-F109 HydrophobicContact CZ-CD2 3.74Å; F101-F109 HydrophobicContact CZ-CE2 4.37Å
102T61.6Low66.3Low70 Ų7069.3 Ų69.343%0.42937%0.37SS..EExtended strand (participates in β ladder)trans-143.5177.4178.655.80000111.2C106 E107 F108 T110T102-C106 CarbonylContact O-C 3.41Å; T102-C106 WeakPolarHBondContact O-CA 3.36Å; T102-E107 PolarHBondContact O-N 3.24Å; T102-F108 PolarHBondContact N-O 3.26Å; T102-F108 PolarHBondContact O-N 2.99Å; T102-T110 HydrophobicContact CG2-CG2 3.58Å; T102-T110 WeakPolarHBondContact OG1-CG2 3.27Å
103G58.4Low66.4Low35 Ų3564 Ų6436%0.36135%0.347SS..SBendtrans110.8173.1-174.100000112.2N105 E107G103-N105 VanDerWaalsContact C-N 3.27Å; G103-N105 PolarHBondContact O-N 3.03Å; G103-E107 VanDerWaalsContact C-OE2 3.25Å; G103-E107 VanDerWaalsContact CA-OE2 3.28Å; G103-E107 WeakPolarHBondContact CA-OE2 3.01Å
104H72.6Confident65.8Low116 Ų11665.2 Ų65.254%0.53737%0.369SS..SBendtrans-71.9-28.9-178.4-174.765.7000111.7C95 E107C95-H104 VanDerWaalsContact CB-O 3.32Å; C95-H104 WeakPolarHBondContact CB-O 3.47Å; H104-E107 PolarHBondContact N-OE1 2.84Å; H104-E107 PolarHBondContact N-OE2 3.2Å; H104-E107 VanDerWaalsContact N-OE2 3.1Å
105N76.6Confident65Low39 Ų3967.2 Ų67.221%0.20939%0.385CS..SBendtrans-117.416.2-178.7-69.20.1000112P71 L73 Y93 G103 E107P71-N105 WeakPolarHBondContact O-CB 3.25Å; L73-N105 PolarHBondContact N-O 3.4Å; Y93-N105 WeakPolarHBondContact CE2-OD1 3.27Å; Y93-N105 PolarHBondContact OH-ND2 3.44Å; Y93-N105 PolarHBondContact OH-OD1 2.85Å; G103-N105 VanDerWaalsContact C-N 3.27Å; G103-N105 PolarHBondContact O-N 3.03Å; N105-E107 VanDerWaalsContact CA-OE2 3.25Å; N105-E107 WeakPolarHBondContact CA-OE2 3.04Å; N105-E107 PolarHBondContact N-OE2 2.9Å; N105-E107 PolarHBondContact O-N 2.98Å
106C73.3Confident64.1Low0 Ų071.1 Ų71.10%041%0.412CS..SBendtrans58.632.8-174.4-49.10000114.1N74 C97 T102N74-C106 PolarHBondContact ND2-O 3.21Å; C97-C106 WeakPolarHBondContact CA-SG 3.3Å; C97-C106 HydrophobicContact CB-CB 3.77Å; C97-C106 WeakPolarHBondContact CB-SG 3.39Å; C97-C106 WeakPolarHBondContact SG-CA 3.36Å; C97-C106 WeakPolarHBondContact SG-CB 3.24Å; C97-C106 CovalentContact SG-SG 2.04Å; C97-C106 PolarHBondContact SG-SG 3.26Å; T102-C106 CarbonylContact O-C 3.41Å; T102-C106 WeakPolarHBondContact O-CA 3.36Å
107E67.1Low63.5Low72 Ų7268.6 Ų68.634%0.33640%0.397SS..  trans-79.6-22.3-172.467.4-84.5-15500114.5L73 T102 G103 H104 N105L73-E107 HydrophobicContact CD1-CB 4.07Å; T102-E107 PolarHBondContact O-N 3.24Å; G103-E107 VanDerWaalsContact C-OE2 3.25Å; G103-E107 VanDerWaalsContact CA-OE2 3.28Å; G103-E107 WeakPolarHBondContact CA-OE2 3.01Å; H104-E107 PolarHBondContact N-OE1 2.84Å; H104-E107 PolarHBondContact N-OE2 3.2Å; H104-E107 VanDerWaalsContact N-OE2 3.1Å; N105-E107 VanDerWaalsContact CA-OE2 3.25Å; N105-E107 WeakPolarHBondContact CA-OE2 3.04Å; N105-E107 PolarHBondContact N-OE2 2.9Å; N105-E107 PolarHBondContact O-N 2.98Å
108F54.5Low63.6Low120 Ų12066.9 Ų66.953%0.52639%0.386SS..EExtended strand (participates in β ladder)trans-101.2139.9-177.6-52.4-64000111.8F101 T102F101-F108 CarbonylContact C-O 3.58Å; F101-F108 WeakPolarHBondContact CA-O 3.38Å; F101-F108 WeakPolarHBondContact CD1-O 3.42Å; T102-F108 PolarHBondContact N-O 3.26Å; T102-F108 PolarHBondContact O-N 2.99Å
109F51Low63.8Low130 Ų13070 Ų7057%0.5740%0.398SS*.EExtended strand (participates in β ladder)trans-95.5132172178-101.6000110G100 F101G100-F109 WeakPolarHBondContact O-CA 3.48Å; G100-F109 WeakPolarHBondContact O-CD2 3.4Å; F101-F109 HydrophobicContact CD1-CB 4.29Å; F101-F109 HydrophobicContact CD1-CD2 4.31Å; F101-F109 HydrophobicContact CE1-CB 4.08Å; F101-F109 AromaticContact CE1-CD2 3.75Å; F101-F109 HydrophobicContact CE1-CD2 3.75Å; F101-F109 HydrophobicContact CE1-CG 4.42Å; F101-F109 HydrophobicContact CE2-CD2 4.29Å; F101-F109 AromaticContact CZ-CD2 3.74Å; F101-F109 HydrophobicContact CZ-CD2 3.74Å; F101-F109 HydrophobicContact CZ-CE2 4.37Å
110T57.7Low64.5Low55 Ų5564 Ų6434%0.33737%0.37SS..  trans-92.3104.3-178.460.40000111.7G100 T102G100-T110 VanDerWaalsContact C-OG1 3.3Å; G100-T110 WeakPolarHBondContact CA-OG1 3.21Å; G100-T110 PolarHBondContact O-N 3.12Å; G100-T110 PolarHBondContact O-OG1 3.24Å; T102-T110 HydrophobicContact CG2-CG2 3.58Å; T102-T110 WeakPolarHBondContact OG1-CG2 3.27Å
111D58.2Low65.4Low87 Ų8763.8 Ų63.847%0.46537%0.367SS..  trans-80.1117.4155.6-179.6-12.8000108.4C113 A114D111-C113 PolarHBondContact O-N 3.38Å; D111-C113 WeakPolarHBondContact OD1-CB 3.48Å; D111-C113 PolarHBondContact OD1-N 2.67Å; D111-A114 HydrophobicContact CB-CB 4.14Å; D111-A114 WeakPolarHBondContact O-CB 3.24Å; D111-A114 PolarHBondContact O-N 2.96Å; D111-A114 VanDerWaalsContact O-N 3.15Å
112P59.3Low66Low30 Ų3066.6 Ų66.620%0.19539%0.385CS..THydrogen-bonded Turntrans-67.9-13.6-178.130-36000113.7R125 A135P112-R125 HydrophobicContact CG-CG 4.22Å; P112-A135 HydrophobicContact CB-CB 4.11Å; P112-A135 HydrophobicContact CG-CB 4.38Å; P112-A135 WeakPolarHBondContact CG-O 3.5Å
113C62.8Low66.8Low24 Ų2464.7 Ų64.716%0.16237%0.374CS..THydrogen-bonded Turntrans-91-8.4174.3-73.40000113.9D111 S115 S116 C123D111-C113 PolarHBondContact O-N 3.38Å; D111-C113 WeakPolarHBondContact OD1-CB 3.48Å; D111-C113 PolarHBondContact OD1-N 2.67Å; C113-S115 PolarHBondContact O-N 2.71Å; C113-S115 VanDerWaalsContact O-N 3.1Å; C113-S116 PolarHBondContact O-N 3.32Å; C113-C123 WeakPolarHBondContact CA-SG 2.97Å; C113-C123 HydrophobicContact CB-CB 3.71Å; C113-C123 WeakPolarHBondContact CB-SG 3.04Å; C113-C123 WeakPolarHBondContact SG-CB 3.49Å; C113-C123 CovalentContact SG-SG 2.04Å; C113-C123 PolarHBondContact SG-SG 3.03Å
114A61.1Low67.6Low81 Ų8165.5 Ų65.567%0.66937%0.374SS*.THydrogen-bonded Turntrans-65.9-14.3-175.100000115D111D111-A114 HydrophobicContact CB-CB 4.14Å; D111-A114 WeakPolarHBondContact O-CB 3.24Å; D111-A114 PolarHBondContact O-N 2.96Å; D111-A114 VanDerWaalsContact O-N 3.15Å
115S59.7Low67.5Low98 Ų9866.7 Ų66.769%0.68537%0.374SS*.THydrogen-bonded Turntrans-93.73.4173.854.80000114C113C113-S115 PolarHBondContact O-N 2.71Å; C113-S115 VanDerWaalsContact O-N 3.1Å
116S58.9Low66.8Low94 Ų9467 Ų6766%0.65738%0.379SS*.  trans48.359.8-174.3-60.60000113.5C113 C118C113-S116 PolarHBondContact O-N 3.32Å; S116-C118 PolarHBondContact O-N 3.16Å
117P68.7Low65.8Low18 Ų1875.5 Ų75.512%0.11742%0.419CS..  trans-69.4-14.6-173.529.7-36.8000114.4Y136 R148P117-Y136 HydrophobicContact CB-CD2 4.05Å; P117-Y136 HydrophobicContact CB-CE1 4.29Å; P117-Y136 HydrophobicContact CB-CE2 3.56Å; P117-Y136 HydrophobicContact CG-CD1 4.3Å; P117-Y136 HydrophobicContact CG-CD2 3.55Å; P117-Y136 HydrophobicContact CG-CE1 4.38Å; P117-Y136 HydrophobicContact CG-CE2 3.63Å; P117-Y136 HydrophobicContact CG-CG 3.91Å; P117-R148 WeakPolarHBondContact O-CB 3.45Å; P117-R148 WeakPolarHBondContact O-CD 3.41Å; P117-R148 WeakPolarHBondContact O-CG 3.47Å
118C77.8Confident65.4Low13 Ų1374.8 Ų74.89%0.08843%0.431CS..  trans-92.8120176.1-43.70000109.9S116 G121 C123 C138 R148S116-C118 PolarHBondContact O-N 3.16Å; C118-G121 WeakPolarHBondContact CB-O 3.25Å; C118-C123 VanDerWaalsContact SG-CB 3.59Å; C118-C138 VanDerWaalsContact CA-SG 3.51Å; C118-C138 HydrophobicContact CB-CB 3.73Å; C118-C138 WeakPolarHBondContact CB-SG 3.39Å; C118-C138 WeakPolarHBondContact SG-CA 3.37Å; C118-C138 WeakPolarHBondContact SG-CB 3.36Å; C118-C138 CovalentContact SG-SG 2.03Å; C118-C138 PolarHBondContact SG-SG 2.94Å; C118-R148 CarbonylContact C-O 3.53Å
119L74.8Confident64.8Low109 Ų10972 Ų7257%0.57144%0.437SS*.SBendtrans-79.8-45.7-177-75.979000112.3R148 D150L119-R148 HydrophobicContact CD1-CB 4.09Å; L119-R148 PolarHBondContact N-O 3.45Å; L119-D150 HydrophobicContact CD1-CB 4.44Å; L119-D150 HydrophobicContact CD2-CB 4.41Å
120H77.6Confident64.8Low73 Ų7374.9 Ų74.934%0.33845%0.452SS..SBendtrans-126.952.5179.9-48.698.9000110.9C140 T141 Y144 C149H120-C140 WeakPolarHBondContact O-CA 3.07Å; H120-T141 PolarHBondContact O-N 3.5Å; H120-T141 PolarHBondContact O-OG1 3.26Å; H120-T141 VanDerWaalsContact O-OG1 3.06Å; H120-Y144 HydrophobicContact CB-CD1 3.74Å; H120-Y144 HydrophobicContact CB-CD2 3.95Å; H120-Y144 HydrophobicContact CB-CE1 4.14Å; H120-Y144 HydrophobicContact CB-CE2 4.35Å; H120-Y144 HydrophobicContact CB-CG 3.64Å; H120-Y144 AromaticContact CD2-CE1 3.93Å; H120-Y144 AromaticContact CE1-CE1 3.67Å; H120-Y144 AromaticContact CG-CD1 3.6Å; H120-Y144 AromaticContact CG-CE1 3.57Å; H120-Y144 AromaticContact CG-CZ 3.98Å; H120-Y144 AromaticContact ND1-CD1 3.42Å; H120-Y144 WeakPolarHBondContact ND1-CD1 3.32Å; H120-Y144 AromaticContact ND1-CE1 3.4Å; H120-Y144 WeakPolarHBondContact ND1-CE1 3.36Å; H120-Y144 AromaticContact NE2-CE1 4Å; H120-C149 VanDerWaalsContact C-CB 3.47Å; H120-C149 HydrophobicContact CB-CB 4.13Å; H120-C149 WeakPolarHBondContact CB-O 3.39Å; H120-C149 PolarHBondContact ND1-O 2.83Å; H120-C149 VanDerWaalsContact O-CB 3.27Å; H120-C149 WeakPolarHBondContact O-CB 3.43Å
121G76.6Confident63.9Low22 Ų2282.3 Ų82.323%0.22748%0.483CS..EExtended strand (participates in β ladder)trans-169.4166.8-178.200000112.8C118 E139C118-G121 WeakPolarHBondContact CB-O 3.25Å; G121-E139 CarbonylContact C-O 3.5Å; G121-E139 WeakPolarHBondContact CA-O 3.35Å
122N77.2Confident63.6Low112 Ų11281.8 Ų81.860%0.59950%0.498SS*.EExtended strand (participates in β ladder)trans-87139.4176.9-167.527.9000110.6C138 E139N122-C138 WeakPolarHBondContact O-CA 3.41Å; N122-E139 PolarHBondContact N-O 2.93Å; N122-E139 PolarHBondContact O-N 2.85Å
123C79.4Confident63.2Low30 Ų3087.4 Ų87.420%0.20352%0.522CS..EExtended strand (participates in β ladder)trans-92.1131.4179.5-169.20000111.1C113 C118C113-C123 WeakPolarHBondContact CA-SG 2.97Å; C113-C123 HydrophobicContact CB-CB 3.71Å; C113-C123 WeakPolarHBondContact CB-SG 3.04Å; C113-C123 WeakPolarHBondContact SG-CB 3.49Å; C113-C123 CovalentContact SG-SG 2.04Å; C113-C123 PolarHBondContact SG-SG 3.03Å; C118-C123 VanDerWaalsContact SG-CB 3.59Å
124S75.7Confident62.8Low53 Ų5389 Ų8937%0.37153%0.532SS..EExtended strand (participates in β ladder)trans-126.9149.8175.557.80000109.9Y136 S137S124-Y136 CarbonylContact O-C 3.6Å; S124-Y136 WeakPolarHBondContact O-CA 3.42Å; S124-S137 PolarHBondContact N-O 2.7Å; S124-S137 PolarHBondContact O-N 2.82Å; S124-S137 PolarHBondContact O-OG 2.79Å; S124-S137 PolarHBondContact OG-O 3.22Å; S124-S137 PolarHBondContact OG-OG 3.03Å
125R69.3Low63Low140 Ų14088 Ų8853%0.52852%0.523SS..EExtended strand (participates in β ladder)trans-84127178179176.8174.6160.5-0.5109.9P112P112-R125 HydrophobicContact CG-CG 4.22Å
126S62Low63.5Low46 Ų4686.3 Ų86.332%0.32250%0.503SS..  trans-79.5123172.4-174.90000110.1A135S126-A135 PolarHBondContact N-O 3.45Å
127E53.4Low64.3Low178 Ų17884.3 Ų84.383%0.83249%0.488SS*.  trans-103.862173.4-68.2-154.9142.700111.6
128G57.3Low64.9Low58 Ų5884.8 Ų84.860%0.59849%0.492SS*.  trans170.1120.7169.600000112.8
129G42Very low65.1Low62 Ų6290.9 Ų90.964%0.63952%0.519SS*.  trans-164124173.600000111.1
130E50.5Low65.5Low189 Ų18988 Ų8888%0.88351%0.507SS*.SBendtrans-74.4177.2156-66.2-179.111300108.8G132E130-G132 PolarHBondContact O-N 2.87Å
131E39.5Very low65.6Low211 Ų21188.1 Ų88.199%0.98651%0.514SS*.THydrogen-bonded Turntrans-62.891.7-169.4-62.6-175138.300113.7
132G51.5Low65.5Low77 Ų7796.7 Ų96.779%0.79455%0.548SS*.THydrogen-bonded Turntrans165.3-28.9172.300000116.6E130E130-G132 PolarHBondContact O-N 2.87Å
133E50.8Low65.1Low147 Ų14793 Ų9369%0.68754%0.536SS*.  trans-83.8152-169.7-68.5-67.9134.300114.8
134P54.3Low64.9Low57 Ų5795.3 Ų95.337%0.3754%0.541SS..  trans-73.3142.4174.830.5-34.2000112.8Y136P134-Y136 HydrophobicContact CB-CD1 4.46Å; P134-Y136 HydrophobicContact CB-CE1 4.25Å; P134-Y136 PolarHBondContact O-N 2.88Å; P134-Y136 VanDerWaalsContact O-N 3.08Å
135A65.4Low65Low60 Ų6097.2 Ų97.250%0.49654%0.544SS..SBendtrans-757.2-178.200000115.2P112 S126P112-A135 HydrophobicContact CB-CB 4.11Å; P112-A135 HydrophobicContact CG-CB 4.38Å; P112-A135 WeakPolarHBondContact CG-O 3.5Å; S126-A135 PolarHBondContact N-O 3.45Å
136Y70.3Confident65.2Low64 Ų6492 Ų9225%0.25153%0.533SS..EExtended strand (participates in β ladder)trans-141.6155.4-179.465.8-87.2000110.4P117 S124 P134P117-Y136 HydrophobicContact CB-CD2 4.05Å; P117-Y136 HydrophobicContact CB-CE1 4.29Å; P117-Y136 HydrophobicContact CB-CE2 3.56Å; P117-Y136 HydrophobicContact CG-CD1 4.3Å; P117-Y136 HydrophobicContact CG-CD2 3.55Å; P117-Y136 HydrophobicContact CG-CE1 4.38Å; P117-Y136 HydrophobicContact CG-CE2 3.63Å; P117-Y136 HydrophobicContact CG-CG 3.91Å; S124-Y136 CarbonylContact O-C 3.6Å; S124-Y136 WeakPolarHBondContact O-CA 3.42Å; P134-Y136 HydrophobicContact CB-CD1 4.46Å; P134-Y136 HydrophobicContact CB-CE1 4.25Å; P134-Y136 PolarHBondContact O-N 2.88Å; P134-Y136 VanDerWaalsContact O-N 3.08Å
137S76.9Confident65.7Low51 Ų5197.5 Ų97.536%0.35755%0.554SS.*EExtended strand (participates in β ladder)trans-132.4132.717839.70000110.3S124S124-S137 PolarHBondContact N-O 2.7Å; S124-S137 PolarHBondContact O-N 2.82Å; S124-S137 PolarHBondContact O-OG 2.79Å; S124-S137 PolarHBondContact OG-O 3.22Å; S124-S137 PolarHBondContact OG-OG 3.03Å
138C80.6Confident67Low29 Ų2994.9 Ų94.920%0.19654%0.536CS..EExtended strand (participates in β ladder)trans-101127-178.4-65.30000111.9C118 N122 E147C118-C138 VanDerWaalsContact CA-SG 3.51Å; C118-C138 HydrophobicContact CB-CB 3.73Å; C118-C138 WeakPolarHBondContact CB-SG 3.39Å; C118-C138 WeakPolarHBondContact SG-CA 3.37Å; C118-C138 WeakPolarHBondContact SG-CB 3.36Å; C118-C138 CovalentContact SG-SG 2.03Å; C118-C138 PolarHBondContact SG-SG 2.94Å; N122-C138 WeakPolarHBondContact O-CA 3.41Å; C138-E147 WeakPolarHBondContact CB-O 3.01Å; C138-E147 PolarHBondContact SG-O 3.41Å
139E82.9Confident68.1Low141 Ų14192.1 Ų92.166%0.65951%0.508SS*.EExtended strand (participates in β ladder)trans-99.9102.4174.4-174.7174.9-145.100109.2G121 N122G121-E139 CarbonylContact C-O 3.5Å; G121-E139 WeakPolarHBondContact CA-O 3.35Å; N122-E139 PolarHBondContact N-O 2.93Å; N122-E139 PolarHBondContact O-N 2.85Å
140C82.6Confident69.9Low47 Ų4792.1 Ų92.132%0.31849%0.493SS..EExtended strand (participates in β ladder)trans-77.7144.6-168.8-54.30000114.2H120 Y144 C149H120-C140 WeakPolarHBondContact O-CA 3.07Å; C140-Y144 VanDerWaalsContact CB-O 3.3Å; C140-Y144 WeakPolarHBondContact CB-O 3.01Å; C140-C149 WeakPolarHBondContact CA-SG 3.02Å; C140-C149 HydrophobicContact CB-CB 3.69Å; C140-C149 WeakPolarHBondContact CB-SG 3.34Å; C140-C149 WeakPolarHBondContact SG-CA 3.32Å; C140-C149 WeakPolarHBondContact SG-CB 3.42Å; C140-C149 CovalentContact SG-SG 2.03Å; C140-C149 PolarHBondContact SG-SG 2.83Å
141T79.1Confident71.3Confident77 Ų7788.2 Ų88.247%0.47248%0.475SS..PPolyproline II helixtrans-73.1149.3172.354.50000111.6H120 G143 Y144H120-T141 PolarHBondContact O-N 3.5Å; H120-T141 PolarHBondContact O-OG1 3.26Å; H120-T141 VanDerWaalsContact O-OG1 3.06Å; T141-G143 PolarHBondContact O-N 3.21Å; T141-Y144 PolarHBondContact O-N 3.3Å
142E74.6Confident72.7Confident201 Ų20183.1 Ų83.194%0.93945%0.453SS*.THydrogen-bonded Turntrans-48.5130.1-179.1-67.7-170.2144.200112.6
143G68.6Low73.2Confident34 Ų3483.9 Ų83.935%0.35144%0.439SS..THydrogen-bonded Turntrans92.1-0.6-174.900000115.2T141 I152 L153T141-G143 PolarHBondContact O-N 3.21Å; G143-I152 WeakPolarHBondContact O-CA 3.46Å; G143-L153 PolarHBondContact O-N 2.8Å
144Y76.5Confident73.3Confident80 Ų8084.3 Ų84.331%0.31445%0.445SS..EExtended strand (participates in β ladder)trans-126.2147.2175.8-65.8-96.5000113.1H120 C140 T141 Q151 I152H120-Y144 HydrophobicContact CB-CD1 3.74Å; H120-Y144 HydrophobicContact CB-CD2 3.95Å; H120-Y144 HydrophobicContact CB-CE1 4.14Å; H120-Y144 HydrophobicContact CB-CE2 4.35Å; H120-Y144 HydrophobicContact CB-CG 3.64Å; H120-Y144 AromaticContact CD2-CE1 3.93Å; H120-Y144 AromaticContact CE1-CE1 3.67Å; H120-Y144 AromaticContact CG-CD1 3.6Å; H120-Y144 AromaticContact CG-CE1 3.57Å; H120-Y144 AromaticContact CG-CZ 3.98Å; H120-Y144 AromaticContact ND1-CD1 3.42Å; H120-Y144 WeakPolarHBondContact ND1-CD1 3.32Å; H120-Y144 AromaticContact ND1-CE1 3.4Å; H120-Y144 WeakPolarHBondContact ND1-CE1 3.36Å; H120-Y144 AromaticContact NE2-CE1 4Å; C140-Y144 VanDerWaalsContact CB-O 3.3Å; C140-Y144 WeakPolarHBondContact CB-O 3.01Å; T141-Y144 PolarHBondContact O-N 3.3Å; Y144-Q151 CarbonylContact C-O 3.53Å; Y144-Q151 WeakPolarHBondContact CA-O 3.01Å; Y144-Q151 WeakPolarHBondContact CD1-O 3.46Å; Y144-I152 HydrophobicContact CD1-CG1 3.87Å; Y144-I152 HydrophobicContact CE1-CD1 4.09Å; Y144-I152 HydrophobicContact CE1-CG1 3.54Å
145E77.3Confident73.7Confident93 Ų9388.6 Ų88.644%0.43547%0.465SS..EExtended strand (participates in β ladder)trans-143-178.117774.5177151.200113.1C149 D150 Q151 L153E145-C149 CarbonylContact O-C 3.54Å; E145-C149 VanDerWaalsContact O-CA 3.31Å; E145-C149 WeakPolarHBondContact O-CA 3.45Å; E145-D150 PolarHBondContact O-N 2.88Å; E145-Q151 HydrophobicContact CG-CB 3.92Å; E145-Q151 PolarHBondContact N-O 3.34Å; E145-Q151 WeakPolarHBondContact O-CB 3.21Å; E145-Q151 PolarHBondContact O-N 3.33Å; E145-L153 HydrophobicContact CB-CD1 4.08Å; E145-L153 VanDerWaalsContact CD-CD1 3.41Å; E145-L153 HydrophobicContact CG-CD1 3.95Å; E145-L153 WeakPolarHBondContact OE1-CD1 3.48Å
146G73.1Confident72.3Confident29 Ų2993.8 Ų93.830%0.29948%0.483SS..SBendtrans90.9161.4-175.800000113.4R148 C149G146-R148 PolarHBondContact O-N 3.23Å; G146-C149 PolarHBondContact O-N 3.26Å
147E73.2Confident70.8Confident163 Ų16396 Ų9676%0.76251%0.505SS*.THydrogen-bonded Turntrans-59.6-17.6-172.1-61.7-175.6137.700114.9C138C138-E147 WeakPolarHBondContact CB-O 3.01Å; C138-E147 PolarHBondContact SG-O 3.41Å
148R79.8Confident69.1Low122 Ų12299.9 Ų99.946%0.4653%0.53SS..THydrogen-bonded Turntrans-121.49.9175-62.2-174.8-54.8-144-2.6113.4P117 C118 L119 G146 D150P117-R148 WeakPolarHBondContact O-CB 3.45Å; P117-R148 WeakPolarHBondContact O-CD 3.41Å; P117-R148 WeakPolarHBondContact O-CG 3.47Å; C118-R148 CarbonylContact C-O 3.53Å; L119-R148 HydrophobicContact CD1-CB 4.09Å; L119-R148 PolarHBondContact N-O 3.45Å; G146-R148 PolarHBondContact O-N 3.23Å; R148-D150 VanDerWaalsContact C-N 3.28Å; R148-D150 IonicContact CZ-OD2 3.05Å; R148-D150 IonicContact NE-OD2 3.63Å; R148-D150 PolarHBondContact NE-OD2 3.21Å; R148-D150 VanDerWaalsContact NE-OD2 3.11Å; R148-D150 IonicContact NH2-OD2 2.8Å; R148-D150 PolarHBondContact NH2-OD2 3.49Å; R148-D150 PolarHBondContact O-N 3.32Å
149C80.7Confident66.8Low0 Ų0103.1 Ų103.10%056%0.558CS.*SBendtrans55.941.5-174.9-43.90000112.6H120 C140 E145 G146H120-C149 VanDerWaalsContact C-CB 3.47Å; H120-C149 HydrophobicContact CB-CB 4.13Å; H120-C149 WeakPolarHBondContact CB-O 3.39Å; H120-C149 PolarHBondContact ND1-O 2.83Å; H120-C149 VanDerWaalsContact O-CB 3.27Å; H120-C149 WeakPolarHBondContact O-CB 3.43Å; C140-C149 WeakPolarHBondContact CA-SG 3.02Å; C140-C149 HydrophobicContact CB-CB 3.69Å; C140-C149 WeakPolarHBondContact CB-SG 3.34Å; C140-C149 WeakPolarHBondContact SG-CA 3.32Å; C140-C149 WeakPolarHBondContact SG-CB 3.42Å; C140-C149 CovalentContact SG-SG 2.03Å; C140-C149 PolarHBondContact SG-SG 2.83Å; E145-C149 CarbonylContact O-C 3.54Å; E145-C149 VanDerWaalsContact O-CA 3.31Å; E145-C149 WeakPolarHBondContact O-CA 3.45Å; G146-C149 PolarHBondContact O-N 3.26Å
150D80.6Confident64.5Low62 Ų62101 Ų10133%0.33257%0.565SS.*  trans-101.5-0.3-178.650.92.5000113.8L119 E145 R148L119-D150 HydrophobicContact CD1-CB 4.44Å; L119-D150 HydrophobicContact CD2-CB 4.41Å; E145-D150 PolarHBondContact O-N 2.88Å; R148-D150 VanDerWaalsContact C-N 3.28Å; R148-D150 IonicContact CZ-OD2 3.05Å; R148-D150 IonicContact NE-OD2 3.63Å; R148-D150 PolarHBondContact NE-OD2 3.21Å; R148-D150 VanDerWaalsContact NE-OD2 3.11Å; R148-D150 IonicContact NH2-OD2 2.8Å; R148-D150 PolarHBondContact NH2-OD2 3.49Å; R148-D150 PolarHBondContact O-N 3.32Å
151Q78.8Confident62.6Low107 Ų107105.2 Ų105.250%0.558%0.584SS.*EExtended strand (participates in β ladder)trans-109149.2178.1-50.8-179.721.200110.3Y144 E145Y144-Q151 CarbonylContact C-O 3.53Å; Y144-Q151 WeakPolarHBondContact CA-O 3.01Å; Y144-Q151 WeakPolarHBondContact CD1-O 3.46Å; E145-Q151 HydrophobicContact CG-CB 3.92Å; E145-Q151 PolarHBondContact N-O 3.34Å; E145-Q151 WeakPolarHBondContact O-CB 3.21Å; E145-Q151 PolarHBondContact O-N 3.33Å
152I68.6Low60.3Low104 Ų104113.5 Ų113.553%0.53361%0.607SS.*EExtended strand (participates in β ladder)trans-110127.9-176.9-63.7173.2000110.2G143 Y144 L154G143-I152 WeakPolarHBondContact O-CA 3.46Å; Y144-I152 HydrophobicContact CD1-CG1 3.87Å; Y144-I152 HydrophobicContact CE1-CD1 4.09Å; Y144-I152 HydrophobicContact CE1-CG1 3.54Å; I152-L154 HydrophobicContact CG2-CG 4.28Å; I152-L154 PolarHBondContact O-N 3.35Å
153L62.9Low58.1Low94 Ų94106.9 Ų106.949%0.49259%0.593SS.*  trans-77.290.5-176.5-148.391.2000111.5G143 E145 D155G143-L153 PolarHBondContact O-N 2.8Å; E145-L153 HydrophobicContact CB-CD1 4.08Å; E145-L153 VanDerWaalsContact CD-CD1 3.41Å; E145-L153 HydrophobicContact CG-CD1 3.95Å; E145-L153 WeakPolarHBondContact OE1-CD1 3.48Å; L153-D155 PolarHBondContact O-N 3.41Å
154L52.8Low57.2Low156 Ų156111.5 Ų111.582%0.81762%0.617SS**  trans-92.751.6-174.5-90.2164.6000114.1I152I152-L154 HydrophobicContact CG2-CG 4.28Å; I152-L154 PolarHBondContact O-N 3.35Å
155D62.4Low54.7Low146 Ų146112.4 Ų112.478%0.78164%0.641SS**  trans-153.3103.8173.4-120.3-31000114.4L153L153-D155 PolarHBondContact O-N 3.41Å
156L35.8Very low52.5Low169 Ų169114.8 Ų114.889%0.88566%0.662SS**  trans-147.3151.9159.6-85-178.1000110.3
157P38.9Very low50.5Low110 Ų110118.7 Ų118.771%0.71468%0.682SS**  trans-92.7163.2-152.3-727.1000115.6
158P40.8Very low48.4Very low133 Ų133116.7 Ų116.786%0.86469%0.686SS**  trans-77.2140.2-179.531.5-35.4000113.4
159A32.8Very low45.9Very low97 Ų97115.6 Ų115.680%0.80270%0.703SS**  trans-136.1121173.300000112.5
160A35.4Very low43.7Very low96 Ų96122 Ų12279%0.79375%0.745SS**  trans27.4100.2158.300000120.4
161D42.4Very low41.2Very low136 Ų136127.5 Ų127.573%0.72777%0.768SS**  23130.7116.6-170.320.5000119.5
162W30.4Very low38.7Very low251 Ų251130.2 Ų130.295%0.95179%0.785SS**  trans-178.8106.6130.1-103.9100.1000112.7
163G29Very low36.8Very low62 Ų62128.9 Ų128.964%0.63979%0.79SS**  trans101.1161.2145.800000120
164P48.3Very low35.4Very low132 Ų132130.4 Ų130.486%0.85780%0.803SS**  trans-133.8155.7-151.840.1-22.7000117.5
165A24.1Very low34.4Very low99 Ų99129.2 Ų129.282%0.81881%0.805SS**  trans-171.9126.1141.300000112.4
166T32Very low32.8Very low142 Ų142128.2 Ų128.287%0.87180%0.804SS**  trans-110.3132.8167.650.80000111.4
167P30.3Very low32.4Very low112 Ų112126.5 Ų126.573%0.72780%0.801SS**  trans-130.2113.2152.731.8-16.2000113.3
168S29.6Very low32Very low120 Ų120126.2 Ų126.284%0.83980%0.801SS**  trans30.5123.5142.159.30000121.6
169A28Very low31.2Very low99 Ų99126.6 Ų126.682%0.81880%0.802SS**  trans-131.9159151.300000109.6
170P32.8Very low31.1Very low135 Ų135128.5 Ų128.588%0.87780%0.803SS**  trans-99.5172.9-150.738-37.7000117.9
171E28.3Very low30.6Very low177 Ų177130.5 Ų130.583%0.82781%0.806SS**  trans-82.9152.5-178.3-178.5-161.6141.700114.1
172L28.2Very low29.9Very low164 Ų164129.2 Ų129.286%0.85981%0.814SS**  trans-154.2117.1136.8-163.657.8000115.4
173A28.6Very low29.8Very low77 Ų77123.9 Ų123.964%0.63681%0.809SS**  trans51.7121.614800000122.9
174T31.8Very low29.8Very low125 Ų125127 Ų12777%0.76782%0.816SS**  trans-110.2160150.848.70000110.6
175P33Very low29.2Very low131 Ų131126.3 Ų126.385%0.85181%0.812SS**  trans-77.816317631.9-35.2000113.3
176V28.2Very low29.9Very low125 Ų125127.5 Ų127.576%0.75881%0.811SS**  trans-127139.1-164.41740000112.6
177T27.7Very low29.7Very low134 Ų134129.2 Ų129.282%0.82281%0.809SS**  trans169154.8139280000110.4
178S29.6Very low29.5Very low104 Ų104132.3 Ų132.373%0.72781%0.814SS**  cis-171.8135.3-36.548.20000108.5
179T25.4Very low30Very low141 Ų141131.2 Ų131.287%0.86580%0.804SS**  trans-127141.7-177.647.20000113.3
180T29.2Very low30Very low136 Ų136132.3 Ų132.383%0.83480%0.801SS**  trans-132.5101.7176.331.70000113
181T26.2Very low29.7Very low139 Ų139132.2 Ų132.285%0.85380%0.798SS**  trans13.1131.1146560000121.4
182A28Very low29.9Very low109 Ų109130.1 Ų130.190%0.90180%0.797SS**  trans-150154.4147.400000111.9
183T27.6Very low30.2Very low139 Ų139128.2 Ų128.285%0.85379%0.794SS**  trans-109.7157-159.2-23.80000114.9
184T28.5Very low30.2Very low127 Ų127129.4 Ų129.478%0.77980%0.804SS**  trans-70.6164.7159.5390000111.7
185P36.9Very low30.1Very low118 Ų118130 Ų13077%0.76681%0.808SS**  cis-146.7-13945.137.7-11.3000114.5
186P38.3Very low29.9Very low124 Ų124130.3 Ų130.381%0.80581%0.807SS**  -115.6-168.8-71.632.4-13000115.2
187Q27.3Very low30.2Very low178 Ų178131.1 Ų131.183%0.83281%0.813SS**  trans-83.2167.3176.8-64.3-176.1-22.800114.5
188Q26.2Very low30.6Very low176 Ų176130.3 Ų130.382%0.82281%0.81SS**  147.8163.988.8-179.5167.726.700109.2
189P41.4Very low30.7Very low98 Ų98129.3 Ų129.364%0.63681%0.808SS**  cis-129.2-158.5-22.536.2-14.1000115.2
190T26.4Very low31.4Very low122 Ų122128.5 Ų128.575%0.74881%0.805SS**  trans75.8150.515338.70000120.3
191T28Very low32Very low133 Ų133126 Ų12682%0.81679%0.791SS**  cis-148.5177.79.7-15.90000113.3
192V31.8Very low32.9Very low133 Ų133125.8 Ų125.881%0.80679%0.79SS**  trans-116.1147.2-179.7175.10000112.5
193P33.9Very low34.2Very low123 Ų123124.7 Ų124.780%0.79977%0.769SS**  trans-114.3166.4158.437.3-27.2000113.9
194A28.8Very low35.8Very low103 Ų103125.1 Ų125.185%0.85176%0.761SS**  trans-109.4172.6-160.500000116.6
195T29.7Very low37.5Very low138 Ų138124.7 Ų124.785%0.84776%0.76SS**  trans-76.4147.4-179.534.10000114.8
196T29.9Very low39.1Very low136 Ų136120.7 Ų120.783%0.83473%0.73SS**  trans-140.4146.215746.90000109.9
197T33.7Very low40.5Very low142 Ų142122.7 Ų122.787%0.87173%0.729SS**PPolyproline II helixtrans-103.4122.7-175.2-29.80000111
198P36.5Very low42.5Very low118 Ų118117.8 Ų117.877%0.76671%0.712SS**PPolyproline II helixtrans-83.5163.3173.9-10.127.8000113.5
199A30.3Very low44.7Very low83 Ų83114 Ų11469%0.68669%0.693SS**PPolyproline II helixtrans-64.7160.9168.400000112.3
200P40Very low45.7Very low123 Ų123115.9 Ų115.980%0.79971%0.705SS**PPolyproline II helixtrans-57.8131.5-178.722.3-34.6000112.3
201P42.3Very low47.4Very low83 Ų83114.2 Ų114.254%0.53971%0.712SS.*PPolyproline II helixtrans-75.4136.3-174.429.5-34.8000112.3W287P201-W287 HydrophobicContact CG-CH2 3.94Å; P201-W287 HydrophobicContact CG-CZ2 4.34Å; P201-W287 HydrophobicContact CG-CZ3 4.14Å
202T45.8Very low49.4Very low135 Ų135109.3 Ų109.383%0.82868%0.68SS**PPolyproline II helixtrans-67.6141.4162.425.60000110.6Q204T202-Q204 PolarHBondContact O-N 2.03Å
203L54.5Low51.3Low87 Ų87109.7 Ų109.746%0.45567%0.666SS.*PPolyproline II helixtrans-55.1129.2177.4-74.9155000111.1P265 Q290L203-P265 HydrophobicContact CD2-CB 3.69Å; L203-P265 HydrophobicContact CD2-CG 3.52Å; L203-P265 HydrophobicContact CG-CG 4.43Å; L203-Q290 HydrophobicContact CD2-CB 4.23Å
204Q61Low53.4Low147 Ų147106.9 Ų106.969%0.68764%0.644SS**PPolyproline II helixtrans-83.8124.7168.5-68.3-160-1100110.1T202 Q290T202-Q204 PolarHBondContact O-N 2.03Å; Q204-Q290 PolarHBondContact O-N 2.95Å
205P64.9Low55.9Low118 Ų118104.6 Ų104.677%0.76662%0.618SS**BIsolated β-bridgetrans-73.2135.8175.330.6-33.7000110.1
206W70.3Confident58.2Low34 Ų34101.7 Ų101.713%0.12960%0.599CS.*  trans-110.2143176.9173.893.9000111.9P208 L214 A254 L289 Q290 A291 V296W206-P208 HydrophobicContact CH2-CB 3.68Å; W206-P208 HydrophobicContact CH2-CG 4.28Å; W206-P208 HydrophobicContact CZ2-CB 4.02Å; W206-P208 HydrophobicContact CZ3-CB 4.3Å; W206-P208 HydrophobicContact CZ3-CG 4.44Å; W206-L214 HydrophobicContact CH2-CD1 3.7Å; W206-L214 HydrophobicContact CH2-CD2 4.05Å; W206-L214 HydrophobicContact CZ2-CD1 4.32Å; W206-A254 HydrophobicContact CZ2-CB 4.46Å; W206-L289 HydrophobicContact CB-CB 3.68Å; W206-L289 HydrophobicContact CB-CD1 4.16Å; W206-L289 HydrophobicContact CG-CB 4.21Å; W206-L289 HydrophobicContact CG-CD1 4.08Å; W206-Q290 PolarHBondContact N-O 2.84Å; W206-A291 HydrophobicContact CE3-CB 4.31Å; W206-V296 HydrophobicContact CD2-CB 4.38Å; W206-V296 HydrophobicContact CD2-CG1 4.09Å; W206-V296 HydrophobicContact CD2-CG2 4.23Å; W206-V296 HydrophobicContact CE3-CB 4.4Å; W206-V296 HydrophobicContact CE3-CG1 4.33Å; W206-V296 HydrophobicContact CE3-CG2 3.75Å; W206-V296 HydrophobicContact CH2-CG1 4.25Å; W206-V296 HydrophobicContact CH2-CG2 4.46Å; W206-V296 HydrophobicContact CZ2-CG1 4.03Å; W206-V296 HydrophobicContact CZ3-CG1 4.4Å; W206-V296 HydrophobicContact CZ3-CG2 3.88Å
207Q68.1Low60.6Low167 Ų16796.1 Ų96.178%0.7857%0.565SS**  trans-130141.5170.1-63.9-178.2-3.300107.8
208P69.5Low62.6Low74 Ų7496.8 Ų96.848%0.48156%0.558SS.*PPolyproline II helixtrans-64.3136.3175.726.9-33.2000110.2W206W206-P208 HydrophobicContact CH2-CB 3.68Å; W206-P208 HydrophobicContact CH2-CG 4.28Å; W206-P208 HydrophobicContact CZ2-CB 4.02Å; W206-P208 HydrophobicContact CZ3-CB 4.3Å; W206-P208 HydrophobicContact CZ3-CG 4.44Å
209K72.7Confident64.5Low97 Ų9793.6 Ų93.642%0.42253%0.531SS..PPolyproline II helixtrans-69.5149.3172-51.2166.7-158.4130.20109.1G211 Q212 D299K209-G211 PolarHBondContact O-N 2.74Å; K209-Q212 HydrophobicContact CB-CB 4.06Å; K209-Q212 VanDerWaalsContact O-CB 3.29Å; K209-Q212 WeakPolarHBondContact O-CB 3.32Å; K209-Q212 PolarHBondContact O-N 3.35Å; K209-D299 IonicContact NZ-OD1 3.26Å; K209-D299 PolarHBondContact NZ-OD1 3.04Å; K209-D299 IonicContact NZ-OD2 2.94Å; K209-D299 PolarHBondContact NZ-OD2 3.45Å
210P62.5Low66.6Low138 Ų13892.5 Ų92.590%0.89651%0.514SS*.THydrogen-bonded Turntrans-53.8128.8170.9-24.934.6000111.2Q212P210-Q212 VanDerWaalsContact C-N 3.28Å; P210-Q212 PolarHBondContact O-N 3.27Å
211G60.3Low67.8Low86 Ų8689.8 Ų89.889%0.88750%0.502SS*.THydrogen-bonded Turntrans77.9-3-17800000116.1K209 R213K209-G211 PolarHBondContact O-N 2.74Å; G211-R213 PolarHBondContact O-N 3.35Å
212Q71.8Confident68.9Low31 Ų3193.4 Ų93.415%0.14552%0.517CS..  trans-68.9127.9178.3176.8159.115.700111.7K209 P210 D299K209-Q212 HydrophobicContact CB-CB 4.06Å; K209-Q212 VanDerWaalsContact O-CB 3.29Å; K209-Q212 WeakPolarHBondContact O-CB 3.32Å; K209-Q212 PolarHBondContact O-N 3.35Å; P210-Q212 VanDerWaalsContact C-N 3.28Å; P210-Q212 PolarHBondContact O-N 3.27Å; Q212-D299 PolarHBondContact NE2-OD1 2.91Å
213R71.6Confident70Confident140 Ų14093.5 Ų93.553%0.52850%0.502SS..  trans-64.4133.8171.5-67.1174.6176.5165.3-3.4110.1G211 E251 T253 A254G211-R213 PolarHBondContact O-N 3.35Å; R213-E251 PolarHBondContact NH1-O 3.24Å; R213-T253 HydrophobicContact CB-CG2 3.94Å; R213-T253 VanDerWaalsContact CB-OG1 3.31Å; R213-T253 WeakPolarHBondContact CB-OG1 3Å; R213-T253 WeakPolarHBondContact CD-OG1 3.45Å; R213-T253 WeakPolarHBondContact O-CA 3.45Å; R213-A254 PolarHBondContact O-N 3.46Å
214L77.3Confident70.8Confident64 Ų6491.5 Ų91.534%0.33549%0.493SS..EExtended strand (participates in β ladder)trans-137.2111-177.7-175.564.8000110.7W206 V216 A254 K256W206-L214 HydrophobicContact CH2-CD1 3.7Å; W206-L214 HydrophobicContact CH2-CD2 4.05Å; W206-L214 HydrophobicContact CZ2-CD1 4.32Å; L214-V216 HydrophobicContact CD2-CG2 4.07Å; L214-V216 HydrophobicContact CG-CG2 3.99Å; L214-A254 WeakPolarHBondContact CA-O 3.05Å; L214-A254 HydrophobicContact CD1-CB 4.04Å; L214-K256 HydrophobicContact CD1-CB 4.05Å
215L80.2Confident71.2Confident56 Ų5688.9 Ų88.929%0.29349%0.487SS..EExtended strand (participates in β ladder)trans-84.5120.1169.5-176.963.9000108.7V217 L247 V249 T253 A254 V255 K256L215-V217 HydrophobicContact CG-CG2 4.32Å; L215-L247 HydrophobicContact CD2-CD1 4.38Å; L215-V249 HydrophobicContact CD2-CG2 4.17Å; L215-T253 HydrophobicContact CB-CG2 3.93Å; L215-A254 PolarHBondContact N-O 3.48Å; L215-V255 HydrophobicContact CB-CG2 4.4Å; L215-V255 HydrophobicContact CD2-CG2 4.43Å; L215-V255 CarbonylContact O-C 3.6Å; L215-V255 WeakPolarHBondContact O-CA 3.35Å; L215-K256 PolarHBondContact O-N 3.12Å
216V78.8Confident71.2Confident76 Ų7692.3 Ų92.346%0.46149%0.493SS..EExtended strand (participates in β ladder)trans-105.6125.7179.9-176.10000109.4L214 L258L214-V216 HydrophobicContact CD2-CG2 4.07Å; L214-V216 HydrophobicContact CG-CG2 3.99Å; V216-L258 HydrophobicContact CG1-CD1 3.59Å; V216-L258 HydrophobicContact CG1-CD2 4.11Å; V216-L258 HydrophobicContact CG1-CG 3.75Å
217V80.2Confident70.8Confident19 Ų1991.1 Ų91.112%0.11549%0.491CS..EExtended strand (participates in β ladder)trans-120.2128.7-175.5-168.80000108.6L215 L245 L247 V255 K256 L258L215-V217 HydrophobicContact CG-CG2 4.32Å; V217-L245 HydrophobicContact CG1-CD1 4.11Å; V217-L247 HydrophobicContact CG1-CD1 4.34Å; V217-L247 HydrophobicContact CG2-CD1 3.62Å; V217-V255 HydrophobicContact CG2-CG1 3.98Å; V217-K256 PolarHBondContact N-O 3.25Å; V217-L258 PolarHBondContact O-N 3.06Å
218Q76.9Confident70.6Confident156 Ų15687 Ų8773%0.72947%0.474SS*.EExtended strand (participates in β ladder)trans-79.3141.7175.9-70.3175.6-9.100110.5L258Q218-L258 HydrophobicContact CG-CD1 4.01Å
219W75.9Confident70.2Confident51 Ų5184.1 Ų84.119%0.19346%0.455CS..  trans-73.9129.3166-179.7-81.6000109.4L243 V257 L258 V259 I314 V316 V324 L326W219-L243 HydrophobicContact CD2-CD2 3.88Å; W219-L243 HydrophobicContact CE3-CD2 3.7Å; W219-L243 HydrophobicContact CH2-CB 4.5Å; W219-L243 HydrophobicContact CH2-CD2 4.02Å; W219-L243 HydrophobicContact CZ2-CD2 4.18Å; W219-L243 HydrophobicContact CZ3-CD2 3.77Å; W219-V257 HydrophobicContact CE3-CG1 4.46Å; W219-L258 WeakPolarHBondContact CB-O 3.22Å; W219-L258 PolarHBondContact N-O 3.01Å; W219-V259 HydrophobicContact CB-CB 4.2Å; W219-V259 HydrophobicContact CB-CG2 4.47Å; W219-V259 HydrophobicContact CD2-CB 4.23Å; W219-V259 HydrophobicContact CD2-CG2 3.78Å; W219-V259 HydrophobicContact CE3-CB 3.91Å; W219-V259 HydrophobicContact CE3-CG1 4.47Å; W219-V259 HydrophobicContact CE3-CG2 3.67Å; W219-V259 HydrophobicContact CG-CB 4.38Å; W219-V259 HydrophobicContact CG-CG2 4.15Å; W219-V259 HydrophobicContact CZ3-CG2 4.18Å; W219-I314 HydrophobicContact CH2-CD1 4.18Å; W219-I314 HydrophobicContact CZ3-CD1 3.87Å; W219-V316 HydrophobicContact CZ2-CG2 4.07Å; W219-V324 HydrophobicContact CH2-CB 4.21Å; W219-V324 HydrophobicContact CH2-CG1 3.83Å; W219-V324 HydrophobicContact CZ2-CB 4.25Å; W219-V324 HydrophobicContact CZ2-CG1 3.93Å; W219-L326 HydrophobicContact CZ3-CB 4.47Å; W219-L326 HydrophobicContact CZ3-CD1 4.31Å; W219-L326 HydrophobicContact CZ3-CD2 4.44Å
220D73.7Confident69.7Low60 Ų6080 Ų8032%0.32144%0.438SS..  trans-121.2117.2-177-176.9-10.6000108.5D222 R223D220-D222 PolarHBondContact OD1-N 3.46Å; D220-R223 HydrophobicContact CB-CB 4.44Å; D220-R223 HydrophobicContact CB-CG 4.34Å; D220-R223 WeakPolarHBondContact OD2-CD 3.46Å; D220-R223 VanDerWaalsContact OD2-CG 3.28Å; D220-R223 WeakPolarHBondContact OD2-CG 3.4Å
221A64.8Low69.6Low67 Ų6776.8 Ų76.855%0.55442%0.416SS*.SBendtrans-78.4-28.4-176.300000112.6R223 V224A221-R223 PolarHBondContact O-N 3.38Å; A221-V224 WeakPolarHBondContact O-CG2 3.27Å; A221-V224 PolarHBondContact O-N 3.07Å
222D66.6Low69.4Low159 Ų15974.2 Ų74.285%0.8538%0.384SS*.THydrogen-bonded Turntrans-74.6-10.1-177.4-65.5-20.5000111.8D220D220-D222 PolarHBondContact OD1-N 3.46Å
223R67.6Low68.6Low137 Ų13777.4 Ų77.452%0.51741%0.407SS..THydrogen-bonded Turntrans-97.99.1177.4-66.6-178.564.3176-1.4114.3D220 A221 L243D220-R223 HydrophobicContact CB-CB 4.44Å; D220-R223 HydrophobicContact CB-CG 4.34Å; D220-R223 WeakPolarHBondContact OD2-CD 3.46Å; D220-R223 VanDerWaalsContact OD2-CG 3.28Å; D220-R223 WeakPolarHBondContact OD2-CG 3.4Å; A221-R223 PolarHBondContact O-N 3.38Å; R223-L243 HydrophobicContact CB-CD1 3.61Å; R223-L243 WeakPolarHBondContact O-CD1 3.5Å
224V73Confident67.8Low45 Ų4579.4 Ų79.427%0.27342%0.422SS..EExtended strand (participates in β ladder)trans-85.4115.4174.8-179.60000109.5A221 L243 V324A221-V224 WeakPolarHBondContact O-CG2 3.27Å; A221-V224 PolarHBondContact O-N 3.07Å; V224-L243 HydrophobicContact CG2-CB 4.31Å; V224-V324 HydrophobicContact CG1-CG1 4.12Å; V224-V324 HydrophobicContact CG1-CG2 4.44Å; V224-V324 HydrophobicContact CG2-CG1 4.3Å
225T69.7Low67Low91 Ų9181.6 Ų81.656%0.55843%0.434SS*.EExtended strand (participates in β ladder)trans-94.9167.7174.765.70000111.1G241 T242T225-G241 CarbonylContact O-C 3.35Å; T225-G241 WeakPolarHBondContact O-CA 3.39Å; T225-T242 PolarHBondContact N-O 3.22Å; T225-T242 PolarHBondContact O-N 3.36Å; T225-T242 PolarHBondContact OG1-O 3.43Å
226E64.3Low66.2Low190 Ų19081.4 Ų81.489%0.88844%0.437SS*.EExtended strand (participates in β ladder)trans-55.1146.6164-68.5-170.2156.300110.6
227G61.8Low65.4Low9 Ų984.3 Ų84.39%0.09345%0.445CS..EExtended strand (participates in β ladder)trans-141.8145.9-160.500000114.4T239 T242G227-T239 PolarHBondContact O-N 3.47Å; G227-T239 VanDerWaalsContact O-N 3.12Å; G227-T242 VanDerWaalsContact CA-OG1 3.3Å; G227-T242 WeakPolarHBondContact CA-OG1 3.41Å
228L62.9Low64.3Low80 Ų8090.7 Ų90.742%0.41948%0.478SS..EExtended strand (participates in β ladder)trans-130.4126.7173.3-167.174.8000108.9C236 L238 S278L228-C236 HydrophobicContact CD1-CB 3.95Å; L228-C236 HydrophobicContact CD2-CB 3.92Å; L228-C236 HydrophobicContact CG-CB 3.86Å; L228-L238 HydrophobicContact CD1-CD1 4.17Å; L228-S278 VanDerWaalsContact O-CB 3.23Å; L228-S278 WeakPolarHBondContact O-CB 3.2Å; L228-S278 PolarHBondContact O-OG 3.07Å
229H62.7Low63.6Low15 Ų1584.1 Ų84.17%0.06945%0.449CS..EExtended strand (participates in β ladder)trans-113118179.5175.8-99.9000110.2C236 E237 T239 G312H229-C236 CarbonylContact O-C 3.5Å; H229-C236 WeakPolarHBondContact O-CA 3.25Å; H229-E237 PolarHBondContact N-O 3.01Å; H229-E237 PolarHBondContact O-N 3.43Å; H229-T239 HydrophobicContact CB-CG2 3.58Å; H229-G312 WeakPolarHBondContact CD2-CA 3.4Å; H229-G312 WeakPolarHBondContact NE2-CA 3.44Å
230C61.5Low62.7Low10 Ų1085.4 Ų85.47%0.06847%0.466CS..EExtended strand (participates in β ladder)trans-111.6111.6-172.2-65.10000112.1S232 C236 S278 S279 I280C230-S232 VanDerWaalsContact C-N 3.34Å; C230-C236 HydrophobicContact CB-CB 4.1Å; C230-C236 WeakPolarHBondContact CB-SG 3.01Å; C230-C236 WeakPolarHBondContact SG-CB 3.4Å; C230-C236 CovalentContact SG-SG 2.04Å; C230-C236 PolarHBondContact SG-SG 3.49Å; C230-S278 PolarHBondContact N-O 3.42Å; C230-S278 VanDerWaalsContact N-O 3.11Å; C230-S279 WeakPolarHBondContact O-CA 3.37Å; C230-I280 PolarHBondContact O-N 3.34Å
231V60.3Low62.6Low71 Ų7182.6 Ų82.643%0.4345%0.45SS..EExtended strand (participates in β ladder)trans-70.4-37.5170.1176.30000110L235 I280V231-L235 PolarHBondContact N-O 2.99Å; V231-I280 HydrophobicContact CG1-CD1 4.41Å
232S56Low63Low32 Ų3279.8 Ų79.822%0.22443%0.426CS..EExtended strand (participates in β ladder)trans-141.5167.1166.583.80000108.6C230 E234 L235C230-S232 VanDerWaalsContact C-N 3.34Å; S232-E234 PolarHBondContact O-N 3.5Å; S232-E234 VanDerWaalsContact O-N 3.09Å; S232-E234 PolarHBondContact OG-N 2.03Å; S232-L235 PolarHBondContact N-O 2.79Å; S232-L235 CarbonylContact O-C 3.43Å; S232-L235 PolarHBondContact O-N 3.43Å; S232-L235 VanDerWaalsContact O-N 3.08Å; S232-L235 WeakPolarHBondContact OG-CB 3.45Å; S232-L235 PolarHBondContact OG-N 2.94Å; S232-L235 VanDerWaalsContact OG-N 3.14Å
233P55.4Low63.6Low98 Ų9872.2 Ų72.264%0.63639%0.386SS*.THydrogen-bonded Turntrans-63.7-10.3173.927.7-37.3000114L281P233-L281 HydrophobicContact CG-CD1 4.35Å
234E55Low64.2Low181 Ų18168.1 Ų68.185%0.84638%0.376SS*.THydrogen-bonded Turntrans-104.9-9.1177.9-63167.6174.700112S232S232-E234 PolarHBondContact O-N 3.5Å; S232-E234 VanDerWaalsContact O-N 3.09Å; S232-E234 PolarHBondContact OG-N 2.03Å
235L60.8Low64.5Low110 Ų11066.4 Ų66.458%0.57637%0.365SS*.EExtended strand (participates in β ladder)trans-135.781.1-175.2-152.780.5000110V231 S232V231-L235 PolarHBondContact N-O 2.99Å; S232-L235 PolarHBondContact N-O 2.79Å; S232-L235 CarbonylContact O-C 3.43Å; S232-L235 PolarHBondContact O-N 3.43Å; S232-L235 VanDerWaalsContact O-N 3.08Å; S232-L235 WeakPolarHBondContact OG-CB 3.45Å; S232-L235 PolarHBondContact OG-N 2.94Å; S232-L235 VanDerWaalsContact OG-N 3.14Å
236C62.4Low65.1Low52 Ų5266 Ų6635%0.35137%0.367SS..EExtended strand (participates in β ladder)trans-113.6131.4177.6-59.10000111L228 H229 C230L228-C236 HydrophobicContact CD1-CB 3.95Å; L228-C236 HydrophobicContact CD2-CB 3.92Å; L228-C236 HydrophobicContact CG-CB 3.86Å; H229-C236 CarbonylContact O-C 3.5Å; H229-C236 WeakPolarHBondContact O-CA 3.25Å; C230-C236 HydrophobicContact CB-CB 4.1Å; C230-C236 WeakPolarHBondContact CB-SG 3.01Å; C230-C236 WeakPolarHBondContact SG-CB 3.4Å; C230-C236 CovalentContact SG-SG 2.04Å; C230-C236 PolarHBondContact SG-SG 3.49Å
237E61.6Low65.9Low137 Ų13759.4 Ų59.464%0.6434%0.337SS*.EExtended strand (participates in β ladder)trans-105.7140.5174.6-66.6-179148.300109.9H229 T239H229-E237 PolarHBondContact N-O 3.01Å; H229-E237 PolarHBondContact O-N 3.43Å; E237-T239 PolarHBondContact O-N 3.4Å
238L58.2Low66.5Low153 Ų15364.8 Ų64.880%0.80136%0.36SS*.EExtended strand (participates in β ladder)trans-78.5110.4176.9-164.677.3000108.6L228L228-L238 HydrophobicContact CD1-CD1 4.17Å
239T61.2Low67.1Low19 Ų1961.1 Ų61.112%0.11734%0.341CS..EExtended strand (participates in β ladder)trans-89.2157.4-179.553.90000111G227 H229 E237 G241 T325G227-T239 PolarHBondContact O-N 3.47Å; G227-T239 VanDerWaalsContact O-N 3.12Å; H229-T239 HydrophobicContact CB-CG2 3.58Å; E237-T239 PolarHBondContact O-N 3.4Å; T239-G241 PolarHBondContact O-N 3.09Å; T239-G241 VanDerWaalsContact O-N 3.1Å; T239-G241 PolarHBondContact OG1-O 3.32Å; T239-T325 PolarHBondContact OG1-OG1 3.08Å; T239-T325 VanDerWaalsContact OG1-OG1 3.13Å
240S57Low67.6Low78 Ų7863.5 Ų63.555%0.54536%0.358SS..EExtended strand (participates in β ladder)trans-65.3-14.4-178.7-46.30000112.9E323S240-E323 VanDerWaalsContact CB-O 3.31Å; S240-E323 WeakPolarHBondContact CB-O 3.39Å; S240-E323 PolarHBondContact N-O 2.91Å; S240-E323 PolarHBondContact OG-N 3.45Å; S240-E323 VanDerWaalsContact OG-N 3.08Å
241G70.9Confident68.3Low0 Ų066.4 Ų66.40%037%0.37CS..EExtended strand (participates in β ladder)trans171.7177.1163.400000112.6T225 T239 V324 T325T225-G241 CarbonylContact O-C 3.35Å; T225-G241 WeakPolarHBondContact O-CA 3.39Å; T239-G241 PolarHBondContact O-N 3.09Å; T239-G241 VanDerWaalsContact O-N 3.1Å; T239-G241 PolarHBondContact OG1-O 3.32Å; G241-V324 WeakPolarHBondContact O-CA 3.13Å; G241-T325 PolarHBondContact O-N 3.22Å
242T74.1Confident68.9Low8 Ų870.3 Ų70.35%0.04938%0.384CS..EExtended strand (participates in β ladder)trans-131.7129.6175.5-64.50000110.8T225 G227 T325 R327T225-T242 PolarHBondContact N-O 3.22Å; T225-T242 PolarHBondContact O-N 3.36Å; T225-T242 PolarHBondContact OG1-O 3.43Å; G227-T242 VanDerWaalsContact CA-OG1 3.3Å; G227-T242 WeakPolarHBondContact CA-OG1 3.41Å; T242-T325 CarbonylContact C-O 3.19Å; T242-T325 VanDerWaalsContact CA-O 3.26Å; T242-T325 WeakPolarHBondContact CA-O 3.47Å; T242-T325 HydrophobicContact CG2-CG2 4.45Å; T242-R327 HydrophobicContact CG2-CG 3.82Å
243L79.1Confident70Confident0 Ų069.2 Ų69.20%038%0.375CS..EExtended strand (participates in β ladder)trans-103.4125.5170.6179.760.3000109.2W219 R223 V224 L245 V324 T325 L326 R327W219-L243 HydrophobicContact CD2-CD2 3.88Å; W219-L243 HydrophobicContact CE3-CD2 3.7Å; W219-L243 HydrophobicContact CH2-CB 4.5Å; W219-L243 HydrophobicContact CH2-CD2 4.02Å; W219-L243 HydrophobicContact CZ2-CD2 4.18Å; W219-L243 HydrophobicContact CZ3-CD2 3.77Å; R223-L243 HydrophobicContact CB-CD1 3.61Å; R223-L243 WeakPolarHBondContact O-CD1 3.5Å; V224-L243 HydrophobicContact CG2-CB 4.31Å; L243-L245 HydrophobicContact CD1-CD2 4.27Å; L243-L245 HydrophobicContact CG-CD2 4.36Å; L243-L245 HydrophobicContact CG-CG 4.31Å; L243-V324 HydrophobicContact CB-CG1 4.44Å; L243-T325 PolarHBondContact N-O 3.13Å; L243-L326 HydrophobicContact CB-CD1 4.29Å; L243-L326 HydrophobicContact CD2-CD1 4.12Å; L243-L326 HydrophobicContact CG-CD1 4.17Å; L243-R327 PolarHBondContact O-N 2.89Å
244T79.8Confident71.2Confident52 Ų5264.5 Ų64.532%0.31935%0.345SS..EExtended strand (participates in β ladder)trans-116.3124.9176.4-55.50000111.4F275 R327T244-F275 HydrophobicContact CG2-CZ 4.21Å; T244-R327 WeakPolarHBondContact CA-O 3.28Å; T244-R327 HydrophobicContact CG2-CB 4.03Å
245L80.7Confident72.6Confident8 Ų856 Ų564%0.04231%0.305CS..EExtended strand (participates in β ladder)trans-120.5123.5178.8-57174.9000109.6V217 L243 L326 R327 L328 N329V217-L245 HydrophobicContact CG1-CD1 4.11Å; L243-L245 HydrophobicContact CD1-CD2 4.27Å; L243-L245 HydrophobicContact CG-CD2 4.36Å; L243-L245 HydrophobicContact CG-CG 4.31Å; L245-L326 HydrophobicContact CD1-CD1 4.07Å; L245-L326 HydrophobicContact CG-CD1 4.42Å; L245-R327 PolarHBondContact N-O 3.46Å; L245-L328 HydrophobicContact CB-CD2 4Å; L245-L328 HydrophobicContact CD1-CD2 3.95Å; L245-L328 HydrophobicContact CG-CD2 4.4Å; L245-L328 CarbonylContact O-C 3.4Å; L245-L328 WeakPolarHBondContact O-CA 3.44Å; L245-N329 PolarHBondContact O-N 2.96Å
246S82Confident73.7Confident84 Ų8451.9 Ų51.959%0.58728%0.283SS*.EExtended strand (participates in β ladder)trans-114.7125.3172.4-59.40000108.5N329S246-N329 WeakPolarHBondContact CA-O 3.42Å
247L79.4Confident74.5Confident50 Ų5049.5 Ų49.526%0.26227%0.266SS..EExtended strand (participates in β ladder)trans-142143.8-171.7-61.9165.2000111.3L215 V217 N329 L330 T331L215-L247 HydrophobicContact CD2-CD1 4.38Å; V217-L247 HydrophobicContact CG1-CD1 4.34Å; V217-L247 HydrophobicContact CG2-CD1 3.62Å; L247-N329 PolarHBondContact N-O 3.43Å; L247-L330 HydrophobicContact CB-CD2 3.88Å; L247-L330 HydrophobicContact CD1-CD2 3.93Å; L247-L330 HydrophobicContact CG-CD2 4.37Å; L247-T331 PolarHBondContact O-N 3.34Å
248E75.6Confident75.3Confident123 Ų12345.4 Ų45.458%0.57525%0.249SC*.EExtended strand (participates in β ladder)trans-88.1142.7163.8-57-151.2153.300110.5K333E248-K333 WeakPolarHBondContact OE1-CE 3.2Å; E248-K333 IonicContact OE1-NZ 3.36Å; E248-K333 PolarHBondContact OE1-NZ 2.63Å; E248-K333 WeakPolarHBondContact OE2-CE 3.41Å; E248-K333 IonicContact OE2-NZ 2.68Å; E248-K333 PolarHBondContact OE2-NZ 3.33Å
249V76.2Confident76.1Confident3 Ų338.6 Ų38.62%0.01821%0.213CC..EExtended strand (participates in β ladder)trans-137.2123.4-171.8-175.50000109L215 T253 V255 L330 T331 V332 K333L215-V249 HydrophobicContact CD2-CG2 4.17Å; V249-T253 HydrophobicContact CG1-CG2 4.11Å; V249-V255 HydrophobicContact CG1-CG2 4.24Å; V249-V255 HydrophobicContact CG2-CG2 4.08Å; V249-L330 HydrophobicContact CG2-CB 4.25Å; V249-L330 HydrophobicContact CG2-CD2 4.22Å; V249-T331 PolarHBondContact N-O 3.38Å; V249-V332 HydrophobicContact CB-CG2 4.38Å; V249-V332 VanDerWaalsContact O-CA 3.24Å; V249-V332 WeakPolarHBondContact O-CA 3.42Å; V249-K333 PolarHBondContact O-N 3.3Å
250P72.8Confident76.3Confident65 Ų6542.7 Ų42.742%0.42224%0.235SC..EExtended strand (participates in β ladder)trans-68150171.2-1831.3000111T253P250-T253 WeakPolarHBondContact O-CB 3.44Å; P250-T253 PolarHBondContact O-N 3.02Å; P250-T253 PolarHBondContact O-OG1 3.28Å
251E75.3Confident76.6Confident71 Ų7140.5 Ų40.533%0.33222%0.221SC..THydrogen-bonded Turntrans-55.1151.3174.1-168.3165.9-151.600112.4R213 T253 L304 K333 A334R213-E251 PolarHBondContact NH1-O 3.24Å; E251-T253 PolarHBondContact O-N 3.39Å; E251-L304 HydrophobicContact CB-CD2 4.16Å; E251-L304 HydrophobicContact CG-CD2 4.17Å; E251-K333 PolarHBondContact N-O 2.04Å; E251-A334 WeakPolarHBondContact OE2-CA 3.4Å
252E73.7Confident76Confident153 Ų15343.2 Ų43.272%0.71524%0.24SC*.THydrogen-bonded Turntrans61.79.3-170.8-51.2-161.7130.900116.2
253T78.9Confident75.2Confident8 Ų846 Ų465%0.04927%0.271CS..  trans-89.9126.4179.4-51.60000112.3R213 L215 V249 P250 E251R213-T253 HydrophobicContact CB-CG2 3.94Å; R213-T253 VanDerWaalsContact CB-OG1 3.31Å; R213-T253 WeakPolarHBondContact CB-OG1 3Å; R213-T253 WeakPolarHBondContact CD-OG1 3.45Å; R213-T253 WeakPolarHBondContact O-CA 3.45Å; L215-T253 HydrophobicContact CB-CG2 3.93Å; V249-T253 HydrophobicContact CG1-CG2 4.11Å; P250-T253 WeakPolarHBondContact O-CB 3.44Å; P250-T253 PolarHBondContact O-N 3.02Å; P250-T253 PolarHBondContact O-OG1 3.28Å; E251-T253 PolarHBondContact O-N 3.39Å
254A81.4Confident74.3Confident0 Ų049 Ų490%030%0.295CS..EExtended strand (participates in β ladder)trans-84.8153.5167.600000111.1W206 R213 L214 L215 V296W206-A254 HydrophobicContact CZ2-CB 4.46Å; R213-A254 PolarHBondContact O-N 3.46Å; L214-A254 WeakPolarHBondContact CA-O 3.05Å; L214-A254 HydrophobicContact CD1-CB 4.04Å; L215-A254 PolarHBondContact N-O 3.48Å; A254-V296 HydrophobicContact CB-CG1 4.44Å
255V83.3Confident73.7Confident1 Ų147.5 Ų47.51%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-116.3119.6179.9-176.10000110.2L215 V217 V249 V296 V297 L302 L330L215-V255 HydrophobicContact CB-CG2 4.4Å; L215-V255 HydrophobicContact CD2-CG2 4.43Å; L215-V255 CarbonylContact O-C 3.6Å; L215-V255 WeakPolarHBondContact O-CA 3.35Å; V217-V255 HydrophobicContact CG2-CG1 3.98Å; V249-V255 HydrophobicContact CG1-CG2 4.24Å; V249-V255 HydrophobicContact CG2-CG2 4.08Å; V255-V296 WeakPolarHBondContact O-CA 3.02Å; V255-V297 PolarHBondContact N-O 3.46Å; V255-V297 PolarHBondContact O-N 3.36Å; V255-L302 HydrophobicContact CG2-CD1 3.88Å; V255-L330 HydrophobicContact CG2-CD1 4.25Å
256K83.3Confident73.3Confident25 Ų2548.5 Ų48.511%0.10929%0.293CS..EExtended strand (participates in β ladder)trans-103.9118173.5-178.8-174.5-172.6-1590109.9L214 L215 V217 L258 D293 V296L214-K256 HydrophobicContact CD1-CB 4.05Å; L215-K256 PolarHBondContact O-N 3.12Å; V217-K256 PolarHBondContact N-O 3.25Å; K256-L258 HydrophobicContact CD-CD2 3.91Å; K256-L258 HydrophobicContact CG-CD2 4.34Å; K256-D293 IonicContact NZ-OD2 2.64Å; K256-D293 PolarHBondContact NZ-OD2 3.17Å; K256-V296 HydrophobicContact CB-CG2 4Å; K256-V296 HydrophobicContact CG-CG2 3.91Å
257V80.1Confident73.3Confident1 Ų144.6 Ų44.61%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-93.7118.5168.9-176.90000108.5W219 V259 G294 L295W219-V257 HydrophobicContact CE3-CG1 4.46Å; V257-V259 HydrophobicContact CG1-CG1 4.4Å; V257-V259 PolarHBondContact O-N 3.28Å; V257-G294 CarbonylContact O-C 3.4Å; V257-G294 WeakPolarHBondContact O-CA 3.39Å; V257-L295 PolarHBondContact N-O 3.4Å; V257-L295 PolarHBondContact O-N 2.99Å
258L78.8Confident73.4Confident52 Ų5244.7 Ų44.727%0.27226%0.262SS..EExtended strand (participates in β ladder)trans-78.299.5-179.9-63.6172.3000110.3V216 V217 Q218 W219 K256 D293V216-L258 HydrophobicContact CG1-CD1 3.59Å; V216-L258 HydrophobicContact CG1-CD2 4.11Å; V216-L258 HydrophobicContact CG1-CG 3.75Å; V217-L258 PolarHBondContact O-N 3.06Å; Q218-L258 HydrophobicContact CG-CD1 4.01Å; W219-L258 WeakPolarHBondContact CB-O 3.22Å; W219-L258 PolarHBondContact N-O 3.01Å; K256-L258 HydrophobicContact CD-CD2 3.91Å; K256-L258 HydrophobicContact CG-CD2 4.34Å; L258-D293 WeakPolarHBondContact CA-O 3.05Å; L258-D293 WeakPolarHBondContact CD2-O 3.44Å
259V74.1Confident73.8Confident9 Ų943.3 Ų43.36%0.05525%0.252CS..  trans-149.4134.6-179.362.60000111.5W219 V257 A261 D293 L295 I314 V316W219-V259 HydrophobicContact CB-CB 4.2Å; W219-V259 HydrophobicContact CB-CG2 4.47Å; W219-V259 HydrophobicContact CD2-CB 4.23Å; W219-V259 HydrophobicContact CD2-CG2 3.78Å; W219-V259 HydrophobicContact CE3-CB 3.91Å; W219-V259 HydrophobicContact CE3-CG1 4.47Å; W219-V259 HydrophobicContact CE3-CG2 3.67Å; W219-V259 HydrophobicContact CG-CB 4.38Å; W219-V259 HydrophobicContact CG-CG2 4.15Å; W219-V259 HydrophobicContact CZ3-CG2 4.18Å; V257-V259 HydrophobicContact CG1-CG1 4.4Å; V257-V259 PolarHBondContact O-N 3.28Å; V259-A261 HydrophobicContact CG1-CB 4.31Å; V259-A261 HydrophobicContact CG2-CB 4.46Å; V259-A261 PolarHBondContact O-N 2.78Å; V259-D293 PolarHBondContact N-O 2.84Å; V259-L295 HydrophobicContact CG1-CD1 4.03Å; V259-L295 HydrophobicContact CG1-CG 4.11Å; V259-I314 HydrophobicContact CG2-CG2 4.5Å; V259-V316 HydrophobicContact CG2-CG1 4.49Å; V259-V316 HydrophobicContact CG2-CG2 4.24Å
260N65.6Low74.1Confident106 Ų10643.9 Ų43.957%0.56726%0.255SS*.  trans-87.685.4176.7-174.128.1000110.3V316 D317N260-V316 WeakPolarHBondContact O-CA 3.49Å; N260-D317 WeakPolarHBondContact CB-OD1 3.41Å; N260-D317 PolarHBondContact ND2-OD1 2.81Å; N260-D317 PolarHBondContact O-N 2.83Å
261A63.5Low74.6Confident31 Ų3144 Ų4426%0.25626%0.257SS..EExtended strand (participates in β ladder)trans-108.3135.9-167.400000113.8V259 L295 I314 R315V259-A261 HydrophobicContact CG1-CB 4.31Å; V259-A261 HydrophobicContact CG2-CB 4.46Å; V259-A261 PolarHBondContact O-N 2.78Å; A261-L295 HydrophobicContact CB-CD1 4.37Å; A261-I314 HydrophobicContact CB-CG2 3.69Å; A261-R315 WeakPolarHBondContact CA-O 3.34Å
262S59Low74.9Confident58 Ų5845.5 Ų45.541%0.40626%0.264SS..EExtended strand (participates in β ladder)trans-115.4114169.566.20000111.5R315S262-R315 PolarHBondContact N-O 3.32Å
263G57.8Low75.1Confident67 Ų6744.4 Ų44.469%0.69126%0.259SS*.SBendtrans163.2179.7178.700000113.3
264A59.6Low75.1Confident62 Ų6244.3 Ų44.351%0.51226%0.26SS..  trans-70.7137.7177.600000111.6V266 K311A264-V266 HydrophobicContact CB-CG2 4.01Å; A264-V266 PolarHBondContact O-N 3.24Å; A264-K311 PolarHBondContact O-NZ 3.22Å
265P65.8Low75.1Confident21 Ų2145 Ų4514%0.13626%0.263CS..  trans-7716.7-172.130.8-36.8000115.4L203 L267 W287 F288L203-P265 HydrophobicContact CD2-CB 3.69Å; L203-P265 HydrophobicContact CD2-CG 3.52Å; L203-P265 HydrophobicContact CG-CG 4.43Å; P265-L267 PolarHBondContact O-N 3.28Å; P265-W287 HydrophobicContact CG-CE3 3.96Å; P265-W287 HydrophobicContact CG-CZ3 4.41Å; P265-W287 WeakPolarHBondContact O-CA 3.36Å; P265-F288 HydrophobicContact CB-CB 4.36Å; P265-F288 PolarHBondContact O-N 3.37Å
266V72.8Confident74.9Confident29 Ų2950.4 Ų50.418%0.17629%0.292CS..EExtended strand (participates in β ladder)trans-61.5128.7-178.3-159.60000111A264 W268 T285 W287 K311A264-V266 HydrophobicContact CB-CG2 4.01Å; A264-V266 PolarHBondContact O-N 3.24Å; V266-W268 HydrophobicContact CB-CZ2 4.26Å; V266-W268 HydrophobicContact CG1-CD2 4.45Å; V266-W268 HydrophobicContact CG1-CH2 4.42Å; V266-W268 HydrophobicContact CG1-CZ2 3.61Å; V266-T285 HydrophobicContact CG1-CG2 3.55Å; V266-W287 HydrophobicContact CB-CZ3 4.44Å; V266-W287 HydrophobicContact CG2-CE3 4.27Å; V266-W287 HydrophobicContact CG2-CH2 4.34Å; V266-W287 HydrophobicContact CG2-CZ3 3.71Å; V266-K311 WeakPolarHBondContact O-CD 3.06Å; V266-K311 WeakPolarHBondContact O-CE 3.43Å; V266-K311 PolarHBondContact O-NZ 2.98Å
267L81.9Confident74.4Confident2 Ų257.9 Ų57.91%0.0132%0.319CS..EExtended strand (participates in β ladder)trans-130.7136.6173.5174.867.5000108.2P265 I286 F288 V297 F309 K311P265-L267 PolarHBondContact O-N 3.28Å; L267-I286 HydrophobicContact CB-CG1 4.03Å; L267-I286 HydrophobicContact CD2-CD1 3.74Å; L267-I286 HydrophobicContact CD2-CG1 4.17Å; L267-I286 HydrophobicContact CG-CD1 4.09Å; L267-I286 HydrophobicContact CG-CG1 4.04Å; L267-I286 PolarHBondContact N-O 2.91Å; L267-I286 CarbonylContact O-C 3.5Å; L267-I286 WeakPolarHBondContact O-CA 3.05Å; L267-I286 WeakPolarHBondContact O-CG1 3.44Å; L267-I286 PolarHBondContact O-N 3.04Å; L267-F288 HydrophobicContact CB-CD2 3.9Å; L267-F288 HydrophobicContact CB-CE2 3.89Å; L267-F288 HydrophobicContact CB-CG 4.48Å; L267-F288 HydrophobicContact CB-CZ 4.45Å; L267-F288 HydrophobicContact CD1-CE2 3.74Å; L267-F288 HydrophobicContact CD1-CZ 3.74Å; L267-F288 HydrophobicContact CD2-CD1 4.14Å; L267-F288 HydrophobicContact CD2-CD2 4.4Å; L267-F288 HydrophobicContact CD2-CE1 3.84Å; L267-F288 HydrophobicContact CD2-CE2 4.11Å; L267-F288 HydrophobicContact CD2-CG 4.43Å; L267-F288 HydrophobicContact CD2-CZ 3.83Å; L267-F288 HydrophobicContact CG-CE2 4.14Å; L267-F288 HydrophobicContact CG-CZ 4.23Å; L267-V297 HydrophobicContact CD2-CG2 4.04Å; L267-F309 HydrophobicContact CD1-CB 3.81Å; L267-F309 HydrophobicContact CD2-CB 4.33Å; L267-F309 HydrophobicContact CD2-CD1 4.22Å; L267-F309 HydrophobicContact CD2-CG 4.4Å; L267-F309 HydrophobicContact CG-CB 4.15Å; L267-F309 HydrophobicContact CG-CD1 4.4Å; L267-K311 HydrophobicContact CD1-CB 3.9Å
268W82.2Confident74.1Confident51 Ų5158.6 Ų58.619%0.19332%0.324CS..EExtended strand (participates in β ladder)trans-107.3120.6-178.2-64.3-69.9000111.1V266 V270 I280 T284 T285 F309 L310V266-W268 HydrophobicContact CB-CZ2 4.26Å; V266-W268 HydrophobicContact CG1-CD2 4.45Å; V266-W268 HydrophobicContact CG1-CH2 4.42Å; V266-W268 HydrophobicContact CG1-CZ2 3.61Å; W268-V270 HydrophobicContact CB-CG1 4.41Å; W268-I280 HydrophobicContact CB-CG2 4.06Å; W268-I280 HydrophobicContact CD2-CG2 3.88Å; W268-I280 HydrophobicContact CE3-CG2 3.78Å; W268-I280 HydrophobicContact CG-CB 4.45Å; W268-I280 HydrophobicContact CG-CG2 3.98Å; W268-T284 WeakPolarHBondContact CA-O 3.49Å; W268-T285 PolarHBondContact NE1-OG1 2.97Å; W268-F309 CarbonylContact O-C 3.4Å; W268-F309 WeakPolarHBondContact O-CA 3.47Å; W268-L310 PolarHBondContact N-O 3.09Å; W268-L310 PolarHBondContact O-N 2.8Å
269R83.3Confident74Confident95 Ų9556.6 Ų56.636%0.35831%0.314SS..EExtended strand (participates in β ladder)trans-84.9123.6169.2-172.7-178.7-172.2-140.41.3108.6G283 T284 I286 P303 N307 Y308 F309R269-G283 CarbonylContact O-C 3.5Å; R269-G283 WeakPolarHBondContact O-CA 3.01Å; R269-T284 PolarHBondContact N-O 2.89Å; R269-T284 PolarHBondContact O-N 3.18Å; R269-T284 PolarHBondContact O-OG1 2.88Å; R269-I286 HydrophobicContact CB-CD1 4.49Å; R269-P303 VanDerWaalsContact NH2-CG 3.33Å; R269-N307 PolarHBondContact NH2-OD1 3.15Å; R269-Y308 WeakPolarHBondContact CA-O 3.42Å; R269-F309 HydrophobicContact CB-CD1 3.63Å; R269-F309 HydrophobicContact CB-CE1 3.68Å; R269-F309 HydrophobicContact CG-CD1 3.84Å; R269-F309 HydrophobicContact CG-CE1 3.55Å; R269-F309 HydrophobicContact CG-CZ 4.33Å
270V84.1Confident74Confident14 Ų1457.9 Ų57.99%0.08532%0.321CS..EExtended strand (participates in β ladder)trans-124.4169.1-171.3-660000111.6W268 F275 Y308 L310W268-V270 HydrophobicContact CB-CG1 4.41Å; V270-F275 HydrophobicContact CG2-CB 3.88Å; V270-F275 HydrophobicContact CG2-CD2 4.43Å; V270-Y308 PolarHBondContact N-O 3.39Å; V270-L310 HydrophobicContact CG1-CD1 4.05Å; V270-L310 HydrophobicContact CG1-CG 4.32Å; V270-L310 HydrophobicContact CG2-CD1 4.08Å; V270-L310 HydrophobicContact CG2-CG 3.86Å
271S82.6Confident74Confident67 Ų6756.9 Ų56.947%0.46932%0.315SS..  trans-73.4167.7165.663.20000111.3E273 G274 F275S271-E273 VanDerWaalsContact C-N 3.33Å; S271-E273 PolarHBondContact O-N 3.45Å; S271-G274 PolarHBondContact O-N 3.39Å; S271-G274 PolarHBondContact OG-N 2.99Å; S271-F275 WeakPolarHBondContact O-CB 3.38Å; S271-F275 PolarHBondContact O-N 3.39Å
272E81Confident74Confident103 Ų10363 Ų6348%0.48134%0.343SS..Hα-helixtrans-56.5-44.7173.3-170.6162.9150.600112.3G274 F275 L276 Y308E272-G274 PolarHBondContact O-N 3.42Å; E272-F275 WeakPolarHBondContact O-CB 3.49Å; E272-F275 PolarHBondContact O-N 2.97Å; E272-L276 HydrophobicContact CG-CD1 4.05Å; E272-L276 WeakPolarHBondContact O-CB 3.44Å; E272-L276 VanDerWaalsContact O-CG 3.3Å; E272-L276 WeakPolarHBondContact O-CG 3.25Å; E272-L276 PolarHBondContact O-N 3.35Å; E272-Y308 HydrophobicContact CB-CD2 4.09Å; E272-Y308 HydrophobicContact CB-CE2 3.49Å; E272-Y308 VanDerWaalsContact CB-CE2 3.49Å; E272-Y308 HydrophobicContact CG-CE1 4.32Å; E272-Y308 HydrophobicContact CG-CE2 3.85Å; E272-Y308 WeakPolarHBondContact CG-OH 3.24Å; E272-Y308 PolarHBondContact OE2-OH 2.81Å
273E79.2Confident74.5Confident130 Ų13061.3 Ų61.361%0.60734%0.335SS*.Hα-helixtrans-62.3-42176.3-60.4-170.2158.700112.5S271 R277S271-E273 VanDerWaalsContact C-N 3.33Å; S271-E273 PolarHBondContact O-N 3.45Å; E273-R277 WeakPolarHBondContact O-CB 3.19Å; E273-R277 WeakPolarHBondContact O-CG 3.42Å; E273-R277 PolarHBondContact O-N 3.45Å; E273-R277 VanDerWaalsContact O-N 3.09Å
274G77.4Confident75.5Confident7 Ų762 Ų627%0.07233%0.326CS..Hα-helixtrans-64.1-43.1175.900000111.4S271 E272 R277 S278 S279S271-G274 PolarHBondContact O-N 3.39Å; S271-G274 PolarHBondContact OG-N 2.99Å; E272-G274 PolarHBondContact O-N 3.42Å; G274-R277 PolarHBondContact O-N 3.18Å; G274-S278 PolarHBondContact O-N 3.37Å; G274-S279 CarbonylContact C-O 3.59Å; G274-S279 WeakPolarHBondContact CA-O 3.46Å; G274-S279 PolarHBondContact O-N 3.39Å
275F81.9Confident76.4Confident13 Ų1362.7 Ų62.76%0.05732%0.324CS..Hα-helixtrans-59.4-54.9174.8-174.2-102.9000111.7T244 V270 S271 E272 R277 S278 Y308 L310 R327 L328 N329T244-F275 HydrophobicContact CG2-CZ 4.21Å; V270-F275 HydrophobicContact CG2-CB 3.88Å; V270-F275 HydrophobicContact CG2-CD2 4.43Å; S271-F275 WeakPolarHBondContact O-CB 3.38Å; S271-F275 PolarHBondContact O-N 3.39Å; E272-F275 WeakPolarHBondContact O-CB 3.49Å; E272-F275 PolarHBondContact O-N 2.97Å; F275-R277 VanDerWaalsContact C-N 3.25Å; F275-R277 PolarHBondContact O-N 3.2Å; F275-S278 PolarHBondContact O-N 3.08Å; F275-Y308 HydrophobicContact CB-CD1 3.97Å; F275-Y308 HydrophobicContact CB-CG 3.97Å; F275-Y308 AromaticContact CD1-CD1 3.68Å; F275-Y308 HydrophobicContact CD1-CD1 3.68Å; F275-Y308 HydrophobicContact CD1-CE1 4.22Å; F275-Y308 HydrophobicContact CD2-CD1 4.15Å; F275-Y308 HydrophobicContact CD2-CG 4.45Å; F275-Y308 HydrophobicContact CE1-CD1 4.16Å; F275-Y308 AromaticContact CG-CD1 3.67Å; F275-Y308 HydrophobicContact CG-CD1 3.67Å; F275-Y308 HydrophobicContact CG-CG 4.09Å; F275-L310 HydrophobicContact CD2-CD2 3.64Å; F275-L310 HydrophobicContact CD2-CG 4.33Å; F275-L310 HydrophobicContact CE2-CD2 4.07Å; F275-L310 HydrophobicContact CG-CD2 4.49Å; F275-R327 HydrophobicContact CE2-CB 3.73Å; F275-R327 HydrophobicContact CE2-CG 4.49Å; F275-R327 HydrophobicContact CZ-CB 3.91Å; F275-R327 PolarHBondContact O-NH1 2.04Å; F275-R327 VanDerWaalsContact O-NH1 3.14Å; F275-R327 PolarHBondContact O-NH2 3.31Å; F275-L328 VanDerWaalsContact CE2-O 3.31Å; F275-L328 WeakPolarHBondContact CE2-O 3.35Å; F275-N329 HydrophobicContact CE1-CB 4.3Å; F275-N329 HydrophobicContact CZ-CB 4.09Å
276L79.5Confident77Confident116 Ų11662.9 Ų62.961%0.60732%0.323SS*.Hα-helixtrans-54.4-43.2-179.4-72.2166000111.4E272 S278 R327E272-L276 HydrophobicContact CG-CD1 4.05Å; E272-L276 WeakPolarHBondContact O-CB 3.44Å; E272-L276 VanDerWaalsContact O-CG 3.3Å; E272-L276 WeakPolarHBondContact O-CG 3.25Å; E272-L276 PolarHBondContact O-N 3.35Å; L276-S278 VanDerWaalsContact C-N 3.32Å; L276-S278 PolarHBondContact O-N 3.08Å; L276-R327 PolarHBondContact O-NH1 3.28Å
277R73.3Confident77.1Confident181 Ų18167.1 Ų67.168%0.68334%0.337SS*.THydrogen-bonded Turntrans-82.78.1179.9-63.6179-178.8172.15.5115.2E273 G274 F275 S279E273-R277 WeakPolarHBondContact O-CB 3.19Å; E273-R277 WeakPolarHBondContact O-CG 3.42Å; E273-R277 PolarHBondContact O-N 3.45Å; E273-R277 VanDerWaalsContact O-N 3.09Å; G274-R277 PolarHBondContact O-N 3.18Å; F275-R277 VanDerWaalsContact C-N 3.25Å; F275-R277 PolarHBondContact O-N 3.2Å; R277-S279 PolarHBondContact O-N 3.36Å; R277-S279 VanDerWaalsContact O-N 3.14Å
278S73.5Confident76.9Confident17 Ų1767.3 Ų67.312%0.11934%0.337CS..THydrogen-bonded Turntrans49.734.9-173.2-68.70000113.3L228 C230 G274 F275 L276 R327L228-S278 VanDerWaalsContact O-CB 3.23Å; L228-S278 WeakPolarHBondContact O-CB 3.2Å; L228-S278 PolarHBondContact O-OG 3.07Å; C230-S278 PolarHBondContact N-O 3.42Å; C230-S278 VanDerWaalsContact N-O 3.11Å; G274-S278 PolarHBondContact O-N 3.37Å; F275-S278 PolarHBondContact O-N 3.08Å; L276-S278 VanDerWaalsContact C-N 3.32Å; L276-S278 PolarHBondContact O-N 3.08Å; S278-R327 PolarHBondContact OG-NH1 3.33Å
279S75.4Confident76.7Confident9 Ų966.9 Ų66.96%0.06334%0.338CS..BIsolated β-bridgetrans-119.1133.5-170.3-169.50000113.1C230 G274 R277 L281C230-S279 WeakPolarHBondContact O-CA 3.37Å; G274-S279 CarbonylContact C-O 3.59Å; G274-S279 WeakPolarHBondContact CA-O 3.46Å; G274-S279 PolarHBondContact O-N 3.39Å; R277-S279 PolarHBondContact O-N 3.36Å; R277-S279 VanDerWaalsContact O-N 3.14Å; S279-L281 VanDerWaalsContact C-N 3.27Å; S279-L281 PolarHBondContact O-N 3.41Å
280I75.3Confident76.2Confident36 Ų3665.1 Ų65.119%0.18533%0.334CS..  trans-87.213178.664.1173.7000113.7C230 V231 W268 N282 G283 L310C230-I280 PolarHBondContact O-N 3.34Å; V231-I280 HydrophobicContact CG1-CD1 4.41Å; W268-I280 HydrophobicContact CB-CG2 4.06Å; W268-I280 HydrophobicContact CD2-CG2 3.88Å; W268-I280 HydrophobicContact CE3-CG2 3.78Å; W268-I280 HydrophobicContact CG-CB 4.45Å; W268-I280 HydrophobicContact CG-CG2 3.98Å; I280-N282 PolarHBondContact O-N 3.08Å; I280-G283 WeakPolarHBondContact O-CA 3.46Å; I280-G283 PolarHBondContact O-N 3.13Å; I280-L310 HydrophobicContact CG2-CD1 4.32Å
281L64.3Low75.6Confident86 Ų8664.7 Ų64.745%0.4533%0.332SS..THydrogen-bonded Turntrans-59.6126.1178.9-123.7144.3000110.8P233 S279 G283P233-L281 HydrophobicContact CG-CD1 4.35Å; S279-L281 VanDerWaalsContact C-N 3.27Å; S279-L281 PolarHBondContact O-N 3.41Å; L281-G283 PolarHBondContact O-N 3.42Å; L281-G283 VanDerWaalsContact O-N 3.12Å
282N63.3Low74.8Confident159 Ų15967.4 Ų67.485%0.8535%0.348SS*.THydrogen-bonded Turntrans56.415.5-170.6-56.4-26.2000115I280I280-N282 PolarHBondContact O-N 3.08Å
283G71Confident74.4Confident22 Ų2267.3 Ų67.323%0.22735%0.351CS..PPolyproline II helixtrans-69.8138.7177.200000112.7R269 I280 L281R269-G283 CarbonylContact O-C 3.5Å; R269-G283 WeakPolarHBondContact O-CA 3.01Å; I280-G283 WeakPolarHBondContact O-CA 3.46Å; I280-G283 PolarHBondContact O-N 3.13Å; L281-G283 PolarHBondContact O-N 3.42Å; L281-G283 VanDerWaalsContact O-N 3.12Å
284T79.2Confident74.2Confident83 Ų8361.1 Ų61.151%0.50932%0.323SS..EExtended strand (participates in β ladder)trans-89.6131173.949.30000110.4W268 R269 I286W268-T284 WeakPolarHBondContact CA-O 3.49Å; R269-T284 PolarHBondContact N-O 2.89Å; R269-T284 PolarHBondContact O-N 3.18Å; R269-T284 PolarHBondContact O-OG1 2.88Å; T284-I286 PolarHBondContact O-N 2.85Å
285T77.1Confident74.4Confident76 Ų7661.3 Ų61.347%0.46632%0.322SS..EExtended strand (participates in β ladder)trans-80118.5178.9-61.80000110.3V266 W268 W287V266-T285 HydrophobicContact CG1-CG2 3.55Å; W268-T285 PolarHBondContact NE1-OG1 2.97Å; T285-W287 HydrophobicContact CG2-CZ2 4.46Å
286I79Confident74.3Confident24 Ų2460.7 Ų60.712%0.12332%0.319CS..EExtended strand (participates in β ladder)trans-117.9-179.1168.260.5164.3000109.6L267 R269 T284 L301 F309L267-I286 HydrophobicContact CB-CG1 4.03Å; L267-I286 HydrophobicContact CD2-CD1 3.74Å; L267-I286 HydrophobicContact CD2-CG1 4.17Å; L267-I286 HydrophobicContact CG-CD1 4.09Å; L267-I286 HydrophobicContact CG-CG1 4.04Å; L267-I286 PolarHBondContact N-O 2.91Å; L267-I286 CarbonylContact O-C 3.5Å; L267-I286 WeakPolarHBondContact O-CA 3.05Å; L267-I286 WeakPolarHBondContact O-CG1 3.44Å; L267-I286 PolarHBondContact O-N 3.04Å; R269-I286 HydrophobicContact CB-CD1 4.49Å; T284-I286 PolarHBondContact O-N 2.85Å; I286-L301 HydrophobicContact CB-CD1 4.3Å; I286-L301 HydrophobicContact CD1-CD1 4Å; I286-F309 HydrophobicContact CD1-CD1 3.68Å; I286-F309 HydrophobicContact CD1-CE1 3.52Å
287W75.1Confident74.6Confident119 Ų11955.2 Ų55.245%0.45129%0.291SS..EExtended strand (participates in β ladder)trans-133.2133.2-173.8-53.492.1000110P201 P265 V266 T285P201-W287 HydrophobicContact CG-CH2 3.94Å; P201-W287 HydrophobicContact CG-CZ2 4.34Å; P201-W287 HydrophobicContact CG-CZ3 4.14Å; P265-W287 HydrophobicContact CG-CE3 3.96Å; P265-W287 HydrophobicContact CG-CZ3 4.41Å; P265-W287 WeakPolarHBondContact O-CA 3.36Å; V266-W287 HydrophobicContact CB-CZ3 4.44Å; V266-W287 HydrophobicContact CG2-CE3 4.27Å; V266-W287 HydrophobicContact CG2-CH2 4.34Å; V266-W287 HydrophobicContact CG2-CZ3 3.71Å; T285-W287 HydrophobicContact CG2-CZ2 4.46Å
288F77.1Confident75Confident6 Ų647.4 Ų47.43%0.02626%0.263CS..PPolyproline II helixtrans-64.7147.1164.2-77.4-70.6000110.2P265 L267 L295 V297 K311 L326 L328P265-F288 HydrophobicContact CB-CB 4.36Å; P265-F288 PolarHBondContact O-N 3.37Å; L267-F288 HydrophobicContact CB-CD2 3.9Å; L267-F288 HydrophobicContact CB-CE2 3.89Å; L267-F288 HydrophobicContact CB-CG 4.48Å; L267-F288 HydrophobicContact CB-CZ 4.45Å; L267-F288 HydrophobicContact CD1-CE2 3.74Å; L267-F288 HydrophobicContact CD1-CZ 3.74Å; L267-F288 HydrophobicContact CD2-CD1 4.14Å; L267-F288 HydrophobicContact CD2-CD2 4.4Å; L267-F288 HydrophobicContact CD2-CE1 3.84Å; L267-F288 HydrophobicContact CD2-CE2 4.11Å; L267-F288 HydrophobicContact CD2-CG 4.43Å; L267-F288 HydrophobicContact CD2-CZ 3.83Å; L267-F288 HydrophobicContact CG-CE2 4.14Å; L267-F288 HydrophobicContact CG-CZ 4.23Å; F288-L295 HydrophobicContact CB-CB 4.19Å; F288-L295 HydrophobicContact CB-CD2 4.07Å; F288-L295 HydrophobicContact CD1-CB 3.68Å; F288-L295 HydrophobicContact CD2-CB 4.43Å; F288-L295 HydrophobicContact CD2-CD1 3.97Å; F288-L295 HydrophobicContact CE1-CB 4.03Å; F288-L295 HydrophobicContact CE2-CD1 4.07Å; F288-L295 HydrophobicContact CG-CB 3.89Å; F288-L295 HydrophobicContact CG-CD1 4.25Å; F288-L295 HydrophobicContact CG-CD2 4.41Å; F288-L295 HydrophobicContact CG-CG 4.42Å; F288-L295 HydrophobicContact CZ-CD1 4.44Å; F288-V297 HydrophobicContact CD1-CG2 3.98Å; F288-V297 HydrophobicContact CE1-CG2 3.63Å; F288-K311 HydrophobicContact CE2-CB 4.24Å; F288-K311 HydrophobicContact CE2-CD 4.06Å; F288-K311 HydrophobicContact CE2-CG 4.02Å; F288-L326 HydrophobicContact CZ-CD2 4.28Å; F288-L328 HydrophobicContact CZ-CD1 4.47Å
289L77.8Confident75.2Confident41 Ų4148.1 Ų48.122%0.21527%0.266CS..EExtended strand (participates in β ladder)trans-95.7144.3167.4-52.9-179.3000110.2W206 V296 P298W206-L289 HydrophobicContact CB-CB 3.68Å; W206-L289 HydrophobicContact CB-CD1 4.16Å; W206-L289 HydrophobicContact CG-CB 4.21Å; W206-L289 HydrophobicContact CG-CD1 4.08Å; L289-V296 HydrophobicContact CB-CB 4.46Å; L289-V296 PolarHBondContact N-O 3.42Å; L289-V296 PolarHBondContact O-N 2.87Å; L289-P298 HydrophobicContact CD1-CB 4.1Å; L289-P298 HydrophobicContact CD1-CG 3.89Å; L289-P298 HydrophobicContact CG-CG 4.41Å
290Q72.2Confident75.4Confident58 Ų5857.7 Ų57.727%0.27130%0.3SS..EExtended strand (participates in β ladder)trans-88.3123.2-174.7-167.166.651.300111.1L203 Q204 W206L203-Q290 HydrophobicContact CD2-CB 4.23Å; Q204-Q290 PolarHBondContact O-N 2.95Å; W206-Q290 PolarHBondContact N-O 2.84Å
291A72.6Confident75.4Confident5 Ų558.8 Ų58.84%0.04131%0.306CS..EExtended strand (participates in β ladder)trans-106.8164.8164.100000109.9W206 D293 G294 V296W206-A291 HydrophobicContact CE3-CB 4.31Å; A291-D293 PolarHBondContact O-N 2.99Å; A291-G294 WeakPolarHBondContact CB-O 3.42Å; A291-G294 PolarHBondContact N-O 3.4Å; A291-V296 HydrophobicContact CB-CG2 3.9Å
292P65.4Low76.2Confident125 Ų12555.1 Ų55.181%0.81229%0.287SS*.THydrogen-bonded Turntrans-56.7-35.4-177.2-27.936.6000114.4
293D72.1Confident76.9Confident100 Ų10050.4 Ų50.454%0.53527%0.265SS..THydrogen-bonded Turntrans-128.829.8-173.712.2-111.4000111.6K256 L258 V259 A291K256-D293 IonicContact NZ-OD2 2.64Å; K256-D293 PolarHBondContact NZ-OD2 3.17Å; L258-D293 WeakPolarHBondContact CA-O 3.05Å; L258-D293 WeakPolarHBondContact CD2-O 3.44Å; V259-D293 PolarHBondContact N-O 2.84Å; A291-D293 PolarHBondContact O-N 2.99Å
294G76.3Confident77.2Confident1 Ų153.7 Ų53.71%0.0128%0.277CS..EExtended strand (participates in β ladder)trans168.4-177.7174.800000117.1V257 A291V257-G294 CarbonylContact O-C 3.4Å; V257-G294 WeakPolarHBondContact O-CA 3.39Å; A291-G294 WeakPolarHBondContact CB-O 3.42Å; A291-G294 PolarHBondContact N-O 3.4Å
295L80.3Confident77Confident10 Ų1051.3 Ų51.35%0.05227%0.269CS..EExtended strand (participates in β ladder)trans-105.6137.4178.9-61.9174.6000110V257 V259 A261 F288V257-L295 PolarHBondContact N-O 3.4Å; V257-L295 PolarHBondContact O-N 2.99Å; V259-L295 HydrophobicContact CG1-CD1 4.03Å; V259-L295 HydrophobicContact CG1-CG 4.11Å; A261-L295 HydrophobicContact CB-CD1 4.37Å; F288-L295 HydrophobicContact CB-CB 4.19Å; F288-L295 HydrophobicContact CB-CD2 4.07Å; F288-L295 HydrophobicContact CD1-CB 3.68Å; F288-L295 HydrophobicContact CD2-CB 4.43Å; F288-L295 HydrophobicContact CD2-CD1 3.97Å; F288-L295 HydrophobicContact CE1-CB 4.03Å; F288-L295 HydrophobicContact CE2-CD1 4.07Å; F288-L295 HydrophobicContact CG-CB 3.89Å; F288-L295 HydrophobicContact CG-CD1 4.25Å; F288-L295 HydrophobicContact CG-CD2 4.41Å; F288-L295 HydrophobicContact CG-CG 4.42Å; F288-L295 HydrophobicContact CZ-CD1 4.44Å
296V81.3Confident77.2Confident0 Ų052.5 Ų52.50%027%0.269CS..EExtended strand (participates in β ladder)trans-119130.4-175.4-178.10000111.6W206 A254 V255 K256 L289 A291W206-V296 HydrophobicContact CD2-CB 4.38Å; W206-V296 HydrophobicContact CD2-CG1 4.09Å; W206-V296 HydrophobicContact CD2-CG2 4.23Å; W206-V296 HydrophobicContact CE3-CB 4.4Å; W206-V296 HydrophobicContact CE3-CG1 4.33Å; W206-V296 HydrophobicContact CE3-CG2 3.75Å; W206-V296 HydrophobicContact CH2-CG1 4.25Å; W206-V296 HydrophobicContact CH2-CG2 4.46Å; W206-V296 HydrophobicContact CZ2-CG1 4.03Å; W206-V296 HydrophobicContact CZ3-CG1 4.4Å; W206-V296 HydrophobicContact CZ3-CG2 3.88Å; A254-V296 HydrophobicContact CB-CG1 4.44Å; V255-V296 WeakPolarHBondContact O-CA 3.02Å; K256-V296 HydrophobicContact CB-CG2 4Å; K256-V296 HydrophobicContact CG-CG2 3.91Å; L289-V296 HydrophobicContact CB-CB 4.46Å; L289-V296 PolarHBondContact N-O 3.42Å; L289-V296 PolarHBondContact O-N 2.87Å; A291-V296 HydrophobicContact CB-CG2 3.9Å
297V85.6Confident77.4Confident2 Ų251.5 Ų51.51%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-95.8110.8162.9-170.80000107.6V255 L267 F288 L301 L302 L328V255-V297 PolarHBondContact N-O 3.46Å; V255-V297 PolarHBondContact O-N 3.36Å; L267-V297 HydrophobicContact CD2-CG2 4.04Å; F288-V297 HydrophobicContact CD1-CG2 3.98Å; F288-V297 HydrophobicContact CE1-CG2 3.63Å; V297-L301 HydrophobicContact CG1-CB 4.33Å; V297-L302 HydrophobicContact CG1-CD1 4.14Å; V297-L302 HydrophobicContact CG1-CD2 3.92Å; V297-L302 HydrophobicContact CG1-CG 3.96Å; V297-L328 HydrophobicContact CG2-CD1 4.26Å
298P81Confident78Confident16 Ų1646.9 Ų46.910%0.10425%0.247CC..  trans-72.8154.2-178.129.9-36.5000112.6L289 R300 L301L289-P298 HydrophobicContact CD1-CB 4.1Å; L289-P298 HydrophobicContact CD1-CG 3.89Å; L289-P298 HydrophobicContact CG-CG 4.41Å; P298-R300 PolarHBondContact O-N 3.43Å; P298-R300 VanDerWaalsContact O-N 3.08Å; P298-L301 HydrophobicContact CG-CD1 3.93Å; P298-L301 HydrophobicContact CG-CG 4.03Å; P298-L301 PolarHBondContact O-N 3.12Å
299D78.1Confident78.4Confident33 Ų3346.6 Ų46.618%0.17625%0.246CC..G310 helixtrans-35.3-49.1170.650.5-56.9000113.7K209 Q212 L301 L302K209-D299 IonicContact NZ-OD1 3.26Å; K209-D299 PolarHBondContact NZ-OD1 3.04Å; K209-D299 IonicContact NZ-OD2 2.94Å; K209-D299 PolarHBondContact NZ-OD2 3.45Å; Q212-D299 PolarHBondContact NE2-OD1 2.91Å; D299-L301 PolarHBondContact O-N 2.03Å; D299-L301 VanDerWaalsContact O-N 3.11Å; D299-L302 PolarHBondContact O-N 3.46Å
300R79.3Confident78.5Confident210 Ų21044.7 Ų44.779%0.79224%0.236SC*.G310 helixtrans-68.5-9.5-174.9-64.1-178.5172.5-177.9-6.4115.5P298P298-R300 PolarHBondContact O-N 3.43Å; P298-R300 VanDerWaalsContact O-N 3.08Å
301L76.5Confident78.6Confident58 Ų5842.7 Ų42.730%0.30423%0.226SC..G310 helixtrans-104.55.4175.8-60.4-178.6000112.4I286 V297 P298 D299 P303I286-L301 HydrophobicContact CB-CD1 4.3Å; I286-L301 HydrophobicContact CD1-CD1 4Å; V297-L301 HydrophobicContact CG1-CB 4.33Å; P298-L301 HydrophobicContact CG-CD1 3.93Å; P298-L301 HydrophobicContact CG-CG 4.03Å; P298-L301 PolarHBondContact O-N 3.12Å; D299-L301 PolarHBondContact O-N 2.03Å; D299-L301 VanDerWaalsContact O-N 3.11Å; L301-P303 VanDerWaalsContact C-CD 3.45Å; L301-P303 WeakPolarHBondContact O-CD 3.31Å
302L80.8Confident78.1Confident10 Ų1042.5 Ų42.55%0.05223%0.225CC..  trans-122.269.9-176.1-63176.3000110.7V255 V297 D299 N307 F309 L330 V332V255-L302 HydrophobicContact CG2-CD1 3.88Å; V297-L302 HydrophobicContact CG1-CD1 4.14Å; V297-L302 HydrophobicContact CG1-CD2 3.92Å; V297-L302 HydrophobicContact CG1-CG 3.96Å; D299-L302 PolarHBondContact O-N 3.46Å; L302-N307 HydrophobicContact CD2-CB 4.5Å; L302-F309 HydrophobicContact CD2-CE2 3.71Å; L302-F309 HydrophobicContact CD2-CZ 3.79Å; L302-L330 HydrophobicContact CD1-CD1 4.38Å; L302-L330 HydrophobicContact CD2-CB 4.24Å; L302-L330 HydrophobicContact CD2-CD1 3.6Å; L302-V332 HydrophobicContact CB-CG2 3.94Å
303P78.4Confident78.1Confident60 Ų6039.1 Ų39.139%0.3920%0.202SC..  trans-67.6160172.331.8-36.9000111.4R269 L301 N307 V332R269-P303 VanDerWaalsContact NH2-CG 3.33Å; L301-P303 VanDerWaalsContact C-CD 3.45Å; L301-P303 WeakPolarHBondContact O-CD 3.31Å; P303-N307 WeakPolarHBondContact CD-OD1 3.37Å; P303-N307 PolarHBondContact O-ND2 3.39Å; P303-V332 WeakPolarHBondContact O-CB 3.35Å
304L75.8Confident77.9Confident90 Ų9034.6 Ų34.647%0.47118%0.178SC..SBendtrans-48.8142.3176.2-66.5174.4000113.5E251 V332 A334E251-L304 HydrophobicContact CB-CD2 4.16Å; E251-L304 HydrophobicContact CG-CD2 4.17Å; L304-V332 HydrophobicContact CD2-CG1 4.25Å; L304-A334 HydrophobicContact CD1-CB 4.11Å; L304-A334 HydrophobicContact CD2-CB 3.79Å; L304-A334 VanDerWaalsContact CD2-N 3.33Å
305G75.4Confident77.5Confident34 Ų3439.1 Ų39.135%0.35119%0.194SC..EExtended strand (participates in β ladder)trans99.5-168.9-176.400000113.9N307 V332G305-N307 PolarHBondContact O-ND2 2.72Å; G305-N307 VanDerWaalsContact O-ND2 3.08Å; G305-V332 PolarHBondContact N-O 3.38Å; G305-V332 PolarHBondContact O-N 2.82Å
306Q81.6Confident76.7Confident100 Ų10040.1 Ų40.147%0.46720%0.2SC..EExtended strand (participates in β ladder)trans-79.9134.7178.6-65.7-157.272.300111.8Y308 N329 T331Q306-Y308 HydrophobicContact CB-CE2 4.14Å; Q306-Y308 PolarHBondContact OE1-OH 3.29Å; Q306-N329 PolarHBondContact OE1-ND2 3.03Å; Q306-T331 HydrophobicContact CG-CG2 4.24Å
307N84.1Confident75.7Confident4 Ų445.8 Ų45.82%0.02123%0.231CC..EExtended strand (participates in β ladder)trans-129113.1-178.9-67.8-88000111R269 L302 P303 G305 F309 L330R269-N307 PolarHBondContact NH2-OD1 3.15Å; L302-N307 HydrophobicContact CD2-CB 4.5Å; P303-N307 WeakPolarHBondContact CD-OD1 3.37Å; P303-N307 PolarHBondContact O-ND2 3.39Å; G305-N307 PolarHBondContact O-ND2 2.72Å; G305-N307 VanDerWaalsContact O-ND2 3.08Å; N307-F309 HydrophobicContact CB-CD2 4.5Å; N307-F309 HydrophobicContact CB-CE2 3.53Å; N307-F309 HydrophobicContact CB-CZ 3.82Å; N307-L330 HydrophobicContact CB-CB 4.48Å; N307-L330 WeakPolarHBondContact CB-O 3.49Å; N307-L330 PolarHBondContact N-O 2.65Å; N307-L330 PolarHBondContact O-N 3.24Å
308Y85.9Confident74.3Confident21 Ų2147.4 Ų47.48%0.08225%0.245CC..EExtended strand (participates in β ladder)trans-100.1130.9-177.8-54.2-77000111.9R269 V270 E272 F275 Q306 N329R269-Y308 WeakPolarHBondContact CA-O 3.42Å; V270-Y308 PolarHBondContact N-O 3.39Å; E272-Y308 HydrophobicContact CB-CD2 4.09Å; E272-Y308 HydrophobicContact CB-CE2 3.49Å; E272-Y308 VanDerWaalsContact CB-CE2 3.49Å; E272-Y308 HydrophobicContact CG-CE1 4.32Å; E272-Y308 HydrophobicContact CG-CE2 3.85Å; E272-Y308 WeakPolarHBondContact CG-OH 3.24Å; E272-Y308 PolarHBondContact OE2-OH 2.81Å; F275-Y308 HydrophobicContact CB-CD1 3.97Å; F275-Y308 HydrophobicContact CB-CG 3.97Å; F275-Y308 AromaticContact CD1-CD1 3.68Å; F275-Y308 HydrophobicContact CD1-CD1 3.68Å; F275-Y308 HydrophobicContact CD1-CE1 4.22Å; F275-Y308 HydrophobicContact CD2-CD1 4.15Å; F275-Y308 HydrophobicContact CD2-CG 4.45Å; F275-Y308 HydrophobicContact CE1-CD1 4.16Å; F275-Y308 AromaticContact CG-CD1 3.67Å; F275-Y308 HydrophobicContact CG-CD1 3.67Å; F275-Y308 HydrophobicContact CG-CG 4.09Å; Q306-Y308 HydrophobicContact CB-CE2 4.14Å; Q306-Y308 PolarHBondContact OE1-OH 3.29Å; Y308-N329 HydrophobicContact CD1-CB 4.05Å; Y308-N329 HydrophobicContact CE1-CB 4.22Å; Y308-N329 VanDerWaalsContact CE1-CG 3.43Å; Y308-N329 WeakPolarHBondContact CE1-ND2 3.21Å; Y308-N329 WeakPolarHBondContact CE1-OD1 3.46Å
309F85.7Confident73.2Confident0 Ų051.3 Ų51.30%027%0.27CS..EExtended strand (participates in β ladder)trans-135.1141.6177.5-47.3-91.7000112.9L267 W268 R269 I286 L302 N307 L328 L330L267-F309 HydrophobicContact CD1-CB 3.81Å; L267-F309 HydrophobicContact CD2-CB 4.33Å; L267-F309 HydrophobicContact CD2-CD1 4.22Å; L267-F309 HydrophobicContact CD2-CG 4.4Å; L267-F309 HydrophobicContact CG-CB 4.15Å; L267-F309 HydrophobicContact CG-CD1 4.4Å; W268-F309 CarbonylContact O-C 3.4Å; W268-F309 WeakPolarHBondContact O-CA 3.47Å; R269-F309 HydrophobicContact CB-CD1 3.63Å; R269-F309 HydrophobicContact CB-CE1 3.68Å; R269-F309 HydrophobicContact CG-CD1 3.84Å; R269-F309 HydrophobicContact CG-CE1 3.55Å; R269-F309 HydrophobicContact CG-CZ 4.33Å; I286-F309 HydrophobicContact CD1-CD1 3.68Å; I286-F309 HydrophobicContact CD1-CE1 3.52Å; L302-F309 HydrophobicContact CD2-CE2 3.71Å; L302-F309 HydrophobicContact CD2-CZ 3.79Å; N307-F309 HydrophobicContact CB-CD2 4.5Å; N307-F309 HydrophobicContact CB-CE2 3.53Å; N307-F309 HydrophobicContact CB-CZ 3.82Å; F309-L328 HydrophobicContact CB-CB 4.28Å; F309-L328 HydrophobicContact CD2-CB 4.3Å; F309-L328 PolarHBondContact N-O 2.96Å; F309-L328 PolarHBondContact O-N 3.18Å; F309-L330 HydrophobicContact CD2-CD1 4.24Å; F309-L330 HydrophobicContact CE2-CD1 3.98Å; F309-L330 HydrophobicContact CE2-CG 4.47Å
310L79.8Confident72.2Confident2 Ų256 Ų561%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-120.6133.6176-60.4179.8000110.4W268 V270 F275 I280 R327W268-L310 PolarHBondContact N-O 3.09Å; W268-L310 PolarHBondContact O-N 2.8Å; V270-L310 HydrophobicContact CG1-CD1 4.05Å; V270-L310 HydrophobicContact CG1-CG 4.32Å; V270-L310 HydrophobicContact CG2-CD1 4.08Å; V270-L310 HydrophobicContact CG2-CG 3.86Å; F275-L310 HydrophobicContact CD2-CD2 3.64Å; F275-L310 HydrophobicContact CD2-CG 4.33Å; F275-L310 HydrophobicContact CE2-CD2 4.07Å; F275-L310 HydrophobicContact CG-CD2 4.49Å; I280-L310 HydrophobicContact CG2-CD1 4.32Å; L310-R327 HydrophobicContact CD2-CB 4.29Å; L310-R327 HydrophobicContact CD2-CG 3.66Å
311K75.4Confident71.3Confident16 Ų1647 Ų477%0.0727%0.27CS..EExtended strand (participates in β ladder)trans-124.2103.7173.8169.958.5173.7163.50108.3A264 V266 L267 F288 V313 I314 T325 L326A264-K311 PolarHBondContact O-NZ 3.22Å; V266-K311 WeakPolarHBondContact O-CD 3.06Å; V266-K311 WeakPolarHBondContact O-CE 3.43Å; V266-K311 PolarHBondContact O-NZ 2.98Å; L267-K311 HydrophobicContact CD1-CB 3.9Å; F288-K311 HydrophobicContact CE2-CB 4.24Å; F288-K311 HydrophobicContact CE2-CD 4.06Å; F288-K311 HydrophobicContact CE2-CG 4.02Å; K311-V313 WeakPolarHBondContact CE-O 3.4Å; K311-V313 PolarHBondContact NZ-O 2.7Å; K311-V313 PolarHBondContact O-N 3.11Å; K311-I314 HydrophobicContact CD-CG1 4.39Å; K311-I314 HydrophobicContact CG-CD1 3.81Å; K311-I314 HydrophobicContact CG-CG1 3.62Å; K311-T325 CarbonylContact O-C 3.55Å; K311-T325 WeakPolarHBondContact O-CA 3.38Å; K311-T325 WeakPolarHBondContact O-CG2 3.05Å; K311-L326 HydrophobicContact CB-CB 4.03Å; K311-L326 HydrophobicContact CG-CB 4.33Å; K311-L326 PolarHBondContact N-O 2.98Å; K311-L326 PolarHBondContact O-N 3.3Å
312G61.6Low70.6Confident1 Ų148.2 Ų48.21%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-61.5-47.7-166.800000115.3H229 T325H229-G312 WeakPolarHBondContact CD2-CA 3.4Å; H229-G312 WeakPolarHBondContact NE2-CA 3.44Å; G312-T325 VanDerWaalsContact O-CA 3.3Å; G312-T325 WeakPolarHBondContact O-CA 3.12Å; G312-T325 WeakPolarHBondContact O-CB 3.46Å; G312-T325 PolarHBondContact O-OG1 2.91Å
313V65.3Low69.9Low53 Ų5350.6 Ų50.632%0.32129%0.293SS..EExtended strand (participates in β ladder)trans-134.8129.8-177.7168.20000110.9K311 E323K311-V313 WeakPolarHBondContact CE-O 3.4Å; K311-V313 PolarHBondContact NZ-O 2.7Å; K311-V313 PolarHBondContact O-N 3.11Å; V313-E323 HydrophobicContact CG1-CB 3.92Å; V313-E323 VanDerWaalsContact CG1-CD 3.43Å; V313-E323 HydrophobicContact CG1-CG 3.8Å; V313-E323 WeakPolarHBondContact CG1-OE1 3.46Å; V313-E323 HydrophobicContact CG2-CB 4.29Å
314I68.7Low69.7Low6 Ų648.3 Ų48.33%0.03128%0.278CS..EExtended strand (participates in β ladder)trans-126.8131.6162.6-55.4-179.6000107.1W219 V259 A261 K311 V316 V324 L326W219-I314 HydrophobicContact CH2-CD1 4.18Å; W219-I314 HydrophobicContact CZ3-CD1 3.87Å; V259-I314 HydrophobicContact CG2-CG2 4.5Å; A261-I314 HydrophobicContact CB-CG2 3.69Å; K311-I314 HydrophobicContact CD-CG1 4.39Å; K311-I314 HydrophobicContact CG-CD1 3.81Å; K311-I314 HydrophobicContact CG-CG1 3.62Å; I314-V316 HydrophobicContact CG2-CG2 4.1Å; I314-V324 PolarHBondContact N-O 2.99Å; I314-V324 PolarHBondContact O-N 3.37Å; I314-L326 HydrophobicContact CD1-CB 3.73Å; I314-L326 HydrophobicContact CD1-CD2 3.9Å; I314-L326 HydrophobicContact CD1-CG 4.47Å
315R67.3Low69.7Low96 Ų9644.1 Ų44.136%0.36226%0.256SS..EExtended strand (participates in β ladder)trans-101.3128.9164.2-66.1-176.9-171-164.61.1108.8A261 S262 P319 E323A261-R315 WeakPolarHBondContact CA-O 3.34Å; S262-R315 PolarHBondContact N-O 3.32Å; R315-P319 PolarHBondContact NH1-O 2.03Å; R315-E323 HydrophobicContact CG-CG 3.97Å; R315-E323 IonicContact CZ-OE1 2.74Å; R315-E323 IonicContact NE-OE1 2.69Å; R315-E323 PolarHBondContact NE-OE1 3.43Å; R315-E323 IonicContact NH2-OE1 2.64Å; R315-E323 PolarHBondContact NH2-OE1 2.92Å
316V63.4Low69.9Low30 Ų3042.6 Ų42.618%0.18224%0.239CC..EExtended strand (participates in β ladder)trans-105.6133.2-174.2-172.80000109.8W219 V259 N260 I314 A318 A321W219-V316 HydrophobicContact CZ2-CG2 4.07Å; V259-V316 HydrophobicContact CG2-CG1 4.49Å; V259-V316 HydrophobicContact CG2-CG2 4.24Å; N260-V316 WeakPolarHBondContact O-CA 3.49Å; I314-V316 HydrophobicContact CG2-CG2 4.1Å; V316-A318 PolarHBondContact O-N 2.69Å; V316-A321 WeakPolarHBondContact O-CB 3.42Å
317D59.6Low70Confident120 Ų12039.3 Ų39.364%0.64222%0.223SC*.SBendtrans60.1-28175.6-63.5-45.5000119.2N260N260-D317 WeakPolarHBondContact CB-OD1 3.41Å; N260-D317 PolarHBondContact ND2-OD1 2.81Å; N260-D317 PolarHBondContact O-N 2.83Å
318A57.9Low70Confident36 Ų3639.2 Ų39.230%0.29822%0.222SC..SBendtrans-145.2149.9-178.200000113.9V316 T320 A321V316-A318 PolarHBondContact O-N 2.69Å; A318-T320 PolarHBondContact O-N 2.99Å; A318-T320 VanDerWaalsContact O-N 3.11Å; A318-A321 HydrophobicContact CB-CB 4.32Å; A318-A321 WeakPolarHBondContact O-CB 3.36Å; A318-A321 PolarHBondContact O-N 3.32Å; A318-A321 VanDerWaalsContact O-N 3.08Å
319P57.9Low70.1Confident98 Ų9839.2 Ų39.264%0.63622%0.223SC*.THydrogen-bonded Turntrans-65.6-15.4178.527.1-35.5000114R315R315-P319 PolarHBondContact NH1-O 2.03Å
320T55.6Low70.1Confident131 Ų13139.2 Ų39.280%0.80422%0.223SC*.THydrogen-bonded Turntrans-107.614176.957.10000113.2A318A318-T320 PolarHBondContact O-N 2.99Å; A318-T320 VanDerWaalsContact O-N 3.11Å
321A60.4Low70.2Confident20 Ų2040.6 Ų40.617%0.16523%0.232CC..SBendtrans-75.1158.2178.600000112.8V316 A318V316-A321 WeakPolarHBondContact O-CB 3.42Å; A318-A321 HydrophobicContact CB-CB 4.32Å; A318-A321 WeakPolarHBondContact O-CB 3.36Å; A318-A321 PolarHBondContact O-N 3.32Å; A318-A321 VanDerWaalsContact O-N 3.08Å
322P61.7Low70.5Confident85 Ų8540.1 Ų40.155%0.55223%0.23SC*.  trans-55.7150.7172.721.8-33.6000113.1
323E67.4Low70.9Confident60 Ų6043 Ų4328%0.2824%0.243SC..EExtended strand (participates in β ladder)trans-97.4113.8-179.4-65.2-162.3149.100110.7S240 V313 R315S240-E323 VanDerWaalsContact CB-O 3.31Å; S240-E323 WeakPolarHBondContact CB-O 3.39Å; S240-E323 PolarHBondContact N-O 2.91Å; S240-E323 PolarHBondContact OG-N 3.45Å; S240-E323 VanDerWaalsContact OG-N 3.08Å; V313-E323 HydrophobicContact CG1-CB 3.92Å; V313-E323 VanDerWaalsContact CG1-CD 3.43Å; V313-E323 HydrophobicContact CG1-CG 3.8Å; V313-E323 WeakPolarHBondContact CG1-OE1 3.46Å; V313-E323 HydrophobicContact CG2-CB 4.29Å; R315-E323 HydrophobicContact CG-CG 3.97Å; R315-E323 IonicContact CZ-OE1 2.74Å; R315-E323 IonicContact NE-OE1 2.69Å; R315-E323 PolarHBondContact NE-OE1 3.43Å; R315-E323 IonicContact NH2-OE1 2.64Å; R315-E323 PolarHBondContact NH2-OE1 2.92Å
324V72.8Confident70.7Confident12 Ų1242.5 Ų42.57%0.07324%0.244CC..EExtended strand (participates in β ladder)trans-107.8132.5-176.7-178.10000110.7W219 V224 G241 L243 I314W219-V324 HydrophobicContact CH2-CB 4.21Å; W219-V324 HydrophobicContact CH2-CG1 3.83Å; W219-V324 HydrophobicContact CZ2-CB 4.25Å; W219-V324 HydrophobicContact CZ2-CG1 3.93Å; V224-V324 HydrophobicContact CG1-CG1 4.12Å; V224-V324 HydrophobicContact CG1-CG2 4.44Å; V224-V324 HydrophobicContact CG2-CG1 4.3Å; G241-V324 WeakPolarHBondContact O-CA 3.13Å; L243-V324 HydrophobicContact CB-CG1 4.44Å; I314-V324 PolarHBondContact N-O 2.99Å; I314-V324 PolarHBondContact O-N 3.37Å
325T76.1Confident70.3Confident2 Ų245.2 Ų45.21%0.01226%0.263CS..EExtended strand (participates in β ladder)trans-84.6129.6171.9-54.80000110T239 G241 T242 L243 K311 G312T239-T325 PolarHBondContact OG1-OG1 3.08Å; T239-T325 VanDerWaalsContact OG1-OG1 3.13Å; G241-T325 PolarHBondContact O-N 3.22Å; T242-T325 CarbonylContact C-O 3.19Å; T242-T325 VanDerWaalsContact CA-O 3.26Å; T242-T325 WeakPolarHBondContact CA-O 3.47Å; T242-T325 HydrophobicContact CG2-CG2 4.45Å; L243-T325 PolarHBondContact N-O 3.13Å; K311-T325 CarbonylContact O-C 3.55Å; K311-T325 WeakPolarHBondContact O-CA 3.38Å; K311-T325 WeakPolarHBondContact O-CG2 3.05Å; G312-T325 VanDerWaalsContact O-CA 3.3Å; G312-T325 WeakPolarHBondContact O-CA 3.12Å; G312-T325 WeakPolarHBondContact O-CB 3.46Å; G312-T325 PolarHBondContact O-OG1 2.91Å
326L79.2Confident69.9Low1 Ų144.6 Ų44.61%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-106.4127.9175.7171.269000110.4W219 L243 L245 F288 K311 I314 L328W219-L326 HydrophobicContact CZ3-CB 4.47Å; W219-L326 HydrophobicContact CZ3-CD1 4.31Å; W219-L326 HydrophobicContact CZ3-CD2 4.44Å; L243-L326 HydrophobicContact CB-CD1 4.29Å; L243-L326 HydrophobicContact CD2-CD1 4.12Å; L243-L326 HydrophobicContact CG-CD1 4.17Å; L245-L326 HydrophobicContact CD1-CD1 4.07Å; L245-L326 HydrophobicContact CG-CD1 4.42Å; F288-L326 HydrophobicContact CZ-CD2 4.28Å; K311-L326 HydrophobicContact CB-CB 4.03Å; K311-L326 HydrophobicContact CG-CB 4.33Å; K311-L326 PolarHBondContact N-O 2.98Å; K311-L326 PolarHBondContact O-N 3.3Å; I314-L326 HydrophobicContact CD1-CB 3.73Å; I314-L326 HydrophobicContact CD1-CD2 3.9Å; I314-L326 HydrophobicContact CD1-CG 4.47Å; L326-L328 HydrophobicContact CD1-CD2 3.86Å; L326-L328 HydrophobicContact CD2-CD2 4.23Å; L326-L328 HydrophobicContact CD2-CG 4.46Å; L326-L328 HydrophobicContact CG-CD2 4.04Å; L326-L328 HydrophobicContact CG-CG 4.27Å
327R84.1Confident69.8Low31 Ų3144.4 Ų44.412%0.11727%0.274CS..EExtended strand (participates in β ladder)trans-116.1123177.9-63.7-175.251.2166.3-18.7109.3T242 L243 T244 L245 F275 L276 S278 L310T242-R327 HydrophobicContact CG2-CG 3.82Å; L243-R327 PolarHBondContact O-N 2.89Å; T244-R327 WeakPolarHBondContact CA-O 3.28Å; T244-R327 HydrophobicContact CG2-CB 4.03Å; L245-R327 PolarHBondContact N-O 3.46Å; F275-R327 HydrophobicContact CE2-CB 3.73Å; F275-R327 HydrophobicContact CE2-CG 4.49Å; F275-R327 HydrophobicContact CZ-CB 3.91Å; F275-R327 PolarHBondContact O-NH1 2.04Å; F275-R327 VanDerWaalsContact O-NH1 3.14Å; F275-R327 PolarHBondContact O-NH2 3.31Å; L276-R327 PolarHBondContact O-NH1 3.28Å; S278-R327 PolarHBondContact OG-NH1 3.33Å; L310-R327 HydrophobicContact CD2-CB 4.29Å; L310-R327 HydrophobicContact CD2-CG 3.66Å
328L85.1Confident69.7Low2 Ų244.1 Ų44.11%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-116.1126177.5-54.8177.5000110.2L245 F275 F288 V297 F309 L326 L330L245-L328 HydrophobicContact CB-CD2 4Å; L245-L328 HydrophobicContact CD1-CD2 3.95Å; L245-L328 HydrophobicContact CG-CD2 4.4Å; L245-L328 CarbonylContact O-C 3.4Å; L245-L328 WeakPolarHBondContact O-CA 3.44Å; F275-L328 VanDerWaalsContact CE2-O 3.31Å; F275-L328 WeakPolarHBondContact CE2-O 3.35Å; F288-L328 HydrophobicContact CZ-CD1 4.47Å; V297-L328 HydrophobicContact CG2-CD1 4.26Å; F309-L328 HydrophobicContact CB-CB 4.28Å; F309-L328 HydrophobicContact CD2-CB 4.3Å; F309-L328 PolarHBondContact N-O 2.96Å; F309-L328 PolarHBondContact O-N 3.18Å; L326-L328 HydrophobicContact CD1-CD2 3.86Å; L326-L328 HydrophobicContact CD2-CD2 4.23Å; L326-L328 HydrophobicContact CD2-CG 4.46Å; L326-L328 HydrophobicContact CG-CD2 4.04Å; L326-L328 HydrophobicContact CG-CG 4.27Å; L328-L330 HydrophobicContact CB-CG 4.33Å
329N87.4Confident69.3Low21 Ų2150.6 Ų50.611%0.11230%0.3CS..EExtended strand (participates in β ladder)trans-111.3118.9159.8-176.513.3000108.7L245 S246 L247 F275 Q306 Y308L245-N329 PolarHBondContact O-N 2.96Å; S246-N329 WeakPolarHBondContact CA-O 3.42Å; L247-N329 PolarHBondContact N-O 3.43Å; F275-N329 HydrophobicContact CE1-CB 4.3Å; F275-N329 HydrophobicContact CZ-CB 4.09Å; Q306-N329 PolarHBondContact OE1-ND2 3.03Å; Y308-N329 HydrophobicContact CD1-CB 4.05Å; Y308-N329 HydrophobicContact CE1-CB 4.22Å; Y308-N329 VanDerWaalsContact CE1-CG 3.43Å; Y308-N329 WeakPolarHBondContact CE1-ND2 3.21Å; Y308-N329 WeakPolarHBondContact CE1-OD1 3.46Å
330L85.2Confident68.6Low0 Ų052.5 Ų52.50%031%0.312CS..EExtended strand (participates in β ladder)trans-122.7108.9-175.3-58178.7000109.9L247 V249 V255 L302 N307 F309 L328L247-L330 HydrophobicContact CB-CD2 3.88Å; L247-L330 HydrophobicContact CD1-CD2 3.93Å; L247-L330 HydrophobicContact CG-CD2 4.37Å; V249-L330 HydrophobicContact CG2-CB 4.25Å; V249-L330 HydrophobicContact CG2-CD2 4.22Å; V255-L330 HydrophobicContact CG2-CD1 4.25Å; L302-L330 HydrophobicContact CD1-CD1 4.38Å; L302-L330 HydrophobicContact CD2-CB 4.24Å; L302-L330 HydrophobicContact CD2-CD1 3.6Å; N307-L330 HydrophobicContact CB-CB 4.48Å; N307-L330 WeakPolarHBondContact CB-O 3.49Å; N307-L330 PolarHBondContact N-O 2.65Å; N307-L330 PolarHBondContact O-N 3.24Å; F309-L330 HydrophobicContact CD2-CD1 4.24Å; F309-L330 HydrophobicContact CE2-CD1 3.98Å; F309-L330 HydrophobicContact CE2-CG 4.47Å; L328-L330 HydrophobicContact CB-CG 4.33Å
331T82.8Confident68.3Low31 Ų3149.8 Ų49.819%0.1931%0.311CS..EExtended strand (participates in β ladder)trans-92.9110.4179.3-58.40000110L247 V249 Q306L247-T331 PolarHBondContact O-N 3.34Å; V249-T331 PolarHBondContact N-O 3.38Å; Q306-T331 HydrophobicContact CG-CG2 4.24Å
332V80.4Confident67.8Low6 Ų653.1 Ų53.14%0.03633%0.333CS..EExtended strand (participates in β ladder)trans-97.7124.8-174.6-168.40000110.9V249 L302 P303 L304 G305V249-V332 HydrophobicContact CB-CG2 4.38Å; V249-V332 VanDerWaalsContact O-CA 3.24Å; V249-V332 WeakPolarHBondContact O-CA 3.42Å; L302-V332 HydrophobicContact CB-CG2 3.94Å; P303-V332 WeakPolarHBondContact O-CB 3.35Å; L304-V332 HydrophobicContact CD2-CG1 4.25Å; G305-V332 PolarHBondContact N-O 3.38Å; G305-V332 PolarHBondContact O-N 2.82Å
333K69.7Low66.9Low63 Ų6354.9 Ų54.927%0.27435%0.347SS..EExtended strand (participates in β ladder)trans-120.9136.6-176.8-62.7-179.5-177.9172.40111.9E248 V249 E251E248-K333 WeakPolarHBondContact OE1-CE 3.2Å; E248-K333 IonicContact OE1-NZ 3.36Å; E248-K333 PolarHBondContact OE1-NZ 2.63Å; E248-K333 WeakPolarHBondContact OE2-CE 3.41Å; E248-K333 IonicContact OE2-NZ 2.68Å; E248-K333 PolarHBondContact OE2-NZ 3.33Å; V249-K333 PolarHBondContact O-N 3.3Å; E251-K333 PolarHBondContact N-O 2.04Å
334A61.4Low65.8Low41 Ų4160 Ų6034%0.33937%0.369SS..SBendtrans-67-44.6-173.400000113.1E251 L304E251-A334 WeakPolarHBondContact OE2-CA 3.4Å; L304-A334 HydrophobicContact CD1-CB 4.11Å; L304-A334 HydrophobicContact CD2-CB 3.79Å; L304-A334 VanDerWaalsContact CD2-N 3.33Å
335S60.6Low64.6Low63 Ų6363.1 Ų63.144%0.44139%0.391SS..  trans-152161.4172.258.20000111
336S58.6Low63.6Low83 Ų8365.3 Ų65.358%0.5840%0.403SS*.  trans-129.8144.7167.345.70000107.2V338S336-V338 PolarHBondContact O-N 3.38Å
337C61.8Low62.5Low27 Ų2770 Ų7018%0.18243%0.434CS..PPolyproline II helixtrans-55.3133.1168.7-54.20000107.9C355 T357C337-C355 HydrophobicContact CB-CB 3.89Å; C337-C355 WeakPolarHBondContact CB-SG 3.3Å; C337-C355 WeakPolarHBondContact SG-CB 3.42Å; C337-C355 CovalentContact SG-SG 2.04Å; C337-C355 PolarHBondContact SG-SG 3.44Å; C337-T357 HydrophobicContact CB-CG2 4.46Å
338V56.7Low61.6Low113 Ų11372 Ų7269%0.68544%0.444SS*.PPolyproline II helixtrans-73.8139-176.7-179.70000109.5S336S336-V338 PolarHBondContact O-N 3.38Å
339E49.6Very low61Low172 Ų17271.9 Ų71.980%0.80444%0.443SS*.PPolyproline II helixtrans-62.9151.4-177.5-76.7-163.3149.300113.4G341E339-G341 PolarHBondContact O-N 3.25Å
340P44.5Very low60.2Low138 Ų13873.9 Ų73.990%0.89646%0.459SS*.THydrogen-bonded Turntrans-72.5115.1-166.8-1530.8000112.1
341G49.6Very low59.5Low75 Ų7575.1 Ų75.177%0.77347%0.471SS*.THydrogen-bonded Turntrans-176.9-26.7177.700000114.8E339 S343E339-G341 PolarHBondContact O-N 3.25Å; G341-S343 PolarHBondContact O-N 2.86Å
342S48.7Very low59.2Low89 Ų8977 Ų7762%0.62248%0.477SS*.SBendtrans-70.4122.4165.848.40000110.4F344S342-F344 PolarHBondContact O-N 3.13Å
343S44.3Very low59Low123 Ų12377.3 Ų77.386%0.8648%0.482SS*.SBendtrans-77.858.8179.364.30000112.4G341G341-S343 PolarHBondContact O-N 2.86Å
344F42.7Very low59.4Low168 Ų16880.3 Ų80.374%0.73750%0.495SS*.SBendtrans-142.1139.3179.4-132-101.3000109.5S342 D346S342-F344 PolarHBondContact O-N 3.13Å; F344-D346 PolarHBondContact O-N 2.98Å
345S48Very low60Low76 Ų7679.1 Ų79.153%0.53148%0.484SS..  trans-57.6131.9170.6510000109.9P347S345-P347 VanDerWaalsContact O-CD 3.26Å; S345-P347 WeakPolarHBondContact O-CD 3.49Å
346D54.8Low60.5Low48 Ų4878 Ų7826%0.25747%0.474SS..  trans-58.9110.1-171.3-161.2-18.9000110.9F344 Q348 C349 G351 C355F344-D346 PolarHBondContact O-N 2.98Å; D346-Q348 PolarHBondContact O-N 3.35Å; D346-Q348 VanDerWaalsContact O-N 3.1Å; D346-Q348 VanDerWaalsContact OD1-CD 3.29Å; D346-Q348 PolarHBondContact OD1-NE2 3.22Å; D346-C349 PolarHBondContact O-N 3.27Å; D346-C349 VanDerWaalsContact O-N 3.11Å; D346-G351 PolarHBondContact O-N 3.09Å; D346-C355 WeakPolarHBondContact OD2-CB 3.34Å
347P57.1Low60.8Low101 Ų10177.2 Ų77.266%0.65647%0.466SS*.THydrogen-bonded Turntrans-72.5-6.6-168.525.1-27.3000113S345S345-P347 VanDerWaalsContact O-CD 3.26Å; S345-P347 WeakPolarHBondContact O-CD 3.49Å
348Q64.9Low60.7Low71 Ų7179.9 Ų79.933%0.33248%0.476SS..THydrogen-bonded Turntrans-78.2-23.1171.6-68.584.8-95.100113.9D346 F364 F376D346-Q348 PolarHBondContact O-N 3.35Å; D346-Q348 VanDerWaalsContact O-N 3.1Å; D346-Q348 VanDerWaalsContact OD1-CD 3.29Å; D346-Q348 PolarHBondContact OD1-NE2 3.22Å; Q348-F364 HydrophobicContact CB-CE2 3.77Å; Q348-F364 HydrophobicContact CB-CZ 3.79Å; Q348-F364 HydrophobicContact CG-CE1 4.43Å; Q348-F364 HydrophobicContact CG-CE2 4.32Å; Q348-F364 HydrophobicContact CG-CZ 3.87Å; Q348-F376 WeakPolarHBondContact O-CD1 3.27Å
349C73Confident60.6Low0 Ų082.8 Ų82.80%049%0.487CS..THydrogen-bonded Turntrans-119.639.1-175.8-60.70000112.2D346 G351 K352 G353 C366 F376D346-C349 PolarHBondContact O-N 3.27Å; D346-C349 VanDerWaalsContact O-N 3.11Å; C349-G351 PolarHBondContact O-N 2.87Å; C349-K352 PolarHBondContact O-N 2.9Å; C349-G353 WeakPolarHBondContact CB-O 3.14Å; C349-G353 PolarHBondContact O-N 3.03Å; C349-C366 WeakPolarHBondContact CA-SG 3.36Å; C349-C366 HydrophobicContact CB-CB 3.76Å; C349-C366 WeakPolarHBondContact CB-SG 3.47Å; C349-C366 WeakPolarHBondContact SG-CB 3.34Å; C349-C366 CovalentContact SG-SG 2.04Å; C349-C366 PolarHBondContact SG-SG 2.89Å; C349-F376 CarbonylContact C-O 2.99Å; C349-F376 WeakPolarHBondContact CA-O 3.01Å
350S70.3Confident60.7Low64 Ų6479.6 Ų79.645%0.44848%0.483SS..THydrogen-bonded Turntrans53.89.8179.6-51.10000116.1K352 F376S350-K352 PolarHBondContact O-N 2.93Å; S350-F376 VanDerWaalsContact CB-O 3.25Å; S350-F376 WeakPolarHBondContact CB-O 3.15Å; S350-F376 PolarHBondContact N-O 3.25Å; S350-F376 PolarHBondContact OG-O 2.94Å
351G70.4Confident61.1Low25 Ų2577.7 Ų77.726%0.25846%0.463SS..THydrogen-bonded Turntrans62.420.4-164.500000114.5D346 C349D346-G351 PolarHBondContact O-N 3.09Å; C349-G351 PolarHBondContact O-N 2.87Å
352K76Confident61.3Low70 Ų7078.5 Ų78.530%0.30446%0.457SS..THydrogen-bonded Turntrans-129.517.2-176.6-68.9-58.4-173.1170.10114C349 S350 E369 Y372 C377C349-K352 PolarHBondContact O-N 2.9Å; S350-K352 PolarHBondContact O-N 2.93Å; K352-E369 IonicContact NZ-OE2 3.66Å; K352-E369 PolarHBondContact O-N 3.2Å; K352-Y372 HydrophobicContact CB-CD1 4.02Å; K352-Y372 HydrophobicContact CB-CD2 4.37Å; K352-Y372 HydrophobicContact CB-CE1 4.3Å; K352-Y372 HydrophobicContact CB-CG 4.05Å; K352-Y372 HydrophobicContact CD-CD1 4.46Å; K352-Y372 HydrophobicContact CD-CD2 4.17Å; K352-Y372 HydrophobicContact CD-CE1 4.01Å; K352-Y372 HydrophobicContact CD-CE2 3.69Å; K352-Y372 VanDerWaalsContact CE-OH 3.23Å; K352-Y372 WeakPolarHBondContact CE-OH 3.48Å; K352-Y372 HydrophobicContact CG-CD1 4.06Å; K352-Y372 HydrophobicContact CG-CE1 3.82Å; K352-Y372 HydrophobicContact CG-CE2 4.33Å; K352-Y372 HydrophobicContact CG-CG 4.41Å; K352-Y372 PolarHBondContact NZ-OH 3.21Å; K352-C377 HydrophobicContact CB-CB 4.04Å; K352-C377 WeakPolarHBondContact CB-O 3.45Å; K352-C377 WeakPolarHBondContact O-CB 3.27Å
353G75.4Confident61.7Low14 Ų1478 Ų7814%0.14445%0.45CS..EExtended strand (participates in β ladder)trans-167177.317300000111C349 E367C349-G353 WeakPolarHBondContact CB-O 3.14Å; C349-G353 PolarHBondContact O-N 3.03Å; G353-E367 CarbonylContact C-O 3.6Å; G353-E367 WeakPolarHBondContact CA-O 3.09Å
354K79.2Confident62.7Low125 Ų12574.8 Ų74.854%0.54342%0.421SS..EExtended strand (participates in β ladder)trans-114125.8-172.5168.5178.9153.5-127.60109.9V356 E367K354-V356 HydrophobicContact CG-CG2 4.4Å; K354-E367 HydrophobicContact CB-CB 4.41Å; K354-E367 PolarHBondContact N-O 2.83Å; K354-E367 IonicContact NZ-OE2 3.11Å; K354-E367 PolarHBondContact NZ-OE2 2.96Å; K354-E367 PolarHBondContact O-N 3.12Å
355C73.6Confident64.1Low17 Ų1770.8 Ų70.812%0.11540%0.403CS..EExtended strand (participates in β ladder)trans-68130.6175.4-172.70000110.4C337 D346C337-C355 HydrophobicContact CB-CB 3.89Å; C337-C355 WeakPolarHBondContact CB-SG 3.3Å; C337-C355 WeakPolarHBondContact SG-CB 3.42Å; C337-C355 CovalentContact SG-SG 2.04Å; C337-C355 PolarHBondContact SG-SG 3.44Å; D346-C355 WeakPolarHBondContact OD2-CB 3.34Å
356V71.2Confident65.6Low38 Ų3868 Ų6823%0.2338%0.383CS..EExtended strand (participates in β ladder)trans-131.5124.5175.9-176.50000109.7K354 F364 F365 E367K354-V356 HydrophobicContact CG-CG2 4.4Å; V356-F364 WeakPolarHBondContact O-CA 3Å; V356-F365 HydrophobicContact CB-CD1 4.05Å; V356-F365 HydrophobicContact CB-CE1 3.57Å; V356-F365 HydrophobicContact CB-CE2 4.2Å; V356-F365 HydrophobicContact CB-CZ 3.66Å; V356-F365 HydrophobicContact CG1-CD1 4.34Å; V356-F365 HydrophobicContact CG1-CE1 3.5Å; V356-F365 VanDerWaalsContact CG1-CE1 3.5Å; V356-F365 HydrophobicContact CG1-CZ 3.7Å; V356-F365 HydrophobicContact CG2-CE2 4.44Å; V356-F365 HydrophobicContact CG2-CZ 4.17Å; V356-F365 PolarHBondContact N-O 3.38Å; V356-F365 WeakPolarHBondContact O-CD1 3.31Å; V356-F365 PolarHBondContact O-N 2.81Å; V356-E367 HydrophobicContact CG2-CB 4.4Å
357T66Low66.8Low68 Ų6870.4 Ų70.442%0.41739%0.393SS..EExtended strand (participates in β ladder)trans-92134.8168.841.50000110.7C337 F364C337-T357 HydrophobicContact CB-CG2 4.46Å; T357-F364 HydrophobicContact CG2-CB 4.27Å
358Q58.6Low68Low83 Ų8367.9 Ų67.939%0.38838%0.377SS..  trans-96148.8168.7-58-164.228.100110.5S360 E361 F365Q358-S360 PolarHBondContact O-N 2.82Å; Q358-E361 HydrophobicContact CB-CB 4.48Å; Q358-E361 HydrophobicContact CB-CG 4.43Å; Q358-F365 HydrophobicContact CG-CD1 4.11Å; Q358-F365 HydrophobicContact CG-CE1 3.8Å
359L53.6Low68.7Low173 Ų17369.5 Ų69.591%0.90639%0.385SS*.THydrogen-bonded Turntrans-72.5-18.3-178.3-78.278.4000113.3
360S52.5Low68.9Low105 Ų10576.5 Ų76.573%0.73442%0.422SS*.THydrogen-bonded Turntrans-100.5-11.6-173.944.30000115.1Q358Q358-S360 PolarHBondContact O-N 2.82Å
361E53.8Low69Low99 Ų9974 Ų7446%0.46341%0.407SS..  trans-115.9153.2-171.9-60.4-167.5151.100111.8Q358 T363Q358-E361 HydrophobicContact CB-CB 4.48Å; Q358-E361 HydrophobicContact CB-CG 4.43Å; E361-T363 PolarHBondContact O-N 2.83Å
362S53.9Low69.3Low92 Ų9276.3 Ų76.364%0.64341%0.408SS*.SBendtrans-86.117178.557.10000113.7
363T55.9Low69.3Low79 Ų7976.1 Ų76.149%0.48541%0.413SS..SBendtrans-143.6162.7-167.439.20000111.6E361E361-T363 PolarHBondContact O-N 2.83Å
364F66.6Low69.1Low55 Ų5576.9 Ų76.924%0.24142%0.421CS..EExtended strand (participates in β ladder)trans-102.3162.3167.367.5-90.3000110.2Q348 V356 T357Q348-F364 HydrophobicContact CB-CE2 3.77Å; Q348-F364 HydrophobicContact CB-CZ 3.79Å; Q348-F364 HydrophobicContact CG-CE1 4.43Å; Q348-F364 HydrophobicContact CG-CE2 4.32Å; Q348-F364 HydrophobicContact CG-CZ 3.87Å; V356-F364 WeakPolarHBondContact O-CA 3Å; T357-F364 HydrophobicContact CG2-CB 4.27Å
365F71.8Confident68.8Low83 Ų8377 Ų7736%0.36443%0.426SS..EExtended strand (participates in β ladder)trans-128.2163.2167.576.3-87000111.1V356 Q358 E367V356-F365 HydrophobicContact CB-CD1 4.05Å; V356-F365 HydrophobicContact CB-CE1 3.57Å; V356-F365 HydrophobicContact CB-CE2 4.2Å; V356-F365 HydrophobicContact CB-CZ 3.66Å; V356-F365 HydrophobicContact CG1-CD1 4.34Å; V356-F365 HydrophobicContact CG1-CE1 3.5Å; V356-F365 VanDerWaalsContact CG1-CE1 3.5Å; V356-F365 HydrophobicContact CG1-CZ 3.7Å; V356-F365 HydrophobicContact CG2-CE2 4.44Å; V356-F365 HydrophobicContact CG2-CZ 4.17Å; V356-F365 PolarHBondContact N-O 3.38Å; V356-F365 WeakPolarHBondContact O-CD1 3.31Å; V356-F365 PolarHBondContact O-N 2.81Å; Q358-F365 HydrophobicContact CG-CD1 4.11Å; Q358-F365 HydrophobicContact CG-CE1 3.8Å; F365-E367 HydrophobicContact CE2-CB 4.44Å
366C78.4Confident68.9Low18 Ų1880.5 Ų80.512%0.12244%0.44CS..EExtended strand (participates in β ladder)trans-105.4127.8177.3-64.20000111C349C349-C366 WeakPolarHBondContact CA-SG 3.36Å; C349-C366 HydrophobicContact CB-CB 3.76Å; C349-C366 WeakPolarHBondContact CB-SG 3.47Å; C349-C366 WeakPolarHBondContact SG-CB 3.34Å; C349-C366 CovalentContact SG-SG 2.04Å; C349-C366 PolarHBondContact SG-SG 2.89Å
367E80.2Confident69.2Low98 Ų9878.8 Ų78.846%0.45843%0.429SS..EExtended strand (participates in β ladder)trans-95.2107.4170.8179.2178.6-135.800108.3G353 K354 V356 F365G353-E367 CarbonylContact C-O 3.6Å; G353-E367 WeakPolarHBondContact CA-O 3.09Å; K354-E367 HydrophobicContact CB-CB 4.41Å; K354-E367 PolarHBondContact N-O 2.83Å; K354-E367 IonicContact NZ-OE2 3.11Å; K354-E367 PolarHBondContact NZ-OE2 2.96Å; K354-E367 PolarHBondContact O-N 3.12Å; V356-E367 HydrophobicContact CG2-CB 4.4Å; F365-E367 HydrophobicContact CE2-CB 4.44Å
368C82.5Confident69.6Low49 Ų4980 Ų8033%0.33143%0.43SS..EExtended strand (participates in β ladder)trans-80.1151.3-169.1-56.10000114.5C377C368-C377 WeakPolarHBondContact CA-SG 3.1Å; C368-C377 HydrophobicContact CB-CB 3.75Å; C368-C377 WeakPolarHBondContact CB-SG 3.05Å; C368-C377 WeakPolarHBondContact SG-CA 3.44Å; C368-C377 WeakPolarHBondContact SG-CB 3.32Å; C368-C377 CovalentContact SG-SG 2.04Å; C368-C377 PolarHBondContact SG-SG 3.29Å
369E79.4Confident70.3Confident104 Ų10479.7 Ų79.749%0.48643%0.429SS..PPolyproline II helixtrans-70.8154.7170.9-64.2-176.4151.700111.6K352 G371 Y372K352-E369 IonicContact NZ-OE2 3.66Å; K352-E369 PolarHBondContact O-N 3.2Å; E369-G371 PolarHBondContact O-N 3.19Å; E369-Y372 HydrophobicContact CB-CD2 4.27Å; E369-Y372 PolarHBondContact O-N 2.9Å
370D77.3Confident71.3Confident148 Ų14874.8 Ų74.879%0.79140%0.403SS*.THydrogen-bonded Turntrans-51.8125.4179.1-82.9-52.7000112.2H384D370-H384 IonicContact OD1-CE1 3.76Å
371G71.8Confident72.5Confident11 Ų1172.5 Ų72.511%0.11338%0.382CS..THydrogen-bonded Turntrans90.3-2.4-177.700000115.5E369 L380 D381E369-G371 PolarHBondContact O-N 3.19Å; G371-L380 VanDerWaalsContact O-CD1 3.31Å; G371-L380 WeakPolarHBondContact O-CD1 3.43Å; G371-D381 PolarHBondContact O-N 2.05Å
372Y78.4Confident73.6Confident74 Ų7468.6 Ų68.629%0.2937%0.367SS..EExtended strand (participates in β ladder)trans-107.6148.9175-69.4-88.7000112.8K352 E369 E379 L380K352-Y372 HydrophobicContact CB-CD1 4.02Å; K352-Y372 HydrophobicContact CB-CD2 4.37Å; K352-Y372 HydrophobicContact CB-CE1 4.3Å; K352-Y372 HydrophobicContact CB-CG 4.05Å; K352-Y372 HydrophobicContact CD-CD1 4.46Å; K352-Y372 HydrophobicContact CD-CD2 4.17Å; K352-Y372 HydrophobicContact CD-CE1 4.01Å; K352-Y372 HydrophobicContact CD-CE2 3.69Å; K352-Y372 VanDerWaalsContact CE-OH 3.23Å; K352-Y372 WeakPolarHBondContact CE-OH 3.48Å; K352-Y372 HydrophobicContact CG-CD1 4.06Å; K352-Y372 HydrophobicContact CG-CE1 3.82Å; K352-Y372 HydrophobicContact CG-CE2 4.33Å; K352-Y372 HydrophobicContact CG-CG 4.41Å; K352-Y372 PolarHBondContact NZ-OH 3.21Å; E369-Y372 HydrophobicContact CB-CD2 4.27Å; E369-Y372 PolarHBondContact O-N 2.9Å; Y372-E379 WeakPolarHBondContact CA-O 3.47Å; Y372-L380 HydrophobicContact CD1-CD1 3.9Å; Y372-L380 HydrophobicContact CD2-CD1 4.21Å; Y372-L380 HydrophobicContact CE1-CD1 3.51Å; Y372-L380 HydrophobicContact CE2-CD1 3.86Å; Y372-L380 HydrophobicContact CG-CD1 4.23Å; Y372-L380 VanDerWaalsContact CZ-CD1 3.49Å
373T75.5Confident74.9Confident65 Ų6565.2 Ų65.240%0.39934%0.343SS..EExtended strand (participates in β ladder)trans-146.5177.8-178.5-167.60000110.7C377 E378 E379 D381T373-C377 CarbonylContact O-C 3.38Å; T373-C377 WeakPolarHBondContact O-CA 3.02Å; T373-E378 PolarHBondContact O-N 2.04Å; T373-E378 VanDerWaalsContact O-N 3.16Å; T373-E379 HydrophobicContact CG2-CB 3.86Å; T373-E379 PolarHBondContact N-O 3.36Å; T373-E379 PolarHBondContact O-N 2.03Å; T373-D381 HydrophobicContact CG2-CB 4.31Å
374G70.7Confident76.1Confident31 Ų3165 Ų6532%0.3234%0.337SS..SBendtrans96.1172.7-170.600000113.1F376 E378G374-F376 VanDerWaalsContact C-N 3.33Å; G374-E378 VanDerWaalsContact CA-OE2 3.27Å; G374-E378 WeakPolarHBondContact CA-OE2 3.02Å
375I72.4Confident76.8Confident127 Ų12770.3 Ų70.365%0.65136%0.362SS*.THydrogen-bonded Turntrans-78.1-19-172.651.7167.9000113.4E378I375-E378 WeakPolarHBondContact CG1-OE1 3.28Å; I375-E378 PolarHBondContact N-OE2 2.79Å
376F75.7Confident77.2Confident91 Ų9175.9 Ų75.940%0.39938%0.38SS..THydrogen-bonded Turntrans-123.416.8175.4-56.3-61.4000111.6Q348 C349 S350 G374 E378Q348-F376 WeakPolarHBondContact O-CD1 3.27Å; C349-F376 CarbonylContact C-O 2.99Å; C349-F376 WeakPolarHBondContact CA-O 3.01Å; S350-F376 VanDerWaalsContact CB-O 3.25Å; S350-F376 WeakPolarHBondContact CB-O 3.15Å; S350-F376 PolarHBondContact N-O 3.25Å; S350-F376 PolarHBondContact OG-O 2.94Å; G374-F376 VanDerWaalsContact C-N 3.33Å; F376-E378 VanDerWaalsContact C-N 3.32Å; F376-E378 WeakPolarHBondContact CA-OE2 3.42Å; F376-E378 PolarHBondContact N-OE2 3.37Å
377C78.7Confident77.5Confident1 Ų175.8 Ų75.81%0.00738%0.38CS..SBendtrans6138.4-175.5-45.10000113.1K352 C368 T373K352-C377 HydrophobicContact CB-CB 4.04Å; K352-C377 WeakPolarHBondContact CB-O 3.45Å; K352-C377 WeakPolarHBondContact O-CB 3.27Å; C368-C377 WeakPolarHBondContact CA-SG 3.1Å; C368-C377 HydrophobicContact CB-CB 3.75Å; C368-C377 WeakPolarHBondContact CB-SG 3.05Å; C368-C377 WeakPolarHBondContact SG-CA 3.44Å; C368-C377 WeakPolarHBondContact SG-CB 3.32Å; C368-C377 CovalentContact SG-SG 2.04Å; C368-C377 PolarHBondContact SG-SG 3.29Å; T373-C377 CarbonylContact O-C 3.38Å; T373-C377 WeakPolarHBondContact O-CA 3.02Å
378E73.5Confident77.9Confident94 Ų9472 Ų7244%0.43936%0.364SS..  trans-94-16.5-170.571.5-85.9-138.900114.8T373 G374 I375 F376T373-E378 PolarHBondContact O-N 2.04Å; T373-E378 VanDerWaalsContact O-N 3.16Å; G374-E378 VanDerWaalsContact CA-OE2 3.27Å; G374-E378 WeakPolarHBondContact CA-OE2 3.02Å; I375-E378 WeakPolarHBondContact CG1-OE1 3.28Å; I375-E378 PolarHBondContact N-OE2 2.79Å; F376-E378 VanDerWaalsContact C-N 3.32Å; F376-E378 WeakPolarHBondContact CA-OE2 3.42Å; F376-E378 PolarHBondContact N-OE2 3.37Å
379E73.1Confident78.1Confident77 Ų7777.2 Ų77.236%0.3638%0.377SS..EExtended strand (participates in β ladder)trans-106.2149.9176.4-62.4-170.8146.500110.6Y372 T373 R398Y372-E379 WeakPolarHBondContact CA-O 3.47Å; T373-E379 HydrophobicContact CG2-CB 3.86Å; T373-E379 PolarHBondContact N-O 3.36Å; T373-E379 PolarHBondContact O-N 2.03Å; E379-R398 WeakPolarHBondContact OE1-CD 3.42Å
380L75.3Confident78.3Confident70 Ų7075.4 Ų75.437%0.36637%0.371SS..EExtended strand (participates in β ladder)trans-104123.9175.1-169.986.7000109.5G371 Y372 A382 G403G371-L380 VanDerWaalsContact O-CD1 3.31Å; G371-L380 WeakPolarHBondContact O-CD1 3.43Å; Y372-L380 HydrophobicContact CD1-CD1 3.9Å; Y372-L380 HydrophobicContact CD2-CD1 4.21Å; Y372-L380 HydrophobicContact CE1-CD1 3.51Å; Y372-L380 HydrophobicContact CE2-CD1 3.86Å; Y372-L380 HydrophobicContact CG-CD1 4.23Å; Y372-L380 VanDerWaalsContact CZ-CD1 3.49Å; L380-A382 PolarHBondContact O-N 2.8Å; L380-A382 VanDerWaalsContact O-N 3.12Å; L380-G403 VanDerWaalsContact CD2-O 3.31Å; L380-G403 WeakPolarHBondContact CD2-O 3.47Å
381D77.5Confident78.6Confident56 Ų5675.3 Ų75.330%0.29937%0.37SS..  trans-76.796.7179.1176.98.9000111.2G371 T373 C383 H384G371-D381 PolarHBondContact O-N 2.05Å; T373-D381 HydrophobicContact CG2-CB 4.31Å; D381-C383 PolarHBondContact O-N 3.22Å; D381-C383 VanDerWaalsContact O-N 3.16Å; D381-C383 VanDerWaalsContact OD1-CA 3.31Å; D381-C383 WeakPolarHBondContact OD1-CA 3.41Å; D381-C383 VanDerWaalsContact OD1-CB 3.27Å; D381-C383 WeakPolarHBondContact OD1-CB 3.33Å; D381-C383 PolarHBondContact OD1-N 3.14Å; D381-H384 HydrophobicContact CB-CB 4.16Å; D381-H384 VanDerWaalsContact O-CB 3.3Å; D381-H384 WeakPolarHBondContact O-CB 3.47Å; D381-H384 PolarHBondContact O-N 2.86Å; D381-H384 PolarHBondContact OD1-N 2.8Å; D381-H384 PolarHBondContact OD2-N 3.2Å
382A77.6Confident79.2Confident17 Ų1775.5 Ų75.514%0.1437%0.37CS..THydrogen-bonded Turntrans-64.4-15.117600000113.8L380 D396 F406L380-A382 PolarHBondContact O-N 2.8Å; L380-A382 VanDerWaalsContact O-N 3.12Å; A382-D396 WeakPolarHBondContact CB-OD1 3.44Å; A382-F406 HydrophobicContact CB-CB 4.11Å
383C81.4Confident79.7Confident22 Ų2276.3 Ų76.315%0.14938%0.383CS..THydrogen-bonded Turntrans-90.1-12.3177-69.10000113.9D381 H385 R386 C394D381-C383 PolarHBondContact O-N 3.22Å; D381-C383 VanDerWaalsContact O-N 3.16Å; D381-C383 VanDerWaalsContact OD1-CA 3.31Å; D381-C383 WeakPolarHBondContact OD1-CA 3.41Å; D381-C383 VanDerWaalsContact OD1-CB 3.27Å; D381-C383 WeakPolarHBondContact OD1-CB 3.33Å; D381-C383 PolarHBondContact OD1-N 3.14Å; C383-H385 VanDerWaalsContact C-N 3.3Å; C383-H385 PolarHBondContact O-N 3.18Å; C383-R386 WeakPolarHBondContact O-CA 3.2Å; C383-R386 PolarHBondContact O-N 2.89Å; C383-C394 WeakPolarHBondContact CA-SG 3.22Å; C383-C394 HydrophobicContact CB-CB 3.75Å; C383-C394 WeakPolarHBondContact CB-SG 3.43Å; C383-C394 WeakPolarHBondContact SG-CB 3.47Å; C383-C394 CovalentContact SG-SG 2.04Å; C383-C394 PolarHBondContact SG-SG 2.77Å
384H80.6Confident80.3Confident75 Ų7574.8 Ų74.835%0.34738%0.375SS..THydrogen-bonded Turntrans-50.7-44-177.7174.884.3000113.3D370 D381 R386D370-H384 IonicContact OD1-CE1 3.76Å; D381-H384 HydrophobicContact CB-CB 4.16Å; D381-H384 VanDerWaalsContact O-CB 3.3Å; D381-H384 WeakPolarHBondContact O-CB 3.47Å; D381-H384 PolarHBondContact O-N 2.86Å; D381-H384 PolarHBondContact OD1-N 2.8Å; D381-H384 PolarHBondContact OD2-N 3.2Å; H384-R386 PolarHBondContact O-N 3Å
385H80.1Confident80.9Confident165 Ų16576.4 Ų76.476%0.76438%0.379SS*.THydrogen-bonded Turntrans-82.912.5177.9-67.9-41.2000114.9C383C383-H385 VanDerWaalsContact C-N 3.3Å; C383-H385 PolarHBondContact O-N 3.18Å
386R82Confident81.1Confident200 Ų20072.9 Ų72.976%0.75536%0.361SS*.  trans51.659.9177.7-52.2-177.571.9-1732.6113.1C383 H384 C388C383-R386 WeakPolarHBondContact O-CA 3.2Å; C383-R386 PolarHBondContact O-N 2.89Å; H384-R386 PolarHBondContact O-N 3Å; R386-C388 PolarHBondContact O-N 2.83Å; R386-C388 VanDerWaalsContact O-N 3.14Å
387P83.6Confident81Confident17 Ų1770.9 Ų70.911%0.1136%0.356CS..  trans-69.3-10.8-171.229.7-37.7000115.4F406 R418P387-F406 HydrophobicContact CB-CD1 4.06Å; P387-F406 HydrophobicContact CB-CD2 4.05Å; P387-F406 HydrophobicContact CB-CE1 3.88Å; P387-F406 HydrophobicContact CB-CE2 3.88Å; P387-F406 HydrophobicContact CB-CG 4.19Å; P387-F406 HydrophobicContact CB-CZ 3.83Å; P387-F406 HydrophobicContact CG-CB 4.31Å; P387-F406 HydrophobicContact CG-CD1 3.83Å; P387-F406 HydrophobicContact CG-CD2 3.66Å; P387-F406 HydrophobicContact CG-CE1 4.18Å; P387-F406 HydrophobicContact CG-CE2 4.02Å; P387-F406 HydrophobicContact CG-CG 3.6Å; P387-F406 HydrophobicContact CG-CZ 4.3Å; P387-R418 PolarHBondContact O-NH1 2.03Å
388C89Confident80.2Confident19 Ų1980.2 Ų80.213%0.12839%0.391CS..  trans-96.3136.9-178-52.20000111.9R386 A392 C394 C408R386-C388 PolarHBondContact O-N 2.83Å; R386-C388 VanDerWaalsContact O-N 3.14Å; C388-A392 HydrophobicContact CB-CB 4.08Å; C388-C394 VanDerWaalsContact SG-CB 3.54Å; C388-C408 WeakPolarHBondContact CA-SG 3.42Å; C388-C408 HydrophobicContact CB-CB 3.78Å; C388-C408 WeakPolarHBondContact CB-SG 3.32Å; C388-C408 VanDerWaalsContact SG-CA 3.52Å; C388-C408 WeakPolarHBondContact SG-CB 3.04Å; C388-C408 CovalentContact SG-SG 2.03Å; C388-C408 PolarHBondContact SG-SG 2.75Å
389W86.6Confident79.4Confident158 Ų15882.2 Ų82.260%0.59840%0.4SS*.  trans-95.7173.5-176.1-7054.1000111.6N391 A392 R418 Q420W389-N391 PolarHBondContact O-N 3.05Å; W389-N391 VanDerWaalsContact O-N 3.07Å; W389-A392 VanDerWaalsContact O-CB 3.25Å; W389-A392 WeakPolarHBondContact O-CB 3.47Å; W389-A392 PolarHBondContact O-N 2.8Å; W389-R418 WeakPolarHBondContact CB-O 3.5Å; W389-R418 PolarHBondContact N-O 3.23Å; W389-Q420 HydrophobicContact CB-CB 4.48Å; W389-Q420 HydrophobicContact CG-CB 4.38Å
390N83Confident78.3Confident66 Ų6682.5 Ų82.535%0.35342%0.424SS..THydrogen-bonded Turntrans52.635.2171.5-60.8-51.3000114.9A392 Y414 C419N390-A392 PolarHBondContact O-N 3.08Å; N390-Y414 HydrophobicContact CB-CD1 3.78Å; N390-Y414 HydrophobicContact CB-CD2 4.32Å; N390-Y414 HydrophobicContact CB-CE1 3.64Å; N390-Y414 HydrophobicContact CB-CE2 4.16Å; N390-Y414 HydrophobicContact CB-CG 4.11Å; N390-Y414 VanDerWaalsContact ND2-CD1 3.34Å; N390-Y414 WeakPolarHBondContact ND2-CD1 3.46Å; N390-Y414 VanDerWaalsContact ND2-CE1 3.3Å; N390-Y414 WeakPolarHBondContact ND2-CE1 3.02Å; N390-C419 PolarHBondContact ND2-O 3.06Å
391N83.9Confident77.2Confident146 Ų14683.3 Ų83.378%0.78145%0.449SS*.THydrogen-bonded Turntrans60.325.8-178-156.451.6000114.8W389W389-N391 PolarHBondContact O-N 3.05Å; W389-N391 VanDerWaalsContact O-N 3.07Å
392A85.1Confident76.3Confident14 Ų1489.6 Ų89.612%0.11648%0.477CS..PPolyproline II helixtrans-69.9144172.400000112.5C388 W389 N390 T409 C419C388-A392 HydrophobicContact CB-CB 4.08Å; W389-A392 VanDerWaalsContact O-CB 3.25Å; W389-A392 WeakPolarHBondContact O-CB 3.47Å; W389-A392 PolarHBondContact O-N 2.8Å; N390-A392 PolarHBondContact O-N 3.08Å; A392-T409 WeakPolarHBondContact CB-O 3.3Å; A392-C419 HydrophobicContact CB-CB 3.71Å; A392-C419 WeakPolarHBondContact CB-SG 3.28Å
393T89.4Confident75.2Confident91 Ų9190 Ų9056%0.55848%0.483SS*.EExtended strand (participates in β ladder)trans-73.6134.4178.3-38.30000110.4C408 T409T393-C408 WeakPolarHBondContact O-CA 3.04Å; T393-T409 WeakPolarHBondContact CB-OG1 3.24Å; T393-T409 PolarHBondContact N-O 2.73Å; T393-T409 PolarHBondContact O-N 3.29Å
394C87.3Confident74.3Confident33 Ų3396.8 Ų96.822%0.22351%0.512CS..EExtended strand (participates in β ladder)trans-96.3135.1172.3-1710000110.1C383 C388C383-C394 WeakPolarHBondContact CA-SG 3.22Å; C383-C394 HydrophobicContact CB-CB 3.75Å; C383-C394 WeakPolarHBondContact CB-SG 3.43Å; C383-C394 WeakPolarHBondContact SG-CB 3.47Å; C383-C394 CovalentContact SG-SG 2.04Å; C383-C394 PolarHBondContact SG-SG 2.77Å; C388-C394 VanDerWaalsContact SG-CB 3.54Å
395T83.9Confident73.9Confident66 Ų6697.1 Ų97.141%0.40552%0.517SS..EExtended strand (participates in β ladder)trans-127.5121.2171.457.70000109.6T407T395-T407 PolarHBondContact N-O 3.45Å; T395-T407 PolarHBondContact O-N 3.41Å; T395-T407 PolarHBondContact OG1-O 3.5Å
396D76.8Confident73.8Confident53 Ų5391.2 Ų91.228%0.28349%0.489SS..EExtended strand (participates in β ladder)trans-72.9137176.9-179.446.7000111.4A382A382-D396 WeakPolarHBondContact CB-OD1 3.44Å
397V72.6Confident73.9Confident49 Ų4985 Ų8530%0.29747%0.473SS..  trans-106.698.2-176-172.60000109.6Q399 N405 T407V397-Q399 PolarHBondContact O-N 2.82Å; V397-N405 WeakPolarHBondContact CA-O 3.34Å; V397-N405 WeakPolarHBondContact CB-O 3.36Å; V397-N405 WeakPolarHBondContact CG2-O 3.43Å; V397-N405 PolarHBondContact N-O 2.9Å; V397-T407 WeakPolarHBondContact CG2-OG1 3.5Å
398R62.8Low74.1Confident197 Ų19785 Ų8574%0.74347%0.473SS*.  trans-60.789.5-178.4-67.5-174.1-114.9168.1-5.2113.2E379E379-R398 WeakPolarHBondContact OE1-CD 3.42Å
399Q55.3Low74.1Confident135 Ų13587.5 Ų87.563%0.63149%0.488SS*.  trans-128.7119.8164.6-70.5-177-18.700107.4V397V397-Q399 PolarHBondContact O-N 2.82Å
400G51.4Low74.1Confident83 Ų8382.3 Ų82.386%0.85648%0.476SS*.SBendtrans-72.7162.4-162.900000115.5E402G400-E402 PolarHBondContact O-N 2.77Å
401G51.6Low74.1Confident87 Ų8781.1 Ų81.190%0.89747%0.471SS*.SBendtrans89-50.9169.100000115.1
402E57.4Low73.9Confident189 Ų18979.7 Ų79.788%0.88347%0.47SS*.SBendtrans-122.447-172.2-61.3-170.8156.300112.2G400 Q404G400-E402 PolarHBondContact O-N 2.77Å; E402-Q404 PolarHBondContact O-N 2.93Å
403G56.2Low73.4Confident26 Ų2679.6 Ų79.627%0.26847%0.471SS..  trans-63.1103.4-17300000114.7L380L380-G403 VanDerWaalsContact CD2-O 3.31Å; L380-G403 WeakPolarHBondContact CD2-O 3.47Å
404Q61.5Low73.1Confident163 Ų16378.2 Ų78.276%0.76246%0.456SS*.  trans-138.615.9155.9-64.6-168.1400111.4E402 F406E402-Q404 PolarHBondContact O-N 2.93Å; Q404-F406 WeakPolarHBondContact O-CD1 3.47Å; Q404-F406 PolarHBondContact O-N 3.29Å
405N71.6Confident72.9Confident83 Ų8380.6 Ų80.644%0.44446%0.463SS..  trans-96.683.9-161.7-151.414.3000110.8V397V397-N405 WeakPolarHBondContact CA-O 3.34Å; V397-N405 WeakPolarHBondContact CB-O 3.36Å; V397-N405 WeakPolarHBondContact CG2-O 3.43Å; V397-N405 PolarHBondContact N-O 2.9Å
406F78.6Confident72.8Confident41 Ų4179.1 Ų79.118%0.1846%0.461CS..EExtended strand (participates in β ladder)trans-96.2154.617564-85.4000111A382 P387 Q404 C408 R418A382-F406 HydrophobicContact CB-CB 4.11Å; P387-F406 HydrophobicContact CB-CD1 4.06Å; P387-F406 HydrophobicContact CB-CD2 4.05Å; P387-F406 HydrophobicContact CB-CE1 3.88Å; P387-F406 HydrophobicContact CB-CE2 3.88Å; P387-F406 HydrophobicContact CB-CG 4.19Å; P387-F406 HydrophobicContact CB-CZ 3.83Å; P387-F406 HydrophobicContact CG-CB 4.31Å; P387-F406 HydrophobicContact CG-CD1 3.83Å; P387-F406 HydrophobicContact CG-CD2 3.66Å; P387-F406 HydrophobicContact CG-CE1 4.18Å; P387-F406 HydrophobicContact CG-CE2 4.02Å; P387-F406 HydrophobicContact CG-CG 3.6Å; P387-F406 HydrophobicContact CG-CZ 4.3Å; Q404-F406 WeakPolarHBondContact O-CD1 3.47Å; Q404-F406 PolarHBondContact O-N 3.29Å; F406-C408 VanDerWaalsContact CE2-SG 3.56Å; F406-R418 HydrophobicContact CE2-CG 4.31Å; F406-R418 HydrophobicContact CZ-CG 4.39Å; F406-R418 VanDerWaalsContact CZ-NH1 3.31Å
407T83.6Confident73.1Confident69 Ų6984.8 Ų84.842%0.42349%0.486SS..EExtended strand (participates in β ladder)trans-115.5134.3166.6-63.60000109.5T395 V397T395-T407 PolarHBondContact N-O 3.45Å; T395-T407 PolarHBondContact O-N 3.41Å; T395-T407 PolarHBondContact OG1-O 3.5Å; V397-T407 WeakPolarHBondContact CG2-OG1 3.5Å
408C88.6Confident73.7Confident16 Ų1687.5 Ų87.511%0.10849%0.491CS..EExtended strand (participates in β ladder)trans-100.8123173.3-61.30000110.4C388 T393 F406C388-C408 WeakPolarHBondContact CA-SG 3.42Å; C388-C408 HydrophobicContact CB-CB 3.78Å; C388-C408 WeakPolarHBondContact CB-SG 3.32Å; C388-C408 VanDerWaalsContact SG-CA 3.52Å; C388-C408 WeakPolarHBondContact SG-CB 3.04Å; C388-C408 CovalentContact SG-SG 2.03Å; C388-C408 PolarHBondContact SG-SG 2.75Å; T393-C408 WeakPolarHBondContact O-CA 3.04Å; F406-C408 VanDerWaalsContact CE2-SG 3.56Å
409T88.3Confident74.9Confident72 Ų7278.1 Ų78.144%0.44246%0.456SS..EExtended strand (participates in β ladder)trans-93.2109.117264.10000109.7A392 T393A392-T409 WeakPolarHBondContact CB-O 3.3Å; T393-T409 WeakPolarHBondContact CB-OG1 3.24Å; T393-T409 PolarHBondContact N-O 2.73Å; T393-T409 PolarHBondContact O-N 3.29Å
410C86.8Confident76.3Confident50 Ų5076 Ų7634%0.33845%0.445SS..PPolyproline II helixtrans-74.8139.9-171.7-52.70000113.4Y414 C419C410-Y414 WeakPolarHBondContact CB-O 3.37Å; C410-C419 WeakPolarHBondContact CA-SG 3.49Å; C410-C419 HydrophobicContact CB-CB 3.67Å; C410-C419 WeakPolarHBondContact CB-SG 3.38Å; C410-C419 PolarHBondContact N-SG 3.03Å; C410-C419 WeakPolarHBondContact SG-CA 3.25Å; C410-C419 WeakPolarHBondContact SG-CB 3.5Å; C410-C419 CovalentContact SG-SG 2.04Å; C410-C419 PolarHBondContact SG-SG 2.86Å
411P83.9Confident77.7Confident40 Ų4076.7 Ų76.726%0.2643%0.428SS..PPolyproline II helixtrans-70.6161170.629.1-31.6000110.9G413 Y414P411-G413 PolarHBondContact O-N 3.27Å; P411-Y414 HydrophobicContact CG-CD2 3.88Å; P411-Y414 PolarHBondContact O-N 3.1Å; P411-Y414 VanDerWaalsContact O-N 3.16Å
412P80.1Confident78.9Confident117 Ų11776.8 Ų76.876%0.7641%0.407SS*.THydrogen-bonded Turntrans-51.9134.6-179.8-27.535.6000112.9
413G74.4Confident80.1Confident12 Ų1269.6 Ų69.612%0.12438%0.376CS..THydrogen-bonded Turntrans87-1.5-178.200000115.7P411 L422 V423P411-G413 PolarHBondContact O-N 3.27Å; G413-L422 WeakPolarHBondContact O-CA 3.02Å; G413-L422 WeakPolarHBondContact O-CD1 3.45Å; G413-V423 PolarHBondContact O-N 2.04Å
414Y83.2Confident81.2Confident62 Ų6271.8 Ų71.824%0.24338%0.382CS..EExtended strand (participates in β ladder)trans-119.4147.9177.4-67.7-87.6000113.6N390 C410 P411 M421 L422 L441N390-Y414 HydrophobicContact CB-CD1 3.78Å; N390-Y414 HydrophobicContact CB-CD2 4.32Å; N390-Y414 HydrophobicContact CB-CE1 3.64Å; N390-Y414 HydrophobicContact CB-CE2 4.16Å; N390-Y414 HydrophobicContact CB-CG 4.11Å; N390-Y414 VanDerWaalsContact ND2-CD1 3.34Å; N390-Y414 WeakPolarHBondContact ND2-CD1 3.46Å; N390-Y414 VanDerWaalsContact ND2-CE1 3.3Å; N390-Y414 WeakPolarHBondContact ND2-CE1 3.02Å; C410-Y414 WeakPolarHBondContact CB-O 3.37Å; P411-Y414 HydrophobicContact CG-CD2 3.88Å; P411-Y414 PolarHBondContact O-N 3.1Å; P411-Y414 VanDerWaalsContact O-N 3.16Å; Y414-M421 CarbonylContact C-O 3.54Å; Y414-M421 VanDerWaalsContact CA-O 3.25Å; Y414-M421 WeakPolarHBondContact CA-O 3.32Å; Y414-M421 WeakPolarHBondContact CD1-O 3.42Å; Y414-L422 HydrophobicContact CD1-CD1 4.47Å; Y414-L422 HydrophobicContact CE1-CD1 4.12Å; Y414-L441 HydrophobicContact CD2-CD2 4.06Å; Y414-L441 HydrophobicContact CE2-CD2 3.34Å
415E83Confident82.1Confident82 Ų8266.4 Ų66.438%0.38336%0.356SS..EExtended strand (participates in β ladder)trans-144.1175.7-177.867179.8-174.700113.3C419 Q420 M421 V423E415-C419 CarbonylContact O-C 3.32Å; E415-C419 VanDerWaalsContact O-C 3.32Å; E415-C419 WeakPolarHBondContact O-CA 3.28Å; E415-Q420 PolarHBondContact O-N 2.96Å; E415-M421 HydrophobicContact CG-CB 3.8Å; E415-M421 HydrophobicContact CG-CE 4.4Å; E415-M421 PolarHBondContact N-O 3.45Å; E415-M421 PolarHBondContact O-N 3.21Å; E415-V423 HydrophobicContact CB-CG2 3.92Å; E415-V423 HydrophobicContact CG-CG2 3.95Å
416G81.9Confident82.8Confident35 Ų3563.6 Ų63.636%0.36134%0.343SS..SBendtrans90.8160.8-174.100000113.5R418 C419G416-R418 PolarHBondContact O-N 2.91Å; G416-C419 PolarHBondContact O-N 2.9Å
417E81.6Confident83Confident173 Ų17368.2 Ų68.281%0.80837%0.369SS*.THydrogen-bonded Turntrans-57.8-24.1-172.1-60.5-179.9151.400115
418R85.9Confident82.9Confident106 Ų10669.1 Ų69.140%0.438%0.378SS..THydrogen-bonded Turntrans-11713.7175.9-59.1176.4-173.7-96.4-2.1112P387 W389 F406 G416 Q420P387-R418 PolarHBondContact O-NH1 2.03Å; W389-R418 WeakPolarHBondContact CB-O 3.5Å; W389-R418 PolarHBondContact N-O 3.23Å; F406-R418 HydrophobicContact CE2-CG 4.31Å; F406-R418 HydrophobicContact CZ-CG 4.39Å; F406-R418 VanDerWaalsContact CZ-NH1 3.31Å; G416-R418 PolarHBondContact O-N 2.91Å; R418-Q420 PolarHBondContact O-N 3.15Å
419C87.6Confident82.7Confident0 Ų075.7 Ų75.70%041%0.407CS..SBendtrans59.331-176.1-47.10000113.6N390 A392 C410 E415 G416N390-C419 PolarHBondContact ND2-O 3.06Å; A392-C419 HydrophobicContact CB-CB 3.71Å; A392-C419 WeakPolarHBondContact CB-SG 3.28Å; C410-C419 WeakPolarHBondContact CA-SG 3.49Å; C410-C419 HydrophobicContact CB-CB 3.67Å; C410-C419 WeakPolarHBondContact CB-SG 3.38Å; C410-C419 PolarHBondContact N-SG 3.03Å; C410-C419 WeakPolarHBondContact SG-CA 3.25Å; C410-C419 WeakPolarHBondContact SG-CB 3.5Å; C410-C419 CovalentContact SG-SG 2.04Å; C410-C419 PolarHBondContact SG-SG 2.86Å; E415-C419 CarbonylContact O-C 3.32Å; E415-C419 VanDerWaalsContact O-C 3.32Å; E415-C419 WeakPolarHBondContact O-CA 3.28Å; G416-C419 PolarHBondContact O-N 2.9Å
420Q85.1Confident82.7Confident89 Ų8973.2 Ų73.242%0.41639%0.393SS..  trans-84.9-13.5-171.775.3-76.50.300114.6W389 E415 R418W389-Q420 HydrophobicContact CB-CB 4.48Å; W389-Q420 HydrophobicContact CG-CB 4.38Å; E415-Q420 PolarHBondContact O-N 2.96Å; R418-Q420 PolarHBondContact O-N 3.15Å
421M80.9Confident82.9Confident99 Ų9971.8 Ų71.849%0.48838%0.383SS..EExtended strand (participates in β ladder)trans-103.9148.6179.2-73.7167.75300111.1Y414 E415Y414-M421 CarbonylContact C-O 3.54Å; Y414-M421 VanDerWaalsContact CA-O 3.25Å; Y414-M421 WeakPolarHBondContact CA-O 3.32Å; Y414-M421 WeakPolarHBondContact CD1-O 3.42Å; E415-M421 HydrophobicContact CG-CB 3.8Å; E415-M421 HydrophobicContact CG-CE 4.4Å; E415-M421 PolarHBondContact N-O 3.45Å; E415-M421 PolarHBondContact O-N 3.21Å
422L77.4Confident83Confident88 Ų8874.7 Ų74.746%0.46139%0.391SS..EExtended strand (participates in β ladder)trans-90.4132.6168.5-172.582.2000108.7G413 Y414 D424 L441G413-L422 WeakPolarHBondContact O-CA 3.02Å; G413-L422 WeakPolarHBondContact O-CD1 3.45Å; Y414-L422 HydrophobicContact CD1-CD1 4.47Å; Y414-L422 HydrophobicContact CE1-CD1 4.12Å; L422-D424 PolarHBondContact O-N 2.9Å; L422-L441 HydrophobicContact CD1-CD2 3.49Å; L422-L441 VanDerWaalsContact CD1-CD2 3.49Å; L422-L441 HydrophobicContact CD1-CG 4.21Å
423V81.8Confident83.3Confident38 Ų3872.9 Ų72.923%0.2338%0.375CS..PPolyproline II helixtrans-64.5126.3177.3176.20000110G413 E415 H425 S439G413-V423 PolarHBondContact O-N 2.04Å; E415-V423 HydrophobicContact CB-CG2 3.92Å; E415-V423 HydrophobicContact CG-CG2 3.95Å; V423-H425 PolarHBondContact O-N 2.03Å; V423-H425 PolarHBondContact O-ND1 3.3Å; V423-S439 PolarHBondContact O-OG 3.11Å
424D80.3Confident83.6Confident73 Ų7375.8 Ų75.839%0.3941%0.405SS..  trans-89.294.1171.4-173.46.4000111.7L422 C426 L427L422-D424 PolarHBondContact O-N 2.9Å; D424-C426 PolarHBondContact O-N 2.89Å; D424-C426 VanDerWaalsContact OD1-CB 3.29Å; D424-C426 WeakPolarHBondContact OD1-CB 3.04Å; D424-C426 PolarHBondContact OD1-N 2.9Å; D424-L427 HydrophobicContact CB-CD1 4.18Å; D424-L427 HydrophobicContact CB-CG 4.12Å
425H80.5Confident83.8Confident49 Ų4973.6 Ų73.623%0.22740%0.4CS..G310 helixtrans-65.8-18.8177-57.193.1000113.4V423 S428 S439 S440 P444V423-H425 PolarHBondContact O-N 2.03Å; V423-H425 PolarHBondContact O-ND1 3.3Å; H425-S428 PolarHBondContact O-OG 2.89Å; H425-S439 PolarHBondContact N-OG 2.99Å; H425-S439 VanDerWaalsContact N-OG 3.16Å; H425-S439 PolarHBondContact ND1-OG 3.1Å; H425-S440 PolarHBondContact CE1-O 2.82Å; H425-S440 PolarHBondContact ND1-O 2.97Å; H425-P444 HydrophobicContact CB-CB 3.67Å; H425-P444 HydrophobicContact CB-CG 3.98Å
426C84.6Confident84.1Confident24 Ų2473.6 Ų73.616%0.16241%0.405CS..G310 helixtrans-78.6-17.2-175-69.10000114.3D424 S428 Q429 C437 F438 S439D424-C426 PolarHBondContact O-N 2.89Å; D424-C426 VanDerWaalsContact OD1-CB 3.29Å; D424-C426 WeakPolarHBondContact OD1-CB 3.04Å; D424-C426 PolarHBondContact OD1-N 2.9Å; C426-S428 PolarHBondContact O-N 2.03Å; C426-S428 VanDerWaalsContact O-N 3.11Å; C426-Q429 PolarHBondContact O-N 2.04Å; C426-C437 WeakPolarHBondContact CA-SG 3.06Å; C426-C437 HydrophobicContact CB-CB 3.75Å; C426-C437 WeakPolarHBondContact CB-SG 3.46Å; C426-C437 WeakPolarHBondContact SG-CB 3.45Å; C426-C437 CovalentContact SG-SG 2.04Å; C426-C437 PolarHBondContact SG-SG 2.82Å; C426-F438 PolarHBondContact SG-N 3.23Å; C426-F438 VanDerWaalsContact SG-N 3.36Å; C426-S439 PolarHBondContact SG-N 3.15Å; C426-S439 VanDerWaalsContact SG-N 3.37Å
427L83.6Confident84.5Confident139 Ų13973.6 Ų73.673%0.72840%0.4SS*.G310 helixtrans-56.2-26.4172.4-63.4176.4000112.7D424 Q429D424-L427 HydrophobicContact CB-CD1 4.18Å; D424-L427 HydrophobicContact CB-CG 4.12Å; L427-Q429 PolarHBondContact O-N 2.85Å
428S82.1Confident84.7Confident88 Ų8870.9 Ų70.962%0.61539%0.385SS*.G310 helixtrans-74.4-5.7176.468.40000114.9H425 C426 P430H425-S428 PolarHBondContact O-OG 2.89Å; C426-S428 PolarHBondContact O-N 2.03Å; C426-S428 VanDerWaalsContact O-N 3.11Å; S428-P430 WeakPolarHBondContact OG-CD 3.02Å
429Q84.8Confident84.5Confident153 Ų15367.5 Ų67.572%0.71538%0.378SS*.  trans46.456.3-172.6-57.9-17517.100113.3C426 L427 K432C426-Q429 PolarHBondContact O-N 2.04Å; L427-Q429 PolarHBondContact O-N 2.85Å; Q429-K432 PolarHBondContact O-NZ 2.9Å
430P87.7Confident84Confident21 Ų2169.4 Ų69.414%0.13639%0.391CS..  trans-70.6-40-173.428-30.4000111.5S428 K432 P444 T456S428-P430 WeakPolarHBondContact OG-CD 3.02Å; P430-K432 WeakPolarHBondContact O-CE 3.4Å; P430-K432 PolarHBondContact O-NZ 3.35Å; P430-P444 HydrophobicContact CB-CB 4.42Å; P430-P444 HydrophobicContact CB-CG 4.24Å; P430-P444 HydrophobicContact CG-CB 3.55Å; P430-P444 HydrophobicContact CG-CG 3.87Å; P430-T456 HydrophobicContact CB-CG2 4.48Å
431C89.7Confident83.4Confident19 Ų1969.9 Ų69.913%0.12840%0.396CS..  trans-66.3139-179-48.10000112.4A435 C437 C446C431-A435 HydrophobicContact CB-CB 3.97Å; C431-C437 HydrophobicContact CB-CB 4.46Å; C431-C437 WeakPolarHBondContact SG-CB 3.48Å; C431-C437 VanDerWaalsContact SG-SG 3.69Å; C431-C446 WeakPolarHBondContact CA-SG 3.4Å; C431-C446 HydrophobicContact CB-CB 3.78Å; C431-C446 WeakPolarHBondContact CB-SG 3.32Å; C431-C446 WeakPolarHBondContact SG-CA 3.48Å; C431-C446 WeakPolarHBondContact SG-CB 3.45Å; C431-C446 CovalentContact SG-SG 2.03Å; C431-C446 PolarHBondContact SG-SG 3.48Å
432K87.3Confident83Confident102 Ų10270.2 Ų70.244%0.44342%0.415SS..  trans-113.9176.2-178-52.8-54171.1-152.50111.4Q429 P430 G434 A435 T456Q429-K432 PolarHBondContact O-NZ 2.9Å; P430-K432 WeakPolarHBondContact O-CE 3.4Å; P430-K432 PolarHBondContact O-NZ 3.35Å; K432-G434 PolarHBondContact O-N 3.19Å; K432-A435 WeakPolarHBondContact O-CB 3.04Å; K432-A435 PolarHBondContact O-N 2.87Å; K432-T456 PolarHBondContact N-O 2.74Å
433N85.3Confident83.1Confident79 Ų7966.6 Ų66.642%0.42240%0.398SS..THydrogen-bonded Turntrans54.727.9173.2-58.2-47.1000115.5P449 Y452 C457N433-P449 WeakPolarHBondContact O-CG 3.36Å; N433-Y452 HydrophobicContact CB-CD1 3.75Å; N433-Y452 HydrophobicContact CB-CD2 4.36Å; N433-Y452 HydrophobicContact CB-CE1 3.69Å; N433-Y452 HydrophobicContact CB-CE2 4.31Å; N433-Y452 HydrophobicContact CB-CG 4.08Å; N433-Y452 VanDerWaalsContact ND2-CD1 3.33Å; N433-Y452 WeakPolarHBondContact ND2-CD1 3.31Å; N433-Y452 VanDerWaalsContact ND2-CE1 3.31Å; N433-Y452 WeakPolarHBondContact ND2-CE1 3.39Å; N433-C457 PolarHBondContact ND2-O 2.8Å
434G82.6Confident83.1Confident73 Ų7367.4 Ų67.475%0.75340%0.404SS*.THydrogen-bonded Turntrans83.37.7-179.900000115.3K432K432-G434 PolarHBondContact O-N 3.19Å
435A86.9Confident83.4Confident16 Ų1671.2 Ų71.213%0.13241%0.413CS..PPolyproline II helixtrans-64.7143.3177.600000113.6C431 K432 Y447 C457C431-A435 HydrophobicContact CB-CB 3.97Å; K432-A435 WeakPolarHBondContact O-CB 3.04Å; K432-A435 PolarHBondContact O-N 2.87Å; A435-Y447 VanDerWaalsContact CA-O 3.29Å; A435-Y447 WeakPolarHBondContact CA-O 3.49Å; A435-Y447 VanDerWaalsContact CB-O 3.24Å; A435-Y447 WeakPolarHBondContact CB-O 3.48Å; A435-C457 HydrophobicContact CB-CB 3.65Å; A435-C457 WeakPolarHBondContact CB-SG 3.01Å
436T89.7Confident83.9Confident81 Ų8169.9 Ų69.950%0.49741%0.409SS..EExtended strand (participates in β ladder)trans-85.5129.2-178.6-55.50000110.7F438 C446 Y447T436-F438 HydrophobicContact CG2-CD2 4.2Å; T436-F438 HydrophobicContact CG2-CE2 3.57Å; T436-F438 HydrophobicContact CG2-CZ 4.29Å; T436-C446 WeakPolarHBondContact O-CA 3.47Å; T436-Y447 PolarHBondContact N-O 3.32Å; T436-Y447 PolarHBondContact O-N 3.12Å
437C89.6Confident84.1Confident36 Ų3674.8 Ų74.824%0.24343%0.425CS..EExtended strand (participates in β ladder)trans-94.6138.8179.3-168.50000112.1C426 C431C426-C437 WeakPolarHBondContact CA-SG 3.06Å; C426-C437 HydrophobicContact CB-CB 3.75Å; C426-C437 WeakPolarHBondContact CB-SG 3.46Å; C426-C437 WeakPolarHBondContact SG-CB 3.45Å; C426-C437 CovalentContact SG-SG 2.04Å; C426-C437 PolarHBondContact SG-SG 2.82Å; C431-C437 HydrophobicContact CB-CB 4.46Å; C431-C437 WeakPolarHBondContact SG-CB 3.48Å; C431-C437 VanDerWaalsContact SG-SG 3.69Å
438F86.5Confident84.2Confident115 Ų11570.5 Ų70.550%0.50441%0.406SS..EExtended strand (participates in β ladder)trans-128.8132.6165.4-70.6-101.5000109.8C426 T436 R445 Y447C426-F438 PolarHBondContact SG-N 3.23Å; C426-F438 VanDerWaalsContact SG-N 3.36Å; T436-F438 HydrophobicContact CG2-CD2 4.2Å; T436-F438 HydrophobicContact CG2-CE2 3.57Å; T436-F438 HydrophobicContact CG2-CZ 4.29Å; F438-R445 PolarHBondContact N-O 3.07Å; F438-R445 PolarHBondContact O-N 3.09Å; F438-Y447 AromaticContact CD2-CD2 3.49Å; F438-Y447 HydrophobicContact CD2-CD2 3.49Å; F438-Y447 VanDerWaalsContact CD2-CD2 3.49Å; F438-Y447 AromaticContact CD2-CE2 3.48Å; F438-Y447 HydrophobicContact CD2-CE2 3.48Å; F438-Y447 VanDerWaalsContact CD2-CE2 3.48Å; F438-Y447 AromaticContact CE2-CD2 3.63Å; F438-Y447 HydrophobicContact CE2-CD2 3.63Å; F438-Y447 AromaticContact CE2-CE2 3.78Å; F438-Y447 HydrophobicContact CE2-CE2 3.78Å; F438-Y447 HydrophobicContact CG-CE2 4.2Å
439S80.9Confident84.3Confident35 Ų3568.7 Ų68.725%0.24539%0.393CS..EExtended strand (participates in β ladder)trans-73.6140.9172.4-167.20000110.3V423 H425 C426V423-S439 PolarHBondContact O-OG 3.11Å; H425-S439 PolarHBondContact N-OG 2.99Å; H425-S439 VanDerWaalsContact N-OG 3.16Å; H425-S439 PolarHBondContact ND1-OG 3.1Å; C426-S439 PolarHBondContact SG-N 3.15Å; C426-S439 VanDerWaalsContact SG-N 3.37Å
440S77.7Confident83.9Confident40 Ų4070.2 Ų70.228%0.2840%0.4SS..EExtended strand (participates in β ladder)trans-139165.2174.681.20000110.9H425 A442 G443H425-S440 PolarHBondContact CE1-O 2.82Å; H425-S440 PolarHBondContact ND1-O 2.97Å; S440-A442 PolarHBondContact O-N 3.2Å; S440-A442 VanDerWaalsContact O-N 3.13Å; S440-A442 PolarHBondContact OG-N 3.04Å; S440-G443 WeakPolarHBondContact CB-O 3.02Å; S440-G443 PolarHBondContact N-O 3.1Å; S440-G443 PolarHBondContact O-N 2.91Å; S440-G443 PolarHBondContact OG-O 3.38Å
441L72.7Confident83.2Confident100 Ų10071.1 Ų71.152%0.52441%0.412SS..THydrogen-bonded Turntrans-60-20.2175.6-69.5167.5000113.7Y414 L422Y414-L441 HydrophobicContact CD2-CD2 4.06Å; Y414-L441 HydrophobicContact CE2-CD2 3.34Å; L422-L441 HydrophobicContact CD1-CD2 3.49Å; L422-L441 VanDerWaalsContact CD1-CD2 3.49Å; L422-L441 HydrophobicContact CD1-CG 4.21Å
442A72.6Confident82.9Confident106 Ų10674 Ų7488%0.87642%0.421SS*.THydrogen-bonded Turntrans-98.19.2176.700000113.4S440S440-A442 PolarHBondContact O-N 3.2Å; S440-A442 VanDerWaalsContact O-N 3.13Å; S440-A442 PolarHBondContact OG-N 3.04Å
443G77.6Confident82.6Confident11 Ų1173.7 Ų73.711%0.11342%0.421CS..EExtended strand (participates in β ladder)trans109.1-168.9-175.800000113.8S440S440-G443 WeakPolarHBondContact CB-O 3.02Å; S440-G443 PolarHBondContact N-O 3.1Å; S440-G443 PolarHBondContact O-N 2.91Å; S440-G443 PolarHBondContact OG-O 3.38Å
444P83.3Confident82.5Confident55 Ų5571.4 Ų71.436%0.35742%0.416SS..EExtended strand (participates in β ladder)trans-74132.8179.929.1-29.7000111.2H425 P430H425-P444 HydrophobicContact CB-CB 3.67Å; H425-P444 HydrophobicContact CB-CG 3.98Å; P430-P444 HydrophobicContact CB-CB 4.42Å; P430-P444 HydrophobicContact CB-CG 4.24Å; P430-P444 HydrophobicContact CG-CB 3.55Å; P430-P444 HydrophobicContact CG-CG 3.87Å
445R86.9Confident82.6Confident154 Ų15472.1 Ų72.158%0.58142%0.415SS*.EExtended strand (participates in β ladder)trans-112.2124175.2-170.7175.3-176.7125.70.1110F438F438-R445 PolarHBondContact N-O 3.07Å; F438-R445 PolarHBondContact O-N 3.09Å
446C89.8Confident82.6Confident20 Ų2073.7 Ų73.714%0.13542%0.423CS..EExtended strand (participates in β ladder)trans-99.6133178.6-57.40000111.1C431 T436C431-C446 WeakPolarHBondContact CA-SG 3.4Å; C431-C446 HydrophobicContact CB-CB 3.78Å; C431-C446 WeakPolarHBondContact CB-SG 3.32Å; C431-C446 WeakPolarHBondContact SG-CA 3.48Å; C431-C446 WeakPolarHBondContact SG-CB 3.45Å; C431-C446 CovalentContact SG-SG 2.03Å; C431-C446 PolarHBondContact SG-SG 3.48Å; T436-C446 WeakPolarHBondContact O-CA 3.47Å
447Y88.4Confident82.5Confident128 Ų12869.8 Ų69.850%0.50240%0.399SS..EExtended strand (participates in β ladder)trans-99.4111.6165.2-68.4-77000109.2A435 T436 F438A435-Y447 VanDerWaalsContact CA-O 3.29Å; A435-Y447 WeakPolarHBondContact CA-O 3.49Å; A435-Y447 VanDerWaalsContact CB-O 3.24Å; A435-Y447 WeakPolarHBondContact CB-O 3.48Å; T436-Y447 PolarHBondContact N-O 3.32Å; T436-Y447 PolarHBondContact O-N 3.12Å; F438-Y447 AromaticContact CD2-CD2 3.49Å; F438-Y447 HydrophobicContact CD2-CD2 3.49Å; F438-Y447 VanDerWaalsContact CD2-CD2 3.49Å; F438-Y447 AromaticContact CD2-CE2 3.48Å; F438-Y447 HydrophobicContact CD2-CE2 3.48Å; F438-Y447 VanDerWaalsContact CD2-CE2 3.48Å; F438-Y447 AromaticContact CE2-CD2 3.63Å; F438-Y447 HydrophobicContact CE2-CD2 3.63Å; F438-Y447 AromaticContact CE2-CE2 3.78Å; F438-Y447 HydrophobicContact CE2-CE2 3.78Å; F438-Y447 HydrophobicContact CG-CE2 4.2Å
448C87.3Confident82.3Confident49 Ų4971.9 Ų71.933%0.33141%0.406SS..PPolyproline II helixtrans-77.1141.7-175.6-49.90000111.7Y452 C457C448-Y452 VanDerWaalsContact CB-O 3.23Å; C448-Y452 WeakPolarHBondContact CB-O 3.37Å; C448-C457 WeakPolarHBondContact CA-SG 3.17Å; C448-C457 HydrophobicContact CB-CB 3.68Å; C448-C457 WeakPolarHBondContact CB-SG 3.01Å; C448-C457 PolarHBondContact N-SG 2.03Å; C448-C457 VanDerWaalsContact N-SG 3.42Å; C448-C457 VanDerWaalsContact SG-CA 3.5Å; C448-C457 WeakPolarHBondContact SG-CB 3.03Å; C448-C457 CovalentContact SG-SG 2.03Å; C448-C457 PolarHBondContact SG-SG 3.03Å
449P82.9Confident82Confident50 Ų5070.8 Ų70.833%0.32540%0.402SS..PPolyproline II helixtrans-70.6164.7166.432.1-33.5000110.5N433 G451 Y452N433-P449 WeakPolarHBondContact O-CG 3.36Å; P449-G451 PolarHBondContact O-N 3.06Å; P449-Y452 HydrophobicContact CG-CD2 4.05Å; P449-Y452 PolarHBondContact O-N 2.92Å
450E77.5Confident81.8Confident185 Ų18576.9 Ų76.986%0.86442%0.424SS*.THydrogen-bonded Turntrans-54.1137.8179.6-63.4-175.8157.900112
451G72.6Confident81.6Confident39 Ų3977.1 Ų77.140%0.40242%0.424SS..THydrogen-bonded Turntrans81.76.9-17600000115.6P449 V461P449-G451 PolarHBondContact O-N 3.06Å; G451-V461 PolarHBondContact O-N 3.03Å
452Y82.3Confident81.7Confident80 Ų8077.2 Ų77.231%0.31443%0.425SS..EExtended strand (participates in β ladder)trans-128.1144.6175.4-69.4-89.5000113.4N433 C448 P449 Q459 K460N433-Y452 HydrophobicContact CB-CD1 3.75Å; N433-Y452 HydrophobicContact CB-CD2 4.36Å; N433-Y452 HydrophobicContact CB-CE1 3.69Å; N433-Y452 HydrophobicContact CB-CE2 4.31Å; N433-Y452 HydrophobicContact CB-CG 4.08Å; N433-Y452 VanDerWaalsContact ND2-CD1 3.33Å; N433-Y452 WeakPolarHBondContact ND2-CD1 3.31Å; N433-Y452 VanDerWaalsContact ND2-CE1 3.31Å; N433-Y452 WeakPolarHBondContact ND2-CE1 3.39Å; C448-Y452 VanDerWaalsContact CB-O 3.23Å; C448-Y452 WeakPolarHBondContact CB-O 3.37Å; P449-Y452 HydrophobicContact CG-CD2 4.05Å; P449-Y452 PolarHBondContact O-N 2.92Å; Y452-Q459 CarbonylContact C-O 3.55Å; Y452-Q459 VanDerWaalsContact CA-O 3.31Å; Y452-Q459 WeakPolarHBondContact CA-O 3.39Å; Y452-K460 HydrophobicContact CD1-CB 4.37Å; Y452-K460 HydrophobicContact CE1-CB 4.05Å; Y452-K460 HydrophobicContact CE1-CG 4.36Å
453Q82.5Confident81.7Confident96 Ų9673.8 Ų73.845%0.44939%0.393SS..EExtended strand (participates in β ladder)trans-141.7178.1179.773.6177.823.800111.7C457 E458 Q459 V461Q453-C457 CarbonylContact O-C 3.3Å; Q453-C457 VanDerWaalsContact O-C 3.3Å; Q453-C457 VanDerWaalsContact O-CA 3.3Å; Q453-C457 WeakPolarHBondContact O-CA 3.42Å; Q453-E458 PolarHBondContact O-N 3.33Å; Q453-Q459 HydrophobicContact CG-CB 3.7Å; Q453-Q459 PolarHBondContact N-O 2.84Å; Q453-Q459 WeakPolarHBondContact O-CB 3.27Å; Q453-Q459 PolarHBondContact O-N 2.84Å; Q453-V461 HydrophobicContact CB-CG2 3.83Å; Q453-V461 HydrophobicContact CG-CG2 3.87Å
454G82.5Confident81.9Confident31 Ų3174.4 Ų74.432%0.3240%0.396SS..SBendtrans96.7163.4-177.900000113T456 C457 E458G454-T456 PolarHBondContact O-N 2.77Å; G454-C457 PolarHBondContact O-N 2.84Å; G454-E458 WeakPolarHBondContact CA-OE1 3.25Å
455A83.9Confident81.7Confident88 Ų8874.7 Ų74.773%0.72741%0.409SS*.THydrogen-bonded Turntrans-64.1-25.4-171.200000113.5E458A455-E458 PolarHBondContact N-OE2 3.29Å
456T87.8Confident81.3Confident48 Ų4872 Ų7229%0.29441%0.413SS..THydrogen-bonded Turntrans-113.713.5173.755.50000112.8P430 K432 G454 E458P430-T456 HydrophobicContact CB-CG2 4.48Å; K432-T456 PolarHBondContact N-O 2.74Å; G454-T456 PolarHBondContact O-N 2.77Å; T456-E458 VanDerWaalsContact CA-OE2 3.31Å; T456-E458 WeakPolarHBondContact CA-OE2 3.49Å; T456-E458 PolarHBondContact N-OE2 3.26Å; T456-E458 PolarHBondContact O-N 3.19Å; T456-E458 PolarHBondContact OG1-OE2 2.9Å
457C87.5Confident80.8Confident0 Ų075.7 Ų75.70%044%0.439CS..SBendtrans58.629.8-173.8-500000113.3N433 A435 C448 Q453 G454N433-C457 PolarHBondContact ND2-O 2.8Å; A435-C457 HydrophobicContact CB-CB 3.65Å; A435-C457 WeakPolarHBondContact CB-SG 3.01Å; C448-C457 WeakPolarHBondContact CA-SG 3.17Å; C448-C457 HydrophobicContact CB-CB 3.68Å; C448-C457 WeakPolarHBondContact CB-SG 3.01Å; C448-C457 PolarHBondContact N-SG 2.03Å; C448-C457 VanDerWaalsContact N-SG 3.42Å; C448-C457 VanDerWaalsContact SG-CA 3.5Å; C448-C457 WeakPolarHBondContact SG-CB 3.03Å; C448-C457 CovalentContact SG-SG 2.03Å; C448-C457 PolarHBondContact SG-SG 3.03Å; Q453-C457 CarbonylContact O-C 3.3Å; Q453-C457 VanDerWaalsContact O-C 3.3Å; Q453-C457 VanDerWaalsContact O-CA 3.3Å; Q453-C457 WeakPolarHBondContact O-CA 3.42Å; G454-C457 PolarHBondContact O-N 2.84Å
458E85.1Confident80.7Confident80 Ų8070.6 Ų70.637%0.37442%0.422SS..  trans-77.6-25.4-174.171.1-65.3156.100113.8Q453 G454 A455 T456Q453-E458 PolarHBondContact O-N 3.33Å; G454-E458 WeakPolarHBondContact CA-OE1 3.25Å; A455-E458 PolarHBondContact N-OE2 3.29Å; T456-E458 VanDerWaalsContact CA-OE2 3.31Å; T456-E458 WeakPolarHBondContact CA-OE2 3.49Å; T456-E458 PolarHBondContact N-OE2 3.26Å; T456-E458 PolarHBondContact O-N 3.19Å; T456-E458 PolarHBondContact OG1-OE2 2.9Å
459Q81.3Confident80.8Confident92 Ų9269 Ų6943%0.4341%0.411SS..EExtended strand (participates in β ladder)trans-90.7126.8-177.7-61.6165.842.300109.7Y452 Q453Y452-Q459 CarbonylContact C-O 3.55Å; Y452-Q459 VanDerWaalsContact CA-O 3.31Å; Y452-Q459 WeakPolarHBondContact CA-O 3.39Å; Q453-Q459 HydrophobicContact CG-CB 3.7Å; Q453-Q459 PolarHBondContact N-O 2.84Å; Q453-Q459 WeakPolarHBondContact O-CB 3.27Å; Q453-Q459 PolarHBondContact O-N 2.84Å
460K74.8Confident81Confident162 Ų16271.5 Ų71.570%0.70442%0.418SS*.EExtended strand (participates in β ladder)trans-73.6128.3162.7-171.4-173.9175.9-170.40108.2Y452 D462Y452-K460 HydrophobicContact CD1-CB 4.37Å; Y452-K460 HydrophobicContact CE1-CB 4.05Å; Y452-K460 HydrophobicContact CE1-CG 4.36Å; K460-D462 PolarHBondContact O-N 3.07Å
461V74.8Confident81.3Confident45 Ų4566.1 Ų66.127%0.27340%0.395SS..PPolyproline II helixtrans-67.4125.8172.4179.70000108.4G451 Q453 P463G451-V461 PolarHBondContact O-N 3.03Å; Q453-V461 HydrophobicContact CB-CG2 3.83Å; Q453-V461 HydrophobicContact CG-CG2 3.87Å; V461-P463 WeakPolarHBondContact O-CD 3.49Å
462D73.6Confident82Confident102 Ų10271.2 Ų71.255%0.54541%0.413SS..  trans-84.3108.6160.9178.63.4000107.9K460 C464 G465K460-D462 PolarHBondContact O-N 3.07Å; D462-C464 PolarHBondContact O-N 3.45Å; D462-C464 WeakPolarHBondContact OD1-CB 3.45Å; D462-C464 PolarHBondContact OD1-N 3.09Å; D462-G465 PolarHBondContact O-N 3.31Å
463P73.2Confident82.2Confident34 Ų3468 Ų6822%0.22141%0.405CS..THydrogen-bonded Turntrans-71.1-9.5-177.934.8-38.9000112.4V461 P468 F485V461-P463 WeakPolarHBondContact O-CD 3.49Å; P463-P468 WeakPolarHBondContact O-CG 3.47Å; P463-F485 HydrophobicContact CB-CB 3.97Å; P463-F485 HydrophobicContact CB-CD1 4.11Å; P463-F485 HydrophobicContact CB-CG 4.48Å; P463-F485 HydrophobicContact CG-CB 4.03Å
464C82.2Confident82.5Confident25 Ų2568.1 Ų68.117%0.16941%0.412CS..THydrogen-bonded Turntrans-91.6-10.8170.8-69.10000113.9D462 S466 S467 C475 Y476D462-C464 PolarHBondContact O-N 3.45Å; D462-C464 WeakPolarHBondContact OD1-CB 3.45Å; D462-C464 PolarHBondContact OD1-N 3.09Å; C464-S466 PolarHBondContact O-N 3.06Å; C464-S466 VanDerWaalsContact O-N 3.14Å; C464-S467 PolarHBondContact O-N 3.49Å; C464-C475 WeakPolarHBondContact CA-SG 3.21Å; C464-C475 HydrophobicContact CB-CB 3.7Å; C464-C475 WeakPolarHBondContact CB-SG 3.26Å; C464-C475 VanDerWaalsContact SG-C 3.51Å; C464-C475 WeakPolarHBondContact SG-CB 3.3Å; C464-C475 CovalentContact SG-SG 2.04Å; C464-C475 PolarHBondContact SG-SG 3.12Å; C464-Y476 VanDerWaalsContact SG-C 3.52Å; C464-Y476 PolarHBondContact SG-N 3.04Å; C464-Y476 VanDerWaalsContact SG-N 3.42Å
465G78.4Confident82.8Confident60 Ų6068.3 Ų68.362%0.61941%0.408SS*.THydrogen-bonded Turntrans-63.2-21.3-175.200000114.7D462D462-G465 PolarHBondContact O-N 3.31Å
466S78.2Confident82.9Confident97 Ų9769.3 Ų69.368%0.67839%0.394SS*.THydrogen-bonded Turntrans-87.3-0.1174.353.80000114.3C464C464-S466 PolarHBondContact O-N 3.06Å; C464-S466 VanDerWaalsContact O-N 3.14Å
467S81.2Confident82.3Confident98 Ų9869.3 Ų69.369%0.68540%0.404SS*.  trans51.656.9-170.6-55.80000113.9C464 C469C464-S467 PolarHBondContact O-N 3.49Å; S467-C469 PolarHBondContact O-N 3.07Å
468P84.6Confident81.5Confident21 Ų2177.6 Ų77.614%0.13644%0.442CS..  trans-71.6-1.6-173.133.5-39.8000115P463 F485 T497P463-P468 WeakPolarHBondContact O-CG 3.47Å; P468-F485 HydrophobicContact CB-CD2 4.31Å; P468-F485 HydrophobicContact CB-CE1 4.25Å; P468-F485 HydrophobicContact CB-CE2 3.74Å; P468-F485 HydrophobicContact CB-CZ 3.7Å; P468-F485 HydrophobicContact CG-CD1 4.34Å; P468-F485 HydrophobicContact CG-CD2 3.71Å; P468-F485 HydrophobicContact CG-CE1 4.29Å; P468-F485 HydrophobicContact CG-CE2 3.66Å; P468-F485 HydrophobicContact CG-CG 4.08Å; P468-F485 HydrophobicContact CG-CZ 3.97Å; P468-T497 WeakPolarHBondContact O-CB 3.3Å
469C89.1Confident80.6Confident15 Ų1574.5 Ų74.510%0.10143%0.432CS..  trans-97.4112.1179.9-530000110.4S467 G473 C475 C487S467-C469 PolarHBondContact O-N 3.07Å; C469-G473 VanDerWaalsContact CB-O 3.29Å; C469-G473 WeakPolarHBondContact CB-O 3.3Å; C469-C475 WeakPolarHBondContact SG-CA 3.27Å; C469-C475 WeakPolarHBondContact SG-CB 3.35Å; C469-C487 WeakPolarHBondContact CA-SG 3.42Å; C469-C487 HydrophobicContact CB-CB 3.78Å; C469-C487 WeakPolarHBondContact CB-SG 3.43Å; C469-C487 VanDerWaalsContact SG-CA 3.55Å; C469-C487 WeakPolarHBondContact SG-CB 3.44Å; C469-C487 CovalentContact SG-SG 2.03Å; C469-C487 PolarHBondContact SG-SG 3.07Å
470H87.7Confident79.5Confident104 Ų10476 Ų7648%0.48145%0.45SS..  trans-75.8173.5177.6-61.3-85.2000111.9N472 G473 T497 A499H470-N472 PolarHBondContact O-N 3.2Å; H470-N472 VanDerWaalsContact O-N 3.12Å; H470-G473 PolarHBondContact O-N 2.82Å; H470-T497 PolarHBondContact CD2-O 2.83Å; H470-T497 PolarHBondContact N-O 2.99Å; H470-A499 HydrophobicContact CB-CB 4.33Å
471N85.2Confident78.8Confident71 Ų7171 Ų7138%0.3844%0.444SS..THydrogen-bonded Turntrans5435.5171.9-58.7-54000114.4G473 T490 F493 C498N471-G473 PolarHBondContact O-N 2.04Å; N471-T490 WeakPolarHBondContact O-CG2 3.04Å; N471-T490 PolarHBondContact O-OG1 3.29Å; N471-F493 HydrophobicContact CB-CD1 3.69Å; N471-F493 HydrophobicContact CB-CD2 3.84Å; N471-F493 HydrophobicContact CB-CE1 3.73Å; N471-F493 HydrophobicContact CB-CE2 3.89Å; N471-F493 HydrophobicContact CB-CG 3.74Å; N471-F493 HydrophobicContact CB-CZ 3.82Å; N471-F493 VanDerWaalsContact CG-CD1 3.46Å; N471-F493 WeakPolarHBondContact ND2-CD1 3.42Å; N471-F493 VanDerWaalsContact ND2-CE1 3.3Å; N471-F493 WeakPolarHBondContact ND2-CE1 3.36Å; N471-C498 PolarHBondContact ND2-O 3.1Å
472N85.9Confident78.1Confident146 Ų14675 Ų7578%0.78147%0.471SS*.THydrogen-bonded Turntrans61.128.3-179.6-159.974.8000113.9H470 T490H470-N472 PolarHBondContact O-N 3.2Å; H470-N472 VanDerWaalsContact O-N 3.12Å; N472-T490 HydrophobicContact CB-CG2 4.37Å; N472-T490 VanDerWaalsContact O-CG2 3.31Å; N472-T490 WeakPolarHBondContact O-CG2 3.03Å
473G87.2Confident77.5Confident13 Ų1374.8 Ų74.813%0.13447%0.469CS..PPolyproline II helixtrans-73.1148.9171.100000113C469 H470 N471 S488C469-G473 VanDerWaalsContact CB-O 3.29Å; C469-G473 WeakPolarHBondContact CB-O 3.3Å; H470-G473 PolarHBondContact O-N 2.82Å; N471-G473 PolarHBondContact O-N 2.04Å; G473-S488 CarbonylContact C-O 3.48Å; G473-S488 WeakPolarHBondContact CA-O 3.29Å
474T89.1Confident77.5Confident98 Ų9874.9 Ų74.960%0.60148%0.477SS*.EExtended strand (participates in β ladder)trans-90.3121.3-175.3-50.60000111S488T474-S488 PolarHBondContact N-O 2.84Å; T474-S488 PolarHBondContact O-N 2.03Å
475C88.3Confident77.4Confident36 Ų3675.1 Ų75.124%0.24348%0.475CS..EExtended strand (participates in β ladder)trans-80.3143.1176.7-166.50000112.7C464 C469C464-C475 WeakPolarHBondContact CA-SG 3.21Å; C464-C475 HydrophobicContact CB-CB 3.7Å; C464-C475 WeakPolarHBondContact CB-SG 3.26Å; C464-C475 VanDerWaalsContact SG-C 3.51Å; C464-C475 WeakPolarHBondContact SG-CB 3.3Å; C464-C475 CovalentContact SG-SG 2.04Å; C464-C475 PolarHBondContact SG-SG 3.12Å; C469-C475 WeakPolarHBondContact SG-CA 3.27Å; C469-C475 WeakPolarHBondContact SG-CB 3.35Å
476Y86.6Confident77.7Confident108 Ų10872.6 Ų72.642%0.42445%0.449SS..EExtended strand (participates in β ladder)trans-137.7130.5167.456.5-85.1000110.7C464 Q478 F485 G486C464-Y476 VanDerWaalsContact SG-C 3.52Å; C464-Y476 PolarHBondContact SG-N 3.04Å; C464-Y476 VanDerWaalsContact SG-N 3.42Å; Y476-Q478 PolarHBondContact O-N 2.73Å; Y476-F485 CarbonylContact O-C 3.56Å; Y476-F485 WeakPolarHBondContact O-CA 3.47Å; Y476-G486 VanDerWaalsContact CD1-O 3.31Å; Y476-G486 WeakPolarHBondContact CD1-O 3.18Å; Y476-G486 VanDerWaalsContact CE1-C 3.45Å; Y476-G486 PolarHBondContact N-O 3.39Å; Y476-G486 PolarHBondContact O-N 3.12Å
477G75.3Confident78.2Confident48 Ų4868.8 Ų68.850%0.49542%0.422SS..SBendtrans-77.241.5-175.100000114.9G484G477-G484 CarbonylContact C-O 3.56Å
478Q70Confident78.5Confident175 Ų17567.5 Ų67.582%0.81841%0.413SS*.  trans-153.251.7-176.6-161.2165.8-3.600111.1Y476 G484Y476-Q478 PolarHBondContact O-N 2.73Å; Q478-G484 PolarHBondContact N-O 3.21Å
479G66.7Low78.6Confident15 Ų1568.7 Ų68.716%0.15542%0.421CS..  trans-90.2156.3179.500000114G484G479-G484 PolarHBondContact N-O 3.49Å
480P57.6Low78.5Confident124 Ų12470.2 Ų70.281%0.80543%0.43SS*.SBendtrans-75.7134.9174.931.1-33.9000111.9
481G59.7Low78.1Confident56 Ų5669 Ų6958%0.57744%0.438SS*.SBendtrans104-174.8177.100000114.2L483G481-L483 PolarHBondContact O-N 3.34Å; G481-L483 VanDerWaalsContact O-N 3.11Å
482P59.6Low77.6Confident130 Ų13066.1 Ų66.184%0.84443%0.425SS*.THydrogen-bonded Turntrans-73.8-0.6-169.330.9-37.2000114.8
483L61.2Low77.5Confident96 Ų9662 Ų6250%0.50340%0.4SS..THydrogen-bonded Turntrans-87.1-20.1-176.7-64.8174.5000113.6G481 F485G481-L483 PolarHBondContact O-N 3.34Å; G481-L483 VanDerWaalsContact O-N 3.11Å; L483-F485 HydrophobicContact CB-CD1 4.13Å; L483-F485 HydrophobicContact CB-CE1 3.9Å; L483-F485 HydrophobicContact CB-CZ 4.45Å; L483-F485 HydrophobicContact CD1-CZ 4.41Å; L483-F485 VanDerWaalsContact O-CD1 3.26Å; L483-F485 WeakPolarHBondContact O-CD1 3.48Å; L483-F485 PolarHBondContact O-N 2.79Å
484G73.3Confident77.4Confident37 Ų3764.3 Ų64.338%0.38141%0.412SS..SBendtrans71.4-18.1179.900000116.3G477 Q478 G479G477-G484 CarbonylContact C-O 3.56Å; Q478-G484 PolarHBondContact N-O 3.21Å; G479-G484 PolarHBondContact N-O 3.49Å
485F80.4Confident77Confident29 Ų2960.7 Ų60.713%0.12739%0.394CS..  trans-113.2159.9170.769.6-86000112.1P463 P468 Y476 L483 T497P463-F485 HydrophobicContact CB-CB 3.97Å; P463-F485 HydrophobicContact CB-CD1 4.11Å; P463-F485 HydrophobicContact CB-CG 4.48Å; P463-F485 HydrophobicContact CG-CB 4.03Å; P468-F485 HydrophobicContact CB-CD2 4.31Å; P468-F485 HydrophobicContact CB-CE1 4.25Å; P468-F485 HydrophobicContact CB-CE2 3.74Å; P468-F485 HydrophobicContact CB-CZ 3.7Å; P468-F485 HydrophobicContact CG-CD1 4.34Å; P468-F485 HydrophobicContact CG-CD2 3.71Å; P468-F485 HydrophobicContact CG-CE1 4.29Å; P468-F485 HydrophobicContact CG-CE2 3.66Å; P468-F485 HydrophobicContact CG-CG 4.08Å; P468-F485 HydrophobicContact CG-CZ 3.97Å; Y476-F485 CarbonylContact O-C 3.56Å; Y476-F485 WeakPolarHBondContact O-CA 3.47Å; L483-F485 HydrophobicContact CB-CD1 4.13Å; L483-F485 HydrophobicContact CB-CE1 3.9Å; L483-F485 HydrophobicContact CB-CZ 4.45Å; L483-F485 HydrophobicContact CD1-CZ 4.41Å; L483-F485 VanDerWaalsContact O-CD1 3.26Å; L483-F485 WeakPolarHBondContact O-CD1 3.48Å; L483-F485 PolarHBondContact O-N 2.79Å; F485-T497 HydrophobicContact CE2-CG2 4.25Å; F485-T497 HydrophobicContact CZ-CG2 4.23Å
486G85.2Confident76.7Confident7 Ų763.2 Ų63.27%0.07241%0.41CS..EExtended strand (participates in β ladder)trans-127.7158.8164.800000110.6Y476Y476-G486 VanDerWaalsContact CD1-O 3.31Å; Y476-G486 WeakPolarHBondContact CD1-O 3.18Å; Y476-G486 VanDerWaalsContact CE1-C 3.45Å; Y476-G486 PolarHBondContact N-O 3.39Å; Y476-G486 PolarHBondContact O-N 3.12Å
487C88.2Confident76.7Confident18 Ų1860 Ų6012%0.12240%0.401CS..EExtended strand (participates in β ladder)trans-119.5134.3176.4-64.80000110.2C469 P496 C498C469-C487 WeakPolarHBondContact CA-SG 3.42Å; C469-C487 HydrophobicContact CB-CB 3.78Å; C469-C487 WeakPolarHBondContact CB-SG 3.43Å; C469-C487 VanDerWaalsContact SG-CA 3.55Å; C469-C487 WeakPolarHBondContact SG-CB 3.44Å; C469-C487 CovalentContact SG-SG 2.03Å; C469-C487 PolarHBondContact SG-SG 3.07Å; C487-P496 WeakPolarHBondContact CB-O 3.31Å; C487-P496 PolarHBondContact SG-O 3.01Å; C487-P496 VanDerWaalsContact SG-O 3.39Å; C487-C498 WeakPolarHBondContact CB-SG 3.4Å
488S88.1Confident77.3Confident70 Ų7057.7 Ų57.749%0.4938%0.378SS..EExtended strand (participates in β ladder)trans-96.1113.7168.6-174.50000108.9G473 T474G473-S488 CarbonylContact C-O 3.48Å; G473-S488 WeakPolarHBondContact CA-O 3.29Å; T474-S488 PolarHBondContact N-O 2.84Å; T474-S488 PolarHBondContact O-N 2.03Å
489C86.9Confident78.1Confident47 Ų4751.8 Ų51.832%0.31836%0.359SS..PPolyproline II helixtrans-85.5146.6-168.3-56.30000113.7F493 C498C489-F493 HydrophobicContact CB-CB 4.41Å; C489-F493 WeakPolarHBondContact CB-O 3.45Å; C489-C498 WeakPolarHBondContact CA-SG 3.46Å; C489-C498 HydrophobicContact CB-CB 3.75Å; C489-C498 WeakPolarHBondContact CB-SG 3.36Å; C489-C498 WeakPolarHBondContact SG-CA 3.02Å; C489-C498 WeakPolarHBondContact SG-CB 3.06Å; C489-C498 CovalentContact SG-SG 2.04Å; C489-C498 PolarHBondContact SG-SG 3.2Å
490T85.4Confident78.8Confident47 Ų4756.8 Ų56.829%0.28838%0.379SS..PPolyproline II helixtrans-70.2152.3170.148.60000110.7N471 N472 G492 F493N471-T490 WeakPolarHBondContact O-CG2 3.04Å; N471-T490 PolarHBondContact O-OG1 3.29Å; N472-T490 HydrophobicContact CB-CG2 4.37Å; N472-T490 VanDerWaalsContact O-CG2 3.31Å; N472-T490 WeakPolarHBondContact O-CG2 3.03Å; T490-G492 PolarHBondContact O-N 3.22Å; T490-F493 PolarHBondContact O-N 3.06Å; T490-F493 VanDerWaalsContact OG1-CD2 3.26Å; T490-F493 WeakPolarHBondContact OG1-CD2 3.4Å
491A80Confident79.8Confident77 Ų7756.5 Ų56.564%0.63637%0.37SS*.THydrogen-bonded Turntrans-60.3126.1-176.400000111.4N520A491-N520 WeakPolarHBondContact CB-ND2 3.38Å
492G75.6Confident80.6Confident11 Ų1155.8 Ų55.811%0.11335%0.354CS..THydrogen-bonded Turntrans102-6.7-172.700000114.5T490 L501 V502T490-G492 PolarHBondContact O-N 3.22Å; G492-L501 WeakPolarHBondContact O-CD1 3.48Å; G492-V502 PolarHBondContact O-N 2.88Å
493F83.8Confident81.5Confident59 Ų5954 Ų5426%0.25934%0.337SS..EExtended strand (participates in β ladder)trans-121.2154.9179.6-61.6-84.7000113.5N471 C489 T490 C498 Q500 L501N471-F493 HydrophobicContact CB-CD1 3.69Å; N471-F493 HydrophobicContact CB-CD2 3.84Å; N471-F493 HydrophobicContact CB-CE1 3.73Å; N471-F493 HydrophobicContact CB-CE2 3.89Å; N471-F493 HydrophobicContact CB-CG 3.74Å; N471-F493 HydrophobicContact CB-CZ 3.82Å; N471-F493 VanDerWaalsContact CG-CD1 3.46Å; N471-F493 WeakPolarHBondContact ND2-CD1 3.42Å; N471-F493 VanDerWaalsContact ND2-CE1 3.3Å; N471-F493 WeakPolarHBondContact ND2-CE1 3.36Å; C489-F493 HydrophobicContact CB-CB 4.41Å; C489-F493 WeakPolarHBondContact CB-O 3.45Å; T490-F493 PolarHBondContact O-N 3.06Å; T490-F493 VanDerWaalsContact OG1-CD2 3.26Å; T490-F493 WeakPolarHBondContact OG1-CD2 3.4Å; F493-C498 HydrophobicContact CB-CB 4.48Å; F493-Q500 CarbonylContact C-O 3.49Å; F493-Q500 VanDerWaalsContact CA-O 3.27Å; F493-Q500 WeakPolarHBondContact CA-O 3.48Å; F493-L501 HydrophobicContact CD1-CD1 3.9Å; F493-L501 HydrophobicContact CE1-CD1 3.48Å; F493-L501 VanDerWaalsContact CE1-CD1 3.48Å; F493-L501 HydrophobicContact CZ-CD1 3.87Å
494T84.5Confident82.4Confident63 Ų6352.1 Ų52.139%0.38733%0.325SS..EExtended strand (participates in β ladder)trans-153.6-178.4-174.9-168.30000112C498 Q500 V502T494-C498 CarbonylContact O-C 3.45Å; T494-C498 VanDerWaalsContact O-CA 3.29Å; T494-C498 WeakPolarHBondContact O-CA 3.46Å; T494-Q500 HydrophobicContact CG2-CB 3.89Å; T494-Q500 PolarHBondContact N-O 3.39Å; T494-Q500 WeakPolarHBondContact O-CB 3.01Å; T494-Q500 PolarHBondContact O-N 2.9Å; T494-V502 HydrophobicContact CG2-CG2 4.08Å
495G80.8Confident83Confident21 Ų2151.1 Ų51.122%0.21631%0.312CS..SBendtrans82.9166.4-174.300000113.2T497 C498G495-T497 PolarHBondContact O-N 2.87Å; G495-T497 VanDerWaalsContact O-N 3.09Å; G495-C498 PolarHBondContact O-N 2.85Å
496P82.3Confident83.2Confident89 Ų8953 Ų5358%0.57833%0.333SS*.THydrogen-bonded Turntrans-63.5-21.3-169.525.6-35.6000114.4C487C487-P496 WeakPolarHBondContact CB-O 3.31Å; C487-P496 PolarHBondContact SG-O 3.01Å; C487-P496 VanDerWaalsContact SG-O 3.39Å
497T86.8Confident83Confident40 Ų4060.4 Ų60.425%0.24537%0.37CS..THydrogen-bonded Turntrans-116.511.1178.957.90000112.9P468 H470 F485 G495 A499P468-T497 WeakPolarHBondContact O-CB 3.3Å; H470-T497 PolarHBondContact CD2-O 2.83Å; H470-T497 PolarHBondContact N-O 2.99Å; F485-T497 HydrophobicContact CE2-CG2 4.25Å; F485-T497 HydrophobicContact CZ-CG2 4.23Å; G495-T497 PolarHBondContact O-N 2.87Å; G495-T497 VanDerWaalsContact O-N 3.09Å; T497-A499 PolarHBondContact O-N 3.08Å
498C87.6Confident82.9Confident0 Ų065.7 Ų65.70%040%0.397CS..SBendtrans56.618.4-175.5-500000115.3N471 C487 C489 F493 T494 G495N471-C498 PolarHBondContact ND2-O 3.1Å; C487-C498 WeakPolarHBondContact CB-SG 3.4Å; C489-C498 WeakPolarHBondContact CA-SG 3.46Å; C489-C498 HydrophobicContact CB-CB 3.75Å; C489-C498 WeakPolarHBondContact CB-SG 3.36Å; C489-C498 WeakPolarHBondContact SG-CA 3.02Å; C489-C498 WeakPolarHBondContact SG-CB 3.06Å; C489-C498 CovalentContact SG-SG 2.04Å; C489-C498 PolarHBondContact SG-SG 3.2Å; F493-C498 HydrophobicContact CB-CB 4.48Å; T494-C498 CarbonylContact O-C 3.45Å; T494-C498 VanDerWaalsContact O-CA 3.29Å; T494-C498 WeakPolarHBondContact O-CA 3.46Å; G495-C498 PolarHBondContact O-N 2.85Å
499A86.1Confident82.9Confident52 Ų5263.9 Ų63.943%0.4338%0.384SS..  trans-77.3-24.2-179.300000113.6H470 T497H470-A499 HydrophobicContact CB-CB 4.33Å; T497-A499 PolarHBondContact O-N 3.08Å
500Q82.3Confident83.2Confident120 Ų12062.5 Ų62.556%0.56137%0.374SS*.EExtended strand (participates in β ladder)trans-86.7140.7-176.7-62.8173-16.700110.2F493 T494F493-Q500 CarbonylContact C-O 3.49Å; F493-Q500 VanDerWaalsContact CA-O 3.27Å; F493-Q500 WeakPolarHBondContact CA-O 3.48Å; T494-Q500 HydrophobicContact CG2-CB 3.89Å; T494-Q500 PolarHBondContact N-O 3.39Å; T494-Q500 WeakPolarHBondContact O-CB 3.01Å; T494-Q500 PolarHBondContact O-N 2.9Å
501L78.3Confident83.6Confident117 Ų11763.3 Ų63.361%0.61339%0.386SS*.EExtended strand (participates in β ladder)trans-78.1145.3169-153.473.9000109.4G492 F493 D503G492-L501 WeakPolarHBondContact O-CD1 3.48Å; F493-L501 HydrophobicContact CD1-CD1 3.9Å; F493-L501 HydrophobicContact CE1-CD1 3.48Å; F493-L501 VanDerWaalsContact CE1-CD1 3.48Å; F493-L501 HydrophobicContact CZ-CD1 3.87Å; L501-D503 PolarHBondContact O-N 3.14Å; L501-D503 VanDerWaalsContact O-N 3.15Å
502V77.1Confident84.2Confident42 Ų4263.5 Ų63.526%0.25537%0.373SS..  trans-70.5108.6174.4175.80000109.2G492 T494 F504G492-V502 PolarHBondContact O-N 2.88Å; T494-V502 HydrophobicContact CG2-CG2 4.08Å; V502-F504 HydrophobicContact CB-CD2 4.33Å; V502-F504 HydrophobicContact CB-CE1 4.46Å; V502-F504 HydrophobicContact CB-CE2 3.79Å; V502-F504 HydrophobicContact CB-CZ 3.87Å; V502-F504 HydrophobicContact CG1-CD1 3.86Å; V502-F504 HydrophobicContact CG1-CD2 3.97Å; V502-F504 HydrophobicContact CG1-CE1 3.6Å; V502-F504 HydrophobicContact CG1-CE2 3.69Å; V502-F504 HydrophobicContact CG1-CG 4.04Å; V502-F504 HydrophobicContact CG1-CZ 3.5Å; V502-F504 WeakPolarHBondContact O-CD2 3.41Å; V502-F504 WeakPolarHBondContact O-CE2 3.44Å; V502-F504 PolarHBondContact O-N 3.46Å; V502-F504 VanDerWaalsContact O-N 3.09Å
503D78.7Confident85Confident92 Ų9264 Ų6449%0.49238%0.379SS..  trans-78.891.1169.4-176.618.7000111.1L501 C505 A506L501-D503 PolarHBondContact O-N 3.14Å; L501-D503 VanDerWaalsContact O-N 3.15Å; D503-C505 PolarHBondContact O-N 2.87Å; D503-C505 VanDerWaalsContact O-N 3.12Å; D503-C505 WeakPolarHBondContact OD1-CA 3.46Å; D503-C505 WeakPolarHBondContact OD1-CB 3.29Å; D503-C505 PolarHBondContact OD1-N 3.13Å; D503-A506 HydrophobicContact CB-CB 4.32Å; D503-A506 WeakPolarHBondContact O-CB 3.5Å; D503-A506 PolarHBondContact O-N 3.41Å; D503-A506 PolarHBondContact OD2-N 3.39Å
504F79.6Confident85.4Confident57 Ų5765.9 Ų65.925%0.2540%0.395CS..THydrogen-bonded Turntrans-62-11.4173.1-62.9-80.6000114.1V502 A519 N520 Y522V502-F504 HydrophobicContact CB-CD2 4.33Å; V502-F504 HydrophobicContact CB-CE1 4.46Å; V502-F504 HydrophobicContact CB-CE2 3.79Å; V502-F504 HydrophobicContact CB-CZ 3.87Å; V502-F504 HydrophobicContact CG1-CD1 3.86Å; V502-F504 HydrophobicContact CG1-CD2 3.97Å; V502-F504 HydrophobicContact CG1-CE1 3.6Å; V502-F504 HydrophobicContact CG1-CE2 3.69Å; V502-F504 HydrophobicContact CG1-CG 4.04Å; V502-F504 HydrophobicContact CG1-CZ 3.5Å; V502-F504 WeakPolarHBondContact O-CD2 3.41Å; V502-F504 WeakPolarHBondContact O-CE2 3.44Å; V502-F504 PolarHBondContact O-N 3.46Å; V502-F504 VanDerWaalsContact O-N 3.09Å; F504-A519 WeakPolarHBondContact CE2-O 3.23Å; F504-N520 WeakPolarHBondContact CZ-O 3.26Å; F504-Y522 HydrophobicContact CB-CD1 3.91Å; F504-Y522 HydrophobicContact CB-CG 4.32Å
505C86.4Confident85.8Confident16 Ų1664.1 Ų64.111%0.10839%0.385CS..THydrogen-bonded Turntrans-95.7-6.2176.9-68.50000114.3D503 L507 N508 C515 R516D503-C505 PolarHBondContact O-N 2.87Å; D503-C505 VanDerWaalsContact O-N 3.12Å; D503-C505 WeakPolarHBondContact OD1-CA 3.46Å; D503-C505 WeakPolarHBondContact OD1-CB 3.29Å; D503-C505 PolarHBondContact OD1-N 3.13Å; C505-L507 PolarHBondContact O-N 3.36Å; C505-N508 PolarHBondContact O-N 2.95Å; C505-C515 WeakPolarHBondContact CA-SG 3.49Å; C505-C515 HydrophobicContact CB-CB 3.69Å; C505-C515 WeakPolarHBondContact CB-SG 3.18Å; C505-C515 WeakPolarHBondContact SG-CB 3.09Å; C505-C515 CovalentContact SG-SG 2.04Å; C505-C515 PolarHBondContact SG-SG 3.44Å; C505-R516 PolarHBondContact SG-N 3.09Å
506A83.3Confident86.1Confident67 Ų6769.1 Ų69.155%0.55440%0.397SS*.THydrogen-bonded Turntrans-58.1-24.3-174.200000114.9D503D503-A506 HydrophobicContact CB-CB 4.32Å; D503-A506 WeakPolarHBondContact O-CB 3.5Å; D503-A506 PolarHBondContact O-N 3.41Å; D503-A506 PolarHBondContact OD2-N 3.39Å
507L81.9Confident86.2Confident164 Ų16467.5 Ų67.586%0.85939%0.388SS*.THydrogen-bonded Turntrans-91.65176.4-64.5177.8000114C505C505-L507 PolarHBondContact O-N 3.36Å
508N85.1Confident85.8Confident129 Ų12968.3 Ų68.369%0.6939%0.393SS*.  trans46.759.3-174.5-64.6-74.8000113.7C505 C510C505-N508 PolarHBondContact O-N 2.95Å; N508-C510 PolarHBondContact O-N 3.03Å
509P88.8Confident85.2Confident32 Ų3272.4 Ų72.421%0.20843%0.427CS..  trans-73.311.2-172.233.5-39.3000115Y522 Y534P509-Y522 HydrophobicContact CB-CD2 4.24Å; P509-Y522 HydrophobicContact CB-CE2 3.47Å; P509-Y522 VanDerWaalsContact CB-CE2 3.47Å; P509-Y522 HydrophobicContact CG-CD2 3.51Å; P509-Y522 HydrophobicContact CG-CE1 4.35Å; P509-Y522 HydrophobicContact CG-CE2 3.26Å; P509-Y522 HydrophobicContact CG-CG 4.15Å; P509-Y534 WeakPolarHBondContact O-CB 3.31Å; P509-Y534 VanDerWaalsContact O-CD1 3.28Å; P509-Y534 WeakPolarHBondContact O-CD1 3.26Å
510C93.3Very high84.6Confident17 Ų1774.5 Ų74.512%0.11543%0.431CS..  trans-114124.7-179.6-52.80000109.7N508 G513 C515 C524 Y534N508-C510 PolarHBondContact O-N 3.03Å; C510-G513 WeakPolarHBondContact CB-O 3.34Å; C510-C515 VanDerWaalsContact SG-CA 3.55Å; C510-C515 VanDerWaalsContact SG-CB 3.53Å; C510-C524 VanDerWaalsContact CA-SG 3.52Å; C510-C524 HydrophobicContact CB-CB 3.8Å; C510-C524 WeakPolarHBondContact CB-SG 3.46Å; C510-C524 WeakPolarHBondContact SG-CA 3.47Å; C510-C524 WeakPolarHBondContact SG-CB 3.31Å; C510-C524 CovalentContact SG-SG 2.03Å; C510-C524 PolarHBondContact SG-SG 3.18Å; C510-Y534 CarbonylContact C-O 3.38Å; C510-Y534 VanDerWaalsContact CA-O 3.32Å; C510-Y534 WeakPolarHBondContact CA-O 3.39Å
511A93.5Very high84.3Confident65 Ų6571.7 Ų71.754%0.53743%0.425SS..SBendtrans-75.6-57.2-179.500000111.9Y534A511-Y534 PolarHBondContact N-O 2.91Å
512H92.2Very high84.7Confident80 Ų8069.9 Ų69.937%0.3741%0.41SS..SBendtrans-122.254.9-179.1-50.495000111.6C526 V527 Y530 C535H512-C526 WeakPolarHBondContact O-CA 3.23Å; H512-V527 HydrophobicContact CB-CG2 4.29Å; H512-V527 PolarHBondContact O-N 3.14Å; H512-Y530 HydrophobicContact CB-CD1 3.68Å; H512-Y530 HydrophobicContact CB-CD2 3.71Å; H512-Y530 HydrophobicContact CB-CE1 3.97Å; H512-Y530 HydrophobicContact CB-CE2 3.98Å; H512-Y530 HydrophobicContact CB-CG 3.53Å; H512-Y530 AromaticContact CD2-CE1 3.77Å; H512-Y530 AromaticContact CD2-CZ 3.65Å; H512-Y530 AromaticContact CE1-CE1 3.59Å; H512-Y530 AromaticContact CG-CD1 3.57Å; H512-Y530 AromaticContact CG-CE1 3.42Å; H512-Y530 VanDerWaalsContact CG-CE1 3.42Å; H512-Y530 AromaticContact CG-CG 3.95Å; H512-Y530 AromaticContact CG-CZ 3.66Å; H512-Y530 AromaticContact ND1-CD1 3.42Å; H512-Y530 WeakPolarHBondContact ND1-CD1 3.43Å; H512-Y530 AromaticContact ND1-CE1 3.3Å; H512-Y530 VanDerWaalsContact ND1-CE1 3.3Å; H512-Y530 WeakPolarHBondContact ND1-CE1 3.47Å; H512-Y530 AromaticContact ND1-CZ 4Å; H512-Y530 AromaticContact NE2-CE1 3.88Å; H512-C535 HydrophobicContact CB-CB 4.25Å; H512-C535 WeakPolarHBondContact CB-O 3.3Å; H512-C535 PolarHBondContact N-O 3.19Å; H512-C535 PolarHBondContact ND1-O 3.19Å; H512-C535 WeakPolarHBondContact O-CB 3.47Å
513G91.8Very high85.3Confident23 Ų2373.9 Ų73.924%0.23742%0.421CS..EExtended strand (participates in β ladder)trans-169.5167.4-178.600000114.5C510 L525C510-G513 WeakPolarHBondContact CB-O 3.34Å; G513-L525 CarbonylContact C-O 3.2Å; G513-L525 WeakPolarHBondContact CA-O 3.02Å
514V92.9Very high86Confident98 Ų9870.3 Ų70.359%0.59440%0.402SS*.EExtended strand (participates in β ladder)trans-86.3122.8176.1-179.20000109.2L525V514-L525 HydrophobicContact CB-CB 4.42Å; V514-L525 PolarHBondContact N-O 3.09Å; V514-L525 WeakPolarHBondContact O-CB 3.07Å; V514-L525 PolarHBondContact O-N 3.26Å
515C92.3Very high86.7Confident26 Ų2670.8 Ų70.818%0.17641%0.407CS..EExtended strand (participates in β ladder)trans-72139.3172-171.20000110.9C505 C510C505-C515 WeakPolarHBondContact CA-SG 3.49Å; C505-C515 HydrophobicContact CB-CB 3.69Å; C505-C515 WeakPolarHBondContact CB-SG 3.18Å; C505-C515 WeakPolarHBondContact SG-CB 3.09Å; C505-C515 CovalentContact SG-SG 2.04Å; C505-C515 PolarHBondContact SG-SG 3.44Å; C510-C515 VanDerWaalsContact SG-CA 3.55Å; C510-C515 VanDerWaalsContact SG-CB 3.53Å
516R88.3Confident87.2Confident126 Ų12672.3 Ų72.348%0.47542%0.417SS..EExtended strand (participates in β ladder)trans-136123.5168.9-160.4-172.276.2-176.65.7110.6C505 Y522 R523C505-R516 PolarHBondContact SG-N 3.09Å; R516-Y522 WeakPolarHBondContact O-CA 2.98Å; R516-R523 PolarHBondContact N-O 2.88Å; R516-R523 PolarHBondContact O-N 3.08Å
517S83.4Confident87.7Confident55 Ų5572.3 Ų72.339%0.38541%0.41SS..EExtended strand (participates in β ladder)trans-62.7143168.249.70000111
518V79.9Confident88.2Confident56 Ų5669.3 Ų69.334%0.33940%0.401SS..EExtended strand (participates in β ladder)trans-146.3100.2-179.4178.70000108.3N520 S521 R523V518-N520 PolarHBondContact O-N 3.43Å; V518-S521 PolarHBondContact N-O 2.04Å; V518-S521 PolarHBondContact O-N 3.14Å; V518-S521 VanDerWaalsContact O-N 3.1Å; V518-R523 HydrophobicContact CG2-CG 3.82Å
519A73.4Confident88.5Confident87 Ų8763.3 Ų63.372%0.71937%0.37SS*.THydrogen-bonded Turntrans50.5-109.1-174.100000111.8F504F504-A519 WeakPolarHBondContact CE2-O 3.23Å
520N74.3Confident88.8Confident96 Ų9663.6 Ų63.651%0.51337%0.367SS..THydrogen-bonded Turntrans-101.120.9-174.5-61.55.4000113A491 F504 V518A491-N520 WeakPolarHBondContact CB-ND2 3.38Å; F504-N520 WeakPolarHBondContact CZ-O 3.26Å; V518-N520 PolarHBondContact O-N 3.43Å
521S76.6Confident88.7Confident61 Ų6165.7 Ų65.743%0.42738%0.375SS..EExtended strand (participates in β ladder)trans-151.7-171.5176.171.80000111.7V518V518-S521 PolarHBondContact N-O 2.04Å; V518-S521 PolarHBondContact O-N 3.14Å; V518-S521 VanDerWaalsContact O-N 3.1Å
522Y86.6Confident88.6Confident78 Ų7864.3 Ų64.331%0.30637%0.367SS..EExtended strand (participates in β ladder)trans-125.5164170.861-79.8000110.6F504 P509 R516 Y534F504-Y522 HydrophobicContact CB-CD1 3.91Å; F504-Y522 HydrophobicContact CB-CG 4.32Å; P509-Y522 HydrophobicContact CB-CD2 4.24Å; P509-Y522 HydrophobicContact CB-CE2 3.47Å; P509-Y522 VanDerWaalsContact CB-CE2 3.47Å; P509-Y522 HydrophobicContact CG-CD2 3.51Å; P509-Y522 HydrophobicContact CG-CE1 4.35Å; P509-Y522 HydrophobicContact CG-CE2 3.26Å; P509-Y522 HydrophobicContact CG-CG 4.15Å; R516-Y522 WeakPolarHBondContact O-CA 2.98Å; Y522-Y534 HydrophobicContact CE2-CD1 4.11Å; Y522-Y534 AromaticContact CE2-CE1 3.82Å; Y522-Y534 HydrophobicContact CE2-CE1 3.82Å; Y522-Y534 AromaticContact CZ-CE1 3.95Å; Y522-Y534 VanDerWaalsContact OH-CE1 3.32Å; Y522-Y534 WeakPolarHBondContact OH-CE1 3.28Å
523R89.5Confident88.5Confident127 Ų12766 Ų6648%0.47938%0.378SS..EExtended strand (participates in β ladder)trans-136.9144.1164.657.6176.3-74.2172.8-3.5109.8R516 V518 L525R516-R523 PolarHBondContact N-O 2.88Å; R516-R523 PolarHBondContact O-N 3.08Å; V518-R523 HydrophobicContact CG2-CG 3.82Å; R523-L525 VanDerWaalsContact NH2-CD2 3.34Å
524C94Very high88.5Confident16 Ų1669.2 Ų69.211%0.10838%0.384CS..EExtended strand (participates in β ladder)trans-83.7146.3168.7-58.80000110.6C510 C535C510-C524 VanDerWaalsContact CA-SG 3.52Å; C510-C524 HydrophobicContact CB-CB 3.8Å; C510-C524 WeakPolarHBondContact CB-SG 3.46Å; C510-C524 WeakPolarHBondContact SG-CA 3.47Å; C510-C524 WeakPolarHBondContact SG-CB 3.31Å; C510-C524 CovalentContact SG-SG 2.03Å; C510-C524 PolarHBondContact SG-SG 3.18Å; C524-C535 WeakPolarHBondContact CB-SG 3.41Å
525L94.1Very high88.6Confident67 Ų6764.6 Ų64.635%0.35136%0.355SS..EExtended strand (participates in β ladder)trans-114.894.5170.7-61178.3000106.9G513 V514 R523G513-L525 CarbonylContact C-O 3.2Å; G513-L525 WeakPolarHBondContact CA-O 3.02Å; V514-L525 HydrophobicContact CB-CB 4.42Å; V514-L525 PolarHBondContact N-O 3.09Å; V514-L525 WeakPolarHBondContact O-CB 3.07Å; V514-L525 PolarHBondContact O-N 3.26Å; R523-L525 VanDerWaalsContact NH2-CD2 3.34Å
526C95.6Very high88.8Confident48 Ų4867.6 Ų67.632%0.32437%0.367SS..EExtended strand (participates in β ladder)trans-65.1144.5-172.7-51.40000112.2H512 Y530 C535H512-C526 WeakPolarHBondContact O-CA 3.23Å; C526-Y530 VanDerWaalsContact CB-O 3.31Å; C526-Y530 WeakPolarHBondContact CB-O 2.98Å; C526-C535 WeakPolarHBondContact CA-SG 3.4Å; C526-C535 HydrophobicContact CB-CB 3.68Å; C526-C535 WeakPolarHBondContact CB-SG 3.05Å; C526-C535 PolarHBondContact N-SG 3.11Å; C526-C535 VanDerWaalsContact N-SG 3.38Å; C526-C535 VanDerWaalsContact SG-CA 3.52Å; C526-C535 WeakPolarHBondContact SG-CB 3.31Å; C526-C535 CovalentContact SG-SG 2.03Å; C526-C535 PolarHBondContact SG-SG 2.91Å
527V93.9Very high89Confident67 Ų6766.4 Ų66.441%0.40637%0.367SS..PPolyproline II helixtrans-70151.7167.7-52.90000109.2H512 G529 Y530H512-V527 HydrophobicContact CB-CG2 4.29Å; H512-V527 PolarHBondContact O-N 3.14Å; V527-G529 PolarHBondContact O-N 2.97Å; V527-Y530 HydrophobicContact CG2-CD2 3.54Å; V527-Y530 HydrophobicContact CG2-CE2 4.03Å; V527-Y530 HydrophobicContact CG2-CG 4.49Å; V527-Y530 PolarHBondContact O-N 2.86Å; V527-Y530 VanDerWaalsContact O-N 3.12Å
528P93.2Very high89.5Confident102 Ų10266.7 Ų66.766%0.66236%0.362SS*.THydrogen-bonded Turntrans-52.3134.2175.7-25.735.1000111.2N558P528-N558 WeakPolarHBondContact CB-OD1 3.34Å
529G90.7Very high90.1Very high3 Ų369 Ų693%0.03137%0.368CS..THydrogen-bonded Turntrans102.5-18.1-172.200000114.7V527 F539 N558V527-G529 PolarHBondContact O-N 2.97Å; G529-F539 PolarHBondContact O-N 2.99Å; G529-N558 PolarHBondContact N-OD1 3.06Å
530Y94.9Very high91Very high38 Ų3867.9 Ų67.915%0.14935%0.349CS..EExtended strand (participates in β ladder)trans-118.7151.1-176.2-66.6-93.1000114.3H512 C526 V527 E537 E538 I557H512-Y530 HydrophobicContact CB-CD1 3.68Å; H512-Y530 HydrophobicContact CB-CD2 3.71Å; H512-Y530 HydrophobicContact CB-CE1 3.97Å; H512-Y530 HydrophobicContact CB-CE2 3.98Å; H512-Y530 HydrophobicContact CB-CG 3.53Å; H512-Y530 AromaticContact CD2-CE1 3.77Å; H512-Y530 AromaticContact CD2-CZ 3.65Å; H512-Y530 AromaticContact CE1-CE1 3.59Å; H512-Y530 AromaticContact CG-CD1 3.57Å; H512-Y530 AromaticContact CG-CE1 3.42Å; H512-Y530 VanDerWaalsContact CG-CE1 3.42Å; H512-Y530 AromaticContact CG-CG 3.95Å; H512-Y530 AromaticContact CG-CZ 3.66Å; H512-Y530 AromaticContact ND1-CD1 3.42Å; H512-Y530 WeakPolarHBondContact ND1-CD1 3.43Å; H512-Y530 AromaticContact ND1-CE1 3.3Å; H512-Y530 VanDerWaalsContact ND1-CE1 3.3Å; H512-Y530 WeakPolarHBondContact ND1-CE1 3.47Å; H512-Y530 AromaticContact ND1-CZ 4Å; H512-Y530 AromaticContact NE2-CE1 3.88Å; C526-Y530 VanDerWaalsContact CB-O 3.31Å; C526-Y530 WeakPolarHBondContact CB-O 2.98Å; V527-Y530 HydrophobicContact CG2-CD2 3.54Å; V527-Y530 HydrophobicContact CG2-CE2 4.03Å; V527-Y530 HydrophobicContact CG2-CG 4.49Å; V527-Y530 PolarHBondContact O-N 2.86Å; V527-Y530 VanDerWaalsContact O-N 3.12Å; Y530-E537 CarbonylContact C-O 3.5Å; Y530-E537 VanDerWaalsContact CA-O 3.27Å; Y530-E537 WeakPolarHBondContact CA-O 3.45Å; Y530-E537 WeakPolarHBondContact CB-O 3.41Å; Y530-E537 WeakPolarHBondContact CD1-O 3.44Å; Y530-E538 HydrophobicContact CD1-CB 3.98Å; Y530-E538 HydrophobicContact CD1-CG 4.15Å; Y530-E538 HydrophobicContact CE1-CB 3.88Å; Y530-E538 HydrophobicContact CE1-CG 3.83Å; Y530-I557 HydrophobicContact CD2-CG2 4.38Å; Y530-I557 HydrophobicContact CE2-CG2 3.62Å; Y530-I557 WeakPolarHBondContact OH-CD1 3.05Å
531H92.3Very high91.9Very high60 Ų6065.5 Ų65.528%0.27834%0.335SS..EExtended strand (participates in β ladder)trans-145.5-168.2175.567.790.2000112.3C535 E536 E537 F539H531-C535 CarbonylContact O-C 3.59Å; H531-C535 VanDerWaalsContact O-CA 3.22Å; H531-C535 WeakPolarHBondContact O-CA 3.35Å; H531-E536 PolarHBondContact O-N 3.42Å; H531-E537 VanDerWaalsContact CE1-CB 3.43Å; H531-E537 WeakPolarHBondContact CE1-CB 3.48Å; H531-E537 IonicContact CE1-OE2 3.12Å; H531-E537 PolarHBondContact CE1-OE2 2.82Å; H531-E537 PolarHBondContact N-O 2.79Å; H531-E537 WeakPolarHBondContact ND1-CB 3.25Å; H531-E537 IonicContact ND1-OE2 2.67Å; H531-E537 PolarHBondContact ND1-OE2 2.89Å; H531-E537 PolarHBondContact O-N 2.94Å; H531-F539 HydrophobicContact CB-CD2 4.4Å; H531-F539 HydrophobicContact CB-CE1 4.33Å; H531-F539 HydrophobicContact CB-CE2 3.72Å; H531-F539 HydrophobicContact CB-CZ 3.68Å; H531-F539 AromaticContact CD2-CD1 3.34Å; H531-F539 WeakPolarHBondContact CD2-CD1 3.46Å; H531-F539 AromaticContact CD2-CD2 3.7Å; H531-F539 AromaticContact CD2-CE1 3.36Å; H531-F539 WeakPolarHBondContact CD2-CE1 3.2Å; H531-F539 AromaticContact CD2-CE2 3.72Å; H531-F539 AromaticContact CD2-CG 3.51Å; H531-F539 AromaticContact CD2-CZ 3.56Å; H531-F539 AromaticContact CG-CE1 3.97Å; H531-F539 AromaticContact CG-CZ 3.84Å; H531-F539 AromaticContact NE2-CD1 3.71Å; H531-F539 AromaticContact NE2-CE1 3.88Å
532G91.6Very high92.8Very high36 Ų3663.8 Ų63.837%0.37132%0.323SS..SBendtrans97.4-172.7-168.800000111.7E536G532-E536 VanDerWaalsContact C-OE2 3.29Å; G532-E536 VanDerWaalsContact CA-OE2 3.24Å; G532-E536 WeakPolarHBondContact CA-OE2 3.46Å
533L90Very high93.1Very high115 Ų11567.3 Ų67.360%0.60235%0.346SS*.SBendtrans-82.4-28.2179.8-17957.8000111.7E536L533-E536 PolarHBondContact N-OE1 3.43Å; L533-E536 PolarHBondContact N-OE2 2.04Å
534Y92.3Very high93.2Very high92 Ų9265.3 Ų65.336%0.36135%0.352SS..SBendtrans-115.45.5-174.8-53-61.6000112.7P509 C510 A511 Y522 E536P509-Y534 WeakPolarHBondContact O-CB 3.31Å; P509-Y534 VanDerWaalsContact O-CD1 3.28Å; P509-Y534 WeakPolarHBondContact O-CD1 3.26Å; C510-Y534 CarbonylContact C-O 3.38Å; C510-Y534 VanDerWaalsContact CA-O 3.32Å; C510-Y534 WeakPolarHBondContact CA-O 3.39Å; A511-Y534 PolarHBondContact N-O 2.91Å; Y522-Y534 HydrophobicContact CE2-CD1 4.11Å; Y522-Y534 AromaticContact CE2-CE1 3.82Å; Y522-Y534 HydrophobicContact CE2-CE1 3.82Å; Y522-Y534 AromaticContact CZ-CE1 3.95Å; Y522-Y534 VanDerWaalsContact OH-CE1 3.32Å; Y522-Y534 WeakPolarHBondContact OH-CE1 3.28Å; Y534-E536 VanDerWaalsContact C-N 3.29Å; Y534-E536 VanDerWaalsContact C-OE2 3.28Å; Y534-E536 VanDerWaalsContact CA-OE2 3.3Å; Y534-E536 WeakPolarHBondContact CA-OE2 3.36Å; Y534-E536 WeakPolarHBondContact CD2-OE1 3.3Å; Y534-E536 PolarHBondContact N-OE2 3.14Å
535C95.1Very high93.1Very high0 Ų068.4 Ų68.40%038%0.379CS..SBendtrans62.240.2-172.2-44.90000111.7H512 C524 C526 H531H512-C535 HydrophobicContact CB-CB 4.25Å; H512-C535 WeakPolarHBondContact CB-O 3.3Å; H512-C535 PolarHBondContact N-O 3.19Å; H512-C535 PolarHBondContact ND1-O 3.19Å; H512-C535 WeakPolarHBondContact O-CB 3.47Å; C524-C535 WeakPolarHBondContact CB-SG 3.41Å; C526-C535 WeakPolarHBondContact CA-SG 3.4Å; C526-C535 HydrophobicContact CB-CB 3.68Å; C526-C535 WeakPolarHBondContact CB-SG 3.05Å; C526-C535 PolarHBondContact N-SG 3.11Å; C526-C535 VanDerWaalsContact N-SG 3.38Å; C526-C535 VanDerWaalsContact SG-CA 3.52Å; C526-C535 WeakPolarHBondContact SG-CB 3.31Å; C526-C535 CovalentContact SG-SG 2.03Å; C526-C535 PolarHBondContact SG-SG 2.91Å; H531-C535 CarbonylContact O-C 3.59Å; H531-C535 VanDerWaalsContact O-CA 3.22Å; H531-C535 WeakPolarHBondContact O-CA 3.35Å
536E94.5Very high93.1Very high90 Ų9066.2 Ų66.242%0.42137%0.368SS..  trans-93.8-20.5-175.671.2-80.8-141.100113.1H531 G532 L533 Y534H531-E536 PolarHBondContact O-N 3.42Å; G532-E536 VanDerWaalsContact C-OE2 3.29Å; G532-E536 VanDerWaalsContact CA-OE2 3.24Å; G532-E536 WeakPolarHBondContact CA-OE2 3.46Å; L533-E536 PolarHBondContact N-OE1 3.43Å; L533-E536 PolarHBondContact N-OE2 2.04Å; Y534-E536 VanDerWaalsContact C-N 3.29Å; Y534-E536 VanDerWaalsContact C-OE2 3.28Å; Y534-E536 VanDerWaalsContact CA-OE2 3.3Å; Y534-E536 WeakPolarHBondContact CA-OE2 3.36Å; Y534-E536 WeakPolarHBondContact CD2-OE1 3.3Å; Y534-E536 PolarHBondContact N-OE2 3.14Å
537E93Very high93.1Very high100 Ų10065 Ų6547%0.46736%0.36SS..EExtended strand (participates in β ladder)trans-102149.1178.5-53.3-175.9128.200110.7Y530 H531Y530-E537 CarbonylContact C-O 3.5Å; Y530-E537 VanDerWaalsContact CA-O 3.27Å; Y530-E537 WeakPolarHBondContact CA-O 3.45Å; Y530-E537 WeakPolarHBondContact CB-O 3.41Å; Y530-E537 WeakPolarHBondContact CD1-O 3.44Å; H531-E537 VanDerWaalsContact CE1-CB 3.43Å; H531-E537 WeakPolarHBondContact CE1-CB 3.48Å; H531-E537 IonicContact CE1-OE2 3.12Å; H531-E537 PolarHBondContact CE1-OE2 2.82Å; H531-E537 PolarHBondContact N-O 2.79Å; H531-E537 WeakPolarHBondContact ND1-CB 3.25Å; H531-E537 IonicContact ND1-OE2 2.67Å; H531-E537 PolarHBondContact ND1-OE2 2.89Å; H531-E537 PolarHBondContact O-N 2.94Å
538E93.6Very high93.1Very high61 Ų6166.5 Ų66.529%0.28536%0.363SS..EExtended strand (participates in β ladder)trans-116.9140.7-179.8-165.6-94.9-156.900110.1Y530 N540 I557Y530-E538 HydrophobicContact CD1-CB 3.98Å; Y530-E538 HydrophobicContact CD1-CG 4.15Å; Y530-E538 HydrophobicContact CE1-CB 3.88Å; Y530-E538 HydrophobicContact CE1-CG 3.83Å; E538-N540 PolarHBondContact O-N 3.11Å; E538-N540 VanDerWaalsContact O-N 3.13Å; E538-N540 PolarHBondContact OE2-N 2.86Å; E538-I557 WeakPolarHBondContact OE1-CA 3.48Å
539F93.7Very high93Very high105 Ų10564.5 Ų64.546%0.46135%0.346SS..  trans-79.587.9-176.7-83.9-63.4000111.7G529 H531 E541G529-F539 PolarHBondContact O-N 2.99Å; H531-F539 HydrophobicContact CB-CD2 4.4Å; H531-F539 HydrophobicContact CB-CE1 4.33Å; H531-F539 HydrophobicContact CB-CE2 3.72Å; H531-F539 HydrophobicContact CB-CZ 3.68Å; H531-F539 AromaticContact CD2-CD1 3.34Å; H531-F539 WeakPolarHBondContact CD2-CD1 3.46Å; H531-F539 AromaticContact CD2-CD2 3.7Å; H531-F539 AromaticContact CD2-CE1 3.36Å; H531-F539 WeakPolarHBondContact CD2-CE1 3.2Å; H531-F539 AromaticContact CD2-CE2 3.72Å; H531-F539 AromaticContact CD2-CG 3.51Å; H531-F539 AromaticContact CD2-CZ 3.56Å; H531-F539 AromaticContact CG-CE1 3.97Å; H531-F539 AromaticContact CG-CZ 3.84Å; H531-F539 AromaticContact NE2-CD1 3.71Å; H531-F539 AromaticContact NE2-CE1 3.88Å; F539-E541 PolarHBondContact O-N 3.08Å
540N92.5Very high92.9Very high63 Ų6375 Ų7534%0.33739%0.387SS..  trans-58.893.8169.4-175.9-71.3000111.4E538 C542 L543 D555E538-N540 PolarHBondContact O-N 3.11Å; E538-N540 VanDerWaalsContact O-N 3.13Å; E538-N540 PolarHBondContact OE2-N 2.86Å; N540-C542 PolarHBondContact O-N 2.67Å; N540-C542 WeakPolarHBondContact OD1-CB 3.36Å; N540-C542 PolarHBondContact OD1-N 2.74Å; N540-L543 HydrophobicContact CB-CD1 4.34Å; N540-L543 HydrophobicContact CB-CG 4.16Å; N540-L543 WeakPolarHBondContact O-CB 3.45Å; N540-L543 PolarHBondContact O-N 2.99Å; N540-L543 WeakPolarHBondContact OD1-CG 3.35Å; N540-L543 PolarHBondContact OD1-N 2.85Å; N540-D555 WeakPolarHBondContact CA-OD1 3.22Å; N540-D555 WeakPolarHBondContact CA-OD2 3.47Å; N540-D555 WeakPolarHBondContact CB-OD2 3.18Å; N540-D555 VanDerWaalsContact CG-CG 3.48Å; N540-D555 PolarHBondContact ND2-OD1 3.15Å; N540-D555 PolarHBondContact ND2-OD2 3.31Å; N540-D555 PolarHBondContact OD1-OD1 2.64Å
541E93.5Very high92.9Very high46 Ų4673.8 Ų73.822%0.21539%0.385CS..G310 helixtrans-69.6-19.8179-69.6112.4163.600112.2F539 L543 S544 D555 N558 A559 Y560F539-E541 PolarHBondContact O-N 3.08Å; E541-L543 PolarHBondContact O-N 2.9Å; E541-S544 WeakPolarHBondContact O-CB 3.4Å; E541-S544 PolarHBondContact O-N 2.68Å; E541-S544 PolarHBondContact O-OG 2.79Å; E541-D555 PolarHBondContact N-OD1 3.42Å; E541-N558 VanDerWaalsContact OE1-CA 3.24Å; E541-N558 WeakPolarHBondContact OE1-CA 3.45Å; E541-A559 PolarHBondContact OE1-N 3.43Å; E541-A559 VanDerWaalsContact OE2-C 3.24Å; E541-A559 WeakPolarHBondContact OE2-CA 3.49Å; E541-A559 PolarHBondContact OE2-N 2.73Å; E541-Y560 HydrophobicContact CB-CD1 3.71Å; E541-Y560 HydrophobicContact CB-CE1 4.48Å; E541-Y560 HydrophobicContact CG-CD1 4.48Å
542C94.5Very high93Very high25 Ų2575.5 Ų75.517%0.16940%0.4CS..G310 helixtrans-62.7-21.2174-72.90000113.8N540 S544 A545 C553 R554 D555N540-C542 PolarHBondContact O-N 2.67Å; N540-C542 WeakPolarHBondContact OD1-CB 3.36Å; N540-C542 PolarHBondContact OD1-N 2.74Å; C542-S544 PolarHBondContact O-N 3.47Å; C542-A545 PolarHBondContact O-N 3.11Å; C542-C553 WeakPolarHBondContact CA-SG 3.43Å; C542-C553 HydrophobicContact CB-CB 3.81Å; C542-C553 WeakPolarHBondContact CB-SG 3.48Å; C542-C553 VanDerWaalsContact SG-C 3.54Å; C542-C553 WeakPolarHBondContact SG-CB 3.36Å; C542-C553 CovalentContact SG-SG 2.04Å; C542-C553 PolarHBondContact SG-SG 2.83Å; C542-R554 VanDerWaalsContact SG-C 3.56Å; C542-D555 WeakPolarHBondContact CB-OD1 3.46Å; C542-D555 PolarHBondContact N-OD1 2.75Å; C542-D555 PolarHBondContact SG-N 3.42Å; C542-D555 VanDerWaalsContact SG-N 3.43Å; C542-D555 PolarHBondContact SG-OD1 2.87Å
543L93.3Very high93.2Very high152 Ų15275.5 Ų75.580%0.79639%0.394SS*.G310 helixtrans-58.8-23.8170-72.8-179.1000113.1N540 E541 A545N540-L543 HydrophobicContact CB-CD1 4.34Å; N540-L543 HydrophobicContact CB-CG 4.16Å; N540-L543 WeakPolarHBondContact O-CB 3.45Å; N540-L543 PolarHBondContact O-N 2.99Å; N540-L543 WeakPolarHBondContact OD1-CG 3.35Å; N540-L543 PolarHBondContact OD1-N 2.85Å; E541-L543 PolarHBondContact O-N 2.9Å; L543-A545 PolarHBondContact O-N 3.28Å
544S90.8Very high93.4Very high86 Ų8675.1 Ų75.160%0.60138%0.384SS*.G310 helixtrans-76.4-4.4174.771.30000114.1E541 C542 P546E541-S544 WeakPolarHBondContact O-CB 3.4Å; E541-S544 PolarHBondContact O-N 2.68Å; E541-S544 PolarHBondContact O-OG 2.79Å; C542-S544 PolarHBondContact O-N 3.47Å; S544-P546 WeakPolarHBondContact OG-CD 3.42Å
545A92.1Very high93.5Very high81 Ų8173 Ų7367%0.66938%0.379SS*.  trans4855-173.200000113.6C542 L543 C547C542-A545 PolarHBondContact O-N 3.11Å; L543-A545 PolarHBondContact O-N 3.28Å; A545-C547 VanDerWaalsContact C-N 3.28Å; A545-C547 PolarHBondContact O-N 2.86Å
546P93.9Very high93.4Very high20 Ų2076.1 Ų76.113%0.1340%0.396CS..  trans-72.3-21.2-171.230.4-34.8000113.5S544 Y560 H572S544-P546 WeakPolarHBondContact OG-CD 3.42Å; P546-Y560 HydrophobicContact CB-CD2 4.1Å; P546-Y560 HydrophobicContact CB-CE1 4.17Å; P546-Y560 HydrophobicContact CB-CE2 3.58Å; P546-Y560 HydrophobicContact CG-CD1 4.19Å; P546-Y560 HydrophobicContact CG-CD2 3.63Å; P546-Y560 HydrophobicContact CG-CE1 4.19Å; P546-Y560 HydrophobicContact CG-CE2 3.67Å; P546-Y560 HydrophobicContact CG-CG 3.91Å; P546-H572 WeakPolarHBondContact O-CB 3.47Å
547C95.3Very high93.2Very high23 Ų2376.8 Ų76.816%0.15540%0.401CS..  trans-89.1132.5-174.6-50.60000112.4A545 A551 C553 C562A545-C547 VanDerWaalsContact C-N 3.28Å; A545-C547 PolarHBondContact O-N 2.86Å; C547-A551 HydrophobicContact CB-CB 4.1Å; C547-C553 HydrophobicContact CB-CB 4.43Å; C547-C553 VanDerWaalsContact SG-CB 3.52Å; C547-C553 VanDerWaalsContact SG-SG 3.69Å; C547-C562 WeakPolarHBondContact CA-SG 3.29Å; C547-C562 HydrophobicContact CB-CB 3.72Å; C547-C562 WeakPolarHBondContact CB-SG 3.43Å; C547-C562 WeakPolarHBondContact SG-CA 3.22Å; C547-C562 WeakPolarHBondContact SG-CB 3.24Å; C547-C562 CovalentContact SG-SG 2.03Å; C547-C562 PolarHBondContact SG-SG 3.07Å
548Q93.7Very high93.1Very high99 Ų9976 Ų7646%0.46340%0.4SS..  trans-100177.1-175.9-55-174.117.700111.9Y550 A551 H572Q548-Y550 VanDerWaalsContact C-N 3.26Å; Q548-Y550 PolarHBondContact O-N 3.21Å; Q548-Y550 VanDerWaalsContact O-N 3.09Å; Q548-A551 WeakPolarHBondContact O-CB 3.06Å; Q548-A551 PolarHBondContact O-N 3.47Å; Q548-H572 WeakPolarHBondContact CB-O 3.43Å; Q548-H572 PolarHBondContact N-O 3.31Å
549N91.8Very high93.1Very high59 Ų5975 Ų7532%0.31640%0.402SS..THydrogen-bonded Turntrans51.340.2169.1-60-47.5000115A551 T565 F568 C573N549-A551 PolarHBondContact O-N 3.22Å; N549-T565 PolarHBondContact O-OG1 2.85Å; N549-F568 HydrophobicContact CB-CD1 3.77Å; N549-F568 HydrophobicContact CB-CD2 3.95Å; N549-F568 HydrophobicContact CB-CE1 3.75Å; N549-F568 HydrophobicContact CB-CE2 3.94Å; N549-F568 HydrophobicContact CB-CG 3.87Å; N549-F568 HydrophobicContact CB-CZ 3.84Å; N549-F568 WeakPolarHBondContact ND2-CD1 3.46Å; N549-F568 VanDerWaalsContact ND2-CE1 3.34Å; N549-F568 WeakPolarHBondContact ND2-CE1 3.39Å; N549-C573 PolarHBondContact ND2-O 3.07Å
550Y89.1Confident93.1Very high223 Ų22372.9 Ų72.988%0.87539%0.392SS*.THydrogen-bonded Turntrans59.721.9-179.5-47-83.5000114.7Q548Q548-Y550 VanDerWaalsContact C-N 3.26Å; Q548-Y550 PolarHBondContact O-N 3.21Å; Q548-Y550 VanDerWaalsContact O-N 3.09Å
551A93.6Very high93.3Very high14 Ų1474 Ų7412%0.11640%0.395CS..PPolyproline II helixtrans-66149.517100000112C547 Q548 N549 V563 C573C547-A551 HydrophobicContact CB-CB 4.1Å; Q548-A551 WeakPolarHBondContact O-CB 3.06Å; Q548-A551 PolarHBondContact O-N 3.47Å; N549-A551 PolarHBondContact O-N 3.22Å; A551-V563 WeakPolarHBondContact CA-O 3.11Å; A551-V563 WeakPolarHBondContact CB-O 3.02Å; A551-C573 HydrophobicContact CB-CB 3.67Å; A551-C573 WeakPolarHBondContact CB-SG 3.44Å
552T94.9Very high93.4Very high96 Ų9672.5 Ų72.559%0.58939%0.389SS*.EExtended strand (participates in β ladder)trans-88.1123178.2-57.10000109.7V563T552-V563 PolarHBondContact N-O 3.3Å; T552-V563 PolarHBondContact O-N 2.92Å
553C96.1Very high93.4Very high36 Ų3674.7 Ų74.724%0.24340%0.401CS..EExtended strand (participates in β ladder)trans-77.9131.7172.2-166.90000110.1C542 C547C542-C553 WeakPolarHBondContact CA-SG 3.43Å; C542-C553 HydrophobicContact CB-CB 3.81Å; C542-C553 WeakPolarHBondContact CB-SG 3.48Å; C542-C553 VanDerWaalsContact SG-C 3.54Å; C542-C553 WeakPolarHBondContact SG-CB 3.36Å; C542-C553 CovalentContact SG-SG 2.04Å; C542-C553 PolarHBondContact SG-SG 2.83Å; C547-C553 HydrophobicContact CB-CB 4.43Å; C547-C553 VanDerWaalsContact SG-CB 3.52Å; C547-C553 VanDerWaalsContact SG-SG 3.69Å
554R95.1Very high93.4Very high106 Ų10669.4 Ų69.440%0.438%0.377SS..EExtended strand (participates in β ladder)trans-114.5119.7168.5-165-179.579-117.3-1.8109.6C542 Y560 E561C542-R554 VanDerWaalsContact SG-C 3.56Å; R554-Y560 WeakPolarHBondContact O-CA 3.39Å; R554-E561 IonicContact CZ-OE1 3.56Å; R554-E561 IonicContact CZ-OE2 3.39Å; R554-E561 PolarHBondContact N-O 2.95Å; R554-E561 IonicContact NH1-OE1 2.7Å; R554-E561 PolarHBondContact NH1-OE1 2.94Å; R554-E561 IonicContact NH1-OE2 3.32Å; R554-E561 PolarHBondContact NH1-OE2 3.48Å; R554-E561 VanDerWaalsContact NH2-CD 3.33Å; R554-E561 IonicContact NH2-OE1 2.69Å; R554-E561 IonicContact NH2-OE2 2.74Å; R554-E561 PolarHBondContact NH2-OE2 2.95Å; R554-E561 PolarHBondContact O-N 3.43Å
555D93.6Very high93.4Very high49 Ų4967.6 Ų67.626%0.26236%0.362SS..EExtended strand (participates in β ladder)trans-61.3144.5172.3-117.831.6000111.4N540 E541 C542N540-D555 WeakPolarHBondContact CA-OD1 3.22Å; N540-D555 WeakPolarHBondContact CA-OD2 3.47Å; N540-D555 WeakPolarHBondContact CB-OD2 3.18Å; N540-D555 VanDerWaalsContact CG-CG 3.48Å; N540-D555 PolarHBondContact ND2-OD1 3.15Å; N540-D555 PolarHBondContact ND2-OD2 3.31Å; N540-D555 PolarHBondContact OD1-OD1 2.64Å; E541-D555 PolarHBondContact N-OD1 3.42Å; C542-D555 WeakPolarHBondContact CB-OD1 3.46Å; C542-D555 PolarHBondContact N-OD1 2.75Å; C542-D555 PolarHBondContact SG-N 3.42Å; C542-D555 VanDerWaalsContact SG-N 3.43Å; C542-D555 PolarHBondContact SG-OD1 2.87Å
556L91.9Very high93.2Very high65 Ų6568 Ų6834%0.3436%0.358SS..EExtended strand (participates in β ladder)trans-149154.7172.6-58.9169.6000108.3N558 A559 E561L556-N558 PolarHBondContact O-N 2.69Å; L556-A559 CarbonylContact C-O 3.6Å; L556-A559 WeakPolarHBondContact CA-O 3.37Å; L556-A559 HydrophobicContact CB-CB 4.01Å; L556-A559 VanDerWaalsContact CB-O 3.31Å; L556-A559 WeakPolarHBondContact CB-O 3Å; L556-A559 HydrophobicContact CD1-CB 4.47Å; L556-A559 PolarHBondContact N-O 2.87Å; L556-A559 CarbonylContact O-C 3.46Å; L556-A559 PolarHBondContact O-N 3.3Å; L556-E561 HydrophobicContact CD1-CB 4.18Å
557I91.9Very high92.8Very high103 Ų10370.9 Ų70.953%0.52837%0.37SS..THydrogen-bonded Turntrans-60114.1179.8-60.8165.7000110.1Y530 E538 A559Y530-I557 HydrophobicContact CD2-CG2 4.38Å; Y530-I557 HydrophobicContact CE2-CG2 3.62Å; Y530-I557 WeakPolarHBondContact OH-CD1 3.05Å; E538-I557 WeakPolarHBondContact OE1-CA 3.48Å; I557-A559 VanDerWaalsContact C-N 3.25Å; I557-A559 PolarHBondContact O-N 3.36Å
558N91.3Very high92.6Very high84 Ų8471.6 Ų71.645%0.44937%0.37SS..THydrogen-bonded Turntrans59.829.3-177.5-163.397000113.3P528 G529 E541 L556P528-N558 WeakPolarHBondContact CB-OD1 3.34Å; G529-N558 PolarHBondContact N-OD1 3.06Å; E541-N558 VanDerWaalsContact OE1-CA 3.24Å; E541-N558 WeakPolarHBondContact OE1-CA 3.45Å; L556-N558 PolarHBondContact O-N 2.69Å
559A92.6Very high92.4Very high40 Ų4071.4 Ų71.433%0.33137%0.37SS..EExtended strand (participates in β ladder)trans-164.5165.3-177.300000113.5E541 L556 I557E541-A559 PolarHBondContact OE1-N 3.43Å; E541-A559 VanDerWaalsContact OE2-C 3.24Å; E541-A559 WeakPolarHBondContact OE2-CA 3.49Å; E541-A559 PolarHBondContact OE2-N 2.73Å; L556-A559 CarbonylContact C-O 3.6Å; L556-A559 WeakPolarHBondContact CA-O 3.37Å; L556-A559 HydrophobicContact CB-CB 4.01Å; L556-A559 VanDerWaalsContact CB-O 3.31Å; L556-A559 WeakPolarHBondContact CB-O 3Å; L556-A559 HydrophobicContact CD1-CB 4.47Å; L556-A559 PolarHBondContact N-O 2.87Å; L556-A559 CarbonylContact O-C 3.46Å; L556-A559 PolarHBondContact O-N 3.3Å; I557-A559 VanDerWaalsContact C-N 3.25Å; I557-A559 PolarHBondContact O-N 3.36Å
560Y94.4Very high92.3Very high61 Ų6170.1 Ų70.124%0.23937%0.37CS..EExtended strand (participates in β ladder)trans-139.3153.5168.558.4-91.2000111.7E541 P546 R554 K571 H572E541-Y560 HydrophobicContact CB-CD1 3.71Å; E541-Y560 HydrophobicContact CB-CE1 4.48Å; E541-Y560 HydrophobicContact CG-CD1 4.48Å; P546-Y560 HydrophobicContact CB-CD2 4.1Å; P546-Y560 HydrophobicContact CB-CE1 4.17Å; P546-Y560 HydrophobicContact CB-CE2 3.58Å; P546-Y560 HydrophobicContact CG-CD1 4.19Å; P546-Y560 HydrophobicContact CG-CD2 3.63Å; P546-Y560 HydrophobicContact CG-CE1 4.19Å; P546-Y560 HydrophobicContact CG-CE2 3.67Å; P546-Y560 HydrophobicContact CG-CG 3.91Å; R554-Y560 WeakPolarHBondContact O-CA 3.39Å; Y560-K571 PolarHBondContact OH-NZ 3.12Å; Y560-H572 AromaticContact CE2-CD2 3.85Å; Y560-H572 PolarHBondContact OH-NE2 2.99Å; Y560-H572 VanDerWaalsContact OH-NE2 3.11Å
561E95.3Very high92.4Very high87 Ų8765.8 Ų65.841%0.40736%0.355SS..EExtended strand (participates in β ladder)trans-119.1125.9172.2-170.5-175.8115.800110R554 L556R554-E561 IonicContact CZ-OE1 3.56Å; R554-E561 IonicContact CZ-OE2 3.39Å; R554-E561 PolarHBondContact N-O 2.95Å; R554-E561 IonicContact NH1-OE1 2.7Å; R554-E561 PolarHBondContact NH1-OE1 2.94Å; R554-E561 IonicContact NH1-OE2 3.32Å; R554-E561 PolarHBondContact NH1-OE2 3.48Å; R554-E561 VanDerWaalsContact NH2-CD 3.33Å; R554-E561 IonicContact NH2-OE1 2.69Å; R554-E561 IonicContact NH2-OE2 2.74Å; R554-E561 PolarHBondContact NH2-OE2 2.95Å; R554-E561 PolarHBondContact O-N 3.43Å; L556-E561 HydrophobicContact CD1-CB 4.18Å
562C96.4Very high92.4Very high14 Ų1467.6 Ų67.610%0.09536%0.362CS..EExtended strand (participates in β ladder)trans-91.5108.6173.7-640000110.2C547 C564 K571 C573C547-C562 WeakPolarHBondContact CA-SG 3.29Å; C547-C562 HydrophobicContact CB-CB 3.72Å; C547-C562 WeakPolarHBondContact CB-SG 3.43Å; C547-C562 WeakPolarHBondContact SG-CA 3.22Å; C547-C562 WeakPolarHBondContact SG-CB 3.24Å; C547-C562 CovalentContact SG-SG 2.03Å; C547-C562 PolarHBondContact SG-SG 3.07Å; C562-C564 PolarHBondContact O-N 2.68Å; C562-C564 VanDerWaalsContact O-N 3.12Å; C562-K571 WeakPolarHBondContact CB-O 3.24Å; C562-C573 VanDerWaalsContact CB-SG 3.57Å
563V95.1Very high92.4Very high70 Ų7063 Ų6342%0.42433%0.334SS..EExtended strand (participates in β ladder)trans-79.195.8175.1-175.70000108.6A551 T552A551-V563 WeakPolarHBondContact CA-O 3.11Å; A551-V563 WeakPolarHBondContact CB-O 3.02Å; T552-V563 PolarHBondContact N-O 3.3Å; T552-V563 PolarHBondContact O-N 2.92Å
564C93.3Very high92.3Very high42 Ų4265.1 Ų65.128%0.28434%0.34SS..  trans-67.1143.7-175.1-54.30000113.2C562 F568 C573C562-C564 PolarHBondContact O-N 2.68Å; C562-C564 VanDerWaalsContact O-N 3.12Å; C564-F568 WeakPolarHBondContact CB-O 3.37Å; C564-C573 WeakPolarHBondContact CA-SG 3.02Å; C564-C573 HydrophobicContact CB-CB 3.74Å; C564-C573 WeakPolarHBondContact CB-SG 3.3Å; C564-C573 PolarHBondContact N-SG 3.03Å; C564-C573 WeakPolarHBondContact SG-CA 3.23Å; C564-C573 WeakPolarHBondContact SG-CB 3.33Å; C564-C573 CovalentContact SG-SG 2.03Å; C564-C573 PolarHBondContact SG-SG 2.8Å
565T90Very high92Very high47 Ų4763.9 Ų63.929%0.28834%0.34SS..  trans-65.9153.3165.656.90000109.6N549 Q567 F568N549-T565 PolarHBondContact O-OG1 2.85Å; T565-Q567 PolarHBondContact O-N 2.9Å; T565-F568 PolarHBondContact O-N 3.44Å; T565-F568 WeakPolarHBondContact OG1-CD2 3.31Å
566P87.3Confident91.6Very high91 Ų9166.3 Ų66.359%0.59135%0.346SS*.THydrogen-bonded Turntrans-54-32.8-167.4-32.337.7000115.8F568 K577 L596P566-F568 VanDerWaalsContact C-N 3.26Å; P566-F568 PolarHBondContact O-N 2.85Å; P566-K577 PolarHBondContact O-NZ 2.86Å; P566-L596 HydrophobicContact CB-CD1 3.91Å; P566-L596 HydrophobicContact CB-CD2 4.39Å
567Q86.3Confident91.2Very high80 Ų8066.8 Ų66.837%0.37435%0.346SS..THydrogen-bonded Turntrans-76.4-3.5-178.9-64.9179.53900114.4T565 Y576 K577 L596T565-Q567 PolarHBondContact O-N 2.9Å; Q567-Y576 HydrophobicContact CB-CD2 4.37Å; Q567-Y576 HydrophobicContact CB-CE2 4.08Å; Q567-Y576 WeakPolarHBondContact O-CD2 3.43Å; Q567-K577 PolarHBondContact O-N 3Å; Q567-L596 HydrophobicContact CB-CD2 4.31Å; Q567-L596 HydrophobicContact CG-CD2 3.63Å; Q567-L596 HydrophobicContact CG-CG 3.97Å
568F90.6Very high90.7Very high38 Ų3865.2 Ų65.217%0.16734%0.338CS..EExtended strand (participates in β ladder)trans-130.2156.9-173.7-65.8-91.7000113.6N549 C564 T565 P566 C573 I575 Y576 K577N549-F568 HydrophobicContact CB-CD1 3.77Å; N549-F568 HydrophobicContact CB-CD2 3.95Å; N549-F568 HydrophobicContact CB-CE1 3.75Å; N549-F568 HydrophobicContact CB-CE2 3.94Å; N549-F568 HydrophobicContact CB-CG 3.87Å; N549-F568 HydrophobicContact CB-CZ 3.84Å; N549-F568 WeakPolarHBondContact ND2-CD1 3.46Å; N549-F568 VanDerWaalsContact ND2-CE1 3.34Å; N549-F568 WeakPolarHBondContact ND2-CE1 3.39Å; C564-F568 WeakPolarHBondContact CB-O 3.37Å; T565-F568 PolarHBondContact O-N 3.44Å; T565-F568 WeakPolarHBondContact OG1-CD2 3.31Å; P566-F568 VanDerWaalsContact C-N 3.26Å; P566-F568 PolarHBondContact O-N 2.85Å; F568-C573 HydrophobicContact CB-CB 4.3Å; F568-I575 CarbonylContact C-O 3.36Å; F568-I575 WeakPolarHBondContact CA-O 3.42Å; F568-I575 WeakPolarHBondContact CD1-O 3.47Å; F568-Y576 HydrophobicContact CE1-CD2 4.08Å; F568-Y576 HydrophobicContact CE2-CD2 4.47Å; F568-Y576 HydrophobicContact CZ-CD2 4.04Å; F568-K577 WeakPolarHBondContact O-CE 3.34Å; F568-K577 PolarHBondContact O-NZ 3.42Å
569E89.8Confident90.3Very high95 Ų9562.4 Ų62.444%0.44433%0.325SS..EExtended strand (participates in β ladder)trans-150.6-168.8174.258.2-174.7-141.700110.7C573 E574 I575 K577E569-C573 CarbonylContact O-C 3.59Å; E569-C573 WeakPolarHBondContact O-CA 3.34Å; E569-E574 PolarHBondContact O-N 3.01Å; E569-E574 VanDerWaalsContact O-N 3.17Å; E569-I575 HydrophobicContact CG-CB 3.99Å; E569-I575 HydrophobicContact CG-CG2 4.12Å; E569-I575 PolarHBondContact N-O 2.88Å; E569-I575 WeakPolarHBondContact O-CB 3.16Å; E569-I575 PolarHBondContact O-N 2.75Å; E569-K577 HydrophobicContact CB-CG 4.42Å; E569-K577 HydrophobicContact CG-CG 3.82Å; E569-K577 WeakPolarHBondContact OE2-CE 3.39Å; E569-K577 WeakPolarHBondContact OE2-CG 3.48Å
570G89.7Confident89.8Confident31 Ų3161.8 Ų61.832%0.3232%0.318SS..SBendtrans91169.1-16500000111.7H572 C573 E574G570-H572 VanDerWaalsContact C-N 3.27Å; G570-H572 PolarHBondContact O-N 3.33Å; G570-C573 PolarHBondContact O-N 2.88Å; G570-E574 VanDerWaalsContact C-OE2 3.27Å; G570-E574 WeakPolarHBondContact CA-OE1 3.19Å; G570-E574 WeakPolarHBondContact CA-OE2 3.41Å
571K91.7Very high89.3Confident132 Ų13264 Ų6457%0.57434%0.337SS*.THydrogen-bonded Turntrans-68-32.1-173.5-175.6-177.8168.9-103.70111.8Y560 C562 E574Y560-K571 PolarHBondContact OH-NZ 3.12Å; C562-K571 WeakPolarHBondContact CB-O 3.24Å; K571-E574 PolarHBondContact N-OE1 2.83Å; K571-E574 PolarHBondContact N-OE2 2.9Å; K571-E574 VanDerWaalsContact N-OE2 3.15Å
572H93.6Very high88.5Confident53 Ų5366.7 Ų66.725%0.24536%0.355CS..THydrogen-bonded Turntrans-112.514.5-177.5-52.2154.4000111.1P546 Q548 Y560 G570 E574P546-H572 WeakPolarHBondContact O-CB 3.47Å; Q548-H572 WeakPolarHBondContact CB-O 3.43Å; Q548-H572 PolarHBondContact N-O 3.31Å; Y560-H572 AromaticContact CE2-CD2 3.85Å; Y560-H572 PolarHBondContact OH-NE2 2.99Å; Y560-H572 VanDerWaalsContact OH-NE2 3.11Å; G570-H572 VanDerWaalsContact C-N 3.27Å; G570-H572 PolarHBondContact O-N 3.33Å; H572-E574 VanDerWaalsContact C-OE2 3.24Å; H572-E574 VanDerWaalsContact CA-OE2 3.25Å; H572-E574 WeakPolarHBondContact CA-OE2 3.41Å; H572-E574 WeakPolarHBondContact CB-OE2 3.49Å; H572-E574 PolarHBondContact N-OE2 2.82Å; H572-E574 PolarHBondContact O-N 2.86Å
573C94.3Very high87.9Confident0 Ų068.1 Ų68.10%036%0.363CS..SBendtrans60.630.8-174.3-47.40000113.7N549 A551 C562 C564 F568 E569 G570N549-C573 PolarHBondContact ND2-O 3.07Å; A551-C573 HydrophobicContact CB-CB 3.67Å; A551-C573 WeakPolarHBondContact CB-SG 3.44Å; C562-C573 VanDerWaalsContact CB-SG 3.57Å; C564-C573 WeakPolarHBondContact CA-SG 3.02Å; C564-C573 HydrophobicContact CB-CB 3.74Å; C564-C573 WeakPolarHBondContact CB-SG 3.3Å; C564-C573 PolarHBondContact N-SG 3.03Å; C564-C573 WeakPolarHBondContact SG-CA 3.23Å; C564-C573 WeakPolarHBondContact SG-CB 3.33Å; C564-C573 CovalentContact SG-SG 2.03Å; C564-C573 PolarHBondContact SG-SG 2.8Å; F568-C573 HydrophobicContact CB-CB 4.3Å; E569-C573 CarbonylContact O-C 3.59Å; E569-C573 WeakPolarHBondContact O-CA 3.34Å; G570-C573 PolarHBondContact O-N 2.88Å
574E93.3Very high87.5Confident80 Ų8074.2 Ų74.237%0.37438%0.378SS..  trans-80.2-18.5-175.372.1-76.2-174.500114.3E569 G570 K571 H572E569-E574 PolarHBondContact O-N 3.01Å; E569-E574 VanDerWaalsContact O-N 3.17Å; G570-E574 VanDerWaalsContact C-OE2 3.27Å; G570-E574 WeakPolarHBondContact CA-OE1 3.19Å; G570-E574 WeakPolarHBondContact CA-OE2 3.41Å; K571-E574 PolarHBondContact N-OE1 2.83Å; K571-E574 PolarHBondContact N-OE2 2.9Å; K571-E574 VanDerWaalsContact N-OE2 3.15Å; H572-E574 VanDerWaalsContact C-OE2 3.24Å; H572-E574 VanDerWaalsContact CA-OE2 3.25Å; H572-E574 WeakPolarHBondContact CA-OE2 3.41Å; H572-E574 WeakPolarHBondContact CB-OE2 3.49Å; H572-E574 PolarHBondContact N-OE2 2.82Å; H572-E574 PolarHBondContact O-N 2.86Å
575I88.6Confident87.3Confident80 Ų8073.6 Ų73.641%0.4137%0.374SS..EExtended strand (participates in β ladder)trans-99.1127.1-175.8-50.4178.4000109.3F568 E569F568-I575 CarbonylContact C-O 3.36Å; F568-I575 WeakPolarHBondContact CA-O 3.42Å; F568-I575 WeakPolarHBondContact CD1-O 3.47Å; E569-I575 HydrophobicContact CG-CB 3.99Å; E569-I575 HydrophobicContact CG-CG2 4.12Å; E569-I575 PolarHBondContact N-O 2.88Å; E569-I575 WeakPolarHBondContact O-CB 3.16Å; E569-I575 PolarHBondContact O-N 2.75Å
576Y85.9Confident87.2Confident99 Ų9975.6 Ų75.639%0.38838%0.38SS..EExtended strand (participates in β ladder)trans-81.6132.4170.6175.6-105.7000110.9Q567 F568 D578 G595Q567-Y576 HydrophobicContact CB-CD2 4.37Å; Q567-Y576 HydrophobicContact CB-CE2 4.08Å; Q567-Y576 WeakPolarHBondContact O-CD2 3.43Å; F568-Y576 HydrophobicContact CE1-CD2 4.08Å; F568-Y576 HydrophobicContact CE2-CD2 4.47Å; F568-Y576 HydrophobicContact CZ-CD2 4.04Å; Y576-D578 HydrophobicContact CD1-CB 4.2Å; Y576-D578 HydrophobicContact CE1-CB 4.12Å; Y576-D578 PolarHBondContact O-N 3.04Å; Y576-G595 PolarHBondContact OH-O 2.03Å
577K84.3Confident87.2Confident76 Ų7675 Ų7533%0.3337%0.372SS..  trans-81.390.7173.5-65.5-178.1-166.3140.20109.9P566 Q567 F568 E569 P579P566-K577 PolarHBondContact O-NZ 2.86Å; Q567-K577 PolarHBondContact O-N 3Å; F568-K577 WeakPolarHBondContact O-CE 3.34Å; F568-K577 PolarHBondContact O-NZ 3.42Å; E569-K577 HydrophobicContact CB-CG 4.42Å; E569-K577 HydrophobicContact CG-CG 3.82Å; E569-K577 WeakPolarHBondContact OE2-CE 3.39Å; E569-K577 WeakPolarHBondContact OE2-CG 3.48Å; K577-P579 VanDerWaalsContact O-CD 3.25Å; K577-P579 WeakPolarHBondContact O-CD 3.34Å
578D81.6Confident87Confident69 Ų6974.6 Ų74.637%0.36939%0.389SS..  trans-68.8113169.7176.27.7000110.2Y576 C580 V581Y576-D578 HydrophobicContact CD1-CB 4.2Å; Y576-D578 HydrophobicContact CE1-CB 4.12Å; Y576-D578 PolarHBondContact O-N 3.04Å; D578-C580 PolarHBondContact O-N 3.17Å; D578-C580 VanDerWaalsContact OD1-CB 3.32Å; D578-C580 WeakPolarHBondContact OD1-CB 3.01Å; D578-C580 PolarHBondContact OD1-N 3.47Å; D578-V581 HydrophobicContact CB-CG2 3.89Å; D578-V581 PolarHBondContact O-N 2.04Å
579P81.3Confident86.9Confident25 Ų2573.5 Ų73.516%0.16239%0.389CS..G310 helixtrans-68.8-19.3-178.930.8-35.6000112.6K577 V581 L596 A598K577-P579 VanDerWaalsContact O-CD 3.25Å; K577-P579 WeakPolarHBondContact O-CD 3.34Å; P579-V581 PolarHBondContact O-N 2.88Å; P579-L596 WeakPolarHBondContact CB-O 3.27Å; P579-A598 HydrophobicContact CB-CB 3.73Å; P579-A598 HydrophobicContact CG-CB 3.99Å
580C83.7Confident86.8Confident28 Ų2877.6 Ų77.619%0.18940%0.4CS..G310 helixtrans-73.4-9.4177.2-74.30000114D578 N582 C591D578-C580 PolarHBondContact O-N 3.17Å; D578-C580 VanDerWaalsContact OD1-CB 3.32Å; D578-C580 WeakPolarHBondContact OD1-CB 3.01Å; D578-C580 PolarHBondContact OD1-N 3.47Å; C580-N582 VanDerWaalsContact C-N 3.27Å; C580-N582 PolarHBondContact O-N 2.9Å; C580-C591 WeakPolarHBondContact CA-SG 3.3Å; C580-C591 HydrophobicContact CB-CB 3.77Å; C580-C591 WeakPolarHBondContact CB-SG 3.46Å; C580-C591 WeakPolarHBondContact SG-CB 3.02Å; C580-C591 CovalentContact SG-SG 2.04Å; C580-C591 PolarHBondContact SG-SG 3.42Å
581V82.7Confident86.8Confident107 Ų10777.9 Ų77.965%0.64840%0.397SS*.G310 helixtrans-65.1-29.5178.4172.80000112.8D578 P579D578-V581 HydrophobicContact CB-CG2 3.89Å; D578-V581 PolarHBondContact O-N 2.04Å; P579-V581 PolarHBondContact O-N 2.88Å
582N79.8Confident86.5Confident144 Ų14476.6 Ų76.677%0.7739%0.393SS*.THydrogen-bonded Turntrans-104.1-16.1-178.9-70.7-62.5000114.2C580C580-N582 VanDerWaalsContact C-N 3.27Å; C580-N582 PolarHBondContact O-N 2.9Å
583V83.8Confident86Confident44 Ų4477.1 Ų77.127%0.26740%0.403SS..  trans-86.5131.8179.6175.10000110A598 C600V583-A598 HydrophobicContact CB-CB 4.29Å; V583-A598 HydrophobicContact CG2-CB 3.71Å; V583-C600 VanDerWaalsContact CG1-SG 3.6Å
584R86.1Confident85.1Confident198 Ų19881.4 Ų81.475%0.74743%0.433SS*.  trans-123.987.7-179.5-81.1-174.6-76.4-173.5-6111.8Q586R584-Q586 PolarHBondContact O-N 2.98Å
585C89.6Confident84.2Confident29 Ų2979.3 Ų79.320%0.19643%0.432CS..  trans-59.3122.8171.2-47.40000110.7G589 C591 C600 E610C585-G589 VanDerWaalsContact CB-O 3.32Å; C585-G589 WeakPolarHBondContact CB-O 3.04Å; C585-C591 PolarHBondContact SG-N 3.33Å; C585-C591 VanDerWaalsContact SG-N 3.43Å; C585-C600 WeakPolarHBondContact CA-SG 3.27Å; C585-C600 HydrophobicContact CB-CB 3.75Å; C585-C600 WeakPolarHBondContact CB-SG 3.31Å; C585-C600 VanDerWaalsContact SG-CA 3.52Å; C585-C600 WeakPolarHBondContact SG-CB 3.3Å; C585-C600 CovalentContact SG-SG 2.03Å; C585-C600 PolarHBondContact SG-SG 2.85Å; C585-E610 CarbonylContact C-O 3.56Å
586Q88.3Confident83.3Confident89 Ų8979.7 Ų79.742%0.41644%0.435SS..  trans-86.7174.1179.1-51.4-170.338.300109.7R584 G588 G589 E610R584-Q586 PolarHBondContact O-N 2.98Å; Q586-G588 PolarHBondContact O-N 3.33Å; Q586-G589 PolarHBondContact O-N 3.13Å; Q586-E610 WeakPolarHBondContact CB-O 3.44Å; Q586-E610 HydrophobicContact CG-CB 4.21Å; Q586-E610 PolarHBondContact N-O 2.86Å; Q586-E610 PolarHBondContact NE2-OE2 2.86Å
587N85.6Confident82.9Confident77 Ų7780.8 Ų80.841%0.41245%0.447SS..THydrogen-bonded Turntrans5223.5172.7-57.6-38.2000116.5Y606 C611N587-Y606 HydrophobicContact CB-CD1 3.5Å; N587-Y606 HydrophobicContact CB-CD2 4.22Å; N587-Y606 HydrophobicContact CB-CE1 3.51Å; N587-Y606 HydrophobicContact CB-CE2 4.2Å; N587-Y606 HydrophobicContact CB-CG 3.88Å; N587-Y606 WeakPolarHBondContact ND2-CD1 3.48Å; N587-Y606 WeakPolarHBondContact ND2-CE1 3.45Å; N587-C611 PolarHBondContact ND2-O 3.01Å
588G83.1Confident82.8Confident72 Ų7278.4 Ų78.474%0.74244%0.442SS*.THydrogen-bonded Turntrans87.29-179.100000115.3Q586Q586-G588 PolarHBondContact O-N 3.33Å
589G88.2Confident83.1Confident16 Ų1677.8 Ų77.817%0.16544%0.443CS..  trans-59152.4173.300000113.8C585 Q586 A601C585-G589 VanDerWaalsContact CB-O 3.32Å; C585-G589 WeakPolarHBondContact CB-O 3.04Å; Q586-G589 PolarHBondContact O-N 3.13Å; G589-A601 WeakPolarHBondContact CA-O 3.35Å
590R88.6Confident83.5Confident181 Ų18177.5 Ų77.568%0.68344%0.441SS*.EExtended strand (participates in β ladder)trans-106.8127.2-179.9-170.8-172.9-161.796.75.6109.7E592 A601R590-E592 PolarHBondContact O-N 2.69Å; R590-A601 HydrophobicContact CB-CB 4.47Å; R590-A601 PolarHBondContact N-O 3.32Å; R590-A601 PolarHBondContact O-N 3.03Å
591C88.3Confident83.7Confident36 Ų3678 Ų7824%0.24345%0.447CS..EExtended strand (participates in β ladder)trans-72.6130.2170.4-1710000110.3C580 C585C580-C591 WeakPolarHBondContact CA-SG 3.3Å; C580-C591 HydrophobicContact CB-CB 3.77Å; C580-C591 WeakPolarHBondContact CB-SG 3.46Å; C580-C591 WeakPolarHBondContact SG-CB 3.02Å; C580-C591 CovalentContact SG-SG 2.04Å; C580-C591 PolarHBondContact SG-SG 3.42Å; C585-C591 PolarHBondContact SG-N 3.33Å; C585-C591 VanDerWaalsContact SG-N 3.43Å
592E86.9Confident84Confident106 Ų10675.1 Ų75.150%0.49543%0.431SS..EExtended strand (participates in β ladder)trans-121.7134.8172.2-60.8-165160.200109.7R590 A598 S599 A601R590-E592 PolarHBondContact O-N 2.69Å; E592-A598 WeakPolarHBondContact O-CA 3.42Å; E592-S599 PolarHBondContact N-O 3.46Å; E592-S599 PolarHBondContact O-N 2.95Å; E592-S599 PolarHBondContact O-OG 3.19Å; E592-A601 HydrophobicContact CG-CB 4.09Å
593S81.9Confident84.3Confident64 Ų6470.6 Ų70.645%0.44841%0.41SS..EExtended strand (participates in β ladder)trans-101.9120.8-176.258.60000111.7N597S593-N597 CarbonylContact C-O 3.34Å
594S76.3Confident84.3Confident90 Ų9073 Ų7363%0.62943%0.429SS*.EExtended strand (participates in β ladder)trans-107.679.7171-75.10000110.1L596 N597S594-L596 PolarHBondContact O-N 3.01Å; S594-L596 VanDerWaalsContact O-N 3.13Å; S594-N597 PolarHBondContact N-O 2.84Å; S594-N597 PolarHBondContact O-N 2.82Å
595G73.9Confident83.9Confident35 Ų3564 Ų6436%0.36140%0.397SS..THydrogen-bonded Turntrans73.9-99.1179.900000112.5Y576Y576-G595 PolarHBondContact OH-O 2.03Å
596L69.9Low83.8Confident89 Ų8964.5 Ų64.547%0.46640%0.395SS..THydrogen-bonded Turntrans-99.8-16.1175.5-72.6169.7000113.2P566 Q567 P579 S594P566-L596 HydrophobicContact CB-CD1 3.91Å; P566-L596 HydrophobicContact CB-CD2 4.39Å; Q567-L596 HydrophobicContact CB-CD2 4.31Å; Q567-L596 HydrophobicContact CG-CD2 3.63Å; Q567-L596 HydrophobicContact CG-CG 3.97Å; P579-L596 WeakPolarHBondContact CB-O 3.27Å; S594-L596 PolarHBondContact O-N 3.01Å; S594-L596 VanDerWaalsContact O-N 3.13Å
597N76.4Confident83.6Confident121 Ų12163.9 Ų63.965%0.64740%0.397SS*.EExtended strand (participates in β ladder)trans-94.3140.7179.7-67.914.3000109.2S593 S594S593-N597 CarbonylContact C-O 3.34Å; S594-N597 PolarHBondContact N-O 2.84Å; S594-N597 PolarHBondContact O-N 2.82Å
598A83.5Confident83.6Confident27 Ų2761.7 Ų61.722%0.22339%0.393CS..EExtended strand (participates in β ladder)trans-111.4143.9166.900000109.1P579 V583 E592P579-A598 HydrophobicContact CB-CB 3.73Å; P579-A598 HydrophobicContact CG-CB 3.99Å; V583-A598 HydrophobicContact CB-CB 4.29Å; V583-A598 HydrophobicContact CG2-CB 3.71Å; E592-A598 WeakPolarHBondContact O-CA 3.42Å
599S86.7Confident83.6Confident56 Ų5666 Ų6639%0.39239%0.393SS..EExtended strand (participates in β ladder)trans-141.7143.2-179.948.80000109.8E592E592-S599 PolarHBondContact N-O 3.46Å; E592-S599 PolarHBondContact O-N 2.95Å; E592-S599 PolarHBondContact O-OG 3.19Å
600C89.5Confident83.6Confident18 Ų1869 Ų6912%0.12240%0.403CS..EExtended strand (participates in β ladder)trans-86.3117.9177.8-67.60000111.7V583 C585 C602 E609 C611V583-C600 VanDerWaalsContact CG1-SG 3.6Å; C585-C600 WeakPolarHBondContact CA-SG 3.27Å; C585-C600 HydrophobicContact CB-CB 3.75Å; C585-C600 WeakPolarHBondContact CB-SG 3.31Å; C585-C600 VanDerWaalsContact SG-CA 3.52Å; C585-C600 WeakPolarHBondContact SG-CB 3.3Å; C585-C600 CovalentContact SG-SG 2.03Å; C585-C600 PolarHBondContact SG-SG 2.85Å; C600-C602 PolarHBondContact O-N 3.48Å; C600-E609 WeakPolarHBondContact CB-O 3.48Å; C600-C611 VanDerWaalsContact CB-SG 3.52Å
601A89.6Confident83.7Confident39 Ų3960.4 Ų60.432%0.32237%0.371SS..EExtended strand (participates in β ladder)trans-77.4106.916500000108.8G589 R590 E592G589-A601 WeakPolarHBondContact CA-O 3.35Å; R590-A601 HydrophobicContact CB-CB 4.47Å; R590-A601 PolarHBondContact N-O 3.32Å; R590-A601 PolarHBondContact O-N 3.03Å; E592-A601 HydrophobicContact CG-CB 4.09Å
602C88.6Confident83.7Confident46 Ų4662.8 Ų62.831%0.31138%0.378SS..PPolyproline II helixtrans-80.1144.3-176.3-53.90000112.6C600 Y606 C611C600-C602 PolarHBondContact O-N 3.48Å; C602-Y606 WeakPolarHBondContact CB-O 3.03Å; C602-C611 WeakPolarHBondContact CA-SG 3.02Å; C602-C611 HydrophobicContact CB-CB 3.75Å; C602-C611 WeakPolarHBondContact CB-SG 3.25Å; C602-C611 WeakPolarHBondContact SG-CA 3.01Å; C602-C611 WeakPolarHBondContact SG-CB 3.19Å; C602-C611 CovalentContact SG-SG 2.03Å; C602-C611 PolarHBondContact SG-SG 3.33Å
603P85.3Confident83.6Confident50 Ų5061.1 Ų61.133%0.32538%0.375SS..PPolyproline II helixtrans-70.1164.2168.130.7-31.8000110.4Y606P603-Y606 HydrophobicContact CG-CD2 3.85Å; P603-Y606 HydrophobicContact CG-CG 4.43Å; P603-Y606 PolarHBondContact O-N 2.85Å
604S83.6Confident83.7Confident95 Ų9560.7 Ų60.766%0.66437%0.368SS*.THydrogen-bonded Turntrans-52.5144.5170.5-56.40000111.2Y606 N634S604-Y606 VanDerWaalsContact C-N 3.31Å; S604-N634 WeakPolarHBondContact CB-OD1 3.31Å; S604-N634 PolarHBondContact O-OD1 2.83Å
605G79.1Confident84.1Confident7 Ų759.7 Ų59.77%0.07236%0.355CS..THydrogen-bonded Turntrans79.80.7-174.400000115.3I615 N634G605-I615 WeakPolarHBondContact O-CG1 3.25Å; G605-I615 PolarHBondContact O-N 3Å; G605-N634 PolarHBondContact N-OD1 3.25Å
606Y86Confident84.5Confident40 Ų4061.2 Ų61.216%0.15736%0.355CS..EExtended strand (participates in β ladder)trans-132.6148.2-179.9-66.2-83.9000113.9N587 C602 P603 S604 V613 D614 S633N587-Y606 HydrophobicContact CB-CD1 3.5Å; N587-Y606 HydrophobicContact CB-CD2 4.22Å; N587-Y606 HydrophobicContact CB-CE1 3.51Å; N587-Y606 HydrophobicContact CB-CE2 4.2Å; N587-Y606 HydrophobicContact CB-CG 3.88Å; N587-Y606 WeakPolarHBondContact ND2-CD1 3.48Å; N587-Y606 WeakPolarHBondContact ND2-CE1 3.45Å; C602-Y606 WeakPolarHBondContact CB-O 3.03Å; P603-Y606 HydrophobicContact CG-CD2 3.85Å; P603-Y606 HydrophobicContact CG-CG 4.43Å; P603-Y606 PolarHBondContact O-N 2.85Å; S604-Y606 VanDerWaalsContact C-N 3.31Å; Y606-V613 CarbonylContact C-O 3.56Å; Y606-V613 WeakPolarHBondContact CA-O 3.42Å; Y606-D614 HydrophobicContact CD1-CB 4.19Å; Y606-D614 HydrophobicContact CE1-CB 3.76Å; Y606-D614 WeakPolarHBondContact CE1-OD2 3.5Å; Y606-D614 PolarHBondContact OH-OD2 2.74Å; Y606-S633 VanDerWaalsContact OH-CB 3.25Å; Y606-S633 WeakPolarHBondContact OH-CB 3.04Å
607V85.7Confident85.2Confident77 Ų7759.2 Ų59.247%0.46734%0.343SS..EExtended strand (participates in β ladder)trans-147.5168.5179.870.40000110.6C611 E612 V613 I615V607-C611 CarbonylContact O-C 3.29Å; V607-C611 WeakPolarHBondContact O-CA 3.02Å; V607-E612 PolarHBondContact O-N 2.95Å; V607-V613 HydrophobicContact CG1-CB 3.84Å; V607-V613 HydrophobicContact CG1-CG1 4.05Å; V607-V613 PolarHBondContact N-O 3.08Å; V607-V613 WeakPolarHBondContact O-CA 3.45Å; V607-V613 WeakPolarHBondContact O-CB 3.4Å; V607-V613 PolarHBondContact O-N 2.94Å; V607-I615 HydrophobicContact CB-CD1 4.29Å; V607-I615 HydrophobicContact CB-CG1 4.26Å; V607-I615 HydrophobicContact CG1-CG1 4Å
608G85Confident85.5Confident30 Ų3054.4 Ų54.431%0.30932%0.318SS..SBendtrans115.9168.1-175.400000112.4E610 C611 E612G608-E610 VanDerWaalsContact C-N 3.32Å; G608-C611 PolarHBondContact O-N 2.87Å; G608-E612 WeakPolarHBondContact CA-OE2 3.49Å
609E83.9Confident85.5Confident163 Ų16360.8 Ų60.876%0.76234%0.344SS*.SBendtrans-71.7-28.6-179.8-70.3-75.6155.600111.8C600 E612C600-E609 WeakPolarHBondContact CB-O 3.48Å; E609-E612 PolarHBondContact N-OE2 2.84Å
610E88.1Confident85.3Confident79 Ų7962.4 Ų62.437%0.36936%0.355SS..SBendtrans-108.211.3171.1-62.9-166.3155.800112.2C585 Q586 G608 E612C585-E610 CarbonylContact C-O 3.56Å; Q586-E610 WeakPolarHBondContact CB-O 3.44Å; Q586-E610 HydrophobicContact CG-CB 4.21Å; Q586-E610 PolarHBondContact N-O 2.86Å; Q586-E610 PolarHBondContact NE2-OE2 2.86Å; G608-E610 VanDerWaalsContact C-N 3.32Å; E610-E612 WeakPolarHBondContact CA-OE2 3.34Å; E610-E612 PolarHBondContact N-OE2 2.88Å; E610-E612 PolarHBondContact O-N 3.27Å
611C89.8Confident84.9Confident0 Ų067.6 Ų67.60%038%0.382CS..SBendtrans6030.6-171.2-47.40000113.9N587 C600 C602 V607 G608N587-C611 PolarHBondContact ND2-O 3.01Å; C600-C611 VanDerWaalsContact CB-SG 3.52Å; C602-C611 WeakPolarHBondContact CA-SG 3.02Å; C602-C611 HydrophobicContact CB-CB 3.75Å; C602-C611 WeakPolarHBondContact CB-SG 3.25Å; C602-C611 WeakPolarHBondContact SG-CA 3.01Å; C602-C611 WeakPolarHBondContact SG-CB 3.19Å; C602-C611 CovalentContact SG-SG 2.03Å; C602-C611 PolarHBondContact SG-SG 3.33Å; V607-C611 CarbonylContact O-C 3.29Å; V607-C611 WeakPolarHBondContact O-CA 3.02Å; G608-C611 PolarHBondContact O-N 2.87Å
612E88.4Confident84.6Confident87 Ų8766.4 Ų66.441%0.40737%0.371SS..  trans-77.9-14.9-172.772.2-73.9176.700114.7V607 G608 E609 E610V607-E612 PolarHBondContact O-N 2.95Å; G608-E612 WeakPolarHBondContact CA-OE2 3.49Å; E609-E612 PolarHBondContact N-OE2 2.84Å; E610-E612 WeakPolarHBondContact CA-OE2 3.34Å; E610-E612 PolarHBondContact N-OE2 2.88Å; E610-E612 PolarHBondContact O-N 3.27Å
613V85.6Confident84.5Confident70 Ų7065.1 Ų65.142%0.42436%0.362SS..EExtended strand (participates in β ladder)trans-104.5121.2-177.2-172.70000110.2Y606 V607Y606-V613 CarbonylContact C-O 3.56Å; Y606-V613 WeakPolarHBondContact CA-O 3.42Å; V607-V613 HydrophobicContact CG1-CB 3.84Å; V607-V613 HydrophobicContact CG1-CG1 4.05Å; V607-V613 PolarHBondContact N-O 3.08Å; V607-V613 WeakPolarHBondContact O-CA 3.45Å; V607-V613 WeakPolarHBondContact O-CB 3.4Å; V607-V613 PolarHBondContact O-N 2.94Å
614D82.9Confident84.4Confident56 Ų5667.4 Ų67.430%0.29937%0.368SS..EExtended strand (participates in β ladder)trans-77.3138.2169.2-158.4-67.1000109.2Y606 N616Y606-D614 HydrophobicContact CD1-CB 4.19Å; Y606-D614 HydrophobicContact CE1-CB 3.76Å; Y606-D614 WeakPolarHBondContact CE1-OD2 3.5Å; Y606-D614 PolarHBondContact OH-OD2 2.74Å; D614-N616 PolarHBondContact O-N 2.94Å
615I84.2Confident84.3Confident68 Ų6867.9 Ų67.935%0.34936%0.36SS..  trans-88.2107.5-173.3-62.1174.3000109.4G605 V607 E617G605-I615 WeakPolarHBondContact O-CG1 3.25Å; G605-I615 PolarHBondContact O-N 3Å; V607-I615 HydrophobicContact CB-CD1 4.29Å; V607-I615 HydrophobicContact CB-CG1 4.26Å; V607-I615 HydrophobicContact CG1-CG1 4Å; I615-E617 HydrophobicContact CG2-CG 4.43Å; I615-E617 PolarHBondContact O-N 3.43Å
616N82.6Confident84.3Confident68 Ų6870.9 Ų70.936%0.36439%0.39SS..  trans-67.892.3177.5-171.2-79.1000111.7D614 C618 E619 D631D614-N616 PolarHBondContact O-N 2.94Å; N616-C618 PolarHBondContact O-N 3.41Å; N616-C618 WeakPolarHBondContact OD1-CB 3.04Å; N616-C618 PolarHBondContact OD1-N 2.82Å; N616-E619 HydrophobicContact CB-CG 4.26Å; N616-E619 PolarHBondContact O-N 2.89Å; N616-E619 PolarHBondContact OD1-N 3.45Å; N616-D631 VanDerWaalsContact CA-OD1 3.27Å; N616-D631 WeakPolarHBondContact CA-OD1 3.35Å; N616-D631 WeakPolarHBondContact CA-OD2 3.34Å; N616-D631 PolarHBondContact ND2-OD1 3.21Å; N616-D631 PolarHBondContact ND2-OD2 2.04Å
617E84.2Confident84.2Confident47 Ų4769.6 Ų69.622%0.2239%0.389CS..G310 helixtrans-69.8-17.5-179.6-72.7126.3-178.400112.2I615 E619 S620 D631 G635 Y636I615-E617 HydrophobicContact CG2-CG 4.43Å; I615-E617 PolarHBondContact O-N 3.43Å; E617-E619 VanDerWaalsContact C-N 3.29Å; E617-E619 PolarHBondContact O-N 3.23Å; E617-S620 WeakPolarHBondContact O-CB 3.29Å; E617-S620 PolarHBondContact O-N 3.2Å; E617-S620 PolarHBondContact O-OG 3.29Å; E617-D631 PolarHBondContact N-OD1 3.18Å; E617-D631 VanDerWaalsContact N-OD1 3.16Å; E617-G635 WeakPolarHBondContact OE2-CA 3.31Å; E617-G635 PolarHBondContact OE2-N 2.85Å; E617-Y636 HydrophobicContact CB-CD1 3.96Å
618C83.9Confident84.2Confident19 Ų1970.3 Ų70.313%0.12839%0.394CS..G310 helixtrans-65-23.1172.3-73.80000114.6N616 S620 N621 C629 I630 D631N616-C618 PolarHBondContact O-N 3.41Å; N616-C618 WeakPolarHBondContact OD1-CB 3.04Å; N616-C618 PolarHBondContact OD1-N 2.82Å; C618-S620 PolarHBondContact O-N 2.85Å; C618-N621 PolarHBondContact O-N 2.85Å; C618-C629 WeakPolarHBondContact CA-SG 3.48Å; C618-C629 HydrophobicContact CB-CB 3.75Å; C618-C629 WeakPolarHBondContact CB-SG 3.04Å; C618-C629 WeakPolarHBondContact SG-CB 3.47Å; C618-C629 CovalentContact SG-SG 2.04Å; C618-C629 PolarHBondContact SG-SG 3.25Å; C618-I630 VanDerWaalsContact SG-C 3.52Å; C618-D631 PolarHBondContact N-OD1 2.81Å; C618-D631 PolarHBondContact SG-N 3.45Å
619E83.8Confident84.4Confident161 Ų16170.6 Ų70.675%0.75239%0.391SS*.G310 helixtrans-58.7-29.9173.3-72-156.2152.300112.3N616 E617 N621N616-E619 HydrophobicContact CB-CG 4.26Å; N616-E619 PolarHBondContact O-N 2.89Å; N616-E619 PolarHBondContact OD1-N 3.45Å; E617-E619 VanDerWaalsContact C-N 3.29Å; E617-E619 PolarHBondContact O-N 3.23Å; E619-N621 PolarHBondContact O-N 3.45Å; E619-N621 VanDerWaalsContact O-N 3.12Å; E619-N621 PolarHBondContact O-ND2 3.48Å
620S81.4Confident84.4Confident90 Ų9066.5 Ų66.563%0.62937%0.373SS*.G310 helixtrans-68.9-5.717673.80000114.2E617 C618 P622E617-S620 WeakPolarHBondContact O-CB 3.29Å; E617-S620 PolarHBondContact O-N 3.2Å; E617-S620 PolarHBondContact O-OG 3.29Å; C618-S620 PolarHBondContact O-N 2.85Å; S620-P622 WeakPolarHBondContact OG-CD 3.45Å
621N81.1Confident84.1Confident128 Ų12865.4 Ų65.468%0.68437%0.37SS*.  trans51.854.8-173.8-70.1-102.5000113C618 E619 C623C618-N621 PolarHBondContact O-N 2.85Å; E619-N621 PolarHBondContact O-N 3.45Å; E619-N621 VanDerWaalsContact O-N 3.12Å; E619-N621 PolarHBondContact O-ND2 3.48Å; N621-C623 VanDerWaalsContact C-N 3.28Å; N621-C623 PolarHBondContact O-N 3.2Å
622P84.1Confident83.7Confident14 Ų1469.9 Ų69.99%0.09139%0.391CS..  trans-73.3-17.7-172.231.9-35.9000113.5S620 H624 Y636 S648S620-P622 WeakPolarHBondContact OG-CD 3.45Å; P622-H624 PolarHBondContact O-N 3.23Å; P622-Y636 HydrophobicContact CB-CD1 4.3Å; P622-Y636 HydrophobicContact CB-CD2 4.14Å; P622-Y636 HydrophobicContact CB-CE1 3.85Å; P622-Y636 HydrophobicContact CB-CE2 3.68Å; P622-Y636 HydrophobicContact CB-CG 4.44Å; P622-Y636 HydrophobicContact CG-CD1 3.89Å; P622-Y636 HydrophobicContact CG-CD2 3.63Å; P622-Y636 HydrophobicContact CG-CE1 3.97Å; P622-Y636 HydrophobicContact CG-CE2 3.72Å; P622-Y636 HydrophobicContact CG-CG 3.73Å; P622-S648 VanDerWaalsContact O-CB 3.24Å; P622-S648 WeakPolarHBondContact O-CB 3.03Å
623C85.7Confident83.1Confident19 Ų1969.7 Ų69.713%0.12840%0.399CS..  trans-82.8112.9-178.9-53.30000111.8N621 G627 C629 C638N621-C623 VanDerWaalsContact C-N 3.28Å; N621-C623 PolarHBondContact O-N 3.2Å; C623-G627 WeakPolarHBondContact CB-O 3.12Å; C623-C629 HydrophobicContact CB-CB 4.45Å; C623-C629 WeakPolarHBondContact SG-CA 3.04Å; C623-C629 WeakPolarHBondContact SG-CB 3.06Å; C623-C629 VanDerWaalsContact SG-SG 3.6Å; C623-C638 WeakPolarHBondContact CA-SG 3.06Å; C623-C638 HydrophobicContact CB-CB 3.79Å; C623-C638 WeakPolarHBondContact CB-SG 3.49Å; C623-C638 WeakPolarHBondContact SG-CA 3.43Å; C623-C638 WeakPolarHBondContact SG-CB 3.44Å; C623-C638 CovalentContact SG-SG 2.03Å; C623-C638 PolarHBondContact SG-SG 3.14Å
624H83.1Confident82.5Confident97 Ų9770.4 Ų70.445%0.44940%0.401SS..  trans-81170.7179.3-59.3-42.9000112.7P622 G626 G627 S648P622-H624 PolarHBondContact O-N 3.23Å; H624-G626 PolarHBondContact O-N 3.22Å; H624-G627 PolarHBondContact O-N 3Å; H624-S648 WeakPolarHBondContact CB-O 3.02Å; H624-S648 PolarHBondContact N-O 3.33Å
625H81.6Confident82.3Confident106 Ų10668.8 Ų68.849%0.49140%0.397SS..THydrogen-bonded Turntrans55.222.4173.8-51.3111000116.2W644 C649H625-W644 HydrophobicContact CB-CD2 4.32Å; H625-W644 AromaticContact CD2-CH2 3.89Å; H625-W644 AromaticContact CD2-CZ2 3.99Å; H625-W644 AromaticContact CE1-CE3 3.92Å; H625-W644 AromaticContact CE1-CH2 3.47Å; H625-W644 VanDerWaalsContact CE1-CH2 3.47Å; H625-W644 WeakPolarHBondContact CE1-CH2 3.37Å; H625-W644 AromaticContact CE1-CZ3 3.29Å; H625-W644 WeakPolarHBondContact CE1-CZ3 3.22Å; H625-W644 AromaticContact CG-CH2 3.93Å; H625-W644 AromaticContact CG-CZ2 3.93Å; H625-W644 AromaticContact ND1-CD2 3.92Å; H625-W644 AromaticContact ND1-CE3 3.49Å; H625-W644 AromaticContact ND1-CH2 3.68Å; H625-W644 AromaticContact ND1-CZ3 3.36Å; H625-W644 WeakPolarHBondContact ND1-CZ3 3.48Å; H625-W644 AromaticContact NE2-CH2 3.62Å; H625-W644 AromaticContact NE2-CZ3 3.94Å; H625-C649 PolarHBondContact ND1-O 2.8Å
626G79.1Confident82.4Confident69 Ų6969.7 Ų69.771%0.71140%0.397SS*.THydrogen-bonded Turntrans82.318.2-178.500000114.3H624H624-G626 PolarHBondContact O-N 3.22Å
627G84.2Confident82.5Confident13 Ų1368.8 Ų68.813%0.13439%0.394CS..PPolyproline II helixtrans-61.1143167.900000111.9C623 H624 H639C623-G627 WeakPolarHBondContact CB-O 3.12Å; H624-G627 PolarHBondContact O-N 3Å; G627-H639 CarbonylContact C-O 3.52Å; G627-H639 VanDerWaalsContact CA-O 3.25Å; G627-H639 WeakPolarHBondContact CA-O 3.43Å
628T86.2Confident82.7Confident92 Ų9267.2 Ų67.256%0.56439%0.388SS*.EExtended strand (participates in β ladder)trans-86.4123.3177.2-57.40000109.6H639T628-H639 PolarHBondContact N-O 2.69Å; T628-H639 PolarHBondContact O-N 3.16Å
629C88.2Confident82.8Confident37 Ų3771.6 Ų71.625%0.2541%0.406CS..EExtended strand (participates in β ladder)trans-80.3133.2176.4-159.60000111C618 C623C618-C629 WeakPolarHBondContact CA-SG 3.48Å; C618-C629 HydrophobicContact CB-CB 3.75Å; C618-C629 WeakPolarHBondContact CB-SG 3.04Å; C618-C629 WeakPolarHBondContact SG-CB 3.47Å; C618-C629 CovalentContact SG-SG 2.04Å; C618-C629 PolarHBondContact SG-SG 3.25Å; C623-C629 HydrophobicContact CB-CB 4.45Å; C623-C629 WeakPolarHBondContact SG-CA 3.04Å; C623-C629 WeakPolarHBondContact SG-CB 3.06Å; C623-C629 VanDerWaalsContact SG-SG 3.6Å
630I84.6Confident82.9Confident77 Ų7765.9 Ų65.940%0.39538%0.384SS..EExtended strand (participates in β ladder)trans-121125166.4-61.2-170.3000108.4C618 T637 H639C618-I630 VanDerWaalsContact SG-C 3.52Å; I630-T637 PolarHBondContact N-O 2.95Å; I630-T637 PolarHBondContact O-N 2.84Å; I630-H639 VanDerWaalsContact CD1-CD2 3.48Å; I630-H639 WeakPolarHBondContact CD1-CD2 3.42Å
631D82.6Confident82.9Confident55 Ų5564 Ų6429%0.29437%0.369SS..EExtended strand (participates in β ladder)trans-73.4143.7180-147.648.5000111.3N616 E617 C618N616-D631 VanDerWaalsContact CA-OD1 3.27Å; N616-D631 WeakPolarHBondContact CA-OD1 3.35Å; N616-D631 WeakPolarHBondContact CA-OD2 3.34Å; N616-D631 PolarHBondContact ND2-OD1 3.21Å; N616-D631 PolarHBondContact ND2-OD2 2.04Å; E617-D631 PolarHBondContact N-OD1 3.18Å; E617-D631 VanDerWaalsContact N-OD1 3.16Å; C618-D631 PolarHBondContact N-OD1 2.81Å; C618-D631 PolarHBondContact SG-N 3.45Å
632Q79.9Confident82.8Confident95 Ų9566.6 Ų66.644%0.44438%0.382SS..EExtended strand (participates in β ladder)trans-143.9160177.5-52.8179-1900109.4N634 G635 T637Q632-N634 PolarHBondContact O-N 2.03Å; Q632-G635 CarbonylContact C-O 3.44Å; Q632-G635 VanDerWaalsContact C-O 3.29Å; Q632-G635 VanDerWaalsContact CA-O 3.24Å; Q632-G635 WeakPolarHBondContact CA-O 3.02Å; Q632-G635 WeakPolarHBondContact CB-O 3.38Å; Q632-G635 PolarHBondContact N-O 3.16Å; Q632-G635 PolarHBondContact O-N 3.46Å; Q632-T637 PolarHBondContact NE2-OG1 2.04Å; Q632-T637 PolarHBondContact OE1-OG1 3.4Å
633S75.7Confident82.4Confident83 Ų8367.7 Ų67.758%0.5840%0.396SS*.THydrogen-bonded Turntrans-61.6110.3179.453.90000111.3Y606Y606-S633 VanDerWaalsContact OH-CB 3.25Å; Y606-S633 WeakPolarHBondContact OH-CB 3.04Å
634N72.6Confident82.2Confident85 Ų8570.2 Ų70.246%0.45540%0.403SS..THydrogen-bonded Turntrans55.754.6-173.8177.887.4000112S604 G605 Q632S604-N634 WeakPolarHBondContact CB-OD1 3.31Å; S604-N634 PolarHBondContact O-OD1 2.83Å; G605-N634 PolarHBondContact N-OD1 3.25Å; Q632-N634 PolarHBondContact O-N 2.03Å
635G80.3Confident82.1Confident22 Ų2268.3 Ų68.323%0.22740%0.398CS..EExtended strand (participates in β ladder)trans161.7161.9169.300000113.4E617 Q632E617-G635 WeakPolarHBondContact OE2-CA 3.31Å; E617-G635 PolarHBondContact OE2-N 2.85Å; Q632-G635 CarbonylContact C-O 3.44Å; Q632-G635 VanDerWaalsContact C-O 3.29Å; Q632-G635 VanDerWaalsContact CA-O 3.24Å; Q632-G635 WeakPolarHBondContact CA-O 3.02Å; Q632-G635 WeakPolarHBondContact CB-O 3.38Å; Q632-G635 PolarHBondContact N-O 3.16Å; Q632-G635 PolarHBondContact O-N 3.46Å
636Y85.3Confident82.1Confident86 Ų8664.4 Ų64.434%0.33739%0.387SS..EExtended strand (participates in β ladder)trans-115.1156.7170.763.9-88.4000111.6E617 P622E617-Y636 HydrophobicContact CB-CD1 3.96Å; P622-Y636 HydrophobicContact CB-CD1 4.3Å; P622-Y636 HydrophobicContact CB-CD2 4.14Å; P622-Y636 HydrophobicContact CB-CE1 3.85Å; P622-Y636 HydrophobicContact CB-CE2 3.68Å; P622-Y636 HydrophobicContact CB-CG 4.44Å; P622-Y636 HydrophobicContact CG-CD1 3.89Å; P622-Y636 HydrophobicContact CG-CD2 3.63Å; P622-Y636 HydrophobicContact CG-CE1 3.97Å; P622-Y636 HydrophobicContact CG-CE2 3.72Å; P622-Y636 HydrophobicContact CG-CG 3.73Å
637T85.6Confident82.2Confident49 Ų4965.6 Ų65.630%0.30138%0.382SS..EExtended strand (participates in β ladder)trans-122.8123.3168.1-76.40000109.8I630 Q632I630-T637 PolarHBondContact N-O 2.95Å; I630-T637 PolarHBondContact O-N 2.84Å; Q632-T637 PolarHBondContact NE2-OG1 2.04Å; Q632-T637 PolarHBondContact OE1-OG1 3.4Å
638C87Confident82.2Confident14 Ų1465.8 Ų65.810%0.09538%0.381CS..EExtended strand (participates in β ladder)trans-89.6127.1172.8-62.80000112C623 P647 C649C623-C638 WeakPolarHBondContact CA-SG 3.06Å; C623-C638 HydrophobicContact CB-CB 3.79Å; C623-C638 WeakPolarHBondContact CB-SG 3.49Å; C623-C638 WeakPolarHBondContact SG-CA 3.43Å; C623-C638 WeakPolarHBondContact SG-CB 3.44Å; C623-C638 CovalentContact SG-SG 2.03Å; C623-C638 PolarHBondContact SG-SG 3.14Å; C638-P647 WeakPolarHBondContact CB-O 3.49Å; C638-P647 PolarHBondContact SG-O 2.87Å; C638-C649 WeakPolarHBondContact CB-SG 3.32Å
639H87.4Confident82.2Confident111 Ų11161.4 Ų61.451%0.51435%0.354SS..EExtended strand (participates in β ladder)trans-89106.3166-74.8-34.6000110.4G627 T628 I630G627-H639 CarbonylContact C-O 3.52Å; G627-H639 VanDerWaalsContact CA-O 3.25Å; G627-H639 WeakPolarHBondContact CA-O 3.43Å; T628-H639 PolarHBondContact N-O 2.69Å; T628-H639 PolarHBondContact O-N 3.16Å; I630-H639 VanDerWaalsContact CD1-CD2 3.48Å; I630-H639 WeakPolarHBondContact CD1-CD2 3.42Å
640C84.8Confident82Confident42 Ų4263.3 Ų63.328%0.28436%0.359SS..PPolyproline II helixtrans-83.7145.1-172.5-530000113.7W644 C649C640-W644 HydrophobicContact CB-CB 4.2Å; C640-W644 VanDerWaalsContact CB-O 3.26Å; C640-W644 WeakPolarHBondContact CB-O 3.36Å; C640-C649 WeakPolarHBondContact CA-SG 3.39Å; C640-C649 HydrophobicContact CB-CB 3.73Å; C640-C649 WeakPolarHBondContact CB-SG 3.23Å; C640-C649 WeakPolarHBondContact SG-CA 3.49Å; C640-C649 WeakPolarHBondContact SG-CB 3.37Å; C640-C649 CovalentContact SG-SG 2.04Å; C640-C649 PolarHBondContact SG-SG 2.04Å
641P82.6Confident81.8Confident51 Ų5163.7 Ų63.733%0.33136%0.361SS..PPolyproline II helixtrans-69.2155.5171.129.6-34000111.7G643 W644P641-G643 PolarHBondContact O-N 2.87Å; P641-W644 HydrophobicContact CG-CG 4.48Å; P641-W644 PolarHBondContact O-N 3.16Å
642L77.6Confident81.4Confident182 Ų18265.7 Ų65.795%0.95337%0.369SS*.THydrogen-bonded Turntrans-51.9123.9-176.5-65.9172.2000112.3
643G75.8Confident80.9Confident37 Ų3764.7 Ų64.738%0.38137%0.366SS..THydrogen-bonded Turntrans105.3-20.6-177.100000114.3P641 L653P641-G643 PolarHBondContact O-N 2.87Å; G643-L653 PolarHBondContact O-N 3.37Å
644W82.2Confident80.2Confident72 Ų7269 Ų6927%0.27338%0.377SS..EExtended strand (participates in β ladder)trans-105.6143.1178.4-62.587.6000112H625 C640 P641 C649 I651 H652H625-W644 HydrophobicContact CB-CD2 4.32Å; H625-W644 AromaticContact CD2-CH2 3.89Å; H625-W644 AromaticContact CD2-CZ2 3.99Å; H625-W644 AromaticContact CE1-CE3 3.92Å; H625-W644 AromaticContact CE1-CH2 3.47Å; H625-W644 VanDerWaalsContact CE1-CH2 3.47Å; H625-W644 WeakPolarHBondContact CE1-CH2 3.37Å; H625-W644 AromaticContact CE1-CZ3 3.29Å; H625-W644 WeakPolarHBondContact CE1-CZ3 3.22Å; H625-W644 AromaticContact CG-CH2 3.93Å; H625-W644 AromaticContact CG-CZ2 3.93Å; H625-W644 AromaticContact ND1-CD2 3.92Å; H625-W644 AromaticContact ND1-CE3 3.49Å; H625-W644 AromaticContact ND1-CH2 3.68Å; H625-W644 AromaticContact ND1-CZ3 3.36Å; H625-W644 WeakPolarHBondContact ND1-CZ3 3.48Å; H625-W644 AromaticContact NE2-CH2 3.62Å; H625-W644 AromaticContact NE2-CZ3 3.94Å; C640-W644 HydrophobicContact CB-CB 4.2Å; C640-W644 VanDerWaalsContact CB-O 3.26Å; C640-W644 WeakPolarHBondContact CB-O 3.36Å; P641-W644 HydrophobicContact CG-CG 4.48Å; P641-W644 PolarHBondContact O-N 3.16Å; W644-C649 HydrophobicContact CB-CB 4.47Å; W644-C649 VanDerWaalsContact CE3-O 3.29Å; W644-I651 CarbonylContact C-O 3.57Å; W644-I651 WeakPolarHBondContact CA-O 3.31Å; W644-H652 HydrophobicContact CD2-CB 4.37Å; W644-H652 AromaticContact CE2-CD2 3.96Å; W644-H652 HydrophobicContact CE3-CB 4Å; W644-H652 HydrophobicContact CH2-CB 4.12Å; W644-H652 HydrophobicContact CZ2-CB 4.46Å; W644-H652 HydrophobicContact CZ3-CB 3.86Å
645V80.7Confident79.2Confident56 Ų5675.4 Ų75.434%0.33940%0.395SS..EExtended strand (participates in β ladder)trans-144.3-177.2175.2-59.40000109.7E650 I651 L653V645-E650 PolarHBondContact O-N 2.03Å; V645-I651 HydrophobicContact CG2-CB 3.98Å; V645-I651 HydrophobicContact CG2-CG2 4.22Å; V645-I651 PolarHBondContact N-O 2.04Å; V645-I651 WeakPolarHBondContact O-CA 3.31Å; V645-I651 WeakPolarHBondContact O-CB 3.26Å; V645-I651 PolarHBondContact O-N 3.35Å; V645-L653 HydrophobicContact CG1-CD1 3.69Å; V645-L653 HydrophobicContact CG1-CG 4.07Å; V645-L653 HydrophobicContact CG2-CD1 4.31Å; V645-L653 HydrophobicContact CG2-CD2 3.83Å; V645-L653 HydrophobicContact CG2-CG 3.81Å
646G82.1Confident77Confident25 Ų2584 Ų8426%0.25843%0.426SS..SBendtrans96.9158.7-173.400000111.7S648 C649 E650G646-S648 PolarHBondContact O-N 3.35Å; G646-C649 PolarHBondContact O-N 3.36Å; G646-E650 VanDerWaalsContact CA-OE2 3.27Å; G646-E650 WeakPolarHBondContact CA-OE2 3.25Å
647P81.4Confident75.2Confident93 Ų9385.7 Ų85.760%0.60445%0.448SS*.THydrogen-bonded Turntrans-57.7-29.1-175.423.3-36000114.1C638 E650C638-P647 WeakPolarHBondContact CB-O 3.49Å; C638-P647 PolarHBondContact SG-O 2.87Å; P647-E650 VanDerWaalsContact CD-OE1 3.3Å; P647-E650 WeakPolarHBondContact CD-OE1 3.21Å
648S84.5Confident72.6Confident18 Ų1887.8 Ų87.813%0.12647%0.47CS..THydrogen-bonded Turntrans-115.717178.854.50000113.4P622 H624 G646 E650P622-S648 VanDerWaalsContact O-CB 3.24Å; P622-S648 WeakPolarHBondContact O-CB 3.03Å; H624-S648 WeakPolarHBondContact CB-O 3.02Å; H624-S648 PolarHBondContact N-O 3.33Å; G646-S648 PolarHBondContact O-N 3.35Å; S648-E650 VanDerWaalsContact C-N 3.27Å; S648-E650 PolarHBondContact N-OE2 3.04Å; S648-E650 PolarHBondContact O-N 3.02Å; S648-E650 PolarHBondContact OG-OE2 3.37Å
649C85.6Confident70.3Confident0 Ų095.9 Ų95.90%051%0.506CS..SBendtrans5936.7-176-50.40000113.5H625 C638 C640 W644 G646H625-C649 PolarHBondContact ND1-O 2.8Å; C638-C649 WeakPolarHBondContact CB-SG 3.32Å; C640-C649 WeakPolarHBondContact CA-SG 3.39Å; C640-C649 HydrophobicContact CB-CB 3.73Å; C640-C649 WeakPolarHBondContact CB-SG 3.23Å; C640-C649 WeakPolarHBondContact SG-CA 3.49Å; C640-C649 WeakPolarHBondContact SG-CB 3.37Å; C640-C649 CovalentContact SG-SG 2.04Å; C640-C649 PolarHBondContact SG-SG 2.04Å; W644-C649 HydrophobicContact CB-CB 4.47Å; W644-C649 VanDerWaalsContact CE3-O 3.29Å; G646-C649 PolarHBondContact O-N 3.36Å
650E84.3Confident68Low76 Ų7696.5 Ų96.536%0.35552%0.518SS..  trans-93.2-18-174.177.9-75.1-164.200113.8V645 G646 P647 S648V645-E650 PolarHBondContact O-N 2.03Å; G646-E650 VanDerWaalsContact CA-OE2 3.27Å; G646-E650 WeakPolarHBondContact CA-OE2 3.25Å; P647-E650 VanDerWaalsContact CD-OE1 3.3Å; P647-E650 WeakPolarHBondContact CD-OE1 3.21Å; S648-E650 VanDerWaalsContact C-N 3.27Å; S648-E650 PolarHBondContact N-OE2 3.04Å; S648-E650 PolarHBondContact O-N 3.02Å; S648-E650 PolarHBondContact OG-OE2 3.37Å
651I79.3Confident66Low86 Ų86103.5 Ų103.544%0.44155%0.546SS..EExtended strand (participates in β ladder)trans-102.8117.6-173.9-47.2177.5000110.6W644 V645W644-I651 CarbonylContact C-O 3.57Å; W644-I651 WeakPolarHBondContact CA-O 3.31Å; V645-I651 HydrophobicContact CG2-CB 3.98Å; V645-I651 HydrophobicContact CG2-CG2 4.22Å; V645-I651 PolarHBondContact N-O 2.04Å; V645-I651 WeakPolarHBondContact O-CA 3.31Å; V645-I651 WeakPolarHBondContact O-CB 3.26Å; V645-I651 PolarHBondContact O-N 3.35Å
652H74.6Confident63.8Low96 Ų96108.9 Ų108.944%0.44457%0.572SS.*EExtended strand (participates in β ladder)trans-89.7121.6172.9-176.8-73.5000111.3W644 Q654W644-H652 HydrophobicContact CD2-CB 4.37Å; W644-H652 AromaticContact CE2-CD2 3.96Å; W644-H652 HydrophobicContact CE3-CB 4Å; W644-H652 HydrophobicContact CH2-CB 4.12Å; W644-H652 HydrophobicContact CZ2-CB 4.46Å; W644-H652 HydrophobicContact CZ3-CB 3.86Å; H652-Q654 PolarHBondContact O-N 2.04Å
653L70.4Confident62.3Low75 Ų75106.4 Ų106.439%0.39357%0.565SS.*  trans-70.9115.3-174.9-77.1175.1000113.3G643 V645G643-L653 PolarHBondContact O-N 3.37Å; V645-L653 HydrophobicContact CG1-CD1 3.69Å; V645-L653 HydrophobicContact CG1-CG 4.07Å; V645-L653 HydrophobicContact CG2-CD1 4.31Å; V645-L653 HydrophobicContact CG2-CD2 3.83Å; V645-L653 HydrophobicContact CG2-CG 3.81Å
654Q59.6Low60.8Low172 Ų172113.3 Ų113.380%0.80459%0.592SS**  trans-124.2109.5164.5-62.6-169.910.200109.5H652H652-Q654 PolarHBondContact O-N 2.04Å
655W52.7Low59.3Low220 Ų220115.7 Ų115.783%0.83362%0.615SS**  trans-87.6129.6-171.3-76.383.4000113.2
656K34Very low57.3Low202 Ų202121 Ų12188%0.87864%0.641SS**  trans-150111.2168-150.1175.4-172.5-179.90109.6
657P48.2Very low55.3Low123 Ų123128 Ų12880%0.79967%0.669SS**  trans-97.9127-164.734.6-33.7000114.9
658A30.3Very low54Low92 Ų92128.1 Ų128.176%0.7667%0.67SS**  trans179.4147.5161.100000107.9
659H38.3Very low52.9Low184 Ų184137.9 Ų137.985%0.85270%0.704SS**  cis-153.6158.8-14.2-131-84.8000107.5
660T39Very low51.6Low124 Ų124144.9 Ų144.976%0.76174%0.737SS**  trans-108.7136.6176.351.60000111.8
661E42.5Very low50.5Low190 Ų190144.7 Ų144.789%0.88874%0.744SS**  trans-163.8135.8136.6-76.7-141.5134.800109.3
662D37.7Very low49.8Very low164 Ų164145.6 Ų145.688%0.87775%0.749SS**  -178132121.9-118.8-28.9000110.4
663T46.2Very low49.3Very low130 Ų130149.1 Ų149.180%0.79876%0.759SS**  trans-112.5118.5-178.155.30000112
664L43.3Very low49.1Very low181 Ų181151.7 Ų151.795%0.94877%0.772SS**  trans-10499.3-175.8-16176.1000113
665T50Low49.5Very low123 Ų123148.4 Ų148.476%0.75576%0.759SS**  trans-101.6104.9173.355.40000112.1
666N38.7Very low50.6Low167 Ų167142.1 Ų142.189%0.89374%0.741SS**  trans-167.7142.2150.6-115-74.2000112
667M39.8Very low52.6Low172 Ų172134.1 Ų134.185%0.84772%0.716SS**  trans-140122178.6-161.4-175.7-150.400110
668P54.3Low53.8Low95 Ų95131.1 Ų131.162%0.61770%0.702SS**  trans-86146.1-168.932.5-35.2000113.9H670P668-H670 PolarHBondContact O-N 2.91Å
669R61.2Low56.2Low224 Ų224132.4 Ų132.485%0.84570%0.695SS**THydrogen-bonded Turntrans-68.48.2-173.9-62.5-179.6178.9170.5-0.7116.4
670H60.3Low58.3Low147 Ų147127.4 Ų127.468%0.68168%0.68SS**Hα-helixtrans-73.9-29.7-173.4-77.8122.5000114.6P668 L672 Y673P668-H670 PolarHBondContact O-N 2.91Å; H670-L672 VanDerWaalsContact C-N 3.29Å; H670-L672 PolarHBondContact O-N 3.39Å; H670-Y673 PolarHBondContact O-N 3.4Å
671S60.6Low60.3Low72 Ų72125.8 Ų125.850%0.50367%0.67SS.*Hα-helixtrans-61.1-35.3-179.349.70000113.3Y673 I674 I675S671-Y673 PolarHBondContact O-N 2.82Å; S671-I674 PolarHBondContact O-N 3.34Å; S671-I675 WeakPolarHBondContact O-CG1 3.39Å; S671-I675 PolarHBondContact O-N 2.79Å
672L63.2Low62Low105 Ų105119.4 Ų119.455%0.5565%0.649SS.*Hα-helixtrans-61.6-41.4-177-171.467.1000112.7H670 I676H670-L672 VanDerWaalsContact C-N 3.29Å; H670-L672 PolarHBondContact O-N 3.39Å; L672-I676 HydrophobicContact CG-CD1 4.19Å; L672-I676 WeakPolarHBondContact O-CG1 3.42Å; L672-I676 PolarHBondContact O-N 2.66Å
673Y64.8Low64.3Low169 Ų169118.4 Ų118.466%0.66364%0.637SS**Hα-helixtrans-70.7-34.2-179-69.9-77.1000112.8H670 S671 I676 G677H670-Y673 PolarHBondContact O-N 3.4Å; S671-Y673 PolarHBondContact O-N 2.82Å; Y673-I676 PolarHBondContact O-N 2.83Å; Y673-G677 PolarHBondContact O-N 3.22Å
674I67.3Low66Low129 Ų129116.1 Ų116.166%0.66262%0.623SS**Hα-helixtrans-68-41.1177.6-63.6179.5000110.6S671 G677 A678S671-I674 PolarHBondContact O-N 3.34Å; I674-G677 PolarHBondContact O-N 2.92Å; I674-A678 PolarHBondContact O-N 2.98Å
675I68Low67.8Low103 Ų103112.1 Ų112.153%0.52860%0.602SS.*Hα-helixtrans-62.6-44.6176.8-65.1164.8000110.9S671 A678 L679S671-I675 WeakPolarHBondContact O-CG1 3.39Å; S671-I675 PolarHBondContact O-N 2.79Å; I675-A678 PolarHBondContact O-N 2.86Å; I675-L679 HydrophobicContact CG2-CD1 4.35Å; I675-L679 WeakPolarHBondContact O-CG 3.27Å; I675-L679 PolarHBondContact O-N 2.88Å
676I74.8Confident69.3Low88 Ų88112.8 Ų112.845%0.45160%0.598SS.*Hα-helixtrans-63.8-43.2177.4-66.4166.4000110.9L672 Y673 A678 L679 C680L672-I676 HydrophobicContact CG-CD1 4.19Å; L672-I676 WeakPolarHBondContact O-CG1 3.42Å; L672-I676 PolarHBondContact O-N 2.66Å; Y673-I676 PolarHBondContact O-N 2.83Å; I676-A678 PolarHBondContact O-N 2.75Å; I676-L679 PolarHBondContact O-N 2.96Å; I676-C680 PolarHBondContact O-N 3.08Å; I676-C680 PolarHBondContact O-SG 2.64Å
677G75.2Confident71.4Confident35 Ų35108.7 Ų108.736%0.36158%0.576SS.*Hα-helixtrans-60-44.2176.900000113.3Y673 I674 L679 C680 V681Y673-G677 PolarHBondContact O-N 3.22Å; I674-G677 PolarHBondContact O-N 2.92Å; G677-L679 PolarHBondContact O-N 2.93Å; G677-C680 PolarHBondContact O-N 2.97Å; G677-V681 PolarHBondContact O-N 2.79Å
678A74.8Confident73.3Confident60 Ų60104.8 Ų104.850%0.49656%0.558SS.*Hα-helixtrans-62-41.4178.900000112.8I674 I675 I676 V681 A682I674-A678 PolarHBondContact O-N 2.98Å; I675-A678 PolarHBondContact O-N 2.86Å; I676-A678 PolarHBondContact O-N 2.75Å; A678-V681 PolarHBondContact O-N 3.22Å; A678-A682 PolarHBondContact O-N 3.2Å; A678-A682 VanDerWaalsContact O-N 3.07Å
679L79.9Confident74.5Confident119 Ų119105.9 Ų105.962%0.62356%0.557SS**Hα-helixtrans-64.9-39.3178.5-69.2170.4000112.3I675 I676 G677 A682 F683I675-L679 HydrophobicContact CG2-CD1 4.35Å; I675-L679 WeakPolarHBondContact O-CG 3.27Å; I675-L679 PolarHBondContact O-N 2.88Å; I676-L679 PolarHBondContact O-N 2.96Å; G677-L679 PolarHBondContact O-N 2.93Å; L679-A682 PolarHBondContact O-N 2.87Å; L679-F683 PolarHBondContact O-N 3.01Å; L679-F683 VanDerWaalsContact O-N 3.12Å
680C82.3Confident75.3Confident79 Ų79100.3 Ų100.353%0.53454%0.543SS..Hα-helixtrans-63.7-41.8175.7-69.10000112.5I676 G677 F683 V684I676-C680 PolarHBondContact O-N 3.08Å; I676-C680 PolarHBondContact O-SG 2.64Å; G677-C680 PolarHBondContact O-N 2.97Å; C680-F683 PolarHBondContact O-N 3.35Å; C680-V684 WeakPolarHBondContact O-CG2 3.4Å; C680-V684 PolarHBondContact O-N 3.11Å
681V82.3Confident76.1Confident90 Ų9097.8 Ų97.855%0.54553%0.534SS..Hα-helixtrans-66.3-42.9178.3175.50000111.3G677 A678 F683 V684 L685G677-V681 PolarHBondContact O-N 2.79Å; A678-V681 PolarHBondContact O-N 3.22Å; V681-F683 VanDerWaalsContact C-N 3.32Å; V681-F683 PolarHBondContact O-N 3.01Å; V681-V684 PolarHBondContact O-N 3.39Å; V681-L685 HydrophobicContact CG1-CD1 4.08Å; V681-L685 WeakPolarHBondContact O-CG 3.42Å; V681-L685 PolarHBondContact O-N 2.92Å; V681-L685 VanDerWaalsContact O-N 3.09Å
682A77.2Confident76.9Confident55 Ų5598.5 Ų98.546%0.45554%0.535SS..Hα-helixtrans-60.4-4017700000112.6A678 L679 L685 M686A678-A682 PolarHBondContact O-N 3.2Å; A678-A682 VanDerWaalsContact O-N 3.07Å; L679-A682 PolarHBondContact O-N 2.87Å; A682-L685 PolarHBondContact O-N 3.46Å; A682-M686 PolarHBondContact O-N 2.86Å; A682-M686 VanDerWaalsContact O-N 3.08Å
683F85.3Confident77.4Confident144 Ų14495 Ų9563%0.63252%0.524SS*.Hα-helixtrans-65.5-41.5178-171.3-100000112.7L679 C680 V681 M686 L687L679-F683 PolarHBondContact O-N 3.01Å; L679-F683 VanDerWaalsContact O-N 3.12Å; C680-F683 PolarHBondContact O-N 3.35Å; V681-F683 VanDerWaalsContact C-N 3.32Å; V681-F683 PolarHBondContact O-N 3.01Å; F683-M686 PolarHBondContact O-N 3.39Å; F683-L687 HydrophobicContact CD1-CD1 4.14Å; F683-L687 HydrophobicContact CE1-CD1 3.66Å; F683-L687 HydrophobicContact CZ-CD1 4.28Å; F683-L687 PolarHBondContact O-N 2.89Å; F683-L687 VanDerWaalsContact O-N 3.13Å
684V83.9Confident77.8Confident82 Ų8291.9 Ų91.950%0.49752%0.518SS..Hα-helixtrans-65-41.6176.6172.80000111.5C680 V681 L687 I688C680-V684 WeakPolarHBondContact O-CG2 3.4Å; C680-V684 PolarHBondContact O-N 3.11Å; V681-V684 PolarHBondContact O-N 3.39Å; V684-L687 WeakPolarHBondContact O-CB 3.31Å; V684-L687 PolarHBondContact O-N 2.83Å; V684-I688 HydrophobicContact CG1-CD1 3.97Å; V684-I688 WeakPolarHBondContact O-CG1 3.09Å; V684-I688 PolarHBondContact O-N 3.28Å
685L80.2Confident77.7Confident97 Ų9789.6 Ų89.651%0.50851%0.512SS..Hα-helixtrans-64.9-40.8177.6-70.3171.9000112.4V681 A682 L687 I688 I689V681-L685 HydrophobicContact CG1-CD1 4.08Å; V681-L685 WeakPolarHBondContact O-CG 3.42Å; V681-L685 PolarHBondContact O-N 2.92Å; V681-L685 VanDerWaalsContact O-N 3.09Å; A682-L685 PolarHBondContact O-N 3.46Å; L685-L687 VanDerWaalsContact C-N 3.34Å; L685-L687 PolarHBondContact O-N 3.1Å; L685-I688 PolarHBondContact O-N 3.48Å; L685-I689 WeakPolarHBondContact O-CG1 3.41Å; L685-I689 PolarHBondContact O-N 3.05Å
686M80.9Confident77.6Confident136 Ų13693.7 Ų93.767%0.6752%0.521SS*.Hα-helixtrans-58.9-42.9172.7-83.9-69-165.900112.4A682 F683 I689 L690A682-M686 PolarHBondContact O-N 2.86Å; A682-M686 VanDerWaalsContact O-N 3.08Å; F683-M686 PolarHBondContact O-N 3.39Å; M686-I689 PolarHBondContact O-N 3.25Å; M686-L690 WeakPolarHBondContact O-CB 3.14Å; M686-L690 PolarHBondContact O-N 2.88Å
687L82.3Confident77Confident81 Ų8194.9 Ų94.942%0.42453%0.527SS..Hα-helixtrans-62-42176.4-104.1163.3000112.5F683 V684 L685 L690 I691F683-L687 HydrophobicContact CD1-CD1 4.14Å; F683-L687 HydrophobicContact CE1-CD1 3.66Å; F683-L687 HydrophobicContact CZ-CD1 4.28Å; F683-L687 PolarHBondContact O-N 2.89Å; F683-L687 VanDerWaalsContact O-N 3.13Å; V684-L687 WeakPolarHBondContact O-CB 3.31Å; V684-L687 PolarHBondContact O-N 2.83Å; L685-L687 VanDerWaalsContact C-N 3.34Å; L685-L687 PolarHBondContact O-N 3.1Å; L687-L690 PolarHBondContact O-N 2.95Å; L687-I691 HydrophobicContact CD2-CD1 4.49Å; L687-I691 WeakPolarHBondContact O-CD1 3.37Å; L687-I691 VanDerWaalsContact O-CG1 3.27Å; L687-I691 WeakPolarHBondContact O-CG1 3.44Å; L687-I691 PolarHBondContact O-N 2.83Å
688I80.3Confident76.2Confident91 Ų9196.5 Ų96.547%0.46753%0.533SS..Hα-helixtrans-64.3-44.8177.4-67.6165.4000110.9V684 L685 L690 I691 V692V684-I688 HydrophobicContact CG1-CD1 3.97Å; V684-I688 WeakPolarHBondContact O-CG1 3.09Å; V684-I688 PolarHBondContact O-N 3.28Å; L685-I688 PolarHBondContact O-N 3.48Å; I688-L690 VanDerWaalsContact C-N 3.34Å; I688-L690 PolarHBondContact O-N 2.85Å; I688-I691 PolarHBondContact O-N 3.12Å; I688-V692 WeakPolarHBondContact O-CG2 3.46Å; I688-V692 PolarHBondContact O-N 2.88Å
689I79.2Confident75.3Confident118 Ų118103.8 Ų103.861%0.60555%0.548SS*.Hα-helixtrans-61.3-43177.5-67.9165.8000110.8L685 M686 V692 G693L685-I689 WeakPolarHBondContact O-CG1 3.41Å; L685-I689 PolarHBondContact O-N 3.05Å; M686-I689 PolarHBondContact O-N 3.25Å; I689-V692 PolarHBondContact O-N 3.11Å; I689-G693 PolarHBondContact O-N 3.02Å
690L78Confident74.1Confident106 Ų106104.2 Ų104.256%0.55555%0.55SS*.Hα-helixtrans-64-42.2178.7-174.5146.1000112.1M686 L687 I688 G693 I694M686-L690 WeakPolarHBondContact O-CB 3.14Å; M686-L690 PolarHBondContact O-N 2.88Å; L687-L690 PolarHBondContact O-N 2.95Å; I688-L690 VanDerWaalsContact C-N 3.34Å; I688-L690 PolarHBondContact O-N 2.85Å; L690-G693 PolarHBondContact O-N 3.16Å; L690-I694 HydrophobicContact CD2-CD1 3.68Å; L690-I694 HydrophobicContact CG-CD1 4.45Å; L690-I694 WeakPolarHBondContact O-CG1 3.36Å; L690-I694 PolarHBondContact O-N 2.75Å; L690-I694 VanDerWaalsContact O-N 3.08Å
691I78.2Confident72.6Confident95 Ų95108 Ų10849%0.48756%0.56SS.*Hα-helixtrans-64.7-44.8175.9-68.7163.9000111.1L687 I688 G693 I694 C695L687-I691 HydrophobicContact CD2-CD1 4.49Å; L687-I691 WeakPolarHBondContact O-CD1 3.37Å; L687-I691 VanDerWaalsContact O-CG1 3.27Å; L687-I691 WeakPolarHBondContact O-CG1 3.44Å; L687-I691 PolarHBondContact O-N 2.83Å; I688-I691 PolarHBondContact O-N 3.12Å; I691-G693 VanDerWaalsContact C-N 3.32Å; I691-G693 PolarHBondContact O-N 2.97Å; I691-I694 PolarHBondContact O-N 2.74Å; I691-C695 PolarHBondContact O-N 2.92Å; I691-C695 VanDerWaalsContact O-N 3.07Å; I691-C695 PolarHBondContact O-SG 3.35Å; I691-C695 VanDerWaalsContact O-SG 3.41Å
692V77.7Confident70.9Confident87 Ų87113.9 Ų113.953%0.52757%0.573SS.*Hα-helixtrans-64.6-37177.2172.20000111.5I688 I689 C695 R696I688-V692 WeakPolarHBondContact O-CG2 3.46Å; I688-V692 PolarHBondContact O-N 2.88Å; I689-V692 PolarHBondContact O-N 3.11Å; V692-C695 PolarHBondContact O-N 2.7Å; V692-R696 PolarHBondContact O-N 2.78Å
693G73.9Confident69.3Low31 Ų31120.3 Ų120.332%0.3259%0.594SS.*Hα-helixtrans-60.7-49174.400000112.8I689 L690 I691 C695 R696 I697I689-G693 PolarHBondContact O-N 3.02Å; L690-G693 PolarHBondContact O-N 3.16Å; I691-G693 VanDerWaalsContact C-N 3.32Å; I691-G693 PolarHBondContact O-N 2.97Å; G693-C695 VanDerWaalsContact C-N 3.33Å; G693-C695 PolarHBondContact O-N 2.84Å; G693-R696 WeakPolarHBondContact O-CB 3.4Å; G693-R696 PolarHBondContact O-N 3.22Å; G693-R696 VanDerWaalsContact O-N 3.08Å; G693-I697 WeakPolarHBondContact O-CG1 3.29Å; G693-I697 PolarHBondContact O-N 2.87Å; G693-I697 VanDerWaalsContact O-N 3.08Å
694I73.1Confident67.3Low104 Ų104116.9 Ų116.953%0.53360%0.599SS.*Hα-helixtrans-60.9-42.1177.3-68169.6000111L690 I691 R696 I697 S698L690-I694 HydrophobicContact CD2-CD1 3.68Å; L690-I694 HydrophobicContact CG-CD1 4.45Å; L690-I694 WeakPolarHBondContact O-CG1 3.36Å; L690-I694 PolarHBondContact O-N 2.75Å; L690-I694 VanDerWaalsContact O-N 3.08Å; I691-I694 PolarHBondContact O-N 2.74Å; I694-R696 VanDerWaalsContact C-N 3.28Å; I694-R696 PolarHBondContact O-N 3.29Å; I694-I697 PolarHBondContact O-N 3.42Å; I694-S698 PolarHBondContact O-N 2.95Å; I694-S698 PolarHBondContact O-OG 2.75Å
695C64.1Low65.5Low80 Ų80118.3 Ų118.354%0.54161%0.613SS.*Hα-helixtrans-69.4-19.1175.6-69.80000114.5I691 V692 G693I691-C695 PolarHBondContact O-N 2.92Å; I691-C695 VanDerWaalsContact O-N 3.07Å; I691-C695 PolarHBondContact O-SG 3.35Å; I691-C695 VanDerWaalsContact O-SG 3.41Å; V692-C695 PolarHBondContact O-N 2.7Å; G693-C695 VanDerWaalsContact C-N 3.33Å; G693-C695 PolarHBondContact O-N 2.84Å
696R66.2Low63.7Low189 Ų189119.1 Ų119.171%0.71363%0.626SS**Hα-helixtrans-80.7-39.5172.5-104.3-74.2-173.2163.32.2111.9V692 G693 I694V692-R696 PolarHBondContact O-N 2.78Å; G693-R696 WeakPolarHBondContact O-CB 3.4Å; G693-R696 PolarHBondContact O-N 3.22Å; G693-R696 VanDerWaalsContact O-N 3.08Å; I694-R696 VanDerWaalsContact C-N 3.28Å; I694-R696 PolarHBondContact O-N 3.29Å
697I61.3Low61.5Low113 Ų113124 Ų12458%0.57964%0.638SS**Hα-helixtrans-68.9-46.5-178.4-68.6166.4000110.7G693 I694 R699 I700G693-I697 WeakPolarHBondContact O-CG1 3.29Å; G693-I697 PolarHBondContact O-N 2.87Å; G693-I697 VanDerWaalsContact O-N 3.08Å; I694-I697 PolarHBondContact O-N 3.42Å; I697-R699 PolarHBondContact O-N 2.94Å; I697-I700 PolarHBondContact O-N 3.26Å
698S59.7Low59.3Low70 Ų70129.5 Ų129.549%0.4966%0.661SS.*THydrogen-bonded Turntrans-66-8.8-177.957.90000115.4I694I694-S698 PolarHBondContact O-N 2.95Å; I694-S698 PolarHBondContact O-OG 2.75Å
699R55.8Low57.1Low212 Ų212128.7 Ų128.780%0.867%0.668SS**THydrogen-bonded Turntrans-83.8-18.7169.6-89-160.3179.4-157.42.8114.5I697I697-R699 PolarHBondContact O-N 2.94Å
700I54.8Low54.8Low129 Ų129133.4 Ų133.466%0.66268%0.679SS**THydrogen-bonded Turntrans-85.6-34-170.6-63.5175.3000111.3I697 Y702I697-I700 PolarHBondContact O-N 3.26Å; I700-Y702 VanDerWaalsContact C-N 3.33Å; I700-Y702 PolarHBondContact O-N 3.11Å
701E49.3Very low52.5Low159 Ų159135.9 Ų135.974%0.74369%0.688SS**G310 helixtrans-75.4-19.2-178.8-63.9-178.8129.400113.4Q703 G704E701-Q703 PolarHBondContact O-N 3.05Å; E701-G704 PolarHBondContact O-N 3.39Å
702Y47.4Very low50.6Low213 Ų213139.2 Ų139.284%0.83570%0.702SS**G310 helixtrans-82.60.2-173.4-117-78.9000116.1I700I700-Y702 VanDerWaalsContact C-N 3.33Å; I700-Y702 PolarHBondContact O-N 3.11Å
703Q42.8Very low48.3Very low190 Ų190142.5 Ų142.589%0.88871%0.709SS**G310 helixtrans-115.13.3169.2-66.4-161.6-68.500113.6E701E701-Q703 PolarHBondContact O-N 3.05Å
704G44.3Very low46.3Very low72 Ų72151.6 Ų151.674%0.74274%0.735SS**SBendtrans-82-6.4-176.900000116.1E701E701-G704 PolarHBondContact O-N 3.39Å
705S46Very low44.2Very low111 Ų111153.5 Ų153.578%0.77675%0.747SS**SBendtrans-148.874.8-169-178.70000114.7
706S42.8Very low42.4Very low114 Ų114155.2 Ų155.280%0.79776%0.758SS**SBendtrans-162.5138.7141.845.90000113.2
707R34.9Very low40.7Very low240 Ų240157.7 Ų157.791%0.90677%0.767SS**  trans67.7100.3172.4-69.2-173.9167.3-179.1-6.4118.5
708H34.6Very low39.2Very low196 Ų196156.6 Ų156.691%0.90777%0.77SS**  -112.1169.8126.7-134.3-98.7000108.6
709A35.7Very low38Very low74 Ų74160.5 Ų160.561%0.61278%0.784SS**  trans75.6148.2178.300000117.8
710Y30.4Very low36.8Very low216 Ų216157.8 Ų157.885%0.84779%0.785SS**  trans64.5125.7-166.1-59.5-85.3000113.9
711Q30.3Very low35.6Very low159 Ų159156.5 Ų156.574%0.74379%0.787SS**  cis-152.413414.5-160.1145.9-31.200113.6
712E36.9Very low35.1Very low165 Ų165157 Ų15777%0.77179%0.79SS**  trans-100160.1152.5-69.7-166.1142.600109.2
713F30.8Very low34.2Very low156 Ų156156 Ų15668%0.68479%0.79SS**  trans59.3121.1-178.6-59.3-93.4000113.8
714Y30Very low33.7Very low222 Ų222151.9 Ų151.987%0.87178%0.782SS**  cis-146.1169.344.9-119.9-91.6000113.7
715N30.3Very low33.1Very low144 Ų144156.9 Ų156.977%0.7779%0.792SS**  trans-104.4167.8179.3-132.4-23.5000112.3
716C27.1Very low32.5Very low115 Ų115155.6 Ų155.678%0.77779%0.788SS**  trans83147.7164.9-59.90000121.1
717R29Very low31.8Very low241 Ų241158.4 Ų158.491%0.90979%0.792SS**  trans66.3135.3177.3-86-18015685.40.5117.1
718S30.2Very low31.6Very low91 Ų91151.1 Ų151.164%0.63678%0.784SS**  cis-172.9158.9-17.742.10000110.2
719I33.9Very low31.3Very low152 Ų152147.7 Ų147.778%0.77978%0.781SS**  trans28.1121.8137.7-61.4168.2000115.8
720D30.5Very low31.2Very low154 Ų154151.3 Ų151.382%0.82479%0.789SS**  cis-162.1-167.331.6-144.1-32.4000112.6
721S31.1Very low31.1Very low102 Ų102152.5 Ų152.571%0.71379%0.792SS**  trans89.2126.7149.5-163.60000119.5
722E39Very low31.2Very low171 Ų171153 Ų15380%0.79979%0.794SS**  trans-47.9137157.4-46.5171.7125.500112.2
723F28.3Very low30.9Very low190 Ų190148.8 Ų148.883%0.83379%0.788SS**  -173172.5117.8-129.3-107.2000113.2
724S31.4Very low30.9Very low104 Ų104152.6 Ų152.673%0.72780%0.797SS**  trans73.956158.5-56.10000118.9
725N31.7Very low31Very low177 Ų177152.3 Ų152.395%0.94780%0.801SS**  trans-103.879.4153.2-125.4-15.3000109.9
726A33.3Very low31Very low84 Ų84148.3 Ų148.369%0.69479%0.794SS**  trans-158.6112.2179.400000114
727I28.5Very low31.2Very low174 Ų174152.2 Ų152.289%0.89280%0.798SS**  trans163.9154141.9-87.3158.2000109.3
728A30.3Very low31.4Very low87 Ų87150.1 Ų150.172%0.71980%0.795SS**  trans69.668.3-173.900000114.1
729S28.5Very low31.4Very low123 Ų123150.6 Ų150.686%0.8680%0.798SS**  57.994.251.1-1600000113.2
730I34.3Very low31.3Very low151 Ų151155 Ų15577%0.77481%0.805SS**  trans-78.1140.7-179-64.3162.2000110.7
731R28.9Very low31.4Very low241 Ų241153.8 Ų153.891%0.90981%0.806SS**  trans-89.9109.7162.6-164.2179.3-67-162.73111.1
732H30.9Very low31.3Very low169 Ų169153 Ų15378%0.78281%0.806SS**  trans-35.5162.6171.5-59-67.8000118.4
733A30.4Very low30.8Very low77 Ų77152.6 Ų152.664%0.63681%0.806SS**  cis175.6-174.1-18.800000109.7
734R30.7Very low31Very low236 Ų236153.7 Ų153.789%0.89181%0.806SS**  trans86.2134.8169.6-50.7169.7-176.6-178.61.3113
735F33.8Very low30.9Very low215 Ų215154.9 Ų154.994%0.94380%0.804SS**  cis-109.4165.312.8-66.8-102.5000113
736G29.2Very low30.8Very low61 Ų61151.5 Ų151.563%0.62980%0.801SS**  cis162.424.4-8.900000121.1
737K32.1Very low30.8Very low196 Ų196152.6 Ų152.685%0.85280%0.799SS**  trans-170.8119.9160.4-98.8141.2-173.2-1770109.3
738K32.7Very low31.1Very low197 Ų197150.3 Ų150.386%0.85780%0.796SS**  71.1126.288.6-75.2-168177-1720113.8
739S30Very low31.1Very low101 Ų101153.3 Ų153.371%0.70680%0.798SS**  cis-167138.7146.60000116.6
740R32Very low31.2Very low245 Ų245151.4 Ų151.493%0.92579%0.789SS**  trans68.6130157.8-67.6-173.5177.8-168.1-1.4118.7
741P32.6Very low31.1Very low129 Ų129155 Ų15584%0.83880%0.795SS**PPolyproline II helixtrans-86.5161.3168.137.1-34.3000111.8
742A29Very low31.2Very low86 Ų86151.7 Ų151.771%0.71179%0.79SS**PPolyproline II helixtrans-101.5126.5156.100000108.4Y744A742-Y744 HydrophobicContact CB-CD2 4.37Å; A742-Y744 HydrophobicContact CB-CE2 4.48Å
743M28.9Very low31.3Very low161 Ų161151.2 Ų151.279%0.79379%0.793SS**PPolyproline II helixtrans-85.3127.9168.6169.8-178.5171.100107.7
744Y31.9Very low31.3Very low213 Ų213158.5 Ų158.584%0.83581%0.806SS**  trans-141.5132.1166.2-88.7-74.4000109.5A742A742-Y744 HydrophobicContact CB-CD2 4.37Å; A742-Y744 HydrophobicContact CB-CE2 4.48Å
745D28.9Very low31.4Very low130 Ų130152.2 Ų152.270%0.69580%0.798SS**  trans-66.8132.9172.8-59.5-77.2000110.4T747D745-T747 PolarHBondContact O-N 3.05Å
746A30.5Very low31.6Very low106 Ų106147.8 Ų147.888%0.87679%0.79SS**  trans-82.889.8167.800000108.7
747T33.4Very low32.2Very low107 Ų107152.1 Ų152.166%0.65680%0.799SS**  trans-61.1146.5168.949.80000110.3D745 I749D745-T747 PolarHBondContact O-N 3.05Å; T747-I749 PolarHBondContact O-N 3.28Å
748P33.6Very low32.2Very low126 Ų126150.9 Ų150.982%0.81880%0.802SS**  trans-60124.5173.926.7-33.9000109.6A750P748-A750 PolarHBondContact O-N 2.79Å
749I31.5Very low32.2Very low150 Ų150150.4 Ų150.477%0.76980%0.8SS**  trans-75.9107.7177.5-64.2168.3000107.7T747T747-I749 PolarHBondContact O-N 3.28Å
750A29.6Very low32.6Very low82 Ų82151.4 Ų151.468%0.67880%0.804SS**  trans-69.8137.4161.200000108.9P748 E752P748-A750 PolarHBondContact O-N 2.79Å; A750-E752 PolarHBondContact O-N 2.95Å
751Y32.6Very low32.5Very low227 Ų227147.5 Ų147.589%0.8980%0.801SS**  trans-82.3106.8166-86.3-99000108.2
752E31.4Very low32.7Very low172 Ų172147.5 Ų147.580%0.80480%0.798SS**  trans-84.5163.9163.2-70.8-169.6145.800110.8A750A750-E752 PolarHBondContact O-N 2.95Å
753D32.6Very low32.8Very low159 Ų159149.2 Ų149.285%0.8580%0.8SS**  trans-61.6146.4-165.3-61.7-76000115.6
754Y30.7Very low33Very low230 Ų230149 Ų14990%0.90280%0.801SS**  trans-118.2115.5157.4-99.5-94.3000110.4
755S31.7Very low33.2Very low104 Ų104146.9 Ų146.973%0.72780%0.802SS**  trans-68.7141.6175.1-172.60000111.1D757S755-D757 PolarHBondContact O-N 3.27Å; S755-D757 VanDerWaalsContact O-N 3.15Å
756P39.5Very low33.4Very low121 Ų121149.6 Ų149.679%0.78681%0.808SS**  trans-88.881.6-168.935.3-36.9000113.6
757D41Very low33.9Very low153 Ų153150.9 Ų150.982%0.81881%0.805SS**  trans-142.678.4168.8-96.7-48.3000111.9S755S755-D757 PolarHBondContact O-N 3.27Å; S755-D757 VanDerWaalsContact O-N 3.15Å
758D31.7Very low34Very low169 Ų169154.7 Ų154.790%0.90481%0.812SS**  trans-164.8162.4132.2-127.4-34.1000113.2
759K33.8Very low34.5Very low188 Ų188155.6 Ų155.682%0.81781%0.811SS**  trans-93.8152.8-174.8-81174.1-179.1168.40113.7
760P36.8Very low34.6Very low122 Ų122160.2 Ų160.279%0.79284%0.835SS**  trans-73.2133.9-168.628.6-35.9000113.6
761L30.2Very low34.9Very low163 Ų163164.1 Ų164.185%0.85384%0.843SS**  trans-109.2111166.8-101.5162.6000109.8T763L761-T763 PolarHBondContact O-N 3.37Å
762V36.5Very low35Very low128 Ų128160.8 Ų160.878%0.77684%0.841SS**  trans-72.6122.2177.3178.20000109.8
763T31.9Very low35.2Very low123 Ų123160.2 Ų160.276%0.75584%0.843SS**  trans-126.5129.7168.449.20000111L761L761-T763 PolarHBondContact O-N 3.37Å
764L34.1Very low35.4Very low155 Ų155160.2 Ų160.281%0.81284%0.842SS**  trans-74.9127.7-177.3-75.566.8000110.2K766L764-K766 PolarHBondContact O-N 3.03Å
765I34.5Very low35.6Very low169 Ų169155.9 Ų155.987%0.86784%0.838SS**  trans-75.1111.7158.6-62.9-179.7000107.6
766K32.8Very low35.9Very low188 Ų188159.3 Ų159.382%0.81785%0.846SS**  trans-93.3111.6178.7-176.7176.9-176.2174.20108.9L764 K768L764-K766 PolarHBondContact O-N 3.03Å; K766-K768 PolarHBondContact O-N 3.21Å
767T42.9Very low35.7Very low132 Ų132162.1 Ų162.181%0.8185%0.85SS**  trans-57.9136.2170.948.10000110.4
768K35.6Very low35.2Very low187 Ų187162.8 Ų162.881%0.81385%0.853SS**  trans-148.1134.6162-171.3176.9178-1720109.6K766K766-K768 PolarHBondContact O-N 3.21Å
769D42.3Very low35.5Very low146 Ų146162.3 Ų162.378%0.78185%0.848SS**  trans-71.5143.9-175.2-30.8-98000112.3
770L35Very low35.7Very low246 Ų246159.9 Ų159.9100%1.28885%0.851SS**  trans-163.10141.6-112.8168.5000110.8

Retrieved 770 of 770 residues in 101.9 ms (Link to these results)