A0A3Q0KME6_SCHMA Loading...

Egf-like domain protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KME6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,692 aa.

>A0A3Q0KME6_SCHMA|A0A3Q0KME6
MKKLAMVIATISLLLTLTHGIQQHQQQQKNQNQKIDHKLKRNNLMNKTSQLSRFNHQQHSYHVQPKMMNVNLNESDEMKNATKDVINLITGLKNNNNDDDDETSLIDEEEDMELIDELKEYMPNVCFETNPKPRQYRQRIQIPYTKLTRVWEPNCETEGNWCIKYKEQTHYAVHYKTVFKTAPTKQLRCCPGFTRQPGYEGCVPVASDCNELNNYCQNDCGQIPGSRNCRCPPGYFLAPDKRRCLDIDECTYDRGGCMYFCENLPGGYRCACPSDMVLAPDKISCIPFFNPCEHPPNGDCEHICTSLPGYRYMCSCKPGYHLAENKKRCLPDNPCQINNGGCQHECHNVNGVVHCSCHEGYQLVPHDSKKCTDINECSMNNGGCQQLCRNVDGSYSCDCNPGWQIGNDGKSCYRVVLEVSDPCRFDNGGCTHICSRTDSGTAECSCSPGYDLQADGRTCSDRDECVIGEAKCYGQAVICINEPGTYRCECQTGFRISPDGHSCQDIDECLDDNGGCEFQCVNTIGGHRCLCDFGDELNPDGRTCSRSSSYVRDDSSTLFTPTKQNRKQLNMKPTQRIVIGDVHQFSKPRTSFDSRGSLCLPGRFGHDCSFTCSHCENGGRCNRDLTGCECSSGYKGIICEEKCPKGLWGVDCKQYCDCANDVDCDSVTGVCQCPLGRHGTRCELSGCQAGFWGPQCDRLCPNHCATNQCDREKGHCTCSPGTYGSHCHLSCPENTWGELCSLKCPAECLDSRRHTKGCDPQTGECICKPGYQPPDCILPCPPSYFGFNCKMTCFDCQNGCDPVTGRCLVECPPGKHGLTCEQDCPPGYWGKQCSRHCRCGYDEKGNIRTCDPTSGTCSCKAGYRGKNCDEPCEIGTYGPNCRLKCQCGISNIGCDPVTGLCQCPNGIVGHKCSMQNDIYSPDDEPSCPPGRWGKSCTEICDCENSVECHKNTGLCICFPGFIGNKCDQKCEKGKYGLNCTETCACVHGTCDHRSGACECEPGWRNMLCNKPCAPGFYGADCQHRCLCTNGAECDPVTGDCECNEGWYGPACDQPCSDGTYGKNCVKKCNCADVPGVSCDKVTGRCICPPGRTGNECSELCPSGFWGEGCSRTCACLRGATCDPITGKCRCSSGWYGEACELPCQSGHWGESCSVPCQCSANTRDPEGGECDRFTGECRCPQGFTGPRCQDKCPPGRYGSDCKLSCPCQKPGSRCDPVTGACECPPGWFGETCERPCLLGFYGTNCKQRCSCPSGQPCHHETGLCSCPAGKYGPQCEDTCPEGRWGEDCQHICDCHLKNNNMLCDPIHGVCYCRPGWLGPNCISRCPAGYFGINCQHECKCKNNGVCHPDNGTCICQAGYYGERCQLNCPPGFYGLQCKQKCGCIHGEACNEITGECYCSAGYHGKKCEQTCLPGTYGPQCSLICPVCHTRIADSNTLDSLLLSETSSIPDNTFLSSQYHSEVMKNTKVAILRRLNQNQNNPTCHPQTGQCPCPPGSEGKDCSTPCPKDRFGPDCAQVCTCQNGATCSSITGTCNCRPGFYGPLCQHTCPPGRWGVGCASVCDCYNSQPSGCDPKTGRCRCKPGYTGERCEEVCPRGYFGEMCAQACQHCEECHFETGQCLCALGHHGETCGSICPRGQYGVSCSKLCSCQNNAICSANIGNCNCLPGFIGPDCSINSEMNHMNEQSTFKYEN
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.6Very low36.6Very low232 Ų232154.7 Ų154.7100%1.14383%0.83SS**  0141.30-66.4-176.5-80.500107.3
2K43.3Very low36Very low198 Ų198150.3 Ų150.386%0.86182%0.82SS**  cis-119.5113.9-12.6-59.1173.6-178.41750105.3
3K32.7Very low35.7Very low197 Ų197150.8 Ų150.886%0.85782%0.82SS**  57.868.776.7-75.1-161.1172.2-171.10114.3
4L44.9Very low35.4Very low166 Ų166150.5 Ų150.587%0.86982%0.816SS**  trans-172.7117.1145.5-120.765.6000103.9
5A35.6Very low35.4Very low82 Ų82151.5 Ų151.568%0.67882%0.819SS**  cis69.8128.118.600000114.2
6M37.7Very low35.4Very low188 Ų188148.9 Ų148.993%0.92681%0.811SS**  trans68.9132.8-163.9-49.5-173.5-167.400113
7V38.2Very low35.5Very low116 Ų116149.6 Ų149.670%0.70381%0.812SS**  cis-150.6139.4-1111.70000111
8I31.8Very low35.7Very low148 Ų148146.9 Ų146.976%0.75980%0.801SS**  trans31.7108.7151.8-52.6161.8000116.9
9A33.7Very low35.7Very low87 Ų87149.1 Ų149.172%0.71981%0.805SS**  cis89.174.148.200000117.1
10T32.4Very low35.8Very low133 Ų133145.2 Ų145.282%0.81680%0.801SS**  trans-161.4101.515035.10000106.9
11I34.6Very low35.7Very low155 Ų155145.5 Ų145.580%0.79580%0.801SS**  89.7121.475.7-73.2168.1000113.5
12S29.8Very low35.3Very low102 Ų102141.7 Ų141.771%0.71378%0.78SS**  trans79.6105.5164-63.40000122.4
13L31.6Very low34.7Very low157 Ų157139.7 Ų139.782%0.82277%0.774SS**  trans60.1146.8144-81.159.9000121.1
14L32.3Very low34.5Very low146 Ų146137.2 Ų137.276%0.76477%0.765SS**  cis-178.4128.9-37.7-125.1161.8000109.2
15L34.8Very low33.9Very low165 Ų165135.9 Ų135.986%0.86475%0.754SS**  trans170.2153.7144.1-98.7163.7000113.6
16T35.8Very low33.7Very low111 Ų111138.7 Ų138.768%0.68175%0.753SS**  trans-163.9134.1-174.947.80000113
17L37Very low33.4Very low160 Ų160136.3 Ų136.384%0.83874%0.74SS**  trans63.7164.1146.2-56.3173.8000117.8
18T38.7Very low33.1Very low101 Ų101136.9 Ų136.962%0.6274%0.735SS**  cis-163.6146.9-15.221.40000111.8
19H35.5Very low33.1Very low188 Ų188137.5 Ų137.587%0.8773%0.732SS**  trans37.2135140.6-65.352.9000122.4
20G37.5Very low33.1Very low71 Ų71139.3 Ų139.373%0.73273%0.73SS**  122.1117.3122.900000122.4
21I33.8Very low33.2Very low153 Ų153140.1 Ų140.179%0.78572%0.724SS**  65.1119.6123.1-65.1172.3000122.5
22Q30.2Very low33.2Very low151 Ų151138 Ų13871%0.70671%0.714SS**  trans51.4125.6143.7-68.3179.2-76.100125.5
23Q29.2Very low33.4Very low157 Ų157139.2 Ų139.273%0.73471%0.709SS**  67.9141.1126.7-67.4-176.7-22.100124.4
24H29.9Very low33.6Very low145 Ų145139.8 Ų139.867%0.67171%0.705SS**  trans85.5119.7141.5-102.2-119.9000123
25Q31Very low33.8Very low137 Ų137141 Ų14164%0.6471%0.71SS**  trans72.4113.3136.3-83.1175.7-3000122.8
26Q32Very low33.8Very low141 Ų141139 Ų13966%0.65970%0.7SS**  81.8126.7119.5-78.6177.4-1500122.9
27Q31.8Very low33.9Very low139 Ų139139.4 Ų139.465%0.6569%0.694SS**  trans83.8109.4133.8-70.3-177.938.400122
28Q31Very low33.8Very low128 Ų128139.3 Ų139.360%0.59869%0.687SS**  73.5123122.3-66.2-170.348.500121.9
29K32.8Very low33.7Very low161 Ų161140.5 Ų140.570%0.769%0.689SS**  trans76.6124.6131.2-72.6173.4-178156.50120.6
30N33.4Very low33.6Very low125 Ų125138.7 Ų138.767%0.66868%0.678SS**  91.4118.2126.2-77.5-0.7000121.9
31Q35Very low33.5Very low150 Ų150144.9 Ų144.970%0.70168%0.68SS**  103.6116.8120.2-79.8-179.63400121.9
32N34.5Very low33.6Very low109 Ų109142.7 Ų142.758%0.58367%0.67SS**  87.4101.3123.2-72.3-26000123
33Q34.8Very low33.7Very low129 Ų129141.5 Ų141.560%0.60367%0.668SS**  84.9128.4110.2-75.8-179.453.300123.3
34K34.1Very low33.9Very low169 Ų169140.4 Ų140.474%0.73567%0.667SS**  trans76.7129.7135.1-73.6169.5176.9155.70121.3
35I36.4Very low34Very low171 Ų171141.2 Ų141.288%0.87767%0.673SS**  174.4149.4118.5-89.1153.6000108.1
36D36.6Very low33.9Very low123 Ų123140.5 Ų140.566%0.65867%0.673SS**  cis-162.7166.2-43.2-163.3-6.3000109.1
37H36.9Very low33.8Very low120 Ų120141.8 Ų141.856%0.55668%0.677SS**  trans88.1112.7145.7-85.211.9000125
38K35Very low33.6Very low157 Ų157141 Ų14168%0.68368%0.682SS**  81146.2125.1-66.3176.6172.4157.40119
39L36.1Very low33.4Very low126 Ų126139.2 Ų139.266%0.6668%0.683SS**  cis-157.2127.94.7-15270.6000116.4
40K33.3Very low33.1Very low150 Ų150139.8 Ų139.865%0.65269%0.689SS**  trans51.1129.6139.2-70.2177.1-171.3168.80125.7
41R35.1Very low32.7Very low201 Ų201140.4 Ų140.476%0.75869%0.691SS**  77.2155.2124.9-70.1-174.1171.9173.2-4.7119.9
42N36.8Very low32.3Very low108 Ų108137.8 Ų137.858%0.57869%0.689SS**  cis-158.5158-1.9-124.510.5000113.1
43N32.8Very low31.9Very low125 Ų125141.9 Ų141.967%0.66870%0.696SS**  trans23.7144.4137.4-54.8-1.6000120.7
44L32.1Very low31.7Very low135 Ų135144.3 Ų144.371%0.70771%0.705SS**  -170.6137.672.7-115.797.6000114.3
45M33.3Very low31.3Very low161 Ų161142 Ų14279%0.79370%0.701SS**  trans64.2161.1136.3-71.7-154.2-167.500123.2
46N27.7Very low30.9Very low122 Ų122140 Ų14065%0.65269%0.688SS**  cis-174.3165.4-34.5-155-10.9000110.1
47K31.4Very low30.4Very low168 Ų168140.2 Ų140.273%0.7369%0.685SS**  trans64.8113.4164.6-62.8177.3179.2-179.70116.6
48T26.3Very low29.9Very low123 Ų123141.6 Ų141.676%0.75569%0.692SS**  59.6115.366.173.10000115.3
49S27.1Very low29.5Very low90 Ų90141.7 Ų141.763%0.62969%0.694SS**  148.3149.197.276.60000113.3
50Q25.7Very low29.1Very low174 Ų174139.6 Ų139.681%0.81369%0.69SS**  trans66.5153.1150.9-68.8176.230.500118.5
51L26.6Very low28.7Very low137 Ų137142.1 Ų142.172%0.71770%0.697SS**  cis-165.4158.2-32.2-156.294.6000107.2
52S26Very low28.4Very low95 Ų95140.4 Ų140.466%0.66470%0.697SS**  trans71.9161.7156.594.80000116
53R26.2Very low28Very low195 Ų195141 Ų14174%0.73670%0.704SS**  cis-169.3171.7-20.2-115.7177.4-167165.51.4107.5
54F29.4Very low27.9Very low180 Ų180144 Ų14479%0.78971%0.714SS**  trans68.9130169-59.8-71.8000116.1
55N27.2Very low28.4Very low120 Ų120142.7 Ų142.764%0.64271%0.714SS**  cis134.7143.1-11.7179.745.9000109.6
56H27.5Very low28.2Very low130 Ų130144.3 Ų144.360%0.60272%0.716SS**  trans74.7114.4158.5-90.323.7000120.4
57Q26.3Very low28.3Very low128 Ų128146.3 Ų146.360%0.59872%0.724SS**  86.7111.7117.5-74.3179.6-24.500121.5
58Q25.9Very low28.3Very low149 Ų149147.6 Ų147.670%0.69674%0.735SS**  86.7142.9114.7-76.5177.8-10.900122.5
59H27.2Very low28.4Very low158 Ų158148.2 Ų148.273%0.73173%0.733SS**  trans60.195.6145.8-78.8-71.8000121.2
60S26.4Very low28.7Very low83 Ų83150.7 Ų150.758%0.5875%0.745SS**  90.2158.1104.7-149.90000120.3
61Y26.9Very low28.8Very low202 Ų202149.1 Ų149.179%0.79274%0.742SS**  trans76.9101.4154.5-70.2-54.7000122.1
62H26.8Very low29Very low166 Ų166150.6 Ų150.677%0.76975%0.75SS**  96.6152.1110.8-136.5-62.2000120.6
63V29.7Very low29.1Very low119 Ų119152.9 Ų152.972%0.72175%0.754SS**  trans80.584.3163.8-164.10000118.9
64Q30.4Very low29.3Very low189 Ų189152.3 Ų152.388%0.88376%0.76SS**  29.6162.5109.1-82.1-160.8-16.200123.9
65P41.7Very low29.2Very low107 Ų107148.1 Ų148.170%0.69575%0.753SS**  trans-119.9-174-150.145.5-35.6000116.2
66K30.5Very low29.2Very low195 Ų195149.7 Ų149.785%0.84876%0.762SS**  trans-138.4128.6151.7-81.1170.6179.6169.70107.8
67M28.5Very low29.2Very low165 Ų165152.2 Ų152.281%0.81377%0.774SS**  68.4118.757.1-78.3-163.6161.500115.4
68M32.7Very low29.5Very low194 Ų194155.1 Ų155.196%0.95679%0.789SS**  trans-151.6132.6135.4-112.7176.4178.700110.6
69N27.9Very low29.6Very low136 Ų136157 Ų15773%0.72780%0.795SS**  trans-89.4154174.5-65.3-27.6000110.5
70V33.4Very low29.7Very low143 Ų143157 Ų15787%0.86780%0.801SS**  trans-139.1123.6137.4178.70000108.1
71N27.5Very low29.9Very low141 Ų141157.6 Ų157.675%0.75481%0.81SS**  trans-87.4158.1163.5-78.4-18.6000109.1
72L31.8Very low30.2Very low168 Ų168154.3 Ų154.388%0.8881%0.811SS**  -162.6156.9129.6-107.4164.4000111.1
73N26.5Very low30.4Very low143 Ų143155.2 Ų155.277%0.76581%0.813SS**  trans-101.2155.6177.2-56.4-38.3000109.8
74E31.1Very low30.4Very low183 Ų183156.6 Ų156.686%0.85582%0.817SS**  trans168.1119143.2-93.1156.9-165.200105.3
75S26.6Very low30.5Very low91 Ų91154.7 Ų154.764%0.63682%0.817SS**  cis96.7125.535.673.50000113.9
76D27.4Very low29.9Very low154 Ų154156.7 Ų156.782%0.82482%0.821SS**  trans79.2160.2155.8-68.6-56.5000122.3
77E27.7Very low29.8Very low183 Ų183153.9 Ų153.986%0.85582%0.815SS**  trans58.596.9165.4-69.5-179.4178.100120.9
78M32.2Very low29.9Very low188 Ų188153.4 Ų153.493%0.92682%0.815SS**  -155.9131.591.2-103.7-177.370.500112.6
79K29.5Very low29.9Very low189 Ų189152.7 Ų152.782%0.82281%0.813SS**  trans-123.6159.3173.4-82.9175.5175.9164.10110
80N28.6Very low30Very low158 Ų158151.9 Ų151.985%0.84581%0.813SS**  trans63.885154.8-60.8-12.6000119.1
81A31.2Very low29.7Very low95 Ų95147.9 Ų147.979%0.78580%0.801SS**  trans-152.4125.814400000108.2
82T33.3Very low29.8Very low133 Ų133149.6 Ų149.682%0.81681%0.809SS**  cis-146.7162.3-8.9-40.40000108.4
83K30.1Very low29.6Very low186 Ų186149.9 Ų149.981%0.80980%0.803SS**  trans-68.7169.2158.2-70.9171.2175.9175.10109.8
84D30.1Very low29.6Very low148 Ų148149.3 Ų149.379%0.79180%0.8SS**  trans117.452.9162.4-55.9-11.9000117.2
85V32.4Very low29.4Very low148 Ų148147 Ų14790%0.89779%0.794SS**  trans-137.569.3146.3-1660000110.1
86I29.3Very low29.5Very low149 Ų149148.9 Ų148.976%0.76480%0.797SS**SBendtrans-113.1130157.9-71.1176.8000105.9
87N28.2Very low29.6Very low136 Ų136147 Ų14773%0.72779%0.787SS**SBendtrans62.388.5-179.2-52.1-25.6000116
88L31Very low29.9Very low156 Ų156143.9 Ų143.982%0.81778%0.776SS**  trans-174.758.2143.6-105.2164.4000115.6
89I32.2Very low30.1Very low179 Ų179141 Ų14192%0.91876%0.764SS**SBendtrans-133.381.3133.7-58.2-173.3000106.9
90T29Very low30.5Very low118 Ų118138.8 Ų138.872%0.72476%0.762SS**  trans-135.7130171.322.50000106.8
91G27.7Very low30.8Very low59 Ų59137.8 Ų137.861%0.60876%0.756SS**  trans116.950.9166.900000118.6
92L30.6Very low31Very low178 Ų178140.7 Ų140.793%0.93275%0.753SS**  trans-121.8112.6131.9-64.9175.7000104.9
93K27.1Very low31Very low174 Ų174139 Ų13976%0.75774%0.743SS**  cis62.373.311.9-99-160.8175.5-172.70114.5
94N26.3Very low31.1Very low131 Ų131134 Ų13470%0.70173%0.732SS**  164.7146.2100.1-85-0.3000111.3
95N26.8Very low31.1Very low134 Ų134133.7 Ų133.772%0.71773%0.729SS**  trans74.1113.6151.9-66.819.7000120
96N28.8Very low31.2Very low130 Ų130133.7 Ų133.770%0.69572%0.723SS**  94.8109.9129.1-68.733.4000119.7
97N30.4Very low31.2Very low115 Ų115132.9 Ų132.962%0.61572%0.72SS**  95.9119120.4-79.464000119.8
98D33.9Very low31.5Very low118 Ų118134.3 Ų134.363%0.63172%0.722SS**  trans75.9128.6132.1-46.4-4.8000118.5
99D36.4Very low31.6Very low126 Ų126135 Ų13567%0.67472%0.721SS**  cis-158.5158-8.1-92.7-29.7000109.9
100D36.7Very low31.7Very low144 Ų144134.2 Ų134.277%0.7771%0.714SS**  trans43.7157.6143.5-55.9-7.8000123.3
101D35.4Very low32Very low137 Ų137135.5 Ų135.573%0.73372%0.716SS**  cis-169.2172.8-40.5-141.79.5000105.9
102E35.4Very low32.2Very low155 Ų155139.5 Ų139.572%0.72472%0.72SS**  cis-120.4-178.30.5-93.9-140.365.600109.1
103T32.5Very low32.3Very low97 Ų97140.1 Ų140.160%0.59572%0.719SS**  cis78.6163.518.253.90000119.4
104S32.1Very low32.5Very low82 Ų82139.2 Ų139.257%0.57372%0.721SS**  -165.5172.7-66.658.10000113.5
105L31Very low32.9Very low142 Ų142139.3 Ų139.374%0.74372%0.721SS**  trans68.6169.8165.6-54.1164.2000114.3
106I34.7Very low34Very low148 Ų148137.6 Ų137.676%0.75971%0.711SS**  cis-140.2124.115.5-63.2168.1000105.3
107D29.7Very low35.4Very low131 Ų131139 Ų13970%0.70171%0.713SS**  76148.875.6-79.4-44.9000117.1
108E33.6Very low37.2Very low167 Ų167135.2 Ų135.278%0.7869%0.693SS**  trans84.6122.9164.1-71167.9-171.900123.7
109E33.9Very low39.2Very low169 Ų169132.8 Ų132.879%0.7968%0.677SS**  trans60.6151.8136.2-65.5-176.9178.300123.3
110E34.7Very low40.8Very low164 Ų164133.3 Ų133.377%0.76668%0.675SS**  cis-155.5-148.1-34.4-147.6-177.6-157.200109.1
111D35.3Very low42.7Very low144 Ų144135 Ų13577%0.7767%0.672SS**  trans62.7108.6-178-70.9-26.7000117
112M31.3Very low44.7Very low143 Ų143129.2 Ų129.270%0.70464%0.641SS**  cis105.4101.122.1-165.6-161.5-36.600113.8
113E31.5Very low46.6Very low191 Ų191125 Ų12589%0.89363%0.627SS**  trans-144.7141.4156.1-140179.3-152.200110.6
114L31.2Very low48.5Very low156 Ų156123.5 Ų123.582%0.81762%0.616SS**  trans-82135.9-163.6-82.669.3000113.8
115I36.5Very low50.8Low133 Ų133120.7 Ų120.768%0.68260%0.595SS**  trans-128.893.6173.6-62.9175.5000109.5R195I115-R195 VanDerWaalsContact CG2-NH2 3.27Å
116D48.7Very low53Low98 Ų98116.2 Ų116.252%0.52458%0.575SS.*PPolyproline II helixtrans-59.9130.7-169.3-172.739.7000114.9K119 M122 R195D116-K119 IonicContact OD1-NZ 2.7Å; D116-K119 PolarHBondContact OD1-NZ 3.01Å; D116-K119 IonicContact OD2-NZ 2.69Å; D116-K119 PolarHBondContact OD2-NZ 2.9Å; D116-M122 WeakPolarHBondContact OD2-CE 3.49Å; D116-R195 PolarHBondContact O-NH2 3.25Å
117E59.2Low54.7Low158 Ų158114.4 Ų114.474%0.73856%0.562SS**PPolyproline II helixtrans-73.2144-175.3-65.6-164.5126.800113.6K119 M122E117-K119 WeakPolarHBondContact O-CE 3.46Å; E117-K119 PolarHBondContact O-N 3.45Å; E117-M122 WeakPolarHBondContact O-CE 3.48Å
118L68.5Low55.7Low37 Ų37111.7 Ų111.719%0.19455%0.545CS..PPolyproline II helixtrans-68.5120.3174.5-70.6176.2000110.7M122 V125 L187L118-M122 HydrophobicContact CD2-SD 4.11Å; L118-V125 HydrophobicContact CB-CG1 4.45Å; L118-V125 HydrophobicContact CB-CG2 4.45Å; L118-V125 HydrophobicContact CD2-CG2 4.01Å; L118-L187 WeakPolarHBondContact O-CD1 3.47Å
119K75Confident56.5Low66 Ų66109.1 Ų109.129%0.28754%0.541SS..  trans-107.6149.8-177.7-63.7157.6-159.21300110.5D116 E117 Y121 M122D116-K119 IonicContact OD1-NZ 2.7Å; D116-K119 PolarHBondContact OD1-NZ 3.01Å; D116-K119 IonicContact OD2-NZ 2.69Å; D116-K119 PolarHBondContact OD2-NZ 2.9Å; E117-K119 WeakPolarHBondContact O-CE 3.46Å; E117-K119 PolarHBondContact O-N 3.45Å; K119-Y121 HydrophobicContact CB-CD1 3.85Å; K119-Y121 HydrophobicContact CB-CE1 3.5Å; K119-Y121 HydrophobicContact CD-CE1 3.77Å; K119-Y121 WeakPolarHBondContact CD-OH 3.35Å; K119-Y121 HydrophobicContact CG-CE1 4.14Å; K119-Y121 PolarHBondContact O-N 3.07Å; K119-M122 HydrophobicContact CB-CE 4.31Å; K119-M122 HydrophobicContact CB-CG 4.21Å; K119-M122 HydrophobicContact CB-SD 4.41Å; K119-M122 HydrophobicContact CD-CE 4.04Å; K119-M122 HydrophobicContact CG-CE 4.32Å; K119-M122 PolarHBondContact N-SD 3.3Å; K119-M122 VanDerWaalsContact N-SD 3.43Å; K119-M122 VanDerWaalsContact O-CB 3.32Å; K119-M122 WeakPolarHBondContact O-CB 3.1Å; K119-M122 PolarHBondContact O-N 3.39Å
120E70.1Confident56.8Low137 Ų137103.2 Ų103.264%0.6451%0.514SS*.THydrogen-bonded Turntrans-58.8-22.9-173.6-174.5173.1-178.800114.4F127 L187E120-F127 VanDerWaalsContact CD-CZ 3.46Å; E120-F127 HydrophobicContact CG-CE2 4.06Å; E120-F127 HydrophobicContact CG-CZ 4.01Å; E120-F127 VanDerWaalsContact OE1-CE2 3.31Å; E120-F127 WeakPolarHBondContact OE1-CE2 3.21Å; E120-F127 WeakPolarHBondContact OE1-CZ 3.03Å; E120-L187 HydrophobicContact CB-CD2 4.39Å
121Y76.9Confident57.3Low179 Ų17998.7 Ų98.770%0.70250%0.499SS*.THydrogen-bonded Turntrans-86.3-7.6176.966.1-100.1000114.5K119K119-Y121 HydrophobicContact CB-CD1 3.85Å; K119-Y121 HydrophobicContact CB-CE1 3.5Å; K119-Y121 HydrophobicContact CD-CE1 3.77Å; K119-Y121 WeakPolarHBondContact CD-OH 3.35Å; K119-Y121 HydrophobicContact CG-CE1 4.14Å; K119-Y121 PolarHBondContact O-N 3.07Å
122M77.5Confident57.4Low16 Ų1697.9 Ų97.98%0.07949%0.489CS..SBendtrans-76.5145.7-177.6-68.6-178.217200111.6D116 E117 L118 K119 N124 V125D116-M122 WeakPolarHBondContact OD2-CE 3.49Å; E117-M122 WeakPolarHBondContact O-CE 3.48Å; L118-M122 HydrophobicContact CD2-SD 4.11Å; K119-M122 HydrophobicContact CB-CE 4.31Å; K119-M122 HydrophobicContact CB-CG 4.21Å; K119-M122 HydrophobicContact CB-SD 4.41Å; K119-M122 HydrophobicContact CD-CE 4.04Å; K119-M122 HydrophobicContact CG-CE 4.32Å; K119-M122 PolarHBondContact N-SD 3.3Å; K119-M122 VanDerWaalsContact N-SD 3.43Å; K119-M122 VanDerWaalsContact O-CB 3.32Å; K119-M122 WeakPolarHBondContact O-CB 3.1Å; K119-M122 PolarHBondContact O-N 3.39Å; M122-N124 PolarHBondContact O-N 2.04Å; M122-V125 HydrophobicContact CB-CG2 3.81Å; M122-V125 PolarHBondContact O-N 3.21Å
123P73.9Confident57.8Low67 Ų6794.8 Ų94.844%0.43548%0.48SS..THydrogen-bonded Turntrans-63.2137-175.725.9-34.7000112.3V125 E200 C202P123-V125 VanDerWaalsContact C-N 3.27Å; P123-V125 PolarHBondContact O-N 3.31Å; P123-E200 WeakPolarHBondContact CG-O 3.44Å; P123-C202 PolarHBondContact O-N 3.19Å
124N73.7Confident58.4Low66 Ų6694.4 Ų94.435%0.35347%0.47SS..THydrogen-bonded Turntrans58.531.2177.6-39.6-60.9000114.9M122 C190 F193 C202M122-N124 PolarHBondContact O-N 2.04Å; N124-C190 PolarHBondContact O-N 2.81Å; N124-C190 PolarHBondContact O-SG 3Å; N124-C190 VanDerWaalsContact O-SG 3.35Å; N124-F193 HydrophobicContact CB-CB 4.1Å; N124-F193 HydrophobicContact CB-CD1 3.33Å; N124-F193 HydrophobicContact CB-CD2 4.02Å; N124-F193 HydrophobicContact CB-CE1 3.66Å; N124-F193 HydrophobicContact CB-CE2 4.3Å; N124-F193 HydrophobicContact CB-CG 3.55Å; N124-F193 HydrophobicContact CB-CZ 4.13Å; N124-F193 WeakPolarHBondContact ND2-CD1 3.29Å; N124-F193 VanDerWaalsContact ND2-CE1 3.33Å; N124-F193 WeakPolarHBondContact ND2-CE1 3.25Å; N124-F193 WeakPolarHBondContact OD1-CE1 3.39Å; N124-C202 HydrophobicContact CB-CB 4.24Å; N124-C202 WeakPolarHBondContact CB-O 3.05Å; N124-C202 PolarHBondContact ND2-O 2.96Å
125V79.8Confident59.1Low22 Ų2293.6 Ų93.613%0.13346%0.462CS..EExtended strand (participates in β ladder)trans-93.8131.3167-179.10000109.6L118 M122 P123 L187 R188L118-V125 HydrophobicContact CB-CG1 4.45Å; L118-V125 HydrophobicContact CB-CG2 4.45Å; L118-V125 HydrophobicContact CD2-CG2 4.01Å; M122-V125 HydrophobicContact CB-CG2 3.81Å; M122-V125 PolarHBondContact O-N 3.21Å; P123-V125 VanDerWaalsContact C-N 3.27Å; P123-V125 PolarHBondContact O-N 3.31Å; V125-L187 HydrophobicContact CG1-CB 4.09Å; V125-L187 HydrophobicContact CG1-CD2 3.84Å; V125-R188 CarbonylContact C-O 3.35Å; V125-R188 WeakPolarHBondContact CA-O 3.3Å; V125-R188 WeakPolarHBondContact CG1-O 3.33Å
126C76.6Confident59.8Low48 Ų4893 Ų9332%0.32445%0.452SS..EExtended strand (participates in β ladder)trans-121.7153.4-179.6-81.80000111.3E128 R188 C190C126-E128 PolarHBondContact O-N 2.92Å; C126-R188 PolarHBondContact N-O 3.38Å; C126-R188 PolarHBondContact O-N 3.41Å; C126-C190 HydrophobicContact CB-CB 3.93Å; C126-C190 WeakPolarHBondContact CB-SG 3.48Å; C126-C190 PolarHBondContact N-SG 2.9Å; C126-C190 VanDerWaalsContact N-SG 3.44Å; C126-C190 VanDerWaalsContact SG-CA 3.57Å; C126-C190 WeakPolarHBondContact SG-CB 3Å; C126-C190 CovalentContact SG-SG 2.04Å; C126-C190 PolarHBondContact SG-SG 3.04Å
127F71.6Confident59.8Low110 Ų11097.3 Ų97.348%0.48246%0.461SS..EExtended strand (participates in β ladder)trans-79108.1165.9-73.3-74.1000110.4E120 L187E120-F127 VanDerWaalsContact CD-CZ 3.46Å; E120-F127 HydrophobicContact CG-CE2 4.06Å; E120-F127 HydrophobicContact CG-CZ 4.01Å; E120-F127 VanDerWaalsContact OE1-CE2 3.31Å; E120-F127 WeakPolarHBondContact OE1-CE2 3.21Å; E120-F127 WeakPolarHBondContact OE1-CZ 3.03Å; F127-L187 HydrophobicContact CD1-CD2 3.87Å; F127-L187 HydrophobicContact CD1-CG 4.44Å; F127-L187 HydrophobicContact CE1-CD2 3.61Å; F127-L187 HydrophobicContact CE1-CG 4.13Å; F127-L187 HydrophobicContact CE2-CD2 4.45Å; F127-L187 HydrophobicContact CG-CD2 4.41Å; F127-L187 HydrophobicContact CZ-CD2 3.93Å
128E49.4Very low59.9Low75 Ų7594.5 Ų94.535%0.3545%0.448SS..EExtended strand (participates in β ladder)trans-90.6114.4167.5-158.8176.1-113.400108.9C126 N130 Q186 R188C126-E128 PolarHBondContact O-N 2.92Å; E128-N130 HydrophobicContact CG-CB 4.17Å; E128-N130 PolarHBondContact O-N 3.24Å; E128-N130 PolarHBondContact OE2-ND2 2.93Å; E128-Q186 PolarHBondContact N-O 2.86Å; E128-Q186 VanDerWaalsContact N-O 3.11Å; E128-Q186 PolarHBondContact O-N 3.17Å; E128-R188 WeakPolarHBondContact OE2-CD 3.07Å; E128-R188 IonicContact OE2-CZ 2.73Å; E128-R188 IonicContact OE2-NE 2.73Å; E128-R188 PolarHBondContact OE2-NE 2.04Å; E128-R188 IonicContact OE2-NH1 3.18Å; E128-R188 PolarHBondContact OE2-NH1 2.78Å
129T50.5Low60.1Low112 Ų11299.7 Ų99.769%0.68747%0.465SS*.EExtended strand (participates in β ladder)trans-76.279.5164.433.80000107.6P131T129-P131 WeakPolarHBondContact O-CD 3.34Å
130N41.2Very low59.3Low45 Ų4599.1 Ų99.124%0.24146%0.464CS..  trans-88.4103.6-176.7-163-55000109.8E128 K132 R188E128-N130 HydrophobicContact CG-CB 4.17Å; E128-N130 PolarHBondContact O-N 3.24Å; E128-N130 PolarHBondContact OE2-ND2 2.93Å; N130-K132 VanDerWaalsContact C-N 3.29Å; N130-K132 PolarHBondContact O-N 3Å; N130-R188 PolarHBondContact ND2-NH1 3.5Å
131P44.7Very low59.1Low69 Ų6997.3 Ų97.345%0.44846%0.456SS..  trans-81.674.7-169.935.8-35.7000110.3T129 P133 T181T129-P131 WeakPolarHBondContact O-CD 3.34Å; P131-P133 VanDerWaalsContact O-CD 3.31Å; P131-P133 WeakPolarHBondContact O-CD 3.5Å; P131-T181 HydrophobicContact CB-CG2 3.72Å; P131-T181 HydrophobicContact CG-CG2 4.5Å
132K37.8Very low57.9Low127 Ų12792.5 Ų92.555%0.55244%0.442SS*.  trans-50.6115.5-177.4-81.4-165.7175-174.40110.6N130 R134N130-K132 VanDerWaalsContact C-N 3.29Å; N130-K132 PolarHBondContact O-N 3Å; K132-R134 PolarHBondContact O-N 3.03Å
133P40.3Very low57.3Low79 Ų7995.7 Ų95.751%0.51346%0.463SS..EExtended strand (participates in β ladder)trans-78.786.1-17030.9-35.3000110.1P131 Q135 F179P131-P133 VanDerWaalsContact O-CD 3.31Å; P131-P133 WeakPolarHBondContact O-CD 3.5Å; P133-Q135 PolarHBondContact O-N 3.01Å; P133-F179 HydrophobicContact CB-CB 3.69Å; P133-F179 HydrophobicContact CB-CD1 3.62Å; P133-F179 HydrophobicContact CB-CE1 4.41Å; P133-F179 HydrophobicContact CB-CG 3.8Å; P133-F179 WeakPolarHBondContact O-CD1 3.26Å
134R43.7Very low56.4Low182 Ų18297.4 Ų97.469%0.68746%0.462SS*.EExtended strand (participates in β ladder)trans-64.8121.9173-87-169170.7-166.7-2109.1K132 Y136 K180K132-R134 PolarHBondContact O-N 3.03Å; R134-Y136 HydrophobicContact CB-CD2 4.36Å; R134-Y136 HydrophobicContact CB-CE2 3.93Å; R134-Y136 WeakPolarHBondContact O-CD2 3.36Å; R134-Y136 PolarHBondContact O-N 2.78Å; R134-K180 PolarHBondContact O-N 3.47Å
135Q46Very low56.2Low139 Ų13998.5 Ų98.565%0.6547%0.471SS*.EExtended strand (participates in β ladder)trans-63.2116.5170.7-72-169.7-7.600109.8P133 T177 F179P133-Q135 PolarHBondContact O-N 3.01Å; Q135-T177 HydrophobicContact CB-CG2 4.02Å; Q135-T177 HydrophobicContact CG-CG2 3.61Å; Q135-F179 HydrophobicContact CG-CD1 4.14Å; Q135-F179 HydrophobicContact CG-CE1 3.62Å
136Y51.6Low55Low121 Ų121102.8 Ų102.848%0.47549%0.488SS..EExtended strand (participates in β ladder)trans-106.5127160.6-73.8-96.4000108.1R134 Q138 V178 K180R134-Y136 HydrophobicContact CB-CD2 4.36Å; R134-Y136 HydrophobicContact CB-CE2 3.93Å; R134-Y136 WeakPolarHBondContact O-CD2 3.36Å; R134-Y136 PolarHBondContact O-N 2.78Å; Y136-Q138 VanDerWaalsContact C-N 3.34Å; Y136-Q138 PolarHBondContact O-N 3.37Å; Y136-V178 PolarHBondContact N-O 3.06Å; Y136-V178 PolarHBondContact O-N 3.35Å; Y136-K180 HydrophobicContact CD2-CB 3.72Å; Y136-K180 HydrophobicContact CD2-CD 4.45Å; Y136-K180 HydrophobicContact CD2-CG 4.22Å; Y136-K180 HydrophobicContact CE2-CB 3.79Å
137R48.2Very low54.6Low188 Ų188105.7 Ų105.771%0.70950%0.5SS*.EExtended strand (participates in β ladder)trans-75.287.3168.7-75.7-172.8174.8-176.5-0.8108.8R139 Y175R137-R139 PolarHBondContact O-N 2.99Å; R137-Y175 HydrophobicContact CB-CD1 3.95Å; R137-Y175 HydrophobicContact CB-CG 4.49Å
138Q60.8Low54.4Low99 Ų99101.7 Ų101.746%0.46349%0.485SS..EExtended strand (participates in β ladder)trans-70.3118.7172.4-179.7172.91.400108.9Y136 I140 K176 V178Y136-Q138 VanDerWaalsContact C-N 3.34Å; Y136-Q138 PolarHBondContact O-N 3.37Å; Q138-I140 HydrophobicContact CG-CG1 4.03Å; Q138-I140 PolarHBondContact O-N 3.36Å; Q138-I140 VanDerWaalsContact O-N 3.1Å; Q138-K176 PolarHBondContact N-O 3.33Å; Q138-K176 PolarHBondContact O-N 3.1Å; Q138-V178 HydrophobicContact CB-CG1 4.28Å; Q138-V178 HydrophobicContact CB-CG2 3.58Å
139R72.3Confident55.7Low146 Ų146106.3 Ų106.355%0.55150%0.499SS*.EExtended strand (participates in β ladder)trans-69.3101.1172.8-169.6-175-174.9-111.34.8108.7R137 V173R137-R139 PolarHBondContact O-N 2.99Å; R139-V173 HydrophobicContact CG-CG1 3.65Å
140I59.4Low56.4Low54 Ų54102.2 Ų102.228%0.27747%0.473SS..EExtended strand (participates in β ladder)trans-99.3131.4172.2-59.6-167.7000108.1Q138 I142 H174 K176Q138-I140 HydrophobicContact CG-CG1 4.03Å; Q138-I140 PolarHBondContact O-N 3.36Å; Q138-I140 VanDerWaalsContact O-N 3.1Å; I140-I142 HydrophobicContact CG2-CG1 3.96Å; I140-H174 PolarHBondContact N-O 3.28Å; I140-H174 PolarHBondContact O-N 3.3Å; I140-H174 VanDerWaalsContact O-O 3.12Å; I140-K176 HydrophobicContact CD1-CB 3.51Å; I140-K176 HydrophobicContact CD1-CD 3.66Å; I140-K176 HydrophobicContact CD1-CG 4.18Å; I140-K176 HydrophobicContact CG1-CB 3.97Å
141Q64.5Low57.9Low100 Ų100107.4 Ų107.447%0.46749%0.49SS..EExtended strand (participates in β ladder)trans-96.498172-75.2-177.9-94.800107.9P143 Y171Q141-P143 WeakPolarHBondContact O-CD 3.39Å; Q141-Y171 HydrophobicContact CB-CD1 3.89Å; Q141-Y171 HydrophobicContact CB-CG 4.26Å
142I51.8Low59Low78 Ų78106.1 Ų106.140%0.448%0.478SS..EExtended strand (participates in β ladder)trans-81.1118.3176.3-57.1179.6000107.6I140 Y144 Y171 A172 H174I140-I142 HydrophobicContact CG2-CG1 3.96Å; I142-Y144 PolarHBondContact O-N 3.18Å; I142-Y171 WeakPolarHBondContact O-CA 3.29Å; I142-A172 HydrophobicContact CB-CB 4.4Å; I142-A172 PolarHBondContact N-O 2.72Å; I142-A172 PolarHBondContact O-N 2.82Å; I142-H174 HydrophobicContact CD1-CB 3.68Å; I142-H174 HydrophobicContact CG1-CB 4.11Å
143P66.3Low60.7Low82 Ų82103.2 Ų103.253%0.53247%0.472SS..EExtended strand (participates in β ladder)trans-71.2127.3173.829.3-32.2000109.7Q141 T169 H170 Y171Q141-P143 WeakPolarHBondContact O-CD 3.39Å; P143-T169 HydrophobicContact CB-CG2 3.32Å; P143-H170 WeakPolarHBondContact CA-O 3.32Å; P143-Y171 HydrophobicContact CB-CD1 4.36Å; P143-Y171 HydrophobicContact CB-CE1 4.1Å
144Y53.6Low62Low103 Ų103104.1 Ų104.140%0.40447%0.472SS..EExtended strand (participates in β ladder)trans-132131.6168.672.9-79.4000109.7I142 K146 H170 A172I142-Y144 PolarHBondContact O-N 3.18Å; Y144-K146 HydrophobicContact CD2-CB 4.26Å; Y144-K146 HydrophobicContact CE2-CB 3.95Å; Y144-K146 HydrophobicContact CE2-CD 4.13Å; Y144-K146 PolarHBondContact O-N 2.84Å; Y144-H170 HydrophobicContact CD1-CB 3.9Å; Y144-H170 WeakPolarHBondContact CD1-O 3.13Å; Y144-H170 HydrophobicContact CD2-CB 4.48Å; Y144-H170 HydrophobicContact CE1-CB 3.33Å; Y144-H170 HydrophobicContact CE2-CB 4.02Å; Y144-H170 HydrophobicContact CG-CB 4.44Å; Y144-H170 VanDerWaalsContact CZ-CB 3.4Å; Y144-H170 PolarHBondContact N-O 3.44Å; Y144-H170 PolarHBondContact O-N 2.92Å; Y144-A172 HydrophobicContact CD1-CB 3.79Å; Y144-A172 HydrophobicContact CE1-CB 3.75Å
145T69.7Low62.4Low89 Ų8996 Ų9655%0.54644%0.443SS..EExtended strand (participates in β ladder)trans-74122.1173.930.80000109.4E167T145-E167 HydrophobicContact CG2-CB 4.32Å
146K54.6Low62.9Low112 Ų11295 Ų9549%0.48744%0.439SS..EExtended strand (participates in β ladder)trans-122.6128.6171-172.5176.2-173.4167.80108.7Y144 T148 Q168Y144-K146 HydrophobicContact CD2-CB 4.26Å; Y144-K146 HydrophobicContact CE2-CB 3.95Å; Y144-K146 HydrophobicContact CE2-CD 4.13Å; Y144-K146 PolarHBondContact O-N 2.84Å; K146-T148 VanDerWaalsContact C-N 3.34Å; K146-T148 PolarHBondContact O-N 2.92Å; K146-T148 PolarHBondContact O-OG1 3.49Å; K146-Q168 PolarHBondContact N-O 2.95Å; K146-Q168 PolarHBondContact O-N 3.49Å; K146-Q168 VanDerWaalsContact O-N 3.11Å
147L69.5Low62.7Low109 Ų10990.3 Ų90.357%0.57142%0.423SS*.EExtended strand (participates in β ladder)trans-60.499.2166.9-71.2173.9000108.4Y165 E167L147-Y165 HydrophobicContact CB-CD1 4.23Å; L147-E167 HydrophobicContact CD2-CG 3.87Å
148T67.3Low63.4Low27 Ų2790 Ų9017%0.16643%0.43CS..EExtended strand (participates in β ladder)trans-106.1138.1-171-56.60000108.9K146 V150 Y165 K166 H170K146-T148 VanDerWaalsContact C-N 3.34Å; K146-T148 PolarHBondContact O-N 2.92Å; K146-T148 PolarHBondContact O-OG1 3.49Å; T148-V150 VanDerWaalsContact C-N 3.28Å; T148-V150 HydrophobicContact CG2-CG2 4.46Å; T148-V150 PolarHBondContact O-N 2.03Å; T148-Y165 WeakPolarHBondContact O-CA 3.38Å; T148-K166 PolarHBondContact N-O 3.04Å; T148-K166 PolarHBondContact O-N 3.38Å; T148-H170 PolarHBondContact OG1-CD2 2.83Å; T148-H170 PolarHBondContact OG1-NE2 2.9Å
149R75Confident63.6Low171 Ų17188.1 Ų88.165%0.64544%0.437SS*.EExtended strand (participates in β ladder)trans-71.784.9175.9-75.6-167.8-90.3176.8-7.5109.2I163 Y165R149-I163 HydrophobicContact CB-CG2 3.43Å; R149-I163 VanDerWaalsContact CB-CG2 3.43Å; R149-I163 HydrophobicContact CG-CG2 3.47Å; R149-I163 VanDerWaalsContact CG-CG2 3.47Å; R149-Y165 HydrophobicContact CG-CD1 4.33Å; R149-Y165 HydrophobicContact CG-CE1 3.84Å
150V66.5Low62.6Low26 Ų2684.3 Ų84.316%0.15843%0.427CS..EExtended strand (participates in β ladder)trans-89.1121.1177.3178.50000108.2T148 E152 I163 K164 K166 Q168T148-V150 VanDerWaalsContact C-N 3.28Å; T148-V150 HydrophobicContact CG2-CG2 4.46Å; T148-V150 PolarHBondContact O-N 2.03Å; V150-E152 PolarHBondContact O-N 2.97Å; V150-E152 VanDerWaalsContact O-N 3.07Å; V150-I163 WeakPolarHBondContact O-CA 3.35Å; V150-K164 PolarHBondContact N-O 3.48Å; V150-K164 PolarHBondContact O-N 3.13Å; V150-K166 HydrophobicContact CB-CB 4.08Å; V150-K166 HydrophobicContact CG2-CB 3.72Å; V150-Q168 HydrophobicContact CG2-CG 3.86Å
151W72.9Confident62.9Low154 Ų15489.3 Ų89.358%0.58344%0.443SS*.EExtended strand (participates in β ladder)trans-68.798.3164.4-71.7107.8000108.6W161 C162 I163W151-W161 HydrophobicContact CB-CE3 3.81Å; W151-W161 HydrophobicContact CB-CZ3 4.3Å; W151-W161 HydrophobicContact CE3-CB 3.78Å; W151-W161 HydrophobicContact CZ3-CB 4.27Å; W151-C162 WeakPolarHBondContact CA-O 3.25Å; W151-I163 HydrophobicContact CD2-CD1 4.46Å; W151-I163 HydrophobicContact CD2-CG1 3.74Å; W151-I163 HydrophobicContact CE3-CG1 3.72Å; W151-I163 HydrophobicContact CG-CG1 4.48Å; W151-I163 HydrophobicContact CH2-CD1 3.96Å; W151-I163 HydrophobicContact CH2-CG1 3.92Å; W151-I163 HydrophobicContact CZ2-CD1 3.75Å; W151-I163 HydrophobicContact CZ2-CG1 3.9Å; W151-I163 HydrophobicContact CZ3-CD1 4.38Å; W151-I163 HydrophobicContact CZ3-CG1 3.83Å
152E67.7Low62.8Low43 Ų4386.7 Ų86.720%0.20144%0.435CS..EExtended strand (participates in β ladder)trans-91.7119.3175-163.6159.8-93.700108V150 C155 W161 C162 K164 K166V150-E152 PolarHBondContact O-N 2.97Å; V150-E152 VanDerWaalsContact O-N 3.07Å; E152-C155 PolarHBondContact O-SG 3.11Å; E152-W161 WeakPolarHBondContact O-CA 2.97Å; E152-C162 PolarHBondContact N-O 3.16Å; E152-C162 PolarHBondContact O-N 2.03Å; E152-C162 VanDerWaalsContact O-N 3.11Å; E152-K164 VanDerWaalsContact OE2-CD 3.32Å; E152-K164 WeakPolarHBondContact OE2-CD 3.38Å; E152-K164 WeakPolarHBondContact OE2-CE 3.03Å; E152-K164 IonicContact OE2-NZ 3.41Å; E152-K164 PolarHBondContact OE2-NZ 2.95Å; E152-K166 IonicContact OE1-NZ 3.04Å; E152-K166 PolarHBondContact OE1-NZ 2.97Å
153P73Confident63.2Low66 Ų6686.2 Ų86.243%0.42943%0.432SS..EExtended strand (participates in β ladder)trans-72156.6171.832.4-34.5000109.2C155 W161P153-C155 VanDerWaalsContact C-N 3.3Å; P153-C155 PolarHBondContact O-N 2.71Å; P153-W161 HydrophobicContact CB-CD2 4.03Å; P153-W161 HydrophobicContact CB-CE3 3.91Å; P153-W161 HydrophobicContact CB-CH2 4.47Å; P153-W161 HydrophobicContact CB-CZ3 4.16Å; P153-W161 HydrophobicContact CG-CE3 4.34Å; P153-W161 HydrophobicContact CG-CZ3 4.22Å
154N66.9Low63Low97 Ų9786.9 Ų86.952%0.51943%0.427SS..THydrogen-bonded Turntrans6039.1-175.9-58.7-6.7000113.6E156 T157 E158 G159 N160N154-E156 VanDerWaalsContact C-N 3.26Å; N154-E156 PolarHBondContact O-N 3.49Å; N154-T157 VanDerWaalsContact CA-O 3.24Å; N154-T157 WeakPolarHBondContact CA-O 3.43Å; N154-T157 PolarHBondContact OD1-O 3.28Å; N154-E158 WeakPolarHBondContact OD1-CA 3.5Å; N154-G159 PolarHBondContact OD1-N 3.44Å; N154-G159 VanDerWaalsContact OD1-N 3.08Å; N154-N160 PolarHBondContact N-O 3.32Å
155C52.3Low63.6Low12 Ų1289.1 Ų89.18%0.08144%0.435CS..SBendtrans-65.590.9161.6-740000109.4E152 P153 T157 N160 C162E152-C155 PolarHBondContact O-SG 3.11Å; P153-C155 VanDerWaalsContact C-N 3.3Å; P153-C155 PolarHBondContact O-N 2.71Å; C155-T157 PolarHBondContact O-N 2.86Å; C155-T157 PolarHBondContact O-OG1 3.15Å; C155-N160 PolarHBondContact N-O 2.78Å; C155-C162 HydrophobicContact CB-CB 3.4Å; C155-C162 WeakPolarHBondContact CB-SG 3.25Å; C155-C162 VanDerWaalsContact SG-CA 3.56Å; C155-C162 WeakPolarHBondContact SG-CB 3.28Å; C155-C162 PolarHBondContact SG-N 2.96Å; C155-C162 VanDerWaalsContact SG-N 3.37Å; C155-C162 CovalentContact SG-SG 2.02Å; C155-C162 PolarHBondContact SG-SG 2.87Å
156E57.2Low63.3Low117 Ų11789.6 Ų89.655%0.54743%0.43SS..SBendtrans59.1-5.9179.9-59.6179.3100.500115.7N154 P1252 S1253 K1270N154-E156 VanDerWaalsContact C-N 3.26Å; N154-E156 PolarHBondContact O-N 3.49Å; E156-P1252 HydrophobicContact CB-CB 3.48Å; E156-P1252 VanDerWaalsContact CB-CB 3.48Å; E156-P1252 HydrophobicContact CB-CG 4.49Å; E156-P1252 VanDerWaalsContact CD-CB 3.49Å; E156-P1252 HydrophobicContact CG-CB 4.08Å; E156-P1252 WeakPolarHBondContact OE1-CG 3.42Å; E156-P1252 WeakPolarHBondContact OE2-CG 3.33Å; E156-S1253 WeakPolarHBondContact O-CA 3.17Å; E156-S1253 WeakPolarHBondContact O-CB 3.23Å; E156-S1253 PolarHBondContact O-N 2.79Å; E156-S1253 PolarHBondContact O-OG 2.88Å; E156-K1270 IonicContact OE1-NZ 2.72Å; E156-K1270 PolarHBondContact OE1-NZ 2.89Å
157T46.8Very low63.7Low23 Ų2390.8 Ų90.814%0.14144%0.437CS..SBendtrans-136.8136.9-179.5-30.30000112.4N154 C155 G159 N160 S1253 G1254N154-T157 VanDerWaalsContact CA-O 3.24Å; N154-T157 WeakPolarHBondContact CA-O 3.43Å; N154-T157 PolarHBondContact OD1-O 3.28Å; C155-T157 PolarHBondContact O-N 2.86Å; C155-T157 PolarHBondContact O-OG1 3.15Å; T157-G159 PolarHBondContact O-N 3.17Å; T157-G159 VanDerWaalsContact O-N 3.14Å; T157-N160 WeakPolarHBondContact CB-ND2 3.42Å; T157-N160 PolarHBondContact O-N 2.89Å; T157-N160 PolarHBondContact OG1-ND2 3.48Å; T157-S1253 WeakPolarHBondContact CG2-O 3.29Å; T157-S1253 WeakPolarHBondContact OG1-CA 3.35Å; T157-G1254 PolarHBondContact OG1-N 3.22Å
158E62.5Low63.4Low183 Ų18389.5 Ų89.586%0.85543%0.428SS*.THydrogen-bonded Turntrans-56.2120.8163.4-68.1-164.1123.700111.5N154N154-E158 WeakPolarHBondContact OD1-CA 3.5Å
159G65.3Low63.5Low59 Ų5991.6 Ų91.661%0.60844%0.441SS*.THydrogen-bonded Turntrans89.5-13175.600000116.6N154 T157N154-G159 PolarHBondContact OD1-N 3.44Å; N154-G159 VanDerWaalsContact OD1-N 3.08Å; T157-G159 PolarHBondContact O-N 3.17Å; T157-G159 VanDerWaalsContact O-N 3.14Å
160N50.9Low62.6Low66 Ų6686.4 Ų86.435%0.35342%0.424SS..  trans-82133.5169.6-79-39.4000111.3N154 C155 T157 G1254N154-N160 PolarHBondContact N-O 3.32Å; C155-N160 PolarHBondContact N-O 2.78Å; T157-N160 WeakPolarHBondContact CB-ND2 3.42Å; T157-N160 PolarHBondContact O-N 2.89Å; T157-N160 PolarHBondContact OG1-ND2 3.48Å; N160-G1254 WeakPolarHBondContact ND2-CA 3.49Å
161W67Low62.7Low159 Ų15991.5 Ų91.560%0.60244%0.442SS*.EExtended strand (participates in β ladder)trans-100.5130.7167.8-59.875.7000108.7W151 E152 P153W151-W161 HydrophobicContact CB-CE3 3.81Å; W151-W161 HydrophobicContact CB-CZ3 4.3Å; W151-W161 HydrophobicContact CE3-CB 3.78Å; W151-W161 HydrophobicContact CZ3-CB 4.27Å; E152-W161 WeakPolarHBondContact O-CA 2.97Å; P153-W161 HydrophobicContact CB-CD2 4.03Å; P153-W161 HydrophobicContact CB-CE3 3.91Å; P153-W161 HydrophobicContact CB-CH2 4.47Å; P153-W161 HydrophobicContact CB-CZ3 4.16Å; P153-W161 HydrophobicContact CG-CE3 4.34Å; P153-W161 HydrophobicContact CG-CZ3 4.22Å
162C60.9Low61.3Low44 Ų4486 Ų8630%0.29743%0.428SS..EExtended strand (participates in β ladder)trans-121.7154.8167.884.30000111.4W151 E152 C155 K164W151-C162 WeakPolarHBondContact CA-O 3.25Å; E152-C162 PolarHBondContact N-O 3.16Å; E152-C162 PolarHBondContact O-N 2.03Å; E152-C162 VanDerWaalsContact O-N 3.11Å; C155-C162 HydrophobicContact CB-CB 3.4Å; C155-C162 WeakPolarHBondContact CB-SG 3.25Å; C155-C162 VanDerWaalsContact SG-CA 3.56Å; C155-C162 WeakPolarHBondContact SG-CB 3.28Å; C155-C162 PolarHBondContact SG-N 2.96Å; C155-C162 VanDerWaalsContact SG-N 3.37Å; C155-C162 CovalentContact SG-SG 2.02Å; C155-C162 PolarHBondContact SG-SG 2.87Å; C162-K164 PolarHBondContact O-N 3.09Å
163I61Low60.6Low68 Ų6886.8 Ų86.835%0.34944%0.436SS..EExtended strand (participates in β ladder)trans-82.3102.9171.8-64.8176.1000107.8R149 V150 W151R149-I163 HydrophobicContact CB-CG2 3.43Å; R149-I163 VanDerWaalsContact CB-CG2 3.43Å; R149-I163 HydrophobicContact CG-CG2 3.47Å; R149-I163 VanDerWaalsContact CG-CG2 3.47Å; V150-I163 WeakPolarHBondContact O-CA 3.35Å; W151-I163 HydrophobicContact CD2-CD1 4.46Å; W151-I163 HydrophobicContact CD2-CG1 3.74Å; W151-I163 HydrophobicContact CE3-CG1 3.72Å; W151-I163 HydrophobicContact CG-CG1 4.48Å; W151-I163 HydrophobicContact CH2-CD1 3.96Å; W151-I163 HydrophobicContact CH2-CG1 3.92Å; W151-I163 HydrophobicContact CZ2-CD1 3.75Å; W151-I163 HydrophobicContact CZ2-CG1 3.9Å; W151-I163 HydrophobicContact CZ3-CD1 4.38Å; W151-I163 HydrophobicContact CZ3-CG1 3.83Å
164K61.7Low59.3Low96 Ų9688.9 Ų88.942%0.41744%0.44SS..EExtended strand (participates in β ladder)trans-90.6143.3163.5-68.3-167.8-169.6161.50110V150 E152 C162 K166V150-K164 PolarHBondContact N-O 3.48Å; V150-K164 PolarHBondContact O-N 3.13Å; E152-K164 VanDerWaalsContact OE2-CD 3.32Å; E152-K164 WeakPolarHBondContact OE2-CD 3.38Å; E152-K164 WeakPolarHBondContact OE2-CE 3.03Å; E152-K164 IonicContact OE2-NZ 3.41Å; E152-K164 PolarHBondContact OE2-NZ 2.95Å; C162-K164 PolarHBondContact O-N 3.09Å; K164-K166 VanDerWaalsContact C-N 3.33Å; K164-K166 PolarHBondContact O-N 3.39Å; K164-K166 VanDerWaalsContact O-N 3.1Å
165Y67.6Low58.7Low150 Ų15090.2 Ų90.259%0.58844%0.439SS*.EExtended strand (participates in β ladder)trans-78.987.5165.4-70.5-91000108.4L147 T148 R149L147-Y165 HydrophobicContact CB-CD1 4.23Å; T148-Y165 WeakPolarHBondContact O-CA 3.38Å; R149-Y165 HydrophobicContact CG-CD1 4.33Å; R149-Y165 HydrophobicContact CG-CE1 3.84Å
166K62.8Low58.5Low100 Ų10095.3 Ų95.344%0.43546%0.46SS..EExtended strand (participates in β ladder)trans-88.9134.7176.5-153.4162.7-168.91630108.2T148 V150 E152 K164 Q168T148-K166 PolarHBondContact N-O 3.04Å; T148-K166 PolarHBondContact O-N 3.38Å; V150-K166 HydrophobicContact CB-CB 4.08Å; V150-K166 HydrophobicContact CG2-CB 3.72Å; E152-K166 IonicContact OE1-NZ 3.04Å; E152-K166 PolarHBondContact OE1-NZ 2.97Å; K164-K166 VanDerWaalsContact C-N 3.33Å; K164-K166 PolarHBondContact O-N 3.39Å; K164-K166 VanDerWaalsContact O-N 3.1Å; K166-Q168 PolarHBondContact O-N 3.19Å
167E64Low58.4Low137 Ų13792.6 Ų92.664%0.6445%0.451SS*.EExtended strand (participates in β ladder)trans-63.1107.5163.7-70.7-162.6121.200108.1T145 L147T145-E167 HydrophobicContact CG2-CB 4.32Å; L147-E167 HydrophobicContact CD2-CG 3.87Å
168Q62.9Low58.3Low81 Ų8193 Ų9338%0.37945%0.453SS..EExtended strand (participates in β ladder)trans-106.7131.8168.1-71.3-167.9-49.500108.5K146 V150 K166 H170K146-Q168 PolarHBondContact N-O 2.95Å; K146-Q168 PolarHBondContact O-N 3.49Å; K146-Q168 VanDerWaalsContact O-N 3.11Å; V150-Q168 HydrophobicContact CG2-CG 3.86Å; K166-Q168 PolarHBondContact O-N 3.19Å; Q168-H170 PolarHBondContact O-CD2 2.02Å; Q168-H170 PolarHBondContact O-N 2.83Å
169T67.9Low57.5Low71 Ų7189.9 Ų89.944%0.43644%0.437SS..EExtended strand (participates in β ladder)trans-69.896.9166.4-50.70000108.3P143 Y171P143-T169 HydrophobicContact CB-CG2 3.32Å; T169-Y171 HydrophobicContact CG2-CE1 4.26Å
170H57.4Low56.8Low63 Ų6393.8 Ų93.829%0.29244%0.437SS..EExtended strand (participates in β ladder)trans-77.8146.1167.3-79.1-99.9000108.9P143 Y144 T148 Q168P143-H170 WeakPolarHBondContact CA-O 3.32Å; Y144-H170 HydrophobicContact CD1-CB 3.9Å; Y144-H170 WeakPolarHBondContact CD1-O 3.13Å; Y144-H170 HydrophobicContact CD2-CB 4.48Å; Y144-H170 HydrophobicContact CE1-CB 3.33Å; Y144-H170 HydrophobicContact CE2-CB 4.02Å; Y144-H170 HydrophobicContact CG-CB 4.44Å; Y144-H170 VanDerWaalsContact CZ-CB 3.4Å; Y144-H170 PolarHBondContact N-O 3.44Å; Y144-H170 PolarHBondContact O-N 2.92Å; T148-H170 PolarHBondContact OG1-CD2 2.83Å; T148-H170 PolarHBondContact OG1-NE2 2.9Å; Q168-H170 PolarHBondContact O-CD2 2.02Å; Q168-H170 PolarHBondContact O-N 2.83Å
171Y67.7Low56.3Low133 Ų13395 Ų9552%0.52245%0.447SS..EExtended strand (participates in β ladder)trans-103.3100176.6-66.7-75.9000109Q141 I142 P143 T169 V173Q141-Y171 HydrophobicContact CB-CD1 3.89Å; Q141-Y171 HydrophobicContact CB-CG 4.26Å; I142-Y171 WeakPolarHBondContact O-CA 3.29Å; P143-Y171 HydrophobicContact CB-CD1 4.36Å; P143-Y171 HydrophobicContact CB-CE1 4.1Å; T169-Y171 HydrophobicContact CG2-CE1 4.26Å; Y171-V173 PolarHBondContact O-N 3.27Å
172A43.3Very low55.1Low37 Ų3790.1 Ų90.131%0.30644%0.441SS..EExtended strand (participates in β ladder)trans-64.2117.2169.100000107.9I142 Y144 H174I142-A172 HydrophobicContact CB-CB 4.4Å; I142-A172 PolarHBondContact N-O 2.72Å; I142-A172 PolarHBondContact O-N 2.82Å; Y144-A172 HydrophobicContact CD1-CB 3.79Å; Y144-A172 HydrophobicContact CE1-CB 3.75Å; A172-H174 VanDerWaalsContact C-N 3.27Å; A172-H174 PolarHBondContact O-N 3.45Å
173V53.7Low54.2Low60 Ų6093.9 Ų93.936%0.36447%0.465SS..EExtended strand (participates in β ladder)trans-78.683.3175.7-177.60000107.9R139 Y171 Y175R139-V173 HydrophobicContact CG-CG1 3.65Å; Y171-V173 PolarHBondContact O-N 3.27Å; V173-Y175 HydrophobicContact CG1-CE2 4.5Å
174H44.7Very low53.4Low110 Ų11094.4 Ų94.451%0.50947%0.471SS..EExtended strand (participates in β ladder)trans-84.5126.4175.6-152.5-70.9000109.3I140 I142 A172 K176I140-H174 PolarHBondContact N-O 3.28Å; I140-H174 PolarHBondContact O-N 3.3Å; I140-H174 VanDerWaalsContact O-O 3.12Å; I142-H174 HydrophobicContact CD1-CB 3.68Å; I142-H174 HydrophobicContact CG1-CB 4.11Å; A172-H174 VanDerWaalsContact C-N 3.27Å; A172-H174 PolarHBondContact O-N 3.45Å; H174-K176 PolarHBondContact O-N 3.28Å
175Y54.6Low52.9Low126 Ų12698.2 Ų98.249%0.49449%0.488SS..EExtended strand (participates in β ladder)trans-82101.8168.1-63.9-77.6000107.8R137 V173 T177R137-Y175 HydrophobicContact CB-CD1 3.95Å; R137-Y175 HydrophobicContact CB-CG 4.49Å; V173-Y175 HydrophobicContact CG1-CE2 4.5Å; Y175-T177 PolarHBondContact O-N 2.93Å
176K48.1Very low52.2Low119 Ų11995.1 Ų95.152%0.51748%0.478SS..EExtended strand (participates in β ladder)trans-80116.6167.2-172.1172.3-176.4169.50107.4Q138 I140 H174 V178Q138-K176 PolarHBondContact N-O 3.33Å; Q138-K176 PolarHBondContact O-N 3.1Å; I140-K176 HydrophobicContact CD1-CB 3.51Å; I140-K176 HydrophobicContact CD1-CD 3.66Å; I140-K176 HydrophobicContact CD1-CG 4.18Å; I140-K176 HydrophobicContact CG1-CB 3.97Å; H174-K176 PolarHBondContact O-N 3.28Å; K176-V178 HydrophobicContact CB-CG1 4.43Å; K176-V178 HydrophobicContact CD-CG1 4.06Å; K176-V178 HydrophobicContact CG-CG1 3.91Å; K176-V178 PolarHBondContact O-N 3.06Å; K176-V178 VanDerWaalsContact O-N 3.08Å
177T55Low52.5Low60 Ų6093.1 Ų93.137%0.36847%0.472SS..EExtended strand (participates in β ladder)trans-64.7108.1165.9-58.40000107.5Q135 Y175 F179Q135-T177 HydrophobicContact CB-CG2 4.02Å; Q135-T177 HydrophobicContact CG-CG2 3.61Å; Y175-T177 PolarHBondContact O-N 2.93Å; T177-F179 HydrophobicContact CG2-CE1 4.15Å; T177-F179 HydrophobicContact CG2-CZ 4.16Å
178V45.4Very low52.9Low30 Ų3090.7 Ų90.718%0.18246%0.457CS..EExtended strand (participates in β ladder)trans-111.4136.1171.7-660000109.2Y136 Q138 K176Y136-V178 PolarHBondContact N-O 3.06Å; Y136-V178 PolarHBondContact O-N 3.35Å; Q138-V178 HydrophobicContact CB-CG1 4.28Å; Q138-V178 HydrophobicContact CB-CG2 3.58Å; K176-V178 HydrophobicContact CB-CG1 4.43Å; K176-V178 HydrophobicContact CD-CG1 4.06Å; K176-V178 HydrophobicContact CG-CG1 3.91Å; K176-V178 PolarHBondContact O-N 3.06Å; K176-V178 VanDerWaalsContact O-N 3.08Å
179F45.9Very low53.7Low118 Ų11888.1 Ų88.152%0.51845%0.448SS..EExtended strand (participates in β ladder)trans-90.5107.9177.9-58.5-68.7000108.5P133 Q135 T177P133-F179 HydrophobicContact CB-CB 3.69Å; P133-F179 HydrophobicContact CB-CD1 3.62Å; P133-F179 HydrophobicContact CB-CE1 4.41Å; P133-F179 HydrophobicContact CB-CG 3.8Å; P133-F179 WeakPolarHBondContact O-CD1 3.26Å; Q135-F179 HydrophobicContact CG-CD1 4.14Å; Q135-F179 HydrophobicContact CG-CE1 3.62Å; T177-F179 HydrophobicContact CG2-CE1 4.15Å; T177-F179 HydrophobicContact CG2-CZ 4.16Å
180K51Low54.2Low141 Ų14185.8 Ų85.861%0.61343%0.434SS*.EExtended strand (participates in β ladder)trans-90.8123.1168.1-78.8-167.9171.7-1730109.2R134 Y136R134-K180 PolarHBondContact O-N 3.47Å; Y136-K180 HydrophobicContact CD2-CB 3.72Å; Y136-K180 HydrophobicContact CD2-CD 4.45Å; Y136-K180 HydrophobicContact CD2-CG 4.22Å; Y136-K180 HydrophobicContact CE2-CB 3.79Å
181T40.5Very low54.7Low92 Ų9288.5 Ų88.556%0.56446%0.458SS*.EExtended strand (participates in β ladder)trans-88.2109.4-178.747.30000109.6P131P131-T181 HydrophobicContact CB-CG2 3.72Å; P131-T181 HydrophobicContact CG-CG2 4.5Å
182A41.8Very low54.3Low57 Ų5784.6 Ų84.647%0.47146%0.457SS..  trans-94.5129.9171.200000109T184A182-T184 PolarHBondContact O-N 3.22Å
183P42.3Very low55.8Low122 Ų12285.9 Ų85.979%0.79246%0.456SS*.  trans-77.184.1-175.530.4-35.2000111.9
184T43.3Very low56.5Low79 Ų7985.3 Ų85.349%0.48545%0.453SS..  trans-84.5115.8167.148.80000110.1A182A182-T184 PolarHBondContact O-N 3.22Å
185K50.3Low57.5Low176 Ų17685.6 Ų85.677%0.76545%0.449SS*.EExtended strand (participates in β ladder)trans-69.4132.1170.9-62.9-174.8178.7-173.30109.6
186Q52.9Low57.6Low85 Ų8583.9 Ų83.940%0.39745%0.446SS..EExtended strand (participates in β ladder)trans-133.6131.2170.6-163.4171.844.300110.1E128 R188E128-Q186 PolarHBondContact N-O 2.86Å; E128-Q186 VanDerWaalsContact N-O 3.11Å; E128-Q186 PolarHBondContact O-N 3.17Å; Q186-R188 HydrophobicContact CG-CG 4.4Å
187L70.6Confident57.6Low58 Ų5884.5 Ų84.530%0.30446%0.462SS..EExtended strand (participates in β ladder)trans-76.6130.9170.9-73.8165.4000109.1L118 E120 V125 F127L118-L187 WeakPolarHBondContact O-CD1 3.47Å; E120-L187 HydrophobicContact CB-CD2 4.39Å; V125-L187 HydrophobicContact CG1-CB 4.09Å; V125-L187 HydrophobicContact CG1-CD2 3.84Å; F127-L187 HydrophobicContact CD1-CD2 3.87Å; F127-L187 HydrophobicContact CD1-CG 4.44Å; F127-L187 HydrophobicContact CE1-CD2 3.61Å; F127-L187 HydrophobicContact CE1-CG 4.13Å; F127-L187 HydrophobicContact CE2-CD2 4.45Å; F127-L187 HydrophobicContact CG-CD2 4.41Å; F127-L187 HydrophobicContact CZ-CD2 3.93Å
188R71.7Confident57.5Low86 Ų8685.7 Ų85.733%0.32549%0.487SS..EExtended strand (participates in β ladder)trans-146.7167-177.9-71.4-178172-148-10.7110.1V125 C126 E128 N130 Q186V125-R188 CarbonylContact C-O 3.35Å; V125-R188 WeakPolarHBondContact CA-O 3.3Å; V125-R188 WeakPolarHBondContact CG1-O 3.33Å; C126-R188 PolarHBondContact N-O 3.38Å; C126-R188 PolarHBondContact O-N 3.41Å; E128-R188 WeakPolarHBondContact OE2-CD 3.07Å; E128-R188 IonicContact OE2-CZ 2.73Å; E128-R188 IonicContact OE2-NE 2.73Å; E128-R188 PolarHBondContact OE2-NE 2.04Å; E128-R188 IonicContact OE2-NH1 3.18Å; E128-R188 PolarHBondContact OE2-NH1 2.78Å; N130-R188 PolarHBondContact ND2-NH1 3.5Å; Q186-R188 HydrophobicContact CG-CG 4.4Å
189C79.4Confident58.2Low28 Ų2891.7 Ų91.719%0.18951%0.507CS..EExtended strand (participates in β ladder)trans-60.8141.5166.2-57.70000110.7F193 T194 R195 C202C189-F193 HydrophobicContact CB-CB 4.12Å; C189-F193 WeakPolarHBondContact CB-O 2.99Å; C189-T194 VanDerWaalsContact SG-C 3.53Å; C189-R195 PolarHBondContact SG-N 3.18Å; C189-C202 WeakPolarHBondContact CA-SG 3.43Å; C189-C202 HydrophobicContact CB-CB 3.53Å; C189-C202 WeakPolarHBondContact CB-SG 3.46Å; C189-C202 WeakPolarHBondContact SG-CB 3.24Å; C189-C202 CovalentContact SG-SG 2.03Å; C189-C202 PolarHBondContact SG-SG 2.88Å
190C79.1Confident59.1Low21 Ų2193.5 Ų93.514%0.14252%0.517CS..PPolyproline II helixtrans-60.5154.3172.8-64.70000111.3N124 C126 G192 F193N124-C190 PolarHBondContact O-N 2.81Å; N124-C190 PolarHBondContact O-SG 3Å; N124-C190 VanDerWaalsContact O-SG 3.35Å; C126-C190 HydrophobicContact CB-CB 3.93Å; C126-C190 WeakPolarHBondContact CB-SG 3.48Å; C126-C190 PolarHBondContact N-SG 2.9Å; C126-C190 VanDerWaalsContact N-SG 3.44Å; C126-C190 VanDerWaalsContact SG-CA 3.57Å; C126-C190 WeakPolarHBondContact SG-CB 3Å; C126-C190 CovalentContact SG-SG 2.04Å; C126-C190 PolarHBondContact SG-SG 3.04Å; C190-G192 PolarHBondContact O-N 2.77Å; C190-F193 HydrophobicContact CB-CD2 3.9Å; C190-F193 HydrophobicContact CB-CE2 4.49Å; C190-F193 WeakPolarHBondContact O-CB 3.46Å; C190-F193 PolarHBondContact O-N 2.79Å
191P68.4Low60.4Low121 Ų12187 Ų8779%0.78649%0.49SS*.THydrogen-bonded Turntrans-51.8127173.5-26.935.5000111.4
192G57.5Low62.1Low50 Ų5082.7 Ų82.752%0.51546%0.463SS..THydrogen-bonded Turntrans896.4-172.800000115.4C190 V205C190-G192 PolarHBondContact O-N 2.77Å; G192-V205 PolarHBondContact O-N 3.01Å
193F76.1Confident63.6Low65 Ų6581.2 Ų81.229%0.28545%0.449SS..EExtended strand (participates in β ladder)trans-128.4153.1176.9-61-100.3000112.2N124 C189 C190 C202 V203 P204N124-F193 HydrophobicContact CB-CB 4.1Å; N124-F193 HydrophobicContact CB-CD1 3.33Å; N124-F193 HydrophobicContact CB-CD2 4.02Å; N124-F193 HydrophobicContact CB-CE1 3.66Å; N124-F193 HydrophobicContact CB-CE2 4.3Å; N124-F193 HydrophobicContact CB-CG 3.55Å; N124-F193 HydrophobicContact CB-CZ 4.13Å; N124-F193 WeakPolarHBondContact ND2-CD1 3.29Å; N124-F193 VanDerWaalsContact ND2-CE1 3.33Å; N124-F193 WeakPolarHBondContact ND2-CE1 3.25Å; N124-F193 WeakPolarHBondContact OD1-CE1 3.39Å; C189-F193 HydrophobicContact CB-CB 4.12Å; C189-F193 WeakPolarHBondContact CB-O 2.99Å; C190-F193 HydrophobicContact CB-CD2 3.9Å; C190-F193 HydrophobicContact CB-CE2 4.49Å; C190-F193 WeakPolarHBondContact O-CB 3.46Å; C190-F193 PolarHBondContact O-N 2.79Å; F193-C202 HydrophobicContact CB-CB 3.91Å; F193-V203 CarbonylContact C-O 3.54Å; F193-V203 VanDerWaalsContact CA-O 3.24Å; F193-V203 WeakPolarHBondContact CA-O 3.5Å; F193-P204 HydrophobicContact CD1-CB 4.38Å; F193-P204 HydrophobicContact CD1-CG 4.14Å; F193-P204 HydrophobicContact CE1-CB 4.29Å; F193-P204 HydrophobicContact CE1-CG 3.8Å
194T68.9Low64.2Low47 Ų4779.5 Ų79.529%0.28844%0.437SS..EExtended strand (participates in β ladder)trans-138.3154.3-176.4-178.10000111.3C189 C202 V203 V205C189-T194 VanDerWaalsContact SG-C 3.53Å; T194-C202 CarbonylContact O-C 3.5Å; T194-C202 WeakPolarHBondContact O-CA 3.33Å; T194-V203 HydrophobicContact CG2-CG2 4.22Å; T194-V203 PolarHBondContact N-O 3.31Å; T194-V203 WeakPolarHBondContact O-CG2 3.38Å; T194-V203 PolarHBondContact O-N 3.07Å; T194-V205 HydrophobicContact CG2-CG2 3.93Å
195R64.3Low64.3Low116 Ų11679.5 Ų79.544%0.43844%0.437SS..  trans-88.8127.3178-172.1177173.9-132-3.2109.4I115 D116 C189I115-R195 VanDerWaalsContact CG2-NH2 3.27Å; D116-R195 PolarHBondContact O-NH2 3.25Å; C189-R195 PolarHBondContact SG-N 3.18Å
196Q57.8Low63.7Low90 Ų9074.6 Ų74.642%0.42143%0.429SS..  trans-116.9141.6174.3-76.7-172.7-3.100110.4G198 Y199 V203Q196-G198 PolarHBondContact O-N 3.07Å; Q196-Y199 HydrophobicContact CB-CD2 4.1Å; Q196-Y199 PolarHBondContact O-N 3.17Å; Q196-V203 HydrophobicContact CB-CG2 4.16Å; Q196-V203 HydrophobicContact CG-CG2 3.66Å
197P47.4Very low62.8Low132 Ų13274.5 Ų74.586%0.85744%0.438SS*.THydrogen-bonded Turntrans-58130.1168.3-21.433.3000110.6
198G53.1Low61.2Low86 Ų8677 Ų7789%0.88745%0.452SS*.THydrogen-bonded Turntrans93.12.6177.600000116.7Q196Q196-G198 PolarHBondContact O-N 3.07Å
199Y59.4Low60.1Low155 Ų15576 Ų7661%0.60846%0.457SS*.SBendtrans-121.2140.2173.9-73.3-86.1000111.9Q196 V203Q196-Y199 HydrophobicContact CB-CD2 4.1Å; Q196-Y199 PolarHBondContact O-N 3.17Å; Y199-V203 HydrophobicContact CD1-CG1 4.14Å; Y199-V203 HydrophobicContact CD2-CG1 4.41Å; Y199-V203 HydrophobicContact CG-CG1 3.91Å
200E66.2Low58.2Low157 Ų15781.1 Ų81.173%0.73448%0.483SS*.SBendtrans-72127.5171.7-66.2-169.2146.200110.8P123P123-E200 WeakPolarHBondContact CG-O 3.44Å
201G76.5Confident56.5Low3 Ų387.5 Ų87.53%0.03151%0.511CS..SBendtrans75.7-134.3179.800000114.4
202C78Confident55.3Low2 Ų289.9 Ų89.91%0.01452%0.516CS..  trans-129132.6-174.6-62.10000111.5P123 N124 C189 F193 T194P123-C202 PolarHBondContact O-N 3.19Å; N124-C202 HydrophobicContact CB-CB 4.24Å; N124-C202 WeakPolarHBondContact CB-O 3.05Å; N124-C202 PolarHBondContact ND2-O 2.96Å; C189-C202 WeakPolarHBondContact CA-SG 3.43Å; C189-C202 HydrophobicContact CB-CB 3.53Å; C189-C202 WeakPolarHBondContact CB-SG 3.46Å; C189-C202 WeakPolarHBondContact SG-CB 3.24Å; C189-C202 CovalentContact SG-SG 2.03Å; C189-C202 PolarHBondContact SG-SG 2.88Å; F193-C202 HydrophobicContact CB-CB 3.91Å; T194-C202 CarbonylContact O-C 3.5Å; T194-C202 WeakPolarHBondContact O-CA 3.33Å
203V72.3Confident54.7Low27 Ų2791.7 Ų91.716%0.16451%0.514CS..EExtended strand (participates in β ladder)trans-99.3154.1-179.6-63.40000110.8F193 T194 Q196 Y199F193-V203 CarbonylContact C-O 3.54Å; F193-V203 VanDerWaalsContact CA-O 3.24Å; F193-V203 WeakPolarHBondContact CA-O 3.5Å; T194-V203 HydrophobicContact CG2-CG2 4.22Å; T194-V203 PolarHBondContact N-O 3.31Å; T194-V203 WeakPolarHBondContact O-CG2 3.38Å; T194-V203 PolarHBondContact O-N 3.07Å; Q196-V203 HydrophobicContact CB-CG2 4.16Å; Q196-V203 HydrophobicContact CG-CG2 3.66Å; Y199-V203 HydrophobicContact CD1-CG1 4.14Å; Y199-V203 HydrophobicContact CD2-CG1 4.41Å; Y199-V203 HydrophobicContact CG-CG1 3.91Å
204P55.3Low53.2Low85 Ų8592.2 Ų92.255%0.55252%0.52SS*.EExtended strand (participates in β ladder)trans-55.6142.6179.4-24.833000113F193 A206F193-P204 HydrophobicContact CD1-CB 4.38Å; F193-P204 HydrophobicContact CD1-CG 4.14Å; F193-P204 HydrophobicContact CE1-CB 4.29Å; F193-P204 HydrophobicContact CE1-CG 3.8Å; P204-A206 PolarHBondContact O-N 2.86Å; P204-A206 VanDerWaalsContact O-N 3.11Å
205V46Very low52.5Low80 Ų8098 Ų9849%0.48554%0.537SS..  trans-73.698.1165.2177.70000107.5G192 T194 S207G192-V205 PolarHBondContact O-N 3.01Å; T194-V205 HydrophobicContact CG2-CG2 3.93Å; V205-S207 PolarHBondContact O-N 3.41Å
206A37.6Very low52.2Low72 Ų7293 Ų9360%0.59552%0.52SS*.  trans-56.2125.3166.800000109.1P204 D208P204-A206 PolarHBondContact O-N 2.86Å; P204-A206 VanDerWaalsContact O-N 3.11Å; A206-D208 PolarHBondContact O-N 2.72Å; A206-D208 VanDerWaalsContact O-N 3.1Å
207S33.4Very low52.2Low84 Ų8493 Ų9359%0.58752%0.52SS*.  trans-90.944.3-164.845.70000112.7V205 C209V205-S207 PolarHBondContact O-N 3.41Å; S207-C209 VanDerWaalsContact C-N 3.28Å; S207-C209 PolarHBondContact O-N 3.37Å
208D37.8Very low52.6Low109 Ų10990 Ų9058%0.58350%0.497SS*.THydrogen-bonded Turntrans-84.965.1-164.6-62.3-22.7000113.1A206 N214A206-D208 PolarHBondContact O-N 2.72Å; A206-D208 VanDerWaalsContact O-N 3.1Å; D208-N214 PolarHBondContact O-ND2 3.49Å
209C47.8Very low52.9Low66 Ų6690 Ų9045%0.44648%0.477SS..THydrogen-bonded Turntrans-114.32.9151.6-67.80000111.8S207 C220S207-C209 VanDerWaalsContact C-N 3.28Å; S207-C209 PolarHBondContact O-N 3.37Å; C209-C220 VanDerWaalsContact SG-SG 3.69Å
210N39Very low52.9Low135 Ų13584.7 Ų84.772%0.72246%0.462SS*.SBendtrans-95.3-3.1-168.6-71.5-20.4000115.3
211E44Very low52.3Low156 Ų15678.1 Ų78.173%0.72944%0.436SS*.SBendtrans-132.2135.9168.1-65.6-166.7166.800111.7N213E211-N213 VanDerWaalsContact C-N 3.35Å; E211-N213 PolarHBondContact O-N 3.26Å
212L43.4Very low50.9Low170 Ų17086.4 Ų86.489%0.8947%0.474SS*.G310 helixtrans51.630.8161.9-79160.4000118.9N214L212-N214 PolarHBondContact O-N 3.44Å
213N45.3Very low49.1Very low89 Ų8991.7 Ų91.748%0.47650%0.501SS..G310 helixtrans53.116174.1-152.532.3000115.6E211 Y215 C216E211-N213 VanDerWaalsContact C-N 3.35Å; E211-N213 PolarHBondContact O-N 3.26Å; N213-Y215 PolarHBondContact O-N 2.03Å; N213-C216 PolarHBondContact ND2-O 3.37Å; N213-C216 PolarHBondContact O-N 2.77Å
214N44.5Very low47.3Very low76 Ų7696.7 Ų96.741%0.40653%0.534SS..G310 helixtrans3640.5-178.5-99.6-41.1000117D208 L212 C216D208-N214 PolarHBondContact O-ND2 3.49Å; L212-N214 PolarHBondContact O-N 3.44Å; N214-C216 PolarHBondContact O-N 2.87Å
215Y53.8Low46.7Very low167 Ų16796.3 Ų96.366%0.65555%0.545SS*.G310 helixtrans62.910.2-177.6-57.5-101000116.1N213 R242N213-Y215 PolarHBondContact O-N 2.03Å; Y215-R242 VanDerWaalsContact CB-CZ 3.48Å; Y215-R242 VanDerWaalsContact O-CB 3.25Å; Y215-R242 WeakPolarHBondContact O-CB 3.4Å
216C57Low46.4Very low13 Ų1395 Ų959%0.08854%0.54CS..  trans-69.3136.8167.1-64.70000110N213 N214 C229N213-C216 PolarHBondContact ND2-O 3.37Å; N213-C216 PolarHBondContact O-N 2.77Å; N214-C216 PolarHBondContact O-N 2.87Å; C216-C229 WeakPolarHBondContact CA-SG 3.08Å; C216-C229 HydrophobicContact CB-CB 3.76Å; C216-C229 WeakPolarHBondContact CB-SG 2.97Å; C216-C229 WeakPolarHBondContact SG-CB 3.44Å; C216-C229 CovalentContact SG-SG 2.04Å; C216-C229 PolarHBondContact SG-SG 3.09Å
217Q57.7Low46.8Very low88 Ų88103.5 Ų103.541%0.41156%0.556SS.*SBendtrans-77-27.1178.5-178.3177.5-22.500113.5R242 R243 C244Q217-R242 PolarHBondContact N-O 3.28Å; Q217-R243 VanDerWaalsContact OE1-CA 3.23Å; Q217-R243 VanDerWaalsContact OE1-CB 3.25Å; Q217-C244 PolarHBondContact NE2-O 3.18Å; Q217-C244 PolarHBondContact OE1-O 2.03Å
218N57.1Low47.9Very low71 Ų71104 Ų10438%0.3855%0.552SS.*SBendtrans-127.5-101.7179.7-74.8-56.5000111.4P232 C244N218-P232 WeakPolarHBondContact ND2-CD 3.17Å; N218-C244 PolarHBondContact ND2-SG 2.04Å
219D57.7Low49.3Very low86 Ų8699.5 Ų99.546%0.4653%0.529SS..EExtended strand (participates in β ladder)trans-106.5155.8-170.3-179.734.8000112.4C229 R230D219-C229 WeakPolarHBondContact O-CA 3.41Å; D219-R230 HydrophobicContact CB-CB 4.23Å; D219-R230 PolarHBondContact N-O 3.33Å; D219-R230 PolarHBondContact O-N 3.31Å
220C59.7Low50.1Low43 Ų43104.1 Ų104.129%0.29154%0.537SS..EExtended strand (participates in β ladder)trans-116.1105.3-180-1710000110.3C209 Q222C209-C220 VanDerWaalsContact SG-SG 3.69Å; C220-Q222 PolarHBondContact O-N 2.04Å; C220-Q222 VanDerWaalsContact O-N 3.12Å
221G53.6Low51.5Low19 Ų1999 Ų9920%0.19651%0.512CS..  trans-72.5106.1-17200000113.1I223 N228G221-I223 VanDerWaalsContact C-N 3.31Å; G221-I223 PolarHBondContact O-N 2.91Å; G221-N228 PolarHBondContact N-O 3.18Å
222Q48.6Very low52.5Low176 Ų17694 Ų9482%0.82249%0.493SS*.  trans-70.181.5173.9-68.7-169.6-3.700112.4C220C220-Q222 PolarHBondContact O-N 2.04Å; C220-Q222 VanDerWaalsContact O-N 3.12Å
223I40.4Very low53.6Low113 Ų11391.8 Ų91.858%0.57949%0.489SS*.BIsolated β-bridgetrans-110.5122.6165.2-58.9177.6000108.1G221 G225 S226G221-I223 VanDerWaalsContact C-N 3.31Å; G221-I223 PolarHBondContact O-N 2.91Å; I223-G225 PolarHBondContact O-N 3.08Å; I223-S226 PolarHBondContact O-N 2.9Å
224P34.2Very low54.8Low133 Ų13388.3 Ų88.386%0.86447%0.474SS*.THydrogen-bonded Turntrans-57.9110.2178.1-25.434.8000112
225G42Very low56.5Low76 Ų7687.6 Ų87.678%0.78447%0.466SS*.THydrogen-bonded Turntrans107.7-7.1175.100000116.8I223I223-G225 PolarHBondContact O-N 3.08Å
226S39.7Very low57.7Low53 Ų5384.2 Ų84.237%0.37146%0.455SS..BIsolated β-bridgetrans-127.6119.817964.90000113.6I223 N228I223-S226 PolarHBondContact O-N 2.9Å; S226-N228 PolarHBondContact O-N 3.12Å
227R45.9Very low58.3Low251 Ų25185.9 Ų85.995%0.94746%0.463SS*.  trans-73.4106.4167.2-75.7175.6-82.5-179.4-6.6109.1
228N57.8Low58.8Low93 Ų9381.9 Ų81.950%0.49745%0.445SS..  trans-146.3114.8178.3-137.329.1000111.2G221 S226G221-N228 PolarHBondContact N-O 3.18Å; S226-N228 PolarHBondContact O-N 3.12Å
229C67.2Low59.6Low15 Ų1584.5 Ų84.510%0.10147%0.466CS..EExtended strand (participates in β ladder)trans-67.4143.7165.6-57.80000108.9C216 D219 L237 K241C216-C229 WeakPolarHBondContact CA-SG 3.08Å; C216-C229 HydrophobicContact CB-CB 3.76Å; C216-C229 WeakPolarHBondContact CB-SG 2.97Å; C216-C229 WeakPolarHBondContact SG-CB 3.44Å; C216-C229 CovalentContact SG-SG 2.04Å; C216-C229 PolarHBondContact SG-SG 3.09Å; D219-C229 WeakPolarHBondContact O-CA 3.41Å; C229-L237 HydrophobicContact CB-CD1 3.68Å; C229-L237 HydrophobicContact CB-CD2 4.41Å; C229-K241 PolarHBondContact SG-O 2.83Å
230R63.4Low60.1Low163 Ų16383.1 Ų83.162%0.61546%0.458SS*.EExtended strand (participates in β ladder)trans-114.2128.9-176.9-166.9179.4-169.6178.23109.8D219D219-R230 HydrophobicContact CB-CB 4.23Å; D219-R230 PolarHBondContact N-O 3.33Å; D219-R230 PolarHBondContact O-N 3.31Å
231C68.4Low60.2Low28 Ų2888.1 Ų88.119%0.18948%0.475CS..PPolyproline II helixtrans-97.5152.1177.4-61.70000111.4Y235 C244C231-Y235 WeakPolarHBondContact CB-O 3.4Å; C231-C244 WeakPolarHBondContact CA-SG 3.43Å; C231-C244 HydrophobicContact CB-CB 3.85Å; C231-C244 WeakPolarHBondContact CB-SG 3.24Å; C231-C244 WeakPolarHBondContact SG-CA 3.25Å; C231-C244 WeakPolarHBondContact SG-CB 3.23Å; C231-C244 CovalentContact SG-SG 2.05Å; C231-C244 PolarHBondContact SG-SG 3.06Å
232P64.6Low60.8Low51 Ų5192.2 Ų92.233%0.33149%0.485SS..PPolyproline II helixtrans-61163.9168.1-19.532.2000111.7N218 Y235N218-P232 WeakPolarHBondContact ND2-CD 3.17Å; P232-Y235 HydrophobicContact CB-CD2 4.07Å; P232-Y235 HydrophobicContact CG-CD2 4.31Å; P232-Y235 PolarHBondContact O-N 3.03Å
233P68Low61.8Low123 Ų12390.4 Ų90.480%0.79947%0.47SS*.THydrogen-bonded Turntrans-51.3142.5164.5-23.134.4000111.2Y235P233-Y235 VanDerWaalsContact C-N 3.34Å
234G70Confident63.4Low16 Ų1685.2 Ų85.217%0.16544%0.444CS..THydrogen-bonded Turntrans82.21-174.900000115.4I247G234-I247 PolarHBondContact O-N 3.19Å
235Y80.4Confident65.3Low62 Ų6282.4 Ų82.424%0.24342%0.421CS..EExtended strand (participates in β ladder)trans-127.6137.9179.3-67.2-95.4000112.2C231 P232 P233 C244 L245 D246 P265 G266C231-Y235 WeakPolarHBondContact CB-O 3.4Å; P232-Y235 HydrophobicContact CB-CD2 4.07Å; P232-Y235 HydrophobicContact CG-CD2 4.31Å; P232-Y235 PolarHBondContact O-N 3.03Å; P233-Y235 VanDerWaalsContact C-N 3.34Å; Y235-C244 HydrophobicContact CD1-CB 4.31Å; Y235-C244 HydrophobicContact CG-CB 4.49Å; Y235-L245 CarbonylContact C-O 3.57Å; Y235-L245 VanDerWaalsContact CA-O 3.29Å; Y235-L245 WeakPolarHBondContact CA-O 3.35Å; Y235-D246 HydrophobicContact CD1-CB 4.47Å; Y235-D246 HydrophobicContact CE1-CB 4.28Å; Y235-P265 WeakPolarHBondContact OH-CA 3.03Å; Y235-P265 WeakPolarHBondContact OH-CB 3.24Å; Y235-G266 PolarHBondContact OH-N 2.89Å
236F77.7Confident67.1Low95 Ų9580.8 Ų80.842%0.41740%0.395SS..EExtended strand (participates in β ladder)trans-104.6153.2172.376.6-81.5000111.7A238 C244 L245 D246 I247F236-A238 PolarHBondContact O-N 2.87Å; F236-C244 CarbonylContact O-C 3.51Å; F236-C244 WeakPolarHBondContact O-CA 3.24Å; F236-L245 HydrophobicContact CD1-CB 3.99Å; F236-L245 WeakPolarHBondContact CD1-O 3.27Å; F236-L245 HydrophobicContact CE1-CB 3.5Å; F236-L245 HydrophobicContact CE1-CD1 4.45Å; F236-L245 HydrophobicContact CE2-CB 4.27Å; F236-L245 HydrophobicContact CE2-CD1 4.15Å; F236-L245 HydrophobicContact CZ-CB 3.67Å; F236-L245 HydrophobicContact CZ-CD1 3.77Å; F236-L245 HydrophobicContact CZ-CG 4.38Å; F236-L245 PolarHBondContact N-O 2.89Å; F236-L245 PolarHBondContact O-N 2.84Å; F236-D246 WeakPolarHBondContact CE1-O 3.49Å; F236-I247 HydrophobicContact CB-CD1 4.38Å; F236-I247 HydrophobicContact CB-CG1 3.91Å; F236-I247 HydrophobicContact CD1-CG1 3.85Å; F236-I247 HydrophobicContact CG-CG1 4.37Å
237L71.6Confident68.9Low49 Ų4981.3 Ų81.326%0.25739%0.393SS..EExtended strand (participates in β ladder)trans-80.1122.5176.9-165.671.8000109.9C229 K241C229-L237 HydrophobicContact CB-CD1 3.68Å; C229-L237 HydrophobicContact CB-CD2 4.41Å; L237-K241 HydrophobicContact CD2-CB 4.09Å
238A67.9Low70.5Confident4 Ų472.4 Ų72.43%0.03336%0.364CS..  trans-62.3164.2-177.200000112.8F236 D240 K241 R243 L245F236-A238 PolarHBondContact O-N 2.87Å; A238-D240 PolarHBondContact O-N 3.17Å; A238-K241 WeakPolarHBondContact O-CA 3.23Å; A238-K241 PolarHBondContact O-N 3.25Å; A238-R243 HydrophobicContact CB-CB 3.93Å; A238-R243 WeakPolarHBondContact CB-O 3.4Å; A238-R243 PolarHBondContact N-O 3.06Å; A238-L245 HydrophobicContact CB-CD1 3.62Å; A238-L245 HydrophobicContact CB-CG 3.9Å
239P72.5Confident71.7Confident126 Ų12670 Ų7082%0.81835%0.349SS*.THydrogen-bonded Turntrans-56.3-21.8178.8-2836.4000115.4K241P239-K241 PolarHBondContact O-N 3.2Å
240D69.1Low72.5Confident57 Ų5770.6 Ų70.631%0.30535%0.354SS..THydrogen-bonded Turntrans-77.8-2.817459.530.7000114.5A238 R242 R243A238-D240 PolarHBondContact O-N 3.17Å; D240-R242 HydrophobicContact CB-CB 4.47Å; D240-R242 WeakPolarHBondContact O-CG 3.12Å; D240-R242 PolarHBondContact O-N 3.26Å; D240-R242 WeakPolarHBondContact OD1-CA 3.17Å; D240-R242 WeakPolarHBondContact OD1-CB 3.46Å; D240-R242 PolarHBondContact OD1-N 2.87Å; D240-R243 PolarHBondContact OD1-N 3.2Å; D240-R243 IonicContact OD2-CZ 2.75Å; D240-R243 IonicContact OD2-NE 3.17Å; D240-R243 PolarHBondContact OD2-NE 3.03Å; D240-R243 IonicContact OD2-NH2 3.32Å; D240-R243 PolarHBondContact OD2-NH2 2.88Å
241K62.2Low73.3Confident148 Ų14867.9 Ų67.964%0.64336%0.356SS*.SBendtrans5725.4-176.4-55.5-173.9180-175.60114.2C229 L237 A238 P239C229-K241 PolarHBondContact SG-O 2.83Å; L237-K241 HydrophobicContact CD2-CB 4.09Å; A238-K241 WeakPolarHBondContact O-CA 3.23Å; A238-K241 PolarHBondContact O-N 3.25Å; P239-K241 PolarHBondContact O-N 3.2Å
242R65.6Low73.2Confident105 Ų10576.1 Ų76.140%0.39638%0.384SS..SBendtrans-132.4-48.5-168.7-81.1166.7170.4-145.8-11.4112.8Y215 Q217 D240Y215-R242 VanDerWaalsContact CB-CZ 3.48Å; Y215-R242 VanDerWaalsContact O-CB 3.25Å; Y215-R242 WeakPolarHBondContact O-CB 3.4Å; Q217-R242 PolarHBondContact N-O 3.28Å; D240-R242 HydrophobicContact CB-CB 4.47Å; D240-R242 WeakPolarHBondContact O-CG 3.12Å; D240-R242 PolarHBondContact O-N 3.26Å; D240-R242 WeakPolarHBondContact OD1-CA 3.17Å; D240-R242 WeakPolarHBondContact OD1-CB 3.46Å; D240-R242 PolarHBondContact OD1-N 2.87Å
243R69.9Low73.5Confident137 Ų13779 Ų7952%0.51740%0.397SS..  trans-84.7144.8178.4-76.1178.4-70.5172.5-0.1111.9Q217 A238 D240Q217-R243 VanDerWaalsContact OE1-CA 3.23Å; Q217-R243 VanDerWaalsContact OE1-CB 3.25Å; A238-R243 HydrophobicContact CB-CB 3.93Å; A238-R243 WeakPolarHBondContact CB-O 3.4Å; A238-R243 PolarHBondContact N-O 3.06Å; D240-R243 PolarHBondContact OD1-N 3.2Å; D240-R243 IonicContact OD2-CZ 2.75Å; D240-R243 IonicContact OD2-NE 3.17Å; D240-R243 PolarHBondContact OD2-NE 3.03Å; D240-R243 IonicContact OD2-NH2 3.32Å; D240-R243 PolarHBondContact OD2-NH2 2.88Å
244C74.5Confident73.7Confident5 Ų579.7 Ų79.73%0.03438%0.383CS..EExtended strand (participates in β ladder)trans-97.4105.2168-67.90000107.2Q217 N218 C231 Y235 F236Q217-C244 PolarHBondContact NE2-O 3.18Å; Q217-C244 PolarHBondContact OE1-O 2.03Å; N218-C244 PolarHBondContact ND2-SG 2.04Å; C231-C244 WeakPolarHBondContact CA-SG 3.43Å; C231-C244 HydrophobicContact CB-CB 3.85Å; C231-C244 WeakPolarHBondContact CB-SG 3.24Å; C231-C244 WeakPolarHBondContact SG-CA 3.25Å; C231-C244 WeakPolarHBondContact SG-CB 3.23Å; C231-C244 CovalentContact SG-SG 2.05Å; C231-C244 PolarHBondContact SG-SG 3.06Å; Y235-C244 HydrophobicContact CD1-CB 4.31Å; Y235-C244 HydrophobicContact CG-CB 4.49Å; F236-C244 CarbonylContact O-C 3.51Å; F236-C244 WeakPolarHBondContact O-CA 3.24Å
245L73.5Confident73.4Confident73 Ų7379.6 Ų79.638%0.38238%0.382SS..EExtended strand (participates in β ladder)trans-86.2142.3172.5-71.7170.6000108.7Y235 F236 A238 I247Y235-L245 CarbonylContact C-O 3.57Å; Y235-L245 VanDerWaalsContact CA-O 3.29Å; Y235-L245 WeakPolarHBondContact CA-O 3.35Å; F236-L245 HydrophobicContact CD1-CB 3.99Å; F236-L245 WeakPolarHBondContact CD1-O 3.27Å; F236-L245 HydrophobicContact CE1-CB 3.5Å; F236-L245 HydrophobicContact CE1-CD1 4.45Å; F236-L245 HydrophobicContact CE2-CB 4.27Å; F236-L245 HydrophobicContact CE2-CD1 4.15Å; F236-L245 HydrophobicContact CZ-CB 3.67Å; F236-L245 HydrophobicContact CZ-CD1 3.77Å; F236-L245 HydrophobicContact CZ-CG 4.38Å; F236-L245 PolarHBondContact N-O 2.89Å; F236-L245 PolarHBondContact O-N 2.84Å; A238-L245 HydrophobicContact CB-CD1 3.62Å; A238-L245 HydrophobicContact CB-CG 3.9Å; L245-I247 PolarHBondContact O-N 3.48Å
246D78.7Confident73.1Confident43 Ų4378.3 Ų78.323%0.2339%0.388CS..EExtended strand (participates in β ladder)trans-56.9131.5172.3-157.238.1000109.2Y235 F236 D248 N263 P265 G266Y235-D246 HydrophobicContact CD1-CB 4.47Å; Y235-D246 HydrophobicContact CE1-CB 4.28Å; F236-D246 WeakPolarHBondContact CE1-O 3.49Å; D246-D248 PolarHBondContact O-N 2.78Å; D246-D248 VanDerWaalsContact O-N 3.11Å; D246-N263 PolarHBondContact OD2-ND2 3.38Å; D246-P265 VanDerWaalsContact OD1-CA 3.31Å; D246-P265 WeakPolarHBondContact OD1-CA 3Å; D246-G266 PolarHBondContact OD1-N 2.91Å
247I77.6Confident73.4Confident63 Ų6374 Ų7432%0.32337%0.369SS..  trans-76.999170.7-59.2171.1000105.9G234 F236 L245 E249 N263G234-I247 PolarHBondContact O-N 3.19Å; F236-I247 HydrophobicContact CB-CD1 4.38Å; F236-I247 HydrophobicContact CB-CG1 3.91Å; F236-I247 HydrophobicContact CD1-CG1 3.85Å; F236-I247 HydrophobicContact CG-CG1 4.37Å; L245-I247 PolarHBondContact O-N 3.48Å; I247-E249 HydrophobicContact CG2-CG 3.89Å; I247-E249 PolarHBondContact O-N 2.82Å; I247-E249 VanDerWaalsContact O-OE2 3.09Å; I247-N263 PolarHBondContact O-OD1 3.27Å
248D79.7Confident73.9Confident64 Ų6476.4 Ų76.434%0.34238%0.38SS..  trans-69.384.8170.5-174.3-16.1000109.1D246 C250 T251D246-D248 PolarHBondContact O-N 2.78Å; D246-D248 VanDerWaalsContact O-N 3.11Å; D248-C250 PolarHBondContact O-N 3.09Å; D248-C250 VanDerWaalsContact O-N 3.17Å; D248-C250 WeakPolarHBondContact OD1-CA 3.44Å; D248-C250 WeakPolarHBondContact OD1-CB 3.3Å; D248-C250 PolarHBondContact OD1-N 3.32Å; D248-C250 VanDerWaalsContact OD1-N 3.12Å; D248-T251 HydrophobicContact CB-CG2 3.86Å; D248-T251 WeakPolarHBondContact O-CB 3.16Å; D248-T251 PolarHBondContact O-N 2.95Å; D248-T251 PolarHBondContact O-OG1 2.03Å; D248-T251 PolarHBondContact OD1-N 3.41Å
249E82.9Confident74.5Confident42 Ų4279.9 Ų79.920%0.19639%0.393CS..G310 helixtrans-61.2-23.8-179.5-69.2104.3172.400111.4I247 T251 Y252 G255 G267 Y268I247-E249 HydrophobicContact CG2-CG 3.89Å; I247-E249 PolarHBondContact O-N 2.82Å; I247-E249 VanDerWaalsContact O-OE2 3.09Å; E249-T251 PolarHBondContact O-N 2.99Å; E249-Y252 PolarHBondContact O-N 3.44Å; E249-Y252 VanDerWaalsContact O-N 3.14Å; E249-G255 WeakPolarHBondContact O-CA 3.25Å; E249-G255 PolarHBondContact O-N 3.16Å; E249-G267 VanDerWaalsContact OE2-CA 3.24Å; E249-G267 WeakPolarHBondContact OE2-CA 3.41Å; E249-Y268 HydrophobicContact CB-CD1 3.5Å; E249-Y268 HydrophobicContact CB-CE1 4.09Å; E249-Y268 HydrophobicContact CB-CG 3.89Å; E249-Y268 HydrophobicContact CG-CD1 3.65Å; E249-Y268 HydrophobicContact CG-CE1 4.1Å; E249-Y268 HydrophobicContact CG-CG 4.49Å; E249-Y268 VanDerWaalsContact OE2-CD1 3.26Å; E249-Y268 WeakPolarHBondContact OE2-CD1 3.06Å; E249-Y268 PolarHBondContact OE2-N 3.03Å; E249-Y268 VanDerWaalsContact OE2-N 3.1Å
250C84.5Confident75Confident28 Ų2879.2 Ų79.219%0.18938%0.378CS..G310 helixtrans-65.5-18.6175.6-52.10000113.2D248 Y252 R254 C261 N263D248-C250 PolarHBondContact O-N 3.09Å; D248-C250 VanDerWaalsContact O-N 3.17Å; D248-C250 WeakPolarHBondContact OD1-CA 3.44Å; D248-C250 WeakPolarHBondContact OD1-CB 3.3Å; D248-C250 PolarHBondContact OD1-N 3.32Å; D248-C250 VanDerWaalsContact OD1-N 3.12Å; C250-Y252 VanDerWaalsContact C-N 3.27Å; C250-Y252 PolarHBondContact O-N 3.43Å; C250-R254 WeakPolarHBondContact O-CA 3.25Å; C250-C261 WeakPolarHBondContact CA-SG 3.45Å; C250-C261 HydrophobicContact CB-CB 3.6Å; C250-C261 WeakPolarHBondContact CB-SG 3.47Å; C250-C261 WeakPolarHBondContact SG-CB 3.37Å; C250-C261 CovalentContact SG-SG 2.03Å; C250-C261 PolarHBondContact SG-SG 3.28Å; C250-N263 PolarHBondContact SG-N 3.48Å; C250-N263 VanDerWaalsContact SG-N 3.36Å
251T79.5Confident75.8Confident107 Ų10777.8 Ų77.866%0.65637%0.372SS*.G310 helixtrans-67.6-22.1173.161.60000114D248 E249D248-T251 HydrophobicContact CB-CG2 3.86Å; D248-T251 WeakPolarHBondContact O-CB 3.16Å; D248-T251 PolarHBondContact O-N 2.95Å; D248-T251 PolarHBondContact O-OG1 2.03Å; D248-T251 PolarHBondContact OD1-N 3.41Å; E249-T251 PolarHBondContact O-N 2.99Å
252Y67.9Low76.8Confident200 Ų20074.6 Ų74.678%0.78436%0.359SS*.THydrogen-bonded Turntrans-122111.2-176-141.7-89.9000111.3E249 C250 R254 G255E249-Y252 PolarHBondContact O-N 3.44Å; E249-Y252 VanDerWaalsContact O-N 3.14Å; C250-Y252 VanDerWaalsContact C-N 3.27Å; C250-Y252 PolarHBondContact O-N 3.43Å; Y252-R254 PolarHBondContact O-N 2.84Å; Y252-G255 PolarHBondContact O-N 3.46Å
253D70.6Confident77.5Confident113 Ų11372 Ų7260%0.60435%0.354SS*.G310 helixtrans46.432.9-173.4-154.132.7000114.4G255 G256D253-G255 VanDerWaalsContact C-N 3.26Å; D253-G255 PolarHBondContact O-N 2.85Å; D253-G256 WeakPolarHBondContact O-CA 3.21Å; D253-G256 PolarHBondContact O-N 3.09Å
254R70.5Confident77.8Confident137 Ų13768.4 Ų68.452%0.51734%0.344SS..G310 helixtrans55.334.2-173.1-52.2-176.6-177.4162.25113.4C250 Y252 G256 C257 Y259 C261C250-R254 WeakPolarHBondContact O-CA 3.25Å; Y252-R254 PolarHBondContact O-N 2.84Å; R254-G256 PolarHBondContact O-N 3.22Å; R254-C257 HydrophobicContact CB-CB 4.28Å; R254-C257 WeakPolarHBondContact O-CB 3.42Å; R254-C257 PolarHBondContact O-N 3.04Å; R254-C257 PolarHBondContact O-SG 3Å; R254-Y259 VanDerWaalsContact CD-O 3.23Å; R254-Y259 WeakPolarHBondContact CD-O 3.45Å; R254-Y259 PolarHBondContact NH1-O 3.43Å; R254-C261 HydrophobicContact CB-CB 4.01Å; R254-C261 VanDerWaalsContact O-CB 3.23Å; R254-C261 WeakPolarHBondContact O-CB 3.04Å; R254-C261 PolarHBondContact O-SG 2.78Å
255G65.1Low77.9Confident14 Ų1473.5 Ų73.514%0.14438%0.377CS..G310 helixtrans64.317.4-172.200000113.3E249 Y252 D253 C257 Y268E249-G255 WeakPolarHBondContact O-CA 3.25Å; E249-G255 PolarHBondContact O-N 3.16Å; Y252-G255 PolarHBondContact O-N 3.46Å; D253-G255 VanDerWaalsContact C-N 3.26Å; D253-G255 PolarHBondContact O-N 2.85Å; G255-C257 VanDerWaalsContact C-N 3.27Å; G255-Y268 WeakPolarHBondContact O-CE2 3.16Å; G255-Y268 VanDerWaalsContact O-CZ 3.26Å; G255-Y268 PolarHBondContact O-OH 2.98Å; G255-Y268 VanDerWaalsContact O-OH 3.12Å
256G74.3Confident77.7Confident34 Ų3471.6 Ų71.635%0.35138%0.375SS..G310 helixtrans83.6-10.6-167.400000114.4D253 R254 M258 I283D253-G256 WeakPolarHBondContact O-CA 3.21Å; D253-G256 PolarHBondContact O-N 3.09Å; R254-G256 PolarHBondContact O-N 3.22Å; G256-M258 PolarHBondContact O-N 3.1Å; G256-I283 VanDerWaalsContact O-CG2 3.23Å; G256-I283 WeakPolarHBondContact O-CG2 3.26Å
257C82.6Confident77.6Confident4 Ų470.3 Ų70.33%0.02737%0.372CS..  trans-60.4123.7-175.1-56.50000112.7R254 G255 Y259 F260 C261 C270R254-C257 HydrophobicContact CB-CB 4.28Å; R254-C257 WeakPolarHBondContact O-CB 3.42Å; R254-C257 PolarHBondContact O-N 3.04Å; R254-C257 PolarHBondContact O-SG 3Å; G255-C257 VanDerWaalsContact C-N 3.27Å; C257-Y259 VanDerWaalsContact C-N 3.27Å; C257-Y259 PolarHBondContact O-N 3.37Å; C257-F260 VanDerWaalsContact CB-O 3.27Å; C257-F260 WeakPolarHBondContact CB-O 3.4Å; C257-C261 HydrophobicContact CB-CB 3.95Å; C257-C270 WeakPolarHBondContact CA-SG 3.32Å; C257-C270 HydrophobicContact CB-CB 3.57Å; C257-C270 WeakPolarHBondContact CB-SG 3.48Å; C257-C270 WeakPolarHBondContact SG-CA 3.49Å; C257-C270 WeakPolarHBondContact SG-CB 3.23Å; C257-C270 CovalentContact SG-SG 2.02Å; C257-C270 PolarHBondContact SG-SG 3.45Å
258M82Confident77.9Confident100 Ų10071.7 Ų71.749%0.49337%0.374SS..SBendtrans-62.6-28.4-173.7-175.5173.2172.600114.2G256 I283 C285G256-M258 PolarHBondContact O-N 3.1Å; M258-I283 PolarHBondContact N-O 3.32Å; M258-C285 HydrophobicContact CB-CB 4.39Å; M258-C285 HydrophobicContact SD-CB 4.33Å; M258-C285 PolarHBondContact SD-N 2.75Å
259Y81.1Confident78.2Confident77 Ų7774.3 Ų74.330%0.30238%0.379SS..SBendtrans-125-84.2174.8-76.9-101.8000112.6R254 C257 P273 M276 C285R254-Y259 VanDerWaalsContact CD-O 3.23Å; R254-Y259 WeakPolarHBondContact CD-O 3.45Å; R254-Y259 PolarHBondContact NH1-O 3.43Å; C257-Y259 VanDerWaalsContact C-N 3.27Å; C257-Y259 PolarHBondContact O-N 3.37Å; Y259-P273 VanDerWaalsContact CD1-CD 3.5Å; Y259-P273 HydrophobicContact CD1-CG 3.29Å; Y259-P273 HydrophobicContact CE1-CG 3.67Å; Y259-P273 VanDerWaalsContact CG-CD 3.46Å; Y259-P273 HydrophobicContact CG-CG 3.85Å; Y259-M276 HydrophobicContact CE2-SD 3.67Å; Y259-M276 WeakPolarHBondContact OH-CE 3.46Å; Y259-M276 PolarHBondContact OH-SD 3.5Å; Y259-C285 HydrophobicContact CD2-CB 3.43Å; Y259-C285 VanDerWaalsContact CD2-CB 3.43Å; Y259-C285 HydrophobicContact CE2-CB 3.82Å; Y259-C285 HydrophobicContact CG-CB 4.44Å
260F82.8Confident78.3Confident112 Ų11272.9 Ų72.949%0.49137%0.373SS..EExtended strand (participates in β ladder)trans-103.6144.5-177.6-51.1-58.5000110.3C257 C270 A271 P273C257-F260 VanDerWaalsContact CB-O 3.27Å; C257-F260 WeakPolarHBondContact CB-O 3.4Å; F260-C270 CarbonylContact O-C 3.45Å; F260-C270 WeakPolarHBondContact O-CA 3.42Å; F260-A271 WeakPolarHBondContact CA-O 3.44Å; F260-A271 HydrophobicContact CB-CB 4.09Å; F260-A271 WeakPolarHBondContact CB-O 3.11Å; F260-A271 PolarHBondContact N-O 3.48Å; F260-A271 PolarHBondContact O-N 3.23Å; F260-P273 HydrophobicContact CE2-CB 4.49Å; F260-P273 HydrophobicContact CE2-CG 3.97Å; F260-P273 HydrophobicContact CZ-CG 4.25Å
261C87Confident78Confident28 Ų2872.9 Ų72.919%0.18938%0.375CS..EExtended strand (participates in β ladder)trans-122.6133.4169.7-178.20000107.4C250 R254 C257C250-C261 WeakPolarHBondContact CA-SG 3.45Å; C250-C261 HydrophobicContact CB-CB 3.6Å; C250-C261 WeakPolarHBondContact CB-SG 3.47Å; C250-C261 WeakPolarHBondContact SG-CB 3.37Å; C250-C261 CovalentContact SG-SG 2.03Å; C250-C261 PolarHBondContact SG-SG 3.28Å; R254-C261 HydrophobicContact CB-CB 4.01Å; R254-C261 VanDerWaalsContact O-CB 3.23Å; R254-C261 WeakPolarHBondContact O-CB 3.04Å; R254-C261 PolarHBondContact O-SG 2.78Å; C257-C261 HydrophobicContact CB-CB 3.95Å
262E83.2Confident77.8Confident80 Ų8069.1 Ų69.137%0.37435%0.353SS..EExtended strand (participates in β ladder)trans-119.8109.4176.7-61.3-178.8104.400107.6R269E262-R269 HydrophobicContact CB-CG 3.96Å; E262-R269 PolarHBondContact N-O 3.1Å; E262-R269 PolarHBondContact O-N 3.29Å; E262-R269 IonicContact OE1-NH2 2.7Å; E262-R269 PolarHBondContact OE1-NH2 2.75Å; E262-R269 IonicContact OE2-CZ 3.48Å; E262-R269 IonicContact OE2-NE 2.74Å; E262-R269 PolarHBondContact OE2-NE 2.86Å; E262-R269 IonicContact OE2-NH2 3.18Å; E262-R269 PolarHBondContact OE2-NH2 3.05Å
263N80.5Confident78.2Confident52 Ų5260.8 Ų60.828%0.27832%0.323SS..EExtended strand (participates in β ladder)trans-70.1143.3178.7-175.944.5000111D246 I247 C250D246-N263 PolarHBondContact OD2-ND2 3.38Å; I247-N263 PolarHBondContact O-OD1 3.27Å; C250-N263 PolarHBondContact SG-N 3.48Å; C250-N263 VanDerWaalsContact SG-N 3.36Å
264L75.8Confident77.6Confident61 Ų6161.9 Ų61.932%0.31934%0.34SS..EExtended strand (participates in β ladder)trans-137.1153.6-179.6-46.5166.4000110G266 G267 R269L264-G266 PolarHBondContact O-N 3.46Å; L264-G267 CarbonylContact C-O 3.51Å; L264-G267 WeakPolarHBondContact CA-O 3.05Å; L264-G267 WeakPolarHBondContact CB-O 3.01Å; L264-G267 PolarHBondContact N-O 3.32Å; L264-G267 CarbonylContact O-C 3.57Å; L264-G267 PolarHBondContact O-N 3.01Å; L264-R269 HydrophobicContact CD1-CB 4.25Å; L264-R269 HydrophobicContact CD1-CG 4.04Å; L264-R269 VanDerWaalsContact CD2-NH1 3.29Å
265P76.2Confident77.1Confident112 Ų11259.9 Ų59.973%0.72734%0.34SS*.THydrogen-bonded Turntrans-57.9101.5177.3-2736.6000113.1Y235 D246Y235-P265 WeakPolarHBondContact OH-CA 3.03Å; Y235-P265 WeakPolarHBondContact OH-CB 3.24Å; D246-P265 VanDerWaalsContact OD1-CA 3.31Å; D246-P265 WeakPolarHBondContact OD1-CA 3Å
266G69.1Low77.4Confident32 Ų3260.6 Ų60.633%0.3334%0.339SS..THydrogen-bonded Turntrans94.318.7-177.300000116.2Y235 D246 L264Y235-G266 PolarHBondContact OH-N 2.89Å; D246-G266 PolarHBondContact OD1-N 2.91Å; L264-G266 PolarHBondContact O-N 3.46Å
267G76.6Confident76.8Confident17 Ų1761.5 Ų61.518%0.17534%0.338CS..EExtended strand (participates in β ladder)trans152.4179.517000000113.4E249 L264E249-G267 VanDerWaalsContact OE2-CA 3.24Å; E249-G267 WeakPolarHBondContact OE2-CA 3.41Å; L264-G267 CarbonylContact C-O 3.51Å; L264-G267 WeakPolarHBondContact CA-O 3.05Å; L264-G267 WeakPolarHBondContact CB-O 3.01Å; L264-G267 PolarHBondContact N-O 3.32Å; L264-G267 CarbonylContact O-C 3.57Å; L264-G267 PolarHBondContact O-N 3.01Å
268Y85.1Confident76Confident91 Ų9164 Ų6436%0.35735%0.351SS..EExtended strand (participates in β ladder)trans-112.9167.3-174.868.2-72.9000113.7E249 G255E249-Y268 HydrophobicContact CB-CD1 3.5Å; E249-Y268 HydrophobicContact CB-CE1 4.09Å; E249-Y268 HydrophobicContact CB-CG 3.89Å; E249-Y268 HydrophobicContact CG-CD1 3.65Å; E249-Y268 HydrophobicContact CG-CE1 4.1Å; E249-Y268 HydrophobicContact CG-CG 4.49Å; E249-Y268 VanDerWaalsContact OE2-CD1 3.26Å; E249-Y268 WeakPolarHBondContact OE2-CD1 3.06Å; E249-Y268 PolarHBondContact OE2-N 3.03Å; E249-Y268 VanDerWaalsContact OE2-N 3.1Å; G255-Y268 WeakPolarHBondContact O-CE2 3.16Å; G255-Y268 VanDerWaalsContact O-CZ 3.26Å; G255-Y268 PolarHBondContact O-OH 2.98Å; G255-Y268 VanDerWaalsContact O-OH 3.12Å
269R84.4Confident75.2Confident120 Ų12060 Ų6045%0.45333%0.333SS..EExtended strand (participates in β ladder)trans-131.3148.8160.169.2178.3-173.9-109.7-8.6111.1E262 L264E262-R269 HydrophobicContact CB-CG 3.96Å; E262-R269 PolarHBondContact N-O 3.1Å; E262-R269 PolarHBondContact O-N 3.29Å; E262-R269 IonicContact OE1-NH2 2.7Å; E262-R269 PolarHBondContact OE1-NH2 2.75Å; E262-R269 IonicContact OE2-CZ 3.48Å; E262-R269 IonicContact OE2-NE 2.74Å; E262-R269 PolarHBondContact OE2-NE 2.86Å; E262-R269 IonicContact OE2-NH2 3.18Å; E262-R269 PolarHBondContact OE2-NH2 3.05Å; L264-R269 HydrophobicContact CD1-CB 4.25Å; L264-R269 HydrophobicContact CD1-CG 4.04Å; L264-R269 VanDerWaalsContact CD2-NH1 3.29Å
270C85.4Confident74.5Confident11 Ų1162.7 Ų62.77%0.07436%0.361CS..EExtended strand (participates in β ladder)trans-91.8147.1171.9-57.10000111.3C257 F260 L278 K282C257-C270 WeakPolarHBondContact CA-SG 3.32Å; C257-C270 HydrophobicContact CB-CB 3.57Å; C257-C270 WeakPolarHBondContact CB-SG 3.48Å; C257-C270 WeakPolarHBondContact SG-CA 3.49Å; C257-C270 WeakPolarHBondContact SG-CB 3.23Å; C257-C270 CovalentContact SG-SG 2.02Å; C257-C270 PolarHBondContact SG-SG 3.45Å; F260-C270 CarbonylContact O-C 3.45Å; F260-C270 WeakPolarHBondContact O-CA 3.42Å; C270-L278 HydrophobicContact CB-CD1 3.33Å; C270-L278 HydrophobicContact CB-CD2 4.04Å; C270-L278 HydrophobicContact CB-CG 4.31Å; C270-L278 WeakPolarHBondContact O-CD2 3.26Å; C270-K282 VanDerWaalsContact CB-O 3.31Å; C270-K282 WeakPolarHBondContact CB-O 3Å; C270-K282 PolarHBondContact SG-O 2.78Å
271A77.6Confident73.7Confident28 Ų2860.9 Ų60.923%0.23136%0.356CS..EExtended strand (participates in β ladder)trans-137.2161.6174.700000110.7F260F260-A271 WeakPolarHBondContact CA-O 3.44Å; F260-A271 HydrophobicContact CB-CB 4.09Å; F260-A271 WeakPolarHBondContact CB-O 3.11Å; F260-A271 PolarHBondContact N-O 3.48Å; F260-A271 PolarHBondContact O-N 3.23Å
272C76.1Confident72.9Confident28 Ų2867 Ų6719%0.18938%0.379CS..  trans-129.8157.5-170.5-56.20000111.8M276 L278 C285C272-M276 HydrophobicContact CB-CB 4.05Å; C272-M276 WeakPolarHBondContact CB-O 3.37Å; C272-L278 PolarHBondContact SG-N 2.03Å; C272-C285 VanDerWaalsContact CA-SG 3.59Å; C272-C285 HydrophobicContact CB-CB 3.8Å; C272-C285 WeakPolarHBondContact CB-SG 3.03Å; C272-C285 WeakPolarHBondContact SG-CB 3.42Å; C272-C285 CovalentContact SG-SG 2.03Å; C272-C285 PolarHBondContact SG-SG 2.02Å
273P76.1Confident72.6Confident25 Ų2566.2 Ų66.216%0.16238%0.377CS..  trans-55.8160.2170-28.337.3000112.8Y259 F260 D275 M276Y259-P273 VanDerWaalsContact CD1-CD 3.5Å; Y259-P273 HydrophobicContact CD1-CG 3.29Å; Y259-P273 HydrophobicContact CE1-CG 3.67Å; Y259-P273 VanDerWaalsContact CG-CD 3.46Å; Y259-P273 HydrophobicContact CG-CG 3.85Å; F260-P273 HydrophobicContact CE2-CB 4.49Å; F260-P273 HydrophobicContact CE2-CG 3.97Å; F260-P273 HydrophobicContact CZ-CG 4.25Å; P273-D275 WeakPolarHBondContact CB-OD1 3.3Å; P273-D275 PolarHBondContact O-N 3.45Å; P273-M276 CarbonylContact O-C 3.52Å; P273-M276 PolarHBondContact O-N 2.91Å
274S58.6Low72.5Confident137 Ų13765.8 Ų65.896%0.95838%0.378SS*.THydrogen-bonded Turntrans-64.3-11.4-177.1410000115.2
275D59Low72.4Confident95 Ų9562.9 Ų62.951%0.50836%0.363SS..THydrogen-bonded Turntrans-99.86.2172.263-43.8000113.9P273 F288P273-D275 WeakPolarHBondContact CB-OD1 3.3Å; P273-D275 PolarHBondContact O-N 3.45Å; D275-F288 VanDerWaalsContact O-CB 3.22Å; D275-F288 WeakPolarHBondContact O-CB 3.3Å; D275-F288 PolarHBondContact O-N 2.04Å
276M72.4Confident71.8Confident28 Ų2861.3 Ų61.314%0.13835%0.348CS..EExtended strand (participates in β ladder)trans-140.9157.7-177-53.5-145.6178.500112.2Y259 C272 P273 C285 I286 P287 Y310Y259-M276 HydrophobicContact CE2-SD 3.67Å; Y259-M276 WeakPolarHBondContact OH-CE 3.46Å; Y259-M276 PolarHBondContact OH-SD 3.5Å; C272-M276 HydrophobicContact CB-CB 4.05Å; C272-M276 WeakPolarHBondContact CB-O 3.37Å; P273-M276 CarbonylContact O-C 3.52Å; P273-M276 PolarHBondContact O-N 2.91Å; M276-C285 HydrophobicContact CB-CB 4.19Å; M276-C285 HydrophobicContact SD-CB 4.49Å; M276-I286 VanDerWaalsContact CA-O 3.29Å; M276-I286 WeakPolarHBondContact CA-O 3.31Å; M276-I286 WeakPolarHBondContact CB-O 3.03Å; M276-P287 HydrophobicContact CE-CB 4.25Å; M276-P287 HydrophobicContact CE-CG 4.05Å; M276-P287 HydrophobicContact SD-CB 4.48Å; M276-P287 HydrophobicContact SD-CG 4.2Å; M276-Y310 VanDerWaalsContact C-OH 3.22Å; M276-Y310 WeakPolarHBondContact CA-OH 3.32Å
277V61Low71.2Confident54 Ų5462.8 Ų62.833%0.32735%0.351SS..EExtended strand (participates in β ladder)trans-139166.6162.9-52.40000113.3C285 I286 Y310V277-C285 CarbonylContact O-C 3.36Å; V277-C285 VanDerWaalsContact O-CA 3.32Å; V277-C285 WeakPolarHBondContact O-CA 3.42Å; V277-I286 PolarHBondContact N-O 2.85Å; V277-I286 VanDerWaalsContact N-O 3.09Å; V277-I286 WeakPolarHBondContact O-CG1 3.42Å; V277-I286 PolarHBondContact O-N 3.46Å; V277-Y310 HydrophobicContact CB-CD2 3.94Å; V277-Y310 HydrophobicContact CB-CE2 3.65Å; V277-Y310 HydrophobicContact CG1-CD2 3.69Å; V277-Y310 HydrophobicContact CG1-CE2 3.26Å; V277-Y310 HydrophobicContact CG2-CD1 3.78Å; V277-Y310 HydrophobicContact CG2-CD2 3.12Å; V277-Y310 HydrophobicContact CG2-CE1 3.84Å; V277-Y310 HydrophobicContact CG2-CE2 3.26Å; V277-Y310 HydrophobicContact CG2-CG 3.41Å; V277-Y310 VanDerWaalsContact CG2-CG 3.41Å; V277-Y310 PolarHBondContact N-OH 3.26Å
278L67.1Low69.8Low56 Ų5667.2 Ų67.229%0.29337%0.366SS..EExtended strand (participates in β ladder)trans-66.1126-179.4-152.369.9000112C270 C272 K282 S284C270-L278 HydrophobicContact CB-CD1 3.33Å; C270-L278 HydrophobicContact CB-CD2 4.04Å; C270-L278 HydrophobicContact CB-CG 4.31Å; C270-L278 WeakPolarHBondContact O-CD2 3.26Å; C272-L278 PolarHBondContact SG-N 2.03Å; L278-K282 HydrophobicContact CD2-CB 4Å; L278-K282 WeakPolarHBondContact CD2-O 3.02Å; L278-S284 CarbonylContact C-O 3.55Å; L278-S284 WeakPolarHBondContact CA-O 3.35Å
279A65.2Low68.5Low15 Ų1569.3 Ų69.312%0.12438%0.377CS..  trans-73.7173.1178.200000111.5D281 K282 S284 I286A279-D281 WeakPolarHBondContact CB-OD1 3.34Å; A279-D281 PolarHBondContact O-N 3.37Å; A279-D281 VanDerWaalsContact O-N 3.07Å; A279-K282 PolarHBondContact O-N 3.38Å; A279-S284 WeakPolarHBondContact CB-O 3.42Å; A279-S284 PolarHBondContact N-O 3.46Å; A279-I286 HydrophobicContact CB-CG1 4.42Å; A279-I286 HydrophobicContact CB-CG2 4.34Å
280P66.2Low67Low135 Ų13564.9 Ų64.988%0.87736%0.362SS*.THydrogen-bonded Turntrans-61.9-17.3-176.2-25.736.3000115.3K282P280-K282 PolarHBondContact O-N 3.06Å
281D65Low65.7Low73 Ų7366 Ų6639%0.3937%0.369SS..THydrogen-bonded Turntrans-71.1-13.7172.861.14.4000113.5A279 I283 S284A279-D281 WeakPolarHBondContact CB-OD1 3.34Å; A279-D281 PolarHBondContact O-N 3.37Å; A279-D281 VanDerWaalsContact O-N 3.07Å; D281-I283 HydrophobicContact CB-CB 4.34Å; D281-I283 WeakPolarHBondContact O-CG1 3.28Å; D281-I283 PolarHBondContact O-N 3.01Å; D281-I283 PolarHBondContact OD1-N 2.97Å; D281-S284 PolarHBondContact OD1-N 2.98Å; D281-S284 WeakPolarHBondContact OD2-CB 3.1Å; D281-S284 PolarHBondContact OD2-N 3.17Å; D281-S284 PolarHBondContact OD2-OG 3.36Å
282K70Confident65.3Low157 Ų15765.7 Ų65.768%0.68337%0.366SS*.SBendtrans61.820.7-169.7-54.8179.4-179.4176.30114.5C270 L278 A279 P280C270-K282 VanDerWaalsContact CB-O 3.31Å; C270-K282 WeakPolarHBondContact CB-O 3Å; C270-K282 PolarHBondContact SG-O 2.78Å; L278-K282 HydrophobicContact CD2-CB 4Å; L278-K282 WeakPolarHBondContact CD2-O 3.02Å; A279-K282 PolarHBondContact O-N 3.38Å; P280-K282 PolarHBondContact O-N 3.06Å
283I77.8Confident64.6Low64 Ų6471 Ų7133%0.32839%0.388SS..SBendtrans-130-51.2-168.7-70.9171.5000110.7G256 M258 D281G256-I283 VanDerWaalsContact O-CG2 3.23Å; G256-I283 WeakPolarHBondContact O-CG2 3.26Å; M258-I283 PolarHBondContact N-O 3.32Å; D281-I283 HydrophobicContact CB-CB 4.34Å; D281-I283 WeakPolarHBondContact O-CG1 3.28Å; D281-I283 PolarHBondContact O-N 3.01Å; D281-I283 PolarHBondContact OD1-N 2.97Å
284S78.4Confident63.7Low42 Ų4275.2 Ų75.229%0.29441%0.405SS..  trans-80.3145.3-178.8-55.90000111.5L278 A279 D281L278-S284 CarbonylContact C-O 3.55Å; L278-S284 WeakPolarHBondContact CA-O 3.35Å; A279-S284 WeakPolarHBondContact CB-O 3.42Å; A279-S284 PolarHBondContact N-O 3.46Å; D281-S284 PolarHBondContact OD1-N 2.98Å; D281-S284 WeakPolarHBondContact OD2-CB 3.1Å; D281-S284 PolarHBondContact OD2-N 3.17Å; D281-S284 PolarHBondContact OD2-OG 3.36Å
285C73.2Confident63.6Low1 Ų173.1 Ų73.11%0.00739%0.388CS..EExtended strand (participates in β ladder)trans-107.3115.4168.5-63.80000109.6M258 Y259 C272 M276 V277M258-C285 HydrophobicContact CB-CB 4.39Å; M258-C285 HydrophobicContact SD-CB 4.33Å; M258-C285 PolarHBondContact SD-N 2.75Å; Y259-C285 HydrophobicContact CD2-CB 3.43Å; Y259-C285 VanDerWaalsContact CD2-CB 3.43Å; Y259-C285 HydrophobicContact CE2-CB 3.82Å; Y259-C285 HydrophobicContact CG-CB 4.44Å; C272-C285 VanDerWaalsContact CA-SG 3.59Å; C272-C285 HydrophobicContact CB-CB 3.8Å; C272-C285 WeakPolarHBondContact CB-SG 3.03Å; C272-C285 WeakPolarHBondContact SG-CB 3.42Å; C272-C285 CovalentContact SG-SG 2.03Å; C272-C285 PolarHBondContact SG-SG 2.02Å; M276-C285 HydrophobicContact CB-CB 4.19Å; M276-C285 HydrophobicContact SD-CB 4.49Å; V277-C285 CarbonylContact O-C 3.36Å; V277-C285 VanDerWaalsContact O-CA 3.32Å; V277-C285 WeakPolarHBondContact O-CA 3.42Å
286I63.9Low63.3Low78 Ų7873 Ų7340%0.439%0.393SS..EExtended strand (participates in β ladder)trans-91.4142175.847.6169000110.3M276 V277 A279 Y310M276-I286 VanDerWaalsContact CA-O 3.29Å; M276-I286 WeakPolarHBondContact CA-O 3.31Å; M276-I286 WeakPolarHBondContact CB-O 3.03Å; V277-I286 PolarHBondContact N-O 2.85Å; V277-I286 VanDerWaalsContact N-O 3.09Å; V277-I286 WeakPolarHBondContact O-CG1 3.42Å; V277-I286 PolarHBondContact O-N 3.46Å; A279-I286 HydrophobicContact CB-CG1 4.42Å; A279-I286 HydrophobicContact CB-CG2 4.34Å; I286-Y310 HydrophobicContact CD1-CD1 3.73Å; I286-Y310 HydrophobicContact CD1-CE1 3.84Å; I286-Y310 HydrophobicContact CG1-CD1 4.13Å; I286-Y310 HydrophobicContact CG1-CE1 3.76Å; I286-Y310 PolarHBondContact O-OH 3.25Å
287P56.9Low63Low63 Ų6374.2 Ų74.241%0.40940%0.4SS..EExtended strand (participates in β ladder)trans-63.6151.2176.6-20.831.8000113M276 F289M276-P287 HydrophobicContact CE-CB 4.25Å; M276-P287 HydrophobicContact CE-CG 4.05Å; M276-P287 HydrophobicContact SD-CB 4.48Å; M276-P287 HydrophobicContact SD-CG 4.2Å; P287-F289 HydrophobicContact CB-CD2 4.21Å; P287-F289 HydrophobicContact CB-CE2 4.23Å; P287-F289 PolarHBondContact O-N 2.86Å
288F47.7Very low63.1Low111 Ų11172.1 Ų72.149%0.48739%0.389SS..  trans-75.677.4176.6-174.1-109.9000111D275 N290 Y310D275-F288 VanDerWaalsContact O-CB 3.22Å; D275-F288 WeakPolarHBondContact O-CB 3.3Å; D275-F288 PolarHBondContact O-N 2.04Å; F288-N290 PolarHBondContact O-N 3.2Å; F288-Y310 WeakPolarHBondContact CA-OH 3.44Å; F288-Y310 HydrophobicContact CB-CE2 4.31Å; F288-Y310 VanDerWaalsContact CB-OH 3.27Å; F288-Y310 WeakPolarHBondContact CB-OH 3.04Å; F288-Y310 HydrophobicContact CD2-CD2 4.06Å; F288-Y310 HydrophobicContact CD2-CE1 4.48Å; F288-Y310 AromaticContact CD2-CE2 3.47Å; F288-Y310 HydrophobicContact CD2-CE2 3.47Å; F288-Y310 VanDerWaalsContact CD2-CE2 3.47Å; F288-Y310 AromaticContact CD2-CZ 3.75Å; F288-Y310 HydrophobicContact CE2-CD2 4.5Å; F288-Y310 HydrophobicContact CE2-CE2 4.29Å; F288-Y310 HydrophobicContact CG-CE2 4.34Å; F288-Y310 PolarHBondContact N-OH 3.39Å
289F56Low63.3Low134 Ų13473.8 Ų73.859%0.58840%0.398SS*.  trans-73.1116.6156.1-80.7-90.4000108.3P287 P291P287-F289 HydrophobicContact CB-CD2 4.21Å; P287-F289 HydrophobicContact CB-CE2 4.23Å; P287-F289 PolarHBondContact O-N 2.86Å; F289-P291 WeakPolarHBondContact O-CD 2.92Å; F289-P291 VanDerWaalsContact O-N 3.12Å
290N54.4Low64Low27 Ų2773.5 Ų73.514%0.14440%0.395CS..  trans-60.4112.5158.3-178-10.6000107.2F288 C292 E293 S306F288-N290 PolarHBondContact O-N 3.2Å; N290-C292 PolarHBondContact O-N 3.46Å; N290-C292 VanDerWaalsContact O-N 3.12Å; N290-C292 PolarHBondContact OD1-N 3.08Å; N290-E293 HydrophobicContact CB-CB 4.31Å; N290-E293 HydrophobicContact CB-CG 4.37Å; N290-E293 VanDerWaalsContact CB-OE2 3.24Å; N290-E293 WeakPolarHBondContact CB-OE2 3.28Å; N290-E293 WeakPolarHBondContact ND2-CG 3.45Å; N290-E293 PolarHBondContact ND2-OE2 3.07Å; N290-E293 PolarHBondContact O-N 2.02Å; N290-S306 WeakPolarHBondContact OD1-CB 3.44Å
291P56.7Low64.6Low34 Ų3472 Ų7222%0.22138%0.376CS..THydrogen-bonded Turntrans-61.9-29.4-171.4-2538000111.9F289 G298 Y312F289-P291 WeakPolarHBondContact O-CD 2.92Å; F289-P291 VanDerWaalsContact O-N 3.12Å; P291-G298 WeakPolarHBondContact O-CA 3.12Å; P291-G298 PolarHBondContact O-N 3.11Å; P291-Y312 HydrophobicContact CB-CD1 3.57Å; P291-Y312 HydrophobicContact CB-CD2 4.31Å; P291-Y312 HydrophobicContact CB-CE1 4.03Å; P291-Y312 HydrophobicContact CB-CG 3.72Å; P291-Y312 HydrophobicContact CG-CD1 3.47Å; P291-Y312 VanDerWaalsContact CG-CD1 3.47Å; P291-Y312 HydrophobicContact CG-CE1 4.14Å; P291-Y312 HydrophobicContact CG-CG 3.93Å
292C70.6Confident65.5Low23 Ų2370.4 Ų70.416%0.15537%0.366CS..THydrogen-bonded Turntrans-80.8-25.8-172.7-530000114.3N290 C304N290-C292 PolarHBondContact O-N 3.46Å; N290-C292 VanDerWaalsContact O-N 3.12Å; N290-C292 PolarHBondContact OD1-N 3.08Å; C292-C304 WeakPolarHBondContact CA-SG 3.26Å; C292-C304 HydrophobicContact CB-CB 3.51Å; C292-C304 WeakPolarHBondContact CB-SG 3.23Å; C292-C304 WeakPolarHBondContact SG-CB 3.36Å; C292-C304 PolarHBondContact SG-O 2.98Å; C292-C304 VanDerWaalsContact SG-O 3.41Å; C292-C304 CovalentContact SG-SG 2.04Å; C292-C304 PolarHBondContact SG-SG 2.91Å
293E60.9Low65.9Low138 Ų13866.2 Ų66.265%0.64535%0.351SS*.THydrogen-bonded Turntrans-86.2-16.1-170.1-78.6179.1126.200114.8N290N290-E293 HydrophobicContact CB-CB 4.31Å; N290-E293 HydrophobicContact CB-CG 4.37Å; N290-E293 VanDerWaalsContact CB-OE2 3.24Å; N290-E293 WeakPolarHBondContact CB-OE2 3.28Å; N290-E293 WeakPolarHBondContact ND2-CG 3.45Å; N290-E293 PolarHBondContact ND2-OE2 3.07Å; N290-E293 PolarHBondContact O-N 2.02Å
294H56.5Low66.1Low114 Ų11464 Ų6453%0.52834%0.341SS..SBendtrans-106.4145.7177.7-73.967.1000110.9N297H294-N297 PolarHBondContact O-N 3.07Å; H294-N297 VanDerWaalsContact O-N 3.09Å
295P56.1Low66Low93 Ų9364.7 Ų64.760%0.60434%0.343SS*.THydrogen-bonded Turntrans-65.2131.4179.327.1-32.9000109.9
296P54.1Low65.8Low93 Ų9367.7 Ų67.760%0.60436%0.364SS*.THydrogen-bonded Turncis-111.48113.438.6-28000113.9G298 D299P296-G298 PolarHBondContact O-N 3.31Å; P296-D299 VanDerWaalsContact O-CA 3.29Å; P296-D299 WeakPolarHBondContact O-CA 3.44Å; P296-D299 PolarHBondContact O-N 3.37Å
297N66Low65.3Low54 Ų5467.2 Ų67.229%0.28936%0.362SS..G310 helixtrans55.843.4164.8-173.245.8000113.6H294 D299 C300 C304H294-N297 PolarHBondContact O-N 3.07Å; H294-N297 VanDerWaalsContact O-N 3.09Å; N297-D299 PolarHBondContact O-N 2.99Å; N297-C300 PolarHBondContact ND2-O 3.17Å; N297-C300 WeakPolarHBondContact O-CA 3.29Å; N297-C300 WeakPolarHBondContact O-CB 3.36Å; N297-C300 PolarHBondContact O-N 2.8Å; N297-C300 PolarHBondContact O-SG 3.3Å; N297-C304 WeakPolarHBondContact O-CB 3.33Å; N297-C304 VanDerWaalsContact OD1-CB 3.24Å; N297-C304 WeakPolarHBondContact OD1-CB 3.46Å
298G62.4Low65.2Low9 Ų969.7 Ų69.79%0.09338%0.378CS..G310 helixtrans66.513.8-174.900000114.9P291 P296 C300 Y312P291-G298 WeakPolarHBondContact O-CA 3.12Å; P291-G298 PolarHBondContact O-N 3.11Å; P296-G298 PolarHBondContact O-N 3.31Å; G298-C300 PolarHBondContact O-N 2.03Å; G298-Y312 WeakPolarHBondContact O-CE2 3Å; G298-Y312 PolarHBondContact O-OH 3.39Å
299D71.3Confident65.2Low92 Ų9266.5 Ų66.549%0.49238%0.376SS..G310 helixtrans63.720.4-165.6-164.431.1000112.2P296 N297 K327P296-D299 VanDerWaalsContact O-CA 3.29Å; P296-D299 WeakPolarHBondContact O-CA 3.44Å; P296-D299 PolarHBondContact O-N 3.37Å; N297-D299 PolarHBondContact O-N 2.99Å; D299-K327 HydrophobicContact CB-CD 3.94Å; D299-K327 VanDerWaalsContact O-CB 3.23Å; D299-K327 WeakPolarHBondContact O-CB 3.37Å; D299-K327 WeakPolarHBondContact O-CG 3.48Å; D299-K327 VanDerWaalsContact OD2-CD 3.32Å; D299-K327 WeakPolarHBondContact OD2-CD 3Å; D299-K327 WeakPolarHBondContact OD2-CE 3.37Å; D299-K327 IonicContact OD2-NZ 3.1Å; D299-K327 PolarHBondContact OD2-NZ 3.49Å
300C81.2Confident65Low8 Ų862.5 Ų62.55%0.05436%0.358CS..  trans-85.2133.6171.8-51.10000111.4N297 G298 C304 C314 K327N297-C300 PolarHBondContact ND2-O 3.17Å; N297-C300 WeakPolarHBondContact O-CA 3.29Å; N297-C300 WeakPolarHBondContact O-CB 3.36Å; N297-C300 PolarHBondContact O-N 2.8Å; N297-C300 PolarHBondContact O-SG 3.3Å; G298-C300 PolarHBondContact O-N 2.03Å; C300-C304 HydrophobicContact CB-CB 4.06Å; C300-C304 VanDerWaalsContact SG-CB 3.5Å; C300-C304 VanDerWaalsContact SG-SG 3.67Å; C300-C314 VanDerWaalsContact CA-SG 3.5Å; C300-C314 HydrophobicContact CB-CB 3.55Å; C300-C314 WeakPolarHBondContact CB-SG 3.46Å; C300-C314 WeakPolarHBondContact SG-CA 3.49Å; C300-C314 WeakPolarHBondContact SG-CB 3.42Å; C300-C314 CovalentContact SG-SG 2.02Å; C300-C314 PolarHBondContact SG-SG 2.89Å; C300-K327 CarbonylContact C-O 3.49Å; C300-K327 WeakPolarHBondContact CA-O 3.43Å
301E78.3Confident65.1Low103 Ų10369.5 Ų69.548%0.48138%0.382SS..SBendtrans-74.7-27.8-177.3179.9164.9-161.600113.8K327 R328 C329E301-K327 PolarHBondContact N-O 2.97Å; E301-R328 WeakPolarHBondContact OE2-CA 3.39Å; E301-R328 WeakPolarHBondContact OE2-CB 3.5Å; E301-R328 VanDerWaalsContact OE2-CG 3.23Å; E301-R328 WeakPolarHBondContact OE2-CG 3.29Å; E301-C329 HydrophobicContact CB-CB 4.2Å; E301-C329 HydrophobicContact CG-CB 4.34Å; E301-C329 PolarHBondContact OE2-N 3.31Å
302H83Confident65.8Low41 Ų4171.7 Ų71.719%0.1939%0.386CS..SBendtrans-121.7-64.3-179.7-78.9172.2000115.4K317 Y320 C329H302-K317 HydrophobicContact CB-CG 4.27Å; H302-Y320 AromaticContact CE1-CD1 3.34Å; H302-Y320 WeakPolarHBondContact CE1-CD1 2.91Å; H302-Y320 AromaticContact CE1-CD2 3.64Å; H302-Y320 AromaticContact CE1-CE1 3.71Å; H302-Y320 AromaticContact CE1-CE2 4Å; H302-Y320 AromaticContact CE1-CG 3.36Å; H302-Y320 AromaticContact ND1-CG 3.83Å; H302-C329 HydrophobicContact CB-CB 4.13Å; H302-C329 VanDerWaalsContact CB-SG 3.59Å; H302-C329 WeakPolarHBondContact ND1-CB 3.21Å
303I79.3Confident66.1Low68 Ų6874.9 Ų74.935%0.34940%0.4SS..EExtended strand (participates in β ladder)trans-132.9133.5-174.6-54.1168.5000107.5C314 S315 K317I303-C314 CarbonylContact O-C 3.6Å; I303-C314 VanDerWaalsContact O-CA 3.27Å; I303-C314 WeakPolarHBondContact O-CA 3.45Å; I303-S315 WeakPolarHBondContact CB-O 3.33Å; I303-S315 WeakPolarHBondContact CB-OG 3.22Å; I303-S315 WeakPolarHBondContact CG2-OG 3.22Å; I303-S315 PolarHBondContact N-O 3.03Å; I303-S315 PolarHBondContact O-N 3.19Å; I303-K317 HydrophobicContact CD1-CG 4.24Å; I303-K317 HydrophobicContact CG1-CG 4.41Å
304C82Confident67.1Low18 Ų1868.6 Ų68.612%0.12237%0.372CS..EExtended strand (participates in β ladder)trans-112.8124.5169.7-175.50000108.7C292 N297 C300C292-C304 WeakPolarHBondContact CA-SG 3.26Å; C292-C304 HydrophobicContact CB-CB 3.51Å; C292-C304 WeakPolarHBondContact CB-SG 3.23Å; C292-C304 WeakPolarHBondContact SG-CB 3.36Å; C292-C304 PolarHBondContact SG-O 2.98Å; C292-C304 VanDerWaalsContact SG-O 3.41Å; C292-C304 CovalentContact SG-SG 2.04Å; C292-C304 PolarHBondContact SG-SG 2.91Å; N297-C304 WeakPolarHBondContact O-CB 3.33Å; N297-C304 VanDerWaalsContact OD1-CB 3.24Å; N297-C304 WeakPolarHBondContact OD1-CB 3.46Å; C300-C304 HydrophobicContact CB-CB 4.06Å; C300-C304 VanDerWaalsContact SG-CB 3.5Å; C300-C304 VanDerWaalsContact SG-SG 3.67Å
305T75.9Confident68.2Low56 Ų5664.9 Ų64.934%0.34436%0.358SS..EExtended strand (participates in β ladder)trans-115112.1177.6-46.60000109.1L307 Y312 M313T305-L307 PolarHBondContact O-N 3.01Å; T305-Y312 CarbonylContact O-C 3.56Å; T305-Y312 WeakPolarHBondContact O-CA 3.46Å; T305-M313 HydrophobicContact CG2-CE 4.38Å; T305-M313 PolarHBondContact N-O 2.82Å; T305-M313 PolarHBondContact O-N 2.7Å
306S67.7Low69.3Low64 Ų6461.8 Ų61.845%0.44834%0.338SS..EExtended strand (participates in β ladder)trans-67.5127175.750.70000111.1N290N290-S306 WeakPolarHBondContact OD1-CB 3.44Å
307L54.7Low70.2Confident69 Ų6962.7 Ų62.736%0.36133%0.333SS..  trans-109160.8174.8-68.9169.2000110.5T305 G309 R311 M313T305-L307 PolarHBondContact O-N 3.01Å; L307-G309 PolarHBondContact O-N 3.28Å; L307-R311 CarbonylContact C-O 3.53Å; L307-R311 WeakPolarHBondContact CA-O 3.42Å; L307-R311 HydrophobicContact CB-CB 3.85Å; L307-R311 WeakPolarHBondContact CB-O 3.43Å; L307-R311 HydrophobicContact CD1-CB 4.07Å; L307-R311 PolarHBondContact N-O 3.19Å; L307-R311 VanDerWaalsContact O-O 3.08Å; L307-M313 HydrophobicContact CD1-CB 4.21Å; L307-M313 HydrophobicContact CD1-CE 4.21Å; L307-M313 HydrophobicContact CD2-CE 3.96Å; L307-M313 HydrophobicContact CG-CE 4.29Å
308P54.6Low70Confident115 Ų11566.5 Ų66.575%0.74736%0.36SS*.SBendtrans-58.1131.3172.9-25.235.3000112.6
309G46.7Very low69.5Low43 Ų4367.9 Ų67.944%0.44338%0.375SS..SBendtrans7069.6174.400000114L307 R311L307-G309 PolarHBondContact O-N 3.28Å; G309-R311 PolarHBondContact O-N 3.22Å
310Y52.9Low69.6Low51 Ų5168.3 Ų68.320%0.237%0.37CS..SBendtrans63.2-6.3164.3-74-113.9000116.8M276 V277 I286 F288M276-Y310 VanDerWaalsContact C-OH 3.22Å; M276-Y310 WeakPolarHBondContact CA-OH 3.32Å; V277-Y310 HydrophobicContact CB-CD2 3.94Å; V277-Y310 HydrophobicContact CB-CE2 3.65Å; V277-Y310 HydrophobicContact CG1-CD2 3.69Å; V277-Y310 HydrophobicContact CG1-CE2 3.26Å; V277-Y310 HydrophobicContact CG2-CD1 3.78Å; V277-Y310 HydrophobicContact CG2-CD2 3.12Å; V277-Y310 HydrophobicContact CG2-CE1 3.84Å; V277-Y310 HydrophobicContact CG2-CE2 3.26Å; V277-Y310 HydrophobicContact CG2-CG 3.41Å; V277-Y310 VanDerWaalsContact CG2-CG 3.41Å; V277-Y310 PolarHBondContact N-OH 3.26Å; I286-Y310 HydrophobicContact CD1-CD1 3.73Å; I286-Y310 HydrophobicContact CD1-CE1 3.84Å; I286-Y310 HydrophobicContact CG1-CD1 4.13Å; I286-Y310 HydrophobicContact CG1-CE1 3.76Å; I286-Y310 PolarHBondContact O-OH 3.25Å; F288-Y310 WeakPolarHBondContact CA-OH 3.44Å; F288-Y310 HydrophobicContact CB-CE2 4.31Å; F288-Y310 VanDerWaalsContact CB-OH 3.27Å; F288-Y310 WeakPolarHBondContact CB-OH 3.04Å; F288-Y310 HydrophobicContact CD2-CD2 4.06Å; F288-Y310 HydrophobicContact CD2-CE1 4.48Å; F288-Y310 AromaticContact CD2-CE2 3.47Å; F288-Y310 HydrophobicContact CD2-CE2 3.47Å; F288-Y310 VanDerWaalsContact CD2-CE2 3.47Å; F288-Y310 AromaticContact CD2-CZ 3.75Å; F288-Y310 HydrophobicContact CE2-CD2 4.5Å; F288-Y310 HydrophobicContact CE2-CE2 4.29Å; F288-Y310 HydrophobicContact CG-CE2 4.34Å; F288-Y310 PolarHBondContact N-OH 3.39Å
311R57.1Low68.8Low174 Ų17469.6 Ų69.666%0.65738%0.375SS*.  trans-73132.7165.6-76.2165.4-88.5-164.1-7.9108.6L307 G309L307-R311 CarbonylContact C-O 3.53Å; L307-R311 WeakPolarHBondContact CA-O 3.42Å; L307-R311 HydrophobicContact CB-CB 3.85Å; L307-R311 WeakPolarHBondContact CB-O 3.43Å; L307-R311 HydrophobicContact CD1-CB 4.07Å; L307-R311 PolarHBondContact N-O 3.19Å; L307-R311 VanDerWaalsContact O-O 3.08Å; G309-R311 PolarHBondContact O-N 3.22Å
312Y71.4Confident68.3Low79 Ų7967.6 Ų67.631%0.3137%0.368SS..EExtended strand (participates in β ladder)trans-119.1146.3154.858.2-73000105.4P291 G298 T305 K327P291-Y312 HydrophobicContact CB-CD1 3.57Å; P291-Y312 HydrophobicContact CB-CD2 4.31Å; P291-Y312 HydrophobicContact CB-CE1 4.03Å; P291-Y312 HydrophobicContact CB-CG 3.72Å; P291-Y312 HydrophobicContact CG-CD1 3.47Å; P291-Y312 VanDerWaalsContact CG-CD1 3.47Å; P291-Y312 HydrophobicContact CG-CE1 4.14Å; P291-Y312 HydrophobicContact CG-CG 3.93Å; G298-Y312 WeakPolarHBondContact O-CE2 3Å; G298-Y312 PolarHBondContact O-OH 3.39Å; T305-Y312 CarbonylContact O-C 3.56Å; T305-Y312 WeakPolarHBondContact O-CA 3.46Å; Y312-K327 WeakPolarHBondContact OH-CE 3.17Å
313M75.9Confident67.7Low90 Ų9066.2 Ų66.244%0.44336%0.364SS..EExtended strand (participates in β ladder)trans-106.2124.7164.4105.2-177.882.600107.3T305 L307T305-M313 HydrophobicContact CG2-CE 4.38Å; T305-M313 PolarHBondContact N-O 2.82Å; T305-M313 PolarHBondContact O-N 2.7Å; L307-M313 HydrophobicContact CD1-CB 4.21Å; L307-M313 HydrophobicContact CD1-CE 4.21Å; L307-M313 HydrophobicContact CD2-CE 3.96Å; L307-M313 HydrophobicContact CG-CE 4.29Å
314C82.9Confident67Low7 Ų772.5 Ų72.55%0.04739%0.391CS..EExtended strand (participates in β ladder)trans-71.8141.8159.8-56.80000108.2C300 I303 L322 K326C300-C314 VanDerWaalsContact CA-SG 3.5Å; C300-C314 HydrophobicContact CB-CB 3.55Å; C300-C314 WeakPolarHBondContact CB-SG 3.46Å; C300-C314 WeakPolarHBondContact SG-CA 3.49Å; C300-C314 WeakPolarHBondContact SG-CB 3.42Å; C300-C314 CovalentContact SG-SG 2.02Å; C300-C314 PolarHBondContact SG-SG 2.89Å; I303-C314 CarbonylContact O-C 3.6Å; I303-C314 VanDerWaalsContact O-CA 3.27Å; I303-C314 WeakPolarHBondContact O-CA 3.45Å; C314-L322 HydrophobicContact CB-CD1 3.45Å; C314-L322 VanDerWaalsContact CB-CD1 3.45Å; C314-L322 HydrophobicContact CB-CD2 4.2Å; C314-L322 HydrophobicContact CB-CG 4.46Å; C314-L322 VanDerWaalsContact O-CD2 3.3Å; C314-L322 WeakPolarHBondContact O-CD2 3.33Å; C314-K326 WeakPolarHBondContact CB-O 3.01Å; C314-K326 PolarHBondContact SG-O 3.14Å
315S78.7Confident66.5Low36 Ų3675.7 Ų75.725%0.25241%0.407SS..EExtended strand (participates in β ladder)trans-139.6166.6173.158.60000109.7I303 C329I303-S315 WeakPolarHBondContact CB-O 3.33Å; I303-S315 WeakPolarHBondContact CB-OG 3.22Å; I303-S315 WeakPolarHBondContact CG2-OG 3.22Å; I303-S315 PolarHBondContact N-O 3.03Å; I303-S315 PolarHBondContact O-N 3.19Å; S315-C329 PolarHBondContact O-SG 2.92Å
316C79.2Confident66.2Low27 Ų2780.5 Ų80.518%0.18242%0.424CS..  trans-122.1145.3-167.5-580000111.7Y320 H321 L322 C329C316-Y320 WeakPolarHBondContact CB-O 3.29Å; C316-H321 PolarHBondContact SG-O 2.83Å; C316-H321 VanDerWaalsContact SG-O 3.39Å; C316-L322 VanDerWaalsContact SG-CA 3.55Å; C316-L322 PolarHBondContact SG-N 2.89Å; C316-L322 VanDerWaalsContact SG-N 3.37Å; C316-C329 WeakPolarHBondContact CA-SG 3.25Å; C316-C329 HydrophobicContact CB-CB 3.84Å; C316-C329 WeakPolarHBondContact CB-SG 3.38Å; C316-C329 VanDerWaalsContact SG-CA 3.57Å; C316-C329 WeakPolarHBondContact SG-CB 3.01Å; C316-C329 CovalentContact SG-SG 2.04Å; C316-C329 PolarHBondContact SG-SG 3.41Å
317K72.4Confident66.7Low113 Ų11380 Ų8049%0.49141%0.413SS..  trans-62.5147.8171.7-65.4168.6-175.2171.10109.5H302 I303 G319 Y320H302-K317 HydrophobicContact CB-CG 4.27Å; I303-K317 HydrophobicContact CD1-CG 4.24Å; I303-K317 HydrophobicContact CG1-CG 4.41Å; K317-G319 PolarHBondContact O-N 2.83Å; K317-Y320 WeakPolarHBondContact O-CB 3.5Å; K317-Y320 PolarHBondContact O-N 3.37Å; K317-Y320 VanDerWaalsContact O-N 3.12Å
318P62.1Low67.8Low133 Ų13384.1 Ų84.186%0.86442%0.424SS*.THydrogen-bonded Turntrans-51.9137-179.2-27.835.1000113
319G51.8Low68.9Low38 Ų3878.7 Ų78.739%0.39239%0.389SS..THydrogen-bonded Turntrans85.814.7-170.300000114K317 D332K317-G319 PolarHBondContact O-N 2.83Å; G319-D332 VanDerWaalsContact C-CB 3.46Å; G319-D332 WeakPolarHBondContact CA-OD2 3.01Å; G319-D332 PolarHBondContact N-OD2 3.28Å; G319-D332 VanDerWaalsContact O-CB 3.3Å; G319-D332 WeakPolarHBondContact O-CB 3.01Å; G319-D332 PolarHBondContact O-N 3.19Å
320Y72.8Confident69.6Low101 Ų10180.6 Ų80.640%0.39639%0.388SS..EExtended strand (participates in β ladder)trans-146.1146.6173.3-63-109.1000109.6H302 C316 K317 C329 L330 P331 D332H302-Y320 AromaticContact CE1-CD1 3.34Å; H302-Y320 WeakPolarHBondContact CE1-CD1 2.91Å; H302-Y320 AromaticContact CE1-CD2 3.64Å; H302-Y320 AromaticContact CE1-CE1 3.71Å; H302-Y320 AromaticContact CE1-CE2 4Å; H302-Y320 AromaticContact CE1-CG 3.36Å; H302-Y320 AromaticContact ND1-CG 3.83Å; C316-Y320 WeakPolarHBondContact CB-O 3.29Å; K317-Y320 WeakPolarHBondContact O-CB 3.5Å; K317-Y320 PolarHBondContact O-N 3.37Å; K317-Y320 VanDerWaalsContact O-N 3.12Å; Y320-C329 WeakPolarHBondContact CD1-O 2.96Å; Y320-L330 VanDerWaalsContact CA-O 3.32Å; Y320-L330 WeakPolarHBondContact CA-O 3.48Å; Y320-L330 WeakPolarHBondContact CB-O 3.05Å; Y320-L330 WeakPolarHBondContact CD1-O 3Å; Y320-P331 HydrophobicContact CD1-CB 4.07Å; Y320-P331 HydrophobicContact CE1-CB 3.81Å; Y320-D332 VanDerWaalsContact C-OD1 3.23Å; Y320-D332 WeakPolarHBondContact CA-OD1 3.42Å; Y320-D332 VanDerWaalsContact N-CG 3.27Å; Y320-D332 PolarHBondContact N-OD2 3.19Å
321H65.4Low69.8Low35 Ų3581.6 Ų81.616%0.16240%0.401CS..EExtended strand (participates in β ladder)trans-124.1161.617661.7-80.2000110.4C316 A323 C329 L330 P331 D332 Q336C316-H321 PolarHBondContact SG-O 2.83Å; C316-H321 VanDerWaalsContact SG-O 3.39Å; H321-A323 PolarHBondContact O-N 3.15Å; H321-C329 CarbonylContact O-C 3.54Å; H321-C329 VanDerWaalsContact O-CA 3.31Å; H321-C329 WeakPolarHBondContact O-CA 3.13Å; H321-L330 PolarHBondContact N-O 3.16Å; H321-L330 VanDerWaalsContact N-O 3.16Å; H321-L330 PolarHBondContact O-N 3.49Å; H321-L330 VanDerWaalsContact O-N 3.16Å; H321-P331 PolarHBondContact CE1-O 2.77Å; H321-P331 VanDerWaalsContact CE1-O 3.24Å; H321-D332 WeakPolarHBondContact CB-OD1 3.29Å; H321-D332 IonicContact CE1-OD1 3.75Å; H321-D332 IonicContact CG-OD1 3.54Å; H321-D332 PolarHBondContact N-OD1 2.93Å; H321-D332 VanDerWaalsContact N-OD1 3.14Å; H321-D332 IonicContact ND1-OD1 2.7Å; H321-D332 PolarHBondContact ND1-OD1 3.04Å; H321-Q336 PolarHBondContact CD2-OE1 3.3Å; H321-Q336 PolarHBondContact CE1-NE2 2.91Å; H321-Q336 VanDerWaalsContact NE2-CD 3.25Å; H321-Q336 PolarHBondContact NE2-NE2 3.38Å; H321-Q336 PolarHBondContact NE2-OE1 3.2Å; H321-Q336 VanDerWaalsContact NE2-OE1 3.17Å
322L68.1Low69.5Low61 Ų6175.2 Ų75.232%0.31938%0.38SS..EExtended strand (participates in β ladder)trans-79.8125.1-175.9-161.673.9000110.9C314 C316 K326 R328C314-L322 HydrophobicContact CB-CD1 3.45Å; C314-L322 VanDerWaalsContact CB-CD1 3.45Å; C314-L322 HydrophobicContact CB-CD2 4.2Å; C314-L322 HydrophobicContact CB-CG 4.46Å; C314-L322 VanDerWaalsContact O-CD2 3.3Å; C314-L322 WeakPolarHBondContact O-CD2 3.33Å; C316-L322 VanDerWaalsContact SG-CA 3.55Å; C316-L322 PolarHBondContact SG-N 2.89Å; C316-L322 VanDerWaalsContact SG-N 3.37Å; L322-K326 HydrophobicContact CD2-CB 4.04Å; L322-R328 WeakPolarHBondContact CD1-O 3.27Å
323A69.8Low68.7Low13 Ų1373.2 Ų73.211%0.10738%0.375CS..  trans-67.5164.2177.500000111.9H321 N325 K326 R328 L330H321-A323 PolarHBondContact O-N 3.15Å; A323-N325 PolarHBondContact O-N 3.48Å; A323-N325 VanDerWaalsContact O-N 3.1Å; A323-K326 WeakPolarHBondContact O-CA 3.1Å; A323-K326 PolarHBondContact O-N 2.92Å; A323-R328 HydrophobicContact CB-CB 3.7Å; A323-R328 WeakPolarHBondContact CB-O 3.02Å; A323-R328 PolarHBondContact N-O 3.2Å; A323-L330 HydrophobicContact CB-CD1 3.93Å; A323-L330 HydrophobicContact CB-CG 4Å
324E64.4Low67.9Low199 Ų19970.6 Ų70.693%0.9336%0.364SS*.THydrogen-bonded Turntrans-57.9-27.9-175.3-165.7172.7-126.800114.3K326E324-K326 PolarHBondContact O-N 3.24Å; E324-K326 VanDerWaalsContact O-N 3.09Å
325N72.3Confident67.2Low86 Ų8670.9 Ų70.946%0.4637%0.366SS..THydrogen-bonded Turntrans-71.13.6171.874.5-13.4000114.2A323 K327 R328A323-N325 PolarHBondContact O-N 3.48Å; A323-N325 VanDerWaalsContact O-N 3.1Å; N325-K327 WeakPolarHBondContact O-CB 3.38Å; N325-K327 WeakPolarHBondContact O-CG 3.25Å; N325-K327 PolarHBondContact O-N 3.48Å; N325-K327 PolarHBondContact OD1-N 3.05Å; N325-K327 VanDerWaalsContact OD1-N 3.11Å; N325-R328 PolarHBondContact OD1-N 2.98Å
326K68.5Low66.4Low157 Ų15774.1 Ų74.168%0.68338%0.377SS*.SBendtrans5330.6-176.6-59.7-174.7-179.1179.30114C314 L322 A323 E324C314-K326 WeakPolarHBondContact CB-O 3.01Å; C314-K326 PolarHBondContact SG-O 3.14Å; L322-K326 HydrophobicContact CD2-CB 4.04Å; A323-K326 WeakPolarHBondContact O-CA 3.1Å; A323-K326 PolarHBondContact O-N 2.92Å; E324-K326 PolarHBondContact O-N 3.24Å; E324-K326 VanDerWaalsContact O-N 3.09Å
327K78.9Confident65.3Low52 Ų5277.8 Ų77.823%0.22639%0.394CS..SBendtrans-142.9-54.8-166.7-86.8176168.9-165.50113.4D299 C300 E301 Y312 N325D299-K327 HydrophobicContact CB-CD 3.94Å; D299-K327 VanDerWaalsContact O-CB 3.23Å; D299-K327 WeakPolarHBondContact O-CB 3.37Å; D299-K327 WeakPolarHBondContact O-CG 3.48Å; D299-K327 VanDerWaalsContact OD2-CD 3.32Å; D299-K327 WeakPolarHBondContact OD2-CD 3Å; D299-K327 WeakPolarHBondContact OD2-CE 3.37Å; D299-K327 IonicContact OD2-NZ 3.1Å; D299-K327 PolarHBondContact OD2-NZ 3.49Å; C300-K327 CarbonylContact C-O 3.49Å; C300-K327 WeakPolarHBondContact CA-O 3.43Å; E301-K327 PolarHBondContact N-O 2.97Å; Y312-K327 WeakPolarHBondContact OH-CE 3.17Å; N325-K327 WeakPolarHBondContact O-CB 3.38Å; N325-K327 WeakPolarHBondContact O-CG 3.25Å; N325-K327 PolarHBondContact O-N 3.48Å; N325-K327 PolarHBondContact OD1-N 3.05Å; N325-K327 VanDerWaalsContact OD1-N 3.11Å
328R78Confident64.7Low157 Ų15779.1 Ų79.159%0.59241%0.407SS*.  trans-68.2151.6172.8-82.4-169.8166.3162.9-3.3111E301 L322 A323 N325E301-R328 WeakPolarHBondContact OE2-CA 3.39Å; E301-R328 WeakPolarHBondContact OE2-CB 3.5Å; E301-R328 VanDerWaalsContact OE2-CG 3.23Å; E301-R328 WeakPolarHBondContact OE2-CG 3.29Å; L322-R328 WeakPolarHBondContact CD1-O 3.27Å; A323-R328 HydrophobicContact CB-CB 3.7Å; A323-R328 WeakPolarHBondContact CB-O 3.02Å; A323-R328 PolarHBondContact N-O 3.2Å; N325-R328 PolarHBondContact OD1-N 2.98Å
329C76.5Confident65.1Low1 Ų174.8 Ų74.81%0.00738%0.376CS..EExtended strand (participates in β ladder)trans-118.391.4173.1-75.50000107E301 H302 S315 C316 Y320 H321E301-C329 HydrophobicContact CB-CB 4.2Å; E301-C329 HydrophobicContact CG-CB 4.34Å; E301-C329 PolarHBondContact OE2-N 3.31Å; H302-C329 HydrophobicContact CB-CB 4.13Å; H302-C329 VanDerWaalsContact CB-SG 3.59Å; H302-C329 WeakPolarHBondContact ND1-CB 3.21Å; S315-C329 PolarHBondContact O-SG 2.92Å; C316-C329 WeakPolarHBondContact CA-SG 3.25Å; C316-C329 HydrophobicContact CB-CB 3.84Å; C316-C329 WeakPolarHBondContact CB-SG 3.38Å; C316-C329 VanDerWaalsContact SG-CA 3.57Å; C316-C329 WeakPolarHBondContact SG-CB 3.01Å; C316-C329 CovalentContact SG-SG 2.04Å; C316-C329 PolarHBondContact SG-SG 3.41Å; Y320-C329 WeakPolarHBondContact CD1-O 2.96Å; H321-C329 CarbonylContact O-C 3.54Å; H321-C329 VanDerWaalsContact O-CA 3.31Å; H321-C329 WeakPolarHBondContact O-CA 3.13Å
330L61.7Low66Low82 Ų8273.5 Ų73.543%0.42936%0.363SS..EExtended strand (participates in β ladder)trans-64.7144.1173.4-66.2166.2000107.8Y320 H321 A323Y320-L330 VanDerWaalsContact CA-O 3.32Å; Y320-L330 WeakPolarHBondContact CA-O 3.48Å; Y320-L330 WeakPolarHBondContact CB-O 3.05Å; Y320-L330 WeakPolarHBondContact CD1-O 3Å; H321-L330 PolarHBondContact N-O 3.16Å; H321-L330 VanDerWaalsContact N-O 3.16Å; H321-L330 PolarHBondContact O-N 3.49Å; H321-L330 VanDerWaalsContact O-N 3.16Å; A323-L330 HydrophobicContact CB-CD1 3.93Å; A323-L330 HydrophobicContact CB-CG 4Å
331P56.8Low66.2Low72 Ų7270.4 Ų70.447%0.46836%0.361SS..EExtended strand (participates in β ladder)trans-52.4147.9168.125-34000109Y320 H321 N333Y320-P331 HydrophobicContact CD1-CB 4.07Å; Y320-P331 HydrophobicContact CE1-CB 3.81Å; H321-P331 PolarHBondContact CE1-O 2.77Å; H321-P331 VanDerWaalsContact CE1-O 3.24Å; P331-N333 PolarHBondContact O-N 3.25Å
332D52.9Low67.1Low40 Ų4069.1 Ų69.121%0.21436%0.356CS..  trans-66.777.1164.7-73.5-21.6000107.8G319 Y320 H321 P334 I337G319-D332 VanDerWaalsContact C-CB 3.46Å; G319-D332 WeakPolarHBondContact CA-OD2 3.01Å; G319-D332 PolarHBondContact N-OD2 3.28Å; G319-D332 VanDerWaalsContact O-CB 3.3Å; G319-D332 WeakPolarHBondContact O-CB 3.01Å; G319-D332 PolarHBondContact O-N 3.19Å; Y320-D332 VanDerWaalsContact C-OD1 3.23Å; Y320-D332 WeakPolarHBondContact CA-OD1 3.42Å; Y320-D332 VanDerWaalsContact N-CG 3.27Å; Y320-D332 PolarHBondContact N-OD2 3.19Å; H321-D332 WeakPolarHBondContact CB-OD1 3.29Å; H321-D332 IonicContact CE1-OD1 3.75Å; H321-D332 IonicContact CG-OD1 3.54Å; H321-D332 PolarHBondContact N-OD1 2.93Å; H321-D332 VanDerWaalsContact N-OD1 3.14Å; H321-D332 IonicContact ND1-OD1 2.7Å; H321-D332 PolarHBondContact ND1-OD1 3.04Å; D332-P334 VanDerWaalsContact O-N 3.08Å; D332-I337 HydrophobicContact CB-CD1 3.76Å; D332-I337 HydrophobicContact CB-CG1 4Å
333N53.6Low67.7Low38 Ų3869.9 Ų69.920%0.20336%0.358CS..  trans-31.7115.3139.9176.1-0.3000106.3P331 C335 Q336 N348P331-N333 PolarHBondContact O-N 3.25Å; N333-C335 PolarHBondContact O-N 3.4Å; N333-C335 WeakPolarHBondContact OD1-CB 3.36Å; N333-C335 PolarHBondContact OD1-N 3.13Å; N333-C335 VanDerWaalsContact OD1-N 3.1Å; N333-C335 PolarHBondContact OD1-SG 2.8Å; N333-Q336 PolarHBondContact O-N 3.26Å; N333-N348 WeakPolarHBondContact OD1-CB 2.87Å
334P58.2Low68.4Low35 Ų3570.9 Ų70.923%0.22736%0.36CS..G310 helixtrans-56.8-25.6-174.821-32.3000110.9D332 Q336 I337 G340 V353D332-P334 VanDerWaalsContact O-N 3.08Å; P334-Q336 PolarHBondContact O-N 2.03Å; P334-I337 CarbonylContact O-C 3.5Å; P334-I337 PolarHBondContact O-N 2.83Å; P334-I337 VanDerWaalsContact O-N 3.09Å; P334-G340 WeakPolarHBondContact O-CA 3.09Å; P334-G340 PolarHBondContact O-N 2.85Å; P334-V353 HydrophobicContact CB-CG2 3.53Å; P334-V353 HydrophobicContact CG-CG2 3.48Å; P334-V353 VanDerWaalsContact CG-CG2 3.48Å
335C68.6Low69.2Low12 Ų1265.1 Ų65.18%0.08133%0.334CS..G310 helixtrans-58.8-0.6168.3-50.20000116.8N333 N339 C346N333-C335 PolarHBondContact O-N 3.4Å; N333-C335 WeakPolarHBondContact OD1-CB 3.36Å; N333-C335 PolarHBondContact OD1-N 3.13Å; N333-C335 VanDerWaalsContact OD1-N 3.1Å; N333-C335 PolarHBondContact OD1-SG 2.8Å; C335-N339 WeakPolarHBondContact O-CA 3.23Å; C335-C346 WeakPolarHBondContact CA-SG 3.09Å; C335-C346 HydrophobicContact CB-CB 3.33Å; C335-C346 WeakPolarHBondContact CB-SG 3.35Å; C335-C346 VanDerWaalsContact SG-CA 3.6Å; C335-C346 WeakPolarHBondContact SG-CB 3.46Å; C335-C346 PolarHBondContact SG-O 3.1Å; C335-C346 CovalentContact SG-SG 2.02Å; C335-C346 PolarHBondContact SG-SG 2.77Å
336Q62.3Low69.7Low105 Ų10561.8 Ų61.849%0.49132%0.317SS..G310 helixtrans-115.4-19.2171.5-63.5-156.548.100112.8H321 N333 P334 N338H321-Q336 PolarHBondContact CD2-OE1 3.3Å; H321-Q336 PolarHBondContact CE1-NE2 2.91Å; H321-Q336 VanDerWaalsContact NE2-CD 3.25Å; H321-Q336 PolarHBondContact NE2-NE2 3.38Å; H321-Q336 PolarHBondContact NE2-OE1 3.2Å; H321-Q336 VanDerWaalsContact NE2-OE1 3.17Å; N333-Q336 PolarHBondContact O-N 3.26Å; P334-Q336 PolarHBondContact O-N 2.03Å; Q336-N338 PolarHBondContact O-N 3.29Å
337I55.6Low70.1Confident103 Ų10358.1 Ų58.153%0.52830%0.302SS..SBendtrans-85.9100.1164.3-57.4177.8000107.9D332 P334 N339 G340D332-I337 HydrophobicContact CB-CD1 3.76Å; D332-I337 HydrophobicContact CB-CG1 4Å; P334-I337 CarbonylContact O-C 3.5Å; P334-I337 PolarHBondContact O-N 2.83Å; P334-I337 VanDerWaalsContact O-N 3.09Å; I337-N339 PolarHBondContact O-N 2.03Å; I337-G340 PolarHBondContact O-N 2.89Å; I337-G340 VanDerWaalsContact O-N 3.1Å
338N59.7Low69.5Low142 Ų14259 Ų5976%0.75931%0.309SS*.G310 helixtrans53.839.2180-168.336.2000112.8Q336 G340 G341Q336-N338 PolarHBondContact O-N 3.29Å; N338-G340 PolarHBondContact O-N 2.7Å; N338-G340 VanDerWaalsContact O-N 3.1Å; N338-G341 WeakPolarHBondContact O-CA 3.26Å; N338-G341 PolarHBondContact O-N 2.03Å
339N70.3Confident68.8Low42 Ų4255 Ų5523%0.22530%0.302CS..G310 helixtrans52.628.7-176.6-161.913.5000114.8C335 I337 G341 C342 Q343 H344 C346C335-N339 WeakPolarHBondContact O-CA 3.23Å; I337-N339 PolarHBondContact O-N 2.03Å; N339-G341 PolarHBondContact O-N 3.22Å; N339-G341 VanDerWaalsContact O-N 3.13Å; N339-C342 WeakPolarHBondContact CB-O 3.49Å; N339-C342 PolarHBondContact ND2-O 2.82Å; N339-C342 VanDerWaalsContact ND2-O 3.09Å; N339-C342 WeakPolarHBondContact O-CA 3.33Å; N339-C342 WeakPolarHBondContact O-CB 3.44Å; N339-C342 PolarHBondContact O-N 3.32Å; N339-C342 PolarHBondContact O-SG 3.07Å; N339-C342 VanDerWaalsContact O-SG 3.38Å; N339-Q343 PolarHBondContact ND2-O 3.3Å; N339-H344 PolarHBondContact ND2-O 3.17Å; N339-C346 WeakPolarHBondContact OD1-CB 3.24Å
340G71.2Confident67.6Low11 Ų1162.8 Ų62.811%0.11334%0.343CS..G310 helixtrans68.88-173.600000113.2P334 I337 N338 C342 K369P334-G340 WeakPolarHBondContact O-CA 3.09Å; P334-G340 PolarHBondContact O-N 2.85Å; I337-G340 PolarHBondContact O-N 2.89Å; I337-G340 VanDerWaalsContact O-N 3.1Å; N338-G340 PolarHBondContact O-N 2.7Å; N338-G340 VanDerWaalsContact O-N 3.1Å; G340-C342 VanDerWaalsContact C-N 3.31Å; G340-K369 PolarHBondContact O-NZ 2.85Å
341G78.1Confident67.2Low35 Ų3561.5 Ų61.536%0.36135%0.35SS..G310 helixtrans82-2.4-163.400000114.5N338 N339 K369N338-G341 WeakPolarHBondContact O-CA 3.26Å; N338-G341 PolarHBondContact O-N 2.03Å; N339-G341 PolarHBondContact O-N 3.22Å; N339-G341 VanDerWaalsContact O-N 3.13Å; G341-K369 WeakPolarHBondContact O-CB 3.27Å
342C83.7Confident67.6Low9 Ų962.7 Ų62.76%0.06136%0.356CS..  trans-68.8156.7174.4-52.20000111.2N339 G340 C346 V353 C355 K369N339-C342 WeakPolarHBondContact CB-O 3.49Å; N339-C342 PolarHBondContact ND2-O 2.82Å; N339-C342 VanDerWaalsContact ND2-O 3.09Å; N339-C342 WeakPolarHBondContact O-CA 3.33Å; N339-C342 WeakPolarHBondContact O-CB 3.44Å; N339-C342 PolarHBondContact O-N 3.32Å; N339-C342 PolarHBondContact O-SG 3.07Å; N339-C342 VanDerWaalsContact O-SG 3.38Å; G340-C342 VanDerWaalsContact C-N 3.31Å; C342-C346 HydrophobicContact CB-CB 3.92Å; C342-C346 WeakPolarHBondContact SG-CB 3.21Å; C342-C346 PolarHBondContact SG-SG 3.22Å; C342-V353 WeakPolarHBondContact SG-CG1 3.47Å; C342-C355 VanDerWaalsContact CA-SG 3.6Å; C342-C355 HydrophobicContact CB-CB 3.67Å; C342-C355 WeakPolarHBondContact CB-SG 3.34Å; C342-C355 WeakPolarHBondContact SG-CA 3.5Å; C342-C355 WeakPolarHBondContact SG-CB 3.43Å; C342-C355 CovalentContact SG-SG 2.02Å; C342-C355 PolarHBondContact SG-SG 3.13Å; C342-K369 CarbonylContact C-O 3.51Å; C342-K369 VanDerWaalsContact CA-O 3.31Å; C342-K369 WeakPolarHBondContact CA-O 3.06Å
343Q81.3Confident68.1Low77 Ų7762.7 Ų62.736%0.3636%0.357SS..SBendtrans-85.1-47.7178.7-165.8-180-49.700112.9N339 K369 C371N339-Q343 PolarHBondContact ND2-O 3.3Å; Q343-K369 PolarHBondContact N-O 2.87Å; Q343-C371 HydrophobicContact CB-CB 4.13Å; Q343-C371 VanDerWaalsContact CD-O 3.24Å; Q343-C371 PolarHBondContact NE2-O 3.42Å; Q343-C371 PolarHBondContact OE1-O 2.64Å
344H84.6Confident69.4Low33 Ų3366 Ų6615%0.15337%0.371CS..SBendtrans-111.5-81.8-176-61.8152000111.8N339 Y361 C371N339-H344 PolarHBondContact ND2-O 3.17Å; H344-Y361 AromaticContact CE1-CD1 3.21Å; H344-Y361 WeakPolarHBondContact CE1-CD1 3.08Å; H344-Y361 AromaticContact CE1-CD2 3.63Å; H344-Y361 AromaticContact CE1-CE1 3.22Å; H344-Y361 WeakPolarHBondContact CE1-CE1 3.37Å; H344-Y361 AromaticContact CE1-CE2 3.63Å; H344-Y361 AromaticContact CE1-CG 3.39Å; H344-Y361 AromaticContact CE1-CZ 3.42Å; H344-Y361 VanDerWaalsContact CE1-CZ 3.42Å; H344-Y361 AromaticContact ND1-CD1 3.79Å; H344-Y361 AromaticContact ND1-CD2 3.51Å; H344-Y361 AromaticContact ND1-CE2 3.82Å; H344-Y361 AromaticContact ND1-CG 3.45Å; H344-Y361 AromaticContact NE2-CE1 3.91Å; H344-Y361 AromaticContact NE2-CZ 3.88Å; H344-C371 WeakPolarHBondContact CE1-CB 3.21Å; H344-C371 WeakPolarHBondContact ND1-CB 3.15Å
345E80.4Confident70.6Confident79 Ų7964.8 Ų64.837%0.36936%0.363SS..EExtended strand (participates in β ladder)trans-111.2146.7-174.1-159.9163.5172.800110.8H347 C355 S356 H358E345-H347 IonicContact OE1-CE1 2.99Å; E345-H347 PolarHBondContact OE1-CE1 3.01Å; E345-C355 WeakPolarHBondContact O-CA 3.44Å; E345-S356 CarbonylContact C-O 3.58Å; E345-S356 WeakPolarHBondContact CB-OG 3.45Å; E345-S356 PolarHBondContact N-O 3.28Å; E345-S356 PolarHBondContact O-N 3.1Å; E345-H358 IonicContact OE2-CE1 3.15Å; E345-H358 PolarHBondContact OE2-CE1 3.5Å; E345-H358 IonicContact OE2-ND1 2.75Å; E345-H358 PolarHBondContact OE2-ND1 3.4Å
346C82.2Confident71.3Confident15 Ų1565.2 Ų65.210%0.10137%0.367CS..EExtended strand (participates in β ladder)trans-142.6123.7-176.2176.80000108.9C335 N339 C342C335-C346 WeakPolarHBondContact CA-SG 3.09Å; C335-C346 HydrophobicContact CB-CB 3.33Å; C335-C346 WeakPolarHBondContact CB-SG 3.35Å; C335-C346 VanDerWaalsContact SG-CA 3.6Å; C335-C346 WeakPolarHBondContact SG-CB 3.46Å; C335-C346 PolarHBondContact SG-O 3.1Å; C335-C346 CovalentContact SG-SG 2.02Å; C335-C346 PolarHBondContact SG-SG 2.77Å; N339-C346 WeakPolarHBondContact OD1-CB 3.24Å; C342-C346 HydrophobicContact CB-CB 3.92Å; C342-C346 WeakPolarHBondContact SG-CB 3.21Å; C342-C346 PolarHBondContact SG-SG 3.22Å
347H78.3Confident72.3Confident81 Ų8161.5 Ų61.538%0.37535%0.352SS..EExtended strand (participates in β ladder)trans-105.9130.5177.7-53.8-46.7000109.6E345 V349 H354 S356E345-H347 IonicContact OE1-CE1 2.99Å; E345-H347 PolarHBondContact OE1-CE1 3.01Å; H347-V349 HydrophobicContact CB-CG2 4.36Å; H347-V349 PolarHBondContact O-N 3.16Å; H347-H354 PolarHBondContact N-O 3.26Å; H347-H354 PolarHBondContact O-N 3.23Å; H347-S356 PolarHBondContact CD2-OG 2.92Å; H347-S356 VanDerWaalsContact CD2-OG 3.22Å; H347-S356 PolarHBondContact CE1-OG 3.18Å; H347-S356 PolarHBondContact NE2-OG 3.31Å
348N65.9Low73.5Confident71 Ų7160.9 Ų60.938%0.3835%0.347SS..EExtended strand (participates in β ladder)trans-81.299.9172.8-170.6-10000109.7N333 G351N333-N348 WeakPolarHBondContact OD1-CB 2.87Å; N348-G351 WeakPolarHBondContact OD1-CA 3.4Å; N348-G351 PolarHBondContact OD1-N 3.37Å
349V63.7Low74.3Confident73 Ų7363.3 Ų63.344%0.44235%0.353SS..EExtended strand (participates in β ladder)trans-103.797.6177.1-174.30000108.1H347 G351 V352 H354H347-V349 HydrophobicContact CB-CG2 4.36Å; H347-V349 PolarHBondContact O-N 3.16Å; V349-G351 VanDerWaalsContact C-N 3.32Å; V349-G351 PolarHBondContact O-N 2.91Å; V349-V352 PolarHBondContact N-O 3.19Å; V349-V352 WeakPolarHBondContact O-CB 3.37Å; V349-V352 PolarHBondContact O-N 2.03Å; V349-H354 HydrophobicContact CG2-CB 3.91Å
350N50.4Low74.7Confident163 Ų16361.7 Ų61.787%0.87235%0.347SS*.THydrogen-bonded Turntrans55.338.9179.6-57.5-26.5000114.4V352N350-V352 VanDerWaalsContact C-N 3.29Å
351G53.6Low75.4Confident55 Ų5563 Ų6357%0.56735%0.349SS*.THydrogen-bonded Turntrans84.5-2.6-176.600000114.4N348 V349N348-G351 WeakPolarHBondContact OD1-CA 3.4Å; N348-G351 PolarHBondContact OD1-N 3.37Å; V349-G351 VanDerWaalsContact C-N 3.32Å; V349-G351 PolarHBondContact O-N 2.91Å
352V64.9Low75.7Confident97 Ų9766.4 Ų66.459%0.58836%0.355SS*.EExtended strand (participates in β ladder)trans-96.9133.9175.4-175.50000109.9V349 N350 H354V349-V352 PolarHBondContact N-O 3.19Å; V349-V352 WeakPolarHBondContact O-CB 3.37Å; V349-V352 PolarHBondContact O-N 2.03Å; N350-V352 VanDerWaalsContact C-N 3.29Å; V352-H354 PolarHBondContact O-N 2.81Å
353V62.9Low75.5Confident40 Ų4069.4 Ų69.424%0.24237%0.37CS..EExtended strand (participates in β ladder)trans-66.6116.3169.6167.80000109.6P334 C342P334-V353 HydrophobicContact CB-CG2 3.53Å; P334-V353 HydrophobicContact CG-CG2 3.48Å; P334-V353 VanDerWaalsContact CG-CG2 3.48Å; C342-V353 WeakPolarHBondContact SG-CG1 3.47Å
354H81Confident75.3Confident108 Ų10867.4 Ų67.450%0.536%0.363SS..EExtended strand (participates in β ladder)trans-115.3105.6166.7-175.9-64.6000109.5H347 V349 V352H347-H354 PolarHBondContact N-O 3.26Å; H347-H354 PolarHBondContact O-N 3.23Å; V349-H354 HydrophobicContact CG2-CB 3.91Å; V352-H354 PolarHBondContact O-N 2.81Å
355C83.3Confident74.9Confident9 Ų971.4 Ų71.46%0.06139%0.392CS..EExtended strand (participates in β ladder)trans-76.7146.7178.9-49.40000111.9C342 E345 L363 S368 K369C342-C355 VanDerWaalsContact CA-SG 3.6Å; C342-C355 HydrophobicContact CB-CB 3.67Å; C342-C355 WeakPolarHBondContact CB-SG 3.34Å; C342-C355 WeakPolarHBondContact SG-CA 3.5Å; C342-C355 WeakPolarHBondContact SG-CB 3.43Å; C342-C355 CovalentContact SG-SG 2.02Å; C342-C355 PolarHBondContact SG-SG 3.13Å; E345-C355 WeakPolarHBondContact O-CA 3.44Å; C355-L363 HydrophobicContact CB-CD2 4.33Å; C355-S368 VanDerWaalsContact CB-O 3.3Å; C355-S368 WeakPolarHBondContact CB-O 3.04Å; C355-S368 PolarHBondContact SG-O 2.8Å; C355-K369 VanDerWaalsContact SG-CA 3.57Å
356S83.6Confident74.8Confident22 Ų2276.7 Ų76.715%0.15442%0.417CS..EExtended strand (participates in β ladder)trans-134.7160.5171340000107.9E345 H347E345-S356 CarbonylContact C-O 3.58Å; E345-S356 WeakPolarHBondContact CB-OG 3.45Å; E345-S356 PolarHBondContact N-O 3.28Å; E345-S356 PolarHBondContact O-N 3.1Å; H347-S356 PolarHBondContact CD2-OG 2.92Å; H347-S356 VanDerWaalsContact CD2-OG 3.22Å; H347-S356 PolarHBondContact CE1-OG 3.18Å; H347-S356 PolarHBondContact NE2-OG 3.31Å
357C84.5Confident74.5Confident27 Ų2779.4 Ų79.418%0.18243%0.43CS..  trans-111139.8173.6-56.90000108Y361 L363 C371C357-Y361 WeakPolarHBondContact CB-O 3.44Å; C357-L363 VanDerWaalsContact SG-CD2 3.56Å; C357-L363 PolarHBondContact SG-N 2.86Å; C357-L363 VanDerWaalsContact SG-N 3.41Å; C357-C371 VanDerWaalsContact CA-SG 3.54Å; C357-C371 HydrophobicContact CB-CB 3.95Å; C357-C371 WeakPolarHBondContact CB-SG 3.08Å; C357-C371 WeakPolarHBondContact SG-CB 3.49Å; C357-C371 CovalentContact SG-SG 2.04Å; C357-C371 PolarHBondContact SG-SG 2.02Å
358H79.2Confident74.2Confident89 Ų8979.9 Ų79.941%0.41244%0.443SS..  trans-59.4162.9172.7-57.2-41.9000110.8E345 Y361E345-H358 IonicContact OE2-CE1 3.15Å; E345-H358 PolarHBondContact OE2-CE1 3.5Å; E345-H358 IonicContact OE2-ND1 2.75Å; E345-H358 PolarHBondContact OE2-ND1 3.4Å; H358-Y361 HydrophobicContact CB-CD2 4.25Å; H358-Y361 WeakPolarHBondContact O-CB 3.4Å; H358-Y361 PolarHBondContact O-N 2.96Å
359E76.3Confident75Confident193 Ų19380.5 Ų80.590%0.90244%0.442SS*.THydrogen-bonded Turntrans-54.2140.5173.8-160.3164.5-154.200110.4
360G80Confident75.8Confident9 Ų982.4 Ų82.49%0.09344%0.444CS..THydrogen-bonded Turntrans85.1-1.9-167.600000115.6I374G360-I374 WeakPolarHBondContact O-CB 3.45Å; G360-I374 PolarHBondContact O-N 3.38Å
361Y86Confident77.5Confident39 Ų3974.8 Ų74.815%0.15340%0.404CS..EExtended strand (participates in β ladder)trans-131.1151.7178.9-64.7-83.3000113.8H344 C357 H358 D373 D392 G393H344-Y361 AromaticContact CE1-CD1 3.21Å; H344-Y361 WeakPolarHBondContact CE1-CD1 3.08Å; H344-Y361 AromaticContact CE1-CD2 3.63Å; H344-Y361 AromaticContact CE1-CE1 3.22Å; H344-Y361 WeakPolarHBondContact CE1-CE1 3.37Å; H344-Y361 AromaticContact CE1-CE2 3.63Å; H344-Y361 AromaticContact CE1-CG 3.39Å; H344-Y361 AromaticContact CE1-CZ 3.42Å; H344-Y361 VanDerWaalsContact CE1-CZ 3.42Å; H344-Y361 AromaticContact ND1-CD1 3.79Å; H344-Y361 AromaticContact ND1-CD2 3.51Å; H344-Y361 AromaticContact ND1-CE2 3.82Å; H344-Y361 AromaticContact ND1-CG 3.45Å; H344-Y361 AromaticContact NE2-CE1 3.91Å; H344-Y361 AromaticContact NE2-CZ 3.88Å; C357-Y361 WeakPolarHBondContact CB-O 3.44Å; H358-Y361 HydrophobicContact CB-CD2 4.25Å; H358-Y361 WeakPolarHBondContact O-CB 3.4Å; H358-Y361 PolarHBondContact O-N 2.96Å; Y361-D373 HydrophobicContact CD1-CB 4.14Å; Y361-D373 HydrophobicContact CE1-CB 4.19Å; Y361-D392 VanDerWaalsContact CZ-C 3.46Å; Y361-D392 PolarHBondContact OH-O 3.34Å; Y361-G393 VanDerWaalsContact CZ-N 3.3Å; Y361-G393 PolarHBondContact OH-N 3.14Å
362Q83.4Confident78.9Confident105 Ų10575.1 Ų75.149%0.49140%0.395SS..EExtended strand (participates in β ladder)trans-126.4145.8177.958-179.2-2200112C371 T372 I374Q362-C371 WeakPolarHBondContact O-CA 3.16Å; Q362-T372 WeakPolarHBondContact CG-O 3.27Å; Q362-T372 PolarHBondContact N-O 3.08Å; Q362-T372 PolarHBondContact O-N 3.42Å; Q362-T372 PolarHBondContact O-OG1 3.03Å; Q362-I374 HydrophobicContact CB-CD1 4.1Å; Q362-I374 HydrophobicContact CB-CG1 3.76Å; Q362-I374 HydrophobicContact CG-CG1 3.74Å
363L79.4Confident79.8Confident72 Ų7272 Ų7238%0.37738%0.375SS..EExtended strand (participates in β ladder)trans-65.6137.3175.5-76.4167.3000111.1C355 C357C355-L363 HydrophobicContact CB-CD2 4.33Å; C357-L363 VanDerWaalsContact SG-CD2 3.56Å; C357-L363 PolarHBondContact SG-N 2.86Å; C357-L363 VanDerWaalsContact SG-N 3.41Å
364V78.4Confident80.7Confident35 Ų3573.3 Ų73.321%0.21238%0.38CS..EExtended strand (participates in β ladder)trans-67.6126.4177.2174.60000109.5H366 D367 K370 T372V364-H366 PolarHBondContact O-N 3.48Å; V364-D367 HydrophobicContact CB-CB 4.3Å; V364-D367 HydrophobicContact CG1-CB 4.23Å; V364-D367 CarbonylContact O-C 3.58Å; V364-D367 PolarHBondContact O-N 2.92Å; V364-K370 HydrophobicContact CB-CB 4.16Å; V364-K370 HydrophobicContact CG2-CB 3.87Å; V364-K370 HydrophobicContact CG2-CG 4.07Å; V364-K370 PolarHBondContact N-O 3.36Å; V364-T372 HydrophobicContact CG2-CG2 3.65Å
365P75.7Confident80.8Confident118 Ų11871.4 Ų71.477%0.76637%0.373SS*.THydrogen-bonded Turntrans-58.7-9.7-172.9-29.536.1000117.4
366H77.3Confident80.9Confident190 Ų19072.9 Ų72.988%0.8838%0.379SS*.THydrogen-bonded Turntrans-127.10-179.5-59.1-28.7000113.6V364V364-H366 PolarHBondContact O-N 3.48Å
367D76.4Confident81Confident71 Ų7173 Ų7338%0.3838%0.38SS..EExtended strand (participates in β ladder)trans-140.493.6176.7-174.9-12.9000108.1V364 K369 K370V364-D367 HydrophobicContact CB-CB 4.3Å; V364-D367 HydrophobicContact CG1-CB 4.23Å; V364-D367 CarbonylContact O-C 3.58Å; V364-D367 PolarHBondContact O-N 2.92Å; D367-K369 PolarHBondContact O-N 3.2Å; D367-K369 WeakPolarHBondContact OD1-CB 3.23Å; D367-K369 PolarHBondContact OD1-N 2.98Å; D367-K370 HydrophobicContact CB-CB 3.89Å; D367-K370 PolarHBondContact O-N 2.7Å; D367-K370 PolarHBondContact OD1-N 3.33Å; D367-K370 WeakPolarHBondContact OD2-CB 3.38Å
368S73.3Confident80.9Confident92 Ų9276 Ų7664%0.64340%0.401SS*.EExtended strand (participates in β ladder)trans-69.310-178.372.50000113.8C355C355-S368 VanDerWaalsContact CB-O 3.3Å; C355-S368 WeakPolarHBondContact CB-O 3.04Å; C355-S368 PolarHBondContact SG-O 2.8Å
369K81.3Confident80.8Confident84 Ų8478.9 Ų78.937%0.36542%0.417SS..EExtended strand (participates in β ladder)trans-109.2-18.8169.2-57.5-159.3174.5-166.10113.4G340 G341 C342 Q343 C355 D367G340-K369 PolarHBondContact O-NZ 2.85Å; G341-K369 WeakPolarHBondContact O-CB 3.27Å; C342-K369 CarbonylContact C-O 3.51Å; C342-K369 VanDerWaalsContact CA-O 3.31Å; C342-K369 WeakPolarHBondContact CA-O 3.06Å; Q343-K369 PolarHBondContact N-O 2.87Å; C355-K369 VanDerWaalsContact SG-CA 3.57Å; D367-K369 PolarHBondContact O-N 3.2Å; D367-K369 WeakPolarHBondContact OD1-CB 3.23Å; D367-K369 PolarHBondContact OD1-N 2.98Å
370K80.6Confident81Confident112 Ų11276.9 Ų76.949%0.48741%0.412SS..EExtended strand (participates in β ladder)trans-98.5142.1-172.3-157.2169.1-171.81680111.3V364 D367V364-K370 HydrophobicContact CB-CB 4.16Å; V364-K370 HydrophobicContact CG2-CB 3.87Å; V364-K370 HydrophobicContact CG2-CG 4.07Å; V364-K370 PolarHBondContact N-O 3.36Å; D367-K370 HydrophobicContact CB-CB 3.89Å; D367-K370 PolarHBondContact O-N 2.7Å; D367-K370 PolarHBondContact OD1-N 3.33Å; D367-K370 WeakPolarHBondContact OD2-CB 3.38Å
371C85.4Confident81.1Confident4 Ų479.1 Ų79.13%0.02742%0.422CS..EExtended strand (participates in β ladder)trans-116134.3179-67.80000109.4Q343 H344 C357 Q362Q343-C371 HydrophobicContact CB-CB 4.13Å; Q343-C371 VanDerWaalsContact CD-O 3.24Å; Q343-C371 PolarHBondContact NE2-O 3.42Å; Q343-C371 PolarHBondContact OE1-O 2.64Å; H344-C371 WeakPolarHBondContact CE1-CB 3.21Å; H344-C371 WeakPolarHBondContact ND1-CB 3.15Å; C357-C371 VanDerWaalsContact CA-SG 3.54Å; C357-C371 HydrophobicContact CB-CB 3.95Å; C357-C371 WeakPolarHBondContact CB-SG 3.08Å; C357-C371 WeakPolarHBondContact SG-CB 3.49Å; C357-C371 CovalentContact SG-SG 2.04Å; C357-C371 PolarHBondContact SG-SG 2.02Å; Q362-C371 WeakPolarHBondContact O-CA 3.16Å
372T84.2Confident80.6Confident62 Ų6277.8 Ų77.838%0.3842%0.42SS..EExtended strand (participates in β ladder)trans-112.3138.5169.934.60000108.9Q362 V364Q362-T372 WeakPolarHBondContact CG-O 3.27Å; Q362-T372 PolarHBondContact N-O 3.08Å; Q362-T372 PolarHBondContact O-N 3.42Å; Q362-T372 PolarHBondContact O-OG1 3.03Å; V364-T372 HydrophobicContact CG2-CG2 3.65Å
373D84Confident80.5Confident32 Ų3274.6 Ų74.617%0.17142%0.415CS..EExtended strand (participates in β ladder)trans-48.9137.9170.6169107.1000111.6Y361 N375 N390 D392 G393Y361-D373 HydrophobicContact CD1-CB 4.14Å; Y361-D373 HydrophobicContact CE1-CB 4.19Å; D373-N375 PolarHBondContact O-N 3.46Å; D373-N375 WeakPolarHBondContact OD2-CA 3.47Å; D373-N375 PolarHBondContact OD2-N 3.02Å; D373-N375 VanDerWaalsContact OD2-N 3.16Å; D373-N390 PolarHBondContact OD1-ND2 2.67Å; D373-N390 PolarHBondContact OD2-ND2 2.73Å; D373-D392 WeakPolarHBondContact OD1-CA 3.32Å; D373-G393 PolarHBondContact OD1-N 2.04Å
374I81.8Confident80.9Confident66 Ų6671.6 Ų71.634%0.33840%0.4SS..  trans-88.299.5169.6-61.8169.9000106.2G360 Q362 E376G360-I374 WeakPolarHBondContact O-CB 3.45Å; G360-I374 PolarHBondContact O-N 3.38Å; Q362-I374 HydrophobicContact CB-CD1 4.1Å; Q362-I374 HydrophobicContact CB-CG1 3.76Å; Q362-I374 HydrophobicContact CG-CG1 3.74Å; I374-E376 HydrophobicContact CG2-CG 4.37Å; I374-E376 WeakPolarHBondContact O-CG 3.43Å; I374-E376 PolarHBondContact O-N 2.84Å
375N82.2Confident81.1Confident68 Ų6875.1 Ų75.136%0.36441%0.414SS..  trans-69.188.8-178.2-176.3-63.5000111.3D373 C377 S378 N390D373-N375 PolarHBondContact O-N 3.46Å; D373-N375 WeakPolarHBondContact OD2-CA 3.47Å; D373-N375 PolarHBondContact OD2-N 3.02Å; D373-N375 VanDerWaalsContact OD2-N 3.16Å; N375-C377 PolarHBondContact O-N 2.87Å; N375-S378 WeakPolarHBondContact O-CB 3.47Å; N375-S378 PolarHBondContact O-N 3.41Å; N375-S378 PolarHBondContact O-OG 3.34Å; N375-S378 PolarHBondContact OD1-N 2.87Å; N375-S378 PolarHBondContact OD1-OG 2.74Å; N375-N390 WeakPolarHBondContact CA-OD1 3.36Å; N375-N390 WeakPolarHBondContact CB-OD1 3.34Å; N375-N390 VanDerWaalsContact ND2-CG 3.27Å; N375-N390 PolarHBondContact ND2-OD1 2.79Å; N375-N390 PolarHBondContact OD1-OD1 3.48Å
376E85.1Confident81.7Confident40 Ų4071.5 Ų71.519%0.18739%0.387CS..G310 helixtrans-68.8-22.1-174.8-5297.2149.400111.8I374 S378 M379 G382 N390 Y395I374-E376 HydrophobicContact CG2-CG 4.37Å; I374-E376 WeakPolarHBondContact O-CG 3.43Å; I374-E376 PolarHBondContact O-N 2.84Å; E376-S378 PolarHBondContact O-N 2.03Å; E376-M379 CarbonylContact O-C 3.51Å; E376-M379 PolarHBondContact O-N 2.82Å; E376-M379 VanDerWaalsContact O-O 3.11Å; E376-G382 PolarHBondContact O-N 3.02Å; E376-G382 VanDerWaalsContact O-N 3.15Å; E376-N390 PolarHBondContact N-OD1 3.31Å; E376-Y395 HydrophobicContact CB-CD1 3.65Å; E376-Y395 HydrophobicContact CB-CE1 3.99Å; E376-Y395 HydrophobicContact CB-CG 4.08Å; E376-Y395 HydrophobicContact CG-CD1 3.79Å; E376-Y395 HydrophobicContact CG-CE1 4.11Å; E376-Y395 WeakPolarHBondContact OE2-CB 3.41Å; E376-Y395 WeakPolarHBondContact OE2-CD1 3.42Å
377C86.7Confident81.9Confident25 Ų2566.3 Ų66.317%0.16937%0.365CS..G310 helixtrans-60-25.6171.7-57.20000113N375 M379 N381 C388 N390N375-C377 PolarHBondContact O-N 2.87Å; C377-M379 PolarHBondContact O-N 2.98Å; C377-N381 WeakPolarHBondContact O-CA 3.04Å; C377-N381 PolarHBondContact O-N 2.98Å; C377-C388 WeakPolarHBondContact CA-SG 3.39Å; C377-C388 HydrophobicContact CB-CB 3.6Å; C377-C388 WeakPolarHBondContact CB-SG 3.27Å; C377-C388 WeakPolarHBondContact SG-CB 3.35Å; C377-C388 PolarHBondContact SG-O 2.85Å; C377-C388 VanDerWaalsContact SG-O 3.39Å; C377-C388 CovalentContact SG-SG 2.03Å; C377-C388 PolarHBondContact SG-SG 2.85Å; C377-N390 PolarHBondContact SG-N 3.11Å
378S83.2Confident82.5Confident89 Ų8963.7 Ų63.762%0.62235%0.353SS*.G310 helixtrans-64-27.8171.5-58.80000112.8N375 E376N375-S378 WeakPolarHBondContact O-CB 3.47Å; N375-S378 PolarHBondContact O-N 3.41Å; N375-S378 PolarHBondContact O-OG 3.34Å; N375-S378 PolarHBondContact OD1-N 2.87Å; N375-S378 PolarHBondContact OD1-OG 2.74Å; E376-S378 PolarHBondContact O-N 2.03Å
379M76.4Confident82.9Confident151 Ų15166.8 Ų66.874%0.74435%0.35SS*.THydrogen-bonded Turntrans-108.396.8-172.7-69.8-65.4-74.800110.3E376 C377 N381 G382E376-M379 CarbonylContact O-C 3.51Å; E376-M379 PolarHBondContact O-N 2.82Å; E376-M379 VanDerWaalsContact O-O 3.11Å; C377-M379 PolarHBondContact O-N 2.98Å; M379-N381 PolarHBondContact O-N 3.47Å; M379-G382 PolarHBondContact O-N 2.84Å; M379-G382 VanDerWaalsContact O-N 3.14Å
380N79.8Confident82.9Confident150 Ų15064.9 Ų64.980%0.80234%0.344SS*.G310 helixtrans53.337.3179.4-164.642.3000113.3G382 G383N380-G382 PolarHBondContact O-N 2.67Å; N380-G383 PolarHBondContact O-N 3.18Å
381N83.6Confident82.5Confident57 Ų5762.8 Ų62.831%0.30534%0.34SS..G310 helixtrans57.231.2-179.6-159.249.1000113.3C377 M379 G383 C384 Q386 C388C377-N381 WeakPolarHBondContact O-CA 3.04Å; C377-N381 PolarHBondContact O-N 2.98Å; M379-N381 PolarHBondContact O-N 3.47Å; N381-G383 PolarHBondContact O-N 3.39Å; N381-C384 PolarHBondContact ND2-O 2.82Å; N381-C384 WeakPolarHBondContact O-CB 3.05Å; N381-C384 PolarHBondContact O-N 2.03Å; N381-C384 PolarHBondContact O-SG 2.91Å; N381-Q386 PolarHBondContact ND2-O 3.36Å; N381-C388 WeakPolarHBondContact O-CB 3.29Å; N381-C388 VanDerWaalsContact OD1-CB 3.23Å; N381-C388 WeakPolarHBondContact OD1-CB 3.18Å
382G74.8Confident82.2Confident10 Ų1068.3 Ų68.310%0.10337%0.37CS..G310 helixtrans63.45.5-171.800000114.8E376 M379 N380 C384 Y395 K410E376-G382 PolarHBondContact O-N 3.02Å; E376-G382 VanDerWaalsContact O-N 3.15Å; M379-G382 PolarHBondContact O-N 2.84Å; M379-G382 VanDerWaalsContact O-N 3.14Å; N380-G382 PolarHBondContact O-N 2.67Å; G382-C384 VanDerWaalsContact C-N 3.28Å; G382-Y395 WeakPolarHBondContact O-CE2 2.98Å; G382-Y395 VanDerWaalsContact O-CZ 3.23Å; G382-Y395 PolarHBondContact O-OH 3.03Å; G382-K410 PolarHBondContact O-NZ 3.44Å
383G81.8Confident81.7Confident38 Ų3866.1 Ų66.139%0.39236%0.359SS..G310 helixtrans74.811.4-16400000114.5N380 N381N380-G383 PolarHBondContact O-N 3.18Å; N381-G383 PolarHBondContact O-N 3.39Å
384C86Confident81.3Confident9 Ų967.5 Ų67.56%0.06137%0.372CS..  trans-70.3138171.3-54.10000110.8N381 G382 Q386 L387 C388 C397N381-C384 PolarHBondContact ND2-O 2.82Å; N381-C384 WeakPolarHBondContact O-CB 3.05Å; N381-C384 PolarHBondContact O-N 2.03Å; N381-C384 PolarHBondContact O-SG 2.91Å; G382-C384 VanDerWaalsContact C-N 3.28Å; C384-Q386 VanDerWaalsContact C-N 3.32Å; C384-Q386 PolarHBondContact O-N 2.88Å; C384-L387 WeakPolarHBondContact CB-O 3.05Å; C384-C388 HydrophobicContact CB-CB 4.15Å; C384-C397 WeakPolarHBondContact CA-SG 3.38Å; C384-C397 HydrophobicContact CB-CB 3.61Å; C384-C397 WeakPolarHBondContact CB-SG 3.45Å; C384-C397 WeakPolarHBondContact SG-CA 3Å; C384-C397 WeakPolarHBondContact SG-CB 3.35Å; C384-C397 CovalentContact SG-SG 2.03Å; C384-C397 PolarHBondContact SG-SG 2.92Å
385Q84.2Confident81.5Confident110 Ų11067 Ų6751%0.51437%0.366SS..SBendtrans-69-28.1-179.5-173.9-174.2-22.800113.1K410 S411 C412Q385-K410 WeakPolarHBondContact CB-O 3.44Å; Q385-K410 PolarHBondContact N-O 2.78Å; Q385-S411 VanDerWaalsContact OE1-CA 3.3Å; Q385-C412 PolarHBondContact NE2-O 3.45Å; Q385-C412 PolarHBondContact OE1-O 3.33Å
386Q87Confident81.6Confident41 Ų4166.2 Ų66.219%0.19237%0.366CS..SBendtrans-128.9-91.3-175.7-64.9-167.318.400112.9N381 C384 N400 C412N381-Q386 PolarHBondContact ND2-O 3.36Å; C384-Q386 VanDerWaalsContact C-N 3.32Å; C384-Q386 PolarHBondContact O-N 2.88Å; Q386-N400 PolarHBondContact OE1-ND2 3.46Å; Q386-C412 HydrophobicContact CB-CB 4.46Å; Q386-C412 HydrophobicContact CG-CB 3.81Å
387L81.7Confident81.6Confident81 Ų8165 Ų6542%0.42436%0.361SS..EExtended strand (participates in β ladder)trans-96.5136178.7-157.471.5000108.6C384 C397 D398C384-L387 WeakPolarHBondContact CB-O 3.05Å; L387-C397 WeakPolarHBondContact O-CA 3.3Å; L387-D398 WeakPolarHBondContact CA-O 3.49Å; L387-D398 HydrophobicContact CB-CB 4.19Å; L387-D398 VanDerWaalsContact CB-O 3.24Å; L387-D398 WeakPolarHBondContact CB-O 3.25Å; L387-D398 HydrophobicContact CD2-CB 4.28Å; L387-D398 PolarHBondContact N-O 3.42Å; L387-D398 PolarHBondContact O-N 3.28Å; L387-D398 VanDerWaalsContact O-O 3.07Å
388C88.7Confident81.3Confident17 Ų1767.5 Ų67.512%0.11537%0.373CS..EExtended strand (participates in β ladder)trans-107.6118.1161.8-176.60000106.7C377 N381 C384 Y395C377-C388 WeakPolarHBondContact CA-SG 3.39Å; C377-C388 HydrophobicContact CB-CB 3.6Å; C377-C388 WeakPolarHBondContact CB-SG 3.27Å; C377-C388 WeakPolarHBondContact SG-CB 3.35Å; C377-C388 PolarHBondContact SG-O 2.85Å; C377-C388 VanDerWaalsContact SG-O 3.39Å; C377-C388 CovalentContact SG-SG 2.03Å; C377-C388 PolarHBondContact SG-SG 2.85Å; N381-C388 WeakPolarHBondContact O-CB 3.29Å; N381-C388 VanDerWaalsContact OD1-CB 3.23Å; N381-C388 WeakPolarHBondContact OD1-CB 3.18Å; C384-C388 HydrophobicContact CB-CB 4.15Å; C388-Y395 VanDerWaalsContact SG-CD2 3.58Å
389R82.4Confident81.2Confident156 Ų15663.9 Ų63.959%0.58935%0.347SS*.EExtended strand (participates in β ladder)trans-100.8117.1171.7179.8-179.3174.5175.2-3.5107.6V391 Y395 S396R389-V391 HydrophobicContact CG-CG2 4.17Å; R389-V391 WeakPolarHBondContact O-CG2 3.39Å; R389-Y395 CarbonylContact O-C 3.52Å; R389-Y395 WeakPolarHBondContact O-CA 3.34Å; R389-S396 PolarHBondContact N-O 2.9Å; R389-S396 PolarHBondContact O-N 3.12Å
390N81.4Confident81.2Confident45 Ų4558.2 Ų58.224%0.24132%0.32CS..EExtended strand (participates in β ladder)trans-70.3134.2172.1-141.984000109.8D373 N375 E376 C377D373-N390 PolarHBondContact OD1-ND2 2.67Å; D373-N390 PolarHBondContact OD2-ND2 2.73Å; N375-N390 WeakPolarHBondContact CA-OD1 3.36Å; N375-N390 WeakPolarHBondContact CB-OD1 3.34Å; N375-N390 VanDerWaalsContact ND2-CG 3.27Å; N375-N390 PolarHBondContact ND2-OD1 2.79Å; N375-N390 PolarHBondContact OD1-OD1 3.48Å; E376-N390 PolarHBondContact N-OD1 3.31Å; C377-N390 PolarHBondContact SG-N 3.11Å
391V73.1Confident80.3Confident67 Ų6757 Ų5741%0.40632%0.32SS..EExtended strand (participates in β ladder)trans-142.2104.3-176-157.40000109.1R389 G393 S394 S396R389-V391 HydrophobicContact CG-CG2 4.17Å; R389-V391 WeakPolarHBondContact O-CG2 3.39Å; V391-G393 PolarHBondContact O-N 3.33Å; V391-S394 CarbonylContact C-O 3.3Å; V391-S394 PolarHBondContact N-O 3.23Å; V391-S394 CarbonylContact O-C 3.6Å; V391-S394 PolarHBondContact O-N 2.89Å; V391-S396 WeakPolarHBondContact CG2-OG 3.43Å
392D77.7Confident78.8Confident121 Ų12156.5 Ų56.565%0.64733%0.329SS*.THydrogen-bonded Turntrans-20.398.3-169.4-149.933.4000114.7Y361 D373Y361-D392 VanDerWaalsContact CZ-C 3.46Å; Y361-D392 PolarHBondContact OH-O 3.34Å; D373-D392 WeakPolarHBondContact OD1-CA 3.32Å
393G73.3Confident78.9Confident15 Ų1560.9 Ų60.916%0.15534%0.342CS..THydrogen-bonded Turntrans96.99.1-176.400000116.2Y361 D373 V391Y361-G393 VanDerWaalsContact CZ-N 3.3Å; Y361-G393 PolarHBondContact OH-N 3.14Å; D373-G393 PolarHBondContact OD1-N 2.04Å; V391-G393 PolarHBondContact O-N 3.33Å
394S77.1Confident78.1Confident62 Ų6264 Ų6443%0.43435%0.347SS..EExtended strand (participates in β ladder)trans-170.3-174.4175.3-149.80000111.5V391V391-S394 CarbonylContact C-O 3.3Å; V391-S394 PolarHBondContact N-O 3.23Å; V391-S394 CarbonylContact O-C 3.6Å; V391-S394 PolarHBondContact O-N 2.89Å
395Y85.3Confident77.7Confident56 Ų5667 Ų6722%0.2236%0.361CS..EExtended strand (participates in β ladder)trans-134.2136.5167.368.8-72.3000110.7E376 G382 C388 R389 K410E376-Y395 HydrophobicContact CB-CD1 3.65Å; E376-Y395 HydrophobicContact CB-CE1 3.99Å; E376-Y395 HydrophobicContact CB-CG 4.08Å; E376-Y395 HydrophobicContact CG-CD1 3.79Å; E376-Y395 HydrophobicContact CG-CE1 4.11Å; E376-Y395 WeakPolarHBondContact OE2-CB 3.41Å; E376-Y395 WeakPolarHBondContact OE2-CD1 3.42Å; G382-Y395 WeakPolarHBondContact O-CE2 2.98Å; G382-Y395 VanDerWaalsContact O-CZ 3.23Å; G382-Y395 PolarHBondContact O-OH 3.03Å; C388-Y395 VanDerWaalsContact SG-CD2 3.58Å; R389-Y395 CarbonylContact O-C 3.52Å; R389-Y395 WeakPolarHBondContact O-CA 3.34Å; Y395-K410 WeakPolarHBondContact OH-CE 3.01Å; Y395-K410 PolarHBondContact OH-NZ 3.33Å
396S83.4Confident77.1Confident51 Ų5162.4 Ų62.436%0.35734%0.343SS..EExtended strand (participates in β ladder)trans-98.8128.2164.958.10000109.3R389 V391R389-S396 PolarHBondContact N-O 2.9Å; R389-S396 PolarHBondContact O-N 3.12Å; V391-S396 WeakPolarHBondContact CG2-OG 3.43Å
397C86Confident76.2Confident14 Ų1469 Ų6910%0.09538%0.38CS..EExtended strand (participates in β ladder)trans-70139.3161.5-590000108.9C384 L387 I405 G409C384-C397 WeakPolarHBondContact CA-SG 3.38Å; C384-C397 HydrophobicContact CB-CB 3.61Å; C384-C397 WeakPolarHBondContact CB-SG 3.45Å; C384-C397 WeakPolarHBondContact SG-CA 3Å; C384-C397 WeakPolarHBondContact SG-CB 3.35Å; C384-C397 CovalentContact SG-SG 2.03Å; C384-C397 PolarHBondContact SG-SG 2.92Å; L387-C397 WeakPolarHBondContact O-CA 3.3Å; C397-I405 HydrophobicContact CB-CD1 4.06Å; C397-I405 WeakPolarHBondContact O-CD1 3.19Å; C397-G409 VanDerWaalsContact CB-O 3.32Å; C397-G409 WeakPolarHBondContact CB-O 3.24Å; C397-G409 PolarHBondContact SG-O 3.29Å
398D81.1Confident75.8Confident78 Ų7869.3 Ų69.342%0.41738%0.382SS..EExtended strand (participates in β ladder)trans-138159.6178.3-172.116.8000108.8L387L387-D398 WeakPolarHBondContact CA-O 3.49Å; L387-D398 HydrophobicContact CB-CB 4.19Å; L387-D398 VanDerWaalsContact CB-O 3.24Å; L387-D398 WeakPolarHBondContact CB-O 3.25Å; L387-D398 HydrophobicContact CD2-CB 4.28Å; L387-D398 PolarHBondContact N-O 3.42Å; L387-D398 PolarHBondContact O-N 3.28Å; L387-D398 VanDerWaalsContact O-O 3.07Å
399C80.9Confident75Confident13 Ų1370.2 Ų70.29%0.08839%0.394CS..  trans-116.9148.4-171.5-57.30000110.6W403 Q404 C412C399-W403 HydrophobicContact CB-CB 3.74Å; C399-Q404 VanDerWaalsContact SG-C 3.51Å; C399-C412 VanDerWaalsContact CA-SG 3.51Å; C399-C412 HydrophobicContact CB-CB 3.84Å; C399-C412 WeakPolarHBondContact CB-SG 3.27Å; C399-C412 WeakPolarHBondContact SG-CB 3.45Å; C399-C412 CovalentContact SG-SG 2.04Å; C399-C412 PolarHBondContact SG-SG 2.62Å
400N76.2Confident75Confident32 Ų3266.8 Ų66.817%0.17138%0.384CS..  trans-63.4150174.1-71.4-87.6000109.7Q386 G402 W403 K1380Q386-N400 PolarHBondContact OE1-ND2 3.46Å; N400-G402 PolarHBondContact O-N 2.03Å; N400-W403 WeakPolarHBondContact O-CB 3.24Å; N400-W403 VanDerWaalsContact O-CD1 3.28Å; N400-W403 PolarHBondContact O-N 3.28Å; N400-W403 VanDerWaalsContact O-N 3.08Å; N400-K1380 PolarHBondContact OD1-NZ 3.15Å
401P60.6Low74.9Confident124 Ų12466.9 Ų66.981%0.80539%0.388SS*.THydrogen-bonded Turntrans-47.7132.7178.4-30.936.2000113
402G52Low75.1Confident47 Ų4764 Ų6449%0.48537%0.37SS..THydrogen-bonded Turntrans8911.7-171.500000115.2N400 R414 V415N400-G402 PolarHBondContact O-N 2.03Å; G402-R414 WeakPolarHBondContact O-CG 3.39Å; G402-V415 PolarHBondContact O-N 2.86Å
403W77Confident74.4Confident101 Ų10163.5 Ų63.538%0.38336%0.361SS..EExtended strand (participates in β ladder)trans-133.8149.3175.7-58.771.3000110.1C399 N400 C412 Y413 R414C399-W403 HydrophobicContact CB-CB 3.74Å; N400-W403 WeakPolarHBondContact O-CB 3.24Å; N400-W403 VanDerWaalsContact O-CD1 3.28Å; N400-W403 PolarHBondContact O-N 3.28Å; N400-W403 VanDerWaalsContact O-N 3.08Å; W403-C412 HydrophobicContact CB-CB 4.45Å; W403-C412 HydrophobicContact CE3-CB 4.33Å; W403-C412 VanDerWaalsContact CE3-O 3.3Å; W403-C412 WeakPolarHBondContact CZ3-O 3.26Å; W403-Y413 CarbonylContact C-O 3.37Å; W403-Y413 VanDerWaalsContact CA-O 3.23Å; W403-Y413 WeakPolarHBondContact CA-O 3.41Å; W403-Y413 VanDerWaalsContact CE3-C 3.43Å; W403-R414 HydrophobicContact CD2-CB 3.64Å; W403-R414 HydrophobicContact CD2-CG 4.01Å; W403-R414 VanDerWaalsContact CE3-CA 3.5Å; W403-R414 HydrophobicContact CE3-CB 3.64Å; W403-R414 HydrophobicContact CG-CB 4.32Å; W403-R414 HydrophobicContact CG-CG 4.39Å; W403-R414 HydrophobicContact CH2-CB 3.94Å; W403-R414 HydrophobicContact CZ2-CB 3.94Å; W403-R414 HydrophobicContact CZ2-CG 4.13Å; W403-R414 HydrophobicContact CZ3-CB 3.8Å
404Q65.5Low73.4Confident103 Ų10370.6 Ų70.648%0.48138%0.383SS..EExtended strand (participates in β ladder)trans-118.9155.8174.1-83.8176.9-2.200110.6C399 C412 Y413 V415C399-Q404 VanDerWaalsContact SG-C 3.51Å; Q404-C412 CarbonylContact O-C 3.6Å; Q404-C412 VanDerWaalsContact O-CA 3.28Å; Q404-C412 WeakPolarHBondContact O-CA 3.43Å; Q404-Y413 HydrophobicContact CB-CD2 4.22Å; Q404-Y413 HydrophobicContact CB-CE1 4.18Å; Q404-Y413 HydrophobicContact CB-CE2 3.55Å; Q404-Y413 HydrophobicContact CG-CE2 4.47Å; Q404-Y413 PolarHBondContact N-O 3.38Å; Q404-Y413 WeakPolarHBondContact O-CD1 3.24Å; Q404-Y413 PolarHBondContact O-N 3.02Å; Q404-Y413 PolarHBondContact OE1-OH 2.98Å; Q404-V415 HydrophobicContact CB-CG2 3.71Å; Q404-V415 HydrophobicContact CG-CG2 3.65Å
405I77.5Confident71.8Confident73 Ų7369.8 Ų69.837%0.37438%0.375SS..EExtended strand (participates in β ladder)trans-77.4139.9-179.8-164.2172.8000112.1C397 S411 Y413C397-I405 HydrophobicContact CB-CD1 4.06Å; C397-I405 WeakPolarHBondContact O-CD1 3.19Å; I405-S411 CarbonylContact C-O 3.47Å; I405-S411 WeakPolarHBondContact CA-O 3.33Å; I405-Y413 WeakPolarHBondContact O-CE1 3.4Å
406G72.2Confident69.6Low13 Ų1371.5 Ų71.513%0.13439%0.391CS..  trans-71.2163.6177.700000113.9D408 G409 S411G406-D408 PolarHBondContact O-N 2.94Å; G406-G409 PolarHBondContact O-N 3.46Å; G406-S411 PolarHBondContact N-O 3.31Å
407N66.6Low67.2Low181 Ų18176.2 Ų76.297%0.96841%0.411SS*.THydrogen-bonded Turntrans-60.4-10.9171.4-758.3000113.7
408D73.7Confident64.9Low87 Ų8780.9 Ų80.947%0.46543%0.432SS..THydrogen-bonded Turntrans-85.3-6.9173.867.2-17.6000113.2G406 K410 S411G406-D408 PolarHBondContact O-N 2.94Å; D408-K410 PolarHBondContact O-N 2.8Å; D408-K410 PolarHBondContact OD1-N 2.03Å; D408-S411 VanDerWaalsContact CG-N 3.3Å; D408-S411 WeakPolarHBondContact OD1-CB 3.32Å; D408-S411 PolarHBondContact OD1-N 3.43Å; D408-S411 VanDerWaalsContact OD2-CB 3.25Å; D408-S411 WeakPolarHBondContact OD2-CB 3.42Å; D408-S411 PolarHBondContact OD2-N 3.06Å; D408-S411 PolarHBondContact OD2-OG 2.97Å
409G72.4Confident63Low36 Ų3681.9 Ų81.937%0.37144%0.44SS..SBendtrans66.115.4-174.900000114.2C397 G406C397-G409 VanDerWaalsContact CB-O 3.32Å; C397-G409 WeakPolarHBondContact CB-O 3.24Å; C397-G409 PolarHBondContact SG-O 3.29Å; G406-G409 PolarHBondContact O-N 3.46Å
410K81.2Confident61.4Low83 Ų8385 Ų8536%0.36146%0.462SS..SBendtrans-139.9-37.2-172.5-65.2-166.6175.9-166.90114.4G382 Q385 Y395 D408G382-K410 PolarHBondContact O-NZ 3.44Å; Q385-K410 WeakPolarHBondContact CB-O 3.44Å; Q385-K410 PolarHBondContact N-O 2.78Å; Y395-K410 WeakPolarHBondContact OH-CE 3.01Å; Y395-K410 PolarHBondContact OH-NZ 3.33Å; D408-K410 PolarHBondContact O-N 2.8Å; D408-K410 PolarHBondContact OD1-N 2.03Å
411S79.9Confident60.7Low48 Ų4885.7 Ų85.734%0.33647%0.466SS..  trans-73.9156.1174.4-64.20000111.3Q385 I405 G406 D408Q385-S411 VanDerWaalsContact OE1-CA 3.3Å; I405-S411 CarbonylContact C-O 3.47Å; I405-S411 WeakPolarHBondContact CA-O 3.33Å; G406-S411 PolarHBondContact N-O 3.31Å; D408-S411 VanDerWaalsContact CG-N 3.3Å; D408-S411 WeakPolarHBondContact OD1-CB 3.32Å; D408-S411 PolarHBondContact OD1-N 3.43Å; D408-S411 VanDerWaalsContact OD2-CB 3.25Å; D408-S411 WeakPolarHBondContact OD2-CB 3.42Å; D408-S411 PolarHBondContact OD2-N 3.06Å; D408-S411 PolarHBondContact OD2-OG 2.97Å
412C76.7Confident60.9Low5 Ų581.3 Ų81.33%0.03444%0.438CS..EExtended strand (participates in β ladder)trans-128.1120.9171.9-71.10000109.5Q385 Q386 C399 W403 Q404Q385-C412 PolarHBondContact NE2-O 3.45Å; Q385-C412 PolarHBondContact OE1-O 3.33Å; Q386-C412 HydrophobicContact CB-CB 4.46Å; Q386-C412 HydrophobicContact CG-CB 3.81Å; C399-C412 VanDerWaalsContact CA-SG 3.51Å; C399-C412 HydrophobicContact CB-CB 3.84Å; C399-C412 WeakPolarHBondContact CB-SG 3.27Å; C399-C412 WeakPolarHBondContact SG-CB 3.45Å; C399-C412 CovalentContact SG-SG 2.04Å; C399-C412 PolarHBondContact SG-SG 2.62Å; W403-C412 HydrophobicContact CB-CB 4.45Å; W403-C412 HydrophobicContact CE3-CB 4.33Å; W403-C412 VanDerWaalsContact CE3-O 3.3Å; W403-C412 WeakPolarHBondContact CZ3-O 3.26Å; Q404-C412 CarbonylContact O-C 3.6Å; Q404-C412 VanDerWaalsContact O-CA 3.28Å; Q404-C412 WeakPolarHBondContact O-CA 3.43Å
413Y64.6Low62Low112 Ų11280.2 Ų80.244%0.43942%0.422SS..EExtended strand (participates in β ladder)trans-103.8139174.958.5-96.3000111.2W403 Q404 I405 V415W403-Y413 CarbonylContact C-O 3.37Å; W403-Y413 VanDerWaalsContact CA-O 3.23Å; W403-Y413 WeakPolarHBondContact CA-O 3.41Å; W403-Y413 VanDerWaalsContact CE3-C 3.43Å; Q404-Y413 HydrophobicContact CB-CD2 4.22Å; Q404-Y413 HydrophobicContact CB-CE1 4.18Å; Q404-Y413 HydrophobicContact CB-CE2 3.55Å; Q404-Y413 HydrophobicContact CG-CE2 4.47Å; Q404-Y413 PolarHBondContact N-O 3.38Å; Q404-Y413 WeakPolarHBondContact O-CD1 3.24Å; Q404-Y413 PolarHBondContact O-N 3.02Å; Q404-Y413 PolarHBondContact OE1-OH 2.98Å; I405-Y413 WeakPolarHBondContact O-CE1 3.4Å; Y413-V415 HydrophobicContact CD2-CG2 3.75Å; Y413-V415 HydrophobicContact CE2-CG2 3.53Å; Y413-V415 PolarHBondContact O-N 3.3Å
414R51.5Low61.6Low164 Ų16481.5 Ų81.562%0.61943%0.427SS*.EExtended strand (participates in β ladder)trans-75.9115.9-176.6-169.6-170.766.9169.6-0.1110G402 W403 V416G402-R414 WeakPolarHBondContact O-CG 3.39Å; W403-R414 HydrophobicContact CD2-CB 3.64Å; W403-R414 HydrophobicContact CD2-CG 4.01Å; W403-R414 VanDerWaalsContact CE3-CA 3.5Å; W403-R414 HydrophobicContact CE3-CB 3.64Å; W403-R414 HydrophobicContact CG-CB 4.32Å; W403-R414 HydrophobicContact CG-CG 4.39Å; W403-R414 HydrophobicContact CH2-CB 3.94Å; W403-R414 HydrophobicContact CZ2-CB 3.94Å; W403-R414 HydrophobicContact CZ2-CG 4.13Å; W403-R414 HydrophobicContact CZ3-CB 3.8Å; R414-V416 HydrophobicContact CG-CG2 4.48Å
415V44.1Very low61.2Low44 Ų4483.9 Ų83.927%0.26744%0.436SS..  trans-89.1122177.3175.40000109.1G402 Q404 Y413 L417G402-V415 PolarHBondContact O-N 2.86Å; Q404-V415 HydrophobicContact CB-CG2 3.71Å; Q404-V415 HydrophobicContact CG-CG2 3.65Å; Y413-V415 HydrophobicContact CD2-CG2 3.75Å; Y413-V415 HydrophobicContact CE2-CG2 3.53Å; Y413-V415 PolarHBondContact O-N 3.3Å; V415-L417 WeakPolarHBondContact CG1-O 3.47Å
416V38.7Very low60.5Low93 Ų9387.3 Ų87.356%0.56446%0.455SS*.  trans-112.1107.8176.8-175.70000106.4R414R414-V416 HydrophobicContact CG-CG2 4.48Å
417L33.8Very low60.6Low149 Ų14989.2 Ų89.278%0.7846%0.463SS*.SBendtrans73.7134.1-167.1-48.4138.9000111.3V415V415-L417 WeakPolarHBondContact CG1-O 3.47Å
418E36.5Very low60.9Low112 Ų11281.3 Ų81.352%0.52342%0.423SS..  cis-124.916214.2-72.9163.3-13800113.6S420 P732E418-S420 PolarHBondContact O-N 3.24Å; E418-S420 VanDerWaalsContact O-N 3.09Å; E418-P732 WeakPolarHBondContact OE1-CB 3.24Å; E418-P732 WeakPolarHBondContact OE1-CG 2.96Å; E418-P732 VanDerWaalsContact OE2-CG 3.24Å; E418-P732 WeakPolarHBondContact OE2-CG 3.34Å
419V41.5Very low61.1Low99 Ų9978 Ų7860%0.641%0.409SS*.  trans-84.681.5179.6-170.90000110.8D421 R436V419-D421 PolarHBondContact O-N 2.85Å; V419-R436 PolarHBondContact O-NH1 3.12Å
420S48Very low61.7Low78 Ų7876.6 Ų76.655%0.54539%0.394SS..  trans-54.1130.1166.355.70000110.3E418 P422E418-S420 PolarHBondContact O-N 3.24Å; E418-S420 VanDerWaalsContact O-N 3.09Å; S420-P422 WeakPolarHBondContact O-CD 3.42Å
421D59.8Low61.8Low48 Ų4876.1 Ų76.126%0.25740%0.398SS..  trans-58.3117.6173.3173.116.3000110.6V419 C423 R424V419-D421 PolarHBondContact O-N 2.85Å; D421-C423 PolarHBondContact O-N 2.55Å; D421-C423 PolarHBondContact OD1-N 2.04Å; D421-R424 HydrophobicContact CB-CG 4.04Å; D421-R424 WeakPolarHBondContact O-CB 3.03Å; D421-R424 PolarHBondContact O-N 3.13Å; D421-R424 VanDerWaalsContact O-N 3.09Å
422P64.7Low62.1Low32 Ų3276.6 Ų76.621%0.20840%0.395CS..G310 helixtrans-65-23-173.828.2-36.9000112.6S420 R424 G428 A442S420-P422 WeakPolarHBondContact O-CD 3.42Å; P422-R424 PolarHBondContact O-N 3.08Å; P422-G428 WeakPolarHBondContact O-CA 3.07Å; P422-G428 PolarHBondContact O-N 2.92Å; P422-A442 HydrophobicContact CB-CB 3.88Å; P422-A442 HydrophobicContact CG-CB 3.91Å
423C75.6Confident62.4Low24 Ų2480 Ų8016%0.16241%0.412CS..G310 helixtrans-69.5-9.9176.2-60.90000113.7D421 N427 C434 S435D421-C423 PolarHBondContact O-N 2.55Å; D421-C423 PolarHBondContact OD1-N 2.04Å; C423-N427 WeakPolarHBondContact O-CA 3.38Å; C423-C434 WeakPolarHBondContact CA-SG 3.47Å; C423-C434 HydrophobicContact CB-CB 3.6Å; C423-C434 WeakPolarHBondContact CB-SG 3.13Å; C423-C434 WeakPolarHBondContact SG-CB 3.3Å; C423-C434 PolarHBondContact SG-O 3.21Å; C423-C434 CovalentContact SG-SG 2.04Å; C423-C434 PolarHBondContact SG-SG 3.07Å; C423-S435 VanDerWaalsContact SG-C 3.59Å
424R68.6Low63.3Low127 Ų12775.6 Ų75.648%0.47940%0.398SS..G310 helixtrans-78.6-18.6-179.8-72.7-176.2157.3-158.5-12.2115.5D421 P422 H728 L729D421-R424 HydrophobicContact CB-CG 4.04Å; D421-R424 WeakPolarHBondContact O-CB 3.03Å; D421-R424 PolarHBondContact O-N 3.13Å; D421-R424 VanDerWaalsContact O-N 3.09Å; P422-R424 PolarHBondContact O-N 3.08Å; R424-H728 PolarHBondContact NH2-NE2 2.87Å; R424-L729 VanDerWaalsContact NH1-CD1 3.33Å
425F57.9Low64.6Low153 Ų15370.1 Ų70.167%0.67138%0.384SS*.SBendtrans-119.1123.9-179.2-66.9-80.2000108.8N427 G428F425-N427 PolarHBondContact O-N 3.37Å; F425-G428 PolarHBondContact O-N 3.11Å
426D62.6Low65.6Low146 Ų14674 Ų7478%0.78139%0.394SS*.G310 helixtrans51.430.2-178.7-156.937.8000113.5G428 G429D426-G428 PolarHBondContact O-N 3Å; D426-G429 WeakPolarHBondContact O-CA 3.48Å; D426-G429 PolarHBondContact O-N 3.46Å
427N74.8Confident67Low53 Ų5370.6 Ų70.628%0.28337%0.374SS..G310 helixtrans50.137.4-172.4-165.633000113.2C423 F425 G429 C430 H432 C434C423-N427 WeakPolarHBondContact O-CA 3.38Å; F425-N427 PolarHBondContact O-N 3.37Å; N427-G429 PolarHBondContact O-N 3.22Å; N427-C430 WeakPolarHBondContact CB-O 3.49Å; N427-C430 PolarHBondContact ND2-O 2.94Å; N427-C430 WeakPolarHBondContact O-CB 3.46Å; N427-C430 PolarHBondContact O-N 3.33Å; N427-C430 PolarHBondContact O-SG 3.17Å; N427-H432 PolarHBondContact ND2-O 3.07Å; N427-C434 VanDerWaalsContact O-CB 3.26Å; N427-C434 WeakPolarHBondContact O-CB 3.09Å; N427-C434 VanDerWaalsContact OD1-CB 3.28Å; N427-C434 WeakPolarHBondContact OD1-CB 3.05Å
428G72.6Confident68.1Low14 Ų1472 Ų7214%0.14438%0.382CS..G310 helixtrans69.96-174.600000114.9P422 F425 D426P422-G428 WeakPolarHBondContact O-CA 3.07Å; P422-G428 PolarHBondContact O-N 2.92Å; F425-G428 PolarHBondContact O-N 3.11Å; D426-G428 PolarHBondContact O-N 3Å
429G78.1Confident68.8Low17 Ų1771.2 Ų71.218%0.17539%0.389CS..G310 helixtrans85.79.4-166.200000113.9D426 N427 R457D426-G429 WeakPolarHBondContact O-CA 3.48Å; D426-G429 PolarHBondContact O-N 3.46Å; N427-G429 PolarHBondContact O-N 3.22Å; G429-R457 VanDerWaalsContact O-CB 3.24Å; G429-R457 WeakPolarHBondContact O-CB 3.4Å; G429-R457 WeakPolarHBondContact O-CD 3.03Å; G429-R457 VanDerWaalsContact O-CG 3.28Å; G429-R457 WeakPolarHBondContact O-CG 3.4Å
430C85.3Confident69.5Low7 Ų767.5 Ų67.55%0.04737%0.371CS..  trans-90.6137.7178.1-48.30000110.7N427 C434 C444N427-C430 WeakPolarHBondContact CB-O 3.49Å; N427-C430 PolarHBondContact ND2-O 2.94Å; N427-C430 WeakPolarHBondContact O-CB 3.46Å; N427-C430 PolarHBondContact O-N 3.33Å; N427-C430 PolarHBondContact O-SG 3.17Å; C430-C434 HydrophobicContact CB-CB 4.22Å; C430-C444 WeakPolarHBondContact CA-SG 3.48Å; C430-C444 HydrophobicContact CB-CB 3.58Å; C430-C444 WeakPolarHBondContact CB-SG 3.01Å; C430-C444 WeakPolarHBondContact SG-CA 3.36Å; C430-C444 WeakPolarHBondContact SG-CB 3.47Å; C430-C444 CovalentContact SG-SG 2.03Å; C430-C444 PolarHBondContact SG-SG 3.22Å
431T83.4Confident70.4Confident73 Ų7367.4 Ų67.445%0.44837%0.367SS..SBendtrans-73.2-34.4178.261.40000113.1R457 T458 C459T431-R457 PolarHBondContact N-O 2.79Å; T431-T458 HydrophobicContact CG2-CG2 4.32Å; T431-C459 VanDerWaalsContact OG1-CB 3.3Å; T431-C459 WeakPolarHBondContact OG1-CB 3.37Å; T431-C459 PolarHBondContact OG1-N 2.78Å
432H84.4Confident70.8Confident58 Ų5866.8 Ų66.827%0.26937%0.369SS..SBendtrans-110.8-80.8-175.9-72.5-178.4000113.6N427 Y450 C459N427-H432 PolarHBondContact ND2-O 3.07Å; H432-Y450 AromaticContact CE1-CD1 3.35Å; H432-Y450 WeakPolarHBondContact CE1-CD1 3.31Å; H432-Y450 AromaticContact CE1-CD2 3.53Å; H432-Y450 AromaticContact CE1-CE1 3.5Å; H432-Y450 AromaticContact CE1-CE2 3.67Å; H432-Y450 AromaticContact CE1-CG 3.39Å; H432-Y450 AromaticContact CE1-CZ 3.67Å; H432-Y450 AromaticContact ND1-CG 3.87Å; H432-C459 HydrophobicContact CB-CB 4.43Å; H432-C459 WeakPolarHBondContact ND1-CB 3.12Å
433I83Confident71.6Confident76 Ų7669 Ų6939%0.3938%0.376SS..EExtended strand (participates in β ladder)trans-116.5130.3-172.3-56.2166.8000109C444 S445I433-C444 WeakPolarHBondContact O-CA 3.21Å; I433-S445 WeakPolarHBondContact CB-O 3.44Å; I433-S445 WeakPolarHBondContact CB-OG 3.42Å; I433-S445 WeakPolarHBondContact CG2-OG 3.35Å; I433-S445 PolarHBondContact N-O 2.02Å; I433-S445 PolarHBondContact O-N 2.9Å
434C84.3Confident72.1Confident21 Ų2168.7 Ų68.714%0.14237%0.374CS..EExtended strand (participates in β ladder)trans-112.1133.4170.9-178.90000110.7C423 N427 C430 A442 E443C423-C434 WeakPolarHBondContact CA-SG 3.47Å; C423-C434 HydrophobicContact CB-CB 3.6Å; C423-C434 WeakPolarHBondContact CB-SG 3.13Å; C423-C434 WeakPolarHBondContact SG-CB 3.3Å; C423-C434 PolarHBondContact SG-O 3.21Å; C423-C434 CovalentContact SG-SG 2.04Å; C423-C434 PolarHBondContact SG-SG 3.07Å; N427-C434 VanDerWaalsContact O-CB 3.26Å; N427-C434 WeakPolarHBondContact O-CB 3.09Å; N427-C434 VanDerWaalsContact OD1-CB 3.28Å; N427-C434 WeakPolarHBondContact OD1-CB 3.05Å; C430-C434 HydrophobicContact CB-CB 4.22Å; C434-A442 VanDerWaalsContact SG-CB 3.52Å; C434-E443 WeakPolarHBondContact CA-O 3.33Å
435S79.3Confident72.9Confident48 Ų4865 Ų6534%0.33637%0.368SS..EExtended strand (participates in β ladder)trans-116.4138.1170.843.10000111.1C423 E443C423-S435 VanDerWaalsContact SG-C 3.59Å; S435-E443 PolarHBondContact N-O 2.83Å; S435-E443 PolarHBondContact O-N 3.06Å; S435-E443 PolarHBondContact OG-O 3.46Å
436R65.7Low74.2Confident125 Ų12559.2 Ų59.247%0.47235%0.346SS..EExtended strand (participates in β ladder)trans-86.4121.4175.5174.2178.1169.1151.61.9110.1V419V419-R436 PolarHBondContact O-NH1 3.12Å
437T67.3Low75.2Confident23 Ų2354.2 Ų54.214%0.14132%0.323CS..  trans-78.6161.5173.655.80000112.6S439 G440 T441 E443T437-S439 PolarHBondContact O-N 2.66Å; T437-S439 PolarHBondContact OG1-OG 2.88Å; T437-G440 PolarHBondContact O-N 3.32Å; T437-T441 PolarHBondContact N-O 3.28Å; T437-T441 WeakPolarHBondContact OG1-CA 3.04Å; T437-T441 PolarHBondContact OG1-N 2.97Å; T437-T441 PolarHBondContact OG1-O 2.86Å; T437-T441 PolarHBondContact OG1-OG1 3.16Å; T437-E443 HydrophobicContact CG2-CB 4.01Å
438D56.9Low75.3Confident177 Ų17757.6 Ų57.695%0.94735%0.348SS*.THydrogen-bonded Turntrans-58.3-29173.8-72.4-33.9000113.1G440D438-G440 PolarHBondContact O-N 2.99Å
439S51.4Low75.6Confident96 Ų9657.7 Ų57.767%0.67135%0.349SS*.THydrogen-bonded Turntrans-74.2-4.517445.30000114.2T437 T441T437-S439 PolarHBondContact O-N 2.66Å; T437-S439 PolarHBondContact OG1-OG 2.88Å; S439-T441 VanDerWaalsContact C-N 3.34Å; S439-T441 PolarHBondContact OG-OG1 2.02Å
440G56.6Low76Confident22 Ų2259.4 Ų59.423%0.22735%0.35CS..SBendtrans77.516.9-177.800000114.3T437 D438T437-G440 PolarHBondContact O-N 3.32Å; D438-G440 PolarHBondContact O-N 2.99Å
441T66.6Low75.9Confident75 Ų7561.9 Ų61.946%0.4636%0.363SS..  trans-96.5154.7173.637.50000112T437 S439T437-T441 PolarHBondContact N-O 3.28Å; T437-T441 WeakPolarHBondContact OG1-CA 3.04Å; T437-T441 PolarHBondContact OG1-N 2.97Å; T437-T441 PolarHBondContact OG1-O 2.86Å; T437-T441 PolarHBondContact OG1-OG1 3.16Å; S439-T441 VanDerWaalsContact C-N 3.34Å; S439-T441 PolarHBondContact OG-OG1 2.02Å
442A67.4Low75.9Confident35 Ų3562 Ų6229%0.28936%0.36SS..EExtended strand (participates in β ladder)trans-84.5137.7172.600000110.8P422 C434P422-A442 HydrophobicContact CB-CB 3.88Å; P422-A442 HydrophobicContact CG-CB 3.91Å; C434-A442 VanDerWaalsContact SG-CB 3.52Å
443E82.7Confident75.8Confident79 Ų7963.6 Ų63.637%0.36937%0.368SS..EExtended strand (participates in β ladder)trans-124.7136.9174.1178.1172.8-154.300108.6C434 S435 T437C434-E443 WeakPolarHBondContact CA-O 3.33Å; S435-E443 PolarHBondContact N-O 2.83Å; S435-E443 PolarHBondContact O-N 3.06Å; S435-E443 PolarHBondContact OG-O 3.46Å; T437-E443 HydrophobicContact CG2-CB 4.01Å
444C86Confident75.4Confident18 Ų1865.3 Ų65.312%0.12239%0.393CS..EExtended strand (participates in β ladder)trans-105.7141-171.8-55.90000112.4C430 I433 L452 G456C430-C444 WeakPolarHBondContact CA-SG 3.48Å; C430-C444 HydrophobicContact CB-CB 3.58Å; C430-C444 WeakPolarHBondContact CB-SG 3.01Å; C430-C444 WeakPolarHBondContact SG-CA 3.36Å; C430-C444 WeakPolarHBondContact SG-CB 3.47Å; C430-C444 CovalentContact SG-SG 2.03Å; C430-C444 PolarHBondContact SG-SG 3.22Å; I433-C444 WeakPolarHBondContact O-CA 3.21Å; C444-L452 HydrophobicContact CB-CD1 4.21Å; C444-G456 VanDerWaalsContact CB-O 3.23Å; C444-G456 WeakPolarHBondContact CB-O 3.21Å; C444-G456 PolarHBondContact SG-O 3.13Å
445S85.1Confident74.7Confident49 Ų4968.2 Ų68.234%0.34341%0.407SS..EExtended strand (participates in β ladder)trans-140.3162.5171.453.70000111.2I433I433-S445 WeakPolarHBondContact CB-O 3.44Å; I433-S445 WeakPolarHBondContact CB-OG 3.42Å; I433-S445 WeakPolarHBondContact CG2-OG 3.35Å; I433-S445 PolarHBondContact N-O 2.02Å; I433-S445 PolarHBondContact O-N 2.9Å
446C85.7Confident74.6Confident31 Ų3167.7 Ų67.721%0.20941%0.41CS..  trans-110141.8-174.7-59.50000112L452 C459C446-L452 VanDerWaalsContact SG-CA 3.58Å; C446-C459 WeakPolarHBondContact CA-SG 3.44Å; C446-C459 HydrophobicContact CB-CB 3.84Å; C446-C459 WeakPolarHBondContact CB-SG 3.01Å; C446-C459 WeakPolarHBondContact SG-CB 3.49Å; C446-C459 CovalentContact SG-SG 2.03Å; C446-C459 PolarHBondContact SG-SG 3.1Å
447S82Confident75.3Confident42 Ų4267.9 Ų67.929%0.29441%0.411SS..  trans-51.8149.7161.6-51.60000111.2Y450S447-Y450 PolarHBondContact O-N 3.32Å
448P77.8Confident76.1Confident124 Ų12469.6 Ų69.681%0.80542%0.421SS*.THydrogen-bonded Turntrans-51.7145169.7-25.234.9000111.8Y450P448-Y450 WeakPolarHBondContact O-CD2 3.23Å
449G78.7Confident77.5Confident16 Ų1661.8 Ų61.817%0.16538%0.38CS..THydrogen-bonded Turntrans883.4-17300000114.8R462G449-R462 WeakPolarHBondContact O-CB 3.26Å; G449-R462 PolarHBondContact O-N 2.84Å
450Y87.1Confident79Confident52 Ų5259.1 Ų59.120%0.20436%0.362CS..EExtended strand (participates in β ladder)trans-137.9148.8-177.5-62.4-103.4000112.9H432 S447 P448 S460 D461 P483 G484H432-Y450 AromaticContact CE1-CD1 3.35Å; H432-Y450 WeakPolarHBondContact CE1-CD1 3.31Å; H432-Y450 AromaticContact CE1-CD2 3.53Å; H432-Y450 AromaticContact CE1-CE1 3.5Å; H432-Y450 AromaticContact CE1-CE2 3.67Å; H432-Y450 AromaticContact CE1-CG 3.39Å; H432-Y450 AromaticContact CE1-CZ 3.67Å; H432-Y450 AromaticContact ND1-CG 3.87Å; S447-Y450 PolarHBondContact O-N 3.32Å; P448-Y450 WeakPolarHBondContact O-CD2 3.23Å; Y450-S460 CarbonylContact C-O 3.56Å; Y450-S460 WeakPolarHBondContact CA-O 3.27Å; Y450-S460 WeakPolarHBondContact CB-O 3.06Å; Y450-S460 VanDerWaalsContact CD1-C 3.48Å; Y450-D461 HydrophobicContact CD1-CB 4.32Å; Y450-D461 HydrophobicContact CE1-CB 4.15Å; Y450-P483 PolarHBondContact OH-O 3.45Å; Y450-G484 PolarHBondContact OH-N 2.87Å
451D82.7Confident80.3Confident60 Ų6060.7 Ų60.732%0.32137%0.365SS..EExtended strand (participates in β ladder)trans-112138.3177.4-78.2-62.1000112.2C459 S460 R462D451-C459 WeakPolarHBondContact O-CA 3.46Å; D451-S460 PolarHBondContact N-O 3.43Å; D451-S460 PolarHBondContact O-N 3.1Å; D451-S460 PolarHBondContact O-OG 3.09Å; D451-R462 VanDerWaalsContact CG-NH2 3.33Å; D451-R462 IonicContact OD1-CZ 2.67Å; D451-R462 IonicContact OD1-NE 3.69Å; D451-R462 IonicContact OD1-NH2 2.64Å; D451-R462 PolarHBondContact OD1-NH2 2.93Å; D451-R462 IonicContact OD2-CZ 2.73Å; D451-R462 IonicContact OD2-NE 2.65Å; D451-R462 PolarHBondContact OD2-NE 3.03Å; D451-R462 IonicContact OD2-NH2 2.69Å; D451-R462 PolarHBondContact OD2-NH2 2.6Å; D451-R462 VanDerWaalsContact OD2-NH2 3.12Å
452L82.5Confident81.1Confident75 Ų7560.7 Ų60.739%0.39336%0.356SS..EExtended strand (participates in β ladder)trans-79.3126.5178.8-168.570.7000110.8C444 C446C444-L452 HydrophobicContact CB-CD1 4.21Å; C446-L452 VanDerWaalsContact SG-CA 3.58Å
453Q82.7Confident81.8Confident92 Ų9261.4 Ų61.443%0.4336%0.355SS..  trans-78.9168.4-176.8-69.9-63.5-35.700113.3D455 G456 T458 S460Q453-D455 PolarHBondContact O-N 3.46Å; Q453-G456 PolarHBondContact O-N 2.82Å; Q453-T458 VanDerWaalsContact CB-O 3.25Å; Q453-T458 WeakPolarHBondContact CB-O 3.47Å; Q453-T458 HydrophobicContact CG-CG2 4.28Å; Q453-T458 WeakPolarHBondContact CG-O 3.41Å; Q453-T458 PolarHBondContact N-O 3.35Å; Q453-S460 PolarHBondContact NE2-OG 3.44Å
454A74.8Confident82Confident111 Ų11159.1 Ų59.192%0.91734%0.344SS*.THydrogen-bonded Turntrans-67-3.2-175.300000115.2G456A454-G456 VanDerWaalsContact C-N 3.32Å
455D69.1Low81.9Confident82 Ų8260.2 Ų60.244%0.43935%0.352SS..THydrogen-bonded Turntrans-83.5-8.916965.9-7.9000113Q453 R457 T458Q453-D455 PolarHBondContact O-N 3.46Å; D455-R457 VanDerWaalsContact C-N 3.25Å; D455-R457 HydrophobicContact CB-CB 4.5Å; D455-R457 PolarHBondContact O-N 3.38Å; D455-R457 PolarHBondContact OD1-N 3Å; D455-T458 PolarHBondContact OD1-N 3.31Å; D455-T458 VanDerWaalsContact OD2-CB 3.27Å; D455-T458 WeakPolarHBondContact OD2-CB 3.03Å; D455-T458 PolarHBondContact OD2-N 2.86Å; D455-T458 PolarHBondContact OD2-OG1 2.81Å
456G77.1Confident81.8Confident38 Ų3863.5 Ų63.539%0.39237%0.37SS..SBendtrans67.722.6-175.200000113.4C444 Q453 A454C444-G456 VanDerWaalsContact CB-O 3.23Å; C444-G456 WeakPolarHBondContact CB-O 3.21Å; C444-G456 PolarHBondContact SG-O 3.13Å; Q453-G456 PolarHBondContact O-N 2.82Å; A454-G456 VanDerWaalsContact C-N 3.32Å
457R81.5Confident81.3Confident129 Ų12966.7 Ų66.749%0.48738%0.384SS..SBendtrans-143-43.6-167.6-79.2-179.8177.1-143.6-8.6114.6G429 T431 D455G429-R457 VanDerWaalsContact O-CB 3.24Å; G429-R457 WeakPolarHBondContact O-CB 3.4Å; G429-R457 WeakPolarHBondContact O-CD 3.03Å; G429-R457 VanDerWaalsContact O-CG 3.28Å; G429-R457 WeakPolarHBondContact O-CG 3.4Å; T431-R457 PolarHBondContact N-O 2.79Å; D455-R457 VanDerWaalsContact C-N 3.25Å; D455-R457 HydrophobicContact CB-CB 4.5Å; D455-R457 PolarHBondContact O-N 3.38Å; D455-R457 PolarHBondContact OD1-N 3Å
458T83.5Confident80.7Confident59 Ų5967.6 Ų67.636%0.36240%0.4SS..PPolyproline II helixtrans-88.3124.4-175-60.60000110.7T431 Q453 D455T431-T458 HydrophobicContact CG2-CG2 4.32Å; Q453-T458 VanDerWaalsContact CB-O 3.25Å; Q453-T458 WeakPolarHBondContact CB-O 3.47Å; Q453-T458 HydrophobicContact CG-CG2 4.28Å; Q453-T458 WeakPolarHBondContact CG-O 3.41Å; Q453-T458 PolarHBondContact N-O 3.35Å; D455-T458 PolarHBondContact OD1-N 3.31Å; D455-T458 VanDerWaalsContact OD2-CB 3.27Å; D455-T458 WeakPolarHBondContact OD2-CB 3.03Å; D455-T458 PolarHBondContact OD2-N 2.86Å; D455-T458 PolarHBondContact OD2-OG1 2.81Å
459C87.3Confident80.6Confident13 Ų1364.6 Ų64.69%0.08838%0.375CS..EExtended strand (participates in β ladder)trans-93.7119.5168.6-60.90000109.7T431 H432 C446 D451T431-C459 VanDerWaalsContact OG1-CB 3.3Å; T431-C459 WeakPolarHBondContact OG1-CB 3.37Å; T431-C459 PolarHBondContact OG1-N 2.78Å; H432-C459 HydrophobicContact CB-CB 4.43Å; H432-C459 WeakPolarHBondContact ND1-CB 3.12Å; C446-C459 WeakPolarHBondContact CA-SG 3.44Å; C446-C459 HydrophobicContact CB-CB 3.84Å; C446-C459 WeakPolarHBondContact CB-SG 3.01Å; C446-C459 WeakPolarHBondContact SG-CB 3.49Å; C446-C459 CovalentContact SG-SG 2.03Å; C446-C459 PolarHBondContact SG-SG 3.1Å; D451-C459 WeakPolarHBondContact O-CA 3.46Å
460S83Confident80.3Confident40 Ų4064.8 Ų64.828%0.2838%0.375SS..EExtended strand (participates in β ladder)trans-98.1145172.260.70000110.9Y450 D451 Q453Y450-S460 CarbonylContact C-O 3.56Å; Y450-S460 WeakPolarHBondContact CA-O 3.27Å; Y450-S460 WeakPolarHBondContact CB-O 3.06Å; Y450-S460 VanDerWaalsContact CD1-C 3.48Å; D451-S460 PolarHBondContact N-O 3.43Å; D451-S460 PolarHBondContact O-N 3.1Å; D451-S460 PolarHBondContact O-OG 3.09Å; Q453-S460 PolarHBondContact NE2-OG 3.44Å
461D83.3Confident79.9Confident54 Ų5467.2 Ų67.229%0.28939%0.387SS..EExtended strand (participates in β ladder)trans-53.3141170.9-17857.5000111.9Y450 N481 P483 G484Y450-D461 HydrophobicContact CD1-CB 4.32Å; Y450-D461 HydrophobicContact CE1-CB 4.15Å; D461-N481 PolarHBondContact OD2-ND2 2.81Å; D461-P483 WeakPolarHBondContact OD1-CA 3.28Å; D461-G484 PolarHBondContact OD1-N 3.45Å
462R82.5Confident79.8Confident76 Ų7665.8 Ų65.829%0.28738%0.381SS..  trans-104.296.7175.7179.8-169.7-79.2-155.41.9109.3G449 D451 E464 I467 E469G449-R462 WeakPolarHBondContact O-CB 3.26Å; G449-R462 PolarHBondContact O-N 2.84Å; D451-R462 VanDerWaalsContact CG-NH2 3.33Å; D451-R462 IonicContact OD1-CZ 2.67Å; D451-R462 IonicContact OD1-NE 3.69Å; D451-R462 IonicContact OD1-NH2 2.64Å; D451-R462 PolarHBondContact OD1-NH2 2.93Å; D451-R462 IonicContact OD2-CZ 2.73Å; D451-R462 IonicContact OD2-NE 2.65Å; D451-R462 PolarHBondContact OD2-NE 3.03Å; D451-R462 IonicContact OD2-NH2 2.69Å; D451-R462 PolarHBondContact OD2-NH2 2.6Å; D451-R462 VanDerWaalsContact OD2-NH2 3.12Å; R462-E464 HydrophobicContact CG-CG 4.4Å; R462-E464 WeakPolarHBondContact O-CG 3.41Å; R462-E464 PolarHBondContact O-N 3.05Å; R462-I467 HydrophobicContact CG-CD1 3.5Å; R462-I467 VanDerWaalsContact CG-CD1 3.5Å; R462-E469 IonicContact CZ-OE2 3.9Å; R462-E469 IonicContact NH1-OE2 3.44Å; R462-E469 PolarHBondContact NH1-OE2 3.33Å
463D83.2Confident79.6Confident50 Ų5067.8 Ų67.827%0.26738%0.384SS..  trans-63.794.8175.8-171.3-33.6000111.9C465 V466 I467D463-C465 VanDerWaalsContact C-N 3.25Å; D463-C465 PolarHBondContact O-N 2.86Å; D463-C465 WeakPolarHBondContact OD1-CA 3.47Å; D463-C465 WeakPolarHBondContact OD1-CB 3.3Å; D463-C465 PolarHBondContact OD1-N 2.04Å; D463-C465 VanDerWaalsContact OD1-N 3.08Å; D463-V466 HydrophobicContact CB-CB 4.18Å; D463-V466 HydrophobicContact CB-CG2 4.41Å; D463-V466 VanDerWaalsContact CG-CG2 3.49Å; D463-V466 PolarHBondContact O-N 3.02Å; D463-V466 PolarHBondContact OD1-N 2.85Å; D463-V466 VanDerWaalsContact OD2-CG2 3.32Å; D463-V466 WeakPolarHBondContact OD2-CG2 3.49Å; D463-I467 WeakPolarHBondContact O-CB 3.03Å; D463-I467 WeakPolarHBondContact O-CD1 3.37Å; D463-I467 VanDerWaalsContact O-CG1 3.27Å; D463-I467 WeakPolarHBondContact O-CG1 3.24Å; D463-I467 PolarHBondContact O-N 3.45Å
464E85.9Confident79.2Confident30 Ų3066.3 Ų66.314%0.1439%0.394CS..Hα-helixtrans-72.4-20.2-177.1-67.4133.9137.500112.6R462 G468 E469 A470 Y486R462-E464 HydrophobicContact CG-CG 4.4Å; R462-E464 WeakPolarHBondContact O-CG 3.41Å; R462-E464 PolarHBondContact O-N 3.05Å; E464-G468 WeakPolarHBondContact O-CA 3.43Å; E464-G468 PolarHBondContact O-N 3.08Å; E464-E469 HydrophobicContact CB-CB 4.4Å; E464-E469 HydrophobicContact CG-CB 4.36Å; E464-E469 PolarHBondContact O-N 3.33Å; E464-A470 HydrophobicContact CB-CB 4.05Å; E464-A470 WeakPolarHBondContact O-CB 3.38Å; E464-A470 PolarHBondContact O-N 3.33Å; E464-Y486 HydrophobicContact CB-CD1 3.78Å; E464-Y486 HydrophobicContact CB-CE1 4.31Å; E464-Y486 HydrophobicContact CB-CG 4.42Å; E464-Y486 HydrophobicContact CG-CD1 4.25Å; E464-Y486 WeakPolarHBondContact OE2-CD1 3.49Å
465C85.2Confident79Confident41 Ų4168 Ų6828%0.27738%0.382SS..Hα-helixtrans-71.7-40.4173.3-61.60000111.3D463 C479D463-C465 VanDerWaalsContact C-N 3.25Å; D463-C465 PolarHBondContact O-N 2.86Å; D463-C465 WeakPolarHBondContact OD1-CA 3.47Å; D463-C465 WeakPolarHBondContact OD1-CB 3.3Å; D463-C465 PolarHBondContact OD1-N 2.04Å; D463-C465 VanDerWaalsContact OD1-N 3.08Å; C465-C479 VanDerWaalsContact CA-SG 3.55Å; C465-C479 HydrophobicContact CB-CB 3.86Å; C465-C479 WeakPolarHBondContact CB-SG 3.03Å; C465-C479 WeakPolarHBondContact SG-CB 3.29Å; C465-C479 CovalentContact SG-SG 2.04Å; C465-C479 PolarHBondContact SG-SG 2.91Å
466V81.5Confident79.3Confident118 Ų11864.7 Ų64.772%0.71537%0.367SS*.Hα-helixtrans-77.5-37.8177.2170.60000112.1D463 G468D463-V466 HydrophobicContact CB-CB 4.18Å; D463-V466 HydrophobicContact CB-CG2 4.41Å; D463-V466 VanDerWaalsContact CG-CG2 3.49Å; D463-V466 PolarHBondContact O-N 3.02Å; D463-V466 PolarHBondContact OD1-N 2.85Å; D463-V466 VanDerWaalsContact OD2-CG2 3.32Å; D463-V466 WeakPolarHBondContact OD2-CG2 3.49Å; V466-G468 VanDerWaalsContact C-N 3.33Å
467I76.5Confident79.5Confident99 Ų9964.4 Ų64.451%0.50836%0.357SS..Hα-helixtrans-78.8-20.5-179.6-61.4164.2000111.5R462 D463 E469R462-I467 HydrophobicContact CG-CD1 3.5Å; R462-I467 VanDerWaalsContact CG-CD1 3.5Å; D463-I467 WeakPolarHBondContact O-CB 3.03Å; D463-I467 WeakPolarHBondContact O-CD1 3.37Å; D463-I467 VanDerWaalsContact O-CG1 3.27Å; D463-I467 WeakPolarHBondContact O-CG1 3.24Å; D463-I467 PolarHBondContact O-N 3.45Å; I467-E469 HydrophobicContact CG2-CG 3.98Å
468G69.9Low79.6Confident61 Ų6161.5 Ų61.563%0.62935%0.351SS*.THydrogen-bonded Turntrans8022.3-179.500000114E464 V466E464-G468 WeakPolarHBondContact O-CA 3.43Å; E464-G468 PolarHBondContact O-N 3.08Å; V466-G468 VanDerWaalsContact C-N 3.33Å
469E74.7Confident79.8Confident60 Ų6061 Ų6128%0.2835%0.349SS..  trans-87.9-12.8169.4-57.6-148.6112.100112.3R462 E464 I467 R1473R462-E469 IonicContact CZ-OE2 3.9Å; R462-E469 IonicContact NH1-OE2 3.44Å; R462-E469 PolarHBondContact NH1-OE2 3.33Å; E464-E469 HydrophobicContact CB-CB 4.4Å; E464-E469 HydrophobicContact CG-CB 4.36Å; E464-E469 PolarHBondContact O-N 3.33Å; I467-E469 HydrophobicContact CG2-CG 3.98Å; E469-R1473 VanDerWaalsContact CD-NH2 3.34Å; E469-R1473 IonicContact OE1-CZ 2.7Å; E469-R1473 IonicContact OE1-NH1 2.66Å; E469-R1473 PolarHBondContact OE1-NH1 2.98Å; E469-R1473 IonicContact OE1-NH2 2.62Å; E469-R1473 PolarHBondContact OE1-NH2 3.13Å; E469-R1473 IonicContact OE2-NH2 3.11Å; E469-R1473 PolarHBondContact OE2-NH2 3.38Å
470A73.1Confident79.7Confident21 Ų2162.5 Ų62.517%0.17436%0.356CS..  trans-66.4132.6174.900000112E464 C472 C479 Y486E464-A470 HydrophobicContact CB-CB 4.05Å; E464-A470 WeakPolarHBondContact O-CB 3.38Å; E464-A470 PolarHBondContact O-N 3.33Å; A470-C472 VanDerWaalsContact C-N 3.32Å; A470-C472 PolarHBondContact O-N 2.99Å; A470-C479 WeakPolarHBondContact CB-SG 3.38Å; A470-Y486 HydrophobicContact CB-CD1 4.12Å; A470-Y486 HydrophobicContact CB-CD2 3.66Å; A470-Y486 HydrophobicContact CB-CE1 4.24Å; A470-Y486 HydrophobicContact CB-CE2 3.81Å; A470-Y486 HydrophobicContact CB-CG 3.83Å
471K79.3Confident79.6Confident103 Ų10362.8 Ų62.845%0.44835%0.354SS..  trans-88.116-172.7-62.7166.6-165.8140.90114.2Y473 Y486 H501K471-Y473 WeakPolarHBondContact O-CD1 3.34Å; K471-Y473 WeakPolarHBondContact O-CE1 3Å; K471-Y473 PolarHBondContact O-N 2.96Å; K471-Y486 WeakPolarHBondContact CB-OH 3.2Å; K471-Y486 WeakPolarHBondContact CD-OH 3.15Å; K471-Y486 VanDerWaalsContact CG-OH 3.32Å; K471-Y486 WeakPolarHBondContact CG-OH 3.46Å; K471-Y486 PolarHBondContact N-OH 3.18Å; K471-Y486 VanDerWaalsContact N-OH 3.09Å; K471-H501 VanDerWaalsContact CD-NE2 3.3Å; K471-H501 WeakPolarHBondContact CD-NE2 3.11Å; K471-H501 WeakPolarHBondContact O-CB 3.21Å
472C80.4Confident79.4Confident29 Ų2963.4 Ų63.420%0.19636%0.355CS..  trans-68.9119178.9-50.40000110.1A470 V477 C479 C488 H501A470-C472 VanDerWaalsContact C-N 3.32Å; A470-C472 PolarHBondContact O-N 2.99Å; C472-V477 HydrophobicContact CB-CG1 4.23Å; C472-V477 HydrophobicContact CB-CG2 3.82Å; C472-C479 HydrophobicContact CB-CB 4.45Å; C472-C488 WeakPolarHBondContact CA-SG 3.02Å; C472-C488 HydrophobicContact CB-CB 3.93Å; C472-C488 WeakPolarHBondContact CB-SG 3.32Å; C472-C488 VanDerWaalsContact SG-CA 3.53Å; C472-C488 WeakPolarHBondContact SG-CB 3Å; C472-C488 CovalentContact SG-SG 2.04Å; C472-C488 PolarHBondContact SG-SG 3.43Å; C472-H501 CarbonylContact C-O 3.49Å; C472-H501 WeakPolarHBondContact CA-O 3.48Å
473Y78.2Confident79.3Confident117 Ų11765 Ų6546%0.45938%0.376SS..  trans-140.3148.8-177.656.4-110.1000112.7K471 D499 H501 S502K471-Y473 WeakPolarHBondContact O-CD1 3.34Å; K471-Y473 WeakPolarHBondContact O-CE1 3Å; K471-Y473 PolarHBondContact O-N 2.96Å; Y473-D499 WeakPolarHBondContact CE2-OD2 3.24Å; Y473-D499 PolarHBondContact OH-OD2 3.1Å; Y473-H501 HydrophobicContact CD1-CB 4.28Å; Y473-H501 HydrophobicContact CE1-CB 3.68Å; Y473-H501 HydrophobicContact CE2-CB 4.39Å; Y473-H501 PolarHBondContact N-O 3.1Å; Y473-S502 WeakPolarHBondContact O-CA 3.49Å; Y473-S502 WeakPolarHBondContact O-CB 3.23Å
474G73.1Confident78.8Confident62 Ų6263.5 Ų63.564%0.63937%0.372SS*.SBendtrans115.8-172.5178.400000113.2
475Q71.6Confident78.6Confident145 Ų14565.3 Ų65.368%0.67839%0.385SS*.SBendtrans-77.5159.9168.7-94.2171.7-68.300110.7V477Q475-V477 PolarHBondContact O-N 3.16Å
476A75.8Confident78.7Confident13 Ų1365 Ų6511%0.10738%0.379CS..SBendtrans59.45.2172.900000117.7Q491 F494 C503A476-Q491 HydrophobicContact CB-CB 4.16Å; A476-Q491 WeakPolarHBondContact O-CG 3.42Å; A476-Q491 PolarHBondContact O-N 3.31Å; A476-F494 HydrophobicContact CB-CB 4.13Å; A476-F494 HydrophobicContact CB-CD1 3.7Å; A476-F494 HydrophobicContact CB-CD2 3.29Å; A476-F494 HydrophobicContact CB-CE1 3.86Å; A476-F494 HydrophobicContact CB-CE2 3.45Å; A476-F494 VanDerWaalsContact CB-CE2 3.45Å; A476-F494 HydrophobicContact CB-CG 3.43Å; A476-F494 VanDerWaalsContact CB-CG 3.43Å; A476-F494 HydrophobicContact CB-CZ 3.74Å; A476-C503 HydrophobicContact CB-CB 4.26Å
477V80.9Confident78.9Confident32 Ų3264.2 Ų64.219%0.19436%0.363CS..EExtended strand (participates in β ladder)trans-89.5141.4-179.774.40000112.7C472 Q475 C488 E489C472-V477 HydrophobicContact CB-CG1 4.23Å; C472-V477 HydrophobicContact CB-CG2 3.82Å; Q475-V477 PolarHBondContact O-N 3.16Å; V477-C488 HydrophobicContact CG2-CB 3.81Å; V477-E489 CarbonylContact C-O 3.44Å; V477-E489 WeakPolarHBondContact CA-O 3.35Å
478I83.6Confident79.4Confident69 Ų6960.1 Ų60.135%0.35434%0.343SS..EExtended strand (participates in β ladder)trans-120.9132.7178.2-57.3174.7000107.8I480 C488 E489 Q491I478-I480 HydrophobicContact CG2-CG1 4.1Å; I478-C488 CarbonylContact O-C 3.27Å; I478-C488 WeakPolarHBondContact O-CA 3.28Å; I478-E489 HydrophobicContact CB-CB 4.49Å; I478-E489 PolarHBondContact N-O 3.29Å; I478-E489 PolarHBondContact O-N 2.04Å; I478-Q491 HydrophobicContact CD1-CG 3.89Å; I478-Q491 HydrophobicContact CG1-CG 4.2Å
479C87.4Confident80Confident47 Ų4761.2 Ų61.232%0.31833%0.331SS..EExtended strand (participates in β ladder)trans-93.4131.4173.2-166.90000109.8C465 A470 C472C465-C479 VanDerWaalsContact CA-SG 3.55Å; C465-C479 HydrophobicContact CB-CB 3.86Å; C465-C479 WeakPolarHBondContact CB-SG 3.03Å; C465-C479 WeakPolarHBondContact SG-CB 3.29Å; C465-C479 CovalentContact SG-SG 2.04Å; C465-C479 PolarHBondContact SG-SG 2.91Å; A470-C479 WeakPolarHBondContact CB-SG 3.38Å; C472-C479 HydrophobicContact CB-CB 4.45Å
480I84Confident80.5Confident45 Ų4559.7 Ų59.723%0.23133%0.327CS..EExtended strand (participates in β ladder)trans-128.3120178-57.8176.7000108.6I478 Y486 R487 E489I478-I480 HydrophobicContact CG2-CG1 4.1Å; I480-Y486 WeakPolarHBondContact O-CA 3.02Å; I480-R487 HydrophobicContact CB-CG 4.02Å; I480-R487 VanDerWaalsContact CD1-NH2 3.35Å; I480-R487 PolarHBondContact N-O 3.19Å; I480-R487 PolarHBondContact O-N 2.73Å; I480-E489 HydrophobicContact CD1-CB 3.88Å; I480-E489 HydrophobicContact CD1-CG 4.42Å; I480-E489 VanDerWaalsContact CD1-OE2 3.31Å; I480-E489 WeakPolarHBondContact CD1-OE2 3.45Å
481N82Confident80.8Confident46 Ų4663.7 Ų63.725%0.24634%0.342CS..EExtended strand (participates in β ladder)trans-78.9139176.3-17050.1000110.8D461 T485D461-N481 PolarHBondContact OD2-ND2 2.81Å; N481-T485 PolarHBondContact OD1-O 3.25Å
482E79.3Confident80.6Confident67 Ų6765.6 Ų65.631%0.31336%0.363SS..EExtended strand (participates in β ladder)trans-134.4143.2177.9-59.9-174.7140.800108.3G484 T485 R487E482-G484 PolarHBondContact O-N 2.77Å; E482-T485 CarbonylContact C-O 3.36Å; E482-T485 HydrophobicContact CB-CG2 3.94Å; E482-T485 PolarHBondContact N-O 2.89Å; E482-T485 CarbonylContact O-C 3.49Å; E482-T485 PolarHBondContact O-N 2.86Å; E482-R487 WeakPolarHBondContact OE1-CD 3.15Å; E482-R487 IonicContact OE1-CZ 3.08Å; E482-R487 IonicContact OE1-NE 3.9Å; E482-R487 IonicContact OE1-NH1 3.35Å; E482-R487 PolarHBondContact OE1-NH1 3.38Å
483P78.7Confident80.4Confident110 Ų11064.7 Ų64.771%0.71436%0.358SS*.THydrogen-bonded Turntrans-54.9101.9-172.9-30.237.4000114.8Y450 D461Y450-P483 PolarHBondContact OH-O 3.45Å; D461-P483 WeakPolarHBondContact OD1-CA 3.28Å
484G74Confident80.8Confident19 Ų1960.7 Ų60.720%0.19634%0.343CS..THydrogen-bonded Turntrans95.46.5-17600000117.4Y450 D461 E482Y450-G484 PolarHBondContact OH-N 2.87Å; D461-G484 PolarHBondContact OD1-N 3.45Å; E482-G484 PolarHBondContact O-N 2.77Å
485T82.3Confident81.3Confident68 Ų6863.3 Ų63.342%0.41733%0.334SS..EExtended strand (participates in β ladder)trans-165.4177.5178.2-167.10000112.2N481 E482N481-T485 PolarHBondContact OD1-O 3.25Å; E482-T485 CarbonylContact C-O 3.36Å; E482-T485 HydrophobicContact CB-CG2 3.94Å; E482-T485 PolarHBondContact N-O 2.89Å; E482-T485 CarbonylContact O-C 3.49Å; E482-T485 PolarHBondContact O-N 2.86Å
486Y86Confident81.7Confident35 Ų3560.5 Ų60.514%0.13732%0.323CS..EExtended strand (participates in β ladder)trans-130.7156166.965.8-80.9000111E464 A470 K471 I480E464-Y486 HydrophobicContact CB-CD1 3.78Å; E464-Y486 HydrophobicContact CB-CE1 4.31Å; E464-Y486 HydrophobicContact CB-CG 4.42Å; E464-Y486 HydrophobicContact CG-CD1 4.25Å; E464-Y486 WeakPolarHBondContact OE2-CD1 3.49Å; A470-Y486 HydrophobicContact CB-CD1 4.12Å; A470-Y486 HydrophobicContact CB-CD2 3.66Å; A470-Y486 HydrophobicContact CB-CE1 4.24Å; A470-Y486 HydrophobicContact CB-CE2 3.81Å; A470-Y486 HydrophobicContact CB-CG 3.83Å; K471-Y486 WeakPolarHBondContact CB-OH 3.2Å; K471-Y486 WeakPolarHBondContact CD-OH 3.15Å; K471-Y486 VanDerWaalsContact CG-OH 3.32Å; K471-Y486 WeakPolarHBondContact CG-OH 3.46Å; K471-Y486 PolarHBondContact N-OH 3.18Å; K471-Y486 VanDerWaalsContact N-OH 3.09Å; I480-Y486 WeakPolarHBondContact O-CA 3.02Å
487R86.2Confident81.7Confident100 Ų10061.1 Ų61.138%0.37733%0.326SS..EExtended strand (participates in β ladder)trans-120.2150.5166.672.1175.5-160.1-95.3-2.4111.2I480 E482 E489I480-R487 HydrophobicContact CB-CG 4.02Å; I480-R487 VanDerWaalsContact CD1-NH2 3.35Å; I480-R487 PolarHBondContact N-O 3.19Å; I480-R487 PolarHBondContact O-N 2.73Å; E482-R487 WeakPolarHBondContact OE1-CD 3.15Å; E482-R487 IonicContact OE1-CZ 3.08Å; E482-R487 IonicContact OE1-NE 3.9Å; E482-R487 IonicContact OE1-NH1 3.35Å; E482-R487 PolarHBondContact OE1-NH1 3.38Å; R487-E489 IonicContact CZ-OE2 2.69Å; R487-E489 VanDerWaalsContact CZ-OE2 3.32Å; R487-E489 IonicContact NE-OE2 3.21Å; R487-E489 PolarHBondContact NE-OE2 3.01Å; R487-E489 IonicContact NH2-OE2 3.29Å; R487-E489 PolarHBondContact NH2-OE2 3.18Å
488C86.4Confident81.3Confident13 Ų1366 Ų669%0.08836%0.358CS..EExtended strand (participates in β ladder)trans-100129.8169.9-52.60000108.5C472 V477 I478 I496C472-C488 WeakPolarHBondContact CA-SG 3.02Å; C472-C488 HydrophobicContact CB-CB 3.93Å; C472-C488 WeakPolarHBondContact CB-SG 3.32Å; C472-C488 VanDerWaalsContact SG-CA 3.53Å; C472-C488 WeakPolarHBondContact SG-CB 3Å; C472-C488 CovalentContact SG-SG 2.04Å; C472-C488 PolarHBondContact SG-SG 3.43Å; V477-C488 HydrophobicContact CG2-CB 3.81Å; I478-C488 CarbonylContact O-C 3.27Å; I478-C488 WeakPolarHBondContact O-CA 3.28Å; C488-I496 WeakPolarHBondContact O-CD1 3.43Å
489E82.9Confident80.6Confident84 Ų8465.6 Ų65.639%0.39336%0.357SS..EExtended strand (participates in β ladder)trans-119.6154.1179-160.3164.2118.900109.4V477 I478 I480 R487V477-E489 CarbonylContact C-O 3.44Å; V477-E489 WeakPolarHBondContact CA-O 3.35Å; I478-E489 HydrophobicContact CB-CB 4.49Å; I478-E489 PolarHBondContact N-O 3.29Å; I478-E489 PolarHBondContact O-N 2.04Å; I480-E489 HydrophobicContact CD1-CB 3.88Å; I480-E489 HydrophobicContact CD1-CG 4.42Å; I480-E489 VanDerWaalsContact CD1-OE2 3.31Å; I480-E489 WeakPolarHBondContact CD1-OE2 3.45Å; R487-E489 IonicContact CZ-OE2 2.69Å; R487-E489 VanDerWaalsContact CZ-OE2 3.32Å; R487-E489 IonicContact NE-OE2 3.21Å; R487-E489 PolarHBondContact NE-OE2 3.01Å; R487-E489 IonicContact NH2-OE2 3.29Å; R487-E489 PolarHBondContact NH2-OE2 3.18Å
490C84.3Confident79.9Confident29 Ų2964.9 Ų64.920%0.19636%0.358CS..EExtended strand (participates in β ladder)trans-110.6144.1-176.6-64.40000111.6F494 C503C490-F494 HydrophobicContact CB-CB 4.1Å; C490-F494 WeakPolarHBondContact CB-O 3Å; C490-C503 WeakPolarHBondContact CA-SG 3.18Å; C490-C503 HydrophobicContact CB-CB 3.93Å; C490-C503 WeakPolarHBondContact CB-SG 3.4Å; C490-C503 WeakPolarHBondContact SG-CB 3.25Å; C490-C503 CovalentContact SG-SG 2.04Å; C490-C503 PolarHBondContact SG-SG 3.04Å
491Q80.4Confident79.6Confident105 Ų10564.4 Ų64.449%0.49135%0.354SS..  trans-65153.7169.2-66.5168.81.800110.5A476 I478 F494A476-Q491 HydrophobicContact CB-CB 4.16Å; A476-Q491 WeakPolarHBondContact O-CG 3.42Å; A476-Q491 PolarHBondContact O-N 3.31Å; I478-Q491 HydrophobicContact CD1-CG 3.89Å; I478-Q491 HydrophobicContact CG1-CG 4.2Å; Q491-F494 WeakPolarHBondContact O-CB 2.95Å; Q491-F494 PolarHBondContact O-N 3.29Å; Q491-F494 VanDerWaalsContact O-N 3.1Å
492T75.3Confident79.6Confident143 Ų14363.2 Ų63.288%0.87735%0.349SS*.THydrogen-bonded Turntrans-52.5140.3176.1-43.30000111.1
493G76.1Confident79.8Confident9 Ų960.9 Ų60.99%0.09334%0.341CS..THydrogen-bonded Turntrans88.2-3.3-169.900000114.4I506G493-I506 PolarHBondContact O-N 3.18Å
494F86.3Confident80Confident33 Ų3360.3 Ų60.315%0.14533%0.328CS..EExtended strand (participates in β ladder)trans-130.5142.8178-56.9-99.3000112.2A476 C490 Q491 C503 Q504 D505 I524 G525A476-F494 HydrophobicContact CB-CB 4.13Å; A476-F494 HydrophobicContact CB-CD1 3.7Å; A476-F494 HydrophobicContact CB-CD2 3.29Å; A476-F494 HydrophobicContact CB-CE1 3.86Å; A476-F494 HydrophobicContact CB-CE2 3.45Å; A476-F494 VanDerWaalsContact CB-CE2 3.45Å; A476-F494 HydrophobicContact CB-CG 3.43Å; A476-F494 VanDerWaalsContact CB-CG 3.43Å; A476-F494 HydrophobicContact CB-CZ 3.74Å; C490-F494 HydrophobicContact CB-CB 4.1Å; C490-F494 WeakPolarHBondContact CB-O 3Å; Q491-F494 WeakPolarHBondContact O-CB 2.95Å; Q491-F494 PolarHBondContact O-N 3.29Å; Q491-F494 VanDerWaalsContact O-N 3.1Å; F494-C503 HydrophobicContact CB-CB 3.97Å; F494-Q504 CarbonylContact C-O 3.59Å; F494-Q504 VanDerWaalsContact CA-O 3.31Å; F494-Q504 WeakPolarHBondContact CA-O 3.38Å; F494-D505 HydrophobicContact CE1-CB 4.5Å; F494-I524 HydrophobicContact CE1-CG2 3.98Å; F494-I524 HydrophobicContact CZ-CG2 3.77Å; F494-G525 VanDerWaalsContact CZ-CA 3.42Å
495R82.9Confident80.4Confident118 Ų11861.3 Ų61.345%0.44533%0.329SS..EExtended strand (participates in β ladder)trans-104.6153.5171.560.6176.7175.3-112-4.6110.5S497 C503 Q504 I506R495-S497 PolarHBondContact O-N 2.79Å; R495-C503 CarbonylContact O-C 3.58Å; R495-C503 WeakPolarHBondContact O-CA 3.36Å; R495-Q504 HydrophobicContact CG-CB 4.24Å; R495-Q504 PolarHBondContact N-O 3.4Å; R495-Q504 PolarHBondContact O-N 2.84Å; R495-I506 HydrophobicContact CB-CD1 4.19Å; R495-I506 HydrophobicContact CB-CG1 3.99Å; R495-I506 HydrophobicContact CG-CG1 4.05Å
496I80.6Confident80.3Confident86 Ų8660.8 Ų60.844%0.44132%0.323SS..EExtended strand (participates in β ladder)trans-67.2135.1173.5-159.5171.3000110.4C488C488-I496 WeakPolarHBondContact O-CD1 3.43Å
497S75.5Confident80.2Confident26 Ų2661.8 Ų61.818%0.18233%0.331CS..  trans-69.3153.7176.7175.90000110.7R495 D499 G500 S502R495-S497 PolarHBondContact O-N 2.79Å; S497-D499 WeakPolarHBondContact CB-OD1 3.47Å; S497-D499 PolarHBondContact O-N 2.96Å; S497-D499 PolarHBondContact OG-OD1 2.9Å; S497-G500 PolarHBondContact O-N 3.05Å; S497-S502 WeakPolarHBondContact CB-O 3.46Å; S497-S502 WeakPolarHBondContact CB-OG 3.15Å; S497-S502 PolarHBondContact N-O 2.94Å; S497-S502 PolarHBondContact OG-OG 2.86Å
498P72.5Confident80.1Confident134 Ų13459.1 Ų59.187%0.8732%0.323SS*.THydrogen-bonded Turntrans-58.7-7174.6-25.635.5000115.8
499D70.2Confident80.1Confident60 Ų6059.8 Ų59.832%0.32133%0.327SS..THydrogen-bonded Turntrans-82.7-10.317169.17.7000114.2Y473 S497 H501 S502Y473-D499 WeakPolarHBondContact CE2-OD2 3.24Å; Y473-D499 PolarHBondContact OH-OD2 3.1Å; S497-D499 WeakPolarHBondContact CB-OD1 3.47Å; S497-D499 PolarHBondContact O-N 2.96Å; S497-D499 PolarHBondContact OG-OD1 2.9Å; D499-H501 PolarHBondContact O-N 3Å; D499-H501 PolarHBondContact OD1-N 2.89Å; D499-S502 VanDerWaalsContact CG-OG 3.27Å; D499-S502 PolarHBondContact OD1-N 2.65Å; D499-S502 PolarHBondContact OD1-OG 3.02Å; D499-S502 VanDerWaalsContact OD1-OG 3.07Å; D499-S502 PolarHBondContact OD2-OG 3.28Å
500G72.4Confident80Confident33 Ų3362.9 Ų62.934%0.3435%0.346SS..SBendtrans67.415.1-177.400000114.5S497S497-G500 PolarHBondContact O-N 3.05Å
501H78.1Confident79.3Confident35 Ų3567.8 Ų67.816%0.16237%0.37CS..SBendtrans-137.2-24.6-166.5-71.7-13.2000113.7K471 C472 Y473 D499K471-H501 VanDerWaalsContact CD-NE2 3.3Å; K471-H501 WeakPolarHBondContact CD-NE2 3.11Å; K471-H501 WeakPolarHBondContact O-CB 3.21Å; C472-H501 CarbonylContact C-O 3.49Å; C472-H501 WeakPolarHBondContact CA-O 3.48Å; Y473-H501 HydrophobicContact CD1-CB 4.28Å; Y473-H501 HydrophobicContact CE1-CB 3.68Å; Y473-H501 HydrophobicContact CE2-CB 4.39Å; Y473-H501 PolarHBondContact N-O 3.1Å; D499-H501 PolarHBondContact O-N 3Å; D499-H501 PolarHBondContact OD1-N 2.89Å
502S81.6Confident79.2Confident20 Ų2069.4 Ų69.414%0.1438%0.382CS..SBendtrans-117.7164.3175.357.70000112.7Y473 S497 D499Y473-S502 WeakPolarHBondContact O-CA 3.49Å; Y473-S502 WeakPolarHBondContact O-CB 3.23Å; S497-S502 WeakPolarHBondContact CB-O 3.46Å; S497-S502 WeakPolarHBondContact CB-OG 3.15Å; S497-S502 PolarHBondContact N-O 2.94Å; S497-S502 PolarHBondContact OG-OG 2.86Å; D499-S502 VanDerWaalsContact CG-OG 3.27Å; D499-S502 PolarHBondContact OD1-N 2.65Å; D499-S502 PolarHBondContact OD1-OG 3.02Å; D499-S502 VanDerWaalsContact OD1-OG 3.07Å; D499-S502 PolarHBondContact OD2-OG 3.28Å
503C83.9Confident79.6Confident19 Ų1965.4 Ų65.413%0.12836%0.355CS..EExtended strand (participates in β ladder)trans-109.6133.8175.1-62.80000110A476 C490 F494 R495A476-C503 HydrophobicContact CB-CB 4.26Å; C490-C503 WeakPolarHBondContact CA-SG 3.18Å; C490-C503 HydrophobicContact CB-CB 3.93Å; C490-C503 WeakPolarHBondContact CB-SG 3.4Å; C490-C503 WeakPolarHBondContact SG-CB 3.25Å; C490-C503 CovalentContact SG-SG 2.04Å; C490-C503 PolarHBondContact SG-SG 3.04Å; F494-C503 HydrophobicContact CB-CB 3.97Å; R495-C503 CarbonylContact O-C 3.58Å; R495-C503 WeakPolarHBondContact O-CA 3.36Å
504Q82.4Confident79.3Confident97 Ų9765.3 Ų65.345%0.45335%0.354SS..EExtended strand (participates in β ladder)trans-104.1136.9173.6-168.3-174.126.700109.6F494 R495F494-Q504 CarbonylContact C-O 3.59Å; F494-Q504 VanDerWaalsContact CA-O 3.31Å; F494-Q504 WeakPolarHBondContact CA-O 3.38Å; R495-Q504 HydrophobicContact CG-CB 4.24Å; R495-Q504 PolarHBondContact N-O 3.4Å; R495-Q504 PolarHBondContact O-N 2.84Å
505D82.7Confident78.9Confident41 Ų4165.1 Ų65.122%0.21936%0.362CS..EExtended strand (participates in β ladder)trans-48.8134.5168.4-165.159.8000111.8F494 N522 I524 G525F494-D505 HydrophobicContact CE1-CB 4.5Å; D505-N522 PolarHBondContact OD2-ND2 3.23Å; D505-I524 WeakPolarHBondContact OD1-CA 3.19Å; D505-G525 PolarHBondContact OD1-N 3.42Å
506I80.5Confident79Confident56 Ų5660 Ų6029%0.28734%0.344SS..  trans-91.9103170.5-55.8173.8000107.2G493 R495 E508G493-I506 PolarHBondContact O-N 3.18Å; R495-I506 HydrophobicContact CB-CD1 4.19Å; R495-I506 HydrophobicContact CB-CG1 3.99Å; R495-I506 HydrophobicContact CG-CG1 4.05Å; I506-E508 VanDerWaalsContact C-N 3.26Å; I506-E508 HydrophobicContact CB-CG 4.46Å; I506-E508 HydrophobicContact CG2-CG 3.96Å; I506-E508 PolarHBondContact O-N 2.95Å
507D83Confident79.1Confident57 Ų5761.6 Ų61.631%0.30535%0.35SS..  trans-70.985.3171.9-164.3-36.4000110C509 L510 N522D507-C509 PolarHBondContact O-N 2.81Å; D507-C509 WeakPolarHBondContact OD1-CB 3.28Å; D507-C509 PolarHBondContact OD1-N 3.24Å; D507-L510 HydrophobicContact CB-CD1 3.91Å; D507-L510 HydrophobicContact CB-CG 4Å; D507-L510 WeakPolarHBondContact O-CB 3.48Å; D507-L510 PolarHBondContact O-N 3.09Å; D507-L510 VanDerWaalsContact O-N 3.15Å; D507-N522 WeakPolarHBondContact CA-ND2 3.32Å; D507-N522 WeakPolarHBondContact CB-ND2 3.36Å; D507-N522 WeakPolarHBondContact OD1-CB 3.04Å; D507-N522 PolarHBondContact OD2-ND2 2.82Å; D507-N522 VanDerWaalsContact OD2-ND2 3.12Å
508E84.1Confident79.6Confident43 Ų4365 Ų6520%0.20136%0.361CS..G310 helixtrans-67.5-16.1-178.5-61.7122.6178.500112.1I506 L510 D511 G514 G526 H527I506-E508 VanDerWaalsContact C-N 3.26Å; I506-E508 HydrophobicContact CB-CG 4.46Å; I506-E508 HydrophobicContact CG2-CG 3.96Å; I506-E508 PolarHBondContact O-N 2.95Å; E508-L510 PolarHBondContact O-N 2.78Å; E508-D511 PolarHBondContact O-N 3.01Å; E508-D511 VanDerWaalsContact O-N 3.13Å; E508-G514 WeakPolarHBondContact O-CA 3.33Å; E508-G514 PolarHBondContact O-N 2.88Å; E508-G514 VanDerWaalsContact O-N 3.11Å; E508-G526 VanDerWaalsContact OE2-C 3.27Å; E508-G526 WeakPolarHBondContact OE2-CA 3.41Å; E508-H527 HydrophobicContact CB-CB 4.39Å; E508-H527 WeakPolarHBondContact CB-ND1 3.26Å; E508-H527 IonicContact OE2-CE1 2.83Å; E508-H527 IonicContact OE2-CG 2.71Å; E508-H527 PolarHBondContact OE2-N 2.03Å; E508-H527 IonicContact OE2-ND1 3.03Å; E508-H527 PolarHBondContact OE2-ND1 2.8Å
509C86.5Confident80.1Confident27 Ų2763.3 Ų63.318%0.18234%0.342CS..G310 helixtrans-70.3-14.2173.7-59.60000113.1D507 D511 C520 V521 N522D507-C509 PolarHBondContact O-N 2.81Å; D507-C509 WeakPolarHBondContact OD1-CB 3.28Å; D507-C509 PolarHBondContact OD1-N 3.24Å; C509-D511 VanDerWaalsContact C-N 3.3Å; C509-C520 WeakPolarHBondContact CA-SG 3.24Å; C509-C520 HydrophobicContact CB-CB 3.6Å; C509-C520 WeakPolarHBondContact CB-SG 3.08Å; C509-C520 VanDerWaalsContact SG-C 3.5Å; C509-C520 WeakPolarHBondContact SG-CB 3.39Å; C509-C520 CovalentContact SG-SG 2.03Å; C509-C520 PolarHBondContact SG-SG 2.74Å; C509-V521 PolarHBondContact SG-N 2.89Å; C509-V521 VanDerWaalsContact SG-N 3.42Å; C509-N522 PolarHBondContact SG-N 3.02Å
510L80.6Confident81.1Confident150 Ų15061.1 Ų61.179%0.78533%0.331SS*.G310 helixtrans-77.8-13.9171.6-59179.6000113.3D507 E508D507-L510 HydrophobicContact CB-CD1 3.91Å; D507-L510 HydrophobicContact CB-CG 4Å; D507-L510 WeakPolarHBondContact O-CB 3.48Å; D507-L510 PolarHBondContact O-N 3.09Å; D507-L510 VanDerWaalsContact O-N 3.15Å; E508-L510 PolarHBondContact O-N 2.78Å
511D69.6Low81.7Confident131 Ų13161.4 Ų61.470%0.70133%0.326SS*.SBendtrans-120.7115.2-178.6-160.217.3000110.1E508 C509 N513 G514E508-D511 PolarHBondContact O-N 3.01Å; E508-D511 VanDerWaalsContact O-N 3.13Å; C509-D511 VanDerWaalsContact C-N 3.3Å; D511-N513 PolarHBondContact O-N 3.34Å; D511-G514 PolarHBondContact O-N 3.3Å
512D78.1Confident81.9Confident140 Ų14061.8 Ų61.875%0.74933%0.329SS*.G310 helixtrans39.339.5-172.8-155.443.7000116G514 G515D512-G514 PolarHBondContact O-N 2.92Å; D512-G515 PolarHBondContact O-N 3.04Å
513N83.2Confident81.8Confident58 Ų5863.8 Ų63.831%0.3134%0.341SS..G310 helixtrans54.533.6-177.4-165.543.8000112.2D511 G515 C516 F518 C520D511-N513 PolarHBondContact O-N 3.34Å; N513-G515 PolarHBondContact O-N 2.63Å; N513-G515 VanDerWaalsContact O-N 3.11Å; N513-C516 PolarHBondContact ND2-O 3.28Å; N513-C516 WeakPolarHBondContact O-CB 3.35Å; N513-C516 PolarHBondContact O-N 2.79Å; N513-C516 PolarHBondContact O-SG 2.9Å; N513-C516 VanDerWaalsContact O-SG 3.34Å; N513-F518 PolarHBondContact ND2-O 2.93Å; N513-C520 VanDerWaalsContact O-CB 3.23Å; N513-C520 WeakPolarHBondContact O-CB 3.39Å; N513-C520 WeakPolarHBondContact OD1-CB 3.49Å; N513-C520 PolarHBondContact OD1-N 3.31Å; N513-C520 VanDerWaalsContact OD1-N 3.1Å
514G71.1Confident81.6Confident7 Ų768.8 Ų68.87%0.07237%0.365CS..G310 helixtrans65.16.6-174.200000115.1E508 D511 D512 C516 H527 R542E508-G514 WeakPolarHBondContact O-CA 3.33Å; E508-G514 PolarHBondContact O-N 2.88Å; E508-G514 VanDerWaalsContact O-N 3.11Å; D511-G514 PolarHBondContact O-N 3.3Å; D512-G514 PolarHBondContact O-N 2.92Å; G514-C516 VanDerWaalsContact C-N 3.34Å; G514-H527 PolarHBondContact O-NE2 3.39Å; G514-H527 VanDerWaalsContact O-NE2 3.11Å; G514-R542 PolarHBondContact O-NH2 2.95Å
515G77Confident81.1Confident30 Ų3065.4 Ų65.431%0.30936%0.357SS..G310 helixtrans74.520.5-164.400000113.8D512 N513 R542D512-G515 PolarHBondContact O-N 3.04Å; N513-G515 PolarHBondContact O-N 2.63Å; N513-G515 VanDerWaalsContact O-N 3.11Å; G515-R542 WeakPolarHBondContact O-CB 3.33Å; G515-R542 WeakPolarHBondContact O-CD 3.44Å; G515-R542 WeakPolarHBondContact O-CG 3.45Å
516C85.5Confident80.9Confident10 Ų1064.2 Ų64.27%0.06835%0.354CS..  trans-82.1135.7173.6-60.10000111.7N513 G514 F518 C520 C529N513-C516 PolarHBondContact ND2-O 3.28Å; N513-C516 WeakPolarHBondContact O-CB 3.35Å; N513-C516 PolarHBondContact O-N 2.79Å; N513-C516 PolarHBondContact O-SG 2.9Å; N513-C516 VanDerWaalsContact O-SG 3.34Å; G514-C516 VanDerWaalsContact C-N 3.34Å; C516-F518 PolarHBondContact O-N 2.87Å; C516-C520 HydrophobicContact CB-CB 4.18Å; C516-C529 WeakPolarHBondContact CA-SG 3.25Å; C516-C529 HydrophobicContact CB-CB 3.59Å; C516-C529 WeakPolarHBondContact CB-SG 3.44Å; C516-C529 WeakPolarHBondContact SG-CA 3.22Å; C516-C529 WeakPolarHBondContact SG-CB 3.49Å; C516-C529 CovalentContact SG-SG 2.02Å; C516-C529 PolarHBondContact SG-SG 2.69Å
517E82.7Confident81.1Confident120 Ų12064.1 Ų64.156%0.56135%0.352SS*.SBendtrans-68.5-32.7-178.8-178.2172.516800114R542 T543 C544E517-R542 PolarHBondContact N-O 2.82Å; E517-T543 VanDerWaalsContact OE2-CA 3.25Å; E517-T543 WeakPolarHBondContact OE2-CA 3.4Å; E517-T543 WeakPolarHBondContact OE2-CB 3.2Å; E517-C544 HydrophobicContact CB-CB 4.49Å; E517-C544 PolarHBondContact OE2-N 3.16Å
518F85.1Confident81.3Confident96 Ų9668.2 Ų68.242%0.42136%0.363SS..SBendtrans-118-81.8179.7-179.7-104.5000112.4N513 C516 L530 C531 D532N513-F518 PolarHBondContact ND2-O 2.93Å; C516-F518 PolarHBondContact O-N 2.87Å; F518-L530 WeakPolarHBondContact CB-O 3.23Å; F518-L530 WeakPolarHBondContact CD1-O 3.27Å; F518-C531 VanDerWaalsContact CD1-C 3.45Å; F518-D532 HydrophobicContact CD1-CB 4.24Å; F518-D532 HydrophobicContact CD2-CB 3.97Å; F518-D532 HydrophobicContact CE1-CB 3.94Å; F518-D532 HydrophobicContact CE2-CB 3.65Å; F518-D532 HydrophobicContact CG-CB 4.24Å; F518-D532 HydrophobicContact CZ-CB 3.63Å
519Q85Confident81.4Confident100 Ų10066.6 Ų66.647%0.46736%0.356SS..EExtended strand (participates in β ladder)trans-125.4116.5-174.7-179.9177.217.600112.1V521 L530Q519-V521 HydrophobicContact CG-CG2 4.46Å; Q519-L530 HydrophobicContact CB-CB 4.31Å; Q519-L530 PolarHBondContact N-O 3.44Å; Q519-L530 PolarHBondContact O-N 2.8Å
520C89.9Confident81.3Confident14 Ų1468.5 Ų68.510%0.09536%0.364CS..EExtended strand (participates in β ladder)trans-76.6143.7167.1-166.30000111.7C509 N513 C516C509-C520 WeakPolarHBondContact CA-SG 3.24Å; C509-C520 HydrophobicContact CB-CB 3.6Å; C509-C520 WeakPolarHBondContact CB-SG 3.08Å; C509-C520 VanDerWaalsContact SG-C 3.5Å; C509-C520 WeakPolarHBondContact SG-CB 3.39Å; C509-C520 CovalentContact SG-SG 2.03Å; C509-C520 PolarHBondContact SG-SG 2.74Å; N513-C520 VanDerWaalsContact O-CB 3.23Å; N513-C520 WeakPolarHBondContact O-CB 3.39Å; N513-C520 WeakPolarHBondContact OD1-CB 3.49Å; N513-C520 PolarHBondContact OD1-N 3.31Å; N513-C520 VanDerWaalsContact OD1-N 3.1Å; C516-C520 HydrophobicContact CB-CB 4.18Å
521V86.1Confident81.3Confident39 Ų3962.8 Ų62.824%0.23634%0.337CS..EExtended strand (participates in β ladder)trans-131.8115.3168.5177.90000108.7C509 Q519 R528 L530C509-V521 PolarHBondContact SG-N 2.89Å; C509-V521 VanDerWaalsContact SG-N 3.42Å; Q519-V521 HydrophobicContact CG-CG2 4.46Å; V521-R528 HydrophobicContact CB-CG 4.08Å; V521-R528 PolarHBondContact N-O 2.84Å; V521-R528 PolarHBondContact O-N 3.4Å; V521-L530 HydrophobicContact CG2-CD1 3.58Å; V521-L530 HydrophobicContact CG2-CG 4.08Å
522N81.8Confident81.6Confident42 Ų4260.4 Ų60.423%0.22532%0.324CS..EExtended strand (participates in β ladder)trans-66.7145179.4-173.928.6000110.9D505 D507 C509D505-N522 PolarHBondContact OD2-ND2 3.23Å; D507-N522 WeakPolarHBondContact CA-ND2 3.32Å; D507-N522 WeakPolarHBondContact CB-ND2 3.36Å; D507-N522 WeakPolarHBondContact OD1-CB 3.04Å; D507-N522 PolarHBondContact OD2-ND2 2.82Å; D507-N522 VanDerWaalsContact OD2-ND2 3.12Å; C509-N522 PolarHBondContact SG-N 3.02Å
523T80.1Confident80.5Confident62 Ų6264 Ų6438%0.3833%0.334SS..EExtended strand (participates in β ladder)trans-139.5164.1173.684.70000109.9G525 G526 R528T523-G525 PolarHBondContact O-N 3.06Å; T523-G526 CarbonylContact C-O 3.48Å; T523-G526 VanDerWaalsContact CA-O 3.22Å; T523-G526 WeakPolarHBondContact CA-O 3.47Å; T523-G526 VanDerWaalsContact CB-O 3.26Å; T523-G526 WeakPolarHBondContact CB-O 3.29Å; T523-G526 PolarHBondContact N-O 3.25Å; T523-G526 CarbonylContact O-C 3.32Å; T523-G526 PolarHBondContact O-N 3.47Å; T523-G526 VanDerWaalsContact O-N 3.1Å; T523-G526 PolarHBondContact OG1-O 2.9Å; T523-R528 HydrophobicContact CG2-CG 4.2Å
524I78.3Confident79.3Confident124 Ų12464 Ų6464%0.63635%0.347SS*.THydrogen-bonded Turntrans-70.3107.2-171.4-65.4171.9000110.2F494 D505F494-I524 HydrophobicContact CE1-CG2 3.98Å; F494-I524 HydrophobicContact CZ-CG2 3.77Å; D505-I524 WeakPolarHBondContact OD1-CA 3.19Å
525G72.6Confident79.4Confident27 Ų2765.5 Ų65.528%0.27835%0.353SS..THydrogen-bonded Turntrans86.821.6-175.800000115.4F494 D505 T523F494-G525 VanDerWaalsContact CZ-CA 3.42Å; D505-G525 PolarHBondContact OD1-N 3.42Å; T523-G525 PolarHBondContact O-N 3.06Å
526G79.2Confident79.2Confident16 Ų1670.5 Ų70.517%0.16537%0.369CS..EExtended strand (participates in β ladder)trans155.8160.6173.100000113.6E508 T523E508-G526 VanDerWaalsContact OE2-C 3.27Å; E508-G526 WeakPolarHBondContact OE2-CA 3.41Å; T523-G526 CarbonylContact C-O 3.48Å; T523-G526 VanDerWaalsContact CA-O 3.22Å; T523-G526 WeakPolarHBondContact CA-O 3.47Å; T523-G526 VanDerWaalsContact CB-O 3.26Å; T523-G526 WeakPolarHBondContact CB-O 3.29Å; T523-G526 PolarHBondContact N-O 3.25Å; T523-G526 CarbonylContact O-C 3.32Å; T523-G526 PolarHBondContact O-N 3.47Å; T523-G526 VanDerWaalsContact O-N 3.1Å; T523-G526 PolarHBondContact OG1-O 2.9Å
527H84Confident78.6Confident54 Ų5473.8 Ų73.825%0.2539%0.385CS..EExtended strand (participates in β ladder)trans-93.3171.5177.560.9-79.1000114.4E508 G514E508-H527 HydrophobicContact CB-CB 4.39Å; E508-H527 WeakPolarHBondContact CB-ND1 3.26Å; E508-H527 IonicContact OE2-CE1 2.83Å; E508-H527 IonicContact OE2-CG 2.71Å; E508-H527 PolarHBondContact OE2-N 2.03Å; E508-H527 IonicContact OE2-ND1 3.03Å; E508-H527 PolarHBondContact OE2-ND1 2.8Å; G514-H527 PolarHBondContact O-NE2 3.39Å; G514-H527 VanDerWaalsContact O-NE2 3.11Å
528R86.5Confident78.2Confident143 Ų14370.2 Ų70.254%0.5437%0.37SS..EExtended strand (participates in β ladder)trans-136.9147.8164.566.5-177.2-179.7171.51.9111.1V521 T523V521-R528 HydrophobicContact CB-CG 4.08Å; V521-R528 PolarHBondContact N-O 2.84Å; V521-R528 PolarHBondContact O-N 3.4Å; T523-R528 HydrophobicContact CG2-CG 4.2Å
529C87.1Confident77.9Confident8 Ų872.4 Ų72.45%0.05439%0.394CS..EExtended strand (participates in β ladder)trans-93.5144.4175.3-53.50000111.7C516 L537 G541C516-C529 WeakPolarHBondContact CA-SG 3.25Å; C516-C529 HydrophobicContact CB-CB 3.59Å; C516-C529 WeakPolarHBondContact CB-SG 3.44Å; C516-C529 WeakPolarHBondContact SG-CA 3.22Å; C516-C529 WeakPolarHBondContact SG-CB 3.49Å; C516-C529 CovalentContact SG-SG 2.02Å; C516-C529 PolarHBondContact SG-SG 2.69Å; C529-L537 HydrophobicContact CB-CD1 3.73Å; C529-L537 HydrophobicContact CB-CD2 4.42Å; C529-G541 WeakPolarHBondContact CB-O 3.2Å; C529-G541 PolarHBondContact SG-O 3.38Å
530L83.2Confident77.2Confident67 Ų6771.8 Ų71.835%0.35139%0.393SS..EExtended strand (participates in β ladder)trans-121.7147170-58.8-179.8000108.8F518 Q519 V521F518-L530 WeakPolarHBondContact CB-O 3.23Å; F518-L530 WeakPolarHBondContact CD1-O 3.27Å; Q519-L530 HydrophobicContact CB-CB 4.31Å; Q519-L530 PolarHBondContact N-O 3.44Å; Q519-L530 PolarHBondContact O-N 2.8Å; V521-L530 HydrophobicContact CG2-CD1 3.58Å; V521-L530 HydrophobicContact CG2-CG 4.08Å
531C81.2Confident76.6Confident30 Ų3072.8 Ų72.820%0.20341%0.406CS..  trans-103.7164.1176.1-59.40000111.7F518 D535 C544F518-C531 VanDerWaalsContact CD1-C 3.45Å; C531-D535 HydrophobicContact CB-CB 4.25Å; C531-D535 VanDerWaalsContact CB-O 3.3Å; C531-D535 WeakPolarHBondContact CB-O 3Å; C531-C544 WeakPolarHBondContact CA-SG 3.39Å; C531-C544 HydrophobicContact CB-CB 3.77Å; C531-C544 WeakPolarHBondContact CB-SG 3.12Å; C531-C544 VanDerWaalsContact SG-CA 3.58Å; C531-C544 WeakPolarHBondContact SG-CB 3.44Å; C531-C544 CovalentContact SG-SG 2.04Å; C531-C544 PolarHBondContact SG-SG 2.99Å
532D76.5Confident76.2Confident81 Ų8176.8 Ų76.843%0.43342%0.417SS..  trans-71169.1175.6-158.51000111.7F518 G534 D535F518-D532 HydrophobicContact CD1-CB 4.24Å; F518-D532 HydrophobicContact CD2-CB 3.97Å; F518-D532 HydrophobicContact CE1-CB 3.94Å; F518-D532 HydrophobicContact CE2-CB 3.65Å; F518-D532 HydrophobicContact CG-CB 4.24Å; F518-D532 HydrophobicContact CZ-CB 3.63Å; D532-G534 VanDerWaalsContact C-N 3.3Å; D532-G534 PolarHBondContact O-N 3.16Å; D532-D535 PolarHBondContact O-N 3.4Å
533F55.5Low76.1Confident217 Ų21777.1 Ų77.195%0.95242%0.42SS*.THydrogen-bonded Turntrans-65.778.8-177.3-93.4-86000113.5
534G58.2Low76.2Confident57 Ų5774.7 Ų74.759%0.58841%0.406SS*.THydrogen-bonded Turntrans154.7-13.9174.500000115.1D532D532-G534 VanDerWaalsContact C-N 3.3Å; D532-G534 PolarHBondContact O-N 3.16Å
535D72.9Confident75.7Confident38 Ų3871.1 Ų71.120%0.20339%0.392CS..EExtended strand (participates in β ladder)trans-113.1141.8-166.8-59.3-19.8000110.9C531 D532 C544 S545 R546C531-D535 HydrophobicContact CB-CB 4.25Å; C531-D535 VanDerWaalsContact CB-O 3.3Å; C531-D535 WeakPolarHBondContact CB-O 3Å; D532-D535 PolarHBondContact O-N 3.4Å; D535-C544 HydrophobicContact CB-CB 4.3Å; D535-S545 WeakPolarHBondContact CA-O 3.26Å; D535-R546 WeakPolarHBondContact OD1-CG 3.46Å; D535-R546 IonicContact OD1-NE 3.44Å; D535-R546 IonicContact OD2-NE 2.86Å; D535-R546 PolarHBondContact OD2-NE 2.01Å; D535-R546 IonicContact OD2-NH2 2.74Å
536E72.8Confident74.8Confident136 Ų13678.7 Ų78.764%0.63641%0.412SS*.EExtended strand (participates in β ladder)trans-99.5137.2-176.1-66.6-169.2166.700111.5N538 C544 S545E536-N538 PolarHBondContact O-N 3.2Å; E536-C544 CarbonylContact O-C 3.28Å; E536-C544 WeakPolarHBondContact O-CA 3.41Å; E536-S545 PolarHBondContact N-O 3.45Å; E536-S545 PolarHBondContact O-N 2.9Å
537L72.6Confident72.8Confident79 Ų7982.4 Ų82.441%0.41444%0.435SS..EExtended strand (participates in β ladder)trans-72.3125177.5-168.774.6000110.1C529C529-L537 HydrophobicContact CB-CD1 3.73Å; C529-L537 HydrophobicContact CB-CD2 4.42Å
538N74.3Confident70.5Confident44 Ų4484.4 Ų84.424%0.23546%0.456CS..PPolyproline II helixtrans-72.8166.9-174.6-71.1-32.6000112.7E536 D540 G541 T543 S545E536-N538 PolarHBondContact O-N 3.2Å; N538-D540 WeakPolarHBondContact CB-OD1 3.44Å; N538-D540 PolarHBondContact O-N 2.98Å; N538-G541 PolarHBondContact O-N 3.38Å; N538-T543 WeakPolarHBondContact CB-O 3.22Å; N538-T543 WeakPolarHBondContact CB-OG1 3.43Å; N538-T543 PolarHBondContact N-O 3.04Å; N538-T543 PolarHBondContact ND2-O 3.11Å; N538-T543 PolarHBondContact ND2-OG1 3.42Å; N538-S545 VanDerWaalsContact OD1-CB 3.22Å; N538-S545 WeakPolarHBondContact OD1-CB 3.48Å; N538-S545 PolarHBondContact OD1-OG 3.37Å
539P78.7Confident67.9Low143 Ų14382 Ų8293%0.92946%0.461SS*.THydrogen-bonded Turntrans-63.3-7.9179.9-24.135.6000115.9G541P539-G541 VanDerWaalsContact C-N 3.28Å
540D70.8Confident65.2Low86 Ų8691.7 Ų91.746%0.4650%0.498SS..THydrogen-bonded Turntrans-79.4-10.417164.52.2000113.1N538 R542 T543N538-D540 WeakPolarHBondContact CB-OD1 3.44Å; N538-D540 PolarHBondContact O-N 2.98Å; D540-R542 PolarHBondContact O-N 3.17Å; D540-R542 PolarHBondContact OD1-N 2.95Å; D540-T543 VanDerWaalsContact CG-OG1 3.31Å; D540-T543 PolarHBondContact OD1-N 3.24Å; D540-T543 PolarHBondContact OD1-OG1 2.87Å; D540-T543 WeakPolarHBondContact OD2-CB 3.4Å; D540-T543 WeakPolarHBondContact OD2-CG2 3.22Å; D540-T543 PolarHBondContact OD2-N 2.82Å; D540-T543 PolarHBondContact OD2-OG1 3.24Å
541G76.2Confident62.7Low35 Ų3593.6 Ų93.636%0.36151%0.512SS..SBendtrans71.19.2-176.100000114.6C529 N538 P539C529-G541 WeakPolarHBondContact CB-O 3.2Å; C529-G541 PolarHBondContact SG-O 3.38Å; N538-G541 PolarHBondContact O-N 3.38Å; P539-G541 VanDerWaalsContact C-N 3.28Å
542R78.1Confident60.3Low124 Ų124102.1 Ų102.147%0.46854%0.54SS..SBendtrans-129-44.6-167.6-80-177.1167.9172.8-3.8114.7G514 G515 E517 D540G514-R542 PolarHBondContact O-NH2 2.95Å; G515-R542 WeakPolarHBondContact O-CB 3.33Å; G515-R542 WeakPolarHBondContact O-CD 3.44Å; G515-R542 WeakPolarHBondContact O-CG 3.45Å; E517-R542 PolarHBondContact N-O 2.82Å; D540-R542 PolarHBondContact O-N 3.17Å; D540-R542 PolarHBondContact OD1-N 2.95Å
543T80Confident58Low48 Ų48103.8 Ų103.829%0.29455%0.549SS..  trans-95.3154.3-175.856.30000112.4E517 N538 D540E517-T543 VanDerWaalsContact OE2-CA 3.25Å; E517-T543 WeakPolarHBondContact OE2-CA 3.4Å; E517-T543 WeakPolarHBondContact OE2-CB 3.2Å; N538-T543 WeakPolarHBondContact CB-O 3.22Å; N538-T543 WeakPolarHBondContact CB-OG1 3.43Å; N538-T543 PolarHBondContact N-O 3.04Å; N538-T543 PolarHBondContact ND2-O 3.11Å; N538-T543 PolarHBondContact ND2-OG1 3.42Å; D540-T543 VanDerWaalsContact CG-OG1 3.31Å; D540-T543 PolarHBondContact OD1-N 3.24Å; D540-T543 PolarHBondContact OD1-OG1 2.87Å; D540-T543 WeakPolarHBondContact OD2-CB 3.4Å; D540-T543 WeakPolarHBondContact OD2-CG2 3.22Å; D540-T543 PolarHBondContact OD2-N 2.82Å; D540-T543 PolarHBondContact OD2-OG1 3.24Å
544C81.2Confident56.8Low11 Ų11100.1 Ų100.17%0.07454%0.539CS..EExtended strand (participates in β ladder)trans-119108-172.6-68.90000110.1E517 C531 D535 E536E517-C544 HydrophobicContact CB-CB 4.49Å; E517-C544 PolarHBondContact OE2-N 3.16Å; C531-C544 WeakPolarHBondContact CA-SG 3.39Å; C531-C544 HydrophobicContact CB-CB 3.77Å; C531-C544 WeakPolarHBondContact CB-SG 3.12Å; C531-C544 VanDerWaalsContact SG-CA 3.58Å; C531-C544 WeakPolarHBondContact SG-CB 3.44Å; C531-C544 CovalentContact SG-SG 2.04Å; C531-C544 PolarHBondContact SG-SG 2.99Å; D535-C544 HydrophobicContact CB-CB 4.3Å; E536-C544 CarbonylContact O-C 3.28Å; E536-C544 WeakPolarHBondContact O-CA 3.41Å
545S68Low55.6Low50 Ų50101.4 Ų101.435%0.3554%0.539SS..EExtended strand (participates in β ladder)trans-93.2134.7-179.562.70000113.3D535 E536 N538 S547D535-S545 WeakPolarHBondContact CA-O 3.26Å; E536-S545 PolarHBondContact N-O 3.45Å; E536-S545 PolarHBondContact O-N 2.9Å; N538-S545 VanDerWaalsContact OD1-CB 3.22Å; N538-S545 WeakPolarHBondContact OD1-CB 3.48Å; N538-S545 PolarHBondContact OD1-OG 3.37Å; S545-S547 PolarHBondContact O-N 3.5Å
546R53Low53.5Low186 Ų186103.6 Ų103.670%0.70256%0.557SS**EExtended strand (participates in β ladder)trans-70.3114.5171.9-96.2173.9-174168.18.6111.1D535 S548D535-R546 WeakPolarHBondContact OD1-CG 3.46Å; D535-R546 IonicContact OD1-NE 3.44Å; D535-R546 IonicContact OD2-NE 2.86Å; D535-R546 PolarHBondContact OD2-NE 2.01Å; D535-R546 IonicContact OD2-NH2 2.74Å; R546-S548 PolarHBondContact O-N 2.99Å
547S37.9Very low51.4Low93 Ų93102.5 Ų102.565%0.6556%0.56SS**  trans-72.469170.2172.20000111.7S545S545-S547 PolarHBondContact O-N 3.5Å
548S36.7Very low49.2Very low97 Ų97104.9 Ų104.968%0.67857%0.572SS**  trans-147.1128.916555.20000114.3R546R546-S548 PolarHBondContact O-N 2.99Å
549S30.9Very low47.1Very low92 Ų92111.3 Ų111.364%0.64360%0.599SS**  trans-56.2164.2166.851.40000114.4
550Y30.7Very low44.7Very low212 Ų212110.3 Ų110.383%0.83159%0.59SS**  trans86.2142.5171.8-61.1-88.1000117
551V30.5Very low42.9Very low107 Ų107111 Ų11165%0.64860%0.599SS**  cis-171.8130.6-35.8113.20000109.3
552R29.9Very low40.5Very low209 Ų209114.8 Ų114.879%0.78962%0.615SS**  trans61.8168.9154.7-68.8-168.9-156-161.83.4118.6
553D29.3Very low38.1Very low116 Ų116117.3 Ų117.362%0.6263%0.63SS**  cis-141.9156-10-114.2-12000107
554D30.5Very low35.6Very low140 Ų140122.3 Ų122.375%0.74965%0.65SS**  47.9131.598-147.529.3000113.5
555S32.2Very low33Very low84 Ų84127.9 Ų127.959%0.58768%0.679SS**  cis-161.6-158.423.3-149.50000109
556S30.2Very low30.9Very low83 Ų83135.4 Ų135.458%0.5870%0.7SS**  cis-169.3153.56.3-1320000113.4
557T27.4Very low29.7Very low114 Ų114134.8 Ų134.870%0.69970%0.702SS**  trans68.4147.9141.869.80000120.8
558L27.7Very low29.1Very low128 Ų128137.8 Ų137.867%0.6771%0.706SS**  cis-163.9162-8.9-132.136.5000113.7
559F28.7Very low28.4Very low179 Ų179139.6 Ų139.679%0.78571%0.707SS**  trans69.197.1151.6-63.7-44.6000124.4
560T28Very low28.1Very low122 Ų122141.2 Ų141.275%0.74871%0.709SS**  -43.4167.3129.957.30000114.3
561P34.2Very low28Very low101 Ų101137.6 Ų137.666%0.65670%0.701SS**  cis-163.9152.245.342.1-17.2000123.5
562T26.2Very low27.9Very low114 Ų114141.1 Ų141.170%0.69971%0.708SS**  trans70.5154136.863.20000124.7
563K27.7Very low28Very low177 Ų177135.9 Ų135.977%0.7770%0.701SS**  trans77.3149.7153.2-75.7157.5-176.3173.20118.2
564Q27Very low28Very low153 Ų153136.4 Ų136.472%0.71571%0.708SS**  cis-173.9151.5-24.6-125.3176.83.600109.7
565N25.9Very low28Very low129 Ų129138.3 Ų138.369%0.6971%0.712SS**  trans65167161.6-67.2-55.3000118.5
566R25Very low27.9Very low207 Ų207144.5 Ų144.578%0.78172%0.723SS**  cis179.5151-35.9-163.1-179.8-176.3178.42.5108.5
567K26.2Very low27.8Very low174 Ų174146.8 Ų146.876%0.75773%0.727SS**  trans71.4164.8171-61.8-170.6179.3-175.50116.6
568Q25.3Very low27.9Very low155 Ų155147.3 Ų147.372%0.72473%0.73SS**  cis178.5142.1-44.5-111.5173.1-29.300109.3
569L23.8Very low28.1Very low136 Ų136148 Ų14871%0.71273%0.733SS**  trans70.5119.2149.2-64.2163000123.5
570N24.8Very low28.1Very low125 Ų125142.8 Ų142.867%0.66873%0.73SS**  79.3107.5128.2-68.86.1000126.5
571M27.2Very low28.3Very low137 Ų137143.7 Ų143.768%0.67573%0.73SS**  76.4126.6115.7-66.4174.67500125.2
572K28.4Very low28.2Very low181 Ų181143.7 Ų143.779%0.78773%0.728SS**  trans76.9162.6139.2-76.3-172.3175.8179.80120.2
573P32.9Very low28.6Very low99 Ų99145.3 Ų145.364%0.64373%0.727SS**  cis-148.9174.5-4643.4-25.6000118.2
574T28.1Very low28.8Very low126 Ų126143.1 Ų143.177%0.77372%0.72SS**  trans74.6145.9147.348.80000125.8
575Q30.8Very low28.9Very low180 Ų180144.2 Ų144.284%0.84172%0.722SS**  trans105.2147.7151.8-56.3-164.924.100119.4
576R29.8Very low29.3Very low215 Ų215144 Ų14481%0.81173%0.731SS**  cis-174.5148.7-44.5-130.4-169.6175.6-159.72113.3
577I29.1Very low29.6Very low131 Ų131143.9 Ų143.967%0.67274%0.736SS**  trans75142.4159.1-48.6152.4000114.4
578V30Very low29.8Very low124 Ų124141.2 Ų141.275%0.75274%0.737SS**  -161.9121.375.8166.30000114.2
579I30.3Very low30.5Very low144 Ų144144.2 Ų144.274%0.73874%0.741SS**  trans50.5133.2140.3-56.2176.1000119.8
580G29.9Very low31.7Very low69 Ų69141.8 Ų141.871%0.71173%0.732SS**  cis-162.8-133.411.200000111.2
581D32.3Very low32.7Very low141 Ų141137 Ų13775%0.75471%0.708SS**  cis174.8150.6-18.1-110.334.1000106.3
582V32.1Very low34.1Very low101 Ų101135.1 Ų135.161%0.61270%0.697SS**  cis-146.9138.1-0.5-159.50000105.7
583H34.2Very low35.2Very low148 Ų148127.1 Ų127.169%0.68566%0.662SS**  180124.994.9-100.6-89.8000112.7
584Q31.7Very low36.2Very low131 Ų131125.5 Ų125.561%0.61265%0.653SS**  45.4136.3124.3-71.1174.1-9.600121.3
585F30Very low37.7Very low176 Ų176129 Ų12977%0.77265%0.653SS**  cis-154.3134.12.4-91.3-69.2000110.7
586S32.6Very low38.9Very low125 Ų125123 Ų12387%0.87464%0.639SS**  trans176.8140.3132.740.30000114
587K31.2Very low40.4Very low204 Ų204115.6 Ų115.689%0.88762%0.62SS**  trans-32.1131.2-174.1-62.4167.3178.7175.20118.2
588P31.2Very low41.7Very low118 Ų118115 Ų11577%0.76662%0.618SS**  trans-78.4151.4172.433.5-35.3000113.2
589R39.7Very low43.4Very low217 Ų217109.8 Ų109.882%0.81959%0.587SS**  trans-102.3114.6176.4-73.8-179.3171.4-175.9-3.1111.2
590T49Very low45.2Very low86 Ų86109.1 Ų109.153%0.52858%0.584SS.*  trans-89.5142.6172.320.90000111.2F592 L598T590-F592 WeakPolarHBondContact O-CD2 3.09Å; T590-F592 VanDerWaalsContact OG1-CE2 3.29Å; T590-F592 WeakPolarHBondContact OG1-CE2 3.41Å; T590-L598 HydrophobicContact CG2-CD2 4.45Å
591S47.1Very low46.6Very low23 Ų23112.1 Ų112.116%0.16159%0.591CS.*  trans-85127.4174.8-163.70000110.5C599S591-C599 PolarHBondContact O-N 3.21Å
592F55.5Low48Very low98 Ų98106.3 Ų106.343%0.4357%0.565SS.*BIsolated β-bridgetrans-121147.4178.8-66.4-93.2000110.4T590 G596 S597 L598T590-F592 WeakPolarHBondContact O-CD2 3.09Å; T590-F592 VanDerWaalsContact OG1-CE2 3.29Å; T590-F592 WeakPolarHBondContact OG1-CE2 3.41Å; F592-G596 WeakPolarHBondContact CD1-O 3.29Å; F592-S597 CarbonylContact C-O 3.41Å; F592-S597 VanDerWaalsContact CA-O 3.23Å; F592-S597 WeakPolarHBondContact CA-O 3.48Å; F592-L598 HydrophobicContact CD1-CD1 4.05Å; F592-L598 HydrophobicContact CE1-CD1 3.44Å; F592-L598 VanDerWaalsContact CE1-CD1 3.44Å; F592-L598 HydrophobicContact CE1-CG 4.28Å; F592-L598 HydrophobicContact CZ-CD1 4.01Å
593D51.9Low50.2Low13 Ų13106.3 Ų106.37%0.0755%0.553CS.*  trans-72.3168.6166.694.4-34.9000111.3R595 G596 S597 H606D593-R595 PolarHBondContact O-N 3.21Å; D593-R595 WeakPolarHBondContact OD1-CA 3.33Å; D593-R595 WeakPolarHBondContact OD1-CB 3.45Å; D593-R595 PolarHBondContact OD1-N 2.78Å; D593-R595 IonicContact OD2-CZ 3.8Å; D593-R595 IonicContact OD2-NE 3.03Å; D593-R595 PolarHBondContact OD2-NE 3.09Å; D593-R595 IonicContact OD2-NH2 2.94Å; D593-R595 PolarHBondContact OD2-NH2 3.05Å; D593-G596 PolarHBondContact O-N 3.12Å; D593-G596 PolarHBondContact OD1-N 3.45Å; D593-G596 VanDerWaalsContact OD1-N 3.17Å; D593-S597 PolarHBondContact N-O 2.81Å; D593-S597 WeakPolarHBondContact OD1-CA 3.04Å; D593-S597 WeakPolarHBondContact OD1-CB 3.33Å; D593-S597 PolarHBondContact OD1-N 2.77Å; D593-S597 PolarHBondContact OD1-OG 3.14Å; D593-H606 WeakPolarHBondContact CA-O 3.39Å
594S53.1Low52.4Low65 Ų6599.3 Ų99.346%0.45552%0.521SS..THydrogen-bonded Turntrans-62.32.217752.80000115.8H606S594-H606 WeakPolarHBondContact CB-CE1 3.15Å; S594-H606 WeakPolarHBondContact CB-NE2 3.39Å; S594-H606 PolarHBondContact N-O 3.19Å; S594-H606 PolarHBondContact OG-CE1 3.16Å; S594-H606 PolarHBondContact OG-ND1 2.91Å; S594-H606 PolarHBondContact OG-O 3.17Å
595R60.2Low54.2Low200 Ų20093.7 Ų93.776%0.75550%0.498SS*.THydrogen-bonded Turntrans-115.96.9172.5-62166.6-68.6-152.8-7.4112.8D593D593-R595 PolarHBondContact O-N 3.21Å; D593-R595 WeakPolarHBondContact OD1-CA 3.33Å; D593-R595 WeakPolarHBondContact OD1-CB 3.45Å; D593-R595 PolarHBondContact OD1-N 2.78Å; D593-R595 IonicContact OD2-CZ 3.8Å; D593-R595 IonicContact OD2-NE 3.03Å; D593-R595 PolarHBondContact OD2-NE 3.09Å; D593-R595 IonicContact OD2-NH2 2.94Å; D593-R595 PolarHBondContact OD2-NH2 3.05Å
596G57.2Low56.1Low54 Ų5491.3 Ų91.356%0.55749%0.489SS*.SBendtrans7918.5-179.700000114.5F592 D593F592-G596 WeakPolarHBondContact CD1-O 3.29Å; D593-G596 PolarHBondContact O-N 3.12Å; D593-G596 PolarHBondContact OD1-N 3.45Å; D593-G596 VanDerWaalsContact OD1-N 3.17Å
597S60.6Low58.2Low59 Ų5990.3 Ų90.341%0.41347%0.474SS..PPolyproline II helixtrans-88.8138.8175.7-35.60000109.8F592 D593 C599F592-S597 CarbonylContact C-O 3.41Å; F592-S597 VanDerWaalsContact CA-O 3.23Å; F592-S597 WeakPolarHBondContact CA-O 3.48Å; D593-S597 PolarHBondContact N-O 2.81Å; D593-S597 WeakPolarHBondContact OD1-CA 3.04Å; D593-S597 WeakPolarHBondContact OD1-CB 3.33Å; D593-S597 PolarHBondContact OD1-N 2.77Å; D593-S597 PolarHBondContact OD1-OG 3.14Å; S597-C599 PolarHBondContact O-N 2.92Å
598L56.6Low60.3Low120 Ų12081.7 Ų81.763%0.62844%0.439SS*.BIsolated β-bridgetrans-60.3133.4172.7-95.779.6000110.7T590 F592T590-L598 HydrophobicContact CG2-CD2 4.45Å; F592-L598 HydrophobicContact CD1-CD1 4.05Å; F592-L598 HydrophobicContact CE1-CD1 3.44Å; F592-L598 VanDerWaalsContact CE1-CD1 3.44Å; F592-L598 HydrophobicContact CE1-CG 4.28Å; F592-L598 HydrophobicContact CZ-CD1 4.01Å
599C64.7Low62.6Low14 Ų1478.6 Ų78.610%0.09542%0.421CS..PPolyproline II helixtrans-65.7145.6164.1-66.90000110.6S591 S597 R603 C608S591-C599 PolarHBondContact O-N 3.21Å; S597-C599 PolarHBondContact O-N 2.92Å; C599-R603 HydrophobicContact CB-CB 4.37Å; C599-R603 WeakPolarHBondContact CB-O 3.38Å; C599-C608 WeakPolarHBondContact CA-SG 3.39Å; C599-C608 HydrophobicContact CB-CB 3.8Å; C599-C608 WeakPolarHBondContact CB-SG 3.28Å; C599-C608 WeakPolarHBondContact SG-CB 3.49Å; C599-C608 CovalentContact SG-SG 2.04Å; C599-C608 PolarHBondContact SG-SG 2.04Å
600L68.6Low64.6Low129 Ų12970.8 Ų70.868%0.67539%0.392SS*.PPolyproline II helixtrans-58144.1171.7-77.7142000110.3G602 R603L600-G602 PolarHBondContact O-N 3.38Å; L600-R603 WeakPolarHBondContact O-CB 3.04Å; L600-R603 PolarHBondContact O-N 2.84Å
601P59Low66.2Low132 Ų13268 Ų6886%0.85738%0.376SS*.THydrogen-bonded Turntrans-52.3125.2-177.4-28.935.7000113.2
602G61.9Low67.8Low20 Ų2069 Ų6921%0.20638%0.382CS..THydrogen-bonded Turntrans84.37.6-175.700000115.6L600 T611L600-G602 PolarHBondContact O-N 3.38Å; G602-T611 WeakPolarHBondContact O-CA 3.27Å; G602-T611 WeakPolarHBondContact O-CG2 3.33Å
603R79.2Confident69Low100 Ų10069.3 Ų69.338%0.37740%0.396SS..EExtended strand (participates in β ladder)trans-111.8146.9168.4-76.7-177.9161.7-73.3-8111.9C599 L600 C608 S609 F610 T611C599-R603 HydrophobicContact CB-CB 4.37Å; C599-R603 WeakPolarHBondContact CB-O 3.38Å; L600-R603 WeakPolarHBondContact O-CB 3.04Å; L600-R603 PolarHBondContact O-N 2.84Å; R603-C608 HydrophobicContact CB-CB 4.3Å; R603-C608 WeakPolarHBondContact CD-O 3.23Å; R603-C608 PolarHBondContact NH1-O 3.31Å; R603-S609 VanDerWaalsContact NH1-C 3.28Å; R603-S609 PolarHBondContact NH1-O 2.87Å; R603-F610 VanDerWaalsContact CA-O 3.23Å; R603-F610 WeakPolarHBondContact CA-O 3.44Å; R603-T611 HydrophobicContact CG-CG2 3.64Å
604F78.9Confident70.7Confident2 Ų272.4 Ų72.41%0.00941%0.41CS..EExtended strand (participates in β ladder)trans-153.7-179.1179.857.6-98.9000112.1C608 S609 F610 T626 C628 I637 I638F604-C608 CarbonylContact O-C 3.56Å; F604-C608 WeakPolarHBondContact O-CA 3.21Å; F604-S609 PolarHBondContact O-N 3.35Å; F604-F610 HydrophobicContact CD2-CB 3.79Å; F604-F610 HydrophobicContact CE2-CB 3.61Å; F604-F610 HydrophobicContact CE2-CG 4.47Å; F604-F610 HydrophobicContact CG-CB 4.48Å; F604-F610 HydrophobicContact CZ-CB 4.17Å; F604-F610 PolarHBondContact N-O 2.97Å; F604-F610 PolarHBondContact O-N 2.95Å; F604-T626 WeakPolarHBondContact CB-O 3.38Å; F604-C628 VanDerWaalsContact CZ-SG 3.59Å; F604-I637 HydrophobicContact CD2-CG2 4.17Å; F604-I637 HydrophobicContact CE2-CG2 4.37Å; F604-I638 HydrophobicContact CE2-CG2 4.07Å
605G69.6Low72.2Confident13 Ų1370.6 Ų70.613%0.13440%0.397CS..SBendtrans89.9167.1-17300000112.9D607 C608G605-D607 PolarHBondContact O-N 2.8Å; G605-C608 PolarHBondContact O-N 3.18Å
606H70.7Confident73.2Confident126 Ų12666 Ų6658%0.58338%0.384SS*.THydrogen-bonded Turntrans-52.7-33.2-170.5-171.7-90.2000114.5D593 S594D593-H606 WeakPolarHBondContact CA-O 3.39Å; S594-H606 WeakPolarHBondContact CB-CE1 3.15Å; S594-H606 WeakPolarHBondContact CB-NE2 3.39Å; S594-H606 PolarHBondContact N-O 3.19Å; S594-H606 PolarHBondContact OG-CE1 3.16Å; S594-H606 PolarHBondContact OG-ND1 2.91Å; S594-H606 PolarHBondContact OG-O 3.17Å
607D76.2Confident74.1Confident104 Ų10466.8 Ų66.856%0.55638%0.376SS*.THydrogen-bonded Turntrans-116.517.7-179.5-57.6-12.4000112G605 S609G605-D607 PolarHBondContact O-N 2.8Å; D607-S609 PolarHBondContact O-N 2.93Å; D607-S609 VanDerWaalsContact O-N 3.1Å
608C75.3Confident74.4Confident22 Ų2266.5 Ų66.515%0.14938%0.382CS..SBendtrans52.524.9-169.6-51.50000114.2C599 R603 F604 G605C599-C608 WeakPolarHBondContact CA-SG 3.39Å; C599-C608 HydrophobicContact CB-CB 3.8Å; C599-C608 WeakPolarHBondContact CB-SG 3.28Å; C599-C608 WeakPolarHBondContact SG-CB 3.49Å; C599-C608 CovalentContact SG-SG 2.04Å; C599-C608 PolarHBondContact SG-SG 2.04Å; R603-C608 HydrophobicContact CB-CB 4.3Å; R603-C608 WeakPolarHBondContact CD-O 3.23Å; R603-C608 PolarHBondContact NH1-O 3.31Å; F604-C608 CarbonylContact O-C 3.56Å; F604-C608 WeakPolarHBondContact O-CA 3.21Å; G605-C608 PolarHBondContact O-N 3.18Å
609S79.6Confident75.3Confident54 Ų5461.3 Ų61.338%0.37836%0.358SS..  trans-69.3-38-17547.60000113.1R603 F604 D607R603-S609 VanDerWaalsContact NH1-C 3.28Å; R603-S609 PolarHBondContact NH1-O 2.87Å; F604-S609 PolarHBondContact O-N 3.35Å; D607-S609 PolarHBondContact O-N 2.93Å; D607-S609 VanDerWaalsContact O-N 3.1Å
610F81.6Confident76Confident52 Ų5268.9 Ų68.923%0.22838%0.384CS..EExtended strand (participates in β ladder)trans-85.9166.3-175.1-51.3-56.8000112.4R603 F604 H614 I637 I638R603-F610 VanDerWaalsContact CA-O 3.23Å; R603-F610 WeakPolarHBondContact CA-O 3.44Å; F604-F610 HydrophobicContact CD2-CB 3.79Å; F604-F610 HydrophobicContact CE2-CB 3.61Å; F604-F610 HydrophobicContact CE2-CG 4.47Å; F604-F610 HydrophobicContact CG-CB 4.48Å; F604-F610 HydrophobicContact CZ-CB 4.17Å; F604-F610 PolarHBondContact N-O 2.97Å; F604-F610 PolarHBondContact O-N 2.95Å; F610-H614 HydrophobicContact CB-CB 4.36Å; F610-H614 HydrophobicContact CD1-CB 4.32Å; F610-I637 HydrophobicContact CD2-CG2 3.66Å; F610-I637 HydrophobicContact CE2-CB 4.41Å; F610-I637 HydrophobicContact CE2-CG2 3.87Å; F610-I638 HydrophobicContact CB-CG2 4.04Å; F610-I638 HydrophobicContact CD1-CG2 3.9Å; F610-I638 HydrophobicContact CD2-CG2 4Å; F610-I638 HydrophobicContact CE1-CD1 4.34Å; F610-I638 HydrophobicContact CE1-CG2 4.36Å; F610-I638 HydrophobicContact CE2-CG2 4.46Å; F610-I638 HydrophobicContact CG-CG2 3.71Å
611T83.3Confident76.6Confident28 Ų2864.4 Ų64.417%0.17236%0.364CS..EExtended strand (participates in β ladder)trans-150.6165.5-179.449.10000107.5G602 R603 S613 H614G602-T611 WeakPolarHBondContact O-CA 3.27Å; G602-T611 WeakPolarHBondContact O-CG2 3.33Å; R603-T611 HydrophobicContact CG-CG2 3.64Å; T611-S613 PolarHBondContact O-N 2.03Å; T611-S613 PolarHBondContact OG1-OG 2.84Å; T611-H614 PolarHBondContact N-ND1 2.73Å; T611-H614 VanDerWaalsContact N-ND1 3.18Å; T611-H614 WeakPolarHBondContact O-CB 3.23Å; T611-H614 PolarHBondContact O-N 3.29Å; T611-H614 PolarHBondContact O-ND1 2.98Å; T611-H614 PolarHBondContact OG1-CE1 2.93Å; T611-H614 VanDerWaalsContact OG1-CE1 3.27Å; T611-H614 PolarHBondContact OG1-ND1 2.89Å
612C80Confident77.2Confident44 Ų4459.5 Ų59.530%0.29733%0.33SS..G310 helixtrans-51.7-24.8178.2-63.50000115.6H614 C621C612-H614 PolarHBondContact O-N 2.9Å; C612-C621 WeakPolarHBondContact CA-SG 3.33Å; C612-C621 HydrophobicContact CB-CB 3.41Å; C612-C621 VanDerWaalsContact CB-CB 3.41Å; C612-C621 WeakPolarHBondContact CB-SG 3.38Å; C612-C621 WeakPolarHBondContact SG-CB 3.25Å; C612-C621 CovalentContact SG-SG 2.03Å; C612-C621 PolarHBondContact SG-SG 2.74Å
613S80.3Confident77.6Confident104 Ų10470 Ų7073%0.72736%0.363SS*.G310 helixtrans-74.8-5.5175.558.80000114.8T611T611-S613 PolarHBondContact O-N 2.03Å; T611-S613 PolarHBondContact OG1-OG 2.84Å
614H87.9Confident77Confident79 Ų7970 Ų7037%0.36637%0.371SS..G310 helixtrans-97.6-7.1176.7-6693.8000112.6F610 T611 C612 E616 I638F610-H614 HydrophobicContact CB-CB 4.36Å; F610-H614 HydrophobicContact CD1-CB 4.32Å; T611-H614 PolarHBondContact N-ND1 2.73Å; T611-H614 VanDerWaalsContact N-ND1 3.18Å; T611-H614 WeakPolarHBondContact O-CB 3.23Å; T611-H614 PolarHBondContact O-N 3.29Å; T611-H614 PolarHBondContact O-ND1 2.98Å; T611-H614 PolarHBondContact OG1-CE1 2.93Å; T611-H614 VanDerWaalsContact OG1-CE1 3.27Å; T611-H614 PolarHBondContact OG1-ND1 2.89Å; C612-H614 PolarHBondContact O-N 2.9Å; H614-E616 WeakPolarHBondContact O-CG 3.4Å; H614-E616 PolarHBondContact O-N 2.03Å; H614-E616 VanDerWaalsContact O-N 3.15Å; H614-I638 HydrophobicContact CB-CG2 3.92Å; H614-I638 WeakPolarHBondContact O-CB 3.37Å
615C84.5Confident76.6Confident26 Ų2674 Ų7418%0.17639%0.392CS..  trans-64.7115.5177.2-57.10000110.2G619 C628C615-G619 WeakPolarHBondContact CB-O 3Å; C615-C628 WeakPolarHBondContact CA-SG 3.27Å; C615-C628 HydrophobicContact CB-CB 3.91Å; C615-C628 WeakPolarHBondContact CB-SG 3.45Å; C615-C628 WeakPolarHBondContact SG-CB 3.28Å; C615-C628 CovalentContact SG-SG 2.04Å; C615-C628 PolarHBondContact SG-SG 3.45Å
616E81.5Confident76.7Confident103 Ų10375.1 Ų75.148%0.48140%0.396SS..  trans-94.3177.1-179.5-53-164.4159.100111.2H614 G618 G619 I638H614-E616 WeakPolarHBondContact O-CG 3.4Å; H614-E616 PolarHBondContact O-N 2.03Å; H614-E616 VanDerWaalsContact O-N 3.15Å; E616-G618 PolarHBondContact O-N 3.08Å; E616-G619 PolarHBondContact O-N 2.82Å; E616-I638 HydrophobicContact CG-CD1 4.45Å; E616-I638 PolarHBondContact N-O 2.02Å
617N75.3Confident77.1Confident71 Ų7169.7 Ų69.738%0.3837%0.374SS..THydrogen-bonded Turntrans5132.6168.8-59.2-47.7000116.2G619 Y634 C639N617-G619 VanDerWaalsContact C-N 3.34Å; N617-Y634 HydrophobicContact CB-CD1 3.48Å; N617-Y634 VanDerWaalsContact CB-CD1 3.48Å; N617-Y634 HydrophobicContact CB-CD2 3.89Å; N617-Y634 HydrophobicContact CB-CE1 3.54Å; N617-Y634 HydrophobicContact CB-CE2 3.96Å; N617-Y634 HydrophobicContact CB-CG 3.66Å; N617-C639 PolarHBondContact ND2-O 2.87Å
618G67Low77.5Confident54 Ų5465.7 Ų65.756%0.55736%0.355SS*.THydrogen-bonded Turntrans87.4-6.4179.400000115.3E616 R620 S631E616-G618 PolarHBondContact O-N 3.08Å; G618-R620 PolarHBondContact O-N 3.12Å; G618-S631 PolarHBondContact O-OG 2.93Å; G618-S631 VanDerWaalsContact O-OG 3.06Å
619G75.4Confident77.9Confident11 Ų1169.6 Ų69.611%0.11337%0.371CS..PPolyproline II helixtrans-54.8128.8179.700000112.4C615 E616 N617 E629C615-G619 WeakPolarHBondContact CB-O 3Å; E616-G619 PolarHBondContact O-N 2.82Å; N617-G619 VanDerWaalsContact C-N 3.34Å; G619-E629 CarbonylContact C-O 3.53Å; G619-E629 VanDerWaalsContact CA-O 3.29Å; G619-E629 WeakPolarHBondContact CA-O 3.11Å
620R80.6Confident78.1Confident173 Ų17367.2 Ų67.265%0.65335%0.354SS*.EExtended strand (participates in β ladder)trans-91.9146.8177.4-63.9-172.5-178.1173.28.3109G618 N622 C628 E629G618-R620 PolarHBondContact O-N 3.12Å; R620-N622 PolarHBondContact O-N 2.92Å; R620-C628 CarbonylContact O-C 3.49Å; R620-C628 WeakPolarHBondContact O-CA 2.98Å; R620-E629 PolarHBondContact N-O 2.75Å; R620-E629 PolarHBondContact O-N 2.03Å
621C80.4Confident78.1Confident35 Ų3567 Ų6724%0.23636%0.358CS..EExtended strand (participates in β ladder)trans-67.7133.3171.9-1520000109.2C612 L625C612-C621 WeakPolarHBondContact CA-SG 3.33Å; C612-C621 HydrophobicContact CB-CB 3.41Å; C612-C621 VanDerWaalsContact CB-CB 3.41Å; C612-C621 WeakPolarHBondContact CB-SG 3.38Å; C612-C621 WeakPolarHBondContact SG-CB 3.25Å; C612-C621 CovalentContact SG-SG 2.03Å; C612-C621 PolarHBondContact SG-SG 2.74Å; C621-L625 HydrophobicContact CB-CD2 4.49Å
622N72.3Confident78.2Confident29 Ų2967.5 Ų67.516%0.15536%0.363CS..PPolyproline II helixtrans-64.1161.1-175.879.42000111.7R620 D624 L625 T626 G627 E629R620-N622 PolarHBondContact O-N 2.92Å; N622-D624 PolarHBondContact O-N 3.35Å; N622-D624 PolarHBondContact OD1-N 3.01Å; N622-L625 PolarHBondContact O-N 3Å; N622-L625 WeakPolarHBondContact OD1-CA 3.48Å; N622-L625 PolarHBondContact OD1-N 3.06Å; N622-T626 PolarHBondContact ND2-OG1 3.48Å; N622-T626 PolarHBondContact OD1-N 3.39Å; N622-T626 PolarHBondContact OD1-OG1 2.8Å; N622-G627 WeakPolarHBondContact CB-O 3Å; N622-G627 PolarHBondContact N-O 3.39Å; N622-G627 PolarHBondContact ND2-N 2.7Å; N622-G627 PolarHBondContact OD1-N 2.74Å; N622-E629 WeakPolarHBondContact CA-OE1 3.44Å; N622-E629 HydrophobicContact CB-CG 3.75Å; N622-E629 VanDerWaalsContact CB-OE1 3.25Å; N622-E629 WeakPolarHBondContact CB-OE1 3.46Å
623R69.7Low78.2Confident239 Ų23965.4 Ų65.490%0.90235%0.349SS*.THydrogen-bonded Turntrans-60.3-21.4-171.6-148.6175.5-173.5-173.61.8114.8E629R623-E629 PolarHBondContact N-OE1 3Å
624D66.1Low78.6Confident102 Ų10262.7 Ų62.755%0.54532%0.323SS..THydrogen-bonded Turntrans-95-5.2178.1-68.6-28.9000113.9N622 T626N622-D624 PolarHBondContact O-N 3.35Å; N622-D624 PolarHBondContact OD1-N 3.01Å; D624-T626 VanDerWaalsContact C-N 3.26Å; D624-T626 HydrophobicContact CB-CG2 3.99Å; D624-T626 PolarHBondContact O-N 2.8Å
625L72.1Confident78.4Confident85 Ų8562 Ų6245%0.44532%0.319SS..SBendtrans59.429.9-172.1-43.3176000114.2C621 N622C621-L625 HydrophobicContact CB-CD2 4.49Å; N622-L625 PolarHBondContact O-N 3Å; N622-L625 WeakPolarHBondContact OD1-CA 3.48Å; N622-L625 PolarHBondContact OD1-N 3.06Å
626T71.8Confident78.3Confident36 Ų3662.5 Ų62.522%0.22133%0.329CS..SBendtrans-104.80.6-177.554.70000114.4F604 N622 D624F604-T626 WeakPolarHBondContact CB-O 3.38Å; N622-T626 PolarHBondContact ND2-OG1 3.48Å; N622-T626 PolarHBondContact OD1-N 3.39Å; N622-T626 PolarHBondContact OD1-OG1 2.8Å; D624-T626 VanDerWaalsContact C-N 3.26Å; D624-T626 HydrophobicContact CB-CG2 3.99Å; D624-T626 PolarHBondContact O-N 2.8Å
627G77.8Confident78.3Confident12 Ų1261.6 Ų61.612%0.12433%0.326CS..SBendtrans174.8-175.4177.900000112.3N622N622-G627 WeakPolarHBondContact CB-O 3Å; N622-G627 PolarHBondContact N-O 3.39Å; N622-G627 PolarHBondContact ND2-N 2.7Å; N622-G627 PolarHBondContact OD1-N 2.74Å
628C84.5Confident78.8Confident21 Ų2159.1 Ų59.114%0.14231%0.313CS..EExtended strand (participates in β ladder)trans-97.4142.3170.9-51.80000110.9F604 C615 R620 C639F604-C628 VanDerWaalsContact CZ-SG 3.59Å; C615-C628 WeakPolarHBondContact CA-SG 3.27Å; C615-C628 HydrophobicContact CB-CB 3.91Å; C615-C628 WeakPolarHBondContact CB-SG 3.45Å; C615-C628 WeakPolarHBondContact SG-CB 3.28Å; C615-C628 CovalentContact SG-SG 2.04Å; C615-C628 PolarHBondContact SG-SG 3.45Å; R620-C628 CarbonylContact O-C 3.49Å; R620-C628 WeakPolarHBondContact O-CA 2.98Å; C628-C639 VanDerWaalsContact CB-SG 3.54Å
629E84.9Confident79.8Confident104 Ų10456.5 Ų56.549%0.48629%0.286SS..EExtended strand (participates in β ladder)trans-92.7113.8162-75.9163.1-156.100106.9G619 R620 N622 R623G619-E629 CarbonylContact C-O 3.53Å; G619-E629 VanDerWaalsContact CA-O 3.29Å; G619-E629 WeakPolarHBondContact CA-O 3.11Å; R620-E629 PolarHBondContact N-O 2.75Å; R620-E629 PolarHBondContact O-N 2.03Å; N622-E629 WeakPolarHBondContact CA-OE1 3.44Å; N622-E629 HydrophobicContact CB-CG 3.75Å; N622-E629 VanDerWaalsContact CB-OE1 3.25Å; N622-E629 WeakPolarHBondContact CB-OE1 3.46Å; R623-E629 PolarHBondContact N-OE1 3Å
630C84.1Confident80.1Confident4 Ų459.7 Ų59.73%0.02730%0.298CS..PPolyproline II helixtrans-85.9132.1-170.3-61.40000112.6Y634 C639 D651C630-Y634 WeakPolarHBondContact CB-O 3.34Å; C630-C639 WeakPolarHBondContact CA-SG 3.3Å; C630-C639 HydrophobicContact CB-CB 3.83Å; C630-C639 WeakPolarHBondContact CB-SG 3.46Å; C630-C639 WeakPolarHBondContact SG-CA 3.32Å; C630-C639 WeakPolarHBondContact SG-CB 3.13Å; C630-C639 CovalentContact SG-SG 2.04Å; C630-C639 PolarHBondContact SG-SG 3.33Å; C630-D651 PolarHBondContact N-OD1 3.36Å
631S81Confident80.2Confident46 Ų4656 Ų5632%0.32229%0.288SS..PPolyproline II helixtrans-56.5153.3171.6-60.70000111.5G618 G633 Y634G618-S631 PolarHBondContact O-OG 2.93Å; G618-S631 VanDerWaalsContact O-OG 3.06Å; S631-G633 PolarHBondContact O-N 3.19Å; S631-Y634 PolarHBondContact O-N 3.39Å; S631-Y634 VanDerWaalsContact O-N 3.14Å
632S84.2Confident80.2Confident39 Ų3961 Ų6127%0.27331%0.306SS..THydrogen-bonded Turntrans-51.3129.5178.1-62.70000111.7G649 V650 V667S632-G649 VanDerWaalsContact CA-C 3.49Å; S632-G649 WeakPolarHBondContact CA-O 3.4Å; S632-V650 PolarHBondContact OG-N 3.5Å; S632-V667 VanDerWaalsContact CB-O 3.29Å; S632-V667 WeakPolarHBondContact CB-O 3.28Å
633G81.6Confident80.7Confident0 Ų060.4 Ų60.40%030%0.304CS..THydrogen-bonded Turntrans101.4-6.9-176.400000115.8S631 K642 C643 G649 S666S631-G633 PolarHBondContact O-N 3.19Å; G633-K642 WeakPolarHBondContact O-CA 3.46Å; G633-C643 WeakPolarHBondContact CA-SG 3.03Å; G633-C643 PolarHBondContact O-N 2.86Å; G633-C643 PolarHBondContact O-SG 3.34Å; G633-C643 VanDerWaalsContact O-SG 3.41Å; G633-G649 PolarHBondContact N-O 3.39Å; G633-S666 WeakPolarHBondContact CA-O 3.45Å; G633-S666 PolarHBondContact N-O 3.15Å
634Y87.4Confident81.2Confident48 Ų4851.9 Ų51.919%0.18828%0.279CS..EExtended strand (participates in β ladder)trans-131.2154.4-176-62.3-87000114N617 C630 S631 E641 K642N617-Y634 HydrophobicContact CB-CD1 3.48Å; N617-Y634 VanDerWaalsContact CB-CD1 3.48Å; N617-Y634 HydrophobicContact CB-CD2 3.89Å; N617-Y634 HydrophobicContact CB-CE1 3.54Å; N617-Y634 HydrophobicContact CB-CE2 3.96Å; N617-Y634 HydrophobicContact CB-CG 3.66Å; C630-Y634 WeakPolarHBondContact CB-O 3.34Å; S631-Y634 PolarHBondContact O-N 3.39Å; S631-Y634 VanDerWaalsContact O-N 3.14Å; Y634-E641 CarbonylContact C-O 3.5Å; Y634-E641 VanDerWaalsContact CA-O 3.27Å; Y634-E641 WeakPolarHBondContact CA-O 3.24Å; Y634-K642 HydrophobicContact CD1-CG 4.06Å; Y634-K642 HydrophobicContact CE1-CD 4.42Å; Y634-K642 HydrophobicContact CE1-CG 3.64Å
635K84.8Confident81.7Confident65 Ų6555.3 Ų55.328%0.28329%0.289SS..EExtended strand (participates in β ladder)trans-147.5175.2174.570.3-173.8-179.375.60110.3C639 E640 E641 C652K635-C639 CarbonylContact O-C 3.58Å; K635-C639 WeakPolarHBondContact O-CA 3.49Å; K635-E640 PolarHBondContact O-N 2.85Å; K635-E641 HydrophobicContact CG-CB 3.87Å; K635-E641 PolarHBondContact N-O 3.47Å; K635-E641 IonicContact NZ-OE2 3.15Å; K635-E641 PolarHBondContact NZ-OE2 3.43Å; K635-E641 WeakPolarHBondContact O-CA 3.48Å; K635-E641 WeakPolarHBondContact O-CB 3.36Å; K635-E641 PolarHBondContact O-N 3.41Å; K635-E641 VanDerWaalsContact O-O 3.08Å; K635-C652 HydrophobicContact CD-CB 4.47Å
636G81.7Confident81.9Confident36 Ų3652.5 Ų52.537%0.37128%0.281SS..SBendtrans121.6-174.6179.900000111.9E640G636-E640 VanDerWaalsContact CA-OE2 3.26Å; G636-E640 WeakPolarHBondContact CA-OE2 3.49Å
637I81.3Confident82.4Confident84 Ų8452.6 Ų52.643%0.43128%0.28SS..SBendtrans-81-29.1179.3-61.7176.6000110.5F604 F610 E640F604-I637 HydrophobicContact CD2-CG2 4.17Å; F604-I637 HydrophobicContact CE2-CG2 4.37Å; F610-I637 HydrophobicContact CD2-CG2 3.66Å; F610-I637 HydrophobicContact CE2-CB 4.41Å; F610-I637 HydrophobicContact CE2-CG2 3.87Å; I637-E640 PolarHBondContact N-OE1 3.04Å; I637-E640 PolarHBondContact N-OE2 3.41Å
638I86.6Confident82.8Confident18 Ų1854.8 Ų54.89%0.09229%0.285CS..SBendtrans-123.917.8178.257.9168.4000112.2F604 F610 H614 E616 E640F604-I638 HydrophobicContact CE2-CG2 4.07Å; F610-I638 HydrophobicContact CB-CG2 4.04Å; F610-I638 HydrophobicContact CD1-CG2 3.9Å; F610-I638 HydrophobicContact CD2-CG2 4Å; F610-I638 HydrophobicContact CE1-CD1 4.34Å; F610-I638 HydrophobicContact CE1-CG2 4.36Å; F610-I638 HydrophobicContact CE2-CG2 4.46Å; F610-I638 HydrophobicContact CG-CG2 3.71Å; H614-I638 HydrophobicContact CB-CG2 3.92Å; H614-I638 WeakPolarHBondContact O-CB 3.37Å; E616-I638 HydrophobicContact CG-CD1 4.45Å; E616-I638 PolarHBondContact N-O 2.02Å; I638-E640 VanDerWaalsContact C-N 3.28Å; I638-E640 VanDerWaalsContact C-OE2 3.3Å; I638-E640 WeakPolarHBondContact CA-OE2 3.14Å; I638-E640 HydrophobicContact CD1-CB 4.41Å; I638-E640 HydrophobicContact CG1-CB 3.97Å; I638-E640 HydrophobicContact CG1-CG 4.08Å; I638-E640 VanDerWaalsContact CG1-OE2 3.28Å; I638-E640 WeakPolarHBondContact CG1-OE2 3.35Å; I638-E640 PolarHBondContact N-OE2 2.64Å; I638-E640 PolarHBondContact O-N 3.07Å
639C86.9Confident82.5Confident0 Ų053.8 Ų53.80%028%0.278CS..SBendtrans64.327.4-177.9-48.10000114.5N617 C628 C630 K635N617-C639 PolarHBondContact ND2-O 2.87Å; C628-C639 VanDerWaalsContact CB-SG 3.54Å; C630-C639 WeakPolarHBondContact CA-SG 3.3Å; C630-C639 HydrophobicContact CB-CB 3.83Å; C630-C639 WeakPolarHBondContact CB-SG 3.46Å; C630-C639 WeakPolarHBondContact SG-CA 3.32Å; C630-C639 WeakPolarHBondContact SG-CB 3.13Å; C630-C639 CovalentContact SG-SG 2.04Å; C630-C639 PolarHBondContact SG-SG 3.33Å; K635-C639 CarbonylContact O-C 3.58Å; K635-C639 WeakPolarHBondContact O-CA 3.49Å
640E82.4Confident82.3Confident77 Ų7752.5 Ų52.536%0.3628%0.277SS..  trans-73-23.9-177.764.6-80.7-141.600114.2K635 G636 I637 I638K635-E640 PolarHBondContact O-N 2.85Å; G636-E640 VanDerWaalsContact CA-OE2 3.26Å; G636-E640 WeakPolarHBondContact CA-OE2 3.49Å; I637-E640 PolarHBondContact N-OE1 3.04Å; I637-E640 PolarHBondContact N-OE2 3.41Å; I638-E640 VanDerWaalsContact C-N 3.28Å; I638-E640 VanDerWaalsContact C-OE2 3.3Å; I638-E640 WeakPolarHBondContact CA-OE2 3.14Å; I638-E640 HydrophobicContact CD1-CB 4.41Å; I638-E640 HydrophobicContact CG1-CB 3.97Å; I638-E640 HydrophobicContact CG1-CG 4.08Å; I638-E640 VanDerWaalsContact CG1-OE2 3.28Å; I638-E640 WeakPolarHBondContact CG1-OE2 3.35Å; I638-E640 PolarHBondContact N-OE2 2.64Å; I638-E640 PolarHBondContact O-N 3.07Å
641E82.2Confident81.9Confident95 Ų9555 Ų5544%0.44429%0.29SS..EExtended strand (participates in β ladder)trans-99.6139.9-176-50.6-173.8136.400111.5Y634 K635Y634-E641 CarbonylContact C-O 3.5Å; Y634-E641 VanDerWaalsContact CA-O 3.27Å; Y634-E641 WeakPolarHBondContact CA-O 3.24Å; K635-E641 HydrophobicContact CG-CB 3.87Å; K635-E641 PolarHBondContact N-O 3.47Å; K635-E641 IonicContact NZ-OE2 3.15Å; K635-E641 PolarHBondContact NZ-OE2 3.43Å; K635-E641 WeakPolarHBondContact O-CA 3.48Å; K635-E641 WeakPolarHBondContact O-CB 3.36Å; K635-E641 PolarHBondContact O-N 3.41Å; K635-E641 VanDerWaalsContact O-O 3.08Å
642K80.4Confident82Confident141 Ų14153.1 Ų53.161%0.61328%0.277SS*.EExtended strand (participates in β ladder)trans-76.5160.8168.6-69.2-172.4175.8-170.80111.5G633 Y634G633-K642 WeakPolarHBondContact O-CA 3.46Å; Y634-K642 HydrophobicContact CD1-CG 4.06Å; Y634-K642 HydrophobicContact CE1-CD 4.42Å; Y634-K642 HydrophobicContact CE1-CG 3.64Å
643C82.6Confident81.8Confident17 Ų1758.1 Ų58.112%0.11529%0.294CS..PPolyproline II helixtrans-57.5141.3171.5-61.70000111.9G633 L647 C652G633-C643 WeakPolarHBondContact CA-SG 3.03Å; G633-C643 PolarHBondContact O-N 2.86Å; G633-C643 PolarHBondContact O-SG 3.34Å; G633-C643 VanDerWaalsContact O-SG 3.41Å; C643-L647 HydrophobicContact CB-CB 4.42Å; C643-L647 VanDerWaalsContact CB-O 3.23Å; C643-L647 WeakPolarHBondContact CB-O 3.26Å; C643-C652 WeakPolarHBondContact CA-SG 3.34Å; C643-C652 HydrophobicContact CB-CB 3.73Å; C643-C652 WeakPolarHBondContact CB-SG 3.21Å; C643-C652 VanDerWaalsContact SG-CA 3.53Å; C643-C652 WeakPolarHBondContact SG-CB 3.38Å; C643-C652 CovalentContact SG-SG 2.03Å; C643-C652 PolarHBondContact SG-SG 3.26Å
644P80.7Confident81.6Confident59 Ų5962.8 Ų62.838%0.38332%0.316SS..PPolyproline II helixtrans-61.6155.4166.8-17.532.2000110.5G646 L647P644-G646 PolarHBondContact O-N 2.87Å; P644-L647 HydrophobicContact CB-CD1 4.31Å; P644-L647 HydrophobicContact CG-CD1 4.05Å; P644-L647 PolarHBondContact O-N 3.16Å; P644-L647 VanDerWaalsContact O-N 3.1Å
645K76.3Confident81.3Confident174 Ų17469.3 Ų69.376%0.75734%0.341SS*.THydrogen-bonded Turntrans-51.7138.8171.8-66.9-176.1164.4-103.60110.7L647 D663K645-L647 VanDerWaalsContact C-N 3.34Å; K645-D663 WeakPolarHBondContact CA-OD1 3.41Å; K645-D663 WeakPolarHBondContact CD-OD2 3.35Å; K645-D663 WeakPolarHBondContact CE-OD2 3.47Å; K645-D663 WeakPolarHBondContact CG-OD2 3.5Å; K645-D663 IonicContact NZ-OD2 3.43Å; K645-D663 PolarHBondContact NZ-OD2 3.35Å
646G75.9Confident80.9Confident27 Ų2767.5 Ų67.528%0.27834%0.337SS..THydrogen-bonded Turntrans81.52.1-17600000115.9P644 Y655 C656 D663P644-G646 PolarHBondContact O-N 2.87Å; G646-Y655 CarbonylContact O-C 3.51Å; G646-Y655 WeakPolarHBondContact O-CA 3.3Å; G646-C656 WeakPolarHBondContact CA-SG 3.37Å; G646-C656 PolarHBondContact O-N 2.77Å; G646-D663 PolarHBondContact N-OD1 2.84Å
647L83.2Confident80.8Confident38 Ų3870.1 Ų70.120%0.19934%0.342CS..EExtended strand (participates in β ladder)trans-127.4144.8178.3-69171.4000113.1C643 P644 K645 C652 Q654 Y655C643-L647 HydrophobicContact CB-CB 4.42Å; C643-L647 VanDerWaalsContact CB-O 3.23Å; C643-L647 WeakPolarHBondContact CB-O 3.26Å; P644-L647 HydrophobicContact CB-CD1 4.31Å; P644-L647 HydrophobicContact CG-CD1 4.05Å; P644-L647 PolarHBondContact O-N 3.16Å; P644-L647 VanDerWaalsContact O-N 3.1Å; K645-L647 VanDerWaalsContact C-N 3.34Å; L647-C652 HydrophobicContact CB-CB 4.3Å; L647-Q654 CarbonylContact C-O 3.49Å; L647-Q654 VanDerWaalsContact CA-O 3.27Å; L647-Q654 WeakPolarHBondContact CA-O 3.02Å; L647-Q654 WeakPolarHBondContact CD2-O 3.02Å; L647-Y655 HydrophobicContact CD2-CD1 3.57Å; L647-Y655 HydrophobicContact CD2-CD2 4.3Å; L647-Y655 HydrophobicContact CD2-CE1 3.62Å; L647-Y655 HydrophobicContact CD2-CE2 4.33Å; L647-Y655 HydrophobicContact CD2-CG 3.93Å
648W85.8Confident80.6Confident57 Ų5767.4 Ų67.422%0.21633%0.33CS..EExtended strand (participates in β ladder)trans-147.9175.1-178.870.8-81000113.3C652 K653 Q654 Y655 S666 T668 G669W648-C652 CarbonylContact O-C 3.57Å; W648-K653 PolarHBondContact O-N 3.5Å; W648-Q654 HydrophobicContact CD2-CB 3.89Å; W648-Q654 HydrophobicContact CG-CB 4.11Å; W648-Q654 HydrophobicContact CZ2-CB 4.01Å; W648-Q654 HydrophobicContact CZ2-CG 4.49Å; W648-Q654 VanDerWaalsContact CZ2-OE1 3.29Å; W648-Q654 PolarHBondContact N-O 2.79Å; W648-Q654 PolarHBondContact O-N 2.04Å; W648-Y655 VanDerWaalsContact CD1-C 3.49Å; W648-Y655 PolarHBondContact NE1-O 3.5Å; W648-S666 CarbonylContact C-O 3.52Å; W648-S666 VanDerWaalsContact CA-O 3.23Å; W648-S666 WeakPolarHBondContact CA-O 3.35Å; W648-S666 WeakPolarHBondContact CB-O 3.41Å; W648-T668 VanDerWaalsContact CE3-C 3.47Å; W648-T668 WeakPolarHBondContact CZ3-O 3.42Å; W648-G669 VanDerWaalsContact CE3-N 3.33Å; W648-G669 VanDerWaalsContact CG-CA 3.48Å
649G78.4Confident79.8Confident0 Ų067.8 Ų67.80%034%0.337CS..SBendtrans79.7-173.8175.200000114S632 G633 D651 C652 S666S632-G649 VanDerWaalsContact CA-C 3.49Å; S632-G649 WeakPolarHBondContact CA-O 3.4Å; G633-G649 PolarHBondContact N-O 3.39Å; G649-D651 PolarHBondContact O-N 3.24Å; G649-C652 WeakPolarHBondContact O-CA 3.21Å; G649-C652 PolarHBondContact O-N 3.1Å; G649-S666 PolarHBondContact N-O 3.37Å
650V80.3Confident78.5Confident78 Ų7873.6 Ų73.647%0.47337%0.368SS..G310 helixtrans-57.1129.2-178176.60000110.8S632 C652 K653S632-V650 PolarHBondContact OG-N 3.5Å; V650-C652 PolarHBondContact O-N 3.39Å; V650-K653 PolarHBondContact O-N 3.09Å
651D75.1Confident77.5Confident55 Ų5578.2 Ų78.229%0.29440%0.395SS..G310 helixtrans48.623.6-171.1-50.9-41.9000114.6C630 G649 K653C630-D651 PolarHBondContact N-OD1 3.36Å; G649-D651 PolarHBondContact O-N 3.24Å; D651-K653 VanDerWaalsContact C-N 3.32Å; D651-K653 HydrophobicContact CB-CD 4.01Å; D651-K653 HydrophobicContact CB-CG 4.18Å; D651-K653 PolarHBondContact O-N 3.21Å; D651-K653 WeakPolarHBondContact OD2-CE 3.04Å; D651-K653 IonicContact OD2-NZ 2.67Å; D651-K653 PolarHBondContact OD2-NZ 2.87Å
652C83.2Confident76.9Confident8 Ų874.7 Ų74.75%0.05438%0.379CS..G310 helixtrans58.135.8-178.6-50.90000114.8K635 C643 L647 W648 G649 V650K635-C652 HydrophobicContact CD-CB 4.47Å; C643-C652 WeakPolarHBondContact CA-SG 3.34Å; C643-C652 HydrophobicContact CB-CB 3.73Å; C643-C652 WeakPolarHBondContact CB-SG 3.21Å; C643-C652 VanDerWaalsContact SG-CA 3.53Å; C643-C652 WeakPolarHBondContact SG-CB 3.38Å; C643-C652 CovalentContact SG-SG 2.03Å; C643-C652 PolarHBondContact SG-SG 3.26Å; L647-C652 HydrophobicContact CB-CB 4.3Å; W648-C652 CarbonylContact O-C 3.57Å; G649-C652 WeakPolarHBondContact O-CA 3.21Å; G649-C652 PolarHBondContact O-N 3.1Å; V650-C652 PolarHBondContact O-N 3.39Å
653K80.3Confident76.6Confident144 Ų14470.2 Ų70.263%0.62636%0.362SS*.  trans-86-10-172.9-73.7165.2177155.90115.8W648 V650 D651W648-K653 PolarHBondContact O-N 3.5Å; V650-K653 PolarHBondContact O-N 3.09Å; D651-K653 VanDerWaalsContact C-N 3.32Å; D651-K653 HydrophobicContact CB-CD 4.01Å; D651-K653 HydrophobicContact CB-CG 4.18Å; D651-K653 PolarHBondContact O-N 3.21Å; D651-K653 WeakPolarHBondContact OD2-CE 3.04Å; D651-K653 IonicContact OD2-NZ 2.67Å; D651-K653 PolarHBondContact OD2-NZ 2.87Å
654Q78Confident76.5Confident98 Ų9869.8 Ų69.846%0.45836%0.359SS..EExtended strand (participates in β ladder)trans-105.9145-178.2-57.9-167.164.300110.8L647 W648L647-Q654 CarbonylContact C-O 3.49Å; L647-Q654 VanDerWaalsContact CA-O 3.27Å; L647-Q654 WeakPolarHBondContact CA-O 3.02Å; L647-Q654 WeakPolarHBondContact CD2-O 3.02Å; W648-Q654 HydrophobicContact CD2-CB 3.89Å; W648-Q654 HydrophobicContact CG-CB 4.11Å; W648-Q654 HydrophobicContact CZ2-CB 4.01Å; W648-Q654 HydrophobicContact CZ2-CG 4.49Å; W648-Q654 VanDerWaalsContact CZ2-OE1 3.29Å; W648-Q654 PolarHBondContact N-O 2.79Å; W648-Q654 PolarHBondContact O-N 2.04Å
655Y81.5Confident76.5Confident184 Ų18469.3 Ų69.372%0.72235%0.354SS*.EExtended strand (participates in β ladder)trans-91.5145.6178.7-71.1-90.1000111.7G646 L647 W648G646-Y655 CarbonylContact O-C 3.51Å; G646-Y655 WeakPolarHBondContact O-CA 3.3Å; L647-Y655 HydrophobicContact CD2-CD1 3.57Å; L647-Y655 HydrophobicContact CD2-CD2 4.3Å; L647-Y655 HydrophobicContact CD2-CE1 3.62Å; L647-Y655 HydrophobicContact CD2-CE2 4.33Å; L647-Y655 HydrophobicContact CD2-CG 3.93Å; W648-Y655 VanDerWaalsContact CD1-C 3.49Å; W648-Y655 PolarHBondContact NE1-O 3.5Å
656C75.8Confident76.5Confident28 Ų2862.5 Ų62.519%0.18933%0.328CS..  trans-67.2128.9171.9-640000110.7G646 C658 C664G646-C656 WeakPolarHBondContact CA-SG 3.37Å; G646-C656 PolarHBondContact O-N 2.77Å; C656-C658 PolarHBondContact O-N 2.78Å; C656-C664 VanDerWaalsContact CA-SG 3.55Å; C656-C664 HydrophobicContact CB-CB 3.66Å; C656-C664 WeakPolarHBondContact CB-SG 3.3Å; C656-C664 WeakPolarHBondContact SG-CB 3.46Å; C656-C664 PolarHBondContact SG-N 2.77Å; C656-C664 CovalentContact SG-SG 2.03Å; C656-C664 PolarHBondContact SG-SG 2.04Å
657D79.4Confident76.5Confident90 Ų9064.5 Ų64.548%0.48134%0.335SS..  trans-103.259.4-176.7-175.727.4000111.3R681D657-R681 VanDerWaalsContact CG-CZ 3.48Å; D657-R681 WeakPolarHBondContact O-CB 3.39Å; D657-R681 WeakPolarHBondContact O-CG 3.01Å; D657-R681 IonicContact OD1-CZ 2.7Å; D657-R681 IonicContact OD1-NE 3.2Å; D657-R681 PolarHBondContact OD1-NE 3.23Å; D657-R681 VanDerWaalsContact OD1-NE 3.1Å; D657-R681 IonicContact OD1-NH1 2.6Å; D657-R681 IonicContact OD1-NH2 2.66Å; D657-R681 PolarHBondContact OD1-NH2 2.86Å; D657-R681 IonicContact OD2-CZ 3.77Å; D657-R681 IonicContact OD2-NE 3.93Å; D657-R681 PolarHBondContact OD2-NE 3.17Å; D657-R681 IonicContact OD2-NH2 2.81Å; D657-R681 PolarHBondContact OD2-NH2 2.94Å
658C78.4Confident76.3Confident27 Ų2766.4 Ų66.418%0.18235%0.348CS..  trans-119.3142.9-165.9-51.80000113.1C656 V662 C671C656-C658 PolarHBondContact O-N 2.78Å; C658-V662 HydrophobicContact CB-CB 4.12Å; C658-V662 WeakPolarHBondContact CB-O 3.48Å; C658-C671 WeakPolarHBondContact CA-SG 3.49Å; C658-C671 HydrophobicContact CB-CB 3.85Å; C658-C671 WeakPolarHBondContact CB-SG 3.4Å; C658-C671 VanDerWaalsContact SG-CA 3.58Å; C658-C671 WeakPolarHBondContact SG-CB 3.32Å; C658-C671 CovalentContact SG-SG 2.03Å; C658-C671 PolarHBondContact SG-SG 2.79Å
659A69.4Low75.9Confident27 Ų2764.4 Ų64.422%0.22335%0.345CS..SBendtrans-84.3120.3-175.700000112.9R677 R681 E683A659-R677 PolarHBondContact O-NH1 3.23Å; A659-R681 WeakPolarHBondContact CB-O 3.36Å; A659-R681 PolarHBondContact N-O 3.38Å; A659-E683 HydrophobicContact CB-CB 4.43Å
660N60.2Low75.9Confident122 Ų12269 Ų6965%0.65237%0.373SS*.SBendtrans68.761.4178.2-51.54.8000113.9V662 R677N660-V662 PolarHBondContact O-N 2.78Å; N660-R677 PolarHBondContact ND2-NH2 2.87Å
661D61.1Low75.8Confident173 Ų17365.9 Ų65.993%0.92535%0.354SS*.SBendtrans53.828.1171.3-52.6-38000115.2D663D661-D663 PolarHBondContact O-N 2.85Å
662V68.4Low75.8Confident21 Ų2169 Ų6913%0.12737%0.367CS..  trans-75.8121172.3174.80000108.6C658 N660 C671 Q672 P674C658-V662 HydrophobicContact CB-CB 4.12Å; C658-V662 WeakPolarHBondContact CB-O 3.48Å; N660-V662 PolarHBondContact O-N 2.78Å; V662-C671 HydrophobicContact CG1-CB 4.43Å; V662-Q672 VanDerWaalsContact CG1-O 3.28Å; V662-Q672 WeakPolarHBondContact CG1-O 3.41Å; V662-P674 HydrophobicContact CG2-CG 4.39Å
663D74.6Confident75.2Confident47 Ų4770.6 Ų70.625%0.25138%0.378SS..  trans-60.3149.1176.1-119.9-29.7000111K645 G646 D661 Q672K645-D663 WeakPolarHBondContact CA-OD1 3.41Å; K645-D663 WeakPolarHBondContact CD-OD2 3.35Å; K645-D663 WeakPolarHBondContact CE-OD2 3.47Å; K645-D663 WeakPolarHBondContact CG-OD2 3.5Å; K645-D663 IonicContact NZ-OD2 3.43Å; K645-D663 PolarHBondContact NZ-OD2 3.35Å; G646-D663 PolarHBondContact N-OD1 2.84Å; D661-D663 PolarHBondContact O-N 2.85Å; D663-Q672 WeakPolarHBondContact O-CB 3.41Å; D663-Q672 PolarHBondContact O-N 3.42Å
664C80.4Confident74.5Confident8 Ų867 Ų675%0.05437%0.369CS..BIsolated β-bridgetrans-109.4156.7170.977.90000112C656 S666 G669 V670C656-C664 VanDerWaalsContact CA-SG 3.55Å; C656-C664 HydrophobicContact CB-CB 3.66Å; C656-C664 WeakPolarHBondContact CB-SG 3.3Å; C656-C664 WeakPolarHBondContact SG-CB 3.46Å; C656-C664 PolarHBondContact SG-N 2.77Å; C656-C664 CovalentContact SG-SG 2.03Å; C656-C664 PolarHBondContact SG-SG 2.04Å; C664-S666 PolarHBondContact O-N 2.04Å; C664-G669 WeakPolarHBondContact CB-O 3.35Å; C664-V670 CarbonylContact C-O 3.59Å; C664-V670 WeakPolarHBondContact CA-O 3.44Å
665D79.9Confident73.5Confident49 Ų4969.1 Ų69.126%0.26238%0.383SS..  trans-60.7122.4171175.4-96000110.3V667 T668 G669 V670D665-V667 PolarHBondContact O-N 3.34Å; D665-V667 VanDerWaalsContact O-N 3.14Å; D665-V667 WeakPolarHBondContact OD1-CB 3.38Å; D665-V667 PolarHBondContact OD1-N 3.09Å; D665-V667 VanDerWaalsContact OD1-N 3.09Å; D665-T668 WeakPolarHBondContact CB-OG1 3.03Å; D665-T668 PolarHBondContact O-N 2.81Å; D665-T668 WeakPolarHBondContact OD1-CB 3.01Å; D665-T668 PolarHBondContact OD1-N 3.42Å; D665-T668 PolarHBondContact OD1-OG1 3.07Å; D665-G669 WeakPolarHBondContact O-CA 3.39Å; D665-G669 PolarHBondContact O-N 2.95Å; D665-V670 PolarHBondContact N-O 3.39Å
666S76.7Confident72.5Confident32 Ų3261 Ų6122%0.22436%0.355CS..THydrogen-bonded Turntrans-65.5-20.1-171.955.10000113.9G633 W648 G649 C664G633-S666 WeakPolarHBondContact CA-O 3.45Å; G633-S666 PolarHBondContact N-O 3.15Å; W648-S666 CarbonylContact C-O 3.52Å; W648-S666 VanDerWaalsContact CA-O 3.23Å; W648-S666 WeakPolarHBondContact CA-O 3.35Å; W648-S666 WeakPolarHBondContact CB-O 3.41Å; G649-S666 PolarHBondContact N-O 3.37Å; C664-S666 PolarHBondContact O-N 2.04Å
667V76Confident72.3Confident69 Ų6963.3 Ų63.342%0.41836%0.36SS..THydrogen-bonded Turntrans-86.9-43.6180-171.70000110.7S632 D665S632-V667 VanDerWaalsContact CB-O 3.29Å; S632-V667 WeakPolarHBondContact CB-O 3.28Å; D665-V667 PolarHBondContact O-N 3.34Å; D665-V667 VanDerWaalsContact O-N 3.14Å; D665-V667 WeakPolarHBondContact OD1-CB 3.38Å; D665-V667 PolarHBondContact OD1-N 3.09Å; D665-V667 VanDerWaalsContact OD1-N 3.09Å
668T79.9Confident71.8Confident78 Ų7861.9 Ų61.948%0.47935%0.35SS..THydrogen-bonded Turntrans-112.4-13.1-165.460.40000115.2W648 D665 V670W648-T668 VanDerWaalsContact CE3-C 3.47Å; W648-T668 WeakPolarHBondContact CZ3-O 3.42Å; D665-T668 WeakPolarHBondContact CB-OG1 3.03Å; D665-T668 PolarHBondContact O-N 2.81Å; D665-T668 WeakPolarHBondContact OD1-CB 3.01Å; D665-T668 PolarHBondContact OD1-N 3.42Å; D665-T668 PolarHBondContact OD1-OG1 3.07Å; T668-V670 PolarHBondContact O-N 3.06Å
669G76.6Confident71.1Confident15 Ų1561.9 Ų61.916%0.15535%0.354CS..  trans771.3-176.700000115W648 C664 D665 C671W648-G669 VanDerWaalsContact CE3-N 3.33Å; W648-G669 VanDerWaalsContact CG-CA 3.48Å; C664-G669 WeakPolarHBondContact CB-O 3.35Å; D665-G669 WeakPolarHBondContact O-CA 3.39Å; D665-G669 PolarHBondContact O-N 2.95Å; G669-C671 PolarHBondContact O-N 3.18Å
670V78.9Confident70.8Confident96 Ų9666.6 Ų66.658%0.58238%0.381SS*.  trans-74.2122.7-176.7179.10000110.8C664 D665 T668 Q672C664-V670 CarbonylContact C-O 3.59Å; C664-V670 WeakPolarHBondContact CA-O 3.44Å; D665-V670 PolarHBondContact N-O 3.39Å; T668-V670 PolarHBondContact O-N 3.06Å; V670-Q672 PolarHBondContact O-N 3.46Å
671C78.6Confident71.5Confident12 Ų1266.7 Ų66.78%0.08137%0.372CS..BIsolated β-bridgetrans-63.7129.3-179.2-56.60000112.5C658 V662 G669 C673 C682C658-C671 WeakPolarHBondContact CA-SG 3.49Å; C658-C671 HydrophobicContact CB-CB 3.85Å; C658-C671 WeakPolarHBondContact CB-SG 3.4Å; C658-C671 VanDerWaalsContact SG-CA 3.58Å; C658-C671 WeakPolarHBondContact SG-CB 3.32Å; C658-C671 CovalentContact SG-SG 2.03Å; C658-C671 PolarHBondContact SG-SG 2.79Å; V662-C671 HydrophobicContact CG1-CB 4.43Å; G669-C671 PolarHBondContact O-N 3.18Å; C671-C673 VanDerWaalsContact C-N 3.35Å; C671-C673 PolarHBondContact O-N 2.9Å; C671-C682 WeakPolarHBondContact CB-SG 3.46Å
672Q75.4Confident72Confident121 Ų12158.4 Ų58.457%0.56533%0.328SS*.  trans-83.175.3-179-62.3-170.7-3.100111V662 D663 V670V662-Q672 VanDerWaalsContact CG1-O 3.28Å; V662-Q672 WeakPolarHBondContact CG1-O 3.41Å; D663-Q672 WeakPolarHBondContact O-CB 3.41Å; D663-Q672 PolarHBondContact O-N 3.42Å; V670-Q672 PolarHBondContact O-N 3.46Å
673C69Low72Confident42 Ų4261.9 Ų61.928%0.28434%0.342SS..PPolyproline II helixtrans-58.7127.9-171.1-55.30000113.4C671 R677 C682C671-C673 VanDerWaalsContact C-N 3.35Å; C671-C673 PolarHBondContact O-N 2.9Å; C673-R677 HydrophobicContact CB-CB 4.35Å; C673-R677 WeakPolarHBondContact CB-O 3.22Å; C673-C682 WeakPolarHBondContact CA-SG 3.41Å; C673-C682 HydrophobicContact CB-CB 3.78Å; C673-C682 WeakPolarHBondContact CB-SG 3.47Å; C673-C682 PolarHBondContact N-SG 3.4Å; C673-C682 WeakPolarHBondContact SG-CA 3.09Å; C673-C682 WeakPolarHBondContact SG-CB 3.01Å; C673-C682 CovalentContact SG-SG 2.03Å; C673-C682 PolarHBondContact SG-SG 2.6Å
674P66.8Low71.4Confident68 Ų6863.4 Ų63.444%0.44235%0.35SS..PPolyproline II helixtrans-67.4149.5176.128.2-34.8000111.2V662 G676 R677V662-P674 HydrophobicContact CG2-CG 4.39Å; P674-G676 PolarHBondContact O-N 3.43Å; P674-R677 PolarHBondContact O-N 2.96Å
675L57.2Low70.6Confident142 Ų14268 Ų6874%0.74338%0.382SS*.THydrogen-bonded Turntrans-47.8121.9-175.3-62.9174000112.4
676G59.8Low69.8Low13 Ų1366.3 Ų66.313%0.13438%0.377CS..THydrogen-bonded Turntrans90.115.2-173.400000115.4P674 G686P674-G676 PolarHBondContact O-N 3.43Å; G676-G686 CarbonylContact C-O 3.59Å; G676-G686 WeakPolarHBondContact CA-O 3.31Å; G676-G686 PolarHBondContact O-N 3.32Å
677R71.6Confident69.3Low78 Ų7865.8 Ų65.829%0.29437%0.373SS..EExtended strand (participates in β ladder)trans-128.6152.7162.5-81.5178.6164.1-14615.6111.7A659 N660 C673 P674 C682 L684 G686A659-R677 PolarHBondContact O-NH1 3.23Å; N660-R677 PolarHBondContact ND2-NH2 2.87Å; C673-R677 HydrophobicContact CB-CB 4.35Å; C673-R677 WeakPolarHBondContact CB-O 3.22Å; P674-R677 PolarHBondContact O-N 2.96Å; R677-C682 WeakPolarHBondContact CD-O 3.2Å; R677-C682 PolarHBondContact NH1-O 3.05Å; R677-L684 CarbonylContact C-O 3.49Å; R677-L684 VanDerWaalsContact CA-O 3.24Å; R677-L684 WeakPolarHBondContact CA-O 3.32Å; R677-G686 PolarHBondContact N-O 2.79Å
678H68.6Low68.8Low60 Ų6067.8 Ų67.828%0.27838%0.378SS..EExtended strand (participates in β ladder)trans-150.6-169.7172.171.3110.1000110C682 E683 L684 Q688H678-C682 CarbonylContact O-C 3.36Å; H678-C682 WeakPolarHBondContact O-CA 3.34Å; H678-E683 PolarHBondContact O-N 3.45Å; H678-L684 PolarHBondContact N-O 2.93Å; H678-L684 WeakPolarHBondContact O-CA 3.47Å; H678-L684 WeakPolarHBondContact O-CB 3.38Å; H678-L684 PolarHBondContact O-N 3.28Å; H678-Q688 HydrophobicContact CB-CB 4.39Å
679G63.2Low68Low26 Ų2667.5 Ų67.527%0.26838%0.383SS..SBendtrans96.2158.6-171.300000111.4R681 C682 E683G679-R681 PolarHBondContact O-N 2.03Å; G679-C682 PolarHBondContact O-N 2.87Å; G679-E683 VanDerWaalsContact C-OE2 3.29Å; G679-E683 WeakPolarHBondContact CA-OE2 3.45Å
680T63.7Low67.5Low127 Ų12767.4 Ų67.478%0.77938%0.383SS*.THydrogen-bonded Turntrans-68.2-18.8-172.349.50000113.3E683T680-E683 PolarHBondContact N-OE2 3.39Å
681R74.8Confident67.1Low123 Ų12365.9 Ų65.946%0.46437%0.368SS..THydrogen-bonded Turntrans-114.214.3172.1-52.6-169164.2176-14.8112.3D657 A659 G679 E683D657-R681 VanDerWaalsContact CG-CZ 3.48Å; D657-R681 WeakPolarHBondContact O-CB 3.39Å; D657-R681 WeakPolarHBondContact O-CG 3.01Å; D657-R681 IonicContact OD1-CZ 2.7Å; D657-R681 IonicContact OD1-NE 3.2Å; D657-R681 PolarHBondContact OD1-NE 3.23Å; D657-R681 VanDerWaalsContact OD1-NE 3.1Å; D657-R681 IonicContact OD1-NH1 2.6Å; D657-R681 IonicContact OD1-NH2 2.66Å; D657-R681 PolarHBondContact OD1-NH2 2.86Å; D657-R681 IonicContact OD2-CZ 3.77Å; D657-R681 IonicContact OD2-NE 3.93Å; D657-R681 PolarHBondContact OD2-NE 3.17Å; D657-R681 IonicContact OD2-NH2 2.81Å; D657-R681 PolarHBondContact OD2-NH2 2.94Å; A659-R681 WeakPolarHBondContact CB-O 3.36Å; A659-R681 PolarHBondContact N-O 3.38Å; G679-R681 PolarHBondContact O-N 2.03Å; R681-E683 VanDerWaalsContact C-OE2 3.3Å; R681-E683 VanDerWaalsContact CA-OE2 3.31Å; R681-E683 WeakPolarHBondContact CA-OE2 3.34Å; R681-E683 HydrophobicContact CB-CB 4.49Å; R681-E683 WeakPolarHBondContact CB-OE2 3.2Å; R681-E683 PolarHBondContact N-OE2 2.94Å; R681-E683 PolarHBondContact O-N 3.24Å
682C71.6Confident66.9Low0 Ų067.6 Ų67.60%037%0.373CS..SBendtrans56.230.5-170.4-50.60000114.4C671 C673 R677 H678 G679C671-C682 WeakPolarHBondContact CB-SG 3.46Å; C673-C682 WeakPolarHBondContact CA-SG 3.41Å; C673-C682 HydrophobicContact CB-CB 3.78Å; C673-C682 WeakPolarHBondContact CB-SG 3.47Å; C673-C682 PolarHBondContact N-SG 3.4Å; C673-C682 WeakPolarHBondContact SG-CA 3.09Å; C673-C682 WeakPolarHBondContact SG-CB 3.01Å; C673-C682 CovalentContact SG-SG 2.03Å; C673-C682 PolarHBondContact SG-SG 2.6Å; R677-C682 WeakPolarHBondContact CD-O 3.2Å; R677-C682 PolarHBondContact NH1-O 3.05Å; H678-C682 CarbonylContact O-C 3.36Å; H678-C682 WeakPolarHBondContact O-CA 3.34Å; G679-C682 PolarHBondContact O-N 2.87Å
683E69Low66.5Low93 Ų9361.8 Ų61.844%0.43535%0.346SS..  trans-83.9-19.3-175.276.2-71.8179.600113.9A659 H678 G679 T680 R681A659-E683 HydrophobicContact CB-CB 4.43Å; H678-E683 PolarHBondContact O-N 3.45Å; G679-E683 VanDerWaalsContact C-OE2 3.29Å; G679-E683 WeakPolarHBondContact CA-OE2 3.45Å; T680-E683 PolarHBondContact N-OE2 3.39Å; R681-E683 VanDerWaalsContact C-OE2 3.3Å; R681-E683 VanDerWaalsContact CA-OE2 3.31Å; R681-E683 WeakPolarHBondContact CA-OE2 3.34Å; R681-E683 HydrophobicContact CB-CB 4.49Å; R681-E683 WeakPolarHBondContact CB-OE2 3.2Å; R681-E683 PolarHBondContact N-OE2 2.94Å; R681-E683 PolarHBondContact O-N 3.24Å
684L61.2Low66.4Low80 Ų8065.2 Ų65.242%0.41937%0.367SS..EExtended strand (participates in β ladder)trans-93.4120.8-178.6-54.1176.1000110.2R677 H678R677-L684 CarbonylContact C-O 3.49Å; R677-L684 VanDerWaalsContact CA-O 3.24Å; R677-L684 WeakPolarHBondContact CA-O 3.32Å; H678-L684 PolarHBondContact N-O 2.93Å; H678-L684 WeakPolarHBondContact O-CA 3.47Å; H678-L684 WeakPolarHBondContact O-CB 3.38Å; H678-L684 PolarHBondContact O-N 3.28Å
685S64.7Low66.4Low104 Ų10468 Ų6873%0.72737%0.374SS*.EExtended strand (participates in β ladder)trans-88.5113.7176.6580000111.2
686G62.5Low66.8Low14 Ų1462.4 Ų62.414%0.14435%0.347CS..SBendtrans160.1175.7-175.400000111.6G676 R677G676-G686 CarbonylContact C-O 3.59Å; G676-G686 WeakPolarHBondContact CA-O 3.31Å; G676-G686 PolarHBondContact O-N 3.32Å; R677-G686 PolarHBondContact N-O 2.79Å
687C65.9Low67.3Low21 Ų2165.4 Ų65.414%0.14236%0.36CS..PPolyproline II helixtrans-78.6153.5160.5-57.20000109F691 C696C687-F691 HydrophobicContact CB-CB 4.11Å; C687-F691 WeakPolarHBondContact CB-O 3.04Å; C687-C696 WeakPolarHBondContact CA-SG 3.37Å; C687-C696 HydrophobicContact CB-CB 3.69Å; C687-C696 WeakPolarHBondContact CB-SG 3.16Å; C687-C696 VanDerWaalsContact SG-CA 3.53Å; C687-C696 WeakPolarHBondContact SG-CB 3.19Å; C687-C696 CovalentContact SG-SG 2.04Å; C687-C696 PolarHBondContact SG-SG 3.07Å
688Q66.4Low67.3Low110 Ų11067.4 Ų67.451%0.51437%0.368SS..PPolyproline II helixtrans-64.2157.8171.173.5177.6-700110.8H678 G690 F691H678-Q688 HydrophobicContact CB-CB 4.39Å; Q688-G690 PolarHBondContact O-N 2.98Å; Q688-F691 HydrophobicContact CG-CD2 3.53Å; Q688-F691 HydrophobicContact CG-CE2 4.08Å; Q688-F691 HydrophobicContact CG-CG 4.3Å; Q688-F691 PolarHBondContact O-N 3.49Å; Q688-F691 VanDerWaalsContact O-N 3.1Å
689A63Low67.3Low72 Ų7270.2 Ų70.260%0.59538%0.384SS*.THydrogen-bonded Turntrans-53.5132.9174.700000110.4N707A689-N707 CarbonylContact C-O 3.51Å
690G65.4Low67.6Low14 Ų1469.4 Ų69.414%0.14437%0.374CS..THydrogen-bonded Turntrans93.71.6-173.300000115.6Q688 L699 C700 N707Q688-G690 PolarHBondContact O-N 2.98Å; G690-L699 CarbonylContact O-C 3.51Å; G690-L699 VanDerWaalsContact O-CA 3.24Å; G690-L699 WeakPolarHBondContact O-CA 3.43Å; G690-C700 PolarHBondContact O-N 3.22Å; G690-N707 PolarHBondContact N-O 2.9Å
691F70.5Confident67.7Low63 Ų6365.3 Ų65.328%0.27635%0.35SS..EExtended strand (participates in β ladder)trans-134.2148.2-177.2-67.8-100.4000114.7C687 Q688 C696 R698 L699C687-F691 HydrophobicContact CB-CB 4.11Å; C687-F691 WeakPolarHBondContact CB-O 3.04Å; Q688-F691 HydrophobicContact CG-CD2 3.53Å; Q688-F691 HydrophobicContact CG-CE2 4.08Å; Q688-F691 HydrophobicContact CG-CG 4.3Å; Q688-F691 PolarHBondContact O-N 3.49Å; Q688-F691 VanDerWaalsContact O-N 3.1Å; F691-C696 WeakPolarHBondContact CD1-O 3.31Å; F691-R698 CarbonylContact C-O 3.05Å; F691-R698 VanDerWaalsContact CA-O 3.23Å; F691-R698 WeakPolarHBondContact CA-O 3.48Å; F691-L699 HydrophobicContact CD1-CG 4.47Å; F691-L699 HydrophobicContact CE1-CD1 4.25Å; F691-L699 HydrophobicContact CE1-CG 4.02Å; F691-L699 HydrophobicContact CZ-CG 4.21Å
692W74.4Confident67Low48 Ų4867.6 Ų67.618%0.18237%0.371CS..EExtended strand (participates in β ladder)trans-145.7-176.6174.269.9-74.1000111.5C696 D697 R698 L699 D710 G714W692-C696 CarbonylContact O-C 3.54Å; W692-C696 WeakPolarHBondContact O-CA 3.15Å; W692-D697 PolarHBondContact O-N 2.73Å; W692-R698 VanDerWaalsContact CD1-O 3.28Å; W692-R698 HydrophobicContact CD2-CB 3.98Å; W692-R698 HydrophobicContact CG-CB 4.08Å; W692-R698 HydrophobicContact CZ2-CB 4.17Å; W692-R698 PolarHBondContact N-O 3.1Å; W692-R698 WeakPolarHBondContact O-CB 3.09Å; W692-R698 PolarHBondContact O-N 3.13Å; W692-L699 VanDerWaalsContact CD1-O 3.23Å; W692-L699 PolarHBondContact NE1-O 2.94Å; W692-D710 WeakPolarHBondContact CB-O 3.42Å; W692-G714 VanDerWaalsContact CE3-N 3.28Å
693G68Low66.4Low0 Ų071.9 Ų71.90%039%0.391CS..SBendtrans99.9164.5-179.700000112.4Q695 C696 R711G693-Q695 PolarHBondContact O-N 2.85Å; G693-C696 PolarHBondContact O-N 3.29Å; G693-R711 PolarHBondContact N-O 2.83Å
694P65.8Low66.1Low113 Ų11367.6 Ų67.673%0.73437%0.371SS*.THydrogen-bonded Turntrans-64.1-21.5-176.327.4-35000113.3
695Q66.3Low65.8Low126 Ų12667.1 Ų67.159%0.58938%0.379SS*.THydrogen-bonded Turntrans-110.47.4175.4-63.9-179.2-26.800112.8G693 D697G693-Q695 PolarHBondContact O-N 2.85Å; Q695-D697 HydrophobicContact CB-CB 4.05Å; Q695-D697 WeakPolarHBondContact CB-OD1 3.39Å; Q695-D697 PolarHBondContact N-OD1 2.83Å; Q695-D697 VanDerWaalsContact N-OD1 3.1Å; Q695-D697 PolarHBondContact O-N 3.48Å
696C66.2Low65.5Low25 Ų2564.4 Ų64.417%0.16936%0.358CS..SBendtrans55.331-165.7-56.70000112.7C687 F691 W692 G693C687-C696 WeakPolarHBondContact CA-SG 3.37Å; C687-C696 HydrophobicContact CB-CB 3.69Å; C687-C696 WeakPolarHBondContact CB-SG 3.16Å; C687-C696 VanDerWaalsContact SG-CA 3.53Å; C687-C696 WeakPolarHBondContact SG-CB 3.19Å; C687-C696 CovalentContact SG-SG 2.04Å; C687-C696 PolarHBondContact SG-SG 3.07Å; F691-C696 WeakPolarHBondContact CD1-O 3.31Å; W692-C696 CarbonylContact O-C 3.54Å; W692-C696 WeakPolarHBondContact O-CA 3.15Å; G693-C696 PolarHBondContact O-N 3.29Å
697D70.9Confident65.4Low77 Ų7768.9 Ų68.941%0.41238%0.379SS..  trans-81.2-18.1-172.550.9-63.4000114.1W692 Q695W692-D697 PolarHBondContact O-N 2.73Å; Q695-D697 HydrophobicContact CB-CB 4.05Å; Q695-D697 WeakPolarHBondContact CB-OD1 3.39Å; Q695-D697 PolarHBondContact N-OD1 2.83Å; Q695-D697 VanDerWaalsContact N-OD1 3.1Å; Q695-D697 PolarHBondContact O-N 3.48Å
698R70.7Confident65.3Low120 Ų12072.9 Ų72.945%0.45340%0.396SS..EExtended strand (participates in β ladder)trans-112.2133.5-167.9-49-176.8176.4-164.1-10.8110F691 W692F691-R698 CarbonylContact C-O 3.05Å; F691-R698 VanDerWaalsContact CA-O 3.23Å; F691-R698 WeakPolarHBondContact CA-O 3.48Å; W692-R698 VanDerWaalsContact CD1-O 3.28Å; W692-R698 HydrophobicContact CD2-CB 3.98Å; W692-R698 HydrophobicContact CG-CB 4.08Å; W692-R698 HydrophobicContact CZ2-CB 4.17Å; W692-R698 PolarHBondContact N-O 3.1Å; W692-R698 WeakPolarHBondContact O-CB 3.09Å; W692-R698 PolarHBondContact O-N 3.13Å
699L69.4Low65.4Low118 Ų11868.6 Ų68.662%0.61838%0.377SS*.EExtended strand (participates in β ladder)trans-70.2144.2171.6-71.792.1000110.8G690 F691 W692G690-L699 CarbonylContact O-C 3.51Å; G690-L699 VanDerWaalsContact O-CA 3.24Å; G690-L699 WeakPolarHBondContact O-CA 3.43Å; F691-L699 HydrophobicContact CD1-CG 4.47Å; F691-L699 HydrophobicContact CE1-CD1 4.25Å; F691-L699 HydrophobicContact CE1-CG 4.02Å; F691-L699 HydrophobicContact CZ-CG 4.21Å; W692-L699 VanDerWaalsContact CD1-O 3.23Å; W692-L699 PolarHBondContact NE1-O 2.94Å
700C68.6Low65.7Low9 Ų967.6 Ų67.66%0.06136%0.362CS..PPolyproline II helixtrans-56.1139.9165.2-68.50000108.8G690 N702 C709G690-C700 PolarHBondContact O-N 3.22Å; C700-N702 PolarHBondContact O-N 3.07Å; C700-C709 WeakPolarHBondContact CA-SG 3.24Å; C700-C709 HydrophobicContact CB-CB 3.86Å; C700-C709 WeakPolarHBondContact CB-SG 3.09Å; C700-C709 WeakPolarHBondContact SG-CB 3.47Å; C700-C709 CovalentContact SG-SG 2.04Å; C700-C709 PolarHBondContact SG-SG 3.09Å
701P67.5Low65.5Low42 Ų4273.3 Ų73.327%0.27338%0.379SS..PPolyproline II helixtrans-54.1138.1177.8-2734.6000112.4H703 C704 G714P701-H703 WeakPolarHBondContact CB-CE1 3.03Å; P701-H703 PolarHBondContact O-N 2.86Å; P701-C704 PolarHBondContact O-N 2.89Å; P701-C704 PolarHBondContact O-SG 2.95Å; P701-G714 VanDerWaalsContact CD-O 3.26Å; P701-G714 WeakPolarHBondContact CD-O 3.35Å
702N59.2Low65.1Low171 Ų17177.7 Ų77.791%0.91440%0.4SS*.THydrogen-bonded Turntrans-57.1-8.8-176.2-62.90.2000115.2C700C700-N702 PolarHBondContact O-N 3.07Å
703H59.8Low64.8Low89 Ų8981.3 Ų81.341%0.41242%0.418SS..THydrogen-bonded Turntrans-88.5-11174.657.1-113.1000114.2P701 A705 C716 S725 H726P701-H703 WeakPolarHBondContact CB-CE1 3.03Å; P701-H703 PolarHBondContact O-N 2.86Å; H703-A705 PolarHBondContact O-N 3.21Å; H703-C716 PolarHBondContact CD2-SG 3.08Å; H703-S725 VanDerWaalsContact O-O 3.12Å; H703-H726 PolarHBondContact O-CE1 3.24Å; H703-H726 VanDerWaalsContact O-CE1 3.31Å; H703-H726 PolarHBondContact O-ND1 2.96Å
704C62Low64.4Low3 Ų381.5 Ų81.52%0.0242%0.419CS..  trans-7194.3178.1-60.80000111.4P701 T706 N707 C716P701-C704 PolarHBondContact O-N 2.89Å; P701-C704 PolarHBondContact O-SG 2.95Å; C704-T706 PolarHBondContact O-N 3.33Å; C704-N707 PolarHBondContact O-N 2.86Å; C704-C716 WeakPolarHBondContact CA-SG 3.08Å; C704-C716 HydrophobicContact CB-CB 3.7Å; C704-C716 WeakPolarHBondContact CB-SG 3.36Å; C704-C716 WeakPolarHBondContact SG-CA 3.44Å; C704-C716 WeakPolarHBondContact SG-CB 3.36Å; C704-C716 CovalentContact SG-SG 2.04Å; C704-C716 PolarHBondContact SG-SG 2.97Å
705A54.7Low64.5Low70 Ų7082.3 Ų82.358%0.57941%0.413SS*.THydrogen-bonded Turntrans-59.7-14.3-174.100000115.3H703 H726H703-A705 PolarHBondContact O-N 3.21Å; A705-H726 HydrophobicContact CB-CB 3.98Å
706T58.8Low64.5Low48 Ų4877 Ų7729%0.29439%0.39SS..THydrogen-bonded Turntrans-96.7-6.9177.151.80000113.9C704 Q708 T717C704-T706 PolarHBondContact O-N 3.33Å; T706-Q708 PolarHBondContact O-N 2.87Å; T706-Q708 PolarHBondContact OG1-N 3.2Å; T706-T717 PolarHBondContact OG1-O 3.27Å
707N59.4Low64.6Low107 Ų10777.7 Ų77.757%0.57239%0.393SS*.SBendtrans51.327-162.1-67.4-30.6000113.5A689 G690 C704A689-N707 CarbonylContact C-O 3.51Å; G690-N707 PolarHBondContact N-O 2.9Å; C704-N707 PolarHBondContact O-N 2.86Å
708Q63.7Low64.5Low106 Ų10674.4 Ų74.450%0.49538%0.376SS..  trans-122132.7179.2-63.6166.921.700109.9T706 C716 T717T706-Q708 PolarHBondContact O-N 2.87Å; T706-Q708 PolarHBondContact OG1-N 3.2Å; Q708-C716 WeakPolarHBondContact O-CA 3.11Å; Q708-T717 WeakPolarHBondContact CB-OG1 3.35Å; Q708-T717 PolarHBondContact O-N 2.89Å; Q708-T717 PolarHBondContact O-OG1 3.11Å
709C69.6Low64.4Low19 Ų1972.4 Ų72.413%0.12838%0.38CS..BIsolated β-bridgetrans-145.7157179.964.20000112.1C700 R711 G714 H715C700-C709 WeakPolarHBondContact CA-SG 3.24Å; C700-C709 HydrophobicContact CB-CB 3.86Å; C700-C709 WeakPolarHBondContact CB-SG 3.09Å; C700-C709 WeakPolarHBondContact SG-CB 3.47Å; C700-C709 CovalentContact SG-SG 2.04Å; C700-C709 PolarHBondContact SG-SG 3.09Å; C709-R711 PolarHBondContact O-N 3.1Å; C709-G714 WeakPolarHBondContact CB-O 3.46Å; C709-H715 CarbonylContact C-O 3.46Å; C709-H715 WeakPolarHBondContact CA-O 3.28Å; C709-H715 WeakPolarHBondContact CB-O 3.06Å
710D68.3Low64.6Low52 Ų5269.9 Ų69.928%0.27837%0.371SS..  trans-57.9127.5179.2179-61000110.7W692 E712 K713 G714 H715W692-D710 WeakPolarHBondContact CB-O 3.42Å; D710-E712 VanDerWaalsContact C-N 3.27Å; D710-E712 PolarHBondContact O-N 3.39Å; D710-E712 PolarHBondContact OD1-N 2.87Å; D710-K713 HydrophobicContact CB-CB 4.22Å; D710-K713 PolarHBondContact O-N 3.35Å; D710-K713 PolarHBondContact OD1-N 3.22Å; D710-G714 WeakPolarHBondContact O-CA 3.48Å; D710-G714 PolarHBondContact O-N 3.23Å; D710-H715 PolarHBondContact N-O 2.79Å
711R61.5Low64.6Low133 Ų13369.6 Ų69.650%0.50237%0.369SS..THydrogen-bonded Turntrans-55.5-37.9-174.7-179.6-178175.8-174.1-0.9113.7G693 C709G693-R711 PolarHBondContact N-O 2.83Å; C709-R711 PolarHBondContact O-N 3.1Å
712E62.8Low64.8Low155 Ų15569 Ų6972%0.72437%0.365SS*.THydrogen-bonded Turntrans-96.3-28.9-174.8-64.2-174.7167.200112.1D710D710-E712 VanDerWaalsContact C-N 3.27Å; D710-E712 PolarHBondContact O-N 3.39Å; D710-E712 PolarHBondContact OD1-N 2.87Å
713K66.7Low65.3Low125 Ų12564.3 Ų64.354%0.54334%0.335SS..THydrogen-bonded Turntrans-114.8-17-168.3-56.3172.3-171.9164.50115.4D710 H715D710-K713 HydrophobicContact CB-CB 4.22Å; D710-K713 PolarHBondContact O-N 3.35Å; D710-K713 PolarHBondContact OD1-N 3.22Å; K713-H715 PolarHBondContact O-N 3.48Å
714G61.5Low65.3Low3 Ų361.3 Ų61.33%0.03133%0.328CS..  trans72.95.9-179.700000115.8W692 P701 C709 D710W692-G714 VanDerWaalsContact CE3-N 3.28Å; P701-G714 VanDerWaalsContact CD-O 3.26Å; P701-G714 WeakPolarHBondContact CD-O 3.35Å; C709-G714 WeakPolarHBondContact CB-O 3.46Å; D710-G714 WeakPolarHBondContact O-CA 3.48Å; D710-G714 PolarHBondContact O-N 3.23Å
715H66.6Low64.9Low130 Ų13063.5 Ų63.560%0.60234%0.344SS*.PPolyproline II helixtrans-72.8136.1175.7-62.4-50.3000111.6C709 D710 K713C709-H715 CarbonylContact C-O 3.46Å; C709-H715 WeakPolarHBondContact CA-O 3.28Å; C709-H715 WeakPolarHBondContact CB-O 3.06Å; D710-H715 PolarHBondContact N-O 2.79Å; K713-H715 PolarHBondContact O-N 3.48Å
716C67Low65.2Low16 Ų1664.7 Ų64.711%0.10834%0.337CS..BIsolated β-bridgetrans-59.7137.8-179.7-44.80000112.7H703 C704 Q708 S725H703-C716 PolarHBondContact CD2-SG 3.08Å; C704-C716 WeakPolarHBondContact CA-SG 3.08Å; C704-C716 HydrophobicContact CB-CB 3.7Å; C704-C716 WeakPolarHBondContact CB-SG 3.36Å; C704-C716 WeakPolarHBondContact SG-CA 3.44Å; C704-C716 WeakPolarHBondContact SG-CB 3.36Å; C704-C716 CovalentContact SG-SG 2.04Å; C704-C716 PolarHBondContact SG-SG 2.97Å; Q708-C716 WeakPolarHBondContact O-CA 3.11Å; C716-S725 PolarHBondContact SG-O 2.83Å
717T68.5Low65.4Low39 Ų3963.3 Ų63.324%0.23933%0.329CS..PPolyproline II helixtrans-100.1137.3176.952.60000111.3T706 Q708 C727T706-T717 PolarHBondContact OG1-O 3.27Å; Q708-T717 WeakPolarHBondContact CB-OG1 3.35Å; Q708-T717 PolarHBondContact O-N 2.89Å; Q708-T717 PolarHBondContact O-OG1 3.11Å; T717-C727 PolarHBondContact O-SG 2.71Å
718C68.4Low65.7Low7 Ų762.8 Ų62.85%0.04732%0.323CS..  trans-123149.1-173.8-59.60000112.7T722 G724 C727 L739C718-T722 WeakPolarHBondContact CB-O 3.39Å; C718-G724 PolarHBondContact SG-O 3.03Å; C718-G724 VanDerWaalsContact SG-O 3.37Å; C718-C727 WeakPolarHBondContact CA-SG 3.23Å; C718-C727 HydrophobicContact CB-CB 3.62Å; C718-C727 WeakPolarHBondContact CB-SG 3Å; C718-C727 WeakPolarHBondContact SG-CA 3.02Å; C718-C727 WeakPolarHBondContact SG-CB 3.24Å; C718-C727 CovalentContact SG-SG 2.04Å; C718-C727 PolarHBondContact SG-SG 3.32Å; C718-L739 HydrophobicContact CB-CD2 3.94Å
719S68.9Low65.7Low78 Ų7859.4 Ų59.455%0.54531%0.308SS..  trans-55.4150.2173.9-58.50000112.1G721 T722S719-G721 PolarHBondContact O-N 3.17Å; S719-T722 PolarHBondContact O-N 3.49Å
720P71.9Confident65.8Low66 Ų6662.9 Ų62.943%0.42933%0.332SS..THydrogen-bonded Turntrans-50.4134172.8-28.336000112.1Q761P720-Q761 WeakPolarHBondContact O-CG 3.31Å
721G68.6Low66Low2 Ų261.1 Ų61.12%0.02132%0.324CS..THydrogen-bonded Turntrans86-2.5-176.600000116.1S719 S730 C731 G737 P760S719-G721 PolarHBondContact O-N 3.17Å; G721-S730 CarbonylContact O-C 3.56Å; G721-S730 WeakPolarHBondContact O-CA 3.36Å; G721-C731 VanDerWaalsContact CA-SG 3.5Å; G721-C731 PolarHBondContact O-N 3.1Å; G721-G737 PolarHBondContact N-O 2.94Å; G721-P760 VanDerWaalsContact CA-C 3.49Å; G721-P760 WeakPolarHBondContact CA-O 3.02Å; G721-P760 PolarHBondContact N-O 3.18Å
722T71.9Confident66.5Low29 Ų2955.9 Ų55.918%0.17831%0.307CS..EExtended strand (participates in β ladder)trans-127.8158.316975.80000115C718 S719 C727 L729C718-T722 WeakPolarHBondContact CB-O 3.39Å; S719-T722 PolarHBondContact O-N 3.49Å; T722-C727 VanDerWaalsContact CB-O 3.28Å; T722-C727 WeakPolarHBondContact CB-O 3.31Å; T722-C727 PolarHBondContact OG1-O 2.83Å; T722-L729 CarbonylContact C-O 3.46Å; T722-L729 WeakPolarHBondContact CA-O 3.26Å; T722-L729 VanDerWaalsContact CB-O 3.3Å; T722-L729 WeakPolarHBondContact CB-O 3.38Å
723Y71.1Confident66.8Low73 Ų7355.1 Ų55.129%0.28630%0.304SS..EExtended strand (participates in β ladder)trans-145.4179.5177.779.5-80.6000112C727 H728 L729 S730 P732Y723-C727 CarbonylContact O-C 3.35Å; Y723-C727 WeakPolarHBondContact O-CA 3.29Å; Y723-H728 PolarHBondContact O-N 3.36Å; Y723-L729 HydrophobicContact CD1-CB 3.61Å; Y723-L729 WeakPolarHBondContact CD1-O 3.21Å; Y723-L729 HydrophobicContact CD2-CB 4.41Å; Y723-L729 HydrophobicContact CD2-CD1 3.96Å; Y723-L729 HydrophobicContact CE1-CB 3.44Å; Y723-L729 VanDerWaalsContact CE1-CB 3.44Å; Y723-L729 HydrophobicContact CE1-CD1 4.23Å; Y723-L729 HydrophobicContact CE1-CG 4.43Å; Y723-L729 HydrophobicContact CE2-CB 4.25Å; Y723-L729 HydrophobicContact CE2-CD1 3.51Å; Y723-L729 HydrophobicContact CG-CB 4.12Å; Y723-L729 HydrophobicContact CG-CD1 4.48Å; Y723-L729 PolarHBondContact N-O 3.28Å; Y723-L729 WeakPolarHBondContact O-CB 3.44Å; Y723-L729 PolarHBondContact O-N 2.67Å; Y723-S730 WeakPolarHBondContact CE1-O 3.47Å; Y723-P732 HydrophobicContact CE1-CG 3.88Å
724G59.5Low67Low26 Ų2652.4 Ų52.427%0.26830%0.295SS..SBendtrans92163.7-17900000113.4C718 H726 C727C718-G724 PolarHBondContact SG-O 3.03Å; C718-G724 VanDerWaalsContact SG-O 3.37Å; G724-H726 VanDerWaalsContact C-N 3.3Å; G724-H726 PolarHBondContact O-N 2.96Å; G724-C727 PolarHBondContact O-N 2.85Å
725S53.6Low67.9Low49 Ų4953.9 Ų53.934%0.34330%0.303SS..THydrogen-bonded Turntrans-52.9-41.7-174.447.70000114.3H703 C716H703-S725 VanDerWaalsContact O-O 3.12Å; C716-S725 PolarHBondContact SG-O 2.83Å
726H60.4Low68.8Low96 Ų9650.8 Ų50.844%0.44429%0.287SS..THydrogen-bonded Turntrans-99.414.5177.6-50.9-77.7000113H703 A705 G724 H728H703-H726 PolarHBondContact O-CE1 3.24Å; H703-H726 VanDerWaalsContact O-CE1 3.31Å; H703-H726 PolarHBondContact O-ND1 2.96Å; A705-H726 HydrophobicContact CB-CB 3.98Å; G724-H726 VanDerWaalsContact C-N 3.3Å; G724-H726 PolarHBondContact O-N 2.96Å; H726-H728 HydrophobicContact CB-CB 4.43Å; H726-H728 PolarHBondContact O-N 3.1Å; H726-H728 VanDerWaalsContact O-N 3.11Å
727C64.1Low69Low18 Ų1850.2 Ų50.212%0.12228%0.283CS..SBendtrans53.329.6-178.8-56.50000115T717 C718 T722 Y723 G724T717-C727 PolarHBondContact O-SG 2.71Å; C718-C727 WeakPolarHBondContact CA-SG 3.23Å; C718-C727 HydrophobicContact CB-CB 3.62Å; C718-C727 WeakPolarHBondContact CB-SG 3Å; C718-C727 WeakPolarHBondContact SG-CA 3.02Å; C718-C727 WeakPolarHBondContact SG-CB 3.24Å; C718-C727 CovalentContact SG-SG 2.04Å; C718-C727 PolarHBondContact SG-SG 3.32Å; T722-C727 VanDerWaalsContact CB-O 3.28Å; T722-C727 WeakPolarHBondContact CB-O 3.31Å; T722-C727 PolarHBondContact OG1-O 2.83Å; Y723-C727 CarbonylContact O-C 3.35Å; Y723-C727 WeakPolarHBondContact O-CA 3.29Å; G724-C727 PolarHBondContact O-N 2.85Å
728H65.6Low69Low96 Ų9654 Ų5444%0.44430%0.298SS..  trans-100.20.1-167.564.4-65.8000114.6R424 Y723 H726R424-H728 PolarHBondContact NH2-NE2 2.87Å; Y723-H728 PolarHBondContact O-N 3.36Å; H726-H728 HydrophobicContact CB-CB 4.43Å; H726-H728 PolarHBondContact O-N 3.1Å; H726-H728 VanDerWaalsContact O-N 3.11Å
729L62.2Low69.1Low36 Ų3657.8 Ų57.819%0.18832%0.318CS..EExtended strand (participates in β ladder)trans-107.7121.4-179.4-58.9164.2000109.6R424 T722 Y723R424-L729 VanDerWaalsContact NH1-CD1 3.33Å; T722-L729 CarbonylContact C-O 3.46Å; T722-L729 WeakPolarHBondContact CA-O 3.26Å; T722-L729 VanDerWaalsContact CB-O 3.3Å; T722-L729 WeakPolarHBondContact CB-O 3.38Å; Y723-L729 HydrophobicContact CD1-CB 3.61Å; Y723-L729 WeakPolarHBondContact CD1-O 3.21Å; Y723-L729 HydrophobicContact CD2-CB 4.41Å; Y723-L729 HydrophobicContact CD2-CD1 3.96Å; Y723-L729 HydrophobicContact CE1-CB 3.44Å; Y723-L729 VanDerWaalsContact CE1-CB 3.44Å; Y723-L729 HydrophobicContact CE1-CD1 4.23Å; Y723-L729 HydrophobicContact CE1-CG 4.43Å; Y723-L729 HydrophobicContact CE2-CB 4.25Å; Y723-L729 HydrophobicContact CE2-CD1 3.51Å; Y723-L729 HydrophobicContact CG-CB 4.12Å; Y723-L729 HydrophobicContact CG-CD1 4.48Å; Y723-L729 PolarHBondContact N-O 3.28Å; Y723-L729 WeakPolarHBondContact O-CB 3.44Å; Y723-L729 PolarHBondContact O-N 2.67Å
730S71.6Confident69.4Low91 Ų9154.9 Ų54.964%0.63630%0.297SS*.EExtended strand (participates in β ladder)trans-65.9150.1169.3-520000111.1G721 Y723G721-S730 CarbonylContact O-C 3.56Å; G721-S730 WeakPolarHBondContact O-CA 3.36Å; Y723-S730 WeakPolarHBondContact CE1-O 3.47Å
731C74.3Confident69.4Low15 Ų1556 Ų5610%0.10131%0.307CS..PPolyproline II helixtrans-57.2142.3-175.3-70.10000114.6G721 C740 P760G721-C731 VanDerWaalsContact CA-SG 3.5Å; G721-C731 PolarHBondContact O-N 3.1Å; C731-C740 WeakPolarHBondContact CA-SG 3.42Å; C731-C740 HydrophobicContact CB-CB 3.72Å; C731-C740 WeakPolarHBondContact CB-SG 3.37Å; C731-C740 WeakPolarHBondContact SG-CA 3.46Å; C731-C740 WeakPolarHBondContact SG-CB 3.4Å; C731-C740 CovalentContact SG-SG 2.03Å; C731-C740 PolarHBondContact SG-SG 2.72Å; C731-P760 HydrophobicContact CB-CB 3.96Å
732P70.4Confident69.9Low23 Ų2359.7 Ų59.715%0.14933%0.325CS..PPolyproline II helixtrans-60.8154.7177.1-24.135000113.6E418 Y723 N734 T735E418-P732 WeakPolarHBondContact OE1-CB 3.24Å; E418-P732 WeakPolarHBondContact OE1-CG 2.96Å; E418-P732 VanDerWaalsContact OE2-CG 3.24Å; E418-P732 WeakPolarHBondContact OE2-CG 3.34Å; Y723-P732 HydrophobicContact CE1-CG 3.88Å; P732-N734 PolarHBondContact O-N 2.94Å; P732-T735 WeakPolarHBondContact CD-OG1 3.4Å; P732-T735 PolarHBondContact O-N 3.43Å; P732-T735 PolarHBondContact O-OG1 2.76Å
733E69.4Low70.2Confident139 Ų13966.8 Ų66.865%0.6535%0.354SS*.THydrogen-bonded Turntrans-54.9130.6-179.3-66.9-163.5148.200111.3K756E733-K756 WeakPolarHBondContact OE1-CE 3.16Å; E733-K756 IonicContact OE1-NZ 2.95Å
734N72Confident70.6Confident69 Ų6963.7 Ų63.737%0.36934%0.343SS..THydrogen-bonded Turntrans8011.8-175.9-42.8-74.7000116.3P732 C744 L749P732-N734 PolarHBondContact O-N 2.94Å; N734-C744 WeakPolarHBondContact CA-SG 3.03Å; N734-C744 PolarHBondContact O-N 3.34Å; N734-L749 HydrophobicContact CB-CD2 4.19Å; N734-L749 WeakPolarHBondContact OD1-CD2 3.42Å
735T80.3Confident71.6Confident33 Ų3364.5 Ų64.520%0.20234%0.343CS..EExtended strand (participates in β ladder)trans-127156.8173.766.90000113.4P732 L742P732-T735 WeakPolarHBondContact CD-OG1 3.4Å; P732-T735 PolarHBondContact O-N 3.43Å; P732-T735 PolarHBondContact O-OG1 2.76Å; T735-L742 CarbonylContact C-O 3.56Å; T735-L742 VanDerWaalsContact CA-O 3.23Å; T735-L742 WeakPolarHBondContact CA-O 3.1Å
736W84.7Confident72.5Confident65 Ų6565.7 Ų65.725%0.24636%0.356CS..EExtended strand (participates in β ladder)trans-154.7174.8179.768.6-75.1000112.3C740 S741 L742 K743 D759 P760 G763W736-C740 CarbonylContact O-C 3.55Å; W736-C740 WeakPolarHBondContact O-CA 3.43Å; W736-S741 PolarHBondContact O-N 3.03Å; W736-L742 HydrophobicContact CD2-CB 3.97Å; W736-L742 HydrophobicContact CD2-CD1 4.08Å; W736-L742 HydrophobicContact CE3-CD1 4.09Å; W736-L742 HydrophobicContact CG-CB 4.11Å; W736-L742 HydrophobicContact CH2-CD1 3.65Å; W736-L742 HydrophobicContact CZ2-CB 4.14Å; W736-L742 HydrophobicContact CZ2-CD1 3.61Å; W736-L742 HydrophobicContact CZ3-CD1 3.88Å; W736-L742 PolarHBondContact N-O 3.28Å; W736-L742 WeakPolarHBondContact O-CB 3.42Å; W736-L742 PolarHBondContact O-N 3.21Å; W736-K743 VanDerWaalsContact CD1-C 3.48Å; W736-K743 PolarHBondContact NE1-O 2.95Å; W736-D759 WeakPolarHBondContact CB-O 3.25Å; W736-P760 CarbonylContact C-O 3.56Å; W736-P760 VanDerWaalsContact CA-O 3.25Å; W736-P760 WeakPolarHBondContact CA-O 3.43Å; W736-P760 WeakPolarHBondContact CB-O 3.34Å; W736-G763 VanDerWaalsContact CD2-CA 3.48Å
737G70.6Confident72.9Confident4 Ų466.4 Ų66.44%0.04136%0.36CS..SBendtrans86.4-167.9173.700000114.4G721 L739 C740 P760G721-G737 PolarHBondContact N-O 2.94Å; G737-L739 PolarHBondContact O-N 2.94Å; G737-C740 PolarHBondContact O-N 3.27Å; G737-P760 PolarHBondContact N-O 3.03Å
738E70.2Confident73.3Confident118 Ų11865.8 Ų65.855%0.55136%0.355SS*.G310 helixtrans-63.1126.1179.2-172.9175.7-170.100110.7C740 S741E738-C740 PolarHBondContact O-N 3.41Å; E738-S741 WeakPolarHBondContact O-CB 3.41Å; E738-S741 PolarHBondContact O-N 2.94Å; E738-S741 VanDerWaalsContact O-N 3.1Å; E738-S741 PolarHBondContact O-OG 3.05Å
739L68.9Low73.4Confident88 Ų8865.6 Ų65.646%0.46136%0.357SS..G310 helixtrans48.128.6-172.7-63.8171.1000113.8C718 G737 S741C718-L739 HydrophobicContact CB-CD2 3.94Å; G737-L739 PolarHBondContact O-N 2.94Å; L739-S741 PolarHBondContact O-N 2.91Å
740C75.3Confident73.8Confident17 Ų1766 Ų6612%0.11536%0.36CS..G310 helixtrans58.326.3179.9-44.70000114.3C731 W736 G737 E738 L742C731-C740 WeakPolarHBondContact CA-SG 3.42Å; C731-C740 HydrophobicContact CB-CB 3.72Å; C731-C740 WeakPolarHBondContact CB-SG 3.37Å; C731-C740 WeakPolarHBondContact SG-CA 3.46Å; C731-C740 WeakPolarHBondContact SG-CB 3.4Å; C731-C740 CovalentContact SG-SG 2.03Å; C731-C740 PolarHBondContact SG-SG 2.72Å; W736-C740 CarbonylContact O-C 3.55Å; W736-C740 WeakPolarHBondContact O-CA 3.43Å; G737-C740 PolarHBondContact O-N 3.27Å; E738-C740 PolarHBondContact O-N 3.41Å; C740-L742 VanDerWaalsContact C-N 3.27Å; C740-L742 PolarHBondContact O-N 2.72Å
741S73.5Confident73.3Confident90 Ų9067.2 Ų67.263%0.62937%0.368SS*.  trans-71.7-11.8-172.6560000115.3W736 E738 L739W736-S741 PolarHBondContact O-N 3.03Å; E738-S741 WeakPolarHBondContact O-CB 3.41Å; E738-S741 PolarHBondContact O-N 2.94Å; E738-S741 VanDerWaalsContact O-N 3.1Å; E738-S741 PolarHBondContact O-OG 3.05Å; L739-S741 PolarHBondContact O-N 2.91Å
742L77.4Confident73Confident78 Ų7876.1 Ų76.141%0.40840%0.399SS..EExtended strand (participates in β ladder)trans-107.4142.9-178.2-55177.4000111.1T735 W736 C740T735-L742 CarbonylContact C-O 3.56Å; T735-L742 VanDerWaalsContact CA-O 3.23Å; T735-L742 WeakPolarHBondContact CA-O 3.1Å; W736-L742 HydrophobicContact CD2-CB 3.97Å; W736-L742 HydrophobicContact CD2-CD1 4.08Å; W736-L742 HydrophobicContact CE3-CD1 4.09Å; W736-L742 HydrophobicContact CG-CB 4.11Å; W736-L742 HydrophobicContact CH2-CD1 3.65Å; W736-L742 HydrophobicContact CZ2-CB 4.14Å; W736-L742 HydrophobicContact CZ2-CD1 3.61Å; W736-L742 HydrophobicContact CZ3-CD1 3.88Å; W736-L742 PolarHBondContact N-O 3.28Å; W736-L742 WeakPolarHBondContact O-CB 3.42Å; W736-L742 PolarHBondContact O-N 3.21Å; C740-L742 VanDerWaalsContact C-N 3.27Å; C740-L742 PolarHBondContact O-N 2.72Å
743K78.6Confident72.8Confident178 Ų17877.9 Ų77.977%0.77440%0.403SS*.EExtended strand (participates in β ladder)trans-87.8146.7172.9-65.2-176.6179.1-177.60110.4W736W736-K743 VanDerWaalsContact CD1-C 3.48Å; W736-K743 PolarHBondContact NE1-O 2.95Å
744C80.8Confident73Confident8 Ų874.2 Ų74.25%0.05439%0.386CS..PPolyproline II helixtrans-55.9148.5175.1-69.10000112.1N734 C748 C758N734-C744 WeakPolarHBondContact CA-SG 3.03Å; N734-C744 PolarHBondContact O-N 3.34Å; C744-C748 HydrophobicContact CB-CB 4.44Å; C744-C758 WeakPolarHBondContact CA-SG 3.43Å; C744-C758 HydrophobicContact CB-CB 3.7Å; C744-C758 WeakPolarHBondContact CB-SG 3.23Å; C744-C758 WeakPolarHBondContact SG-CB 3.42Å; C744-C758 PolarHBondContact SG-N 3.26Å; C744-C758 VanDerWaalsContact SG-N 3.35Å; C744-C758 CovalentContact SG-SG 2.02Å; C744-C758 PolarHBondContact SG-SG 3.26Å
745P78.8Confident73Confident43 Ų4371.6 Ų71.628%0.27937%0.373SS..PPolyproline II helixtrans-52.3146.2172.8-26.534.5000112.6E747 C748 G763P745-E747 PolarHBondContact O-N 2.69Å; P745-C748 WeakPolarHBondContact O-CB 3.49Å; P745-C748 PolarHBondContact O-N 2.91Å; P745-G763 VanDerWaalsContact CD-O 3.25Å; P745-G763 WeakPolarHBondContact CD-O 3.34Å; P745-G763 WeakPolarHBondContact CG-O 3.25Å
746A73.2Confident72.5Confident74 Ų7475.5 Ų75.561%0.61239%0.387SS*.Hα-helixtrans-61.6-31.3-177.400000112.3C748 L749 D750A746-C748 PolarHBondContact O-N 3.38Å; A746-L749 PolarHBondContact O-N 2.94Å; A746-L749 VanDerWaalsContact O-N 3.1Å; A746-D750 PolarHBondContact O-N 2.97Å
747E70Confident72.2Confident112 Ų11272.7 Ų72.752%0.52338%0.378SS..Hα-helixtrans-59.6-31.4172.6-5898.9-100.700113.5P745 L749 R753P745-E747 PolarHBondContact O-N 2.69Å; E747-L749 PolarHBondContact O-N 3.03Å; E747-R753 WeakPolarHBondContact O-CD 3.47Å
748C72.2Confident72.7Confident4 Ų473 Ų733%0.02738%0.379CS..Hα-helixtrans-75.6-15.3178.6-47.90000112.8C744 P745 A746 T755 C758 C765C744-C748 HydrophobicContact CB-CB 4.44Å; P745-C748 WeakPolarHBondContact O-CB 3.49Å; P745-C748 PolarHBondContact O-N 2.91Å; A746-C748 PolarHBondContact O-N 3.38Å; C748-T755 WeakPolarHBondContact O-CB 3.37Å; C748-T755 PolarHBondContact O-OG1 2.86Å; C748-C758 HydrophobicContact CB-CB 4.47Å; C748-C765 WeakPolarHBondContact CA-SG 3.36Å; C748-C765 HydrophobicContact CB-CB 3.88Å; C748-C765 WeakPolarHBondContact CB-SG 3.15Å; C748-C765 WeakPolarHBondContact SG-CA 3.48Å; C748-C765 WeakPolarHBondContact SG-CB 3.39Å; C748-C765 CovalentContact SG-SG 2.04Å; C748-C765 PolarHBondContact SG-SG 2.94Å
749L67.1Low73.2Confident93 Ų9370 Ų7049%0.48737%0.367SS..Hα-helixtrans-99.2-10-178.5-64.9169.1000113.1N734 A746 E747 S751N734-L749 HydrophobicContact CB-CD2 4.19Å; N734-L749 WeakPolarHBondContact OD1-CD2 3.42Å; A746-L749 PolarHBondContact O-N 2.94Å; A746-L749 VanDerWaalsContact O-N 3.1Å; E747-L749 PolarHBondContact O-N 3.03Å; L749-S751 PolarHBondContact O-N 3.17Å
750D70.7Confident73.4Confident44 Ų4467.4 Ų67.424%0.23536%0.356CS..  trans-70.7115.6178.3-171.9-20.6000110.8A746 R752 R753A746-D750 PolarHBondContact O-N 2.97Å; D750-R752 PolarHBondContact O-N 3.43Å; D750-R752 VanDerWaalsContact OD1-CB 3.25Å; D750-R752 WeakPolarHBondContact OD1-CB 3.33Å; D750-R752 WeakPolarHBondContact OD1-CG 3.36Å; D750-R752 IonicContact OD1-CZ 3.97Å; D750-R752 PolarHBondContact OD1-N 2.95Å; D750-R752 IonicContact OD1-NE 3.51Å; D750-R752 PolarHBondContact OD1-NE 2.89Å; D750-R752 IonicContact OD1-NH2 3.89Å; D750-R752 IonicContact OD2-CZ 2.64Å; D750-R752 VanDerWaalsContact OD2-CZ 3.25Å; D750-R752 IonicContact OD2-NE 2.77Å; D750-R752 PolarHBondContact OD2-NE 2.78Å; D750-R752 IonicContact OD2-NH2 2.93Å; D750-R752 PolarHBondContact OD2-NH2 2.04Å; D750-R753 PolarHBondContact O-N 2.81Å
751S60.8Low73.3Confident116 Ų11672.5 Ų72.581%0.81138%0.378SS*.THydrogen-bonded Turntrans-60.3-11.1-179.5-42.20000114.5L749L749-S751 PolarHBondContact O-N 3.17Å
752R68.1Low73.6Confident202 Ų20271.7 Ų71.776%0.76237%0.369SS*.THydrogen-bonded Turntrans-84.5-14.6175-59.5172.6-68.9-174.22.3113.5D750D750-R752 PolarHBondContact O-N 3.43Å; D750-R752 VanDerWaalsContact OD1-CB 3.25Å; D750-R752 WeakPolarHBondContact OD1-CB 3.33Å; D750-R752 WeakPolarHBondContact OD1-CG 3.36Å; D750-R752 IonicContact OD1-CZ 3.97Å; D750-R752 PolarHBondContact OD1-N 2.95Å; D750-R752 IonicContact OD1-NE 3.51Å; D750-R752 PolarHBondContact OD1-NE 2.89Å; D750-R752 IonicContact OD1-NH2 3.89Å; D750-R752 IonicContact OD2-CZ 2.64Å; D750-R752 VanDerWaalsContact OD2-CZ 3.25Å; D750-R752 IonicContact OD2-NE 2.77Å; D750-R752 PolarHBondContact OD2-NE 2.78Å; D750-R752 IonicContact OD2-NH2 2.93Å; D750-R752 PolarHBondContact OD2-NH2 2.04Å
753R65.8Low73.6Confident61 Ų6168.2 Ų68.223%0.2335%0.352CS..SBendtrans-95.8144.9169.6-69.6178.1169-123.3-14.4108.8E747 D750 T755 D775E747-R753 WeakPolarHBondContact O-CD 3.47Å; D750-R753 PolarHBondContact O-N 2.81Å; R753-T755 HydrophobicContact CB-CG2 4.1Å; R753-T755 PolarHBondContact O-N 3.46Å; R753-D775 IonicContact CZ-OD1 2.7Å; R753-D775 IonicContact NH1-OD1 3.18Å; R753-D775 PolarHBondContact NH1-OD1 3.15Å; R753-D775 IonicContact NH2-OD1 3.12Å; R753-D775 PolarHBondContact NH2-OD1 3.12Å
754H73.8Confident73.7Confident61 Ų6166.3 Ų66.328%0.28235%0.346SS..  trans-8559.3-178.3-52.593.7000110.4C767 K768 Y771 C776H754-C767 CarbonylContact O-C 3.52Å; H754-C767 WeakPolarHBondContact O-CA 3.47Å; H754-K768 HydrophobicContact CB-CB 4.42Å; H754-K768 HydrophobicContact CB-CD 4.27Å; H754-K768 WeakPolarHBondContact O-CB 3.3Å; H754-K768 WeakPolarHBondContact O-CG 3.25Å; H754-K768 PolarHBondContact O-N 3.31Å; H754-Y771 HydrophobicContact CB-CD1 3.85Å; H754-Y771 HydrophobicContact CB-CD2 3.61Å; H754-Y771 HydrophobicContact CB-CE1 4.05Å; H754-Y771 HydrophobicContact CB-CE2 3.82Å; H754-Y771 HydrophobicContact CB-CG 3.62Å; H754-Y771 AromaticContact CD2-CE1 3.75Å; H754-Y771 AromaticContact CD2-CE2 3.85Å; H754-Y771 AromaticContact CD2-CZ 3.4Å; H754-Y771 PolarHBondContact CD2-OH 2.95Å; H754-Y771 AromaticContact CE1-CE1 3.45Å; H754-Y771 VanDerWaalsContact CE1-CE1 3.45Å; H754-Y771 WeakPolarHBondContact CE1-CE1 3.49Å; H754-Y771 AromaticContact CE1-CZ 3.85Å; H754-Y771 AromaticContact CG-CD1 3.69Å; H754-Y771 AromaticContact CG-CE1 3.42Å; H754-Y771 VanDerWaalsContact CG-CE1 3.42Å; H754-Y771 AromaticContact CG-CE2 3.78Å; H754-Y771 AromaticContact CG-CG 3.96Å; H754-Y771 AromaticContact CG-CZ 3.46Å; H754-Y771 VanDerWaalsContact CG-CZ 3.46Å; H754-Y771 AromaticContact ND1-CD1 3.49Å; H754-Y771 WeakPolarHBondContact ND1-CD1 3.35Å; H754-Y771 AromaticContact ND1-CE1 3.23Å; H754-Y771 WeakPolarHBondContact ND1-CE1 3.3Å; H754-Y771 AromaticContact ND1-CZ 3.74Å; H754-Y771 AromaticContact NE2-CE1 3.78Å; H754-Y771 AromaticContact NE2-CZ 3.67Å; H754-Y771 PolarHBondContact NE2-OH 3.21Å; H754-C776 VanDerWaalsContact CB-O 3.25Å; H754-C776 WeakPolarHBondContact CB-O 3.43Å; H754-C776 PolarHBondContact N-O 2.79Å; H754-C776 PolarHBondContact ND1-O 2.02Å; H754-C776 WeakPolarHBondContact O-CB 3.43Å
755T72.4Confident73.6Confident15 Ų1567.2 Ų67.29%0.09235%0.352CS..EExtended strand (participates in β ladder)trans-98.5148.7-177.748.60000112.4C748 R753 C765 I766 K768 C776C748-T755 WeakPolarHBondContact O-CB 3.37Å; C748-T755 PolarHBondContact O-OG1 2.86Å; R753-T755 HydrophobicContact CB-CG2 4.1Å; R753-T755 PolarHBondContact O-N 3.46Å; T755-C765 HydrophobicContact CG2-CB 3.89Å; T755-I766 CarbonylContact C-O 3.59Å; T755-I766 VanDerWaalsContact CA-O 3.25Å; T755-I766 WeakPolarHBondContact CA-O 3.47Å; T755-K768 WeakPolarHBondContact O-CE 3.26Å; T755-C776 HydrophobicContact CG2-CB 3.92Å
756K70.4Confident73.4Confident115 Ų11567.4 Ų67.450%0.535%0.35SS..EExtended strand (participates in β ladder)trans-95.8-23.3168.5-174.1179.2173.3-163.60112.1E733 I766 F787E733-K756 WeakPolarHBondContact OE1-CE 3.16Å; E733-K756 IonicContact OE1-NZ 2.95Å; K756-I766 HydrophobicContact CB-CG2 4.4Å; K756-I766 PolarHBondContact N-O 2.03Å; K756-F787 HydrophobicContact CD-CE1 3.75Å; K756-F787 HydrophobicContact CD-CZ 4.06Å
757G77Confident73.8Confident6 Ų663.9 Ų63.96%0.06232%0.321CS..EExtended strand (participates in β ladder)trans159.4-148.3-175.700000109.3C765 I766G757-C765 WeakPolarHBondContact O-CA 3.34Å; G757-I766 PolarHBondContact O-N 2.89Å
758C82.1Confident74Confident10 Ų1062.8 Ų62.87%0.06831%0.314CS..EExtended strand (participates in β ladder)trans-125.1166.4167.674.20000112.3C744 C748 G763 E764 I766C744-C758 WeakPolarHBondContact CA-SG 3.43Å; C744-C758 HydrophobicContact CB-CB 3.7Å; C744-C758 WeakPolarHBondContact CB-SG 3.23Å; C744-C758 WeakPolarHBondContact SG-CB 3.42Å; C744-C758 PolarHBondContact SG-N 3.26Å; C744-C758 VanDerWaalsContact SG-N 3.35Å; C744-C758 CovalentContact SG-SG 2.02Å; C744-C758 PolarHBondContact SG-SG 3.26Å; C748-C758 HydrophobicContact CB-CB 4.47Å; C758-G763 WeakPolarHBondContact CB-O 3.34Å; C758-E764 CarbonylContact C-O 3.52Å; C758-E764 WeakPolarHBondContact CA-O 3.23Å; C758-E764 WeakPolarHBondContact CB-O 3.46Å; C758-I766 WeakPolarHBondContact O-CD1 3.34Å
759D79.9Confident74.1Confident54 Ų5464.4 Ų64.429%0.28933%0.325SS..  trans-67.8129.9177.5-174.6-82.2000111.6W736 Q761 T762 G763 E764W736-D759 WeakPolarHBondContact CB-O 3.25Å; D759-Q761 PolarHBondContact O-N 2.97Å; D759-Q761 WeakPolarHBondContact OD1-CA 3.03Å; D759-Q761 WeakPolarHBondContact OD1-CB 3.46Å; D759-Q761 PolarHBondContact OD1-N 2.8Å; D759-T762 WeakPolarHBondContact CB-OG1 3.13Å; D759-T762 PolarHBondContact OD1-N 3.45Å; D759-G763 WeakPolarHBondContact O-CA 3.39Å; D759-G763 PolarHBondContact O-N 2.81Å; D759-E764 PolarHBondContact N-O 3.32Å
760P72.9Confident74.4Confident35 Ų3560 Ų6023%0.22730%0.302CS..THydrogen-bonded Turntrans-54.3-32.9179.3-31.238000115.2G721 C731 W736 G737G721-P760 VanDerWaalsContact CA-C 3.49Å; G721-P760 WeakPolarHBondContact CA-O 3.02Å; G721-P760 PolarHBondContact N-O 3.18Å; C731-P760 HydrophobicContact CB-CB 3.96Å; W736-P760 CarbonylContact C-O 3.56Å; W736-P760 VanDerWaalsContact CA-O 3.25Å; W736-P760 WeakPolarHBondContact CA-O 3.43Å; W736-P760 WeakPolarHBondContact CB-O 3.34Å; G737-P760 PolarHBondContact N-O 3.03Å
761Q74.8Confident75Confident124 Ų12461 Ų6158%0.57930%0.303SS*.THydrogen-bonded Turntrans-93.1-45.8-176.1-52.1-162.7-22.200111.8P720 D759P720-Q761 WeakPolarHBondContact O-CG 3.31Å; D759-Q761 PolarHBondContact O-N 2.97Å; D759-Q761 WeakPolarHBondContact OD1-CA 3.03Å; D759-Q761 WeakPolarHBondContact OD1-CB 3.46Å; D759-Q761 PolarHBondContact OD1-N 2.8Å
762T79.8Confident75.8Confident72 Ų7258.5 Ų58.544%0.44228%0.278SS..THydrogen-bonded Turntrans-100.3-21.1-169.272.20000114.8D759 E764D759-T762 WeakPolarHBondContact CB-OG1 3.13Å; D759-T762 PolarHBondContact OD1-N 3.45Å; T762-E764 VanDerWaalsContact C-N 3.26Å; T762-E764 PolarHBondContact O-N 3.33Å; T762-E764 WeakPolarHBondContact OG1-CG 3.28Å; T762-E764 PolarHBondContact OG1-N 3.47Å; T762-E764 PolarHBondContact OG1-OE2 3.31Å
763G76.4Confident75.8Confident5 Ų551.6 Ų51.65%0.05226%0.26CS..  trans76.15.2-173.800000115W736 P745 C758 D759W736-G763 VanDerWaalsContact CD2-CA 3.48Å; P745-G763 VanDerWaalsContact CD-O 3.25Å; P745-G763 WeakPolarHBondContact CD-O 3.34Å; P745-G763 WeakPolarHBondContact CG-O 3.25Å; C758-G763 WeakPolarHBondContact CB-O 3.34Å; D759-G763 WeakPolarHBondContact O-CA 3.39Å; D759-G763 PolarHBondContact O-N 2.81Å
764E81Confident75.6Confident139 Ų13953.6 Ų53.665%0.6528%0.281SS*.PPolyproline II helixtrans-72.3143.8177.1-67.5179.3136.300112.1C758 D759 T762 I766C758-E764 CarbonylContact C-O 3.52Å; C758-E764 WeakPolarHBondContact CA-O 3.23Å; C758-E764 WeakPolarHBondContact CB-O 3.46Å; D759-E764 PolarHBondContact N-O 3.32Å; T762-E764 VanDerWaalsContact C-N 3.26Å; T762-E764 PolarHBondContact O-N 3.33Å; T762-E764 WeakPolarHBondContact OG1-CG 3.28Å; T762-E764 PolarHBondContact OG1-N 3.47Å; T762-E764 PolarHBondContact OG1-OE2 3.31Å; E764-I766 PolarHBondContact O-N 3.39Å
765C79.1Confident75.5Confident26 Ų2654.1 Ų54.118%0.17629%0.286CS..EExtended strand (participates in β ladder)trans-67.2128.8-177.4-53.40000112.8C748 T755 G757C748-C765 WeakPolarHBondContact CA-SG 3.36Å; C748-C765 HydrophobicContact CB-CB 3.88Å; C748-C765 WeakPolarHBondContact CB-SG 3.15Å; C748-C765 WeakPolarHBondContact SG-CA 3.48Å; C748-C765 WeakPolarHBondContact SG-CB 3.39Å; C748-C765 CovalentContact SG-SG 2.04Å; C748-C765 PolarHBondContact SG-SG 2.94Å; T755-C765 HydrophobicContact CG2-CB 3.89Å; G757-C765 WeakPolarHBondContact O-CA 3.34Å
766I75.1Confident75.6Confident47 Ų4753.4 Ų53.424%0.24128%0.281CS..EExtended strand (participates in β ladder)trans-86.5126.6172.4-58.1172.2000108.4T755 K756 G757 C758 E764 F787T755-I766 CarbonylContact C-O 3.59Å; T755-I766 VanDerWaalsContact CA-O 3.25Å; T755-I766 WeakPolarHBondContact CA-O 3.47Å; K756-I766 HydrophobicContact CB-CG2 4.4Å; K756-I766 PolarHBondContact N-O 2.03Å; G757-I766 PolarHBondContact O-N 2.89Å; C758-I766 WeakPolarHBondContact O-CD1 3.34Å; E764-I766 PolarHBondContact O-N 3.39Å; I766-F787 HydrophobicContact CG2-CD1 4.22Å
767C79.9Confident75.9Confident0 Ų052.4 Ų52.40%028%0.281CS..EExtended strand (participates in β ladder)trans-81.4148175.8-54.20000112.1H754 Y771 P773 C776 F787 N788H754-C767 CarbonylContact O-C 3.52Å; H754-C767 WeakPolarHBondContact O-CA 3.47Å; C767-Y771 WeakPolarHBondContact CB-O 3.31Å; C767-P773 VanDerWaalsContact SG-N 3.44Å; C767-C776 WeakPolarHBondContact CA-SG 3.48Å; C767-C776 HydrophobicContact CB-CB 3.73Å; C767-C776 WeakPolarHBondContact CB-SG 3.08Å; C767-C776 WeakPolarHBondContact SG-CA 3.5Å; C767-C776 WeakPolarHBondContact SG-CB 3.46Å; C767-C776 CovalentContact SG-SG 2.04Å; C767-C776 PolarHBondContact SG-SG 3.06Å; C767-F787 VanDerWaalsContact O-CD1 3.23Å; C767-F787 WeakPolarHBondContact O-CD1 3.42Å; C767-N788 WeakPolarHBondContact CB-OD1 3.49Å; C767-N788 PolarHBondContact N-OD1 2.89Å
768K74.6Confident75.9Confident90 Ų9057.3 Ų57.339%0.39131%0.305SS..PPolyproline II helixtrans-60.1155.4167.4-67.9175.9-170.6175.80109.7H754 T755 G770 Y771H754-K768 HydrophobicContact CB-CB 4.42Å; H754-K768 HydrophobicContact CB-CD 4.27Å; H754-K768 WeakPolarHBondContact O-CB 3.3Å; H754-K768 WeakPolarHBondContact O-CG 3.25Å; H754-K768 PolarHBondContact O-N 3.31Å; T755-K768 WeakPolarHBondContact O-CE 3.26Å; K768-G770 PolarHBondContact O-N 3.17Å; K768-Y771 HydrophobicContact CB-CD2 4.24Å; K768-Y771 PolarHBondContact O-N 3.27Å
769P73.6Confident75.6Confident37 Ų3760.6 Ų60.624%0.2433%0.326CS..THydrogen-bonded Turntrans-53.4136.2175.9-25.135.1000111.4G786 F787 V803P769-G786 WeakPolarHBondContact CA-O 3.32Å; P769-F787 HydrophobicContact CG-CD1 4.27Å; P769-F787 HydrophobicContact CG-CD2 4Å; P769-F787 HydrophobicContact CG-CE1 3.92Å; P769-F787 HydrophobicContact CG-CE2 3.64Å; P769-F787 HydrophobicContact CG-CG 4.3Å; P769-F787 HydrophobicContact CG-CZ 3.58Å; P769-V803 HydrophobicContact CB-CG1 4.18Å
770G74.6Confident75.6Confident2 Ų258.8 Ų58.82%0.02132%0.317CS..THydrogen-bonded Turntrans89.63.8-178.400000116K768 P779 C780 G786 P802K768-G770 PolarHBondContact O-N 3.17Å; G770-P779 CarbonylContact O-C 3.53Å; G770-P779 WeakPolarHBondContact O-CA 3.09Å; G770-C780 WeakPolarHBondContact CA-SG 3.35Å; G770-C780 PolarHBondContact O-N 2.89Å; G770-G786 PolarHBondContact N-O 3.02Å; G770-G786 VanDerWaalsContact N-O 3.09Å; G770-P802 WeakPolarHBondContact CA-O 3.38Å; G770-P802 PolarHBondContact N-O 2.87Å
771Y83.8Confident75.8Confident65 Ų6559.7 Ų59.726%0.25532%0.323SS..BIsolated β-bridgetrans-129.1148.8178.7-61.8-90.8000113.2H754 C767 K768 L778 C789H754-Y771 HydrophobicContact CB-CD1 3.85Å; H754-Y771 HydrophobicContact CB-CD2 3.61Å; H754-Y771 HydrophobicContact CB-CE1 4.05Å; H754-Y771 HydrophobicContact CB-CE2 3.82Å; H754-Y771 HydrophobicContact CB-CG 3.62Å; H754-Y771 AromaticContact CD2-CE1 3.75Å; H754-Y771 AromaticContact CD2-CE2 3.85Å; H754-Y771 AromaticContact CD2-CZ 3.4Å; H754-Y771 PolarHBondContact CD2-OH 2.95Å; H754-Y771 AromaticContact CE1-CE1 3.45Å; H754-Y771 VanDerWaalsContact CE1-CE1 3.45Å; H754-Y771 WeakPolarHBondContact CE1-CE1 3.49Å; H754-Y771 AromaticContact CE1-CZ 3.85Å; H754-Y771 AromaticContact CG-CD1 3.69Å; H754-Y771 AromaticContact CG-CE1 3.42Å; H754-Y771 VanDerWaalsContact CG-CE1 3.42Å; H754-Y771 AromaticContact CG-CE2 3.78Å; H754-Y771 AromaticContact CG-CG 3.96Å; H754-Y771 AromaticContact CG-CZ 3.46Å; H754-Y771 VanDerWaalsContact CG-CZ 3.46Å; H754-Y771 AromaticContact ND1-CD1 3.49Å; H754-Y771 WeakPolarHBondContact ND1-CD1 3.35Å; H754-Y771 AromaticContact ND1-CE1 3.23Å; H754-Y771 WeakPolarHBondContact ND1-CE1 3.3Å; H754-Y771 AromaticContact ND1-CZ 3.74Å; H754-Y771 AromaticContact NE2-CE1 3.78Å; H754-Y771 AromaticContact NE2-CZ 3.67Å; H754-Y771 PolarHBondContact NE2-OH 3.21Å; C767-Y771 WeakPolarHBondContact CB-O 3.31Å; K768-Y771 HydrophobicContact CB-CD2 4.24Å; K768-Y771 PolarHBondContact O-N 3.27Å; Y771-L778 VanDerWaalsContact CA-O 3.31Å; Y771-L778 WeakPolarHBondContact CA-O 3.41Å; Y771-C789 PolarHBondContact O-SG 3.1Å
772Q76.5Confident75.7Confident62 Ų6259.4 Ų59.429%0.2933%0.332SS..  trans-106.8145.6-175.565-174.9-75.900114.1C776 L778 P779Q772-C776 WeakPolarHBondContact O-CA 3.05Å; Q772-C776 PolarHBondContact O-N 2.95Å; Q772-L778 HydrophobicContact CG-CB 3.68Å; Q772-L778 PolarHBondContact N-O 3.37Å; Q772-P779 PolarHBondContact NE2-O 2.03Å
773P68.3Low75.3Confident58 Ų5858.5 Ų58.538%0.37733%0.329SS..THydrogen-bonded Turntrans-64.9167170.4-19.432.8000112.8C767 N788C767-P773 VanDerWaalsContact SG-N 3.44Å; P773-N788 HydrophobicContact CG-CB 3.94Å
774P62.3Low75.4Confident103 Ų10363.4 Ų63.467%0.66935%0.346SS*.THydrogen-bonded Turncis-81.6-28.3-0.232-34.6000113.7
775D70.7Confident75.5Confident71 Ų7157.7 Ų57.738%0.3832%0.319SS..THydrogen-bonded Turntrans-86.7-13.2-170.3-66.3-67.2000115.1R753 I777R753-D775 IonicContact CZ-OD1 2.7Å; R753-D775 IonicContact NH1-OD1 3.18Å; R753-D775 PolarHBondContact NH1-OD1 3.15Å; R753-D775 IonicContact NH2-OD1 3.12Å; R753-D775 PolarHBondContact NH2-OD1 3.12Å; D775-I777 HydrophobicContact CB-CB 4.41Å; D775-I777 HydrophobicContact CB-CD1 3.77Å; D775-I777 HydrophobicContact CB-CG1 3.89Å; D775-I777 PolarHBondContact O-N 3.01Å
776C74.2Confident74.9Confident0 Ų056.7 Ų56.70%031%0.313CS..SBendtrans54.234.9-171.9-50.40000113.4H754 T755 C767 Q772H754-C776 VanDerWaalsContact CB-O 3.25Å; H754-C776 WeakPolarHBondContact CB-O 3.43Å; H754-C776 PolarHBondContact N-O 2.79Å; H754-C776 PolarHBondContact ND1-O 2.02Å; H754-C776 WeakPolarHBondContact O-CB 3.43Å; T755-C776 HydrophobicContact CG2-CB 3.92Å; C767-C776 WeakPolarHBondContact CA-SG 3.48Å; C767-C776 HydrophobicContact CB-CB 3.73Å; C767-C776 WeakPolarHBondContact CB-SG 3.08Å; C767-C776 WeakPolarHBondContact SG-CA 3.5Å; C767-C776 WeakPolarHBondContact SG-CB 3.46Å; C767-C776 CovalentContact SG-SG 2.04Å; C767-C776 PolarHBondContact SG-SG 3.06Å; Q772-C776 WeakPolarHBondContact O-CA 3.05Å; Q772-C776 PolarHBondContact O-N 2.95Å
777I77.5Confident74.8Confident95 Ų9559 Ų5949%0.48732%0.322SS..  trans-99.5-43176.4-64.2171.6000110.6D775D775-I777 HydrophobicContact CB-CB 4.41Å; D775-I777 HydrophobicContact CB-CD1 3.77Å; D775-I777 HydrophobicContact CB-CG1 3.89Å; D775-I777 PolarHBondContact O-N 3.01Å
778L75.9Confident74.3Confident109 Ų10961 Ų6157%0.57133%0.332SS*.SBendtrans-79.3138.7-175.9-75.9163.4000111.6Y771 Q772Y771-L778 VanDerWaalsContact CA-O 3.31Å; Y771-L778 WeakPolarHBondContact CA-O 3.41Å; Q772-L778 HydrophobicContact CG-CB 3.68Å; Q772-L778 PolarHBondContact N-O 3.37Å
779P77.5Confident74.5Confident78 Ų7857.2 Ų57.251%0.50632%0.318SS..BIsolated β-bridgetrans-71.6168.5172.432.1-35.7000111.7G770 Q772G770-P779 CarbonylContact O-C 3.53Å; G770-P779 WeakPolarHBondContact O-CA 3.09Å; Q772-P779 PolarHBondContact NE2-O 2.03Å
780C78.3Confident74.5Confident16 Ų1663.8 Ų63.811%0.10834%0.342CS..PPolyproline II helixtrans-64146.3176.7-64.70000113.4G770 Y784 C789 P802G770-C780 WeakPolarHBondContact CA-SG 3.35Å; G770-C780 PolarHBondContact O-N 2.89Å; C780-Y784 VanDerWaalsContact CB-O 3.28Å; C780-Y784 WeakPolarHBondContact CB-O 3.36Å; C780-C789 WeakPolarHBondContact CA-SG 3.16Å; C780-C789 HydrophobicContact CB-CB 3.81Å; C780-C789 WeakPolarHBondContact CB-SG 3.19Å; C780-C789 VanDerWaalsContact SG-CA 3.5Å; C780-C789 WeakPolarHBondContact SG-CB 3.2Å; C780-C789 CovalentContact SG-SG 2.03Å; C780-C789 PolarHBondContact SG-SG 3.19Å; C780-P802 HydrophobicContact CB-CB 4.05Å
781P78Confident74.3Confident54 Ų5468.6 Ų68.635%0.35137%0.365SS..PPolyproline II helixtrans-62.4157.8169.8-19.331.9000112.3S783 Y784P781-S783 PolarHBondContact O-N 2.7Å; P781-Y784 HydrophobicContact CB-CD2 3.99Å; P781-Y784 HydrophobicContact CG-CD2 4.46Å; P781-Y784 PolarHBondContact O-N 3.07Å
782P72.6Confident73.6Confident118 Ų11868.5 Ų68.577%0.76637%0.372SS*.THydrogen-bonded Turntrans-51.8139.1173.1-26.435.3000112.4Y784P782-Y784 VanDerWaalsContact C-N 3.27Å; P782-Y784 WeakPolarHBondContact O-CD2 3.3Å; P782-Y784 PolarHBondContact O-N 3.18Å
783S71.1Confident73.1Confident53 Ų5365.9 Ų65.937%0.37136%0.36SS..THydrogen-bonded Turntrans71.30.8-173-50.10000117P781 T792 C793P781-S783 PolarHBondContact O-N 2.7Å; S783-T792 CarbonylContact O-C 3.56Å; S783-T792 VanDerWaalsContact O-CA 3.31Å; S783-T792 WeakPolarHBondContact O-CA 3.43Å; S783-C793 PolarHBondContact O-N 3.34Å; S783-C793 PolarHBondContact O-SG 2.04Å
784Y79.2Confident72.5Confident109 Ų10971 Ų7143%0.42738%0.377SS..EExtended strand (participates in β ladder)trans-111.1143.5174.5-64.9-98.2000112.2C780 P781 P782 C789 M791 T792C780-Y784 VanDerWaalsContact CB-O 3.28Å; C780-Y784 WeakPolarHBondContact CB-O 3.36Å; P781-Y784 HydrophobicContact CB-CD2 3.99Å; P781-Y784 HydrophobicContact CG-CD2 4.46Å; P781-Y784 PolarHBondContact O-N 3.07Å; P782-Y784 VanDerWaalsContact C-N 3.27Å; P782-Y784 WeakPolarHBondContact O-CD2 3.3Å; P782-Y784 PolarHBondContact O-N 3.18Å; Y784-C789 WeakPolarHBondContact CD1-O 3.41Å; Y784-M791 CarbonylContact C-O 3.55Å; Y784-M791 VanDerWaalsContact CA-O 3.3Å; Y784-M791 WeakPolarHBondContact CA-O 3.4Å; Y784-T792 HydrophobicContact CD1-CG2 3.62Å; Y784-T792 HydrophobicContact CE1-CG2 3.44Å; Y784-T792 VanDerWaalsContact CE1-CG2 3.44Å; Y784-T792 HydrophobicContact CG-CG2 4.38Å
785F81.8Confident72.6Confident18 Ų1873 Ų738%0.07938%0.382CS..EExtended strand (participates in β ladder)trans-147.2175.8-179.273.4-88.1000113C789 M791 C793 P802 T819F785-C789 CarbonylContact O-C 3.54Å; F785-M791 HydrophobicContact CD1-CB 3.97Å; F785-M791 WeakPolarHBondContact CD1-O 3.33Å; F785-M791 HydrophobicContact CD2-CB 3.98Å; F785-M791 HydrophobicContact CD2-SD 4.27Å; F785-M791 HydrophobicContact CE1-CB 3.77Å; F785-M791 HydrophobicContact CE2-CB 3.78Å; F785-M791 HydrophobicContact CE2-CE 3.68Å; F785-M791 HydrophobicContact CE2-CG 4.39Å; F785-M791 HydrophobicContact CE2-SD 3.76Å; F785-M791 HydrophobicContact CG-CB 4.08Å; F785-M791 HydrophobicContact CZ-CB 3.69Å; F785-M791 HydrophobicContact CZ-CE 3.8Å; F785-M791 HydrophobicContact CZ-SD 4.32Å; F785-M791 PolarHBondContact N-O 3.45Å; F785-M791 WeakPolarHBondContact O-CB 3.48Å; F785-M791 PolarHBondContact O-N 3.03Å; F785-M791 VanDerWaalsContact O-N 3.17Å; F785-C793 HydrophobicContact CD1-CB 4.02Å; F785-C793 HydrophobicContact CE1-CB 3.91Å; F785-P802 CarbonylContact C-O 3.52Å; F785-P802 VanDerWaalsContact CA-O 3.25Å; F785-P802 WeakPolarHBondContact CA-O 3.27Å; F785-P802 WeakPolarHBondContact CB-O 3.2Å; F785-T819 HydrophobicContact CZ-CG2 4.2Å
786G68.4Low72.1Confident5 Ų570.4 Ų70.45%0.05237%0.369CS..SBendtrans79.1-163.2171.700000114.1P769 G770 N788 C789 P802P769-G786 WeakPolarHBondContact CA-O 3.32Å; G770-G786 PolarHBondContact N-O 3.02Å; G770-G786 VanDerWaalsContact N-O 3.09Å; G786-N788 PolarHBondContact O-N 2.84Å; G786-C789 PolarHBondContact O-N 3.41Å; G786-P802 PolarHBondContact N-O 2.96Å
787F72.2Confident71.6Confident97 Ų9778.8 Ų78.843%0.42541%0.408SS..G310 helixtrans-65.7130.1-177.2-80.3-82.3000111.9K756 I766 C767 P769 C789 K790K756-F787 HydrophobicContact CD-CE1 3.75Å; K756-F787 HydrophobicContact CD-CZ 4.06Å; I766-F787 HydrophobicContact CG2-CD1 4.22Å; C767-F787 VanDerWaalsContact O-CD1 3.23Å; C767-F787 WeakPolarHBondContact O-CD1 3.42Å; P769-F787 HydrophobicContact CG-CD1 4.27Å; P769-F787 HydrophobicContact CG-CD2 4Å; P769-F787 HydrophobicContact CG-CE1 3.92Å; P769-F787 HydrophobicContact CG-CE2 3.64Å; P769-F787 HydrophobicContact CG-CG 4.3Å; P769-F787 HydrophobicContact CG-CZ 3.58Å; F787-C789 PolarHBondContact O-N 3.39Å; F787-K790 PolarHBondContact O-N 3.3Å; F787-K790 VanDerWaalsContact O-N 3.12Å
788N70Confident71Confident40 Ų4080.1 Ų80.121%0.21442%0.416CS..G310 helixtrans48.226.5-175-62.91.4000113.7C767 P773 G786 K790C767-N788 WeakPolarHBondContact CB-OD1 3.49Å; C767-N788 PolarHBondContact N-OD1 2.89Å; P773-N788 HydrophobicContact CG-CB 3.94Å; G786-N788 PolarHBondContact O-N 2.84Å; N788-K790 HydrophobicContact CB-CG 4.34Å; N788-K790 PolarHBondContact O-N 3.32Å
789C77.7Confident70.4Confident12 Ų1275.5 Ų75.58%0.08140%0.395CS..G310 helixtrans54.629.5-176.1-500000115Y771 C780 Y784 F785 G786 F787Y771-C789 PolarHBondContact O-SG 3.1Å; C780-C789 WeakPolarHBondContact CA-SG 3.16Å; C780-C789 HydrophobicContact CB-CB 3.81Å; C780-C789 WeakPolarHBondContact CB-SG 3.19Å; C780-C789 VanDerWaalsContact SG-CA 3.5Å; C780-C789 WeakPolarHBondContact SG-CB 3.2Å; C780-C789 CovalentContact SG-SG 2.03Å; C780-C789 PolarHBondContact SG-SG 3.19Å; Y784-C789 WeakPolarHBondContact CD1-O 3.41Å; F785-C789 CarbonylContact O-C 3.54Å; G786-C789 PolarHBondContact O-N 3.41Å; F787-C789 PolarHBondContact O-N 3.39Å
790K74.6Confident70.2Confident174 Ų17472.4 Ų72.476%0.75738%0.375SS*.  trans-78.6-12.6-176.2-73.4-173.6174.1-177.90115.1F787 N788F787-K790 PolarHBondContact O-N 3.3Å; F787-K790 VanDerWaalsContact O-N 3.12Å; N788-K790 HydrophobicContact CB-CG 4.34Å; N788-K790 PolarHBondContact O-N 3.32Å
791M70.1Confident70.2Confident103 Ų10374.3 Ų74.351%0.50738%0.384SS..EExtended strand (participates in β ladder)trans-102140.6-176.9-56.1178.47200110.6Y784 F785Y784-M791 CarbonylContact C-O 3.55Å; Y784-M791 VanDerWaalsContact CA-O 3.3Å; Y784-M791 WeakPolarHBondContact CA-O 3.4Å; F785-M791 HydrophobicContact CD1-CB 3.97Å; F785-M791 WeakPolarHBondContact CD1-O 3.33Å; F785-M791 HydrophobicContact CD2-CB 3.98Å; F785-M791 HydrophobicContact CD2-SD 4.27Å; F785-M791 HydrophobicContact CE1-CB 3.77Å; F785-M791 HydrophobicContact CE2-CB 3.78Å; F785-M791 HydrophobicContact CE2-CE 3.68Å; F785-M791 HydrophobicContact CE2-CG 4.39Å; F785-M791 HydrophobicContact CE2-SD 3.76Å; F785-M791 HydrophobicContact CG-CB 4.08Å; F785-M791 HydrophobicContact CZ-CB 3.69Å; F785-M791 HydrophobicContact CZ-CE 3.8Å; F785-M791 HydrophobicContact CZ-SD 4.32Å; F785-M791 PolarHBondContact N-O 3.45Å; F785-M791 WeakPolarHBondContact O-CB 3.48Å; F785-M791 PolarHBondContact O-N 3.03Å; F785-M791 VanDerWaalsContact O-N 3.17Å
792T68.7Low70Confident63 Ų6374.1 Ų74.139%0.38738%0.383SS..EExtended strand (participates in β ladder)trans-114.5130.6179.8510000111.4S783 Y784 F794S783-T792 CarbonylContact O-C 3.56Å; S783-T792 VanDerWaalsContact O-CA 3.31Å; S783-T792 WeakPolarHBondContact O-CA 3.43Å; Y784-T792 HydrophobicContact CD1-CG2 3.62Å; Y784-T792 HydrophobicContact CE1-CG2 3.44Å; Y784-T792 VanDerWaalsContact CE1-CG2 3.44Å; Y784-T792 HydrophobicContact CG-CG2 4.38Å; T792-F794 WeakPolarHBondContact OG1-CE2 2.97Å
793C65.5Low70Confident7 Ų772.3 Ų72.35%0.04737%0.37CS..  trans-89.5113.317357.70000110.1S783 F785 C800S783-C793 PolarHBondContact O-N 3.34Å; S783-C793 PolarHBondContact O-SG 2.04Å; F785-C793 HydrophobicContact CD1-CB 4.02Å; F785-C793 HydrophobicContact CE1-CB 3.91Å; C793-C800 HydrophobicContact CB-CB 3.69Å; C793-C800 WeakPolarHBondContact CB-SG 3.5Å; C793-C800 WeakPolarHBondContact SG-CB 3.4Å; C793-C800 CovalentContact SG-SG 2.03Å; C793-C800 PolarHBondContact SG-SG 3.41Å
794F57.1Low69.9Low166 Ų16673.5 Ų73.573%0.72838%0.375SS*.  trans-79.2143.1177.2-79.3-95.7000110.9T792 C796T792-F794 WeakPolarHBondContact OG1-CE2 2.97Å; F794-C796 VanDerWaalsContact C-N 3.26Å; F794-C796 PolarHBondContact O-N 2.81Å
795D62.5Low69.3Low145 Ų14568.3 Ų68.378%0.77536%0.355SS*.SBendtrans5910.5171.6-108.2-0.3000118.9Q797D795-Q797 PolarHBondContact O-N 3.23Å; D795-Q797 VanDerWaalsContact O-N 3.14Å
796C61.7Low68.6Low17 Ų1774.9 Ų74.912%0.11538%0.379CS..  trans-69.4108169-580000111.3F794 N798 G799 C807F794-C796 VanDerWaalsContact C-N 3.26Å; F794-C796 PolarHBondContact O-N 2.81Å; C796-N798 PolarHBondContact O-N 3.01Å; C796-G799 VanDerWaalsContact CB-O 3.28Å; C796-G799 WeakPolarHBondContact CB-O 3.38Å; C796-G799 PolarHBondContact O-N 3.27Å; C796-C807 HydrophobicContact CB-CB 3.78Å; C796-C807 WeakPolarHBondContact CB-SG 3.22Å; C796-C807 WeakPolarHBondContact SG-CA 3.09Å; C796-C807 WeakPolarHBondContact SG-CB 3.27Å; C796-C807 CovalentContact SG-SG 2.04Å; C796-C807 PolarHBondContact SG-SG 2.8Å
797Q63.6Low68.5Low175 Ų17575.4 Ų75.482%0.81838%0.381SS*.THydrogen-bonded Turntrans-57.2-17.4-174.3-95-173.5-600117.4D795D795-Q797 PolarHBondContact O-N 3.23Å; D795-Q797 VanDerWaalsContact O-N 3.14Å
798N64.4Low68.2Low123 Ų12376.3 Ų76.366%0.65839%0.39SS*.THydrogen-bonded Turntrans-129.224.2172.4-76.6-53.9000111.8C796 V809C796-N798 PolarHBondContact O-N 3.01Å; N798-V809 HydrophobicContact CB-CG2 4.07Å; N798-V809 WeakPolarHBondContact ND2-CG2 3.5Å
799G64.3Low67.7Low12 Ų1277.4 Ų77.412%0.12440%0.398CS..  trans72.1-170.7-169.600000113.6C796 L808C796-G799 VanDerWaalsContact CB-O 3.28Å; C796-G799 WeakPolarHBondContact CB-O 3.38Å; C796-G799 PolarHBondContact O-N 3.27Å; G799-L808 PolarHBondContact O-N 2.79Å
800C72.8Confident66.8Low14 Ų1482.1 Ų82.110%0.09542%0.419CS..BIsolated β-bridgetrans-127.1164.3-17553.10000112.9C793 G805 R806C793-C800 HydrophobicContact CB-CB 3.69Å; C793-C800 WeakPolarHBondContact CB-SG 3.5Å; C793-C800 WeakPolarHBondContact SG-CB 3.4Å; C793-C800 CovalentContact SG-SG 2.03Å; C793-C800 PolarHBondContact SG-SG 3.41Å; C800-G805 VanDerWaalsContact CB-O 3.23Å; C800-G805 WeakPolarHBondContact CB-O 3.03Å; C800-R806 CarbonylContact C-O 3.58Å; C800-R806 VanDerWaalsContact CA-O 3.24Å; C800-R806 WeakPolarHBondContact CA-O 3.2Å; C800-R806 WeakPolarHBondContact CB-O 3.42Å
801D77.6Confident66.4Low55 Ų5574.4 Ų74.429%0.29439%0.387SS..  trans-57.5124165.5-178.5-71.7000110.6V803 T804 G805 R806D801-V803 VanDerWaalsContact C-N 3.26Å; D801-V803 PolarHBondContact O-N 3.17Å; D801-V803 WeakPolarHBondContact OD1-CA 3.11Å; D801-V803 WeakPolarHBondContact OD1-CB 3.08Å; D801-V803 PolarHBondContact OD1-N 3.33Å; D801-T804 PolarHBondContact OD1-N 2.04Å; D801-T804 PolarHBondContact OD1-OG1 3.4Å; D801-G805 VanDerWaalsContact O-CA 3.29Å; D801-G805 WeakPolarHBondContact O-CA 3.38Å; D801-G805 PolarHBondContact O-N 3.41Å; D801-R806 HydrophobicContact CB-CB 4.2Å; D801-R806 PolarHBondContact N-O 2.77Å
802P73.2Confident66.2Low50 Ų5072.1 Ų72.133%0.32538%0.38SS..THydrogen-bonded Turntrans-73.4-15-173.329.7-35.9000113.8G770 C780 F785 G786G770-P802 WeakPolarHBondContact CA-O 3.38Å; G770-P802 PolarHBondContact N-O 2.87Å; C780-P802 HydrophobicContact CB-CB 4.05Å; F785-P802 CarbonylContact C-O 3.52Å; F785-P802 VanDerWaalsContact CA-O 3.25Å; F785-P802 WeakPolarHBondContact CA-O 3.27Å; F785-P802 WeakPolarHBondContact CB-O 3.2Å; G786-P802 PolarHBondContact N-O 2.96Å
803V73.8Confident66.3Low80 Ų8072 Ų7249%0.48538%0.38SS..THydrogen-bonded Turntrans-88-43.2177.4176.40000110.4P769 D801P769-V803 HydrophobicContact CB-CG1 4.18Å; D801-V803 VanDerWaalsContact C-N 3.26Å; D801-V803 PolarHBondContact O-N 3.17Å; D801-V803 WeakPolarHBondContact OD1-CA 3.11Å; D801-V803 WeakPolarHBondContact OD1-CB 3.08Å; D801-V803 PolarHBondContact OD1-N 3.33Å
804T68.5Low66.5Low79 Ų7971.9 Ų71.949%0.48538%0.38SS..THydrogen-bonded Turntrans-114.7-5.4-168.976.80000115.2D801 R806D801-T804 PolarHBondContact OD1-N 2.04Å; D801-T804 PolarHBondContact OD1-OG1 3.4Å; T804-R806 PolarHBondContact O-N 2.02Å; T804-R806 VanDerWaalsContact O-N 3.17Å; T804-R806 VanDerWaalsContact OG1-CB 3.3Å; T804-R806 WeakPolarHBondContact OG1-CB 3.02Å; T804-R806 PolarHBondContact OG1-N 3.29Å
805G66.6Low67.3Low0 Ų067.3 Ų67.30%036%0.36CS..  trans70.43.3-176.200000115.1C800 D801 C807 T819C800-G805 VanDerWaalsContact CB-O 3.23Å; C800-G805 WeakPolarHBondContact CB-O 3.03Å; D801-G805 VanDerWaalsContact O-CA 3.29Å; D801-G805 WeakPolarHBondContact O-CA 3.38Å; D801-G805 PolarHBondContact O-N 3.41Å; G805-C807 PolarHBondContact O-N 2.84Å; G805-T819 VanDerWaalsContact O-CG2 3.23Å; G805-T819 WeakPolarHBondContact O-CG2 3.39Å
806R67.5Low67.9Low156 Ų15662.8 Ų62.859%0.58933%0.334SS*.  trans-67.4123.9-173.2-178.1178.5179.1172.21.2110.4C800 D801 T804 L808 L818C800-R806 CarbonylContact C-O 3.58Å; C800-R806 VanDerWaalsContact CA-O 3.24Å; C800-R806 WeakPolarHBondContact CA-O 3.2Å; C800-R806 WeakPolarHBondContact CB-O 3.42Å; D801-R806 HydrophobicContact CB-CB 4.2Å; D801-R806 PolarHBondContact N-O 2.77Å; T804-R806 PolarHBondContact O-N 2.02Å; T804-R806 VanDerWaalsContact O-N 3.17Å; T804-R806 VanDerWaalsContact OG1-CB 3.3Å; T804-R806 WeakPolarHBondContact OG1-CB 3.02Å; T804-R806 PolarHBondContact OG1-N 3.29Å; R806-L808 PolarHBondContact O-N 3.01Å; R806-L818 WeakPolarHBondContact CA-O 3.02Å; R806-L818 HydrophobicContact CG-CD2 4.35Å
807C66.5Low68Low15 Ų1563.3 Ų63.310%0.10134%0.342CS..BIsolated β-bridgetrans-58.9138175.4-66.10000110.6C796 G805 V809 L818 C820C796-C807 HydrophobicContact CB-CB 3.78Å; C796-C807 WeakPolarHBondContact CB-SG 3.22Å; C796-C807 WeakPolarHBondContact SG-CA 3.09Å; C796-C807 WeakPolarHBondContact SG-CB 3.27Å; C796-C807 CovalentContact SG-SG 2.04Å; C796-C807 PolarHBondContact SG-SG 2.8Å; G805-C807 PolarHBondContact O-N 2.84Å; C807-V809 PolarHBondContact O-N 3.15Å; C807-L818 PolarHBondContact N-O 2.72Å; C807-C820 PolarHBondContact SG-SG 2.04Å
808L65.8Low67.9Low116 Ų11660.3 Ų60.361%0.60733%0.331SS*.SBendtrans-76.71.8-179.5-63.3172.4000113.6G799 R806G799-L808 PolarHBondContact O-N 2.79Å; R806-L808 PolarHBondContact O-N 3.01Å
809V58.9Low67.6Low63 Ų6356 Ų5638%0.38231%0.309SS..SBendtrans-143.6158.3-175.5-168.80000109N798 C807N798-V809 HydrophobicContact CB-CG2 4.07Å; N798-V809 WeakPolarHBondContact ND2-CG2 3.5Å; C807-V809 PolarHBondContact O-N 3.15Å
810E59.8Low67.7Low112 Ų11256 Ų5652%0.52331%0.307SS..PPolyproline II helixtrans-52.4140.3174.7-62.2177.6165.800113.5K831E810-K831 WeakPolarHBondContact OE2-CD 3.18Å; E810-K831 WeakPolarHBondContact OE2-CE 3.19Å; E810-K831 IonicContact OE2-NZ 3.38Å; E810-K831 PolarHBondContact OE2-NZ 3.41Å
811C64.7Low67.4Low12 Ų1259.6 Ų59.68%0.08132%0.323CS..PPolyproline II helixtrans-62.8149.6174-64.20000113C820C811-C820 WeakPolarHBondContact CA-SG 3.38Å; C811-C820 HydrophobicContact CB-CB 3.86Å; C811-C820 WeakPolarHBondContact CB-SG 3.41Å; C811-C820 WeakPolarHBondContact SG-CA 3.33Å; C811-C820 WeakPolarHBondContact SG-CB 3.39Å; C811-C820 CovalentContact SG-SG 2.04Å; C811-C820 PolarHBondContact SG-SG 2.03Å
812P67Low66.9Low55 Ų5561.3 Ų61.336%0.35733%0.329SS..PPolyproline II helixtrans-61.9158.6174.126.7-34.7000112.2G814 K815P812-G814 PolarHBondContact O-N 3.01Å; P812-K815 PolarHBondContact O-N 3.41Å
813P70.5Confident66.9Low61 Ų6164 Ų6440%0.39634%0.34SS..THydrogen-bonded Turntrans-55.5139.2177.5-22.833.6000112K815 K831 T853P813-K815 VanDerWaalsContact C-N 3.35Å; P813-K831 HydrophobicContact CG-CG 4.24Å; P813-T853 HydrophobicContact CB-CG2 4.41Å; P813-T853 VanDerWaalsContact O-CG2 3.22Å; P813-T853 WeakPolarHBondContact O-CG2 3.21Å
814G70.2Confident67.1Low4 Ų461 Ų614%0.04132%0.323CS..THydrogen-bonded Turntrans88.6-7.1-177.500000115.3P812 C824 G830 P852P812-G814 PolarHBondContact O-N 3.01Å; G814-C824 VanDerWaalsContact CA-SG 3.57Å; G814-C824 PolarHBondContact O-N 3.23Å; G814-C824 PolarHBondContact O-SG 3.37Å; G814-C824 VanDerWaalsContact O-SG 3.33Å; G814-G830 PolarHBondContact N-O 2.02Å; G814-P852 VanDerWaalsContact CA-O 3.25Å; G814-P852 WeakPolarHBondContact CA-O 3.19Å; G814-P852 PolarHBondContact N-O 3.18Å
815K73.6Confident67.2Low70 Ų7059.7 Ų59.730%0.30432%0.316SS..EExtended strand (participates in β ladder)trans-123152.4175.8-63.9-144.9178.5-116.30114.6P812 P813 C820 Q822 D823P812-K815 PolarHBondContact O-N 3.41Å; P813-K815 VanDerWaalsContact C-N 3.35Å; K815-C820 WeakPolarHBondContact CD-O 2.99Å; K815-Q822 CarbonylContact C-O 3.35Å; K815-Q822 VanDerWaalsContact CA-O 3.29Å; K815-Q822 WeakPolarHBondContact CA-O 3.37Å; K815-D823 WeakPolarHBondContact CE-OD1 3.04Å; K815-D823 IonicContact NZ-OD1 3.15Å; K815-D823 PolarHBondContact NZ-OD1 2.92Å; K815-D823 IonicContact NZ-OD2 2.8Å
816H74.6Confident67.2Low49 Ų4965.2 Ų65.223%0.22735%0.351CS..EExtended strand (participates in β ladder)trans-142.5-163169.172.8111.1000109.6C820 E821 Q822 D823 C833H816-C820 CarbonylContact O-C 3.53Å; H816-C820 WeakPolarHBondContact O-CA 3.39Å; H816-E821 PolarHBondContact O-N 2.87Å; H816-Q822 PolarHBondContact CD2-O 2.04Å; H816-Q822 PolarHBondContact CE1-OE1 2.04Å; H816-Q822 PolarHBondContact N-O 2.93Å; H816-Q822 PolarHBondContact ND1-OE1 3.5Å; H816-Q822 PolarHBondContact O-N 2.89Å; H816-D823 PolarHBondContact NE2-O 2.85Å; H816-C833 VanDerWaalsContact CD2-SG 3.5Å
817G63.3Low67.4Low28 Ų2857.9 Ų57.929%0.28933%0.325SS..SBendtrans96.5177.7-169.100000111.8E821G817-E821 WeakPolarHBondContact CA-OE2 3.43Å
818L62.6Low68.2Low113 Ų11361.6 Ų61.659%0.59234%0.337SS*.SBendtrans-84.2-31.5-178.4-83.3162000112.1R806 C807 E821R806-L818 WeakPolarHBondContact CA-O 3.02Å; R806-L818 HydrophobicContact CG-CD2 4.35Å; C807-L818 PolarHBondContact N-O 2.72Å; L818-E821 PolarHBondContact N-OE1 2.87Å; L818-E821 PolarHBondContact N-OE2 3.43Å
819T58.3Low69.1Low32 Ų3258.8 Ų58.820%0.19632%0.319CS..SBendtrans-113.723.917881.70000111.2F785 G805 E821F785-T819 HydrophobicContact CZ-CG2 4.2Å; G805-T819 VanDerWaalsContact O-CG2 3.23Å; G805-T819 WeakPolarHBondContact O-CG2 3.39Å; T819-E821 VanDerWaalsContact C-OE2 3.29Å; T819-E821 WeakPolarHBondContact CA-OE2 3.32Å; T819-E821 PolarHBondContact N-OE2 2.81Å; T819-E821 PolarHBondContact O-N 3.25Å; T819-E821 PolarHBondContact OG1-OE2 3.48Å
820C66.6Low69.9Low12 Ų1256.1 Ų56.18%0.08130%0.304CS..SBendtrans54.533.7-174.5-51.30000114.1C807 C811 K815 H816C807-C820 PolarHBondContact SG-SG 2.04Å; C811-C820 WeakPolarHBondContact CA-SG 3.38Å; C811-C820 HydrophobicContact CB-CB 3.86Å; C811-C820 WeakPolarHBondContact CB-SG 3.41Å; C811-C820 WeakPolarHBondContact SG-CA 3.33Å; C811-C820 WeakPolarHBondContact SG-CB 3.39Å; C811-C820 CovalentContact SG-SG 2.04Å; C811-C820 PolarHBondContact SG-SG 2.03Å; K815-C820 WeakPolarHBondContact CD-O 2.99Å; H816-C820 CarbonylContact O-C 3.53Å; H816-C820 WeakPolarHBondContact O-CA 3.39Å
821E65.8Low70.5Confident90 Ų9055.9 Ų55.942%0.42130%0.301SS..  trans-87.5-15.7-17474.3-71.8-172.700114.3H816 G817 L818 T819H816-E821 PolarHBondContact O-N 2.87Å; G817-E821 WeakPolarHBondContact CA-OE2 3.43Å; L818-E821 PolarHBondContact N-OE1 2.87Å; L818-E821 PolarHBondContact N-OE2 3.43Å; T819-E821 VanDerWaalsContact C-OE2 3.29Å; T819-E821 WeakPolarHBondContact CA-OE2 3.32Å; T819-E821 PolarHBondContact N-OE2 2.81Å; T819-E821 PolarHBondContact O-N 3.25Å; T819-E821 PolarHBondContact OG1-OE2 3.48Å
822Q67.7Low70.8Confident90 Ų9061.1 Ų61.142%0.42133%0.325SS..EExtended strand (participates in β ladder)trans-105.5129.8-173.1-53.7-178.3-9.800110.9K815 H816K815-Q822 CarbonylContact C-O 3.35Å; K815-Q822 VanDerWaalsContact CA-O 3.29Å; K815-Q822 WeakPolarHBondContact CA-O 3.37Å; H816-Q822 PolarHBondContact CD2-O 2.04Å; H816-Q822 PolarHBondContact CE1-OE1 2.04Å; H816-Q822 PolarHBondContact N-O 2.93Å; H816-Q822 PolarHBondContact ND1-OE1 3.5Å; H816-Q822 PolarHBondContact O-N 2.89Å
823D72.6Confident71.4Confident107 Ų10759 Ų5957%0.57231%0.311SS*.EExtended strand (participates in β ladder)trans-81.1148.8173.2-60.6-42.5000110.8K815 H816K815-D823 WeakPolarHBondContact CE-OD1 3.04Å; K815-D823 IonicContact NZ-OD1 3.15Å; K815-D823 PolarHBondContact NZ-OD1 2.92Å; K815-D823 IonicContact NZ-OD2 2.8Å; H816-D823 PolarHBondContact NE2-O 2.85Å
824C77.3Confident71.8Confident16 Ų1660.2 Ų60.211%0.10832%0.321CS..PPolyproline II helixtrans-57139.3-170.5-72.40000114.6G814 C833 P852G814-C824 VanDerWaalsContact CA-SG 3.57Å; G814-C824 PolarHBondContact O-N 3.23Å; G814-C824 PolarHBondContact O-SG 3.37Å; G814-C824 VanDerWaalsContact O-SG 3.33Å; C824-C833 WeakPolarHBondContact CA-SG 3.11Å; C824-C833 HydrophobicContact CB-CB 3.76Å; C824-C833 WeakPolarHBondContact CB-SG 3.02Å; C824-C833 WeakPolarHBondContact SG-CA 3.04Å; C824-C833 WeakPolarHBondContact SG-CB 3.34Å; C824-C833 CovalentContact SG-SG 2.03Å; C824-C833 PolarHBondContact SG-SG 2.02Å; C824-P852 HydrophobicContact CB-CB 3.74Å
825P71.5Confident72.1Confident52 Ų5267 Ų6734%0.33835%0.345SS..PPolyproline II helixtrans-62150.7-178.9-22.434000112.5G827 Y828P825-G827 PolarHBondContact O-N 2.03Å; P825-G827 VanDerWaalsContact O-N 3.11Å; P825-Y828 HydrophobicContact CB-CD2 4.05Å; P825-Y828 PolarHBondContact O-N 2.83Å
826P67.2Low72.3Confident116 Ų11668.3 Ų68.375%0.75335%0.352SS*.THydrogen-bonded Turntrans-51.3119.7177.3-28.235.7000112.2T849P826-T849 HydrophobicContact CB-CG2 4.06Å
827G70.8Confident72Confident3 Ų366.4 Ų66.43%0.03134%0.344CS..THydrogen-bonded Turntrans100.81.1-176.500000115.4P825 H836 C837P825-G827 PolarHBondContact O-N 2.03Å; P825-G827 VanDerWaalsContact O-N 3.11Å; G827-H836 CarbonylContact O-C 3.55Å; G827-H836 WeakPolarHBondContact O-CA 3.29Å; G827-C837 VanDerWaalsContact CA-SG 3.51Å; G827-C837 PolarHBondContact O-N 3.11Å; G827-C837 PolarHBondContact O-SG 2.78Å
828Y82.8Confident72.6Confident93 Ų9375.5 Ų75.537%0.36537%0.37SS..EExtended strand (participates in β ladder)trans-125.8152.3179.8-64.5-93.4000114P825 C833 R835 H836P825-Y828 HydrophobicContact CB-CD2 4.05Å; P825-Y828 PolarHBondContact O-N 2.83Å; Y828-C833 WeakPolarHBondContact CD1-O 3.24Å; Y828-R835 CarbonylContact C-O 3.49Å; Y828-R835 VanDerWaalsContact CA-O 3.26Å; Y828-R835 WeakPolarHBondContact CA-O 3.39Å; Y828-H836 AromaticContact CE1-CD2 3.84Å; Y828-H836 AromaticContact CE1-CE1 3.38Å; Y828-H836 WeakPolarHBondContact CE1-CE1 3.37Å; Y828-H836 AromaticContact CE1-ND1 3.83Å; Y828-H836 AromaticContact CE1-NE2 3.36Å; Y828-H836 WeakPolarHBondContact CE1-NE2 3.07Å; Y828-H836 AromaticContact CE2-CE1 3.98Å; Y828-H836 AromaticContact CZ-CE1 3.23Å; Y828-H836 AromaticContact CZ-ND1 3.9Å; Y828-H836 AromaticContact CZ-NE2 3.59Å; Y828-H836 PolarHBondContact OH-CE1 3.18Å; Y828-H836 PolarHBondContact OH-NE2 3.39Å
829W85Confident72.9Confident57 Ų5770.2 Ų70.222%0.21634%0.342CS..EExtended strand (participates in β ladder)trans-151.6169.4-179.968.8-80.2000114C833 S834 R835 H836 P852 S854 G855W829-C833 CarbonylContact O-C 3.57Å; W829-S834 PolarHBondContact O-N 3.23Å; W829-R835 HydrophobicContact CD2-CB 3.96Å; W829-R835 HydrophobicContact CG-CB 4.11Å; W829-R835 VanDerWaalsContact CH2-NH1 3.3Å; W829-R835 HydrophobicContact CZ2-CB 4.17Å; W829-R835 PolarHBondContact N-O 3.05Å; W829-R835 PolarHBondContact O-N 2.96Å; W829-R835 VanDerWaalsContact O-N 3.14Å; W829-H836 PolarHBondContact NE1-O 2.83Å; W829-P852 CarbonylContact C-O 3.59Å; W829-P852 VanDerWaalsContact CA-O 3.22Å; W829-P852 WeakPolarHBondContact CA-O 3.32Å; W829-P852 WeakPolarHBondContact CB-O 3.32Å; W829-S854 WeakPolarHBondContact CZ3-O 3.06Å; W829-G855 VanDerWaalsContact CG-CA 3.45Å
830G75.2Confident73.3Confident7 Ų770.4 Ų70.47%0.07235%0.351CS..SBendtrans87.8-167173.600000114.3G814 Q832 C833 P852G814-G830 PolarHBondContact N-O 2.02Å; G830-Q832 PolarHBondContact O-N 2.04Å; G830-C833 PolarHBondContact O-N 3.35Å; G830-P852 PolarHBondContact N-O 3.38Å
831K73.4Confident73.3Confident107 Ų10777.2 Ų77.247%0.46538%0.376SS..G310 helixtrans-58.6130.8174.9-82.5-168164.8-165.50110.3E810 P813 C833 S834E810-K831 WeakPolarHBondContact OE2-CD 3.18Å; E810-K831 WeakPolarHBondContact OE2-CE 3.19Å; E810-K831 IonicContact OE2-NZ 3.38Å; E810-K831 PolarHBondContact OE2-NZ 3.41Å; P813-K831 HydrophobicContact CG-CG 4.24Å; K831-C833 PolarHBondContact O-N 3.27Å; K831-S834 VanDerWaalsContact O-CB 3.31Å; K831-S834 WeakPolarHBondContact O-CB 3.48Å; K831-S834 PolarHBondContact O-N 2.73Å; K831-S834 PolarHBondContact O-OG 2.9Å
832Q70.8Confident72.9Confident122 Ų12275.4 Ų75.457%0.5737%0.369SS*.G310 helixtrans49.325.8-177-54-176.5-68.200113.8G830 S834G830-Q832 PolarHBondContact O-N 2.04Å; Q832-S834 PolarHBondContact O-N 3.31Å; Q832-S834 VanDerWaalsContact O-N 3.13Å
833C80.1Confident72.2Confident10 Ų1079.3 Ų79.37%0.06839%0.387CS..G310 helixtrans56.826.6-177.1-43.90000114.1H816 C824 Y828 W829 G830 K831 R835H816-C833 VanDerWaalsContact CD2-SG 3.5Å; C824-C833 WeakPolarHBondContact CA-SG 3.11Å; C824-C833 HydrophobicContact CB-CB 3.76Å; C824-C833 WeakPolarHBondContact CB-SG 3.02Å; C824-C833 WeakPolarHBondContact SG-CA 3.04Å; C824-C833 WeakPolarHBondContact SG-CB 3.34Å; C824-C833 CovalentContact SG-SG 2.03Å; C824-C833 PolarHBondContact SG-SG 2.02Å; Y828-C833 WeakPolarHBondContact CD1-O 3.24Å; W829-C833 CarbonylContact O-C 3.57Å; G830-C833 PolarHBondContact O-N 3.35Å; K831-C833 PolarHBondContact O-N 3.27Å; C833-R835 PolarHBondContact O-N 3.26Å
834S79.3Confident71.1Confident87 Ų8782.8 Ų82.861%0.60840%0.397SS*.  trans-713-169.754.90000116.3W829 K831 Q832W829-S834 PolarHBondContact O-N 3.23Å; K831-S834 VanDerWaalsContact O-CB 3.31Å; K831-S834 WeakPolarHBondContact O-CB 3.48Å; K831-S834 PolarHBondContact O-N 2.73Å; K831-S834 PolarHBondContact O-OG 2.9Å; Q832-S834 PolarHBondContact O-N 3.31Å; Q832-S834 VanDerWaalsContact O-N 3.13Å
835R76.2Confident70.2Confident145 Ų14584.4 Ų84.455%0.54742%0.417SS..EExtended strand (participates in β ladder)trans-130.3137-177.3-62.8-177.1168.9-169.4-5.2111.9Y828 W829 C833Y828-R835 CarbonylContact C-O 3.49Å; Y828-R835 VanDerWaalsContact CA-O 3.26Å; Y828-R835 WeakPolarHBondContact CA-O 3.39Å; W829-R835 HydrophobicContact CD2-CB 3.96Å; W829-R835 HydrophobicContact CG-CB 4.11Å; W829-R835 VanDerWaalsContact CH2-NH1 3.3Å; W829-R835 HydrophobicContact CZ2-CB 4.17Å; W829-R835 PolarHBondContact N-O 3.05Å; W829-R835 PolarHBondContact O-N 2.96Å; W829-R835 VanDerWaalsContact O-N 3.14Å; C833-R835 PolarHBondContact O-N 3.26Å
836H77.2Confident69.1Low99 Ų9986.2 Ų86.246%0.45842%0.424SS..EExtended strand (participates in β ladder)trans-76.4146.9171.3-84.7-84.1000112.7G827 Y828 W829G827-H836 CarbonylContact O-C 3.55Å; G827-H836 WeakPolarHBondContact O-CA 3.29Å; Y828-H836 AromaticContact CE1-CD2 3.84Å; Y828-H836 AromaticContact CE1-CE1 3.38Å; Y828-H836 WeakPolarHBondContact CE1-CE1 3.37Å; Y828-H836 AromaticContact CE1-ND1 3.83Å; Y828-H836 AromaticContact CE1-NE2 3.36Å; Y828-H836 WeakPolarHBondContact CE1-NE2 3.07Å; Y828-H836 AromaticContact CE2-CE1 3.98Å; Y828-H836 AromaticContact CZ-CE1 3.23Å; Y828-H836 AromaticContact CZ-ND1 3.9Å; Y828-H836 AromaticContact CZ-NE2 3.59Å; Y828-H836 PolarHBondContact OH-CE1 3.18Å; Y828-H836 PolarHBondContact OH-NE2 3.39Å; W829-H836 PolarHBondContact NE1-O 2.83Å
837C69.2Low68.8Low9 Ų983.6 Ų83.66%0.06140%0.403CS..  trans-64.1140.3165.7-59.50000110.7G827 I847 C850G827-C837 VanDerWaalsContact CA-SG 3.51Å; G827-C837 PolarHBondContact O-N 3.11Å; G827-C837 PolarHBondContact O-SG 2.78Å; C837-I847 HydrophobicContact CB-CG2 4.1Å; C837-C850 VanDerWaalsContact CA-SG 3.57Å; C837-C850 HydrophobicContact CB-CB 3.73Å; C837-C850 WeakPolarHBondContact CB-SG 3.39Å; C837-C850 WeakPolarHBondContact SG-CB 3.47Å; C837-C850 PolarHBondContact SG-N 2.74Å; C837-C850 CovalentContact SG-SG 2.03Å; C837-C850 PolarHBondContact SG-SG 2.97Å
838R74.8Confident68.4Low219 Ų21986.4 Ų86.483%0.82641%0.412SS*.  trans-10533.2176.8-77.6-173.8169174.5-3.6113.1G840 N867R838-G840 VanDerWaalsContact C-N 3.3Å; R838-G840 PolarHBondContact O-N 2.99Å; R838-N867 PolarHBondContact O-OD1 3Å
839C69.5Low67.7Low1 Ų185.5 Ų85.51%0.00742%0.417CS..SBendtrans-90.115.9-166.1-530000115R848 C857C839-R848 HydrophobicContact CB-CB 3.69Å; C839-R848 WeakPolarHBondContact CB-O 3.3Å; C839-R848 WeakPolarHBondContact O-CB 3.04Å; C839-R848 WeakPolarHBondContact O-CD 3.44Å; C839-C857 WeakPolarHBondContact CA-SG 3.23Å; C839-C857 HydrophobicContact CB-CB 3.73Å; C839-C857 WeakPolarHBondContact CB-SG 3.47Å; C839-C857 WeakPolarHBondContact SG-CA 3.24Å; C839-C857 WeakPolarHBondContact SG-CB 3.11Å; C839-C857 CovalentContact SG-SG 2.03Å; C839-C857 PolarHBondContact SG-SG 2.85Å
840G65.3Low67.2Low37 Ų3783.5 Ų83.538%0.38141%0.411SS..  trans71-171.2-16900000113.3R838 R848R838-G840 VanDerWaalsContact C-N 3.3Å; R838-G840 PolarHBondContact O-N 2.99Å; G840-R848 PolarHBondContact O-N 3.11Å
841Y68.1Low67.2Low155 Ų15585.6 Ų85.661%0.60842%0.421SS*.BIsolated β-bridgetrans-108.4162.7178.2-61.3-85.8000110.9G845 N846 I847 R848Y841-G845 VanDerWaalsContact CD1-O 3.31Å; Y841-G845 WeakPolarHBondContact CD1-O 3.19Å; Y841-N846 CarbonylContact C-O 3.58Å; Y841-N846 WeakPolarHBondContact CA-O 3.42Å; Y841-I847 HydrophobicContact CD1-CG1 4.04Å; Y841-I847 HydrophobicContact CE1-CD1 4.5Å; Y841-I847 HydrophobicContact CE1-CG1 3.58Å; Y841-R848 PolarHBondContact O-NE 3.4Å
842D56.3Low67Low52 Ų5282.8 Ų82.828%0.27841%0.414SS..  trans-86.4175.9164.775.41.3000111.8K844 G845 N846D842-K844 PolarHBondContact O-N 2.7Å; D842-K844 VanDerWaalsContact OD1-C 3.24Å; D842-K844 VanDerWaalsContact OD1-CA 3.31Å; D842-K844 WeakPolarHBondContact OD1-CA 3.34Å; D842-K844 WeakPolarHBondContact OD1-CB 3.23Å; D842-K844 PolarHBondContact OD1-N 3.39Å; D842-G845 PolarHBondContact O-N 3.28Å; D842-G845 VanDerWaalsContact O-N 3.08Å; D842-G845 PolarHBondContact OD1-N 2.94Å; D842-N846 PolarHBondContact N-O 3.36Å; D842-N846 WeakPolarHBondContact OD1-CB 3.45Å; D842-N846 PolarHBondContact OD1-N 2.86Å; D842-N846 PolarHBondContact OD1-ND2 3.42Å; D842-N846 VanDerWaalsContact OD1-ND2 3.09Å; D842-N846 PolarHBondContact OD2-ND2 2.82Å
843E52.9Low67.1Low171 Ų17180.9 Ų80.980%0.79941%0.41SS*.THydrogen-bonded Turntrans-63.5-2178-61.4132.5-116.400113.7K860E843-K860 IonicContact OE1-NZ 2.75Å; E843-K860 PolarHBondContact OE1-NZ 2.95Å
844K51Low66.8Low180 Ų18082.9 Ų82.978%0.78343%0.425SS*.THydrogen-bonded Turntrans-1199.7179.3-60.8-178-179.7-175.90112.5D842D842-K844 PolarHBondContact O-N 2.7Å; D842-K844 VanDerWaalsContact OD1-C 3.24Å; D842-K844 VanDerWaalsContact OD1-CA 3.31Å; D842-K844 WeakPolarHBondContact OD1-CA 3.34Å; D842-K844 WeakPolarHBondContact OD1-CB 3.23Å; D842-K844 PolarHBondContact OD1-N 3.39Å
845G56.4Low66.4Low51 Ų5179.5 Ų79.553%0.52640%0.404SS..SBendtrans81.18.6177.100000115.6Y841 D842Y841-G845 VanDerWaalsContact CD1-O 3.31Å; Y841-G845 WeakPolarHBondContact CD1-O 3.19Å; D842-G845 PolarHBondContact O-N 3.28Å; D842-G845 VanDerWaalsContact O-N 3.08Å; D842-G845 PolarHBondContact OD1-N 2.94Å
846N49.6Very low66.3Low89 Ų8976.8 Ų76.848%0.47640%0.403SS..PPolyproline II helixtrans-83.3142.3178.2-51.5-73.7000111.1Y841 D842 R848Y841-N846 CarbonylContact C-O 3.58Å; Y841-N846 WeakPolarHBondContact CA-O 3.42Å; D842-N846 PolarHBondContact N-O 3.36Å; D842-N846 WeakPolarHBondContact OD1-CB 3.45Å; D842-N846 PolarHBondContact OD1-N 2.86Å; D842-N846 PolarHBondContact OD1-ND2 3.42Å; D842-N846 VanDerWaalsContact OD1-ND2 3.09Å; D842-N846 PolarHBondContact OD2-ND2 2.82Å; N846-R848 PolarHBondContact O-N 3.38Å
847I60Low66.1Low61 Ų6172.7 Ų72.731%0.31339%0.386SS..BIsolated β-bridgetrans-63123.9172.8-68.9176.2000109.4C837 Y841C837-I847 HydrophobicContact CB-CG2 4.1Å; Y841-I847 HydrophobicContact CD1-CG1 4.04Å; Y841-I847 HydrophobicContact CE1-CD1 4.5Å; Y841-I847 HydrophobicContact CE1-CG1 3.58Å
848R63.8Low66Low62 Ų6275.7 Ų75.723%0.23441%0.406CS..PPolyproline II helixtrans-64.1137.8175-78171.2164.3-1531.3110.8C839 G840 Y841 N846 C868C839-R848 HydrophobicContact CB-CB 3.69Å; C839-R848 WeakPolarHBondContact CB-O 3.3Å; C839-R848 WeakPolarHBondContact O-CB 3.04Å; C839-R848 WeakPolarHBondContact O-CD 3.44Å; G840-R848 PolarHBondContact O-N 3.11Å; Y841-R848 PolarHBondContact O-NE 3.4Å; N846-R848 PolarHBondContact O-N 3.38Å; R848-C868 PolarHBondContact NH1-O 3.15Å; R848-C868 VanDerWaalsContact NH1-O 3.14Å
849T67.4Low65.9Low74 Ų7465.6 Ų65.645%0.45437%0.369SS..PPolyproline II helixtrans-70.9142.7-174.744.90000113.9P826 S858P826-T849 HydrophobicContact CB-CG2 4.06Å; T849-S858 PolarHBondContact O-N 3.32Å
850C75Confident65.7Low15 Ų1571.1 Ų71.110%0.10139%0.393CS..BIsolated β-bridgetrans-122.6165.3171.567.50000111.7C837 T856C837-C850 VanDerWaalsContact CA-SG 3.57Å; C837-C850 HydrophobicContact CB-CB 3.73Å; C837-C850 WeakPolarHBondContact CB-SG 3.39Å; C837-C850 WeakPolarHBondContact SG-CB 3.47Å; C837-C850 PolarHBondContact SG-N 2.74Å; C837-C850 CovalentContact SG-SG 2.03Å; C837-C850 PolarHBondContact SG-SG 2.97Å; C850-T856 CarbonylContact C-O 3.34Å; C850-T856 WeakPolarHBondContact CA-O 3.03Å; C850-T856 WeakPolarHBondContact CB-O 3.14Å
851D74.1Confident66Low52 Ų5270.8 Ų70.828%0.27839%0.387SS..  trans-55.5122.2169.1171.1-23.5000110T853 S854 G855 T856D851-T853 VanDerWaalsContact C-N 3.28Å; D851-T853 PolarHBondContact O-N 3.04Å; D851-T853 WeakPolarHBondContact OD1-CA 3.03Å; D851-T853 WeakPolarHBondContact OD1-CB 3.4Å; D851-T853 PolarHBondContact OD1-N 2.82Å; D851-T853 PolarHBondContact OD1-OG1 3.4Å; D851-S854 WeakPolarHBondContact CB-OG 3.26Å; D851-S854 PolarHBondContact O-N 3.19Å; D851-S854 PolarHBondContact OD1-N 3.49Å; D851-S854 WeakPolarHBondContact OD2-CB 3.27Å; D851-S854 PolarHBondContact OD2-OG 3.04Å; D851-G855 WeakPolarHBondContact O-CA 3.04Å; D851-G855 PolarHBondContact O-N 3.37Å; D851-T856 WeakPolarHBondContact CB-O 3.46Å; D851-T856 PolarHBondContact N-O 2.72Å
852P70.3Confident66.3Low48 Ų4863.7 Ų63.731%0.31236%0.36SS..THydrogen-bonded Turntrans-69.5-25.8-17429.8-36.5000112.8G814 C824 W829 G830G814-P852 VanDerWaalsContact CA-O 3.25Å; G814-P852 WeakPolarHBondContact CA-O 3.19Å; G814-P852 PolarHBondContact N-O 3.18Å; C824-P852 HydrophobicContact CB-CB 3.74Å; W829-P852 CarbonylContact C-O 3.59Å; W829-P852 VanDerWaalsContact CA-O 3.22Å; W829-P852 WeakPolarHBondContact CA-O 3.32Å; W829-P852 WeakPolarHBondContact CB-O 3.32Å; G830-P852 PolarHBondContact N-O 3.38Å
853T72.7Confident67.5Low81 Ų8166.1 Ų66.150%0.49737%0.367SS..THydrogen-bonded Turntrans-78.8-4817614.60000112.2P813 D851P813-T853 HydrophobicContact CB-CG2 4.41Å; P813-T853 VanDerWaalsContact O-CG2 3.22Å; P813-T853 WeakPolarHBondContact O-CG2 3.21Å; D851-T853 VanDerWaalsContact C-N 3.28Å; D851-T853 PolarHBondContact O-N 3.04Å; D851-T853 WeakPolarHBondContact OD1-CA 3.03Å; D851-T853 WeakPolarHBondContact OD1-CB 3.4Å; D851-T853 PolarHBondContact OD1-N 2.82Å; D851-T853 PolarHBondContact OD1-OG1 3.4Å
854S74.1Confident68.7Low53 Ų5361.3 Ų61.337%0.37134%0.341SS..THydrogen-bonded Turntrans-107.5-15.6-16778.20000115.6W829 D851 T856W829-S854 WeakPolarHBondContact CZ3-O 3.06Å; D851-S854 WeakPolarHBondContact CB-OG 3.26Å; D851-S854 PolarHBondContact O-N 3.19Å; D851-S854 PolarHBondContact OD1-N 3.49Å; D851-S854 WeakPolarHBondContact OD2-CB 3.27Å; D851-S854 PolarHBondContact OD2-OG 3.04Å; S854-T856 PolarHBondContact O-N 2.03Å; S854-T856 WeakPolarHBondContact OG-CB 3.43Å; S854-T856 PolarHBondContact OG-N 3.1Å; S854-T856 PolarHBondContact OG-OG1 2.04Å
855G70.6Confident69.6Low16 Ų1654 Ų5417%0.16532%0.316CS..  trans75.85.1-173.700000114.8W829 D851W829-G855 VanDerWaalsContact CG-CA 3.45Å; D851-G855 WeakPolarHBondContact O-CA 3.04Å; D851-G855 PolarHBondContact O-N 3.37Å
856T73.8Confident70.1Confident88 Ų8860.1 Ų60.154%0.5433%0.328SS..  trans-73127.2-177.8-52.60000111C850 D851 S854C850-T856 CarbonylContact C-O 3.34Å; C850-T856 WeakPolarHBondContact CA-O 3.03Å; C850-T856 WeakPolarHBondContact CB-O 3.14Å; D851-T856 WeakPolarHBondContact CB-O 3.46Å; D851-T856 PolarHBondContact N-O 2.72Å; S854-T856 PolarHBondContact O-N 2.03Å; S854-T856 WeakPolarHBondContact OG-CB 3.43Å; S854-T856 PolarHBondContact OG-N 3.1Å; S854-T856 PolarHBondContact OG-OG1 2.04Å
857C72.8Confident71Confident13 Ų1359.2 Ų59.29%0.08832%0.324CS..BIsolated β-bridgetrans-65.2137.7-178.7-610000112.5C839 K866 C868C839-C857 WeakPolarHBondContact CA-SG 3.23Å; C839-C857 HydrophobicContact CB-CB 3.73Å; C839-C857 WeakPolarHBondContact CB-SG 3.47Å; C839-C857 WeakPolarHBondContact SG-CA 3.24Å; C839-C857 WeakPolarHBondContact SG-CB 3.11Å; C839-C857 CovalentContact SG-SG 2.03Å; C839-C857 PolarHBondContact SG-SG 2.85Å; C857-K866 PolarHBondContact SG-O 3.33Å; C857-K866 VanDerWaalsContact SG-O 3.42Å; C857-C868 VanDerWaalsContact CB-SG 3.53Å
858S68.4Low71.5Confident71 Ų7156.6 Ų56.650%0.49731%0.311SS..  trans-97.1100.3176.5-70.10000110.2T849T849-S858 PolarHBondContact O-N 3.32Å
859C71.9Confident72Confident7 Ų758 Ų585%0.04732%0.323CS..PPolyproline II helixtrans-79.9134.5-172.2-53.60000112.7Y863 C868 P879 N880C859-Y863 WeakPolarHBondContact CB-O 3.41Å; C859-C868 WeakPolarHBondContact CA-SG 3.43Å; C859-C868 HydrophobicContact CB-CB 3.65Å; C859-C868 WeakPolarHBondContact CB-SG 2.95Å; C859-C868 PolarHBondContact N-SG 2.92Å; C859-C868 VanDerWaalsContact N-SG 3.43Å; C859-C868 WeakPolarHBondContact SG-CA 3.36Å; C859-C868 WeakPolarHBondContact SG-CB 2.94Å; C859-C868 CovalentContact SG-SG 2.04Å; C859-C868 PolarHBondContact SG-SG 2.81Å; C859-P879 WeakPolarHBondContact O-CA 3.28Å; C859-N880 WeakPolarHBondContact CB-OD1 3.1Å; C859-N880 PolarHBondContact N-OD1 2.95Å; C859-N880 PolarHBondContact O-N 2.83Å
860K65.1Low72.5Confident118 Ų11858.5 Ų58.551%0.51332%0.32SS..PPolyproline II helixtrans-51.2151.1167.5-69.7-173.7-179.8-179.50109.3E843 G862 Y863E843-K860 IonicContact OE1-NZ 2.75Å; E843-K860 PolarHBondContact OE1-NZ 2.95Å; K860-G862 PolarHBondContact O-N 3.01Å; K860-Y863 PolarHBondContact O-N 2.79Å; K860-Y863 VanDerWaalsContact O-N 3.12Å
861A71.5Confident72.6Confident30 Ų3062 Ų6225%0.24834%0.343CS..BIsolated β-bridgetrans-55.3139173.200000110.6G878 V897A861-G878 WeakPolarHBondContact CA-O 3.18Å; A861-V897 HydrophobicContact CB-CB 4.5Å; A861-V897 HydrophobicContact CB-CG1 3.93Å; A861-V897 WeakPolarHBondContact CB-O 3.37Å
862G74.6Confident72.9Confident5 Ų560.4 Ų60.45%0.05234%0.335CS..THydrogen-bonded Turntrans98.6-16.9-168.900000115.4K860 C872 P896K860-G862 PolarHBondContact O-N 3.01Å; G862-C872 PolarHBondContact O-N 2.81Å; G862-C872 PolarHBondContact O-SG 2.91Å; G862-C872 VanDerWaalsContact O-SG 3.41Å; G862-P896 VanDerWaalsContact CA-O 3.31Å; G862-P896 WeakPolarHBondContact CA-O 3.13Å; G862-P896 PolarHBondContact N-O 2.75Å
863Y80.9Confident73.3Confident104 Ų10463.8 Ų63.841%0.40835%0.347SS..EExtended strand (participates in β ladder)trans-128.6152-170.8-64.1-90.8000114.8C859 K860 E870 N880 C881C859-Y863 WeakPolarHBondContact CB-O 3.41Å; K860-Y863 PolarHBondContact O-N 2.79Å; K860-Y863 VanDerWaalsContact O-N 3.12Å; Y863-E870 CarbonylContact C-O 3.32Å; Y863-E870 WeakPolarHBondContact CA-O 3.5Å; Y863-N880 VanDerWaalsContact O-CA 3.29Å; Y863-N880 WeakPolarHBondContact O-CA 2.98Å; Y863-N880 PolarHBondContact O-N 3.1Å; Y863-C881 VanDerWaalsContact C-SG 3.52Å; Y863-C881 PolarHBondContact O-SG 3.07Å
864R77.8Confident73.3Confident70 Ų7067.4 Ų67.426%0.26436%0.362SS..EExtended strand (participates in β ladder)trans-139.4-163.517270.6-174.1-152.9-149.627.5108.9C868 D869 E870 P871 E873R864-C868 CarbonylContact O-C 3.48Å; R864-C868 VanDerWaalsContact O-CA 3.27Å; R864-C868 WeakPolarHBondContact O-CA 3.5Å; R864-D869 PolarHBondContact O-N 2.84Å; R864-D869 VanDerWaalsContact O-N 3.13Å; R864-E870 HydrophobicContact CG-CB 3.5Å; R864-E870 VanDerWaalsContact CG-CB 3.5Å; R864-E870 IonicContact CZ-OE2 3Å; R864-E870 PolarHBondContact N-O 3.21Å; R864-E870 IonicContact NE-OE2 2.72Å; R864-E870 PolarHBondContact NE-OE2 2.93Å; R864-E870 IonicContact NH2-OE2 3.13Å; R864-E870 PolarHBondContact NH2-OE2 3.37Å; R864-E870 PolarHBondContact O-N 2.63Å; R864-P871 WeakPolarHBondContact CD-O 3.45Å; R864-P871 PolarHBondContact NH1-O 3.22Å; R864-P871 VanDerWaalsContact NH1-O 3.13Å; R864-E873 IonicContact CZ-OE1 2.72Å; R864-E873 IonicContact NH1-OE1 3.8Å; R864-E873 PolarHBondContact NH1-OE1 3.37Å; R864-E873 IonicContact NH2-OE1 3.99Å; R864-E873 PolarHBondContact NH2-OE1 3.48Å
865G71.6Confident73.3Confident25 Ų2566 Ų6626%0.25836%0.356SS..THydrogen-bonded Turntrans89.3166.7173.900000112.2N867 C868 E870G865-N867 VanDerWaalsContact C-N 3.25Å; G865-N867 PolarHBondContact O-N 3.34Å; G865-C868 PolarHBondContact O-N 3.27Å; G865-E870 VanDerWaalsContact CA-OE1 3.32Å; G865-E870 WeakPolarHBondContact CA-OE1 3.25Å
866K66.3Low73.9Confident180 Ų18066.7 Ų66.778%0.78336%0.357SS*.THydrogen-bonded Turntrans-70.2-22.4-164-151.1171.3-170.6171.70113.7C857 D869C857-K866 PolarHBondContact SG-O 3.33Å; C857-K866 VanDerWaalsContact SG-O 3.42Å; K866-D869 PolarHBondContact N-OD1 3.31Å
867N69.2Low74.6Confident71 Ų7165 Ų6538%0.3834%0.341SS..THydrogen-bonded Turntrans-121.516.9176.6-34-71.1000111.5R838 G865 D869R838-N867 PolarHBondContact O-OD1 3Å; G865-N867 VanDerWaalsContact C-N 3.25Å; G865-N867 PolarHBondContact O-N 3.34Å; N867-D869 WeakPolarHBondContact CA-OD1 3.43Å; N867-D869 HydrophobicContact CB-CB 4.45Å; N867-D869 PolarHBondContact N-OD1 2.92Å; N867-D869 PolarHBondContact ND2-OD2 2.99Å
868C70.3Confident74.7Confident6 Ų664.4 Ų64.44%0.04134%0.337CS..THydrogen-bonded Turntrans58.649-172.9-57.60000113.5R848 C857 C859 R864 G865R848-C868 PolarHBondContact NH1-O 3.15Å; R848-C868 VanDerWaalsContact NH1-O 3.14Å; C857-C868 VanDerWaalsContact CB-SG 3.53Å; C859-C868 WeakPolarHBondContact CA-SG 3.43Å; C859-C868 HydrophobicContact CB-CB 3.65Å; C859-C868 WeakPolarHBondContact CB-SG 2.95Å; C859-C868 PolarHBondContact N-SG 2.92Å; C859-C868 VanDerWaalsContact N-SG 3.43Å; C859-C868 WeakPolarHBondContact SG-CA 3.36Å; C859-C868 WeakPolarHBondContact SG-CB 2.94Å; C859-C868 CovalentContact SG-SG 2.04Å; C859-C868 PolarHBondContact SG-SG 2.81Å; R864-C868 CarbonylContact O-C 3.48Å; R864-C868 VanDerWaalsContact O-CA 3.27Å; R864-C868 WeakPolarHBondContact O-CA 3.5Å; G865-C868 PolarHBondContact O-N 3.27Å
869D74Confident75Confident90 Ų9064.4 Ų64.448%0.48134%0.335SS..  trans-125-11.6-166.747.1-20.3000113.8R864 K866 N867R864-D869 PolarHBondContact O-N 2.84Å; R864-D869 VanDerWaalsContact O-N 3.13Å; K866-D869 PolarHBondContact N-OD1 3.31Å; N867-D869 WeakPolarHBondContact CA-OD1 3.43Å; N867-D869 HydrophobicContact CB-CB 4.45Å; N867-D869 PolarHBondContact N-OD1 2.92Å; N867-D869 PolarHBondContact ND2-OD2 2.99Å
870E77.2Confident75.2Confident85 Ų8566.2 Ų66.240%0.39735%0.345SS..EExtended strand (participates in β ladder)trans-95.1139.9170.7-72169-133.500110.4Y863 R864 G865Y863-E870 CarbonylContact C-O 3.32Å; Y863-E870 WeakPolarHBondContact CA-O 3.5Å; R864-E870 HydrophobicContact CG-CB 3.5Å; R864-E870 VanDerWaalsContact CG-CB 3.5Å; R864-E870 IonicContact CZ-OE2 3Å; R864-E870 PolarHBondContact N-O 3.21Å; R864-E870 IonicContact NE-OE2 2.72Å; R864-E870 PolarHBondContact NE-OE2 2.93Å; R864-E870 IonicContact NH2-OE2 3.13Å; R864-E870 PolarHBondContact NH2-OE2 3.37Å; R864-E870 PolarHBondContact O-N 2.63Å; G865-E870 VanDerWaalsContact CA-OE1 3.32Å; G865-E870 WeakPolarHBondContact CA-OE1 3.25Å
871P77.8Confident75.9Confident90 Ų9061.3 Ų61.358%0.58433%0.325SS*.EExtended strand (participates in β ladder)trans-75.6161.1171.431.3-34.5000112.6R864R864-P871 WeakPolarHBondContact CD-O 3.45Å; R864-P871 PolarHBondContact NH1-O 3.22Å; R864-P871 VanDerWaalsContact NH1-O 3.13Å
872C79.9Confident76.5Confident18 Ų1869.4 Ų69.412%0.12235%0.349CS..PPolyproline II helixtrans-60.5147.4172.6-64.30000113.1G862 T876 C881 P896G862-C872 PolarHBondContact O-N 2.81Å; G862-C872 PolarHBondContact O-SG 2.91Å; G862-C872 VanDerWaalsContact O-SG 3.41Å; C872-T876 WeakPolarHBondContact CB-O 3.47Å; C872-C881 WeakPolarHBondContact CA-SG 3.36Å; C872-C881 HydrophobicContact CB-CB 3.76Å; C872-C881 WeakPolarHBondContact CB-SG 3.06Å; C872-C881 VanDerWaalsContact SG-CA 3.6Å; C872-C881 WeakPolarHBondContact SG-CB 3.29Å; C872-C881 CovalentContact SG-SG 2.03Å; C872-C881 PolarHBondContact SG-SG 3.08Å; C872-P896 HydrophobicContact CB-CB 3.71Å
873E77.7Confident76.6Confident118 Ų11873 Ų7355%0.55137%0.367SS*.PPolyproline II helixtrans-77.8146.3177.9-135.2148.1-105.900110.2R864 G875 T876R864-E873 IonicContact CZ-OE1 2.72Å; R864-E873 IonicContact NH1-OE1 3.8Å; R864-E873 PolarHBondContact NH1-OE1 3.37Å; R864-E873 IonicContact NH2-OE1 3.99Å; R864-E873 PolarHBondContact NH2-OE1 3.48Å; E873-G875 PolarHBondContact O-N 3.46Å; E873-T876 PolarHBondContact N-OG1 3.11Å; E873-T876 VanDerWaalsContact N-OG1 3.07Å; E873-T876 PolarHBondContact O-N 3.34Å; E873-T876 PolarHBondContact O-OG1 3.49Å
874I72.7Confident76.5Confident158 Ų15876.1 Ų76.181%0.8138%0.383SS*.THydrogen-bonded Turntrans-56.7117.3-178-59.5170.6000109.1
875G74.8Confident76.1Confident24 Ų2474 Ų7425%0.24738%0.378CS..THydrogen-bonded Turntrans104.60.9-171.500000115.2E873 K884 C885E873-G875 PolarHBondContact O-N 3.46Å; G875-K884 WeakPolarHBondContact O-CA 3.32Å; G875-C885 WeakPolarHBondContact CA-SG 3.03Å; G875-C885 PolarHBondContact O-N 3.21Å; G875-C885 PolarHBondContact O-SG 3.12Å
876T84.2Confident76.1Confident29 Ų2978.7 Ų78.718%0.17839%0.393CS..EExtended strand (participates in β ladder)trans-128.7147.8177.162.10000113.5C872 E873 C881 L883C872-T876 WeakPolarHBondContact CB-O 3.47Å; E873-T876 PolarHBondContact N-OG1 3.11Å; E873-T876 VanDerWaalsContact N-OG1 3.07Å; E873-T876 PolarHBondContact O-N 3.34Å; E873-T876 PolarHBondContact O-OG1 3.49Å; T876-C881 WeakPolarHBondContact CB-O 3.37Å; T876-L883 CarbonylContact C-O 3.52Å; T876-L883 VanDerWaalsContact CA-O 3.23Å; T876-L883 WeakPolarHBondContact CA-O 3.1Å
877Y87.8Confident76.1Confident52 Ų5270.6 Ų70.620%0.20436%0.359CS..EExtended strand (participates in β ladder)trans-148.4175.6-179.575.5-86.4000113C881 R882 L883 C894 D895 P896 G899Y877-C881 CarbonylContact O-C 3.44Å; Y877-C881 WeakPolarHBondContact O-CA 3.02Å; Y877-R882 PolarHBondContact O-N 2.74Å; Y877-L883 HydrophobicContact CD1-CB 3.73Å; Y877-L883 WeakPolarHBondContact CD1-O 3.39Å; Y877-L883 HydrophobicContact CD2-CB 3.93Å; Y877-L883 HydrophobicContact CD2-CD1 3.89Å; Y877-L883 HydrophobicContact CE1-CB 3.49Å; Y877-L883 VanDerWaalsContact CE1-CB 3.49Å; Y877-L883 HydrophobicContact CE2-CB 3.69Å; Y877-L883 HydrophobicContact CE2-CD1 3.33Å; Y877-L883 HydrophobicContact CE2-CG 4.14Å; Y877-L883 HydrophobicContact CG-CB 3.96Å; Y877-L883 VanDerWaalsContact CZ-CB 3.46Å; Y877-L883 PolarHBondContact N-O 3.11Å; Y877-L883 WeakPolarHBondContact O-CB 3.25Å; Y877-L883 PolarHBondContact O-N 3.09Å; Y877-C894 VanDerWaalsContact CD1-SG 3.52Å; Y877-D895 WeakPolarHBondContact CB-O 3.35Å; Y877-P896 CarbonylContact C-O 3.54Å; Y877-P896 VanDerWaalsContact CA-O 3.26Å; Y877-P896 WeakPolarHBondContact CA-O 3.07Å; Y877-P896 WeakPolarHBondContact CB-O 3.02Å; Y877-G899 VanDerWaalsContact CD2-N 3.33Å
878G75Confident75.6Confident2 Ų269.2 Ų69.22%0.02136%0.362CS..SBendtrans81.1-176.217400000113.7A861 N880 C881 P896A861-G878 WeakPolarHBondContact CA-O 3.18Å; G878-N880 PolarHBondContact O-N 3.32Å; G878-C881 WeakPolarHBondContact O-CA 3.42Å; G878-C881 PolarHBondContact O-N 3.44Å; G878-P896 PolarHBondContact N-O 2.83Å
879P74.3Confident74.9Confident70 Ų7077.5 Ų77.546%0.45540%0.404SS..BIsolated β-bridgetrans-64.4126.5-17525.5-33.8000111.6C859 C881C859-P879 WeakPolarHBondContact O-CA 3.28Å; P879-C881 PolarHBondContact O-N 3.35Å
880N76.1Confident73.7Confident45 Ų4575 Ų7524%0.24139%0.394CS..THydrogen-bonded Turntrans57.124.5-170.2-41-84000113.9C859 Y863 G878 R882C859-N880 WeakPolarHBondContact CB-OD1 3.1Å; C859-N880 PolarHBondContact N-OD1 2.95Å; C859-N880 PolarHBondContact O-N 2.83Å; Y863-N880 VanDerWaalsContact O-CA 3.29Å; Y863-N880 WeakPolarHBondContact O-CA 2.98Å; Y863-N880 PolarHBondContact O-N 3.1Å; G878-N880 PolarHBondContact O-N 3.32Å; N880-R882 HydrophobicContact CB-CG 4.17Å; N880-R882 PolarHBondContact O-N 2.04Å; N880-R882 VanDerWaalsContact O-N 3.16Å
881C81.1Confident72.5Confident15 Ų1578.2 Ų78.210%0.10141%0.414CS..THydrogen-bonded Turntrans55.431.9177.7-47.10000114.5Y863 C872 T876 Y877 G878 P879Y863-C881 VanDerWaalsContact C-SG 3.52Å; Y863-C881 PolarHBondContact O-SG 3.07Å; C872-C881 WeakPolarHBondContact CA-SG 3.36Å; C872-C881 HydrophobicContact CB-CB 3.76Å; C872-C881 WeakPolarHBondContact CB-SG 3.06Å; C872-C881 VanDerWaalsContact SG-CA 3.6Å; C872-C881 WeakPolarHBondContact SG-CB 3.29Å; C872-C881 CovalentContact SG-SG 2.03Å; C872-C881 PolarHBondContact SG-SG 3.08Å; T876-C881 WeakPolarHBondContact CB-O 3.37Å; Y877-C881 CarbonylContact O-C 3.44Å; Y877-C881 WeakPolarHBondContact O-CA 3.02Å; G878-C881 WeakPolarHBondContact O-CA 3.42Å; G878-C881 PolarHBondContact O-N 3.44Å; P879-C881 PolarHBondContact O-N 3.35Å
882R83.4Confident71.6Confident201 Ų20178.3 Ų78.376%0.75841%0.408SS*.  trans-77.1-18-172.9-69.1179.3178.7-173.11.6114.6Y877 N880Y877-R882 PolarHBondContact O-N 2.74Å; N880-R882 HydrophobicContact CB-CG 4.17Å; N880-R882 PolarHBondContact O-N 2.04Å; N880-R882 VanDerWaalsContact O-N 3.16Å
883L76.9Confident70.9Confident81 Ų8177.9 Ų77.942%0.42441%0.407SS..EExtended strand (participates in β ladder)trans-97.8138.6-175.2-55.6174000109.8T876 Y877T876-L883 CarbonylContact C-O 3.52Å; T876-L883 VanDerWaalsContact CA-O 3.23Å; T876-L883 WeakPolarHBondContact CA-O 3.1Å; Y877-L883 HydrophobicContact CD1-CB 3.73Å; Y877-L883 WeakPolarHBondContact CD1-O 3.39Å; Y877-L883 HydrophobicContact CD2-CB 3.93Å; Y877-L883 HydrophobicContact CD2-CD1 3.89Å; Y877-L883 HydrophobicContact CE1-CB 3.49Å; Y877-L883 VanDerWaalsContact CE1-CB 3.49Å; Y877-L883 HydrophobicContact CE2-CB 3.69Å; Y877-L883 HydrophobicContact CE2-CD1 3.33Å; Y877-L883 HydrophobicContact CE2-CG 4.14Å; Y877-L883 HydrophobicContact CG-CB 3.96Å; Y877-L883 VanDerWaalsContact CZ-CB 3.46Å; Y877-L883 PolarHBondContact N-O 3.11Å; Y877-L883 WeakPolarHBondContact O-CB 3.25Å; Y877-L883 PolarHBondContact O-N 3.09Å
884K77.4Confident70.9Confident169 Ų16973.1 Ų73.174%0.73539%0.386SS*.EExtended strand (participates in β ladder)trans-97.8137.6177.3-79.2-174.7173.3-175.80111.5G875G875-K884 WeakPolarHBondContact O-CA 3.32Å
885C71.3Confident71.1Confident26 Ų2668.7 Ų68.718%0.17636%0.364CS..PPolyproline II helixtrans-60.7143.8174.8-56.50000111.8G875 C894G875-C885 WeakPolarHBondContact CA-SG 3.03Å; G875-C885 PolarHBondContact O-N 3.21Å; G875-C885 PolarHBondContact O-SG 3.12Å; C885-C894 VanDerWaalsContact CA-SG 3.57Å; C885-C894 HydrophobicContact CB-CB 3.75Å; C885-C894 WeakPolarHBondContact CB-SG 3.44Å; C885-C894 WeakPolarHBondContact SG-CB 3.33Å; C885-C894 PolarHBondContact SG-N 3.49Å; C885-C894 CovalentContact SG-SG 2.03Å; C885-C894 PolarHBondContact SG-SG 2.95Å
886Q70.4Confident71.2Confident122 Ų12269.9 Ų69.957%0.5737%0.368SS*.  trans-116.744.2177.7-65.3-168.6-2.700112.4G888 K911Q886-G888 VanDerWaalsContact C-N 3.27Å; Q886-G888 PolarHBondContact O-N 2.76Å; Q886-G888 VanDerWaalsContact O-N 3.17Å; Q886-K911 HydrophobicContact CB-CG 4.32Å
887C67.6Low70.9Confident10 Ų1072.2 Ų72.27%0.06838%0.382CS..  trans-79.68-167.3-49.80000116.5G893 C901 C912C887-G893 PolarHBondContact SG-O 3.27Å; C887-C901 WeakPolarHBondContact CA-SG 3.27Å; C887-C901 HydrophobicContact CB-CB 3.64Å; C887-C901 WeakPolarHBondContact CB-SG 3.3Å; C887-C901 WeakPolarHBondContact SG-CB 2.98Å; C887-C901 CovalentContact SG-SG 2.03Å; C887-C901 PolarHBondContact SG-SG 2.94Å; C887-C912 WeakPolarHBondContact O-CB 3.44Å
888G58.6Low70.3Confident42 Ų4272.9 Ų72.943%0.43339%0.391SS..THydrogen-bonded Turntrans70.6-153.4-178.700000113.5Q886Q886-G888 VanDerWaalsContact C-N 3.27Å; Q886-G888 PolarHBondContact O-N 2.76Å; Q886-G888 VanDerWaalsContact O-N 3.17Å
889I55.7Low70.2Confident180 Ų18072.9 Ų72.992%0.92339%0.391SS*.THydrogen-bonded Turntrans-75.8-25.9-167.7-55.5173.1000112N891I889-N891 PolarHBondContact O-N 3.22Å
890S48.7Very low70.1Confident39 Ų3972.1 Ų72.127%0.27338%0.383SS..SBendtrans-78.494.6171.748.20000110.6I892S890-I892 PolarHBondContact O-N 3.32Å
891N51.7Low69.9Low152 Ų15270 Ų7081%0.81337%0.372SS*.  trans-77.947.4-168.2-153.421.1000114.3I889 G893I889-N891 PolarHBondContact O-N 3.22Å; N891-G893 VanDerWaalsContact C-N 3.35Å
892I58.5Low69Low91 Ų9175.5 Ų75.547%0.46740%0.396SS..  trans-77.3-21.2-173.7-65.2167.7000112.1S890 Q902S890-I892 PolarHBondContact O-N 3.32Å; I892-Q902 HydrophobicContact CG2-CB 4.05Å
893G65Low68Low9 Ų966.7 Ų66.79%0.09337%0.365CS..  trans91.8-178.6-174.100000112.8C887 N891C887-G893 PolarHBondContact SG-O 3.27Å; N891-G893 VanDerWaalsContact C-N 3.35Å
894C77.2Confident66.8Low18 Ų1866.2 Ų66.212%0.12237%0.367CS..BIsolated β-bridgetrans-133.6158.2177.368.90000110.7Y877 C885 L900Y877-C894 VanDerWaalsContact CD1-SG 3.52Å; C885-C894 VanDerWaalsContact CA-SG 3.57Å; C885-C894 HydrophobicContact CB-CB 3.75Å; C885-C894 WeakPolarHBondContact CB-SG 3.44Å; C885-C894 WeakPolarHBondContact SG-CB 3.33Å; C885-C894 PolarHBondContact SG-N 3.49Å; C885-C894 CovalentContact SG-SG 2.03Å; C885-C894 PolarHBondContact SG-SG 2.95Å; C894-L900 CarbonylContact C-O 3.56Å; C894-L900 VanDerWaalsContact CA-O 3.24Å; C894-L900 WeakPolarHBondContact CA-O 3.37Å; C894-L900 VanDerWaalsContact CB-O 3.31Å; C894-L900 WeakPolarHBondContact CB-O 3.01Å
895D78.4Confident65.6Low65 Ų6565.7 Ų65.735%0.34837%0.372SS..  trans-54.4128.4175.7172.7-90.8000110.6Y877 V897 T898 G899 L900Y877-D895 WeakPolarHBondContact CB-O 3.35Å; D895-V897 PolarHBondContact O-N 3.47Å; D895-V897 WeakPolarHBondContact OD1-CA 3.11Å; D895-V897 WeakPolarHBondContact OD1-CB 3.45Å; D895-V897 PolarHBondContact OD1-N 2.83Å; D895-T898 WeakPolarHBondContact CB-OG1 3.12Å; D895-T898 VanDerWaalsContact CG-OG1 3.29Å; D895-T898 WeakPolarHBondContact OD1-CB 3.41Å; D895-T898 PolarHBondContact OD1-N 3.5Å; D895-T898 PolarHBondContact OD1-OG1 2.86Å; D895-G899 WeakPolarHBondContact O-CA 3.42Å; D895-G899 PolarHBondContact O-N 2.91Å; D895-L900 PolarHBondContact N-O 3.46Å
896P76.2Confident64.4Low49 Ų4967.7 Ų67.732%0.31840%0.397SS..THydrogen-bonded Turntrans-75.7-12.5-168.532.7-38.6000113.2G862 C872 Y877 G878G862-P896 VanDerWaalsContact CA-O 3.31Å; G862-P896 WeakPolarHBondContact CA-O 3.13Å; G862-P896 PolarHBondContact N-O 2.75Å; C872-P896 HydrophobicContact CB-CB 3.71Å; Y877-P896 CarbonylContact C-O 3.54Å; Y877-P896 VanDerWaalsContact CA-O 3.26Å; Y877-P896 WeakPolarHBondContact CA-O 3.07Å; Y877-P896 WeakPolarHBondContact CB-O 3.02Å; G878-P896 PolarHBondContact N-O 2.83Å
897V77.4Confident63.3Low79 Ų7967 Ų6748%0.47940%0.396SS..THydrogen-bonded Turntrans-90.7-45.4177-173.90000110.8A861 D895A861-V897 HydrophobicContact CB-CB 4.5Å; A861-V897 HydrophobicContact CB-CG1 3.93Å; A861-V897 WeakPolarHBondContact CB-O 3.37Å; D895-V897 PolarHBondContact O-N 3.47Å; D895-V897 WeakPolarHBondContact OD1-CA 3.11Å; D895-V897 WeakPolarHBondContact OD1-CB 3.45Å; D895-V897 PolarHBondContact OD1-N 2.83Å
898T75.2Confident62.5Low66 Ų6670.9 Ų70.941%0.40542%0.419SS..THydrogen-bonded Turntrans-110.4-20.9-16561.80000114.7D895 L900 H910D895-T898 WeakPolarHBondContact CB-OG1 3.12Å; D895-T898 VanDerWaalsContact CG-OG1 3.29Å; D895-T898 WeakPolarHBondContact OD1-CB 3.41Å; D895-T898 PolarHBondContact OD1-N 3.5Å; D895-T898 PolarHBondContact OD1-OG1 2.86Å; T898-L900 VanDerWaalsContact C-N 3.34Å; T898-H910 PolarHBondContact O-CE1 3.38Å
899G73.2Confident62.4Low2 Ų269.9 Ų69.92%0.02141%0.409CS..  trans75.718.6-176.900000115.1Y877 D895 H910Y877-G899 VanDerWaalsContact CD2-N 3.33Å; D895-G899 WeakPolarHBondContact O-CA 3.42Å; D895-G899 PolarHBondContact O-N 2.91Å; G899-H910 PolarHBondContact O-ND1 2.8Å
900L72.5Confident62.7Low53 Ų5366.6 Ų66.628%0.27739%0.39SS..  trans-80123173.8-72166.9000110.5C894 D895 T898 V908C894-L900 CarbonylContact C-O 3.56Å; C894-L900 VanDerWaalsContact CA-O 3.24Å; C894-L900 WeakPolarHBondContact CA-O 3.37Å; C894-L900 VanDerWaalsContact CB-O 3.31Å; C894-L900 WeakPolarHBondContact CB-O 3.01Å; D895-L900 PolarHBondContact N-O 3.46Å; T898-L900 VanDerWaalsContact C-N 3.34Å; L900-V908 HydrophobicContact CB-CG1 3.7Å; L900-V908 HydrophobicContact CD1-CG1 3.99Å; L900-V908 HydrophobicContact CD2-CG1 4.27Å; L900-V908 HydrophobicContact CG-CG1 4.21Å
901C71.3Confident63.2Low0 Ų071.3 Ų71.30%041%0.405CS..EExtended strand (participates in β ladder)trans-77139175.8-60.70000110.7C887 C903 G909C887-C901 WeakPolarHBondContact CA-SG 3.27Å; C887-C901 HydrophobicContact CB-CB 3.64Å; C887-C901 WeakPolarHBondContact CB-SG 3.3Å; C887-C901 WeakPolarHBondContact SG-CB 2.98Å; C887-C901 CovalentContact SG-SG 2.03Å; C887-C901 PolarHBondContact SG-SG 2.94Å; C901-C903 PolarHBondContact O-N 2.96Å; C901-G909 WeakPolarHBondContact CA-O 2.93Å; C901-G909 WeakPolarHBondContact CB-O 3.48Å; C901-G909 PolarHBondContact N-O 3.37Å; C901-G909 PolarHBondContact O-N 3.32Å
902Q62.9Low63.6Low132 Ų13265.7 Ų65.762%0.61738%0.377SS*.EExtended strand (participates in β ladder)trans-83.3100.9164.3-72.4178.8-23.700108I892I892-Q902 HydrophobicContact CG2-CB 4.05Å
903C61.7Low63Low16 Ų1665.5 Ų65.511%0.10838%0.384CS..  trans-82.9158.9177.1-54.50000110.5C901 G906 I907 C912C901-C903 PolarHBondContact O-N 2.96Å; C903-G906 PolarHBondContact O-N 3.34Å; C903-I907 HydrophobicContact CB-CB 4.33Å; C903-I907 VanDerWaalsContact CB-O 3.32Å; C903-I907 WeakPolarHBondContact CB-O 3.25Å; C903-I907 PolarHBondContact N-O 3.18Å; C903-C912 WeakPolarHBondContact CA-SG 3.43Å; C903-C912 HydrophobicContact CB-CB 3.85Å; C903-C912 WeakPolarHBondContact CB-SG 3.49Å; C903-C912 WeakPolarHBondContact SG-CA 3.42Å; C903-C912 WeakPolarHBondContact SG-CB 3.48Å; C903-C912 CovalentContact SG-SG 2.04Å; C903-C912 PolarHBondContact SG-SG 2.98Å
904P51.6Low61.8Low70 Ų7074.2 Ų74.246%0.45543%0.425SS..G310 helixtrans-51.3148.3169.4-2635.5000111.7G906P904-G906 VanDerWaalsContact C-N 3.33Å
905N52.6Low59.8Low159 Ų15982.2 Ų82.285%0.8546%0.46SS*.G310 helixtrans69.319.6-174.5-46.5-21.1000115.4I907N905-I907 VanDerWaalsContact C-N 3.27Å; N905-I907 PolarHBondContact O-N 2.78Å
906G45.3Very low57.7Low68 Ų6886.4 Ų86.470%0.70148%0.483SS*.G310 helixtrans78.85.7171.900000115C903 P904C903-G906 PolarHBondContact O-N 3.34Å; P904-G906 VanDerWaalsContact C-N 3.33Å
907I47.9Very low55.6Low108 Ų10892.2 Ų92.255%0.55451%0.511SS*.  trans-74.3133.7179.8-55.4170.8000109.3C903 N905C903-I907 HydrophobicContact CB-CB 4.33Å; C903-I907 VanDerWaalsContact CB-O 3.32Å; C903-I907 WeakPolarHBondContact CB-O 3.25Å; C903-I907 PolarHBondContact N-O 3.18Å; N905-I907 VanDerWaalsContact C-N 3.27Å; N905-I907 PolarHBondContact O-N 2.78Å
908V51.8Low53.5Low91 Ų9194.8 Ų94.855%0.55252%0.521SS*.EExtended strand (participates in β ladder)trans-112.5121.3-176.2-176.10000109.5L900L900-V908 HydrophobicContact CB-CG1 3.7Å; L900-V908 HydrophobicContact CD1-CG1 3.99Å; L900-V908 HydrophobicContact CD2-CG1 4.27Å; L900-V908 HydrophobicContact CG-CG1 4.21Å
909G56.4Low51.4Low21 Ų21101.6 Ų101.622%0.21654%0.541CS..EExtended strand (participates in β ladder)trans-172.9165.6-177.600000114.4C901 K911C901-G909 WeakPolarHBondContact CA-O 2.93Å; C901-G909 WeakPolarHBondContact CB-O 3.48Å; C901-G909 PolarHBondContact N-O 3.37Å; C901-G909 PolarHBondContact O-N 3.32Å; G909-K911 VanDerWaalsContact C-N 3.35Å; G909-K911 PolarHBondContact O-N 2.96Å
910H61.7Low49.5Very low111 Ų111106.7 Ų106.751%0.51458%0.576SS.*SBendtrans-76.3-14.3-172.5-67.9-58.9000115.4T898 G899T898-H910 PolarHBondContact O-CE1 3.38Å; G899-H910 PolarHBondContact O-ND1 2.8Å
911K58.8Low47.8Very low137 Ų137109 Ų10960%0.59659%0.594SS**  trans-148.9119.6176.2-67.4-179.9179.8172.80110.7Q886 G909 S913Q886-K911 HydrophobicContact CB-CG 4.32Å; G909-K911 VanDerWaalsContact C-N 3.35Å; G909-K911 PolarHBondContact O-N 2.96Å; K911-S913 PolarHBondContact O-N 3.25Å
912C59.6Low46.2Very low34 Ų34115.4 Ų115.423%0.2363%0.628CS.*SBendtrans-80.558.4176.9-52.60000111.7C887 C903C887-C912 WeakPolarHBondContact O-CB 3.44Å; C903-C912 WeakPolarHBondContact CA-SG 3.43Å; C903-C912 HydrophobicContact CB-CB 3.85Å; C903-C912 WeakPolarHBondContact CB-SG 3.49Å; C903-C912 WeakPolarHBondContact SG-CA 3.42Å; C903-C912 WeakPolarHBondContact SG-CB 3.48Å; C903-C912 CovalentContact SG-SG 2.04Å; C903-C912 PolarHBondContact SG-SG 2.98Å
913S45.4Very low44.9Very low87 Ų87117 Ų11761%0.60864%0.641SS**  trans-152.229-168.4-55.10000116K911K911-S913 PolarHBondContact O-N 3.25Å
914M40.3Very low44.2Very low193 Ų193123.4 Ų123.495%0.95167%0.669SS**  trans-132.4125.6164.4-74.6-176.2165.400109.2
915Q36.5Very low43.8Very low185 Ų185124.7 Ų124.786%0.86468%0.678SS**  trans-106.1130.7174.2-65.6168.5-91.500107.6
916N32.9Very low43.5Very low154 Ų154121.6 Ų121.682%0.82467%0.668SS**  trans-172.8-22.4150.3-100.1-6.5000113.4I918N916-I918 PolarHBondContact O-N 3.37Å
917D31.8Very low43.7Very low170 Ų170118.6 Ų118.691%0.90964%0.637SS**  trans-75.9105.9178.1-57.3-46.7000111.2
918I33.8Very low44.1Very low134 Ų134116.9 Ų116.969%0.68763%0.632SS**  trans-137114-174.9-70.8-177.7000109.9N916N916-I918 PolarHBondContact O-N 3.37Å
919Y31.5Very low44.5Very low209 Ų209117.7 Ų117.782%0.8264%0.64SS**  trans66.4116.7160.1-78.1-125.7000119.2P921Y919-P921 HydrophobicContact CD1-CG 4.14Å
920S32.3Very low44.9Very low109 Ų109117.9 Ų117.976%0.76264%0.641SS**  -131.2150.9102.7-157.40000108.8
921P36.9Very low45.6Very low101 Ų101116.8 Ų116.866%0.65663%0.633SS**  trans-94.60.3-160.8-8.128.7000117.1Y919Y919-P921 HydrophobicContact CD1-CG 4.14Å
922D37.8Very low46.5Very low134 Ų134114 Ų11472%0.71762%0.618SS**  trans-105.7158.8-166.5-57.1-70.9000113.4
923D35.9Very low46.8Very low166 Ų166113 Ų11389%0.88861%0.614SS**  trans75.286.9175.7-62.2-34.7000119.9
924E47.3Very low47.6Very low150 Ų150119.4 Ų119.470%0.70163%0.631SS**  trans-30168168.3-94.4-157138.500122.7
925P42.2Very low48.6Very low98 Ų98114.6 Ų114.664%0.63662%0.617SS**PPolyproline II helixtrans-76.4129.2-161.330.1-37.1000115.7C927P925-C927 PolarHBondContact O-N 3.34Å
926S46.4Very low49.9Very low93 Ų93107.6 Ų107.665%0.6559%0.588SS**PPolyproline II helixtrans-75.2117.7176.2-75.40000113.7
927C51Low51.7Low5 Ų5104.1 Ų104.13%0.03457%0.572CS.*PPolyproline II helixtrans-58.5152.3166.5-69.20000112.9P925 R931 G933 C936 K950P925-C927 PolarHBondContact O-N 3.34Å; C927-R931 HydrophobicContact CB-CB 4.39Å; C927-R931 WeakPolarHBondContact CB-O 3.46Å; C927-G933 PolarHBondContact SG-O 2.04Å; C927-C936 WeakPolarHBondContact CA-SG 3.25Å; C927-C936 HydrophobicContact CB-CB 3.7Å; C927-C936 WeakPolarHBondContact CB-SG 3.45Å; C927-C936 WeakPolarHBondContact SG-CA 3.28Å; C927-C936 WeakPolarHBondContact SG-CB 3.46Å; C927-C936 CovalentContact SG-SG 2.04Å; C927-C936 PolarHBondContact SG-SG 3.39Å; C927-K950 HydrophobicContact CB-CD 4.36Å; C927-K950 WeakPolarHBondContact O-CD 3.23Å; C927-K950 PolarHBondContact O-NZ 3.29Å
928P56.1Low53.2Low72 Ų72100.5 Ų100.547%0.46855%0.55SS..PPolyproline II helixtrans-62.7158.1176.127.2-35.4000111.8G930 R931P928-G930 PolarHBondContact O-N 2.78Å; P928-R931 HydrophobicContact CG-CB 4.41Å; P928-R931 PolarHBondContact O-N 3.32Å; P928-R931 VanDerWaalsContact O-N 3.12Å
929P59.3Low55.1Low109 Ų10999.3 Ų99.371%0.70854%0.544SS*.THydrogen-bonded Turntrans-52.7136.1-174.3-29.236.3000114.4E947P929-E947 WeakPolarHBondContact CA-OE1 3.49Å
930G65Low57.3Low24 Ų2490.6 Ų90.625%0.24751%0.513CS..THydrogen-bonded Turntrans77.610.7-176.500000115.4P928 I939 C940P928-G930 PolarHBondContact O-N 2.78Å; G930-I939 WeakPolarHBondContact O-CA 3.43Å; G930-C940 PolarHBondContact O-N 2.84Å
931R75.9Confident59.7Low89 Ų8990.2 Ų90.234%0.33650%0.502SS..EExtended strand (participates in β ladder)trans-131.9151.9-179.9-68.2178.5158-74.4-13.8113.8C927 P928 C936 T937 E938C927-R931 HydrophobicContact CB-CB 4.39Å; C927-R931 WeakPolarHBondContact CB-O 3.46Å; P928-R931 HydrophobicContact CG-CB 4.41Å; P928-R931 PolarHBondContact O-N 3.32Å; P928-R931 VanDerWaalsContact O-N 3.12Å; R931-C936 WeakPolarHBondContact CD-O 2.99Å; R931-C936 PolarHBondContact NH1-O 3.22Å; R931-T937 VanDerWaalsContact NH1-C 3.29Å; R931-T937 PolarHBondContact NH1-O 2.55Å; R931-E938 CarbonylContact C-O 3.58Å; R931-E938 WeakPolarHBondContact CA-O 3.44Å; R931-E938 WeakPolarHBondContact CB-O 3.23Å
932W79.2Confident61.7Low77 Ų7787 Ų8729%0.29248%0.482SS..EExtended strand (participates in β ladder)trans-147.8175.5-177.769.6-81000113.8C936 E938 I939 C948 K950 G953W932-C936 WeakPolarHBondContact O-CA 3.47Å; W932-E938 HydrophobicContact CD2-CB 3.88Å; W932-E938 HydrophobicContact CD2-CG 4.48Å; W932-E938 HydrophobicContact CG-CB 4.02Å; W932-E938 HydrophobicContact CZ2-CB 4.08Å; W932-E938 HydrophobicContact CZ2-CG 4.34Å; W932-E938 PolarHBondContact N-O 3.26Å; W932-E938 PolarHBondContact O-N 3.44Å; W932-I939 PolarHBondContact NE1-O 3.44Å; W932-C948 VanDerWaalsContact CD1-SG 3.52Å; W932-K950 CarbonylContact C-O 3.5Å; W932-K950 VanDerWaalsContact CA-O 3.32Å; W932-K950 WeakPolarHBondContact CA-O 3.27Å; W932-K950 WeakPolarHBondContact CB-O 3.4Å; W932-G953 VanDerWaalsContact CE3-CA 3.5Å; W932-G953 VanDerWaalsContact CE3-N 3.28Å
933G66.1Low63.4Low14 Ų1487.1 Ų87.114%0.14448%0.478CS..SBendtrans87.2166.7175.600000113.9C927 S935 C936 K950C927-G933 PolarHBondContact SG-O 2.04Å; G933-S935 PolarHBondContact O-N 2.99Å; G933-C936 PolarHBondContact O-N 3.02Å; G933-K950 PolarHBondContact N-O 2.86Å
934K61Low64.9Low222 Ų22281 Ų8197%0.96545%0.446SS*.THydrogen-bonded Turntrans-57.8-5.8-171.1-69.4-171.4172.6-172.50116.8
935S61Low65.8Low92 Ų9274.8 Ų74.864%0.64342%0.418SS*.THydrogen-bonded Turntrans-135.78177.4-55.20000112.7G933 T937G933-S935 PolarHBondContact O-N 2.99Å; S935-T937 PolarHBondContact O-N 2.89Å; S935-T937 VanDerWaalsContact O-N 3.09Å
936C64.7Low66.9Low38 Ų3875.9 Ų75.926%0.25742%0.423SS..SBendtrans5325.1-174.6-50.80000114.5C927 R931 W932 G933C927-C936 WeakPolarHBondContact CA-SG 3.25Å; C927-C936 HydrophobicContact CB-CB 3.7Å; C927-C936 WeakPolarHBondContact CB-SG 3.45Å; C927-C936 WeakPolarHBondContact SG-CA 3.28Å; C927-C936 WeakPolarHBondContact SG-CB 3.46Å; C927-C936 CovalentContact SG-SG 2.04Å; C927-C936 PolarHBondContact SG-SG 3.39Å; R931-C936 WeakPolarHBondContact CD-O 2.99Å; R931-C936 PolarHBondContact NH1-O 3.22Å; W932-C936 WeakPolarHBondContact O-CA 3.47Å; G933-C936 PolarHBondContact O-N 3.02Å
937T69.9Low68Low81 Ų8174.1 Ų74.150%0.49741%0.405SS..  trans-78-35.6-179.745.60000112.3R931 S935R931-T937 VanDerWaalsContact NH1-C 3.29Å; R931-T937 PolarHBondContact NH1-O 2.55Å; S935-T937 PolarHBondContact O-N 2.89Å; S935-T937 VanDerWaalsContact O-N 3.09Å
938E63.6Low69.4Low94 Ų9473.9 Ų73.944%0.43940%0.403SS..EExtended strand (participates in β ladder)trans-77.2150.2-177.3-49.5-42.2116.600111R931 W932R931-E938 CarbonylContact C-O 3.58Å; R931-E938 WeakPolarHBondContact CA-O 3.44Å; R931-E938 WeakPolarHBondContact CB-O 3.23Å; W932-E938 HydrophobicContact CD2-CB 3.88Å; W932-E938 HydrophobicContact CD2-CG 4.48Å; W932-E938 HydrophobicContact CG-CB 4.02Å; W932-E938 HydrophobicContact CZ2-CB 4.08Å; W932-E938 HydrophobicContact CZ2-CG 4.34Å; W932-E938 PolarHBondContact N-O 3.26Å; W932-E938 PolarHBondContact O-N 3.44Å
939I74.8Confident70.2Confident109 Ų10975 Ų7556%0.55940%0.401SS*.EExtended strand (participates in β ladder)trans-106.7145.6-179.7-59175.9000108.1G930 W932G930-I939 WeakPolarHBondContact O-CA 3.43Å; W932-I939 PolarHBondContact NE1-O 3.44Å
940C77.2Confident70.4Confident26 Ų2671.7 Ų71.718%0.17638%0.376CS..  trans-66.4133.6174.7-62.40000111.3G930 C948G930-C940 PolarHBondContact O-N 2.84Å; C940-C948 WeakPolarHBondContact CA-SG 3.45Å; C940-C948 HydrophobicContact CB-CB 3.68Å; C940-C948 WeakPolarHBondContact CB-SG 3.44Å; C940-C948 WeakPolarHBondContact SG-CB 3.47Å; C940-C948 PolarHBondContact SG-N 3.43Å; C940-C948 CovalentContact SG-SG 2.04Å; C940-C948 PolarHBondContact SG-SG 3.24Å
941D82.7Confident70.5Confident100 Ų10074.4 Ų74.454%0.53539%0.385SS..  trans-118.279.9-176178.16.4000109C955 K965D941-C955 PolarHBondContact O-SG 2.03Å; D941-C955 VanDerWaalsContact O-SG 3.39Å; D941-K965 WeakPolarHBondContact O-CG 3.22Å; D941-K965 WeakPolarHBondContact OD1-CE 3.32Å; D941-K965 IonicContact OD1-NZ 3.51Å; D941-K965 PolarHBondContact OD1-NZ 3.49Å; D941-K965 VanDerWaalsContact OD2-CE 3.23Å; D941-K965 WeakPolarHBondContact OD2-CE 3.27Å; D941-K965 IonicContact OD2-NZ 3.98Å; D941-K965 PolarHBondContact OD2-NZ 3.44Å
942C79Confident70.5Confident33 Ų3374 Ų7422%0.22339%0.392CS..  trans-136.7139.8-168.7-43.80000111.5C955 K965C942-C955 VanDerWaalsContact CA-SG 3.53Å; C942-C955 HydrophobicContact CB-CB 3.7Å; C942-C955 WeakPolarHBondContact CB-SG 3.42Å; C942-C955 WeakPolarHBondContact SG-CB 3.2Å; C942-C955 CovalentContact SG-SG 2.02Å; C942-C955 PolarHBondContact SG-SG 3.43Å; C942-K965 WeakPolarHBondContact CA-O 3.12Å
943E72.3Confident70.2Confident137 Ų13771 Ų7164%0.6439%0.385SS*.SBendtrans-92.1-51.1176.5-67.3-163.2158.400112.7K965E943-K965 PolarHBondContact N-O 3.2Å
944N68.3Low70.8Confident39 Ų3974.4 Ų74.421%0.20940%0.4CS..SBendtrans-113.760.3-177-59.3-85.2000111.2F958 F961 C966N944-F958 HydrophobicContact CB-CD2 4.02Å; N944-F958 VanDerWaalsContact O-CD2 3.27Å; N944-F958 WeakPolarHBondContact O-CD2 3.34Å; N944-F958 PolarHBondContact O-N 2.95Å; N944-F961 HydrophobicContact CB-CB 4.24Å; N944-F961 HydrophobicContact CB-CD1 3.61Å; N944-F961 HydrophobicContact CB-CD2 3.79Å; N944-F961 HydrophobicContact CB-CE1 3.78Å; N944-F961 HydrophobicContact CB-CE2 3.96Å; N944-F961 HydrophobicContact CB-CG 3.61Å; N944-F961 HydrophobicContact CB-CZ 3.93Å; N944-F961 VanDerWaalsContact CG-CZ 3.49Å; N944-F961 WeakPolarHBondContact ND2-CE1 3.44Å; N944-F961 WeakPolarHBondContact OD1-CZ 3.05Å; N944-C966 HydrophobicContact CB-CB 4.02Å; N944-C966 WeakPolarHBondContact CB-O 3.09Å; N944-C966 PolarHBondContact ND2-O 2.84Å; N944-C966 VanDerWaalsContact O-CB 3.27Å; N944-C966 WeakPolarHBondContact O-CB 3.48Å
945S67Low71.6Confident18 Ų1864.3 Ų64.313%0.12636%0.357CS..EExtended strand (participates in β ladder)trans-158151.2-177.3171.50000111.3E947 I956S945-E947 PolarHBondContact OG-N 3.32Å; S945-E947 PolarHBondContact OG-O 3.22Å; S945-I956 WeakPolarHBondContact CB-O 3.4Å; S945-I956 PolarHBondContact OG-N 3.15Å; S945-I956 PolarHBondContact OG-O 3.2Å
946V64.3Low72.3Confident121 Ų12164 Ų6473%0.73335%0.348SS*.EExtended strand (participates in β ladder)trans-88.5-29.8172.3-165.40000112.1F958V946-F958 HydrophobicContact CG2-CD1 4.31Å; V946-F958 HydrophobicContact CG2-CE1 3.31Å; V946-F958 HydrophobicContact CG2-CZ 3.62Å
947E70.5Confident72.9Confident57 Ų5762.6 Ų62.627%0.26634%0.338SS..EExtended strand (participates in β ladder)trans-156.9146.6-164.7-171.5158.3-136.200111.9P929 S945 K950 I956P929-E947 WeakPolarHBondContact CA-OE1 3.49Å; S945-E947 PolarHBondContact OG-N 3.32Å; S945-E947 PolarHBondContact OG-O 3.22Å; E947-K950 IonicContact OE1-NZ 2.65Å; E947-K950 PolarHBondContact OE1-NZ 2.87Å; E947-K950 IonicContact OE2-NZ 2.73Å; E947-I956 VanDerWaalsContact O-CB 3.31Å; E947-I956 WeakPolarHBondContact O-CB 3.41Å; E947-I956 PolarHBondContact O-N 3.17Å
948C79.7Confident73.1Confident0 Ų062.7 Ų62.70%033%0.331CS..EExtended strand (participates in β ladder)trans-109.8153.9176.4700000112.1W932 C940 K950 G953 L954W932-C948 VanDerWaalsContact CD1-SG 3.52Å; C940-C948 WeakPolarHBondContact CA-SG 3.45Å; C940-C948 HydrophobicContact CB-CB 3.68Å; C940-C948 WeakPolarHBondContact CB-SG 3.44Å; C940-C948 WeakPolarHBondContact SG-CB 3.47Å; C940-C948 PolarHBondContact SG-N 3.43Å; C940-C948 CovalentContact SG-SG 2.04Å; C940-C948 PolarHBondContact SG-SG 3.24Å; C948-K950 PolarHBondContact O-N 3.38Å; C948-G953 WeakPolarHBondContact CB-O 3.42Å; C948-L954 CarbonylContact C-O 3.58Å; C948-L954 WeakPolarHBondContact CA-O 3.45Å
949H72.1Confident73.4Confident94 Ų9460.8 Ų60.844%0.43533%0.327SS..  trans-61.3115.9-177.9-177.8-100.6000111N951 T952 G953 L954H949-N951 PolarHBondContact O-N 2.87Å; H949-T952 PolarHBondContact ND1-OG1 3.01Å; H949-T952 PolarHBondContact O-N 3.12Å; H949-G953 PolarHBondContact O-N 3.1Å; H949-L954 HydrophobicContact CB-CB 4.39Å; H949-L954 WeakPolarHBondContact CB-O 3.05Å; H949-L954 PolarHBondContact N-O 3.29Å
950K64.5Low73.2Confident40 Ų4055.6 Ų55.617%0.17430%0.301CS..THydrogen-bonded Turntrans-47.9-36.3-165.9-46.8-65.1-172166.90114C927 W932 G933 E947 C948C927-K950 HydrophobicContact CB-CD 4.36Å; C927-K950 WeakPolarHBondContact O-CD 3.23Å; C927-K950 PolarHBondContact O-NZ 3.29Å; W932-K950 CarbonylContact C-O 3.5Å; W932-K950 VanDerWaalsContact CA-O 3.32Å; W932-K950 WeakPolarHBondContact CA-O 3.27Å; W932-K950 WeakPolarHBondContact CB-O 3.4Å; G933-K950 PolarHBondContact N-O 2.86Å; E947-K950 IonicContact OE1-NZ 2.65Å; E947-K950 PolarHBondContact OE1-NZ 2.87Å; E947-K950 IonicContact OE2-NZ 2.73Å; C948-K950 PolarHBondContact O-N 3.38Å
951N66.5Low73.3Confident82 Ų8254.8 Ų54.844%0.43929%0.294SS..THydrogen-bonded Turntrans-96.6-15.3-173.6-68.55.8000114.4H949H949-N951 PolarHBondContact O-N 2.87Å
952T75.1Confident73Confident79 Ų7953.5 Ų53.549%0.48529%0.287SS..THydrogen-bonded Turntrans-129.8-12.1-172.362.70000115.2H949 L954H949-T952 PolarHBondContact ND1-OG1 3.01Å; H949-T952 PolarHBondContact O-N 3.12Å; T952-L954 PolarHBondContact O-N 3.16Å
953G73Confident72.9Confident14 Ų1452.8 Ų52.814%0.14429%0.285CS..  trans75.4-0.3-17800000114.9W932 C948 H949 C955W932-G953 VanDerWaalsContact CE3-CA 3.5Å; W932-G953 VanDerWaalsContact CE3-N 3.28Å; C948-G953 WeakPolarHBondContact CB-O 3.42Å; H949-G953 PolarHBondContact O-N 3.1Å; G953-C955 PolarHBondContact O-N 2.04Å
954L78.6Confident73.2Confident86 Ų8652.1 Ų52.145%0.4529%0.286SS..  trans-69.1124.9179.6-169.671.5000110.5C948 H949 T952 N964C948-L954 CarbonylContact C-O 3.58Å; C948-L954 WeakPolarHBondContact CA-O 3.45Å; H949-L954 HydrophobicContact CB-CB 4.39Å; H949-L954 WeakPolarHBondContact CB-O 3.05Å; H949-L954 PolarHBondContact N-O 3.29Å; T952-L954 PolarHBondContact O-N 3.16Å; L954-N964 HydrophobicContact CD1-CB 3.95Å; L954-N964 WeakPolarHBondContact CD1-OD1 3Å
955C78.8Confident73.7Confident11 Ų1154.3 Ų54.37%0.07429%0.293CS..EExtended strand (participates in β ladder)trans-68.6138.6-174.8-610000112.8D941 C942 G953 N964 C966D941-C955 PolarHBondContact O-SG 2.03Å; D941-C955 VanDerWaalsContact O-SG 3.39Å; C942-C955 VanDerWaalsContact CA-SG 3.53Å; C942-C955 HydrophobicContact CB-CB 3.7Å; C942-C955 WeakPolarHBondContact CB-SG 3.42Å; C942-C955 WeakPolarHBondContact SG-CB 3.2Å; C942-C955 CovalentContact SG-SG 2.02Å; C942-C955 PolarHBondContact SG-SG 3.43Å; G953-C955 PolarHBondContact O-N 2.04Å; C955-N964 WeakPolarHBondContact CB-O 3.12Å; C955-N964 PolarHBondContact N-O 3.3Å; C955-N964 PolarHBondContact SG-O 3.3Å; C955-N964 VanDerWaalsContact SG-O 3.32Å; C955-C966 WeakPolarHBondContact CB-SG 3.05Å
956I74.9Confident74.4Confident86 Ų8653.4 Ų53.444%0.44129%0.287SS..EExtended strand (participates in β ladder)trans-91.9103.3174.1-56.3170.9000107.2S945 E947S945-I956 WeakPolarHBondContact CB-O 3.4Å; S945-I956 PolarHBondContact OG-N 3.15Å; S945-I956 PolarHBondContact OG-O 3.2Å; E947-I956 VanDerWaalsContact O-CB 3.31Å; E947-I956 WeakPolarHBondContact O-CB 3.41Å; E947-I956 PolarHBondContact O-N 3.17Å
957C77.3Confident75.1Confident7 Ų751.4 Ų51.45%0.04727%0.272CS..EExtended strand (participates in β ladder)trans-73.1145.1-167.1-58.10000113.7F961 C966C957-F961 HydrophobicContact CB-CB 3.96Å; C957-F961 VanDerWaalsContact CB-O 3.28Å; C957-F961 WeakPolarHBondContact CB-O 3.04Å; C957-C966 WeakPolarHBondContact CA-SG 3.04Å; C957-C966 HydrophobicContact CB-CB 3.7Å; C957-C966 WeakPolarHBondContact CB-SG 3.32Å; C957-C966 PolarHBondContact N-SG 2.99Å; C957-C966 WeakPolarHBondContact SG-CA 3.28Å; C957-C966 WeakPolarHBondContact SG-CB 3.34Å; C957-C966 CovalentContact SG-SG 2.03Å; C957-C966 PolarHBondContact SG-SG 2.86Å
958F74.7Confident75.4Confident83 Ų8353.6 Ų53.636%0.36428%0.283SS..PPolyproline II helixtrans-56152164-72.3-51.8000110.2N944 V946 G960 F961N944-F958 HydrophobicContact CB-CD2 4.02Å; N944-F958 VanDerWaalsContact O-CD2 3.27Å; N944-F958 WeakPolarHBondContact O-CD2 3.34Å; N944-F958 PolarHBondContact O-N 2.95Å; V946-F958 HydrophobicContact CG2-CD1 4.31Å; V946-F958 HydrophobicContact CG2-CE1 3.31Å; V946-F958 HydrophobicContact CG2-CZ 3.62Å; F958-G960 PolarHBondContact O-N 3.4Å; F958-F961 HydrophobicContact CB-CD2 4.14Å; F958-F961 PolarHBondContact O-N 2.77Å; F958-F961 VanDerWaalsContact O-N 3.11Å
959P69.6Low75.3Confident55 Ų5560.1 Ų60.136%0.35731%0.311SS..THydrogen-bonded Turntrans-46.7129.5169.4-28.435.7000111.3G976 L977 R993P959-G976 WeakPolarHBondContact CA-O 3.3Å; P959-L977 HydrophobicContact CG-CD1 4.13Å; P959-R993 VanDerWaalsContact CB-O 3.3Å; P959-R993 WeakPolarHBondContact CB-O 3.43Å; P959-R993 WeakPolarHBondContact O-CA 3.27Å; P959-R993 WeakPolarHBondContact O-CB 3.26Å; P959-R993 WeakPolarHBondContact O-CG 3.35Å
960G70.3Confident75.6Confident0 Ų056.3 Ų56.30%030%0.295CS..THydrogen-bonded Turntrans90.76.6-177.600000117.5F958 K969 C970 G976 H992F958-G960 PolarHBondContact O-N 3.4Å; G960-K969 WeakPolarHBondContact O-CA 3.48Å; G960-C970 WeakPolarHBondContact CA-SG 3.48Å; G960-C970 PolarHBondContact O-N 2.81Å; G960-C970 VanDerWaalsContact O-N 3.08Å; G960-G976 PolarHBondContact N-O 3.19Å; G960-H992 WeakPolarHBondContact CA-O 3.22Å; G960-H992 PolarHBondContact N-O 2.85Å; G960-H992 PolarHBondContact O-ND1 3.12Å
961F80.2Confident76.4Confident9 Ų960.6 Ų60.64%0.03932%0.316CS..EExtended strand (participates in β ladder)trans-127.6153.3177.6-65.2-94.8000113.4N944 C957 F958 C966 Q968 K969 H992 R993N944-F961 HydrophobicContact CB-CB 4.24Å; N944-F961 HydrophobicContact CB-CD1 3.61Å; N944-F961 HydrophobicContact CB-CD2 3.79Å; N944-F961 HydrophobicContact CB-CE1 3.78Å; N944-F961 HydrophobicContact CB-CE2 3.96Å; N944-F961 HydrophobicContact CB-CG 3.61Å; N944-F961 HydrophobicContact CB-CZ 3.93Å; N944-F961 VanDerWaalsContact CG-CZ 3.49Å; N944-F961 WeakPolarHBondContact ND2-CE1 3.44Å; N944-F961 WeakPolarHBondContact OD1-CZ 3.05Å; C957-F961 HydrophobicContact CB-CB 3.96Å; C957-F961 VanDerWaalsContact CB-O 3.28Å; C957-F961 WeakPolarHBondContact CB-O 3.04Å; F958-F961 HydrophobicContact CB-CD2 4.14Å; F958-F961 PolarHBondContact O-N 2.77Å; F958-F961 VanDerWaalsContact O-N 3.11Å; F961-C966 HydrophobicContact CB-CB 4.12Å; F961-Q968 CarbonylContact C-O 3.29Å; F961-Q968 VanDerWaalsContact CA-O 3.24Å; F961-Q968 WeakPolarHBondContact CA-O 3.33Å; F961-Q968 WeakPolarHBondContact CD1-O 3.19Å; F961-K969 HydrophobicContact CE1-CG 4.3Å; F961-H992 AromaticContact CE2-CE1 3.7Å; F961-H992 AromaticContact CZ-CE1 3.57Å; F961-R993 HydrophobicContact CE2-CG 4.41Å
962I77.1Confident76.6Confident72 Ų7267.3 Ų67.337%0.36934%0.341SS..EExtended strand (participates in β ladder)trans-146.8178.8-179.9-161.5163.7000108.9C966 D967 Q968I962-C966 CarbonylContact O-C 3.58Å; I962-C966 WeakPolarHBondContact O-CA 3.34Å; I962-D967 PolarHBondContact O-N 2.85Å; I962-Q968 HydrophobicContact CG2-CB 3.74Å; I962-Q968 PolarHBondContact N-O 3.08Å; I962-Q968 WeakPolarHBondContact O-CB 3.2Å; I962-Q968 PolarHBondContact O-N 3.39Å
963G76.5Confident76.5Confident19 Ų1965 Ų6520%0.19633%0.332CS..SBendtrans88.8157.2-174.100000112.2K965 C966G963-K965 PolarHBondContact O-N 2.85Å; G963-K965 VanDerWaalsContact O-N 3.13Å; G963-C966 PolarHBondContact O-N 3.42Å
964N77.6Confident76.8Confident122 Ų12267.8 Ų67.865%0.65234%0.341SS*.THydrogen-bonded Turntrans-65-22.4-168.1-67.6-7.4000113.7L954 C955L954-N964 HydrophobicContact CD1-CB 3.95Å; L954-N964 WeakPolarHBondContact CD1-OD1 3Å; C955-N964 WeakPolarHBondContact CB-O 3.12Å; C955-N964 PolarHBondContact N-O 3.3Å; C955-N964 PolarHBondContact SG-O 3.3Å; C955-N964 VanDerWaalsContact SG-O 3.32Å
965K79.6Confident77Confident85 Ų8566.7 Ų66.737%0.3733%0.331SS..THydrogen-bonded Turntrans-107.12.8174.6-63.8-161.6169.6-156.10113.6D941 C942 E943 G963 D967D941-K965 WeakPolarHBondContact O-CG 3.22Å; D941-K965 WeakPolarHBondContact OD1-CE 3.32Å; D941-K965 IonicContact OD1-NZ 3.51Å; D941-K965 PolarHBondContact OD1-NZ 3.49Å; D941-K965 VanDerWaalsContact OD2-CE 3.23Å; D941-K965 WeakPolarHBondContact OD2-CE 3.27Å; D941-K965 IonicContact OD2-NZ 3.98Å; D941-K965 PolarHBondContact OD2-NZ 3.44Å; C942-K965 WeakPolarHBondContact CA-O 3.12Å; E943-K965 PolarHBondContact N-O 3.2Å; G963-K965 PolarHBondContact O-N 2.85Å; G963-K965 VanDerWaalsContact O-N 3.13Å; K965-D967 HydrophobicContact CB-CB 4.22Å; K965-D967 PolarHBondContact N-OD1 2.86Å; K965-D967 VanDerWaalsContact N-OD1 3.1Å
966C80.8Confident76.4Confident0 Ų066.6 Ų66.60%033%0.332CS..SBendtrans59.839.1-165.6-46.50000111.9N944 C955 C957 F961 I962 G963N944-C966 HydrophobicContact CB-CB 4.02Å; N944-C966 WeakPolarHBondContact CB-O 3.09Å; N944-C966 PolarHBondContact ND2-O 2.84Å; N944-C966 VanDerWaalsContact O-CB 3.27Å; N944-C966 WeakPolarHBondContact O-CB 3.48Å; C955-C966 WeakPolarHBondContact CB-SG 3.05Å; C957-C966 WeakPolarHBondContact CA-SG 3.04Å; C957-C966 HydrophobicContact CB-CB 3.7Å; C957-C966 WeakPolarHBondContact CB-SG 3.32Å; C957-C966 PolarHBondContact N-SG 2.99Å; C957-C966 WeakPolarHBondContact SG-CA 3.28Å; C957-C966 WeakPolarHBondContact SG-CB 3.34Å; C957-C966 CovalentContact SG-SG 2.03Å; C957-C966 PolarHBondContact SG-SG 2.86Å; F961-C966 HydrophobicContact CB-CB 4.12Å; I962-C966 CarbonylContact O-C 3.58Å; I962-C966 WeakPolarHBondContact O-CA 3.34Å; G963-C966 PolarHBondContact O-N 3.42Å
967D79.2Confident76Confident78 Ų7867.1 Ų67.142%0.41734%0.335SS..  trans-83.9-18.4-179.950.2-65.6000113.1I962 K965I962-D967 PolarHBondContact O-N 2.85Å; K965-D967 HydrophobicContact CB-CB 4.22Å; K965-D967 PolarHBondContact N-OD1 2.86Å; K965-D967 VanDerWaalsContact N-OD1 3.1Å
968Q77.8Confident75.6Confident104 Ų10471.4 Ų71.449%0.48636%0.357SS..EExtended strand (participates in β ladder)trans-110.4139.9-174.7-66157.739.900110.3F961 I962F961-Q968 CarbonylContact C-O 3.29Å; F961-Q968 VanDerWaalsContact CA-O 3.24Å; F961-Q968 WeakPolarHBondContact CA-O 3.33Å; F961-Q968 WeakPolarHBondContact CD1-O 3.19Å; I962-Q968 HydrophobicContact CG2-CB 3.74Å; I962-Q968 PolarHBondContact N-O 3.08Å; I962-Q968 WeakPolarHBondContact O-CB 3.2Å; I962-Q968 PolarHBondContact O-N 3.39Å
969K77.1Confident75.7Confident137 Ų13768 Ų6860%0.59634%0.344SS*.EExtended strand (participates in β ladder)trans-76.3159.2167.7-62.5-171.8179.9-169.90110.1G960 F961G960-K969 WeakPolarHBondContact O-CA 3.48Å; F961-K969 HydrophobicContact CE1-CG 4.3Å
970C79.4Confident76.1Confident13 Ų1369.7 Ų69.79%0.08835%0.353CS..PPolyproline II helixtrans-56.8150.2169.1-63.90000112.7G960 K974 C979 H992G960-C970 WeakPolarHBondContact CA-SG 3.48Å; G960-C970 PolarHBondContact O-N 2.81Å; G960-C970 VanDerWaalsContact O-N 3.08Å; C970-K974 HydrophobicContact CB-CB 4.2Å; C970-K974 VanDerWaalsContact CB-O 3.22Å; C970-K974 WeakPolarHBondContact CB-O 3.4Å; C970-C979 WeakPolarHBondContact CA-SG 3.46Å; C970-C979 HydrophobicContact CB-CB 3.75Å; C970-C979 WeakPolarHBondContact CB-SG 3.4Å; C970-C979 VanDerWaalsContact SG-CA 3.52Å; C970-C979 WeakPolarHBondContact SG-CB 3.28Å; C970-C979 CovalentContact SG-SG 2.02Å; C970-C979 PolarHBondContact SG-SG 3.47Å; C970-H992 HydrophobicContact CB-CB 4.46Å
971E79.8Confident76Confident131 Ų13174.2 Ų74.261%0.61237%0.374SS*.PPolyproline II helixtrans-59.7150.4171.7-60176.7126.700110.9G973 K974E971-G973 PolarHBondContact O-N 3.36Å; E971-G973 VanDerWaalsContact O-N 3.16Å; E971-K974 HydrophobicContact CB-CD 4.38Å; E971-K974 PolarHBondContact O-N 3.24Å; E971-K974 IonicContact OE2-NZ 3.25Å; E971-K974 PolarHBondContact OE2-NZ 3.22Å
972K70.3Confident75.9Confident222 Ų22278.6 Ų78.697%0.96540%0.402SS*.THydrogen-bonded Turntrans-50.7123.6-179.6-74.7-163.6175.4-168.40110.8
973G74.2Confident75.7Confident30 Ų3076.2 Ų76.231%0.30939%0.391SS..THydrogen-bonded Turntrans91.31.9-179.900000115.7E971 T982 C983E971-G973 PolarHBondContact O-N 3.36Å; E971-G973 VanDerWaalsContact O-N 3.16Å; G973-T982 WeakPolarHBondContact O-CA 3.33Å; G973-C983 PolarHBondContact O-N 2.83Å
974K79.4Confident75.6Confident74 Ų7478.4 Ų78.432%0.32241%0.408SS..EExtended strand (participates in β ladder)trans-113.4148173.6-65.5176.9-176.7171.30112.4C970 E971 C979 E981C970-K974 HydrophobicContact CB-CB 4.2Å; C970-K974 VanDerWaalsContact CB-O 3.22Å; C970-K974 WeakPolarHBondContact CB-O 3.4Å; E971-K974 HydrophobicContact CB-CD 4.38Å; E971-K974 PolarHBondContact O-N 3.24Å; E971-K974 IonicContact OE2-NZ 3.25Å; E971-K974 PolarHBondContact OE2-NZ 3.22Å; K974-C979 HydrophobicContact CB-CB 4.18Å; K974-E981 CarbonylContact C-O 3.52Å; K974-E981 WeakPolarHBondContact CA-O 3.33Å
975Y82.6Confident75.5Confident63 Ų6374 Ų7425%0.24739%0.387CS..EExtended strand (participates in β ladder)trans-147-175.2179.875.2-84.9000112.9C979 E981 C983 H992 S994 G995Y975-C979 CarbonylContact O-C 3.44Å; Y975-C979 WeakPolarHBondContact O-CA 3.34Å; Y975-E981 HydrophobicContact CD1-CB 3.69Å; Y975-E981 HydrophobicContact CD2-CB 3.94Å; Y975-E981 HydrophobicContact CE1-CB 3.45Å; Y975-E981 VanDerWaalsContact CE1-CB 3.45Å; Y975-E981 HydrophobicContact CE2-CB 3.71Å; Y975-E981 HydrophobicContact CE2-CG 4.13Å; Y975-E981 HydrophobicContact CG-CB 3.94Å; Y975-E981 VanDerWaalsContact CZ-CB 3.47Å; Y975-E981 PolarHBondContact N-O 2.02Å; Y975-E981 PolarHBondContact O-N 2.92Å; Y975-C983 HydrophobicContact CD1-CB 4.36Å; Y975-C983 VanDerWaalsContact CD1-SG 3.54Å; Y975-H992 WeakPolarHBondContact CA-O 3.46Å; Y975-H992 VanDerWaalsContact CB-O 3.29Å; Y975-H992 WeakPolarHBondContact CB-O 3.23Å; Y975-S994 VanDerWaalsContact CD2-C 3.5Å; Y975-S994 WeakPolarHBondContact CD2-O 3.3Å; Y975-S994 WeakPolarHBondContact CE2-O 3.07Å; Y975-G995 VanDerWaalsContact CD2-N 3.31Å
976G65Low75.3Confident9 Ų974 Ų749%0.09339%0.393CS..SBendtrans79.6-167.4172.700000113.3P959 G960 N978 C979P959-G976 WeakPolarHBondContact CA-O 3.3Å; G960-G976 PolarHBondContact N-O 3.19Å; G976-N978 PolarHBondContact O-N 3.3Å; G976-C979 PolarHBondContact O-N 3.33Å
977L67Low75.1Confident97 Ų9776.7 Ų76.751%0.50841%0.406SS..G310 helixtrans-67.4131.8-179.5-143.377000109.8P959 C979 T980P959-L977 HydrophobicContact CG-CD1 4.13Å; L977-C979 PolarHBondContact O-N 2.85Å; L977-T980 PolarHBondContact O-N 2.8Å; L977-T980 PolarHBondContact O-OG1 3.13Å
978N68.9Low74.7Confident96 Ų9673.8 Ų73.851%0.51339%0.394SS..G310 helixtrans52.520.2-176.8-61.7-27.2000115.6G976 T980G976-N978 PolarHBondContact O-N 3.3Å; N978-T980 VanDerWaalsContact C-N 3.29Å; N978-T980 HydrophobicContact CB-CG2 4.38Å; N978-T980 PolarHBondContact O-N 2.93Å
979C77Confident74.5Confident12 Ų1272.9 Ų72.98%0.08140%0.396CS..G310 helixtrans58.532.2-177.9-47.90000114.6C970 K974 Y975 G976 L977C970-C979 WeakPolarHBondContact CA-SG 3.46Å; C970-C979 HydrophobicContact CB-CB 3.75Å; C970-C979 WeakPolarHBondContact CB-SG 3.4Å; C970-C979 VanDerWaalsContact SG-CA 3.52Å; C970-C979 WeakPolarHBondContact SG-CB 3.28Å; C970-C979 CovalentContact SG-SG 2.02Å; C970-C979 PolarHBondContact SG-SG 3.47Å; K974-C979 HydrophobicContact CB-CB 4.18Å; Y975-C979 CarbonylContact O-C 3.44Å; Y975-C979 WeakPolarHBondContact O-CA 3.34Å; G976-C979 PolarHBondContact O-N 3.33Å; L977-C979 PolarHBondContact O-N 2.85Å
980T78.2Confident74.3Confident91 Ų9167.7 Ų67.756%0.55838%0.376SS*.  trans-76-33.2-179.956.80000113.3L977 N978L977-T980 PolarHBondContact O-N 2.8Å; L977-T980 PolarHBondContact O-OG1 3.13Å; N978-T980 VanDerWaalsContact C-N 3.29Å; N978-T980 HydrophobicContact CB-CG2 4.38Å; N978-T980 PolarHBondContact O-N 2.93Å
981E68.3Low74.1Confident94 Ų9469 Ų6944%0.43938%0.383SS..EExtended strand (participates in β ladder)trans-80143.4-175-56.2-45.6116.700111K974 Y975K974-E981 CarbonylContact C-O 3.52Å; K974-E981 WeakPolarHBondContact CA-O 3.33Å; Y975-E981 HydrophobicContact CD1-CB 3.69Å; Y975-E981 HydrophobicContact CD2-CB 3.94Å; Y975-E981 HydrophobicContact CE1-CB 3.45Å; Y975-E981 VanDerWaalsContact CE1-CB 3.45Å; Y975-E981 HydrophobicContact CE2-CB 3.71Å; Y975-E981 HydrophobicContact CE2-CG 4.13Å; Y975-E981 HydrophobicContact CG-CB 3.94Å; Y975-E981 VanDerWaalsContact CZ-CB 3.47Å; Y975-E981 PolarHBondContact N-O 2.02Å; Y975-E981 PolarHBondContact O-N 2.92Å
982T78.6Confident73.7Confident102 Ų10264.2 Ų64.263%0.62636%0.36SS*.EExtended strand (participates in β ladder)trans-112.7125.9179.5-55.90000109.4G973G973-T982 WeakPolarHBondContact O-CA 3.33Å
983C71.8Confident73.9Confident21 Ų2159.1 Ų59.114%0.14234%0.335CS..  trans-64.9139.3-178.7-94.50000112.4G973 Y975 C990 G995G973-C983 PolarHBondContact O-N 2.83Å; Y975-C983 HydrophobicContact CD1-CB 4.36Å; Y975-C983 VanDerWaalsContact CD1-SG 3.54Å; C983-C990 HydrophobicContact CB-CB 3.51Å; C983-C990 WeakPolarHBondContact CB-SG 3.43Å; C983-C990 WeakPolarHBondContact SG-CB 3.44Å; C983-C990 CovalentContact SG-SG 2.03Å; C983-C990 PolarHBondContact SG-SG 2.95Å; C983-G995 VanDerWaalsContact SG-CA 3.59Å
984A75.5Confident73.7Confident65 Ų6561.1 Ų61.154%0.53734%0.344SS..  trans-99.525.6177.500000113L1007A984-L1007 HydrophobicContact CB-CD2 3.61Å
985C75.1Confident73.3Confident31 Ų3158.2 Ų58.221%0.20934%0.335CS..  trans-68.6129.3179-47.40000110.6G988 C997C985-G988 WeakPolarHBondContact CB-O 3.38Å; C985-C997 WeakPolarHBondContact CA-SG 3.36Å; C985-C997 HydrophobicContact CB-CB 3.75Å; C985-C997 WeakPolarHBondContact CB-SG 3.48Å; C985-C997 VanDerWaalsContact SG-CA 3.55Å; C985-C997 WeakPolarHBondContact SG-CB 3.36Å; C985-C997 CovalentContact SG-SG 2.03Å; C985-C997 PolarHBondContact SG-SG 2.03Å
986V76.3Confident72.7Confident84 Ų8457.8 Ų57.851%0.50934%0.344SS..SBendtrans-94.1-40.2179.4-171.30000111.8L1007 N1009V986-L1007 PolarHBondContact N-O 2.56Å; V986-N1009 HydrophobicContact CB-CB 4.21Å; V986-N1009 HydrophobicContact CG2-CB 3.82Å
987H74.6Confident73.3Confident57 Ų5757.9 Ų57.926%0.26434%0.344SS..SBendtrans-142.773.7177.7-49.4106.1000109.4E1000 W1003 C1008H987-E1000 VanDerWaalsContact C-CD 3.43Å; H987-E1000 HydrophobicContact CB-CB 4.48Å; H987-E1000 WeakPolarHBondContact O-CB 3.13Å; H987-E1000 PolarHBondContact O-N 3.1Å; H987-W1003 HydrophobicContact CB-CB 4.32Å; H987-W1003 VanDerWaalsContact CB-CD1 3.48Å; H987-W1003 HydrophobicContact CB-CD2 3.75Å; H987-W1003 HydrophobicContact CB-CG 3.59Å; H987-W1003 AromaticContact CE1-CE2 3.81Å; H987-W1003 AromaticContact CE1-CE3 4Å; H987-W1003 AromaticContact CE1-CH2 3.23Å; H987-W1003 WeakPolarHBondContact CE1-CH2 3.45Å; H987-W1003 AromaticContact CE1-CZ2 3.37Å; H987-W1003 WeakPolarHBondContact CE1-CZ2 3.45Å; H987-W1003 AromaticContact CE1-CZ3 3.56Å; H987-W1003 AromaticContact CG-CD2 3.71Å; H987-W1003 AromaticContact CG-CE2 3.47Å; H987-W1003 VanDerWaalsContact CG-CE2 3.47Å; H987-W1003 AromaticContact CG-CZ2 3.8Å; H987-W1003 AromaticContact CG-NE1 3.68Å; H987-W1003 AromaticContact ND1-CD2 3.35Å; H987-W1003 AromaticContact ND1-CE2 3.34Å; H987-W1003 VanDerWaalsContact ND1-CE2 3.34Å; H987-W1003 AromaticContact ND1-CE3 3.36Å; H987-W1003 AromaticContact ND1-CH2 3.46Å; H987-W1003 WeakPolarHBondContact ND1-CH2 3.18Å; H987-W1003 AromaticContact ND1-CZ2 3.41Å; H987-W1003 WeakPolarHBondContact ND1-CZ2 3.18Å; H987-W1003 AromaticContact ND1-CZ3 3.42Å; H987-W1003 WeakPolarHBondContact ND1-CZ3 3.43Å; H987-W1003 AromaticContact NE2-CZ2 3.76Å; H987-C1008 HydrophobicContact CB-CB 4.48Å; H987-C1008 PolarHBondContact ND1-O 3.21Å; H987-C1008 WeakPolarHBondContact O-CB 3.41Å
988G71.1Confident73.6Confident16 Ų1658.7 Ų58.717%0.16535%0.345CS..EExtended strand (participates in β ladder)trans176.3153.3-171.800000114.1C985 E998 E1000C985-G988 WeakPolarHBondContact CB-O 3.38Å; G988-E998 CarbonylContact C-O 3.49Å; G988-E998 WeakPolarHBondContact CA-O 3.33Å; G988-E1000 PolarHBondContact N-OE1 2.81Å
989T74.7Confident73.9Confident86 Ų8654.4 Ų54.453%0.52832%0.322SS..EExtended strand (participates in β ladder)trans-80.1132.3176.336.70000111.3D991 C997 E998T989-D991 PolarHBondContact O-N 2.7Å; T989-C997 CarbonylContact O-C 3.31Å; T989-C997 WeakPolarHBondContact O-CA 3.31Å; T989-E998 PolarHBondContact N-O 2.89Å; T989-E998 PolarHBondContact O-N 2.93Å; T989-E998 PolarHBondContact OG1-OE2 2.84Å
990C71.9Confident74Confident28 Ų2858.5 Ų58.519%0.18934%0.34CS..EExtended strand (participates in β ladder)trans-74.6114.8173.6179.20000109.7C983 H992C983-C990 HydrophobicContact CB-CB 3.51Å; C983-C990 WeakPolarHBondContact CB-SG 3.43Å; C983-C990 WeakPolarHBondContact SG-CB 3.44Å; C983-C990 CovalentContact SG-SG 2.03Å; C983-C990 PolarHBondContact SG-SG 2.95Å; C990-H992 PolarHBondContact O-N 2.97Å; C990-H992 VanDerWaalsContact O-N 3.17Å
991D74.9Confident73.9Confident41 Ų4157 Ų5722%0.21933%0.332CS..  trans-61120.8164.5166.1-128.6000108.5T989 R993 S994 G995 A996T989-D991 PolarHBondContact O-N 2.7Å; D991-R993 PolarHBondContact O-N 3.03Å; D991-R993 VanDerWaalsContact O-N 3.12Å; D991-R993 PolarHBondContact OD1-N 3.03Å; D991-R993 PolarHBondContact OD2-N 3.09Å; D991-R993 VanDerWaalsContact OD2-N 3.16Å; D991-S994 VanDerWaalsContact OD1-CB 3.27Å; D991-S994 WeakPolarHBondContact OD1-CB 3.07Å; D991-S994 PolarHBondContact OD1-N 2.81Å; D991-S994 PolarHBondContact OD1-OG 3.25Å; D991-G995 WeakPolarHBondContact O-CA 3.49Å; D991-G995 PolarHBondContact O-N 3.02Å; D991-A996 PolarHBondContact N-O 3.45Å
992H72.8Confident74.4Confident29 Ų2952.7 Ų52.713%0.13431%0.313CS..THydrogen-bonded Turntrans-56.5-31.5-177.669.9115.6000112.7G960 F961 C970 Y975 C990G960-H992 WeakPolarHBondContact CA-O 3.22Å; G960-H992 PolarHBondContact N-O 2.85Å; G960-H992 PolarHBondContact O-ND1 3.12Å; F961-H992 AromaticContact CE2-CE1 3.7Å; F961-H992 AromaticContact CZ-CE1 3.57Å; C970-H992 HydrophobicContact CB-CB 4.46Å; Y975-H992 WeakPolarHBondContact CA-O 3.46Å; Y975-H992 VanDerWaalsContact CB-O 3.29Å; Y975-H992 WeakPolarHBondContact CB-O 3.23Å; C990-H992 PolarHBondContact O-N 2.97Å; C990-H992 VanDerWaalsContact O-N 3.17Å
993R73.6Confident74.7Confident116 Ų11651.2 Ų51.244%0.43830%0.296SS..THydrogen-bonded Turntrans-82.8-54.2-175.5-50.1-168.4-167.1-140.44.2113.1P959 F961 D991P959-R993 VanDerWaalsContact CB-O 3.3Å; P959-R993 WeakPolarHBondContact CB-O 3.43Å; P959-R993 WeakPolarHBondContact O-CA 3.27Å; P959-R993 WeakPolarHBondContact O-CB 3.26Å; P959-R993 WeakPolarHBondContact O-CG 3.35Å; F961-R993 HydrophobicContact CE2-CG 4.41Å; D991-R993 PolarHBondContact O-N 3.03Å; D991-R993 VanDerWaalsContact O-N 3.12Å; D991-R993 PolarHBondContact OD1-N 3.03Å; D991-R993 PolarHBondContact OD2-N 3.09Å; D991-R993 VanDerWaalsContact OD2-N 3.16Å
994S70.2Confident74.9Confident71 Ų7154.9 Ų54.950%0.49731%0.306SS..THydrogen-bonded Turntrans-97.2-19.5-168.365.20000114.4Y975 D991 A996Y975-S994 VanDerWaalsContact CD2-C 3.5Å; Y975-S994 WeakPolarHBondContact CD2-O 3.3Å; Y975-S994 WeakPolarHBondContact CE2-O 3.07Å; D991-S994 VanDerWaalsContact OD1-CB 3.27Å; D991-S994 WeakPolarHBondContact OD1-CB 3.07Å; D991-S994 PolarHBondContact OD1-N 2.81Å; D991-S994 PolarHBondContact OD1-OG 3.25Å; S994-A996 PolarHBondContact O-N 2.91Å; S994-A996 VanDerWaalsContact OG-CB 3.3Å; S994-A996 WeakPolarHBondContact OG-CB 3.32Å; S994-A996 PolarHBondContact OG-N 3.01Å
995G72.3Confident74.6Confident13 Ų1355 Ų5513%0.13430%0.298CS..  trans71.98.7-169.700000114.1Y975 C983 D991Y975-G995 VanDerWaalsContact CD2-N 3.31Å; C983-G995 VanDerWaalsContact SG-CA 3.59Å; D991-G995 WeakPolarHBondContact O-CA 3.49Å; D991-G995 PolarHBondContact O-N 3.02Å
996A70Confident74.2Confident54 Ų5461.6 Ų61.645%0.44633%0.328SS..  trans-62.4136168.100000109.4D991 S994D991-A996 PolarHBondContact N-O 3.45Å; S994-A996 PolarHBondContact O-N 2.91Å; S994-A996 VanDerWaalsContact OG-CB 3.3Å; S994-A996 WeakPolarHBondContact OG-CB 3.32Å; S994-A996 PolarHBondContact OG-N 3.01Å
997C77.1Confident74.2Confident12 Ų1261 Ų618%0.08132%0.321CS..EExtended strand (participates in β ladder)trans-87.7113.5173.1-54.80000109C985 T989 C999 M1006 C1008C985-C997 WeakPolarHBondContact CA-SG 3.36Å; C985-C997 HydrophobicContact CB-CB 3.75Å; C985-C997 WeakPolarHBondContact CB-SG 3.48Å; C985-C997 VanDerWaalsContact SG-CA 3.55Å; C985-C997 WeakPolarHBondContact SG-CB 3.36Å; C985-C997 CovalentContact SG-SG 2.03Å; C985-C997 PolarHBondContact SG-SG 2.03Å; T989-C997 CarbonylContact O-C 3.31Å; T989-C997 WeakPolarHBondContact O-CA 3.31Å; C997-C999 PolarHBondContact O-N 2.94Å; C997-M1006 PolarHBondContact SG-O 2.86Å; C997-C1008 WeakPolarHBondContact CB-SG 3.05Å
998E72.1Confident74.4Confident113 Ų11358.2 Ų58.253%0.52831%0.309SS..EExtended strand (participates in β ladder)trans-72.3114.8162.7-61.2171140.100106.9G988 T989G988-E998 CarbonylContact C-O 3.49Å; G988-E998 WeakPolarHBondContact CA-O 3.33Å; T989-E998 PolarHBondContact N-O 2.89Å; T989-E998 PolarHBondContact O-N 2.93Å; T989-E998 PolarHBondContact OG1-OE2 2.84Å
999C76.8Confident74.9Confident6 Ų660.7 Ų60.74%0.04132%0.318CS..EExtended strand (participates in β ladder)trans-79134.9-171.7-62.60000113C997 W1003 N1005 C1008 D1020C997-C999 PolarHBondContact O-N 2.94Å; C999-W1003 HydrophobicContact CB-CB 3.99Å; C999-W1003 VanDerWaalsContact CB-O 3.24Å; C999-W1003 WeakPolarHBondContact CB-O 3.23Å; C999-N1005 PolarHBondContact SG-O 3.08Å; C999-C1008 WeakPolarHBondContact CA-SG 3.19Å; C999-C1008 HydrophobicContact CB-CB 3.79Å; C999-C1008 WeakPolarHBondContact CB-SG 3.13Å; C999-C1008 WeakPolarHBondContact SG-CA 3.5Å; C999-C1008 WeakPolarHBondContact SG-CB 3.01Å; C999-C1008 CovalentContact SG-SG 2.04Å; C999-C1008 PolarHBondContact SG-SG 3.44Å; C999-D1020 VanDerWaalsContact CB-OD1 3.27Å; C999-D1020 WeakPolarHBondContact CB-OD1 3.21Å; C999-D1020 PolarHBondContact N-OD1 2.75Å; C999-D1020 VanDerWaalsContact N-OD1 3.17Å
1000E77.6Confident74.9Confident99 Ų9962.3 Ų62.346%0.46332%0.318SS..PPolyproline II helixtrans-51.9142.5167.7-76.6163-152.400109.3H987 G988 G1002 W1003H987-E1000 VanDerWaalsContact C-CD 3.43Å; H987-E1000 HydrophobicContact CB-CB 4.48Å; H987-E1000 WeakPolarHBondContact O-CB 3.13Å; H987-E1000 PolarHBondContact O-N 3.1Å; G988-E1000 PolarHBondContact N-OE1 2.81Å; E1000-G1002 PolarHBondContact O-N 3.37Å; E1000-W1003 WeakPolarHBondContact O-CB 3.39Å; E1000-W1003 PolarHBondContact O-N 2.73Å
1001P77.4Confident75.3Confident59 Ų5964.3 Ų64.338%0.38333%0.331SS..THydrogen-bonded Turntrans-51.5129.3-177.7-2835000112.1G1018 A1019 V1036P1001-G1018 WeakPolarHBondContact CA-O 3.49Å; P1001-A1019 HydrophobicContact CG-CB 4.46Å; P1001-V1036 HydrophobicContact CB-CG1 3.86Å; P1001-V1036 WeakPolarHBondContact CB-O 3.2Å
1002G78.5Confident75.6Confident3 Ų363 Ų633%0.03133%0.325CS..THydrogen-bonded Turntrans97.8-10-173.600000115.7E1000 P1011 C1012 G1018 P1035E1000-G1002 PolarHBondContact O-N 3.37Å; G1002-P1011 CarbonylContact O-C 3.57Å; G1002-P1011 VanDerWaalsContact O-CA 3.28Å; G1002-P1011 WeakPolarHBondContact O-CA 3.35Å; G1002-C1012 VanDerWaalsContact CA-SG 3.5Å; G1002-C1012 PolarHBondContact O-N 3.14Å; G1002-C1012 PolarHBondContact O-SG 3.48Å; G1002-C1012 VanDerWaalsContact O-SG 3.36Å; G1002-G1018 PolarHBondContact N-O 2.81Å; G1002-G1018 VanDerWaalsContact N-O 3.16Å; G1002-P1035 VanDerWaalsContact CA-C 3.5Å; G1002-P1035 WeakPolarHBondContact CA-O 3.27Å; G1002-P1035 PolarHBondContact N-O 2.82Å
1003W83.5Confident75.7Confident72 Ų7263 Ų6327%0.27333%0.329SS..EExtended strand (participates in β ladder)trans-112158.5176.5-59.193.9000112.7H987 C999 E1000 C1008 K1010 C1021H987-W1003 HydrophobicContact CB-CB 4.32Å; H987-W1003 VanDerWaalsContact CB-CD1 3.48Å; H987-W1003 HydrophobicContact CB-CD2 3.75Å; H987-W1003 HydrophobicContact CB-CG 3.59Å; H987-W1003 AromaticContact CE1-CE2 3.81Å; H987-W1003 AromaticContact CE1-CE3 4Å; H987-W1003 AromaticContact CE1-CH2 3.23Å; H987-W1003 WeakPolarHBondContact CE1-CH2 3.45Å; H987-W1003 AromaticContact CE1-CZ2 3.37Å; H987-W1003 WeakPolarHBondContact CE1-CZ2 3.45Å; H987-W1003 AromaticContact CE1-CZ3 3.56Å; H987-W1003 AromaticContact CG-CD2 3.71Å; H987-W1003 AromaticContact CG-CE2 3.47Å; H987-W1003 VanDerWaalsContact CG-CE2 3.47Å; H987-W1003 AromaticContact CG-CZ2 3.8Å; H987-W1003 AromaticContact CG-NE1 3.68Å; H987-W1003 AromaticContact ND1-CD2 3.35Å; H987-W1003 AromaticContact ND1-CE2 3.34Å; H987-W1003 VanDerWaalsContact ND1-CE2 3.34Å; H987-W1003 AromaticContact ND1-CE3 3.36Å; H987-W1003 AromaticContact ND1-CH2 3.46Å; H987-W1003 WeakPolarHBondContact ND1-CH2 3.18Å; H987-W1003 AromaticContact ND1-CZ2 3.41Å; H987-W1003 WeakPolarHBondContact ND1-CZ2 3.18Å; H987-W1003 AromaticContact ND1-CZ3 3.42Å; H987-W1003 WeakPolarHBondContact ND1-CZ3 3.43Å; H987-W1003 AromaticContact NE2-CZ2 3.76Å; C999-W1003 HydrophobicContact CB-CB 3.99Å; C999-W1003 VanDerWaalsContact CB-O 3.24Å; C999-W1003 WeakPolarHBondContact CB-O 3.23Å; E1000-W1003 WeakPolarHBondContact O-CB 3.39Å; E1000-W1003 PolarHBondContact O-N 2.73Å; W1003-C1008 HydrophobicContact CB-CB 4.12Å; W1003-K1010 WeakPolarHBondContact CA-O 3.18Å; W1003-C1021 PolarHBondContact O-SG 3.17Å; W1003-C1021 VanDerWaalsContact O-SG 3.41Å
1004R77.5Confident75.8Confident97 Ų9762.9 Ų62.937%0.36634%0.344SS..EExtended strand (participates in β ladder)trans-154.4172.4179.254.6166.6176.6156.7-3.1112.3K1010 P1011R1004-K1010 HydrophobicContact CG-CB 4.14Å; R1004-K1010 WeakPolarHBondContact CG-O 3.07Å; R1004-K1010 PolarHBondContact N-O 3.09Å; R1004-K1010 PolarHBondContact O-N 3.49Å; R1004-P1011 PolarHBondContact NE-O 3.24Å; R1004-P1011 PolarHBondContact NH2-O 3.06Å
1005N69.1Low76Confident69 Ų6961 Ų6137%0.36934%0.335SS..SBendtrans79.8162.6-17492.55.9000113.6C999 L1007 C1008 N1009 K1010C999-N1005 PolarHBondContact SG-O 3.08Å; N1005-L1007 PolarHBondContact O-N 2.86Å; N1005-L1007 PolarHBondContact OD1-N 2.97Å; N1005-C1008 PolarHBondContact O-N 3.41Å; N1005-C1008 PolarHBondContact OD1-N 3.12Å; N1005-N1009 PolarHBondContact ND2-OD1 3.43Å; N1005-N1009 PolarHBondContact OD1-N 2.03Å; N1005-N1009 PolarHBondContact OD1-OD1 3Å; N1005-K1010 VanDerWaalsContact ND2-CG 3.3Å; N1005-K1010 WeakPolarHBondContact ND2-CG 3.46Å
1006M67.4Low76.4Confident168 Ų16864 Ų6483%0.82835%0.345SS*.THydrogen-bonded Turntrans-65.74.3-171.9-49.5-163.9-51.500115.4C997C997-M1006 PolarHBondContact SG-O 2.86Å
1007L76.3Confident77.2Confident71 Ų7164.2 Ų64.237%0.37233%0.334SS..THydrogen-bonded Turntrans-127.6-0.7174.9-61.1172.6000111.8A984 V986 N1005 N1009A984-L1007 HydrophobicContact CB-CD2 3.61Å; V986-L1007 PolarHBondContact N-O 2.56Å; N1005-L1007 PolarHBondContact O-N 2.86Å; N1005-L1007 PolarHBondContact OD1-N 2.97Å; L1007-N1009 HydrophobicContact CB-CB 4.3Å; L1007-N1009 WeakPolarHBondContact CD1-ND2 3.38Å; L1007-N1009 PolarHBondContact O-N 3.33Å; L1007-N1009 VanDerWaalsContact O-N 3.14Å
1008C77.4Confident77.1Confident0 Ų063.9 Ų63.90%033%0.333CS..SBendtrans47.937.4-172.2-50.10000113.8H987 C997 C999 W1003 N1005H987-C1008 HydrophobicContact CB-CB 4.48Å; H987-C1008 PolarHBondContact ND1-O 3.21Å; H987-C1008 WeakPolarHBondContact O-CB 3.41Å; C997-C1008 WeakPolarHBondContact CB-SG 3.05Å; C999-C1008 WeakPolarHBondContact CA-SG 3.19Å; C999-C1008 HydrophobicContact CB-CB 3.79Å; C999-C1008 WeakPolarHBondContact CB-SG 3.13Å; C999-C1008 WeakPolarHBondContact SG-CA 3.5Å; C999-C1008 WeakPolarHBondContact SG-CB 3.01Å; C999-C1008 CovalentContact SG-SG 2.04Å; C999-C1008 PolarHBondContact SG-SG 3.44Å; W1003-C1008 HydrophobicContact CB-CB 4.12Å; N1005-C1008 PolarHBondContact O-N 3.41Å; N1005-C1008 PolarHBondContact OD1-N 3.12Å
1009N81.8Confident77.1Confident68 Ų6860.4 Ų60.436%0.36432%0.324SS..  trans-107.48.7-176.274.817.1000113.7V986 N1005 L1007V986-N1009 HydrophobicContact CB-CB 4.21Å; V986-N1009 HydrophobicContact CG2-CB 3.82Å; N1005-N1009 PolarHBondContact ND2-OD1 3.43Å; N1005-N1009 PolarHBondContact OD1-N 2.03Å; N1005-N1009 PolarHBondContact OD1-OD1 3Å; L1007-N1009 HydrophobicContact CB-CB 4.3Å; L1007-N1009 WeakPolarHBondContact CD1-ND2 3.38Å; L1007-N1009 PolarHBondContact O-N 3.33Å; L1007-N1009 VanDerWaalsContact O-N 3.14Å
1010K74.9Confident76.8Confident119 Ų11964.2 Ų64.252%0.51734%0.344SS..EExtended strand (participates in β ladder)trans-118.3131.1169.6-67.9-71.5-179.3-178.80109.1W1003 R1004 N1005W1003-K1010 WeakPolarHBondContact CA-O 3.18Å; R1004-K1010 HydrophobicContact CG-CB 4.14Å; R1004-K1010 WeakPolarHBondContact CG-O 3.07Å; R1004-K1010 PolarHBondContact N-O 3.09Å; R1004-K1010 PolarHBondContact O-N 3.49Å; N1005-K1010 VanDerWaalsContact ND2-CG 3.3Å; N1005-K1010 WeakPolarHBondContact ND2-CG 3.46Å
1011P81.1Confident76.7Confident71 Ų7160 Ų6046%0.46133%0.325SS..EExtended strand (participates in β ladder)trans-66.2164.216631-35.6000110.1G1002 R1004G1002-P1011 CarbonylContact O-C 3.57Å; G1002-P1011 VanDerWaalsContact O-CA 3.28Å; G1002-P1011 WeakPolarHBondContact O-CA 3.35Å; R1004-P1011 PolarHBondContact NE-O 3.24Å; R1004-P1011 PolarHBondContact NH2-O 3.06Å
1012C79.4Confident76.5Confident14 Ų1463.4 Ų63.410%0.09534%0.336CS..PPolyproline II helixtrans-50157.8176.6-66.60000114.1G1002 F1016 C1021 P1035G1002-C1012 VanDerWaalsContact CA-SG 3.5Å; G1002-C1012 PolarHBondContact O-N 3.14Å; G1002-C1012 PolarHBondContact O-SG 3.48Å; G1002-C1012 VanDerWaalsContact O-SG 3.36Å; C1012-F1016 HydrophobicContact CB-CB 4.44Å; C1012-F1016 VanDerWaalsContact CB-O 3.24Å; C1012-F1016 WeakPolarHBondContact CB-O 3.43Å; C1012-C1021 WeakPolarHBondContact CA-SG 3.38Å; C1012-C1021 HydrophobicContact CB-CB 3.83Å; C1012-C1021 WeakPolarHBondContact CB-SG 3.3Å; C1012-C1021 WeakPolarHBondContact SG-CB 2.94Å; C1012-C1021 CovalentContact SG-SG 2.03Å; C1012-C1021 PolarHBondContact SG-SG 3.35Å; C1012-P1035 HydrophobicContact CB-CB 3.94Å
1013A76.4Confident76.3Confident28 Ų2867.3 Ų67.323%0.23135%0.353CS..PPolyproline II helixtrans-71.3145.116600000108.7G1015 F1016A1013-G1015 PolarHBondContact O-N 2.98Å; A1013-F1016 HydrophobicContact CB-CD2 3.94Å; A1013-F1016 HydrophobicContact CB-CE2 4.45Å; A1013-F1016 PolarHBondContact O-N 3.17Å
1014P75.5Confident76.1Confident114 Ų11472.5 Ų72.574%0.7437%0.373SS*.THydrogen-bonded Turntrans-50.5128.8174.6-28.435.6000111.6
1015G73.6Confident76.1Confident30 Ų3068.5 Ų68.531%0.30936%0.36SS..THydrogen-bonded Turntrans87.312.8-175.300000115.9A1013 C1025A1013-G1015 PolarHBondContact O-N 2.98Å; G1015-C1025 PolarHBondContact O-N 3.34Å
1016F81.7Confident76.6Confident77 Ų7771.7 Ų71.734%0.33838%0.376SS..EExtended strand (participates in β ladder)trans-130.1147.8172.1-65-97.9000111.9C1012 A1013 C1021 H1023 C1025C1012-F1016 HydrophobicContact CB-CB 4.44Å; C1012-F1016 VanDerWaalsContact CB-O 3.24Å; C1012-F1016 WeakPolarHBondContact CB-O 3.43Å; A1013-F1016 HydrophobicContact CB-CD2 3.94Å; A1013-F1016 HydrophobicContact CB-CE2 4.45Å; A1013-F1016 PolarHBondContact O-N 3.17Å; F1016-C1021 HydrophobicContact CB-CB 4.04Å; F1016-C1021 WeakPolarHBondContact CD1-O 3.49Å; F1016-H1023 CarbonylContact C-O 3.56Å; F1016-H1023 VanDerWaalsContact CA-O 3.24Å; F1016-H1023 WeakPolarHBondContact CA-O 3.2Å; F1016-C1025 VanDerWaalsContact C-SG 3.58Å; F1016-C1025 PolarHBondContact N-SG 3.43Å
1017Y86.2Confident77.1Confident58 Ų5865 Ų6523%0.22735%0.345CS..EExtended strand (participates in β ladder)trans-147.3173.3-177.478.8-81.3000113.1C1021 H1023 C1025 P1035 T1037 G1038Y1017-C1021 CarbonylContact O-C 3.39Å; Y1017-C1021 WeakPolarHBondContact O-CA 3.34Å; Y1017-H1023 HydrophobicContact CD1-CB 3.67Å; Y1017-H1023 HydrophobicContact CD2-CB 4.31Å; Y1017-H1023 HydrophobicContact CE1-CB 3.35Å; Y1017-H1023 HydrophobicContact CE2-CB 4.05Å; Y1017-H1023 HydrophobicContact CG-CB 4.16Å; Y1017-H1023 PolarHBondContact N-O 3.28Å; Y1017-H1023 PolarHBondContact O-N 2.81Å; Y1017-H1023 VanDerWaalsContact O-N 3.14Å; Y1017-C1025 HydrophobicContact CD1-CB 4.32Å; Y1017-C1025 VanDerWaalsContact CD1-SG 3.59Å; Y1017-P1035 CarbonylContact C-O 3.51Å; Y1017-P1035 WeakPolarHBondContact CA-O 3.16Å; Y1017-P1035 WeakPolarHBondContact CB-O 3.37Å; Y1017-T1037 VanDerWaalsContact CD2-C 3.47Å; Y1017-T1037 WeakPolarHBondContact CD2-O 3.24Å; Y1017-T1037 VanDerWaalsContact CE2-O 3.3Å; Y1017-T1037 WeakPolarHBondContact CE2-O 3.05Å; Y1017-G1038 VanDerWaalsContact CD2-N 3.32Å
1018G74.6Confident77Confident6 Ų664.2 Ų64.26%0.06234%0.343CS..SBendtrans84.5-175.5175.800000113.5P1001 G1002 D1020 C1021 P1035P1001-G1018 WeakPolarHBondContact CA-O 3.49Å; G1002-G1018 PolarHBondContact N-O 2.81Å; G1002-G1018 VanDerWaalsContact N-O 3.16Å; G1018-D1020 PolarHBondContact O-N 3.49Å; G1018-C1021 PolarHBondContact O-N 2.86Å; G1018-P1035 PolarHBondContact N-O 2.86Å
1019A72.7Confident76.5Confident40 Ų4067.9 Ų67.933%0.33136%0.363SS..G310 helixtrans-59.3134.1177.100000110.9P1001 C1021 Q1022P1001-A1019 HydrophobicContact CG-CB 4.46Å; A1019-C1021 PolarHBondContact O-N 2.03Å; A1019-Q1022 WeakPolarHBondContact O-CG 3.39Å; A1019-Q1022 PolarHBondContact O-N 2.82Å; A1019-Q1022 VanDerWaalsContact O-N 3.16Å; A1019-Q1022 PolarHBondContact O-NE2 3.25Å
1020D69.6Low75.7Confident86 Ų8667.5 Ų67.546%0.4638%0.376SS..G310 helixtrans49.617.9-170.1-69.2-30.6000115.4C999 G1018 Q1022C999-D1020 VanDerWaalsContact CB-OD1 3.27Å; C999-D1020 WeakPolarHBondContact CB-OD1 3.21Å; C999-D1020 PolarHBondContact N-OD1 2.75Å; C999-D1020 VanDerWaalsContact N-OD1 3.17Å; G1018-D1020 PolarHBondContact O-N 3.49Å; D1020-Q1022 PolarHBondContact O-N 2.85Å
1021C76.6Confident75.4Confident11 Ų1162.4 Ų62.47%0.07436%0.356CS..G310 helixtrans56.629.9-174-48.50000113.9W1003 C1012 F1016 Y1017 G1018 A1019 H1023W1003-C1021 PolarHBondContact O-SG 3.17Å; W1003-C1021 VanDerWaalsContact O-SG 3.41Å; C1012-C1021 WeakPolarHBondContact CA-SG 3.38Å; C1012-C1021 HydrophobicContact CB-CB 3.83Å; C1012-C1021 WeakPolarHBondContact CB-SG 3.3Å; C1012-C1021 WeakPolarHBondContact SG-CB 2.94Å; C1012-C1021 CovalentContact SG-SG 2.03Å; C1012-C1021 PolarHBondContact SG-SG 3.35Å; F1016-C1021 HydrophobicContact CB-CB 4.04Å; F1016-C1021 WeakPolarHBondContact CD1-O 3.49Å; Y1017-C1021 CarbonylContact O-C 3.39Å; Y1017-C1021 WeakPolarHBondContact O-CA 3.34Å; G1018-C1021 PolarHBondContact O-N 2.86Å; A1019-C1021 PolarHBondContact O-N 2.03Å; C1021-H1023 VanDerWaalsContact C-N 3.27Å; C1021-H1023 PolarHBondContact O-N 2.04Å
1022Q73Confident75Confident129 Ų12965.7 Ų65.760%0.60337%0.365SS*.  trans-70.3-18.7-172.373.1-169.4-88.300114.2A1019 D1020A1019-Q1022 WeakPolarHBondContact O-CG 3.39Å; A1019-Q1022 PolarHBondContact O-N 2.82Å; A1019-Q1022 VanDerWaalsContact O-N 3.16Å; A1019-Q1022 PolarHBondContact O-NE2 3.25Å; D1020-Q1022 PolarHBondContact O-N 2.85Å
1023H74.5Confident75.1Confident85 Ų8566 Ų6639%0.39437%0.366SS..EExtended strand (participates in β ladder)trans-97.2135.9179.4-55.2-51.8000111F1016 Y1017 C1021F1016-H1023 CarbonylContact C-O 3.56Å; F1016-H1023 VanDerWaalsContact CA-O 3.24Å; F1016-H1023 WeakPolarHBondContact CA-O 3.2Å; Y1017-H1023 HydrophobicContact CD1-CB 3.67Å; Y1017-H1023 HydrophobicContact CD2-CB 4.31Å; Y1017-H1023 HydrophobicContact CE1-CB 3.35Å; Y1017-H1023 HydrophobicContact CE2-CB 4.05Å; Y1017-H1023 HydrophobicContact CG-CB 4.16Å; Y1017-H1023 PolarHBondContact N-O 3.28Å; Y1017-H1023 PolarHBondContact O-N 2.81Å; Y1017-H1023 VanDerWaalsContact O-N 3.14Å; C1021-H1023 VanDerWaalsContact C-N 3.27Å; C1021-H1023 PolarHBondContact O-N 2.04Å
1024R79.6Confident75.4Confident181 Ų18167.5 Ų67.568%0.68337%0.371SS*.EExtended strand (participates in β ladder)trans-83.4130.7169.9165.1178.1-87.1-107.9-1109
1025C77.4Confident75.3Confident14 Ų1464.1 Ų64.110%0.09535%0.349CS..PPolyproline II helixtrans-63.6136.8176.4-56.10000111.2G1015 F1016 Y1017 C1027 C1033G1015-C1025 PolarHBondContact O-N 3.34Å; F1016-C1025 VanDerWaalsContact C-SG 3.58Å; F1016-C1025 PolarHBondContact N-SG 3.43Å; Y1017-C1025 HydrophobicContact CD1-CB 4.32Å; Y1017-C1025 VanDerWaalsContact CD1-SG 3.59Å; C1025-C1027 VanDerWaalsContact C-N 3.26Å; C1025-C1027 PolarHBondContact O-N 3Å; C1025-C1033 HydrophobicContact CB-CB 3.59Å; C1025-C1033 WeakPolarHBondContact CB-SG 3.22Å; C1025-C1033 WeakPolarHBondContact SG-CB 3.26Å; C1025-C1033 CovalentContact SG-SG 2.02Å; C1025-C1033 PolarHBondContact SG-SG 3.28Å
1026L78Confident75.7Confident136 Ų13666.2 Ų66.271%0.71236%0.355SS*.  trans-87.66.1179.4-62.4177.6000113.1T1028L1026-T1028 PolarHBondContact O-N 3.22Å
1027C79.2Confident75.7Confident27 Ų2766.2 Ų66.218%0.18236%0.362CS..  trans-60.6127.3-179.8-48.70000111.8C1025 A1031 C1040C1025-C1027 VanDerWaalsContact C-N 3.26Å; C1025-C1027 PolarHBondContact O-N 3Å; C1027-A1031 HydrophobicContact CB-CB 4.21Å; C1027-A1031 VanDerWaalsContact CB-O 3.31Å; C1027-A1031 WeakPolarHBondContact CB-O 3.4Å; C1027-C1040 WeakPolarHBondContact CA-SG 3.22Å; C1027-C1040 HydrophobicContact CB-CB 3.83Å; C1027-C1040 WeakPolarHBondContact CB-SG 3.31Å; C1027-C1040 VanDerWaalsContact SG-CA 3.54Å; C1027-C1040 WeakPolarHBondContact SG-CB 3.48Å; C1027-C1040 CovalentContact SG-SG 2.03Å; C1027-C1040 PolarHBondContact SG-SG 3.11Å
1028T73.7Confident75.4Confident54 Ų5464 Ų6433%0.33136%0.357SS..  trans-98.9175176.463.20000110.7L1026 G1030 A1031 A1050 C1051 D1052L1026-T1028 PolarHBondContact O-N 3.22Å; T1028-G1030 PolarHBondContact O-N 2.96Å; T1028-A1031 PolarHBondContact O-N 2.85Å; T1028-A1031 VanDerWaalsContact O-N 3.14Å; T1028-A1050 PolarHBondContact N-O 3.38Å; T1028-A1050 PolarHBondContact OG1-O 3.48Å; T1028-C1051 VanDerWaalsContact OG1-C 3.28Å; T1028-C1051 PolarHBondContact OG1-O 2.85Å; T1028-D1052 VanDerWaalsContact OG1-CA 3.22Å; T1028-D1052 WeakPolarHBondContact OG1-CA 3.03Å; T1028-D1052 PolarHBondContact OG1-N 3.47Å
1029N66.9Low75.7Confident77 Ų7769.2 Ų69.241%0.41238%0.383SS..THydrogen-bonded Turntrans55.126172.8-55.1-56.6000115.8A1031 W1046 C1051N1029-A1031 VanDerWaalsContact C-N 3.29Å; N1029-A1031 PolarHBondContact O-N 3.02Å; N1029-W1046 HydrophobicContact CB-CD2 3.7Å; N1029-W1046 HydrophobicContact CB-CE3 4.08Å; N1029-W1046 HydrophobicContact CB-CG 4.17Å; N1029-W1046 HydrophobicContact CB-CH2 4.2Å; N1029-W1046 HydrophobicContact CB-CZ2 3.82Å; N1029-W1046 HydrophobicContact CB-CZ3 4.32Å; N1029-W1046 VanDerWaalsContact CG-CH2 3.41Å; N1029-W1046 VanDerWaalsContact CG-CZ3 3.48Å; N1029-W1046 WeakPolarHBondContact ND2-CZ3 3.4Å; N1029-W1046 WeakPolarHBondContact OD1-CH2 3.24Å; N1029-C1051 PolarHBondContact ND2-O 2.94Å
1030G64Low76.1Confident61 Ų6168.5 Ų68.563%0.62938%0.375SS*.THydrogen-bonded Turntrans73.814177.100000114.8T1028 N1043T1028-G1030 PolarHBondContact O-N 2.96Å; G1030-N1043 PolarHBondContact O-ND2 2.95Å
1031A69.9Low76.6Confident12 Ų1270 Ų7010%0.09938%0.38CS..PPolyproline II helixtrans-64.7136.4170.100000110.4C1027 T1028 N1029 N1043 C1051C1027-A1031 HydrophobicContact CB-CB 4.21Å; C1027-A1031 VanDerWaalsContact CB-O 3.31Å; C1027-A1031 WeakPolarHBondContact CB-O 3.4Å; T1028-A1031 PolarHBondContact O-N 2.85Å; T1028-A1031 VanDerWaalsContact O-N 3.14Å; N1029-A1031 VanDerWaalsContact C-N 3.29Å; N1029-A1031 PolarHBondContact O-N 3.02Å; A1031-N1043 PolarHBondContact N-ND2 2.04Å; A1031-C1051 HydrophobicContact CB-CB 3.7Å; A1031-C1051 VanDerWaalsContact CB-SG 3.53Å
1032E72.9Confident76.6Confident140 Ų14069.7 Ų69.765%0.65438%0.377SS*.EExtended strand (participates in β ladder)trans-82.3146.2172.2-64.9-169.1150.700109.7E1041E1032-E1041 PolarHBondContact O-N 3.34Å
1033C81.4Confident76.7Confident19 Ų1967.1 Ų67.113%0.12837%0.368CS..EExtended strand (participates in β ladder)trans-91.2145.8171.5400000110.3C1025 D1039C1025-C1033 HydrophobicContact CB-CB 3.59Å; C1025-C1033 WeakPolarHBondContact CB-SG 3.22Å; C1025-C1033 WeakPolarHBondContact SG-CB 3.26Å; C1025-C1033 CovalentContact SG-SG 2.02Å; C1025-C1033 PolarHBondContact SG-SG 3.28Å; C1033-D1039 CarbonylContact C-O 3.52Å; C1033-D1039 WeakPolarHBondContact CA-O 3.39Å
1034D81.4Confident77.1Confident60 Ų6066.7 Ų66.732%0.32137%0.366SS..PPolyproline II helixtrans-59.1126.9155.9173.3-91.9000109V1036 T1037 G1038 D1039D1034-V1036 VanDerWaalsContact C-N 3.27Å; D1034-V1036 PolarHBondContact O-N 3.35Å; D1034-V1036 WeakPolarHBondContact OD1-CA 3.18Å; D1034-V1036 VanDerWaalsContact OD1-CB 3.3Å; D1034-V1036 WeakPolarHBondContact OD1-CB 3.34Å; D1034-V1036 PolarHBondContact OD1-N 3.49Å; D1034-T1037 WeakPolarHBondContact CB-OG1 3.44Å; D1034-T1037 WeakPolarHBondContact OD1-CB 3.41Å; D1034-T1037 PolarHBondContact OD1-N 2.73Å; D1034-T1037 PolarHBondContact OD1-OG1 3.44Å; D1034-G1038 VanDerWaalsContact O-CA 3.29Å; D1034-G1038 WeakPolarHBondContact O-CA 3.03Å; D1034-G1038 PolarHBondContact O-N 3.44Å; D1034-D1039 PolarHBondContact N-O 3.19Å
1035P74.7Confident77.1Confident44 Ų4458.1 Ų58.129%0.28633%0.334SS..THydrogen-bonded Turntrans-75.2-17-17231.8-37.1000112.8G1002 C1012 Y1017 G1018G1002-P1035 VanDerWaalsContact CA-C 3.5Å; G1002-P1035 WeakPolarHBondContact CA-O 3.27Å; G1002-P1035 PolarHBondContact N-O 2.82Å; C1012-P1035 HydrophobicContact CB-CB 3.94Å; Y1017-P1035 CarbonylContact C-O 3.51Å; Y1017-P1035 WeakPolarHBondContact CA-O 3.16Å; Y1017-P1035 WeakPolarHBondContact CB-O 3.37Å; G1018-P1035 PolarHBondContact N-O 2.86Å
1036V81Confident77.2Confident73 Ų7360.8 Ų60.844%0.44234%0.343SS..THydrogen-bonded Turntrans-79.8-52179.7-170.10000109.8P1001 D1034P1001-V1036 HydrophobicContact CB-CG1 3.86Å; P1001-V1036 WeakPolarHBondContact CB-O 3.2Å; D1034-V1036 VanDerWaalsContact C-N 3.27Å; D1034-V1036 PolarHBondContact O-N 3.35Å; D1034-V1036 WeakPolarHBondContact OD1-CA 3.18Å; D1034-V1036 VanDerWaalsContact OD1-CB 3.3Å; D1034-V1036 WeakPolarHBondContact OD1-CB 3.34Å; D1034-V1036 PolarHBondContact OD1-N 3.49Å
1037T82.6Confident77.5Confident78 Ų7859.2 Ų59.248%0.47933%0.328SS..THydrogen-bonded Turntrans-99.1-30-168.957.90000113.9Y1017 D1034 D1039Y1017-T1037 VanDerWaalsContact CD2-C 3.47Å; Y1017-T1037 WeakPolarHBondContact CD2-O 3.24Å; Y1017-T1037 VanDerWaalsContact CE2-O 3.3Å; Y1017-T1037 WeakPolarHBondContact CE2-O 3.05Å; D1034-T1037 WeakPolarHBondContact CB-OG1 3.44Å; D1034-T1037 WeakPolarHBondContact OD1-CB 3.41Å; D1034-T1037 PolarHBondContact OD1-N 2.73Å; D1034-T1037 PolarHBondContact OD1-OG1 3.44Å; T1037-D1039 VanDerWaalsContact C-N 3.33Å; T1037-D1039 PolarHBondContact OG1-N 2.85Å
1038G79.1Confident77.3Confident11 Ų1159 Ų5911%0.11333%0.331CS..  trans85.6-2.7-17000000114.7Y1017 D1034 C1040Y1017-G1038 VanDerWaalsContact CD2-N 3.32Å; D1034-G1038 VanDerWaalsContact O-CA 3.29Å; D1034-G1038 WeakPolarHBondContact O-CA 3.03Å; D1034-G1038 PolarHBondContact O-N 3.44Å; G1038-C1040 PolarHBondContact O-N 2.02Å
1039D80.9Confident77.5Confident116 Ų11662.3 Ų62.362%0.6235%0.353SS*.  trans-62.5133.1179.1-84-26.2000111.1C1033 D1034 T1037C1033-D1039 CarbonylContact C-O 3.52Å; C1033-D1039 WeakPolarHBondContact CA-O 3.39Å; D1034-D1039 PolarHBondContact N-O 3.19Å; T1037-D1039 VanDerWaalsContact C-N 3.33Å; T1037-D1039 PolarHBondContact OG1-N 2.85Å
1040C82Confident78.1Confident24 Ų2459.9 Ų59.916%0.16234%0.344CS..EExtended strand (participates in β ladder)trans-86.2115.5-173.4-57.40000112C1027 G1038 C1042 P1049 C1051C1027-C1040 WeakPolarHBondContact CA-SG 3.22Å; C1027-C1040 HydrophobicContact CB-CB 3.83Å; C1027-C1040 WeakPolarHBondContact CB-SG 3.31Å; C1027-C1040 VanDerWaalsContact SG-CA 3.54Å; C1027-C1040 WeakPolarHBondContact SG-CB 3.48Å; C1027-C1040 CovalentContact SG-SG 2.03Å; C1027-C1040 PolarHBondContact SG-SG 3.11Å; G1038-C1040 PolarHBondContact O-N 2.02Å; C1040-C1042 PolarHBondContact O-N 3.25Å; C1040-P1049 PolarHBondContact SG-O 2.03Å; C1040-C1051 WeakPolarHBondContact CB-SG 3.02Å
1041E79.3Confident78.9Confident118 Ų11857 Ų5755%0.55131%0.314SS*.EExtended strand (participates in β ladder)trans-73.994.9167.4-84.2-122.911200109.5E1032 N1043 K1062E1032-E1041 PolarHBondContact O-N 3.34Å; E1041-N1043 PolarHBondContact O-N 3.15Å; E1041-K1062 IonicContact OE1-NZ 2.74Å; E1041-K1062 PolarHBondContact OE1-NZ 3Å; E1041-K1062 IonicContact OE2-NZ 3.69Å; E1041-K1062 PolarHBondContact OE2-NZ 2.79Å
1042C77.8Confident79.4Confident4 Ų459.5 Ų59.53%0.02733%0.326CS..PPolyproline II helixtrans-63.2125.6-178.5-56.30000112.3C1040 W1046 G1048 C1051 K1062C1040-C1042 PolarHBondContact O-N 3.25Å; C1042-W1046 HydrophobicContact CB-CB 4.23Å; C1042-W1046 WeakPolarHBondContact CB-O 3.35Å; C1042-G1048 PolarHBondContact SG-O 3.26Å; C1042-G1048 VanDerWaalsContact SG-O 3.4Å; C1042-C1051 WeakPolarHBondContact CA-SG 3.27Å; C1042-C1051 HydrophobicContact CB-CB 3.85Å; C1042-C1051 WeakPolarHBondContact CB-SG 3.35Å; C1042-C1051 PolarHBondContact N-SG 2.79Å; C1042-C1051 VanDerWaalsContact N-SG 3.43Å; C1042-C1051 WeakPolarHBondContact SG-CA 3.49Å; C1042-C1051 WeakPolarHBondContact SG-CB 3.15Å; C1042-C1051 CovalentContact SG-SG 2.04Å; C1042-C1051 PolarHBondContact SG-SG 2.84Å; C1042-K1062 WeakPolarHBondContact O-CE 3.23Å; C1042-K1062 WeakPolarHBondContact O-CG 3.23Å
1043N75.1Confident79.7Confident76 Ų7656.9 Ų56.941%0.40631%0.313SS..PPolyproline II helixtrans-57.2157169.7-71.3-38.2000111.1G1030 A1031 E1041 G1045 W1046G1030-N1043 PolarHBondContact O-ND2 2.95Å; A1031-N1043 PolarHBondContact N-ND2 2.04Å; E1041-N1043 PolarHBondContact O-N 3.15Å; N1043-G1045 PolarHBondContact O-N 2.86Å; N1043-W1046 PolarHBondContact O-N 3.19Å; N1043-W1046 VanDerWaalsContact O-N 3.15Å
1044E81.6Confident79.7Confident75 Ų7558.8 Ų58.835%0.3533%0.326SS..THydrogen-bonded Turntrans-54.2127.9175.6-58.7-147.1103.800110.6G1061 K1062 K1066 V1081E1044-G1061 WeakPolarHBondContact OE1-CA 3.47Å; E1044-K1062 HydrophobicContact CG-CB 4.15Å; E1044-K1062 PolarHBondContact OE1-N 2.79Å; E1044-K1062 VanDerWaalsContact OE1-N 3.08Å; E1044-K1066 IonicContact OE1-NZ 2.75Å; E1044-K1066 PolarHBondContact OE1-NZ 3.48Å; E1044-V1081 HydrophobicContact CB-CB 4.48Å; E1044-V1081 HydrophobicContact CB-CG1 3.77Å
1045G79.4Confident79.7Confident2 Ų256 Ų562%0.02131%0.31CS..THydrogen-bonded Turntrans103.8-8-175.300000116.6N1043 C1055 G1061 K1080N1043-G1045 PolarHBondContact O-N 2.86Å; G1045-C1055 VanDerWaalsContact CA-SG 3.52Å; G1045-C1055 PolarHBondContact O-N 3.21Å; G1045-C1055 PolarHBondContact O-SG 2.83Å; G1045-C1055 VanDerWaalsContact O-SG 3.32Å; G1045-G1061 PolarHBondContact N-O 3.42Å; G1045-G1061 VanDerWaalsContact N-O 3.17Å; G1045-K1080 VanDerWaalsContact CA-C 3.46Å; G1045-K1080 WeakPolarHBondContact CA-O 3.4Å; G1045-K1080 PolarHBondContact N-O 2.88Å
1046W80.1Confident80Confident70 Ų7057.3 Ų57.327%0.26532%0.321SS..EExtended strand (participates in β ladder)trans-126.8156.2-179-58.891.5000113N1029 C1042 N1043 C1051 Q1053 P1054N1029-W1046 HydrophobicContact CB-CD2 3.7Å; N1029-W1046 HydrophobicContact CB-CE3 4.08Å; N1029-W1046 HydrophobicContact CB-CG 4.17Å; N1029-W1046 HydrophobicContact CB-CH2 4.2Å; N1029-W1046 HydrophobicContact CB-CZ2 3.82Å; N1029-W1046 HydrophobicContact CB-CZ3 4.32Å; N1029-W1046 VanDerWaalsContact CG-CH2 3.41Å; N1029-W1046 VanDerWaalsContact CG-CZ3 3.48Å; N1029-W1046 WeakPolarHBondContact ND2-CZ3 3.4Å; N1029-W1046 WeakPolarHBondContact OD1-CH2 3.24Å; C1042-W1046 HydrophobicContact CB-CB 4.23Å; C1042-W1046 WeakPolarHBondContact CB-O 3.35Å; N1043-W1046 PolarHBondContact O-N 3.19Å; N1043-W1046 VanDerWaalsContact O-N 3.15Å; W1046-C1051 HydrophobicContact CB-CB 4.32Å; W1046-Q1053 CarbonylContact C-O 3.45Å; W1046-Q1053 WeakPolarHBondContact CA-O 3.28Å; W1046-P1054 HydrophobicContact CE3-CB 3.96Å; W1046-P1054 HydrophobicContact CH2-CB 4.13Å; W1046-P1054 HydrophobicContact CZ3-CB 3.68Å; W1046-P1054 HydrophobicContact CZ3-CG 4.14Å
1047Y83.5Confident79.7Confident102 Ų10259.6 Ų59.640%0.433%0.331SS..EExtended strand (participates in β ladder)trans-149.6-179.9171.380.4-79.7000110.9C1051 Q1053 P1054Y1047-C1051 CarbonylContact O-C 3.46Å; Y1047-C1051 WeakPolarHBondContact O-CA 3.11Å; Y1047-Q1053 HydrophobicContact CD1-CB 3.76Å; Y1047-Q1053 VanDerWaalsContact CD1-O 3.28Å; Y1047-Q1053 WeakPolarHBondContact CD1-O 3.13Å; Y1047-Q1053 HydrophobicContact CD2-CB 4.27Å; Y1047-Q1053 HydrophobicContact CE1-CB 3.44Å; Y1047-Q1053 VanDerWaalsContact CE1-CB 3.44Å; Y1047-Q1053 HydrophobicContact CE2-CB 3.97Å; Y1047-Q1053 HydrophobicContact CE2-CG 4.36Å; Y1047-Q1053 HydrophobicContact CG-CB 4.17Å; Y1047-Q1053 PolarHBondContact N-O 3.27Å; Y1047-Q1053 WeakPolarHBondContact O-CB 3.41Å; Y1047-Q1053 PolarHBondContact O-N 3.04Å; Y1047-Q1053 VanDerWaalsContact O-N 3.11Å; Y1047-Q1053 VanDerWaalsContact O-O 3.14Å; Y1047-P1054 WeakPolarHBondContact CE1-O 3.45Å
1048G75.7Confident79.5Confident24 Ų2456.6 Ų56.625%0.24732%0.315CS..SBendtrans94157.2-176.400000111.8C1042 A1050 C1051C1042-G1048 PolarHBondContact SG-O 3.26Å; C1042-G1048 VanDerWaalsContact SG-O 3.4Å; G1048-A1050 PolarHBondContact O-N 2.69Å; G1048-C1051 PolarHBondContact O-N 3.48Å
1049P77.6Confident79.8Confident122 Ų12257.1 Ų57.179%0.79232%0.316SS*.THydrogen-bonded Turntrans-65.3-23-171.126.5-34.8000113.8C1040C1040-P1049 PolarHBondContact SG-O 2.03Å
1050A79.4Confident80Confident27 Ų2754.3 Ų54.322%0.22330%0.297CS..THydrogen-bonded Turntrans-106.411.8172.800000112.9T1028 G1048 D1052T1028-A1050 PolarHBondContact N-O 3.38Å; T1028-A1050 PolarHBondContact OG1-O 3.48Å; G1048-A1050 PolarHBondContact O-N 2.69Å; A1050-D1052 HydrophobicContact CB-CB 4.34Å; A1050-D1052 PolarHBondContact O-N 3.43Å; A1050-D1052 VanDerWaalsContact O-N 3.16Å
1051C81.9Confident79.8Confident1 Ų153.2 Ų53.21%0.00729%0.289CS..SBendtrans51.530.8-171.6-53.30000114.2T1028 N1029 A1031 C1040 C1042 W1046 Y1047 G1048T1028-C1051 VanDerWaalsContact OG1-C 3.28Å; T1028-C1051 PolarHBondContact OG1-O 2.85Å; N1029-C1051 PolarHBondContact ND2-O 2.94Å; A1031-C1051 HydrophobicContact CB-CB 3.7Å; A1031-C1051 VanDerWaalsContact CB-SG 3.53Å; C1040-C1051 WeakPolarHBondContact CB-SG 3.02Å; C1042-C1051 WeakPolarHBondContact CA-SG 3.27Å; C1042-C1051 HydrophobicContact CB-CB 3.85Å; C1042-C1051 WeakPolarHBondContact CB-SG 3.35Å; C1042-C1051 PolarHBondContact N-SG 2.79Å; C1042-C1051 VanDerWaalsContact N-SG 3.43Å; C1042-C1051 WeakPolarHBondContact SG-CA 3.49Å; C1042-C1051 WeakPolarHBondContact SG-CB 3.15Å; C1042-C1051 CovalentContact SG-SG 2.04Å; C1042-C1051 PolarHBondContact SG-SG 2.84Å; W1046-C1051 HydrophobicContact CB-CB 4.32Å; Y1047-C1051 CarbonylContact O-C 3.46Å; Y1047-C1051 WeakPolarHBondContact O-CA 3.11Å; G1048-C1051 PolarHBondContact O-N 3.48Å
1052D79.8Confident79.6Confident64 Ų6451.6 Ų51.634%0.34228%0.281SS..  trans-84.4-20.1-174.460.1-63000113.2T1028 A1050T1028-D1052 VanDerWaalsContact OG1-CA 3.22Å; T1028-D1052 WeakPolarHBondContact OG1-CA 3.03Å; T1028-D1052 PolarHBondContact OG1-N 3.47Å; A1050-D1052 HydrophobicContact CB-CB 4.34Å; A1050-D1052 PolarHBondContact O-N 3.43Å; A1050-D1052 VanDerWaalsContact O-N 3.16Å
1053Q79.7Confident79.5Confident85 Ų8555.8 Ų55.840%0.39730%0.303SS..EExtended strand (participates in β ladder)trans-97.6119.9-177.9-56.5-63.3-5100110.6W1046 Y1047W1046-Q1053 CarbonylContact C-O 3.45Å; W1046-Q1053 WeakPolarHBondContact CA-O 3.28Å; Y1047-Q1053 HydrophobicContact CD1-CB 3.76Å; Y1047-Q1053 VanDerWaalsContact CD1-O 3.28Å; Y1047-Q1053 WeakPolarHBondContact CD1-O 3.13Å; Y1047-Q1053 HydrophobicContact CD2-CB 4.27Å; Y1047-Q1053 HydrophobicContact CE1-CB 3.44Å; Y1047-Q1053 VanDerWaalsContact CE1-CB 3.44Å; Y1047-Q1053 HydrophobicContact CE2-CB 3.97Å; Y1047-Q1053 HydrophobicContact CE2-CG 4.36Å; Y1047-Q1053 HydrophobicContact CG-CB 4.17Å; Y1047-Q1053 PolarHBondContact N-O 3.27Å; Y1047-Q1053 WeakPolarHBondContact O-CB 3.41Å; Y1047-Q1053 PolarHBondContact O-N 3.04Å; Y1047-Q1053 VanDerWaalsContact O-N 3.11Å; Y1047-Q1053 VanDerWaalsContact O-O 3.14Å
1054P81.5Confident79.7Confident59 Ų5953 Ų5338%0.38329%0.289SS..EExtended strand (participates in β ladder)trans-73.8148.5172.730.6-32.8000110.1W1046 Y1047 K1080W1046-P1054 HydrophobicContact CE3-CB 3.96Å; W1046-P1054 HydrophobicContact CH2-CB 4.13Å; W1046-P1054 HydrophobicContact CZ3-CB 3.68Å; W1046-P1054 HydrophobicContact CZ3-CG 4.14Å; Y1047-P1054 WeakPolarHBondContact CE1-O 3.45Å; P1054-K1080 HydrophobicContact CB-CD 4.38Å
1055C81.9Confident79.9Confident0 Ų055.2 Ų55.20%031%0.307CS..PPolyproline II helixtrans-49.3143.9-178.6-63.70000113.6G1045 C1064 K1080G1045-C1055 VanDerWaalsContact CA-SG 3.52Å; G1045-C1055 PolarHBondContact O-N 3.21Å; G1045-C1055 PolarHBondContact O-SG 2.83Å; G1045-C1055 VanDerWaalsContact O-SG 3.32Å; C1055-C1064 WeakPolarHBondContact CA-SG 3.31Å; C1055-C1064 HydrophobicContact CB-CB 3.7Å; C1055-C1064 WeakPolarHBondContact CB-SG 3.03Å; C1055-C1064 WeakPolarHBondContact SG-CA 3.31Å; C1055-C1064 WeakPolarHBondContact SG-CB 3.39Å; C1055-C1064 CovalentContact SG-SG 2.03Å; C1055-C1064 PolarHBondContact SG-SG 3.35Å; C1055-K1080 HydrophobicContact CB-CB 4.05Å; C1055-K1080 HydrophobicContact CB-CD 4.16Å; C1055-K1080 HydrophobicContact CB-CG 4.21Å; C1055-K1080 VanDerWaalsContact O-CD 3.3Å; C1055-K1080 WeakPolarHBondContact O-CD 3.38Å; C1055-K1080 VanDerWaalsContact O-CE 3.27Å; C1055-K1080 WeakPolarHBondContact O-CE 3.46Å; C1055-K1080 PolarHBondContact O-NZ 3.25Å
1056S80.2Confident80Confident72 Ų7259.3 Ų59.350%0.50333%0.325SS..PPolyproline II helixtrans-67.6145.6175.756.90000110.9G1058 T1059S1056-G1058 PolarHBondContact O-N 3.29Å; S1056-T1059 PolarHBondContact N-OG1 3.24Å; S1056-T1059 PolarHBondContact O-N 3.23Å; S1056-T1059 PolarHBondContact O-OG1 2.9Å; S1056-T1059 PolarHBondContact OG-OG1 2.83Å
1057D73.7Confident80.1Confident122 Ų12264.3 Ų64.365%0.65235%0.348SS*.THydrogen-bonded Turntrans-60132.1-171-68.6-19000111.6K1080D1057-K1080 VanDerWaalsContact OD1-CE 3.28Å; D1057-K1080 WeakPolarHBondContact OD1-CE 3.25Å; D1057-K1080 IonicContact OD1-NZ 2.6Å; D1057-K1080 PolarHBondContact OD1-NZ 3.33Å
1058G78.3Confident79.8Confident14 Ų1459.9 Ų59.914%0.14433%0.332CS..THydrogen-bonded Turntrans90.9-1.4-170.300000115.2S1056 K1067 C1068S1056-G1058 PolarHBondContact O-N 3.29Å; G1058-K1067 WeakPolarHBondContact O-CA 3.37Å; G1058-C1068 PolarHBondContact O-N 2.96Å
1059T85.9Confident80Confident23 Ų2365.3 Ų65.314%0.14136%0.355CS..EExtended strand (participates in β ladder)trans-119.7152.9174.968.80000113.4S1056 C1064 K1066S1056-T1059 PolarHBondContact N-OG1 3.24Å; S1056-T1059 PolarHBondContact O-N 3.23Å; S1056-T1059 PolarHBondContact O-OG1 2.9Å; S1056-T1059 PolarHBondContact OG-OG1 2.83Å; T1059-C1064 WeakPolarHBondContact CB-O 3.46Å; T1059-K1066 CarbonylContact C-O 3.55Å; T1059-K1066 VanDerWaalsContact CA-O 3.23Å; T1059-K1066 WeakPolarHBondContact CA-O 3.29Å
1060Y85.1Confident80Confident57 Ų5759.5 Ų59.522%0.22432%0.318CS..EExtended strand (participates in β ladder)trans-155171.2-174.482-88.4000114.8C1064 V1065 K1066 K1067 C1068 K1080 T1082 G1083Y1060-C1064 CarbonylContact O-C 3.13Å; Y1060-C1064 WeakPolarHBondContact O-CA 3.36Å; Y1060-V1065 PolarHBondContact O-N 2.8Å; Y1060-K1066 HydrophobicContact CD1-CB 3.49Å; Y1060-K1066 VanDerWaalsContact CD1-CB 3.49Å; Y1060-K1066 HydrophobicContact CD2-CB 4.01Å; Y1060-K1066 HydrophobicContact CD2-CD 3.71Å; Y1060-K1066 HydrophobicContact CD2-CG 4.49Å; Y1060-K1066 HydrophobicContact CE1-CB 3.32Å; Y1060-K1066 HydrophobicContact CE1-CD 4.33Å; Y1060-K1066 HydrophobicContact CE1-CG 4.43Å; Y1060-K1066 HydrophobicContact CE2-CB 3.88Å; Y1060-K1066 HydrophobicContact CE2-CD 3.29Å; Y1060-K1066 HydrophobicContact CE2-CG 4.22Å; Y1060-K1066 HydrophobicContact CG-CB 3.86Å; Y1060-K1066 HydrophobicContact CG-CD 4.42Å; Y1060-K1066 PolarHBondContact N-O 3.04Å; Y1060-K1066 WeakPolarHBondContact O-CB 3.24Å; Y1060-K1066 PolarHBondContact O-N 2.94Å; Y1060-K1067 WeakPolarHBondContact CE1-O 3.3Å; Y1060-C1068 VanDerWaalsContact CD1-SG 3.57Å; Y1060-K1080 CarbonylContact C-O 3.53Å; Y1060-K1080 WeakPolarHBondContact CA-O 3.47Å; Y1060-K1080 WeakPolarHBondContact CB-O 3.03Å; Y1060-T1082 VanDerWaalsContact CE2-C 3.46Å; Y1060-T1082 WeakPolarHBondContact CE2-O 3.22Å; Y1060-G1083 VanDerWaalsContact CD1-CA 3.46Å
1061G78.4Confident79.2Confident0 Ų061.2 Ų61.20%033%0.332CS..SBendtrans88.1-175.5174.500000113.7E1044 G1045 N1063 C1064 K1080 V1081E1044-G1061 WeakPolarHBondContact OE1-CA 3.47Å; G1045-G1061 PolarHBondContact N-O 3.42Å; G1045-G1061 VanDerWaalsContact N-O 3.17Å; G1061-N1063 PolarHBondContact O-N 2.94Å; G1061-C1064 PolarHBondContact O-N 3.44Å; G1061-K1080 PolarHBondContact N-O 2.03Å; G1061-V1081 PolarHBondContact N-O 2.99Å
1062K75.1Confident78.7Confident84 Ų8468.5 Ų68.537%0.36537%0.371SS..G310 helixtrans-56.5127.1175.8-149.5-173.9-170.5-178.80109.7E1041 C1042 E1044 C1064E1041-K1062 IonicContact OE1-NZ 2.74Å; E1041-K1062 PolarHBondContact OE1-NZ 3Å; E1041-K1062 IonicContact OE2-NZ 3.69Å; E1041-K1062 PolarHBondContact OE2-NZ 2.79Å; C1042-K1062 WeakPolarHBondContact O-CE 3.23Å; C1042-K1062 WeakPolarHBondContact O-CG 3.23Å; E1044-K1062 HydrophobicContact CG-CB 4.15Å; E1044-K1062 PolarHBondContact OE1-N 2.79Å; E1044-K1062 VanDerWaalsContact OE1-N 3.08Å; K1062-C1064 PolarHBondContact O-N 3.07Å; K1062-C1064 VanDerWaalsContact O-N 3.1Å
1063N74.9Confident78.2Confident92 Ų9267.2 Ų67.249%0.49237%0.365SS..G310 helixtrans51.327.4-174.4-59.8-10000114.7G1061 V1065G1061-N1063 PolarHBondContact O-N 2.94Å; N1063-V1065 VanDerWaalsContact C-N 3.25Å; N1063-V1065 HydrophobicContact CB-CG2 4.24Å; N1063-V1065 WeakPolarHBondContact O-CG2 3.29Å; N1063-V1065 PolarHBondContact O-N 3.41Å; N1063-V1065 VanDerWaalsContact O-N 3.12Å
1064C81.1Confident77.6Confident18 Ų1868.8 Ų68.812%0.12238%0.383CS..G310 helixtrans59.124.2171.5-47.30000116.2C1055 T1059 Y1060 G1061 K1062 K1066C1055-C1064 WeakPolarHBondContact CA-SG 3.31Å; C1055-C1064 HydrophobicContact CB-CB 3.7Å; C1055-C1064 WeakPolarHBondContact CB-SG 3.03Å; C1055-C1064 WeakPolarHBondContact SG-CA 3.31Å; C1055-C1064 WeakPolarHBondContact SG-CB 3.39Å; C1055-C1064 CovalentContact SG-SG 2.03Å; C1055-C1064 PolarHBondContact SG-SG 3.35Å; T1059-C1064 WeakPolarHBondContact CB-O 3.46Å; Y1060-C1064 CarbonylContact O-C 3.13Å; Y1060-C1064 WeakPolarHBondContact O-CA 3.36Å; G1061-C1064 PolarHBondContact O-N 3.44Å; K1062-C1064 PolarHBondContact O-N 3.07Å; K1062-C1064 VanDerWaalsContact O-N 3.1Å; C1064-K1066 PolarHBondContact O-N 3.25Å
1065V83.8Confident76.8Confident121 Ų12169.5 Ų69.573%0.73340%0.401SS*.  trans-75.1-21-170-173.80000113.6Y1060 N1063Y1060-V1065 PolarHBondContact O-N 2.8Å; N1063-V1065 VanDerWaalsContact C-N 3.25Å; N1063-V1065 HydrophobicContact CB-CG2 4.24Å; N1063-V1065 WeakPolarHBondContact O-CG2 3.29Å; N1063-V1065 PolarHBondContact O-N 3.41Å; N1063-V1065 VanDerWaalsContact O-N 3.12Å
1066K81.9Confident76.4Confident89 Ų8970.3 Ų70.339%0.38741%0.406SS..EExtended strand (participates in β ladder)trans-93.1150.4-174.3-51.8164.2-172.2161.80110.5E1044 T1059 Y1060 C1064E1044-K1066 IonicContact OE1-NZ 2.75Å; E1044-K1066 PolarHBondContact OE1-NZ 3.48Å; T1059-K1066 CarbonylContact C-O 3.55Å; T1059-K1066 VanDerWaalsContact CA-O 3.23Å; T1059-K1066 WeakPolarHBondContact CA-O 3.29Å; Y1060-K1066 HydrophobicContact CD1-CB 3.49Å; Y1060-K1066 VanDerWaalsContact CD1-CB 3.49Å; Y1060-K1066 HydrophobicContact CD2-CB 4.01Å; Y1060-K1066 HydrophobicContact CD2-CD 3.71Å; Y1060-K1066 HydrophobicContact CD2-CG 4.49Å; Y1060-K1066 HydrophobicContact CE1-CB 3.32Å; Y1060-K1066 HydrophobicContact CE1-CD 4.33Å; Y1060-K1066 HydrophobicContact CE1-CG 4.43Å; Y1060-K1066 HydrophobicContact CE2-CB 3.88Å; Y1060-K1066 HydrophobicContact CE2-CD 3.29Å; Y1060-K1066 HydrophobicContact CE2-CG 4.22Å; Y1060-K1066 HydrophobicContact CG-CB 3.86Å; Y1060-K1066 HydrophobicContact CG-CD 4.42Å; Y1060-K1066 PolarHBondContact N-O 3.04Å; Y1060-K1066 WeakPolarHBondContact O-CB 3.24Å; Y1060-K1066 PolarHBondContact O-N 2.94Å; C1064-K1066 PolarHBondContact O-N 3.25Å
1067K82.5Confident76Confident175 Ų17569 Ų6976%0.76140%0.397SS*.EExtended strand (participates in β ladder)trans-110.6144.5176.5-79.7-169.6174.1-170.70112.7G1058 Y1060G1058-K1067 WeakPolarHBondContact O-CA 3.37Å; Y1060-K1067 WeakPolarHBondContact CE1-O 3.3Å
1068C76.7Confident76.4Confident8 Ų863.4 Ų63.45%0.05437%0.367CS..  trans-89.9136.9-176-54.80000113.4G1058 Y1060 C1070 A1071 C1078G1058-C1068 PolarHBondContact O-N 2.96Å; Y1060-C1068 VanDerWaalsContact CD1-SG 3.57Å; C1068-C1070 VanDerWaalsContact C-N 3.27Å; C1068-C1070 PolarHBondContact O-N 3.46Å; C1068-A1071 WeakPolarHBondContact O-CB 3.05Å; C1068-A1071 PolarHBondContact O-N 2.65Å; C1068-C1078 HydrophobicContact CB-CB 3.52Å; C1068-C1078 WeakPolarHBondContact CB-SG 3.05Å; C1068-C1078 WeakPolarHBondContact SG-CB 3.33Å; C1068-C1078 CovalentContact SG-SG 2.02Å; C1068-C1078 PolarHBondContact SG-SG 3.04Å
1069N81.1Confident76.3Confident138 Ų13864.8 Ų64.874%0.73837%0.371SS*.G310 helixtrans-64.2-24.6-179.8-88.321.1000114.7A1071N1069-A1071 VanDerWaalsContact C-N 3.32Å
1070C77.2Confident76Confident1 Ų166.3 Ų66.31%0.00738%0.376CS..G310 helixtrans-84.73.8178.236.60000114.4C1068 D1072 V1073 V1076 C1085C1068-C1070 VanDerWaalsContact C-N 3.27Å; C1068-C1070 PolarHBondContact O-N 3.46Å; C1070-D1072 PolarHBondContact O-N 2.67Å; C1070-V1073 PolarHBondContact O-N 2.02Å; C1070-V1076 HydrophobicContact CB-CB 4.42Å; C1070-V1076 HydrophobicContact CB-CG1 3.74Å; C1070-C1085 HydrophobicContact CB-CB 3.78Å; C1070-C1085 WeakPolarHBondContact CB-SG 3.35Å; C1070-C1085 WeakPolarHBondContact SG-CA 3Å; C1070-C1085 WeakPolarHBondContact SG-CB 3.4Å; C1070-C1085 CovalentContact SG-SG 2.03Å; C1070-C1085 PolarHBondContact SG-SG 3.14Å
1071A62.5Low75.6Confident63 Ų6366.8 Ų66.852%0.52138%0.384SS..G310 helixtrans-58-23-17700000114C1068 N1069C1068-A1071 WeakPolarHBondContact O-CB 3.05Å; C1068-A1071 PolarHBondContact O-N 2.65Å; N1069-A1071 VanDerWaalsContact C-N 3.32Å
1072D71.8Confident75.7Confident154 Ų15470.5 Ų70.582%0.82441%0.407SS*.G310 helixtrans-85.5-3.6177.3-63.1-40.1000114.1C1070 P1074C1070-D1072 PolarHBondContact O-N 2.67Å; D1072-P1074 WeakPolarHBondContact O-CD 3.42Å
1073V68.8Low75.9Confident36 Ų3667 Ų6722%0.21840%0.395CS..SBendtrans-100.5109.2-177-170.50000110.8C1070 G1075 V1076C1070-V1073 PolarHBondContact O-N 2.02Å; V1073-G1075 PolarHBondContact O-N 2.89Å; V1073-V1076 HydrophobicContact CB-CB 4.15Å; V1073-V1076 HydrophobicContact CB-CG2 3.91Å; V1073-V1076 HydrophobicContact CG1-CB 4.34Å; V1073-V1076 HydrophobicContact CG1-CG2 3.55Å; V1073-V1076 PolarHBondContact O-N 3.47Å; V1073-V1076 VanDerWaalsContact O-N 3.1Å
1074P67.2Low76.2Confident119 Ų11971.7 Ų71.777%0.77341%0.406SS*.THydrogen-bonded Turntrans-59.6125.6-173.5-26.335.6000113.4D1072D1072-P1074 WeakPolarHBondContact O-CD 3.42Å
1075G65.8Low76.1Confident74 Ų7471.6 Ų71.676%0.76341%0.405SS*.THydrogen-bonded Turntrans82.24.7179.300000115.3V1073V1073-G1075 PolarHBondContact O-N 2.89Å
1076V72.3Confident75.8Confident17 Ų1768.9 Ų68.910%0.10339%0.386CS..  trans-95.6128.3167.3-177.50000108.1C1070 V1073 C1085 P1088 C1096C1070-V1076 HydrophobicContact CB-CB 4.42Å; C1070-V1076 HydrophobicContact CB-CG1 3.74Å; V1073-V1076 HydrophobicContact CB-CB 4.15Å; V1073-V1076 HydrophobicContact CB-CG2 3.91Å; V1073-V1076 HydrophobicContact CG1-CB 4.34Å; V1073-V1076 HydrophobicContact CG1-CG2 3.55Å; V1073-V1076 PolarHBondContact O-N 3.47Å; V1073-V1076 VanDerWaalsContact O-N 3.1Å; V1076-C1085 HydrophobicContact CG1-CB 4.46Å; V1076-P1088 HydrophobicContact CG2-CG 4.26Å; V1076-C1096 HydrophobicContact CG1-CB 3.86Å; V1076-C1096 HydrophobicContact CG2-CB 3.9Å
1077S72.1Confident75.7Confident45 Ų4565.2 Ų65.232%0.31537%0.371SS..EExtended strand (participates in β ladder)trans-107.1171.2169.7-164.80000109.9I1086S1077-I1086 PolarHBondContact O-N 3.31Å
1078C81.7Confident75.2Confident4 Ų458.9 Ų58.93%0.02735%0.348CS..EExtended strand (participates in β ladder)trans-118.3153.2172.554.10000111C1068 K1080 R1084C1068-C1078 HydrophobicContact CB-CB 3.52Å; C1068-C1078 WeakPolarHBondContact CB-SG 3.05Å; C1068-C1078 WeakPolarHBondContact SG-CB 3.33Å; C1068-C1078 CovalentContact SG-SG 2.02Å; C1068-C1078 PolarHBondContact SG-SG 3.04Å; C1078-K1080 PolarHBondContact O-N 2.85Å; C1078-R1084 CarbonylContact C-O 3.51Å; C1078-R1084 WeakPolarHBondContact CA-O 3.03Å
1079D77.3Confident75.3Confident43 Ų4361.1 Ų61.123%0.2336%0.363CS..  trans-58.6119167.8175.25000109.1V1081 T1082 G1083 R1084 I1086D1079-V1081 PolarHBondContact O-N 2.9Å; D1079-V1081 WeakPolarHBondContact OD1-CA 3.39Å; D1079-V1081 VanDerWaalsContact OD1-CB 3.26Å; D1079-V1081 WeakPolarHBondContact OD1-CB 3.32Å; D1079-V1081 WeakPolarHBondContact OD1-CG2 3.33Å; D1079-V1081 PolarHBondContact OD1-N 2.7Å; D1079-T1082 PolarHBondContact OD1-N 3.31Å; D1079-T1082 VanDerWaalsContact OD2-CB 3.27Å; D1079-T1082 WeakPolarHBondContact OD2-CB 2.99Å; D1079-T1082 VanDerWaalsContact OD2-CG2 3.23Å; D1079-T1082 WeakPolarHBondContact OD2-CG2 3.44Å; D1079-T1082 PolarHBondContact OD2-N 3.29Å; D1079-T1082 PolarHBondContact OD2-OG1 3.14Å; D1079-G1083 WeakPolarHBondContact O-CA 3.44Å; D1079-G1083 PolarHBondContact O-N 3.01Å; D1079-R1084 HydrophobicContact CB-CB 4.43Å; D1079-R1084 PolarHBondContact N-O 3.36Å; D1079-I1086 HydrophobicContact CB-CD1 4.03Å; D1079-I1086 HydrophobicContact CB-CG1 4.19Å
1080K78.4Confident75.3Confident55 Ų5554.7 Ų54.724%0.23933%0.329CS..THydrogen-bonded Turntrans-67.7-24-177.9-59.1-174.6178-159.70111.2G1045 P1054 C1055 D1057 Y1060 G1061 C1078G1045-K1080 VanDerWaalsContact CA-C 3.46Å; G1045-K1080 WeakPolarHBondContact CA-O 3.4Å; G1045-K1080 PolarHBondContact N-O 2.88Å; P1054-K1080 HydrophobicContact CB-CD 4.38Å; C1055-K1080 HydrophobicContact CB-CB 4.05Å; C1055-K1080 HydrophobicContact CB-CD 4.16Å; C1055-K1080 HydrophobicContact CB-CG 4.21Å; C1055-K1080 VanDerWaalsContact O-CD 3.3Å; C1055-K1080 WeakPolarHBondContact O-CD 3.38Å; C1055-K1080 VanDerWaalsContact O-CE 3.27Å; C1055-K1080 WeakPolarHBondContact O-CE 3.46Å; C1055-K1080 PolarHBondContact O-NZ 3.25Å; D1057-K1080 VanDerWaalsContact OD1-CE 3.28Å; D1057-K1080 WeakPolarHBondContact OD1-CE 3.25Å; D1057-K1080 IonicContact OD1-NZ 2.6Å; D1057-K1080 PolarHBondContact OD1-NZ 3.33Å; Y1060-K1080 CarbonylContact C-O 3.53Å; Y1060-K1080 WeakPolarHBondContact CA-O 3.47Å; Y1060-K1080 WeakPolarHBondContact CB-O 3.03Å; G1061-K1080 PolarHBondContact N-O 2.03Å; C1078-K1080 PolarHBondContact O-N 2.85Å
1081V77.3Confident75.6Confident66 Ų6658.7 Ų58.740%0.434%0.344SS..THydrogen-bonded Turntrans-75.6-67.9172.5-167.20000109.7E1044 G1061 D1079E1044-V1081 HydrophobicContact CB-CB 4.48Å; E1044-V1081 HydrophobicContact CB-CG1 3.77Å; G1061-V1081 PolarHBondContact N-O 2.99Å; D1079-V1081 PolarHBondContact O-N 2.9Å; D1079-V1081 WeakPolarHBondContact OD1-CA 3.39Å; D1079-V1081 VanDerWaalsContact OD1-CB 3.26Å; D1079-V1081 WeakPolarHBondContact OD1-CB 3.32Å; D1079-V1081 WeakPolarHBondContact OD1-CG2 3.33Å; D1079-V1081 PolarHBondContact OD1-N 2.7Å
1082T80.3Confident76.5Confident78 Ų7857.5 Ų57.548%0.47933%0.33SS..THydrogen-bonded Turntrans-93.6-14-166.570.70000115.9Y1060 D1079 R1084Y1060-T1082 VanDerWaalsContact CE2-C 3.46Å; Y1060-T1082 WeakPolarHBondContact CE2-O 3.22Å; D1079-T1082 PolarHBondContact OD1-N 3.31Å; D1079-T1082 VanDerWaalsContact OD2-CB 3.27Å; D1079-T1082 WeakPolarHBondContact OD2-CB 2.99Å; D1079-T1082 VanDerWaalsContact OD2-CG2 3.23Å; D1079-T1082 WeakPolarHBondContact OD2-CG2 3.44Å; D1079-T1082 PolarHBondContact OD2-N 3.29Å; D1079-T1082 PolarHBondContact OD2-OG1 3.14Å; T1082-R1084 PolarHBondContact O-N 2.79Å; T1082-R1084 WeakPolarHBondContact OG1-CB 3.37Å; T1082-R1084 PolarHBondContact OG1-N 2.88Å
1083G78.5Confident76.9Confident11 Ų1151.2 Ų51.211%0.11330%0.302CS..  trans75.90.9-174.300000114.7Y1060 D1079 C1085Y1060-G1083 VanDerWaalsContact CD1-CA 3.46Å; D1079-G1083 WeakPolarHBondContact O-CA 3.44Å; D1079-G1083 PolarHBondContact O-N 3.01Å; G1083-C1085 PolarHBondContact O-N 2.99Å
1084R81.5Confident77.2Confident191 Ų19157.1 Ų57.172%0.72133%0.332SS*.  trans-62.2133.1174.7-179179.1176.6-177.5-2.5109.8C1078 D1079 T1082 I1086C1078-R1084 CarbonylContact C-O 3.51Å; C1078-R1084 WeakPolarHBondContact CA-O 3.03Å; D1079-R1084 HydrophobicContact CB-CB 4.43Å; D1079-R1084 PolarHBondContact N-O 3.36Å; T1082-R1084 PolarHBondContact O-N 2.79Å; T1082-R1084 WeakPolarHBondContact OG1-CB 3.37Å; T1082-R1084 PolarHBondContact OG1-N 2.88Å; R1084-I1086 PolarHBondContact O-N 2.04Å
1085C80.2Confident77.8Confident15 Ų1556.4 Ų56.410%0.10132%0.318CS..EExtended strand (participates in β ladder)trans-65.5119.8174.2-62.30000110.6C1070 V1076 G1083 C1087 N1094C1070-C1085 HydrophobicContact CB-CB 3.78Å; C1070-C1085 WeakPolarHBondContact CB-SG 3.35Å; C1070-C1085 WeakPolarHBondContact SG-CA 3Å; C1070-C1085 WeakPolarHBondContact SG-CB 3.4Å; C1070-C1085 CovalentContact SG-SG 2.03Å; C1070-C1085 PolarHBondContact SG-SG 3.14Å; V1076-C1085 HydrophobicContact CG1-CB 4.46Å; G1083-C1085 PolarHBondContact O-N 2.99Å; C1085-C1087 PolarHBondContact O-N 3.41Å; C1085-N1094 WeakPolarHBondContact CB-O 3.02Å
1086I76.9Confident78.4Confident65 Ų6552.9 Ų52.933%0.33328%0.282SS..EExtended strand (participates in β ladder)trans-84.598.6176.5-66.8173.9000106.1S1077 D1079 R1084 P1088 E1107S1077-I1086 PolarHBondContact O-N 3.31Å; D1079-I1086 HydrophobicContact CB-CD1 4.03Å; D1079-I1086 HydrophobicContact CB-CG1 4.19Å; R1084-I1086 PolarHBondContact O-N 2.04Å; I1086-P1088 VanDerWaalsContact O-CD 3.25Å; I1086-P1088 WeakPolarHBondContact O-CD 3.41Å; I1086-E1107 HydrophobicContact CG2-CG 4.29Å
1087C79.5Confident78.8Confident12 Ų1255.4 Ų55.48%0.08130%0.301CS..  trans-72.3111.7-177.5-58.70000109.7C1085 R1091 G1093 C1096 E1107 G1108C1085-C1087 PolarHBondContact O-N 3.41Å; C1087-R1091 HydrophobicContact CB-CB 4.42Å; C1087-R1091 VanDerWaalsContact CB-O 3.32Å; C1087-R1091 WeakPolarHBondContact CB-O 3.49Å; C1087-G1093 PolarHBondContact SG-O 3.42Å; C1087-G1093 VanDerWaalsContact SG-O 3.33Å; C1087-C1096 WeakPolarHBondContact CA-SG 3.03Å; C1087-C1096 HydrophobicContact CB-CB 3.57Å; C1087-C1096 WeakPolarHBondContact CB-SG 3.11Å; C1087-C1096 PolarHBondContact N-SG 3.5Å; C1087-C1096 VanDerWaalsContact N-SG 3.4Å; C1087-C1096 WeakPolarHBondContact SG-CA 3.02Å; C1087-C1096 WeakPolarHBondContact SG-CB 3.05Å; C1087-C1096 CovalentContact SG-SG 2.04Å; C1087-C1096 PolarHBondContact SG-SG 2.9Å; C1087-E1107 VanDerWaalsContact O-CG 3.26Å; C1087-E1107 WeakPolarHBondContact O-CG 3.38Å; C1087-G1108 PolarHBondContact O-N 2.82Å
1088P73.4Confident79.3Confident41 Ų4159 Ų5927%0.26631%0.313SS..  trans-57.8147.8-17725.8-34.7000109.2V1076 I1086 G1090 R1091V1076-P1088 HydrophobicContact CG2-CG 4.26Å; I1086-P1088 VanDerWaalsContact O-CD 3.25Å; I1086-P1088 WeakPolarHBondContact O-CD 3.41Å; P1088-G1090 PolarHBondContact O-N 2.8Å; P1088-R1091 PolarHBondContact O-N 3.04Å; P1088-R1091 VanDerWaalsContact O-N 3.08Å
1089P78.6Confident79.1Confident56 Ų5665.1 Ų65.136%0.36434%0.344SS..THydrogen-bonded Turntrans-51.8135.3-170.1-28.835.2000112.5G1106 E1107 I1124P1089-G1106 WeakPolarHBondContact CA-O 3.05Å; P1089-E1107 HydrophobicContact CG-CB 4.45Å; P1089-I1124 HydrophobicContact CB-CG2 3.92Å; P1089-I1124 WeakPolarHBondContact CB-O 3.36Å; P1089-I1124 WeakPolarHBondContact O-CG1 3.31Å; P1089-I1124 WeakPolarHBondContact O-CG2 3.49Å
1090G80.7Confident79.3Confident3 Ų363.9 Ų63.93%0.03134%0.338CS..THydrogen-bonded Turntrans96.8-5-172.100000115.4P1088 L1099 C1100 G1106 P1123P1088-G1090 PolarHBondContact O-N 2.8Å; G1090-L1099 WeakPolarHBondContact O-CA 3.47Å; G1090-C1100 WeakPolarHBondContact CA-SG 3.39Å; G1090-C1100 PolarHBondContact O-N 3.3Å; G1090-G1106 PolarHBondContact N-O 3.29Å; G1090-P1123 WeakPolarHBondContact CA-O 3.05Å; G1090-P1123 PolarHBondContact N-O 3Å; G1090-P1123 VanDerWaalsContact N-O 3.15Å
1091R82.9Confident79.5Confident85 Ų8564.8 Ų64.832%0.32135%0.35SS..EExtended strand (participates in β ladder)trans-124.7154.5178.3-66.7-177.8121.6165.2-1114.1C1087 P1088 C1096 E1098 L1099 G1108 C1109C1087-R1091 HydrophobicContact CB-CB 4.42Å; C1087-R1091 VanDerWaalsContact CB-O 3.32Å; C1087-R1091 WeakPolarHBondContact CB-O 3.49Å; P1088-R1091 PolarHBondContact O-N 3.04Å; P1088-R1091 VanDerWaalsContact O-N 3.08Å; R1091-C1096 VanDerWaalsContact CD-O 3.3Å; R1091-C1096 WeakPolarHBondContact CD-O 3.35Å; R1091-C1096 PolarHBondContact NE-O 2.04Å; R1091-E1098 CarbonylContact C-O 3.35Å; R1091-E1098 WeakPolarHBondContact CA-O 3.38Å; R1091-E1098 WeakPolarHBondContact CB-O 3.41Å; R1091-L1099 HydrophobicContact CG-CD2 4.42Å; R1091-G1108 CarbonylContact O-C 3.27Å; R1091-G1108 VanDerWaalsContact O-CA 3.32Å; R1091-G1108 WeakPolarHBondContact O-CA 3.3Å; R1091-C1109 VanDerWaalsContact C-SG 3.57Å; R1091-C1109 PolarHBondContact O-SG 3.4Å
1092T82.4Confident79.5Confident38 Ų3867.7 Ų67.723%0.23337%0.373CS..EExtended strand (participates in β ladder)trans-150.1-173.4177.6-162.10000111.9C1096 S1097 E1098 G1108T1092-C1096 CarbonylContact O-C 3.33Å; T1092-C1096 VanDerWaalsContact O-CA 3.3Å; T1092-C1096 WeakPolarHBondContact O-CA 3.41Å; T1092-S1097 PolarHBondContact O-N 3.09Å; T1092-E1098 HydrophobicContact CG2-CB 4.07Å; T1092-E1098 PolarHBondContact N-O 2.99Å; T1092-E1098 PolarHBondContact O-N 3.26Å; T1092-E1098 VanDerWaalsContact O-N 3.07Å; T1092-G1108 PolarHBondContact OG1-O 2.76Å; T1092-G1108 VanDerWaalsContact OG1-O 3.11Å
1093G78.6Confident79.5Confident22 Ų2265.4 Ų65.423%0.22737%0.366CS..SBendtrans84159.6-168.300000112.4C1087 E1095 C1096C1087-G1093 PolarHBondContact SG-O 3.42Å; C1087-G1093 VanDerWaalsContact SG-O 3.33Å; G1093-E1095 PolarHBondContact O-N 3.35Å; G1093-C1096 PolarHBondContact O-N 3.27Å
1094N75.7Confident79.7Confident159 Ų15969.2 Ų69.285%0.8538%0.379SS*.THydrogen-bonded Turntrans-61.6-28-172.3-68-11.7000114.2C1085C1085-N1094 WeakPolarHBondContact CB-O 3.02Å
1095E79.4Confident79.9Confident104 Ų10462.7 Ų62.749%0.48636%0.355SS..THydrogen-bonded Turntrans-105.18.1178-66.2166-173.200111.8G1093 S1097G1093-E1095 PolarHBondContact O-N 3.35Å; E1095-S1097 PolarHBondContact O-N 2.79Å
1096C78.3Confident79.6Confident0 Ų062.2 Ų62.20%035%0.352CS..SBendtrans58.229.3-179.3-49.70000114.3V1076 C1087 R1091 T1092 G1093V1076-C1096 HydrophobicContact CG1-CB 3.86Å; V1076-C1096 HydrophobicContact CG2-CB 3.9Å; C1087-C1096 WeakPolarHBondContact CA-SG 3.03Å; C1087-C1096 HydrophobicContact CB-CB 3.57Å; C1087-C1096 WeakPolarHBondContact CB-SG 3.11Å; C1087-C1096 PolarHBondContact N-SG 3.5Å; C1087-C1096 VanDerWaalsContact N-SG 3.4Å; C1087-C1096 WeakPolarHBondContact SG-CA 3.02Å; C1087-C1096 WeakPolarHBondContact SG-CB 3.05Å; C1087-C1096 CovalentContact SG-SG 2.04Å; C1087-C1096 PolarHBondContact SG-SG 2.9Å; R1091-C1096 VanDerWaalsContact CD-O 3.3Å; R1091-C1096 WeakPolarHBondContact CD-O 3.35Å; R1091-C1096 PolarHBondContact NE-O 2.04Å; T1092-C1096 CarbonylContact O-C 3.33Å; T1092-C1096 VanDerWaalsContact O-CA 3.3Å; T1092-C1096 WeakPolarHBondContact O-CA 3.41Å; G1093-C1096 PolarHBondContact O-N 3.27Å
1097S81.2Confident79.6Confident71 Ų7164.4 Ų64.450%0.49736%0.361SS..  trans-87.3-21.3-175.2440000113.8T1092 E1095T1092-S1097 PolarHBondContact O-N 3.09Å; E1095-S1097 PolarHBondContact O-N 2.79Å
1098E82Confident79.5Confident121 Ų12165.2 Ų65.257%0.56537%0.371SS*.EExtended strand (participates in β ladder)trans-90.9156.6179.8-60.7-178.2-179.600112R1091 T1092R1091-E1098 CarbonylContact C-O 3.35Å; R1091-E1098 WeakPolarHBondContact CA-O 3.38Å; R1091-E1098 WeakPolarHBondContact CB-O 3.41Å; T1092-E1098 HydrophobicContact CG2-CB 4.07Å; T1092-E1098 PolarHBondContact N-O 2.99Å; T1092-E1098 PolarHBondContact O-N 3.26Å; T1092-E1098 VanDerWaalsContact O-N 3.07Å
1099L79Confident80Confident131 Ų13163.9 Ų63.969%0.68636%0.362SS*.EExtended strand (participates in β ladder)trans-94.4155.7172.9-69.4171.4000110.8G1090 R1091G1090-L1099 WeakPolarHBondContact O-CA 3.47Å; R1091-L1099 HydrophobicContact CG-CD2 4.42Å
1100C80.8Confident80Confident17 Ų1765.6 Ų65.612%0.11538%0.376CS..PPolyproline II helixtrans-59.3134.2177.2-62.90000113.2G1090 F1104 C1109 P1123G1090-C1100 WeakPolarHBondContact CA-SG 3.39Å; G1090-C1100 PolarHBondContact O-N 3.3Å; C1100-F1104 WeakPolarHBondContact CB-O 3.28Å; C1100-C1109 WeakPolarHBondContact CA-SG 3.35Å; C1100-C1109 HydrophobicContact CB-CB 3.75Å; C1100-C1109 WeakPolarHBondContact CB-SG 3.48Å; C1100-C1109 VanDerWaalsContact SG-CA 3.57Å; C1100-C1109 WeakPolarHBondContact SG-CB 3.19Å; C1100-C1109 CovalentContact SG-SG 2.02Å; C1100-C1109 PolarHBondContact SG-SG 3.01Å; C1100-P1123 HydrophobicContact CB-CB 3.77Å
1101P81.8Confident80Confident75 Ų7570.7 Ų70.749%0.48739%0.394SS..PPolyproline II helixtrans-59147.9168.9-22.733.4000111.8G1103 F1104P1101-G1103 PolarHBondContact O-N 2.04Å; P1101-F1104 HydrophobicContact CB-CD2 4.12Å; P1101-F1104 PolarHBondContact O-N 2.8Å
1102S79Confident79.9Confident126 Ų12671.1 Ų71.188%0.88141%0.406SS*.THydrogen-bonded Turntrans-56124.1177.2-530000111.2
1103G80.1Confident79.7Confident31 Ų3170.8 Ų70.832%0.3241%0.405SS..THydrogen-bonded Turntrans102.1-5-172.400000114.5P1101 T1112 C1113P1101-G1103 PolarHBondContact O-N 2.04Å; G1103-T1112 CarbonylContact O-C 3.46Å; G1103-T1112 WeakPolarHBondContact O-CA 3.32Å; G1103-T1112 VanDerWaalsContact O-CG2 3.28Å; G1103-T1112 WeakPolarHBondContact O-CG2 3.31Å; G1103-C1113 VanDerWaalsContact CA-SG 3.51Å; G1103-C1113 PolarHBondContact O-N 2.03Å
1104F82.7Confident79.7Confident90 Ų9073.5 Ų73.540%0.39543%0.425SS..EExtended strand (participates in β ladder)trans-125151.1178.9-64.2-93.9000112.5C1100 P1101 C1109 R1111 T1112C1100-F1104 WeakPolarHBondContact CB-O 3.28Å; P1101-F1104 HydrophobicContact CB-CD2 4.12Å; P1101-F1104 PolarHBondContact O-N 2.8Å; F1104-C1109 HydrophobicContact CB-CB 4.22Å; F1104-R1111 CarbonylContact C-O 3.49Å; F1104-R1111 VanDerWaalsContact CA-O 3.27Å; F1104-R1111 WeakPolarHBondContact CA-O 3.47Å; F1104-T1112 HydrophobicContact CE1-CG2 4.34Å
1105W85.8Confident80Confident55 Ų5567 Ų6721%0.20839%0.393CS..EExtended strand (participates in β ladder)trans-153.4175.5-177.471.3-83.9000112.9C1109 S1110 R1111 T1112 C1121 P1123 T1125 G1126W1105-C1109 CarbonylContact O-C 3.56Å; W1105-C1109 VanDerWaalsContact O-C 3.29Å; W1105-C1109 WeakPolarHBondContact O-CA 3.13Å; W1105-S1110 PolarHBondContact O-N 3.4Å; W1105-R1111 HydrophobicContact CD2-CB 3.92Å; W1105-R1111 HydrophobicContact CG-CB 4.16Å; W1105-R1111 HydrophobicContact CZ2-CB 4.1Å; W1105-R1111 HydrophobicContact CZ2-CG 4.5Å; W1105-R1111 PolarHBondContact N-O 3.28Å; W1105-R1111 PolarHBondContact O-N 2.64Å; W1105-T1112 PolarHBondContact NE1-O 2.81Å; W1105-C1121 VanDerWaalsContact CD1-SG 3.51Å; W1105-P1123 CarbonylContact C-O 3.15Å; W1105-P1123 WeakPolarHBondContact CA-O 3.21Å; W1105-P1123 WeakPolarHBondContact CB-O 3.39Å; W1105-T1125 WeakPolarHBondContact CZ3-O 3.3Å; W1105-G1126 VanDerWaalsContact CE3-N 3.26Å
1106G73.3Confident79.9Confident4 Ų466.2 Ų66.24%0.04139%0.391CS..SBendtrans85.4-172.9172.700000112.5P1089 G1090 G1108 C1109 P1123P1089-G1106 WeakPolarHBondContact CA-O 3.05Å; G1090-G1106 PolarHBondContact N-O 3.29Å; G1106-G1108 PolarHBondContact O-N 2.63Å; G1106-C1109 PolarHBondContact O-N 3.47Å; G1106-P1123 PolarHBondContact N-O 3.28Å
1107E76.4Confident79.5Confident112 Ų11274 Ų7452%0.52342%0.42SS..G310 helixtrans-60.1128.7178.8-161-172.7122.100110.7I1086 C1087 P1089 C1109 S1110I1086-E1107 HydrophobicContact CG2-CG 4.29Å; C1087-E1107 VanDerWaalsContact O-CG 3.26Å; C1087-E1107 WeakPolarHBondContact O-CG 3.38Å; P1089-E1107 HydrophobicContact CG-CB 4.45Å; E1107-C1109 PolarHBondContact O-N 3.13Å; E1107-S1110 WeakPolarHBondContact O-CB 3.3Å; E1107-S1110 PolarHBondContact O-N 3.05Å; E1107-S1110 VanDerWaalsContact O-N 3.11Å; E1107-S1110 PolarHBondContact O-OG 2.69Å
1108G77.2Confident78.9Confident29 Ų2974.1 Ų74.130%0.29943%0.433SS..G310 helixtrans59.610.2-173.800000115.6C1087 R1091 T1092 G1106 S1110C1087-G1108 PolarHBondContact O-N 2.82Å; R1091-G1108 CarbonylContact O-C 3.27Å; R1091-G1108 VanDerWaalsContact O-CA 3.32Å; R1091-G1108 WeakPolarHBondContact O-CA 3.3Å; T1092-G1108 PolarHBondContact OG1-O 2.76Å; T1092-G1108 VanDerWaalsContact OG1-O 3.11Å; G1106-G1108 PolarHBondContact O-N 2.63Å; G1108-S1110 VanDerWaalsContact C-N 3.27Å; G1108-S1110 PolarHBondContact O-N 3Å
1109C83.7Confident78.4Confident12 Ų1269 Ų698%0.08141%0.411CS..G310 helixtrans61.530.9-170.2-48.20000114.1R1091 C1100 F1104 W1105 G1106 E1107 R1111R1091-C1109 VanDerWaalsContact C-SG 3.57Å; R1091-C1109 PolarHBondContact O-SG 3.4Å; C1100-C1109 WeakPolarHBondContact CA-SG 3.35Å; C1100-C1109 HydrophobicContact CB-CB 3.75Å; C1100-C1109 WeakPolarHBondContact CB-SG 3.48Å; C1100-C1109 VanDerWaalsContact SG-CA 3.57Å; C1100-C1109 WeakPolarHBondContact SG-CB 3.19Å; C1100-C1109 CovalentContact SG-SG 2.02Å; C1100-C1109 PolarHBondContact SG-SG 3.01Å; F1104-C1109 HydrophobicContact CB-CB 4.22Å; W1105-C1109 CarbonylContact O-C 3.56Å; W1105-C1109 VanDerWaalsContact O-C 3.29Å; W1105-C1109 WeakPolarHBondContact O-CA 3.13Å; G1106-C1109 PolarHBondContact O-N 3.47Å; E1107-C1109 PolarHBondContact O-N 3.13Å; C1109-R1111 VanDerWaalsContact C-N 3.31Å; C1109-R1111 PolarHBondContact O-N 3.05Å
1110S80Confident78.4Confident93 Ų9367 Ų6765%0.6541%0.405SS*.  trans-72.5-11.7-172.555.10000115.9W1105 E1107 G1108W1105-S1110 PolarHBondContact O-N 3.4Å; E1107-S1110 WeakPolarHBondContact O-CB 3.3Å; E1107-S1110 PolarHBondContact O-N 3.05Å; E1107-S1110 VanDerWaalsContact O-N 3.11Å; E1107-S1110 PolarHBondContact O-OG 2.69Å; G1108-S1110 VanDerWaalsContact C-N 3.27Å; G1108-S1110 PolarHBondContact O-N 3Å
1111R78.9Confident78.4Confident110 Ų11066.9 Ų66.942%0.41540%0.404SS..EExtended strand (participates in β ladder)trans-115.3142.1-176.8-64.6-174.1173.5-169.3-1.3112F1104 W1105 C1109F1104-R1111 CarbonylContact C-O 3.49Å; F1104-R1111 VanDerWaalsContact CA-O 3.27Å; F1104-R1111 WeakPolarHBondContact CA-O 3.47Å; W1105-R1111 HydrophobicContact CD2-CB 3.92Å; W1105-R1111 HydrophobicContact CG-CB 4.16Å; W1105-R1111 HydrophobicContact CZ2-CB 4.1Å; W1105-R1111 HydrophobicContact CZ2-CG 4.5Å; W1105-R1111 PolarHBondContact N-O 3.28Å; W1105-R1111 PolarHBondContact O-N 2.64Å; C1109-R1111 VanDerWaalsContact C-N 3.31Å; C1109-R1111 PolarHBondContact O-N 3.05Å
1112T81.4Confident78.3Confident94 Ų9465.2 Ų65.258%0.57739%0.391SS*.EExtended strand (participates in β ladder)trans-84.7148.2174.5-23.50000111G1103 F1104 W1105 A1114G1103-T1112 CarbonylContact O-C 3.46Å; G1103-T1112 WeakPolarHBondContact O-CA 3.32Å; G1103-T1112 VanDerWaalsContact O-CG2 3.28Å; G1103-T1112 WeakPolarHBondContact O-CG2 3.31Å; F1104-T1112 HydrophobicContact CE1-CG2 4.34Å; W1105-T1112 PolarHBondContact NE1-O 2.81Å; T1112-A1114 PolarHBondContact O-N 2.95Å
1113C78.1Confident78.4Confident30 Ų3061.5 Ų61.520%0.20336%0.364CS..  trans-64.3121.7171.6-60.60000110.5G1103 C1115 C1121G1103-C1113 VanDerWaalsContact CA-SG 3.51Å; G1103-C1113 PolarHBondContact O-N 2.03Å; C1113-C1115 VanDerWaalsContact C-N 3.27Å; C1113-C1115 PolarHBondContact O-N 2.84Å; C1113-C1121 WeakPolarHBondContact CA-SG 3.49Å; C1113-C1121 HydrophobicContact CB-CB 3.69Å; C1113-C1121 WeakPolarHBondContact CB-SG 3.47Å; C1113-C1121 WeakPolarHBondContact SG-CB 3.46Å; C1113-C1121 PolarHBondContact SG-N 2.89Å; C1113-C1121 VanDerWaalsContact SG-N 3.39Å; C1113-C1121 CovalentContact SG-SG 2.03Å; C1113-C1121 PolarHBondContact SG-SG 2.76Å
1114A79.4Confident78.3Confident79 Ų7964.7 Ų64.765%0.65337%0.372SS*.  trans-90.731.3178.300000113.3T1112 A1138T1112-A1114 PolarHBondContact O-N 2.95Å; A1114-A1138 VanDerWaalsContact O-CB 3.27Å; A1114-A1138 WeakPolarHBondContact O-CB 3.41Å
1115C80.5Confident78.2Confident24 Ų2464.3 Ų64.316%0.16238%0.378CS..  trans-87.8130.5-167.1-50.40000113.4C1113 A1119 C1128C1113-C1115 VanDerWaalsContact C-N 3.27Å; C1113-C1115 PolarHBondContact O-N 2.84Å; C1115-A1119 HydrophobicContact CB-CB 3.96Å; C1115-A1119 WeakPolarHBondContact CB-O 3.47Å; C1115-C1128 WeakPolarHBondContact CA-SG 3.29Å; C1115-C1128 HydrophobicContact CB-CB 3.82Å; C1115-C1128 WeakPolarHBondContact CB-SG 3.02Å; C1115-C1128 WeakPolarHBondContact SG-CB 3.24Å; C1115-C1128 CovalentContact SG-SG 2.03Å; C1115-C1128 PolarHBondContact SG-SG 3.02Å
1116L77.6Confident77.8Confident87 Ų8762.3 Ų62.346%0.45537%0.374SS..SBendtrans-78.4169.4170.7-56.2-179.3000111.7G1118 A1119 A1138 E1140L1116-G1118 PolarHBondContact O-N 2.88Å; L1116-A1119 PolarHBondContact O-N 3.11Å; L1116-A1138 WeakPolarHBondContact CA-O 3.47Å; L1116-A1138 WeakPolarHBondContact CB-O 3.49Å; L1116-A1138 HydrophobicContact CG-CB 4.25Å; L1116-A1138 WeakPolarHBondContact CG-O 3.19Å; L1116-A1138 PolarHBondContact N-O 3.45Å; L1116-E1140 HydrophobicContact CD1-CB 3.7Å
1117R70Confident78.1Confident163 Ų16369 Ų6962%0.61540%0.402SS*.THydrogen-bonded Turntrans57.814.8172.5-53.5-174.3-178.8-74.5-7.1115.8W1134R1117-W1134 VanDerWaalsContact NE-CZ3 3.34Å
1118G68.9Low78.4Confident73 Ų7364 Ų6475%0.75338%0.379SS*.THydrogen-bonded Turntrans82.113.7179.800000114.6L1116L1116-G1118 PolarHBondContact O-N 2.88Å
1119A70.8Confident78.7Confident13 Ų1369 Ų6911%0.10739%0.389CS..PPolyproline II helixtrans-63.7142.5172.200000111.6C1115 L1116 R1129 C1139C1115-A1119 HydrophobicContact CB-CB 3.96Å; C1115-A1119 WeakPolarHBondContact CB-O 3.47Å; L1116-A1119 PolarHBondContact O-N 3.11Å; A1119-R1129 VanDerWaalsContact CB-O 3.23Å; A1119-R1129 WeakPolarHBondContact CB-O 3.38Å; A1119-C1139 HydrophobicContact CB-CB 4.49Å
1120T80.1Confident78.6Confident91 Ų9168.5 Ų68.556%0.55839%0.385SS*.EExtended strand (participates in β ladder)trans-89.4140.6172.752.70000110.2R1129T1120-R1129 WeakPolarHBondContact O-CB 3Å; T1120-R1129 PolarHBondContact O-N 2.98Å
1121C80.6Confident78.6Confident14 Ų1467.4 Ų67.410%0.09538%0.377CS..EExtended strand (participates in β ladder)trans-84151.9167.971.60000112.8W1105 C1113 G1126 K1127W1105-C1121 VanDerWaalsContact CD1-SG 3.51Å; C1113-C1121 WeakPolarHBondContact CA-SG 3.49Å; C1113-C1121 HydrophobicContact CB-CB 3.69Å; C1113-C1121 WeakPolarHBondContact CB-SG 3.47Å; C1113-C1121 WeakPolarHBondContact SG-CB 3.46Å; C1113-C1121 PolarHBondContact SG-N 2.89Å; C1113-C1121 VanDerWaalsContact SG-N 3.39Å; C1113-C1121 CovalentContact SG-SG 2.03Å; C1113-C1121 PolarHBondContact SG-SG 2.76Å; C1121-G1126 VanDerWaalsContact CB-O 3.22Å; C1121-G1126 WeakPolarHBondContact CB-O 3.01Å; C1121-K1127 WeakPolarHBondContact CA-O 2.98Å
1122D80Confident78.7Confident40 Ų4064.8 Ų64.821%0.21438%0.376CS..PPolyproline II helixtrans-66.1130.2166.5176.3-93.4000110.1I1124 T1125 G1126 K1127D1122-I1124 VanDerWaalsContact C-N 3.27Å; D1122-I1124 PolarHBondContact O-N 3.17Å; D1122-I1124 WeakPolarHBondContact OD1-CB 3.34Å; D1122-I1124 PolarHBondContact OD1-N 3.13Å; D1122-I1124 VanDerWaalsContact OD1-N 3.13Å; D1122-T1125 WeakPolarHBondContact CB-OG1 3.22Å; D1122-T1125 VanDerWaalsContact CG-OG1 3.32Å; D1122-T1125 PolarHBondContact O-N 2.89Å; D1122-T1125 PolarHBondContact OD1-N 3.35Å; D1122-T1125 PolarHBondContact OD1-OG1 3.11Å; D1122-G1126 WeakPolarHBondContact O-CA 3.27Å; D1122-G1126 PolarHBondContact O-N 3.11Å; D1122-K1127 PolarHBondContact N-O 3.26Å
1123P79.9Confident78.7Confident48 Ų4860.3 Ų60.331%0.31235%0.348SS..THydrogen-bonded Turntrans-70.3-23.5-17128.5-36000113.1G1090 C1100 W1105 G1106G1090-P1123 WeakPolarHBondContact CA-O 3.05Å; G1090-P1123 PolarHBondContact N-O 3Å; G1090-P1123 VanDerWaalsContact N-O 3.15Å; C1100-P1123 HydrophobicContact CB-CB 3.77Å; W1105-P1123 CarbonylContact C-O 3.15Å; W1105-P1123 WeakPolarHBondContact CA-O 3.21Å; W1105-P1123 WeakPolarHBondContact CB-O 3.39Å; G1106-P1123 PolarHBondContact N-O 3.28Å
1124I79.4Confident78.9Confident97 Ų9761 Ų6150%0.49735%0.347SS..THydrogen-bonded Turntrans-79.6-51.9177.9-52.1-174.5000109.6P1089 D1122P1089-I1124 HydrophobicContact CB-CG2 3.92Å; P1089-I1124 WeakPolarHBondContact CB-O 3.36Å; P1089-I1124 WeakPolarHBondContact O-CG1 3.31Å; P1089-I1124 WeakPolarHBondContact O-CG2 3.49Å; D1122-I1124 VanDerWaalsContact C-N 3.27Å; D1122-I1124 PolarHBondContact O-N 3.17Å; D1122-I1124 WeakPolarHBondContact OD1-CB 3.34Å; D1122-I1124 PolarHBondContact OD1-N 3.13Å; D1122-I1124 VanDerWaalsContact OD1-N 3.13Å
1125T79.6Confident79Confident83 Ų8360.9 Ų60.951%0.50933%0.33SS..THydrogen-bonded Turntrans-104.3-11.5-163.958.30000114.8W1105 D1122 K1127W1105-T1125 WeakPolarHBondContact CZ3-O 3.3Å; D1122-T1125 WeakPolarHBondContact CB-OG1 3.22Å; D1122-T1125 VanDerWaalsContact CG-OG1 3.32Å; D1122-T1125 PolarHBondContact O-N 2.89Å; D1122-T1125 PolarHBondContact OD1-N 3.35Å; D1122-T1125 PolarHBondContact OD1-OG1 3.11Å; T1125-K1127 PolarHBondContact O-N 3.31Å; T1125-K1127 VanDerWaalsContact O-N 3.07Å
1126G78.3Confident78.6Confident12 Ų1260.7 Ų60.712%0.12433%0.333CS..  trans71.7-6.3-176.600000115.2W1105 C1121 D1122 C1128W1105-G1126 VanDerWaalsContact CE3-N 3.26Å; C1121-G1126 VanDerWaalsContact CB-O 3.22Å; C1121-G1126 WeakPolarHBondContact CB-O 3.01Å; D1122-G1126 WeakPolarHBondContact O-CA 3.27Å; D1122-G1126 PolarHBondContact O-N 3.11Å; G1126-C1128 PolarHBondContact O-N 3.44Å
1127K79.1Confident78.5Confident145 Ų14565.1 Ų65.163%0.6335%0.351SS*.  trans-63.4122.9-179.3-172.6170.5-176172.60110C1121 D1122 T1125 R1129C1121-K1127 WeakPolarHBondContact CA-O 2.98Å; D1122-K1127 PolarHBondContact N-O 3.26Å; T1125-K1127 PolarHBondContact O-N 3.31Å; T1125-K1127 VanDerWaalsContact O-N 3.07Å; K1127-R1129 PolarHBondContact O-N 2.76Å
1128C82.8Confident79Confident6 Ų658.5 Ų58.54%0.04133%0.331CS..EExtended strand (participates in β ladder)trans-67.7128.3177.1-62.50000111.2C1115 G1126 C1130 E1137 C1139 S1151C1115-C1128 WeakPolarHBondContact CA-SG 3.29Å; C1115-C1128 HydrophobicContact CB-CB 3.82Å; C1115-C1128 WeakPolarHBondContact CB-SG 3.02Å; C1115-C1128 WeakPolarHBondContact SG-CB 3.24Å; C1115-C1128 CovalentContact SG-SG 2.03Å; C1115-C1128 PolarHBondContact SG-SG 3.02Å; G1126-C1128 PolarHBondContact O-N 3.44Å; C1128-C1130 PolarHBondContact O-N 2.94Å; C1128-E1137 WeakPolarHBondContact CB-O 3.48Å; C1128-E1137 PolarHBondContact SG-O 3.1Å; C1128-C1139 WeakPolarHBondContact CB-SG 3.48Å; C1128-S1151 PolarHBondContact O-OG 2.94Å
1129R84.3Confident79.6Confident136 Ų13655.1 Ų55.151%0.51330%0.296SS..EExtended strand (participates in β ladder)trans-79.795.3169.5-74.7-174.7174.7-135.76.7109.1A1119 T1120 K1127 E1150A1119-R1129 VanDerWaalsContact CB-O 3.23Å; A1119-R1129 WeakPolarHBondContact CB-O 3.38Å; T1120-R1129 WeakPolarHBondContact O-CB 3Å; T1120-R1129 PolarHBondContact O-N 2.98Å; K1127-R1129 PolarHBondContact O-N 2.76Å; R1129-E1150 WeakPolarHBondContact CB-OE1 3.33Å; R1129-E1150 WeakPolarHBondContact CD-OE1 3.03Å; R1129-E1150 IonicContact NH1-OE1 3.32Å
1130C81.6Confident80.1Confident1 Ų158.2 Ų58.21%0.00731%0.308CS..PPolyproline II helixtrans-80.7130-172.9-55.40000110.7C1128 W1134 C1139 E1150 S1151C1128-C1130 PolarHBondContact O-N 2.94Å; C1130-W1134 HydrophobicContact CB-CB 4.15Å; C1130-W1134 WeakPolarHBondContact CB-O 3.35Å; C1130-C1139 WeakPolarHBondContact CA-SG 3.28Å; C1130-C1139 HydrophobicContact CB-CB 3.71Å; C1130-C1139 WeakPolarHBondContact CB-SG 3.04Å; C1130-C1139 WeakPolarHBondContact SG-CA 3.47Å; C1130-C1139 WeakPolarHBondContact SG-CB 3.3Å; C1130-C1139 CovalentContact SG-SG 2.03Å; C1130-C1139 PolarHBondContact SG-SG 3.09Å; C1130-E1150 CarbonylContact O-C 3.42Å; C1130-E1150 WeakPolarHBondContact O-CA 3.41Å; C1130-E1150 WeakPolarHBondContact O-CG 3.36Å; C1130-S1151 PolarHBondContact N-OG 3.1Å; C1130-S1151 PolarHBondContact O-N 3.46Å
1131S78.4Confident80Confident69 Ų6957.1 Ų57.148%0.48330%0.298SS..PPolyproline II helixtrans-55.2151.6173.2-51.10000111.3G1133 W1134S1131-G1133 PolarHBondContact O-N 2.88Å; S1131-W1134 PolarHBondContact O-N 2.81Å; S1131-W1134 VanDerWaalsContact O-N 3.15Å
1132S81Confident80Confident55 Ų5559 Ų5939%0.38531%0.31SS..THydrogen-bonded Turntrans-49.2132.4-176.9-49.50000112.4G1149 F1173S1132-G1149 WeakPolarHBondContact CA-O 3.44Å; S1132-F1173 WeakPolarHBondContact O-CD1 3.25Å
1133G81.3Confident79.9Confident0 Ų057.7 Ų57.70%030%0.304CS..THydrogen-bonded Turntrans94.7-1.5-175.400000116S1131 P1142 C1143 R1172S1131-G1133 PolarHBondContact O-N 2.88Å; G1133-P1142 WeakPolarHBondContact O-CA 3.41Å; G1133-C1143 WeakPolarHBondContact CA-SG 3.36Å; G1133-C1143 PolarHBondContact O-N 3.41Å; G1133-R1172 VanDerWaalsContact CA-O 3.22Å; G1133-R1172 WeakPolarHBondContact CA-O 3.33Å; G1133-R1172 PolarHBondContact N-O 3.3Å
1134W82.4Confident79.5Confident44 Ų4461.9 Ų61.917%0.16732%0.32CS..EExtended strand (participates in β ladder)trans-129.3144.6-179-5791.1000113.4R1117 C1130 S1131 C1139 L1141 P1142 S1151 C1152 F1173R1117-W1134 VanDerWaalsContact NE-CZ3 3.34Å; C1130-W1134 HydrophobicContact CB-CB 4.15Å; C1130-W1134 WeakPolarHBondContact CB-O 3.35Å; S1131-W1134 PolarHBondContact O-N 2.81Å; S1131-W1134 VanDerWaalsContact O-N 3.15Å; W1134-C1139 HydrophobicContact CB-CB 4.46Å; W1134-L1141 CarbonylContact C-O 3.53Å; W1134-L1141 VanDerWaalsContact CA-O 3.31Å; W1134-L1141 WeakPolarHBondContact CA-O 3.17Å; W1134-P1142 HydrophobicContact CE3-CB 4.48Å; W1134-P1142 HydrophobicContact CZ3-CB 4.24Å; W1134-S1151 WeakPolarHBondContact O-CA 3.38Å; W1134-C1152 PolarHBondContact O-SG 2.91Å; W1134-C1152 VanDerWaalsContact O-SG 3.41Å; W1134-F1173 AromaticContact NE1-CE1 4Å
1135Y81.7Confident79.1Confident77 Ų7761.9 Ų61.930%0.30233%0.328SS..EExtended strand (participates in β ladder)trans-141.3-162.3166.483.4-62.4000110.2C1139 E1140 L1141 P1142 Q1144Y1135-C1139 CarbonylContact O-C 3.51Å; Y1135-C1139 VanDerWaalsContact O-C 3.28Å; Y1135-C1139 VanDerWaalsContact O-CA 3.25Å; Y1135-C1139 WeakPolarHBondContact O-CA 3.04Å; Y1135-E1140 PolarHBondContact O-N 3.28Å; Y1135-L1141 HydrophobicContact CD1-CB 3.67Å; Y1135-L1141 HydrophobicContact CE1-CB 3.44Å; Y1135-L1141 VanDerWaalsContact CE1-CB 3.44Å; Y1135-L1141 HydrophobicContact CE1-CD1 3.97Å; Y1135-L1141 HydrophobicContact CE1-CG 4.36Å; Y1135-L1141 HydrophobicContact CE2-CD1 3.93Å; Y1135-L1141 HydrophobicContact CG-CB 4.39Å; Y1135-L1141 PolarHBondContact N-O 2.67Å; Y1135-L1141 PolarHBondContact O-N 2.03Å; Y1135-L1141 VanDerWaalsContact O-O 3.05Å; Y1135-P1142 WeakPolarHBondContact CD1-O 3.37Å; Y1135-P1142 WeakPolarHBondContact CE1-O 3.37Å; Y1135-Q1144 HydrophobicContact CE1-CG 4.43Å
1136G73.2Confident78.7Confident21 Ų2159.2 Ų59.222%0.21632%0.317CS..SBendtrans93161.2-164.600000110.9A1138 C1139 E1140G1136-A1138 PolarHBondContact O-N 2.03Å; G1136-C1139 PolarHBondContact O-N 3.47Å; G1136-E1140 WeakPolarHBondContact CA-OE1 3.48Å; G1136-E1140 WeakPolarHBondContact CA-OE2 3.32Å
1137E74.6Confident78.8Confident179 Ų17962.6 Ų62.684%0.83633%0.33SS*.THydrogen-bonded Turntrans-66.7-31.1-177.1-68.5-152.7130.700112.2C1128 E1140C1128-E1137 WeakPolarHBondContact CB-O 3.48Å; C1128-E1137 PolarHBondContact SG-O 3.1Å; E1137-E1140 PolarHBondContact N-OE1 2.84Å; E1137-E1140 PolarHBondContact N-OE2 2.81Å
1138A80.2Confident79.1Confident24 Ų2459.5 Ų59.520%0.19831%0.314CS..THydrogen-bonded Turntrans-106.512.6178.400000112.6A1114 L1116 G1136 E1140A1114-A1138 VanDerWaalsContact O-CB 3.27Å; A1114-A1138 WeakPolarHBondContact O-CB 3.41Å; L1116-A1138 WeakPolarHBondContact CA-O 3.47Å; L1116-A1138 WeakPolarHBondContact CB-O 3.49Å; L1116-A1138 HydrophobicContact CG-CB 4.25Å; L1116-A1138 WeakPolarHBondContact CG-O 3.19Å; L1116-A1138 PolarHBondContact N-O 3.45Å; G1136-A1138 PolarHBondContact O-N 2.03Å; A1138-E1140 VanDerWaalsContact C-N 3.27Å; A1138-E1140 VanDerWaalsContact C-OE2 3.26Å; A1138-E1140 VanDerWaalsContact CA-OE2 3.27Å; A1138-E1140 WeakPolarHBondContact CA-OE2 3.48Å; A1138-E1140 WeakPolarHBondContact CB-OE2 3.37Å; A1138-E1140 PolarHBondContact N-OE2 3.34Å; A1138-E1140 PolarHBondContact O-N 3.14Å
1139C82.4Confident78.8Confident2 Ų259.5 Ų59.51%0.01432%0.315CS..SBendtrans61.631.4-172.9-48.10000114.3A1119 C1128 C1130 W1134 Y1135 G1136A1119-C1139 HydrophobicContact CB-CB 4.49Å; C1128-C1139 WeakPolarHBondContact CB-SG 3.48Å; C1130-C1139 WeakPolarHBondContact CA-SG 3.28Å; C1130-C1139 HydrophobicContact CB-CB 3.71Å; C1130-C1139 WeakPolarHBondContact CB-SG 3.04Å; C1130-C1139 WeakPolarHBondContact SG-CA 3.47Å; C1130-C1139 WeakPolarHBondContact SG-CB 3.3Å; C1130-C1139 CovalentContact SG-SG 2.03Å; C1130-C1139 PolarHBondContact SG-SG 3.09Å; W1134-C1139 HydrophobicContact CB-CB 4.46Å; Y1135-C1139 CarbonylContact O-C 3.51Å; Y1135-C1139 VanDerWaalsContact O-C 3.28Å; Y1135-C1139 VanDerWaalsContact O-CA 3.25Å; Y1135-C1139 WeakPolarHBondContact O-CA 3.04Å; G1136-C1139 PolarHBondContact O-N 3.47Å
1140E80.5Confident78.6Confident79 Ų7957.4 Ų57.437%0.36931%0.311SS..  trans-81.8-26.9-176.673.4-69.7170.800114L1116 Y1135 G1136 E1137 A1138L1116-E1140 HydrophobicContact CD1-CB 3.7Å; Y1135-E1140 PolarHBondContact O-N 3.28Å; G1136-E1140 WeakPolarHBondContact CA-OE1 3.48Å; G1136-E1140 WeakPolarHBondContact CA-OE2 3.32Å; E1137-E1140 PolarHBondContact N-OE1 2.84Å; E1137-E1140 PolarHBondContact N-OE2 2.81Å; A1138-E1140 VanDerWaalsContact C-N 3.27Å; A1138-E1140 VanDerWaalsContact C-OE2 3.26Å; A1138-E1140 VanDerWaalsContact CA-OE2 3.27Å; A1138-E1140 WeakPolarHBondContact CA-OE2 3.48Å; A1138-E1140 WeakPolarHBondContact CB-OE2 3.37Å; A1138-E1140 PolarHBondContact N-OE2 3.34Å; A1138-E1140 PolarHBondContact O-N 3.14Å
1141L78.1Confident78.3Confident68 Ų6859.2 Ų59.236%0.35632%0.324SS..EExtended strand (participates in β ladder)trans-98.7137.7-175-56179.4000111.7W1134 Y1135W1134-L1141 CarbonylContact C-O 3.53Å; W1134-L1141 VanDerWaalsContact CA-O 3.31Å; W1134-L1141 WeakPolarHBondContact CA-O 3.17Å; Y1135-L1141 HydrophobicContact CD1-CB 3.67Å; Y1135-L1141 HydrophobicContact CE1-CB 3.44Å; Y1135-L1141 VanDerWaalsContact CE1-CB 3.44Å; Y1135-L1141 HydrophobicContact CE1-CD1 3.97Å; Y1135-L1141 HydrophobicContact CE1-CG 4.36Å; Y1135-L1141 HydrophobicContact CE2-CD1 3.93Å; Y1135-L1141 HydrophobicContact CG-CB 4.39Å; Y1135-L1141 PolarHBondContact N-O 2.67Å; Y1135-L1141 PolarHBondContact O-N 2.03Å; Y1135-L1141 VanDerWaalsContact O-O 3.05Å
1142P80.4Confident78.3Confident53 Ų5356.5 Ų56.534%0.34430%0.304SS..EExtended strand (participates in β ladder)trans-73.2150.4167.732.4-33.9000110.5G1133 W1134 Y1135 Q1144G1133-P1142 WeakPolarHBondContact O-CA 3.41Å; W1134-P1142 HydrophobicContact CE3-CB 4.48Å; W1134-P1142 HydrophobicContact CZ3-CB 4.24Å; Y1135-P1142 WeakPolarHBondContact CD1-O 3.37Å; Y1135-P1142 WeakPolarHBondContact CE1-O 3.37Å; P1142-Q1144 PolarHBondContact O-N 2.79Å
1143C78.2Confident78.2Confident13 Ų1357.9 Ų57.99%0.08831%0.314CS..PPolyproline II helixtrans-51.5133.9176.2-59.60000112.1G1133 H1147 C1152 R1172G1133-C1143 WeakPolarHBondContact CA-SG 3.36Å; G1133-C1143 PolarHBondContact O-N 3.41Å; C1143-H1147 VanDerWaalsContact CB-O 3.28Å; C1143-H1147 WeakPolarHBondContact CB-O 3.48Å; C1143-C1152 WeakPolarHBondContact CA-SG 3.13Å; C1143-C1152 HydrophobicContact CB-CB 3.92Å; C1143-C1152 WeakPolarHBondContact CB-SG 3.13Å; C1143-C1152 WeakPolarHBondContact SG-CB 3.46Å; C1143-C1152 CovalentContact SG-SG 2.02Å; C1143-C1152 PolarHBondContact SG-SG 3.36Å; C1143-R1172 HydrophobicContact CB-CB 4.29Å
1144Q72.7Confident78.1Confident135 Ų13560.3 Ų60.363%0.63133%0.329SS*.PPolyproline II helixtrans-63.3151.1166.7-73.5-173.8-47.300110.5Y1135 P1142 G1146 H1147Y1135-Q1144 HydrophobicContact CE1-CG 4.43Å; P1142-Q1144 PolarHBondContact O-N 2.79Å; Q1144-G1146 PolarHBondContact O-N 2.92Å; Q1144-H1147 PolarHBondContact O-N 2.88Å
1145S70.2Confident77.7Confident97 Ų9761.7 Ų61.768%0.67834%0.343SS*.THydrogen-bonded Turntrans-49.8134.5177.2-650000111.1E1169S1145-E1169 PolarHBondContact OG-OE1 2.98Å
1146G71.6Confident77.3Confident27 Ų2759 Ų5928%0.27834%0.335SS..THydrogen-bonded Turntrans88.87.6-177.200000115.7Q1144 C1156Q1144-G1146 PolarHBondContact O-N 2.92Å; G1146-C1156 WeakPolarHBondContact O-CB 2.99Å; G1146-C1156 PolarHBondContact O-N 3.13Å
1147H80.4Confident77.4Confident83 Ų8362.8 Ų62.838%0.38435%0.348SS..EExtended strand (participates in β ladder)trans-134.4146.6172.2-67.878.6000113C1143 Q1144 C1152 C1156C1143-H1147 VanDerWaalsContact CB-O 3.28Å; C1143-H1147 WeakPolarHBondContact CB-O 3.48Å; Q1144-H1147 PolarHBondContact O-N 2.88Å; H1147-C1152 HydrophobicContact CB-CB 4.06Å; H1147-C1156 VanDerWaalsContact C-SG 3.52Å; H1147-C1156 PolarHBondContact N-SG 3.17Å
1148W84.9Confident77.3Confident81 Ų8154.4 Ų54.431%0.30731%0.309SS..EExtended strand (participates in β ladder)trans-148.6-174.5177.579.7-68.9000112C1152 S1153 V1154 T1174W1148-C1152 CarbonylContact O-C 3.46Å; W1148-C1152 VanDerWaalsContact O-CA 3.28Å; W1148-C1152 WeakPolarHBondContact O-CA 3.42Å; W1148-S1153 PolarHBondContact O-N 3.23Å; W1148-V1154 HydrophobicContact CD2-CB 4.5Å; W1148-V1154 HydrophobicContact CG-CB 4.35Å; W1148-V1154 HydrophobicContact CZ2-CG1 4.29Å; W1148-V1154 PolarHBondContact N-O 2.89Å; W1148-V1154 WeakPolarHBondContact O-CB 3.09Å; W1148-V1154 PolarHBondContact O-N 3.24Å; W1148-T1174 VanDerWaalsContact CE3-C 3.47Å; W1148-T1174 VanDerWaalsContact CZ3-O 3.26Å; W1148-T1174 WeakPolarHBondContact CZ3-O 3.23Å
1149G77.4Confident76.4Confident5 Ų555 Ų555%0.05231%0.311CS..SBendtrans81.2-176.9179.500000114.1S1132 S1151 C1152S1132-G1149 WeakPolarHBondContact CA-O 3.44Å; G1149-S1151 PolarHBondContact O-N 3.21Å; G1149-C1152 PolarHBondContact O-N 2.83Å
1150E79.6Confident75.3Confident93 Ų9358.1 Ų58.144%0.43534%0.337SS..G310 helixtrans-58.9128.1-179.5-167.8-178.1172.700110.2R1129 C1130 C1152 S1153R1129-E1150 WeakPolarHBondContact CB-OE1 3.33Å; R1129-E1150 WeakPolarHBondContact CD-OE1 3.03Å; R1129-E1150 IonicContact NH1-OE1 3.32Å; C1130-E1150 CarbonylContact O-C 3.42Å; C1130-E1150 WeakPolarHBondContact O-CA 3.41Å; C1130-E1150 WeakPolarHBondContact O-CG 3.36Å; E1150-C1152 PolarHBondContact O-N 3.09Å; E1150-C1152 VanDerWaalsContact O-N 3.07Å; E1150-S1153 WeakPolarHBondContact O-CB 3.24Å; E1150-S1153 PolarHBondContact O-N 2.03Å; E1150-S1153 PolarHBondContact O-OG 2.62Å
1151S74.7Confident74Confident39 Ų3958.9 Ų58.927%0.27334%0.344SS..G310 helixtrans4830.4-171.2-63.70000114.9C1128 C1130 W1134 G1149 S1153C1128-S1151 PolarHBondContact O-OG 2.94Å; C1130-S1151 PolarHBondContact N-OG 3.1Å; C1130-S1151 PolarHBondContact O-N 3.46Å; W1134-S1151 WeakPolarHBondContact O-CA 3.38Å; G1149-S1151 PolarHBondContact O-N 3.21Å; S1151-S1153 PolarHBondContact O-N 2.96Å; S1151-S1153 VanDerWaalsContact O-N 3.17Å
1152C79.7Confident72.7Confident12 Ų1263 Ų638%0.08137%0.372CS..G310 helixtrans55.525.2-174.9-48.10000114.1W1134 C1143 H1147 W1148 G1149 E1150 V1154W1134-C1152 PolarHBondContact O-SG 2.91Å; W1134-C1152 VanDerWaalsContact O-SG 3.41Å; C1143-C1152 WeakPolarHBondContact CA-SG 3.13Å; C1143-C1152 HydrophobicContact CB-CB 3.92Å; C1143-C1152 WeakPolarHBondContact CB-SG 3.13Å; C1143-C1152 WeakPolarHBondContact SG-CB 3.46Å; C1143-C1152 CovalentContact SG-SG 2.02Å; C1143-C1152 PolarHBondContact SG-SG 3.36Å; H1147-C1152 HydrophobicContact CB-CB 4.06Å; W1148-C1152 CarbonylContact O-C 3.46Å; W1148-C1152 VanDerWaalsContact O-CA 3.28Å; W1148-C1152 WeakPolarHBondContact O-CA 3.42Å; G1149-C1152 PolarHBondContact O-N 2.83Å; E1150-C1152 PolarHBondContact O-N 3.09Å; E1150-C1152 VanDerWaalsContact O-N 3.07Å; C1152-V1154 PolarHBondContact O-N 3.42Å
1153S79Confident71.5Confident84 Ų8471.5 Ų71.559%0.58740%0.397SS*.  trans-70.5-12.1-172.457.70000115.2W1148 E1150 S1151 P1155W1148-S1153 PolarHBondContact O-N 3.23Å; E1150-S1153 WeakPolarHBondContact O-CB 3.24Å; E1150-S1153 PolarHBondContact O-N 2.03Å; E1150-S1153 PolarHBondContact O-OG 2.62Å; S1151-S1153 PolarHBondContact O-N 2.96Å; S1151-S1153 VanDerWaalsContact O-N 3.17Å; S1153-P1155 VanDerWaalsContact O-CD 3.29Å; S1153-P1155 WeakPolarHBondContact O-CD 3.47Å
1154V77.2Confident70Confident51 Ų5174.7 Ų74.731%0.30941%0.413SS..EExtended strand (participates in β ladder)trans-100.9103.2178.5-169.20000108.4W1148 C1152 C1156W1148-V1154 HydrophobicContact CD2-CB 4.5Å; W1148-V1154 HydrophobicContact CG-CB 4.35Å; W1148-V1154 HydrophobicContact CZ2-CG1 4.29Å; W1148-V1154 PolarHBondContact N-O 2.89Å; W1148-V1154 WeakPolarHBondContact O-CB 3.09Å; W1148-V1154 PolarHBondContact O-N 3.24Å; C1152-V1154 PolarHBondContact O-N 3.42Å; V1154-C1156 PolarHBondContact O-N 3.06Å
1155P74.9Confident69Low72 Ų7274.4 Ų74.447%0.46842%0.423SS..EExtended strand (participates in β ladder)trans-60.813516926.5-33.7000108.9S1153 Q1157S1153-P1155 VanDerWaalsContact O-CD 3.29Å; S1153-P1155 WeakPolarHBondContact O-CD 3.47Å; P1155-Q1157 PolarHBondContact O-N 3.01Å
1156C72.5Confident68.2Low20 Ų2076.7 Ų76.714%0.13542%0.423CS..  trans-69.4115.8-174.7-68.20000110.3G1146 H1147 V1154 C1158 C1170G1146-C1156 WeakPolarHBondContact O-CB 2.99Å; G1146-C1156 PolarHBondContact O-N 3.13Å; H1147-C1156 VanDerWaalsContact C-SG 3.52Å; H1147-C1156 PolarHBondContact N-SG 3.17Å; V1154-C1156 PolarHBondContact O-N 3.06Å; C1156-C1158 PolarHBondContact O-N 2.83Å; C1156-C1170 HydrophobicContact CB-CB 3.54Å; C1156-C1170 WeakPolarHBondContact CB-SG 3.21Å; C1156-C1170 WeakPolarHBondContact SG-CB 3.44Å; C1156-C1170 CovalentContact SG-SG 2.01Å; C1156-C1170 PolarHBondContact SG-SG 3.48Å
1157Q76Confident67.4Low102 Ų10277.1 Ų77.148%0.47743%0.428SS..  trans-80.256.1-177.3-63.5177.7-12.100110.2P1155 R1187P1155-Q1157 PolarHBondContact O-N 3.01Å; Q1157-R1187 HydrophobicContact CB-CG 4.24Å; Q1157-R1187 CarbonylContact O-C 3.53Å; Q1157-R1187 WeakPolarHBondContact O-CA 3.23Å; Q1157-R1187 WeakPolarHBondContact O-CB 3.06Å; Q1157-R1187 WeakPolarHBondContact O-CG 3.45Å
1158C73.1Confident66.5Low3 Ų373.5 Ų73.52%0.0241%0.413CS..  trans-103.828.6-177.8-50.80000112.2C1156 G1168 C1177 R1187 C1188C1156-C1158 PolarHBondContact O-N 2.83Å; C1158-G1168 WeakPolarHBondContact CB-O 3.47Å; C1158-G1168 PolarHBondContact O-N 3.06Å; C1158-C1177 WeakPolarHBondContact CA-SG 3.46Å; C1158-C1177 HydrophobicContact CB-CB 3.79Å; C1158-C1177 WeakPolarHBondContact CB-SG 2.93Å; C1158-C1177 VanDerWaalsContact SG-CA 3.54Å; C1158-C1177 WeakPolarHBondContact SG-CB 3.38Å; C1158-C1177 CovalentContact SG-SG 2.04Å; C1158-C1177 PolarHBondContact SG-SG 3.17Å; C1158-R1187 CarbonylContact C-O 3.5Å; C1158-R1187 WeakPolarHBondContact CA-O 3.06Å; C1158-C1188 WeakPolarHBondContact O-CB 3.02Å
1159S60.8Low65.7Low36 Ų3675.2 Ų75.225%0.25242%0.424SS..SBendtrans-150.4149.2171.3175.30000109.3N1161 R1187S1159-N1161 PolarHBondContact OG-N 2.97Å; S1159-N1161 PolarHBondContact OG-O 3.21Å; S1159-N1161 VanDerWaalsContact OG-O 3.07Å; S1159-R1187 PolarHBondContact N-O 2.96Å; S1159-R1187 VanDerWaalsContact N-O 3.13Å
1160A58.4Low65.6Low67 Ų6775.9 Ų75.955%0.55443%0.428SS*.SBendtrans-74.4-23.717300000113.5Q1189A1160-Q1189 HydrophobicContact CB-CB 4.14Å
1161N54.4Low65.5Low95 Ų9574.6 Ų74.651%0.50842%0.424SS..  trans-128.5132.1-173.2-80.7-37.2000111.5S1159 R1163 D1164S1159-N1161 PolarHBondContact OG-N 2.97Å; S1159-N1161 PolarHBondContact OG-O 3.21Å; S1159-N1161 VanDerWaalsContact OG-O 3.07Å; N1161-R1163 PolarHBondContact O-N 3.22Å; N1161-D1164 HydrophobicContact CB-CB 4.49Å; N1161-D1164 WeakPolarHBondContact CB-OD2 3.28Å; N1161-D1164 PolarHBondContact ND2-OD2 2.03Å; N1161-D1164 PolarHBondContact O-N 3.16Å
1162T51Low65.3Low155 Ų15577.5 Ų77.595%0.95143%0.429SS*.THydrogen-bonded Turntrans-73.113.917452.90000114.4
1163R54.1Low65.3Low231 Ų23181.2 Ų81.287%0.87244%0.444SS*.THydrogen-bonded Turntrans-126.2-8.6-179.3-67.1-174.5179.5177-0.7114.3N1161N1161-R1163 PolarHBondContact O-N 3.22Å
1164D47.9Very low65.3Low80 Ų8081.3 Ų81.343%0.42844%0.441SS..  trans-92117.7175.7-77.9-54.9000109.1N1161 E1166N1161-D1164 HydrophobicContact CB-CB 4.49Å; N1161-D1164 WeakPolarHBondContact CB-OD2 3.28Å; N1161-D1164 PolarHBondContact ND2-OD2 2.03Å; N1161-D1164 PolarHBondContact O-N 3.16Å; D1164-E1166 PolarHBondContact O-N 3.41Å
1165P51.7Low65.2Low130 Ų13079.6 Ų79.684%0.84443%0.433SS*.SBendtrans-68.7-16.6-177.8-22.635000115.2G1167P1165-G1167 VanDerWaalsContact C-N 3.27Å; P1165-G1167 PolarHBondContact O-N 3.02Å
1166E52.9Low65.3Low144 Ų14483.6 Ų83.667%0.67345%0.446SS*.  trans-90.744.3-172.3-58.9-175.6149.500112.8D1164D1164-E1166 PolarHBondContact O-N 3.41Å
1167G55.4Low65.4Low36 Ų3683.7 Ų83.737%0.37145%0.447SS..PPolyproline II helixtrans-69.6151.8173.200000112.8P1165P1165-G1167 VanDerWaalsContact C-N 3.27Å; P1165-G1167 PolarHBondContact O-N 3.02Å
1168G60.9Low65.5Low7 Ų788.7 Ų88.77%0.07246%0.461CS..PPolyproline II helixtrans-67.7152.4176.500000113.9C1158C1158-G1168 WeakPolarHBondContact CB-O 3.47Å; C1158-G1168 PolarHBondContact O-N 3.06Å
1169E67.1Low65.3Low118 Ų11889.7 Ų89.755%0.55147%0.468SS*.EExtended strand (participates in β ladder)trans-79131.7171.9-69.4-162.5119.900110.5S1145 R1178S1145-E1169 PolarHBondContact OG-OE1 2.98Å; E1169-R1178 PolarHBondContact N-O 2.96Å; E1169-R1178 WeakPolarHBondContact O-CA 3.43Å; E1169-R1178 WeakPolarHBondContact O-CB 3.44Å; E1169-R1178 PolarHBondContact O-N 2.81Å
1170C77.1Confident65.6Low19 Ų1989.9 Ų89.913%0.12847%0.469CS..EExtended strand (participates in β ladder)trans-89.8152169.9500000111.5C1156 R1172 E1176C1156-C1170 HydrophobicContact CB-CB 3.54Å; C1156-C1170 WeakPolarHBondContact CB-SG 3.21Å; C1156-C1170 WeakPolarHBondContact SG-CB 3.44Å; C1156-C1170 CovalentContact SG-SG 2.01Å; C1156-C1170 PolarHBondContact SG-SG 3.48Å; C1170-R1172 PolarHBondContact O-N 3.16Å; C1170-E1176 WeakPolarHBondContact CA-O 3.36Å
1171D76.6Confident66.3Low66 Ų6691.9 Ų91.935%0.35347%0.466SS..PPolyproline II helixtrans-66.1126.1159.3172.9-96000110.3F1173 T1174 G1175 E1176D1171-F1173 PolarHBondContact O-N 3.36Å; D1171-F1173 VanDerWaalsContact O-N 3.16Å; D1171-F1173 WeakPolarHBondContact OD1-CA 3.38Å; D1171-F1173 WeakPolarHBondContact OD1-CB 3.31Å; D1171-F1173 PolarHBondContact OD1-N 3.28Å; D1171-T1174 WeakPolarHBondContact CB-OG1 3.46Å; D1171-T1174 PolarHBondContact O-N 3.28Å; D1171-T1174 WeakPolarHBondContact OD1-CB 3.17Å; D1171-T1174 PolarHBondContact OD1-N 3.39Å; D1171-T1174 PolarHBondContact OD1-OG1 3.08Å; D1171-G1175 WeakPolarHBondContact O-CA 3.38Å; D1171-G1175 PolarHBondContact O-N 3.43Å; D1171-E1176 PolarHBondContact N-O 3.37Å
1172R71Confident67.2Low100 Ų10087.3 Ų87.338%0.37744%0.442SS..THydrogen-bonded Turntrans-63.8-21.9-173.369.8179.3-177.4-162.9-2.7114.8G1133 C1143 C1170G1133-R1172 VanDerWaalsContact CA-O 3.22Å; G1133-R1172 WeakPolarHBondContact CA-O 3.33Å; G1133-R1172 PolarHBondContact N-O 3.3Å; C1143-R1172 HydrophobicContact CB-CB 4.29Å; C1170-R1172 PolarHBondContact O-N 3.16Å
1173F79.5Confident68.3Low89 Ų8981.3 Ų81.339%0.3940%0.403SS..THydrogen-bonded Turntrans-94.4-36.6-177-63.5-65.7000112.1S1132 W1134 D1171S1132-F1173 WeakPolarHBondContact O-CD1 3.25Å; W1134-F1173 AromaticContact NE1-CE1 4Å; D1171-F1173 PolarHBondContact O-N 3.36Å; D1171-F1173 VanDerWaalsContact O-N 3.16Å; D1171-F1173 WeakPolarHBondContact OD1-CA 3.38Å; D1171-F1173 WeakPolarHBondContact OD1-CB 3.31Å; D1171-F1173 PolarHBondContact OD1-N 3.28Å
1174T79.8Confident69.3Low87 Ų8772.5 Ų72.553%0.53438%0.375SS..THydrogen-bonded Turntrans-113.9-17.1-168.760.30000114.6W1148 D1171 E1176W1148-T1174 VanDerWaalsContact CE3-C 3.47Å; W1148-T1174 VanDerWaalsContact CZ3-O 3.26Å; W1148-T1174 WeakPolarHBondContact CZ3-O 3.23Å; D1171-T1174 WeakPolarHBondContact CB-OG1 3.46Å; D1171-T1174 PolarHBondContact O-N 3.28Å; D1171-T1174 WeakPolarHBondContact OD1-CB 3.17Å; D1171-T1174 PolarHBondContact OD1-N 3.39Å; D1171-T1174 PolarHBondContact OD1-OG1 3.08Å; T1174-E1176 VanDerWaalsContact C-N 3.29Å; T1174-E1176 PolarHBondContact O-N 2.03Å
1175G73.5Confident70.6Confident14 Ų1469.7 Ų69.714%0.14437%0.365CS..  trans792179.100000115.5D1171 C1177D1171-G1175 WeakPolarHBondContact O-CA 3.38Å; D1171-G1175 PolarHBondContact O-N 3.43Å; G1175-C1177 PolarHBondContact O-N 3.45Å
1176E78.2Confident71.6Confident156 Ų15669 Ų6973%0.72936%0.36SS*.  trans-65.7121.4-178.2-171.7172.9-173.500111C1170 D1171 T1174 R1178C1170-E1176 WeakPolarHBondContact CA-O 3.36Å; D1171-E1176 PolarHBondContact N-O 3.37Å; T1174-E1176 VanDerWaalsContact C-N 3.29Å; T1174-E1176 PolarHBondContact O-N 2.03Å; E1176-R1178 PolarHBondContact O-N 3.09Å
1177C74.9Confident72.5Confident23 Ų2368.5 Ų68.516%0.15535%0.352CS..EExtended strand (participates in β ladder)trans-77.7117.2-176.1-710000112.2C1158 G1175C1158-C1177 WeakPolarHBondContact CA-SG 3.46Å; C1158-C1177 HydrophobicContact CB-CB 3.79Å; C1158-C1177 WeakPolarHBondContact CB-SG 2.93Å; C1158-C1177 VanDerWaalsContact SG-CA 3.54Å; C1158-C1177 WeakPolarHBondContact SG-CB 3.38Å; C1158-C1177 CovalentContact SG-SG 2.04Å; C1158-C1177 PolarHBondContact SG-SG 3.17Å; G1175-C1177 PolarHBondContact O-N 3.45Å
1178R77.5Confident73.3Confident206 Ų20666.8 Ų66.878%0.77734%0.335SS*.EExtended strand (participates in β ladder)trans-93.197.9172.6-158-179.9-165.2-163.94.4109E1169 E1176E1169-R1178 PolarHBondContact N-O 2.96Å; E1169-R1178 WeakPolarHBondContact O-CA 3.43Å; E1169-R1178 WeakPolarHBondContact O-CB 3.44Å; E1169-R1178 PolarHBondContact O-N 2.81Å; E1176-R1178 PolarHBondContact O-N 3.09Å
1179C69.7Low73.8Confident25 Ų2569.6 Ų69.617%0.16935%0.346CS..PPolyproline II helixtrans-68145-168.5-59.30000113.7F1183 C1188C1179-F1183 HydrophobicContact CB-CB 4.25Å; C1179-C1188 WeakPolarHBondContact CA-SG 3.46Å; C1179-C1188 HydrophobicContact CB-CB 3.81Å; C1179-C1188 WeakPolarHBondContact CB-SG 3.31Å; C1179-C1188 WeakPolarHBondContact SG-CA 3.45Å; C1179-C1188 WeakPolarHBondContact SG-CB 3.21Å; C1179-C1188 CovalentContact SG-SG 2.04Å; C1179-C1188 PolarHBondContact SG-SG 3.05Å
1180P65.6Low74.1Confident40 Ų4067.9 Ų67.926%0.2634%0.34SS..PPolyproline II helixtrans-60.9159.3168-11.326.4000109.5G1182 F1183P1180-G1182 PolarHBondContact O-N 3.14Å; P1180-F1183 HydrophobicContact CB-CD2 4.14Å; P1180-F1183 HydrophobicContact CG-CD2 4.09Å; P1180-F1183 PolarHBondContact O-N 2.84Å
1181Q73.2Confident73.8Confident108 Ų10873 Ų7351%0.50536%0.36SS..THydrogen-bonded Turntrans-53.1133.7165.3-61.6179.286.800108.4V1217Q1181-V1217 HydrophobicContact CB-CG1 3.97Å; Q1181-V1217 WeakPolarHBondContact O-CG2 3.4Å
1182G73.1Confident73.8Confident0 Ų070.3 Ų70.30%035%0.347CS..THydrogen-bonded Turntrans95.6-3.8-177.400000117.4P1180 C1192 G1198 P1216P1180-G1182 PolarHBondContact O-N 3.14Å; G1182-C1192 WeakPolarHBondContact CA-SG 3.42Å; G1182-C1192 PolarHBondContact O-N 3.22Å; G1182-C1192 PolarHBondContact O-SG 3.48Å; G1182-C1192 VanDerWaalsContact O-SG 3.37Å; G1182-G1198 PolarHBondContact N-O 3.14Å; G1182-P1216 WeakPolarHBondContact CA-O 3.03Å; G1182-P1216 PolarHBondContact N-O 2.81Å; G1182-P1216 VanDerWaalsContact O-CB 3.27Å; G1182-P1216 WeakPolarHBondContact O-CB 3.43Å
1183F74.1Confident74Confident28 Ų2868.8 Ų68.812%0.12335%0.35CS..EExtended strand (participates in β ladder)trans-129.4156.9175.5-62.3-98.9000112C1179 P1180 C1188 D1190 K1191C1179-F1183 HydrophobicContact CB-CB 4.25Å; P1180-F1183 HydrophobicContact CB-CD2 4.14Å; P1180-F1183 HydrophobicContact CG-CD2 4.09Å; P1180-F1183 PolarHBondContact O-N 2.84Å; F1183-C1188 HydrophobicContact CB-CB 4.02Å; F1183-C1188 VanDerWaalsContact CD1-O 3.28Å; F1183-C1188 WeakPolarHBondContact CD1-O 3.49Å; F1183-D1190 CarbonylContact C-O 3.58Å; F1183-D1190 WeakPolarHBondContact CA-O 3.42Å; F1183-K1191 HydrophobicContact CD1-CG 3.68Å; F1183-K1191 HydrophobicContact CE1-CD 4.08Å; F1183-K1191 HydrophobicContact CE1-CG 3.42Å; F1183-K1191 VanDerWaalsContact CE1-CG 3.42Å; F1183-K1191 HydrophobicContact CZ-CD 4.4Å; F1183-K1191 HydrophobicContact CZ-CG 4.09Å
1184T76.9Confident73.7Confident46 Ų4671.3 Ų71.328%0.28238%0.375SS..EExtended strand (participates in β ladder)trans-152.6179.9177.4-165.20000111C1188 Q1189 D1190T1184-C1188 CarbonylContact O-C 3.5Å; T1184-C1188 VanDerWaalsContact O-C 3.27Å; T1184-C1188 VanDerWaalsContact O-CA 3.26Å; T1184-C1188 WeakPolarHBondContact O-CA 3.02Å; T1184-Q1189 PolarHBondContact O-N 3.44Å; T1184-D1190 HydrophobicContact CG2-CB 3.96Å; T1184-D1190 PolarHBondContact N-O 3.19Å; T1184-D1190 PolarHBondContact O-N 2.64Å; T1184-D1190 VanDerWaalsContact O-N 3.1Å
1185G73.3Confident73.6Confident21 Ų2169 Ų6922%0.21637%0.369CS..SBendtrans84.2159.9-171.100000113.1R1187 C1188G1185-R1187 PolarHBondContact O-N 3.39Å; G1185-R1187 VanDerWaalsContact O-N 3.08Å; G1185-C1188 PolarHBondContact O-N 3.33Å
1186P72.8Confident74Confident115 Ų11573.6 Ų73.675%0.74738%0.382SS*.THydrogen-bonded Turntrans-66.7-11.9-170.727.2-36.9000115.1
1187R72.7Confident74.3Confident134 Ų13468.9 Ų68.951%0.50636%0.358SS..THydrogen-bonded Turntrans-116.313.4173.1-75-168.4171.3128.5-5.7112.4Q1157 C1158 S1159 G1185 Q1189Q1157-R1187 HydrophobicContact CB-CG 4.24Å; Q1157-R1187 CarbonylContact O-C 3.53Å; Q1157-R1187 WeakPolarHBondContact O-CA 3.23Å; Q1157-R1187 WeakPolarHBondContact O-CB 3.06Å; Q1157-R1187 WeakPolarHBondContact O-CG 3.45Å; C1158-R1187 CarbonylContact C-O 3.5Å; C1158-R1187 WeakPolarHBondContact CA-O 3.06Å; S1159-R1187 PolarHBondContact N-O 2.96Å; S1159-R1187 VanDerWaalsContact N-O 3.13Å; G1185-R1187 PolarHBondContact O-N 3.39Å; G1185-R1187 VanDerWaalsContact O-N 3.08Å; R1187-Q1189 HydrophobicContact CB-CB 4.1Å; R1187-Q1189 PolarHBondContact O-N 3.05Å
1188C72.8Confident74.1Confident1 Ų167.9 Ų67.91%0.00735%0.351CS..SBendtrans5028.2-167.4-47.60000112.7C1158 C1179 F1183 T1184 G1185 D1190C1158-C1188 WeakPolarHBondContact O-CB 3.02Å; C1179-C1188 WeakPolarHBondContact CA-SG 3.46Å; C1179-C1188 HydrophobicContact CB-CB 3.81Å; C1179-C1188 WeakPolarHBondContact CB-SG 3.31Å; C1179-C1188 WeakPolarHBondContact SG-CA 3.45Å; C1179-C1188 WeakPolarHBondContact SG-CB 3.21Å; C1179-C1188 CovalentContact SG-SG 2.04Å; C1179-C1188 PolarHBondContact SG-SG 3.05Å; F1183-C1188 HydrophobicContact CB-CB 4.02Å; F1183-C1188 VanDerWaalsContact CD1-O 3.28Å; F1183-C1188 WeakPolarHBondContact CD1-O 3.49Å; T1184-C1188 CarbonylContact O-C 3.5Å; T1184-C1188 VanDerWaalsContact O-C 3.27Å; T1184-C1188 VanDerWaalsContact O-CA 3.26Å; T1184-C1188 WeakPolarHBondContact O-CA 3.02Å; G1185-C1188 PolarHBondContact O-N 3.33Å; C1188-D1190 VanDerWaalsContact C-N 3.34Å
1189Q71.6Confident73.7Confident65 Ų6561.3 Ų61.330%0.30434%0.336SS..  trans-79.2-22.2-169.877.3-69.1-18.300112.5A1160 T1184 R1187A1160-Q1189 HydrophobicContact CB-CB 4.14Å; T1184-Q1189 PolarHBondContact O-N 3.44Å; R1187-Q1189 HydrophobicContact CB-CB 4.1Å; R1187-Q1189 PolarHBondContact O-N 3.05Å
1190D72.8Confident73.7Confident82 Ų8264.1 Ų64.144%0.43935%0.35SS..EExtended strand (participates in β ladder)trans-96109.6-179.9-56.5-42.4000108.4F1183 T1184 C1188F1183-D1190 CarbonylContact C-O 3.58Å; F1183-D1190 WeakPolarHBondContact CA-O 3.42Å; T1184-D1190 HydrophobicContact CG2-CB 3.96Å; T1184-D1190 PolarHBondContact N-O 3.19Å; T1184-D1190 PolarHBondContact O-N 2.64Å; T1184-D1190 VanDerWaalsContact O-N 3.1Å; C1188-D1190 VanDerWaalsContact C-N 3.34Å
1191K70.1Confident74.3Confident126 Ų12662.5 Ų62.555%0.54834%0.34SS..EExtended strand (participates in β ladder)trans-59.3148.3162.5-80.5-173174.4-175.80109F1183F1183-K1191 HydrophobicContact CD1-CG 3.68Å; F1183-K1191 HydrophobicContact CE1-CD 4.08Å; F1183-K1191 HydrophobicContact CE1-CG 3.42Å; F1183-K1191 VanDerWaalsContact CE1-CG 3.42Å; F1183-K1191 HydrophobicContact CZ-CD 4.4Å; F1183-K1191 HydrophobicContact CZ-CG 4.09Å
1192C76.8Confident74.6Confident11 Ų1164 Ų647%0.07434%0.344CS..PPolyproline II helixtrans-51.2131.6-177.5-68.10000111.8G1182 R1196 C1201 P1216G1182-C1192 WeakPolarHBondContact CA-SG 3.42Å; G1182-C1192 PolarHBondContact O-N 3.22Å; G1182-C1192 PolarHBondContact O-SG 3.48Å; G1182-C1192 VanDerWaalsContact O-SG 3.37Å; C1192-R1196 HydrophobicContact CB-CB 4.35Å; C1192-R1196 WeakPolarHBondContact CB-O 3.44Å; C1192-C1201 WeakPolarHBondContact CA-SG 3.18Å; C1192-C1201 HydrophobicContact CB-CB 3.67Å; C1192-C1201 WeakPolarHBondContact CB-SG 3.39Å; C1192-C1201 WeakPolarHBondContact SG-CA 3.31Å; C1192-C1201 WeakPolarHBondContact SG-CB 3.22Å; C1192-C1201 CovalentContact SG-SG 2.03Å; C1192-C1201 PolarHBondContact SG-SG 2.03Å; C1192-P1216 HydrophobicContact CB-CB 4.14Å
1193P75.2Confident74.8Confident68 Ų6868.1 Ų68.144%0.44237%0.366SS..PPolyproline II helixtrans-62.8147.6-174.926.2-35.1000110G1195 R1196P1193-G1195 PolarHBondContact O-N 3.44Å; P1193-R1196 HydrophobicContact CG-CB 4.44Å; P1193-R1196 PolarHBondContact O-N 3.11Å
1194P72.3Confident75.1Confident141 Ų14170.3 Ų70.392%0.91639%0.385SS*.THydrogen-bonded Turntrans-48.7122.3-170.3-3135.9000113.5
1195G77.9Confident75Confident39 Ų3969.5 Ų69.540%0.40238%0.381SS..THydrogen-bonded Turntrans96.24.4-175.900000115.6P1193 S1204 C1205P1193-G1195 PolarHBondContact O-N 3.44Å; G1195-S1204 CarbonylContact O-C 3.56Å; G1195-S1204 VanDerWaalsContact O-CA 3.29Å; G1195-S1204 WeakPolarHBondContact O-CA 3.31Å; G1195-C1205 PolarHBondContact O-N 2.97Å
1196R83.4Confident75.4Confident110 Ų11072 Ų7242%0.41539%0.393SS..EExtended strand (participates in β ladder)trans-121.4151.9173.7-69.4-176166.2-79.9-6.9113.2C1192 P1193 C1201 K1202 L1203C1192-R1196 HydrophobicContact CB-CB 4.35Å; C1192-R1196 WeakPolarHBondContact CB-O 3.44Å; P1193-R1196 HydrophobicContact CG-CB 4.44Å; P1193-R1196 PolarHBondContact O-N 3.11Å; R1196-C1201 HydrophobicContact CB-CB 4.18Å; R1196-C1201 WeakPolarHBondContact CD-O 3.23Å; R1196-C1201 PolarHBondContact NH1-O 2.97Å; R1196-K1202 PolarHBondContact NH1-O 2.8Å; R1196-L1203 VanDerWaalsContact CA-O 3.3Å; R1196-L1203 WeakPolarHBondContact CA-O 3.32Å; R1196-L1203 WeakPolarHBondContact CB-O 3.32Å
1197Y82.9Confident75.6Confident58 Ų5868.1 Ų68.123%0.22737%0.368CS..EExtended strand (participates in β ladder)trans-150.2176.7-179.580.4-89000113.1C1201 K1202 L1203 S1204 P1216 T1218Y1197-C1201 CarbonylContact O-C 3.53Å; Y1197-C1201 WeakPolarHBondContact O-CA 3.39Å; Y1197-K1202 PolarHBondContact O-N 3.26Å; Y1197-L1203 HydrophobicContact CD1-CB 3.61Å; Y1197-L1203 HydrophobicContact CD2-CB 4.01Å; Y1197-L1203 HydrophobicContact CD2-CD1 3.91Å; Y1197-L1203 HydrophobicContact CE1-CB 3.45Å; Y1197-L1203 VanDerWaalsContact CE1-CB 3.45Å; Y1197-L1203 HydrophobicContact CE1-CD1 4.4Å; Y1197-L1203 HydrophobicContact CE2-CB 3.88Å; Y1197-L1203 HydrophobicContact CE2-CD1 3.36Å; Y1197-L1203 HydrophobicContact CE2-CG 4.25Å; Y1197-L1203 HydrophobicContact CG-CB 3.9Å; Y1197-L1203 PolarHBondContact N-O 2.91Å; Y1197-L1203 WeakPolarHBondContact O-CB 3.03Å; Y1197-L1203 PolarHBondContact O-N 3.08Å; Y1197-S1204 WeakPolarHBondContact CE1-O 3.47Å; Y1197-P1216 CarbonylContact C-O 3.56Å; Y1197-P1216 VanDerWaalsContact CA-O 3.24Å; Y1197-P1216 WeakPolarHBondContact CA-O 3.41Å; Y1197-P1216 VanDerWaalsContact CB-O 3.32Å; Y1197-P1216 WeakPolarHBondContact CB-O 3.17Å; Y1197-T1218 VanDerWaalsContact CD2-C 3.45Å; Y1197-T1218 VanDerWaalsContact CE2-O 3.23Å; Y1197-T1218 WeakPolarHBondContact CE2-O 3.38Å
1198G71.3Confident76Confident1 Ų167.9 Ų67.91%0.0137%0.373CS..SBendtrans83.7-172.5176.100000113.7G1182 C1201 P1216G1182-G1198 PolarHBondContact N-O 3.14Å; G1198-C1201 PolarHBondContact O-N 3.09Å; G1198-P1216 PolarHBondContact N-O 2.87Å
1199S68.8Low76.2Confident68 Ų6871.1 Ų71.148%0.47639%0.387SS..G310 helixtrans-64.6135.3175.446.30000111.5C1201 K1202S1199-C1201 PolarHBondContact O-N 2.96Å; S1199-K1202 PolarHBondContact O-N 2.85Å
1200D71.1Confident76.3Confident84 Ų8473.9 Ų73.945%0.44941%0.41SS..G310 helixtrans49.123.2-170.3-50-42.8000114.6K1202D1200-K1202 HydrophobicContact CB-CD 3.92Å; D1200-K1202 HydrophobicContact CB-CG 4.12Å; D1200-K1202 PolarHBondContact O-N 2.95Å; D1200-K1202 WeakPolarHBondContact OD2-CE 3.29Å; D1200-K1202 IonicContact OD2-NZ 3.44Å; D1200-K1202 PolarHBondContact OD2-NZ 3.01Å
1201C76.3Confident76.1Confident7 Ų773 Ų735%0.04742%0.42CS..G310 helixtrans57.129.6-179.9-49.90000114.6C1192 R1196 Y1197 G1198 S1199 L1203C1192-C1201 WeakPolarHBondContact CA-SG 3.18Å; C1192-C1201 HydrophobicContact CB-CB 3.67Å; C1192-C1201 WeakPolarHBondContact CB-SG 3.39Å; C1192-C1201 WeakPolarHBondContact SG-CA 3.31Å; C1192-C1201 WeakPolarHBondContact SG-CB 3.22Å; C1192-C1201 CovalentContact SG-SG 2.03Å; C1192-C1201 PolarHBondContact SG-SG 2.03Å; R1196-C1201 HydrophobicContact CB-CB 4.18Å; R1196-C1201 WeakPolarHBondContact CD-O 3.23Å; R1196-C1201 PolarHBondContact NH1-O 2.97Å; Y1197-C1201 CarbonylContact O-C 3.53Å; Y1197-C1201 WeakPolarHBondContact O-CA 3.39Å; G1198-C1201 PolarHBondContact O-N 3.09Å; S1199-C1201 PolarHBondContact O-N 2.96Å; C1201-L1203 PolarHBondContact O-N 3.44Å
1202K80.1Confident76.2Confident139 Ų13968.1 Ų68.160%0.60440%0.403SS*.  trans-73.4-25.5-172.9-76.7163.1176.8159.10113.8R1196 Y1197 S1199 D1200R1196-K1202 PolarHBondContact NH1-O 2.8Å; Y1197-K1202 PolarHBondContact O-N 3.26Å; S1199-K1202 PolarHBondContact O-N 2.85Å; D1200-K1202 HydrophobicContact CB-CD 3.92Å; D1200-K1202 HydrophobicContact CB-CG 4.12Å; D1200-K1202 PolarHBondContact O-N 2.95Å; D1200-K1202 WeakPolarHBondContact OD2-CE 3.29Å; D1200-K1202 IonicContact OD2-NZ 3.44Å; D1200-K1202 PolarHBondContact OD2-NZ 3.01Å
1203L77.3Confident76.2Confident86 Ų8676.5 Ų76.545%0.4543%0.433SS..EExtended strand (participates in β ladder)trans-88.7171.4-178.2-53.4175.8000111.5R1196 Y1197 C1201R1196-L1203 VanDerWaalsContact CA-O 3.3Å; R1196-L1203 WeakPolarHBondContact CA-O 3.32Å; R1196-L1203 WeakPolarHBondContact CB-O 3.32Å; Y1197-L1203 HydrophobicContact CD1-CB 3.61Å; Y1197-L1203 HydrophobicContact CD2-CB 4.01Å; Y1197-L1203 HydrophobicContact CD2-CD1 3.91Å; Y1197-L1203 HydrophobicContact CE1-CB 3.45Å; Y1197-L1203 VanDerWaalsContact CE1-CB 3.45Å; Y1197-L1203 HydrophobicContact CE1-CD1 4.4Å; Y1197-L1203 HydrophobicContact CE2-CB 3.88Å; Y1197-L1203 HydrophobicContact CE2-CD1 3.36Å; Y1197-L1203 HydrophobicContact CE2-CG 4.25Å; Y1197-L1203 HydrophobicContact CG-CB 3.9Å; Y1197-L1203 PolarHBondContact N-O 2.91Å; Y1197-L1203 WeakPolarHBondContact O-CB 3.03Å; Y1197-L1203 PolarHBondContact O-N 3.08Å; C1201-L1203 PolarHBondContact O-N 3.44Å
1204S81.1Confident76.2Confident75 Ų7574.3 Ų74.352%0.52442%0.419SS..EExtended strand (participates in β ladder)trans-138136.7-176-61.30000112.2G1195 Y1197G1195-S1204 CarbonylContact O-C 3.56Å; G1195-S1204 VanDerWaalsContact O-CA 3.29Å; G1195-S1204 WeakPolarHBondContact O-CA 3.31Å; Y1197-S1204 WeakPolarHBondContact CE1-O 3.47Å
1205C74.1Confident76.2Confident29 Ų2970 Ų7020%0.19639%0.388CS..  trans-82.3140.5-161.4-56.90000113.9G1195 C1207 C1214G1195-C1205 PolarHBondContact O-N 2.97Å; C1205-C1207 PolarHBondContact O-N 2.83Å; C1205-C1214 HydrophobicContact CB-CB 3.46Å; C1205-C1214 VanDerWaalsContact CB-CB 3.46Å; C1205-C1214 WeakPolarHBondContact CB-SG 3.5Å; C1205-C1214 WeakPolarHBondContact SG-CB 3.43Å; C1205-C1214 CovalentContact SG-SG 2.02Å; C1205-C1214 PolarHBondContact SG-SG 2.89Å
1206P81.4Confident76Confident74 Ų7469.8 Ų69.848%0.48138%0.38SS..  trans-89.58.2-172.836.6-37.6000115.2T1231P1206-T1231 HydrophobicContact CB-CG2 4.01Å; P1206-T1231 HydrophobicContact CG-CG2 4.31Å; P1206-T1231 WeakPolarHBondContact O-CB 3.48Å; P1206-T1231 WeakPolarHBondContact O-CG2 3.39Å
1207C78.5Confident75.6Confident32 Ų3267 Ų6722%0.21637%0.374CS..  trans-72.7131.3-166.2-39.70000113.5C1205 S1212 C1221C1205-C1207 PolarHBondContact O-N 2.83Å; C1207-S1212 WeakPolarHBondContact CB-OG 3.24Å; C1207-C1221 WeakPolarHBondContact CA-SG 3.46Å; C1207-C1221 HydrophobicContact CB-CB 3.8Å; C1207-C1221 WeakPolarHBondContact CB-SG 3.38Å; C1207-C1221 PolarHBondContact N-SG 3.27Å; C1207-C1221 WeakPolarHBondContact SG-CB 3.01Å; C1207-C1221 CovalentContact SG-SG 2.03Å; C1207-C1221 PolarHBondContact SG-SG 3.14Å
1208Q81.3Confident75.3Confident130 Ų13068 Ų6861%0.60739%0.387SS*.  trans-90.9-19.6-172.8-66.3-174.944.400115.1T1231Q1208-T1231 PolarHBondContact N-O 3.3Å; Q1208-T1231 PolarHBondContact NE2-OG1 3.47Å
1209K75.5Confident75.5Confident68 Ų6868.3 Ų68.330%0.29639%0.39SS..SBendtrans-101.7130-171.4-75.9-71173.7165.80113.4G1211 S1212 P1224 W1227 C1232K1209-G1211 PolarHBondContact O-N 2.82Å; K1209-S1212 WeakPolarHBondContact O-CB 3.23Å; K1209-S1212 PolarHBondContact O-N 3Å; K1209-S1212 PolarHBondContact O-OG 2.6Å; K1209-P1224 HydrophobicContact CB-CG 4.39Å; K1209-W1227 HydrophobicContact CD-CD2 4.22Å; K1209-W1227 HydrophobicContact CD-CE3 4.07Å; K1209-W1227 HydrophobicContact CD-CH2 4.44Å; K1209-W1227 HydrophobicContact CD-CZ2 4.48Å; K1209-W1227 HydrophobicContact CD-CZ3 4.21Å; K1209-W1227 HydrophobicContact CG-CD2 4.2Å; K1209-W1227 HydrophobicContact CG-CE3 4.09Å; K1209-C1232 HydrophobicContact CB-CB 4.28Å; K1209-C1232 HydrophobicContact CG-CB 4.37Å; K1209-C1232 WeakPolarHBondContact CG-O 3.27Å
1210P74.7Confident76Confident123 Ų12367.7 Ų67.780%0.79939%0.389SS*.THydrogen-bonded Turntrans-52.2133167.3-24.834.6000110.7
1211G69Low76.4Confident63 Ų6364.2 Ų64.265%0.64937%0.371SS*.THydrogen-bonded Turntrans88-11.4-176.300000115.6K1209 R1213K1209-G1211 PolarHBondContact O-N 2.82Å; G1211-R1213 PolarHBondContact O-N 3.42Å
1212S71.8Confident76.6Confident25 Ų2568 Ų6818%0.17539%0.388CS..  trans-64133.4169.666.70000110.9C1207 K1209 E1222C1207-S1212 WeakPolarHBondContact CB-OG 3.24Å; K1209-S1212 WeakPolarHBondContact O-CB 3.23Å; K1209-S1212 PolarHBondContact O-N 3Å; K1209-S1212 PolarHBondContact O-OG 2.6Å; S1212-E1222 CarbonylContact C-O 3.58Å; S1212-E1222 WeakPolarHBondContact CA-O 3.2Å
1213R75.7Confident76.6Confident186 Ų18661.6 Ų61.670%0.70236%0.361SS*.EExtended strand (participates in β ladder)trans-97.9110.6175.1-73.4-179.3166.4-150.6-4.9108.8G1211 D1215 E1222G1211-R1213 PolarHBondContact O-N 3.42Å; R1213-D1215 PolarHBondContact O-N 3.43Å; R1213-E1222 HydrophobicContact CB-CB 4.2Å; R1213-E1222 PolarHBondContact N-O 3.46Å; R1213-E1222 VanDerWaalsContact O-CA 3.29Å; R1213-E1222 WeakPolarHBondContact O-CA 3.21Å; R1213-E1222 WeakPolarHBondContact O-CB 3.37Å; R1213-E1222 PolarHBondContact O-N 2.81Å
1214C75.9Confident76.5Confident23 Ų2358.4 Ų58.416%0.15535%0.345CS..EExtended strand (participates in β ladder)trans-61.9129165.2-177.10000109.5C1205 P1216C1205-C1214 HydrophobicContact CB-CB 3.46Å; C1205-C1214 VanDerWaalsContact CB-CB 3.46Å; C1205-C1214 WeakPolarHBondContact CB-SG 3.5Å; C1205-C1214 WeakPolarHBondContact SG-CB 3.43Å; C1205-C1214 CovalentContact SG-SG 2.02Å; C1205-C1214 PolarHBondContact SG-SG 2.89Å; C1214-P1216 VanDerWaalsContact O-CD 3.24Å; C1214-P1216 WeakPolarHBondContact O-CD 3.11Å
1215D72.7Confident76.3Confident51 Ų5157.5 Ų57.527%0.27334%0.337SS..  trans-60.2116.5165.9172.811000108.5R1213 V1217 T1218 G1219 A1220R1213-D1215 PolarHBondContact O-N 3.43Å; D1215-V1217 PolarHBondContact O-N 2.93Å; D1215-V1217 WeakPolarHBondContact OD1-CB 3.48Å; D1215-V1217 PolarHBondContact OD1-N 2.91Å; D1215-T1218 VanDerWaalsContact OD2-CB 3.29Å; D1215-T1218 WeakPolarHBondContact OD2-CB 3.05Å; D1215-T1218 VanDerWaalsContact OD2-CG2 3.28Å; D1215-T1218 WeakPolarHBondContact OD2-CG2 3Å; D1215-T1218 PolarHBondContact OD2-N 2.98Å; D1215-T1218 VanDerWaalsContact OD2-N 3.12Å; D1215-T1218 PolarHBondContact OD2-OG1 3.15Å; D1215-G1219 WeakPolarHBondContact O-CA 3.32Å; D1215-G1219 PolarHBondContact O-N 2.8Å; D1215-A1220 HydrophobicContact CB-CB 4.43Å; D1215-A1220 WeakPolarHBondContact CB-O 3.41Å; D1215-A1220 PolarHBondContact N-O 2.96Å
1216P73Confident76.5Confident34 Ų3456.1 Ų56.122%0.22133%0.328CS..THydrogen-bonded Turntrans-58.9-31.1178.3-24.837.1000112.7G1182 C1192 Y1197 G1198 C1214G1182-P1216 WeakPolarHBondContact CA-O 3.03Å; G1182-P1216 PolarHBondContact N-O 2.81Å; G1182-P1216 VanDerWaalsContact O-CB 3.27Å; G1182-P1216 WeakPolarHBondContact O-CB 3.43Å; C1192-P1216 HydrophobicContact CB-CB 4.14Å; Y1197-P1216 CarbonylContact C-O 3.56Å; Y1197-P1216 VanDerWaalsContact CA-O 3.24Å; Y1197-P1216 WeakPolarHBondContact CA-O 3.41Å; Y1197-P1216 VanDerWaalsContact CB-O 3.32Å; Y1197-P1216 WeakPolarHBondContact CB-O 3.17Å; G1198-P1216 PolarHBondContact N-O 2.87Å; C1214-P1216 VanDerWaalsContact O-CD 3.24Å; C1214-P1216 WeakPolarHBondContact O-CD 3.11Å
1217V74.4Confident76.7Confident50 Ų5054.6 Ų54.630%0.30331%0.313SS..THydrogen-bonded Turntrans-71-66.5-179.1-174.40000109.9Q1181 D1215Q1181-V1217 HydrophobicContact CB-CG1 3.97Å; Q1181-V1217 WeakPolarHBondContact O-CG2 3.4Å; D1215-V1217 PolarHBondContact O-N 2.93Å; D1215-V1217 WeakPolarHBondContact OD1-CB 3.48Å; D1215-V1217 PolarHBondContact OD1-N 2.91Å
1218T77.6Confident76.8Confident81 Ų8156.1 Ų56.150%0.49732%0.316SS..THydrogen-bonded Turntrans-95-18.3-166.767.50000114.6Y1197 D1215 A1220Y1197-T1218 VanDerWaalsContact CD2-C 3.45Å; Y1197-T1218 VanDerWaalsContact CE2-O 3.23Å; Y1197-T1218 WeakPolarHBondContact CE2-O 3.38Å; D1215-T1218 VanDerWaalsContact OD2-CB 3.29Å; D1215-T1218 WeakPolarHBondContact OD2-CB 3.05Å; D1215-T1218 VanDerWaalsContact OD2-CG2 3.28Å; D1215-T1218 WeakPolarHBondContact OD2-CG2 3Å; D1215-T1218 PolarHBondContact OD2-N 2.98Å; D1215-T1218 VanDerWaalsContact OD2-N 3.12Å; D1215-T1218 PolarHBondContact OD2-OG1 3.15Å; T1218-A1220 VanDerWaalsContact OG1-CB 3.24Å; T1218-A1220 WeakPolarHBondContact OG1-CB 3.43Å; T1218-A1220 PolarHBondContact OG1-N 2.03Å; T1218-A1220 VanDerWaalsContact OG1-N 3.16Å
1219G76.1Confident76.6Confident6 Ų651 Ų516%0.06230%0.298CS..  trans80.9-2.4-169.900000114.6D1215D1215-G1219 WeakPolarHBondContact O-CA 3.32Å; D1215-G1219 PolarHBondContact O-N 2.8Å
1220A78.2Confident76.6Confident55 Ų5556.3 Ų56.346%0.45532%0.323SS..  trans-62136.5176.100000110.8D1215 T1218 E1222D1215-A1220 HydrophobicContact CB-CB 4.43Å; D1215-A1220 WeakPolarHBondContact CB-O 3.41Å; D1215-A1220 PolarHBondContact N-O 2.96Å; T1218-A1220 VanDerWaalsContact OG1-CB 3.24Å; T1218-A1220 WeakPolarHBondContact OG1-CB 3.43Å; T1218-A1220 PolarHBondContact OG1-N 2.03Å; T1218-A1220 VanDerWaalsContact OG1-N 3.16Å; A1220-E1222 PolarHBondContact O-N 3.42Å
1221C80.8Confident77Confident12 Ų1251.8 Ų51.88%0.08129%0.294CS..EExtended strand (participates in β ladder)trans-82.3106.4-178.3-61.50000110.7C1207 C1223 E1230 C1232C1207-C1221 WeakPolarHBondContact CA-SG 3.46Å; C1207-C1221 HydrophobicContact CB-CB 3.8Å; C1207-C1221 WeakPolarHBondContact CB-SG 3.38Å; C1207-C1221 PolarHBondContact N-SG 3.27Å; C1207-C1221 WeakPolarHBondContact SG-CB 3.01Å; C1207-C1221 CovalentContact SG-SG 2.03Å; C1207-C1221 PolarHBondContact SG-SG 3.14Å; C1221-C1223 PolarHBondContact O-N 3.02Å; C1221-C1223 PolarHBondContact O-SG 2.9Å; C1221-C1223 VanDerWaalsContact O-SG 3.39Å; C1221-E1230 WeakPolarHBondContact CB-O 3.47Å; C1221-E1230 PolarHBondContact SG-O 3.02Å; C1221-E1230 VanDerWaalsContact SG-O 3.37Å; C1221-C1232 WeakPolarHBondContact CB-SG 3.05Å
1222E78.4Confident77.5Confident87 Ų8748.8 Ų48.841%0.40726%0.263SS..EExtended strand (participates in β ladder)trans-71.2107.8165.3-159.9-172.6-149.700108.6S1212 R1213 A1220 N1244S1212-E1222 CarbonylContact C-O 3.58Å; S1212-E1222 WeakPolarHBondContact CA-O 3.2Å; R1213-E1222 HydrophobicContact CB-CB 4.2Å; R1213-E1222 PolarHBondContact N-O 3.46Å; R1213-E1222 VanDerWaalsContact O-CA 3.29Å; R1213-E1222 WeakPolarHBondContact O-CA 3.21Å; R1213-E1222 WeakPolarHBondContact O-CB 3.37Å; R1213-E1222 PolarHBondContact O-N 2.81Å; A1220-E1222 PolarHBondContact O-N 3.42Å; E1222-N1244 WeakPolarHBondContact CA-OD1 3.27Å; E1222-N1244 WeakPolarHBondContact CG-ND2 3.44Å
1223C80.8Confident78Confident4 Ų450.4 Ų50.43%0.02727%0.268CS..PPolyproline II helixtrans-77.6140.1-170.4-600000111.8C1221 W1227 C1232 N1244C1221-C1223 PolarHBondContact O-N 3.02Å; C1221-C1223 PolarHBondContact O-SG 2.9Å; C1221-C1223 VanDerWaalsContact O-SG 3.39Å; C1223-W1227 HydrophobicContact CB-CB 4.08Å; C1223-W1227 WeakPolarHBondContact CB-O 3.26Å; C1223-C1232 WeakPolarHBondContact CA-SG 3.07Å; C1223-C1232 HydrophobicContact CB-CB 3.76Å; C1223-C1232 WeakPolarHBondContact CB-SG 3.07Å; C1223-C1232 WeakPolarHBondContact SG-CA 3.36Å; C1223-C1232 WeakPolarHBondContact SG-CB 3.5Å; C1223-C1232 CovalentContact SG-SG 2.04Å; C1223-C1232 PolarHBondContact SG-SG 3.32Å; C1223-N1244 PolarHBondContact N-OD1 3.38Å; C1223-N1244 PolarHBondContact O-N 2.81Å
1224P75.7Confident78.2Confident19 Ų1948 Ų4812%0.12326%0.259CS..PPolyproline II helixtrans-61158177.329.2-30.9000108.6K1209 G1226 W1227K1209-P1224 HydrophobicContact CB-CG 4.39Å; P1224-G1226 PolarHBondContact O-N 2.95Å; P1224-G1226 VanDerWaalsContact O-N 3.17Å; P1224-W1227 HydrophobicContact CG-CB 4.31Å; P1224-W1227 HydrophobicContact CG-CG 4.2Å; P1224-W1227 PolarHBondContact O-N 3.27Å; P1224-W1227 VanDerWaalsContact O-N 3.08Å
1225P76.7Confident78.3Confident55 Ų5550.1 Ų50.136%0.35727%0.272SS..THydrogen-bonded Turntrans-47.7128.1-178.4-27.734.8000111.3G1242 T1243 E1260P1225-G1242 WeakPolarHBondContact CA-O 3Å; P1225-T1243 HydrophobicContact CG-CG2 4Å; P1225-E1260 HydrophobicContact CB-CB 4.36Å; P1225-E1260 WeakPolarHBondContact CB-O 3.29Å; P1225-E1260 WeakPolarHBondContact O-CA 3.03Å; P1225-E1260 WeakPolarHBondContact O-CB 3.45Å; P1225-E1260 VanDerWaalsContact O-CG 3.26Å; P1225-E1260 WeakPolarHBondContact O-CG 3.25Å
1226G79.2Confident78.7Confident0 Ų048.5 Ų48.50%026%0.264CS..THydrogen-bonded Turntrans91.94.718000000117.1P1224 P1235 C1236 G1242 H1259P1224-G1226 PolarHBondContact O-N 2.95Å; P1224-G1226 VanDerWaalsContact O-N 3.17Å; G1226-P1235 CarbonylContact O-C 3.52Å; G1226-P1235 VanDerWaalsContact O-CA 3.3Å; G1226-P1235 WeakPolarHBondContact O-CA 3.31Å; G1226-C1236 WeakPolarHBondContact CA-SG 3.26Å; G1226-C1236 PolarHBondContact O-N 3.1Å; G1226-G1242 PolarHBondContact N-O 2.86Å; G1226-G1242 VanDerWaalsContact N-O 3.07Å; G1226-H1259 WeakPolarHBondContact CA-ND1 3.11Å; G1226-H1259 WeakPolarHBondContact CA-O 3.01Å; G1226-H1259 PolarHBondContact N-O 3.41Å; G1226-H1259 PolarHBondContact O-ND1 2.04Å
1227W84.2Confident78.9Confident42 Ų4252.4 Ų52.416%0.15928%0.283CS..EExtended strand (participates in β ladder)trans-127.9153.2179.7-59.781.5000112.9K1209 C1223 P1224 C1232 R1234 P1235 C1245 H1259 E1260K1209-W1227 HydrophobicContact CD-CD2 4.22Å; K1209-W1227 HydrophobicContact CD-CE3 4.07Å; K1209-W1227 HydrophobicContact CD-CH2 4.44Å; K1209-W1227 HydrophobicContact CD-CZ2 4.48Å; K1209-W1227 HydrophobicContact CD-CZ3 4.21Å; K1209-W1227 HydrophobicContact CG-CD2 4.2Å; K1209-W1227 HydrophobicContact CG-CE3 4.09Å; C1223-W1227 HydrophobicContact CB-CB 4.08Å; C1223-W1227 WeakPolarHBondContact CB-O 3.26Å; P1224-W1227 HydrophobicContact CG-CB 4.31Å; P1224-W1227 HydrophobicContact CG-CG 4.2Å; P1224-W1227 PolarHBondContact O-N 3.27Å; P1224-W1227 VanDerWaalsContact O-N 3.08Å; W1227-C1232 HydrophobicContact CB-CB 4.49Å; W1227-R1234 CarbonylContact C-O 3.29Å; W1227-R1234 VanDerWaalsContact CA-O 3.25Å; W1227-R1234 WeakPolarHBondContact CA-O 3.47Å; W1227-R1234 VanDerWaalsContact CE3-C 3.43Å; W1227-P1235 HydrophobicContact CE3-CB 4.39Å; W1227-P1235 HydrophobicContact CH2-CB 4.38Å; W1227-P1235 HydrophobicContact CZ3-CB 4.15Å; W1227-C1245 PolarHBondContact O-SG 3.19Å; W1227-H1259 AromaticContact NE1-CE1 3.96Å; W1227-E1260 PolarHBondContact NE1-OE1 3.44Å
1228F82Confident78.9Confident64 Ų6457.2 Ų57.228%0.28131%0.306SS..EExtended strand (participates in β ladder)trans-149.1177.9174.487.5-76.3000112.4C1232 E1233 R1234 P1235 L1237F1228-C1232 CarbonylContact O-C 3.22Å; F1228-C1232 VanDerWaalsContact O-C 3.3Å; F1228-C1232 WeakPolarHBondContact O-CA 3.22Å; F1228-E1233 PolarHBondContact O-N 2.74Å; F1228-R1234 HydrophobicContact CD1-CB 3.72Å; F1228-R1234 HydrophobicContact CE1-CB 3.51Å; F1228-R1234 HydrophobicContact CE1-CG 4.4Å; F1228-R1234 HydrophobicContact CG-CB 4.42Å; F1228-R1234 HydrophobicContact CZ-CB 4.06Å; F1228-R1234 HydrophobicContact CZ-CG 4.49Å; F1228-R1234 PolarHBondContact N-O 2.7Å; F1228-R1234 PolarHBondContact O-N 3.29Å; F1228-P1235 VanDerWaalsContact CD1-O 3.27Å; F1228-P1235 WeakPolarHBondContact CD1-O 3.19Å; F1228-P1235 WeakPolarHBondContact CE1-O 3.28Å; F1228-L1237 HydrophobicContact CE1-CD2 4.28Å; F1228-L1237 HydrophobicContact CE1-CG 4.08Å; F1228-L1237 HydrophobicContact CZ-CD1 4.44Å; F1228-L1237 HydrophobicContact CZ-CD2 4.23Å; F1228-L1237 HydrophobicContact CZ-CG 4.09Å
1229G75.8Confident78.7Confident22 Ų2254.6 Ų54.623%0.22730%0.295CS..SBendtrans106.2156.1-173.200000110.9T1231 C1232G1229-T1231 PolarHBondContact O-N 3.37Å; G1229-C1232 PolarHBondContact O-N 2.87Å
1230E76.4Confident79Confident180 Ų18057.8 Ų57.884%0.84131%0.308SS*.THydrogen-bonded Turntrans-56.6-26.8-178.2-73.9-174.1125.700112.9C1221C1221-E1230 WeakPolarHBondContact CB-O 3.47Å; C1221-E1230 PolarHBondContact SG-O 3.02Å; C1221-E1230 VanDerWaalsContact SG-O 3.37Å
1231T82Confident79.3Confident28 Ų2857.2 Ų57.217%0.17229%0.294CS..THydrogen-bonded Turntrans-116.915.8177.765.80000112.8P1206 Q1208 G1229 E1233P1206-T1231 HydrophobicContact CB-CG2 4.01Å; P1206-T1231 HydrophobicContact CG-CG2 4.31Å; P1206-T1231 WeakPolarHBondContact O-CB 3.48Å; P1206-T1231 WeakPolarHBondContact O-CG2 3.39Å; Q1208-T1231 PolarHBondContact N-O 3.3Å; Q1208-T1231 PolarHBondContact NE2-OG1 3.47Å; G1229-T1231 PolarHBondContact O-N 3.37Å; T1231-E1233 WeakPolarHBondContact CA-OE2 3.35Å; T1231-E1233 PolarHBondContact N-OE2 2.97Å; T1231-E1233 PolarHBondContact O-N 2.69Å; T1231-E1233 PolarHBondContact OG1-OE2 3.29Å
1232C79.9Confident78.9Confident0 Ų056.9 Ų56.90%029%0.293CS..SBendtrans59.229.3-174.7-52.40000114.7K1209 C1221 C1223 W1227 F1228 G1229 R1234K1209-C1232 HydrophobicContact CB-CB 4.28Å; K1209-C1232 HydrophobicContact CG-CB 4.37Å; K1209-C1232 WeakPolarHBondContact CG-O 3.27Å; C1221-C1232 WeakPolarHBondContact CB-SG 3.05Å; C1223-C1232 WeakPolarHBondContact CA-SG 3.07Å; C1223-C1232 HydrophobicContact CB-CB 3.76Å; C1223-C1232 WeakPolarHBondContact CB-SG 3.07Å; C1223-C1232 WeakPolarHBondContact SG-CA 3.36Å; C1223-C1232 WeakPolarHBondContact SG-CB 3.5Å; C1223-C1232 CovalentContact SG-SG 2.04Å; C1223-C1232 PolarHBondContact SG-SG 3.32Å; W1227-C1232 HydrophobicContact CB-CB 4.49Å; F1228-C1232 CarbonylContact O-C 3.22Å; F1228-C1232 VanDerWaalsContact O-C 3.3Å; F1228-C1232 WeakPolarHBondContact O-CA 3.22Å; G1229-C1232 PolarHBondContact O-N 2.87Å; C1232-R1234 VanDerWaalsContact C-N 3.28Å; C1232-R1234 PolarHBondContact O-N 3.2Å
1233E81.6Confident78.9Confident59 Ų5955.4 Ų55.428%0.27629%0.29SS..  trans-77.4-5.6-171.874-65.5156.400114.9F1228 T1231F1228-E1233 PolarHBondContact O-N 2.74Å; T1231-E1233 WeakPolarHBondContact CA-OE2 3.35Å; T1231-E1233 PolarHBondContact N-OE2 2.97Å; T1231-E1233 PolarHBondContact O-N 2.69Å; T1231-E1233 PolarHBondContact OG1-OE2 3.29Å
1234R80.1Confident78.5Confident137 Ų13757.3 Ų57.352%0.51730%0.3SS..EExtended strand (participates in β ladder)trans-125.1141-172.4-49.7179.3-168.1-133.7-2.6112.1W1227 F1228 C1232W1227-R1234 CarbonylContact C-O 3.29Å; W1227-R1234 VanDerWaalsContact CA-O 3.25Å; W1227-R1234 WeakPolarHBondContact CA-O 3.47Å; W1227-R1234 VanDerWaalsContact CE3-C 3.43Å; F1228-R1234 HydrophobicContact CD1-CB 3.72Å; F1228-R1234 HydrophobicContact CE1-CB 3.51Å; F1228-R1234 HydrophobicContact CE1-CG 4.4Å; F1228-R1234 HydrophobicContact CG-CB 4.42Å; F1228-R1234 HydrophobicContact CZ-CB 4.06Å; F1228-R1234 HydrophobicContact CZ-CG 4.49Å; F1228-R1234 PolarHBondContact N-O 2.7Å; F1228-R1234 PolarHBondContact O-N 3.29Å; C1232-R1234 VanDerWaalsContact C-N 3.28Å; C1232-R1234 PolarHBondContact O-N 3.2Å
1235P79.7Confident78.8Confident67 Ų6757.2 Ų57.244%0.43530%0.299SS..EExtended strand (participates in β ladder)trans-73.215916933.3-35.3000110.8G1226 W1227 F1228G1226-P1235 CarbonylContact O-C 3.52Å; G1226-P1235 VanDerWaalsContact O-CA 3.3Å; G1226-P1235 WeakPolarHBondContact O-CA 3.31Å; W1227-P1235 HydrophobicContact CE3-CB 4.39Å; W1227-P1235 HydrophobicContact CH2-CB 4.38Å; W1227-P1235 HydrophobicContact CZ3-CB 4.15Å; F1228-P1235 VanDerWaalsContact CD1-O 3.27Å; F1228-P1235 WeakPolarHBondContact CD1-O 3.19Å; F1228-P1235 WeakPolarHBondContact CE1-O 3.28Å
1236C79.4Confident78.8Confident17 Ų1762.3 Ų62.312%0.11532%0.316CS..PPolyproline II helixtrans-54.7145179.2-65.60000113.5G1226 F1240 C1245 H1259G1226-C1236 WeakPolarHBondContact CA-SG 3.26Å; G1226-C1236 PolarHBondContact O-N 3.1Å; C1236-F1240 VanDerWaalsContact CB-O 3.23Å; C1236-F1240 WeakPolarHBondContact CB-O 3.43Å; C1236-C1245 WeakPolarHBondContact CA-SG 3.05Å; C1236-C1245 HydrophobicContact CB-CB 3.85Å; C1236-C1245 WeakPolarHBondContact CB-SG 3.47Å; C1236-C1245 VanDerWaalsContact SG-CA 3.52Å; C1236-C1245 WeakPolarHBondContact SG-CB 3.27Å; C1236-C1245 CovalentContact SG-SG 2.02Å; C1236-C1245 PolarHBondContact SG-SG 3.03Å; C1236-H1259 HydrophobicContact CB-CB 4.07Å
1237L77.6Confident78.9Confident116 Ų11666.7 Ų66.761%0.60734%0.336SS*.PPolyproline II helixtrans-65.4145.7169.4-62.5176.2000110.2F1228 G1239 F1240F1228-L1237 HydrophobicContact CE1-CD2 4.28Å; F1228-L1237 HydrophobicContact CE1-CG 4.08Å; F1228-L1237 HydrophobicContact CZ-CD1 4.44Å; F1228-L1237 HydrophobicContact CZ-CD2 4.23Å; F1228-L1237 HydrophobicContact CZ-CG 4.09Å; L1237-G1239 PolarHBondContact O-N 2.91Å; L1237-F1240 PolarHBondContact O-N 3.17Å
1238L75.2Confident78.7Confident150 Ų15072.8 Ų72.879%0.78536%0.359SS*.THydrogen-bonded Turntrans-49.1128.7178.9-70.6164.8000111.2P1256L1238-P1256 HydrophobicContact CD2-CB 3.92Å; L1238-P1256 HydrophobicContact CD2-CG 3.93Å
1239G73.8Confident78.1Confident27 Ų2770.9 Ų70.928%0.27835%0.354SS..THydrogen-bonded Turntrans93.62.3-175.800000115.5L1237 R1248 C1249L1237-G1239 PolarHBondContact O-N 2.91Å; G1239-R1248 WeakPolarHBondContact O-CA 3.44Å; G1239-C1249 VanDerWaalsContact CA-SG 3.53Å; G1239-C1249 PolarHBondContact O-N 2.88Å
1240F81.2Confident78Confident72 Ų7273 Ų7332%0.31637%0.365SS..EExtended strand (participates in β ladder)trans-131.4149.5178.1-63.9-97.7000113.2C1236 L1237 C1245 Q1247 R1248C1236-F1240 VanDerWaalsContact CB-O 3.23Å; C1236-F1240 WeakPolarHBondContact CB-O 3.43Å; L1237-F1240 PolarHBondContact O-N 3.17Å; F1240-C1245 HydrophobicContact CB-CB 4.14Å; F1240-C1245 WeakPolarHBondContact CD1-O 3.37Å; F1240-Q1247 CarbonylContact C-O 3.53Å; F1240-Q1247 VanDerWaalsContact CA-O 3.26Å; F1240-Q1247 WeakPolarHBondContact CA-O 3.43Å; F1240-R1248 HydrophobicContact CD1-CG 3.79Å; F1240-R1248 HydrophobicContact CE1-CG 3.52Å; F1240-R1248 HydrophobicContact CG-CG 4.48Å; F1240-R1248 HydrophobicContact CZ-CG 4Å
1241Y84.5Confident77.8Confident43 Ų4364.9 Ų64.917%0.16933%0.328CS..EExtended strand (participates in β ladder)trans-148.3178.5-179.177.3-92.1000113.3C1245 K1246 Q1247 R1248 C1257 H1259 G1262Y1241-C1245 CarbonylContact O-C 3.28Å; Y1241-C1245 WeakPolarHBondContact O-CA 3.47Å; Y1241-K1246 PolarHBondContact O-N 3.1Å; Y1241-Q1247 HydrophobicContact CD1-CB 3.89Å; Y1241-Q1247 HydrophobicContact CD2-CB 4.02Å; Y1241-Q1247 HydrophobicContact CE1-CB 3.73Å; Y1241-Q1247 HydrophobicContact CE2-CB 3.84Å; Y1241-Q1247 HydrophobicContact CE2-CG 4.32Å; Y1241-Q1247 HydrophobicContact CG-CB 4.06Å; Y1241-Q1247 VanDerWaalsContact CZ-OE1 3.25Å; Y1241-Q1247 PolarHBondContact N-O 2.02Å; Y1241-Q1247 PolarHBondContact O-N 2.89Å; Y1241-Q1247 VanDerWaalsContact O-N 3.11Å; Y1241-Q1247 PolarHBondContact OH-OE1 3.12Å; Y1241-R1248 VanDerWaalsContact CE1-O 3.24Å; Y1241-R1248 WeakPolarHBondContact CE1-O 3.36Å; Y1241-C1257 WeakPolarHBondContact CD1-SG 3.07Å; Y1241-H1259 VanDerWaalsContact CA-O 3.26Å; Y1241-H1259 WeakPolarHBondContact CA-O 3.33Å; Y1241-H1259 VanDerWaalsContact CB-O 3.28Å; Y1241-H1259 WeakPolarHBondContact CB-O 3.27Å; Y1241-G1262 VanDerWaalsContact CE2-CA 3.42Å
1242G73.7Confident77.1Confident6 Ų664 Ų646%0.06232%0.323CS..SBendtrans80.1-173.6171.300000112.6P1225 G1226 N1244 C1245 H1259P1225-G1242 WeakPolarHBondContact CA-O 3Å; G1226-G1242 PolarHBondContact N-O 2.86Å; G1226-G1242 VanDerWaalsContact N-O 3.07Å; G1242-N1244 PolarHBondContact O-N 2.84Å; G1242-C1245 PolarHBondContact O-N 2.97Å; G1242-H1259 PolarHBondContact N-O 3Å; G1242-H1259 VanDerWaalsContact N-O 3.17Å
1243T76.8Confident76.4Confident56 Ų5667.1 Ų67.134%0.34435%0.345SS..G310 helixtrans-59.1125.9-177.246.20000111.2P1225 C1245 K1246P1225-T1243 HydrophobicContact CG-CG2 4Å; T1243-C1245 PolarHBondContact O-N 2.83Å; T1243-K1246 PolarHBondContact O-N 3.1Å
1244N73.4Confident75.4Confident43 Ų4366.3 Ų66.323%0.2335%0.352CS..G310 helixtrans53.324.7-172.9-45.9-76.6000114.7E1222 C1223 G1242 K1246E1222-N1244 WeakPolarHBondContact CA-OD1 3.27Å; E1222-N1244 WeakPolarHBondContact CG-ND2 3.44Å; C1223-N1244 PolarHBondContact N-OD1 3.38Å; C1223-N1244 PolarHBondContact O-N 2.81Å; G1242-N1244 PolarHBondContact O-N 2.84Å; N1244-K1246 HydrophobicContact CB-CD 4.4Å; N1244-K1246 HydrophobicContact CB-CG 4.2Å; N1244-K1246 PolarHBondContact O-N 3.22Å; N1244-K1246 VanDerWaalsContact O-N 3.13Å
1245C81.4Confident74.7Confident17 Ų1764.2 Ų64.212%0.11535%0.348CS..G310 helixtrans56.725.6-177.3-490000114.6W1227 C1236 F1240 Y1241 G1242 T1243 Q1247W1227-C1245 PolarHBondContact O-SG 3.19Å; C1236-C1245 WeakPolarHBondContact CA-SG 3.05Å; C1236-C1245 HydrophobicContact CB-CB 3.85Å; C1236-C1245 WeakPolarHBondContact CB-SG 3.47Å; C1236-C1245 VanDerWaalsContact SG-CA 3.52Å; C1236-C1245 WeakPolarHBondContact SG-CB 3.27Å; C1236-C1245 CovalentContact SG-SG 2.02Å; C1236-C1245 PolarHBondContact SG-SG 3.03Å; F1240-C1245 HydrophobicContact CB-CB 4.14Å; F1240-C1245 WeakPolarHBondContact CD1-O 3.37Å; Y1241-C1245 CarbonylContact O-C 3.28Å; Y1241-C1245 WeakPolarHBondContact O-CA 3.47Å; G1242-C1245 PolarHBondContact O-N 2.97Å; T1243-C1245 PolarHBondContact O-N 2.83Å; C1245-Q1247 VanDerWaalsContact C-N 3.29Å; C1245-Q1247 PolarHBondContact O-N 2.71Å
1246K78.1Confident74.1Confident163 Ų16364 Ų6471%0.70935%0.347SS*.  trans-72.4-17.3-175-75.3175.8178.1175.10114.1Y1241 T1243 N1244Y1241-K1246 PolarHBondContact O-N 3.1Å; T1243-K1246 PolarHBondContact O-N 3.1Å; N1244-K1246 HydrophobicContact CB-CD 4.4Å; N1244-K1246 HydrophobicContact CB-CG 4.2Å; N1244-K1246 PolarHBondContact O-N 3.22Å; N1244-K1246 VanDerWaalsContact O-N 3.13Å
1247Q79.4Confident73.7Confident91 Ų9163.8 Ų63.843%0.42535%0.345SS..EExtended strand (participates in β ladder)trans-97.9134.2-177.7-51.7-169.426.700109.4F1240 Y1241 C1245F1240-Q1247 CarbonylContact C-O 3.53Å; F1240-Q1247 VanDerWaalsContact CA-O 3.26Å; F1240-Q1247 WeakPolarHBondContact CA-O 3.43Å; Y1241-Q1247 HydrophobicContact CD1-CB 3.89Å; Y1241-Q1247 HydrophobicContact CD2-CB 4.02Å; Y1241-Q1247 HydrophobicContact CE1-CB 3.73Å; Y1241-Q1247 HydrophobicContact CE2-CB 3.84Å; Y1241-Q1247 HydrophobicContact CE2-CG 4.32Å; Y1241-Q1247 HydrophobicContact CG-CB 4.06Å; Y1241-Q1247 VanDerWaalsContact CZ-OE1 3.25Å; Y1241-Q1247 PolarHBondContact N-O 2.02Å; Y1241-Q1247 PolarHBondContact O-N 2.89Å; Y1241-Q1247 VanDerWaalsContact O-N 3.11Å; Y1241-Q1247 PolarHBondContact OH-OE1 3.12Å; C1245-Q1247 VanDerWaalsContact C-N 3.29Å; C1245-Q1247 PolarHBondContact O-N 2.71Å
1248R80Confident73.7Confident170 Ų17062.7 Ų62.764%0.64234%0.337SS*.EExtended strand (participates in β ladder)trans-83.3142.9170.3-94.5-172.1167.8-127.8-0.1110G1239 F1240 Y1241 S1250G1239-R1248 WeakPolarHBondContact O-CA 3.44Å; F1240-R1248 HydrophobicContact CD1-CG 3.79Å; F1240-R1248 HydrophobicContact CE1-CG 3.52Å; F1240-R1248 HydrophobicContact CG-CG 4.48Å; F1240-R1248 HydrophobicContact CZ-CG 4Å; Y1241-R1248 VanDerWaalsContact CE1-O 3.24Å; Y1241-R1248 WeakPolarHBondContact CE1-O 3.36Å; R1248-S1250 PolarHBondContact O-N 2.97Å
1249C70.7Confident73.7Confident24 Ų2458.1 Ų58.116%0.16231%0.311CS..PPolyproline II helixtrans-59.1120.3167.4-56.50000109.7G1239 C1251 C1257G1239-C1249 VanDerWaalsContact CA-SG 3.53Å; G1239-C1249 PolarHBondContact O-N 2.88Å; C1249-C1251 HydrophobicContact CB-CB 4.49Å; C1249-C1251 PolarHBondContact O-N 2.85Å; C1249-C1257 VanDerWaalsContact CA-SG 3.59Å; C1249-C1257 HydrophobicContact CB-CB 3.74Å; C1249-C1257 WeakPolarHBondContact CB-SG 3Å; C1249-C1257 WeakPolarHBondContact SG-CB 3.08Å; C1249-C1257 PolarHBondContact SG-N 2.92Å; C1249-C1257 CovalentContact SG-SG 2.03Å; C1249-C1257 PolarHBondContact SG-SG 2.94Å
1250S74Confident73.8Confident67 Ų6760.9 Ų60.947%0.46932%0.317SS..  trans-89.539.6173.8-60.90000111.6R1248 P1252 Q1274R1248-S1250 PolarHBondContact O-N 2.97Å; S1250-P1252 WeakPolarHBondContact O-CD 3.5Å; S1250-Q1274 VanDerWaalsContact CB-OE1 3.23Å
1251C71.7Confident73.6Confident10 Ų1061.7 Ų61.77%0.06833%0.328CS..  trans-87.9141.8-161.6-630000115.8C1249 S1253 G1254 Q1255 C1257 C1264C1249-C1251 HydrophobicContact CB-CB 4.49Å; C1249-C1251 PolarHBondContact O-N 2.85Å; C1251-S1253 PolarHBondContact O-N 3.34Å; C1251-G1254 PolarHBondContact O-N 2.77Å; C1251-Q1255 HydrophobicContact CB-CB 4.47Å; C1251-C1257 VanDerWaalsContact SG-CB 3.59Å; C1251-C1264 WeakPolarHBondContact CA-SG 3.48Å; C1251-C1264 HydrophobicContact CB-CB 3.81Å; C1251-C1264 WeakPolarHBondContact CB-SG 3.37Å; C1251-C1264 VanDerWaalsContact SG-CA 3.56Å; C1251-C1264 WeakPolarHBondContact SG-CB 3.15Å; C1251-C1264 CovalentContact SG-SG 2.03Å; C1251-C1264 PolarHBondContact SG-SG 2.93Å
1252P66.7Low73Confident9 Ų959.9 Ų59.96%0.05832%0.323CS..G310 helixtrans-24.4115.8150.143.8-27.5000113.3E156 S1250 G1254 Q1255 Q1274 C1275E156-P1252 HydrophobicContact CB-CB 3.48Å; E156-P1252 VanDerWaalsContact CB-CB 3.48Å; E156-P1252 HydrophobicContact CB-CG 4.49Å; E156-P1252 VanDerWaalsContact CD-CB 3.49Å; E156-P1252 HydrophobicContact CG-CB 4.08Å; E156-P1252 WeakPolarHBondContact OE1-CG 3.42Å; E156-P1252 WeakPolarHBondContact OE2-CG 3.33Å; S1250-P1252 WeakPolarHBondContact O-CD 3.5Å; P1252-G1254 PolarHBondContact O-N 2.87Å; P1252-Q1255 WeakPolarHBondContact O-CG 3.33Å; P1252-Q1255 PolarHBondContact O-N 3.1Å; P1252-Q1274 WeakPolarHBondContact CD-O 3.28Å; P1252-Q1274 WeakPolarHBondContact CG-O 3.46Å; P1252-C1275 HydrophobicContact CG-CB 4.12Å
1253S65.4Low73.1Confident66 Ų6663.9 Ų63.946%0.46234%0.342SS..G310 helixtrans52.829.7175.3-51.40000115.5E156 T157 C1251 Q1255E156-S1253 WeakPolarHBondContact O-CA 3.17Å; E156-S1253 WeakPolarHBondContact O-CB 3.23Å; E156-S1253 PolarHBondContact O-N 2.79Å; E156-S1253 PolarHBondContact O-OG 2.88Å; T157-S1253 WeakPolarHBondContact CG2-O 3.29Å; T157-S1253 WeakPolarHBondContact OG1-CA 3.35Å; C1251-S1253 PolarHBondContact O-N 3.34Å; S1253-Q1255 PolarHBondContact O-N 3.43Å
1254G61.5Low73Confident41 Ų4161.2 Ų61.242%0.42333%0.326SS..G310 helixtrans59.518.6173.100000113.7T157 N160 C1251 P1252T157-G1254 PolarHBondContact OG1-N 3.22Å; N160-G1254 WeakPolarHBondContact ND2-CA 3.49Å; C1251-G1254 PolarHBondContact O-N 2.77Å; P1252-G1254 PolarHBondContact O-N 2.87Å
1255Q64.3Low72.9Confident93 Ų9362.5 Ų62.544%0.43534%0.338SS..PPolyproline II helixtrans-56150177.5-75.9-82.63.900110.3C1251 P1252 S1253 C1257C1251-Q1255 HydrophobicContact CB-CB 4.47Å; P1252-Q1255 WeakPolarHBondContact O-CG 3.33Å; P1252-Q1255 PolarHBondContact O-N 3.1Å; S1253-Q1255 PolarHBondContact O-N 3.43Å; Q1255-C1257 PolarHBondContact O-N 2.87Å
1256P67.3Low72.4Confident64 Ų6461.8 Ų61.842%0.41633%0.333SS..PPolyproline II helixtrans-59.6125.2169.5-18.131.7000110L1238L1238-P1256 HydrophobicContact CD2-CB 3.92Å; L1238-P1256 HydrophobicContact CD2-CG 3.93Å
1257C71.9Confident72.2Confident12 Ų1256.6 Ų56.68%0.08132%0.316CS..BIsolated β-bridgetrans-80.3156161.863.80000110.8Y1241 C1249 C1251 Q1255 H1259 G1262 L1263Y1241-C1257 WeakPolarHBondContact CD1-SG 3.07Å; C1249-C1257 VanDerWaalsContact CA-SG 3.59Å; C1249-C1257 HydrophobicContact CB-CB 3.74Å; C1249-C1257 WeakPolarHBondContact CB-SG 3Å; C1249-C1257 WeakPolarHBondContact SG-CB 3.08Å; C1249-C1257 PolarHBondContact SG-N 2.92Å; C1249-C1257 CovalentContact SG-SG 2.03Å; C1249-C1257 PolarHBondContact SG-SG 2.94Å; C1251-C1257 VanDerWaalsContact SG-CB 3.59Å; Q1255-C1257 PolarHBondContact O-N 2.87Å; C1257-H1259 PolarHBondContact O-N 3.04Å; C1257-G1262 WeakPolarHBondContact CB-O 3.2Å; C1257-L1263 WeakPolarHBondContact CA-O 3.33Å
1258H76.6Confident72.2Confident92 Ų9254 Ų5443%0.42631%0.311SS..PPolyproline II helixtrans-63.8117.7174.7-178.5-92.8000110.3E1260 T1261 G1262 L1263H1258-E1260 PolarHBondContact O-N 3.17Å; H1258-T1261 WeakPolarHBondContact CB-OG1 3.43Å; H1258-T1261 PolarHBondContact ND1-OG1 3.09Å; H1258-T1261 PolarHBondContact O-N 2.9Å; H1258-G1262 PolarHBondContact O-N 3.33Å; H1258-L1263 PolarHBondContact N-O 3.11Å
1259H74.6Confident72.1Confident54 Ų5446.3 Ų46.325%0.2528%0.284CS..THydrogen-bonded Turntrans-50.6-39.5-168.765.1116.5000114G1226 W1227 C1236 Y1241 G1242 C1257G1226-H1259 WeakPolarHBondContact CA-ND1 3.11Å; G1226-H1259 WeakPolarHBondContact CA-O 3.01Å; G1226-H1259 PolarHBondContact N-O 3.41Å; G1226-H1259 PolarHBondContact O-ND1 2.04Å; W1227-H1259 AromaticContact NE1-CE1 3.96Å; C1236-H1259 HydrophobicContact CB-CB 4.07Å; Y1241-H1259 VanDerWaalsContact CA-O 3.26Å; Y1241-H1259 WeakPolarHBondContact CA-O 3.33Å; Y1241-H1259 VanDerWaalsContact CB-O 3.28Å; Y1241-H1259 WeakPolarHBondContact CB-O 3.27Å; G1242-H1259 PolarHBondContact N-O 3Å; G1242-H1259 VanDerWaalsContact N-O 3.17Å; C1257-H1259 PolarHBondContact O-N 3.04Å
1260E76.4Confident72.5Confident85 Ų8547.9 Ų47.940%0.39729%0.288SS..THydrogen-bonded Turntrans-80.1-29-177.9-44.7-157.214800114.2P1225 W1227 H1258P1225-E1260 HydrophobicContact CB-CB 4.36Å; P1225-E1260 WeakPolarHBondContact CB-O 3.29Å; P1225-E1260 WeakPolarHBondContact O-CA 3.03Å; P1225-E1260 WeakPolarHBondContact O-CB 3.45Å; P1225-E1260 VanDerWaalsContact O-CG 3.26Å; P1225-E1260 WeakPolarHBondContact O-CG 3.25Å; W1227-E1260 PolarHBondContact NE1-OE1 3.44Å; H1258-E1260 PolarHBondContact O-N 3.17Å
1261T76.4Confident72.9Confident90 Ų9049.1 Ų49.155%0.55228%0.283SS*.THydrogen-bonded Turntrans-114.8-17.9-167.754.70000114.1H1258 L1263H1258-T1261 WeakPolarHBondContact CB-OG1 3.43Å; H1258-T1261 PolarHBondContact ND1-OG1 3.09Å; H1258-T1261 PolarHBondContact O-N 2.9Å; T1261-L1263 PolarHBondContact O-N 3.23Å
1262G73Confident72.8Confident5 Ų549.2 Ų49.25%0.05229%0.286CS..  trans73.3-4.3-173.200000115.1Y1241 C1257 H1258 C1264Y1241-G1262 VanDerWaalsContact CE2-CA 3.42Å; C1257-G1262 WeakPolarHBondContact CB-O 3.2Å; H1258-G1262 PolarHBondContact O-N 3.33Å; G1262-C1264 PolarHBondContact O-N 2.88Å
1263L74.6Confident72.9Confident89 Ų8952.5 Ų52.547%0.46631%0.307SS..  trans-61.8119.7177.1-157.880.1000108.7C1257 H1258 T1261 P1273C1257-L1263 WeakPolarHBondContact CA-O 3.33Å; H1258-L1263 PolarHBondContact N-O 3.11Å; T1261-L1263 PolarHBondContact O-N 3.23Å; L1263-P1273 HydrophobicContact CD1-CB 4.49Å
1264C74.7Confident73.3Confident1 Ų153.8 Ų53.81%0.00731%0.306CS..BIsolated β-bridgetrans-68.2136.7168.4-56.80000109.1C1251 G1262 C1266 C1275C1251-C1264 WeakPolarHBondContact CA-SG 3.48Å; C1251-C1264 HydrophobicContact CB-CB 3.81Å; C1251-C1264 WeakPolarHBondContact CB-SG 3.37Å; C1251-C1264 VanDerWaalsContact SG-CA 3.56Å; C1251-C1264 WeakPolarHBondContact SG-CB 3.15Å; C1251-C1264 CovalentContact SG-SG 2.03Å; C1251-C1264 PolarHBondContact SG-SG 2.93Å; G1262-C1264 PolarHBondContact O-N 2.88Å; C1264-C1266 PolarHBondContact O-N 2.86Å; C1264-C1275 WeakPolarHBondContact CB-SG 3.39Å
1265S71.7Confident74Confident70 Ų7051.9 Ų51.949%0.4929%0.286SS..  trans-73.9113161.8-760000108.1
1266C71.8Confident74.7Confident2 Ų252 Ų521%0.01429%0.287CS..PPolyproline II helixtrans-87.1130.6-170.4-64.40000111.8C1264 K1270 C1275 E1286 D1287C1264-C1266 PolarHBondContact O-N 2.86Å; C1266-K1270 HydrophobicContact CB-CB 4.2Å; C1266-K1270 WeakPolarHBondContact CB-O 3.22Å; C1266-C1275 WeakPolarHBondContact CA-SG 3.26Å; C1266-C1275 HydrophobicContact CB-CB 3.86Å; C1266-C1275 WeakPolarHBondContact CB-SG 3.24Å; C1266-C1275 WeakPolarHBondContact SG-CA 3.47Å; C1266-C1275 WeakPolarHBondContact SG-CB 3.11Å; C1266-C1275 CovalentContact SG-SG 2.04Å; C1266-C1275 PolarHBondContact SG-SG 3.42Å; C1266-E1286 WeakPolarHBondContact O-CA 3.45Å; C1266-D1287 WeakPolarHBondContact CB-OD1 3.05Å; C1266-D1287 PolarHBondContact N-OD1 2.82Å; C1266-D1287 PolarHBondContact O-N 2.6Å; C1266-D1287 VanDerWaalsContact O-N 3.07Å
1267P74.4Confident75.2Confident53 Ų5352.5 Ų52.534%0.34429%0.286SS..PPolyproline II helixtrans-62.5151.7177.228.6-35.4000110.3G1269 K1270P1267-G1269 PolarHBondContact O-N 2.83Å; P1267-K1270 PolarHBondContact O-N 3.36Å
1268A78.1Confident75.5Confident38 Ų3857 Ų5731%0.31431%0.314SS..THydrogen-bonded Turntrans-49.7123.2-17500000112.3G1285 E1286 I1306A1268-G1285 WeakPolarHBondContact CA-O 3.05Å; A1268-E1286 HydrophobicContact CB-CG 4.47Å; A1268-I1306 HydrophobicContact CB-CG2 4.04Å
1269G78.8Confident75.7Confident8 Ų853.3 Ų53.38%0.08230%0.297CS..THydrogen-bonded Turntrans110.3-14.1-173.900000115.7P1267 T1278 C1279 P1305P1267-G1269 PolarHBondContact O-N 2.83Å; G1269-T1278 WeakPolarHBondContact O-CA 3.32Å; G1269-C1279 PolarHBondContact O-N 3.27Å; G1269-P1305 VanDerWaalsContact CA-O 3.25Å; G1269-P1305 WeakPolarHBondContact CA-O 3.22Å; G1269-P1305 PolarHBondContact N-O 3.49Å
1270K78.4Confident75.9Confident56 Ų5653.1 Ų53.124%0.24330%0.301CS..EExtended strand (participates in β ladder)trans-123.4153.4179.6-65.8-147.4-175.2-179.80113.9E156 C1266 P1267 C1275 D1277 C1288E156-K1270 IonicContact OE1-NZ 2.72Å; E156-K1270 PolarHBondContact OE1-NZ 2.89Å; C1266-K1270 HydrophobicContact CB-CB 4.2Å; C1266-K1270 WeakPolarHBondContact CB-O 3.22Å; P1267-K1270 PolarHBondContact O-N 3.36Å; K1270-C1275 HydrophobicContact CB-CB 4.14Å; K1270-C1275 HydrophobicContact CD-CB 4.04Å; K1270-C1275 WeakPolarHBondContact CD-O 3.24Å; K1270-C1275 WeakPolarHBondContact CE-O 3.3Å; K1270-C1275 PolarHBondContact NZ-O 2.03Å; K1270-D1277 CarbonylContact C-O 3.51Å; K1270-D1277 VanDerWaalsContact CA-O 3.25Å; K1270-D1277 WeakPolarHBondContact CA-O 3.5Å; K1270-C1288 PolarHBondContact O-SG 2.82Å
1271Y81.8Confident75.7Confident93 Ų9354.8 Ų54.837%0.36531%0.309SS..EExtended strand (participates in β ladder)trans-145.3-168.9163.982.6-52.2000110C1275 E1276 D1277 T1278 P1280Y1271-C1275 CarbonylContact O-C 3.41Å; Y1271-C1275 VanDerWaalsContact O-CA 3.3Å; Y1271-C1275 WeakPolarHBondContact O-CA 3.37Å; Y1271-E1276 PolarHBondContact O-N 3.42Å; Y1271-D1277 HydrophobicContact CD1-CB 3.62Å; Y1271-D1277 HydrophobicContact CE1-CB 3.3Å; Y1271-D1277 PolarHBondContact N-O 2.83Å; Y1271-D1277 PolarHBondContact O-N 3.28Å; Y1271-D1277 VanDerWaalsContact O-N 3.09Å; Y1271-T1278 WeakPolarHBondContact CD1-O 3.29Å; Y1271-T1278 WeakPolarHBondContact CE1-O 3.37Å; Y1271-P1280 HydrophobicContact CE1-CG 4.38Å
1272G69.5Low76Confident13 Ų1351 Ų5113%0.13429%0.287CS..SBendtrans96.3157-172.200000111.3Q1274 C1275 E1276G1272-Q1274 PolarHBondContact O-N 3.43Å; G1272-C1275 PolarHBondContact O-N 3.29Å; G1272-E1276 VanDerWaalsContact CA-OE2 3.23Å; G1272-E1276 WeakPolarHBondContact CA-OE2 3.28Å
1273P69.9Low76.6Confident77 Ų7755.3 Ų55.350%0.530%0.302SS..THydrogen-bonded Turntrans-63.4-23.1-171.926.6-35.2000114.4L1263 E1276L1263-P1273 HydrophobicContact CD1-CB 4.49Å; P1273-E1276 VanDerWaalsContact CD-OE2 3.26Å; P1273-E1276 WeakPolarHBondContact CD-OE2 3.41Å; P1273-E1276 VanDerWaalsContact N-OE2 3.09Å
1274Q73.7Confident77.3Confident93 Ų9354.6 Ų54.644%0.43529%0.293SS..THydrogen-bonded Turntrans-118.822.6174.1-52.5-17426.500111.5S1250 P1252 G1272 E1276S1250-Q1274 VanDerWaalsContact CB-OE1 3.23Å; P1252-Q1274 WeakPolarHBondContact CD-O 3.28Å; P1252-Q1274 WeakPolarHBondContact CG-O 3.46Å; G1272-Q1274 PolarHBondContact O-N 3.43Å; Q1274-E1276 VanDerWaalsContact C-OE2 3.32Å; Q1274-E1276 WeakPolarHBondContact CA-OE2 3.23Å; Q1274-E1276 PolarHBondContact N-OE1 3.43Å; Q1274-E1276 PolarHBondContact N-OE2 3.25Å; Q1274-E1276 PolarHBondContact O-N 2.97Å
1275C76Confident77.5Confident2 Ų254.7 Ų54.71%0.01430%0.295CS..SBendtrans46.844.2-171.7-450000112.2P1252 C1264 C1266 K1270 Y1271 G1272P1252-C1275 HydrophobicContact CG-CB 4.12Å; C1264-C1275 WeakPolarHBondContact CB-SG 3.39Å; C1266-C1275 WeakPolarHBondContact CA-SG 3.26Å; C1266-C1275 HydrophobicContact CB-CB 3.86Å; C1266-C1275 WeakPolarHBondContact CB-SG 3.24Å; C1266-C1275 WeakPolarHBondContact SG-CA 3.47Å; C1266-C1275 WeakPolarHBondContact SG-CB 3.11Å; C1266-C1275 CovalentContact SG-SG 2.04Å; C1266-C1275 PolarHBondContact SG-SG 3.42Å; K1270-C1275 HydrophobicContact CB-CB 4.14Å; K1270-C1275 HydrophobicContact CD-CB 4.04Å; K1270-C1275 WeakPolarHBondContact CD-O 3.24Å; K1270-C1275 WeakPolarHBondContact CE-O 3.3Å; K1270-C1275 PolarHBondContact NZ-O 2.03Å; Y1271-C1275 CarbonylContact O-C 3.41Å; Y1271-C1275 VanDerWaalsContact O-CA 3.3Å; Y1271-C1275 WeakPolarHBondContact O-CA 3.37Å; G1272-C1275 PolarHBondContact O-N 3.29Å
1276E80.2Confident77.8Confident95 Ų9557.2 Ų57.244%0.44430%0.299SS..  trans-84-31.8179.158.3-85.5-104.200111.8Y1271 G1272 P1273 Q1274Y1271-E1276 PolarHBondContact O-N 3.42Å; G1272-E1276 VanDerWaalsContact CA-OE2 3.23Å; G1272-E1276 WeakPolarHBondContact CA-OE2 3.28Å; P1273-E1276 VanDerWaalsContact CD-OE2 3.26Å; P1273-E1276 WeakPolarHBondContact CD-OE2 3.41Å; P1273-E1276 VanDerWaalsContact N-OE2 3.09Å; Q1274-E1276 VanDerWaalsContact C-OE2 3.32Å; Q1274-E1276 WeakPolarHBondContact CA-OE2 3.23Å; Q1274-E1276 PolarHBondContact N-OE1 3.43Å; Q1274-E1276 PolarHBondContact N-OE2 3.25Å; Q1274-E1276 PolarHBondContact O-N 2.97Å
1277D76.4Confident77.9Confident75 Ų7560.1 Ų60.140%0.40131%0.314SS..EExtended strand (participates in β ladder)trans-93.9145-176.5-66.9-49.4000112.4K1270 Y1271K1270-D1277 CarbonylContact C-O 3.51Å; K1270-D1277 VanDerWaalsContact CA-O 3.25Å; K1270-D1277 WeakPolarHBondContact CA-O 3.5Å; Y1271-D1277 HydrophobicContact CD1-CB 3.62Å; Y1271-D1277 HydrophobicContact CE1-CB 3.3Å; Y1271-D1277 PolarHBondContact N-O 2.83Å; Y1271-D1277 PolarHBondContact O-N 3.28Å; Y1271-D1277 VanDerWaalsContact O-N 3.09Å
1278T78.4Confident78.1Confident107 Ų10757.8 Ų57.866%0.65630%0.299SS*.EExtended strand (participates in β ladder)trans-77.8151.2165.647.60000110.8G1269 Y1271G1269-T1278 WeakPolarHBondContact O-CA 3.32Å; Y1271-T1278 WeakPolarHBondContact CD1-O 3.29Å; Y1271-T1278 WeakPolarHBondContact CE1-O 3.37Å
1279C80.6Confident78.3Confident13 Ų1361.3 Ų61.39%0.08831%0.309CS..PPolyproline II helixtrans-49.8133.2-179.7-65.20000112.3G1269 R1283 C1288 P1305G1269-C1279 PolarHBondContact O-N 3.27Å; C1279-R1283 HydrophobicContact CB-CB 4.39Å; C1279-R1283 WeakPolarHBondContact CB-O 3.24Å; C1279-C1288 WeakPolarHBondContact CA-SG 3.22Å; C1279-C1288 HydrophobicContact CB-CB 3.77Å; C1279-C1288 WeakPolarHBondContact CB-SG 3.35Å; C1279-C1288 WeakPolarHBondContact SG-CB 3.47Å; C1279-C1288 CovalentContact SG-SG 2.02Å; C1279-C1288 PolarHBondContact SG-SG 2.04Å; C1279-P1305 HydrophobicContact CB-CB 3.68Å
1280P78.6Confident78.5Confident51 Ų5164.9 Ų64.933%0.33132%0.323SS..PPolyproline II helixtrans-67.4151.3-179.331.1-35.8000110.1Y1271 G1282 R1283Y1271-P1280 HydrophobicContact CE1-CG 4.38Å; P1280-G1282 PolarHBondContact O-N 2.83Å; P1280-G1282 VanDerWaalsContact O-N 3.11Å; P1280-R1283 HydrophobicContact CG-CB 4.41Å; P1280-R1283 HydrophobicContact CG-CG 4.48Å; P1280-R1283 PolarHBondContact O-N 3.18Å
1281E73.4Confident78.6Confident120 Ų12067.5 Ų67.556%0.56134%0.339SS*.THydrogen-bonded Turntrans-53.7118.1-167.8-156.3-176.6-11300111.9L1302 R1313E1281-L1302 HydrophobicContact CG-CD2 3.88Å; E1281-L1302 VanDerWaalsContact OE1-CD2 3.24Å; E1281-L1302 WeakPolarHBondContact OE1-CD2 3.3Å; E1281-R1313 VanDerWaalsContact CD-NH2 3.26Å; E1281-R1313 IonicContact OE1-CZ 3.45Å; E1281-R1313 IonicContact OE1-NH1 3.55Å; E1281-R1313 PolarHBondContact OE1-NH1 2.91Å; E1281-R1313 IonicContact OE1-NH2 3.32Å; E1281-R1313 PolarHBondContact OE1-NH2 3.43Å; E1281-R1313 IonicContact OE2-CZ 3.59Å; E1281-R1313 IonicContact OE2-NH1 2.72Å; E1281-R1313 IonicContact OE2-NH2 2.71Å; E1281-R1313 PolarHBondContact OE2-NH2 3.27Å
1282G81.2Confident78.4Confident9 Ų963.4 Ų63.49%0.09332%0.324CS..THydrogen-bonded Turntrans100.52.9-17600000116.1P1280 C1292P1280-G1282 PolarHBondContact O-N 2.83Å; P1280-G1282 VanDerWaalsContact O-N 3.11Å; G1282-C1292 WeakPolarHBondContact O-CB 3.32Å; G1282-C1292 PolarHBondContact O-N 3.32Å
1283R86Confident79Confident97 Ų9767.6 Ų67.637%0.36634%0.343SS..EExtended strand (participates in β ladder)trans-116.5155.4172.3-72.9-176.7166.3-85.8-1113.6C1279 P1280 C1288 H1290 I1291C1279-R1283 HydrophobicContact CB-CB 4.39Å; C1279-R1283 WeakPolarHBondContact CB-O 3.24Å; P1280-R1283 HydrophobicContact CG-CB 4.41Å; P1280-R1283 HydrophobicContact CG-CG 4.48Å; P1280-R1283 PolarHBondContact O-N 3.18Å; R1283-C1288 HydrophobicContact CB-CB 4Å; R1283-C1288 WeakPolarHBondContact CD-O 3.03Å; R1283-C1288 PolarHBondContact NH1-O 3.49Å; R1283-H1290 CarbonylContact C-O 3.58Å; R1283-H1290 VanDerWaalsContact CA-O 3.28Å; R1283-H1290 WeakPolarHBondContact CA-O 3.36Å; R1283-I1291 HydrophobicContact CG-CG1 4.33Å
1284W89Confident79.4Confident73 Ų7364 Ų6428%0.27732%0.319SS..EExtended strand (participates in β ladder)trans-154.8174.2179.570.1-79.2000113.8C1288 Q1289 H1290 I1291 C1292 D1304 P1305W1284-C1288 CarbonylContact O-C 3.57Å; W1284-C1288 VanDerWaalsContact O-C 3.29Å; W1284-C1288 WeakPolarHBondContact O-CA 3.27Å; W1284-Q1289 PolarHBondContact O-N 2.04Å; W1284-H1290 HydrophobicContact CD2-CB 3.83Å; W1284-H1290 VanDerWaalsContact CE2-CB 3.45Å; W1284-H1290 HydrophobicContact CG-CB 4.01Å; W1284-H1290 AromaticContact CH2-CD2 3.83Å; W1284-H1290 HydrophobicContact CZ2-CB 3.96Å; W1284-H1290 AromaticContact CZ2-CD2 3.89Å; W1284-H1290 AromaticContact CZ3-CD2 3.91Å; W1284-H1290 PolarHBondContact N-O 3.06Å; W1284-H1290 WeakPolarHBondContact O-CB 3.47Å; W1284-H1290 PolarHBondContact O-N 3.36Å; W1284-I1291 PolarHBondContact NE1-O 3.42Å; W1284-C1292 VanDerWaalsContact CD1-SG 3.51Å; W1284-D1304 WeakPolarHBondContact CB-O 3.46Å; W1284-P1305 WeakPolarHBondContact CA-O 3.49Å; W1284-P1305 WeakPolarHBondContact CB-O 3.06Å
1285G79.3Confident79.3Confident4 Ų462.9 Ų62.94%0.04131%0.314CS..SBendtrans84.5-179.4178.900000113.2A1268 C1288 P1305A1268-G1285 WeakPolarHBondContact CA-O 3.05Å; G1285-C1288 WeakPolarHBondContact O-CA 3.22Å; G1285-C1288 PolarHBondContact O-N 3.4Å; G1285-P1305 PolarHBondContact N-O 3.36Å
1286E78.1Confident79.1Confident122 Ų12269.9 Ų69.957%0.5735%0.351SS*.G310 helixtrans-58.9139.5175.2-68.5-173.9141.200110.7C1266 A1268 C1288 Q1289C1266-E1286 WeakPolarHBondContact O-CA 3.45Å; A1268-E1286 HydrophobicContact CB-CG 4.47Å; E1286-C1288 PolarHBondContact O-N 2.84Å; E1286-Q1289 WeakPolarHBondContact O-CB 3.37Å; E1286-Q1289 VanDerWaalsContact O-CG 3.25Å; E1286-Q1289 WeakPolarHBondContact O-CG 3.34Å; E1286-Q1289 PolarHBondContact O-N 3.28Å; E1286-Q1289 VanDerWaalsContact O-N 3.09Å; E1286-Q1289 PolarHBondContact O-NE2 3.3Å
1287D73.4Confident78.6Confident64 Ų6471.5 Ų71.534%0.34236%0.356SS..G310 helixtrans49.320.6-171.1-64.7-40.7000114.4C1266 Q1289C1266-D1287 WeakPolarHBondContact CB-OD1 3.05Å; C1266-D1287 PolarHBondContact N-OD1 2.82Å; C1266-D1287 PolarHBondContact O-N 2.6Å; C1266-D1287 VanDerWaalsContact O-N 3.07Å; D1287-Q1289 PolarHBondContact O-N 3.05Å; D1287-Q1289 VanDerWaalsContact O-N 3.13Å
1288C80.1Confident78.4Confident3 Ų369.7 Ų69.72%0.0235%0.347CS..G310 helixtrans5133-174-51.80000113.2K1270 C1279 R1283 W1284 G1285 E1286 H1290K1270-C1288 PolarHBondContact O-SG 2.82Å; C1279-C1288 WeakPolarHBondContact CA-SG 3.22Å; C1279-C1288 HydrophobicContact CB-CB 3.77Å; C1279-C1288 WeakPolarHBondContact CB-SG 3.35Å; C1279-C1288 WeakPolarHBondContact SG-CB 3.47Å; C1279-C1288 CovalentContact SG-SG 2.02Å; C1279-C1288 PolarHBondContact SG-SG 2.04Å; R1283-C1288 HydrophobicContact CB-CB 4Å; R1283-C1288 WeakPolarHBondContact CD-O 3.03Å; R1283-C1288 PolarHBondContact NH1-O 3.49Å; W1284-C1288 CarbonylContact O-C 3.57Å; W1284-C1288 VanDerWaalsContact O-C 3.29Å; W1284-C1288 WeakPolarHBondContact O-CA 3.27Å; G1285-C1288 WeakPolarHBondContact O-CA 3.22Å; G1285-C1288 PolarHBondContact O-N 3.4Å; E1286-C1288 PolarHBondContact O-N 2.84Å; C1288-H1290 VanDerWaalsContact C-N 3.31Å; C1288-H1290 PolarHBondContact O-N 2.96Å
1289Q81.4Confident78.2Confident112 Ų11269.9 Ų69.952%0.52334%0.344SS..  trans-68.2-27.4-170.671.7-171-92.800113.4W1284 E1286 D1287W1284-Q1289 PolarHBondContact O-N 2.04Å; E1286-Q1289 WeakPolarHBondContact O-CB 3.37Å; E1286-Q1289 VanDerWaalsContact O-CG 3.25Å; E1286-Q1289 WeakPolarHBondContact O-CG 3.34Å; E1286-Q1289 PolarHBondContact O-N 3.28Å; E1286-Q1289 VanDerWaalsContact O-N 3.09Å; E1286-Q1289 PolarHBondContact O-NE2 3.3Å; D1287-Q1289 PolarHBondContact O-N 3.05Å; D1287-Q1289 VanDerWaalsContact O-N 3.13Å
1290H83Confident77.8Confident83 Ų8370.8 Ų70.838%0.38435%0.348SS..EExtended strand (participates in β ladder)trans-89.9150.9179.3-55.2-39.3000111.8R1283 W1284 C1288R1283-H1290 CarbonylContact C-O 3.58Å; R1283-H1290 VanDerWaalsContact CA-O 3.28Å; R1283-H1290 WeakPolarHBondContact CA-O 3.36Å; W1284-H1290 HydrophobicContact CD2-CB 3.83Å; W1284-H1290 VanDerWaalsContact CE2-CB 3.45Å; W1284-H1290 HydrophobicContact CG-CB 4.01Å; W1284-H1290 AromaticContact CH2-CD2 3.83Å; W1284-H1290 HydrophobicContact CZ2-CB 3.96Å; W1284-H1290 AromaticContact CZ2-CD2 3.89Å; W1284-H1290 AromaticContact CZ3-CD2 3.91Å; W1284-H1290 PolarHBondContact N-O 3.06Å; W1284-H1290 WeakPolarHBondContact O-CB 3.47Å; W1284-H1290 PolarHBondContact O-N 3.36Å; C1288-H1290 VanDerWaalsContact C-N 3.31Å; C1288-H1290 PolarHBondContact O-N 2.96Å
1291I81.7Confident77.9Confident111 Ų11168.8 Ų68.857%0.56933%0.334SS*.EExtended strand (participates in β ladder)trans-110.3146176.9-59.9175.4000108.5R1283 W1284R1283-I1291 HydrophobicContact CG-CG1 4.33Å; W1284-I1291 PolarHBondContact NE1-O 3.42Å
1292C77.6Confident78Confident8 Ų864.2 Ų64.25%0.05431%0.313CS..  trans-98.6123.1178.8-98.40000112.2G1282 W1284 C1294 C1303 G1308G1282-C1292 WeakPolarHBondContact O-CB 3.32Å; G1282-C1292 PolarHBondContact O-N 3.32Å; W1284-C1292 VanDerWaalsContact CD1-SG 3.51Å; C1292-C1294 HydrophobicContact CB-CB 4.39Å; C1292-C1294 PolarHBondContact O-N 3.11Å; C1292-C1294 VanDerWaalsContact SG-SG 3.67Å; C1292-C1303 HydrophobicContact CB-CB 3.43Å; C1292-C1303 VanDerWaalsContact CB-CB 3.43Å; C1292-C1303 WeakPolarHBondContact CB-SG 3.5Å; C1292-C1303 WeakPolarHBondContact SG-CB 3.01Å; C1292-C1303 CovalentContact SG-SG 2.03Å; C1292-C1303 PolarHBondContact SG-SG 3.49Å; C1292-G1308 PolarHBondContact SG-O 2.04Å; C1292-G1308 VanDerWaalsContact SG-O 3.38Å
1293D80.9Confident78Confident101 Ų10164.2 Ų64.254%0.5431%0.312SS..THydrogen-bonded Turntrans-7222.1170.8-63.8-32.8000113.7L1296 K1297D1293-L1296 HydrophobicContact CB-CB 4.41Å; D1293-L1296 HydrophobicContact CB-CD1 4.17Å; D1293-L1296 WeakPolarHBondContact O-CB 3.37Å; D1293-L1296 PolarHBondContact O-N 3.39Å; D1293-K1297 PolarHBondContact O-N 2.77Å
1294C78.7Confident77.7Confident0 Ų061.3 Ų61.30%030%0.303CS..Hα-helixtrans-64.7-43.8-176-58.40000111.7C1292 L1296 K1297 N1298 M1301 C1310C1292-C1294 HydrophobicContact CB-CB 4.39Å; C1292-C1294 PolarHBondContact O-N 3.11Å; C1292-C1294 VanDerWaalsContact SG-SG 3.67Å; C1294-L1296 VanDerWaalsContact C-N 3.25Å; C1294-L1296 PolarHBondContact O-N 2.89Å; C1294-K1297 WeakPolarHBondContact O-CB 3.37Å; C1294-K1297 PolarHBondContact O-N 2.93Å; C1294-N1298 CarbonylContact O-C 3.03Å; C1294-N1298 PolarHBondContact O-N 3.05Å; C1294-M1301 HydrophobicContact CB-CB 3.79Å; C1294-C1310 WeakPolarHBondContact CA-SG 3.34Å; C1294-C1310 HydrophobicContact CB-CB 3.9Å; C1294-C1310 WeakPolarHBondContact CB-SG 3.23Å; C1294-C1310 WeakPolarHBondContact SG-CA 3.42Å; C1294-C1310 WeakPolarHBondContact SG-CB 3Å; C1294-C1310 CovalentContact SG-SG 2.04Å; C1294-C1310 PolarHBondContact SG-SG 3.49Å
1295H70.4Confident77.1Confident71 Ų7159.6 Ų59.633%0.32930%0.302SS..Hα-helixtrans-62.8-29.9175.1-60.9-87.3000113K1297H1295-K1297 VanDerWaalsContact C-N 3.27Å; H1295-K1297 PolarHBondContact O-N 3.29Å
1296L72Confident77Confident148 Ų14863.3 Ų63.378%0.77532%0.32SS*.Hα-helixtrans-72.4-19.4174.9-62.7178000112.8D1293 C1294D1293-L1296 HydrophobicContact CB-CB 4.41Å; D1293-L1296 HydrophobicContact CB-CD1 4.17Å; D1293-L1296 WeakPolarHBondContact O-CB 3.37Å; D1293-L1296 PolarHBondContact O-N 3.39Å; C1294-L1296 VanDerWaalsContact C-N 3.25Å; C1294-L1296 PolarHBondContact O-N 2.89Å
1297K70Confident77.2Confident130 Ų13063 Ų6357%0.56532%0.318SS*.Hα-helixtrans-89.7-50.4172.8-65.9170.7-175.4169.60111.2D1293 C1294 H1295 M1301D1293-K1297 PolarHBondContact O-N 2.77Å; C1294-K1297 WeakPolarHBondContact O-CB 3.37Å; C1294-K1297 PolarHBondContact O-N 2.93Å; H1295-K1297 VanDerWaalsContact C-N 3.27Å; H1295-K1297 PolarHBondContact O-N 3.29Å; K1297-M1301 HydrophobicContact CB-SD 3.62Å; K1297-M1301 HydrophobicContact CD-SD 4.24Å
1298N73.7Confident77.4Confident37 Ų3760.8 Ų60.820%0.19831%0.311CS..  trans-165.8137.8170.8-172.8-18.5000110.2C1294 N1300 M1301 N1320 C1321C1294-N1298 CarbonylContact O-C 3.03Å; C1294-N1298 PolarHBondContact O-N 3.05Å; N1298-N1300 PolarHBondContact O-N 3.14Å; N1298-N1300 PolarHBondContact OD1-N 2.03Å; N1298-M1301 HydrophobicContact CB-CG 4.27Å; N1298-M1301 WeakPolarHBondContact O-CB 3.47Å; N1298-M1301 PolarHBondContact O-N 3.21Å; N1298-N1320 WeakPolarHBondContact CB-O 3.21Å; N1298-N1320 PolarHBondContact ND2-O 2.85Å; N1298-C1321 PolarHBondContact ND2-O 2.74Å
1299N72.3Confident77.5Confident111 Ų11164.8 Ų64.859%0.59434%0.335SS*.THydrogen-bonded Turntrans-56.7-20172.7-73.2-25.6000114.6M1301 R1313N1299-M1301 VanDerWaalsContact C-N 3.26Å; N1299-M1301 PolarHBondContact O-N 3.36Å; N1299-R1313 PolarHBondContact O-NE 3.12Å; N1299-R1313 VanDerWaalsContact O-NE 3.15Å
1300N74Confident77.5Confident31 Ų3160.8 Ų60.817%0.16632%0.319CS..THydrogen-bonded Turntrans-79.4-1.9173.8-59.9-25000113.9N1298 R1313 W1316 C1321N1298-N1300 PolarHBondContact O-N 3.14Å; N1298-N1300 PolarHBondContact OD1-N 2.03Å; N1300-R1313 WeakPolarHBondContact O-CG 3.37Å; N1300-R1313 PolarHBondContact O-N 3.27Å; N1300-W1316 HydrophobicContact CB-CD2 4.06Å; N1300-W1316 HydrophobicContact CB-CG 4.09Å; N1300-W1316 VanDerWaalsContact ND2-CD2 3.3Å; N1300-W1316 WeakPolarHBondContact ND2-CH2 3.39Å; N1300-W1316 WeakPolarHBondContact ND2-CZ2 3.04Å; N1300-W1316 WeakPolarHBondContact ND2-CZ3 3.1Å; N1300-C1321 HydrophobicContact CB-CB 3.77Å; N1300-C1321 PolarHBondContact ND2-O 2.01Å
1301M80.1Confident77.3Confident9 Ų960.9 Ų60.94%0.04432%0.316CS..EExtended strand (participates in β ladder)trans-93.8125.4174.8-68.7-17911700111.2C1294 K1297 N1298 N1299 C1310 Y1311 P1319 C1321C1294-M1301 HydrophobicContact CB-CB 3.79Å; K1297-M1301 HydrophobicContact CB-SD 3.62Å; K1297-M1301 HydrophobicContact CD-SD 4.24Å; N1298-M1301 HydrophobicContact CB-CG 4.27Å; N1298-M1301 WeakPolarHBondContact O-CB 3.47Å; N1298-M1301 PolarHBondContact O-N 3.21Å; N1299-M1301 VanDerWaalsContact C-N 3.26Å; N1299-M1301 PolarHBondContact O-N 3.36Å; M1301-C1310 HydrophobicContact CB-CB 4.25Å; M1301-C1310 HydrophobicContact CE-CB 3.75Å; M1301-C1310 HydrophobicContact SD-CB 4.04Å; M1301-Y1311 CarbonylContact C-O 3.58Å; M1301-Y1311 VanDerWaalsContact CA-O 3.3Å; M1301-Y1311 WeakPolarHBondContact CA-O 3.48Å; M1301-P1319 VanDerWaalsContact CE-O 3.25Å; M1301-P1319 WeakPolarHBondContact CE-O 3.15Å; M1301-C1321 HydrophobicContact CG-CB 4.13Å; M1301-C1321 WeakPolarHBondContact CG-SG 3.06Å
1302L75.1Confident77.1Confident24 Ų2456 Ų5613%0.12629%0.292CS..EExtended strand (participates in β ladder)trans-86.2152.5165.9-76.5164.8000110.4E1281 C1310 Y1311 R1313E1281-L1302 HydrophobicContact CG-CD2 3.88Å; E1281-L1302 VanDerWaalsContact OE1-CD2 3.24Å; E1281-L1302 WeakPolarHBondContact OE1-CD2 3.3Å; L1302-C1310 CarbonylContact O-C 3.55Å; L1302-C1310 VanDerWaalsContact O-CA 3.26Å; L1302-C1310 WeakPolarHBondContact O-CA 3.04Å; L1302-Y1311 HydrophobicContact CB-CD1 4.26Å; L1302-Y1311 HydrophobicContact CB-CD2 4.21Å; L1302-Y1311 HydrophobicContact CB-CE1 3.81Å; L1302-Y1311 HydrophobicContact CB-CE2 3.77Å; L1302-Y1311 HydrophobicContact CB-CG 4.44Å; L1302-Y1311 HydrophobicContact CD1-CD2 4.45Å; L1302-Y1311 HydrophobicContact CD1-CE2 3.59Å; L1302-Y1311 HydrophobicContact CG-CE2 4.33Å; L1302-Y1311 PolarHBondContact N-O 3.12Å; L1302-Y1311 PolarHBondContact O-N 3.17Å; L1302-R1313 HydrophobicContact CD1-CB 4.47Å; L1302-R1313 HydrophobicContact CD1-CG 3.89Å; L1302-R1313 HydrophobicContact CD2-CG 4.38Å; L1302-R1313 HydrophobicContact CG-CG 3.69Å
1303C81.5Confident77Confident10 Ų1058.9 Ų58.97%0.06830%0.302CS..EExtended strand (participates in β ladder)trans-88.2129.6169.2-175.80000109.6C1292 P1305C1292-C1303 HydrophobicContact CB-CB 3.43Å; C1292-C1303 VanDerWaalsContact CB-CB 3.43Å; C1292-C1303 WeakPolarHBondContact CB-SG 3.5Å; C1292-C1303 WeakPolarHBondContact SG-CB 3.01Å; C1292-C1303 CovalentContact SG-SG 2.03Å; C1292-C1303 PolarHBondContact SG-SG 3.49Å; C1303-P1305 WeakPolarHBondContact O-CD 3.29Å
1304D78.9Confident76.6Confident35 Ų3556.3 Ų56.319%0.18729%0.29CS..PPolyproline II helixtrans-64.9116.5161.9179.1-31.3000108.2W1284 I1306 H1307 G1308 V1309 Y1311W1284-D1304 WeakPolarHBondContact CB-O 3.46Å; D1304-I1306 PolarHBondContact O-N 2.94Å; D1304-I1306 WeakPolarHBondContact OD1-CA 3.42Å; D1304-I1306 WeakPolarHBondContact OD1-CB 3.31Å; D1304-I1306 PolarHBondContact OD1-N 3.48Å; D1304-H1307 HydrophobicContact CB-CB 4.46Å; D1304-H1307 PolarHBondContact O-N 2.84Å; D1304-H1307 PolarHBondContact OD1-N 3.29Å; D1304-H1307 IonicContact OD1-ND1 3.44Å; D1304-H1307 PolarHBondContact OD1-ND1 2.85Å; D1304-H1307 IonicContact OD2-CE1 3.93Å; D1304-H1307 IonicContact OD2-CG 3.61Å; D1304-H1307 IonicContact OD2-ND1 2.83Å; D1304-H1307 PolarHBondContact OD2-ND1 3.23Å; D1304-G1308 WeakPolarHBondContact O-CA 3.23Å; D1304-G1308 PolarHBondContact O-N 2.9Å; D1304-V1309 HydrophobicContact CB-CB 4.12Å; D1304-V1309 VanDerWaalsContact CB-O 3.29Å; D1304-V1309 WeakPolarHBondContact CB-O 3.46Å; D1304-V1309 PolarHBondContact N-O 2.79Å; D1304-Y1311 HydrophobicContact CB-CD1 4.32Å; D1304-Y1311 HydrophobicContact CB-CE1 4.25Å
1305P78Confident76.3Confident37 Ų3756.3 Ų56.324%0.2429%0.29CS..THydrogen-bonded Turntrans-69.9-19.1-174.431.4-37.1000112.6G1269 C1279 W1284 G1285 C1303G1269-P1305 VanDerWaalsContact CA-O 3.25Å; G1269-P1305 WeakPolarHBondContact CA-O 3.22Å; G1269-P1305 PolarHBondContact N-O 3.49Å; C1279-P1305 HydrophobicContact CB-CB 3.68Å; W1284-P1305 WeakPolarHBondContact CA-O 3.49Å; W1284-P1305 WeakPolarHBondContact CB-O 3.06Å; G1285-P1305 PolarHBondContact N-O 3.36Å; C1303-P1305 WeakPolarHBondContact O-CD 3.29Å
1306I76.1Confident76.6Confident83 Ų8354.9 Ų54.943%0.42628%0.282SS..THydrogen-bonded Turntrans-86.2-51.5176.4-50.6179.7000109.6A1268 D1304A1268-I1306 HydrophobicContact CB-CG2 4.04Å; D1304-I1306 PolarHBondContact O-N 2.94Å; D1304-I1306 WeakPolarHBondContact OD1-CA 3.42Å; D1304-I1306 WeakPolarHBondContact OD1-CB 3.31Å; D1304-I1306 PolarHBondContact OD1-N 3.48Å
1307H82.2Confident76.8Confident115 Ų11550.9 Ų50.953%0.53226%0.261SS..THydrogen-bonded Turntrans-109.2-7.1-165.5-51.1104.1000115.9D1304 V1309D1304-H1307 HydrophobicContact CB-CB 4.46Å; D1304-H1307 PolarHBondContact O-N 2.84Å; D1304-H1307 PolarHBondContact OD1-N 3.29Å; D1304-H1307 IonicContact OD1-ND1 3.44Å; D1304-H1307 PolarHBondContact OD1-ND1 2.85Å; D1304-H1307 IonicContact OD2-CE1 3.93Å; D1304-H1307 IonicContact OD2-CG 3.61Å; D1304-H1307 IonicContact OD2-ND1 2.83Å; D1304-H1307 PolarHBondContact OD2-ND1 3.23Å; H1307-V1309 HydrophobicContact CB-CG2 3.89Å; H1307-V1309 PolarHBondContact O-N 2.99Å
1308G78.6Confident76.9Confident18 Ų1846 Ų4619%0.18625%0.248CC..  trans69.67.8-176.100000115.3C1292 D1304 C1310C1292-G1308 PolarHBondContact SG-O 2.04Å; C1292-G1308 VanDerWaalsContact SG-O 3.38Å; D1304-G1308 WeakPolarHBondContact O-CA 3.23Å; D1304-G1308 PolarHBondContact O-N 2.9Å; G1308-C1310 PolarHBondContact O-N 2.79Å
1309V81.7Confident76.6Confident87 Ų8750.1 Ų50.153%0.52728%0.277SS..  trans-73.5125.8179.8178.30000109.6D1304 H1307 Y1311D1304-V1309 HydrophobicContact CB-CB 4.12Å; D1304-V1309 VanDerWaalsContact CB-O 3.29Å; D1304-V1309 WeakPolarHBondContact CB-O 3.46Å; D1304-V1309 PolarHBondContact N-O 2.79Å; H1307-V1309 HydrophobicContact CB-CG2 3.89Å; H1307-V1309 PolarHBondContact O-N 2.99Å; V1309-Y1311 PolarHBondContact O-N 2.05Å
1310C80.4Confident76.6Confident27 Ų2748.6 Ų48.618%0.18227%0.268CS..EExtended strand (participates in β ladder)trans-78.2121.3176.7-58.30000111.3C1294 M1301 L1302 G1308C1294-C1310 WeakPolarHBondContact CA-SG 3.34Å; C1294-C1310 HydrophobicContact CB-CB 3.9Å; C1294-C1310 WeakPolarHBondContact CB-SG 3.23Å; C1294-C1310 WeakPolarHBondContact SG-CA 3.42Å; C1294-C1310 WeakPolarHBondContact SG-CB 3Å; C1294-C1310 CovalentContact SG-SG 2.04Å; C1294-C1310 PolarHBondContact SG-SG 3.49Å; M1301-C1310 HydrophobicContact CB-CB 4.25Å; M1301-C1310 HydrophobicContact CE-CB 3.75Å; M1301-C1310 HydrophobicContact SD-CB 4.04Å; L1302-C1310 CarbonylContact O-C 3.55Å; L1302-C1310 VanDerWaalsContact O-CA 3.26Å; L1302-C1310 WeakPolarHBondContact O-CA 3.04Å; G1308-C1310 PolarHBondContact O-N 2.79Å
1311Y80.4Confident76.6Confident86 Ų8647.1 Ų47.134%0.33726%0.26SS..EExtended strand (participates in β ladder)trans-124.9163.6175.566.8-85.8000111.3M1301 L1302 D1304 V1309M1301-Y1311 CarbonylContact C-O 3.58Å; M1301-Y1311 VanDerWaalsContact CA-O 3.3Å; M1301-Y1311 WeakPolarHBondContact CA-O 3.48Å; L1302-Y1311 HydrophobicContact CB-CD1 4.26Å; L1302-Y1311 HydrophobicContact CB-CD2 4.21Å; L1302-Y1311 HydrophobicContact CB-CE1 3.81Å; L1302-Y1311 HydrophobicContact CB-CE2 3.77Å; L1302-Y1311 HydrophobicContact CB-CG 4.44Å; L1302-Y1311 HydrophobicContact CD1-CD2 4.45Å; L1302-Y1311 HydrophobicContact CD1-CE2 3.59Å; L1302-Y1311 HydrophobicContact CG-CE2 4.33Å; L1302-Y1311 PolarHBondContact N-O 3.12Å; L1302-Y1311 PolarHBondContact O-N 3.17Å; D1304-Y1311 HydrophobicContact CB-CD1 4.32Å; D1304-Y1311 HydrophobicContact CB-CE1 4.25Å; V1309-Y1311 PolarHBondContact O-N 2.05Å
1312C77.4Confident76.4Confident8 Ų852.6 Ų52.65%0.05429%0.289CS..EExtended strand (participates in β ladder)trans-76.3138.8-176.9-60.30000112.8W1316 G1318 C1321C1312-W1316 HydrophobicContact CB-CB 4.05Å; C1312-G1318 PolarHBondContact SG-O 2.85Å; C1312-C1321 WeakPolarHBondContact CA-SG 3.31Å; C1312-C1321 HydrophobicContact CB-CB 3.86Å; C1312-C1321 WeakPolarHBondContact CB-SG 3.48Å; C1312-C1321 VanDerWaalsContact SG-CA 3.51Å; C1312-C1321 WeakPolarHBondContact SG-CB 3.45Å; C1312-C1321 CovalentContact SG-SG 2.04Å; C1312-C1321 PolarHBondContact SG-SG 2.85Å
1313R74.8Confident76.5Confident68 Ų6854 Ų5426%0.25730%0.3SS..PPolyproline II helixtrans-51.2142.7160.4-72.7-177.2-167.6-83.7-1.5109E1281 N1299 N1300 L1302 G1315 W1316E1281-R1313 VanDerWaalsContact CD-NH2 3.26Å; E1281-R1313 IonicContact OE1-CZ 3.45Å; E1281-R1313 IonicContact OE1-NH1 3.55Å; E1281-R1313 PolarHBondContact OE1-NH1 2.91Å; E1281-R1313 IonicContact OE1-NH2 3.32Å; E1281-R1313 PolarHBondContact OE1-NH2 3.43Å; E1281-R1313 IonicContact OE2-CZ 3.59Å; E1281-R1313 IonicContact OE2-NH1 2.72Å; E1281-R1313 IonicContact OE2-NH2 2.71Å; E1281-R1313 PolarHBondContact OE2-NH2 3.27Å; N1299-R1313 PolarHBondContact O-NE 3.12Å; N1299-R1313 VanDerWaalsContact O-NE 3.15Å; N1300-R1313 WeakPolarHBondContact O-CG 3.37Å; N1300-R1313 PolarHBondContact O-N 3.27Å; L1302-R1313 HydrophobicContact CD1-CB 4.47Å; L1302-R1313 HydrophobicContact CD1-CG 3.89Å; L1302-R1313 HydrophobicContact CD2-CG 4.38Å; L1302-R1313 HydrophobicContact CG-CG 3.69Å; R1313-G1315 PolarHBondContact O-N 2.81Å; R1313-W1316 PolarHBondContact O-N 3.19Å
1314P72.7Confident76.1Confident47 Ų4760.1 Ų60.131%0.30532%0.322SS..THydrogen-bonded Turntrans-48.4139.8173.7-27.735.2000111.5I1332 D1349P1314-I1332 HydrophobicContact CG-CG1 4.13Å; P1314-D1349 WeakPolarHBondContact CB-O 3.09Å
1315G71.4Confident76Confident0 Ų059.1 Ų59.10%032%0.318CS..THydrogen-bonded Turntrans89.8-2.6-175.200000115.8R1313 R1324 C1325 G1331 P1348R1313-G1315 PolarHBondContact O-N 2.81Å; G1315-R1324 CarbonylContact O-C 3.58Å; G1315-R1324 WeakPolarHBondContact O-CA 3.04Å; G1315-C1325 WeakPolarHBondContact CA-SG 3.04Å; G1315-C1325 PolarHBondContact O-N 3.44Å; G1315-C1325 PolarHBondContact O-SG 3.05Å; G1315-G1331 PolarHBondContact N-O 3.28Å; G1315-P1348 VanDerWaalsContact CA-O 3.23Å; G1315-P1348 WeakPolarHBondContact CA-O 3.02Å; G1315-P1348 PolarHBondContact N-O 3.14Å
1316W77.4Confident76.1Confident42 Ų4260.7 Ų60.716%0.15933%0.328CS..EExtended strand (participates in β ladder)trans-120155.5178.1-60.886.6000113.6N1300 C1312 R1313 C1321 S1323 R1324N1300-W1316 HydrophobicContact CB-CD2 4.06Å; N1300-W1316 HydrophobicContact CB-CG 4.09Å; N1300-W1316 VanDerWaalsContact ND2-CD2 3.3Å; N1300-W1316 WeakPolarHBondContact ND2-CH2 3.39Å; N1300-W1316 WeakPolarHBondContact ND2-CZ2 3.04Å; N1300-W1316 WeakPolarHBondContact ND2-CZ3 3.1Å; C1312-W1316 HydrophobicContact CB-CB 4.05Å; R1313-W1316 PolarHBondContact O-N 3.19Å; W1316-C1321 HydrophobicContact CB-CB 4.18Å; W1316-C1321 VanDerWaalsContact CE3-O 3.3Å; W1316-S1323 CarbonylContact C-O 3.59Å; W1316-S1323 WeakPolarHBondContact CA-O 3.04Å; W1316-R1324 HydrophobicContact CD2-CG 4.24Å; W1316-R1324 HydrophobicContact CE3-CG 3.92Å; W1316-R1324 HydrophobicContact CH2-CG 3.86Å; W1316-R1324 HydrophobicContact CZ2-CG 4.16Å; W1316-R1324 HydrophobicContact CZ3-CG 3.72Å
1317L75.9Confident75.9Confident63 Ų6361.9 Ų61.933%0.3335%0.35SS..EExtended strand (participates in β ladder)trans-139.7155.3-168178.963.3000111.4C1321 I1322 S1323L1317-C1321 CarbonylContact O-C 3.52Å; L1317-C1321 WeakPolarHBondContact O-CA 3.43Å; L1317-I1322 PolarHBondContact O-N 3.42Å; L1317-S1323 PolarHBondContact N-O 3.17Å; L1317-S1323 PolarHBondContact O-N 3.18Å; L1317-S1323 PolarHBondContact O-OG 3.02Å; L1317-S1323 VanDerWaalsContact O-OG 3.1Å
1318G71.4Confident75.8Confident28 Ų2857.7 Ų57.729%0.28934%0.338SS..THydrogen-bonded Turntrans89164.917200000113.9C1312 N1320 C1321C1312-G1318 PolarHBondContact SG-O 2.85Å; G1318-N1320 PolarHBondContact O-N 2.89Å; G1318-N1320 VanDerWaalsContact O-N 3.07Å; G1318-C1321 PolarHBondContact O-N 3.38Å
1319P69Low76Confident123 Ų12361.7 Ų61.780%0.79935%0.348SS*.THydrogen-bonded Turntrans-61.9-25.2-16623.1-34.5000114.8M1301M1301-P1319 VanDerWaalsContact CE-O 3.25Å; M1301-P1319 WeakPolarHBondContact CE-O 3.15Å
1320N72.3Confident76.1Confident79 Ų7959.8 Ų59.842%0.42233%0.333SS..THydrogen-bonded Turntrans-118.319.5175.6-65-8.1000112N1298 G1318 I1322N1298-N1320 WeakPolarHBondContact CB-O 3.21Å; N1298-N1320 PolarHBondContact ND2-O 2.85Å; G1318-N1320 PolarHBondContact O-N 2.89Å; G1318-N1320 VanDerWaalsContact O-N 3.07Å; N1320-I1322 VanDerWaalsContact C-N 3.32Å; N1320-I1322 HydrophobicContact CB-CD1 3.89Å; N1320-I1322 HydrophobicContact CB-CG1 3.85Å; N1320-I1322 WeakPolarHBondContact O-CG1 3.29Å; N1320-I1322 PolarHBondContact O-N 3.32Å
1321C74.3Confident75.4Confident0 Ų058.9 Ų58.90%033%0.328CS..THydrogen-bonded Turntrans53.942176.6-47.30000114.7N1298 N1300 M1301 C1312 W1316 L1317 G1318N1298-C1321 PolarHBondContact ND2-O 2.74Å; N1300-C1321 HydrophobicContact CB-CB 3.77Å; N1300-C1321 PolarHBondContact ND2-O 2.01Å; M1301-C1321 HydrophobicContact CG-CB 4.13Å; M1301-C1321 WeakPolarHBondContact CG-SG 3.06Å; C1312-C1321 WeakPolarHBondContact CA-SG 3.31Å; C1312-C1321 HydrophobicContact CB-CB 3.86Å; C1312-C1321 WeakPolarHBondContact CB-SG 3.48Å; C1312-C1321 VanDerWaalsContact SG-CA 3.51Å; C1312-C1321 WeakPolarHBondContact SG-CB 3.45Å; C1312-C1321 CovalentContact SG-SG 2.04Å; C1312-C1321 PolarHBondContact SG-SG 2.85Å; W1316-C1321 HydrophobicContact CB-CB 4.18Å; W1316-C1321 VanDerWaalsContact CE3-O 3.3Å; L1317-C1321 CarbonylContact O-C 3.52Å; L1317-C1321 WeakPolarHBondContact O-CA 3.43Å; G1318-C1321 PolarHBondContact O-N 3.38Å
1322I75.9Confident74.9Confident124 Ų12458.2 Ų58.264%0.63633%0.33SS*.  trans-89.2-37.2-173.4-55.4176.2000111.2L1317 N1320L1317-I1322 PolarHBondContact O-N 3.42Å; N1320-I1322 VanDerWaalsContact C-N 3.32Å; N1320-I1322 HydrophobicContact CB-CD1 3.89Å; N1320-I1322 HydrophobicContact CB-CG1 3.85Å; N1320-I1322 WeakPolarHBondContact O-CG1 3.29Å; N1320-I1322 PolarHBondContact O-N 3.32Å
1323S75.5Confident74.5Confident53 Ų5362.5 Ų62.537%0.37135%0.352SS..EExtended strand (participates in β ladder)trans-88141.8177.330.30000110.9W1316 L1317W1316-S1323 CarbonylContact C-O 3.59Å; W1316-S1323 WeakPolarHBondContact CA-O 3.04Å; L1317-S1323 PolarHBondContact N-O 3.17Å; L1317-S1323 PolarHBondContact O-N 3.18Å; L1317-S1323 PolarHBondContact O-OG 3.02Å; L1317-S1323 VanDerWaalsContact O-OG 3.1Å
1324R74.8Confident74.6Confident139 Ų13959.9 Ų59.953%0.52534%0.344SS..EExtended strand (participates in β ladder)trans-75164.8161.8-72.5-178.2173.2-90.35.2110.1G1315 W1316G1315-R1324 CarbonylContact O-C 3.58Å; G1315-R1324 WeakPolarHBondContact O-CA 3.04Å; W1316-R1324 HydrophobicContact CD2-CG 4.24Å; W1316-R1324 HydrophobicContact CE3-CG 3.92Å; W1316-R1324 HydrophobicContact CH2-CG 3.86Å; W1316-R1324 HydrophobicContact CZ2-CG 4.16Å; W1316-R1324 HydrophobicContact CZ3-CG 3.72Å
1325C75.7Confident74.9Confident15 Ų1563.3 Ų63.310%0.10136%0.356CS..PPolyproline II helixtrans-57.3145.1172.1-66.70000112.9G1315 Y1329 C1334 P1348G1315-C1325 WeakPolarHBondContact CA-SG 3.04Å; G1315-C1325 PolarHBondContact O-N 3.44Å; G1315-C1325 PolarHBondContact O-SG 3.05Å; C1325-Y1329 VanDerWaalsContact CB-O 3.29Å; C1325-Y1329 WeakPolarHBondContact CB-O 3.39Å; C1325-C1334 WeakPolarHBondContact CA-SG 2.99Å; C1325-C1334 HydrophobicContact CB-CB 3.69Å; C1325-C1334 WeakPolarHBondContact CB-SG 3.01Å; C1325-C1334 WeakPolarHBondContact SG-CA 3.42Å; C1325-C1334 WeakPolarHBondContact SG-CB 3.3Å; C1325-C1334 CovalentContact SG-SG 2.03Å; C1325-C1334 PolarHBondContact SG-SG 2.86Å; C1325-P1348 HydrophobicContact CB-CB 4.1Å
1326P79.7Confident75.2Confident70 Ų7067.4 Ų67.446%0.45538%0.375SS..PPolyproline II helixtrans-56.4150.4171.3-23.233.9000111.7G1328 Y1329P1326-G1328 PolarHBondContact O-N 2.9Å; P1326-G1328 VanDerWaalsContact O-N 3.16Å; P1326-Y1329 HydrophobicContact CB-CD2 4.08Å; P1326-Y1329 PolarHBondContact O-N 2.03Å
1327A73Confident75.4Confident108 Ų10870.7 Ų70.789%0.89339%0.392SS*.THydrogen-bonded Turntrans-56.1122.7179.900000111
1328G79.4Confident75.4Confident26 Ų2668.6 Ų68.627%0.26838%0.382SS..THydrogen-bonded Turntrans99.7-6.5-175.300000115.4P1326 C1338 C1346P1326-G1328 PolarHBondContact O-N 2.9Å; P1326-G1328 VanDerWaalsContact O-N 3.16Å; G1328-C1338 WeakPolarHBondContact O-CB 3.47Å; G1328-C1338 PolarHBondContact O-N 3.49Å; G1328-C1346 VanDerWaalsContact C-SG 3.58Å
1329Y83.1Confident76Confident103 Ų10373.4 Ų73.440%0.40440%0.395SS..EExtended strand (participates in β ladder)trans-115.2149.6-177.4-68.4-96.1000113.5C1325 P1326 C1334 H1336 E1337C1325-Y1329 VanDerWaalsContact CB-O 3.29Å; C1325-Y1329 WeakPolarHBondContact CB-O 3.39Å; P1326-Y1329 HydrophobicContact CB-CD2 4.08Å; P1326-Y1329 PolarHBondContact O-N 2.03Å; Y1329-C1334 WeakPolarHBondContact CD1-O 3.42Å; Y1329-H1336 CarbonylContact C-O 3.58Å; Y1329-H1336 VanDerWaalsContact CA-O 3.23Å; Y1329-H1336 WeakPolarHBondContact CA-O 3.38Å; Y1329-E1337 HydrophobicContact CE1-CB 4.36Å
1330F83.2Confident76.6Confident46 Ų4669.4 Ų69.420%0.20237%0.37CS..EExtended strand (participates in β ladder)trans-146.8170.6-176.776.7-90000115.2C1334 Q1335 H1336 P1348 G1351F1330-C1334 CarbonylContact O-C 3.58Å; F1330-C1334 VanDerWaalsContact O-C 3.28Å; F1330-C1334 WeakPolarHBondContact O-CA 3.34Å; F1330-Q1335 PolarHBondContact O-N 3.43Å; F1330-H1336 HydrophobicContact CD1-CB 3.69Å; F1330-H1336 WeakPolarHBondContact CD1-O 3.38Å; F1330-H1336 HydrophobicContact CD2-CB 4.04Å; F1330-H1336 HydrophobicContact CE1-CB 3.37Å; F1330-H1336 HydrophobicContact CE2-CB 3.75Å; F1330-H1336 AromaticContact CE2-CD2 3.86Å; F1330-H1336 HydrophobicContact CG-CB 4.03Å; F1330-H1336 HydrophobicContact CZ-CB 3.41Å; F1330-H1336 VanDerWaalsContact CZ-CB 3.41Å; F1330-H1336 PolarHBondContact N-O 2.86Å; F1330-H1336 PolarHBondContact O-N 2.98Å; F1330-P1348 CarbonylContact C-O 3.35Å; F1330-P1348 WeakPolarHBondContact CA-O 3.5Å; F1330-P1348 VanDerWaalsContact CB-O 3.24Å; F1330-P1348 WeakPolarHBondContact CB-O 3.27Å; F1330-G1351 VanDerWaalsContact CD2-N 3.3Å
1331G66.6Low77Confident8 Ų872.1 Ų72.18%0.08238%0.378CS..SBendtrans92.1-167.6172.200000114G1315 N1333 C1334 P1348G1315-G1331 PolarHBondContact N-O 3.28Å; G1331-N1333 PolarHBondContact O-N 2.93Å; G1331-C1334 PolarHBondContact O-N 3.07Å; G1331-P1348 PolarHBondContact N-O 3.15Å
1332I68.5Low77.1Confident72 Ų7275.1 Ų75.137%0.36939%0.394SS..G310 helixtrans-62.3132.7171.2-67.2174.8000108.3P1314 C1334 Q1335P1314-I1332 HydrophobicContact CG-CG1 4.13Å; I1332-C1334 PolarHBondContact O-N 3.17Å; I1332-Q1335 VanDerWaalsContact O-CD 3.24Å; I1332-Q1335 VanDerWaalsContact O-CG 3.27Å; I1332-Q1335 WeakPolarHBondContact O-CG 3.38Å; I1332-Q1335 PolarHBondContact O-N 3.18Å; I1332-Q1335 PolarHBondContact O-OE1 3.39Å
1333N69.5Low77.1Confident99 Ų9975.5 Ų75.553%0.52940%0.397SS..G310 helixtrans49.622.8-177.4-63.9-30.2000115G1331 Q1335G1331-N1333 PolarHBondContact O-N 2.93Å; N1333-Q1335 PolarHBondContact O-N 2.83Å
1334C76.6Confident77.1Confident12 Ų1273.6 Ų73.68%0.08139%0.386CS..G310 helixtrans60.328.5178-45.80000114.7C1325 Y1329 F1330 G1331 I1332 H1336C1325-C1334 WeakPolarHBondContact CA-SG 2.99Å; C1325-C1334 HydrophobicContact CB-CB 3.69Å; C1325-C1334 WeakPolarHBondContact CB-SG 3.01Å; C1325-C1334 WeakPolarHBondContact SG-CA 3.42Å; C1325-C1334 WeakPolarHBondContact SG-CB 3.3Å; C1325-C1334 CovalentContact SG-SG 2.03Å; C1325-C1334 PolarHBondContact SG-SG 2.86Å; Y1329-C1334 WeakPolarHBondContact CD1-O 3.42Å; F1330-C1334 CarbonylContact O-C 3.58Å; F1330-C1334 VanDerWaalsContact O-C 3.28Å; F1330-C1334 WeakPolarHBondContact O-CA 3.34Å; G1331-C1334 PolarHBondContact O-N 3.07Å; I1332-C1334 PolarHBondContact O-N 3.17Å; C1334-H1336 VanDerWaalsContact C-N 3.27Å; C1334-H1336 PolarHBondContact O-N 2.58Å
1335Q80.4Confident77.4Confident119 Ų11971.4 Ų71.456%0.55639%0.388SS*.  trans-74.7-1.3-168.772.1-163.78.700116F1330 I1332 N1333F1330-Q1335 PolarHBondContact O-N 3.43Å; I1332-Q1335 VanDerWaalsContact O-CD 3.24Å; I1332-Q1335 VanDerWaalsContact O-CG 3.27Å; I1332-Q1335 WeakPolarHBondContact O-CG 3.38Å; I1332-Q1335 PolarHBondContact O-N 3.18Å; I1332-Q1335 PolarHBondContact O-OE1 3.39Å; N1333-Q1335 PolarHBondContact O-N 2.83Å
1336H77.5Confident77.7Confident86 Ų8671.5 Ų71.540%0.39839%0.388SS..EExtended strand (participates in β ladder)trans-126.1146-176.7-55.6-55000112.6Y1329 F1330 C1334Y1329-H1336 CarbonylContact C-O 3.58Å; Y1329-H1336 VanDerWaalsContact CA-O 3.23Å; Y1329-H1336 WeakPolarHBondContact CA-O 3.38Å; F1330-H1336 HydrophobicContact CD1-CB 3.69Å; F1330-H1336 WeakPolarHBondContact CD1-O 3.38Å; F1330-H1336 HydrophobicContact CD2-CB 4.04Å; F1330-H1336 HydrophobicContact CE1-CB 3.37Å; F1330-H1336 HydrophobicContact CE2-CB 3.75Å; F1330-H1336 AromaticContact CE2-CD2 3.86Å; F1330-H1336 HydrophobicContact CG-CB 4.03Å; F1330-H1336 HydrophobicContact CZ-CB 3.41Å; F1330-H1336 VanDerWaalsContact CZ-CB 3.41Å; F1330-H1336 PolarHBondContact N-O 2.86Å; F1330-H1336 PolarHBondContact O-N 2.98Å; C1334-H1336 VanDerWaalsContact C-N 3.27Å; C1334-H1336 PolarHBondContact O-N 2.58Å
1337E81.9Confident77.6Confident112 Ų11270.9 Ų70.952%0.52338%0.379SS..EExtended strand (participates in β ladder)trans-105.7130.1-178.1-175.8-162.9-150.700111.9Y1329 K1339Y1329-E1337 HydrophobicContact CE1-CB 4.36Å; E1337-K1339 WeakPolarHBondContact OE2-CE 3.31Å; E1337-K1339 IonicContact OE2-NZ 2.72Å; E1337-K1339 PolarHBondContact OE2-NZ 3.16Å
1338C75.5Confident77.5Confident19 Ų1967.1 Ų67.113%0.12835%0.346CS..  trans-81.5139.3174.1-78.80000113G1328 C1346 G1351G1328-C1338 WeakPolarHBondContact O-CB 3.47Å; G1328-C1338 PolarHBondContact O-N 3.49Å; C1338-C1346 HydrophobicContact CB-CB 3.39Å; C1338-C1346 WeakPolarHBondContact CB-SG 3.41Å; C1338-C1346 WeakPolarHBondContact SG-CB 3.01Å; C1338-C1346 CovalentContact SG-SG 2.03Å; C1338-C1346 PolarHBondContact SG-SG 3.36Å; C1338-G1351 PolarHBondContact SG-O 3.43Å
1339K82.9Confident76.9Confident129 Ų12968.9 Ų68.956%0.56135%0.349SS*.  trans-117.454-179.1-62.9-172.3174.6178.20113.1E1337 R1363E1337-K1339 WeakPolarHBondContact OE2-CE 3.31Å; E1337-K1339 IonicContact OE2-NZ 2.72Å; E1337-K1339 PolarHBondContact OE2-NZ 3.16Å; K1339-R1363 WeakPolarHBondContact O-CB 3.49Å; K1339-R1363 VanDerWaalsContact O-CD 3.28Å; K1339-R1363 WeakPolarHBondContact O-CD 3.27Å; K1339-R1363 WeakPolarHBondContact O-CG 3.34Å
1340C83Confident76.6Confident39 Ų3968.1 Ų68.126%0.26435%0.352SS..  trans-73.4143.5-178.4-48.40000112.7G1344 C1353C1340-G1344 WeakPolarHBondContact CB-O 3.39Å; C1340-C1353 WeakPolarHBondContact CA-SG 3.01Å; C1340-C1353 HydrophobicContact CB-CB 3.88Å; C1340-C1353 WeakPolarHBondContact CB-SG 3.33Å; C1340-C1353 WeakPolarHBondContact SG-CB 3.38Å; C1340-C1353 CovalentContact SG-SG 2.04Å; C1340-C1353 PolarHBondContact SG-SG 3.17Å
1341K80.3Confident76.3Confident136 Ų13666.7 Ų66.759%0.59135%0.35SS*.  trans-103.8178.7166.7-63.8-166.1173.3-170.80110.3N1343 G1344 R1363 Q1365K1341-N1343 VanDerWaalsContact C-N 3.26Å; K1341-N1343 PolarHBondContact O-N 3.12Å; K1341-N1343 VanDerWaalsContact O-N 3.12Å; K1341-G1344 PolarHBondContact O-N 2.79Å; K1341-R1363 WeakPolarHBondContact CA-O 3.24Å; K1341-R1363 WeakPolarHBondContact CB-O 3.35Å; K1341-R1363 PolarHBondContact N-O 3.06Å; K1341-Q1365 HydrophobicContact CD-CB 4.14Å
1342N75.4Confident76.9Confident63 Ų6369.4 Ų69.434%0.33737%0.365SS..THydrogen-bonded Turntrans47.945.9170.4-58.5-15.6000113.2G1344 Q1356 Y1359 C1364N1342-G1344 PolarHBondContact O-N 3.16Å; N1342-G1344 VanDerWaalsContact O-N 3.08Å; N1342-Q1356 VanDerWaalsContact O-CD 3.3Å; N1342-Q1356 WeakPolarHBondContact O-CG 3.33Å; N1342-Q1356 PolarHBondContact O-NE2 2.74Å; N1342-Q1356 VanDerWaalsContact O-NE2 3.09Å; N1342-Y1359 HydrophobicContact CB-CD1 4.02Å; N1342-Y1359 HydrophobicContact CB-CD2 4.39Å; N1342-Y1359 HydrophobicContact CB-CE1 4.2Å; N1342-Y1359 HydrophobicContact CB-CG 4.11Å; N1342-Y1359 VanDerWaalsContact ND2-CD1 3.33Å; N1342-Y1359 WeakPolarHBondContact ND2-CD1 3.33Å; N1342-Y1359 WeakPolarHBondContact ND2-CE1 3.27Å; N1342-C1364 WeakPolarHBondContact CB-O 3.04Å; N1342-C1364 PolarHBondContact ND2-O 3.4Å
1343N76.8Confident77.6Confident132 Ų13266.5 Ų66.571%0.70635%0.351SS*.THydrogen-bonded Turntrans51.625.3-176.5-59.9-9.1000115.7K1341K1341-N1343 VanDerWaalsContact C-N 3.26Å; K1341-N1343 PolarHBondContact O-N 3.12Å; K1341-N1343 VanDerWaalsContact O-N 3.12Å
1344G75.8Confident78.1Confident13 Ų1364.8 Ų64.813%0.13434%0.341CS..PPolyproline II helixtrans-62.2135.3172.300000112C1340 K1341 N1342 I1354C1340-G1344 WeakPolarHBondContact CB-O 3.39Å; K1341-G1344 PolarHBondContact O-N 2.79Å; N1342-G1344 PolarHBondContact O-N 3.16Å; N1342-G1344 VanDerWaalsContact O-N 3.08Å; G1344-I1354 CarbonylContact C-O 3.5Å; G1344-I1354 WeakPolarHBondContact CA-O 3.21Å
1345V81.2Confident78.3Confident93 Ų9364.3 Ų64.356%0.56434%0.338SS*.EExtended strand (participates in β ladder)trans-96129.7-177-179.50000110.2H1347 I1354V1345-H1347 PolarHBondContact O-N 3.49Å; V1345-I1354 HydrophobicContact CB-CB 4.4Å; V1345-I1354 PolarHBondContact N-O 3.43Å; V1345-I1354 WeakPolarHBondContact O-CB 3.41Å; V1345-I1354 PolarHBondContact O-N 3.24Å
1346C81Confident78.3Confident16 Ų1662.2 Ų62.211%0.10833%0.328CS..EExtended strand (participates in β ladder)trans-62.7124.3175.4-174.80000111.4G1328 C1338 P1348G1328-C1346 VanDerWaalsContact C-SG 3.58Å; C1338-C1346 HydrophobicContact CB-CB 3.39Å; C1338-C1346 WeakPolarHBondContact CB-SG 3.41Å; C1338-C1346 WeakPolarHBondContact SG-CB 3.01Å; C1338-C1346 CovalentContact SG-SG 2.03Å; C1338-C1346 PolarHBondContact SG-SG 3.36Å; C1346-P1348 WeakPolarHBondContact O-CD 3.41Å
1347H77.6Confident78.4Confident58 Ų5859.6 Ų59.627%0.26932%0.322SS..  trans-75.9114.7170.7-167.5-65.1000109.4V1345 D1349 N1350 G1351 T1352 I1354V1345-H1347 PolarHBondContact O-N 3.49Å; H1347-D1349 VanDerWaalsContact C-N 3.25Å; H1347-D1349 IonicContact CE1-OD2 3.32Å; H1347-D1349 PolarHBondContact CE1-OD2 3.31Å; H1347-D1349 PolarHBondContact ND1-N 2.74Å; H1347-D1349 PolarHBondContact O-N 2.59Å; H1347-N1350 WeakPolarHBondContact CB-OD1 3.4Å; H1347-N1350 PolarHBondContact O-N 3.08Å; H1347-G1351 WeakPolarHBondContact O-CA 3.3Å; H1347-G1351 PolarHBondContact O-N 2.89Å; H1347-T1352 VanDerWaalsContact CB-O 3.24Å; H1347-T1352 WeakPolarHBondContact CB-O 3.29Å; H1347-T1352 PolarHBondContact N-O 3.14Å; H1347-I1354 HydrophobicContact CB-CD1 4.09Å; H1347-I1354 HydrophobicContact CB-CG1 4.14Å
1348P71Confident78.4Confident28 Ų2854.4 Ų54.418%0.18230%0.298CS..THydrogen-bonded Turntrans-63.3-31-168.922.4-31.7000113.1G1315 C1325 F1330 G1331 C1346G1315-P1348 VanDerWaalsContact CA-O 3.23Å; G1315-P1348 WeakPolarHBondContact CA-O 3.02Å; G1315-P1348 PolarHBondContact N-O 3.14Å; C1325-P1348 HydrophobicContact CB-CB 4.1Å; F1330-P1348 CarbonylContact C-O 3.35Å; F1330-P1348 WeakPolarHBondContact CA-O 3.5Å; F1330-P1348 VanDerWaalsContact CB-O 3.24Å; F1330-P1348 WeakPolarHBondContact CB-O 3.27Å; G1331-P1348 PolarHBondContact N-O 3.15Å; C1346-P1348 WeakPolarHBondContact O-CD 3.41Å
1349D68.2Low78.8Confident64 Ų6456.3 Ų56.334%0.34230%0.303SS..THydrogen-bonded Turntrans-78.9-27.5-172.7-43.1-11.6000112.8P1314 H1347P1314-D1349 WeakPolarHBondContact CB-O 3.09Å; H1347-D1349 VanDerWaalsContact C-N 3.25Å; H1347-D1349 IonicContact CE1-OD2 3.32Å; H1347-D1349 PolarHBondContact CE1-OD2 3.31Å; H1347-D1349 PolarHBondContact ND1-N 2.74Å; H1347-D1349 PolarHBondContact O-N 2.59Å
1350N75.9Confident78.9Confident87 Ų8754.4 Ų54.447%0.46529%0.293SS..THydrogen-bonded Turntrans-140.6-5.2-170.973.97.7000116.4H1347 T1352H1347-N1350 WeakPolarHBondContact CB-OD1 3.4Å; H1347-N1350 PolarHBondContact O-N 3.08Å; N1350-T1352 VanDerWaalsContact C-N 3.32Å; N1350-T1352 PolarHBondContact O-N 2.83Å; N1350-T1352 WeakPolarHBondContact OD1-CB 3.43Å; N1350-T1352 WeakPolarHBondContact OD1-CG2 2.88Å; N1350-T1352 PolarHBondContact OD1-N 2.88Å; N1350-T1352 PolarHBondContact OD1-OG1 2.82Å
1351G76.2Confident78.4Confident15 Ų1553.8 Ų53.816%0.15529%0.293CS..  trans80.41.5176.200000116.6F1330 C1338 H1347F1330-G1351 VanDerWaalsContact CD2-N 3.3Å; C1338-G1351 PolarHBondContact SG-O 3.43Å; H1347-G1351 WeakPolarHBondContact O-CA 3.3Å; H1347-G1351 PolarHBondContact O-N 2.89Å
1352T79.7Confident78.1Confident66 Ų6655.2 Ų55.241%0.40530%0.302SS..  trans-68.5141.317658.30000111.2H1347 N1350 I1354H1347-T1352 VanDerWaalsContact CB-O 3.24Å; H1347-T1352 WeakPolarHBondContact CB-O 3.29Å; H1347-T1352 PolarHBondContact N-O 3.14Å; N1350-T1352 VanDerWaalsContact C-N 3.32Å; N1350-T1352 PolarHBondContact O-N 2.83Å; N1350-T1352 WeakPolarHBondContact OD1-CB 3.43Å; N1350-T1352 WeakPolarHBondContact OD1-CG2 2.88Å; N1350-T1352 PolarHBondContact OD1-N 2.88Å; N1350-T1352 PolarHBondContact OD1-OG1 2.82Å; T1352-I1354 PolarHBondContact O-N 2.88Å
1353C83.4Confident78.5Confident11 Ų1158.9 Ų58.97%0.07431%0.311CS..EExtended strand (participates in β ladder)trans-81.8117.5175.7-67.20000111C1340 C1355 E1362 C1364C1340-C1353 WeakPolarHBondContact CA-SG 3.01Å; C1340-C1353 HydrophobicContact CB-CB 3.88Å; C1340-C1353 WeakPolarHBondContact CB-SG 3.33Å; C1340-C1353 WeakPolarHBondContact SG-CB 3.38Å; C1340-C1353 CovalentContact SG-SG 2.04Å; C1340-C1353 PolarHBondContact SG-SG 3.17Å; C1353-C1355 PolarHBondContact O-N 2.04Å; C1353-C1355 PolarHBondContact O-SG 3.22Å; C1353-E1362 WeakPolarHBondContact CB-O 3.39Å; C1353-E1362 PolarHBondContact SG-O 3.46Å; C1353-E1362 VanDerWaalsContact SG-O 3.41Å; C1353-C1364 VanDerWaalsContact CB-SG 3.57Å
1354I79.1Confident78.8Confident62 Ų6252.6 Ų52.632%0.31828%0.277SS..EExtended strand (participates in β ladder)trans-81103.5173.9-52.8169.4000108.2G1344 V1345 H1347 T1352G1344-I1354 CarbonylContact C-O 3.5Å; G1344-I1354 WeakPolarHBondContact CA-O 3.21Å; V1345-I1354 HydrophobicContact CB-CB 4.4Å; V1345-I1354 PolarHBondContact N-O 3.43Å; V1345-I1354 WeakPolarHBondContact O-CB 3.41Å; V1345-I1354 PolarHBondContact O-N 3.24Å; H1347-I1354 HydrophobicContact CB-CD1 4.09Å; H1347-I1354 HydrophobicContact CB-CG1 4.14Å; T1352-I1354 PolarHBondContact O-N 2.88Å
1355C81.9Confident79.1Confident3 Ų355.9 Ų55.92%0.0229%0.289CS..PPolyproline II helixtrans-81.7132.2-174.8-49.40000112.8C1353 Y1359 C1364 L1375 Q1376C1353-C1355 PolarHBondContact O-N 2.04Å; C1353-C1355 PolarHBondContact O-SG 3.22Å; C1355-Y1359 WeakPolarHBondContact CB-O 3.47Å; C1355-C1364 WeakPolarHBondContact CA-SG 3.41Å; C1355-C1364 HydrophobicContact CB-CB 3.69Å; C1355-C1364 WeakPolarHBondContact CB-SG 3.42Å; C1355-C1364 WeakPolarHBondContact SG-CA 3.02Å; C1355-C1364 WeakPolarHBondContact SG-CB 3.37Å; C1355-C1364 CovalentContact SG-SG 2.03Å; C1355-C1364 PolarHBondContact SG-SG 2.92Å; C1355-L1375 WeakPolarHBondContact O-CD2 3.19Å; C1355-Q1376 HydrophobicContact CB-CG 4.2Å; C1355-Q1376 PolarHBondContact O-N 3.1Å
1356Q79.3Confident79Confident74 Ų7454.8 Ų54.835%0.34628%0.28SS..PPolyproline II helixtrans-60.4163.1169.668.5-179.84.100111.4N1342 G1358 Y1359N1342-Q1356 VanDerWaalsContact O-CD 3.3Å; N1342-Q1356 WeakPolarHBondContact O-CG 3.33Å; N1342-Q1356 PolarHBondContact O-NE2 2.74Å; N1342-Q1356 VanDerWaalsContact O-NE2 3.09Å; Q1356-G1358 PolarHBondContact O-N 2.91Å; Q1356-Y1359 HydrophobicContact CG-CD2 3.74Å; Q1356-Y1359 HydrophobicContact CG-CE2 4.18Å; Q1356-Y1359 PolarHBondContact O-N 3.39Å
1357A80.5Confident79Confident32 Ų3258.1 Ų58.126%0.26430%0.296SS..THydrogen-bonded Turntrans-57.5138.6-176.700000112.4G1374 I1392A1357-G1374 WeakPolarHBondContact CA-O 3.46Å; A1357-I1392 HydrophobicContact CB-CG2 4.29Å
1358G82.1Confident79.1Confident2 Ų255.8 Ų55.82%0.02129%0.286CS..THydrogen-bonded Turntrans92-3-174.600000115.5Q1356 N1367 C1368 G1374 E1391Q1356-G1358 PolarHBondContact O-N 2.91Å; G1358-N1367 CarbonylContact O-C 3.57Å; G1358-N1367 VanDerWaalsContact O-CA 3.32Å; G1358-N1367 WeakPolarHBondContact O-CA 3.03Å; G1358-C1368 WeakPolarHBondContact CA-SG 3.47Å; G1358-C1368 PolarHBondContact O-N 2.66Å; G1358-G1374 PolarHBondContact N-O 3.4Å; G1358-E1391 WeakPolarHBondContact CA-O 3.46Å
1359Y84.6Confident79.4Confident59 Ų5956.6 Ų56.623%0.23129%0.292CS..EExtended strand (participates in β ladder)trans-134.7149.1-175.3-57.2-82.7000115.2N1342 C1355 Q1356 L1366 C1377N1342-Y1359 HydrophobicContact CB-CD1 4.02Å; N1342-Y1359 HydrophobicContact CB-CD2 4.39Å; N1342-Y1359 HydrophobicContact CB-CE1 4.2Å; N1342-Y1359 HydrophobicContact CB-CG 4.11Å; N1342-Y1359 VanDerWaalsContact ND2-CD1 3.33Å; N1342-Y1359 WeakPolarHBondContact ND2-CD1 3.33Å; N1342-Y1359 WeakPolarHBondContact ND2-CE1 3.27Å; C1355-Y1359 WeakPolarHBondContact CB-O 3.47Å; Q1356-Y1359 HydrophobicContact CG-CD2 3.74Å; Q1356-Y1359 HydrophobicContact CG-CE2 4.18Å; Q1356-Y1359 PolarHBondContact O-N 3.39Å; Y1359-L1366 CarbonylContact C-O 3.55Å; Y1359-L1366 WeakPolarHBondContact CA-O 3.43Å; Y1359-C1377 VanDerWaalsContact C-SG 3.52Å; Y1359-C1377 PolarHBondContact O-SG 2.7Å
1360Y83.7Confident79.6Confident90 Ų9059 Ų5935%0.35331%0.311SS..EExtended strand (participates in β ladder)trans-143.7179.7174.485.6-72.3000113.9C1364 Q1365 L1366 N1367 P1369Y1360-C1364 CarbonylContact O-C 3.55Å; Y1360-C1364 VanDerWaalsContact O-C 3.24Å; Y1360-C1364 VanDerWaalsContact O-CA 3.29Å; Y1360-C1364 WeakPolarHBondContact O-CA 3.49Å; Y1360-Q1365 PolarHBondContact O-N 3.06Å; Y1360-L1366 HydrophobicContact CD1-CB 3.64Å; Y1360-L1366 HydrophobicContact CE1-CB 3.41Å; Y1360-L1366 VanDerWaalsContact CE1-CB 3.41Å; Y1360-L1366 HydrophobicContact CE1-CD1 3.91Å; Y1360-L1366 HydrophobicContact CE1-CG 4.3Å; Y1360-L1366 HydrophobicContact CE2-CD1 3.87Å; Y1360-L1366 HydrophobicContact CG-CB 4.39Å; Y1360-L1366 PolarHBondContact N-O 3.06Å; Y1360-L1366 PolarHBondContact O-N 3.42Å; Y1360-L1366 VanDerWaalsContact O-N 3.13Å; Y1360-N1367 WeakPolarHBondContact CD1-O 2.98Å; Y1360-N1367 WeakPolarHBondContact CE1-O 3.27Å; Y1360-P1369 HydrophobicContact CE1-CG 4.49Å
1361G73.2Confident79.4Confident26 Ų2655.8 Ų55.827%0.26830%0.298SS..SBendtrans99.6161.6178.800000113.4R1363 C1364G1361-R1363 PolarHBondContact O-N 3.24Å; G1361-C1364 PolarHBondContact O-N 3.1Å
1362E73.5Confident79.7Confident165 Ų16558.4 Ų58.477%0.77131%0.305SS*.THydrogen-bonded Turntrans-38.7-39179.1-76-85.2108.100115.3C1353C1353-E1362 WeakPolarHBondContact CB-O 3.39Å; C1353-E1362 PolarHBondContact SG-O 3.46Å; C1353-E1362 VanDerWaalsContact SG-O 3.41Å
1363R83Confident80Confident140 Ų14057.7 Ų57.753%0.52830%0.296SS..THydrogen-bonded Turntrans-123.623.5-179.2-59.9177.7-176.3173.54.4111.6K1339 K1341 G1361 Q1365K1339-R1363 WeakPolarHBondContact O-CB 3.49Å; K1339-R1363 VanDerWaalsContact O-CD 3.28Å; K1339-R1363 WeakPolarHBondContact O-CD 3.27Å; K1339-R1363 WeakPolarHBondContact O-CG 3.34Å; K1341-R1363 WeakPolarHBondContact CA-O 3.24Å; K1341-R1363 WeakPolarHBondContact CB-O 3.35Å; K1341-R1363 PolarHBondContact N-O 3.06Å; G1361-R1363 PolarHBondContact O-N 3.24Å; R1363-Q1365 VanDerWaalsContact C-OE1 3.28Å; R1363-Q1365 VanDerWaalsContact CA-OE1 3.31Å; R1363-Q1365 PolarHBondContact O-N 2.89Å; R1363-Q1365 VanDerWaalsContact O-N 3.16Å
1364C84Confident79.7Confident0 Ų057.4 Ų57.40%030%0.295CS..SBendtrans55.227-176.3-52.70000114.7N1342 C1353 C1355 Y1360 G1361 L1366N1342-C1364 WeakPolarHBondContact CB-O 3.04Å; N1342-C1364 PolarHBondContact ND2-O 3.4Å; C1353-C1364 VanDerWaalsContact CB-SG 3.57Å; C1355-C1364 WeakPolarHBondContact CA-SG 3.41Å; C1355-C1364 HydrophobicContact CB-CB 3.69Å; C1355-C1364 WeakPolarHBondContact CB-SG 3.42Å; C1355-C1364 WeakPolarHBondContact SG-CA 3.02Å; C1355-C1364 WeakPolarHBondContact SG-CB 3.37Å; C1355-C1364 CovalentContact SG-SG 2.03Å; C1355-C1364 PolarHBondContact SG-SG 2.92Å; Y1360-C1364 CarbonylContact O-C 3.55Å; Y1360-C1364 VanDerWaalsContact O-C 3.24Å; Y1360-C1364 VanDerWaalsContact O-CA 3.29Å; Y1360-C1364 WeakPolarHBondContact O-CA 3.49Å; G1361-C1364 PolarHBondContact O-N 3.1Å; C1364-L1366 VanDerWaalsContact C-N 3.34Å; C1364-L1366 PolarHBondContact O-N 2.78Å
1365Q82.1Confident79.7Confident82 Ų8259.6 Ų59.638%0.38331%0.306SS..  trans-850.9-168.676.5-76.2-0.700115.1K1341 Y1360 R1363K1341-Q1365 HydrophobicContact CD-CB 4.14Å; Y1360-Q1365 PolarHBondContact O-N 3.06Å; R1363-Q1365 VanDerWaalsContact C-OE1 3.28Å; R1363-Q1365 VanDerWaalsContact CA-OE1 3.31Å; R1363-Q1365 PolarHBondContact O-N 2.89Å; R1363-Q1365 VanDerWaalsContact O-N 3.16Å
1366L78.3Confident79.3Confident70 Ų7062.4 Ų62.437%0.36632%0.319SS..EExtended strand (participates in β ladder)trans-122.9142.1-176.2-54.7174.8000110.2Y1359 Y1360 C1364Y1359-L1366 CarbonylContact C-O 3.55Å; Y1359-L1366 WeakPolarHBondContact CA-O 3.43Å; Y1360-L1366 HydrophobicContact CD1-CB 3.64Å; Y1360-L1366 HydrophobicContact CE1-CB 3.41Å; Y1360-L1366 VanDerWaalsContact CE1-CB 3.41Å; Y1360-L1366 HydrophobicContact CE1-CD1 3.91Å; Y1360-L1366 HydrophobicContact CE1-CG 4.3Å; Y1360-L1366 HydrophobicContact CE2-CD1 3.87Å; Y1360-L1366 HydrophobicContact CG-CB 4.39Å; Y1360-L1366 PolarHBondContact N-O 3.06Å; Y1360-L1366 PolarHBondContact O-N 3.42Å; Y1360-L1366 VanDerWaalsContact O-N 3.13Å; C1364-L1366 VanDerWaalsContact C-N 3.34Å; C1364-L1366 PolarHBondContact O-N 2.78Å
1367N81.7Confident79.4Confident86 Ų8659.4 Ų59.446%0.4631%0.307SS..EExtended strand (participates in β ladder)trans-70.1156.6169-80.255.7000111.3G1358 Y1360 E1391G1358-N1367 CarbonylContact O-C 3.57Å; G1358-N1367 VanDerWaalsContact O-CA 3.32Å; G1358-N1367 WeakPolarHBondContact O-CA 3.03Å; Y1360-N1367 WeakPolarHBondContact CD1-O 2.98Å; Y1360-N1367 WeakPolarHBondContact CE1-O 3.27Å; N1367-E1391 WeakPolarHBondContact CB-OE2 3.24Å; N1367-E1391 PolarHBondContact ND2-OE2 3.11Å
1368C79.6Confident79.2Confident9 Ų965.4 Ų65.46%0.06133%0.326CS..PPolyproline II helixtrans-56.9135.5177.7-69.10000112.1G1358 F1372 C1377 E1391G1358-C1368 WeakPolarHBondContact CA-SG 3.47Å; G1358-C1368 PolarHBondContact O-N 2.66Å; C1368-F1372 WeakPolarHBondContact CB-O 3.38Å; C1368-C1377 WeakPolarHBondContact CA-SG 3.4Å; C1368-C1377 HydrophobicContact CB-CB 3.87Å; C1368-C1377 WeakPolarHBondContact CB-SG 3.49Å; C1368-C1377 WeakPolarHBondContact SG-CB 3.49Å; C1368-C1377 CovalentContact SG-SG 2.03Å; C1368-C1377 PolarHBondContact SG-SG 3.41Å; C1368-E1391 HydrophobicContact CB-CB 4.39Å; C1368-E1391 HydrophobicContact CB-CG 4.5Å
1369P77.5Confident78.9Confident45 Ų4569.9 Ų69.929%0.29235%0.347SS..PPolyproline II helixtrans-68.6151.1175.229.7-33000110.4Y1360 G1371 F1372Y1360-P1369 HydrophobicContact CE1-CG 4.49Å; P1369-G1371 PolarHBondContact O-N 2.76Å; P1369-F1372 HydrophobicContact CG-CB 4.36Å; P1369-F1372 HydrophobicContact CG-CD2 3.93Å; P1369-F1372 HydrophobicContact CG-CG 4.41Å; P1369-F1372 PolarHBondContact O-N 2.93Å; P1369-F1372 VanDerWaalsContact O-N 3.1Å
1370P73.3Confident78.5Confident116 Ų11672.8 Ų72.875%0.75336%0.361SS*.THydrogen-bonded Turntrans-49.9134.5175.6-28.235.5000112.1A1388P1370-A1388 HydrophobicContact CB-CB 4.49Å
1371G71.5Confident78Confident19 Ų1969.4 Ų69.420%0.19635%0.35CS..THydrogen-bonded Turntrans93.7-2.5-174.100000115.2P1369 K1380 C1381P1369-G1371 PolarHBondContact O-N 2.76Å; G1371-K1380 WeakPolarHBondContact O-CA 3.02Å; G1371-C1381 WeakPolarHBondContact CA-SG 3.41Å; G1371-C1381 PolarHBondContact O-N 3.47Å; G1371-C1381 PolarHBondContact O-SG 2.03Å
1372F81.7Confident77.9Confident69 Ų6970 Ų7030%0.30336%0.356SS..EExtended strand (participates in β ladder)trans-133.8147.4-179.9-63.8-94.3000113.3C1368 P1369 C1377 Q1379C1368-F1372 WeakPolarHBondContact CB-O 3.38Å; P1369-F1372 HydrophobicContact CG-CB 4.36Å; P1369-F1372 HydrophobicContact CG-CD2 3.93Å; P1369-F1372 HydrophobicContact CG-CG 4.41Å; P1369-F1372 PolarHBondContact O-N 2.93Å; P1369-F1372 VanDerWaalsContact O-N 3.1Å; F1372-C1377 HydrophobicContact CB-CB 4.15Å; F1372-C1377 WeakPolarHBondContact CD1-O 3.4Å; F1372-Q1379 CarbonylContact C-O 3.55Å; F1372-Q1379 WeakPolarHBondContact CA-O 3.4Å
1373Y85.3Confident78Confident51 Ų5162.7 Ų62.720%0.232%0.323CS..EExtended strand (participates in β ladder)trans-146.5176.7178.775.9-80.8000112.7C1377 Q1379 K1380 N1390 E1391 G1394Y1373-C1377 CarbonylContact O-C 3.58Å; Y1373-C1377 WeakPolarHBondContact O-CA 3.45Å; Y1373-Q1379 HydrophobicContact CD1-CB 3.87Å; Y1373-Q1379 VanDerWaalsContact CD1-O 3.22Å; Y1373-Q1379 WeakPolarHBondContact CD1-O 3.23Å; Y1373-Q1379 HydrophobicContact CD2-CB 4.21Å; Y1373-Q1379 HydrophobicContact CE1-CB 3.62Å; Y1373-Q1379 HydrophobicContact CE2-CB 3.98Å; Y1373-Q1379 HydrophobicContact CG-CB 4.16Å; Y1373-Q1379 PolarHBondContact N-O 3.46Å; Y1373-Q1379 WeakPolarHBondContact O-CB 3.14Å; Y1373-Q1379 PolarHBondContact O-N 2.66Å; Y1373-Q1379 VanDerWaalsContact O-N 3.09Å; Y1373-Q1379 PolarHBondContact OH-OE1 2.76Å; Y1373-K1380 WeakPolarHBondContact CE1-O 3.42Å; Y1373-N1390 WeakPolarHBondContact CB-O 2.97Å; Y1373-E1391 WeakPolarHBondContact CA-O 3.43Å; Y1373-E1391 WeakPolarHBondContact CB-O 3.44Å; Y1373-G1394 VanDerWaalsContact CD2-N 3.32Å; Y1373-G1394 VanDerWaalsContact CG-CA 3.45Å
1374G77.5Confident77.2Confident5 Ų560.9 Ų60.95%0.05232%0.323CS..SBendtrans78.2-169.4171.800000114.5A1357 G1358 Q1376 C1377 E1391A1357-G1374 WeakPolarHBondContact CA-O 3.46Å; G1358-G1374 PolarHBondContact N-O 3.4Å; G1374-Q1376 PolarHBondContact O-N 2.6Å; G1374-C1377 PolarHBondContact O-N 3.06Å; G1374-E1391 PolarHBondContact N-O 2.84Å
1375L79.3Confident75.8Confident108 Ų10864.5 Ų64.557%0.56534%0.339SS*.G310 helixtrans-57.5127.5-176.7-82.7159.9000111.8C1355 C1377 K1378C1355-L1375 WeakPolarHBondContact O-CD2 3.19Å; L1375-C1377 PolarHBondContact O-N 2.76Å; L1375-K1378 WeakPolarHBondContact O-CB 3.23Å; L1375-K1378 PolarHBondContact O-N 3.42Å; L1375-K1378 VanDerWaalsContact O-N 3.1Å
1376Q73.1Confident74.5Confident63 Ų6364 Ų6429%0.29436%0.356SS..G310 helixtrans5023.6-173.1-58.5-179.2-61.100114.3C1355 G1374 K1378C1355-Q1376 HydrophobicContact CB-CG 4.2Å; C1355-Q1376 PolarHBondContact O-N 3.1Å; G1374-Q1376 PolarHBondContact O-N 2.6Å; Q1376-K1378 HydrophobicContact CB-CD 4.2Å; Q1376-K1378 HydrophobicContact CB-CG 4.17Å; Q1376-K1378 PolarHBondContact O-N 3.02Å
1377C81.2Confident73.6Confident11 Ų1161.3 Ų61.37%0.07434%0.342CS..G310 helixtrans54.729.9-174.3-47.90000114.2Y1359 C1368 F1372 Y1373 G1374 L1375 Q1379Y1359-C1377 VanDerWaalsContact C-SG 3.52Å; Y1359-C1377 PolarHBondContact O-SG 2.7Å; C1368-C1377 WeakPolarHBondContact CA-SG 3.4Å; C1368-C1377 HydrophobicContact CB-CB 3.87Å; C1368-C1377 WeakPolarHBondContact CB-SG 3.49Å; C1368-C1377 WeakPolarHBondContact SG-CB 3.49Å; C1368-C1377 CovalentContact SG-SG 2.03Å; C1368-C1377 PolarHBondContact SG-SG 3.41Å; F1372-C1377 HydrophobicContact CB-CB 4.15Å; F1372-C1377 WeakPolarHBondContact CD1-O 3.4Å; Y1373-C1377 CarbonylContact O-C 3.58Å; Y1373-C1377 WeakPolarHBondContact O-CA 3.45Å; G1374-C1377 PolarHBondContact O-N 3.06Å; L1375-C1377 PolarHBondContact O-N 2.76Å; C1377-Q1379 VanDerWaalsContact C-N 3.34Å; C1377-Q1379 PolarHBondContact O-N 2.03Å
1378K77.6Confident72.7Confident157 Ų15760 Ų6068%0.68334%0.342SS*.  trans-78-10.2-175.9-77.4174.4168.2169.10114.9L1375 Q1376L1375-K1378 WeakPolarHBondContact O-CB 3.23Å; L1375-K1378 PolarHBondContact O-N 3.42Å; L1375-K1378 VanDerWaalsContact O-N 3.1Å; Q1376-K1378 HydrophobicContact CB-CD 4.2Å; Q1376-K1378 HydrophobicContact CB-CG 4.17Å; Q1376-K1378 PolarHBondContact O-N 3.02Å
1379Q76.1Confident72.5Confident96 Ų9660.1 Ų60.145%0.44934%0.343SS..EExtended strand (participates in β ladder)trans-101.3121.7-177.5-55.2-17511.800109.2F1372 Y1373 C1377F1372-Q1379 CarbonylContact C-O 3.55Å; F1372-Q1379 WeakPolarHBondContact CA-O 3.4Å; Y1373-Q1379 HydrophobicContact CD1-CB 3.87Å; Y1373-Q1379 VanDerWaalsContact CD1-O 3.22Å; Y1373-Q1379 WeakPolarHBondContact CD1-O 3.23Å; Y1373-Q1379 HydrophobicContact CD2-CB 4.21Å; Y1373-Q1379 HydrophobicContact CE1-CB 3.62Å; Y1373-Q1379 HydrophobicContact CE2-CB 3.98Å; Y1373-Q1379 HydrophobicContact CG-CB 4.16Å; Y1373-Q1379 PolarHBondContact N-O 3.46Å; Y1373-Q1379 WeakPolarHBondContact O-CB 3.14Å; Y1373-Q1379 PolarHBondContact O-N 2.66Å; Y1373-Q1379 VanDerWaalsContact O-N 3.09Å; Y1373-Q1379 PolarHBondContact OH-OE1 2.76Å; C1377-Q1379 VanDerWaalsContact C-N 3.34Å; C1377-Q1379 PolarHBondContact O-N 2.03Å
1380K74.5Confident72.4Confident121 Ų12160 Ų6053%0.52634%0.341SS..EExtended strand (participates in β ladder)trans-78.3138.8177-170.7171.1179.5174.60109.8N400 G1371 Y1373 G1382N400-K1380 PolarHBondContact OD1-NZ 3.15Å; G1371-K1380 WeakPolarHBondContact O-CA 3.02Å; Y1373-K1380 WeakPolarHBondContact CE1-O 3.42Å; K1380-G1382 PolarHBondContact O-N 3.44Å
1381C75.2Confident72.3Confident19 Ų1958.3 Ų58.313%0.12832%0.323CS..PPolyproline II helixtrans-53.9132.6177.6-67.90000111G1371 C1383 C1389G1371-C1381 WeakPolarHBondContact CA-SG 3.41Å; G1371-C1381 PolarHBondContact O-N 3.47Å; G1371-C1381 PolarHBondContact O-SG 2.03Å; C1381-C1383 PolarHBondContact O-N 3.32Å; C1381-C1389 WeakPolarHBondContact CA-SG 3.03Å; C1381-C1389 HydrophobicContact CB-CB 3.68Å; C1381-C1389 WeakPolarHBondContact CB-SG 3.39Å; C1381-C1389 WeakPolarHBondContact SG-CB 3.34Å; C1381-C1389 PolarHBondContact SG-N 3.35Å; C1381-C1389 CovalentContact SG-SG 2.03Å; C1381-C1389 PolarHBondContact SG-SG 3.29Å
1382G69.9Low72.6Confident38 Ų3862.3 Ų62.339%0.39234%0.338SS..  trans-84.914.5-175.900000115K1380 K1406K1380-G1382 PolarHBondContact O-N 3.44Å; G1382-K1406 WeakPolarHBondContact O-CB 3.37Å; G1382-K1406 WeakPolarHBondContact O-CD 3.5Å; G1382-K1406 VanDerWaalsContact O-CG 3.27Å; G1382-K1406 WeakPolarHBondContact O-CG 3.48Å
1383C76.7Confident72.5Confident12 Ų1263 Ų638%0.08135%0.349CS..  trans-87.7128.3-170.6-38.30000110.1C1381 H1385 G1386 E1387 C1396C1381-C1383 PolarHBondContact O-N 3.32Å; C1383-H1385 VanDerWaalsContact C-N 3.35Å; C1383-H1385 PolarHBondContact O-N 3.11Å; C1383-G1386 PolarHBondContact O-N 3.48Å; C1383-E1387 HydrophobicContact CB-CB 4.26Å; C1383-C1396 WeakPolarHBondContact CA-SG 3.42Å; C1383-C1396 HydrophobicContact CB-CB 3.89Å; C1383-C1396 WeakPolarHBondContact CB-SG 3.49Å; C1383-C1396 VanDerWaalsContact SG-CA 3.56Å; C1383-C1396 WeakPolarHBondContact SG-CB 3.46Å; C1383-C1396 CovalentContact SG-SG 2.03Å; C1383-C1396 PolarHBondContact SG-SG 2.93Å
1384I64.5Low71.9Confident102 Ų10261.2 Ų61.252%0.52335%0.345SS..THydrogen-bonded Turntrans-68.2-35.7-169.5-70.6160.1000111.7G1386 K1406 E1408I1384-G1386 VanDerWaalsContact C-N 3.3Å; I1384-G1386 PolarHBondContact O-N 2.83Å; I1384-K1406 HydrophobicContact CD1-CB 4.03Å; I1384-K1406 HydrophobicContact CG1-CB 4.23Å; I1384-K1406 PolarHBondContact N-O 2.79Å; I1384-E1408 HydrophobicContact CD1-CB 3.47Å; I1384-E1408 VanDerWaalsContact CD1-CB 3.47Å
1385H56.1Low71.9Confident75 Ų7566.9 Ų66.935%0.34737%0.37SS..THydrogen-bonded Turntrans-91.824-176-56.3110.7000113.9C1383 E1387 Y1402 C1407C1383-H1385 VanDerWaalsContact C-N 3.35Å; C1383-H1385 PolarHBondContact O-N 3.11Å; H1385-E1387 VanDerWaalsContact C-N 3.28Å; H1385-E1387 HydrophobicContact CB-CG 4.44Å; H1385-E1387 PolarHBondContact O-N 2.89Å; H1385-Y1402 HydrophobicContact CB-CD2 4.37Å; H1385-Y1402 HydrophobicContact CB-CE2 4.21Å; H1385-Y1402 AromaticContact CD2-CE1 3.94Å; H1385-Y1402 AromaticContact CD2-CZ 3.75Å; H1385-Y1402 AromaticContact CE1-CD1 3.26Å; H1385-Y1402 WeakPolarHBondContact CE1-CD1 3.4Å; H1385-Y1402 AromaticContact CE1-CE1 3.29Å; H1385-Y1402 WeakPolarHBondContact CE1-CE1 3.44Å; H1385-Y1402 AromaticContact CE1-CG 3.79Å; H1385-Y1402 AromaticContact CE1-CZ 3.85Å; H1385-Y1402 AromaticContact CG-CD2 3.97Å; H1385-Y1402 AromaticContact CG-CE2 3.78Å; H1385-Y1402 AromaticContact CG-CZ 3.84Å; H1385-Y1402 AromaticContact ND1-CD1 3.49Å; H1385-Y1402 WeakPolarHBondContact ND1-CD1 3.39Å; H1385-Y1402 AromaticContact ND1-CD2 3.7Å; H1385-Y1402 AromaticContact ND1-CE1 3.69Å; H1385-Y1402 AromaticContact ND1-CE2 3.9Å; H1385-Y1402 AromaticContact ND1-CG 3.49Å; H1385-Y1402 AromaticContact ND1-CZ 3.9Å; H1385-Y1402 AromaticContact NE2-CD1 3.95Å; H1385-Y1402 AromaticContact NE2-CE1 3.47Å; H1385-Y1402 WeakPolarHBondContact NE2-CE1 3.01Å; H1385-Y1402 AromaticContact NE2-CZ 3.78Å; H1385-C1407 PolarHBondContact CE1-O 2.03Å; H1385-C1407 PolarHBondContact ND1-O 3.4Å; H1385-C1407 VanDerWaalsContact ND1-O 3.12Å
1386G54.4Low71.6Confident71 Ų7162.5 Ų62.573%0.73235%0.349SS*.  trans74.410.4171.100000116C1383 I1384C1383-G1386 PolarHBondContact O-N 3.48Å; I1384-G1386 VanDerWaalsContact C-N 3.3Å; I1384-G1386 PolarHBondContact O-N 2.83Å
1387E59.4Low71.7Confident15 Ų1565.5 Ų65.57%0.0736%0.358CS..  trans-71153.8-169.4-64.4157.1154.500114C1383 H1385 C1389 S1399 C1407C1383-E1387 HydrophobicContact CB-CB 4.26Å; H1385-E1387 VanDerWaalsContact C-N 3.28Å; H1385-E1387 HydrophobicContact CB-CG 4.44Å; H1385-E1387 PolarHBondContact O-N 2.89Å; E1387-C1389 PolarHBondContact O-N 3.37Å; E1387-S1399 WeakPolarHBondContact CG-OG 3.29Å; E1387-S1399 WeakPolarHBondContact OE1-CA 3.02Å; E1387-S1399 WeakPolarHBondContact OE1-CB 3.21Å; E1387-S1399 PolarHBondContact OE1-N 3.28Å; E1387-S1399 PolarHBondContact OE1-OG 2.79Å; E1387-C1407 PolarHBondContact OE2-SG 2.84Å
1388A62.8Low71.1Confident57 Ų5765.4 Ų65.447%0.47136%0.358SS..  trans-67.6115.8170.600000110.3P1370P1370-A1388 HydrophobicContact CB-CB 4.49Å
1389C74.6Confident70.6Confident12 Ų1260.7 Ų60.78%0.08134%0.344CS..BIsolated β-bridgetrans-87.8165.9168.4720000111.7C1381 E1387 E1391 E1395C1381-C1389 WeakPolarHBondContact CA-SG 3.03Å; C1381-C1389 HydrophobicContact CB-CB 3.68Å; C1381-C1389 WeakPolarHBondContact CB-SG 3.39Å; C1381-C1389 WeakPolarHBondContact SG-CB 3.34Å; C1381-C1389 PolarHBondContact SG-N 3.35Å; C1381-C1389 CovalentContact SG-SG 2.03Å; C1381-C1389 PolarHBondContact SG-SG 3.29Å; E1387-C1389 PolarHBondContact O-N 3.37Å; C1389-E1391 PolarHBondContact O-N 3.1Å; C1389-E1395 CarbonylContact C-O 3.58Å; C1389-E1395 WeakPolarHBondContact CA-O 3.41Å; C1389-E1395 VanDerWaalsContact CB-O 3.29Å; C1389-E1395 WeakPolarHBondContact CB-O 3.34Å
1390N76.8Confident70.3Confident44 Ų4457.3 Ų57.324%0.23533%0.333CS..  trans-58.6123.9176.7-174.3-70.8000112.2Y1373 I1392 T1393 G1394 E1395 Y1397Y1373-N1390 WeakPolarHBondContact CB-O 2.97Å; N1390-I1392 PolarHBondContact O-N 3.3Å; N1390-I1392 PolarHBondContact OD1-N 2.81Å; N1390-T1393 VanDerWaalsContact CB-OG1 3.25Å; N1390-T1393 WeakPolarHBondContact CB-OG1 3.42Å; N1390-T1393 VanDerWaalsContact CG-OG1 3.23Å; N1390-T1393 PolarHBondContact O-N 2.96Å; N1390-T1393 PolarHBondContact OD1-N 3.27Å; N1390-T1393 PolarHBondContact OD1-OG1 3.24Å; N1390-G1394 PolarHBondContact O-N 2.88Å; N1390-E1395 HydrophobicContact CB-CB 4.25Å; N1390-E1395 PolarHBondContact N-O 2.92Å; N1390-Y1397 HydrophobicContact CB-CE2 4.09Å; N1390-Y1397 PolarHBondContact ND2-OH 2.04Å; N1390-Y1397 VanDerWaalsContact ND2-OH 3.1Å
1391E70.4Confident70Confident80 Ų8051.6 Ų51.637%0.37431%0.308SS..THydrogen-bonded Turntrans-52.4-27-175.9-62.7172.6-136.500114.6G1358 N1367 C1368 Y1373 G1374 C1389G1358-E1391 WeakPolarHBondContact CA-O 3.46Å; N1367-E1391 WeakPolarHBondContact CB-OE2 3.24Å; N1367-E1391 PolarHBondContact ND2-OE2 3.11Å; C1368-E1391 HydrophobicContact CB-CB 4.39Å; C1368-E1391 HydrophobicContact CB-CG 4.5Å; Y1373-E1391 WeakPolarHBondContact CA-O 3.43Å; Y1373-E1391 WeakPolarHBondContact CB-O 3.44Å; G1374-E1391 PolarHBondContact N-O 2.84Å; C1389-E1391 PolarHBondContact O-N 3.1Å
1392I78Confident70Confident102 Ų10252.5 Ų52.552%0.52331%0.309SS..THydrogen-bonded Turntrans-102.6-46.7-178.4-58.2176.5000111.3A1357 N1390A1357-I1392 HydrophobicContact CB-CG2 4.29Å; N1390-I1392 PolarHBondContact O-N 3.3Å; N1390-I1392 PolarHBondContact OD1-N 2.81Å
1393T78.9Confident70.4Confident85 Ų8553.5 Ų53.552%0.52130%0.304SS..THydrogen-bonded Turntrans-99.6-17.4-168670000115.5N1390 E1395N1390-T1393 VanDerWaalsContact CB-OG1 3.25Å; N1390-T1393 WeakPolarHBondContact CB-OG1 3.42Å; N1390-T1393 VanDerWaalsContact CG-OG1 3.23Å; N1390-T1393 PolarHBondContact O-N 2.96Å; N1390-T1393 PolarHBondContact OD1-N 3.27Å; N1390-T1393 PolarHBondContact OD1-OG1 3.24Å; T1393-E1395 VanDerWaalsContact C-N 3.28Å; T1393-E1395 PolarHBondContact O-N 2.93Å
1394G73.2Confident70.2Confident12 Ų1254.3 Ų54.312%0.12431%0.314CS..  trans76.78.2-176.700000115.4Y1373 N1390Y1373-G1394 VanDerWaalsContact CD2-N 3.32Å; Y1373-G1394 VanDerWaalsContact CG-CA 3.45Å; N1390-G1394 PolarHBondContact O-N 2.88Å
1395E76.5Confident70.5Confident124 Ų12458.5 Ų58.558%0.57933%0.329SS*.  trans-69.3131.4179.1-173.9168.9-15700111.8C1389 N1390 T1393C1389-E1395 CarbonylContact C-O 3.58Å; C1389-E1395 WeakPolarHBondContact CA-O 3.41Å; C1389-E1395 VanDerWaalsContact CB-O 3.29Å; C1389-E1395 WeakPolarHBondContact CB-O 3.34Å; N1390-E1395 HydrophobicContact CB-CB 4.25Å; N1390-E1395 PolarHBondContact N-O 2.92Å; T1393-E1395 VanDerWaalsContact C-N 3.28Å; T1393-E1395 PolarHBondContact O-N 2.93Å
1396C74.2Confident71.3Confident17 Ų1760.7 Ų60.712%0.11534%0.337CS..BIsolated β-bridgetrans-83.9134.7-175.8-630000112.6C1383C1383-C1396 WeakPolarHBondContact CA-SG 3.42Å; C1383-C1396 HydrophobicContact CB-CB 3.89Å; C1383-C1396 WeakPolarHBondContact CB-SG 3.49Å; C1383-C1396 VanDerWaalsContact SG-CA 3.56Å; C1383-C1396 WeakPolarHBondContact SG-CB 3.46Å; C1383-C1396 CovalentContact SG-SG 2.03Å; C1383-C1396 PolarHBondContact SG-SG 2.93Å
1397Y74.9Confident72.2Confident126 Ų12657.3 Ų57.349%0.49430%0.302SS..  trans-102.387.5173.7-62.1-64.7000110.2N1390 S1399N1390-Y1397 HydrophobicContact CB-CE2 4.09Å; N1390-Y1397 PolarHBondContact ND2-OH 2.04Å; N1390-Y1397 VanDerWaalsContact ND2-OH 3.1Å; Y1397-S1399 PolarHBondContact O-N 2.82Å
1398C69.5Low72.7Confident9 Ų961 Ų616%0.06132%0.32CS..  trans-58.9125.1-174.6-51.10000112.8Y1402 C1407 Q1419C1398-Y1402 VanDerWaalsContact CB-O 3.3Å; C1398-Y1402 WeakPolarHBondContact CB-O 3.33Å; C1398-C1407 WeakPolarHBondContact CA-SG 3.35Å; C1398-C1407 HydrophobicContact CB-CB 3.78Å; C1398-C1407 WeakPolarHBondContact CB-SG 3.48Å; C1398-C1407 VanDerWaalsContact SG-CA 3.51Å; C1398-C1407 WeakPolarHBondContact SG-CB 3.47Å; C1398-C1407 CovalentContact SG-SG 2.03Å; C1398-C1407 PolarHBondContact SG-SG 3.41Å; C1398-Q1419 HydrophobicContact CB-CG 4.41Å
1399S66.1Low73Confident57 Ų5763 Ų6340%0.39932%0.319SS..  trans-63.7175175-53.30000111.1E1387 Y1397 G1401 Y1402E1387-S1399 WeakPolarHBondContact CG-OG 3.29Å; E1387-S1399 WeakPolarHBondContact OE1-CA 3.02Å; E1387-S1399 WeakPolarHBondContact OE1-CB 3.21Å; E1387-S1399 PolarHBondContact OE1-N 3.28Å; E1387-S1399 PolarHBondContact OE1-OG 2.79Å; Y1397-S1399 PolarHBondContact O-N 2.82Å; S1399-G1401 PolarHBondContact O-N 2.87Å; S1399-Y1402 PolarHBondContact O-N 3.06Å
1400A70Confident72.7Confident26 Ų2667.1 Ų67.122%0.21534%0.344CS..BIsolated β-bridgetrans-59.9135.5173.900000111.4G1417 Q1486A1400-G1417 VanDerWaalsContact CA-C 3.42Å; A1400-G1417 WeakPolarHBondContact CA-O 3.03Å; A1400-Q1486 HydrophobicContact CB-CB 4.01Å; A1400-Q1486 VanDerWaalsContact CB-O 3.22Å; A1400-Q1486 WeakPolarHBondContact CB-O 3.09Å; A1400-Q1486 VanDerWaalsContact O-CG 3.25Å; A1400-Q1486 WeakPolarHBondContact O-CG 3.08Å
1401G68.3Low72.4Confident1 Ų165.8 Ų65.81%0.0134%0.338CS..THydrogen-bonded Turntrans96.6-10.7-177.500000116.1S1399 T1410 C1411 G1417 P1485S1399-G1401 PolarHBondContact O-N 2.87Å; G1401-T1410 WeakPolarHBondContact O-CA 3Å; G1401-C1411 WeakPolarHBondContact CA-SG 3.49Å; G1401-C1411 PolarHBondContact O-N 2.98Å; G1401-C1411 PolarHBondContact O-SG 3.19Å; G1401-G1417 PolarHBondContact N-O 2.87Å; G1401-G1417 VanDerWaalsContact N-O 3.16Å; G1401-P1485 VanDerWaalsContact CA-O 3.23Å; G1401-P1485 WeakPolarHBondContact CA-O 3.41Å; G1401-P1485 PolarHBondContact N-O 3.12Å
1402Y75.7Confident72.3Confident38 Ų3867.8 Ų67.815%0.14935%0.35CS..EExtended strand (participates in β ladder)trans-130.3151.1-173.6-53.4-68.7000114.6H1385 C1398 S1399 Q1409 T1410 Q1419H1385-Y1402 HydrophobicContact CB-CD2 4.37Å; H1385-Y1402 HydrophobicContact CB-CE2 4.21Å; H1385-Y1402 AromaticContact CD2-CE1 3.94Å; H1385-Y1402 AromaticContact CD2-CZ 3.75Å; H1385-Y1402 AromaticContact CE1-CD1 3.26Å; H1385-Y1402 WeakPolarHBondContact CE1-CD1 3.4Å; H1385-Y1402 AromaticContact CE1-CE1 3.29Å; H1385-Y1402 WeakPolarHBondContact CE1-CE1 3.44Å; H1385-Y1402 AromaticContact CE1-CG 3.79Å; H1385-Y1402 AromaticContact CE1-CZ 3.85Å; H1385-Y1402 AromaticContact CG-CD2 3.97Å; H1385-Y1402 AromaticContact CG-CE2 3.78Å; H1385-Y1402 AromaticContact CG-CZ 3.84Å; H1385-Y1402 AromaticContact ND1-CD1 3.49Å; H1385-Y1402 WeakPolarHBondContact ND1-CD1 3.39Å; H1385-Y1402 AromaticContact ND1-CD2 3.7Å; H1385-Y1402 AromaticContact ND1-CE1 3.69Å; H1385-Y1402 AromaticContact ND1-CE2 3.9Å; H1385-Y1402 AromaticContact ND1-CG 3.49Å; H1385-Y1402 AromaticContact ND1-CZ 3.9Å; H1385-Y1402 AromaticContact NE2-CD1 3.95Å; H1385-Y1402 AromaticContact NE2-CE1 3.47Å; H1385-Y1402 WeakPolarHBondContact NE2-CE1 3.01Å; H1385-Y1402 AromaticContact NE2-CZ 3.78Å; C1398-Y1402 VanDerWaalsContact CB-O 3.3Å; C1398-Y1402 WeakPolarHBondContact CB-O 3.33Å; S1399-Y1402 PolarHBondContact O-N 3.06Å; Y1402-Q1409 CarbonylContact C-O 3.24Å; Y1402-Q1409 WeakPolarHBondContact CA-O 3.46Å; Y1402-T1410 HydrophobicContact CD1-CG2 4.16Å; Y1402-T1410 HydrophobicContact CE1-CG2 3.98Å; Y1402-Q1419 WeakPolarHBondContact O-CA 3.44Å; Y1402-Q1419 PolarHBondContact O-N 2.97Å
1403H77.8Confident71.5Confident58 Ų5868.2 Ų68.227%0.26936%0.36SS..EExtended strand (participates in β ladder)trans-147.6175.5170.372.2-59.6000110.7C1407 E1408 Q1409 T1410H1403-C1407 CarbonylContact O-C 3.59Å; H1403-C1407 VanDerWaalsContact O-CA 3.26Å; H1403-C1407 WeakPolarHBondContact O-CA 3.03Å; H1403-E1408 PolarHBondContact O-N 3.47Å; H1403-Q1409 WeakPolarHBondContact CE1-CB 3.01Å; H1403-Q1409 PolarHBondContact N-O 3.43Å; H1403-Q1409 WeakPolarHBondContact ND1-CB 3.36Å; H1403-Q1409 PolarHBondContact ND1-O 2.03Å; H1403-Q1409 WeakPolarHBondContact O-CA 3.37Å; H1403-Q1409 WeakPolarHBondContact O-CB 3.37Å; H1403-Q1409 PolarHBondContact O-N 3.5Å; H1403-T1410 PolarHBondContact CE1-O 2.87Å; H1403-T1410 PolarHBondContact ND1-O 2.85Å
1404G72.4Confident71Confident29 Ų2965.4 Ų65.430%0.29935%0.348SS..SBendtrans111.4176.5-173.100000113E1408G1404-E1408 WeakPolarHBondContact CA-OE2 3.31Å
1405K70.6Confident71.2Confident191 Ų19166.6 Ų66.683%0.8335%0.353SS*.SBendtrans-79.7-22.3-176.7-73.7-173.6174.9-177.80114.7E1408K1405-E1408 VanDerWaalsContact N-CD 3.34Å; K1405-E1408 PolarHBondContact N-OE1 3.21Å; K1405-E1408 PolarHBondContact N-OE2 2.9Å
1406K72.6Confident71.3Confident121 Ų12163.5 Ų63.553%0.52634%0.336SS..SBendtrans-119.812.7172.6-63.7-175171.5-171.80110.8G1382 I1384 E1408G1382-K1406 WeakPolarHBondContact O-CB 3.37Å; G1382-K1406 WeakPolarHBondContact O-CD 3.5Å; G1382-K1406 VanDerWaalsContact O-CG 3.27Å; G1382-K1406 WeakPolarHBondContact O-CG 3.48Å; I1384-K1406 HydrophobicContact CD1-CB 4.03Å; I1384-K1406 HydrophobicContact CG1-CB 4.23Å; I1384-K1406 PolarHBondContact N-O 2.79Å; K1406-E1408 VanDerWaalsContact C-N 3.28Å; K1406-E1408 WeakPolarHBondContact CA-OE2 3.01Å; K1406-E1408 PolarHBondContact N-OE2 3.16Å
1407C74Confident71Confident0 Ų062.8 Ų62.80%033%0.332CS..SBendtrans61.435.1-170.2-47.50000112.8H1385 E1387 C1398 H1403 Q1409H1385-C1407 PolarHBondContact CE1-O 2.03Å; H1385-C1407 PolarHBondContact ND1-O 3.4Å; H1385-C1407 VanDerWaalsContact ND1-O 3.12Å; E1387-C1407 PolarHBondContact OE2-SG 2.84Å; C1398-C1407 WeakPolarHBondContact CA-SG 3.35Å; C1398-C1407 HydrophobicContact CB-CB 3.78Å; C1398-C1407 WeakPolarHBondContact CB-SG 3.48Å; C1398-C1407 VanDerWaalsContact SG-CA 3.51Å; C1398-C1407 WeakPolarHBondContact SG-CB 3.47Å; C1398-C1407 CovalentContact SG-SG 2.03Å; C1398-C1407 PolarHBondContact SG-SG 3.41Å; H1403-C1407 CarbonylContact O-C 3.59Å; H1403-C1407 VanDerWaalsContact O-CA 3.26Å; H1403-C1407 WeakPolarHBondContact O-CA 3.03Å; C1407-Q1409 VanDerWaalsContact C-N 3.28Å; C1407-Q1409 PolarHBondContact O-N 2.83Å
1408E70.5Confident70.7Confident93 Ų9360.1 Ų60.144%0.43533%0.329SS..  trans-76.42.4-174.771.3-79.3-166.200115.8I1384 H1403 G1404 K1405 K1406I1384-E1408 HydrophobicContact CD1-CB 3.47Å; I1384-E1408 VanDerWaalsContact CD1-CB 3.47Å; H1403-E1408 PolarHBondContact O-N 3.47Å; G1404-E1408 WeakPolarHBondContact CA-OE2 3.31Å; K1405-E1408 VanDerWaalsContact N-CD 3.34Å; K1405-E1408 PolarHBondContact N-OE1 3.21Å; K1405-E1408 PolarHBondContact N-OE2 2.9Å; K1406-E1408 VanDerWaalsContact C-N 3.28Å; K1406-E1408 WeakPolarHBondContact CA-OE2 3.01Å; K1406-E1408 PolarHBondContact N-OE2 3.16Å
1409Q68.8Low70.9Confident99 Ų9965.9 Ų65.946%0.46336%0.356SS..EExtended strand (participates in β ladder)trans-131.5123.2-173-46.1-169.6-7600110.6Y1402 H1403 C1407Y1402-Q1409 CarbonylContact C-O 3.24Å; Y1402-Q1409 WeakPolarHBondContact CA-O 3.46Å; H1403-Q1409 WeakPolarHBondContact CE1-CB 3.01Å; H1403-Q1409 PolarHBondContact N-O 3.43Å; H1403-Q1409 WeakPolarHBondContact ND1-CB 3.36Å; H1403-Q1409 PolarHBondContact ND1-O 2.03Å; H1403-Q1409 WeakPolarHBondContact O-CA 3.37Å; H1403-Q1409 WeakPolarHBondContact O-CB 3.37Å; H1403-Q1409 PolarHBondContact O-N 3.5Å; C1407-Q1409 VanDerWaalsContact C-N 3.28Å; C1407-Q1409 PolarHBondContact O-N 2.83Å
1410T66.8Low71.2Confident98 Ų9864.1 Ų64.160%0.60134%0.343SS*.EExtended strand (participates in β ladder)trans-71.5158.8173.245.10000111.8G1401 Y1402 H1403G1401-T1410 WeakPolarHBondContact O-CA 3Å; Y1402-T1410 HydrophobicContact CD1-CG2 4.16Å; Y1402-T1410 HydrophobicContact CE1-CG2 3.98Å; H1403-T1410 PolarHBondContact CE1-O 2.87Å; H1403-T1410 PolarHBondContact ND1-O 2.85Å
1411C71.3Confident71.6Confident15 Ų1566.9 Ų66.910%0.10136%0.361CS..PPolyproline II helixtrans-63.3143.2176.5-62.50000113.1G1401 T1415 C1420 P1485G1401-C1411 WeakPolarHBondContact CA-SG 3.49Å; G1401-C1411 PolarHBondContact O-N 2.98Å; G1401-C1411 PolarHBondContact O-SG 3.19Å; C1411-T1415 WeakPolarHBondContact CB-O 3.36Å; C1411-C1420 WeakPolarHBondContact CA-SG 3.47Å; C1411-C1420 HydrophobicContact CB-CB 3.77Å; C1411-C1420 WeakPolarHBondContact CB-SG 3.45Å; C1411-C1420 WeakPolarHBondContact SG-CA 3.5Å; C1411-C1420 WeakPolarHBondContact SG-CB 3.46Å; C1411-C1420 CovalentContact SG-SG 2.03Å; C1411-C1420 PolarHBondContact SG-SG 2.03Å; C1411-P1485 HydrophobicContact CB-CB 4Å
1412L68.3Low71.6Confident122 Ų12270.2 Ų70.264%0.63938%0.378SS*.PPolyproline II helixtrans-67.3147.4176.5-75.6163.1000110.8G1414 T1415L1412-G1414 PolarHBondContact O-N 2.99Å; L1412-T1415 PolarHBondContact N-OG1 2.02Å; L1412-T1415 PolarHBondContact O-N 3.44Å; L1412-T1415 PolarHBondContact O-OG1 3.5Å
1413P60.6Low71.4Confident112 Ų11275.2 Ų75.273%0.72741%0.406SS*.THydrogen-bonded Turntrans-50.4123.8177.8-29.536000112.6
1414G68.3Low70.7Confident26 Ų2673.6 Ų73.627%0.26840%0.401SS..THydrogen-bonded Turntrans95-0.2-174.200000115.6L1412 I1423 C1424L1412-G1414 PolarHBondContact O-N 2.99Å; G1414-I1423 WeakPolarHBondContact O-CA 3.22Å; G1414-C1424 PolarHBondContact O-N 3.11Å
1415T78.8Confident70.2Confident37 Ų3774.9 Ų74.923%0.22740%0.404CS..EExtended strand (participates in β ladder)trans-120148.8175.759.90000113.2C1411 L1412 L1422C1411-T1415 WeakPolarHBondContact CB-O 3.36Å; L1412-T1415 PolarHBondContact N-OG1 2.02Å; L1412-T1415 PolarHBondContact O-N 3.44Å; L1412-T1415 PolarHBondContact O-OG1 3.5Å; T1415-L1422 CarbonylContact C-O 3.51Å; T1415-L1422 WeakPolarHBondContact CA-O 3.2Å; T1415-L1422 WeakPolarHBondContact CB-O 3.3Å
1416Y77.4Confident69.8Low59 Ų5969.6 Ų69.623%0.23139%0.387CS..EExtended strand (participates in β ladder)trans-146.2177.3179.281.3-87.7000112.3C1420 S1421 L1422 I1423 P1485 G1488Y1416-C1420 CarbonylContact O-C 3.33Å; Y1416-C1420 VanDerWaalsContact O-C 3.27Å; Y1416-C1420 WeakPolarHBondContact O-CA 3.36Å; Y1416-S1421 PolarHBondContact O-N 3.5Å; Y1416-L1422 HydrophobicContact CD1-CB 3.68Å; Y1416-L1422 HydrophobicContact CD2-CB 4.03Å; Y1416-L1422 HydrophobicContact CD2-CD1 3.93Å; Y1416-L1422 HydrophobicContact CE1-CB 3.51Å; Y1416-L1422 HydrophobicContact CE1-CD1 4.49Å; Y1416-L1422 HydrophobicContact CE2-CB 3.87Å; Y1416-L1422 HydrophobicContact CE2-CD1 3.38Å; Y1416-L1422 HydrophobicContact CE2-CG 4.26Å; Y1416-L1422 HydrophobicContact CG-CB 3.94Å; Y1416-L1422 PolarHBondContact N-O 3.24Å; Y1416-L1422 WeakPolarHBondContact O-CA 3.49Å; Y1416-L1422 WeakPolarHBondContact O-CB 3.44Å; Y1416-L1422 PolarHBondContact O-N 2.98Å; Y1416-I1423 WeakPolarHBondContact CE1-O 3Å; Y1416-P1485 CarbonylContact C-O 3.33Å; Y1416-P1485 WeakPolarHBondContact CA-O 3.21Å; Y1416-P1485 VanDerWaalsContact CB-O 3.27Å; Y1416-P1485 WeakPolarHBondContact CB-O 3.31Å; Y1416-G1488 VanDerWaalsContact CD2-N 3.29Å; Y1416-G1488 VanDerWaalsContact CG-CA 3.5Å
1417G68.3Low69Low2 Ų264.1 Ų64.12%0.02136%0.364CS..SBendtrans87.2177.1173.600000113.9A1400 G1401 Q1419 C1420 P1485A1400-G1417 VanDerWaalsContact CA-C 3.42Å; A1400-G1417 WeakPolarHBondContact CA-O 3.03Å; G1401-G1417 PolarHBondContact N-O 2.87Å; G1401-G1417 VanDerWaalsContact N-O 3.16Å; G1417-Q1419 PolarHBondContact O-N 3.44Å; G1417-C1420 WeakPolarHBondContact O-CA 3.34Å; G1417-C1420 PolarHBondContact O-N 3.34Å; G1417-P1485 PolarHBondContact N-O 2.93Å
1418P68.9Low68.2Low69 Ų6967.2 Ų67.245%0.44838%0.378SS..BIsolated β-bridgetrans-63.5133.3-176.826.8-34.5000110.6C1420 S1421P1418-C1420 PolarHBondContact O-N 3.03Å; P1418-S1421 PolarHBondContact O-N 2.92Å; P1418-S1421 PolarHBondContact O-OG 3.4Å
1419Q72.3Confident66.9Low131 Ų13168 Ų6861%0.61239%0.39SS*.THydrogen-bonded Turntrans51.625.3-170.5-57.6-174.7-1500113.8C1398 Y1402 G1417 S1421C1398-Q1419 HydrophobicContact CB-CG 4.41Å; Y1402-Q1419 WeakPolarHBondContact O-CA 3.44Å; Y1402-Q1419 PolarHBondContact O-N 2.97Å; G1417-Q1419 PolarHBondContact O-N 3.44Å; Q1419-S1421 VanDerWaalsContact C-N 3.29Å; Q1419-S1421 PolarHBondContact O-N 2.64Å
1420C73.8Confident65.7Low20 Ų2071.8 Ų71.814%0.13540%0.4CS..THydrogen-bonded Turntrans5931.9179.5-49.50000114.8C1411 Y1416 G1417 P1418 L1422C1411-C1420 WeakPolarHBondContact CA-SG 3.47Å; C1411-C1420 HydrophobicContact CB-CB 3.77Å; C1411-C1420 WeakPolarHBondContact CB-SG 3.45Å; C1411-C1420 WeakPolarHBondContact SG-CA 3.5Å; C1411-C1420 WeakPolarHBondContact SG-CB 3.46Å; C1411-C1420 CovalentContact SG-SG 2.03Å; C1411-C1420 PolarHBondContact SG-SG 2.03Å; Y1416-C1420 CarbonylContact O-C 3.33Å; Y1416-C1420 VanDerWaalsContact O-C 3.27Å; Y1416-C1420 WeakPolarHBondContact O-CA 3.36Å; G1417-C1420 WeakPolarHBondContact O-CA 3.34Å; G1417-C1420 PolarHBondContact O-N 3.34Å; P1418-C1420 PolarHBondContact O-N 3.03Å; C1420-L1422 VanDerWaalsContact C-N 3.32Å; C1420-L1422 PolarHBondContact O-N 3.44Å
1421S77.8Confident64.1Low84 Ų8472.2 Ų72.259%0.58740%0.398SS*.  trans-800.4-170.5780000116.3Y1416 P1418 Q1419Y1416-S1421 PolarHBondContact O-N 3.5Å; P1418-S1421 PolarHBondContact O-N 2.92Å; P1418-S1421 PolarHBondContact O-OG 3.4Å; Q1419-S1421 VanDerWaalsContact C-N 3.29Å; Q1419-S1421 PolarHBondContact O-N 2.64Å
1422L67.9Low62.1Low71 Ų7175 Ų7537%0.37242%0.421SS..EExtended strand (participates in β ladder)trans-121.2159.9-174.7-52.1174.4000110.9T1415 Y1416 C1420T1415-L1422 CarbonylContact C-O 3.51Å; T1415-L1422 WeakPolarHBondContact CA-O 3.2Å; T1415-L1422 WeakPolarHBondContact CB-O 3.3Å; Y1416-L1422 HydrophobicContact CD1-CB 3.68Å; Y1416-L1422 HydrophobicContact CD2-CB 4.03Å; Y1416-L1422 HydrophobicContact CD2-CD1 3.93Å; Y1416-L1422 HydrophobicContact CE1-CB 3.51Å; Y1416-L1422 HydrophobicContact CE1-CD1 4.49Å; Y1416-L1422 HydrophobicContact CE2-CB 3.87Å; Y1416-L1422 HydrophobicContact CE2-CD1 3.38Å; Y1416-L1422 HydrophobicContact CE2-CG 4.26Å; Y1416-L1422 HydrophobicContact CG-CB 3.94Å; Y1416-L1422 PolarHBondContact N-O 3.24Å; Y1416-L1422 WeakPolarHBondContact O-CA 3.49Å; Y1416-L1422 WeakPolarHBondContact O-CB 3.44Å; Y1416-L1422 PolarHBondContact O-N 2.98Å; C1420-L1422 VanDerWaalsContact C-N 3.32Å; C1420-L1422 PolarHBondContact O-N 3.44Å
1423I72.2Confident60.5Low142 Ų14275 Ų7573%0.72842%0.422SS*.EExtended strand (participates in β ladder)trans-117.9131.3-173.2-60.4172000110.2G1414 Y1416G1414-I1423 WeakPolarHBondContact O-CA 3.22Å; Y1416-I1423 WeakPolarHBondContact CE1-O 3Å
1424C63Low59Low25 Ų2574.3 Ų74.317%0.16942%0.42CS..  trans-58.9143.9-175.1-76.60000114.3G1414 C1483G1414-C1424 PolarHBondContact O-N 3.11Å; C1424-C1483 WeakPolarHBondContact CA-SG 3.28Å; C1424-C1483 HydrophobicContact CB-CB 3.7Å; C1424-C1483 WeakPolarHBondContact CB-SG 3Å; C1424-C1483 WeakPolarHBondContact SG-CB 3.44Å; C1424-C1483 PolarHBondContact SG-N 2.02Å; C1424-C1483 VanDerWaalsContact SG-N 3.4Å; C1424-C1483 CovalentContact SG-SG 2.03Å; C1424-C1483 PolarHBondContact SG-SG 3.44Å
1425P62.2Low57.1Low55 Ų5577.7 Ų77.736%0.35743%0.432SS..  trans-67.4165.1160.232-35000111.6C1427 C1483 G1488P1425-C1427 PolarHBondContact O-N 2.89Å; P1425-C1483 HydrophobicContact CG-CB 4.47Å; P1425-G1488 VanDerWaalsContact CD-O 3.3Å; P1425-G1488 WeakPolarHBondContact CD-O 3.19Å; P1425-G1488 WeakPolarHBondContact CG-O 3.34Å
1426V60.8Low54.9Low80 Ų8082.9 Ų82.949%0.48546%0.464SS..  trans-82.9112.6176.71770000109.6
1427C57.3Low52.6Low6 Ų685.6 Ų85.64%0.04148%0.482CS..  trans-81.7118176.4-52.80000110.7P1425 T1429 P1481 C1490P1425-C1427 PolarHBondContact O-N 2.89Å; C1427-T1429 PolarHBondContact O-N 3.22Å; C1427-P1481 HydrophobicContact CB-CB 4.11Å; C1427-P1481 HydrophobicContact CB-CG 4.07Å; C1427-P1481 PolarHBondContact SG-O 3.32Å; C1427-C1490 WeakPolarHBondContact CA-SG 3.32Å; C1427-C1490 HydrophobicContact CB-CB 3.76Å; C1427-C1490 WeakPolarHBondContact CB-SG 3.46Å; C1427-C1490 VanDerWaalsContact SG-CA 3.59Å; C1427-C1490 WeakPolarHBondContact SG-CB 3.29Å; C1427-C1490 CovalentContact SG-SG 2.03Å; C1427-C1490 PolarHBondContact SG-SG 2.81Å
1428H56Low50.8Low65 Ų6592 Ų9230%0.30152%0.515SS..  trans-87.8102.8-177.7-95.24.7000111.5R1430 D1500H1428-R1430 HydrophobicContact CB-CG 4.12Å; H1428-R1430 PolarHBondContact CD2-NE 3.44Å; H1428-R1430 VanDerWaalsContact CD2-NE 3.32Å; H1428-R1430 PolarHBondContact NE2-NE 3.07Å; H1428-R1430 PolarHBondContact O-N 3.42Å; H1428-D1500 WeakPolarHBondContact CA-O 3.41Å; H1428-D1500 HydrophobicContact CB-CB 4.24Å; H1428-D1500 VanDerWaalsContact CB-O 3.31Å; H1428-D1500 WeakPolarHBondContact CB-O 3.36Å; H1428-D1500 IonicContact CD2-OD2 2.79Å; H1428-D1500 IonicContact CG-OD2 3.45Å; H1428-D1500 PolarHBondContact N-O 2.9Å
1429T44.8Very low48.8Very low110 Ų11093.1 Ų93.168%0.67553%0.525SS*.  trans-76.357.3162.556.70000111.1C1427 P1481C1427-T1429 PolarHBondContact O-N 3.22Å; T1429-P1481 HydrophobicContact CG2-CG 3.49Å; T1429-P1481 VanDerWaalsContact CG2-CG 3.49Å
1430R42.4Very low46.8Very low179 Ų17995.1 Ų95.168%0.67554%0.539SS*.  trans-86113.7177.9-76.6-165.6-173.7-145.72.7111H1428 A1432H1428-R1430 HydrophobicContact CB-CG 4.12Å; H1428-R1430 PolarHBondContact CD2-NE 3.44Å; H1428-R1430 VanDerWaalsContact CD2-NE 3.32Å; H1428-R1430 PolarHBondContact NE2-NE 3.07Å; H1428-R1430 PolarHBondContact O-N 3.42Å; R1430-A1432 PolarHBondContact O-N 3.12Å
1431I34.1Very low44.5Very low107 Ų107100 Ų10055%0.54956%0.563SS.*  trans-76.7106.6163.6-60.7119.7000108.1L1471I1431-L1471 HydrophobicContact CD1-CD1 4.17Å; I1431-L1471 HydrophobicContact CD1-CD2 3.85Å; I1431-L1471 HydrophobicContact CD1-CG 3.85Å
1432A29.5Very low42Very low73 Ų73103.7 Ų103.760%0.60358%0.576SS**  trans-119.3139.4167.800000108.4R1430R1430-A1432 PolarHBondContact O-N 3.12Å
1433D33.5Very low40Very low121 Ų121104.4 Ų104.465%0.64759%0.586SS**  cis-128.3145.9-3.8-88-66.5000109.3N1435D1433-N1435 HydrophobicContact CB-CB 4.37Å; D1433-N1435 PolarHBondContact OD1-ND2 3.13Å
1434S30.1Very low37.8Very low99 Ų99105.8 Ų105.869%0.69259%0.59SS**  cis78.64.60.3-154.80000119.5
1435N27.5Very low36.1Very low97 Ų97110.2 Ų110.252%0.51962%0.616SS.*  trans-168.6130.8171.5-83.7-39.4000107.9D1433 L1437D1433-N1435 HydrophobicContact CB-CB 4.37Å; D1433-N1435 PolarHBondContact OD1-ND2 3.13Å; N1435-L1437 HydrophobicContact CB-CB 3.99Å; N1435-L1437 VanDerWaalsContact OD1-CD1 3.27Å; N1435-L1437 WeakPolarHBondContact OD1-CD1 3.2Å
1436T33.4Very low34.5Very low145 Ų145112.3 Ų112.389%0.8963%0.632SS**  cis-18103.7-7.556.70000115.2
1437L28.5Very low32.9Very low117 Ų117113.3 Ų113.361%0.61364%0.643SS**  cis74.1106.420-152.278.4000114.8N1435N1435-L1437 HydrophobicContact CB-CB 3.99Å; N1435-L1437 VanDerWaalsContact OD1-CD1 3.27Å; N1435-L1437 WeakPolarHBondContact OD1-CD1 3.2Å
1438D31.5Very low31.4Very low135 Ų135121 Ų12172%0.72268%0.681SS**  trans19.2122.2152.7-52.7-45.3000120.4
1439S26.5Very low30.6Very low94 Ų94122.9 Ų122.966%0.65770%0.7SS**  163.761.5120.7-70.60000115.1
1440L29.3Very low29.9Very low172 Ų172124.4 Ų124.490%0.90170%0.704SS**SBendtrans-145.662.3150.1-78.4-173.9000108
1441L26.2Very low29.3Very low123 Ų123122.3 Ų122.364%0.64471%0.706SS**  73.3108.481.1-69.3170000113.7
1442L25.8Very low29.2Very low162 Ų162123.1 Ų123.185%0.84872%0.716SS**  trans66.4141.2149.4-55.1168.1000116.6
1443S25.6Very low29.1Very low86 Ų86128.1 Ų128.160%0.60173%0.725SS**  cis-157.4-171.3-11.254.30000106.5
1444E26.9Very low29Very low171 Ų171129.3 Ų129.380%0.79973%0.73SS**  cis-155.6-169.414.2-150.4138.1-88.600110.8
1445T26.8Very low29Very low118 Ų118128.9 Ų128.972%0.72473%0.727SS**  trans-66.9153.7-178.947.70000114.9
1446S27.3Very low29.2Very low99 Ų99128.4 Ų128.469%0.69273%0.731SS**  trans64.3115.1151.856.40000119.8
1447S27.8Very low29.2Very low101 Ų101129 Ų12971%0.70672%0.724SS**  trans49.2116.4139.261.40000120.9
1448I26.8Very low29.2Very low166 Ų166133.4 Ų133.485%0.85173%0.734SS**  trans166.3149.8137.8-89154.9000108.4
1449P39Very low29Very low105 Ų105135.8 Ų135.868%0.68274%0.741SS**  trans-100.2-176.8-171.539.6-38000116
1450D28.8Very low29.3Very low142 Ų142135.7 Ų135.776%0.75974%0.74SS**  trans98.7122.7158.3-66-21.8000122.2
1451N31Very low29.4Very low135 Ų135135.8 Ų135.872%0.72274%0.735SS**  trans72.6135.4139.1-81.1-41.1000125.2
1452T31.2Very low29.4Very low125 Ų125136.1 Ų136.177%0.76774%0.742SS**  trans68.6148.3143.552.50000119.6
1453F28.8Very low29.5Very low178 Ų178136.9 Ų136.978%0.78174%0.744SS**  cis-164.7150.7-10.8-144.5-135.4000110
1454L31Very low29.7Very low146 Ų146141.5 Ų141.576%0.76475%0.753SS**  trans59.2165161.7-107.263.7000118.1
1455S29.1Very low30Very low89 Ų89141.3 Ų141.362%0.62276%0.758SS**  cis-158.3162.4-11.6-160.10000111.5
1456S31.7Very low30.2Very low88 Ų88142.7 Ų142.762%0.61577%0.766SS**  trans23151.1141.3620000122.9
1457Q33.4Very low30.3Very low156 Ų156146.7 Ų146.773%0.72977%0.771SS**  cis-163.5158.92.8-134.3151.6-67.400112.4
1458Y28.3Very low30.3Very low210 Ų210147.2 Ų147.282%0.82477%0.769SS**  trans33.1125.5146.3-90.1-120.9000123.7
1459H28.3Very low30.5Very low186 Ų186144 Ų14486%0.86177%0.768SS**  -165.1143.9126-138.5-87.1000113.2
1460S32.2Very low30.4Very low91 Ų91145.9 Ų145.964%0.63677%0.771SS**  trans30.5110.8162.3-158.80000119.3
1461E30.7Very low30.4Very low174 Ų174143.8 Ų143.881%0.81376%0.759SS**  cis7814549.5-56.9-159.4138.200117.3
1462V26.9Very low30.3Very low131 Ų131146.3 Ų146.379%0.79476%0.759SS**  trans70.9134.8176.7-160.10000117.2
1463M27Very low30.4Very low178 Ų178150.1 Ų150.188%0.87776%0.759SS**SBendtrans71.263.1172.2-56.7-140.8-174.900121.1
1464K30.4Very low30.3Very low183 Ų183149.9 Ų149.980%0.79677%0.765SS**  trans-137.6-10.8165.1-78.6-167.9178.91670120.7T1466K1464-T1466 VanDerWaalsContact C-N 3.34Å; K1464-T1466 PolarHBondContact O-N 2.8Å; K1464-T1466 VanDerWaalsContact O-N 3.13Å
1465N34.3Very low30.3Very low167 Ų167150.2 Ų150.289%0.89377%0.767SS**THydrogen-bonded Turntrans-82.314.4-165.9-75.610.9000118
1466T31Very low30.4Very low147 Ų147153.9 Ų153.990%0.90278%0.775SS**THydrogen-bonded Turntrans-9520.8172.519.50000114.3K1464K1464-T1466 VanDerWaalsContact C-N 3.34Å; K1464-T1466 PolarHBondContact O-N 2.8Å; K1464-T1466 VanDerWaalsContact O-N 3.13Å
1467K29.2Very low30.4Very low182 Ų182156.4 Ų156.479%0.79178%0.781SS**  trans-127.424.5-170.3-95.8-165.6174.2-170.50117.6
1468V28.1Very low30.4Very low112 Ų112158.1 Ų158.168%0.67979%0.789SS**  trans-129.957.5-179.5-158.80000114.7
1469A29.6Very low30.7Very low100 Ų100155 Ų15583%0.82679%0.787SS**SBendtrans-123.6-15.4167.500000114.5
1470I36.9Very low31.5Very low143 Ų143150 Ų15073%0.73377%0.767SS**SBendtrans-108.5-2.7-168.5-64.9163.1000112.5
1471L28.8Very low32.1Very low98 Ų98148.2 Ų148.251%0.51375%0.752SS.*SBendtrans-127.715.1-157.3-110.7172.1000117.7I1431I1431-L1471 HydrophobicContact CD1-CD1 4.17Å; I1431-L1471 HydrophobicContact CD1-CD2 3.85Å; I1431-L1471 HydrophobicContact CD1-CG 3.85Å
1472R30.3Very low33.3Very low189 Ų189143 Ų14371%0.71373%0.733SS**  trans-133.258.4178.2-76.5-166.9179.21752115
1473R31.8Very low35Very low204 Ų204136.9 Ų136.977%0.7770%0.696SS**  trans-140.554.5150.3-69.2-160.8-160.3-140.74.1111.4E469 N1475E469-R1473 VanDerWaalsContact CD-NH2 3.34Å; E469-R1473 IonicContact OE1-CZ 2.7Å; E469-R1473 IonicContact OE1-NH1 2.66Å; E469-R1473 PolarHBondContact OE1-NH1 2.98Å; E469-R1473 IonicContact OE1-NH2 2.62Å; E469-R1473 PolarHBondContact OE1-NH2 3.13Å; E469-R1473 IonicContact OE2-NH2 3.11Å; E469-R1473 PolarHBondContact OE2-NH2 3.38Å; R1473-N1475 PolarHBondContact O-N 3.47Å
1474L28.2Very low36.8Very low173 Ų173131.4 Ų131.491%0.90667%0.668SS**  trans-7498.3162.2-88.2171.5000109
1475N29.4Very low38.5Very low153 Ų153125 Ų12582%0.81865%0.645SS**  trans-139.6149.3154.2-151.4-13.5000109.2R1473R1473-N1475 PolarHBondContact O-N 3.47Å
1476Q31.3Very low39.8Very low166 Ų166119.7 Ų119.778%0.77662%0.615SS**SBendtrans-84.7147.3-159.3-64.4169.7-13.500112.7
1477N31.5Very low41.5Very low141 Ų141116.4 Ų116.475%0.75459%0.594SS**SBendtrans88.420.6161.2-48.2-50.2000120.8
1478Q33.3Very low43.2Very low193 Ų193108.1 Ų108.190%0.90256%0.561SS**  trans-133.1127.1156.6-67.2-167.5-2.500110.4
1479N34.6Very low45.1Very low143 Ų143107.8 Ų107.877%0.76555%0.552SS**  trans-115.3153-155.1-69.3-29.2000114.7
1480N45Very low46.9Very low83 Ų83103.1 Ų103.144%0.44451%0.513SS..  trans69.5133169-64.1-2.1000117.8T1482N1480-T1482 PolarHBondContact O-N 3.38Å
1481P46.6Very low48.1Very low52 Ų52100.5 Ų100.534%0.33851%0.506SS..PPolyproline II helixtrans-56130.4146.9-9.423.4000108.3C1427 T1429C1427-P1481 HydrophobicContact CB-CB 4.11Å; C1427-P1481 HydrophobicContact CB-CG 4.07Å; C1427-P1481 PolarHBondContact SG-O 3.32Å; T1429-P1481 HydrophobicContact CG2-CG 3.49Å; T1429-P1481 VanDerWaalsContact CG2-CG 3.49Å
1482T55.7Low49.8Very low66 Ų6696.2 Ų96.241%0.40548%0.484SS..PPolyproline II helixtrans-78.8139.9179.6-62.80000110N1480N1480-T1482 PolarHBondContact O-N 3.38Å
1483C63Low51.2Low2 Ų290.4 Ų90.41%0.01447%0.47CS..PPolyproline II helixtrans-65.7155.1174.880.40000111.5C1424 P1425C1424-C1483 WeakPolarHBondContact CA-SG 3.28Å; C1424-C1483 HydrophobicContact CB-CB 3.7Å; C1424-C1483 WeakPolarHBondContact CB-SG 3Å; C1424-C1483 WeakPolarHBondContact SG-CB 3.44Å; C1424-C1483 PolarHBondContact SG-N 2.02Å; C1424-C1483 VanDerWaalsContact SG-N 3.4Å; C1424-C1483 CovalentContact SG-SG 2.03Å; C1424-C1483 PolarHBondContact SG-SG 3.44Å; P1425-C1483 HydrophobicContact CG-CB 4.47Å
1484H64.4Low52.7Low63 Ų6383.7 Ų83.729%0.29245%0.454SS..PPolyproline II helixtrans-57.9122.8178.9-178.5-120000110.7Q1486 T1487 G1488 Q1489H1484-Q1486 PolarHBondContact O-N 3.44Å; H1484-T1487 PolarHBondContact ND1-N 3Å; H1484-T1487 PolarHBondContact ND1-OG1 3.25Å; H1484-T1487 PolarHBondContact O-N 3Å; H1484-G1488 PolarHBondContact O-N 2.04Å; H1484-Q1489 WeakPolarHBondContact CB-O 3.15Å; H1484-Q1489 PolarHBondContact N-O 2.76Å
1485P64.6Low54.6Low47 Ų4776.2 Ų76.231%0.30542%0.418SS..THydrogen-bonded Turntrans-67.3-15.4-167.226.7-36.5000113.6G1401 C1411 Y1416 G1417G1401-P1485 VanDerWaalsContact CA-O 3.23Å; G1401-P1485 WeakPolarHBondContact CA-O 3.41Å; G1401-P1485 PolarHBondContact N-O 3.12Å; C1411-P1485 HydrophobicContact CB-CB 4Å; Y1416-P1485 CarbonylContact C-O 3.33Å; Y1416-P1485 WeakPolarHBondContact CA-O 3.21Å; Y1416-P1485 VanDerWaalsContact CB-O 3.27Å; Y1416-P1485 WeakPolarHBondContact CB-O 3.31Å; G1417-P1485 PolarHBondContact N-O 2.93Å
1486Q61.8Low56.6Low57 Ų5769.7 Ų69.727%0.26638%0.384SS..THydrogen-bonded Turntrans-86.9-51173-44.3-162.9-29.600112.2A1400 H1484A1400-Q1486 HydrophobicContact CB-CB 4.01Å; A1400-Q1486 VanDerWaalsContact CB-O 3.22Å; A1400-Q1486 WeakPolarHBondContact CB-O 3.09Å; A1400-Q1486 VanDerWaalsContact O-CG 3.25Å; A1400-Q1486 WeakPolarHBondContact O-CG 3.08Å; H1484-Q1486 PolarHBondContact O-N 3.44Å
1487T66.6Low58.4Low77 Ų7764.7 Ų64.747%0.47236%0.361SS..THydrogen-bonded Turntrans-99.8-16.4-165.956.40000114.7H1484 Q1489H1484-T1487 PolarHBondContact ND1-N 3Å; H1484-T1487 PolarHBondContact ND1-OG1 3.25Å; H1484-T1487 PolarHBondContact O-N 3Å; T1487-Q1489 PolarHBondContact O-N 2.86Å; T1487-Q1489 WeakPolarHBondContact OG1-CB 3.32Å
1488G66.6Low60.1Low9 Ų959.6 Ų59.69%0.09334%0.342CS..  trans76.43.7-173.700000114.4Y1416 P1425 H1484Y1416-G1488 VanDerWaalsContact CD2-N 3.29Å; Y1416-G1488 VanDerWaalsContact CG-CA 3.5Å; P1425-G1488 VanDerWaalsContact CD-O 3.3Å; P1425-G1488 WeakPolarHBondContact CD-O 3.19Å; P1425-G1488 WeakPolarHBondContact CG-O 3.34Å; H1484-G1488 PolarHBondContact O-N 2.04Å
1489Q66.5Low61.6Low104 Ų10459.5 Ų59.549%0.48634%0.339SS..  trans-85139.6-176.2-172160.2-28.600110.8H1484 T1487 D1513H1484-Q1489 WeakPolarHBondContact CB-O 3.15Å; H1484-Q1489 PolarHBondContact N-O 2.76Å; T1487-Q1489 PolarHBondContact O-N 2.86Å; T1487-Q1489 WeakPolarHBondContact OG1-CB 3.32Å; Q1489-D1513 PolarHBondContact NE2-OD2 3Å
1490C67.1Low63.2Low2 Ų254.9 Ų54.91%0.01431%0.314CS..  trans-72.6130.7173.5-69.40000110C1427 C1492 K1499 C1501C1427-C1490 WeakPolarHBondContact CA-SG 3.32Å; C1427-C1490 HydrophobicContact CB-CB 3.76Å; C1427-C1490 WeakPolarHBondContact CB-SG 3.46Å; C1427-C1490 VanDerWaalsContact SG-CA 3.59Å; C1427-C1490 WeakPolarHBondContact SG-CB 3.29Å; C1427-C1490 CovalentContact SG-SG 2.03Å; C1427-C1490 PolarHBondContact SG-SG 2.81Å; C1490-C1492 PolarHBondContact O-N 2.91Å; C1490-K1499 PolarHBondContact SG-O 2.97Å; C1490-K1499 VanDerWaalsContact SG-O 3.36Å; C1490-C1501 VanDerWaalsContact CB-SG 3.53Å
1491P62.5Low64.3Low89 Ų8951.6 Ų51.658%0.57830%0.297SS*.  trans-75.296.3174.729.6-32.6000109.5
1492C64.8Low65.2Low8 Ų852.2 Ų52.25%0.05430%0.303CS..PPolyproline II helixtrans-75.8134.1-174.6-59.60000112.3C1490 G1498 C1501 D1513C1490-C1492 PolarHBondContact O-N 2.91Å; C1492-G1498 PolarHBondContact SG-O 2.73Å; C1492-G1498 VanDerWaalsContact SG-O 3.39Å; C1492-C1501 WeakPolarHBondContact CA-SG 3.01Å; C1492-C1501 HydrophobicContact CB-CB 3.69Å; C1492-C1501 WeakPolarHBondContact CB-SG 3.48Å; C1492-C1501 WeakPolarHBondContact SG-CA 3.04Å; C1492-C1501 WeakPolarHBondContact SG-CB 3.47Å; C1492-C1501 CovalentContact SG-SG 2.04Å; C1492-C1501 PolarHBondContact SG-SG 2.82Å; C1492-D1513 WeakPolarHBondContact CB-OD1 3.07Å
1493P59.8Low65.9Low66 Ų6651.8 Ų51.843%0.42930%0.3SS..PPolyproline II helixtrans-62.7145.3179.726.7-34.4000110.4G1495 S1496P1493-G1495 PolarHBondContact O-N 3.17Å; P1493-G1495 VanDerWaalsContact O-N 3.17Å; P1493-S1496 PolarHBondContact O-N 2.88Å; P1493-S1496 PolarHBondContact O-OG 2.91Å
1494P64.4Low66.2Low64 Ų6456.4 Ų56.442%0.41633%0.33SS..THydrogen-bonded Turntrans-55.2124.8-177.4-26.234.5000111.8G1511 I1529P1494-G1511 WeakPolarHBondContact CA-O 3.25Å; P1494-I1529 HydrophobicContact CB-CG2 4.02Å; P1494-I1529 WeakPolarHBondContact CB-O 3.44Å
1495G68.2Low66.6Low15 Ų1554.3 Ų54.316%0.15532%0.322CS..THydrogen-bonded Turntrans107.5-5.8-170.300000115.6P1493 C1505 G1511 S1528P1493-G1495 PolarHBondContact O-N 3.17Å; P1493-G1495 VanDerWaalsContact O-N 3.17Å; G1495-C1505 WeakPolarHBondContact CA-SG 3.06Å; G1495-C1505 PolarHBondContact O-N 2.94Å; G1495-C1505 PolarHBondContact O-SG 2.93Å; G1495-G1511 PolarHBondContact N-O 3.43Å; G1495-S1528 WeakPolarHBondContact CA-O 3.27Å; G1495-S1528 PolarHBondContact N-O 2.73Å
1496S70.5Confident67.1Low16 Ų1654.9 Ų54.911%0.11233%0.326CS..EExtended strand (participates in β ladder)trans-131.7160.2169.270.80000114.8P1493 C1501 T1503P1493-S1496 PolarHBondContact O-N 2.88Å; P1493-S1496 PolarHBondContact O-OG 2.91Å; S1496-C1501 PolarHBondContact OG-O 2.94Å; S1496-T1503 CarbonylContact C-O 3.58Å; S1496-T1503 WeakPolarHBondContact CA-O 3.19Å; S1496-T1503 WeakPolarHBondContact CB-O 3.41Å
1497E69.3Low67.4Low61 Ų6161 Ų6129%0.28535%0.352SS..EExtended strand (participates in β ladder)trans-136.7174.6178.859.1176.6-13600110.4C1501 T1503 P1506 C1514E1497-C1501 CarbonylContact O-C 3.31Å; E1497-C1501 WeakPolarHBondContact O-CA 3.16Å; E1497-T1503 HydrophobicContact CG-CG2 3.86Å; E1497-T1503 PolarHBondContact N-O 2.82Å; E1497-T1503 WeakPolarHBondContact O-CB 3.46Å; E1497-T1503 PolarHBondContact O-N 3.42Å; E1497-T1503 VanDerWaalsContact O-N 3.12Å; E1497-P1506 WeakPolarHBondContact OE2-CD 3.21Å; E1497-C1514 HydrophobicContact CB-CB 4.39Å; E1497-C1514 WeakPolarHBondContact OE2-CB 3.2Å
1498G67.3Low67.5Low35 Ų3561.9 Ų61.936%0.36135%0.353SS..SBendtrans104.1159.4174.400000114.1C1492 D1500 C1501C1492-G1498 PolarHBondContact SG-O 2.73Å; C1492-G1498 VanDerWaalsContact SG-O 3.39Å; G1498-D1500 PolarHBondContact O-N 2.04Å; G1498-C1501 PolarHBondContact O-N 3.34Å
1499K64.7Low68.1Low191 Ų19166 Ų6683%0.8337%0.366SS*.THydrogen-bonded Turntrans-62.5-21.6-169.4-67.3-172.5177.3-175.50114.9C1490C1490-K1499 PolarHBondContact SG-O 2.97Å; C1490-K1499 VanDerWaalsContact SG-O 3.36Å
1500D68.6Low68.9Low46 Ų4662.7 Ų62.725%0.24635%0.35CS..THydrogen-bonded Turntrans-121.19.417666.5-22.5000111.9H1428 G1498 S1502H1428-D1500 WeakPolarHBondContact CA-O 3.41Å; H1428-D1500 HydrophobicContact CB-CB 4.24Å; H1428-D1500 VanDerWaalsContact CB-O 3.31Å; H1428-D1500 WeakPolarHBondContact CB-O 3.36Å; H1428-D1500 IonicContact CD2-OD2 2.79Å; H1428-D1500 IonicContact CG-OD2 3.45Å; H1428-D1500 PolarHBondContact N-O 2.9Å; G1498-D1500 PolarHBondContact O-N 2.04Å; D1500-S1502 VanDerWaalsContact C-N 3.3Å; D1500-S1502 PolarHBondContact O-N 3.22Å; D1500-S1502 VanDerWaalsContact OD1-CB 3.26Å; D1500-S1502 WeakPolarHBondContact OD1-CB 3.47Å; D1500-S1502 PolarHBondContact OD1-N 2.79Å; D1500-S1502 PolarHBondContact OD1-OG 3.37Å; D1500-S1502 PolarHBondContact OD2-OG 3.39Å
1501C67.1Low68.6Low14 Ų1462.8 Ų62.810%0.09535%0.351CS..SBendtrans64.123.1-176.8-47.20000116.2C1490 C1492 S1496 E1497 G1498C1490-C1501 VanDerWaalsContact CB-SG 3.53Å; C1492-C1501 WeakPolarHBondContact CA-SG 3.01Å; C1492-C1501 HydrophobicContact CB-CB 3.69Å; C1492-C1501 WeakPolarHBondContact CB-SG 3.48Å; C1492-C1501 WeakPolarHBondContact SG-CA 3.04Å; C1492-C1501 WeakPolarHBondContact SG-CB 3.47Å; C1492-C1501 CovalentContact SG-SG 2.04Å; C1492-C1501 PolarHBondContact SG-SG 2.82Å; S1496-C1501 PolarHBondContact OG-O 2.94Å; E1497-C1501 CarbonylContact O-C 3.31Å; E1497-C1501 WeakPolarHBondContact O-CA 3.16Å; G1498-C1501 PolarHBondContact O-N 3.34Å
1502S66.4Low68.6Low64 Ų6461.9 Ų61.945%0.44835%0.345SS..  trans-79.9-8.6-177.559.20000116.2D1500D1500-S1502 VanDerWaalsContact C-N 3.3Å; D1500-S1502 PolarHBondContact O-N 3.22Å; D1500-S1502 VanDerWaalsContact OD1-CB 3.26Å; D1500-S1502 WeakPolarHBondContact OD1-CB 3.47Å; D1500-S1502 PolarHBondContact OD1-N 2.79Å; D1500-S1502 PolarHBondContact OD1-OG 3.37Å; D1500-S1502 PolarHBondContact OD2-OG 3.39Å
1503T70.8Confident68.8Low57 Ų5764.2 Ų64.235%0.3536%0.357SS..EExtended strand (participates in β ladder)trans-109.1129.2-171.4-56.50000111.4S1496 E1497S1496-T1503 CarbonylContact C-O 3.58Å; S1496-T1503 WeakPolarHBondContact CA-O 3.19Å; S1496-T1503 WeakPolarHBondContact CB-O 3.41Å; E1497-T1503 HydrophobicContact CG-CG2 3.86Å; E1497-T1503 PolarHBondContact N-O 2.82Å; E1497-T1503 WeakPolarHBondContact O-CB 3.46Å; E1497-T1503 PolarHBondContact O-N 3.42Å; E1497-T1503 VanDerWaalsContact O-N 3.12Å
1504P68.4Low69.5Low99 Ų9961.1 Ų61.164%0.64334%0.337SS*.EExtended strand (participates in β ladder)trans-71.9152.9174.4-16.430.9000112.7
1505C72.7Confident69.8Low19 Ų1961.3 Ų61.313%0.12834%0.344CS..PPolyproline II helixtrans-57.9140.6176.5-68.90000113.5G1495 C1514G1495-C1505 WeakPolarHBondContact CA-SG 3.06Å; G1495-C1505 PolarHBondContact O-N 2.94Å; G1495-C1505 PolarHBondContact O-SG 2.93Å; C1505-C1514 WeakPolarHBondContact CA-SG 3.32Å; C1505-C1514 HydrophobicContact CB-CB 3.76Å; C1505-C1514 WeakPolarHBondContact CB-SG 3.09Å; C1505-C1514 VanDerWaalsContact SG-CA 3.56Å; C1505-C1514 WeakPolarHBondContact SG-CB 3.34Å; C1505-C1514 CovalentContact SG-SG 2.03Å; C1505-C1514 PolarHBondContact SG-SG 3.43Å
1506P74.2Confident69.5Low59 Ų5965.5 Ų65.538%0.38336%0.36SS..PPolyproline II helixtrans-57160.3168.2-24.534.1000112.6E1497 R1509E1497-P1506 WeakPolarHBondContact OE2-CD 3.21Å; P1506-R1509 PolarHBondContact O-N 3.01Å
1507K69Low69.7Low187 Ų18768.8 Ų68.881%0.81338%0.379SS*.THydrogen-bonded Turntrans-53.8145168.1-101.6-175.3175.3-179.70110.9R1509K1507-R1509 PolarHBondContact O-N 3.41Å
1508D69Low69.6Low94 Ų9466.7 Ų66.750%0.50337%0.371SS..THydrogen-bonded Turntrans6219.6177.5-42.8-48.6000114V1517 C1518D1508-V1517 WeakPolarHBondContact O-CA 3.45Å; D1508-C1518 PolarHBondContact O-N 2.73Å
1509R79.1Confident70Confident97 Ų9769.7 Ų69.737%0.36638%0.383SS..EExtended strand (participates in β ladder)trans-123.1151.6171.2-75.1-178.2167.1-80-5.7112.7P1506 K1507 C1514 A1515 Q1516P1506-R1509 PolarHBondContact O-N 3.01Å; K1507-R1509 PolarHBondContact O-N 3.41Å; R1509-C1514 HydrophobicContact CB-CB 4.29Å; R1509-C1514 WeakPolarHBondContact CD-O 3.43Å; R1509-C1514 PolarHBondContact NH1-O 2.84Å; R1509-A1515 PolarHBondContact NH1-O 2.86Å; R1509-Q1516 CarbonylContact C-O 3.59Å; R1509-Q1516 VanDerWaalsContact CA-O 3.22Å; R1509-Q1516 WeakPolarHBondContact CA-O 3.48Å
1510F82.6Confident70.4Confident34 Ų3462 Ų6215%0.14935%0.353CS..EExtended strand (participates in β ladder)trans-152.6172.3179.775.9-83.4000114.2C1514 Q1516 C1518 S1527 S1528F1510-C1514 CarbonylContact O-C 3.6Å; F1510-Q1516 HydrophobicContact CD1-CB 3.71Å; F1510-Q1516 HydrophobicContact CD2-CB 4.1Å; F1510-Q1516 HydrophobicContact CE1-CB 3.42Å; F1510-Q1516 VanDerWaalsContact CE1-CB 3.42Å; F1510-Q1516 HydrophobicContact CE2-CB 3.83Å; F1510-Q1516 HydrophobicContact CE2-CG 4.3Å; F1510-Q1516 HydrophobicContact CG-CB 4.07Å; F1510-Q1516 HydrophobicContact CZ-CB 3.5Å; F1510-Q1516 VanDerWaalsContact CZ-CB 3.5Å; F1510-Q1516 HydrophobicContact CZ-CG 4.28Å; F1510-Q1516 PolarHBondContact N-O 2.65Å; F1510-Q1516 PolarHBondContact O-N 2.85Å; F1510-Q1516 VanDerWaalsContact O-N 3.15Å; F1510-C1518 WeakPolarHBondContact CD1-SG 3.4Å; F1510-S1527 WeakPolarHBondContact CB-O 3.24Å; F1510-S1528 CarbonylContact C-O 3.45Å; F1510-S1528 WeakPolarHBondContact CA-O 3.4Å; F1510-S1528 WeakPolarHBondContact CB-O 3.45Å
1511G60.9Low70.6Confident3 Ų364.2 Ų64.23%0.03136%0.361CS..SBendtrans89.1-173.4174.900000113.3P1494 G1495 C1514 S1528P1494-G1511 WeakPolarHBondContact CA-O 3.25Å; G1495-G1511 PolarHBondContact N-O 3.43Å; G1511-C1514 PolarHBondContact O-N 2.96Å; G1511-S1528 PolarHBondContact N-O 3.36Å
1512P62.8Low70.8Confident70 Ų7067.1 Ų67.146%0.45538%0.376SS..G310 helixtrans-64.2140.8171.728.9-34.5000110.5C1514 A1515P1512-C1514 PolarHBondContact O-N 3.07Å; P1512-A1515 PolarHBondContact O-N 2.94Å
1513D68.4Low70.8Confident58 Ų5866 Ų6631%0.3138%0.375SS..G310 helixtrans47.325-173.5-74.6-15.6000114.2Q1489 C1492 A1515Q1489-D1513 PolarHBondContact NE2-OD2 3Å; C1492-D1513 WeakPolarHBondContact CB-OD1 3.07Å; D1513-A1515 PolarHBondContact O-N 3.46Å
1514C74.6Confident70.6Confident0 Ų063.9 Ų63.90%036%0.363CS..G310 helixtrans52.227.3176.3-49.70000114.1E1497 C1505 R1509 F1510 G1511 P1512 Q1516E1497-C1514 HydrophobicContact CB-CB 4.39Å; E1497-C1514 WeakPolarHBondContact OE2-CB 3.2Å; C1505-C1514 WeakPolarHBondContact CA-SG 3.32Å; C1505-C1514 HydrophobicContact CB-CB 3.76Å; C1505-C1514 WeakPolarHBondContact CB-SG 3.09Å; C1505-C1514 VanDerWaalsContact SG-CA 3.56Å; C1505-C1514 WeakPolarHBondContact SG-CB 3.34Å; C1505-C1514 CovalentContact SG-SG 2.03Å; C1505-C1514 PolarHBondContact SG-SG 3.43Å; R1509-C1514 HydrophobicContact CB-CB 4.29Å; R1509-C1514 WeakPolarHBondContact CD-O 3.43Å; R1509-C1514 PolarHBondContact NH1-O 2.84Å; F1510-C1514 CarbonylContact O-C 3.6Å; G1511-C1514 PolarHBondContact O-N 2.96Å; P1512-C1514 PolarHBondContact O-N 3.07Å; C1514-Q1516 PolarHBondContact O-N 2.92Å
1515A70.7Confident70.9Confident69 Ų6963.2 Ų63.257%0.5736%0.357SS*.  trans-69.6-30.4-168.300000113.4R1509 P1512 D1513R1509-A1515 PolarHBondContact NH1-O 2.86Å; P1512-A1515 PolarHBondContact O-N 2.94Å; D1513-A1515 PolarHBondContact O-N 3.46Å
1516Q63.1Low71Confident102 Ų10263.4 Ų63.448%0.47736%0.358SS..EExtended strand (participates in β ladder)trans-90.8148.8-173.1-50.6-171.733.300111.2R1509 F1510 C1514R1509-Q1516 CarbonylContact C-O 3.59Å; R1509-Q1516 VanDerWaalsContact CA-O 3.22Å; R1509-Q1516 WeakPolarHBondContact CA-O 3.48Å; F1510-Q1516 HydrophobicContact CD1-CB 3.71Å; F1510-Q1516 HydrophobicContact CD2-CB 4.1Å; F1510-Q1516 HydrophobicContact CE1-CB 3.42Å; F1510-Q1516 VanDerWaalsContact CE1-CB 3.42Å; F1510-Q1516 HydrophobicContact CE2-CB 3.83Å; F1510-Q1516 HydrophobicContact CE2-CG 4.3Å; F1510-Q1516 HydrophobicContact CG-CB 4.07Å; F1510-Q1516 HydrophobicContact CZ-CB 3.5Å; F1510-Q1516 VanDerWaalsContact CZ-CB 3.5Å; F1510-Q1516 HydrophobicContact CZ-CG 4.28Å; F1510-Q1516 PolarHBondContact N-O 2.65Å; F1510-Q1516 PolarHBondContact O-N 2.85Å; F1510-Q1516 VanDerWaalsContact O-N 3.15Å; C1514-Q1516 PolarHBondContact O-N 2.92Å
1517V75.1Confident71Confident85 Ų8562.1 Ų62.152%0.51535%0.351SS..EExtended strand (participates in β ladder)trans-113.7135.7-175.9178.50000110.2D1508D1508-V1517 WeakPolarHBondContact O-CA 3.45Å
1518C67.1Low70.9Confident18 Ų1855.6 Ų55.612%0.12233%0.329CS..  trans-83127.7-176.8-570000112.4D1508 F1510 C1526D1508-C1518 PolarHBondContact O-N 2.73Å; F1510-C1518 WeakPolarHBondContact CD1-SG 3.4Å; C1518-C1526 HydrophobicContact CB-CB 3.54Å; C1518-C1526 WeakPolarHBondContact CB-SG 3.14Å; C1518-C1526 WeakPolarHBondContact SG-CB 3.33Å; C1518-C1526 CovalentContact SG-SG 2.02Å; C1518-C1526 PolarHBondContact SG-SG 2.75Å
1519T75Confident70.8Confident98 Ų9855.8 Ų55.860%0.60133%0.328SS*.  trans-110.241.5-17951.20000112.9L1543T1519-L1543 WeakPolarHBondContact OG1-CD2 3.47Å
1520C73.6Confident70.1Confident30 Ų3055 Ų5520%0.20334%0.335CS..  trans-73.6129.2-176.5-55.70000112.5A1524 C1533C1520-A1524 HydrophobicContact CB-CB 4.06Å; C1520-A1524 WeakPolarHBondContact CB-O 3.36Å; C1520-C1533 WeakPolarHBondContact CA-SG 3.18Å; C1520-C1533 HydrophobicContact CB-CB 3.82Å; C1520-C1533 WeakPolarHBondContact CB-SG 3.04Å; C1520-C1533 VanDerWaalsContact SG-CA 3.58Å; C1520-C1533 WeakPolarHBondContact SG-CB 3.44Å; C1520-C1533 CovalentContact SG-SG 2.04Å; C1520-C1533 PolarHBondContact SG-SG 2.66Å
1521Q72.9Confident69.5Low92 Ų9253.9 Ų53.943%0.4333%0.333SS..  trans-91.3175.3177.2-54.7-173.39.700111.5G1523 A1524 L1543Q1521-G1523 PolarHBondContact O-N 2.86Å; Q1521-A1524 WeakPolarHBondContact O-CB 3.25Å; Q1521-A1524 PolarHBondContact O-N 3.24Å; Q1521-A1524 VanDerWaalsContact O-N 3.09Å; Q1521-L1543 WeakPolarHBondContact CA-O 3.45Å; Q1521-L1543 VanDerWaalsContact CB-O 3.29Å; Q1521-L1543 WeakPolarHBondContact CB-O 3.42Å; Q1521-L1543 HydrophobicContact CG-CB 4.28Å; Q1521-L1543 PolarHBondContact N-O 3.29Å
1522N70.1Confident70Confident75 Ų7557.9 Ų57.940%0.40136%0.357SS..THydrogen-bonded Turntrans52.725.6175.4-64.9-50.2000115.2A1524 F1539 C1544N1522-A1524 VanDerWaalsContact C-N 3.31Å; N1522-A1524 PolarHBondContact O-N 2.92Å; N1522-F1539 HydrophobicContact CB-CD1 3.83Å; N1522-F1539 HydrophobicContact CB-CD2 4.44Å; N1522-F1539 HydrophobicContact CB-CE1 3.74Å; N1522-F1539 HydrophobicContact CB-CE2 4.35Å; N1522-F1539 HydrophobicContact CB-CG 4.19Å; N1522-F1539 HydrophobicContact CB-CZ 4Å; N1522-F1539 WeakPolarHBondContact ND2-CD1 3.21Å; N1522-F1539 WeakPolarHBondContact ND2-CE1 3.38Å; N1522-C1544 PolarHBondContact ND2-O 2.62Å
1523G66.8Low70.7Confident41 Ų4155.2 Ų55.242%0.42334%0.34SS..THydrogen-bonded Turntrans70.420.7178.800000114.7Q1521 R1536Q1521-G1523 PolarHBondContact O-N 2.86Å; G1523-R1536 VanDerWaalsContact O-CZ 3.22Å; G1523-R1536 PolarHBondContact O-NE 3Å; G1523-R1536 PolarHBondContact O-NH2 2.75Å
1524A66.6Low71.1Confident11 Ų1157 Ų579%0.09135%0.349CS..  trans-67.5149.8169.600000111.5C1520 Q1521 N1522 C1533 N1534 C1544C1520-A1524 HydrophobicContact CB-CB 4.06Å; C1520-A1524 WeakPolarHBondContact CB-O 3.36Å; Q1521-A1524 WeakPolarHBondContact O-CB 3.25Å; Q1521-A1524 PolarHBondContact O-N 3.24Å; Q1521-A1524 VanDerWaalsContact O-N 3.09Å; N1522-A1524 VanDerWaalsContact C-N 3.31Å; N1522-A1524 PolarHBondContact O-N 2.92Å; A1524-C1533 HydrophobicContact CB-CB 4.38Å; A1524-N1534 VanDerWaalsContact CB-O 3.24Å; A1524-N1534 WeakPolarHBondContact CB-O 3.3Å; A1524-C1544 HydrophobicContact CB-CB 3.91Å; A1524-C1544 WeakPolarHBondContact CB-SG 3.38Å
1525T75.3Confident71.1Confident85 Ų8557.8 Ų57.852%0.52136%0.355SS..EExtended strand (participates in β ladder)trans-106.3144.2176.152.60000110.5N1534T1525-N1534 WeakPolarHBondContact O-CB 3.26Å; T1525-N1534 PolarHBondContact O-N 3.34Å; T1525-N1534 PolarHBondContact O-ND2 2.8Å
1526C73.9Confident71.5Confident24 Ų2461.4 Ų61.416%0.16235%0.353CS..EExtended strand (participates in β ladder)trans-88.9158.317762.60000113.8C1518 G1531 T1532C1518-C1526 HydrophobicContact CB-CB 3.54Å; C1518-C1526 WeakPolarHBondContact CB-SG 3.14Å; C1518-C1526 WeakPolarHBondContact SG-CB 3.33Å; C1518-C1526 CovalentContact SG-SG 2.02Å; C1518-C1526 PolarHBondContact SG-SG 2.75Å; C1526-G1531 WeakPolarHBondContact CB-O 3.4Å; C1526-T1532 WeakPolarHBondContact CA-O 3.24Å
1527S74.7Confident72.2Confident32 Ų3259.3 Ų59.322%0.22435%0.349CS..  trans-72.6125.3161.71750000110.6F1510 I1529 T1530 G1531 T1532F1510-S1527 WeakPolarHBondContact CB-O 3.24Å; S1527-I1529 PolarHBondContact O-N 2.74Å; S1527-I1529 PolarHBondContact OG-N 2.86Å; S1527-T1530 WeakPolarHBondContact CB-OG1 3.22Å; S1527-T1530 PolarHBondContact O-N 3.28Å; S1527-T1530 PolarHBondContact OG-N 2.04Å; S1527-T1530 PolarHBondContact OG-OG1 2.92Å; S1527-T1530 VanDerWaalsContact OG-OG1 3.08Å; S1527-G1531 WeakPolarHBondContact O-CA 3.35Å; S1527-G1531 PolarHBondContact O-N 3.23Å; S1527-T1532 PolarHBondContact N-O 3.31Å
1528S67.1Low72.2Confident50 Ų5055.4 Ų55.435%0.3533%0.326SS..THydrogen-bonded Turntrans-64-19.5172.552.60000113.6G1495 F1510 G1511G1495-S1528 WeakPolarHBondContact CA-O 3.27Å; G1495-S1528 PolarHBondContact N-O 2.73Å; F1510-S1528 CarbonylContact C-O 3.45Å; F1510-S1528 WeakPolarHBondContact CA-O 3.4Å; F1510-S1528 WeakPolarHBondContact CB-O 3.45Å; G1511-S1528 PolarHBondContact N-O 3.36Å
1529I66.8Low72.9Confident97 Ų9756.2 Ų56.250%0.49733%0.327SS..THydrogen-bonded Turntrans-84.1-43178.4-52.6-176.9000110.7P1494 S1527P1494-I1529 HydrophobicContact CB-CG2 4.02Å; P1494-I1529 WeakPolarHBondContact CB-O 3.44Å; S1527-I1529 PolarHBondContact O-N 2.74Å; S1527-I1529 PolarHBondContact OG-N 2.86Å
1530T64Low73.2Confident81 Ų8155.7 Ų55.750%0.49732%0.315SS..THydrogen-bonded Turntrans-124-7.3-165.3620000115.8S1527 T1532S1527-T1530 WeakPolarHBondContact CB-OG1 3.22Å; S1527-T1530 PolarHBondContact O-N 3.28Å; S1527-T1530 PolarHBondContact OG-N 2.04Å; S1527-T1530 PolarHBondContact OG-OG1 2.92Å; S1527-T1530 VanDerWaalsContact OG-OG1 3.08Å; T1530-T1532 WeakPolarHBondContact CB-OG1 3.04Å; T1530-T1532 PolarHBondContact O-N 3.22Å; T1530-T1532 PolarHBondContact OG1-OG1 3.2Å
1531G70.1Confident73Confident11 Ų1155.3 Ų55.311%0.11332%0.316CS..  trans73.3-18.1-176.200000115.2C1526 S1527 C1533C1526-G1531 WeakPolarHBondContact CB-O 3.4Å; S1527-G1531 WeakPolarHBondContact O-CA 3.35Å; S1527-G1531 PolarHBondContact O-N 3.23Å; G1531-C1533 PolarHBondContact O-N 3.33Å
1532T71.6Confident72.7Confident87 Ų8756.1 Ų56.153%0.53433%0.329SS..  trans-47.4123.7178.6-42.90000111.9C1526 S1527 T1530C1526-T1532 WeakPolarHBondContact CA-O 3.24Å; S1527-T1532 PolarHBondContact N-O 3.31Å; T1530-T1532 WeakPolarHBondContact CB-OG1 3.04Å; T1530-T1532 PolarHBondContact O-N 3.22Å; T1530-T1532 PolarHBondContact OG1-OG1 3.2Å
1533C77.7Confident73Confident14 Ų1455.4 Ų55.410%0.09533%0.325CS..EExtended strand (participates in β ladder)trans-78.7119.2178.8-62.80000111.3C1520 A1524 G1531 C1535 C1544C1520-C1533 WeakPolarHBondContact CA-SG 3.18Å; C1520-C1533 HydrophobicContact CB-CB 3.82Å; C1520-C1533 WeakPolarHBondContact CB-SG 3.04Å; C1520-C1533 VanDerWaalsContact SG-CA 3.58Å; C1520-C1533 WeakPolarHBondContact SG-CB 3.44Å; C1520-C1533 CovalentContact SG-SG 2.04Å; C1520-C1533 PolarHBondContact SG-SG 2.66Å; A1524-C1533 HydrophobicContact CB-CB 4.38Å; G1531-C1533 PolarHBondContact O-N 3.33Å; C1533-C1535 PolarHBondContact O-N 3.31Å; C1533-C1535 VanDerWaalsContact O-N 3.09Å; C1533-C1544 WeakPolarHBondContact CB-SG 3.01Å
1534N76.2Confident73.6Confident95 Ų9553.5 Ų53.551%0.50831%0.305SS..EExtended strand (participates in β ladder)trans-76.693.3172.5-64.4-58.5000109.6A1524 T1525A1524-N1534 VanDerWaalsContact CB-O 3.24Å; A1524-N1534 WeakPolarHBondContact CB-O 3.3Å; T1525-N1534 WeakPolarHBondContact O-CB 3.26Å; T1525-N1534 PolarHBondContact O-N 3.34Å; T1525-N1534 PolarHBondContact O-ND2 2.8Å
1535C75.5Confident74.2Confident17 Ų1755.6 Ų55.612%0.11531%0.313CS..PPolyproline II helixtrans-63.9135.8-178.9-53.80000111.8C1533 F1539 C1544C1533-C1535 PolarHBondContact O-N 3.31Å; C1533-C1535 VanDerWaalsContact O-N 3.09Å; C1535-F1539 HydrophobicContact CB-CB 4.29Å; C1535-F1539 WeakPolarHBondContact CB-O 3.38Å; C1535-C1544 WeakPolarHBondContact CA-SG 3.21Å; C1535-C1544 HydrophobicContact CB-CB 3.78Å; C1535-C1544 WeakPolarHBondContact CB-SG 3.44Å; C1535-C1544 PolarHBondContact N-SG 2.82Å; C1535-C1544 VanDerWaalsContact N-SG 3.41Å; C1535-C1544 WeakPolarHBondContact SG-CA 3.31Å; C1535-C1544 WeakPolarHBondContact SG-CB 3.05Å; C1535-C1544 CovalentContact SG-SG 2.04Å; C1535-C1544 PolarHBondContact SG-SG 3.01Å
1536R77.8Confident74.3Confident144 Ų14455.6 Ų55.654%0.54331%0.307SS..PPolyproline II helixtrans-64.3155.1170.3-61.5-175.8-177.3-159.22.6109.5G1523 G1538 F1539G1523-R1536 VanDerWaalsContact O-CZ 3.22Å; G1523-R1536 PolarHBondContact O-NE 3Å; G1523-R1536 PolarHBondContact O-NH2 2.75Å; R1536-G1538 PolarHBondContact O-N 2.94Å; R1536-F1539 HydrophobicContact CB-CD2 4.26Å; R1536-F1539 PolarHBondContact O-N 3.03Å; R1536-F1539 VanDerWaalsContact O-N 3.17Å
1537P77.4Confident74.7Confident58 Ų5859 Ų5938%0.37733%0.328SS..THydrogen-bonded Turntrans-49.1138.9171.8-27.334.5000111.7G1554 V1555 K1574P1537-G1554 WeakPolarHBondContact CA-O 3.35Å; P1537-V1555 HydrophobicContact CG-CG2 3.99Å; P1537-K1574 HydrophobicContact CB-CB 4.35Å; P1537-K1574 HydrophobicContact CB-CG 4.45Å; P1537-K1574 WeakPolarHBondContact O-CG 3.49Å
1538G75.8Confident74.8Confident3 Ų358.2 Ų58.23%0.03132%0.322CS..THydrogen-bonded Turntrans87.61.4-175.900000115.8R1536 T1547 C1548 G1554 P1573R1536-G1538 PolarHBondContact O-N 2.94Å; G1538-T1547 CarbonylContact O-C 3.49Å; G1538-T1547 VanDerWaalsContact O-CA 3.29Å; G1538-T1547 WeakPolarHBondContact O-CA 3.39Å; G1538-C1548 WeakPolarHBondContact CA-SG 3.17Å; G1538-C1548 PolarHBondContact O-N 2.99Å; G1538-G1554 PolarHBondContact N-O 2.93Å; G1538-P1573 VanDerWaalsContact CA-O 3.24Å; G1538-P1573 WeakPolarHBondContact CA-O 3.41Å; G1538-P1573 PolarHBondContact N-O 2.83Å
1539F81.6Confident75.1Confident35 Ų3558.1 Ų58.115%0.15432%0.32CS..EExtended strand (participates in β ladder)trans-130.9149.2179.9-61.6-88.7000113.8N1522 C1535 R1536 H1546 T1547 G1556N1522-F1539 HydrophobicContact CB-CD1 3.83Å; N1522-F1539 HydrophobicContact CB-CD2 4.44Å; N1522-F1539 HydrophobicContact CB-CE1 3.74Å; N1522-F1539 HydrophobicContact CB-CE2 4.35Å; N1522-F1539 HydrophobicContact CB-CG 4.19Å; N1522-F1539 HydrophobicContact CB-CZ 4Å; N1522-F1539 WeakPolarHBondContact ND2-CD1 3.21Å; N1522-F1539 WeakPolarHBondContact ND2-CE1 3.38Å; C1535-F1539 HydrophobicContact CB-CB 4.29Å; C1535-F1539 WeakPolarHBondContact CB-O 3.38Å; R1536-F1539 HydrophobicContact CB-CD2 4.26Å; R1536-F1539 PolarHBondContact O-N 3.03Å; R1536-F1539 VanDerWaalsContact O-N 3.17Å; F1539-H1546 CarbonylContact C-O 3.49Å; F1539-H1546 WeakPolarHBondContact CA-O 3.46Å; F1539-T1547 HydrophobicContact CD1-CG2 4Å; F1539-T1547 HydrophobicContact CE1-CG2 3.63Å; F1539-T1547 HydrophobicContact CZ-CG2 4.37Å; F1539-G1556 VanDerWaalsContact O-CA 3.32Å; F1539-G1556 WeakPolarHBondContact O-CA 3.32Å; F1539-G1556 PolarHBondContact O-N 3.18Å
1540Y82.6Confident75.4Confident87 Ų8758.5 Ų58.534%0.34133%0.329SS..EExtended strand (participates in β ladder)trans-145.2179.3174.979.6-74.5000112.9C1544 Q1545 H1546 T1547 P1549Y1540-C1544 CarbonylContact O-C 3.51Å; Y1540-C1544 VanDerWaalsContact O-C 3.31Å; Y1540-C1544 WeakPolarHBondContact O-CA 3.5Å; Y1540-Q1545 PolarHBondContact O-N 3.26Å; Y1540-H1546 HydrophobicContact CD1-CB 3.7Å; Y1540-H1546 HydrophobicContact CE1-CB 3.33Å; Y1540-H1546 HydrophobicContact CE2-CB 4.29Å; Y1540-H1546 HydrophobicContact CG-CB 4.32Å; Y1540-H1546 PolarHBondContact N-O 2.03Å; Y1540-H1546 PolarHBondContact O-N 3.41Å; Y1540-T1547 VanDerWaalsContact CE1-O 3.27Å; Y1540-T1547 WeakPolarHBondContact CE1-O 3.39Å; Y1540-P1549 HydrophobicContact CE1-CG 4.07Å
1541G68.8Low75.8Confident22 Ų2255.8 Ų55.823%0.22732%0.317CS..SBendtrans98.6158.9-176.900000112.5L1543 C1544G1541-L1543 PolarHBondContact O-N 3.16Å; G1541-L1543 VanDerWaalsContact O-N 3.14Å; G1541-C1544 PolarHBondContact O-N 3.37Å
1542P66.6Low76.4Confident109 Ų10960.1 Ų60.171%0.70833%0.33SS*.THydrogen-bonded Turntrans-60.6-24.4-174.422.5-35.2000114.7
1543L77Confident77.1Confident60 Ų6060 Ų6031%0.31432%0.319SS..THydrogen-bonded Turntrans-109.311.2174.1-52.5179.4000111.9T1519 Q1521 G1541 Q1545T1519-L1543 WeakPolarHBondContact OG1-CD2 3.47Å; Q1521-L1543 WeakPolarHBondContact CA-O 3.45Å; Q1521-L1543 VanDerWaalsContact CB-O 3.29Å; Q1521-L1543 WeakPolarHBondContact CB-O 3.42Å; Q1521-L1543 HydrophobicContact CG-CB 4.28Å; Q1521-L1543 PolarHBondContact N-O 3.29Å; G1541-L1543 PolarHBondContact O-N 3.16Å; G1541-L1543 VanDerWaalsContact O-N 3.14Å; L1543-Q1545 HydrophobicContact CB-CB 4.44Å; L1543-Q1545 PolarHBondContact O-N 3.04Å
1544C79Confident76.9Confident1 Ų159.6 Ų59.61%0.00732%0.318CS..SBendtrans55.830.1-169.6-52.30000114.2N1522 A1524 C1533 C1535 Y1540 G1541N1522-C1544 PolarHBondContact ND2-O 2.62Å; A1524-C1544 HydrophobicContact CB-CB 3.91Å; A1524-C1544 WeakPolarHBondContact CB-SG 3.38Å; C1533-C1544 WeakPolarHBondContact CB-SG 3.01Å; C1535-C1544 WeakPolarHBondContact CA-SG 3.21Å; C1535-C1544 HydrophobicContact CB-CB 3.78Å; C1535-C1544 WeakPolarHBondContact CB-SG 3.44Å; C1535-C1544 PolarHBondContact N-SG 2.82Å; C1535-C1544 VanDerWaalsContact N-SG 3.41Å; C1535-C1544 WeakPolarHBondContact SG-CA 3.31Å; C1535-C1544 WeakPolarHBondContact SG-CB 3.05Å; C1535-C1544 CovalentContact SG-SG 2.04Å; C1535-C1544 PolarHBondContact SG-SG 3.01Å; Y1540-C1544 CarbonylContact O-C 3.51Å; Y1540-C1544 VanDerWaalsContact O-C 3.31Å; Y1540-C1544 WeakPolarHBondContact O-CA 3.5Å; G1541-C1544 PolarHBondContact O-N 3.37Å
1545Q78.2Confident76.9Confident55 Ų5559.7 Ų59.726%0.25732%0.322SS..  trans-79.3-14.1-170.673.7-79.64.600114.9Y1540 L1543Y1540-Q1545 PolarHBondContact O-N 3.26Å; L1543-Q1545 HydrophobicContact CB-CB 4.44Å; L1543-Q1545 PolarHBondContact O-N 3.04Å
1546H77.5Confident76.7Confident85 Ų8560.7 Ų60.739%0.39434%0.335SS..EExtended strand (participates in β ladder)trans-111.4139.9-176.8-56.5-62000111.6F1539 Y1540F1539-H1546 CarbonylContact C-O 3.49Å; F1539-H1546 WeakPolarHBondContact CA-O 3.46Å; Y1540-H1546 HydrophobicContact CD1-CB 3.7Å; Y1540-H1546 HydrophobicContact CE1-CB 3.33Å; Y1540-H1546 HydrophobicContact CE2-CB 4.29Å; Y1540-H1546 HydrophobicContact CG-CB 4.32Å; Y1540-H1546 PolarHBondContact N-O 2.03Å; Y1540-H1546 PolarHBondContact O-N 3.41Å
1547T81.8Confident76.8Confident97 Ų9754.1 Ų54.160%0.59531%0.311SS*.EExtended strand (participates in β ladder)trans-77.5149.3166.146.40000111G1538 F1539 Y1540G1538-T1547 CarbonylContact O-C 3.49Å; G1538-T1547 VanDerWaalsContact O-CA 3.29Å; G1538-T1547 WeakPolarHBondContact O-CA 3.39Å; F1539-T1547 HydrophobicContact CD1-CG2 4Å; F1539-T1547 HydrophobicContact CE1-CG2 3.63Å; F1539-T1547 HydrophobicContact CZ-CG2 4.37Å; Y1540-T1547 VanDerWaalsContact CE1-O 3.27Å; Y1540-T1547 WeakPolarHBondContact CE1-O 3.39Å
1548C76.8Confident76.6Confident15 Ų1555 Ų5510%0.10132%0.324CS..PPolyproline II helixtrans-52.4141.1-176.5-64.20000114.1G1538 R1552 C1557 P1573G1538-C1548 WeakPolarHBondContact CA-SG 3.17Å; G1538-C1548 PolarHBondContact O-N 2.99Å; C1548-R1552 VanDerWaalsContact CB-O 3.32Å; C1548-R1552 WeakPolarHBondContact CB-O 3.48Å; C1548-C1557 WeakPolarHBondContact CA-SG 3.41Å; C1548-C1557 HydrophobicContact CB-CB 3.79Å; C1548-C1557 WeakPolarHBondContact CB-SG 3.41Å; C1548-C1557 VanDerWaalsContact SG-CA 3.6Å; C1548-C1557 WeakPolarHBondContact SG-CB 3.4Å; C1548-C1557 CovalentContact SG-SG 2.03Å; C1548-C1557 PolarHBondContact SG-SG 2.75Å; C1548-P1573 HydrophobicContact CB-CB 3.89Å
1549P74.3Confident76.5Confident48 Ų4857.2 Ų57.231%0.31234%0.339SS..PPolyproline II helixtrans-61.4155.5170.4-19.332.7000111.5Y1540 G1551 R1552Y1540-P1549 HydrophobicContact CE1-CG 4.07Å; P1549-G1551 PolarHBondContact O-N 2.77Å; P1549-R1552 PolarHBondContact O-N 2.99Å; P1549-R1552 VanDerWaalsContact O-N 3.1Å
1550P73Confident76.3Confident105 Ų10560 Ų6068%0.68236%0.358SS*.THydrogen-bonded Turntrans-50.4137171.2-2634.9000111.7R1552P1550-R1552 VanDerWaalsContact C-N 3.35Å
1551G72.1Confident75.8Confident24 Ų2456.8 Ų56.825%0.24735%0.348CS..THydrogen-bonded Turntrans76.511.3-176.700000115.8P1549 V1560 C1561P1549-G1551 PolarHBondContact O-N 2.77Å; G1551-V1560 WeakPolarHBondContact O-CA 3.41Å; G1551-C1561 VanDerWaalsContact C-SG 3.54Å; G1551-C1561 PolarHBondContact O-N 3.27Å
1552R83.4Confident76.2Confident102 Ų10260.1 Ų60.139%0.38536%0.361SS..EExtended strand (participates in β ladder)trans-129.5147.8172.2-72.6-177.6166.4-79.7-7112.8C1548 P1549 P1550 C1557 A1558 S1559C1548-R1552 VanDerWaalsContact CB-O 3.32Å; C1548-R1552 WeakPolarHBondContact CB-O 3.48Å; P1549-R1552 PolarHBondContact O-N 2.99Å; P1549-R1552 VanDerWaalsContact O-N 3.1Å; P1550-R1552 VanDerWaalsContact C-N 3.35Å; R1552-C1557 HydrophobicContact CB-CB 4.16Å; R1552-C1557 PolarHBondContact NH1-O 2.88Å; R1552-A1558 PolarHBondContact NH1-O 2.94Å; R1552-A1558 VanDerWaalsContact NH1-O 3.17Å; R1552-S1559 CarbonylContact C-O 3.52Å; R1552-S1559 VanDerWaalsContact CA-O 3.3Å; R1552-S1559 WeakPolarHBondContact CA-O 3.23Å
1553W85.2Confident76.8Confident83 Ų8356.3 Ų56.331%0.31434%0.336SS..EExtended strand (participates in β ladder)trans-147.8175-176.272.5-77.4000113.9C1557 S1559 V1560 P1573 T1575 G1576W1553-C1557 CarbonylContact O-C 3.59Å; W1553-C1557 WeakPolarHBondContact O-CA 3.04Å; W1553-S1559 VanDerWaalsContact CD1-CB 3.49Å; W1553-S1559 PolarHBondContact N-O 2.91Å; W1553-S1559 PolarHBondContact O-N 3.09Å; W1553-V1560 PolarHBondContact NE1-O 3.4Å; W1553-V1560 VanDerWaalsContact NE1-O 3.11Å; W1553-P1573 VanDerWaalsContact CA-O 3.28Å; W1553-P1573 WeakPolarHBondContact CA-O 3.02Å; W1553-T1575 VanDerWaalsContact CE3-C 3.44Å; W1553-G1576 VanDerWaalsContact CE3-N 3.29Å; W1553-G1576 VanDerWaalsContact CG-CA 3.42Å
1554G74.6Confident76.4Confident7 Ų759 Ų597%0.07234%0.343CS..SBendtrans84.7-164.4172.600000114P1537 G1538 G1556 C1557 P1573P1537-G1554 WeakPolarHBondContact CA-O 3.35Å; G1538-G1554 PolarHBondContact N-O 2.93Å; G1554-G1556 PolarHBondContact O-N 3.13Å; G1554-C1557 PolarHBondContact O-N 2.88Å; G1554-P1573 PolarHBondContact N-O 3.07Å; G1554-P1573 VanDerWaalsContact N-O 3.09Å
1555V75.8Confident76Confident97 Ų9761.8 Ų61.859%0.58836%0.358SS*.G310 helixtrans-69.1125.2179.1175.20000109.4P1537 C1557 A1558P1537-V1555 HydrophobicContact CG-CG2 3.99Å; V1555-C1557 PolarHBondContact O-N 3.32Å; V1555-C1557 VanDerWaalsContact O-N 3.08Å; V1555-A1558 PolarHBondContact O-N 2.73Å
1556G72.3Confident75.4Confident38 Ų3860.6 Ų60.639%0.39236%0.355SS..G310 helixtrans63.811.2-17900000114.7F1539 G1554 A1558F1539-G1556 VanDerWaalsContact O-CA 3.32Å; F1539-G1556 WeakPolarHBondContact O-CA 3.32Å; F1539-G1556 PolarHBondContact O-N 3.18Å; G1554-G1556 PolarHBondContact O-N 3.13Å; G1556-A1558 PolarHBondContact O-N 2.87Å
1557C79.7Confident74.8Confident5 Ų558.8 Ų58.83%0.03435%0.347CS..G310 helixtrans59.128.3-176.2-44.90000114C1548 R1552 W1553 G1554 V1555C1548-C1557 WeakPolarHBondContact CA-SG 3.41Å; C1548-C1557 HydrophobicContact CB-CB 3.79Å; C1548-C1557 WeakPolarHBondContact CB-SG 3.41Å; C1548-C1557 VanDerWaalsContact SG-CA 3.6Å; C1548-C1557 WeakPolarHBondContact SG-CB 3.4Å; C1548-C1557 CovalentContact SG-SG 2.03Å; C1548-C1557 PolarHBondContact SG-SG 2.75Å; R1552-C1557 HydrophobicContact CB-CB 4.16Å; R1552-C1557 PolarHBondContact NH1-O 2.88Å; W1553-C1557 CarbonylContact O-C 3.59Å; W1553-C1557 WeakPolarHBondContact O-CA 3.04Å; G1554-C1557 PolarHBondContact O-N 2.88Å; V1555-C1557 PolarHBondContact O-N 3.32Å; V1555-C1557 VanDerWaalsContact O-N 3.08Å
1558A71.9Confident73.8Confident78 Ų7860.1 Ų60.165%0.64536%0.358SS*.  trans-64.1-41.8-177.800000112.3R1552 V1555 G1556R1552-A1558 PolarHBondContact NH1-O 2.94Å; R1552-A1558 VanDerWaalsContact NH1-O 3.17Å; V1555-A1558 PolarHBondContact O-N 2.73Å; G1556-A1558 PolarHBondContact O-N 2.87Å
1559S73.5Confident72.8Confident49 Ų4962 Ų6234%0.34337%0.371SS..EExtended strand (participates in β ladder)trans-75.3137.2-179-53.20000111.6R1552 W1553R1552-S1559 CarbonylContact C-O 3.52Å; R1552-S1559 VanDerWaalsContact CA-O 3.3Å; R1552-S1559 WeakPolarHBondContact CA-O 3.23Å; W1553-S1559 VanDerWaalsContact CD1-CB 3.49Å; W1553-S1559 PolarHBondContact N-O 2.91Å; W1553-S1559 PolarHBondContact O-N 3.09Å
1560V77.6Confident72.4Confident92 Ų9260.2 Ų60.256%0.55836%0.361SS*.EExtended strand (participates in β ladder)trans-87.1150.8167-178.40000108.5G1551 W1553G1551-V1560 WeakPolarHBondContact O-CA 3.41Å; W1553-V1560 PolarHBondContact NE1-O 3.4Å; W1553-V1560 VanDerWaalsContact NE1-O 3.11Å
1561C73.2Confident72.7Confident21 Ų2155.6 Ų55.614%0.14233%0.332CS..PPolyproline II helixtrans-87.2129.3176.9-62.40000111.2G1551 C1571G1551-C1561 VanDerWaalsContact C-SG 3.54Å; G1551-C1561 PolarHBondContact O-N 3.27Å; C1561-C1571 HydrophobicContact CB-CB 3.53Å; C1561-C1571 WeakPolarHBondContact CB-SG 3.36Å; C1561-C1571 WeakPolarHBondContact SG-CB 3.29Å; C1561-C1571 CovalentContact SG-SG 2.01Å; C1561-C1571 PolarHBondContact SG-SG 3.37Å
1562D77.5Confident72.9Confident92 Ų9256.7 Ų56.749%0.49233%0.332SS..  trans-108.572.5-172-177.713.5000110.4R1588D1562-R1588 WeakPolarHBondContact O-CB 3.34Å; D1562-R1588 WeakPolarHBondContact O-CG 3.48Å; D1562-R1588 IonicContact OD1-CZ 3.85Å; D1562-R1588 IonicContact OD1-NE 2.66Å; D1562-R1588 PolarHBondContact OD1-NE 3Å; D1562-R1588 IonicContact OD1-NH2 2.62Å; D1562-R1588 PolarHBondContact OD1-NH2 2.65Å; D1562-R1588 IonicContact OD2-CZ 3.41Å; D1562-R1588 IonicContact OD2-NE 2.88Å; D1562-R1588 PolarHBondContact OD2-NE 3Å; D1562-R1588 VanDerWaalsContact OD2-NE 3.15Å; D1562-R1588 IonicContact OD2-NH2 3.71Å; D1562-R1588 PolarHBondContact OD2-NH2 3.14Å
1563C77.4Confident72.4Confident28 Ų2854.3 Ų54.319%0.18933%0.329CS..  trans-122.4124.1-170.7-51.50000111.7G1570 C1578 R1588C1563-G1570 PolarHBondContact SG-O 2.88Å; C1563-C1578 VanDerWaalsContact CA-SG 3.51Å; C1563-C1578 HydrophobicContact CB-CB 3.73Å; C1563-C1578 WeakPolarHBondContact CB-SG 3.49Å; C1563-C1578 VanDerWaalsContact SG-CA 3.54Å; C1563-C1578 WeakPolarHBondContact SG-CB 3.26Å; C1563-C1578 CovalentContact SG-SG 2.03Å; C1563-C1578 PolarHBondContact SG-SG 3.11Å; C1563-R1588 CarbonylContact C-O 3.47Å
1564Y68.8Low72.1Confident118 Ų11856.3 Ų56.346%0.46334%0.34SS..SBendtrans-81.3163.2161.6-58.3-73.4000109.9S1566 R1588 C1589 E1590Y1564-S1566 PolarHBondContact O-N 3.37Å; Y1564-R1588 HydrophobicContact CD2-CB 4.17Å; Y1564-R1588 PolarHBondContact N-O 3.08Å; Y1564-R1588 PolarHBondContact OH-NH2 3.47Å; Y1564-R1588 VanDerWaalsContact OH-NH2 3.16Å; Y1564-C1589 VanDerWaalsContact O-CB 3.24Å; Y1564-C1589 WeakPolarHBondContact O-CB 3.32Å; Y1564-E1590 HydrophobicContact CD2-CB 4.06Å
1565N70.8Confident72.3Confident59 Ų5960.2 Ų60.232%0.31636%0.363SS..SBendtrans41.830.8168.7-52.7-50.7000116.9K1581 Y1584 C1589N1565-K1581 VanDerWaalsContact O-CB 3.27Å; N1565-K1581 WeakPolarHBondContact O-CB 3.48Å; N1565-K1581 WeakPolarHBondContact O-CD 3.19Å; N1565-K1581 WeakPolarHBondContact O-CG 3.1Å; N1565-K1581 PolarHBondContact O-N 3.37Å; N1565-Y1584 HydrophobicContact CB-CD1 3.59Å; N1565-Y1584 HydrophobicContact CB-CD2 3.91Å; N1565-Y1584 HydrophobicContact CB-CE1 3.83Å; N1565-Y1584 HydrophobicContact CB-CE2 4.15Å; N1565-Y1584 HydrophobicContact CB-CG 3.62Å; N1565-Y1584 VanDerWaalsContact CG-CE1 3.42Å; N1565-Y1584 WeakPolarHBondContact ND2-CD1 3.35Å; N1565-Y1584 WeakPolarHBondContact ND2-CE1 3.31Å; N1565-C1589 PolarHBondContact ND2-O 3.39Å
1566S66.5Low72.1Confident29 Ų2956 Ų5620%0.20334%0.34CS..EExtended strand (participates in β ladder)trans-87.9162.7-171.967.40000112.5Y1564 R1579 K1581Y1564-S1566 PolarHBondContact O-N 3.37Å; S1566-R1579 CarbonylContact C-O 3.51Å; S1566-R1579 VanDerWaalsContact CA-O 3.24Å; S1566-R1579 WeakPolarHBondContact CA-O 3.33Å; S1566-R1579 WeakPolarHBondContact CB-O 3.5Å; S1566-K1581 WeakPolarHBondContact O-CE 3.14Å
1567Q65.6Low72.5Confident48 Ų4861.2 Ų61.222%0.22435%0.347CS..EExtended strand (participates in β ladder)trans-65.6162.5167.7-64-178.423.800110.8S1569 G1570 R1579 C1580 E1600Q1567-S1569 PolarHBondContact O-N 3.28Å; Q1567-G1570 PolarHBondContact O-N 3.48Å; Q1567-R1579 HydrophobicContact CB-CB 4.47Å; Q1567-R1579 PolarHBondContact N-O 3.43Å; Q1567-C1580 WeakPolarHBondContact CG-O 3.24Å; Q1567-C1580 PolarHBondContact NE2-O 3.37Å; Q1567-E1600 PolarHBondContact NE2-OE1 2.87Å
1568P60Low72.4Confident125 Ų12561.5 Ų61.581%0.81235%0.349SS*.EExtended strand (participates in β ladder)trans-61.3-12.7-173.5-26.436.3000116.6
1569S55.1Low72.6Confident53 Ų5363.7 Ų63.737%0.37134%0.341SS..EExtended strand (participates in β ladder)trans-81.2-13.717245.40000113.9Q1567 C1571Q1567-S1569 PolarHBondContact O-N 3.28Å; S1569-C1571 PolarHBondContact O-N 3.48Å
1570G66.5Low72.8Confident11 Ų1161.6 Ų61.611%0.11333%0.326CS..EExtended strand (participates in β ladder)trans74.2-65.3-177.200000113.4C1563 Q1567 R1579C1563-G1570 PolarHBondContact SG-O 2.88Å; Q1567-G1570 PolarHBondContact O-N 3.48Å; G1570-R1579 PolarHBondContact O-N 2.69Å
1571C78.3Confident72.8Confident9 Ų961.5 Ų61.56%0.06132%0.318CS..EExtended strand (participates in β ladder)trans-155.5169.8-160.250.70000112.8C1561 S1569 G1576 R1577C1561-C1571 HydrophobicContact CB-CB 3.53Å; C1561-C1571 WeakPolarHBondContact CB-SG 3.36Å; C1561-C1571 WeakPolarHBondContact SG-CB 3.29Å; C1561-C1571 CovalentContact SG-SG 2.01Å; C1561-C1571 PolarHBondContact SG-SG 3.37Å; S1569-C1571 PolarHBondContact O-N 3.48Å; C1571-G1576 WeakPolarHBondContact CB-O 3.43Å; C1571-R1577 CarbonylContact C-O 3.49Å; C1571-R1577 WeakPolarHBondContact CA-O 3.44Å
1572D78.2Confident73.1Confident47 Ų4763.4 Ų63.425%0.25133%0.33SS..  trans-77.3124.7164.3-176.4-82.7000111.4K1574 T1575 G1576 R1577D1572-K1574 PolarHBondContact O-N 2.84Å; D1572-K1574 WeakPolarHBondContact OD1-CA 3.46Å; D1572-K1574 WeakPolarHBondContact OD1-CB 3.48Å; D1572-K1574 PolarHBondContact OD1-N 2.83Å; D1572-T1575 WeakPolarHBondContact CB-OG1 3.35Å; D1572-T1575 PolarHBondContact O-N 2.71Å; D1572-T1575 PolarHBondContact OD1-N 3.43Å; D1572-T1575 PolarHBondContact OD1-OG1 2.04Å; D1572-G1576 WeakPolarHBondContact O-CA 3.4Å; D1572-G1576 PolarHBondContact O-N 3.07Å; D1572-R1577 PolarHBondContact N-O 2.82Å
1573P72.1Confident73.1Confident52 Ų5259 Ų5934%0.33831%0.306SS..THydrogen-bonded Turntrans-70.6-13.1-174.327.7-35.3000114.3G1538 C1548 W1553 G1554G1538-P1573 VanDerWaalsContact CA-O 3.24Å; G1538-P1573 WeakPolarHBondContact CA-O 3.41Å; G1538-P1573 PolarHBondContact N-O 2.83Å; C1548-P1573 HydrophobicContact CB-CB 3.89Å; W1553-P1573 VanDerWaalsContact CA-O 3.28Å; W1553-P1573 WeakPolarHBondContact CA-O 3.02Å; G1554-P1573 PolarHBondContact N-O 3.07Å; G1554-P1573 VanDerWaalsContact N-O 3.09Å
1574K77.8Confident73.4Confident125 Ų12559.3 Ų59.354%0.54330%0.304SS..THydrogen-bonded Turntrans-92.6-41.6175-70.4179175.1169.50112.3P1537 D1572P1537-K1574 HydrophobicContact CB-CB 4.35Å; P1537-K1574 HydrophobicContact CB-CG 4.45Å; P1537-K1574 WeakPolarHBondContact O-CG 3.49Å; D1572-K1574 PolarHBondContact O-N 2.84Å; D1572-K1574 WeakPolarHBondContact OD1-CA 3.46Å; D1572-K1574 WeakPolarHBondContact OD1-CB 3.48Å; D1572-K1574 PolarHBondContact OD1-N 2.83Å
1575T79.2Confident74Confident88 Ų8855.4 Ų55.454%0.5429%0.292SS..THydrogen-bonded Turntrans-112.8-7.6-167.662.80000114.5W1553 D1572 R1577W1553-T1575 VanDerWaalsContact CE3-C 3.44Å; D1572-T1575 WeakPolarHBondContact CB-OG1 3.35Å; D1572-T1575 PolarHBondContact O-N 2.71Å; D1572-T1575 PolarHBondContact OD1-N 3.43Å; D1572-T1575 PolarHBondContact OD1-OG1 2.04Å; T1575-R1577 PolarHBondContact O-N 2.81Å; T1575-R1577 VanDerWaalsContact O-N 3.07Å
1576G72.9Confident74.2Confident10 Ų1053.8 Ų53.810%0.10329%0.289CS..  trans77-18.4179.500000114.9W1553 C1571 D1572 C1578W1553-G1576 VanDerWaalsContact CE3-N 3.29Å; W1553-G1576 VanDerWaalsContact CG-CA 3.42Å; C1571-G1576 WeakPolarHBondContact CB-O 3.43Å; D1572-G1576 WeakPolarHBondContact O-CA 3.4Å; D1572-G1576 PolarHBondContact O-N 3.07Å; G1576-C1578 PolarHBondContact O-N 3.47Å
1577R79.3Confident74.4Confident147 Ų14759 Ų5956%0.55531%0.311SS*.  trans-51.9125.2-175.9-172.6173.6-176.1163.44.7111.7C1571 D1572 T1575C1571-R1577 CarbonylContact C-O 3.49Å; C1571-R1577 WeakPolarHBondContact CA-O 3.44Å; D1572-R1577 PolarHBondContact N-O 2.82Å; T1575-R1577 PolarHBondContact O-N 2.81Å; T1575-R1577 VanDerWaalsContact O-N 3.07Å
1578C77.7Confident75Confident10 Ų1060.8 Ų60.87%0.06832%0.315CS..EExtended strand (participates in β ladder)trans-67152.5-178.7-61.30000112.2C1563 G1576 E1587 C1589C1563-C1578 VanDerWaalsContact CA-SG 3.51Å; C1563-C1578 HydrophobicContact CB-CB 3.73Å; C1563-C1578 WeakPolarHBondContact CB-SG 3.49Å; C1563-C1578 VanDerWaalsContact SG-CA 3.54Å; C1563-C1578 WeakPolarHBondContact SG-CB 3.26Å; C1563-C1578 CovalentContact SG-SG 2.03Å; C1563-C1578 PolarHBondContact SG-SG 3.11Å; G1576-C1578 PolarHBondContact O-N 3.47Å; C1578-E1587 WeakPolarHBondContact CB-O 3.23Å; C1578-E1587 PolarHBondContact SG-O 2.97Å; C1578-E1587 VanDerWaalsContact SG-O 3.41Å; C1578-C1589 VanDerWaalsContact CB-SG 3.58Å
1579R77Confident76.1Confident125 Ų12554.8 Ų54.847%0.47228%0.277SS..EExtended strand (participates in β ladder)trans-113.3105.8171.5-69.9-170.6179.7-149.91.7109.8S1566 Q1567 G1570S1566-R1579 CarbonylContact C-O 3.51Å; S1566-R1579 VanDerWaalsContact CA-O 3.24Å; S1566-R1579 WeakPolarHBondContact CA-O 3.33Å; S1566-R1579 WeakPolarHBondContact CB-O 3.5Å; Q1567-R1579 HydrophobicContact CB-CB 4.47Å; Q1567-R1579 PolarHBondContact N-O 3.43Å; G1570-R1579 PolarHBondContact O-N 2.69Å
1580C78.5Confident77.2Confident4 Ų456.2 Ų56.23%0.02728%0.277CS..EExtended strand (participates in β ladder)trans-71.3147.1-172.9-47.60000112.1Q1567 Y1584 C1589Q1567-C1580 WeakPolarHBondContact CG-O 3.24Å; Q1567-C1580 PolarHBondContact NE2-O 3.37Å; C1580-Y1584 VanDerWaalsContact CB-O 3.26Å; C1580-Y1584 WeakPolarHBondContact CB-O 3.36Å; C1580-C1589 WeakPolarHBondContact CA-SG 3.19Å; C1580-C1589 HydrophobicContact CB-CB 3.67Å; C1580-C1589 WeakPolarHBondContact CB-SG 3.44Å; C1580-C1589 PolarHBondContact N-SG 2.83Å; C1580-C1589 WeakPolarHBondContact SG-CB 3.42Å; C1580-C1589 CovalentContact SG-SG 2.04Å; C1580-C1589 PolarHBondContact SG-SG 3.18Å
1581K76.7Confident77.7Confident90 Ų9061 Ų6139%0.39130%0.297SS..PPolyproline II helixtrans-60.4159.3160.2-73167.4-169.9176.60109.7N1565 S1566 G1583 Y1584N1565-K1581 VanDerWaalsContact O-CB 3.27Å; N1565-K1581 WeakPolarHBondContact O-CB 3.48Å; N1565-K1581 WeakPolarHBondContact O-CD 3.19Å; N1565-K1581 WeakPolarHBondContact O-CG 3.1Å; N1565-K1581 PolarHBondContact O-N 3.37Å; S1566-K1581 WeakPolarHBondContact O-CE 3.14Å; K1581-G1583 PolarHBondContact O-N 3.18Å; K1581-Y1584 HydrophobicContact CB-CD2 3.86Å; K1581-Y1584 HydrophobicContact CB-CE2 4.34Å; K1581-Y1584 PolarHBondContact O-N 3.16Å
1582P78.8Confident77.8Confident61 Ų6164.4 Ų64.440%0.39632%0.317SS..THydrogen-bonded Turntrans-48.8141.1163.5-24.935000110.8Y1584 G1599 E1615P1582-Y1584 VanDerWaalsContact O-CD2 3.31Å; P1582-Y1584 WeakPolarHBondContact O-CD2 3.02Å; P1582-G1599 WeakPolarHBondContact CA-O 3.37Å; P1582-E1615 WeakPolarHBondContact O-CG 3.45Å
1583G78.4Confident77.9Confident0 Ų062.8 Ų62.80%031%0.309CS..THydrogen-bonded Turntrans85.8-1.2-179.400000116.2K1581 C1593 G1599 F1614K1581-G1583 PolarHBondContact O-N 3.18Å; G1583-C1593 WeakPolarHBondContact CA-SG 3.31Å; G1583-C1593 PolarHBondContact O-N 2.86Å; G1583-C1593 PolarHBondContact O-SG 3.12Å; G1583-C1593 VanDerWaalsContact O-SG 3.37Å; G1583-G1599 PolarHBondContact N-O 2.78Å; G1583-F1614 WeakPolarHBondContact CA-O 3.49Å
1584Y84.2Confident78.1Confident34 Ų3463.9 Ų63.913%0.13332%0.316CS..EExtended strand (participates in β ladder)trans-127.6150.5-179.5-59.6-89.3000112.9N1565 C1580 K1581 P1582 E1591 V1592 F1614N1565-Y1584 HydrophobicContact CB-CD1 3.59Å; N1565-Y1584 HydrophobicContact CB-CD2 3.91Å; N1565-Y1584 HydrophobicContact CB-CE1 3.83Å; N1565-Y1584 HydrophobicContact CB-CE2 4.15Å; N1565-Y1584 HydrophobicContact CB-CG 3.62Å; N1565-Y1584 VanDerWaalsContact CG-CE1 3.42Å; N1565-Y1584 WeakPolarHBondContact ND2-CD1 3.35Å; N1565-Y1584 WeakPolarHBondContact ND2-CE1 3.31Å; C1580-Y1584 VanDerWaalsContact CB-O 3.26Å; C1580-Y1584 WeakPolarHBondContact CB-O 3.36Å; K1581-Y1584 HydrophobicContact CB-CD2 3.86Å; K1581-Y1584 HydrophobicContact CB-CE2 4.34Å; K1581-Y1584 PolarHBondContact O-N 3.16Å; P1582-Y1584 VanDerWaalsContact O-CD2 3.31Å; P1582-Y1584 WeakPolarHBondContact O-CD2 3.02Å; Y1584-E1591 CarbonylContact C-O 3.37Å; Y1584-E1591 VanDerWaalsContact CA-O 3.24Å; Y1584-E1591 WeakPolarHBondContact CA-O 3.46Å; Y1584-V1592 HydrophobicContact CD1-CG2 4.35Å; Y1584-V1592 HydrophobicContact CE1-CG2 4.08Å; Y1584-F1614 HydrophobicContact CE2-CE2 4.31Å
1585T81Confident78.1Confident36 Ų3667.6 Ų67.622%0.22133%0.327CS..EExtended strand (participates in β ladder)trans-148.6-178.1179.7-173.60000110.5C1589 E1590 E1591T1585-C1589 CarbonylContact O-C 3.51Å; T1585-C1589 VanDerWaalsContact O-C 3.31Å; T1585-C1589 WeakPolarHBondContact O-CA 3.26Å; T1585-E1590 PolarHBondContact O-N 2.03Å; T1585-E1591 HydrophobicContact CG2-CB 3.78Å; T1585-E1591 PolarHBondContact N-O 2.03Å; T1585-E1591 WeakPolarHBondContact O-CA 3.42Å; T1585-E1591 WeakPolarHBondContact O-CB 3.41Å; T1585-E1591 PolarHBondContact O-N 3.26Å
1586G73.8Confident78.1Confident25 Ų2564.4 Ų64.426%0.25831%0.311SS..SBendtrans98.4163.8-172.100000113R1588 C1589 E1590G1586-R1588 VanDerWaalsContact C-N 3.31Å; G1586-R1588 PolarHBondContact O-N 2.03Å; G1586-C1589 PolarHBondContact O-N 3Å; G1586-E1590 VanDerWaalsContact C-OE2 3.23Å; G1586-E1590 VanDerWaalsContact CA-OE2 3.3Å; G1586-E1590 WeakPolarHBondContact CA-OE2 3.05Å
1587E71.4Confident78.6Confident138 Ų13869.5 Ų69.565%0.64533%0.328SS*.THydrogen-bonded Turntrans-65.2-33.2-177.2-80.9-76109.300112.5C1578 E1590C1578-E1587 WeakPolarHBondContact CB-O 3.23Å; C1578-E1587 PolarHBondContact SG-O 2.97Å; C1578-E1587 VanDerWaalsContact SG-O 3.41Å; E1587-E1590 PolarHBondContact N-OE2 3.37Å
1588R78.7Confident78.9Confident86 Ų8664.3 Ų64.333%0.32531%0.31SS..THydrogen-bonded Turntrans-103.98.8175-52.9166.869.1-176.47.3111.9D1562 C1563 Y1564 G1586 E1590D1562-R1588 WeakPolarHBondContact O-CB 3.34Å; D1562-R1588 WeakPolarHBondContact O-CG 3.48Å; D1562-R1588 IonicContact OD1-CZ 3.85Å; D1562-R1588 IonicContact OD1-NE 2.66Å; D1562-R1588 PolarHBondContact OD1-NE 3Å; D1562-R1588 IonicContact OD1-NH2 2.62Å; D1562-R1588 PolarHBondContact OD1-NH2 2.65Å; D1562-R1588 IonicContact OD2-CZ 3.41Å; D1562-R1588 IonicContact OD2-NE 2.88Å; D1562-R1588 PolarHBondContact OD2-NE 3Å; D1562-R1588 VanDerWaalsContact OD2-NE 3.15Å; D1562-R1588 IonicContact OD2-NH2 3.71Å; D1562-R1588 PolarHBondContact OD2-NH2 3.14Å; C1563-R1588 CarbonylContact C-O 3.47Å; Y1564-R1588 HydrophobicContact CD2-CB 4.17Å; Y1564-R1588 PolarHBondContact N-O 3.08Å; Y1564-R1588 PolarHBondContact OH-NH2 3.47Å; Y1564-R1588 VanDerWaalsContact OH-NH2 3.16Å; G1586-R1588 VanDerWaalsContact C-N 3.31Å; G1586-R1588 PolarHBondContact O-N 2.03Å; R1588-E1590 WeakPolarHBondContact CA-OE2 3.01Å; R1588-E1590 VanDerWaalsContact CB-OE1 3.31Å; R1588-E1590 WeakPolarHBondContact CB-OE1 3.25Å; R1588-E1590 WeakPolarHBondContact CG-OE1 3.02Å; R1588-E1590 PolarHBondContact N-OE1 2.95Å; R1588-E1590 PolarHBondContact N-OE2 3.19Å; R1588-E1590 PolarHBondContact O-N 3.08Å
1589C82.2Confident78.6Confident0 Ų064 Ų640%031%0.309CS..SBendtrans57.136.5-172.4-55.50000113.1Y1564 N1565 C1578 C1580 T1585 G1586Y1564-C1589 VanDerWaalsContact O-CB 3.24Å; Y1564-C1589 WeakPolarHBondContact O-CB 3.32Å; N1565-C1589 PolarHBondContact ND2-O 3.39Å; C1578-C1589 VanDerWaalsContact CB-SG 3.58Å; C1580-C1589 WeakPolarHBondContact CA-SG 3.19Å; C1580-C1589 HydrophobicContact CB-CB 3.67Å; C1580-C1589 WeakPolarHBondContact CB-SG 3.44Å; C1580-C1589 PolarHBondContact N-SG 2.83Å; C1580-C1589 WeakPolarHBondContact SG-CB 3.42Å; C1580-C1589 CovalentContact SG-SG 2.04Å; C1580-C1589 PolarHBondContact SG-SG 3.18Å; T1585-C1589 CarbonylContact O-C 3.51Å; T1585-C1589 VanDerWaalsContact O-C 3.31Å; T1585-C1589 WeakPolarHBondContact O-CA 3.26Å; G1586-C1589 PolarHBondContact O-N 3Å
1590E77.8Confident78.4Confident83 Ų8363.1 Ų63.139%0.38831%0.31SS..  trans-83.6-23.7-179.462.7-86.4-10300113.7Y1564 T1585 G1586 E1587 R1588Y1564-E1590 HydrophobicContact CD2-CB 4.06Å; T1585-E1590 PolarHBondContact O-N 2.03Å; G1586-E1590 VanDerWaalsContact C-OE2 3.23Å; G1586-E1590 VanDerWaalsContact CA-OE2 3.3Å; G1586-E1590 WeakPolarHBondContact CA-OE2 3.05Å; E1587-E1590 PolarHBondContact N-OE2 3.37Å; R1588-E1590 WeakPolarHBondContact CA-OE2 3.01Å; R1588-E1590 VanDerWaalsContact CB-OE1 3.31Å; R1588-E1590 WeakPolarHBondContact CB-OE1 3.25Å; R1588-E1590 WeakPolarHBondContact CG-OE1 3.02Å; R1588-E1590 PolarHBondContact N-OE1 2.95Å; R1588-E1590 PolarHBondContact N-OE2 3.19Å; R1588-E1590 PolarHBondContact O-N 3.08Å
1591E76.9Confident78.2Confident112 Ų11267.1 Ų67.152%0.52333%0.329SS..EExtended strand (participates in β ladder)trans-88.6140.8-177.2-53.6-176.715000111.3Y1584 T1585Y1584-E1591 CarbonylContact C-O 3.37Å; Y1584-E1591 VanDerWaalsContact CA-O 3.24Å; Y1584-E1591 WeakPolarHBondContact CA-O 3.46Å; T1585-E1591 HydrophobicContact CG2-CB 3.78Å; T1585-E1591 PolarHBondContact N-O 2.03Å; T1585-E1591 WeakPolarHBondContact O-CA 3.42Å; T1585-E1591 WeakPolarHBondContact O-CB 3.41Å; T1585-E1591 PolarHBondContact O-N 3.26Å
1592V81.3Confident78.5Confident79 Ų7963.5 Ų63.548%0.47932%0.315SS..EExtended strand (participates in β ladder)trans-86.9148.5167.7-174.80000108.6Y1584 F1614Y1584-V1592 HydrophobicContact CD1-CG2 4.35Å; Y1584-V1592 HydrophobicContact CE1-CG2 4.08Å; V1592-F1614 HydrophobicContact CG1-CB 3.92Å; V1592-F1614 HydrophobicContact CG1-CD1 4.08Å; V1592-F1614 HydrophobicContact CG1-CD2 3.69Å; V1592-F1614 HydrophobicContact CG1-CE2 4.26Å; V1592-F1614 HydrophobicContact CG1-CG 3.61Å
1593C81.4Confident78.5Confident14 Ų1464.7 Ų64.710%0.09533%0.33CS..PPolyproline II helixtrans-53.5138.1-177.4-68.90000113.9G1583 Y1597 C1602 F1614G1583-C1593 WeakPolarHBondContact CA-SG 3.31Å; G1583-C1593 PolarHBondContact O-N 2.86Å; G1583-C1593 PolarHBondContact O-SG 3.12Å; G1583-C1593 VanDerWaalsContact O-SG 3.37Å; C1593-Y1597 WeakPolarHBondContact CB-O 3.46Å; C1593-C1602 WeakPolarHBondContact CA-SG 3.41Å; C1593-C1602 HydrophobicContact CB-CB 3.8Å; C1593-C1602 WeakPolarHBondContact CB-SG 2.99Å; C1593-C1602 WeakPolarHBondContact SG-CA 3.24Å; C1593-C1602 WeakPolarHBondContact SG-CB 3.08Å; C1593-C1602 CovalentContact SG-SG 2.03Å; C1593-C1602 PolarHBondContact SG-SG 3.29Å; C1593-F1614 HydrophobicContact CB-CB 4.12Å
1594P75.6Confident78.6Confident74 Ų7469.5 Ų69.548%0.48135%0.353SS..PPolyproline II helixtrans-56.7153.6175.9-24.933.9000112.6G1596 Y1597P1594-G1596 PolarHBondContact O-N 2.84Å; P1594-Y1597 HydrophobicContact CB-CD2 4.1Å; P1594-Y1597 PolarHBondContact O-N 2.79Å
1595R77.9Confident78.4Confident203 Ų20370.5 Ų70.577%0.76637%0.368SS*.THydrogen-bonded Turntrans-48.3126171.6-88.1178.4152164.9-8.1110.4E1611R1595-E1611 IonicContact CZ-OE1 3.71Å; R1595-E1611 IonicContact NE-OE1 3.99Å; R1595-E1611 PolarHBondContact NE-OE1 3.45Å; R1595-E1611 IonicContact NH2-OE1 2.7Å; R1595-E1611 PolarHBondContact NH2-OE1 3.02Å
1596G78Confident78.1Confident21 Ų2169.8 Ų69.822%0.21636%0.364CS..THydrogen-bonded Turntrans93.41.5-175.900000115.5P1594 A1605 C1606P1594-G1596 PolarHBondContact O-N 2.84Å; G1596-A1605 CarbonylContact O-C 3.51Å; G1596-A1605 VanDerWaalsContact O-CA 3.31Å; G1596-A1605 WeakPolarHBondContact O-CA 3.32Å; G1596-C1606 VanDerWaalsContact CA-SG 3.54Å; G1596-C1606 PolarHBondContact O-N 2.93Å; G1596-C1606 PolarHBondContact O-SG 3.34Å
1597Y85Confident77.8Confident117 Ų11775.6 Ų75.646%0.45938%0.384SS..EExtended strand (participates in β ladder)trans-130.2152-177.3-63.5-94.3000114.1C1593 P1594 C1602 Q1604 A1605C1593-Y1597 WeakPolarHBondContact CB-O 3.46Å; P1594-Y1597 HydrophobicContact CB-CD2 4.1Å; P1594-Y1597 PolarHBondContact O-N 2.79Å; Y1597-C1602 WeakPolarHBondContact CD1-O 3.31Å; Y1597-Q1604 CarbonylContact C-O 3.54Å; Y1597-Q1604 VanDerWaalsContact CA-O 3.31Å; Y1597-Q1604 WeakPolarHBondContact CA-O 3.31Å; Y1597-A1605 HydrophobicContact CD1-CB 4.41Å; Y1597-A1605 HydrophobicContact CE1-CB 4.33Å
1598F85.5Confident77.8Confident39 Ų3976.5 Ų76.517%0.17139%0.388CS..EExtended strand (participates in β ladder)trans-149.7175.6178.276.3-84.2000112.3C1602 Q1604 A1605 F1614 G1617F1598-C1602 CarbonylContact O-C 3.47Å; F1598-C1602 WeakPolarHBondContact O-CA 3.46Å; F1598-Q1604 HydrophobicContact CD1-CB 3.93Å; F1598-Q1604 WeakPolarHBondContact CD1-O 3.36Å; F1598-Q1604 HydrophobicContact CD2-CB 4.19Å; F1598-Q1604 HydrophobicContact CE1-CB 3.71Å; F1598-Q1604 HydrophobicContact CE2-CB 3.99Å; F1598-Q1604 HydrophobicContact CG-CB 4.17Å; F1598-Q1604 HydrophobicContact CZ-CB 3.75Å; F1598-Q1604 PolarHBondContact N-O 3.31Å; F1598-Q1604 WeakPolarHBondContact O-CB 3.45Å; F1598-Q1604 PolarHBondContact O-N 3.37Å; F1598-Q1604 VanDerWaalsContact O-N 3.16Å; F1598-A1605 WeakPolarHBondContact CE1-O 3.45Å; F1598-F1614 WeakPolarHBondContact CA-O 3.36Å; F1598-F1614 WeakPolarHBondContact CB-O 3.44Å; F1598-G1617 VanDerWaalsContact CD2-CA 3.47Å; F1598-G1617 VanDerWaalsContact CD2-N 3.35Å; F1598-G1617 VanDerWaalsContact CG-CA 3.42Å
1599G71.3Confident77.4Confident4 Ų473.9 Ų73.94%0.04138%0.383CS..SBendtrans86.6-173171.400000115P1582 G1583 M1601 C1602 F1614P1582-G1599 WeakPolarHBondContact CA-O 3.37Å; G1583-G1599 PolarHBondContact N-O 2.78Å; G1599-M1601 PolarHBondContact O-N 2.8Å; G1599-C1602 PolarHBondContact O-N 2.72Å; G1599-C1602 VanDerWaalsContact O-N 3.12Å; G1599-F1614 PolarHBondContact N-O 3.46Å
1600E73Confident76.7Confident105 Ų10582.7 Ų82.749%0.49142%0.424SS..G310 helixtrans-64.3125.3-177.9-170.2175.9-147.900110.9Q1567 C1602 A1603Q1567-E1600 PolarHBondContact NE2-OE1 2.87Å; E1600-C1602 PolarHBondContact O-N 2.95Å; E1600-C1602 VanDerWaalsContact O-N 3.08Å; E1600-A1603 WeakPolarHBondContact O-CB 3.37Å; E1600-A1603 PolarHBondContact O-N 3.2Å
1601M74.3Confident76.3Confident89 Ų8982.9 Ų82.944%0.43843%0.425SS..G310 helixtrans48.530.4-170.9-57.7-172.9-174.200113.9G1599 A1603G1599-M1601 PolarHBondContact O-N 2.8Å; M1601-A1603 PolarHBondContact O-N 2.94Å; M1601-A1603 VanDerWaalsContact O-N 3.14Å
1602C81.8Confident76.4Confident14 Ų1478.1 Ų78.110%0.09540%0.404CS..G310 helixtrans58.524.2178.9-47.70000114.8C1593 Y1597 F1598 G1599 E1600 Q1604C1593-C1602 WeakPolarHBondContact CA-SG 3.41Å; C1593-C1602 HydrophobicContact CB-CB 3.8Å; C1593-C1602 WeakPolarHBondContact CB-SG 2.99Å; C1593-C1602 WeakPolarHBondContact SG-CA 3.24Å; C1593-C1602 WeakPolarHBondContact SG-CB 3.08Å; C1593-C1602 CovalentContact SG-SG 2.03Å; C1593-C1602 PolarHBondContact SG-SG 3.29Å; Y1597-C1602 WeakPolarHBondContact CD1-O 3.31Å; F1598-C1602 CarbonylContact O-C 3.47Å; F1598-C1602 WeakPolarHBondContact O-CA 3.46Å; G1599-C1602 PolarHBondContact O-N 2.72Å; G1599-C1602 VanDerWaalsContact O-N 3.12Å; E1600-C1602 PolarHBondContact O-N 2.95Å; E1600-C1602 VanDerWaalsContact O-N 3.08Å; C1602-Q1604 PolarHBondContact O-N 3.17Å; C1602-Q1604 VanDerWaalsContact O-N 3.08Å
1603A78.9Confident76.2Confident86 Ų8677.1 Ų77.171%0.71139%0.394SS*.  trans-72.11.9-172.900000115.2E1600 M1601E1600-A1603 WeakPolarHBondContact O-CB 3.37Å; E1600-A1603 PolarHBondContact O-N 3.2Å; M1601-A1603 PolarHBondContact O-N 2.94Å; M1601-A1603 VanDerWaalsContact O-N 3.14Å
1604Q79.8Confident76.1Confident101 Ų10179.3 Ų79.347%0.47240%0.402SS..EExtended strand (participates in β ladder)trans-123.6129.4-175.4-58.9174.4-36.100110.1Y1597 F1598 C1602Y1597-Q1604 CarbonylContact C-O 3.54Å; Y1597-Q1604 VanDerWaalsContact CA-O 3.31Å; Y1597-Q1604 WeakPolarHBondContact CA-O 3.31Å; F1598-Q1604 HydrophobicContact CD1-CB 3.93Å; F1598-Q1604 WeakPolarHBondContact CD1-O 3.36Å; F1598-Q1604 HydrophobicContact CD2-CB 4.19Å; F1598-Q1604 HydrophobicContact CE1-CB 3.71Å; F1598-Q1604 HydrophobicContact CE2-CB 3.99Å; F1598-Q1604 HydrophobicContact CG-CB 4.17Å; F1598-Q1604 HydrophobicContact CZ-CB 3.75Å; F1598-Q1604 PolarHBondContact N-O 3.31Å; F1598-Q1604 WeakPolarHBondContact O-CB 3.45Å; F1598-Q1604 PolarHBondContact O-N 3.37Å; F1598-Q1604 VanDerWaalsContact O-N 3.16Å; C1602-Q1604 PolarHBondContact O-N 3.17Å; C1602-Q1604 VanDerWaalsContact O-N 3.08Å
1605A81Confident76.1Confident54 Ų5479.8 Ų79.845%0.44640%0.398SS..EExtended strand (participates in β ladder)trans-91.3142.8178.200000111.7G1596 Y1597 F1598 Q1607G1596-A1605 CarbonylContact O-C 3.51Å; G1596-A1605 VanDerWaalsContact O-CA 3.31Å; G1596-A1605 WeakPolarHBondContact O-CA 3.32Å; Y1597-A1605 HydrophobicContact CD1-CB 4.41Å; Y1597-A1605 HydrophobicContact CE1-CB 4.33Å; F1598-A1605 WeakPolarHBondContact CE1-O 3.45Å; A1605-Q1607 PolarHBondContact O-N 2.91Å
1606C75.3Confident76.1Confident21 Ų2173.9 Ų73.914%0.14239%0.385CS..  trans-55127.9175.6-61.90000110.7G1596 C1612G1596-C1606 VanDerWaalsContact CA-SG 3.54Å; G1596-C1606 PolarHBondContact O-N 2.93Å; G1596-C1606 PolarHBondContact O-SG 3.34Å; C1606-C1612 VanDerWaalsContact CA-SG 3.57Å; C1606-C1612 HydrophobicContact CB-CB 3.79Å; C1606-C1612 WeakPolarHBondContact CB-SG 3.48Å; C1606-C1612 WeakPolarHBondContact SG-CB 3.08Å; C1606-C1612 PolarHBondContact SG-N 2.04Å; C1606-C1612 CovalentContact SG-SG 2.03Å; C1606-C1612 PolarHBondContact SG-SG 2.84Å
1607Q65.7Low75.9Confident147 Ų14773.7 Ų73.769%0.68738%0.383SS*.SBendtrans-106.6128.2175.8-63.7-171.5-6.600110A1605A1605-Q1607 PolarHBondContact O-N 2.91Å
1608H71.9Confident75.4Confident157 Ų15775 Ų7573%0.72739%0.393SS*.SBendtrans76.58.3177.9-40.393.5000117.6T1629H1608-T1629 HydrophobicContact CB-CG2 4.14Å
1609C70.6Confident74.9Confident32 Ų3274.3 Ų74.322%0.21639%0.393CS..SBendtrans-154.9154.2172.252.40000112.6C1619C1609-C1619 HydrophobicContact CB-CB 3.69Å; C1609-C1619 WeakPolarHBondContact CB-SG 3.24Å; C1609-C1619 WeakPolarHBondContact SG-CA 3.05Å; C1609-C1619 WeakPolarHBondContact SG-CB 3.49Å; C1609-C1619 CovalentContact SG-SG 2.03Å; C1609-C1619 PolarHBondContact SG-SG 3.18Å
1610E66.5Low74.7Confident184 Ų18478.8 Ų78.886%0.8642%0.415SS*.SBendtrans-74.8-30.4177.7-63.8-176.6138.500112.9
1611E70.1Confident74.7Confident87 Ų8775.4 Ų75.441%0.40740%0.403SS..  trans-125.3120.5175-66.3-167.1126.300111R1595 L1620R1595-E1611 IonicContact CZ-OE1 3.71Å; R1595-E1611 IonicContact NE-OE1 3.99Å; R1595-E1611 PolarHBondContact NE-OE1 3.45Å; R1595-E1611 IonicContact NH2-OE1 2.7Å; R1595-E1611 PolarHBondContact NH2-OE1 3.02Å; E1611-L1620 PolarHBondContact O-N 2.62Å
1612C78.9Confident74.3Confident13 Ų1374.4 Ų74.49%0.08841%0.409CS..BIsolated β-bridgetrans-127.5160.4170.977.90000111.2C1606 F1614 G1617 Q1618C1606-C1612 VanDerWaalsContact CA-SG 3.57Å; C1606-C1612 HydrophobicContact CB-CB 3.79Å; C1606-C1612 WeakPolarHBondContact CB-SG 3.48Å; C1606-C1612 WeakPolarHBondContact SG-CB 3.08Å; C1606-C1612 PolarHBondContact SG-N 2.04Å; C1606-C1612 CovalentContact SG-SG 2.03Å; C1606-C1612 PolarHBondContact SG-SG 2.84Å; C1612-F1614 PolarHBondContact O-N 2.03Å; C1612-G1617 WeakPolarHBondContact CB-O 3.06Å; C1612-Q1618 CarbonylContact C-O 3.6Å; C1612-Q1618 WeakPolarHBondContact CA-O 3.46Å
1613H78.4Confident73.6Confident57 Ų5778.4 Ų78.426%0.26443%0.428SS..  trans-70.4119.1-176.3-173.6-98000111.2E1615 T1616 G1617 Q1618 L1620H1613-E1615 VanDerWaalsContact C-N 3.27Å; H1613-E1615 PolarHBondContact O-N 3.48Å; H1613-E1615 VanDerWaalsContact O-N 3.11Å; H1613-T1616 WeakPolarHBondContact CB-OG1 3.07Å; H1613-T1616 PolarHBondContact ND1-OG1 2.7Å; H1613-T1616 PolarHBondContact O-N 2.71Å; H1613-G1617 PolarHBondContact O-N 3.02Å; H1613-Q1618 WeakPolarHBondContact CB-O 3.33Å; H1613-Q1618 PolarHBondContact N-O 3.33Å; H1613-L1620 HydrophobicContact CB-CD2 4.17Å
1614F78.3Confident73.2Confident61 Ų6174.4 Ų74.427%0.26840%0.396SS..THydrogen-bonded Turntrans-50.2-36-172.657.8-81.6000114.9G1583 Y1584 V1592 C1593 F1598 G1599 C1612G1583-F1614 WeakPolarHBondContact CA-O 3.49Å; Y1584-F1614 HydrophobicContact CE2-CE2 4.31Å; V1592-F1614 HydrophobicContact CG1-CB 3.92Å; V1592-F1614 HydrophobicContact CG1-CD1 4.08Å; V1592-F1614 HydrophobicContact CG1-CD2 3.69Å; V1592-F1614 HydrophobicContact CG1-CE2 4.26Å; V1592-F1614 HydrophobicContact CG1-CG 3.61Å; C1593-F1614 HydrophobicContact CB-CB 4.12Å; F1598-F1614 WeakPolarHBondContact CA-O 3.36Å; F1598-F1614 WeakPolarHBondContact CB-O 3.44Å; G1599-F1614 PolarHBondContact N-O 3.46Å; C1612-F1614 PolarHBondContact O-N 2.03Å
1615E75.5Confident73Confident83 Ų8373 Ų7339%0.38839%0.389SS..THydrogen-bonded Turntrans-79.4-27.5176.6-89.1178171.600114.5P1582 H1613P1582-E1615 WeakPolarHBondContact O-CG 3.45Å; H1613-E1615 VanDerWaalsContact C-N 3.27Å; H1613-E1615 PolarHBondContact O-N 3.48Å; H1613-E1615 VanDerWaalsContact O-N 3.11Å
1616T77.1Confident72.7Confident80 Ų8073.6 Ų73.649%0.49138%0.383SS..THydrogen-bonded Turntrans-131.3-10-159.761.20000115.9H1613 Q1618H1613-T1616 WeakPolarHBondContact CB-OG1 3.07Å; H1613-T1616 PolarHBondContact ND1-OG1 2.7Å; H1613-T1616 PolarHBondContact O-N 2.71Å; T1616-Q1618 PolarHBondContact O-N 3.36Å
1617G75.2Confident72.4Confident17 Ų1774.4 Ų74.418%0.17539%0.394CS..  trans74.25.3-178.700000115.1F1598 C1612 H1613F1598-G1617 VanDerWaalsContact CD2-CA 3.47Å; F1598-G1617 VanDerWaalsContact CD2-N 3.35Å; F1598-G1617 VanDerWaalsContact CG-CA 3.42Å; C1612-G1617 WeakPolarHBondContact CB-O 3.06Å; H1613-G1617 PolarHBondContact O-N 3.02Å
1618Q73.9Confident72.3Confident144 Ų14476 Ų7667%0.67340%0.401SS*.  trans-84.5128.2-174.1-166.6172.218.700111.8C1612 H1613 T1616C1612-Q1618 CarbonylContact C-O 3.6Å; C1612-Q1618 WeakPolarHBondContact CA-O 3.46Å; H1613-Q1618 WeakPolarHBondContact CB-O 3.33Å; H1613-Q1618 PolarHBondContact N-O 3.33Å; T1616-Q1618 PolarHBondContact O-N 3.36Å
1619C75.4Confident72.3Confident25 Ų2573.1 Ų73.117%0.16940%0.395CS..BIsolated β-bridgetrans-61.4137.6-174.3-61.60000114C1609 E1628C1609-C1619 HydrophobicContact CB-CB 3.69Å; C1609-C1619 WeakPolarHBondContact CB-SG 3.24Å; C1609-C1619 WeakPolarHBondContact SG-CA 3.05Å; C1609-C1619 WeakPolarHBondContact SG-CB 3.49Å; C1609-C1619 CovalentContact SG-SG 2.03Å; C1609-C1619 PolarHBondContact SG-SG 3.18Å; C1619-E1628 PolarHBondContact SG-O 2.82Å
1620L67.6Low72.3Confident98 Ų9872.8 Ų72.851%0.51339%0.393SS..  trans-95.6106.4-176.9-66.1173.8000110.9E1611 H1613E1611-L1620 PolarHBondContact O-N 2.62Å; H1613-L1620 HydrophobicContact CB-CD2 4.17Å
1621C72.3Confident72.7Confident34 Ų3467 Ų6723%0.2338%0.383CS..PPolyproline II helixtrans-91.6141-176.9-53.60000113.4H1625 C1630C1621-H1625 HydrophobicContact CB-CB 4.19Å; C1621-C1630 WeakPolarHBondContact CA-SG 3.42Å; C1621-C1630 HydrophobicContact CB-CB 3.7Å; C1621-C1630 WeakPolarHBondContact CB-SG 3.05Å; C1621-C1630 WeakPolarHBondContact SG-CA 3.36Å; C1621-C1630 WeakPolarHBondContact SG-CB 3.48Å; C1621-C1630 CovalentContact SG-SG 2.04Å; C1621-C1630 PolarHBondContact SG-SG 3.43Å
1622A66.9Low72.8Confident68 Ų6865.5 Ų65.556%0.56238%0.382SS*.PPolyproline II helixtrans-60.5154.3174.400000112.8G1624 H1625A1622-G1624 PolarHBondContact O-N 3.04Å; A1622-G1624 VanDerWaalsContact O-N 3.15Å; A1622-H1625 WeakPolarHBondContact O-CB 3.48Å; A1622-H1625 PolarHBondContact O-N 3.28Å
1623L66.2Low72.7Confident97 Ų9770.6 Ų70.651%0.50841%0.407SS..THydrogen-bonded Turntrans-58.2117.8178.2-76.8169.1000111.6V1641L1623-V1641 HydrophobicContact CD2-CG1 4.14Å
1624G69.7Low72.7Confident3 Ų368.5 Ų68.53%0.03140%0.399CS..THydrogen-bonded Turntrans101.1-0.7-173.100000114.7A1622 I1633 C1634 A1657A1622-G1624 PolarHBondContact O-N 3.04Å; A1622-G1624 VanDerWaalsContact O-N 3.15Å; G1624-I1633 WeakPolarHBondContact O-CA 3.24Å; G1624-C1634 VanDerWaalsContact C-SG 3.51Å; G1624-C1634 PolarHBondContact O-N 3.04Å; G1624-C1634 PolarHBondContact O-SG 3.12Å; G1624-A1657 WeakPolarHBondContact CA-O 3.35Å
1625H76.9Confident72.8Confident72 Ų7268.6 Ų68.633%0.33341%0.405SS..EExtended strand (participates in β ladder)trans-117.3154.2178-75.2-114.8000113.3C1621 A1622 C1630 S1632C1621-H1625 HydrophobicContact CB-CB 4.19Å; A1622-H1625 WeakPolarHBondContact O-CB 3.48Å; A1622-H1625 PolarHBondContact O-N 3.28Å; H1625-C1630 PolarHBondContact ND1-O 2.85Å; H1625-S1632 CarbonylContact C-O 3.59Å; H1625-S1632 WeakPolarHBondContact CA-O 3.49Å
1626H74.9Confident72.8Confident66 Ų6677 Ų7731%0.30643%0.434SS..EExtended strand (participates in β ladder)trans-151.7176.6175.579.691.4000113.3C1630 S1632 C1643H1626-C1630 CarbonylContact O-C 3.51Å; H1626-C1630 WeakPolarHBondContact O-CA 3.31Å; H1626-S1632 PolarHBondContact N-O 3.2Å; H1626-S1632 VanDerWaalsContact NE2-CB 3.34Å; H1626-S1632 WeakPolarHBondContact NE2-CB 3.3Å; H1626-S1632 WeakPolarHBondContact O-CB 3.33Å; H1626-S1632 PolarHBondContact O-N 3.27Å; H1626-S1632 VanDerWaalsContact O-N 3.09Å; H1626-C1643 VanDerWaalsContact CD2-SG 3.57Å
1627G67.6Low72.8Confident37 Ų3774.5 Ų74.538%0.38142%0.424SS..SBendtrans98.8161.8179.300000112.8T1629 C1630G1627-T1629 PolarHBondContact O-N 3.09Å; G1627-T1629 VanDerWaalsContact O-N 3.11Å; G1627-C1630 PolarHBondContact O-N 3.49Å
1628E65.1Low73.2Confident180 Ų18076.7 Ų76.784%0.84143%0.43SS*.THydrogen-bonded Turntrans-59.1-26.1-173.5-62.4180146.100113.7C1619C1619-E1628 PolarHBondContact SG-O 2.82Å
1629T70.3Confident73.7Confident97 Ų9772.8 Ų72.860%0.59541%0.409SS*.THydrogen-bonded Turntrans-113.914.5176.2570000113H1608 G1627 G1631H1608-T1629 HydrophobicContact CB-CG2 4.14Å; G1627-T1629 PolarHBondContact O-N 3.09Å; G1627-T1629 VanDerWaalsContact O-N 3.11Å; T1629-G1631 PolarHBondContact O-N 3.14Å
1630C71.6Confident73.3Confident25 Ų2572 Ų7217%0.16941%0.405CS..SBendtrans56.111.7-177.1-55.20000116.7C1621 H1625 H1626 G1627 S1632C1621-C1630 WeakPolarHBondContact CA-SG 3.42Å; C1621-C1630 HydrophobicContact CB-CB 3.7Å; C1621-C1630 WeakPolarHBondContact CB-SG 3.05Å; C1621-C1630 WeakPolarHBondContact SG-CA 3.36Å; C1621-C1630 WeakPolarHBondContact SG-CB 3.48Å; C1621-C1630 CovalentContact SG-SG 2.04Å; C1621-C1630 PolarHBondContact SG-SG 3.43Å; H1625-C1630 PolarHBondContact ND1-O 2.85Å; H1626-C1630 CarbonylContact O-C 3.51Å; H1626-C1630 WeakPolarHBondContact O-CA 3.31Å; G1627-C1630 PolarHBondContact O-N 3.49Å; C1630-S1632 VanDerWaalsContact C-N 3.31Å; C1630-S1632 PolarHBondContact O-N 3.43Å
1631G73.7Confident73.4Confident63 Ų6371.9 Ų71.965%0.64941%0.408SS*.  trans-77-2.5-175.800000116.3T1629T1629-G1631 PolarHBondContact O-N 3.14Å
1632S72.4Confident73.4Confident55 Ų5574.8 Ų74.839%0.38543%0.429SS..EExtended strand (participates in β ladder)trans-104.5141.3-179.1-56.40000111.6H1625 H1626 C1630H1625-S1632 CarbonylContact C-O 3.59Å; H1625-S1632 WeakPolarHBondContact CA-O 3.49Å; H1626-S1632 PolarHBondContact N-O 3.2Å; H1626-S1632 VanDerWaalsContact NE2-CB 3.34Å; H1626-S1632 WeakPolarHBondContact NE2-CB 3.3Å; H1626-S1632 WeakPolarHBondContact O-CB 3.33Å; H1626-S1632 PolarHBondContact O-N 3.27Å; H1626-S1632 VanDerWaalsContact O-N 3.09Å; C1630-S1632 VanDerWaalsContact C-N 3.31Å; C1630-S1632 PolarHBondContact O-N 3.43Å
1633I77.5Confident73.9Confident120 Ų12072 Ų7262%0.61541%0.405SS*.EExtended strand (participates in β ladder)trans-98.4144179.7-53.6169000109.3G1624G1624-I1633 WeakPolarHBondContact O-CA 3.24Å
1634C78.4Confident74.5Confident14 Ų1471.2 Ų71.210%0.09541%0.408CS..PPolyproline II helixtrans-57.4138.3-176.3-71.70000114.3G1624 C1643 A1657G1624-C1634 VanDerWaalsContact C-SG 3.51Å; G1624-C1634 PolarHBondContact O-N 3.04Å; G1624-C1634 PolarHBondContact O-SG 3.12Å; C1634-C1643 WeakPolarHBondContact CA-SG 3.01Å; C1634-C1643 HydrophobicContact CB-CB 3.82Å; C1634-C1643 WeakPolarHBondContact CB-SG 3.49Å; C1634-C1643 WeakPolarHBondContact SG-CA 3.44Å; C1634-C1643 WeakPolarHBondContact SG-CB 3.02Å; C1634-C1643 CovalentContact SG-SG 2.04Å; C1634-C1643 PolarHBondContact SG-SG 2.03Å; C1634-A1657 HydrophobicContact CB-CB 4.39Å
1635P79.6Confident74.6Confident62 Ų6276.8 Ų76.840%0.40343%0.431SS..PPolyproline II helixtrans-54.9152173.9-28.335.9000114.1G1637 Q1638P1635-G1637 PolarHBondContact O-N 3.35Å; P1635-Q1638 VanDerWaalsContact CG-OE1 3.32Å; P1635-Q1638 PolarHBondContact O-N 3.15Å
1636R77.1Confident74.8Confident260 Ų26079.8 Ų79.898%0.98145%0.449SS*.THydrogen-bonded Turntrans-55.3123175.7-103.5-177171.8170.2-2.4111
1637G76.7Confident74.9Confident28 Ų2877.7 Ų77.729%0.28944%0.441SS..THydrogen-bonded Turntrans91.51.9-177.900000114.6P1635 L1646 C1647P1635-G1637 PolarHBondContact O-N 3.35Å; G1637-L1646 CarbonylContact O-C 3.54Å; G1637-L1646 WeakPolarHBondContact O-CA 3.3Å; G1637-C1647 PolarHBondContact O-N 3.37Å
1638Q82.4Confident75.6Confident63 Ų6381 Ų8129%0.29446%0.458SS..EExtended strand (participates in β ladder)trans-114.8150.3173.3-67.7176.9-10.200112P1635 C1643 K1645 L1646P1635-Q1638 VanDerWaalsContact CG-OE1 3.32Å; P1635-Q1638 PolarHBondContact O-N 3.15Å; Q1638-C1643 HydrophobicContact CB-CB 4.02Å; Q1638-K1645 CarbonylContact C-O 3.51Å; Q1638-K1645 VanDerWaalsContact CA-O 3.24Å; Q1638-K1645 WeakPolarHBondContact CA-O 3.39Å; Q1638-L1646 HydrophobicContact CG-CG 4.37Å
1639Y86Confident76.4Confident62 Ų6274.1 Ų74.124%0.24343%0.43CS..EExtended strand (participates in β ladder)trans-150.617517976-86.3000112.5C1643 S1644 K1645 C1647 A1657 G1660Y1639-C1643 CarbonylContact O-C 3.47Å; Y1639-S1644 PolarHBondContact O-N 3.18Å; Y1639-K1645 HydrophobicContact CD1-CB 3.61Å; Y1639-K1645 WeakPolarHBondContact CD1-O 3.47Å; Y1639-K1645 HydrophobicContact CD2-CB 3.98Å; Y1639-K1645 HydrophobicContact CD2-CG 4.4Å; Y1639-K1645 HydrophobicContact CE1-CB 3.36Å; Y1639-K1645 HydrophobicContact CE1-CG 4.37Å; Y1639-K1645 HydrophobicContact CE2-CB 3.76Å; Y1639-K1645 HydrophobicContact CE2-CG 3.97Å; Y1639-K1645 HydrophobicContact CG-CB 3.93Å; Y1639-K1645 VanDerWaalsContact CZ-CB 3.44Å; Y1639-K1645 PolarHBondContact N-O 3.24Å; Y1639-K1645 WeakPolarHBondContact O-CB 3.34Å; Y1639-K1645 PolarHBondContact O-N 2.83Å; Y1639-K1645 VanDerWaalsContact O-N 3.09Å; Y1639-C1647 VanDerWaalsContact CD1-SG 3.57Å; Y1639-A1657 VanDerWaalsContact CA-O 3.3Å; Y1639-A1657 WeakPolarHBondContact CA-O 3.27Å; Y1639-A1657 WeakPolarHBondContact CB-O 3.05Å; Y1639-G1660 VanDerWaalsContact CD1-CA 3.48Å
1640G67.3Low76.8Confident8 Ų874.2 Ų74.28%0.08242%0.424CS..SBendtrans82.5-174.7175.100000114S1642 C1643 A1657G1640-S1642 PolarHBondContact O-N 3.29Å; G1640-C1643 PolarHBondContact O-N 2.95Å; G1640-C1643 VanDerWaalsContact O-N 3.12Å; G1640-A1657 PolarHBondContact N-O 2.04Å
1641V69.3Low77.1Confident95 Ų9576.2 Ų76.258%0.57643%0.433SS*.G310 helixtrans-58.2129178-79.40000110.8L1623 C1643 S1644L1623-V1641 HydrophobicContact CD2-CG1 4.14Å; V1641-C1643 PolarHBondContact O-N 3.11Å; V1641-S1644 WeakPolarHBondContact O-CB 3.5Å; V1641-S1644 PolarHBondContact O-N 2.74Å; V1641-S1644 VanDerWaalsContact O-N 3.14Å; V1641-S1644 PolarHBondContact O-OG 2.91Å
1642S70.7Confident77.2Confident95 Ų9580.3 Ų80.366%0.66444%0.44SS*.G310 helixtrans50.328.2-175.9-51.50000114.4G1640 S1644G1640-S1642 PolarHBondContact O-N 3.29Å; S1642-S1644 PolarHBondContact O-N 3.25Å
1643C78.4Confident77.3Confident10 Ų1078.3 Ų78.37%0.06843%0.427CS..G310 helixtrans59.325.2180-420000114.3H1626 C1634 Q1638 Y1639 G1640 V1641 K1645H1626-C1643 VanDerWaalsContact CD2-SG 3.57Å; C1634-C1643 WeakPolarHBondContact CA-SG 3.01Å; C1634-C1643 HydrophobicContact CB-CB 3.82Å; C1634-C1643 WeakPolarHBondContact CB-SG 3.49Å; C1634-C1643 WeakPolarHBondContact SG-CA 3.44Å; C1634-C1643 WeakPolarHBondContact SG-CB 3.02Å; C1634-C1643 CovalentContact SG-SG 2.04Å; C1634-C1643 PolarHBondContact SG-SG 2.03Å; Q1638-C1643 HydrophobicContact CB-CB 4.02Å; Y1639-C1643 CarbonylContact O-C 3.47Å; G1640-C1643 PolarHBondContact O-N 2.95Å; G1640-C1643 VanDerWaalsContact O-N 3.12Å; V1641-C1643 PolarHBondContact O-N 3.11Å; C1643-K1645 VanDerWaalsContact C-N 3.29Å; C1643-K1645 PolarHBondContact O-N 3.07Å
1644S78.9Confident77.5Confident80 Ų8078.2 Ų78.256%0.55943%0.426SS*.  trans-72.2-9.5-170.6560000115.9Y1639 V1641 S1642Y1639-S1644 PolarHBondContact O-N 3.18Å; V1641-S1644 WeakPolarHBondContact O-CB 3.5Å; V1641-S1644 PolarHBondContact O-N 2.74Å; V1641-S1644 VanDerWaalsContact O-N 3.14Å; V1641-S1644 PolarHBondContact O-OG 2.91Å; S1642-S1644 PolarHBondContact O-N 3.25Å
1645K72.1Confident77.6Confident120 Ų12078.9 Ų78.952%0.52243%0.43SS..EExtended strand (participates in β ladder)trans-110136.1178.9-60.3-74-174.3174.10110.6Q1638 Y1639 C1643Q1638-K1645 CarbonylContact C-O 3.51Å; Q1638-K1645 VanDerWaalsContact CA-O 3.24Å; Q1638-K1645 WeakPolarHBondContact CA-O 3.39Å; Y1639-K1645 HydrophobicContact CD1-CB 3.61Å; Y1639-K1645 WeakPolarHBondContact CD1-O 3.47Å; Y1639-K1645 HydrophobicContact CD2-CB 3.98Å; Y1639-K1645 HydrophobicContact CD2-CG 4.4Å; Y1639-K1645 HydrophobicContact CE1-CB 3.36Å; Y1639-K1645 HydrophobicContact CE1-CG 4.37Å; Y1639-K1645 HydrophobicContact CE2-CB 3.76Å; Y1639-K1645 HydrophobicContact CE2-CG 3.97Å; Y1639-K1645 HydrophobicContact CG-CB 3.93Å; Y1639-K1645 VanDerWaalsContact CZ-CB 3.44Å; Y1639-K1645 PolarHBondContact N-O 3.24Å; Y1639-K1645 WeakPolarHBondContact O-CB 3.34Å; Y1639-K1645 PolarHBondContact O-N 2.83Å; Y1639-K1645 VanDerWaalsContact O-N 3.09Å; C1643-K1645 VanDerWaalsContact C-N 3.29Å; C1643-K1645 PolarHBondContact O-N 3.07Å
1646L81.2Confident77.7Confident135 Ų13577.4 Ų77.471%0.70742%0.422SS*.EExtended strand (participates in β ladder)trans-91.1141166.3-83.584.2000111.1G1637 Q1638G1637-L1646 CarbonylContact O-C 3.54Å; G1637-L1646 WeakPolarHBondContact O-CA 3.3Å; Q1638-L1646 HydrophobicContact CG-CG 4.37Å
1647C76.8Confident77.5Confident22 Ų2266.2 Ų66.215%0.14939%0.385CS..  trans-80137.3166.1-84.10000111.1G1637 Y1639 C1655 G1660G1637-C1647 PolarHBondContact O-N 3.37Å; Y1639-C1647 VanDerWaalsContact CD1-SG 3.57Å; C1647-C1655 HydrophobicContact CB-CB 3.47Å; C1647-C1655 VanDerWaalsContact CB-CB 3.47Å; C1647-C1655 WeakPolarHBondContact CB-SG 3.33Å; C1647-C1655 WeakPolarHBondContact SG-CB 3.49Å; C1647-C1655 CovalentContact SG-SG 2.03Å; C1647-C1655 PolarHBondContact SG-SG 2.83Å; C1647-G1660 PolarHBondContact SG-O 3.08Å
1648S81.3Confident77.3Confident106 Ų10669.2 Ų69.274%0.74139%0.394SS*.  trans-11175.9168.7-111.40000109.6D1672S1648-D1672 VanDerWaalsContact O-CB 3.3Å; S1648-D1672 WeakPolarHBondContact O-CB 3.07Å
1649C83.4Confident77Confident37 Ų3772.3 Ų72.325%0.2541%0.412CS..  trans-97119.7178.5-55.80000110.3A1653 C1662C1649-A1653 HydrophobicContact CB-CB 4.06Å; C1649-A1653 WeakPolarHBondContact CB-O 3.3Å; C1649-C1662 WeakPolarHBondContact CA-SG 3.07Å; C1649-C1662 HydrophobicContact CB-CB 3.82Å; C1649-C1662 WeakPolarHBondContact CB-SG 3.4Å; C1649-C1662 WeakPolarHBondContact SG-CB 3.07Å; C1649-C1662 CovalentContact SG-SG 2.04Å; C1649-C1662 PolarHBondContact SG-SG 3.2Å
1650Q78.6Confident76.5Confident99 Ų9970 Ų7046%0.46341%0.406SS..  trans-86176174.1-53.9-157.139.300111.6N1652 A1653 D1672Q1650-N1652 VanDerWaalsContact C-N 3.26Å; Q1650-N1652 PolarHBondContact O-N 2.04Å; Q1650-A1653 VanDerWaalsContact O-CB 3.29Å; Q1650-A1653 WeakPolarHBondContact O-CB 3.35Å; Q1650-A1653 PolarHBondContact O-N 2.8Å; Q1650-D1672 WeakPolarHBondContact CA-O 3.49Å; Q1650-D1672 WeakPolarHBondContact CB-O 3.21Å; Q1650-D1672 HydrophobicContact CG-CB 4.38Å; Q1650-D1672 PolarHBondContact N-O 2.81Å; Q1650-D1672 PolarHBondContact NE2-OD2 2.03Å
1651N76.7Confident77.2Confident67 Ų6774.2 Ų74.236%0.35843%0.427SS..THydrogen-bonded Turntrans5039.7170.2-62.8-44.8000114.8A1653 F1668 C1673N1651-A1653 PolarHBondContact O-N 3.49Å; N1651-F1668 HydrophobicContact CB-CD1 4.23Å; N1651-F1668 HydrophobicContact CB-CD2 4.34Å; N1651-F1668 HydrophobicContact CB-CE1 4.3Å; N1651-F1668 HydrophobicContact CB-CE2 4.41Å; N1651-F1668 HydrophobicContact CB-CG 4.25Å; N1651-F1668 HydrophobicContact CB-CZ 4.38Å; N1651-F1668 VanDerWaalsContact ND2-CD1 3.31Å; N1651-F1668 WeakPolarHBondContact ND2-CD1 3.03Å; N1651-F1668 VanDerWaalsContact ND2-CE1 3.35Å; N1651-F1668 WeakPolarHBondContact ND2-CE1 3.31Å; N1651-C1673 PolarHBondContact ND2-O 2.97Å
1652N76.9Confident77.9Confident148 Ų14870.1 Ų70.179%0.79140%0.403SS*.THydrogen-bonded Turntrans57.820.4-177.4-66.5-19.3000115.7Q1650 L1665Q1650-N1652 VanDerWaalsContact C-N 3.26Å; Q1650-N1652 PolarHBondContact O-N 2.04Å; N1652-L1665 HydrophobicContact CB-CD1 4.27Å
1653A74.6Confident78.6Confident13 Ų1370.7 Ų70.711%0.10740%0.398CS..PPolyproline II helixtrans-66.5147.2175.900000112.7C1649 Q1650 N1651 C1662 N1663 C1673C1649-A1653 HydrophobicContact CB-CB 4.06Å; C1649-A1653 WeakPolarHBondContact CB-O 3.3Å; Q1650-A1653 VanDerWaalsContact O-CB 3.29Å; Q1650-A1653 WeakPolarHBondContact O-CB 3.35Å; Q1650-A1653 PolarHBondContact O-N 2.8Å; N1651-A1653 PolarHBondContact O-N 3.49Å; A1653-C1662 HydrophobicContact CB-CB 4.26Å; A1653-N1663 VanDerWaalsContact CA-O 3.31Å; A1653-N1663 WeakPolarHBondContact CA-O 3.04Å; A1653-N1663 VanDerWaalsContact CB-O 3.28Å; A1653-N1663 WeakPolarHBondContact CB-O 3.03Å; A1653-C1673 HydrophobicContact CB-CB 3.81Å; A1653-C1673 WeakPolarHBondContact CB-SG 3.35Å
1654I80.4Confident78.6Confident119 Ų11972.5 Ų72.561%0.6141%0.411SS*.EExtended strand (participates in β ladder)trans-99.3120.3-170.8-57.7172.4000111.2N1663I1654-N1663 HydrophobicContact CB-CB 4.42Å; I1654-N1663 PolarHBondContact N-O 2.03Å; I1654-N1663 PolarHBondContact O-N 3.47Å
1655C81.1Confident78.5Confident27 Ų2773 Ų7318%0.18241%0.407CS..EExtended strand (participates in β ladder)trans-66.6132.5173.2174.60000112.9C1647C1647-C1655 HydrophobicContact CB-CB 3.47Å; C1647-C1655 VanDerWaalsContact CB-CB 3.47Å; C1647-C1655 WeakPolarHBondContact CB-SG 3.33Å; C1647-C1655 WeakPolarHBondContact SG-CB 3.49Å; C1647-C1655 CovalentContact SG-SG 2.03Å; C1647-C1655 PolarHBondContact SG-SG 2.83Å
1656S82.1Confident78.6Confident31 Ų3173.3 Ų73.322%0.21742%0.421CS..PPolyproline II helixtrans-82121.5167.2175.50000111.6N1658 I1659 G1660 N1661S1656-N1658 PolarHBondContact O-N 3.28Å; S1656-I1659 PolarHBondContact O-N 2.85Å; S1656-G1660 VanDerWaalsContact O-CA 3.31Å; S1656-G1660 WeakPolarHBondContact O-CA 3.25Å; S1656-G1660 PolarHBondContact O-N 2.95Å; S1656-N1661 PolarHBondContact N-O 3.17Å
1657A72.1Confident78Confident25 Ų2568.5 Ų68.521%0.20740%0.404CS..THydrogen-bonded Turntrans-61.4-25.5178.500000114G1624 C1634 Y1639 G1640G1624-A1657 WeakPolarHBondContact CA-O 3.35Å; C1634-A1657 HydrophobicContact CB-CB 4.39Å; Y1639-A1657 VanDerWaalsContact CA-O 3.3Å; Y1639-A1657 WeakPolarHBondContact CA-O 3.27Å; Y1639-A1657 WeakPolarHBondContact CB-O 3.05Å; G1640-A1657 PolarHBondContact N-O 2.04Å
1658N74.1Confident77.8Confident92 Ų9270.7 Ų70.749%0.49241%0.411SS..THydrogen-bonded Turntrans-83.1-41.6-175.3-50.153.2000111.8S1656S1656-N1658 PolarHBondContact O-N 3.28Å
1659I75.6Confident77.4Confident128 Ų12870 Ų7066%0.65640%0.398SS*.THydrogen-bonded Turntrans-123.6-20.5-164.4-62161.7000112.4S1656 N1661S1656-I1659 PolarHBondContact O-N 2.85Å; I1659-N1661 VanDerWaalsContact C-N 3.3Å; I1659-N1661 HydrophobicContact CG2-CB 4.35Å; I1659-N1661 PolarHBondContact O-N 2.87Å
1660G74Confident76.7Confident13 Ų1369.6 Ų69.613%0.13440%0.401CS..  trans80.33.4-177.400000115.6Y1639 C1647 S1656Y1639-G1660 VanDerWaalsContact CD1-CA 3.48Å; C1647-G1660 PolarHBondContact SG-O 3.08Å; S1656-G1660 VanDerWaalsContact O-CA 3.31Å; S1656-G1660 WeakPolarHBondContact O-CA 3.25Å; S1656-G1660 PolarHBondContact O-N 2.95Å
1661N83.3Confident76.3Confident96 Ų9670.2 Ų70.251%0.51341%0.413SS..  trans-71144.6179-163.111.2000111.5S1656 I1659S1656-N1661 PolarHBondContact N-O 3.17Å; I1659-N1661 VanDerWaalsContact C-N 3.3Å; I1659-N1661 HydrophobicContact CG2-CB 4.35Å; I1659-N1661 PolarHBondContact O-N 2.87Å
1662C83.7Confident76.6Confident10 Ų1068.9 Ų68.97%0.06841%0.406CS..EExtended strand (participates in β ladder)trans-97.3116-179.3-640000110.9C1649 A1653 C1664C1649-C1662 WeakPolarHBondContact CA-SG 3.07Å; C1649-C1662 HydrophobicContact CB-CB 3.82Å; C1649-C1662 WeakPolarHBondContact CB-SG 3.4Å; C1649-C1662 WeakPolarHBondContact SG-CB 3.07Å; C1649-C1662 CovalentContact SG-SG 2.04Å; C1649-C1662 PolarHBondContact SG-SG 3.2Å; A1653-C1662 HydrophobicContact CB-CB 4.26Å; C1662-C1664 PolarHBondContact O-N 2.94Å; C1662-C1664 VanDerWaalsContact O-N 3.17Å
1663N84.8Confident76.9Confident106 Ų10661.8 Ų61.857%0.56737%0.368SS*.EExtended strand (participates in β ladder)trans-77.2100.4174.3-72.1-27.6000110.3A1653 I1654A1653-N1663 VanDerWaalsContact CA-O 3.31Å; A1653-N1663 WeakPolarHBondContact CA-O 3.04Å; A1653-N1663 VanDerWaalsContact CB-O 3.28Å; A1653-N1663 WeakPolarHBondContact CB-O 3.03Å; I1654-N1663 HydrophobicContact CB-CB 4.42Å; I1654-N1663 PolarHBondContact N-O 2.03Å; I1654-N1663 PolarHBondContact O-N 3.47Å
1664C78.6Confident77Confident49 Ų4963.6 Ų63.633%0.33138%0.38SS..PPolyproline II helixtrans-69.3148.4-177.7-51.90000113.7C1662 F1668 C1673C1662-C1664 PolarHBondContact O-N 2.94Å; C1662-C1664 VanDerWaalsContact O-N 3.17Å; C1664-F1668 HydrophobicContact CB-CB 4.45Å; C1664-F1668 WeakPolarHBondContact CB-O 3.01Å; C1664-C1673 WeakPolarHBondContact CA-SG 3.45Å; C1664-C1673 HydrophobicContact CB-CB 3.69Å; C1664-C1673 WeakPolarHBondContact CB-SG 3.33Å; C1664-C1673 PolarHBondContact N-SG 3.21Å; C1664-C1673 VanDerWaalsContact SG-CA 3.57Å; C1664-C1673 WeakPolarHBondContact SG-CB 3.04Å; C1664-C1673 CovalentContact SG-SG 2.03Å; C1664-C1673 PolarHBondContact SG-SG 2.04Å
1665L77.8Confident76.5Confident91 Ų9162.2 Ų62.248%0.47637%0.373SS..PPolyproline II helixtrans-78.5152.4168.2-78.9167.3000110.9N1652 G1667 F1668N1652-L1665 HydrophobicContact CB-CD1 4.27Å; L1665-G1667 PolarHBondContact O-N 3.47Å; L1665-F1668 PolarHBondContact O-N 2.86Å
1666P74.3Confident75.8Confident126 Ų12664.3 Ų64.382%0.81838%0.382SS*.THydrogen-bonded Turntrans-54.2135.4-179.7-26.435.1000113.2
1667G67.9Low74.6Confident34 Ų3466.2 Ų66.235%0.35140%0.395SS..THydrogen-bonded Turntrans95.6-18.5-172.400000114L1665 N1676 S1677L1665-G1667 PolarHBondContact O-N 3.47Å; G1667-N1676 WeakPolarHBondContact O-CA 3.31Å; G1667-N1676 PolarHBondContact O-OD1 3.06Å; G1667-S1677 PolarHBondContact O-N 3.43Å; G1667-S1677 PolarHBondContact O-OG 3.19Å
1668F73.5Confident73.6Confident67 Ų6772.9 Ų72.929%0.29442%0.422SS..EExtended strand (participates in β ladder)trans-108.3139178.9-63.3-81.8000112.8N1651 C1664 L1665 C1673 I1675 N1676N1651-F1668 HydrophobicContact CB-CD1 4.23Å; N1651-F1668 HydrophobicContact CB-CD2 4.34Å; N1651-F1668 HydrophobicContact CB-CE1 4.3Å; N1651-F1668 HydrophobicContact CB-CE2 4.41Å; N1651-F1668 HydrophobicContact CB-CG 4.25Å; N1651-F1668 HydrophobicContact CB-CZ 4.38Å; N1651-F1668 VanDerWaalsContact ND2-CD1 3.31Å; N1651-F1668 WeakPolarHBondContact ND2-CD1 3.03Å; N1651-F1668 VanDerWaalsContact ND2-CE1 3.35Å; N1651-F1668 WeakPolarHBondContact ND2-CE1 3.31Å; C1664-F1668 HydrophobicContact CB-CB 4.45Å; C1664-F1668 WeakPolarHBondContact CB-O 3.01Å; L1665-F1668 PolarHBondContact O-N 2.86Å; F1668-C1673 HydrophobicContact CB-CB 4.35Å; F1668-I1675 CarbonylContact C-O 3.48Å; F1668-I1675 WeakPolarHBondContact CA-O 3.29Å; F1668-N1676 HydrophobicContact CE1-CB 4.39Å
1669I72.6Confident72.4Confident91 Ų9176.3 Ų76.347%0.46744%0.437SS..EExtended strand (participates in β ladder)trans-137.6176.1179.759.5178.8000110.5C1673 I1675I1669-C1673 CarbonylContact O-C 3.4Å; I1669-C1673 WeakPolarHBondContact O-CA 3.34Å; I1669-I1675 HydrophobicContact CD1-CG2 4.35Å; I1669-I1675 HydrophobicContact CG1-CB 3.92Å; I1669-I1675 HydrophobicContact CG1-CG2 3.93Å; I1669-I1675 WeakPolarHBondContact CG1-O 3.28Å; I1669-I1675 PolarHBondContact N-O 2.97Å; I1669-I1675 WeakPolarHBondContact O-CB 3.31Å; I1669-I1675 PolarHBondContact O-N 3.2Å
1670G67.6Low70.4Confident30 Ų3077.2 Ų77.231%0.30944%0.443SS..SBendtrans92.2162.6-173.600000113.1D1672 C1673G1670-D1672 VanDerWaalsContact C-N 3.26Å; G1670-D1672 PolarHBondContact O-N 2.9Å; G1670-C1673 PolarHBondContact O-N 3.32Å; G1670-C1673 VanDerWaalsContact O-N 3.08Å
1671P70.9Confident68.5Low112 Ų11285.2 Ų85.273%0.72748%0.477SS*.THydrogen-bonded Turntrans-68.6-22-169.928.3-35.9000114.2
1672D82.9Confident66.1Low38 Ų3889.2 Ų89.220%0.20350%0.495CS..THydrogen-bonded Turntrans-108.24.4174.571-23.8000112.6S1648 Q1650 G1670 S1674S1648-D1672 VanDerWaalsContact O-CB 3.3Å; S1648-D1672 WeakPolarHBondContact O-CB 3.07Å; Q1650-D1672 WeakPolarHBondContact CA-O 3.49Å; Q1650-D1672 WeakPolarHBondContact CB-O 3.21Å; Q1650-D1672 HydrophobicContact CG-CB 4.38Å; Q1650-D1672 PolarHBondContact N-O 2.81Å; Q1650-D1672 PolarHBondContact NE2-OD2 2.03Å; G1670-D1672 VanDerWaalsContact C-N 3.26Å; G1670-D1672 PolarHBondContact O-N 2.9Å; D1672-S1674 VanDerWaalsContact C-N 3.28Å; D1672-S1674 VanDerWaalsContact CG-OG 3.3Å; D1672-S1674 PolarHBondContact O-N 3.35Å; D1672-S1674 VanDerWaalsContact OD1-CB 3.24Å; D1672-S1674 WeakPolarHBondContact OD1-CB 3.47Å; D1672-S1674 PolarHBondContact OD1-N 3.09Å; D1672-S1674 PolarHBondContact OD1-OG 3.01Å; D1672-S1674 VanDerWaalsContact OD2-CB 3.3Å; D1672-S1674 WeakPolarHBondContact OD2-CB 3.35Å; D1672-S1674 PolarHBondContact OD2-OG 3.07Å
1673C82.7Confident63.5Low0 Ų095.9 Ų95.90%053%0.53CS..SBendtrans60.326.8-174.3-47.80000115.2N1651 A1653 C1664 F1668 I1669 G1670N1651-C1673 PolarHBondContact ND2-O 2.97Å; A1653-C1673 HydrophobicContact CB-CB 3.81Å; A1653-C1673 WeakPolarHBondContact CB-SG 3.35Å; C1664-C1673 WeakPolarHBondContact CA-SG 3.45Å; C1664-C1673 HydrophobicContact CB-CB 3.69Å; C1664-C1673 WeakPolarHBondContact CB-SG 3.33Å; C1664-C1673 PolarHBondContact N-SG 3.21Å; C1664-C1673 VanDerWaalsContact SG-CA 3.57Å; C1664-C1673 WeakPolarHBondContact SG-CB 3.04Å; C1664-C1673 CovalentContact SG-SG 2.03Å; C1664-C1673 PolarHBondContact SG-SG 2.04Å; F1668-C1673 HydrophobicContact CB-CB 4.35Å; I1669-C1673 CarbonylContact O-C 3.4Å; I1669-C1673 WeakPolarHBondContact O-CA 3.34Å; G1670-C1673 PolarHBondContact O-N 3.32Å; G1670-C1673 VanDerWaalsContact O-N 3.08Å
1674S77.6Confident61Low50 Ų50100.4 Ų100.435%0.3555%0.547SS..  trans-77.8-25.6178.857.30000115.2D1672D1672-S1674 VanDerWaalsContact C-N 3.28Å; D1672-S1674 VanDerWaalsContact CG-OG 3.3Å; D1672-S1674 PolarHBondContact O-N 3.35Å; D1672-S1674 VanDerWaalsContact OD1-CB 3.24Å; D1672-S1674 WeakPolarHBondContact OD1-CB 3.47Å; D1672-S1674 PolarHBondContact OD1-N 3.09Å; D1672-S1674 PolarHBondContact OD1-OG 3.01Å; D1672-S1674 VanDerWaalsContact OD2-CB 3.3Å; D1672-S1674 WeakPolarHBondContact OD2-CB 3.35Å; D1672-S1674 PolarHBondContact OD2-OG 3.07Å
1675I68.6Low58.8Low90 Ų90106.7 Ų106.746%0.46257%0.572SS.*EExtended strand (participates in β ladder)trans-88.8121.3-168-53.9172.2000109.9F1668 I1669F1668-I1675 CarbonylContact C-O 3.48Å; F1668-I1675 WeakPolarHBondContact CA-O 3.29Å; I1669-I1675 HydrophobicContact CD1-CG2 4.35Å; I1669-I1675 HydrophobicContact CG1-CB 3.92Å; I1669-I1675 HydrophobicContact CG1-CG2 3.93Å; I1669-I1675 WeakPolarHBondContact CG1-O 3.28Å; I1669-I1675 PolarHBondContact N-O 2.97Å; I1669-I1675 WeakPolarHBondContact O-CB 3.31Å; I1669-I1675 PolarHBondContact O-N 3.2Å
1676N66.7Low56.8Low71 Ų71107.5 Ų107.538%0.3859%0.585SS.*EExtended strand (participates in β ladder)trans-81.8131.7172.1-175.70.1000110.5G1667 F1668 E1678G1667-N1676 WeakPolarHBondContact O-CA 3.31Å; G1667-N1676 PolarHBondContact O-OD1 3.06Å; F1668-N1676 HydrophobicContact CE1-CB 4.39Å; N1676-E1678 VanDerWaalsContact C-N 3.28Å; N1676-E1678 PolarHBondContact O-N 3.19Å
1677S57.3Low54.8Low71 Ų71108.7 Ų108.750%0.49759%0.59SS.*THydrogen-bonded Turntrans-74-5.6-171.860.30000115.9G1667G1667-S1677 PolarHBondContact O-N 3.43Å; G1667-S1677 PolarHBondContact O-OG 3.19Å
1678E51.2Low53.4Low166 Ų166115.8 Ų115.878%0.77661%0.612SS**THydrogen-bonded Turntrans-915.7-173.1-61.2-168.1141.500115.7N1676N1676-E1678 VanDerWaalsContact C-N 3.28Å; N1676-E1678 PolarHBondContact O-N 3.19Å
1679M48.8Very low51.7Low164 Ų164120.7 Ų120.781%0.80863%0.633SS**SBendtrans-120.889.9-173.5-63.1-169.57500114.6
1680N32.6Very low49.7Very low146 Ų146125.8 Ų125.878%0.78165%0.648SS**  trans23.2118.7159-64.9-40.3000119.6
1681H35Very low48Very low181 Ų181131.5 Ų131.584%0.83867%0.666SS**  46.291.579.4-82.3-71.3000115.9
1682M32.2Very low46.2Very low181 Ų181137.4 Ų137.489%0.89269%0.692SS**  -170.8149.1128.5-79.2-133.5-173.300110.4
1683N30.8Very low44.4Very low150 Ų150142.4 Ų142.480%0.80272%0.716SS**  trans6.7137.2167.9-62.5-10.2000121.7
1684E31.2Very low42.3Very low200 Ų200149.9 Ų149.994%0.93575%0.754SS**  -166.9164.7111.7-111.8174.2-16300113.6
1685Q32.1Very low40.4Very low182 Ų182155.4 Ų155.485%0.8578%0.777SS**  trans-142.5126.2-179.6-132.7-175.78.800112.3
1686S36.2Very low38.7Very low107 Ų107159.3 Ų159.375%0.74880%0.795SS**  trans57.1119.6160.362.50000120.9
1687T33.3Very low37Very low151 Ų151164.8 Ų164.893%0.92682%0.821SS**  -153.4169.1116.70.10000111.2
1688F37.8Very low35.6Very low183 Ų183171.1 Ų171.180%0.80384%0.843SS**  trans-96.8153.1-167-122-122.9000113.2
1689K36.9Very low34.5Very low170 Ų170171.4 Ų171.474%0.73985%0.848SS**  trans36.3137.4148.7-77.9-168.6176.4-166.20120.4
1690Y31.9Very low33.4Very low199 Ų199172 Ų17278%0.7885%0.851SS**  -148.7163.499.9-118.2-86.8000111.7
1691E30.8Very low33.5Very low149 Ų149174.2 Ų174.270%0.69686%0.856SS**  trans-35.8140.1-168.7-70.3144.7176.900119.1
1692N33.5Very low33.3Very low237 Ų237173.5 Ų173.5100%1.26786%0.858SS**  -107.5082.9-103.1-1000108.8

Retrieved 1,692 of 1,692 residues in 2766.1 ms (Link to these results)