C1QT5_HUMAN Loading...

Complement C1q tumor necrosis factor-related protein 5

AlphaFold DB , UniProt , Accession Q9BXJ0, Species HUMAN (Homo sapiens, Human), Gene C1QTNF5, Length 243 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.8Very low46.2Very low243 Ų243152.4 Ų152.4100%1.19781%0.812SS**  0121.30-84.3177.8172.600108.6
2R45.4Very low45.9Very low245 Ų245154.6 Ų154.693%0.92582%0.822SS**  trans67.3139.4164.9-74.5-177.7158.8171.2-5.7120.5
3P44.5Very low45.7Very low110 Ų110150.5 Ų150.571%0.71482%0.823SS**  trans-135.5-176.6-138.935.2-11.7000114.8
4L45.9Very low45.7Very low147 Ų147147.3 Ų147.377%0.7783%0.827SS**  trans58.5113.5148.7-102.283.2000119.7V6L4-V6 HydrophobicContact CD2-CG2 4.04Å; L4-V6 HydrophobicContact CG-CG2 4.19Å
5L47.3Very low45.4Very low165 Ų165142 Ų14286%0.86482%0.819SS**  trans-128.3100.1142.2-159.679.8000108.4
6V47Very low45.6Very low110 Ų110139.8 Ų139.867%0.66781%0.814SS**  trans-92.4115.7169.7171.70000106.4L4L4-V6 HydrophobicContact CD2-CG2 4.04Å; L4-V6 HydrophobicContact CG-CG2 4.19Å
7L52.1Low45.9Very low140 Ų140138 Ų13873%0.73381%0.808SS**  trans-103.8105.4170.9-152.881.1000108.3L9L7-L9 HydrophobicContact CD2-CD1 3.63Å; L7-L9 HydrophobicContact CG-CD1 4.09Å
8L41.9Very low46.1Very low141 Ų141136.8 Ų136.874%0.73881%0.805SS**  trans-85.7113.4175.6-162.987.4000108.1L10L8-L10 HydrophobicContact CD1-CD1 4.29Å; L8-L10 HydrophobicContact CD2-CD1 4.47Å; L8-L10 HydrophobicContact CG-CD1 4.15Å
9L48.4Very low46.2Very low149 Ų149137.1 Ų137.178%0.7880%0.802SS**  trans-125.292.3166.6-92.2122.8000108.6L7 G11L7-L9 HydrophobicContact CD2-CD1 3.63Å; L7-L9 HydrophobicContact CG-CD1 4.09Å; L9-G11 PolarHBondContact O-N 3.05Å
10L45.3Very low46.3Very low155 Ų155137.5 Ų137.581%0.81280%0.8SS**  trans-84.3100160.1-9489.8000107.9L8L8-L10 HydrophobicContact CD1-CD1 4.29Å; L8-L10 HydrophobicContact CD2-CD1 4.47Å; L8-L10 HydrophobicContact CG-CD1 4.15Å
11G47.2Very low46.1Very low71 Ų71135.7 Ų135.773%0.73279%0.788SS**  trans-81.1123.216800000110.3L9 A13L9-G11 PolarHBondContact O-N 3.05Å; G11-A13 PolarHBondContact O-N 3.46Å
12L42.8Very low46.2Very low179 Ų179130.2 Ų130.294%0.93776%0.764SS**  trans-56.3109.4175.7-71.6135.7000111.3A14L12-A14 PolarHBondContact O-N 3.09Å
13A43.2Very low45.9Very low101 Ų101127.8 Ų127.884%0.83576%0.76SS**  trans-84.2100162.400000108.1G11 G15G11-A13 PolarHBondContact O-N 3.46Å; A13-G15 VanDerWaalsContact C-N 3.3Å; A13-G15 PolarHBondContact O-N 3.04Å
14A46.7Very low46.1Very low106 Ų106128 Ų12888%0.87675%0.753SS**  trans-68.790.8164.600000108.3L12L12-A14 PolarHBondContact O-N 3.09Å
15G41.1Very low45.9Very low68 Ų68126.1 Ų126.170%0.70175%0.75SS**PPolyproline II helixtrans-72.5120.7168.400000109.5A13A13-G15 VanDerWaalsContact C-N 3.3Å; A13-G15 PolarHBondContact O-N 3.04Å
16S48.6Very low46Very low107 Ų107122.7 Ų122.775%0.74874%0.74SS**PPolyproline II helixtrans-58.2136.4162.743.20000108.7
17P50.7Low45.9Very low109 Ų109125.2 Ų125.271%0.70875%0.749SS**PPolyproline II helixtrans-59.6144.9173.927.4-32.3000108.6L19P17-L19 PolarHBondContact O-N 3.02Å
18P48.9Very low45.7Very low116 Ų116122.4 Ų122.475%0.75374%0.74SS**PPolyproline II helixtrans-58.2128.2170.626-31.1000107.6D20P18-D20 PolarHBondContact O-N 2.76Å
19L48Very low46.1Very low142 Ų142121.6 Ų121.674%0.74374%0.743SS**  trans-58.4108.1165.9-92.4152.6000106.9P17 D21P17-L19 PolarHBondContact O-N 3.02Å; L19-D21 PolarHBondContact O-N 3.35Å
20D47.8Very low46.1Very low145 Ų145116.6 Ų116.678%0.77573%0.728SS**  trans-69.765.1170.2-111.7-23.2000109P18 N22P18-D20 PolarHBondContact O-N 2.76Å; D20-N22 PolarHBondContact O-N 2.94Å
21D43.6Very low46.4Very low101 Ų101117.9 Ų117.954%0.5473%0.73SS.*  trans-81.629.8-177.7-77.8-17.6000112.7L19 K23L19-D21 PolarHBondContact O-N 3.35Å; D21-K23 PolarHBondContact O-N 3.42Å
22N43.6Very low46.7Very low128 Ų128119.5 Ų119.568%0.68473%0.727SS**  trans-87.720.1171.3-85.5-33.4000114.1D20 R103D20-N22 PolarHBondContact O-N 2.94Å; N22-R103 PolarHBondContact OD1-NH1 2.64Å; N22-R103 VanDerWaalsContact OD1-NH1 3.11Å
23K40.3Very low47.2Very low194 Ų194113 Ų11384%0.84370%0.703SS**  trans-12051.4174.8-135.7178.1-170.4179.80112.4D21 P25D21-K23 PolarHBondContact O-N 3.42Å; K23-P25 WeakPolarHBondContact O-CD 3.36Å
24I47.1Very low47.9Very low113 Ų113116.2 Ų116.258%0.57971%0.705SS**  trans-62.4119.2150.7-57.8175.4000105.3S26I24-S26 PolarHBondContact O-N 2.92Å
25P42.3Very low48.4Very low108 Ų108116.4 Ų116.470%0.70170%0.698SS**  trans-56.5116.5175.8-18.330.6000107.5K23 L27K23-P25 WeakPolarHBondContact O-CD 3.36Å; P25-L27 PolarHBondContact O-N 2.94Å
26S49.5Very low49.1Very low94 Ų94115.6 Ų115.666%0.65769%0.689SS**  trans-50.2110.8178.538.10000109.7I24 C28I24-S26 PolarHBondContact O-N 2.92Å; S26-C28 PolarHBondContact O-N 2.93Å
27L44Very low49.7Very low163 Ų163116.8 Ų116.885%0.85369%0.692SS**SBendtrans-71.923.2179.5-99.1149.2000113.5P25P25-L27 PolarHBondContact O-N 2.94Å
28C49.4Very low50.2Low81 Ų81117.5 Ų117.555%0.54770%0.697SS.*  trans-143.294.7-176-67.70000110.4S26 G30S26-C28 PolarHBondContact O-N 2.93Å; C28-G30 PolarHBondContact O-N 3.09Å
29P48.9Very low50.5Low123 Ų123114.8 Ų114.880%0.79969%0.69SS**  trans-61.6106151.2-7.323.2000105.9H31P29-H31 PolarHBondContact O-N 3.39Å
30G49.6Very low51Low45 Ų45117.4 Ų117.446%0.46470%0.698SS.*PPolyproline II helixtrans-53.2130.2170.100000108.6C28C28-G30 PolarHBondContact O-N 3.09Å
31H52Low51.6Low182 Ų182117.9 Ų117.984%0.84370%0.695SS**PPolyproline II helixtrans-57.1135.4175.4-69.779.2000107.9P29 G33P29-H31 PolarHBondContact O-N 3.39Å; H31-G33 PolarHBondContact O-N 3.23Å
32P52.1Low52.2Low104 Ų104116.7 Ų116.768%0.67571%0.706SS**PPolyproline II helixtrans-48.7136.6171.8-26.134000109.7T92P32-T92 HydrophobicContact CB-CG2 4.01Å
33G54.3Low53.1Low42 Ų42116.3 Ų116.343%0.43371%0.714SS.*PPolyproline II helixtrans-54.2153.1174.900000111.2H31H31-G33 PolarHBondContact O-N 3.23Å
34L58Low54Low169 Ų169114.9 Ų114.989%0.88571%0.71SS**PPolyproline II helixtrans-54.4136.2176.3-70168.2000109.8G36L34-G36 PolarHBondContact O-N 3.13Å
35P57.5Low54.6Low111 Ų111112.5 Ų112.572%0.72171%0.713SS**PPolyproline II helixtrans-52.5139.7173.4-25.133.5000110.8
36G55.1Low55.7Low50 Ų50115.4 Ų115.452%0.51572%0.722SS.*PPolyproline II helixtrans-56.1149.9174.600000111.5L34L34-G36 PolarHBondContact O-N 3.13Å
37T60.5Low56.6Low133 Ų133116 Ų11682%0.81672%0.724SS**PPolyproline II helixtrans-60.2144175.551.10000110.6G39T37-G39 PolarHBondContact O-N 3.06Å
38P61Low57.5Low124 Ų124111.6 Ų111.681%0.80572%0.718SS**PPolyproline II helixtrans-52.4141.5175.4-25.534000111.8
39G56.2Low58.5Low59 Ų59119.7 Ų119.761%0.60874%0.737SS**PPolyproline II helixtrans-59.8156.2175.900000112.6T37T37-G39 PolarHBondContact O-N 3.06Å
40H58.6Low59.6Low196 Ų196121.4 Ų121.491%0.90774%0.739SS**PPolyproline II helixtrans-58.8145.5176-71-76.2000111.8
41H60.2Low60.4Low156 Ų156122.6 Ų122.672%0.72275%0.752SS**PPolyproline II helixtrans-60.5139.3175.6-59.2-43.7000111.2R83H41-R83 PolarHBondContact CE1-NH2 2.89Å
42G55.4Low61.3Low75 Ų75125.9 Ų125.977%0.77376%0.757SS**PPolyproline II helixtrans-62.5151.2170.600000111.8
43S62.8Low62.3Low121 Ų121128.6 Ų128.685%0.84677%0.766SS**PPolyproline II helixtrans-63.6148.8175.453.70000111.8G45S43-G45 PolarHBondContact O-N 2.88Å
44Q59.1Low62.9Low164 Ų164129.9 Ų129.977%0.76678%0.779SS**PPolyproline II helixtrans-55.6135.8173.3-171.8176.15.100110.8
45G59.5Low63.7Low62 Ų62133.9 Ų133.964%0.63978%0.782SS**PPolyproline II helixtrans-62.2153.917400000112.3S43S43-G45 PolarHBondContact O-N 2.88Å
46L66.7Low64.5Low170 Ų170136.3 Ų136.389%0.8979%0.789SS**PPolyproline II helixtrans-63.2145.4176.3-68.4169.1000110.9
47P67.3Low65.1Low106 Ų106137.4 Ų137.469%0.68880%0.8SS**PPolyproline II helixtrans-54.7146.5172.4-2433.7000112.3
48G63.1Low65.6Low71 Ų71135.6 Ų135.673%0.73280%0.798SS**PPolyproline II helixtrans-60.1152.9172.700000112
49R70.1Confident65.9Low250 Ų250136.1 Ų136.194%0.94380%0.802SS**PPolyproline II helixtrans-68.1142.3172.6-79.5-178.2161.4178.3-5.4110.4
50D73.6Confident66Low159 Ų159136.8 Ų136.885%0.8581%0.808SS**PPolyproline II helixtrans-57.5147.1171.9-60.4-33.2000111.1
51G65Low66.2Low70 Ų70132.1 Ų132.172%0.72280%0.804SS**PPolyproline II helixtrans-62.1146.2173.800000111.1
52R70.6Confident66.3Low252 Ų252131.3 Ų131.395%0.95181%0.813SS**PPolyproline II helixtrans-69.9138.8172.3-71-179.1177.3172.7-1.6109.7
53D73.1Confident66.5Low161 Ų161131.3 Ų131.386%0.86181%0.812SS**PPolyproline II helixtrans-56144171.7-61.8-34.9000111.2
54G68.4Low66.2Low69 Ų69135.2 Ų135.271%0.71182%0.817SS**PPolyproline II helixtrans-62.2140.6172.500000110.5
55R74.2Confident65.4Low253 Ų253136.8 Ų136.896%0.95582%0.822SS**PPolyproline II helixtrans-67.8136.7173-69.4-179-178.4173.9-0.2109.6
56D73.4Confident65.4Low162 Ų162137.1 Ų137.187%0.86683%0.825SS**PPolyproline II helixtrans-56.6137.6171.2-64.3-31.5000110.8
57G67.9Low65.2Low72 Ų72137.9 Ų137.974%0.74282%0.824SS**PPolyproline II helixtrans-67.8144.1171.400000111
58A70.9Confident65.1Low95 Ų95136.4 Ų136.479%0.78583%0.828SS**PPolyproline II helixtrans-61142175.200000111.2G60A58-G60 PolarHBondContact O-N 2.81Å
59P67.7Low65.4Low136 Ų136136.6 Ų136.688%0.88383%0.83SS**PPolyproline II helixtrans-61.5126.4179.8-22.232.5000112.5
60G59.6Low65.4Low72 Ų72135.9 Ų135.974%0.74283%0.827SS**PPolyproline II helixtrans-87.7151.616600000111.8A58A58-G60 PolarHBondContact O-N 2.81Å
61A61.6Low65.4Low98 Ų98134.1 Ų134.181%0.8183%0.825SS**PPolyproline II helixtrans-65.4151.8176.600000112.3G63A61-G63 PolarHBondContact O-N 3.33Å
62P63.4Low65.7Low140 Ų140134.3 Ų134.391%0.90983%0.826SS**PPolyproline II helixtrans-66124.8-160.5-20.332.6000114.4
63G58.1Low65.9Low74 Ų74130.2 Ų130.276%0.76382%0.823SS**  trans-121.2149.2157.800000109.6A61 K65A61-G63 PolarHBondContact O-N 3.33Å; G63-K65 PolarHBondContact O-N 2.75Å
64E56.2Low65.9Low203 Ų203128.3 Ų128.395%0.94982%0.819SS**SBendtrans-71.2126.2179.4-75-161.7131.700112.7
65K43.4Very low66.1Low198 Ų198128.1 Ų128.186%0.86182%0.817SS**  trans61.7111.9158.9-155174.7-167.6177.90120.1G63G63-K65 PolarHBondContact O-N 2.75Å
66G60.3Low66.2Low69 Ų69122.2 Ų122.271%0.71181%0.812SS**  -142.6140.5128.600000108.4G68G66-G68 PolarHBondContact O-N 2.54Å
67E61.5Low66.1Low185 Ų185124.8 Ų124.886%0.86481%0.809SS**PPolyproline II helixtrans-59.1124.8165.4-77.2-178.2163.100107.8G69E67-G69 PolarHBondContact O-N 3.2Å
68G66Low66Low75 Ų75124.2 Ų124.277%0.77380%0.804SS**PPolyproline II helixtrans-55.8126.3174.200000109.3G66 R70G66-G68 PolarHBondContact O-N 2.54Å; G68-R70 PolarHBondContact O-N 2.95Å
69G68.4Low66.1Low76 Ų76127 Ų12778%0.78481%0.805SS**PPolyproline II helixtrans-55.9139.5174.100000110.1E67E67-G69 PolarHBondContact O-N 3.2Å
70R71.5Confident66.2Low234 Ų234125.8 Ų125.888%0.88380%0.797SS**PPolyproline II helixtrans-58.7144.7173.3-68.1-178.3176.6-171-1.6109.3G68 G72G68-R70 PolarHBondContact O-N 2.95Å; R70-G72 PolarHBondContact O-N 2.83Å
71P72Confident66.5Low123 Ų123125.4 Ų125.480%0.79979%0.793SS**PPolyproline II helixtrans-48.7141.4170.7-26.334.2000110.8
72G71.6Confident67.1Low73 Ų73127 Ų12775%0.75380%0.795SS**PPolyproline II helixtrans-56.5146.617600000110.9R70R70-G72 PolarHBondContact O-N 2.83Å
73L75.2Confident67.2Low167 Ų167130.3 Ų130.387%0.87479%0.789SS**PPolyproline II helixtrans-59.8144.1172.2-67.6169.8000109.5G75L73-G75 PolarHBondContact O-N 2.85Å
74P73.2Confident67.5Low121 Ų121129.8 Ų129.879%0.78679%0.785SS**PPolyproline II helixtrans-50.3141170.5-2634.3000110.8
75G71.4Confident68.3Low65 Ų65129.4 Ų129.467%0.6778%0.783SS**PPolyproline II helixtrans-58153.3177.900000111.8L73L73-G75 PolarHBondContact O-N 2.85Å
76P76.5Confident69.5Low129 Ų129124.7 Ų124.784%0.83878%0.781SS**PPolyproline II helixtrans-58.9147.1176.726.3-34.1000110.7G78P76-G78 PolarHBondContact O-N 2.87Å
77R71Confident69.8Low215 Ų215124.1 Ų124.181%0.81178%0.775SS**PPolyproline II helixtrans-55.8131171.5-178.2179.7178172.11.7108.9
78G66.8Low70.4Confident61 Ų61121.5 Ų121.563%0.62977%0.774SS**PPolyproline II helixtrans-59144.1174.600000111.7P76P76-G78 PolarHBondContact O-N 2.87Å
79D72.7Confident70.6Confident153 Ų153122.3 Ų122.382%0.81877%0.774SS**PPolyproline II helixtrans-57.6150.3178.3-68.1-43000111.6G81D79-G81 PolarHBondContact O-N 2.85Å
80P70.5Confident70.6Confident111 Ų111120.6 Ų120.672%0.72176%0.755SS**PPolyproline II helixtrans-53.3136.3170.9-23.533.6000111
81G66.2Low70.9Confident63 Ų63115.5 Ų115.565%0.64975%0.753SS**PPolyproline II helixtrans-58154.8174.400000111.9D79D79-G81 PolarHBondContact O-N 2.85Å
82P72.8Confident70.8Confident131 Ų131114.8 Ų114.885%0.85175%0.746SS**PPolyproline II helixtrans-59.1150.3179.725.8-34.3000111.3G84P82-G84 PolarHBondContact O-N 3.08Å
83R65.3Low70.5Confident210 Ų210113 Ų11379%0.79273%0.728SS**PPolyproline II helixtrans-57.9131172.6-174.3-179.4-176.4175.34109H41H41-R83 PolarHBondContact CE1-NH2 2.89Å
84G65.4Low70Confident64 Ų64111 Ų11166%0.6673%0.725SS**PPolyproline II helixtrans-59.3145.3173.400000111.7P82P82-G84 PolarHBondContact O-N 3.08Å
85E72Confident69.4Low194 Ų194109.7 Ų109.791%0.90772%0.724SS**PPolyproline II helixtrans-61148.3177.2-64.8-175.1164.500111.2G87E85-G87 PolarHBondContact O-N 2.9Å
86A68.5Low68.6Low99 Ų99109 Ų10982%0.81872%0.717SS**PPolyproline II helixtrans-62.7136173.400000109.6
87G66.7Low67.6Low58 Ų58112 Ų11260%0.59872%0.72SS**PPolyproline II helixtrans-60.6155.4173.800000111.7E85E85-G87 PolarHBondContact O-N 2.9Å
88P75Confident66.7Low129 Ų129105 Ų10584%0.83870%0.703SS**PPolyproline II helixtrans-59.6150.7177.326.9-34.4000110.7G90P88-G90 PolarHBondContact O-N 3Å
89A69.5Low66.3Low93 Ų93107.2 Ų107.277%0.76971%0.709SS**PPolyproline II helixtrans-55137.4171.100000109.7
90G69.4Low66Low39 Ų39104.5 Ų104.540%0.40270%0.698SS.*PPolyproline II helixtrans-59156.8172.500000111P88P88-G90 PolarHBondContact O-N 3Å
91P76.7Confident66.1Low127 Ų127103.9 Ų103.983%0.82569%0.694SS**PPolyproline II helixtrans-58.2144.9176.526.9-34.4000110.3G93P91-G93 PolarHBondContact O-N 3.32Å
92T70.8Confident66.9Low108 Ų108102.4 Ų102.466%0.66367%0.673SS**PPolyproline II helixtrans-53.9131.7169.4-50.80000108.8P32P32-T92 HydrophobicContact CB-CG2 4.01Å
93G65.2Low67.8Low36 Ų36101 Ų10137%0.37165%0.651SS.*PPolyproline II helixtrans-56158.8173.700000111.4P91P91-G93 PolarHBondContact O-N 3.32Å
94P64.1Low69.4Low126 Ų12691.2 Ų91.282%0.81861%0.614SS**PPolyproline II helixtrans-54.3146.1175.125.2-33.5000110G96P94-G96 PolarHBondContact O-N 2.9Å
95A60.6Low70.9Confident92 Ų9290 Ų9076%0.7660%0.598SS**PPolyproline II helixtrans-54129.417200000108.5E97A95-E97 PolarHBondContact O-N 2.99Å
96G55.7Low72.2Confident51 Ų5181 Ų8153%0.52656%0.556SS.*PPolyproline II helixtrans-56.2124.5176.100000109.3P94 C98P94-G96 PolarHBondContact O-N 2.9Å; G96-C98 PolarHBondContact O-N 2.99Å
97E55.7Low73.7Confident193 Ų19377.2 Ų77.290%0.90252%0.524SS*.PPolyproline II helixtrans-62.6119.7172.8-76.6176.6175.300107.9A95 S99A95-E97 PolarHBondContact O-N 2.99Å; E97-S99 PolarHBondContact O-N 2.76Å
98C51.8Low75.2Confident66 Ų6674.5 Ų74.545%0.44650%0.495SS..  trans-64.1104.2170.8-71.30000107.4G96 V100G96-C98 PolarHBondContact O-N 2.99Å; C98-V100 VanDerWaalsContact C-N 3.31Å; C98-V100 PolarHBondContact O-N 2.89Å
99S58.4Low76.3Confident108 Ų10869.9 Ų69.976%0.75546%0.462SS*.  trans-64.897168.357.90000107.4E97 P101E97-S99 PolarHBondContact O-N 2.76Å; S99-P101 VanDerWaalsContact O-CD 3.3Å; S99-P101 WeakPolarHBondContact O-CD 3.42Å; S99-P101 VanDerWaalsContact O-N 3.16Å
100V65.6Low77.6Confident97 Ų9766.8 Ų66.859%0.58843%0.43SS*.PPolyproline II helixtrans-58.4119.4167.8179.70000105.6C98C98-V100 VanDerWaalsContact C-N 3.31Å; C98-V100 PolarHBondContact O-N 2.89Å
101P71.9Confident78.8Confident98 Ų9866.7 Ų66.764%0.63642%0.424SS*.PPolyproline II helixtrans-53.9136177.9-23.732.6000108.5S99 R103S99-P101 VanDerWaalsContact O-CD 3.3Å; S99-P101 WeakPolarHBondContact O-CD 3.42Å; S99-P101 VanDerWaalsContact O-N 3.16Å; P101-R103 PolarHBondContact O-N 2.85Å
102P84.6Confident79.6Confident32 Ų3266 Ų6621%0.20841%0.409CS..PPolyproline II helixtrans-58.2136.8179.527-35.4000109V147 L231 W236P102-V147 HydrophobicContact CB-CB 4.4Å; P102-V147 HydrophobicContact CB-CG1 3.61Å; P102-V147 HydrophobicContact CB-CG2 3.89Å; P102-V147 HydrophobicContact CG-CG1 3.53Å; P102-L231 HydrophobicContact CG-CD2 4.2Å; P102-L231 WeakPolarHBondContact O-CD2 3.43Å; P102-W236 HydrophobicContact CB-CE3 4.32Å; P102-W236 HydrophobicContact CB-CZ3 4.01Å; P102-W236 HydrophobicContact CG-CE3 4.04Å; P102-W236 HydrophobicContact CG-CZ3 4.24Å
103R92Very high80.5Confident101 Ų10163.2 Ų63.238%0.38139%0.394SS..  trans-104.4139.1179.5-61.5179.7-173158.33.3108.7N22 P101 Q133N22-R103 PolarHBondContact OD1-NH1 2.64Å; N22-R103 VanDerWaalsContact OD1-NH1 3.11Å; P101-R103 PolarHBondContact O-N 2.85Å; R103-Q133 WeakPolarHBondContact O-CG 3.21Å
104S97.2Very high81.4Confident4 Ų472.3 Ų72.33%0.02842%0.417CS..  trans-156108.3168.9175.20000108H135 F143 F230 L231S104-H135 WeakPolarHBondContact CB-ND1 3.26Å; S104-H135 PolarHBondContact OG-ND1 2.87Å; S104-F143 WeakPolarHBondContact OG-CE2 3.34Å; S104-F143 WeakPolarHBondContact OG-CZ 3.41Å; S104-F230 CarbonylContact O-C 3.56Å; S104-F230 VanDerWaalsContact O-CA 3.27Å; S104-F230 WeakPolarHBondContact O-CA 3.39Å; S104-L231 PolarHBondContact O-N 3.46Å
105A98.4Very high82.5Confident38 Ų3871.5 Ų71.531%0.31441%0.41SS..EExtended strand (participates in β ladder)trans-148.4147.917600000111.1Q133 G229 F230A105-Q133 PolarHBondContact O-OE1 2.9Å; A105-G229 CarbonylContact C-O 3.52Å; A105-G229 VanDerWaalsContact CA-O 3.31Å; A105-G229 WeakPolarHBondContact CA-O 3.48Å; A105-F230 HydrophobicContact CB-CB 3.73Å
106F98.8Very high83.7Confident5 Ų571.2 Ų71.22%0.02240%0.4CS..EExtended strand (participates in β ladder)trans-145.6157.6169.175.4-79.1000110.8V130 N131 Y136 F143 F153 F227 S228 G229F106-V130 CarbonylContact C-O 3.51Å; F106-V130 VanDerWaalsContact CA-O 3.23Å; F106-V130 WeakPolarHBondContact CA-O 3.41Å; F106-N131 HydrophobicContact CB-CB 4.41Å; F106-Y136 HydrophobicContact CB-CG 4.35Å; F106-Y136 AromaticContact CD2-CD1 3.91Å; F106-Y136 HydrophobicContact CD2-CD1 3.91Å; F106-Y136 AromaticContact CD2-CD2 3.57Å; F106-Y136 HydrophobicContact CD2-CD2 3.57Å; F106-Y136 HydrophobicContact CD2-CE2 4.26Å; F106-Y136 AromaticContact CD2-CG 3.38Å; F106-Y136 HydrophobicContact CD2-CG 3.38Å; F106-Y136 HydrophobicContact CE2-CD1 4.45Å; F106-Y136 AromaticContact CE2-CD2 3.39Å; F106-Y136 HydrophobicContact CE2-CD2 3.39Å; F106-Y136 AromaticContact CE2-CE2 3.84Å; F106-Y136 HydrophobicContact CE2-CE2 3.84Å; F106-Y136 AromaticContact CE2-CG 3.76Å; F106-Y136 HydrophobicContact CE2-CG 3.76Å; F106-Y136 VanDerWaalsContact CG-CB 3.44Å; F106-Y136 HydrophobicContact CG-CD2 4.25Å; F106-Y136 AromaticContact CG-CG 3.86Å; F106-Y136 HydrophobicContact CG-CG 3.86Å; F106-Y136 AromaticContact CZ-CD2 3.94Å; F106-Y136 HydrophobicContact CZ-CD2 3.94Å; F106-F143 HydrophobicContact CD1-CB 4.46Å; F106-F143 AromaticContact CD1-CD2 3.42Å; F106-F143 HydrophobicContact CD1-CD2 3.42Å; F106-F143 VanDerWaalsContact CD1-CD2 3.42Å; F106-F143 AromaticContact CD1-CE2 4Å; F106-F143 HydrophobicContact CD1-CE2 4Å; F106-F143 HydrophobicContact CD1-CG 4.22Å; F106-F143 HydrophobicContact CE1-CB 3.72Å; F106-F143 AromaticContact CE1-CD2 3.37Å; F106-F143 HydrophobicContact CE1-CD2 3.37Å; F106-F143 HydrophobicContact CE1-CE2 4.18Å; F106-F143 AromaticContact CE1-CG 3.71Å; F106-F143 HydrophobicContact CE1-CG 3.71Å; F106-F143 HydrophobicContact CG-CD2 4.48Å; F106-F143 HydrophobicContact CZ-CB 4Å; F106-F143 HydrophobicContact CZ-CD2 4.41Å; F106-F143 HydrophobicContact CZ-CG 4.47Å; F106-F153 HydrophobicContact CE1-CD1 4.24Å; F106-F153 AromaticContact CE1-CE1 3.81Å; F106-F153 HydrophobicContact CE1-CE1 3.81Å; F106-F153 HydrophobicContact CZ-CD1 4.25Å; F106-F153 HydrophobicContact CZ-CE1 4.13Å; F106-F227 AromaticContact CE2-CD1 3.67Å; F106-F227 HydrophobicContact CE2-CD1 3.67Å; F106-F227 AromaticContact CE2-CE1 3.79Å; F106-F227 HydrophobicContact CE2-CE1 3.79Å; F106-F227 HydrophobicContact CE2-CG 4.11Å; F106-F227 HydrophobicContact CE2-CZ 4.32Å; F106-F227 AromaticContact CZ-CD1 3.93Å; F106-F227 HydrophobicContact CZ-CD1 3.93Å; F106-F227 HydrophobicContact CZ-CD2 4.47Å; F106-F227 AromaticContact CZ-CE1 3.57Å; F106-F227 HydrophobicContact CZ-CE1 3.57Å; F106-F227 HydrophobicContact CZ-CE2 4.16Å; F106-F227 HydrophobicContact CZ-CG 4.37Å; F106-F227 AromaticContact CZ-CZ 3.7Å; F106-F227 HydrophobicContact CZ-CZ 3.7Å; F106-S228 WeakPolarHBondContact O-CA 3.5Å; F106-G229 WeakPolarHBondContact CD1-O 3.22Å; F106-G229 PolarHBondContact N-O 3.35Å; F106-G229 PolarHBondContact O-N 3.38Å
107S98.8Very high85Confident21 Ų2169.6 Ų69.615%0.14738%0.381CS..EExtended strand (participates in β ladder)trans-145.7134.5164.2-170.40000108.9L129 V130 F227 S228S107-L129 WeakPolarHBondContact O-CA 3.47Å; S107-L129 WeakPolarHBondContact O-CB 3.41Å; S107-L129 PolarHBondContact O-N 2.84Å; S107-V130 PolarHBondContact N-O 2.94Å; S107-V130 PolarHBondContact O-N 2.85Å; S107-V130 VanDerWaalsContact O-N 3.12Å; S107-F227 WeakPolarHBondContact CA-O 3.44Å; S107-S228 WeakPolarHBondContact CB-OG 3.45Å; S107-S228 PolarHBondContact OG-OG 3.39Å
108A98.7Very high86.3Confident0 Ų063.4 Ų63.40%036%0.357CS..EExtended strand (participates in β ladder)trans-141.2161.8179.300000110.6F125 R127 Y136 T226 F227A108-F125 HydrophobicContact CB-CB 3.71Å; A108-F125 WeakPolarHBondContact CB-O 3.35Å; A108-R127 CarbonylContact C-O 3.52Å; A108-R127 WeakPolarHBondContact CA-O 3.43Å; A108-Y136 HydrophobicContact CB-CD1 4.19Å; A108-Y136 HydrophobicContact CB-CE1 3.55Å; A108-T226 CarbonylContact O-C 3.6Å; A108-T226 VanDerWaalsContact O-CA 3.28Å; A108-T226 WeakPolarHBondContact O-CA 3.33Å; A108-F227 PolarHBondContact N-O 3.46Å; A108-F227 PolarHBondContact O-N 3.47Å
109K98.3Very high87.7Confident32 Ų3263 Ų6314%0.13936%0.355CS..EExtended strand (participates in β ladder)trans-135.1160.2178.469.9-177.5-168.1158.20112.5F125 D126 R127 L129 D224 S225 T226K109-F125 CarbonylContact O-C 3.59Å; K109-D126 PolarHBondContact O-N 2.72Å; K109-R127 HydrophobicContact CG-CB 3.68Å; K109-R127 PolarHBondContact N-O 2.76Å; K109-R127 WeakPolarHBondContact O-CB 3.37Å; K109-R127 PolarHBondContact O-N 2.89Å; K109-L129 HydrophobicContact CD-CD2 3.98Å; K109-L129 HydrophobicContact CG-CD2 4.37Å; K109-D224 HydrophobicContact CD-CB 4.47Å; K109-D224 WeakPolarHBondContact CD-OD1 3.39Å; K109-D224 WeakPolarHBondContact CE-OD1 3.47Å; K109-D224 IonicContact NZ-OD1 2.81Å; K109-D224 PolarHBondContact NZ-OD1 3.23Å; K109-D224 IonicContact NZ-OD2 2.74Å; K109-S225 CarbonylContact C-O 3.52Å; K109-S225 VanDerWaalsContact CA-O 3.23Å; K109-S225 WeakPolarHBondContact CA-O 3.5Å; K109-S225 WeakPolarHBondContact CB-O 3.48Å; K109-T226 HydrophobicContact CB-CG2 4Å
110R96.2Very high88.9Confident29 Ų2963.7 Ų63.711%0.10935%0.35CS..PPolyproline II helixtrans-74.4140.7176.3-67.8-72.8-74.2138.62.2111.4P124 F125 D126 A219 S225R110-P124 WeakPolarHBondContact CD-O 3.17Å; R110-P124 PolarHBondContact NH1-O 2.85Å; R110-F125 HydrophobicContact CG-CD1 3.76Å; R110-F125 HydrophobicContact CG-CE1 3.86Å; R110-F125 HydrophobicContact CG-CG 4.35Å; R110-D126 IonicContact NH1-OD1 3.8Å; R110-A219 HydrophobicContact CB-CB 4.06Å; R110-S225 PolarHBondContact N-O 3.44Å
111S95.1Very high90.2Very high37 Ų3760.7 Ų60.726%0.25934%0.335SS..PPolyproline II helixtrans-70.8157160.3-76.20000112.4S113 D126 R127S111-S113 PolarHBondContact O-N 3.08Å; S111-D126 WeakPolarHBondContact CB-OD2 3.27Å; S111-D126 PolarHBondContact N-OD1 3.3Å; S111-D126 PolarHBondContact OG-OD2 3.21Å; S111-R127 VanDerWaalsContact OG-CD 3.29Å; S111-R127 WeakPolarHBondContact OG-CD 3.21Å; S111-R127 VanDerWaalsContact OG-CG 3.26Å; S111-R127 WeakPolarHBondContact OG-CG 3.42Å
112E94.5Very high91.4Very high111 Ų11157.6 Ų57.652%0.51932%0.315SS..PPolyproline II helixtrans-63.5117.2170.4-59-176.4-114.800109.1S220 I221E112-S220 WeakPolarHBondContact OE2-CA 3.34Å; E112-I221 PolarHBondContact OE2-N 3.17Å
113S89.1Confident91.9Very high50 Ų5056.1 Ų56.135%0.3531%0.306SS..  trans-125.6139.2180-177.20000111.3S111 V115S111-S113 PolarHBondContact O-N 3.08Å; S113-V115 PolarHBondContact OG-N 2.78Å; S113-V115 PolarHBondContact OG-O 2.74Å
114R83.4Confident92Very high228 Ų22852.8 Ų52.886%0.8630%0.297SS*.SBendtrans-93.2-15.9165.1-66.1-176.3-179.5-1120.1112.3
115V87.4Confident92Very high108 Ų10852.6 Ų52.666%0.65530%0.296SS*.SBendtrans-82.6130.4178.3-173.90000108.2S113S113-V115 PolarHBondContact OG-N 2.78Å; S113-V115 PolarHBondContact OG-O 2.74Å
116P85.7Confident92Very high87 Ų8754 Ų5457%0.56530%0.298SS*.PPolyproline II helixtrans-49.6140.2170.8-28.136.4000111.2I215P116-I215 HydrophobicContact CB-CD1 3.88Å
117P84.3Confident91.9Very high17 Ų1759.1 Ų59.111%0.1132%0.317CS..PPolyproline II helixtrans-62.8152.8173.831-36.9000110.3S119 L123 I215 I217P117-S119 PolarHBondContact O-N 3.43Å; P117-L123 HydrophobicContact CB-CD1 3.36Å; P117-L123 HydrophobicContact CG-CD1 4.47Å; P117-I215 HydrophobicContact CG-CB 3.75Å; P117-I215 HydrophobicContact CG-CG2 4.18Å; P117-I215 WeakPolarHBondContact CG-O 3.31Å; P117-I217 HydrophobicContact CB-CG2 4.28Å; P117-I217 HydrophobicContact CG-CG2 4Å
118P82.9Confident91.9Very high63 Ų6361.4 Ų61.441%0.40933%0.33SS..PPolyproline II helixtrans-56.7132.5169-21.633.1000110.7A121P118-A121 HydrophobicContact CB-CB 4.03Å
119S80.5Confident91.9Very high56 Ų5666.2 Ų66.239%0.39236%0.355SS..SBendtrans-85.8151.7161.758.60000109.2P117 A121P117-S119 PolarHBondContact O-N 3.43Å; S119-A121 PolarHBondContact O-N 2.94Å; S119-A121 VanDerWaalsContact O-N 3.09Å
120D83.7Confident91.9Very high123 Ų12367.7 Ų67.766%0.65837%0.367SS*.SBendtrans59.520.2176.3-51.8-51.4000115.6
121A92.8Very high92Very high34 Ų3468 Ų6828%0.28137%0.371SS..SBendtrans-136.4157.1173.200000110.3P118 S119 L123P118-A121 HydrophobicContact CB-CB 4.03Å; S119-A121 PolarHBondContact O-N 2.94Å; S119-A121 VanDerWaalsContact O-N 3.09Å; A121-L123 PolarHBondContact O-N 2.82Å
122P96Very high92.1Very high33 Ų3373 Ų7321%0.21439%0.39CS..BIsolated β-bridgetrans-52132.1172-2633.8000111.6P124 T140 K142 W206P122-P124 WeakPolarHBondContact O-CD 3.43Å; P122-T140 VanDerWaalsContact CB-O 3.24Å; P122-T140 WeakPolarHBondContact CB-O 3.3Å; P122-K142 HydrophobicContact CB-CG 4.23Å; P122-K142 HydrophobicContact CG-CD 4.46Å; P122-K142 HydrophobicContact CG-CG 4.18Å; P122-W206 HydrophobicContact CB-CB 4.13Å; P122-W206 HydrophobicContact CB-CG 3.89Å; P122-W206 HydrophobicContact CG-CD2 4.22Å; P122-W206 HydrophobicContact CG-CG 3.97Å
123L95.3Very high92.2Very high1 Ų170.4 Ų70.41%0.00538%0.378CS..  trans-83.7115.5-179.3-171.369.8000109.3P117 A121 F125 V207 I217P117-L123 HydrophobicContact CB-CD1 3.36Å; P117-L123 HydrophobicContact CG-CD1 4.47Å; A121-L123 PolarHBondContact O-N 2.82Å; L123-F125 HydrophobicContact CB-CE2 4.32Å; L123-F125 HydrophobicContact CD2-CE2 4.07Å; L123-F125 HydrophobicContact CD2-CZ 4.09Å; L123-F125 HydrophobicContact CG-CE2 4.29Å; L123-F125 VanDerWaalsContact O-CD2 3.28Å; L123-F125 WeakPolarHBondContact O-CD2 3.29Å; L123-F125 PolarHBondContact O-N 3.35Å; L123-V207 WeakPolarHBondContact CB-O 3.44Å; L123-V207 HydrophobicContact CD2-CG1 4.48Å; L123-V207 PolarHBondContact N-O 3.33Å; L123-I217 HydrophobicContact CD1-CG2 4.47Å; L123-I217 HydrophobicContact CD2-CD1 3.48Å; L123-I217 VanDerWaalsContact CD2-CD1 3.48Å; L123-I217 HydrophobicContact CD2-CG2 3.97Å
124P95.5Very high92.6Very high31 Ų3170.4 Ų70.420%0.20139%0.386CS..  trans-75.2119.8-175.327-31.9000110.9R110 P122R110-P124 WeakPolarHBondContact CD-O 3.17Å; R110-P124 PolarHBondContact NH1-O 2.85Å; P122-P124 WeakPolarHBondContact O-CD 3.43Å
125F97.6Very high93.3Very high0 Ų061.1 Ų61.10%035%0.352CS..  trans-94.890.2163.3-62.1-108.6000107A108 K109 R110 L123 Y136 V155 V207 I217 S225 F227A108-F125 HydrophobicContact CB-CB 3.71Å; A108-F125 WeakPolarHBondContact CB-O 3.35Å; K109-F125 CarbonylContact O-C 3.59Å; R110-F125 HydrophobicContact CG-CD1 3.76Å; R110-F125 HydrophobicContact CG-CE1 3.86Å; R110-F125 HydrophobicContact CG-CG 4.35Å; L123-F125 HydrophobicContact CB-CE2 4.32Å; L123-F125 HydrophobicContact CD2-CE2 4.07Å; L123-F125 HydrophobicContact CD2-CZ 4.09Å; L123-F125 HydrophobicContact CG-CE2 4.29Å; L123-F125 VanDerWaalsContact O-CD2 3.28Å; L123-F125 WeakPolarHBondContact O-CD2 3.29Å; L123-F125 PolarHBondContact O-N 3.35Å; F125-Y136 WeakPolarHBondContact CA-OH 3.48Å; F125-Y136 VanDerWaalsContact CB-OH 3.29Å; F125-Y136 WeakPolarHBondContact CB-OH 3.48Å; F125-Y136 PolarHBondContact N-OH 2.8Å; F125-Y136 VanDerWaalsContact N-OH 3.12Å; F125-Y136 WeakPolarHBondContact O-CE1 3.14Å; F125-Y136 PolarHBondContact O-OH 2.78Å; F125-V155 HydrophobicContact CZ-CG1 4.46Å; F125-V207 HydrophobicContact CE2-CB 3.95Å; F125-V207 HydrophobicContact CE2-CG1 4.42Å; F125-V207 HydrophobicContact CE2-CG2 3.95Å; F125-V207 HydrophobicContact CZ-CB 4.49Å; F125-V207 HydrophobicContact CZ-CG2 4.34Å; F125-I217 HydrophobicContact CE1-CD1 4.48Å; F125-I217 HydrophobicContact CZ-CD1 4.2Å; F125-S225 WeakPolarHBondContact CD1-O 3.28Å; F125-F227 HydrophobicContact CD1-CB 3.69Å; F125-F227 HydrophobicContact CD2-CB 3.69Å; F125-F227 HydrophobicContact CD2-CD1 4.03Å; F125-F227 HydrophobicContact CD2-CG 4.28Å; F125-F227 HydrophobicContact CE1-CB 3.7Å; F125-F227 HydrophobicContact CE2-CB 3.71Å; F125-F227 HydrophobicContact CE2-CD1 4.26Å; F125-F227 HydrophobicContact CE2-CG 4.25Å; F125-F227 HydrophobicContact CG-CB 3.7Å; F125-F227 HydrophobicContact CZ-CB 3.72Å
126D96.7Very high93.8Very high67 Ų6756.1 Ų56.136%0.35832%0.322SS..  trans-83.3-14.4-162.858.6-59.8000113.8K109 R110 S111K109-D126 PolarHBondContact O-N 2.72Å; R110-D126 IonicContact NH1-OD1 3.8Å; S111-D126 WeakPolarHBondContact CB-OD2 3.27Å; S111-D126 PolarHBondContact N-OD1 3.3Å; S111-D126 PolarHBondContact OG-OD2 3.21Å
127R97.7Very high94.4Very high114 Ų11455.2 Ų55.243%0.4331%0.312SS..EExtended strand (participates in β ladder)trans-101.897.9177-61.6-177.564.6-178.85110.6A108 K109 S111A108-R127 CarbonylContact C-O 3.52Å; A108-R127 WeakPolarHBondContact CA-O 3.43Å; K109-R127 HydrophobicContact CG-CB 3.68Å; K109-R127 PolarHBondContact N-O 2.76Å; K109-R127 WeakPolarHBondContact O-CB 3.37Å; K109-R127 PolarHBondContact O-N 2.89Å; S111-R127 VanDerWaalsContact OG-CD 3.29Å; S111-R127 WeakPolarHBondContact OG-CD 3.21Å; S111-R127 VanDerWaalsContact OG-CG 3.26Å; S111-R127 WeakPolarHBondContact OG-CG 3.42Å
128V98.4Very high95.1Very high68 Ų6855.6 Ų55.641%0.41232%0.316SS..EExtended strand (participates in β ladder)trans-66.9131.8176.7178.70000110.8N131 A138V128-N131 HydrophobicContact CG1-CB 3.51Å; V128-A138 HydrophobicContact CG2-CB 3.75Å
129L98.4Very high95.7Very high102 Ų10258.8 Ų58.853%0.53433%0.334SS..EExtended strand (participates in β ladder)trans-96-45.8169.7-60.1178.8000110.8S107 K109S107-L129 WeakPolarHBondContact O-CA 3.47Å; S107-L129 WeakPolarHBondContact O-CB 3.41Å; S107-L129 PolarHBondContact O-N 2.84Å; K109-L129 HydrophobicContact CD-CD2 3.98Å; K109-L129 HydrophobicContact CG-CD2 4.37Å
130V98.4Very high96.4Very high62 Ų6259.1 Ų59.138%0.37633%0.334SS..EExtended strand (participates in β ladder)trans-149.9137.5173.561.40000108.9F106 S107 E132F106-V130 CarbonylContact C-O 3.51Å; F106-V130 VanDerWaalsContact CA-O 3.23Å; F106-V130 WeakPolarHBondContact CA-O 3.41Å; S107-V130 PolarHBondContact N-O 2.94Å; S107-V130 PolarHBondContact O-N 2.85Å; S107-V130 VanDerWaalsContact O-N 3.12Å; V130-E132 HydrophobicContact CG2-CG 3.99Å
131N98.2Very high97.1Very high37 Ų3753.3 Ų53.320%0.19830%0.303CS..  trans-163.351.1178.2-172.828.7000109.8F106 V128 Q133 G134 H135 Y136F106-N131 HydrophobicContact CB-CB 4.41Å; V128-N131 HydrophobicContact CG1-CB 3.51Å; N131-Q133 PolarHBondContact O-N 2.79Å; N131-G134 PolarHBondContact O-N 2.91Å; N131-H135 PolarHBondContact OD1-N 3.19Å; N131-Y136 PolarHBondContact ND2-O 2.99Å; N131-Y136 PolarHBondContact OD1-N 2.81Å
132E96.7Very high97.4Very high142 Ų14254 Ų5466%0.66430%0.3SS*.THydrogen-bonded Turntrans-57.6-33.5-170.3-66.8176.6164.600113.3V130V130-E132 HydrophobicContact CG2-CG 3.99Å
133Q96.5Very high97.5Very high55 Ų5552.4 Ų52.426%0.25729%0.289SS..THydrogen-bonded Turntrans-87.3-8.4179.4-61.981.142.500113.7R103 A105 N131 H135R103-Q133 WeakPolarHBondContact O-CG 3.21Å; A105-Q133 PolarHBondContact O-OE1 2.9Å; N131-Q133 PolarHBondContact O-N 2.79Å; Q133-H135 PolarHBondContact O-CD2 3.04Å; Q133-H135 VanDerWaalsContact O-CD2 3.27Å; Q133-H135 PolarHBondContact O-N 2.97Å
134G97.8Very high97.7Very high51 Ų5153.7 Ų53.753%0.52630%0.297SS..  trans66.815.9-17800000114.7N131 Y136N131-G134 PolarHBondContact O-N 2.91Å; G134-Y136 VanDerWaalsContact C-N 3.29Å; G134-Y136 PolarHBondContact O-N 2.88Å
135H98.4Very high97.8Very high32 Ų3252.2 Ų52.215%0.14829%0.288CS..  trans-74.5-18.4-178.6-63168.9000113.2S104 N131 Q133 F143 T144 Q146S104-H135 WeakPolarHBondContact CB-ND1 3.26Å; S104-H135 PolarHBondContact OG-ND1 2.87Å; N131-H135 PolarHBondContact OD1-N 3.19Å; Q133-H135 PolarHBondContact O-CD2 3.04Å; Q133-H135 VanDerWaalsContact O-CD2 3.27Å; Q133-H135 PolarHBondContact O-N 2.97Å; H135-F143 HydrophobicContact CB-CD2 3.97Å; H135-F143 HydrophobicContact CB-CE2 3.51Å; H135-F143 HydrophobicContact CB-CZ 4.27Å; H135-F143 WeakPolarHBondContact O-CA 3.47Å; H135-T144 PolarHBondContact O-N 2.73Å; H135-Q146 WeakPolarHBondContact NE2-CG 3.23Å
136Y98.7Very high97.7Very high4 Ų456.4 Ų56.42%0.01631%0.307CS..EExtended strand (participates in β ladder)trans-98.6129.2171.3175.7-102.3000111F106 A108 F125 N131 G134 A138 F143 F227F106-Y136 HydrophobicContact CB-CG 4.35Å; F106-Y136 AromaticContact CD2-CD1 3.91Å; F106-Y136 HydrophobicContact CD2-CD1 3.91Å; F106-Y136 AromaticContact CD2-CD2 3.57Å; F106-Y136 HydrophobicContact CD2-CD2 3.57Å; F106-Y136 HydrophobicContact CD2-CE2 4.26Å; F106-Y136 AromaticContact CD2-CG 3.38Å; F106-Y136 HydrophobicContact CD2-CG 3.38Å; F106-Y136 HydrophobicContact CE2-CD1 4.45Å; F106-Y136 AromaticContact CE2-CD2 3.39Å; F106-Y136 HydrophobicContact CE2-CD2 3.39Å; F106-Y136 AromaticContact CE2-CE2 3.84Å; F106-Y136 HydrophobicContact CE2-CE2 3.84Å; F106-Y136 AromaticContact CE2-CG 3.76Å; F106-Y136 HydrophobicContact CE2-CG 3.76Å; F106-Y136 VanDerWaalsContact CG-CB 3.44Å; F106-Y136 HydrophobicContact CG-CD2 4.25Å; F106-Y136 AromaticContact CG-CG 3.86Å; F106-Y136 HydrophobicContact CG-CG 3.86Å; F106-Y136 AromaticContact CZ-CD2 3.94Å; F106-Y136 HydrophobicContact CZ-CD2 3.94Å; A108-Y136 HydrophobicContact CB-CD1 4.19Å; A108-Y136 HydrophobicContact CB-CE1 3.55Å; F125-Y136 WeakPolarHBondContact CA-OH 3.48Å; F125-Y136 VanDerWaalsContact CB-OH 3.29Å; F125-Y136 WeakPolarHBondContact CB-OH 3.48Å; F125-Y136 PolarHBondContact N-OH 2.8Å; F125-Y136 VanDerWaalsContact N-OH 3.12Å; F125-Y136 WeakPolarHBondContact O-CE1 3.14Å; F125-Y136 PolarHBondContact O-OH 2.78Å; N131-Y136 PolarHBondContact ND2-O 2.99Å; N131-Y136 PolarHBondContact OD1-N 2.81Å; G134-Y136 VanDerWaalsContact C-N 3.29Å; G134-Y136 PolarHBondContact O-N 2.88Å; Y136-A138 HydrophobicContact CD1-CB 4.44Å; Y136-A138 HydrophobicContact CE1-CB 3.9Å; Y136-F143 HydrophobicContact CD2-CB 4.39Å; Y136-F227 HydrophobicContact CE2-CD1 4.1Å; Y136-F227 HydrophobicContact CE2-CE1 4.21Å
137D98.4Very high97.6Very high68 Ų6853.8 Ų53.836%0.36429%0.294SS..EExtended strand (participates in β ladder)trans-100.2109.3173.9176.5-2.9000109.8V139 T140 G141 K142D137-V139 PolarHBondContact O-N 3.27Å; D137-V139 WeakPolarHBondContact OD1-CA 3.41Å; D137-V139 WeakPolarHBondContact OD1-CB 3.2Å; D137-V139 PolarHBondContact OD1-N 2.71Å; D137-T140 VanDerWaalsContact CB-OG1 3.3Å; D137-T140 WeakPolarHBondContact CB-OG1 3.32Å; D137-T140 PolarHBondContact O-N 2.8Å; D137-T140 PolarHBondContact OD1-N 3.15Å; D137-T140 WeakPolarHBondContact OD2-CG2 3.47Å; D137-T140 PolarHBondContact OD2-OG1 3.35Å; D137-G141 WeakPolarHBondContact O-CA 3.39Å; D137-G141 PolarHBondContact O-N 2.94Å; D137-K142 PolarHBondContact N-O 2.68Å; D137-K142 PolarHBondContact O-N 3.4Å
138A97.8Very high97.5Very high24 Ų2448.9 Ų48.920%0.19828%0.277CS..THydrogen-bonded Turntrans-70.1-18.3-178.200000113.9V128 Y136V128-A138 HydrophobicContact CG2-CB 3.75Å; Y136-A138 HydrophobicContact CD1-CB 4.44Å; Y136-A138 HydrophobicContact CE1-CB 3.9Å
139V96Very high97.4Very high130 Ų13045.6 Ų45.679%0.78826%0.257SS*.THydrogen-bonded Turntrans-78.3-46.4176.3-179.10000109.8D137D137-V139 PolarHBondContact O-N 3.27Å; D137-V139 WeakPolarHBondContact OD1-CA 3.41Å; D137-V139 WeakPolarHBondContact OD1-CB 3.2Å; D137-V139 PolarHBondContact OD1-N 2.71Å
140T96.3Very high97.3Very high64 Ų6441.4 Ų41.439%0.39324%0.236SC..THydrogen-bonded Turntrans-87.1-17.9-178.6610000113.5P122 D137 K142P122-T140 VanDerWaalsContact CB-O 3.24Å; P122-T140 WeakPolarHBondContact CB-O 3.3Å; D137-T140 VanDerWaalsContact CB-OG1 3.3Å; D137-T140 WeakPolarHBondContact CB-OG1 3.32Å; D137-T140 PolarHBondContact O-N 2.8Å; D137-T140 PolarHBondContact OD1-N 3.15Å; D137-T140 WeakPolarHBondContact OD2-CG2 3.47Å; D137-T140 PolarHBondContact OD2-OG1 3.35Å; T140-K142 VanDerWaalsContact C-N 3.27Å; T140-K142 PolarHBondContact O-N 3.2Å
141G97.5Very high97.4Very high0 Ų038.5 Ų38.50%022%0.218CC..THydrogen-bonded Turntrans75.214.6-175.600000114D137 W206D137-G141 WeakPolarHBondContact O-CA 3.39Å; D137-G141 PolarHBondContact O-N 2.94Å; G141-W206 WeakPolarHBondContact O-CB 3.23Å
142K98.5Very high97.4Very high48 Ų4840.8 Ų40.821%0.20922%0.224CC..EExtended strand (participates in β ladder)trans-109.1136-174.7-63.8-175.2169.2-168.90111.7P122 D137 T140 W206P122-K142 HydrophobicContact CB-CG 4.23Å; P122-K142 HydrophobicContact CG-CD 4.46Å; P122-K142 HydrophobicContact CG-CG 4.18Å; D137-K142 PolarHBondContact N-O 2.68Å; D137-K142 PolarHBondContact O-N 3.4Å; T140-K142 VanDerWaalsContact C-N 3.27Å; T140-K142 PolarHBondContact O-N 3.2Å; K142-W206 HydrophobicContact CD-CE3 4.24Å; K142-W206 HydrophobicContact CG-CB 4.09Å; K142-W206 HydrophobicContact CG-CD2 4.39Å; K142-W206 HydrophobicContact CG-CE3 4.18Å; K142-W206 HydrophobicContact CG-CG 4.4Å
143F98.8Very high97.5Very high0 Ų034 Ų340%019%0.193CC..EExtended strand (participates in β ladder)trans-87.4132.4160.3172.8-94.8000109S104 F106 H135 Y136 C145 Y151 F153 L199 Q204 V205S104-F143 WeakPolarHBondContact OG-CE2 3.34Å; S104-F143 WeakPolarHBondContact OG-CZ 3.41Å; F106-F143 HydrophobicContact CD1-CB 4.46Å; F106-F143 AromaticContact CD1-CD2 3.42Å; F106-F143 HydrophobicContact CD1-CD2 3.42Å; F106-F143 VanDerWaalsContact CD1-CD2 3.42Å; F106-F143 AromaticContact CD1-CE2 4Å; F106-F143 HydrophobicContact CD1-CE2 4Å; F106-F143 HydrophobicContact CD1-CG 4.22Å; F106-F143 HydrophobicContact CE1-CB 3.72Å; F106-F143 AromaticContact CE1-CD2 3.37Å; F106-F143 HydrophobicContact CE1-CD2 3.37Å; F106-F143 HydrophobicContact CE1-CE2 4.18Å; F106-F143 AromaticContact CE1-CG 3.71Å; F106-F143 HydrophobicContact CE1-CG 3.71Å; F106-F143 HydrophobicContact CG-CD2 4.48Å; F106-F143 HydrophobicContact CZ-CB 4Å; F106-F143 HydrophobicContact CZ-CD2 4.41Å; F106-F143 HydrophobicContact CZ-CG 4.47Å; H135-F143 HydrophobicContact CB-CD2 3.97Å; H135-F143 HydrophobicContact CB-CE2 3.51Å; H135-F143 HydrophobicContact CB-CZ 4.27Å; H135-F143 WeakPolarHBondContact O-CA 3.47Å; Y136-F143 HydrophobicContact CD2-CB 4.39Å; F143-C145 HydrophobicContact CE1-CB 4.1Å; F143-Y151 HydrophobicContact CE1-CD1 4.2Å; F143-Y151 AromaticContact CE1-CE1 3.97Å; F143-Y151 HydrophobicContact CE1-CE1 3.97Å; F143-Y151 HydrophobicContact CE2-CE1 4.48Å; F143-Y151 HydrophobicContact CZ-CD1 4.03Å; F143-Y151 AromaticContact CZ-CE1 3.49Å; F143-Y151 HydrophobicContact CZ-CE1 3.49Å; F143-Y151 VanDerWaalsContact CZ-CE1 3.49Å; F143-F153 HydrophobicContact CB-CE1 4.2Å; F143-F153 AromaticContact CD1-CE1 3.92Å; F143-F153 HydrophobicContact CD1-CE1 3.92Å; F143-F153 AromaticContact CD1-CZ 3.66Å; F143-F153 HydrophobicContact CD1-CZ 3.66Å; F143-F153 AromaticContact CE1-CZ 3.98Å; F143-F153 HydrophobicContact CE1-CZ 3.98Å; F143-F153 HydrophobicContact CG-CE1 4.03Å; F143-F153 HydrophobicContact CG-CZ 4.25Å; F143-L199 HydrophobicContact CD1-CD1 4.21Å; F143-L199 HydrophobicContact CE1-CD1 3.75Å; F143-Q204 CarbonylContact O-C 3.48Å; F143-Q204 VanDerWaalsContact O-CA 3.22Å; F143-Q204 WeakPolarHBondContact O-CA 3.37Å; F143-V205 HydrophobicContact CD1-CB 4.4Å; F143-V205 PolarHBondContact N-O 3.31Å; F143-V205 PolarHBondContact O-N 3.19Å
144T98.7Very high97.6Very high28 Ų2831.8 Ų31.817%0.17218%0.183CC..EExtended strand (participates in β ladder)trans-116120.3173.9-54.50000109.1H135 Q204H135-T144 PolarHBondContact O-N 2.73Å; T144-Q204 HydrophobicContact CG2-CG 4.22Å; T144-Q204 PolarHBondContact OG1-NE2 3.18Å
145C98.1Very high97.6Very high0 Ų029.3 Ų29.30%016%0.158CC..  trans-67.4133.6-177.8-174.40000111.3F143 V147 L199 E200 P201 E202 D203F143-C145 HydrophobicContact CE1-CB 4.1Å; C145-V147 PolarHBondContact SG-O 2.87Å; C145-L199 HydrophobicContact CB-CB 3.98Å; C145-L199 HydrophobicContact CB-CD1 4.12Å; C145-L199 VanDerWaalsContact SG-CB 3.59Å; C145-E200 VanDerWaalsContact CB-O 3.22Å; C145-E200 WeakPolarHBondContact CB-O 3.34Å; C145-E200 PolarHBondContact SG-O 2.83Å; C145-P201 WeakPolarHBondContact O-CA 3.49Å; C145-E202 PolarHBondContact O-N 3.49Å; C145-D203 HydrophobicContact CB-CB 4.25Å; C145-D203 VanDerWaalsContact CB-O 3.32Å; C145-D203 WeakPolarHBondContact CB-O 3.41Å; C145-D203 PolarHBondContact N-O 3.01Å
146Q96Very high97.7Very high88 Ų8832.3 Ų32.341%0.41117%0.172SC..  trans-117.8-17.4172-64-62.1-47.900112.5H135 E202H135-Q146 WeakPolarHBondContact NE2-CG 3.23Å; Q146-E202 PolarHBondContact NE2-OE1 2.88Å
147V94.9Very high97.6Very high12 Ų1232.3 Ų32.37%0.07317%0.173CC..SBendtrans-122.9117.2-176.8-179.50000108.4P102 C145 Y151 L231P102-V147 HydrophobicContact CB-CB 4.4Å; P102-V147 HydrophobicContact CB-CG1 3.61Å; P102-V147 HydrophobicContact CB-CG2 3.89Å; P102-V147 HydrophobicContact CG-CG1 3.53Å; C145-V147 PolarHBondContact SG-O 2.87Å; V147-Y151 VanDerWaalsContact O-CE2 3.29Å; V147-Y151 WeakPolarHBondContact O-CE2 3.36Å; V147-Y151 PolarHBondContact O-OH 2.86Å; V147-L231 HydrophobicContact CB-CD2 4.29Å; V147-L231 HydrophobicContact CG1-CD2 3.71Å
148P95.5Very high97.6Very high11 Ų1129.9 Ų29.97%0.07116%0.161CC..  trans-63.7139.8177.626.4-32.3000110.6L199 S234 D235 W236P148-L199 WeakPolarHBondContact CA-O 3.3Å; P148-S234 CarbonylContact O-C 3.59Å; P148-S234 VanDerWaalsContact O-CA 3.31Å; P148-S234 WeakPolarHBondContact O-CA 3.37Å; P148-D235 HydrophobicContact CB-CB 4.45Å; P148-D235 PolarHBondContact O-N 2.92Å; P148-W236 VanDerWaalsContact CG-CD1 3.43Å; P148-W236 HydrophobicContact CG-CG 4.41Å
149G95.7Very high97.6Very high0 Ų028.8 Ų28.80%015%0.151CC..EExtended strand (participates in β ladder)trans158.5-165.7178.100000113.2R198 L199 Y233G149-R198 WeakPolarHBondContact O-CA 3.29Å; G149-L199 PolarHBondContact N-O 2.85Å; G149-L199 PolarHBondContact O-N 3.48Å; G149-Y233 VanDerWaalsContact CA-O 3.29Å; G149-Y233 WeakPolarHBondContact CA-O 3.35Å
150V97.5Very high97.6Very high14 Ų1425.4 Ų25.49%0.08513%0.125CC..EExtended strand (participates in β ladder)trans-101.7127.6176.4176.50000110.3M196 R198 V232 Y233V150-M196 HydrophobicContact CG1-CB 4.32Å; V150-M196 HydrophobicContact CG1-CE 3.72Å; V150-R198 HydrophobicContact CG2-CB 4.18Å; V150-R198 HydrophobicContact CG2-CG 4.3Å; V150-V232 WeakPolarHBondContact O-CB 3.43Å; V150-V232 PolarHBondContact O-N 3.11Å; V150-Y233 HydrophobicContact CB-CD1 4.17Å; V150-Y233 HydrophobicContact CB-CE1 3.63Å; V150-Y233 HydrophobicContact CB-CE2 4.05Å; V150-Y233 HydrophobicContact CG1-CE1 4.19Å; V150-Y233 HydrophobicContact CG2-CE1 3.89Å; V150-Y233 HydrophobicContact CG2-CE2 3.74Å; V150-Y233 WeakPolarHBondContact CG2-OH 3.34Å; V150-Y233 PolarHBondContact N-O 3.3Å
151Y98.6Very high97.5Very high0 Ų029.8 Ų29.80%013%0.134CC..EExtended strand (participates in β ladder)trans-111.2150.4-179.2-73.1-102.4000110.3F143 V147 F153 M196 V197 L199 F230 L231F143-Y151 HydrophobicContact CE1-CD1 4.2Å; F143-Y151 AromaticContact CE1-CE1 3.97Å; F143-Y151 HydrophobicContact CE1-CE1 3.97Å; F143-Y151 HydrophobicContact CE2-CE1 4.48Å; F143-Y151 HydrophobicContact CZ-CD1 4.03Å; F143-Y151 AromaticContact CZ-CE1 3.49Å; F143-Y151 HydrophobicContact CZ-CE1 3.49Å; F143-Y151 VanDerWaalsContact CZ-CE1 3.49Å; V147-Y151 VanDerWaalsContact O-CE2 3.29Å; V147-Y151 WeakPolarHBondContact O-CE2 3.36Å; V147-Y151 PolarHBondContact O-OH 2.86Å; Y151-F153 VanDerWaalsContact CB-CE2 3.46Å; Y151-F153 HydrophobicContact CD1-CZ 4.42Å; Y151-F153 HydrophobicContact CG-CE2 4.26Å; Y151-F153 HydrophobicContact CG-CZ 4.45Å; Y151-M196 CarbonylContact O-C 3.55Å; Y151-M196 WeakPolarHBondContact O-CA 3.4Å; Y151-V197 PolarHBondContact N-O 3.35Å; Y151-V197 PolarHBondContact O-N 2.68Å; Y151-L199 HydrophobicContact CD1-CD1 4.41Å; Y151-L199 HydrophobicContact CD2-CB 3.86Å; Y151-L199 HydrophobicContact CD2-CD1 3.63Å; Y151-L199 HydrophobicContact CD2-CG 3.79Å; Y151-L199 HydrophobicContact CE2-CB 3.96Å; Y151-L199 HydrophobicContact CE2-CD1 4.07Å; Y151-L199 HydrophobicContact CE2-CG 4.33Å; Y151-L199 HydrophobicContact CG-CD1 3.82Å; Y151-L199 HydrophobicContact CG-CG 4.34Å; Y151-F230 CarbonylContact C-O 3.54Å; Y151-F230 VanDerWaalsContact CA-O 3.27Å; Y151-F230 WeakPolarHBondContact CA-O 3.23Å; Y151-F230 VanDerWaalsContact CD1-C 3.48Å; Y151-L231 HydrophobicContact CD1-CB 4.14Å; Y151-L231 HydrophobicContact CD2-CD1 4.03Å; Y151-L231 HydrophobicContact CE1-CB 3.69Å; Y151-L231 HydrophobicContact CE1-CD1 4.16Å; Y151-L231 HydrophobicContact CE2-CD1 3.54Å
152Y98.8Very high97.3Very high85 Ų8531.2 Ų31.233%0.33315%0.146SC..EExtended strand (participates in β ladder)trans-111.1131.9165.6177.4-110.4000109.3A154 M196 G229 F230Y152-A154 HydrophobicContact CE1-CB 3.8Å; Y152-M196 HydrophobicContact CD2-CG 3.77Å; Y152-G229 CarbonylContact O-C 3.55Å; Y152-G229 VanDerWaalsContact O-CA 3.23Å; Y152-G229 WeakPolarHBondContact O-CA 3.47Å; Y152-F230 AromaticContact CD1-CE1 3.57Å; Y152-F230 HydrophobicContact CD1-CE1 3.57Å; Y152-F230 AromaticContact CD1-CZ 3.63Å; Y152-F230 HydrophobicContact CD1-CZ 3.63Å; Y152-F230 HydrophobicContact CE1-CE1 4.41Å; Y152-F230 HydrophobicContact CG-CE1 4.46Å; Y152-F230 HydrophobicContact CG-CZ 4.25Å; Y152-F230 PolarHBondContact N-O 2.84Å; Y152-F230 PolarHBondContact O-N 2.82Å
153F98.9Very high97.3Very high1 Ų129.7 Ų29.70%0.00414%0.142CC..EExtended strand (participates in β ladder)trans-119.3140.9174.8-67.3-89.6000110F106 F143 Y151 L168 G194 A195 V197 L199 V205 F227 S228F106-F153 HydrophobicContact CE1-CD1 4.24Å; F106-F153 AromaticContact CE1-CE1 3.81Å; F106-F153 HydrophobicContact CE1-CE1 3.81Å; F106-F153 HydrophobicContact CZ-CD1 4.25Å; F106-F153 HydrophobicContact CZ-CE1 4.13Å; F143-F153 HydrophobicContact CB-CE1 4.2Å; F143-F153 AromaticContact CD1-CE1 3.92Å; F143-F153 HydrophobicContact CD1-CE1 3.92Å; F143-F153 AromaticContact CD1-CZ 3.66Å; F143-F153 HydrophobicContact CD1-CZ 3.66Å; F143-F153 AromaticContact CE1-CZ 3.98Å; F143-F153 HydrophobicContact CE1-CZ 3.98Å; F143-F153 HydrophobicContact CG-CE1 4.03Å; F143-F153 HydrophobicContact CG-CZ 4.25Å; Y151-F153 VanDerWaalsContact CB-CE2 3.46Å; Y151-F153 HydrophobicContact CD1-CZ 4.42Å; Y151-F153 HydrophobicContact CG-CE2 4.26Å; Y151-F153 HydrophobicContact CG-CZ 4.45Å; F153-L168 HydrophobicContact CB-CD1 4.2Å; F153-L168 HydrophobicContact CB-CD2 4.19Å; F153-G194 CarbonylContact O-C 3.52Å; F153-G194 WeakPolarHBondContact O-CA 3.09Å; F153-A195 PolarHBondContact N-O 3.14Å; F153-A195 PolarHBondContact O-N 2.81Å; F153-V197 HydrophobicContact CD2-CG1 3.8Å; F153-V197 HydrophobicContact CE2-CG1 3.61Å; F153-L199 HydrophobicContact CE2-CD1 3.91Å; F153-L199 HydrophobicContact CZ-CD1 3.86Å; F153-V205 HydrophobicContact CD1-CG1 3.89Å; F153-V205 HydrophobicContact CD2-CG1 4.09Å; F153-V205 HydrophobicContact CE1-CB 3.89Å; F153-V205 HydrophobicContact CE1-CG1 3.71Å; F153-V205 HydrophobicContact CE1-CG2 4.48Å; F153-V205 HydrophobicContact CE2-CB 4.18Å; F153-V205 HydrophobicContact CE2-CG1 3.94Å; F153-V205 HydrophobicContact CE2-CG2 3.93Å; F153-V205 HydrophobicContact CG-CG1 4.06Å; F153-V205 HydrophobicContact CZ-CB 3.69Å; F153-V205 HydrophobicContact CZ-CG1 3.76Å; F153-V205 HydrophobicContact CZ-CG2 3.78Å; F153-F227 HydrophobicContact CB-CE2 4.22Å; F153-F227 AromaticContact CD1-CE2 3.76Å; F153-F227 HydrophobicContact CD1-CE2 3.76Å; F153-F227 AromaticContact CD1-CZ 3.81Å; F153-F227 HydrophobicContact CD1-CZ 3.81Å; F153-F227 HydrophobicContact CE1-CZ 4.34Å; F153-F227 HydrophobicContact CG-CE2 4.43Å; F153-S228 CarbonylContact C-O 3.42Å; F153-S228 WeakPolarHBondContact CA-O 3.37Å
154A98.8Very high97.2Very high7 Ų729.8 Ų29.86%0.05814%0.142CC..EExtended strand (participates in β ladder)trans-140.9136.817800000111.3Y152 G193 F227 S228Y152-A154 HydrophobicContact CE1-CB 3.8Å; A154-G193 CarbonylContact C-O 3.54Å; A154-G193 WeakPolarHBondContact CA-O 3.41Å; A154-F227 WeakPolarHBondContact O-CA 3.47Å; A154-S228 PolarHBondContact N-O 3.4Å; A154-S228 PolarHBondContact O-N 3.5Å
155V98.7Very high97.1Very high0 Ų029.3 Ų29.30%014%0.138CC..EExtended strand (participates in β ladder)trans-117.9130172.7-179.50000107.9F125 A157 F166 L168 S192 G193 V207 T226 F227F125-V155 HydrophobicContact CZ-CG1 4.46Å; V155-A157 HydrophobicContact CG1-CB 4.38Å; V155-F166 HydrophobicContact CB-CE1 4.4Å; V155-F166 HydrophobicContact CB-CE2 3.79Å; V155-F166 HydrophobicContact CB-CZ 3.62Å; V155-F166 HydrophobicContact CG1-CE1 3.96Å; V155-F166 HydrophobicContact CG1-CE2 4.06Å; V155-F166 HydrophobicContact CG1-CZ 3.69Å; V155-F166 HydrophobicContact CG2-CE2 3.88Å; V155-F166 HydrophobicContact CG2-CZ 4.25Å; V155-L168 HydrophobicContact CG2-CD2 4.05Å; V155-S192 VanDerWaalsContact O-CA 3.23Å; V155-S192 WeakPolarHBondContact O-CA 3.41Å; V155-G193 PolarHBondContact N-O 2.81Å; V155-G193 PolarHBondContact O-N 3.12Å; V155-V207 HydrophobicContact CG2-CG1 4.45Å; V155-V207 HydrophobicContact CG2-CG2 3.43Å; V155-V207 VanDerWaalsContact CG2-CG2 3.43Å; V155-T226 VanDerWaalsContact CA-O 3.31Å; V155-T226 WeakPolarHBondContact CA-O 3.2Å; V155-F227 HydrophobicContact CG2-CD2 3.67Å; V155-F227 HydrophobicContact CG2-CE2 4.26Å; V155-F227 HydrophobicContact CG2-CG 4.39Å
156H98.8Very high97.1Very high94 Ų9429.4 Ų29.444%0.43514%0.138SC..EExtended strand (participates in β ladder)trans-121.6103.9169.7-58.1-76.1000108S192 S225 T226H156-S192 PolarHBondContact ND1-OG 2.8Å; H156-S225 CarbonylContact O-C 3.59Å; H156-S225 VanDerWaalsContact O-CA 3.25Å; H156-S225 WeakPolarHBondContact O-CA 3.33Å; H156-T226 PolarHBondContact N-O 3.41Å; H156-T226 PolarHBondContact O-N 3.49Å
157A98.2Very high97.2Very high4 Ų426 Ų263%0.03312%0.123CC..EExtended strand (participates in β ladder)trans-105.9138.8-17400000111.8V155 L164 S190 L191 I217 S225V155-A157 HydrophobicContact CG1-CB 4.38Å; A157-L164 HydrophobicContact CB-CD2 3.56Å; A157-S190 CarbonylContact O-C 3.56Å; A157-S190 WeakPolarHBondContact O-CA 3.42Å; A157-L191 HydrophobicContact CB-CB 4.48Å; A157-L191 PolarHBondContact N-O 2.84Å; A157-L191 PolarHBondContact O-N 2.88Å; A157-I217 HydrophobicContact CB-CD1 4.1Å; A157-I217 HydrophobicContact CB-CG1 4.08Å; A157-S225 WeakPolarHBondContact CA-OG 2.97Å
158T98.2Very high97.4Very high18 Ų1825.4 Ų25.411%0.1112%0.119CC..EExtended strand (participates in β ladder)trans-83.8132.8161-620000108.6P188 Y218 T223 D224 S225T158-P188 HydrophobicContact CG2-CB 3.42Å; T158-P188 VanDerWaalsContact CG2-CB 3.42Å; T158-P188 HydrophobicContact CG2-CG 4.12Å; T158-Y218 WeakPolarHBondContact CB-O 3.45Å; T158-Y218 HydrophobicContact CG2-CD1 4.3Å; T158-Y218 PolarHBondContact O-N 3.23Å; T158-T223 HydrophobicContact CG2-CG2 4.22Å; T158-D224 PolarHBondContact OG1-O 2.99Å; T158-S225 PolarHBondContact N-OG 3.49Å
159V97.4Very high97.5Very high0 Ų024.9 Ų24.90%012%0.116CC..EExtended strand (participates in β ladder)trans-112121.8-176.8-176.70000110.3A162 L164 Q180 F182 P188 A189 L191 G216V159-A162 WeakPolarHBondContact CG1-O 3.41Å; V159-L164 HydrophobicContact CB-CB 4.43Å; V159-L164 HydrophobicContact CG1-CB 3.85Å; V159-L164 HydrophobicContact CG2-CB 3.79Å; V159-L164 HydrophobicContact CG2-CD2 3.81Å; V159-L164 HydrophobicContact CG2-CG 4.44Å; V159-Q180 HydrophobicContact CB-CG 4.34Å; V159-Q180 HydrophobicContact CG1-CG 4.33Å; V159-Q180 HydrophobicContact CG2-CB 4.11Å; V159-Q180 HydrophobicContact CG2-CG 4.04Å; V159-F182 HydrophobicContact CG1-CB 4.18Å; V159-P188 CarbonylContact O-C 3.08Å; V159-P188 VanDerWaalsContact O-CA 3.26Å; V159-P188 WeakPolarHBondContact O-CA 3.22Å; V159-A189 HydrophobicContact CB-CB 4.31Å; V159-A189 PolarHBondContact N-O 3.03Å; V159-A189 PolarHBondContact O-N 2.83Å; V159-L191 HydrophobicContact CG2-CB 3.74Å; V159-G216 CarbonylContact C-O 3.52Å; V159-G216 VanDerWaalsContact CA-O 3.29Å; V159-G216 WeakPolarHBondContact CA-O 2.94Å
160Y96.1Very high97.6Very high60 Ų6027.4 Ų27.424%0.23513%0.127CC..EExtended strand (participates in β ladder)trans-152150.3-178.8-165-134000113A162 F182 P188 G216 Y218Y160-A162 PolarHBondContact O-N 3.12Å; Y160-F182 AromaticContact CD2-CE2 3.74Å; Y160-F182 HydrophobicContact CD2-CE2 3.74Å; Y160-F182 AromaticContact CD2-CZ 3.6Å; Y160-F182 HydrophobicContact CD2-CZ 3.6Å; Y160-F182 HydrophobicContact CE2-CE2 4.35Å; Y160-F182 AromaticContact CE2-CZ 3.91Å; Y160-F182 HydrophobicContact CE2-CZ 3.91Å; Y160-P188 HydrophobicContact CD1-CG 4.4Å; Y160-P188 HydrophobicContact CD2-CB 4.18Å; Y160-P188 HydrophobicContact CD2-CG 3.87Å; Y160-P188 HydrophobicContact CE2-CG 4.41Å; Y160-P188 HydrophobicContact CG-CB 4.27Å; Y160-P188 HydrophobicContact CG-CG 3.89Å; Y160-G216 PolarHBondContact N-O 2.83Å; Y160-Y218 AromaticContact CD1-CD1 3.92Å; Y160-Y218 HydrophobicContact CD1-CD1 3.92Å; Y160-Y218 HydrophobicContact CD1-CD2 4.33Å; Y160-Y218 AromaticContact CD1-CE1 3.74Å; Y160-Y218 HydrophobicContact CD1-CE1 3.74Å; Y160-Y218 HydrophobicContact CD1-CE2 4.22Å; Y160-Y218 HydrophobicContact CD1-CG 4.21Å; Y160-Y218 AromaticContact CD1-CZ 3.94Å; Y160-Y218 HydrophobicContact CE1-CE1 4.46Å; Y160-Y218 HydrophobicContact CG-CD1 4.26Å; Y160-Y218 HydrophobicContact CG-CE1 4.49Å; Y160-Y218 HydrophobicContact CG-CG 4.46Å
161R93.5Very high97.6Very high155 Ų15530.7 Ų30.759%0.58514%0.144SC*.EExtended strand (participates in β ladder)trans67.8-29.9179.2-53.1-178.9179.2175.8-0.5116.2F182R161-F182 VanDerWaalsContact N-CE1 3.31Å
162A94.8Very high97.5Very high31 Ų3133 Ų3326%0.25617%0.167SC..EExtended strand (participates in β ladder)trans-142.3165.9173.200000109.7V159 Y160 F182 G216V159-A162 WeakPolarHBondContact CG1-O 3.41Å; Y160-A162 PolarHBondContact O-N 3.12Å; A162-F182 VanDerWaalsContact C-CB 3.45Å; A162-F182 WeakPolarHBondContact O-CB 3.25Å; A162-G216 WeakPolarHBondContact O-CA 3.41Å
163S97.1Very high97.4Very high16 Ų1636.3 Ų36.311%0.11219%0.186CC..EExtended strand (participates in β ladder)trans-64.9157.2168.4-60.90000109.7Q180 F182 Y214 I215 G216S163-Q180 WeakPolarHBondContact CA-O 3.24Å; S163-Q180 WeakPolarHBondContact CB-O 3.15Å; S163-F182 PolarHBondContact OG-N 3Å; S163-Y214 CarbonylContact O-C 3.51Å; S163-Y214 WeakPolarHBondContact O-CA 3.27Å; S163-I215 PolarHBondContact O-N 3.11Å; S163-G216 WeakPolarHBondContact O-CA 3.01Å; S163-G216 PolarHBondContact O-N 3.27Å
164L97.4Very high97.3Very high1 Ų139.1 Ų39.11%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-119.8130.4177.8177.959.7000110.1A157 V159 F166 F179 Q180 L191 Y214 I217A157-L164 HydrophobicContact CB-CD2 3.56Å; V159-L164 HydrophobicContact CB-CB 4.43Å; V159-L164 HydrophobicContact CG1-CB 3.85Å; V159-L164 HydrophobicContact CG2-CB 3.79Å; V159-L164 HydrophobicContact CG2-CD2 3.81Å; V159-L164 HydrophobicContact CG2-CG 4.44Å; L164-F166 HydrophobicContact CD2-CD1 4.14Å; L164-F166 HydrophobicContact CG-CD1 4.21Å; L164-F179 CarbonylContact O-C 3.58Å; L164-F179 WeakPolarHBondContact O-CA 3.23Å; L164-F179 WeakPolarHBondContact O-CD2 3.48Å; L164-Q180 PolarHBondContact N-O 2.52Å; L164-Q180 PolarHBondContact O-N 2.74Å; L164-L191 HydrophobicContact CB-CD2 4.31Å; L164-L191 HydrophobicContact CD2-CB 4.49Å; L164-L191 HydrophobicContact CD2-CD2 4.05Å; L164-L191 HydrophobicContact CG-CD2 4Å; L164-Y214 WeakPolarHBondContact CA-O 3.29Å; L164-Y214 WeakPolarHBondContact CD1-O 3.27Å; L164-I217 HydrophobicContact CD1-CB 3.79Å; L164-I217 HydrophobicContact CD2-CB 3.85Å; L164-I217 HydrophobicContact CD2-CG1 4.08Å; L164-I217 HydrophobicContact CG-CB 4.47Å
165Q97.3Very high97.3Very high18 Ų1841.3 Ų41.38%0.08422%0.216CC..EExtended strand (participates in β ladder)trans-125.8134.2165.5-167.5-78.2-3500107.7D167 F178 F179 V211 Y214Q165-D167 PolarHBondContact NE2-OD1 2.88Å; Q165-F178 VanDerWaalsContact CA-O 3.28Å; Q165-F178 WeakPolarHBondContact CA-O 3.47Å; Q165-F179 HydrophobicContact CB-CD2 4.04Å; Q165-F179 HydrophobicContact CG-CD2 4.4Å; Q165-V211 HydrophobicContact CG-CG2 4.22Å; Q165-Y214 HydrophobicContact CB-CD2 3.8Å; Q165-Y214 HydrophobicContact CB-CG 4.16Å; Q165-Y214 HydrophobicContact CG-CD2 4.5Å; Q165-Y214 PolarHBondContact N-O 2.88Å
166F97.5Very high97.3Very high2 Ų242.7 Ų42.71%0.00923%0.227CC..EExtended strand (participates in β ladder)trans-143.6152.9169.969.4-98.9000111.1V155 L164 F178 L191 V207 Q208V155-F166 HydrophobicContact CB-CE1 4.4Å; V155-F166 HydrophobicContact CB-CE2 3.79Å; V155-F166 HydrophobicContact CB-CZ 3.62Å; V155-F166 HydrophobicContact CG1-CE1 3.96Å; V155-F166 HydrophobicContact CG1-CE2 4.06Å; V155-F166 HydrophobicContact CG1-CZ 3.69Å; V155-F166 HydrophobicContact CG2-CE2 3.88Å; V155-F166 HydrophobicContact CG2-CZ 4.25Å; L164-F166 HydrophobicContact CD2-CD1 4.14Å; L164-F166 HydrophobicContact CG-CD1 4.21Å; F166-F178 AromaticContact CD2-CD2 3.9Å; F166-F178 HydrophobicContact CD2-CD2 3.9Å; F166-F178 HydrophobicContact CE1-CB 4.08Å; F166-F178 HydrophobicContact CE2-CB 4.08Å; F166-F178 AromaticContact CE2-CD2 3.27Å; F166-F178 HydrophobicContact CE2-CD2 3.27Å; F166-F178 AromaticContact CE2-CE2 3.99Å; F166-F178 HydrophobicContact CE2-CE2 3.99Å; F166-F178 AromaticContact CE2-CG 3.95Å; F166-F178 HydrophobicContact CE2-CG 3.95Å; F166-F178 HydrophobicContact CZ-CB 3.82Å; F166-F178 AromaticContact CZ-CD2 3.75Å; F166-F178 HydrophobicContact CZ-CD2 3.75Å; F166-F178 AromaticContact CZ-CG 3.95Å; F166-F178 HydrophobicContact CZ-CG 3.95Å; F166-F178 PolarHBondContact N-O 2.75Å; F166-F178 PolarHBondContact O-N 3Å; F166-L191 HydrophobicContact CD1-CD2 3.74Å; F166-L191 HydrophobicContact CD1-CG 4.49Å; F166-L191 HydrophobicContact CE1-CD2 3.45Å; F166-L191 VanDerWaalsContact CE1-CD2 3.45Å; F166-L191 HydrophobicContact CE1-CG 3.72Å; F166-L191 HydrophobicContact CZ-CD2 4.49Å; F166-L191 HydrophobicContact CZ-CG 4.49Å; F166-V207 HydrophobicContact CB-CG1 3.87Å; F166-V207 HydrophobicContact CD2-CG1 3.82Å; F166-V207 HydrophobicContact CG-CG1 3.99Å; F166-Q208 CarbonylContact C-O 3.59Å; F166-Q208 WeakPolarHBondContact CA-O 3.42Å; F166-Q208 WeakPolarHBondContact CB-O 3.18Å
167D97.6Very high97.2Very high17 Ų1741.7 Ų41.79%0.09123%0.231CC..EExtended strand (participates in β ladder)trans-106.8138.3170.8-61.3-27.3000109.2Q165 V169 A176 S177 V207 Q208Q165-D167 PolarHBondContact NE2-OD1 2.88Å; D167-V169 HydrophobicContact CB-CG2 3.73Å; D167-A176 WeakPolarHBondContact CA-O 3.42Å; D167-S177 WeakPolarHBondContact OD1-CA 3.39Å; D167-S177 WeakPolarHBondContact OD1-CB 3.28Å; D167-S177 PolarHBondContact OD1-OG 2.95Å; D167-V207 WeakPolarHBondContact O-CA 3.36Å; D167-Q208 HydrophobicContact CB-CG 4.28Å; D167-Q208 PolarHBondContact N-O 2.93Å; D167-Q208 PolarHBondContact O-N 2.99Å; D167-Q208 VanDerWaalsContact O-N 3.08Å
168L98.3Very high97.2Very high0 Ų043.6 Ų43.60%024%0.238CC..EExtended strand (participates in β ladder)trans-82.4123.4154.9-82.7172.4000107.3F153 V155 I175 A176 F178 A195 V207 F227F153-L168 HydrophobicContact CB-CD1 4.2Å; F153-L168 HydrophobicContact CB-CD2 4.19Å; V155-L168 HydrophobicContact CG2-CD2 4.05Å; L168-I175 HydrophobicContact CB-CB 4.44Å; L168-I175 HydrophobicContact CB-CD1 4.42Å; L168-I175 WeakPolarHBondContact O-CB 3.39Å; L168-I175 PolarHBondContact O-N 3.44Å; L168-A176 PolarHBondContact N-O 3.34Å; L168-F178 HydrophobicContact CD1-CE2 4.02Å; L168-F178 HydrophobicContact CG-CE2 4.28Å; L168-A195 HydrophobicContact CD1-CB 4.38Å; L168-V207 HydrophobicContact CD2-CG2 4Å; L168-F227 HydrophobicContact CD2-CE2 3.75Å; L168-F227 HydrophobicContact CD2-CZ 4.3Å
169V98.2Very high97.2Very high0 Ų047.4 Ų47.40%025%0.253CS..EExtended strand (participates in β ladder)trans-119.8135.2-168.9-179.60000109.9D167 G172 E173 V205 W206 Q208D167-V169 HydrophobicContact CB-CG2 3.73Å; V169-G172 VanDerWaalsContact CG1-C 3.48Å; V169-G172 VanDerWaalsContact CG1-CA 3.47Å; V169-E173 CarbonylContact C-O 3.58Å; V169-E173 WeakPolarHBondContact CA-O 3.46Å; V169-E173 WeakPolarHBondContact CG1-O 3.3Å; V169-V205 WeakPolarHBondContact O-CA 3.31Å; V169-V205 WeakPolarHBondContact O-CG1 3.49Å; V169-W206 HydrophobicContact CB-CD2 4.18Å; V169-W206 HydrophobicContact CB-CG 4.45Å; V169-W206 HydrophobicContact CB-CZ2 4.23Å; V169-W206 HydrophobicContact CG1-CD2 4.24Å; V169-W206 HydrophobicContact CG1-CH2 3.96Å; V169-W206 HydrophobicContact CG1-CZ2 3.45Å; V169-W206 VanDerWaalsContact CG1-CZ2 3.45Å; V169-W206 HydrophobicContact CG1-CZ3 4.49Å; V169-W206 PolarHBondContact N-O 2.73Å; V169-W206 PolarHBondContact O-N 3.28Å; V169-W206 VanDerWaalsContact O-N 3.08Å; V169-Q208 VanDerWaalsContact CG2-CD 3.48Å; V169-Q208 HydrophobicContact CG2-CG 3.63Å
170K98.5Very high97.2Very high53 Ų5350.2 Ų50.223%0.2327%0.267CS..EExtended strand (participates in β ladder)trans-112.5120.6167.6178-176.4177.6174.70108.3G172 E173 I175 V197 R198 L199 D203 Q204K170-G172 PolarHBondContact O-N 2.87Å; K170-E173 PolarHBondContact N-O 3.32Å; K170-E173 PolarHBondContact O-N 2.87Å; K170-I175 HydrophobicContact CB-CD1 3.84Å; K170-I175 HydrophobicContact CB-CG1 3.76Å; K170-V197 HydrophobicContact CD-CG2 3.9Å; K170-R198 PolarHBondContact NZ-O 2.88Å; K170-L199 HydrophobicContact CD-CD2 3.81Å; K170-L199 HydrophobicContact CG-CD2 4.15Å; K170-D203 WeakPolarHBondContact CE-OD2 3.25Å; K170-D203 IonicContact NZ-OD2 2.76Å; K170-D203 PolarHBondContact NZ-OD2 2.85Å; K170-Q204 WeakPolarHBondContact CA-O 3.28Å
171N97.8Very high97.3Very high83 Ų8353 Ų5344%0.44428%0.28SS..THydrogen-bonded Turntrans50.230.8175-59.8-20.6000115.1D203 Q204N171-D203 PolarHBondContact ND2-OD1 2.84Å; N171-Q204 PolarHBondContact N-O 3.27Å; N171-Q204 PolarHBondContact OD1-N 3.21Å; N171-Q204 PolarHBondContact OD1-O 2.99Å
172G95.8Very high97.4Very high47 Ų4746.6 Ų46.649%0.48526%0.257SS..THydrogen-bonded Turntrans94.6-8.7-179.400000114.9V169 K170V169-G172 VanDerWaalsContact CG1-C 3.48Å; V169-G172 VanDerWaalsContact CG1-CA 3.47Å; K170-G172 PolarHBondContact O-N 2.87Å
173E96.9Very high97.5Very high156 Ų15646.9 Ų46.973%0.72926%0.263SS*.EExtended strand (participates in β ladder)trans-101.1135.6176.2-62.5-171.7151.700111.5V169 K170 I175V169-E173 CarbonylContact C-O 3.58Å; V169-E173 WeakPolarHBondContact CA-O 3.46Å; V169-E173 WeakPolarHBondContact CG1-O 3.3Å; K170-E173 PolarHBondContact N-O 3.32Å; K170-E173 PolarHBondContact O-N 2.87Å; E173-I175 PolarHBondContact O-N 2.85Å
174S97.1Very high97.4Very high59 Ų5949.1 Ų49.141%0.41329%0.288SS..EExtended strand (participates in β ladder)trans-69121.6177.5-176.60000110.6S177S174-S177 PolarHBondContact OG-OG 2.81Å
175I97.9Very high97.3Very high54 Ų5454.8 Ų54.828%0.27731%0.31SS..EExtended strand (participates in β ladder)trans-74.6-48.6170.1-52.8169.5000109.1L168 K170 E173 A195 V197 V205L168-I175 HydrophobicContact CB-CB 4.44Å; L168-I175 HydrophobicContact CB-CD1 4.42Å; L168-I175 WeakPolarHBondContact O-CB 3.39Å; L168-I175 PolarHBondContact O-N 3.44Å; K170-I175 HydrophobicContact CB-CD1 3.84Å; K170-I175 HydrophobicContact CB-CG1 3.76Å; E173-I175 PolarHBondContact O-N 2.85Å; I175-A195 HydrophobicContact CG2-CB 3.93Å; I175-V197 HydrophobicContact CD1-CB 4.18Å; I175-V197 HydrophobicContact CD1-CG1 4.07Å; I175-V197 HydrophobicContact CD1-CG2 4.18Å; I175-V197 HydrophobicContact CG2-CB 4.49Å; I175-V205 HydrophobicContact CD1-CG1 4.37Å
176A98Very high97.2Very high28 Ų2859.4 Ų59.423%0.23134%0.341CS..EExtended strand (participates in β ladder)trans-159.2143.3-179.200000110.2D167 L168 F178 A195D167-A176 WeakPolarHBondContact CA-O 3.42Å; L168-A176 PolarHBondContact N-O 3.34Å; A176-F178 HydrophobicContact CB-CE2 3.77Å; A176-F178 HydrophobicContact CB-CZ 3.63Å; A176-A195 HydrophobicContact CB-CB 4.34Å
177S97.7Very high97.1Very high74 Ų7466.9 Ų66.952%0.51737%0.374SS..EExtended strand (participates in β ladder)trans-113138.6-178.7-61.20000110.8D167 S174D167-S177 WeakPolarHBondContact OD1-CA 3.39Å; D167-S177 WeakPolarHBondContact OD1-CB 3.28Å; D167-S177 PolarHBondContact OD1-OG 2.95Å; S174-S177 PolarHBondContact OG-OG 2.81Å
178F98.3Very high97.1Very high43 Ų4368.6 Ų68.619%0.18939%0.386CS..EExtended strand (participates in β ladder)trans-129.7146.6-176.7-53.6-85.4000110.5Q165 F166 L168 A176 L191 G193 G194Q165-F178 VanDerWaalsContact CA-O 3.28Å; Q165-F178 WeakPolarHBondContact CA-O 3.47Å; F166-F178 AromaticContact CD2-CD2 3.9Å; F166-F178 HydrophobicContact CD2-CD2 3.9Å; F166-F178 HydrophobicContact CE1-CB 4.08Å; F166-F178 HydrophobicContact CE2-CB 4.08Å; F166-F178 AromaticContact CE2-CD2 3.27Å; F166-F178 HydrophobicContact CE2-CD2 3.27Å; F166-F178 AromaticContact CE2-CE2 3.99Å; F166-F178 HydrophobicContact CE2-CE2 3.99Å; F166-F178 AromaticContact CE2-CG 3.95Å; F166-F178 HydrophobicContact CE2-CG 3.95Å; F166-F178 HydrophobicContact CZ-CB 3.82Å; F166-F178 AromaticContact CZ-CD2 3.75Å; F166-F178 HydrophobicContact CZ-CD2 3.75Å; F166-F178 AromaticContact CZ-CG 3.95Å; F166-F178 HydrophobicContact CZ-CG 3.95Å; F166-F178 PolarHBondContact N-O 2.75Å; F166-F178 PolarHBondContact O-N 3Å; L168-F178 HydrophobicContact CD1-CE2 4.02Å; L168-F178 HydrophobicContact CG-CE2 4.28Å; A176-F178 HydrophobicContact CB-CE2 3.77Å; A176-F178 HydrophobicContact CB-CZ 3.63Å; F178-L191 HydrophobicContact CB-CD1 4.22Å; F178-L191 HydrophobicContact CB-CD2 4.26Å; F178-L191 HydrophobicContact CB-CG 4.48Å; F178-G193 VanDerWaalsContact CD1-CA 3.41Å; F178-G194 VanDerWaalsContact CZ-N 3.29Å
179F98Very high97.1Very high98 Ų9869.8 Ų69.843%0.4340%0.395SS..EExtended strand (participates in β ladder)trans-142.4140.9-178.1175.7-100.2000111.9L164 Q165 F181 Y214L164-F179 CarbonylContact O-C 3.58Å; L164-F179 WeakPolarHBondContact O-CA 3.23Å; L164-F179 WeakPolarHBondContact O-CD2 3.48Å; Q165-F179 HydrophobicContact CB-CD2 4.04Å; Q165-F179 HydrophobicContact CG-CD2 4.4Å; F179-F181 HydrophobicContact CE1-CB 3.94Å; F179-F181 HydrophobicContact CZ-CB 4.21Å; F179-Y214 HydrophobicContact CD2-CD2 4.1Å; F179-Y214 HydrophobicContact CD2-CE2 4.39Å; F179-Y214 HydrophobicContact CE2-CD1 4.34Å; F179-Y214 AromaticContact CE2-CD2 3.76Å; F179-Y214 HydrophobicContact CE2-CD2 3.76Å; F179-Y214 HydrophobicContact CE2-CE1 4.41Å; F179-Y214 AromaticContact CE2-CE2 3.82Å; F179-Y214 HydrophobicContact CE2-CE2 3.82Å; F179-Y214 HydrophobicContact CE2-CG 4.03Å
180Q97.9Very high97.1Very high60 Ų6073.7 Ų73.728%0.2842%0.423SS..EExtended strand (participates in β ladder)trans-134.3124.2168.7174.562.156.900109.9V159 S163 L164 A189 S190 L191V159-Q180 HydrophobicContact CB-CG 4.34Å; V159-Q180 HydrophobicContact CG1-CG 4.33Å; V159-Q180 HydrophobicContact CG2-CB 4.11Å; V159-Q180 HydrophobicContact CG2-CG 4.04Å; S163-Q180 WeakPolarHBondContact CA-O 3.24Å; S163-Q180 WeakPolarHBondContact CB-O 3.15Å; L164-Q180 PolarHBondContact N-O 2.52Å; L164-Q180 PolarHBondContact O-N 2.74Å; Q180-A189 HydrophobicContact CG-CB 4.49Å; Q180-S190 WeakPolarHBondContact CG-O 3.29Å; Q180-S190 PolarHBondContact OE1-O 2.82Å; Q180-L191 HydrophobicContact CB-CB 3.71Å; Q180-L191 HydrophobicContact CB-CD1 3.97Å; Q180-L191 HydrophobicContact CB-CD2 3.97Å; Q180-L191 HydrophobicContact CB-CG 4.07Å; Q180-L191 HydrophobicContact CG-CB 4.44Å
181F97.5Very high97.1Very high118 Ų11871.8 Ų71.852%0.51842%0.415SS..  trans-71.5134.6172.1177.1-110.9000111.2F179 W185F179-F181 HydrophobicContact CE1-CB 3.94Å; F179-F181 HydrophobicContact CZ-CB 4.21Å; F181-W185 HydrophobicContact CD1-CH2 4.29Å; F181-W185 WeakPolarHBondContact O-CH2 3.32Å; F181-W185 VanDerWaalsContact O-CZ3 3.3Å; F181-W185 WeakPolarHBondContact O-CZ3 3.47Å
182F96.6Very high97.1Very high21 Ų2171 Ų719%0.09242%0.416CS..  trans-111.3107.5170.7-177.2-105.2000110.5V159 Y160 R161 A162 S163 G184 W185V159-F182 HydrophobicContact CG1-CB 4.18Å; Y160-F182 AromaticContact CD2-CE2 3.74Å; Y160-F182 HydrophobicContact CD2-CE2 3.74Å; Y160-F182 AromaticContact CD2-CZ 3.6Å; Y160-F182 HydrophobicContact CD2-CZ 3.6Å; Y160-F182 HydrophobicContact CE2-CE2 4.35Å; Y160-F182 AromaticContact CE2-CZ 3.91Å; Y160-F182 HydrophobicContact CE2-CZ 3.91Å; R161-F182 VanDerWaalsContact N-CE1 3.31Å; A162-F182 VanDerWaalsContact C-CB 3.45Å; A162-F182 WeakPolarHBondContact O-CB 3.25Å; S163-F182 PolarHBondContact OG-N 3Å; F182-G184 PolarHBondContact O-N 3.03Å; F182-G184 VanDerWaalsContact O-N 3.09Å; F182-W185 AromaticContact CD2-CE3 3.8Å; F182-W185 HydrophobicContact CD2-CE3 3.8Å; F182-W185 HydrophobicContact CD2-CZ3 4.25Å; F182-W185 HydrophobicContact CE2-CB 4.35Å; F182-W185 HydrophobicContact CE2-CE3 4.11Å; F182-W185 VanDerWaalsContact CZ-O 3.27Å; F182-W185 WeakPolarHBondContact CZ-O 3.22Å
183G96Very high97.3Very high37 Ų3769.1 Ų69.138%0.38140%0.397SS..  trans-80.523.5-174.500000115.9W185G183-W185 VanDerWaalsContact C-N 3.3Å; G183-W185 PolarHBondContact O-N 2.91Å
184G95.2Very high97.3Very high63 Ų6363.1 Ų63.165%0.64938%0.377SS*.  trans70.525-175.500000113.8F182F182-G184 PolarHBondContact O-N 3.03Å; F182-G184 VanDerWaalsContact O-N 3.09Å
185W95.4Very high97.4Very high119 Ų11961.2 Ų61.245%0.45137%0.365SS..  trans-64.4151.9-179.3-58.2-57.2000112.2F181 F182 G183 K187 A189F181-W185 HydrophobicContact CD1-CH2 4.29Å; F181-W185 WeakPolarHBondContact O-CH2 3.32Å; F181-W185 VanDerWaalsContact O-CZ3 3.3Å; F181-W185 WeakPolarHBondContact O-CZ3 3.47Å; F182-W185 AromaticContact CD2-CE3 3.8Å; F182-W185 HydrophobicContact CD2-CE3 3.8Å; F182-W185 HydrophobicContact CD2-CZ3 4.25Å; F182-W185 HydrophobicContact CE2-CB 4.35Å; F182-W185 HydrophobicContact CE2-CE3 4.11Å; F182-W185 VanDerWaalsContact CZ-O 3.27Å; F182-W185 WeakPolarHBondContact CZ-O 3.22Å; G183-W185 VanDerWaalsContact C-N 3.3Å; G183-W185 PolarHBondContact O-N 2.91Å; W185-K187 PolarHBondContact O-N 2.88Å; W185-K187 VanDerWaalsContact O-N 3.13Å; W185-A189 HydrophobicContact CE3-CB 4.14Å; W185-A189 HydrophobicContact CZ3-CB 3.86Å
186P96.2Very high97.4Very high116 Ų11664 Ų6475%0.75338%0.378SS*.SBendtrans-69.9-9-179.629-36.8000113.9
187K95.3Very high97.5Very high159 Ų15963.7 Ų63.769%0.69137%0.373SS*.SBendtrans-135158.1-178.4-65.7-174.2-178.5-178.40110.8W185W185-K187 PolarHBondContact O-N 2.88Å; W185-K187 VanDerWaalsContact O-N 3.13Å
188P97.1Very high97.5Very high52 Ų5266.1 Ų66.134%0.33837%0.371SS..  trans-62.6150.1178.8-22.233.8000114T158 V159 Y160T158-P188 HydrophobicContact CG2-CB 3.42Å; T158-P188 VanDerWaalsContact CG2-CB 3.42Å; T158-P188 HydrophobicContact CG2-CG 4.12Å; V159-P188 CarbonylContact O-C 3.08Å; V159-P188 VanDerWaalsContact O-CA 3.26Å; V159-P188 WeakPolarHBondContact O-CA 3.22Å; Y160-P188 HydrophobicContact CD1-CG 4.4Å; Y160-P188 HydrophobicContact CD2-CB 4.18Å; Y160-P188 HydrophobicContact CD2-CG 3.87Å; Y160-P188 HydrophobicContact CE2-CG 4.41Å; Y160-P188 HydrophobicContact CG-CB 4.27Å; Y160-P188 HydrophobicContact CG-CG 3.89Å
189A97.9Very high97.5Very high25 Ų2564 Ų6421%0.20736%0.362CS..EExtended strand (participates in β ladder)trans-99.5-172.3164.400000110.3V159 Q180 W185V159-A189 HydrophobicContact CB-CB 4.31Å; V159-A189 PolarHBondContact N-O 3.03Å; V159-A189 PolarHBondContact O-N 2.83Å; Q180-A189 HydrophobicContact CG-CB 4.49Å; W185-A189 HydrophobicContact CE3-CB 4.14Å; W185-A189 HydrophobicContact CZ3-CB 3.86Å
190S98.3Very high97.4Very high82 Ų8263 Ų6357%0.57336%0.358SS*.EExtended strand (participates in β ladder)trans-132.9152.8177.558.60000111.8A157 Q180A157-S190 CarbonylContact O-C 3.56Å; A157-S190 WeakPolarHBondContact O-CA 3.42Å; Q180-S190 WeakPolarHBondContact CG-O 3.29Å; Q180-S190 PolarHBondContact OE1-O 2.82Å
191L98.4Very high97.3Very high13 Ų1363 Ų637%0.06836%0.364CS..EExtended strand (participates in β ladder)trans-137.5134.9170.2177.555.5000108.1A157 V159 L164 F166 F178 Q180A157-L191 HydrophobicContact CB-CB 4.48Å; A157-L191 PolarHBondContact N-O 2.84Å; A157-L191 PolarHBondContact O-N 2.88Å; V159-L191 HydrophobicContact CG2-CB 3.74Å; L164-L191 HydrophobicContact CB-CD2 4.31Å; L164-L191 HydrophobicContact CD2-CB 4.49Å; L164-L191 HydrophobicContact CD2-CD2 4.05Å; L164-L191 HydrophobicContact CG-CD2 4Å; F166-L191 HydrophobicContact CD1-CD2 3.74Å; F166-L191 HydrophobicContact CD1-CG 4.49Å; F166-L191 HydrophobicContact CE1-CD2 3.45Å; F166-L191 VanDerWaalsContact CE1-CD2 3.45Å; F166-L191 HydrophobicContact CE1-CG 3.72Å; F166-L191 HydrophobicContact CZ-CD2 4.49Å; F166-L191 HydrophobicContact CZ-CG 4.49Å; F178-L191 HydrophobicContact CB-CD1 4.22Å; F178-L191 HydrophobicContact CB-CD2 4.26Å; F178-L191 HydrophobicContact CB-CG 4.48Å; Q180-L191 HydrophobicContact CB-CB 3.71Å; Q180-L191 HydrophobicContact CB-CD1 3.97Å; Q180-L191 HydrophobicContact CB-CD2 3.97Å; Q180-L191 HydrophobicContact CB-CG 4.07Å; Q180-L191 HydrophobicContact CG-CB 4.44Å
192S98.6Very high97.3Very high67 Ų6763.5 Ų63.547%0.46937%0.368SS..EExtended strand (participates in β ladder)trans-128.4144.4170.7-63.10000109.8V155 H156V155-S192 VanDerWaalsContact O-CA 3.23Å; V155-S192 WeakPolarHBondContact O-CA 3.41Å; H156-S192 PolarHBondContact ND1-OG 2.8Å
193G98.4Very high97.4Very high8 Ų863.6 Ų63.68%0.08237%0.369CS..EExtended strand (participates in β ladder)trans-149.9146.4178.400000109.8A154 V155 F178A154-G193 CarbonylContact C-O 3.54Å; A154-G193 WeakPolarHBondContact CA-O 3.41Å; V155-G193 PolarHBondContact N-O 2.81Å; V155-G193 PolarHBondContact O-N 3.12Å; F178-G193 VanDerWaalsContact CD1-CA 3.41Å
194G98.4Very high97.5Very high29 Ų2964.7 Ų64.730%0.29936%0.364SS..EExtended strand (participates in β ladder)trans-162.5154178.500000111.2F153 F178F153-G194 CarbonylContact O-C 3.52Å; F153-G194 WeakPolarHBondContact O-CA 3.09Å; F178-G194 VanDerWaalsContact CZ-N 3.29Å
195A98.6Very high97.7Very high20 Ų2061.7 Ų61.717%0.16533%0.333CS..EExtended strand (participates in β ladder)trans-152.2154.9179.400000109.9F153 L168 I175 A176F153-A195 PolarHBondContact N-O 3.14Å; F153-A195 PolarHBondContact O-N 2.81Å; L168-A195 HydrophobicContact CD1-CB 4.38Å; I175-A195 HydrophobicContact CG2-CB 3.93Å; A176-A195 HydrophobicContact CB-CB 4.34Å
196M98.6Very high97.9Very high113 Ų11356.9 Ų56.956%0.55732%0.315SS*.EExtended strand (participates in β ladder)trans-95.5143.2166.4-62.817876.500109.2V150 Y151 Y152 V232V150-M196 HydrophobicContact CG1-CB 4.32Å; V150-M196 HydrophobicContact CG1-CE 3.72Å; Y151-M196 CarbonylContact O-C 3.55Å; Y151-M196 WeakPolarHBondContact O-CA 3.4Å; Y152-M196 HydrophobicContact CD2-CG 3.77Å; M196-V232 HydrophobicContact CE-CG1 4.36Å; M196-V232 HydrophobicContact CE-CG2 4.17Å
197V98.6Very high98Very high21 Ų2151.4 Ų51.413%0.12728%0.279CS..EExtended strand (participates in β ladder)trans-147.7141.8178.964.40000110.4Y151 F153 K170 I175 L199Y151-V197 PolarHBondContact N-O 3.35Å; Y151-V197 PolarHBondContact O-N 2.68Å; F153-V197 HydrophobicContact CD2-CG1 3.8Å; F153-V197 HydrophobicContact CE2-CG1 3.61Å; K170-V197 HydrophobicContact CD-CG2 3.9Å; I175-V197 HydrophobicContact CD1-CB 4.18Å; I175-V197 HydrophobicContact CD1-CG1 4.07Å; I175-V197 HydrophobicContact CD1-CG2 4.18Å; I175-V197 HydrophobicContact CG2-CB 4.49Å; V197-L199 HydrophobicContact CG1-CD2 3.84Å; V197-L199 HydrophobicContact CG1-CG 4.1Å; V197-L199 HydrophobicContact CG2-CD2 4.12Å
198R98Very high98Very high124 Ų12445.5 Ų45.547%0.46825%0.254SS..EExtended strand (participates in β ladder)trans-82.2128.6170.9-170.6173.3-176.6-82.6-15.5109.6G149 V150 K170 E200 D235G149-R198 WeakPolarHBondContact O-CA 3.29Å; V150-R198 HydrophobicContact CG2-CB 4.18Å; V150-R198 HydrophobicContact CG2-CG 4.3Å; K170-R198 PolarHBondContact NZ-O 2.88Å; R198-E200 IonicContact CZ-OE1 3.13Å; R198-E200 IonicContact NH1-OE1 2.68Å; R198-E200 PolarHBondContact NH1-OE1 3.24Å; R198-E200 IonicContact NH2-OE1 3.56Å; R198-E200 PolarHBondContact NH2-OE1 2.74Å; R198-D235 IonicContact CZ-OD2 3.13Å; R198-D235 IonicContact NE-OD2 2.73Å; R198-D235 PolarHBondContact NE-OD2 3.45Å; R198-D235 IonicContact NH2-OD2 2.82Å; R198-D235 PolarHBondContact NH2-OD2 3.48Å
199L98.1Very high97.9Very high0 Ų043.1 Ų43.10%024%0.239CC..EExtended strand (participates in β ladder)trans-121.9142.4179.1-56.9-177.7000110.4F143 C145 P148 G149 Y151 F153 K170 V197 D203 V205F143-L199 HydrophobicContact CD1-CD1 4.21Å; F143-L199 HydrophobicContact CE1-CD1 3.75Å; C145-L199 HydrophobicContact CB-CB 3.98Å; C145-L199 HydrophobicContact CB-CD1 4.12Å; C145-L199 VanDerWaalsContact SG-CB 3.59Å; P148-L199 WeakPolarHBondContact CA-O 3.3Å; G149-L199 PolarHBondContact N-O 2.85Å; G149-L199 PolarHBondContact O-N 3.48Å; Y151-L199 HydrophobicContact CD1-CD1 4.41Å; Y151-L199 HydrophobicContact CD2-CB 3.86Å; Y151-L199 HydrophobicContact CD2-CD1 3.63Å; Y151-L199 HydrophobicContact CD2-CG 3.79Å; Y151-L199 HydrophobicContact CE2-CB 3.96Å; Y151-L199 HydrophobicContact CE2-CD1 4.07Å; Y151-L199 HydrophobicContact CE2-CG 4.33Å; Y151-L199 HydrophobicContact CG-CD1 3.82Å; Y151-L199 HydrophobicContact CG-CG 4.34Å; F153-L199 HydrophobicContact CE2-CD1 3.91Å; F153-L199 HydrophobicContact CZ-CD1 3.86Å; K170-L199 HydrophobicContact CD-CD2 3.81Å; K170-L199 HydrophobicContact CG-CD2 4.15Å; V197-L199 HydrophobicContact CG1-CD2 3.84Å; V197-L199 HydrophobicContact CG1-CG 4.1Å; V197-L199 HydrophobicContact CG2-CD2 4.12Å; L199-D203 WeakPolarHBondContact CA-OD2 3.26Å; L199-D203 HydrophobicContact CB-CB 4.19Å; L199-D203 HydrophobicContact CD2-CB 4Å; L199-V205 HydrophobicContact CD1-CG2 3.8Å; L199-V205 HydrophobicContact CD2-CG2 3.69Å; L199-V205 HydrophobicContact CG-CG2 4.41Å
200E97Very high97.3Very high75 Ų7543.3 Ų43.335%0.3524%0.243SC..  trans-101.6162.4165.1-64.9-65.6168.700109.3C145 R198 D203C145-E200 VanDerWaalsContact CB-O 3.22Å; C145-E200 WeakPolarHBondContact CB-O 3.34Å; C145-E200 PolarHBondContact SG-O 2.83Å; R198-E200 IonicContact CZ-OE1 3.13Å; R198-E200 IonicContact NH1-OE1 2.68Å; R198-E200 PolarHBondContact NH1-OE1 3.24Å; R198-E200 IonicContact NH2-OE1 3.56Å; R198-E200 PolarHBondContact NH2-OE1 2.74Å; E200-D203 PolarHBondContact N-OD2 3.31Å; E200-D203 VanDerWaalsContact O-CB 3.25Å; E200-D203 WeakPolarHBondContact O-CB 3.14Å; E200-D203 PolarHBondContact O-N 2.79Å; E200-D203 VanDerWaalsContact O-N 3.11Å
201P96Very high96.8Very high61 Ų6142.3 Ų42.340%0.39623%0.233SC..THydrogen-bonded Turntrans-52.4143.4173.5-26.336.1000111.5C145 D203C145-P201 WeakPolarHBondContact O-CA 3.49Å; P201-D203 PolarHBondContact O-N 2.86Å
202E97.2Very high96.1Very high129 Ų12943.7 Ų43.760%0.60325%0.251SS*.THydrogen-bonded Turntrans72.4-9.4-174-51.8-60115.600116.1C145 Q146 Q204C145-E202 PolarHBondContact O-N 3.49Å; Q146-E202 PolarHBondContact NE2-OE1 2.88Å; E202-Q204 PolarHBondContact O-N 3.41Å
203D98.5Very high95.6Very high23 Ų2347 Ų4712%0.12326%0.263CS..  trans-59.9133.3168.8-77.9-23.6000110.1C145 K170 N171 L199 E200 P201C145-D203 HydrophobicContact CB-CB 4.25Å; C145-D203 VanDerWaalsContact CB-O 3.32Å; C145-D203 WeakPolarHBondContact CB-O 3.41Å; C145-D203 PolarHBondContact N-O 3.01Å; K170-D203 WeakPolarHBondContact CE-OD2 3.25Å; K170-D203 IonicContact NZ-OD2 2.76Å; K170-D203 PolarHBondContact NZ-OD2 2.85Å; N171-D203 PolarHBondContact ND2-OD1 2.84Å; L199-D203 WeakPolarHBondContact CA-OD2 3.26Å; L199-D203 HydrophobicContact CB-CB 4.19Å; L199-D203 HydrophobicContact CD2-CB 4Å; E200-D203 PolarHBondContact N-OD2 3.31Å; E200-D203 VanDerWaalsContact O-CB 3.25Å; E200-D203 WeakPolarHBondContact O-CB 3.14Å; E200-D203 PolarHBondContact O-N 2.79Å; E200-D203 VanDerWaalsContact O-N 3.11Å; P201-D203 PolarHBondContact O-N 2.86Å
204Q98.7Very high95.4Very high59 Ų5951 Ų5128%0.27628%0.276SS..EExtended strand (participates in β ladder)trans-108.7136.2179.2-65.8-166.8-36.500111.6F143 T144 K170 N171 E202 W206F143-Q204 CarbonylContact O-C 3.48Å; F143-Q204 VanDerWaalsContact O-CA 3.22Å; F143-Q204 WeakPolarHBondContact O-CA 3.37Å; T144-Q204 HydrophobicContact CG2-CG 4.22Å; T144-Q204 PolarHBondContact OG1-NE2 3.18Å; K170-Q204 WeakPolarHBondContact CA-O 3.28Å; N171-Q204 PolarHBondContact N-O 3.27Å; N171-Q204 PolarHBondContact OD1-N 3.21Å; N171-Q204 PolarHBondContact OD1-O 2.99Å; E202-Q204 PolarHBondContact O-N 3.41Å; Q204-W206 HydrophobicContact CB-CE3 4.11Å; Q204-W206 HydrophobicContact CB-CZ3 3.82Å
205V98.8Very high95.2Very high0 Ų051.7 Ų51.70%027%0.273CS..EExtended strand (participates in β ladder)trans-124.8134.1175.3-178.90000111F143 F153 V169 I175 L199 F227F143-V205 HydrophobicContact CD1-CB 4.4Å; F143-V205 PolarHBondContact N-O 3.31Å; F143-V205 PolarHBondContact O-N 3.19Å; F153-V205 HydrophobicContact CD1-CG1 3.89Å; F153-V205 HydrophobicContact CD2-CG1 4.09Å; F153-V205 HydrophobicContact CE1-CB 3.89Å; F153-V205 HydrophobicContact CE1-CG1 3.71Å; F153-V205 HydrophobicContact CE1-CG2 4.48Å; F153-V205 HydrophobicContact CE2-CB 4.18Å; F153-V205 HydrophobicContact CE2-CG1 3.94Å; F153-V205 HydrophobicContact CE2-CG2 3.93Å; F153-V205 HydrophobicContact CG-CG1 4.06Å; F153-V205 HydrophobicContact CZ-CB 3.69Å; F153-V205 HydrophobicContact CZ-CG1 3.76Å; F153-V205 HydrophobicContact CZ-CG2 3.78Å; V169-V205 WeakPolarHBondContact O-CA 3.31Å; V169-V205 WeakPolarHBondContact O-CG1 3.49Å; I175-V205 HydrophobicContact CD1-CG1 4.37Å; L199-V205 HydrophobicContact CD1-CG2 3.8Å; L199-V205 HydrophobicContact CD2-CG2 3.69Å; L199-V205 HydrophobicContact CG-CG2 4.41Å; V205-F227 HydrophobicContact CG1-CZ 4.49Å
206W98.6Very high95.1Very high19 Ų1950.9 Ų50.97%0.07227%0.267CS..EExtended strand (participates in β ladder)trans-149.5173.8175.864.791.2000112.2P122 G141 K142 V169 Q204P122-W206 HydrophobicContact CB-CB 4.13Å; P122-W206 HydrophobicContact CB-CG 3.89Å; P122-W206 HydrophobicContact CG-CD2 4.22Å; P122-W206 HydrophobicContact CG-CG 3.97Å; G141-W206 WeakPolarHBondContact O-CB 3.23Å; K142-W206 HydrophobicContact CD-CE3 4.24Å; K142-W206 HydrophobicContact CG-CB 4.09Å; K142-W206 HydrophobicContact CG-CD2 4.39Å; K142-W206 HydrophobicContact CG-CE3 4.18Å; K142-W206 HydrophobicContact CG-CG 4.4Å; V169-W206 HydrophobicContact CB-CD2 4.18Å; V169-W206 HydrophobicContact CB-CG 4.45Å; V169-W206 HydrophobicContact CB-CZ2 4.23Å; V169-W206 HydrophobicContact CG1-CD2 4.24Å; V169-W206 HydrophobicContact CG1-CH2 3.96Å; V169-W206 HydrophobicContact CG1-CZ2 3.45Å; V169-W206 VanDerWaalsContact CG1-CZ2 3.45Å; V169-W206 HydrophobicContact CG1-CZ3 4.49Å; V169-W206 PolarHBondContact N-O 2.73Å; V169-W206 PolarHBondContact O-N 3.28Å; V169-W206 VanDerWaalsContact O-N 3.08Å; Q204-W206 HydrophobicContact CB-CE3 4.11Å; Q204-W206 HydrophobicContact CB-CZ3 3.82Å
207V98.1Very high94.9Very high0 Ų046.3 Ų46.30%024%0.244CC..EExtended strand (participates in β ladder)trans-103.6134.7171.2-176.90000108.2L123 F125 V155 F166 D167 L168 F227L123-V207 WeakPolarHBondContact CB-O 3.44Å; L123-V207 HydrophobicContact CD2-CG1 4.48Å; L123-V207 PolarHBondContact N-O 3.33Å; F125-V207 HydrophobicContact CE2-CB 3.95Å; F125-V207 HydrophobicContact CE2-CG1 4.42Å; F125-V207 HydrophobicContact CE2-CG2 3.95Å; F125-V207 HydrophobicContact CZ-CB 4.49Å; F125-V207 HydrophobicContact CZ-CG2 4.34Å; V155-V207 HydrophobicContact CG2-CG1 4.45Å; V155-V207 HydrophobicContact CG2-CG2 3.43Å; V155-V207 VanDerWaalsContact CG2-CG2 3.43Å; F166-V207 HydrophobicContact CB-CG1 3.87Å; F166-V207 HydrophobicContact CD2-CG1 3.82Å; F166-V207 HydrophobicContact CG-CG1 3.99Å; D167-V207 WeakPolarHBondContact O-CA 3.36Å; L168-V207 HydrophobicContact CD2-CG2 4Å; V207-F227 HydrophobicContact CG2-CB 4.46Å; V207-F227 HydrophobicContact CG2-CD1 3.94Å; V207-F227 HydrophobicContact CG2-CD2 3.73Å; V207-F227 HydrophobicContact CG2-CE1 4.03Å; V207-F227 HydrophobicContact CG2-CE2 3.83Å; V207-F227 HydrophobicContact CG2-CG 3.8Å; V207-F227 HydrophobicContact CG2-CZ 3.98Å
208Q95.7Very high94.8Very high36 Ų3647.7 Ų47.717%0.16825%0.248CC..EExtended strand (participates in β ladder)trans-138154171.474.6-1719.700111F166 D167 V169F166-Q208 CarbonylContact C-O 3.59Å; F166-Q208 WeakPolarHBondContact CA-O 3.42Å; F166-Q208 WeakPolarHBondContact CB-O 3.18Å; D167-Q208 HydrophobicContact CB-CG 4.28Å; D167-Q208 PolarHBondContact N-O 2.93Å; D167-Q208 PolarHBondContact O-N 2.99Å; D167-Q208 VanDerWaalsContact O-N 3.08Å; V169-Q208 VanDerWaalsContact CG2-CD 3.48Å; V169-Q208 HydrophobicContact CG2-CG 3.63Å
209V94.5Very high94.7Very high1 Ų142.1 Ų42.11%0.00623%0.228CC..  trans-81.9116.1168.8177.20000107.7V211 I215V209-V211 WeakPolarHBondContact CG1-O 3.29Å; V209-I215 HydrophobicContact CB-CG2 4.37Å; V209-I215 HydrophobicContact CG1-CG2 3.8Å; V209-I215 HydrophobicContact CG2-CG2 4.33Å
210G86.2Confident94.6Very high30 Ų3043.4 Ų43.431%0.30924%0.237SC..SBendtrans-88.5-12-177.200000114.3
211V88.2Confident94.4Very high60 Ų6046.7 Ų46.736%0.36426%0.255SS..SBendtrans-129.9115176.6-176.30000109.6Q165 V209 D213 Y214Q165-V211 HydrophobicContact CG-CG2 4.22Å; V209-V211 WeakPolarHBondContact CG1-O 3.29Å; V211-D213 PolarHBondContact O-N 3.41Å; V211-Y214 HydrophobicContact CB-CD2 3.74Å; V211-Y214 HydrophobicContact CB-CE2 4.37Å; V211-Y214 HydrophobicContact CB-CG 4.41Å; V211-Y214 HydrophobicContact CG1-CD2 3.63Å; V211-Y214 HydrophobicContact CG1-CE2 3.87Å; V211-Y214 HydrophobicContact CG1-CG 4.29Å; V211-Y214 HydrophobicContact CG2-CD2 4.34Å; V211-Y214 PolarHBondContact O-N 2.95Å
212G83Confident94.4Very high42 Ų4252.7 Ų52.743%0.43328%0.275SS..THydrogen-bonded Turntrans-56.1-27.1-167.800000116.6I215G212-I215 WeakPolarHBondContact O-CG2 3.31Å
213D87.5Confident94.4Very high136 Ų13648.1 Ų48.173%0.72726%0.256SS*.THydrogen-bonded Turntrans-82.2-17178.2-65.9-37.8000113.4V211 I215V211-D213 PolarHBondContact O-N 3.41Å; D213-I215 PolarHBondContact O-N 3.39Å
214Y94.5Very high94.3Very high92 Ų9250.2 Ų50.236%0.36127%0.267SS..  trans-102.353.8-171.9-57.9-29.2000112.2S163 L164 Q165 F179 V211S163-Y214 CarbonylContact O-C 3.51Å; S163-Y214 WeakPolarHBondContact O-CA 3.27Å; L164-Y214 WeakPolarHBondContact CA-O 3.29Å; L164-Y214 WeakPolarHBondContact CD1-O 3.27Å; Q165-Y214 HydrophobicContact CB-CD2 3.8Å; Q165-Y214 HydrophobicContact CB-CG 4.16Å; Q165-Y214 HydrophobicContact CG-CD2 4.5Å; Q165-Y214 PolarHBondContact N-O 2.88Å; F179-Y214 HydrophobicContact CD2-CD2 4.1Å; F179-Y214 HydrophobicContact CD2-CE2 4.39Å; F179-Y214 HydrophobicContact CE2-CD1 4.34Å; F179-Y214 AromaticContact CE2-CD2 3.76Å; F179-Y214 HydrophobicContact CE2-CD2 3.76Å; F179-Y214 HydrophobicContact CE2-CE1 4.41Å; F179-Y214 AromaticContact CE2-CE2 3.82Å; F179-Y214 HydrophobicContact CE2-CE2 3.82Å; F179-Y214 HydrophobicContact CE2-CG 4.03Å; V211-Y214 HydrophobicContact CB-CD2 3.74Å; V211-Y214 HydrophobicContact CB-CE2 4.37Å; V211-Y214 HydrophobicContact CB-CG 4.41Å; V211-Y214 HydrophobicContact CG1-CD2 3.63Å; V211-Y214 HydrophobicContact CG1-CE2 3.87Å; V211-Y214 HydrophobicContact CG1-CG 4.29Å; V211-Y214 HydrophobicContact CG2-CD2 4.34Å; V211-Y214 PolarHBondContact O-N 2.95Å
215I94.9Very high94.3Very high44 Ų4447.4 Ų47.423%0.22625%0.254CS..EExtended strand (participates in β ladder)trans-94.819-176.152.1158.1000113.8P116 P117 S163 V209 G212 D213 I217P116-I215 HydrophobicContact CB-CD1 3.88Å; P117-I215 HydrophobicContact CG-CB 3.75Å; P117-I215 HydrophobicContact CG-CG2 4.18Å; P117-I215 WeakPolarHBondContact CG-O 3.31Å; S163-I215 PolarHBondContact O-N 3.11Å; V209-I215 HydrophobicContact CB-CG2 4.37Å; V209-I215 HydrophobicContact CG1-CG2 3.8Å; V209-I215 HydrophobicContact CG2-CG2 4.33Å; G212-I215 WeakPolarHBondContact O-CG2 3.31Å; D213-I215 PolarHBondContact O-N 3.39Å; I215-I217 PolarHBondContact O-N 3.01Å
216G95.6Very high94.3Very high3 Ų348.8 Ų48.83%0.03126%0.263CS..EExtended strand (participates in β ladder)trans-69.118.9-17000000117.3V159 Y160 A162 S163V159-G216 CarbonylContact C-O 3.52Å; V159-G216 VanDerWaalsContact CA-O 3.29Å; V159-G216 WeakPolarHBondContact CA-O 2.94Å; Y160-G216 PolarHBondContact N-O 2.83Å; A162-G216 WeakPolarHBondContact O-CA 3.41Å; S163-G216 WeakPolarHBondContact O-CA 3.01Å; S163-G216 PolarHBondContact O-N 3.27Å
217I96.2Very high94.3Very high17 Ų1747.9 Ų47.99%0.08726%0.259CS..EExtended strand (participates in β ladder)trans-71.3136.1178.1-164.6169.3000110.8P117 L123 F125 A157 L164 I215 S225P117-I217 HydrophobicContact CB-CG2 4.28Å; P117-I217 HydrophobicContact CG-CG2 4Å; L123-I217 HydrophobicContact CD1-CG2 4.47Å; L123-I217 HydrophobicContact CD2-CD1 3.48Å; L123-I217 VanDerWaalsContact CD2-CD1 3.48Å; L123-I217 HydrophobicContact CD2-CG2 3.97Å; F125-I217 HydrophobicContact CE1-CD1 4.48Å; F125-I217 HydrophobicContact CZ-CD1 4.2Å; A157-I217 HydrophobicContact CB-CD1 4.1Å; A157-I217 HydrophobicContact CB-CG1 4.08Å; L164-I217 HydrophobicContact CD1-CB 3.79Å; L164-I217 HydrophobicContact CD2-CB 3.85Å; L164-I217 HydrophobicContact CD2-CG1 4.08Å; L164-I217 HydrophobicContact CG-CB 4.47Å; I215-I217 PolarHBondContact O-N 3.01Å; I217-S225 WeakPolarHBondContact CG1-OG 3.32Å
218Y95.6Very high94.4Very high51 Ų5149.3 Ų49.320%0.227%0.269CS..EExtended strand (participates in β ladder)trans-139.2154.3-168.7-163.7-114.8000113.5T158 Y160 S225T158-Y218 WeakPolarHBondContact CB-O 3.45Å; T158-Y218 HydrophobicContact CG2-CD1 4.3Å; T158-Y218 PolarHBondContact O-N 3.23Å; Y160-Y218 AromaticContact CD1-CD1 3.92Å; Y160-Y218 HydrophobicContact CD1-CD1 3.92Å; Y160-Y218 HydrophobicContact CD1-CD2 4.33Å; Y160-Y218 AromaticContact CD1-CE1 3.74Å; Y160-Y218 HydrophobicContact CD1-CE1 3.74Å; Y160-Y218 HydrophobicContact CD1-CE2 4.22Å; Y160-Y218 HydrophobicContact CD1-CG 4.21Å; Y160-Y218 AromaticContact CD1-CZ 3.94Å; Y160-Y218 HydrophobicContact CE1-CE1 4.46Å; Y160-Y218 HydrophobicContact CG-CD1 4.26Å; Y160-Y218 HydrophobicContact CG-CE1 4.49Å; Y160-Y218 HydrophobicContact CG-CG 4.46Å; Y218-S225 PolarHBondContact O-OG 3.32Å
219A96.6Very high94.5Very high6 Ų647.6 Ų47.65%0.0526%0.262CS..  trans-146.5144.3169.200000109.2R110 T223R110-A219 HydrophobicContact CB-CB 4.06Å; A219-T223 CarbonylContact C-O 3.51Å; A219-T223 VanDerWaalsContact CA-O 3.3Å; A219-T223 WeakPolarHBondContact CA-O 3.45Å
220S94.6Very high94.7Very high27 Ų2751.9 Ų51.919%0.18928%0.28CS..BIsolated β-bridgetrans-148.7175.9178.675.50000110.1E112 K222 T223E112-S220 WeakPolarHBondContact OE2-CA 3.34Å; S220-K222 PolarHBondContact O-N 3.18Å; S220-K222 PolarHBondContact OG-N 3.05Å; S220-T223 WeakPolarHBondContact CB-OG1 3.34Å; S220-T223 PolarHBondContact N-O 3.04Å; S220-T223 PolarHBondContact N-OG1 2.93Å; S220-T223 PolarHBondContact O-N 3.33Å; S220-T223 VanDerWaalsContact O-N 3.15Å; S220-T223 PolarHBondContact OG-N 3.26Å; S220-T223 PolarHBondContact OG-OG1 2.98Å
221I94.2Very high95.2Very high144 Ų14451.7 Ų51.774%0.73827%0.272SS*.THydrogen-bonded Turntrans-45.1-33.2173.9-58.9173000113.7E112E112-I221 PolarHBondContact OE2-N 3.17Å
222K95.3Very high95.6Very high187 Ų18752.2 Ų52.281%0.81328%0.275SS*.THydrogen-bonded Turntrans-120.56.6-175.6-63.9-61.3-61.1179.10114.5S220S220-K222 PolarHBondContact O-N 3.18Å; S220-K222 PolarHBondContact OG-N 3.05Å
223T96.6Very high96Very high33 Ų3356.2 Ų56.220%0.20228%0.278CS..BIsolated β-bridgetrans-141131-178.464.40000110.1T158 A219 S220T158-T223 HydrophobicContact CG2-CG2 4.22Å; A219-T223 CarbonylContact C-O 3.51Å; A219-T223 VanDerWaalsContact CA-O 3.3Å; A219-T223 WeakPolarHBondContact CA-O 3.45Å; S220-T223 WeakPolarHBondContact CB-OG1 3.34Å; S220-T223 PolarHBondContact N-O 3.04Å; S220-T223 PolarHBondContact N-OG1 2.93Å; S220-T223 PolarHBondContact O-N 3.33Å; S220-T223 VanDerWaalsContact O-N 3.15Å; S220-T223 PolarHBondContact OG-N 3.26Å; S220-T223 PolarHBondContact OG-OG1 2.98Å
224D97.8Very high96.2Very high67 Ų6751.7 Ų51.736%0.35826%0.257SS..  trans-115.5156179.7-68-72000110.6K109 T158 T226K109-D224 HydrophobicContact CD-CB 4.47Å; K109-D224 WeakPolarHBondContact CD-OD1 3.39Å; K109-D224 WeakPolarHBondContact CE-OD1 3.47Å; K109-D224 IonicContact NZ-OD1 2.81Å; K109-D224 PolarHBondContact NZ-OD1 3.23Å; K109-D224 IonicContact NZ-OD2 2.74Å; T158-D224 PolarHBondContact OG1-O 2.99Å; D224-T226 HydrophobicContact CB-CG2 4.21Å
225S98.2Very high95.8Very high0 Ų048.8 Ų48.80%025%0.248CC..  trans-118.5121.3160.6-69.80000107.9K109 R110 F125 H156 A157 T158 I217 Y218K109-S225 CarbonylContact C-O 3.52Å; K109-S225 VanDerWaalsContact CA-O 3.23Å; K109-S225 WeakPolarHBondContact CA-O 3.5Å; K109-S225 WeakPolarHBondContact CB-O 3.48Å; R110-S225 PolarHBondContact N-O 3.44Å; F125-S225 WeakPolarHBondContact CD1-O 3.28Å; H156-S225 CarbonylContact O-C 3.59Å; H156-S225 VanDerWaalsContact O-CA 3.25Å; H156-S225 WeakPolarHBondContact O-CA 3.33Å; A157-S225 WeakPolarHBondContact CA-OG 2.97Å; T158-S225 PolarHBondContact N-OG 3.49Å; I217-S225 WeakPolarHBondContact CG1-OG 3.32Å; Y218-S225 PolarHBondContact O-OG 3.32Å
226T98.7Very high94.7Very high30 Ų3054.4 Ų54.418%0.18427%0.266CS..EExtended strand (participates in β ladder)trans-117.9151.4-172.2680000111.9A108 K109 V155 H156 D224A108-T226 CarbonylContact O-C 3.6Å; A108-T226 VanDerWaalsContact O-CA 3.28Å; A108-T226 WeakPolarHBondContact O-CA 3.33Å; K109-T226 HydrophobicContact CB-CG2 4Å; V155-T226 VanDerWaalsContact CA-O 3.31Å; V155-T226 WeakPolarHBondContact CA-O 3.2Å; H156-T226 PolarHBondContact N-O 3.41Å; H156-T226 PolarHBondContact O-N 3.49Å; D224-T226 HydrophobicContact CB-CG2 4.21Å
227F98.8Very high93.1Very high0 Ų060.2 Ų60.20%029%0.292CS..EExtended strand (participates in β ladder)trans-134.7126.4172176.6-143.8000108.6F106 S107 A108 F125 Y136 F153 A154 V155 L168 V205 V207F106-F227 AromaticContact CE2-CD1 3.67Å; F106-F227 HydrophobicContact CE2-CD1 3.67Å; F106-F227 AromaticContact CE2-CE1 3.79Å; F106-F227 HydrophobicContact CE2-CE1 3.79Å; F106-F227 HydrophobicContact CE2-CG 4.11Å; F106-F227 HydrophobicContact CE2-CZ 4.32Å; F106-F227 AromaticContact CZ-CD1 3.93Å; F106-F227 HydrophobicContact CZ-CD1 3.93Å; F106-F227 HydrophobicContact CZ-CD2 4.47Å; F106-F227 AromaticContact CZ-CE1 3.57Å; F106-F227 HydrophobicContact CZ-CE1 3.57Å; F106-F227 HydrophobicContact CZ-CE2 4.16Å; F106-F227 HydrophobicContact CZ-CG 4.37Å; F106-F227 AromaticContact CZ-CZ 3.7Å; F106-F227 HydrophobicContact CZ-CZ 3.7Å; S107-F227 WeakPolarHBondContact CA-O 3.44Å; A108-F227 PolarHBondContact N-O 3.46Å; A108-F227 PolarHBondContact O-N 3.47Å; F125-F227 HydrophobicContact CD1-CB 3.69Å; F125-F227 HydrophobicContact CD2-CB 3.69Å; F125-F227 HydrophobicContact CD2-CD1 4.03Å; F125-F227 HydrophobicContact CD2-CG 4.28Å; F125-F227 HydrophobicContact CE1-CB 3.7Å; F125-F227 HydrophobicContact CE2-CB 3.71Å; F125-F227 HydrophobicContact CE2-CD1 4.26Å; F125-F227 HydrophobicContact CE2-CG 4.25Å; F125-F227 HydrophobicContact CG-CB 3.7Å; F125-F227 HydrophobicContact CZ-CB 3.72Å; Y136-F227 HydrophobicContact CE2-CD1 4.1Å; Y136-F227 HydrophobicContact CE2-CE1 4.21Å; F153-F227 HydrophobicContact CB-CE2 4.22Å; F153-F227 AromaticContact CD1-CE2 3.76Å; F153-F227 HydrophobicContact CD1-CE2 3.76Å; F153-F227 AromaticContact CD1-CZ 3.81Å; F153-F227 HydrophobicContact CD1-CZ 3.81Å; F153-F227 HydrophobicContact CE1-CZ 4.34Å; F153-F227 HydrophobicContact CG-CE2 4.43Å; A154-F227 WeakPolarHBondContact O-CA 3.47Å; V155-F227 HydrophobicContact CG2-CD2 3.67Å; V155-F227 HydrophobicContact CG2-CE2 4.26Å; V155-F227 HydrophobicContact CG2-CG 4.39Å; L168-F227 HydrophobicContact CD2-CE2 3.75Å; L168-F227 HydrophobicContact CD2-CZ 4.3Å; V205-F227 HydrophobicContact CG1-CZ 4.49Å; V207-F227 HydrophobicContact CG2-CB 4.46Å; V207-F227 HydrophobicContact CG2-CD1 3.94Å; V207-F227 HydrophobicContact CG2-CD2 3.73Å; V207-F227 HydrophobicContact CG2-CE1 4.03Å; V207-F227 HydrophobicContact CG2-CE2 3.83Å; V207-F227 HydrophobicContact CG2-CG 3.8Å; V207-F227 HydrophobicContact CG2-CZ 3.98Å
228S98.9Very high91.1Very high29 Ų2965.5 Ų65.520%0.20333%0.331CS..EExtended strand (participates in β ladder)trans-133.7147.2-177.1-55.20000109.8F106 S107 F153 A154F106-S228 WeakPolarHBondContact O-CA 3.5Å; S107-S228 WeakPolarHBondContact CB-OG 3.45Å; S107-S228 PolarHBondContact OG-OG 3.39Å; F153-S228 CarbonylContact C-O 3.42Å; F153-S228 WeakPolarHBondContact CA-O 3.37Å; A154-S228 PolarHBondContact N-O 3.4Å; A154-S228 PolarHBondContact O-N 3.5Å
229G98.8Very high88.5Confident1 Ų165.9 Ų65.91%0.0134%0.341CS..EExtended strand (participates in β ladder)trans-152.2143.617400000111.4A105 F106 Y152A105-G229 CarbonylContact C-O 3.52Å; A105-G229 VanDerWaalsContact CA-O 3.31Å; A105-G229 WeakPolarHBondContact CA-O 3.48Å; F106-G229 WeakPolarHBondContact CD1-O 3.22Å; F106-G229 PolarHBondContact N-O 3.35Å; F106-G229 PolarHBondContact O-N 3.38Å; Y152-G229 CarbonylContact O-C 3.55Å; Y152-G229 VanDerWaalsContact O-CA 3.23Å; Y152-G229 WeakPolarHBondContact O-CA 3.47Å
230F98.6Very high86.3Confident91 Ų9170.6 Ų70.640%0.39937%0.371SS..EExtended strand (participates in β ladder)trans-151.1151.4177.259.2-91.5000112.8S104 A105 Y151 Y152 V232S104-F230 CarbonylContact O-C 3.56Å; S104-F230 VanDerWaalsContact O-CA 3.27Å; S104-F230 WeakPolarHBondContact O-CA 3.39Å; A105-F230 HydrophobicContact CB-CB 3.73Å; Y151-F230 CarbonylContact C-O 3.54Å; Y151-F230 VanDerWaalsContact CA-O 3.27Å; Y151-F230 WeakPolarHBondContact CA-O 3.23Å; Y151-F230 VanDerWaalsContact CD1-C 3.48Å; Y152-F230 AromaticContact CD1-CE1 3.57Å; Y152-F230 HydrophobicContact CD1-CE1 3.57Å; Y152-F230 AromaticContact CD1-CZ 3.63Å; Y152-F230 HydrophobicContact CD1-CZ 3.63Å; Y152-F230 HydrophobicContact CE1-CE1 4.41Å; Y152-F230 HydrophobicContact CG-CE1 4.46Å; Y152-F230 HydrophobicContact CG-CZ 4.25Å; Y152-F230 PolarHBondContact N-O 2.84Å; Y152-F230 PolarHBondContact O-N 2.82Å; F230-V232 HydrophobicContact CD2-CG2 4.2Å; F230-V232 HydrophobicContact CE2-CG2 3.93Å
231L97.8Very high84Confident26 Ų2674.7 Ų74.714%0.13640%0.395CS..EExtended strand (participates in β ladder)trans-69.6125.8171.4-18070000109.6P102 S104 V147 Y151 Y233P102-L231 HydrophobicContact CG-CD2 4.2Å; P102-L231 WeakPolarHBondContact O-CD2 3.43Å; S104-L231 PolarHBondContact O-N 3.46Å; V147-L231 HydrophobicContact CB-CD2 4.29Å; V147-L231 HydrophobicContact CG1-CD2 3.71Å; Y151-L231 HydrophobicContact CD1-CB 4.14Å; Y151-L231 HydrophobicContact CD2-CD1 4.03Å; Y151-L231 HydrophobicContact CE1-CB 3.69Å; Y151-L231 HydrophobicContact CE1-CD1 4.16Å; Y151-L231 HydrophobicContact CE2-CD1 3.54Å; L231-Y233 WeakPolarHBondContact CD1-O 3.42Å
232V96Very high81.6Confident70 Ų7076.5 Ų76.542%0.42440%0.397SS..EExtended strand (participates in β ladder)trans-89.8-47.2176.8-176.90000110.1V150 M196 F230V150-V232 WeakPolarHBondContact O-CB 3.43Å; V150-V232 PolarHBondContact O-N 3.11Å; M196-V232 HydrophobicContact CE-CG1 4.36Å; M196-V232 HydrophobicContact CE-CG2 4.17Å; F230-V232 HydrophobicContact CD2-CG2 4.2Å; F230-V232 HydrophobicContact CE2-CG2 3.93Å
233Y91.6Very high79.2Confident127 Ų12774.7 Ų74.750%0.49842%0.417SS..EExtended strand (participates in β ladder)trans-151.4146.4170.963.1-97.4000110.4G149 V150 L231 D235G149-Y233 VanDerWaalsContact CA-O 3.29Å; G149-Y233 WeakPolarHBondContact CA-O 3.35Å; V150-Y233 HydrophobicContact CB-CD1 4.17Å; V150-Y233 HydrophobicContact CB-CE1 3.63Å; V150-Y233 HydrophobicContact CB-CE2 4.05Å; V150-Y233 HydrophobicContact CG1-CE1 4.19Å; V150-Y233 HydrophobicContact CG2-CE1 3.89Å; V150-Y233 HydrophobicContact CG2-CE2 3.74Å; V150-Y233 WeakPolarHBondContact CG2-OH 3.34Å; V150-Y233 PolarHBondContact N-O 3.3Å; L231-Y233 WeakPolarHBondContact CD1-O 3.42Å; Y233-D235 WeakPolarHBondContact CE2-OD1 3.3Å
234S91.6Very high78.3Confident40 Ų4076.8 Ų76.828%0.2843%0.428SS..EExtended strand (participates in β ladder)trans-88.2144.8176.258.40000112.1P148 W236P148-S234 CarbonylContact O-C 3.59Å; P148-S234 VanDerWaalsContact O-CA 3.31Å; P148-S234 WeakPolarHBondContact O-CA 3.37Å; S234-W236 VanDerWaalsContact C-N 3.27Å; S234-W236 PolarHBondContact O-N 3.45Å
235D85.2Confident77.3Confident32 Ų3277.3 Ų77.317%0.17143%0.432CS..  trans-89.812.7172.7-69.8-21.5000112.9P148 R198 Y233 H237P148-D235 HydrophobicContact CB-CB 4.45Å; P148-D235 PolarHBondContact O-N 2.92Å; R198-D235 IonicContact CZ-OD2 3.13Å; R198-D235 IonicContact NE-OD2 2.73Å; R198-D235 PolarHBondContact NE-OD2 3.45Å; R198-D235 IonicContact NH2-OD2 2.82Å; R198-D235 PolarHBondContact NH2-OD2 3.48Å; Y233-D235 WeakPolarHBondContact CE2-OD1 3.3Å; D235-H237 PolarHBondContact O-N 3.25Å; D235-H237 PolarHBondContact O-ND1 3.33Å
236W72.2Confident76.1Confident161 Ų16181.6 Ų81.661%0.6146%0.456SS*.  trans-66.387.8168.5-80.3-7.9000109.6P102 P148 S234 S238P102-W236 HydrophobicContact CB-CE3 4.32Å; P102-W236 HydrophobicContact CB-CZ3 4.01Å; P102-W236 HydrophobicContact CG-CE3 4.04Å; P102-W236 HydrophobicContact CG-CZ3 4.24Å; P148-W236 VanDerWaalsContact CG-CD1 3.43Å; P148-W236 HydrophobicContact CG-CG 4.41Å; S234-W236 VanDerWaalsContact C-N 3.27Å; S234-W236 PolarHBondContact O-N 3.45Å; W236-S238 PolarHBondContact O-N 3.22Å
237H62.4Low74.8Confident126 Ų12684.6 Ų84.658%0.58347%0.472SS*.  trans-64.6122.1165.2-62.477.7000106.7D235 S239D235-H237 PolarHBondContact O-N 3.25Å; D235-H237 PolarHBondContact O-ND1 3.33Å; H237-S239 PolarHBondContact O-N 3.44Å
238S53.6Low73.3Confident128 Ų12889.9 Ų89.990%0.89550%0.501SS*.SBendtrans-60.784.6162.724.70000107.9W236W236-S238 PolarHBondContact O-N 3.22Å
239S41.4Very low71.6Confident59 Ų5994 Ų9441%0.41352%0.521SS..  trans77.199.3-172-138.60000115H237 V241H237-S239 PolarHBondContact O-N 3.44Å; S239-V241 PolarHBondContact O-N 3.39Å
240P49.2Very low69.6Low105 Ų105100.6 Ų100.668%0.68256%0.558SS**THydrogen-bonded Turntrans-65.1-1.9169.327.4-33.9000113.4
241V47.7Very low67.4Low113 Ų113101.4 Ų101.469%0.68557%0.57SS**THydrogen-bonded Turntrans-92.3-10.7-174.3-175.90000113S239S239-V241 PolarHBondContact O-N 3.39Å
242F43.5Very low64.9Low182 Ų182107.7 Ų107.780%0.79861%0.606SS**  trans-120.614.8-174-73.3-74.2000115.7
243A43.9Very low62Low149 Ų149111.1 Ų111.1100%1.23162%0.622SS**  trans-97.70169.500000111.7

Retrieved 243 of 243 residues in 384.3 ms (Link to these results)