A0A077Z1S3_TRITR Loading...

PDZ domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z1S3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 299 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.3Very low44.8Very low240 Ų240151.7 Ų151.7100%1.18281%0.809SS**  0118.70-72.4-177.2166.500108Q3M1-Q3 PolarHBondContact O-N 3.23Å
2S44.6Very low44Very low128 Ų128147 Ų14790%0.89580%0.795SS**PPolyproline II helixtrans-75.9117.9-176.5-36.60000109.8
3Q46.8Very low43Very low180 Ų180148.8 Ų148.884%0.84179%0.794SS**PPolyproline II helixtrans-70.3140171.5-75.2-173.1-20.300110M1M1-Q3 PolarHBondContact O-N 3.23Å
4P49.6Very low42.1Very low122 Ų122145.6 Ų145.679%0.79278%0.783SS**PPolyproline II helixtrans-69.4136.1174.429.3-33.3000110.2
5L44.7Very low41.2Very low158 Ų158141 Ų14183%0.82776%0.761SS**PPolyproline II helixtrans-61.2140.1172.7-71.5165.4000110.1
6P45.1Very low40.5Very low103 Ų103140.7 Ų140.767%0.66976%0.759SS**PPolyproline II helixtrans-64.6146.3178.627-34.3000111.1I8P6-I8 PolarHBondContact O-N 3.35Å
7P48.8Very low39.9Very low126 Ų126137.2 Ų137.282%0.81874%0.744SS**PPolyproline II helixtrans-62.8121.3-177.925-33.9000111.1C9P7-C9 PolarHBondContact O-N 3.5Å
8I49Very low39.3Very low142 Ų142140 Ų14073%0.72874%0.743SS**PPolyproline II helixtrans-63.9132.9177.9-62.2171.9000108.9P6 H10P6-I8 PolarHBondContact O-N 3.35Å; I8-H10 PolarHBondContact O-CD2 3.42Å; I8-H10 PolarHBondContact O-N 2.95Å
9C39.7Very low38.9Very low70 Ų70139.4 Ų139.447%0.47374%0.74SS.*  trans-66.4104.3-178.4-173.20000111.2P7 R11P7-C9 PolarHBondContact O-N 3.5Å; C9-R11 PolarHBondContact O-N 3.47Å
10H44Very low38.6Very low188 Ų188137.9 Ų137.987%0.8774%0.738SS**THydrogen-bonded Turntrans-68.627.1178.2-65.6-77.6000115I8I8-H10 PolarHBondContact O-CD2 3.42Å; I8-H10 PolarHBondContact O-N 2.95Å
11R37.8Very low38.4Very low212 Ų212135.6 Ų135.680%0.873%0.733SS**THydrogen-bonded Turntrans-111.321179.6-123.4177.9-171.9176.63.6114.1C9 H13C9-R11 PolarHBondContact O-N 3.47Å; R11-H13 PolarHBondContact O-N 3.32Å
12C35.2Very low37.9Very low95 Ų95130.8 Ų130.864%0.64272%0.717SS**  trans-68.5105161.6-58.90000108.8V14C12-V14 PolarHBondContact O-N 3.5Å
13H30Very low37.8Very low170 Ų170133 Ų13379%0.78772%0.715SS**  trans-71.482.8166-79.2-81.5000109.1R11 V15R11-H13 PolarHBondContact O-N 3.32Å; H13-V15 PolarHBondContact O-N 3.28Å
14V30.4Very low37.4Very low104 Ų104133.6 Ų133.663%0.6372%0.718SS**  trans-67.7107.8161.3-178.50000106.3C12C12-V14 PolarHBondContact O-N 3.5Å
15V28.7Very low36.8Very low77 Ų77131.2 Ų131.247%0.46772%0.716SS.*  trans-93.796.6167178.10000105.9H13 V17H13-V15 PolarHBondContact O-N 3.28Å; V15-V17 HydrophobicContact CG1-CG2 4.19Å; V15-V17 PolarHBondContact O-N 3.46Å
16D30.2Very low36.6Very low136 Ų136133.4 Ų133.473%0.72772%0.718SS**  trans-63.7101.1171.3-72.3-46.1000109.4Y18D16-Y18 PolarHBondContact O-N 3.44Å; D16-Y18 VanDerWaalsContact O-N 3.14Å
17V30Very low36.4Very low81 Ų81137.6 Ų137.649%0.49173%0.732SS.*  trans-85.674.9165-174.60000108V15V15-V17 HydrophobicContact CG1-CG2 4.19Å; V15-V17 PolarHBondContact O-N 3.46Å
18Y30.4Very low36.1Very low188 Ų188141.9 Ų141.974%0.73773%0.731SS**  trans-67.1126.1166-148.4-88.9000108.2D16 P20D16-Y18 PolarHBondContact O-N 3.44Å; D16-Y18 VanDerWaalsContact O-N 3.14Å; Y18-P20 WeakPolarHBondContact O-CD 3.47Å
19N31.1Very low35.6Very low129 Ų129141.2 Ų141.269%0.6973%0.729SS**  trans-105.6102.3175.3-173.723.2000109.8S21N19-S21 PolarHBondContact O-N 3.06Å
20P32.2Very low35.6Very low108 Ų108142.6 Ų142.670%0.70174%0.74SS**  trans-92.387.6-173.235.5-32000111.2Y18Y18-P20 WeakPolarHBondContact O-CD 3.47Å
21S34.5Very low35.6Very low90 Ų90141.3 Ų141.363%0.62974%0.738SS**  trans-154.349.717570.80000114.3N19N19-S21 PolarHBondContact O-N 3.06Å
22V34.3Very low36.1Very low139 Ų139135.4 Ų135.484%0.84273%0.73SS**  trans-143.469166.8-167.60000110.7
23M41.1Very low36.7Very low174 Ų174137.4 Ų137.486%0.85773%0.734SS**  trans-156141.8155.9-91.6-50.8165.300109.4
24E38.8Very low37.7Very low194 Ų194136.4 Ų136.491%0.90774%0.735SS**  trans63.4140166.1-60.6171.616000118.3
25G37.8Very low38.4Very low71 Ų71138.4 Ų138.473%0.73274%0.742SS**  cis144.876.5-5.600000115.2
26K40.5Very low39.1Very low204 Ų204139.7 Ų139.789%0.88775%0.754SS**  trans49.2114.1159.1-65.3177.7176176.40119.8
27M40.9Very low39.7Very low192 Ų192136.3 Ų136.395%0.94675%0.751SS**  trans174.9106.7131.6-95.6170.5-161.100106.9
28R41.8Very low40.6Very low216 Ų216139.3 Ų139.382%0.81576%0.763SS**  74.6121.182.5-107.8-162.8174.3-1750.2115.9
29D38Very low41.5Very low127 Ų127140 Ų14068%0.67977%0.77SS**  trans65.5144.5153.8-43.4-29.8000117.9
30S40.5Very low42.3Very low100 Ų100139.9 Ų139.970%0.69978%0.776SS**  cis-171.1174.5-15.5-89.70000109.1
31L44.6Very low42.8Very low160 Ų160138 Ų13884%0.83878%0.777SS**  trans80.6113.4169-55.1167.9000116.3
32S47.5Very low43.2Very low89 Ų89139 Ų13962%0.62278%0.784SS**  68.1138.675.471.90000114.5
33D46.8Very low43.8Very low136 Ų136138.2 Ų138.273%0.72778%0.784SS**  cis-167170.3-1.8-100.9-27.5000109.5
34N51Low44.3Very low150 Ų150134.6 Ų134.680%0.80278%0.776SS**  trans69156.9163.5-50.5-32.8000117.9
35D46.1Very low44.6Very low145 Ų145130.2 Ų130.278%0.77577%0.767SS**  cis-151.2-166.8-7.8-143.5-49.7000111.6
36S44.2Very low45.1Very low105 Ų105132.4 Ų132.473%0.73477%0.771SS**  trans-90.8169.4-157.749.80000120.2
37G41.9Very low45.5Very low64 Ų64127.2 Ų127.266%0.6677%0.766SS**  trans142.9112.7169.100000113.8
38I47.9Very low45.6Very low145 Ų145126.7 Ų126.774%0.74476%0.761SS**  76.3124.150.7-56.9169.7000111.2
39F50.2Low45.8Very low201 Ų201121.7 Ų121.788%0.88276%0.76SS**  cis-141.1173.210.2-100.4-52.7000112
40P48.1Very low46Very low127 Ų127122.8 Ų122.883%0.82577%0.766SS**  trans-116.3167.4177.541.1-30.6000117
41G41.9Very low46Very low69 Ų69127.9 Ų127.971%0.71177%0.769SS**  trans161163165.800000111.8
42S43.4Very low45.8Very low112 Ų112125.8 Ų125.878%0.78377%0.769SS**  cis-168.4142.1-16.2-77.80000108.7
43S47.7Very low45.6Very low121 Ų121132 Ų13285%0.84678%0.779SS**  trans63.2157.1153-59.30000118.9
44S50.6Low45.5Very low98 Ų98133.7 Ų133.769%0.68579%0.786SS**  cis-165.6161.2-3.541.20000110.4
45S45.9Very low45.1Very low102 Ų102132.1 Ų132.171%0.71378%0.784SS**  trans52.4149.5142.761.70000121.8
46S47.8Very low45Very low117 Ų117134.5 Ų134.582%0.81879%0.791SS**  cis-175-175.3-9.8-900000108.1
47A49.6Very low44.7Very low95 Ų95138.3 Ų138.379%0.78580%0.797SS**  trans99120.2157.300000118.3
48E42.6Very low44.7Very low181 Ų181141.8 Ų141.885%0.84681%0.805SS**  trans-80.2169.9175.5-54.8109.4126.500113.7
49S45.9Very low44.2Very low111 Ų111143 Ų14378%0.77681%0.812SS**  trans-157.8103.4148.9-179.70000109.6
50D42Very low43.9Very low151 Ų151138.9 Ų138.981%0.80781%0.806SS**  trans-64.6151.8166.4-79.2-52.3000112.1
51R41.1Very low43.8Very low206 Ų206139 Ų13978%0.77781%0.805SS**  trans-144.598.3156.6-82-161.2173.3-144.3-2.5110.3
52S39.7Very low43.7Very low117 Ų117146 Ų14682%0.81881%0.81SS**  trans-59.3140164.551.70000111.6
53W43.2Very low44Very low220 Ų220149.7 Ų149.783%0.83381%0.814SS**  trans-124.2119166.5-7393000109.4
54L43.9Very low43.7Very low170 Ų170151.5 Ų151.589%0.8981%0.81SS**PPolyproline II helixtrans-73.1135.1170.9-73.3156.4000109.7
55P43.6Very low43.1Very low117 Ų117157.7 Ų157.776%0.7682%0.818SS**PPolyproline II helixtrans-90.8130.1162.232.7-26.8000110.4
56E43.7Very low42.8Very low195 Ų195157.8 Ų157.891%0.91183%0.825SS**PPolyproline II helixtrans-64.9139.8169.4-80.3177.2120.400111.5
57E38.7Very low42.3Very low186 Ų186155.6 Ų155.687%0.86982%0.821SS**PPolyproline II helixtrans-74.9135.3175-60176.4124.800111.1
58T41Very low41.8Very low136 Ų136157.7 Ų157.783%0.83483%0.828SS**  trans-166.999.9147.94.80000110.1
59L37Very low41.8Very low170 Ų170157.7 Ų157.789%0.8983%0.828SS**  trans-108.1122.6166.3-71.1174.6000108.7
60P45.1Very low41.8Very low116 Ų116157.8 Ų157.875%0.75383%0.826SS**  trans-83.9125.2162.430.6-27.4000109.9
61V45.4Very low41.8Very low130 Ų130155.8 Ų155.879%0.78882%0.819SS**  trans-58.8136.7174.2170.30000110.7Q63V61-Q63 PolarHBondContact O-N 3.11Å
62W40.1Very low41.7Very low215 Ų215155.4 Ų155.481%0.81482%0.819SS**  trans-77.3114.8166.6-83.357.8000109.4
63Q48.6Very low41.9Very low190 Ų190157.1 Ų157.189%0.88881%0.813SS**  trans-119128.3170.6-153.5168.716.900109.9V61V61-Q63 PolarHBondContact O-N 3.11Å
64Q41.2Very low41.8Very low159 Ų159150.5 Ų150.574%0.74380%0.801SS**  trans-95.6141.3-173.7-111.4-173.114.500111.9
65R38.2Very low41.7Very low227 Ų227149.7 Ų149.786%0.85780%0.797SS**  trans77.8133.7155.1-64-179.4-179.4-144.9-1.4120.3
66A40.2Very low41.7Very low105 Ų105152.8 Ų152.887%0.86880%0.802SS**  trans81.9113141.100000120.2
67G36.6Very low41.8Very low71 Ų71151.3 Ų151.373%0.73280%0.795SS**  trans118.6120.3134.800000117.6
68C40.3Very low41.7Very low138 Ų138152.6 Ų152.693%0.93280%0.798SS**  trans72.2110.7149.2-57.60000120.4
69H42.3Very low42.1Very low182 Ų182156.7 Ų156.784%0.84380%0.798SS**  trans-79.5178.3154.6-73.2-74.3000111
70P46.4Very low42.3Very low113 Ų113154.5 Ų154.573%0.73479%0.794SS**  -137-133.9-57.242.3-24.5000110.7
71V41.2Very low42.2Very low108 Ų108159.7 Ų159.766%0.65580%0.798SS**  trans99.2127.1160.3-139.30000119.9
72Y40.4Very low42.1Very low199 Ų199161.7 Ų161.778%0.7880%0.804SS**  trans106.3123.9148.7-78.7-56.8000123.5
73H42.6Very low42.4Very low152 Ų152161.6 Ų161.670%0.70481%0.805SS**  trans75.290.9143.6-79.5-57.8000124
74S41.9Very low42.2Very low81 Ų81158.1 Ų158.157%0.56680%0.802SS**  48.9128.4114.562.30000123.2
75N40.9Very low42.2Very low154 Ų154160 Ų16082%0.82481%0.807SS**  trans64.5112.7143.8-59.7-10.6000119.6
76E44Very low42.3Very low182 Ų182160.4 Ų160.485%0.8581%0.809SS**  -165.2135.6106.9-107.8179.4-170.500116
77Q46.3Very low42.4Very low164 Ų164160 Ų16077%0.76680%0.8SS**  trans2119.6161.5-57.5177.912.700121.6
78F37.2Very low42.7Very low212 Ų212165 Ų16593%0.9381%0.809SS**  trans-75.6136.2154.4-91.8-99.7000111.9
79R48Very low42.7Very low223 Ų223163.2 Ų163.284%0.84281%0.805SS**  trans-120.8125.8159.3-80.9-170.4176.2-169.50.4110.6
80P40.9Very low42.6Very low123 Ų123158.9 Ų158.980%0.79980%0.801SS**PPolyproline II helixtrans-81.8130.3169.331.5-30.8000111
81R44.6Very low42.2Very low225 Ų225159.9 Ų159.985%0.84981%0.805SS**PPolyproline II helixtrans-82.5116.5169.1-88.4-177.4170.1164.5-3.1110.3
82L42.4Very low42.2Very low173 Ų173164.4 Ų164.491%0.90682%0.816SS**PPolyproline II helixtrans-74.5133.8164.1-69.3164.8000109.6
83Y45.6Very low42.3Very low213 Ų213160.6 Ų160.684%0.83581%0.813SS**  trans-113.6127.3163-97-80.1000110.2
84S44.4Very low42.1Very low117 Ų117159.2 Ų159.282%0.81882%0.818SS**  trans-102.1146.3-173.8171.70000112.3
85K41.3Very low42.1Very low198 Ų198166.9 Ų166.986%0.86183%0.834SS**  trans-44.8143.6177.5-60.9167.7176.2174.20115.5
86R40.7Very low42.1Very low235 Ų235170.7 Ų170.789%0.88784%0.837SS**  trans-166.798131.3-101.6173.2-179.6-173.50107.5
87S41.9Very low42Very low97 Ų97171.5 Ų171.568%0.67884%0.841SS**  59.1106.189710000114.5
88N43.4Very low41.9Very low175 Ų175169.5 Ų169.594%0.93684%0.84SS**  trans-148.9146.1146.3-98.2-25.1000109.1
89A40.6Very low42.2Very low102 Ų102168.9 Ų168.984%0.84384%0.837SS**  trans-88.3147.2-164.100000113.4
90A40.6Very low42Very low91 Ų91165.6 Ų165.675%0.75284%0.835SS**  trans-133.9120.2159.600000108.9F92A90-F92 PolarHBondContact O-N 3.33Å
91T38.6Very low42.1Very low134 Ų134168.4 Ų168.482%0.82284%0.838SS**  trans-68.4123.5-170.1-46.20000112
92F39.6Very low42Very low202 Ų202168.2 Ų168.289%0.88684%0.837SS**  trans-110.5121.4166.3-103-88.7000111.4A90A90-F92 PolarHBondContact O-N 3.33Å
93V42.3Very low42.1Very low119 Ų119165.5 Ų165.572%0.72183%0.828SS**  trans-76.8129.2-1751770000110.7R95V93-R95 PolarHBondContact O-N 2.91Å; V93-R95 VanDerWaalsContact O-N 3.14Å
94P38.8Very low41.7Very low124 Ų124164 Ų16481%0.80583%0.828SS**  trans-76102.2174.529.9-32.7000110.3
95R42.6Very low41.3Very low242 Ų242163.1 Ų163.191%0.91382%0.821SS**PPolyproline II helixtrans-86.3119.4176.9-151.6170.1-170.7158.42.1110.6V93V93-R95 PolarHBondContact O-N 2.91Å; V93-R95 VanDerWaalsContact O-N 3.14Å
96R41.2Very low41.3Very low234 Ų234160.8 Ų160.888%0.88382%0.819SS**PPolyproline II helixtrans-47.4132-175-60.2170176.6172.9-3.3113.4
97Q42.1Very low41.4Very low199 Ų199157.5 Ų157.593%0.9382%0.818SS**PPolyproline II helixtrans-100.7119.3152.5-77.8-169.9-14.100109.3
98T43.6Very low41.4Very low121 Ų121159.8 Ų159.874%0.74282%0.821SS**PPolyproline II helixtrans-82.7135.7179.441.40000111.4L100T98-L100 PolarHBondContact O-N 3.13Å
99K42.5Very low41.2Very low200 Ų200157.5 Ų157.587%0.8781%0.813SS**PPolyproline II helixtrans-58.6130.5168.7-69.5177.5176.1178.70110.4
100L44.2Very low41.4Very low153 Ų153161.9 Ų161.980%0.80182%0.816SS**  trans-130.394.5156.5-95167.9000108.7T98T98-L100 PolarHBondContact O-N 3.13Å
101Q42.3Very low41.5Very low182 Ų182168.2 Ų168.285%0.8582%0.821SS**  trans-74124.3154.2-73.8172.7-64.900107.4
102R44.2Very low41.6Very low222 Ų222173.1 Ų173.184%0.83882%0.824SS**  trans-163.1107.8151.1-110.6163.4-167.5-172.92.4111.7
103T44.6Very low41.7Very low116 Ų116170.3 Ų170.371%0.71282%0.823SS**  trans46.8105.4132.556.70000119.7
104H36.1Very low41.6Very low182 Ų182175.6 Ų175.684%0.84383%0.83SS**  53.5140.5119.6-85.5-104.2000122.5
105S35.8Very low41.7Very low97 Ų97177.9 Ų177.968%0.67884%0.836SS**  trans56.2107149.755.30000119.4
106N41.5Very low41.4Very low150 Ų150169.9 Ų169.980%0.80283%0.829SS**  trans-176.68133.7-99.1-25.4000117
107L42.2Very low41.5Very low166 Ų166166.5 Ų166.587%0.86983%0.827SS**SBendtrans-112.316-165.4-99.8164.9000118
108I42.1Very low41.5Very low145 Ų145165.9 Ų165.974%0.74482%0.824SS**SBendtrans-119.610.2-178.2-53.1-178000113
109T40.3Very low41.1Very low126 Ų126165.4 Ų165.477%0.77383%0.826SS**THydrogen-bonded Turntrans-85.1-4.1177.80.50000115.1
110Q44.2Very low40.9Very low195 Ų195162.1 Ų162.191%0.91182%0.823SS**THydrogen-bonded Turntrans-96.87.1176.3-78.9-172.2-21.100114.8
111R42.6Very low40.7Very low224 Ų224160.3 Ų160.385%0.84582%0.822SS**SBendtrans-97.120.8-177.3-79-167176-166.4-0.4115.7
112R41.7Very low40.7Very low236 Ų236159.1 Ų159.189%0.89182%0.821SS**SBendtrans-14046.9-177.2-67.1-168.5-179.5-178.30.7115.3
113V40.8Very low40.9Very low143 Ų143156.5 Ų156.587%0.86782%0.818SS**SBendtrans-145.665165-165.30000111
114R40.6Very low41.5Very low230 Ų230156 Ų15687%0.86882%0.817SS**  trans-16031.1160.7-131.7173.7-176.1164.51.6116.5
115D41.3Very low42.7Very low173 Ų173151.7 Ų151.793%0.92581%0.805SS**  trans-88.4114.9159.3-67.1-51.9000107.7
116G36.5Very low44.2Very low74 Ų74151.4 Ų151.476%0.76380%0.801SS**  trans127.756.1179.800000115.8
117L43.1Very low45.4Very low163 Ų163151.1 Ų151.185%0.85379%0.79SS**  trans-146.6116.7151.1-106.8168.3000108.3
118Q42.2Very low46.8Very low185 Ų185149.1 Ų149.186%0.86478%0.78SS**  trans-80.7134.7-170.1-69.8169.7-22.500112T120Q118-T120 PolarHBondContact O-N 3.17Å
119S33.4Very low48.1Very low111 Ų111147 Ų14778%0.77677%0.77SS**  trans27.194.9134.6-179.90000118.2
120T39.3Very low49.4Very low132 Ų132143.1 Ų143.181%0.8175%0.75SS**  trans-133.7135.9139.647.40000109.1Q118 N122Q118-T120 PolarHBondContact O-N 3.17Å; T120-N122 PolarHBondContact O-N 3.03Å
121C40.4Very low50.7Low114 Ų114136 Ų13677%0.7772%0.718SS**  trans-72.7124.7-170.1-59.70000112E123C121-E123 VanDerWaalsContact C-N 3.26Å; C121-E123 PolarHBondContact O-N 3.23Å
122N41.7Very low52.1Low157 Ų157127.7 Ų127.784%0.8470%0.697SS**  trans-81.373.6166.7-73.5-48.8000109.9T120T120-N122 PolarHBondContact O-N 3.03Å
123E48.8Very low53.4Low167 Ų167124.5 Ų124.578%0.7869%0.685SS**PPolyproline II helixtrans-96.6132.9169.8-161.4168.8-161.400109.3C121C121-E123 VanDerWaalsContact C-N 3.26Å; C121-E123 PolarHBondContact O-N 3.23Å
124P57Low54.9Low107 Ų107121.4 Ų121.470%0.69566%0.663SS**PPolyproline II helixtrans-63.3148.5178.626.9-34.6000110.9
125P60.1Low56.3Low90 Ų90114.5 Ų114.558%0.58464%0.644SS**PPolyproline II helixtrans-58.8138.5-178.224.5-34.1000110.6Y127P125-Y127 PolarHBondContact O-N 3.2Å
126P67.7Low57.8Low91 Ų91112.6 Ų112.659%0.59163%0.629SS**PPolyproline II helixtrans-58140.2-176.922-32.7000111N128 L129P126-N128 PolarHBondContact O-N 3.32Å; P126-L129 HydrophobicContact CG-CB 4.46Å; P126-L129 WeakPolarHBondContact O-CB 3.39Å; P126-L129 PolarHBondContact O-N 3.35Å
127Y67Low59.4Low144 Ų144114.9 Ų114.957%0.56562%0.623SS**Hα-helixtrans-45.4-38.2-172.2176.5-109.8000114.4P125 L129 A130 L131P125-Y127 PolarHBondContact O-N 3.2Å; Y127-L129 VanDerWaalsContact C-N 3.3Å; Y127-L129 PolarHBondContact O-N 3.26Å; Y127-A130 PolarHBondContact O-N 3.36Å; Y127-L131 HydrophobicContact CD1-CD1 3.87Å; Y127-L131 HydrophobicContact CE1-CD1 3.29Å; Y127-L131 HydrophobicContact CE1-CG 4.3Å; Y127-L131 HydrophobicContact CE2-CD1 4.34Å; Y127-L131 PolarHBondContact O-N 2.93Å
128N70.9Confident60.6Low125 Ų125112.9 Ų112.967%0.66860%0.604SS**Hα-helixtrans-60.1-35.5178.5-61.5-15.2000113.2P126 L131 A132P126-N128 PolarHBondContact O-N 3.32Å; N128-L131 PolarHBondContact O-N 3.42Å; N128-A132 WeakPolarHBondContact O-CB 3.48Å; N128-A132 PolarHBondContact O-N 2.86Å
129L71.3Confident61.8Low101 Ų101107.2 Ų107.253%0.52959%0.585SS.*Hα-helixtrans-77.8-33.4-178-156.3151.8000111.3P126 Y127 R133P126-L129 HydrophobicContact CG-CB 4.46Å; P126-L129 WeakPolarHBondContact O-CB 3.39Å; P126-L129 PolarHBondContact O-N 3.35Å; Y127-L129 VanDerWaalsContact C-N 3.3Å; Y127-L129 PolarHBondContact O-N 3.26Å; L129-R133 PolarHBondContact O-N 3.25Å
130A65.7Low63Low44 Ų44104.5 Ų104.536%0.36457%0.569SS.*Hα-helixtrans-66.2-42.916900000111.7Y127 R133 I134Y127-A130 PolarHBondContact O-N 3.36Å; A130-R133 PolarHBondContact O-N 3.14Å; A130-I134 WeakPolarHBondContact O-CG1 3.34Å; A130-I134 PolarHBondContact O-N 2.91Å
131L72.5Confident63.8Low44 Ų44101.7 Ų101.723%0.2356%0.56CS.*Hα-helixtrans-61.3-46.4174.5-99.4170.3000112.7Y127 N128 R133 I134 N135Y127-L131 HydrophobicContact CD1-CD1 3.87Å; Y127-L131 HydrophobicContact CE1-CD1 3.29Å; Y127-L131 HydrophobicContact CE1-CG 4.3Å; Y127-L131 HydrophobicContact CE2-CD1 4.34Å; Y127-L131 PolarHBondContact O-N 2.93Å; N128-L131 PolarHBondContact O-N 3.42Å; L131-R133 VanDerWaalsContact C-N 3.29Å; L131-R133 PolarHBondContact O-N 3.29Å; L131-I134 PolarHBondContact O-N 3.16Å; L131-N135 PolarHBondContact O-N 3.46Å
132A72Confident64.6Low50 Ų50102.4 Ų102.441%0.41356%0.555SS.*Hα-helixtrans-56-45.5177.200000111.4N128 I134 N135 E136N128-A132 WeakPolarHBondContact O-CB 3.48Å; N128-A132 PolarHBondContact O-N 2.86Å; A132-I134 PolarHBondContact O-N 3.11Å; A132-N135 WeakPolarHBondContact O-CB 3.29Å; A132-N135 PolarHBondContact O-N 2.99Å; A132-N135 VanDerWaalsContact O-N 3.16Å; A132-E136 PolarHBondContact O-N 3.4Å
133R68.8Low65.2Low169 Ų169102.7 Ų102.764%0.63855%0.551SS**Hα-helixtrans-68.9-30.9179.6-154.8170.3-169.5167.82.8113.5L129 A130 L131 L137L129-R133 PolarHBondContact O-N 3.25Å; A130-R133 PolarHBondContact O-N 3.14Å; L131-R133 VanDerWaalsContact C-N 3.29Å; L131-R133 PolarHBondContact O-N 3.29Å; R133-L137 VanDerWaalsContact O-CG 3.29Å; R133-L137 WeakPolarHBondContact O-CG 3.5Å; R133-L137 PolarHBondContact O-N 2.81Å
134I71.9Confident65Low78 Ų7899.5 Ų99.540%0.454%0.539SS..Hα-helixtrans-69.1-39.7170.9-69.5165.8000110.4A130 L131 A132 L137 R138A130-I134 WeakPolarHBondContact O-CG1 3.34Å; A130-I134 PolarHBondContact O-N 2.91Å; L131-I134 PolarHBondContact O-N 3.16Å; A132-I134 PolarHBondContact O-N 3.11Å; I134-L137 PolarHBondContact O-N 3.06Å; I134-R138 WeakPolarHBondContact O-CG 3.45Å; I134-R138 PolarHBondContact O-N 2.81Å
135N70.8Confident64.4Low85 Ų85100.1 Ų100.146%0.45554%0.541SS..Hα-helixtrans-67.1-43.2177.5-71.2-8.6000111.9L131 A132 L137 R138 S139L131-N135 PolarHBondContact O-N 3.46Å; A132-N135 WeakPolarHBondContact O-CB 3.29Å; A132-N135 PolarHBondContact O-N 2.99Å; A132-N135 VanDerWaalsContact O-N 3.16Å; N135-L137 VanDerWaalsContact C-N 3.29Å; N135-L137 PolarHBondContact O-N 3.34Å; N135-R138 PolarHBondContact O-N 3.22Å; N135-R138 VanDerWaalsContact O-N 3.11Å; N135-S139 PolarHBondContact O-N 3.19Å; N135-S139 PolarHBondContact O-OG 3.05Å
136E72.9Confident63.5Low133 Ų133102.3 Ų102.362%0.62155%0.548SS*.Hα-helixtrans-54.9-44.3171.7-74.3179.5152.800111.9A132 S139 A140A132-E136 PolarHBondContact O-N 3.4Å; E136-S139 PolarHBondContact O-N 3.06Å; E136-A140 WeakPolarHBondContact O-CB 3.43Å; E136-A140 PolarHBondContact O-N 2.91Å
137L70.1Confident61.9Low123 Ų123103.1 Ų103.164%0.64456%0.556SS**Hα-helixtrans-68.1-33.7177.2-70.6170.8000112.9R133 I134 N135 A141R133-L137 VanDerWaalsContact O-CG 3.29Å; R133-L137 WeakPolarHBondContact O-CG 3.5Å; R133-L137 PolarHBondContact O-N 2.81Å; I134-L137 PolarHBondContact O-N 3.06Å; N135-L137 VanDerWaalsContact C-N 3.29Å; N135-L137 PolarHBondContact O-N 3.34Å; L137-A141 WeakPolarHBondContact O-CB 3.35Å; L137-A141 PolarHBondContact O-N 3.37Å
138R68.5Low60.6Low120 Ų120102.4 Ų102.445%0.45356%0.561SS.*Hα-helixtrans-67.5-46.3172.2-76.1-177.1176.5-174.3-0.6110.9I134 N135 A141 I142 E251I134-R138 WeakPolarHBondContact O-CG 3.45Å; I134-R138 PolarHBondContact O-N 2.81Å; N135-R138 PolarHBondContact O-N 3.22Å; N135-R138 VanDerWaalsContact O-N 3.11Å; R138-A141 PolarHBondContact O-N 3Å; R138-I142 WeakPolarHBondContact O-CG1 3.5Å; R138-I142 PolarHBondContact O-N 3.3Å; R138-E251 IonicContact CZ-OE1 3.82Å; R138-E251 IonicContact CZ-OE2 3.87Å; R138-E251 IonicContact NH1-OE1 3.33Å; R138-E251 PolarHBondContact NH1-OE1 2.93Å; R138-E251 IonicContact NH2-OE1 3.31Å; R138-E251 PolarHBondContact NH2-OE1 3.43Å; R138-E251 IonicContact NH2-OE2 2.75Å; R138-E251 PolarHBondContact NH2-OE2 2.92Å
139S66.2Low58.9Low67 Ų67106.4 Ų106.447%0.46957%0.572SS.*Hα-helixtrans-61.3-46.2176.9-64.60000112.4N135 E136 A141 I142 E143N135-S139 PolarHBondContact O-N 3.19Å; N135-S139 PolarHBondContact O-OG 3.05Å; E136-S139 PolarHBondContact O-N 3.06Å; S139-A141 PolarHBondContact O-N 3.48Å; S139-I142 PolarHBondContact O-N 3.34Å; S139-E143 PolarHBondContact O-N 2.93Å; S139-E143 VanDerWaalsContact O-N 3.17Å
140A59.8Low57.2Low53 Ų53111.4 Ų111.444%0.43858%0.584SS.*Hα-helixtrans-62.5-25.5178.500000113.7E136E136-A140 WeakPolarHBondContact O-CB 3.43Å; E136-A140 PolarHBondContact O-N 2.91Å
141A56.2Low55.7Low73 Ų73115 Ų11560%0.60361%0.606SS**Hα-helixtrans-82.4-22.517500000113.7L137 R138 S139L137-A141 WeakPolarHBondContact O-CB 3.35Å; L137-A141 PolarHBondContact O-N 3.37Å; R138-A141 PolarHBondContact O-N 3Å; S139-A141 PolarHBondContact O-N 3.48Å
142I56.9Low53.9Low130 Ų130121.1 Ų121.167%0.66763%0.632SS**Hα-helixtrans-85.1-36.9179.8-67.8164.5000111R138 S139R138-I142 WeakPolarHBondContact O-CG1 3.5Å; R138-I142 PolarHBondContact O-N 3.3Å; S139-I142 PolarHBondContact O-N 3.34Å
143E54.1Low51.9Low162 Ų162124.8 Ų124.876%0.75765%0.649SS**Hα-helixtrans-84.9-19.8-175.5-67-175.5157.300114.8S139 T145S139-E143 PolarHBondContact O-N 2.93Å; S139-E143 VanDerWaalsContact O-N 3.17Å; E143-T145 PolarHBondContact O-N 3.47Å
144N44Very low50.1Low101 Ų101123.7 Ų123.754%0.5466%0.655SS.*  trans-101.758.8-177.3-79.6-57.2000113.9N146N144-N146 PolarHBondContact O-N 2.83Å
145T46Very low48.2Very low119 Ų119131 Ų13173%0.7368%0.678SS**  trans-81.118.8167.649.70000113.6E143E143-T145 PolarHBondContact O-N 3.47Å
146N40.1Very low46.3Very low136 Ų136137.8 Ų137.873%0.72770%0.698SS**SBendtrans-148.5128.4170.9-84.5-60.4000112.8N144N144-N146 PolarHBondContact O-N 2.83Å
147S34.8Very low44.5Very low109 Ų109137.2 Ų137.276%0.76271%0.709SS**  trans57.478.5155.5-1770000119.2
148L39.5Very low42.9Very low129 Ų129141.4 Ų141.468%0.67572%0.722SS**  trans-129.769.6150.4-95.7173000113R150L148-R150 VanDerWaalsContact C-N 3.31Å; L148-R150 HydrophobicContact CD2-CG 4.42Å; L148-R150 PolarHBondContact O-N 2.96Å
149K34.4Very low41.5Very low208 Ų208139.7 Ų139.790%0.90473%0.734SS**  trans-67.887.2160.2-78.7-179.4176.6173.80109.9
150R36.8Very low40.3Very low207 Ų207143 Ų14378%0.78175%0.751SS**  trans-118.378.5164.3-88.1-171.5171.4177.5-0.5111.3L148 F152L148-R150 VanDerWaalsContact C-N 3.31Å; L148-R150 HydrophobicContact CD2-CG 4.42Å; L148-R150 PolarHBondContact O-N 2.96Å; R150-F152 WeakPolarHBondContact O-CD1 3.33Å; R150-F152 PolarHBondContact O-N 2.91Å
151S33.3Very low39.4Very low118 Ų118146.1 Ų146.183%0.82577%0.77SS**  trans-70.7115.716043.90000109.8
152F35.3Very low38.6Very low173 Ų173150.1 Ų150.176%0.75978%0.781SS**  trans-109107.4167.547.6-89.1000110.2R150 L154R150-F152 WeakPolarHBondContact O-CD1 3.33Å; R150-F152 PolarHBondContact O-N 2.91Å; F152-L154 PolarHBondContact O-N 2.73Å
153T29.6Very low37.7Very low128 Ų128152.1 Ų152.179%0.78579%0.792SS**  trans-81.498.8169.527.70000109.8R155T153-R155 PolarHBondContact O-N 3.12Å
154L30.1Very low36.6Very low145 Ų145152 Ų15276%0.75979%0.792SS**  trans-74.4107.2166.5-87.2165.1000109.6F152F152-L154 PolarHBondContact O-N 2.73Å
155R31.9Very low36Very low233 Ų233152.6 Ų152.688%0.87980%0.801SS**PPolyproline II helixtrans-75.9119.1171.2-62.2179.4-177.2175.5-0.3108.6T153T153-R155 PolarHBondContact O-N 3.12Å
156Y32.2Very low35.5Very low226 Ų226155.5 Ų155.589%0.88681%0.806SS**PPolyproline II helixtrans-79.6124.5168.2-84.9-94.9000110.1
157S34.6Very low35.3Very low122 Ų122157.6 Ų157.685%0.85382%0.815SS**PPolyproline II helixtrans-89.4164161.954.20000110.7
158K37.1Very low35.3Very low210 Ų210163.7 Ų163.791%0.91382%0.822SS**  trans-130.8121.3-155.1172-164.4-179.1-169.80110.3
159A38.3Very low35.2Very low84 Ų84168.8 Ų168.869%0.69483%0.832SS**  trans-178.4103.6160.700000109.4
160T40.9Very low35.1Very low137 Ų137169.9 Ų169.984%0.8483%0.83SS**  66.997.2102.4590000116.4
161S41.4Very low35Very low118 Ų118164 Ų16483%0.82582%0.821SS**  trans-144.7119.8141.859.60000109.4L163S161-L163 PolarHBondContact O-N 3.29Å
162D38.7Very low35Very low158 Ų158166.7 Ų166.785%0.84582%0.821SS**  trans-77121.7-175.5-66.2-70.1000111.7
163L38.2Very low34.9Very low171 Ų171161.4 Ų161.490%0.89581%0.805SS**  trans-152.284.5163.2-109.5148.8000112.1S161S161-L163 PolarHBondContact O-N 3.29Å
164H30.7Very low35.2Very low161 Ų161162.6 Ų162.675%0.74580%0.804SS**  trans34.1121.1148.6-146.5-81.5000120.4Q166H164-Q166 PolarHBondContact O-N 2.84Å
165P32Very low35.3Very low113 Ų113161.5 Ų161.573%0.73480%0.799SS**  trans-88111.9-171.333.8-34.3000114
166Q34.6Very low35.3Very low179 Ų179153.3 Ų153.384%0.83678%0.777SS**  trans-15935.2165-128.7173.262.600119.4H164H164-Q166 PolarHBondContact O-N 2.84Å
167I37.3Very low35.3Very low180 Ų180150.1 Ų150.192%0.92377%0.773SS**  trans-122.2101.7168.5-55.6-177.5000111.1
168R34.4Very low35.4Very low237 Ų237152.4 Ų152.489%0.89476%0.764SS**  trans-127.593.2-172.7-172.3-174-166.3-172.76.4110.3
169R37.3Very low35.1Very low237 Ų237149.6 Ų149.689%0.89476%0.759SS**  trans174.7105.3145.7-97.1156.6-169.5-150.82.8115.1
170R31.8Very low35Very low230 Ų230152.4 Ų152.487%0.86876%0.762SS**  trans32.1101136.8-66.7-178.8173.3170.5-3.2119.4
171S34.7Very low34.9Very low85 Ų85154.2 Ų154.259%0.59476%0.758SS**  trans-116.1117.113840.20000108.1
172Q33.7Very low34.8Very low173 Ų173155.8 Ų155.881%0.80876%0.757SS**  trans-103.674.2177.9-80.1-176.8-3400110.5
173S34.3Very low35Very low63 Ų63157 Ų15744%0.44176%0.758SS.*  trans-8993.6159.852.80000108.1N175S173-N175 PolarHBondContact O-N 3.08Å
174M36Very low35.1Very low153 Ų153157.1 Ų157.175%0.75475%0.751SS**  trans-72.598.8177-84.7-79.8-7200110C176M174-C176 PolarHBondContact O-N 3.48Å; M174-C176 PolarHBondContact O-SG 3.01Å; M174-C176 VanDerWaalsContact O-SG 3.34Å
175N32Very low35.5Very low122 Ų122155 Ų15565%0.65275%0.753SS**  trans-62.286.7159.3-83.7-14.9000108.5S173 I177S173-N175 PolarHBondContact O-N 3.08Å; N175-I177 VanDerWaalsContact C-N 3.28Å; N175-I177 PolarHBondContact O-N 2.75Å
176C32.3Very low36Very low61 Ų61154.1 Ų154.141%0.41275%0.749SS.*  trans-73.781.8177.8-62.70000109.2M174 Y178M174-C176 PolarHBondContact O-N 3.48Å; M174-C176 PolarHBondContact O-SG 3.01Å; M174-C176 VanDerWaalsContact O-SG 3.34Å; C176-Y178 PolarHBondContact O-N 3.33Å; C176-Y178 VanDerWaalsContact O-N 3.13Å
177I31.5Very low36Very low158 Ų158152.9 Ų152.981%0.8175%0.749SS**  trans-60.2117.4165.7-60.2178.6000106.9N175 N179N175-I177 VanDerWaalsContact C-N 3.28Å; N175-I177 PolarHBondContact O-N 2.75Å; I177-N179 PolarHBondContact O-N 3.31Å; I177-N179 VanDerWaalsContact O-N 3.11Å
178Y36.5Very low35.7Very low171 Ų171149.6 Ų149.667%0.67174%0.741SS**  trans-64.1111.5-176.2-60.8-87.9000110.1C176 L180C176-Y178 PolarHBondContact O-N 3.33Å; C176-Y178 VanDerWaalsContact O-N 3.13Å; Y178-L180 PolarHBondContact O-N 3.19Å
179N31.1Very low35.8Very low150 Ų150149.7 Ų149.780%0.80274%0.742SS**  trans-9088.6169.4-137.5-18.5000107I177 K181I177-N179 PolarHBondContact O-N 3.31Å; I177-N179 VanDerWaalsContact O-N 3.11Å; N179-K181 PolarHBondContact O-N 2.9Å
180L35.6Very low35.7Very low143 Ų143145.3 Ų145.375%0.74974%0.742SS**  trans-65107.1175.1-76.683000108.4Y178Y178-L180 PolarHBondContact O-N 3.19Å
181K38.9Very low36.2Very low175 Ų175139 Ų13976%0.76173%0.729SS**  trans-111.7130.6153.6-68.7-171.5179-177.90106.7N179 E183N179-K181 PolarHBondContact O-N 2.9Å; K181-E183 PolarHBondContact O-N 3.48Å
182D38.9Very low36.6Very low152 Ų152141.3 Ų141.381%0.81373%0.734SS**  trans-70.477175-59-54.9000110.2K184D182-K184 PolarHBondContact O-N 3.48Å
183E43.7Very low37.1Very low183 Ų183141.5 Ų141.586%0.85574%0.735SS**  trans-67.290155.9-74.8-171.8168.600107.2K181 C185K181-E183 PolarHBondContact O-N 3.48Å; E183-C185 PolarHBondContact O-N 3.19Å; E183-C185 VanDerWaalsContact O-N 3.12Å
184K40.4Very low38Very low174 Ų174141.9 Ų141.976%0.75774%0.742SS**  trans-47.7121.3166.2-76.3-176.7173.1-176.80107.9D182 S186D182-K184 PolarHBondContact O-N 3.48Å; K184-S186 PolarHBondContact O-N 3.41Å; K184-S186 PolarHBondContact O-OG 3.02Å
185C38.3Very low38.8Very low117 Ų117139.9 Ų139.979%0.79173%0.731SS**  trans-66.479.1165.3-163.70000107.8E183 N187E183-C185 PolarHBondContact O-N 3.19Å; E183-C185 VanDerWaalsContact O-N 3.12Å; C185-N187 PolarHBondContact O-N 3.38Å
186S42.2Very low39.6Very low93 Ų93137.4 Ų137.465%0.6572%0.724SS**  trans-100.990.6-168.7350000109.7K184K184-S186 PolarHBondContact O-N 3.41Å; K184-S186 PolarHBondContact O-OG 3.02Å
187N34.3Very low40.5Very low154 Ų154141 Ų14182%0.82474%0.739SS**  trans38.798.2139.3-56.2-1.9000117.7C185C185-N187 PolarHBondContact O-N 3.38Å
188S31.7Very low41.5Very low110 Ų110136.9 Ų136.977%0.76972%0.715SS**  -174.867.412764.40000111.7
189W36.4Very low42.2Very low239 Ų239133.4 Ų133.491%0.90571%0.714SS**SBendtrans-124.3129.2163.2-69.271.2000106.8V191W189-V191 PolarHBondContact O-N 3.26Å
190T35.2Very low43.7Very low145 Ų145131.7 Ų131.789%0.8970%0.7SS**  trans-64.2106.4175.442.30000108.1D192T190-D192 PolarHBondContact O-N 3Å
191V43.2Very low45.5Very low98 Ų98132.3 Ų132.359%0.59470%0.704SS**  trans-71.6111.8-177.3178.40000108.5W189 E193 E195W189-V191 PolarHBondContact O-N 3.26Å; V191-E193 PolarHBondContact O-N 3.03Å; V191-E195 HydrophobicContact CG1-CB 4.4Å
192D42.3Very low47.5Very low134 Ų134129.7 Ų129.772%0.71769%0.694SS**  trans-58.1127.9156.7-80-36.6000107.4T190 A194 E195T190-D192 PolarHBondContact O-N 3Å; D192-A194 PolarHBondContact O-N 3.09Å; D192-E195 PolarHBondContact O-N 3.46Å
193E45.2Very low49.8Very low176 Ų176122.6 Ų122.682%0.82266%0.657SS**THydrogen-bonded Turntrans-57.4-10-172-61.7-172.6145.300114.4V191 E195 S196V191-E193 PolarHBondContact O-N 3.03Å; E193-E195 VanDerWaalsContact C-N 3.31Å; E193-E195 PolarHBondContact O-N 2.9Å; E193-S196 PolarHBondContact O-OG 3.27Å
194A53Low52Low72 Ų72115.4 Ų115.460%0.59562%0.622SS**THydrogen-bonded Turntrans-73.9-8.1173.200000115.3D192 F198D192-A194 PolarHBondContact O-N 3.09Å; A194-F198 WeakPolarHBondContact O-CE2 3.3Å
195E52.1Low54.5Low111 Ų111108 Ų10852%0.51960%0.595SS.*SBendtrans-106.4-16.5-178.7-63.8-134.6117.400115.3V191 D192 E193 D197 R289V191-E195 HydrophobicContact CG1-CB 4.4Å; D192-E195 PolarHBondContact O-N 3.46Å; E193-E195 VanDerWaalsContact C-N 3.31Å; E193-E195 PolarHBondContact O-N 2.9Å; E195-D197 VanDerWaalsContact C-N 3.35Å; E195-D197 PolarHBondContact O-N 3.09Å; E195-R289 IonicContact OE1-CZ 3.17Å; E195-R289 IonicContact OE1-NH1 2.73Å; E195-R289 PolarHBondContact OE1-NH1 3.03Å
196S48.1Very low57.1Low70 Ų70108.9 Ų108.949%0.4959%0.585SS.*G310 helixtrans-69.3-27.3-178.744.70000114.4E193 F198E193-S196 PolarHBondContact O-OG 3.27Å; S196-F198 PolarHBondContact O-N 3.33Å
197D51.3Low59.5Low136 Ų136107.2 Ų107.273%0.72757%0.569SS**G310 helixtrans-74.2-1.6-176.2-907.3000115.1E195E195-D197 VanDerWaalsContact C-N 3.35Å; E195-D197 PolarHBondContact O-N 3.09Å
198F53.9Low62.3Low71 Ų71103 Ų10331%0.31155%0.546SS..G310 helixtrans-103.25.5-172-69.8-75.2000115.6A194 S196 K200 Y204A194-F198 WeakPolarHBondContact O-CE2 3.3Å; S196-F198 PolarHBondContact O-N 3.33Å; F198-K200 PolarHBondContact O-N 3.38Å; F198-Y204 HydrophobicContact CD1-CE1 4.23Å; F198-Y204 AromaticContact CD1-CZ 3.74Å; F198-Y204 WeakPolarHBondContact CD1-OH 3.42Å
199C51.6Low65.2Low98 Ų9899.1 Ų99.166%0.66252%0.523SS*.  trans-74.663.2170-640000111.7
200K62.2Low67.9Low114 Ų11493.5 Ų93.550%0.49651%0.509SS..  trans-78.7138170.5-64.6-177.8178.3-177.70109.6F198 E202 Y204 P223F198-K200 PolarHBondContact O-N 3.38Å; K200-E202 PolarHBondContact O-N 3.15Å; K200-Y204 HydrophobicContact CB-CD1 4.5Å; K200-Y204 HydrophobicContact CD-CD1 4.01Å; K200-Y204 HydrophobicContact CD-CE1 4.45Å; K200-P223 WeakPolarHBondContact O-CA 3.16Å; K200-P223 WeakPolarHBondContact O-CB 3.28Å; K200-P223 WeakPolarHBondContact O-CD 3.49Å
201D72.7Confident70.5Confident157 Ų15788.1 Ų88.184%0.8448%0.479SS*.SBendtrans-57.6-16179.9-61.2-44.7000114.6
202E81.8Confident72.5Confident119 Ų11989.4 Ų89.456%0.55649%0.492SS*.SBendtrans-119.3149.3-179.9-61.2-170.8170.100112.4K200 Y204 N253K200-E202 PolarHBondContact O-N 3.15Å; E202-Y204 PolarHBondContact O-N 2.91Å; E202-N253 PolarHBondContact OE2-ND2 3.41Å
203V86.6Confident74.7Confident4 Ų487.2 Ų87.22%0.02448%0.481CS..  trans-63130.4166.9179.40000109G221 K222 V227 Y229 E251 N253 L254V203-G221 WeakPolarHBondContact CA-O 3.42Å; V203-G221 WeakPolarHBondContact CG1-O 3.34Å; V203-K222 HydrophobicContact CG2-CB 3.94Å; V203-V227 HydrophobicContact CG2-CG1 3.88Å; V203-Y229 HydrophobicContact CG1-CD1 3.97Å; V203-E251 HydrophobicContact CB-CG 4.18Å; V203-N253 WeakPolarHBondContact O-CB 3.25Å; V203-N253 PolarHBondContact O-ND2 3.07Å; V203-L254 HydrophobicContact CG1-CD1 4.2Å; V203-L254 HydrophobicContact CG1-CD2 4.13Å; V203-L254 HydrophobicContact CG1-CG 4.18Å
204Y90Very high76.8Confident31 Ų3186 Ų8612%0.12247%0.469CS..EExtended strand (participates in β ladder)trans-123.9156.4178.873.3-93.3000111.6F198 K200 E202 L220 G221F198-Y204 HydrophobicContact CD1-CE1 4.23Å; F198-Y204 AromaticContact CD1-CZ 3.74Å; F198-Y204 WeakPolarHBondContact CD1-OH 3.42Å; K200-Y204 HydrophobicContact CB-CD1 4.5Å; K200-Y204 HydrophobicContact CD-CD1 4.01Å; K200-Y204 HydrophobicContact CD-CE1 4.45Å; E202-Y204 PolarHBondContact O-N 2.91Å; Y204-L220 WeakPolarHBondContact O-CA 3.35Å; Y204-G221 VanDerWaalsContact CE1-CA 3.47Å; Y204-G221 PolarHBondContact N-O 2.84Å; Y204-G221 PolarHBondContact O-N 3.47Å
205G91.8Very high78.7Confident18 Ų1882.8 Ų82.819%0.18644%0.442CS..EExtended strand (participates in β ladder)trans-140.1141.4171.900000110.9E219G205-E219 CarbonylContact C-O 3.56Å; G205-E219 WeakPolarHBondContact CA-O 3.34Å
206K93Very high80.8Confident136 Ų13680.3 Ų80.359%0.59143%0.428SS*.EExtended strand (participates in β ladder)trans-139.6132.4178.7-178.1179.7177.2-176.10110.2I208 I218 E219K206-I208 HydrophobicContact CD-CG2 4.46Å; K206-I208 HydrophobicContact CG-CG2 4.39Å; K206-I208 PolarHBondContact O-N 3.19Å; K206-I218 CarbonylContact O-C 3.5Å; K206-I218 WeakPolarHBondContact O-CA 2.95Å; K206-E219 PolarHBondContact N-O 2.85Å; K206-E219 PolarHBondContact O-N 2.95Å
207I93.4Very high83Confident59 Ų5980.2 Ų80.230%0.30342%0.421SS..EExtended strand (participates in β ladder)trans-72.3115.6166.4-63.7162.2000107.4G209 I210 I218 V257I207-G209 WeakPolarHBondContact CG2-O 3.21Å; I207-I210 HydrophobicContact CG2-CG1 3.97Å; I207-I218 HydrophobicContact CG1-CG1 4.19Å; I207-V257 HydrophobicContact CD1-CG1 4.4Å; I207-V257 HydrophobicContact CG1-CB 4.2Å; I207-V257 HydrophobicContact CG1-CG1 3.94Å
208I93.4Very high85.1Confident66 Ų6673.7 Ų73.734%0.33839%0.386SS..EExtended strand (participates in β ladder)trans-96.9-13.6178.457164.6000112.7K206 L217 E219 R291K206-I208 HydrophobicContact CD-CG2 4.46Å; K206-I208 HydrophobicContact CG-CG2 4.39Å; K206-I208 PolarHBondContact O-N 3.19Å; I208-L217 HydrophobicContact CD1-CD2 3.61Å; I208-L217 HydrophobicContact CD1-CG 3.75Å; I208-L217 HydrophobicContact CG1-CB 4.07Å; I208-L217 HydrophobicContact CG1-CD2 3.88Å; I208-L217 HydrophobicContact CG1-CG 3.73Å; I208-L217 VanDerWaalsContact CG1-O 3.31Å; I208-L217 WeakPolarHBondContact CG1-O 3.42Å; I208-L217 PolarHBondContact N-O 2.96Å; I208-E219 HydrophobicContact CD1-CB 4.21Å; I208-E219 HydrophobicContact CG1-CB 4.39Å; I208-E219 HydrophobicContact CG2-CB 3.72Å; I208-R291 HydrophobicContact CD1-CG 4.33Å
209G91.4Very high87Confident28 Ų2871.1 Ų71.129%0.28938%0.375SS..EExtended strand (participates in β ladder)trans-170161.917200000113.2I207 L217I207-G209 WeakPolarHBondContact CG2-O 3.21Å; G209-L217 PolarHBondContact N-O 3.39Å; G209-L217 PolarHBondContact O-N 3.09Å
210I92.7Very high89Confident120 Ų12066.5 Ų66.562%0.61534%0.344SS*.EExtended strand (participates in β ladder)trans-129.6123.6171.4-54.6179.2000106.7I207 T215 R216I207-I210 HydrophobicContact CG2-CG1 3.97Å; I210-T215 WeakPolarHBondContact CA-O 3.28Å; I210-R216 HydrophobicContact CG1-CG 4.48Å
211A89.9Confident90.3Very high32 Ų3261.1 Ų61.126%0.26432%0.321SS..  trans-85.9165178.400000111.7D213 R214 T215A211-D213 VanDerWaalsContact CB-OD1 3.31Å; A211-D213 WeakPolarHBondContact CB-OD1 3.44Å; A211-D213 PolarHBondContact O-N 2.95Å; A211-R214 WeakPolarHBondContact O-CA 3.47Å; A211-R214 PolarHBondContact O-N 3.15Å; A211-T215 PolarHBondContact N-O 3.43Å
212S86.4Confident91.1Very high125 Ų12553.9 Ų53.987%0.87428%0.282SS*.THydrogen-bonded Turntrans-62.1-24.2-179.148.90000113.9R214S212-R214 PolarHBondContact O-N 3.07Å
213D88.8Confident90.9Very high88 Ų8849.1 Ų49.147%0.47126%0.261SS..THydrogen-bonded Turntrans-829.9173.770.3-9.3000113.7A211 T215A211-D213 VanDerWaalsContact CB-OD1 3.31Å; A211-D213 WeakPolarHBondContact CB-OD1 3.44Å; A211-D213 PolarHBondContact O-N 2.95Å; D213-T215 PolarHBondContact O-N 2.94Å; D213-T215 VanDerWaalsContact OD1-CB 3.28Å; D213-T215 WeakPolarHBondContact OD1-CB 3.5Å; D213-T215 WeakPolarHBondContact OD1-CG2 3.46Å; D213-T215 PolarHBondContact OD1-N 3.33Å; D213-T215 PolarHBondContact OD1-OG1 3.14Å; D213-T215 WeakPolarHBondContact OD2-CG2 3.47Å; D213-T215 PolarHBondContact OD2-OG1 3.16Å
214R89.2Confident90.4Very high152 Ų15253.6 Ų53.657%0.57429%0.285SS*.SBendtrans66.47.5-174.3-51.4173.2173.6-171-14.8114.7A211 S212 P296 G299A211-R214 WeakPolarHBondContact O-CA 3.47Å; A211-R214 PolarHBondContact O-N 3.15Å; S212-R214 PolarHBondContact O-N 3.07Å; R214-P296 WeakPolarHBondContact O-CD 3.47Å; R214-G299 VanDerWaalsContact CZ-OXT 3.28Å; R214-G299 PolarHBondContact NH1-O 2.97Å; R214-G299 PolarHBondContact NH1-OXT 3.44Å
215T93.1Very high89.6Confident4 Ų453.5 Ų53.53%0.02529%0.294CS..PPolyproline II helixtrans-68.3139170.862.10000110.4I210 A211 D213 L265 V294 L295I210-T215 WeakPolarHBondContact CA-O 3.28Å; A211-T215 PolarHBondContact N-O 3.43Å; D213-T215 PolarHBondContact O-N 2.94Å; D213-T215 VanDerWaalsContact OD1-CB 3.28Å; D213-T215 WeakPolarHBondContact OD1-CB 3.5Å; D213-T215 WeakPolarHBondContact OD1-CG2 3.46Å; D213-T215 PolarHBondContact OD1-N 3.33Å; D213-T215 PolarHBondContact OD1-OG1 3.14Å; D213-T215 WeakPolarHBondContact OD2-CG2 3.47Å; D213-T215 PolarHBondContact OD2-OG1 3.16Å; T215-L265 HydrophobicContact CG2-CD1 3.54Å; T215-V294 CarbonylContact C-O 3.55Å; T215-V294 VanDerWaalsContact CA-O 3.3Å; T215-V294 WeakPolarHBondContact CA-O 3.44Å; T215-L295 HydrophobicContact CG2-CB 4.13Å; T215-L295 HydrophobicContact CG2-CD1 3.87Å
216R94.5Very high88.8Confident59 Ų5957.7 Ų57.722%0.22332%0.32CS..EExtended strand (participates in β ladder)trans-99.3131.4176.6-59.2-177.8-173.6167.14.9108.4I210 I218 K293 V294 P296I210-R216 HydrophobicContact CG1-CG 4.48Å; R216-I218 HydrophobicContact CB-CD1 4.31Å; R216-I218 HydrophobicContact CB-CG1 4.09Å; R216-K293 WeakPolarHBondContact O-CA 3.28Å; R216-V294 PolarHBondContact N-O 3Å; R216-V294 PolarHBondContact O-N 2.7Å; R216-P296 HydrophobicContact CG-CG 3.87Å
217L94.8Very high88.3Confident67 Ų6753.4 Ų53.435%0.35131%0.305SS..EExtended strand (participates in β ladder)trans-93.9117.6166.2-168.968.4000107.3I208 G209 K293I208-L217 HydrophobicContact CD1-CD2 3.61Å; I208-L217 HydrophobicContact CD1-CG 3.75Å; I208-L217 HydrophobicContact CG1-CB 4.07Å; I208-L217 HydrophobicContact CG1-CD2 3.88Å; I208-L217 HydrophobicContact CG1-CG 3.73Å; I208-L217 VanDerWaalsContact CG1-O 3.31Å; I208-L217 WeakPolarHBondContact CG1-O 3.42Å; I208-L217 PolarHBondContact N-O 2.96Å; G209-L217 PolarHBondContact N-O 3.39Å; G209-L217 PolarHBondContact O-N 3.09Å; L217-K293 HydrophobicContact CD1-CB 4.15Å
218I95.3Very high88Confident0 Ų054.3 Ų54.30%032%0.315CS..EExtended strand (participates in β ladder)trans-118.4127.6-172.7-57.9170.6000107.9K206 I207 R216 L220 V257 L258 R291 L292 V294K206-I218 CarbonylContact O-C 3.5Å; K206-I218 WeakPolarHBondContact O-CA 2.95Å; I207-I218 HydrophobicContact CG1-CG1 4.19Å; R216-I218 HydrophobicContact CB-CD1 4.31Å; R216-I218 HydrophobicContact CB-CG1 4.09Å; I218-L220 HydrophobicContact CG2-CD2 3.62Å; I218-L220 HydrophobicContact CG2-CG 4.22Å; I218-V257 HydrophobicContact CD1-CB 4.43Å; I218-V257 VanDerWaalsContact CD1-O 3.26Å; I218-V257 WeakPolarHBondContact CD1-O 2.98Å; I218-V257 HydrophobicContact CG2-CB 4.02Å; I218-V257 HydrophobicContact CG2-CG2 3.9Å; I218-L258 HydrophobicContact CD1-CD2 3.59Å; I218-L258 HydrophobicContact CD1-CG 4.11Å; I218-R291 CarbonylContact O-C 3.56Å; I218-R291 WeakPolarHBondContact O-CA 3.35Å; I218-L292 PolarHBondContact N-O 3.37Å; I218-L292 PolarHBondContact O-N 2.85Å; I218-V294 HydrophobicContact CD1-CB 4.11Å; I218-V294 HydrophobicContact CD1-CG2 3.99Å
219E93.9Very high87.8Confident17 Ų1751.4 Ų51.48%0.07930%0.3CS..EExtended strand (participates in β ladder)trans-96.5130.5168.8-170.6174.7129.900109.2G205 K206 I208 R289 R291G205-E219 CarbonylContact C-O 3.56Å; G205-E219 WeakPolarHBondContact CA-O 3.34Å; K206-E219 PolarHBondContact N-O 2.85Å; K206-E219 PolarHBondContact O-N 2.95Å; I208-E219 HydrophobicContact CD1-CB 4.21Å; I208-E219 HydrophobicContact CG1-CB 4.39Å; I208-E219 HydrophobicContact CG2-CB 3.72Å; E219-R289 HydrophobicContact CG-CG 4.48Å; E219-R289 IonicContact OE1-CZ 3.98Å; E219-R289 VanDerWaalsContact OE1-CZ 3.26Å; E219-R289 IonicContact OE1-NE 2.78Å; E219-R289 PolarHBondContact OE1-NE 3.28Å; E219-R289 IonicContact OE1-NH2 2.93Å; E219-R289 PolarHBondContact OE1-NH2 3.46Å; E219-R289 IonicContact OE2-NE 3.48Å; E219-R289 IonicContact OE2-NH2 3.26Å; E219-R289 PolarHBondContact OE2-NH2 3.45Å; E219-R291 HydrophobicContact CG-CG 4.35Å; E219-R291 IonicContact OE2-NE 2.86Å; E219-R291 IonicContact OE2-NH2 3.95Å
220L93.2Very high87.8Confident0 Ų050.7 Ų50.70%029%0.292CS..EExtended strand (participates in β ladder)trans-119.1140.4175.3-54.2-177.9000109.7Y204 I218 Y229 F231 L254 V257 L258 R289 I290 L292Y204-L220 WeakPolarHBondContact O-CA 3.35Å; I218-L220 HydrophobicContact CG2-CD2 3.62Å; I218-L220 HydrophobicContact CG2-CG 4.22Å; L220-Y229 HydrophobicContact CB-CD1 3.92Å; L220-Y229 HydrophobicContact CB-CE1 3.7Å; L220-Y229 HydrophobicContact CD1-CD1 4.39Å; L220-F231 HydrophobicContact CD1-CE1 3.67Å; L220-F231 HydrophobicContact CD1-CZ 4.2Å; L220-L254 HydrophobicContact CD2-CD1 4.47Å; L220-L254 HydrophobicContact CD2-CD2 3.68Å; L220-V257 HydrophobicContact CD2-CG2 4.25Å; L220-L258 HydrophobicContact CD1-CD1 4.06Å; L220-L258 HydrophobicContact CD2-CD1 4.36Å; L220-R289 WeakPolarHBondContact O-CA 3.33Å; L220-I290 HydrophobicContact CB-CD1 4.43Å; L220-I290 HydrophobicContact CB-CG1 3.84Å; L220-I290 HydrophobicContact CD1-CD1 4.1Å; L220-I290 HydrophobicContact CD1-CG1 4.29Å; L220-I290 HydrophobicContact CG-CG1 4.39Å; L220-I290 PolarHBondContact N-O 2.93Å; L220-I290 PolarHBondContact O-N 2.63Å; L220-L292 HydrophobicContact CD1-CD1 3.59Å; L220-L292 HydrophobicContact CD1-CG 4.23Å; L220-L292 HydrophobicContact CG-CD1 4.44Å
221G91.1Very high87.8Confident1 Ų145.6 Ų45.61%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-136.8155.7171.600000112V203 Y204 C288V203-G221 WeakPolarHBondContact CA-O 3.42Å; V203-G221 WeakPolarHBondContact CG1-O 3.34Å; Y204-G221 VanDerWaalsContact CE1-CA 3.47Å; Y204-G221 PolarHBondContact N-O 2.84Å; Y204-G221 PolarHBondContact O-N 3.47Å; G221-C288 WeakPolarHBondContact CA-O 3.34Å
222K88.6Confident87.9Confident5 Ų547.1 Ų47.12%0.02227%0.269CS..  trans-137.1148.6178.354.6169.4179.2177.90110.1V203 N224 G225 V227 Y229 L284 R285 S287 C288V203-K222 HydrophobicContact CG2-CB 3.94Å; K222-N224 WeakPolarHBondContact CD-O 3.35Å; K222-N224 PolarHBondContact O-N 3.13Å; K222-G225 PolarHBondContact NZ-O 2.78Å; K222-V227 WeakPolarHBondContact CD-O 3.36Å; K222-V227 PolarHBondContact NZ-O 2.9Å; K222-Y229 HydrophobicContact CB-CD1 4.31Å; K222-Y229 HydrophobicContact CB-CE1 4.09Å; K222-Y229 HydrophobicContact CD-CD2 4.29Å; K222-Y229 HydrophobicContact CD-CE1 4.32Å; K222-Y229 HydrophobicContact CD-CE2 3.99Å; K222-Y229 HydrophobicContact CG-CD1 4.43Å; K222-Y229 HydrophobicContact CG-CE1 3.88Å; K222-Y229 HydrophobicContact CG-CE2 4.34Å; K222-L284 PolarHBondContact NZ-O 3.22Å; K222-R285 PolarHBondContact NZ-O 2.84Å; K222-S287 WeakPolarHBondContact CE-O 3.48Å; K222-C288 WeakPolarHBondContact CG-O 3.39Å; K222-C288 PolarHBondContact N-O 2.82Å
223P77Confident88.1Confident19 Ų1941.3 Ų41.312%0.12323%0.228CC..SBendtrans-53.8-53-178.813.7-28.7000112.7K200 V227K200-P223 WeakPolarHBondContact O-CA 3.16Å; K200-P223 WeakPolarHBondContact O-CB 3.28Å; K200-P223 WeakPolarHBondContact O-CD 3.49Å; P223-V227 HydrophobicContact CG-CB 4.45Å; P223-V227 HydrophobicContact CG-CG2 4.18Å
224N76Confident88.2Confident98 Ų9838.4 Ų38.452%0.52422%0.216SC..SBendtrans-132.7147.1-170.3-67.1-35.4000109.9K222 S226 V227K222-N224 WeakPolarHBondContact CD-O 3.35Å; K222-N224 PolarHBondContact O-N 3.13Å; N224-S226 PolarHBondContact O-N 3.2Å; N224-S226 VanDerWaalsContact O-N 3.08Å; N224-V227 HydrophobicContact CB-CG2 4.36Å; N224-V227 PolarHBondContact O-N 2.94Å
225G73.1Confident88.2Confident30 Ų3035.9 Ų35.931%0.30921%0.213SC..THydrogen-bonded Turntrans-53.8-30.817600000113.9K222 V227K222-G225 PolarHBondContact NZ-O 2.78Å; G225-V227 PolarHBondContact O-N 2.78Å
226S75.7Confident87.9Confident106 Ų10637.3 Ų37.374%0.74123%0.226SC*.THydrogen-bonded Turntrans-68.2-26.4177.753.90000114.8N224N224-S226 PolarHBondContact O-N 3.2Å; N224-S226 VanDerWaalsContact O-N 3.08Å
227V82.1Confident87.5Confident45 Ų4538.5 Ų38.527%0.27324%0.24SC..SBendtrans-78.7132.1-178.7177.80000109.4V203 K222 P223 N224 G225V203-V227 HydrophobicContact CG2-CG1 3.88Å; K222-V227 WeakPolarHBondContact CD-O 3.36Å; K222-V227 PolarHBondContact NZ-O 2.9Å; P223-V227 HydrophobicContact CG-CB 4.45Å; P223-V227 HydrophobicContact CG-CG2 4.18Å; N224-V227 HydrophobicContact CB-CG2 4.36Å; N224-V227 PolarHBondContact O-N 2.94Å; G225-V227 PolarHBondContact O-N 2.78Å
228P87Confident86.7Confident79 Ų7937.6 Ų37.651%0.51324%0.239SC..  trans-74.5146.2171.230.8-33.9000110.1G230P228-G230 PolarHBondContact O-N 3.39Å
229Y89.9Confident86Confident5 Ų543 Ų432%0.0228%0.276CS..  trans-60.5-8.9172.9-74-79.6000114.4V203 L220 K222 F231 L254 L284 S287 C288 R289 I290V203-Y229 HydrophobicContact CG1-CD1 3.97Å; L220-Y229 HydrophobicContact CB-CD1 3.92Å; L220-Y229 HydrophobicContact CB-CE1 3.7Å; L220-Y229 HydrophobicContact CD1-CD1 4.39Å; K222-Y229 HydrophobicContact CB-CD1 4.31Å; K222-Y229 HydrophobicContact CB-CE1 4.09Å; K222-Y229 HydrophobicContact CD-CD2 4.29Å; K222-Y229 HydrophobicContact CD-CE1 4.32Å; K222-Y229 HydrophobicContact CD-CE2 3.99Å; K222-Y229 HydrophobicContact CG-CD1 4.43Å; K222-Y229 HydrophobicContact CG-CE1 3.88Å; K222-Y229 HydrophobicContact CG-CE2 4.34Å; Y229-F231 HydrophobicContact CG-CE1 4.17Å; Y229-L254 WeakPolarHBondContact O-CD1 3.49Å; Y229-L284 HydrophobicContact CD2-CB 4.32Å; Y229-L284 HydrophobicContact CD2-CD2 4.11Å; Y229-L284 HydrophobicContact CE2-CD2 4.28Å; Y229-L284 WeakPolarHBondContact CE2-O 3.5Å; Y229-S287 PolarHBondContact OH-O 2.86Å; Y229-S287 VanDerWaalsContact OH-O 3.07Å; Y229-C288 PolarHBondContact OH-O 3.05Å; Y229-R289 PolarHBondContact OH-N 3.24Å; Y229-I290 HydrophobicContact CD2-CD1 4.12Å; Y229-I290 HydrophobicContact CE1-CD1 4.32Å; Y229-I290 HydrophobicContact CE1-CG1 4.25Å; Y229-I290 HydrophobicContact CE2-CD1 3.66Å; Y229-I290 HydrophobicContact CE2-CG1 4.21Å
230G90.5Very high85.3Confident12 Ų1245.7 Ų45.712%0.12431%0.308CS..SBendtrans73.132.217500000114.7P228 F250 E251P228-G230 PolarHBondContact O-N 3.39Å; G230-F250 WeakPolarHBondContact O-CA 3.49Å; G230-F250 WeakPolarHBondContact O-CB 3.01Å; G230-F250 PolarHBondContact O-N 3.27Å; G230-E251 PolarHBondContact O-N 2.81Å; G230-E251 VanDerWaalsContact O-N 3.13Å
231F93.3Very high84.8Confident13 Ų1352.9 Ų52.96%0.05734%0.34CS..EExtended strand (participates in β ladder)trans-136.2155.6164.469.9-85.6000110.7L220 Y229 V233 N248 V249 L254 L258 I264 F280 L284 L292L220-F231 HydrophobicContact CD1-CE1 3.67Å; L220-F231 HydrophobicContact CD1-CZ 4.2Å; Y229-F231 HydrophobicContact CG-CE1 4.17Å; F231-V233 HydrophobicContact CD2-CG1 3.91Å; F231-V233 HydrophobicContact CE2-CG1 3.7Å; F231-N248 CarbonylContact C-O 3.56Å; F231-N248 WeakPolarHBondContact CA-O 3.31Å; F231-N248 WeakPolarHBondContact CB-O 3.29Å; F231-V249 HydrophobicContact CB-CG2 4.23Å; F231-L254 HydrophobicContact CD1-CD1 3.76Å; F231-L254 HydrophobicContact CE1-CD1 4.42Å; F231-L258 HydrophobicContact CD1-CD1 4.33Å; F231-L258 HydrophobicContact CE1-CD1 4.46Å; F231-L258 HydrophobicContact CG-CD1 4.48Å; F231-I264 HydrophobicContact CE2-CD1 4.29Å; F231-F280 HydrophobicContact CE2-CE1 4.43Å; F231-F280 HydrophobicContact CE2-CZ 4.4Å; F231-L284 HydrophobicContact CE2-CD1 4.21Å; F231-L284 HydrophobicContact CZ-CD1 3.86Å; F231-L284 HydrophobicContact CZ-CD2 4.06Å; F231-L292 HydrophobicContact CZ-CD1 4.01Å
232I91.9Very high84.6Confident64 Ų6459.6 Ų59.633%0.32837%0.368SS..EExtended strand (participates in β ladder)trans-116.7145.2175.1-73.1172.8000109.3E247 N248 F250I232-E247 HydrophobicContact CG2-CB 4.14Å; I232-E247 WeakPolarHBondContact CG2-OE2 3.32Å; I232-E247 PolarHBondContact O-N 2.83Å; I232-N248 PolarHBondContact N-O 3.05Å; I232-N248 PolarHBondContact O-N 3.38Å; I232-F250 HydrophobicContact CB-CE2 4.19Å; I232-F250 HydrophobicContact CD1-CE2 3.56Å; I232-F250 HydrophobicContact CD1-CZ 3.74Å; I232-F250 HydrophobicContact CG1-CE2 3.7Å; I232-F250 HydrophobicContact CG1-CZ 4.38Å
233V92.3Very high84.6Confident4 Ų460 Ų602%0.02438%0.375CS..EExtended strand (participates in β ladder)trans-118.4138.9175.9-670000111.4F231 L244 Y245 I264 I277 F280 Y281F231-V233 HydrophobicContact CD2-CG1 3.91Å; F231-V233 HydrophobicContact CE2-CG1 3.7Å; V233-L244 HydrophobicContact CB-CD1 3.79Å; V233-L244 HydrophobicContact CB-CD2 4.17Å; V233-L244 HydrophobicContact CB-CG 3.84Å; V233-L244 HydrophobicContact CG1-CD2 4.33Å; V233-L244 HydrophobicContact CG1-CG 4.29Å; V233-L244 HydrophobicContact CG2-CD1 3.81Å; V233-L244 HydrophobicContact CG2-CD2 4.09Å; V233-L244 HydrophobicContact CG2-CG 4.15Å; V233-Y245 CarbonylContact C-O 3.52Å; V233-Y245 VanDerWaalsContact CA-O 3.28Å; V233-Y245 WeakPolarHBondContact CA-O 3.18Å; V233-I264 HydrophobicContact CG1-CD1 3.55Å; V233-I277 HydrophobicContact CG2-CD1 4.44Å; V233-F280 HydrophobicContact CB-CE1 4.3Å; V233-F280 HydrophobicContact CG1-CE1 3.85Å; V233-F280 HydrophobicContact CG1-CZ 4.29Å; V233-F280 HydrophobicContact CG2-CD1 3.7Å; V233-F280 HydrophobicContact CG2-CE1 3.54Å; V233-Y281 HydrophobicContact CG2-CE1 4.15Å; V233-Y281 HydrophobicContact CG2-CE2 3.89Å; V233-Y281 WeakPolarHBondContact CG2-OH 3.27Å; V233-Y281 PolarHBondContact N-OH 2.85Å; V233-Y281 VanDerWaalsContact N-OH 3.16Å; V233-Y281 PolarHBondContact O-OH 2.82Å; V233-Y281 VanDerWaalsContact O-OH 3.09Å
234A89.9Confident85.3Confident27 Ų2759.6 Ų59.622%0.22337%0.371CS..EExtended strand (participates in β ladder)trans-114.6143.6174.200000110.8A236 Y245 E247A234-A236 PolarHBondContact O-N 3.19Å; A234-Y245 PolarHBondContact N-O 3.41Å; A234-Y245 PolarHBondContact O-N 3.02Å; A234-E247 HydrophobicContact CB-CB 3.94Å; A234-E247 HydrophobicContact CB-CG 4.38Å
235L89.9Confident86.1Confident98 Ų9856.3 Ų56.351%0.51335%0.352SS..EExtended strand (participates in β ladder)trans-85.5105.2169.7-176127.7000108.9K242 I277L235-K242 HydrophobicContact CD2-CD 4.43Å; L235-I277 HydrophobicContact CB-CD1 4.37Å
236A86.5Confident87Confident34 Ų3455 Ų5528%0.28134%0.338SS..EExtended strand (participates in β ladder)trans-124.7170-175.700000111.8A234 K242 G243 Y245A234-A236 PolarHBondContact O-N 3.19Å; A236-K242 CarbonylContact O-C 3.55Å; A236-K242 WeakPolarHBondContact O-CA 3.42Å; A236-G243 PolarHBondContact N-O 2.85Å; A236-G243 PolarHBondContact O-N 3.19Å; A236-Y245 HydrophobicContact CB-CD2 3.72Å; A236-Y245 HydrophobicContact CB-CE2 4.21Å; A236-Y245 HydrophobicContact CB-CG 4.41Å
237T85.1Confident87.8Confident85 Ų8554.4 Ų54.452%0.52132%0.323SS..EExtended strand (participates in β ladder)trans-123.4111.5173.7-58.40000108.6
238C77.9Confident88.2Confident48 Ų4855.5 Ų55.532%0.32433%0.327SS..EExtended strand (participates in β ladder)trans-116134.5176.5-169.70000109.2G240 K241 Y245C238-G240 VanDerWaalsContact C-N 3.26Å; C238-G240 PolarHBondContact O-N 2.94Å; C238-K241 PolarHBondContact N-O 2.99Å; C238-K241 VanDerWaalsContact N-O 3.16Å; C238-K241 PolarHBondContact O-N 3.28Å; C238-Y245 HydrophobicContact CB-CE1 4.05Å; C238-Y245 WeakPolarHBondContact CB-OH 3.49Å
239S81Confident88.4Confident113 Ų11353.1 Ų53.179%0.7931%0.311SS*.THydrogen-bonded Turntrans48.544.6-176.4-550000113.7K241S239-K241 PolarHBondContact O-N 2.93Å; S239-K241 VanDerWaalsContact O-N 3.1Å
240G80.2Confident88.3Confident73 Ų7358 Ų5875%0.75333%0.333SS*.THydrogen-bonded Turntrans72.3-7.3-177.700000115.6C238C238-G240 VanDerWaalsContact C-N 3.26Å; C238-G240 PolarHBondContact O-N 2.94Å
241K82.9Confident88.2Confident152 Ų15258.8 Ų58.866%0.66133%0.333SS*.EExtended strand (participates in β ladder)trans-100.9112.8-177.8-64.6179.5-177.3177.50110.4C238 S239 Y245C238-K241 PolarHBondContact N-O 2.99Å; C238-K241 VanDerWaalsContact N-O 3.16Å; C238-K241 PolarHBondContact O-N 3.28Å; S239-K241 PolarHBondContact O-N 2.93Å; S239-K241 VanDerWaalsContact O-N 3.1Å; K241-Y245 PolarHBondContact O-OH 2.92Å
242K86.5Confident87.8Confident141 Ų14164.5 Ų64.561%0.61336%0.358SS*.EExtended strand (participates in β ladder)trans-58.4150.1168.2-179.7169.4161.6169.40110.4L235 A236 K263L235-K242 HydrophobicContact CD2-CD 4.43Å; A236-K242 CarbonylContact O-C 3.55Å; A236-K242 WeakPolarHBondContact O-CA 3.42Å; K242-K263 PolarHBondContact O-NZ 3.2Å
243G88.8Confident87.6Confident15 Ų1564.3 Ų64.316%0.15536%0.358CS..EExtended strand (participates in β ladder)trans-176.9174.917800000112.8A236 Y245A236-G243 PolarHBondContact N-O 2.85Å; A236-G243 PolarHBondContact O-N 3.19Å; G243-Y245 WeakPolarHBondContact O-CD2 3.5Å
244L91.8Very high87.4Confident9 Ų964.1 Ų64.15%0.04736%0.357CS..EExtended strand (participates in β ladder)trans-97126.8170.2-166.569.9000108.2V233 I264 V272 I277 F280V233-L244 HydrophobicContact CB-CD1 3.79Å; V233-L244 HydrophobicContact CB-CD2 4.17Å; V233-L244 HydrophobicContact CB-CG 3.84Å; V233-L244 HydrophobicContact CG1-CD2 4.33Å; V233-L244 HydrophobicContact CG1-CG 4.29Å; V233-L244 HydrophobicContact CG2-CD1 3.81Å; V233-L244 HydrophobicContact CG2-CD2 4.09Å; V233-L244 HydrophobicContact CG2-CG 4.15Å; L244-I264 HydrophobicContact CB-CB 4.47Å; L244-I264 HydrophobicContact CD2-CB 4.4Å; L244-I264 HydrophobicContact CD2-CD1 4.22Å; L244-I264 PolarHBondContact O-N 2.92Å; L244-V272 HydrophobicContact CB-CG1 3.89Å; L244-V272 HydrophobicContact CD2-CG1 3.68Å; L244-V272 HydrophobicContact CG-CG1 4.41Å; L244-I277 HydrophobicContact CD1-CD1 3.86Å; L244-I277 HydrophobicContact CD1-CG1 3.98Å; L244-F280 HydrophobicContact CD2-CB 4.4Å; L244-F280 HydrophobicContact CD2-CD1 3.7Å; L244-F280 HydrophobicContact CD2-CD2 3.65Å; L244-F280 HydrophobicContact CD2-CE1 3.77Å; L244-F280 HydrophobicContact CD2-CE2 3.74Å; L244-F280 HydrophobicContact CD2-CG 3.63Å; L244-F280 HydrophobicContact CD2-CZ 3.8Å
245Y91.9Very high87.2Confident30 Ų3065.4 Ų65.412%0.11837%0.368CS..EExtended strand (participates in β ladder)trans-126.2143.4-175.2-65.8-96.7000109.7V233 A234 A236 C238 K241 G243 E247 D262 K263V233-Y245 CarbonylContact C-O 3.52Å; V233-Y245 VanDerWaalsContact CA-O 3.28Å; V233-Y245 WeakPolarHBondContact CA-O 3.18Å; A234-Y245 PolarHBondContact N-O 3.41Å; A234-Y245 PolarHBondContact O-N 3.02Å; A236-Y245 HydrophobicContact CB-CD2 3.72Å; A236-Y245 HydrophobicContact CB-CE2 4.21Å; A236-Y245 HydrophobicContact CB-CG 4.41Å; C238-Y245 HydrophobicContact CB-CE1 4.05Å; C238-Y245 WeakPolarHBondContact CB-OH 3.49Å; K241-Y245 PolarHBondContact O-OH 2.92Å; G243-Y245 WeakPolarHBondContact O-CD2 3.5Å; Y245-E247 PolarHBondContact O-N 3.05Å; Y245-D262 CarbonylContact C-O 3.57Å; Y245-D262 WeakPolarHBondContact CA-O 3.49Å; Y245-K263 HydrophobicContact CD1-CB 3.86Å; Y245-K263 HydrophobicContact CD1-CG 4.19Å; Y245-K263 HydrophobicContact CE1-CB 3.67Å; Y245-K263 HydrophobicContact CE1-CD 3.92Å; Y245-K263 HydrophobicContact CE1-CG 3.8Å; Y245-K263 HydrophobicContact CE2-CG 4.48Å; Y245-K263 PolarHBondContact OH-NZ 3.24Å
246V92.8Very high87Confident2 Ų265.6 Ų65.61%0.01237%0.373CS..EExtended strand (participates in β ladder)trans-68.3113.8173.4179.40000108.4V249 L258 N259 G261 D262 I264V246-V249 HydrophobicContact CG1-CG2 3.56Å; V246-L258 HydrophobicContact CG2-CD2 4.41Å; V246-N259 WeakPolarHBondContact CB-O 3.41Å; V246-G261 PolarHBondContact O-N 3.31Å; V246-D262 HydrophobicContact CG2-CB 4.2Å; V246-D262 PolarHBondContact N-O 3.42Å; V246-I264 HydrophobicContact CG2-CD1 4.31Å; V246-I264 HydrophobicContact CG2-CG1 4.29Å
247E90.7Very high87.3Confident94 Ų9464.3 Ų64.344%0.43936%0.361SS..EExtended strand (participates in β ladder)trans-84.1-41.4-178.9179.7171.1-156.600111.6I232 A234 Y245 R260I232-E247 HydrophobicContact CG2-CB 4.14Å; I232-E247 WeakPolarHBondContact CG2-OE2 3.32Å; I232-E247 PolarHBondContact O-N 2.83Å; A234-E247 HydrophobicContact CB-CB 3.94Å; A234-E247 HydrophobicContact CB-CG 4.38Å; Y245-E247 PolarHBondContact O-N 3.05Å; E247-R260 VanDerWaalsContact O-CD 3.29Å; E247-R260 WeakPolarHBondContact O-CD 3.36Å; E247-R260 VanDerWaalsContact O-CG 3.31Å; E247-R260 WeakPolarHBondContact O-CG 3.41Å; E247-R260 PolarHBondContact O-NE 2.9Å
248N91.3Very high87.7Confident67 Ų6760.3 Ų60.336%0.35834%0.337SS..EExtended strand (participates in β ladder)trans-155.1153.3176.8-159.514000111.6F231 I232 F250F231-N248 CarbonylContact C-O 3.56Å; F231-N248 WeakPolarHBondContact CA-O 3.31Å; F231-N248 WeakPolarHBondContact CB-O 3.29Å; I232-N248 PolarHBondContact N-O 3.05Å; I232-N248 PolarHBondContact O-N 3.38Å; N248-F250 HydrophobicContact CB-CE2 3.92Å; N248-F250 HydrophobicContact CB-CZ 3.91Å; N248-F250 WeakPolarHBondContact ND2-CE1 3.34Å; N248-F250 WeakPolarHBondContact ND2-CZ 3.41Å
249V92Very high88.3Confident29 Ų2961.6 Ų61.618%0.17634%0.34CS..EExtended strand (participates in β ladder)trans-125.1119.6174.1-175.90000107.4F231 V246 L254 L258F231-V249 HydrophobicContact CB-CG2 4.23Å; V246-V249 HydrophobicContact CG1-CG2 3.56Å; V249-L254 HydrophobicContact CG1-CB 3.77Å; V249-L258 HydrophobicContact CG2-CB 4.3Å
250F87.7Confident88.8Confident109 Ų10964.9 Ų64.948%0.47834%0.335SS..  trans-98.9-33.9-177.1-56.4-90.3000111.6G230 I232 N248G230-F250 WeakPolarHBondContact O-CA 3.49Å; G230-F250 WeakPolarHBondContact O-CB 3.01Å; G230-F250 PolarHBondContact O-N 3.27Å; I232-F250 HydrophobicContact CB-CE2 4.19Å; I232-F250 HydrophobicContact CD1-CE2 3.56Å; I232-F250 HydrophobicContact CD1-CZ 3.74Å; I232-F250 HydrophobicContact CG1-CE2 3.7Å; I232-F250 HydrophobicContact CG1-CZ 4.38Å; N248-F250 HydrophobicContact CB-CE2 3.92Å; N248-F250 HydrophobicContact CB-CZ 3.91Å; N248-F250 WeakPolarHBondContact ND2-CE1 3.34Å; N248-F250 WeakPolarHBondContact ND2-CZ 3.41Å
251E87.1Confident89.3Confident27 Ų2762.3 Ų62.313%0.12631%0.309CS..  trans-80.9122-178.7-15367.8-14000111.3R138 V203 G230 N253 L254 A255R138-E251 IonicContact CZ-OE1 3.82Å; R138-E251 IonicContact CZ-OE2 3.87Å; R138-E251 IonicContact NH1-OE1 3.33Å; R138-E251 PolarHBondContact NH1-OE1 2.93Å; R138-E251 IonicContact NH2-OE1 3.31Å; R138-E251 PolarHBondContact NH2-OE1 3.43Å; R138-E251 IonicContact NH2-OE2 2.75Å; R138-E251 PolarHBondContact NH2-OE2 2.92Å; V203-E251 HydrophobicContact CB-CG 4.18Å; G230-E251 PolarHBondContact O-N 2.81Å; G230-E251 VanDerWaalsContact O-N 3.13Å; E251-N253 VanDerWaalsContact C-N 3.27Å; E251-N253 PolarHBondContact O-N 2.86Å; E251-L254 HydrophobicContact CB-CB 4.46Å; E251-L254 HydrophobicContact CB-CG 4.2Å; E251-L254 PolarHBondContact O-N 3.22Å; E251-A255 PolarHBondContact O-N 3.06Å
252K85.9Confident89.8Confident133 Ų13355.1 Ų55.158%0.57828%0.278SS*.THydrogen-bonded Turntrans-59.1-38.6-175.3-64.9-179.2-178.7176.80112.4L254 A255K252-L254 PolarHBondContact O-N 2.79Å; K252-A255 WeakPolarHBondContact O-CB 3.47Å; K252-A255 PolarHBondContact O-N 3.24Å
253N86.6Confident90.1Very high60 Ų6049.8 Ų49.832%0.32126%0.255SS..THydrogen-bonded Turntrans-61.5-33.3178.7-64.5-11000112.2E202 V203 E251 T256E202-N253 PolarHBondContact OE2-ND2 3.41Å; V203-N253 WeakPolarHBondContact O-CB 3.25Å; V203-N253 PolarHBondContact O-ND2 3.07Å; E251-N253 VanDerWaalsContact C-N 3.27Å; E251-N253 PolarHBondContact O-N 2.86Å; N253-T256 PolarHBondContact O-OG1 3.36Å
254L89.5Confident90.3Very high0 Ų049.2 Ų49.20%025%0.248CC..G310 helixtrans-80-23.6179.7-65.1-160000114.1V203 L220 Y229 F231 V249 E251 K252 T256 V257 L258V203-L254 HydrophobicContact CG1-CD1 4.2Å; V203-L254 HydrophobicContact CG1-CD2 4.13Å; V203-L254 HydrophobicContact CG1-CG 4.18Å; L220-L254 HydrophobicContact CD2-CD1 4.47Å; L220-L254 HydrophobicContact CD2-CD2 3.68Å; Y229-L254 WeakPolarHBondContact O-CD1 3.49Å; F231-L254 HydrophobicContact CD1-CD1 3.76Å; F231-L254 HydrophobicContact CE1-CD1 4.42Å; V249-L254 HydrophobicContact CG1-CB 3.77Å; E251-L254 HydrophobicContact CB-CB 4.46Å; E251-L254 HydrophobicContact CB-CG 4.2Å; E251-L254 PolarHBondContact O-N 3.22Å; K252-L254 PolarHBondContact O-N 2.79Å; L254-T256 PolarHBondContact O-N 2.89Å; L254-V257 HydrophobicContact CD2-CG2 4.38Å; L254-V257 WeakPolarHBondContact O-CG2 3.38Å; L254-V257 PolarHBondContact O-N 3.17Å; L254-L258 HydrophobicContact CD1-CD1 4.48Å; L254-L258 PolarHBondContact O-N 3.06Å
255A84.6Confident90.3Very high55 Ų5550.4 Ų50.446%0.45525%0.254SS..G310 helixtrans-61.7-16.3178.900000113.5E251 K252E251-A255 PolarHBondContact O-N 3.06Å; K252-A255 WeakPolarHBondContact O-CB 3.47Å; K252-A255 PolarHBondContact O-N 3.24Å
256T86.9Confident90.4Very high102 Ų10251.4 Ų51.463%0.62626%0.26SS*.G310 helixtrans-76.3-24.7173.363.90000113.5N253 L254N253-T256 PolarHBondContact O-OG1 3.36Å; L254-T256 PolarHBondContact O-N 2.89Å
257V92.3Very high90.4Very high6 Ų651.6 Ų51.64%0.03626%0.261CS..THydrogen-bonded Turntrans-116.3-32-173.5-62.70000113.8I207 I218 L220 L254I207-V257 HydrophobicContact CD1-CG1 4.4Å; I207-V257 HydrophobicContact CG1-CB 4.2Å; I207-V257 HydrophobicContact CG1-CG1 3.94Å; I218-V257 HydrophobicContact CD1-CB 4.43Å; I218-V257 VanDerWaalsContact CD1-O 3.26Å; I218-V257 WeakPolarHBondContact CD1-O 2.98Å; I218-V257 HydrophobicContact CG2-CB 4.02Å; I218-V257 HydrophobicContact CG2-CG2 3.9Å; L220-V257 HydrophobicContact CD2-CG2 4.25Å; L254-V257 HydrophobicContact CD2-CG2 4.38Å; L254-V257 WeakPolarHBondContact O-CG2 3.38Å; L254-V257 PolarHBondContact O-N 3.17Å
258L92.9Very high90.3Very high1 Ų150.2 Ų50.21%0.00526%0.256CS..  trans-120.3131.6-179.3-73172000110.5I218 L220 F231 V246 V249 L254 L292 V294I218-L258 HydrophobicContact CD1-CD2 3.59Å; I218-L258 HydrophobicContact CD1-CG 4.11Å; L220-L258 HydrophobicContact CD1-CD1 4.06Å; L220-L258 HydrophobicContact CD2-CD1 4.36Å; F231-L258 HydrophobicContact CD1-CD1 4.33Å; F231-L258 HydrophobicContact CE1-CD1 4.46Å; F231-L258 HydrophobicContact CG-CD1 4.48Å; V246-L258 HydrophobicContact CG2-CD2 4.41Å; V249-L258 HydrophobicContact CG2-CB 4.3Å; L254-L258 HydrophobicContact CD1-CD1 4.48Å; L254-L258 PolarHBondContact O-N 3.06Å; L258-L292 HydrophobicContact CD1-CD1 4.41Å; L258-V294 HydrophobicContact CD2-CG1 4.26Å; L258-V294 HydrophobicContact CD2-CG2 3.96Å
259N92Very high90.1Very high75 Ų7552 Ų5240%0.40127%0.274SS..  trans-115.9156176.1-67.3-82.9000111.7V246 G261 D262V246-N259 WeakPolarHBondContact CB-O 3.41Å; N259-G261 PolarHBondContact O-N 2.91Å; N259-D262 PolarHBondContact N-OD2 3.46Å; N259-D262 VanDerWaalsContact O-CB 3.28Å; N259-D262 WeakPolarHBondContact O-CB 3.34Å; N259-D262 VanDerWaalsContact O-CG 3.27Å; N259-D262 PolarHBondContact O-N 2.95Å
260R91.1Very high90Very high182 Ų18253.5 Ų53.569%0.68728%0.283SS*.THydrogen-bonded Turntrans-59.6129.6171.1-179.7170.7-168.3-151.2-0.4110.5E247E247-R260 VanDerWaalsContact O-CD 3.29Å; E247-R260 WeakPolarHBondContact O-CD 3.36Å; E247-R260 VanDerWaalsContact O-CG 3.31Å; E247-R260 WeakPolarHBondContact O-CG 3.41Å; E247-R260 PolarHBondContact O-NE 2.9Å
261G90.4Very high90Very high19 Ų1951.1 Ų51.120%0.19628%0.279CS..THydrogen-bonded Turntrans88.9-5.6-178.400000115V246 N259V246-G261 PolarHBondContact O-N 3.31Å; N259-G261 PolarHBondContact O-N 2.91Å
262D93Very high89.9Confident2 Ų250.6 Ų50.61%0.01128%0.277CS..PPolyproline II helixtrans-60.7139.6171.7-72.8-8000110.6Y245 V246 N259 V294 P296 L297Y245-D262 CarbonylContact C-O 3.57Å; Y245-D262 WeakPolarHBondContact CA-O 3.49Å; V246-D262 HydrophobicContact CG2-CB 4.2Å; V246-D262 PolarHBondContact N-O 3.42Å; N259-D262 PolarHBondContact N-OD2 3.46Å; N259-D262 VanDerWaalsContact O-CB 3.28Å; N259-D262 WeakPolarHBondContact O-CB 3.34Å; N259-D262 VanDerWaalsContact O-CG 3.27Å; N259-D262 PolarHBondContact O-N 2.95Å; D262-V294 HydrophobicContact CB-CG1 3.61Å; D262-P296 VanDerWaalsContact OD1-CA 3.27Å; D262-P296 WeakPolarHBondContact OD1-CA 3.33Å; D262-L297 PolarHBondContact OD1-N 3.22Å
263K92.6Very high89.2Confident28 Ų2855 Ų5512%0.12229%0.291CS..EExtended strand (participates in β ladder)trans-98.6121.1-176.4-176.2179.3-174.8138.30111.1K242 Y245 L265 V294 L295K242-K263 PolarHBondContact O-NZ 3.2Å; Y245-K263 HydrophobicContact CD1-CB 3.86Å; Y245-K263 HydrophobicContact CD1-CG 4.19Å; Y245-K263 HydrophobicContact CE1-CB 3.67Å; Y245-K263 HydrophobicContact CE1-CD 3.92Å; Y245-K263 HydrophobicContact CE1-CG 3.8Å; Y245-K263 HydrophobicContact CE2-CG 4.48Å; Y245-K263 PolarHBondContact OH-NZ 3.24Å; K263-L265 HydrophobicContact CD-CD2 4.09Å; K263-L265 HydrophobicContact CG-CD2 4.15Å; K263-V294 CarbonylContact O-C 3.54Å; K263-V294 WeakPolarHBondContact O-CA 3.41Å; K263-L295 HydrophobicContact CB-CB 4.32Å; K263-L295 PolarHBondContact N-O 3.34Å; K263-L295 PolarHBondContact O-N 2.99Å
264I93.5Very high87.7Confident4 Ų457.5 Ų57.52%0.02131%0.307CS..EExtended strand (participates in β ladder)trans-80.8129.9175-50.1-177.5000109.2F231 V233 L244 V246 V272 F280 L292 V294F231-I264 HydrophobicContact CE2-CD1 4.29Å; V233-I264 HydrophobicContact CG1-CD1 3.55Å; L244-I264 HydrophobicContact CB-CB 4.47Å; L244-I264 HydrophobicContact CD2-CB 4.4Å; L244-I264 HydrophobicContact CD2-CD1 4.22Å; L244-I264 PolarHBondContact O-N 2.92Å; V246-I264 HydrophobicContact CG2-CD1 4.31Å; V246-I264 HydrophobicContact CG2-CG1 4.29Å; I264-V272 HydrophobicContact CG2-CG2 4Å; I264-F280 HydrophobicContact CD1-CE1 4.41Å; I264-F280 HydrophobicContact CD1-CE2 4.24Å; I264-F280 HydrophobicContact CD1-CZ 3.64Å; I264-F280 HydrophobicContact CG2-CE2 4.18Å; I264-L292 HydrophobicContact CD1-CD1 4.43Å; I264-L292 HydrophobicContact CG2-CD2 4.3Å; I264-V294 HydrophobicContact CG1-CG2 4.49Å
265L92.3Very high86.5Confident33 Ų3360.9 Ų60.917%0.17332%0.322CS..EExtended strand (participates in β ladder)trans-107.1-50.5-177.3-58.2-179000111.8T215 K263 V272 K293 L295T215-L265 HydrophobicContact CG2-CD1 3.54Å; K263-L265 HydrophobicContact CD-CD2 4.09Å; K263-L265 HydrophobicContact CG-CD2 4.15Å; L265-V272 PolarHBondContact O-N 2.88Å; L265-K293 WeakPolarHBondContact CB-O 3.31Å; L265-K293 PolarHBondContact N-O 3.38Å; L265-L295 HydrophobicContact CD1-CB 4.2Å; L265-L295 HydrophobicContact CG-CB 4.45Å
266E93.2Very high86.3Confident52 Ų5265 Ų6524%0.24333%0.331CS..EExtended strand (participates in β ladder)trans-135.7149.2-177.1-66.3147.3-138.300109.9V270 P271 L292 K293E266-V270 CarbonylContact C-O 3.59Å; E266-V270 VanDerWaalsContact CA-O 3.24Å; E266-V270 WeakPolarHBondContact CA-O 3.36Å; E266-P271 HydrophobicContact CG-CB 4.24Å; E266-L292 WeakPolarHBondContact O-CA 3.28Å; E266-K293 HydrophobicContact CB-CB 3.92Å; E266-K293 HydrophobicContact CB-CD 4.41Å; E266-K293 VanDerWaalsContact CD-NZ 3.33Å; E266-K293 HydrophobicContact CG-CD 4.32Å; E266-K293 PolarHBondContact N-O 3.01Å; E266-K293 PolarHBondContact O-N 2.79Å; E266-K293 VanDerWaalsContact OE1-CD 3.31Å; E266-K293 WeakPolarHBondContact OE1-CD 3.48Å; E266-K293 IonicContact OE1-NZ 3.69Å; E266-K293 PolarHBondContact OE1-NZ 2.93Å; E266-K293 WeakPolarHBondContact OE2-CD 3.34Å; E266-K293 IonicContact OE2-NZ 3.58Å; E266-K293 PolarHBondContact OE2-NZ 3.44Å; E266-K293 VanDerWaalsContact OE2-NZ 3.17Å
267I92.1Very high86.2Confident5 Ų562.8 Ų62.83%0.02632%0.315CS..EExtended strand (participates in β ladder)trans-127.2124.7169.6-177.9164.3000107.9S269 V270 V272 F280 V283 L284 I290 R291 L292I267-S269 VanDerWaalsContact C-N 3.26Å; I267-S269 PolarHBondContact O-N 3.31Å; I267-V270 PolarHBondContact N-O 3.09Å; I267-V270 WeakPolarHBondContact O-CA 3.24Å; I267-V270 WeakPolarHBondContact O-CB 3.4Å; I267-V270 PolarHBondContact O-N 3.06Å; I267-V272 HydrophobicContact CB-CG2 4.35Å; I267-V272 HydrophobicContact CG2-CG2 3.95Å; I267-F280 HydrophobicContact CB-CE2 4.27Å; I267-F280 HydrophobicContact CD1-CD2 4.03Å; I267-F280 HydrophobicContact CD1-CE2 3.75Å; I267-F280 HydrophobicContact CD1-CZ 4.47Å; I267-F280 HydrophobicContact CG2-CD2 4.26Å; I267-F280 HydrophobicContact CG2-CE2 4.49Å; I267-V283 HydrophobicContact CD1-CB 4.07Å; I267-V283 HydrophobicContact CD1-CG1 3.59Å; I267-V283 HydrophobicContact CG1-CG1 4.15Å; I267-L284 HydrophobicContact CD1-CD2 4.09Å; I267-I290 HydrophobicContact CD1-CD1 4.39Å; I267-R291 CarbonylContact C-O 3.57Å; I267-R291 WeakPolarHBondContact CA-O 3.45Å; I267-L292 HydrophobicContact CB-CD2 3.95Å; I267-L292 HydrophobicContact CD1-CD2 3.92Å; I267-L292 HydrophobicContact CG1-CD2 3.79Å
268D89.7Confident86Confident65 Ų6566 Ų6635%0.34834%0.338SS..THydrogen-bonded Turntrans48.647.4-175.9-57.1-43.1000112.6V270 I290 R291D268-V270 PolarHBondContact O-N 3.26Å; D268-V270 VanDerWaalsContact O-N 3.1Å; D268-I290 WeakPolarHBondContact OD1-CA 3.46Å; D268-R291 PolarHBondContact N-O 3.29Å; D268-R291 PolarHBondContact OD1-N 3.49Å
269S87.4Confident85.7Confident104 Ų10469.2 Ų69.273%0.72735%0.353SS*.THydrogen-bonded Turntrans634.6-174.6-590000115.9I267I267-S269 VanDerWaalsContact C-N 3.26Å; I267-S269 PolarHBondContact O-N 3.31Å
270V88.9Confident85.5Confident61 Ų6165.8 Ų65.837%0.3734%0.335SS..EExtended strand (participates in β ladder)trans-94.8125.2175.2-175.80000110.6E266 I267 D268 V272E266-V270 CarbonylContact C-O 3.59Å; E266-V270 VanDerWaalsContact CA-O 3.24Å; E266-V270 WeakPolarHBondContact CA-O 3.36Å; I267-V270 PolarHBondContact N-O 3.09Å; I267-V270 WeakPolarHBondContact O-CA 3.24Å; I267-V270 WeakPolarHBondContact O-CB 3.4Å; I267-V270 PolarHBondContact O-N 3.06Å; D268-V270 PolarHBondContact O-N 3.26Å; D268-V270 VanDerWaalsContact O-N 3.1Å; V270-V272 PolarHBondContact O-N 3.34Å
271P87.3Confident85.3Confident59 Ų5960.4 Ų60.438%0.38332%0.315SS..EExtended strand (participates in β ladder)trans-67.2124.8-179.825.1-33.1000112.5E266 R273 V274E266-P271 HydrophobicContact CG-CB 4.24Å; P271-R273 PolarHBondContact O-N 2.89Å; P271-R273 VanDerWaalsContact O-N 3.09Å; P271-V274 HydrophobicContact CG-CG2 4.04Å; P271-V274 PolarHBondContact O-N 3.26Å
272V85.3Confident85.2Confident16 Ų1663.5 Ų63.510%0.09733%0.327CS..G310 helixtrans-64.2-18.9-178.1176.60000112.4L244 I264 L265 I267 V270 V274 K275 F280L244-V272 HydrophobicContact CB-CG1 3.89Å; L244-V272 HydrophobicContact CD2-CG1 3.68Å; L244-V272 HydrophobicContact CG-CG1 4.41Å; I264-V272 HydrophobicContact CG2-CG2 4Å; L265-V272 PolarHBondContact O-N 2.88Å; I267-V272 HydrophobicContact CB-CG2 4.35Å; I267-V272 HydrophobicContact CG2-CG2 3.95Å; V270-V272 PolarHBondContact O-N 3.34Å; V272-V274 PolarHBondContact O-N 2.8Å; V272-K275 PolarHBondContact O-N 2.75Å; V272-F280 HydrophobicContact CG1-CD2 4.42Å; V272-F280 HydrophobicContact CG2-CD2 4.19Å; V272-F280 HydrophobicContact CG2-CE2 4.36Å
273R72Confident85Confident227 Ų22764.7 Ų64.786%0.85733%0.334SS*.G310 helixtrans-57.1-21.8176.4-62.1-172.3-173.5-178.86.6114.1P271P271-R273 PolarHBondContact O-N 2.89Å; P271-R273 VanDerWaalsContact O-N 3.09Å
274V55.6Low84.8Confident111 Ų11164.1 Ų64.167%0.67333%0.332SS*.G310 helixtrans-86.6-19.9-175.2-175.30000112.4P271 V272P271-V274 HydrophobicContact CG-CG2 4.04Å; P271-V274 PolarHBondContact O-N 3.26Å; V272-V274 PolarHBondContact O-N 2.8Å
275K64.7Low84.5Confident71 Ų7170.3 Ų70.331%0.30936%0.355SS..SBendtrans-111.5145.1-161.6-64.8-160.9163.1-178.10113.7V272 E279V272-K275 PolarHBondContact O-N 2.75Å; K275-E279 HydrophobicContact CB-CB 4.09Å; K275-E279 WeakPolarHBondContact CB-OE2 3.45Å; K275-E279 HydrophobicContact CD-CB 4.15Å; K275-E279 VanDerWaalsContact CD-OE2 3.32Å; K275-E279 WeakPolarHBondContact CD-OE2 3.26Å; K275-E279 WeakPolarHBondContact CG-OE2 3.37Å
276H79.1Confident84.2Confident141 Ų14173.9 Ų73.965%0.65338%0.379SS*.  trans-62.2147.9163.9-80.3-92.9000110.2S278 E279 F280H276-S278 PolarHBondContact O-N 2.86Å; H276-S278 VanDerWaalsContact O-N 3.09Å; H276-E279 HydrophobicContact CB-CG 4.38Å; H276-E279 WeakPolarHBondContact CB-OE1 3.35Å; H276-E279 IonicContact CD2-OE1 3.71Å; H276-E279 PolarHBondContact N-OE1 3.43Å; H276-E279 WeakPolarHBondContact O-CB 3.5Å; H276-E279 PolarHBondContact O-N 2.93Å; H276-F280 PolarHBondContact O-N 2.86Å
277I85.7Confident84Confident56 Ų5673 Ų7329%0.28738%0.379SS..Hα-helixtrans-56.1-30.3175.9-167.5170.3000112.1V233 L235 L244 F280 Y281V233-I277 HydrophobicContact CG2-CD1 4.44Å; L235-I277 HydrophobicContact CB-CD1 4.37Å; L244-I277 HydrophobicContact CD1-CD1 3.86Å; L244-I277 HydrophobicContact CD1-CG1 3.98Å; I277-F280 WeakPolarHBondContact O-CB 3.37Å; I277-F280 PolarHBondContact O-N 2.78Å; I277-Y281 HydrophobicContact CD1-CE2 3.99Å; I277-Y281 HydrophobicContact CG1-CD2 3.94Å; I277-Y281 HydrophobicContact CG1-CE2 3.75Å; I277-Y281 VanDerWaalsContact O-CD2 3.28Å; I277-Y281 WeakPolarHBondContact O-CD2 3.13Å; I277-Y281 PolarHBondContact O-N 3.48Å
278S86.5Confident83.8Confident74 Ų7475.1 Ų75.152%0.51739%0.393SS..Hα-helixtrans-60.2-41.1172.2-51.60000113.2H276 Y281 N282H276-S278 PolarHBondContact O-N 2.86Å; H276-S278 VanDerWaalsContact O-N 3.09Å; S278-Y281 PolarHBondContact O-N 2.79Å; S278-N282 PolarHBondContact O-N 3.1Å; S278-N282 PolarHBondContact O-ND2 3.16Å; S278-N282 PolarHBondContact O-OD1 2.89Å
279E86.7Confident83.8Confident69 Ų6975.3 Ų75.332%0.32239%0.389SS..Hα-helixtrans-68.7-38.5176.8-64.8165.7-11800111.5K275 H276 N282 V283K275-E279 HydrophobicContact CB-CB 4.09Å; K275-E279 WeakPolarHBondContact CB-OE2 3.45Å; K275-E279 HydrophobicContact CD-CB 4.15Å; K275-E279 VanDerWaalsContact CD-OE2 3.32Å; K275-E279 WeakPolarHBondContact CD-OE2 3.26Å; K275-E279 WeakPolarHBondContact CG-OE2 3.37Å; H276-E279 HydrophobicContact CB-CG 4.38Å; H276-E279 WeakPolarHBondContact CB-OE1 3.35Å; H276-E279 IonicContact CD2-OE1 3.71Å; H276-E279 PolarHBondContact N-OE1 3.43Å; H276-E279 WeakPolarHBondContact O-CB 3.5Å; H276-E279 PolarHBondContact O-N 2.93Å; E279-N282 WeakPolarHBondContact O-CB 3.08Å; E279-N282 PolarHBondContact O-N 2.92Å; E279-N282 VanDerWaalsContact O-N 3.15Å; E279-V283 WeakPolarHBondContact O-CG2 3.47Å; E279-V283 PolarHBondContact O-N 2.82Å
280F88Confident84Confident3 Ų370.4 Ų70.41%0.01336%0.355CS..Hα-helixtrans-59-48173.7179.2-92.3000110.7F231 V233 L244 I264 I267 V272 H276 I277 N282 V283 L284 L292F231-F280 HydrophobicContact CE2-CE1 4.43Å; F231-F280 HydrophobicContact CE2-CZ 4.4Å; V233-F280 HydrophobicContact CB-CE1 4.3Å; V233-F280 HydrophobicContact CG1-CE1 3.85Å; V233-F280 HydrophobicContact CG1-CZ 4.29Å; V233-F280 HydrophobicContact CG2-CD1 3.7Å; V233-F280 HydrophobicContact CG2-CE1 3.54Å; L244-F280 HydrophobicContact CD2-CB 4.4Å; L244-F280 HydrophobicContact CD2-CD1 3.7Å; L244-F280 HydrophobicContact CD2-CD2 3.65Å; L244-F280 HydrophobicContact CD2-CE1 3.77Å; L244-F280 HydrophobicContact CD2-CE2 3.74Å; L244-F280 HydrophobicContact CD2-CG 3.63Å; L244-F280 HydrophobicContact CD2-CZ 3.8Å; I264-F280 HydrophobicContact CD1-CE1 4.41Å; I264-F280 HydrophobicContact CD1-CE2 4.24Å; I264-F280 HydrophobicContact CD1-CZ 3.64Å; I264-F280 HydrophobicContact CG2-CE2 4.18Å; I267-F280 HydrophobicContact CB-CE2 4.27Å; I267-F280 HydrophobicContact CD1-CD2 4.03Å; I267-F280 HydrophobicContact CD1-CE2 3.75Å; I267-F280 HydrophobicContact CD1-CZ 4.47Å; I267-F280 HydrophobicContact CG2-CD2 4.26Å; I267-F280 HydrophobicContact CG2-CE2 4.49Å; V272-F280 HydrophobicContact CG1-CD2 4.42Å; V272-F280 HydrophobicContact CG2-CD2 4.19Å; V272-F280 HydrophobicContact CG2-CE2 4.36Å; H276-F280 PolarHBondContact O-N 2.86Å; I277-F280 WeakPolarHBondContact O-CB 3.37Å; I277-F280 PolarHBondContact O-N 2.78Å; F280-N282 VanDerWaalsContact C-N 3.29Å; F280-N282 PolarHBondContact O-N 2.96Å; F280-V283 PolarHBondContact O-N 2.87Å; F280-L284 HydrophobicContact CD1-CD1 4.05Å; F280-L284 HydrophobicContact CD1-CG 4.22Å; F280-L284 HydrophobicContact CE1-CD1 3.48Å; F280-L284 VanDerWaalsContact CE1-CD1 3.48Å; F280-L284 HydrophobicContact CE1-CD2 4.27Å; F280-L284 HydrophobicContact CE1-CG 3.88Å; F280-L284 HydrophobicContact CZ-CD1 4.14Å; F280-L284 HydrophobicContact CZ-CD2 4.17Å; F280-L284 HydrophobicContact CZ-CG 4.27Å; F280-L284 WeakPolarHBondContact O-CG 3.33Å; F280-L284 PolarHBondContact O-N 2.84Å; F280-L292 HydrophobicContact CE2-CD2 4.26Å; F280-L292 HydrophobicContact CZ-CD2 4.45Å
281Y88.6Confident84.3Confident69 Ų6973 Ų7327%0.27136%0.358SS..Hα-helixtrans-64-29.9174.1-80.9-64.2000113.8V233 I277 S278 L284 R285V233-Y281 HydrophobicContact CG2-CE1 4.15Å; V233-Y281 HydrophobicContact CG2-CE2 3.89Å; V233-Y281 WeakPolarHBondContact CG2-OH 3.27Å; V233-Y281 PolarHBondContact N-OH 2.85Å; V233-Y281 VanDerWaalsContact N-OH 3.16Å; V233-Y281 PolarHBondContact O-OH 2.82Å; V233-Y281 VanDerWaalsContact O-OH 3.09Å; I277-Y281 HydrophobicContact CD1-CE2 3.99Å; I277-Y281 HydrophobicContact CG1-CD2 3.94Å; I277-Y281 HydrophobicContact CG1-CE2 3.75Å; I277-Y281 VanDerWaalsContact O-CD2 3.28Å; I277-Y281 WeakPolarHBondContact O-CD2 3.13Å; I277-Y281 PolarHBondContact O-N 3.48Å; S278-Y281 PolarHBondContact O-N 2.79Å; Y281-L284 HydrophobicContact CD1-CD1 4.21Å; Y281-L284 HydrophobicContact CE1-CD1 4.45Å; Y281-R285 VanDerWaalsContact O-CG 3.3Å; Y281-R285 WeakPolarHBondContact O-CG 3.4Å; Y281-R285 PolarHBondContact O-N 2.84Å; Y281-R285 VanDerWaalsContact O-N 3.15Å
282N88.2Confident84.7Confident83 Ų8370.2 Ų70.244%0.44434%0.34SS..Hα-helixtrans-66.6-44.6173.7-69.8-13.5000111.2S278 E279 F280 L284 R285 T286S278-N282 PolarHBondContact O-N 3.1Å; S278-N282 PolarHBondContact O-ND2 3.16Å; S278-N282 PolarHBondContact O-OD1 2.89Å; E279-N282 WeakPolarHBondContact O-CB 3.08Å; E279-N282 PolarHBondContact O-N 2.92Å; E279-N282 VanDerWaalsContact O-N 3.15Å; F280-N282 VanDerWaalsContact C-N 3.29Å; F280-N282 PolarHBondContact O-N 2.96Å; N282-L284 PolarHBondContact O-N 3.06Å; N282-R285 WeakPolarHBondContact O-CB 3.31Å; N282-R285 PolarHBondContact O-N 3.37Å; N282-R285 VanDerWaalsContact O-N 3.09Å; N282-T286 PolarHBondContact O-N 3.1Å; N282-T286 PolarHBondContact O-OG1 2.73Å
283V87.6Confident85.1Confident28 Ų2871.7 Ų71.717%0.1735%0.345CS..Hα-helixtrans-60.4-43.9174.5179.60000111.2I267 E279 F280 R285 T286 S287 I290I267-V283 HydrophobicContact CD1-CB 4.07Å; I267-V283 HydrophobicContact CD1-CG1 3.59Å; I267-V283 HydrophobicContact CG1-CG1 4.15Å; E279-V283 WeakPolarHBondContact O-CG2 3.47Å; E279-V283 PolarHBondContact O-N 2.82Å; F280-V283 PolarHBondContact O-N 2.87Å; V283-R285 PolarHBondContact O-N 2.82Å; V283-T286 PolarHBondContact O-N 3.17Å; V283-T286 PolarHBondContact O-OG1 2.82Å; V283-S287 WeakPolarHBondContact O-CB 3.31Å; V283-S287 PolarHBondContact O-N 2.78Å; V283-S287 PolarHBondContact O-OG 2.84Å; V283-I290 HydrophobicContact CG1-CG2 4.36Å
284L88.9Confident86.2Confident15 Ų1560.9 Ų60.98%0.07930%0.304CS..Hα-helixtrans-61.1-24.3175.7-66.3-167.3000114.1K222 Y229 F231 I267 F280 Y281 N282 I290K222-L284 PolarHBondContact NZ-O 3.22Å; Y229-L284 HydrophobicContact CD2-CB 4.32Å; Y229-L284 HydrophobicContact CD2-CD2 4.11Å; Y229-L284 HydrophobicContact CE2-CD2 4.28Å; Y229-L284 WeakPolarHBondContact CE2-O 3.5Å; F231-L284 HydrophobicContact CE2-CD1 4.21Å; F231-L284 HydrophobicContact CZ-CD1 3.86Å; F231-L284 HydrophobicContact CZ-CD2 4.06Å; I267-L284 HydrophobicContact CD1-CD2 4.09Å; F280-L284 HydrophobicContact CD1-CD1 4.05Å; F280-L284 HydrophobicContact CD1-CG 4.22Å; F280-L284 HydrophobicContact CE1-CD1 3.48Å; F280-L284 VanDerWaalsContact CE1-CD1 3.48Å; F280-L284 HydrophobicContact CE1-CD2 4.27Å; F280-L284 HydrophobicContact CE1-CG 3.88Å; F280-L284 HydrophobicContact CZ-CD1 4.14Å; F280-L284 HydrophobicContact CZ-CD2 4.17Å; F280-L284 HydrophobicContact CZ-CG 4.27Å; F280-L284 WeakPolarHBondContact O-CG 3.33Å; F280-L284 PolarHBondContact O-N 2.84Å; Y281-L284 HydrophobicContact CD1-CD1 4.21Å; Y281-L284 HydrophobicContact CE1-CD1 4.45Å; N282-L284 PolarHBondContact O-N 3.06Å; L284-I290 HydrophobicContact CD2-CD1 3.18Å
285R85.9Confident88Confident134 Ų13458.8 Ų58.851%0.50629%0.289SS..Hα-helixtrans-80.7-55.1175.8-74.2167.7178.6173.9-1.3110.5K222 Y281 N282 V283K222-R285 PolarHBondContact NZ-O 2.84Å; Y281-R285 VanDerWaalsContact O-CG 3.3Å; Y281-R285 WeakPolarHBondContact O-CG 3.4Å; Y281-R285 PolarHBondContact O-N 2.84Å; Y281-R285 VanDerWaalsContact O-N 3.15Å; N282-R285 WeakPolarHBondContact O-CB 3.31Å; N282-R285 PolarHBondContact O-N 3.37Å; N282-R285 VanDerWaalsContact O-N 3.09Å; V283-R285 PolarHBondContact O-N 2.82Å
286T87.2Confident89.3Confident109 Ų10956.2 Ų56.267%0.66928%0.279SS*.Hα-helixtrans-70.3-38.6-171.453.90000113.8N282 V283N282-T286 PolarHBondContact O-N 3.1Å; N282-T286 PolarHBondContact O-OG1 2.73Å; V283-T286 PolarHBondContact O-N 3.17Å; V283-T286 PolarHBondContact O-OG1 2.82Å
287S88.4Confident89.5Confident33 Ų3354.8 Ų54.823%0.23128%0.276CS..  trans-87128.8-174.5-56.30000111K222 Y229 V283 R289K222-S287 WeakPolarHBondContact CE-O 3.48Å; Y229-S287 PolarHBondContact OH-O 2.86Å; Y229-S287 VanDerWaalsContact OH-O 3.07Å; V283-S287 WeakPolarHBondContact O-CB 3.31Å; V283-S287 PolarHBondContact O-N 2.78Å; V283-S287 PolarHBondContact O-OG 2.84Å; S287-R289 WeakPolarHBondContact CB-O 3.3Å
288C87.5Confident88.6Confident49 Ų4958.5 Ų58.533%0.33130%0.295SS..SBendtrans-77.4-23.4170.5-650000112.6G221 K222 Y229G221-C288 WeakPolarHBondContact CA-O 3.34Å; K222-C288 WeakPolarHBondContact CG-O 3.39Å; K222-C288 PolarHBondContact N-O 2.82Å; Y229-C288 PolarHBondContact OH-O 3.05Å
289R90.1Very high86.8Confident69 Ų6959.3 Ų59.326%0.2632%0.315SS..EExtended strand (participates in β ladder)trans-131.9135.7179.4-172.3-176-172.6-178.79.7109.1E195 E219 L220 Y229 S287E195-R289 IonicContact OE1-CZ 3.17Å; E195-R289 IonicContact OE1-NH1 2.73Å; E195-R289 PolarHBondContact OE1-NH1 3.03Å; E219-R289 HydrophobicContact CG-CG 4.48Å; E219-R289 IonicContact OE1-CZ 3.98Å; E219-R289 VanDerWaalsContact OE1-CZ 3.26Å; E219-R289 IonicContact OE1-NE 2.78Å; E219-R289 PolarHBondContact OE1-NE 3.28Å; E219-R289 IonicContact OE1-NH2 2.93Å; E219-R289 PolarHBondContact OE1-NH2 3.46Å; E219-R289 IonicContact OE2-NE 3.48Å; E219-R289 IonicContact OE2-NH2 3.26Å; E219-R289 PolarHBondContact OE2-NH2 3.45Å; L220-R289 WeakPolarHBondContact O-CA 3.33Å; Y229-R289 PolarHBondContact OH-N 3.24Å; S287-R289 WeakPolarHBondContact CB-O 3.3Å
290I92.8Very high86.8Confident1 Ų158.8 Ų58.81%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-143152.717860.8-177.8000111.2L220 Y229 I267 D268 V283 L284 L292L220-I290 HydrophobicContact CB-CD1 4.43Å; L220-I290 HydrophobicContact CB-CG1 3.84Å; L220-I290 HydrophobicContact CD1-CD1 4.1Å; L220-I290 HydrophobicContact CD1-CG1 4.29Å; L220-I290 HydrophobicContact CG-CG1 4.39Å; L220-I290 PolarHBondContact N-O 2.93Å; L220-I290 PolarHBondContact O-N 2.63Å; Y229-I290 HydrophobicContact CD2-CD1 4.12Å; Y229-I290 HydrophobicContact CE1-CD1 4.32Å; Y229-I290 HydrophobicContact CE1-CG1 4.25Å; Y229-I290 HydrophobicContact CE2-CD1 3.66Å; Y229-I290 HydrophobicContact CE2-CG1 4.21Å; I267-I290 HydrophobicContact CD1-CD1 4.39Å; D268-I290 WeakPolarHBondContact OD1-CA 3.46Å; V283-I290 HydrophobicContact CG1-CG2 4.36Å; L284-I290 HydrophobicContact CD2-CD1 3.18Å; I290-L292 HydrophobicContact CD1-CD2 4.27Å; I290-L292 HydrophobicContact CD1-CG 4.39Å
291R94.5Very high86.7Confident117 Ų11761.7 Ų61.744%0.44233%0.33SS..EExtended strand (participates in β ladder)trans-113.1116.1172.3-68.5178.1175.3157.53.3110I208 I218 E219 I267 D268I208-R291 HydrophobicContact CD1-CG 4.33Å; I218-R291 CarbonylContact O-C 3.56Å; I218-R291 WeakPolarHBondContact O-CA 3.35Å; E219-R291 HydrophobicContact CG-CG 4.35Å; E219-R291 IonicContact OE2-NE 2.86Å; E219-R291 IonicContact OE2-NH2 3.95Å; I267-R291 CarbonylContact C-O 3.57Å; I267-R291 WeakPolarHBondContact CA-O 3.45Å; D268-R291 PolarHBondContact N-O 3.29Å; D268-R291 PolarHBondContact OD1-N 3.49Å
292L95Very high86.6Confident0 Ų061.3 Ų61.30%033%0.333CS..EExtended strand (participates in β ladder)trans-101132.1175.1-60.1-177.3000110.3I218 L220 F231 L258 I264 E266 I267 F280 I290 V294I218-L292 PolarHBondContact N-O 3.37Å; I218-L292 PolarHBondContact O-N 2.85Å; L220-L292 HydrophobicContact CD1-CD1 3.59Å; L220-L292 HydrophobicContact CD1-CG 4.23Å; L220-L292 HydrophobicContact CG-CD1 4.44Å; F231-L292 HydrophobicContact CZ-CD1 4.01Å; L258-L292 HydrophobicContact CD1-CD1 4.41Å; I264-L292 HydrophobicContact CD1-CD1 4.43Å; I264-L292 HydrophobicContact CG2-CD2 4.3Å; E266-L292 WeakPolarHBondContact O-CA 3.28Å; I267-L292 HydrophobicContact CB-CD2 3.95Å; I267-L292 HydrophobicContact CD1-CD2 3.92Å; I267-L292 HydrophobicContact CG1-CD2 3.79Å; F280-L292 HydrophobicContact CE2-CD2 4.26Å; F280-L292 HydrophobicContact CZ-CD2 4.45Å; I290-L292 HydrophobicContact CD1-CD2 4.27Å; I290-L292 HydrophobicContact CD1-CG 4.39Å; L292-V294 HydrophobicContact CB-CG2 3.8Å
293K94.7Very high86.5Confident46 Ų4660.1 Ų60.120%0.233%0.327CS..EExtended strand (participates in β ladder)trans-98.6122.3163.7-168.8-176.3-179.5179.40108.8R216 L217 L265 E266R216-K293 WeakPolarHBondContact O-CA 3.28Å; L217-K293 HydrophobicContact CD1-CB 4.15Å; L265-K293 WeakPolarHBondContact CB-O 3.31Å; L265-K293 PolarHBondContact N-O 3.38Å; E266-K293 HydrophobicContact CB-CB 3.92Å; E266-K293 HydrophobicContact CB-CD 4.41Å; E266-K293 VanDerWaalsContact CD-NZ 3.33Å; E266-K293 HydrophobicContact CG-CD 4.32Å; E266-K293 PolarHBondContact N-O 3.01Å; E266-K293 PolarHBondContact O-N 2.79Å; E266-K293 VanDerWaalsContact OE1-CD 3.31Å; E266-K293 WeakPolarHBondContact OE1-CD 3.48Å; E266-K293 IonicContact OE1-NZ 3.69Å; E266-K293 PolarHBondContact OE1-NZ 2.93Å; E266-K293 WeakPolarHBondContact OE2-CD 3.34Å; E266-K293 IonicContact OE2-NZ 3.58Å; E266-K293 PolarHBondContact OE2-NZ 3.44Å; E266-K293 VanDerWaalsContact OE2-NZ 3.17Å
294V94.5Very high86.4Confident1 Ų162.1 Ų62.11%0.00634%0.337CS..EExtended strand (participates in β ladder)trans-130.8134.1-166.4-178.70000109.8T215 R216 I218 L258 D262 K263 I264 L292T215-V294 CarbonylContact C-O 3.55Å; T215-V294 VanDerWaalsContact CA-O 3.3Å; T215-V294 WeakPolarHBondContact CA-O 3.44Å; R216-V294 PolarHBondContact N-O 3Å; R216-V294 PolarHBondContact O-N 2.7Å; I218-V294 HydrophobicContact CD1-CB 4.11Å; I218-V294 HydrophobicContact CD1-CG2 3.99Å; L258-V294 HydrophobicContact CD2-CG1 4.26Å; L258-V294 HydrophobicContact CD2-CG2 3.96Å; D262-V294 HydrophobicContact CB-CG1 3.61Å; K263-V294 CarbonylContact O-C 3.54Å; K263-V294 WeakPolarHBondContact O-CA 3.41Å; I264-V294 HydrophobicContact CG1-CG2 4.49Å; L292-V294 HydrophobicContact CB-CG2 3.8Å
295L93.2Very high86.3Confident67 Ų6765.2 Ų65.235%0.35135%0.354SS..EExtended strand (participates in β ladder)trans-95114168.1-179.167.4000108.3T215 K263 L265T215-L295 HydrophobicContact CG2-CB 4.13Å; T215-L295 HydrophobicContact CG2-CD1 3.87Å; K263-L295 HydrophobicContact CB-CB 4.32Å; K263-L295 PolarHBondContact N-O 3.34Å; K263-L295 PolarHBondContact O-N 2.99Å; L265-L295 HydrophobicContact CD1-CB 4.2Å; L265-L295 HydrophobicContact CG-CB 4.45Å
296P91.8Very high86.3Confident17 Ų1760.3 Ų60.311%0.1134%0.343CS..  trans-60.4146.4179-24.235.2000112.4R214 R216 D262 I298R214-P296 WeakPolarHBondContact O-CD 3.47Å; R216-P296 HydrophobicContact CG-CG 3.87Å; D262-P296 VanDerWaalsContact OD1-CA 3.27Å; D262-P296 WeakPolarHBondContact OD1-CA 3.33Å; P296-I298 VanDerWaalsContact C-N 3.27Å
297L84.4Confident86.2Confident111 Ų11156.5 Ų56.558%0.58132%0.318SS*.SBendtrans-65.9-35.6170.3-176.464.2000111.5D262D262-L297 PolarHBondContact OD1-N 3.22Å
298I66.7Low86.1Confident134 Ų13458.5 Ų58.569%0.68733%0.325SS*.  trans-111.6109.4-178.2-53.9172.3000107.9P296P296-I298 VanDerWaalsContact C-N 3.27Å
299G47.4Very low85.9Confident90 Ų9059.4 Ų59.493%0.92833%0.325SS*.  trans-151.80174.300000111.3R214R214-G299 VanDerWaalsContact CZ-OXT 3.28Å; R214-G299 PolarHBondContact NH1-O 2.97Å; R214-G299 PolarHBondContact NH1-OXT 3.44Å

Retrieved 299 of 299 residues in 596.1 ms (Link to these results)