A0A087YKK6_POEFO Loading...

Seizure related 6 homolog like

AlphaFold DB , UniProt , Accession A0A087YKK6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 928 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
1M27.9Very low34.9Very low243 Ų243164.6 Ų164.6100%1.19786%0.863SS**  0142.80-73.5169.4166.900108.3
2P61Low34.1Very low114 Ų114157.5 Ų157.574%0.7486%0.859SS**  trans-94.3-177.4178.641.6-36.8000111.5
3P55.3Low33.8Very low125 Ų125156.2 Ų156.281%0.81286%0.859SS**  -122.1153.878.42.920000112.6
4A38.9Very low33.5Very low91 Ų91156.4 Ų156.475%0.75286%0.857SS**  cis79.5134.833.400000114.1
5A36.3Very low34.2Very low93 Ų93154.3 Ų154.377%0.76985%0.854SS**  cis-161.3-156.2-11.300000107.3
6R30.2Very low34Very low245 Ų245150.1 Ų150.193%0.92585%0.846SS**  cis-170134.810.7-159.1-179.2-168.8175.53.7110.2
7S25.2Very low33.8Very low120 Ų120148.7 Ų148.784%0.83984%0.841SS**  trans-162137.6164.9-1750000112.8
8V28.1Very low33.5Very low127 Ų127148.6 Ų148.677%0.7784%0.837SS**  trans-156.8119.8179.41760000111.7
9R26.7Very low33.1Very low243 Ų243153.4 Ų153.492%0.91784%0.841SS**  -177.2154.8129.1-106.9174.8-176.3-176.40.6114.9
10L27.3Very low32.9Very low154 Ų154150.5 Ų150.581%0.80683%0.828SS**  trans-84.7153178-64.266.9000112.1
11R26.5Very low32.5Very low256 Ų256153.9 Ų153.997%0.96683%0.828SS**  -177.8147.8123.6-103.1172.6177.4-168.8-2.2110.9
12G25.6Very low32.5Very low79 Ų79148.9 Ų148.981%0.81481%0.806SS**  trans158.745.5174.900000117.4
13T30.6Very low30.8Very low140 Ų140149 Ų14986%0.85980%0.8SS**  trans-92.8139.6170.648.10000112
14L30Very low29.4Very low159 Ų159153.7 Ų153.783%0.83280%0.801SS**  trans-9.7148.2151.9-76.1163.6000117.5
15P42.8Very low28.8Very low126 Ų126154.1 Ų154.182%0.81880%0.799SS**  -143.3-175.452.740.9-21.9000117.3
16A31.9Very low28.3Very low87 Ų87154.5 Ų154.572%0.71980%0.795SS**  trans-96.6168.1176.600000113.1
17V30Very low28.1Very low126 Ų126149.1 Ų149.176%0.76479%0.79SS**  trans179.2116.6141.9143.70000112.5
18L28.3Very low28.3Very low147 Ų147148.8 Ų148.877%0.7779%0.787SS**  trans49.4-179.1150.5-77.5113.7000123.4V20L18-V20 HydrophobicContact CD2-CG2 4.47Å
19W26.7Very low28.4Very low239 Ų239147.7 Ų147.791%0.90579%0.792SS**  trans82.9106-170.2-6383.9000114.7
20V27.9Very low28.3Very low96 Ų96139.7 Ų139.758%0.58279%0.785SS**  cis104.6106.321.8178.70000112.9L18L18-V20 HydrophobicContact CD2-CG2 4.47Å
21W26.2Very low28.5Very low222 Ų222139.1 Ų139.184%0.84178%0.783SS**  trans69152.1165.5-69.938.8000116.3
22L26.7Very low28.5Very low137 Ų137133.5 Ų133.572%0.71777%0.765SS**  cis-121.6147.9-5.2-81.7100000109.4
23L26.3Very low28.6Very low118 Ų118137.1 Ų137.162%0.61876%0.761SS**  80.2114.663.9-124-178.5000115.3
24W24.6Very low28.6Very low223 Ų223137 Ų13785%0.84576%0.759SS**  trans78.5130.1151.1-104.2-26.3000123.9
25S26.6Very low29.8Very low100 Ų100134.4 Ų134.470%0.69975%0.752SS**  trans59.6147.7135.6630000121
26S26.2Very low29.1Very low100 Ų100135.1 Ų135.170%0.69976%0.755SS**  cis178.1166.4-8.751.20000109.7
27V26Very low29Very low132 Ų132137.4 Ų137.480%0.876%0.759SS**  trans58105.3148.3168.70000116.7
28S30Very low29.9Very low113 Ų113136.6 Ų136.679%0.7976%0.757SS**  87.7162.182.5-157.50000114.8
29A29.6Very low29.8Very low104 Ų104137.2 Ų137.286%0.8676%0.76SS**  trans61.7149.1-160.500000113.1
30G25.4Very low29.8Very low75 Ų75130.7 Ų130.777%0.77375%0.751SS**  cis157170.96.200000106.7
31D29.7Very low29.7Very low143 Ų143132.9 Ų132.977%0.76576%0.758SS**  cis-166.3175.1-7.7-171.811.8000106.8
32K28.3Very low29.7Very low137 Ų137131 Ų13160%0.59676%0.758SS**  trans73.5118156.4-74.8169.1159.6-73.40123.6
33E26.7Very low29.8Very low156 Ų156129.2 Ų129.273%0.72976%0.758SS**  90.4154120.5-71.2161.5179.400122.5
34V30Very low30.3Very low136 Ų136129.8 Ų129.882%0.82477%0.768SS**  trans-135.9-169-163.9-126.70000107.1
35P56.8Low30.5Very low106 Ų106125.1 Ų125.169%0.68876%0.764SS**  cis-130.1177.2-29.137.1-21.4000113
36T26.2Very low30.6Very low141 Ų141127.3 Ų127.387%0.86577%0.767SS**  trans-163.5146.6142.4-2.90000114.8
37V31.7Very low30.5Very low134 Ų134129.5 Ų129.581%0.81278%0.776SS**  trans-152.1137.4177.8172.70000104.1
38P48.2Very low30.5Very low110 Ų110129.2 Ų129.271%0.71478%0.775SS**  -162.8-170.379.643.5-19.9000119.4
39L26.7Very low30.4Very low159 Ų159129.1 Ų129.183%0.83278%0.781SS**  trans9393.6155.1-70.3163.3000121.3
40S25.8Very low30.2Very low102 Ų102127.1 Ų127.171%0.71377%0.771SS**  23.1137.5116.4-172.40000120.9
41I26.6Very low30.3Very low143 Ų143130 Ų13073%0.73377%0.774SS**  -170.7131.3124.4-102.4160000114.6
42Q26.6Very low30.1Very low181 Ų181133 Ų13385%0.84677%0.774SS**  trans53.2149.9149.6-64.6174.6-17.200124.7
43S27.8Very low30Very low101 Ų101132.8 Ų132.871%0.70678%0.775SS**  trans-108.8164.3164.453.70000111.9
44P37.4Very low29.9Very low129 Ų129133.3 Ų133.384%0.83878%0.783SS**  trans-114167.5165.838.4-29.4000113.5
45V27.9Very low29.8Very low125 Ų125130.3 Ų130.376%0.75878%0.78SS**  trans-141.3145.4-172.1171.50000111.6
46L28.8Very low28.6Very low147 Ų147130.4 Ų130.477%0.7778%0.783SS**  trans62.3133.8167.9-109.671.7000120.2
47T24.1Very low28.7Very low145 Ų145133.4 Ų133.489%0.8978%0.784SS**  -162173.11167.50000111.4
48T26.5Very low28.5Very low127 Ų127130.4 Ų130.478%0.77978%0.78SS**  trans-126.4173.3-162.249.20000114.2
49A26.9Very low27.7Very low110 Ų110134.6 Ų134.691%0.90979%0.787SS**  trans92.3149176.200000116.8
50G25.7Very low27.8Very low63 Ų63132.7 Ų132.765%0.64978%0.782SS**  cis163.5134.6-12.400000116.1
51T26.8Very low28Very low136 Ų136132.1 Ų132.183%0.83478%0.778SS**  trans65.1137.9158.3500000122.3
52R26.6Very low28.2Very low205 Ų205130 Ų13077%0.77478%0.776SS**  trans78.5149141.8-80.5-175.2152.5162.9-9.7120.6
53E26.3Very low28.3Very low132 Ų132128.9 Ų128.962%0.61778%0.775SS**  cis-164159.1-19-137.1157.5-144.100108.9
54D25.4Very low28.4Very low167 Ų167128.5 Ų128.589%0.89378%0.778SS**  trans57.1158.1175.1-69.9-26.4000118.3
55G27.3Very low28Very low73 Ų73127.3 Ų127.375%0.75378%0.779SS**  cis155.1159.3-0.600000109
56S30.5Very low27.9Very low108 Ų108125.5 Ų125.576%0.75579%0.785SS**  cis-172.6165.6-3-177.20000109.4
57K29.4Very low27.8Very low205 Ų205121.6 Ų121.689%0.89178%0.781SS**  trans77.8133.5170.8-50.5162.3-174.7167.80117.6
58G27.2Very low27.9Very low70 Ų70124.3 Ų124.372%0.72278%0.78SS**  cis141.3171.7-19.900000116.6
59K30.5Very low28Very low198 Ų198125 Ų12586%0.86178%0.779SS**  trans76.1145.7166.4-65.9-159.8169.9-172.80117.4
60T29.5Very low28Very low119 Ų119127.2 Ų127.273%0.7377%0.77SS**  cis-168.4167.9-4.817.90000108.6
61S30.5Very low28.1Very low91 Ų91128.7 Ų128.764%0.63677%0.771SS**  cis-174.2167.9-8.846.30000111.5
62S31.1Very low28.1Very low99 Ų99128.3 Ų128.369%0.69277%0.767SS**  trans68.1152146.962.10000119.1
63L27.3Very low28.2Very low157 Ų157126.3 Ų126.382%0.82277%0.771SS**  cis-125.4149.16-8692000109.6
64A30.6Very low28.3Very low93 Ų93123.7 Ų123.777%0.76977%0.773SS**  67.913565.600000115.3
65A29Very low28.3Very low104 Ų104122.9 Ų122.986%0.8676%0.763SS**  cis-169163.7-6.800000114.3
66G25.5Very low28.3Very low86 Ų86130.4 Ų130.489%0.88777%0.769SS**  trans95.4148.4159.500000117.3
67G27.4Very low28.3Very low65 Ų65128.7 Ų128.767%0.6777%0.768SS**  cis162.6156.6-1000000114.1
68F25.8Very low28.2Very low202 Ų202130.3 Ų130.389%0.88677%0.769SS**  trans68.5143.8178.4-66.7-117.9000115.2
69L28.9Very low28.2Very low142 Ų142134.7 Ų134.774%0.74378%0.775SS**  cis-159.4175-17-99.4-179000106.2
70H27.4Very low28.2Very low156 Ų156130.9 Ų130.972%0.72277%0.768SS**  cis-142-160.15.2-165.3-98.8000109
71S27Very low28.1Very low95 Ų95129.8 Ų129.866%0.66477%0.765SS**  trans-145.5149.3170.861.50000114.7
72V27Very low28Very low127 Ų127134.6 Ų134.677%0.7778%0.775SS**  trans-157.1115160.8-1590000104.7
73L28.1Very low27.8Very low163 Ų163137.8 Ų137.885%0.85378%0.776SS**  53.314278.1-60.8173.9000115
74A28.3Very low27.7Very low78 Ų78133.1 Ų133.165%0.64577%0.766SS**  cis-171.2167.9-22.700000111.6
75Q26.6Very low27.6Very low150 Ų150136 Ų13670%0.70176%0.764SS**  trans71130151.3-73.5-170.424.800123.2
76R27.6Very low27.5Very low230 Ų230136.8 Ų136.887%0.86876%0.757SS**  trans66.7140140.5-66169.2171.5-179-2.7119.6
77G29Very low27.6Very low72 Ų72139.9 Ų139.974%0.74275%0.752SS**  cis140.8147.6-18.200000117.1
78R28.1Very low28.9Very low239 Ų239141.9 Ų141.990%0.90275%0.753SS**  trans64.3125.3164.9-72-175.2170.9-172.8-2.3120.4
79L28.3Very low28.8Very low162 Ų162137.7 Ų137.785%0.84875%0.749SS**  -177.8132.4116.8-86.7152.3000105.7
80V28.5Very low28.8Very low118 Ų118135 Ų13572%0.71575%0.747SS**  cis70.3121.443.5-1770000110.6
81S28.3Very low28.8Very low96 Ų96135.6 Ų135.667%0.67176%0.755SS**  cis-149.7156.229.3-112.90000111.5
82K28.4Very low29.5Very low192 Ų192135.6 Ų135.684%0.83575%0.753SS**  53.2147.683.2-72.7-175.3175-179.80116.4
83K26.4Very low29.7Very low166 Ų166138.3 Ų138.372%0.72276%0.757SS**  cis-178.1154.5-7.8165.8-179.7-174.3-73.60110.1E85K83-E85 IonicContact NZ-OE1 2.77Å; K83-E85 IonicContact NZ-OE2 2.82Å; K83-E85 PolarHBondContact NZ-OE2 3.41Å
84G26.5Very low29.8Very low60 Ų60137.7 Ų137.762%0.61975%0.754SS**  trans122.7138.3161.400000113.5
85E27.3Very low29.7Very low153 Ų153141.5 Ų141.572%0.71576%0.763SS**  cis97.7141.533.3-78.1167112.300114.3K83K83-E85 IonicContact NZ-OE1 2.77Å; K83-E85 IonicContact NZ-OE2 2.82Å; K83-E85 PolarHBondContact NZ-OE2 3.41Å
86V27Very low29.7Very low120 Ų120142.5 Ų142.573%0.72777%0.773SS**  cis-169.9152.3-29.2750000111.6
87I28.7Very low30.8Very low152 Ų152136 Ų13678%0.77976%0.76SS**  trans70.5168.9166.512.8178.1000121.3
88P53.1Low30.7Very low107 Ų107139.8 Ų139.870%0.69576%0.762SS**  -140.5-144.3-119.649.9-28.3000116.6
89S25.3Very low30.6Very low114 Ų114136.5 Ų136.580%0.79776%0.762SS**  trans103.2143.4159.278.80000117.9
90A29Very low30.5Very low85 Ų85131.6 Ų131.670%0.70275%0.751SS**  cis-172.3162.5-15.400000115.1
91L26.6Very low30.5Very low168 Ų168138.2 Ų138.288%0.8876%0.763SS**  trans79.6159.3147.6-75.6163.9000120.8
92P41.8Very low30.3Very low95 Ų95137 Ų13762%0.61777%0.765SS**  trans-142.6-169.4-133.646.7-27.5000116.4
93Q30.8Very low30.2Very low184 Ų184136.4 Ų136.486%0.8677%0.77SS**  trans167.1133.4135.4-90161.732.500108.7
94N30.2Very low30.1Very low150 Ų150133.9 Ų133.980%0.80277%0.773SS**  cis99.9131.528.7-99.5-2.3000117.1
95L27.4Very low30.2Very low159 Ų159136.4 Ų136.483%0.83278%0.776SS**  trans81.5120.5158.2-66.4162.9000121.8
96L24.6Very low30.3Very low171 Ų171136.2 Ų136.290%0.89578%0.78SS**  trans-154.1145.5136.7-110.3176.6000109.9
97P51Low30.3Very low93 Ų93135 Ų13560%0.60478%0.777SS**  trans-133.7166.3-178.442.8-29.6000117.3
98L27.5Very low30.3Very low151 Ų151136.9 Ų136.979%0.79178%0.78SS**  trans75.3142.2145.2-80.8163.9000122.9
99L24.9Very low29.1Very low171 Ų171140.9 Ų140.990%0.89579%0.789SS**  trans71.4145.4158.9-61.1152.3000117.8
100G27.3Very low29.1Very low59 Ų59138.5 Ų138.561%0.60878%0.783SS**  cis147.2147.1-7.400000114.2
101R28.8Very low29Very low257 Ų257140.6 Ų140.697%0.9779%0.792SS**  trans82.9152.3-174.7-51.1164.3174.2178.8-2.4115.2
102G23.6Very low29Very low69 Ų69139.9 Ų139.971%0.71179%0.789SS**  cis150.4134.5-15.800000117.2
103L27.3Very low29.2Very low180 Ų180139.8 Ų139.894%0.94279%0.789SS**  trans80142.7156.1-67.6166000123.4
104S22.9Very low29.1Very low113 Ų113138.8 Ų138.879%0.7978%0.784SS**  trans84.7148.7149.2-159.30000120.3
105V28.2Very low29Very low113 Ų113138.5 Ų138.569%0.68578%0.778SS**  cis173.2152-48.7144.80000110.2
106N29.4Very low29Very low150 Ų150137 Ų13780%0.80277%0.766SS**  trans73.4154.4168.3-79-9.8000118.8
107S27.8Very low29.3Very low95 Ų95136.2 Ų136.266%0.66476%0.758SS**  cis-169.8153.4-6.945.90000114.9
108F27.9Very low28.3Very low191 Ų191136.7 Ų136.784%0.83876%0.763SS**  trans25.2130147.9-75.9-90000123.8
109H28.3Very low28.4Very low190 Ų190137.9 Ų137.988%0.8877%0.765SS**  174.2174.6104.2-112.3-80.1000113.5
110G26.2Very low28.4Very low65 Ų65132.5 Ų132.567%0.6775%0.75SS**  trans-168.3160.517100000115.1
111S26.1Very low28.4Very low128 Ų128137.2 Ų137.290%0.89576%0.761SS**  trans-172.6-177.617857.30000113.6
112N27.8Very low29.5Very low153 Ų153130.3 Ų130.382%0.81875%0.749SS**  trans-155.5-171.1-175.7-1426.6000108.8
113P46.2Very low29.7Very low94 Ų94132 Ų13261%0.6175%0.75SS**  cis-142.3-177.6-8.141.9-21.2000118.3
114Q28.1Very low29.7Very low163 Ų163135 Ų13576%0.76275%0.749SS**  trans85.8150.2138.8-125178.3-48.200125
115E28.3Very low29.9Very low144 Ų144133.7 Ų133.767%0.67375%0.745SS**  trans76155.2159.2-55.9-146.7100.800120.1
116H27.7Very low29.8Very low126 Ų126137.5 Ų137.558%0.58375%0.752SS**  cis-160.8152.315.8-143.831.9000114.6
117Q29.6Very low29.6Very low156 Ų156135.6 Ų135.673%0.72975%0.75SS**  trans59.1154.1151.2-70.6179.219.100122
118S30.3Very low30.2Very low102 Ų102137.1 Ų137.171%0.71376%0.758SS**  cis-175-179.1-15.361.60000107.8
119E30.1Very low30.1Very low177 Ų177132 Ų13283%0.82775%0.752SS**  cis-164.6167.9-3.1-139.2-63.483.700108.2
120G25.6Very low30.1Very low57 Ų57128.7 Ų128.759%0.58875%0.749SS**  trans144.6109.1155.300000118
121L27.2Very low30.2Very low159 Ų159130.2 Ų130.283%0.83276%0.756SS**  trans-140.3-163.4176-125.781.1000110.4
122P52Low30.2Very low111 Ų111128.9 Ų128.972%0.72175%0.753SS**  cis-122.9-178.31.742.5-24.3000114
123S26.1Very low30.2Very low104 Ų104125.9 Ų125.973%0.72775%0.749SS**  cis-174.6145.946.4540000116.4
124R29Very low29.3Very low245 Ų245127.2 Ų127.293%0.92576%0.76SS**  trans28.2147.8131.2-94.7-176.5165.3162.7-4.1121.9
125A26.6Very low29.2Very low85 Ų85122.8 Ų122.870%0.70276%0.758SS**  cis-162157.76.500000116.1
126K25.2Very low29.1Very low193 Ų193126.1 Ų126.184%0.83977%0.774SS**  trans7.8135.7155.1-78.5-169.5173-171.60124.1
127S25.7Very low29.1Very low109 Ų109124 Ų12476%0.76279%0.786SS**  trans70.7165.9136.2-59.30000118
128P40.7Very low29.1Very low128 Ų128122 Ų12283%0.83179%0.789SS**  cis-135.6-146.214.845.4-25.6000114.7
129A26.3Very low29Very low84 Ų84122.9 Ų122.969%0.69480%0.796SS**  trans-138.3168.1-179.700000113.5
130S28.4Very low29.5Very low119 Ų119119.5 Ų119.583%0.83279%0.789SS**  trans72.3130.7157.666.80000122.6
131A27.4Very low29.6Very low97 Ų97121.6 Ų121.680%0.80280%0.795SS**  117.9127.9127.500000122.1
132A25.9Very low29.6Very low101 Ų101122.6 Ų122.684%0.83580%0.795SS**  trans90.2156.2135.800000124
133A27.7Very low28.6Very low89 Ų89123.2 Ų123.274%0.73680%0.799SS**  trans68.5122.9171.800000117.6
134S27.2Very low29.2Very low122 Ų122123.2 Ų123.285%0.85380%0.797SS**  70.3134.150.680.10000114.7
135G26.1Very low29Very low70 Ų70116.3 Ų116.372%0.72279%0.786SS**  cis163.3164-2.800000112.2
136Q27.6Very low29.1Very low214 Ų214118.2 Ų118.2100%179%0.789SS**  trans70.3144.3176.2-62.7-175.2-20.800119.6
137G26.7Very low29.2Very low81 Ų81115.2 Ų115.284%0.83578%0.782SS**  trans156.8125173.800000111.4
138S29.6Very low29.3Very low114 Ų114115.6 Ų115.680%0.79778%0.78SS**  trans-138.6130.6-160.959.70000116.8
139S28.3Very low28.9Very low121 Ų121117.2 Ų117.285%0.84678%0.776SS**  trans62.2167154.3-114.70000118.4
140P40.3Very low29.1Very low107 Ų107117 Ų11770%0.69577%0.77SS**  cis-136.3170.11.840.3-22.2000118.3
141S27Very low29.1Very low100 Ų100119.6 Ų119.670%0.69977%0.769SS**  trans64.5124.4143.360.10000124.3
142Q28.2Very low29.1Very low181 Ų181121.5 Ų121.585%0.84677%0.765SS**  trans68.4140.2151.8-80.4-177.5-32.500119.3
143P30.3Very low30.1Very low124 Ų124122.4 Ų122.481%0.80576%0.762SS**  -140.9177.383.541.7-28000115.7
144P38.2Very low30.3Very low104 Ų104125.7 Ų125.768%0.67576%0.762SS**  trans-113170.4174.540.7-32.6000116.1
145S25.1Very low30.3Very low99 Ų99125.9 Ų125.969%0.69276%0.758SS**  trans67.296.3148.460.30000123.8
146T28.4Very low30.3Very low126 Ų126134 Ų13477%0.77377%0.767SS**  58.3159116.27.80000126.2
147D28.2Very low30.2Very low129 Ų129129.2 Ų129.269%0.6975%0.752SS**  trans86.1147157.1-63-18.9000118.9
148T26.7Very low30.2Very low117 Ų117133.9 Ų133.972%0.71875%0.752SS**  cis-152.5132.513.2-11.20000113.9
149H33.3Very low29.9Very low162 Ų162134.6 Ų134.675%0.7575%0.752SS**  61160.7129.9-79.4-120.5000123.6
150S30Very low30.9Very low81 Ų81133.9 Ų133.957%0.56674%0.744SS**  cis-177.5178.4-14.555.90000116
151Q28Very low30.1Very low172 Ų172137.3 Ų137.380%0.80475%0.751SS**  trans99.2102.7140.7-84.4169.5-4.800123.4
152L29.4Very low31.4Very low138 Ų138137.5 Ų137.572%0.72375%0.75SS**  33149.7105.7-85.5161.5000122.4
153P45.5Very low31.2Very low120 Ų120137.6 Ų137.678%0.77975%0.75SS**  -143.7177.7105.239.3-25.1000117.2
154H31.9Very low31Very low158 Ų158136.2 Ų136.273%0.73175%0.749SS**  trans-85.3-176.8-179.1-55.3-87000113.1
155T27.4Very low30.4Very low125 Ų125139.2 Ų139.277%0.76775%0.754SS**  cis-171.1148.726.4-250000112.4
156R26.8Very low30.5Very low242 Ų242141 Ų14191%0.91376%0.755SS**  178172.8118.7-105-178.8172.1163.1-0.4114.2
157T24.9Very low30.3Very low112 Ų112140.3 Ų140.369%0.68775%0.75SS**  trans-125.5148.6-158.546.90000114
158H27.2Very low30.2Very low179 Ų179140.7 Ų140.783%0.82976%0.758SS**  172.2163.7126.3-98.1-72.7000113.8
159T22.8Very low30.4Very low130 Ų130140.8 Ų140.880%0.79876%0.758SS**  trans-158.6168.8179.931.20000108.6
160P50.4Low30.7Very low106 Ų106138.6 Ų138.669%0.68876%0.758SS**  cis-133.1-177.8-1239.1-21.4000115.8
161E23.5Very low30.5Very low179 Ų179142.1 Ų142.184%0.83677%0.77SS**  trans65.1160.5149.7-84177.9-169.400122.1
162P52.5Low31.2Very low104 Ų104139.5 Ų139.568%0.67577%0.766SS**  cis-135.8-156.5-24.335.2-13.1000114.2
163E24.3Very low31.1Very low182 Ų182140.4 Ų140.485%0.8577%0.771SS**  trans80.1110.3172.6-58.4-178.6178.200115.9
164A26.1Very low30.8Very low95 Ų95140.4 Ų140.479%0.78577%0.769SS**  88.3138.871.800000112.4
165E25.8Very low30.9Very low167 Ų167141 Ų14178%0.7877%0.773SS**  cis-144.3164.119.8-65.5-174.6105.700114.4
166I28.1Very low31.2Very low138 Ų138140.2 Ų140.271%0.70877%0.768SS**  trans46.6130.8131.2-65.1170.1000119.7
167T24.6Very low32.1Very low110 Ų110135.2 Ų135.268%0.67577%0.766SS**  cis-151.8149.84.6-3.10000111.5V169T167-V169 HydrophobicContact CG2-CG2 4.18Å
168T25.9Very low32.7Very low138 Ų138135.5 Ų135.585%0.84776%0.763SS**  trans-135.5132.113945.30000108.5
169V29.8Very low33.6Very low119 Ų119129.3 Ų129.372%0.72174%0.74SS**  trans-102.7117.4173.2178.50000107.6T167T167-V169 HydrophobicContact CG2-CG2 4.18Å
170P39.8Very low34.8Very low116 Ų116127.3 Ų127.375%0.75374%0.737SS**  trans-78.5130.3157.932.4-28.1000107.8
171D26.2Very low35Very low155 Ų155125.4 Ų125.483%0.82973%0.73SS**  trans-108.6147.4159-144.3-20.2000109.1
172V42.2Very low37Very low117 Ų117118.1 Ų118.171%0.70970%0.698SS**  trans-109122.7-175.1173.40000107.6
173D28Very low37.8Very low157 Ų157117.8 Ų117.884%0.8470%0.698SS**  trans-132.7154.2158.3-134.1-32000112.5
174T39.7Very low40.3Very low120 Ų120110.5 Ų110.574%0.73667%0.667SS**  trans-107.489.6-156.4-52.80000111.2T176T174-T176 PolarHBondContact O-N 3.21Å
175E32.7Very low43Very low171 Ų171113.5 Ų113.580%0.79967%0.667SS**  trans-71.1127.2173.7-69-156.5143.900112.2
176T34Very low45.8Very low108 Ų108107.3 Ų107.366%0.66364%0.641SS**  trans-70161167.139.50000110.7T174 L178T174-T176 PolarHBondContact O-N 3.21Å; T176-L178 PolarHBondContact O-N 2.77Å
177P46.1Very low48.7Very low136 Ų136106.5 Ų106.588%0.88364%0.638SS**  trans-68.396.4-175.927.4-35.6000112.1
178L37.9Very low51.8Low119 Ų119103.2 Ų103.262%0.62361%0.614SS**  trans-79.6131.6177.1-81.2150.1000111.9T176T176-L178 PolarHBondContact O-N 2.77Å
179S45.4Very low54.7Low49 Ų49100.8 Ų100.834%0.34360%0.603SS.*  trans38.1103.3158.259.20000118A181 G206S179-A181 PolarHBondContact O-N 3.44Å; S179-G206 WeakPolarHBondContact CB-O 3.06Å
180A48.3Very low57.5Low88 Ų8899.4 Ų99.473%0.72759%0.591SS**  trans-68102.6166.400000110.5S182 L207A180-S182 PolarHBondContact O-N 3.08Å; A180-L207 WeakPolarHBondContact O-CD2 3.31Å
181A53.8Low59.7Low65 Ų6597 Ų9754%0.53758%0.576SS.*  trans-56.1133.9-178.300000112S179S179-A181 PolarHBondContact O-N 3.44Å
182S65.5Low62.8Low26 Ų2694.8 Ų94.818%0.18256%0.561CS.*EExtended strand (participates in β ladder)trans-87.2139.2177.167.40000110.3A180 L203 F208 L209 H210A180-S182 PolarHBondContact O-N 3.08Å; S182-L203 VanDerWaalsContact OG-CD2 3.3Å; S182-L203 WeakPolarHBondContact OG-CD2 3.48Å; S182-F208 PolarHBondContact N-O 2.91Å; S182-F208 PolarHBondContact OG-O 3.42Å; S182-L209 WeakPolarHBondContact OG-CA 3.37Å; S182-L209 WeakPolarHBondContact OG-CD1 3.48Å; S182-H210 PolarHBondContact O-N 2.03Å
183S69.4Low65.1Low97 Ų9790 Ų9068%0.67854%0.535SS*.EExtended strand (participates in β ladder)trans-127.2138.9175.660.60000111.8H210S183-H210 CarbonylContact C-O 3.55Å; S183-H210 WeakPolarHBondContact CA-O 3.39Å
184C78.2Confident68.1Low29 Ų2988 Ų8820%0.19652%0.516CS..EExtended strand (participates in β ladder)trans-122141.4175.4103.40000110.4L209 H210 C211 T212C184-L209 HydrophobicContact CB-CD1 4.36Å; C184-H210 PolarHBondContact N-O 3.39Å; C184-C211 HydrophobicContact CB-CB 4.29Å; C184-C211 WeakPolarHBondContact CB-SG 3.23Å; C184-C211 CarbonylContact O-C 3.46Å; C184-C211 WeakPolarHBondContact O-CA 3.35Å; C184-C211 VanDerWaalsContact SG-CA 3.58Å; C184-C211 WeakPolarHBondContact SG-CB 3.43Å; C184-C211 CovalentContact SG-SG 2.04Å; C184-C211 PolarHBondContact SG-SG 3.5Å; C184-T212 PolarHBondContact O-N 2.91Å
185M81.4Confident70.4Confident159 Ų15982.3 Ų82.378%0.78348%0.481SS*.EExtended strand (participates in β ladder)trans-132.6121.7174.2-70.9-177-71.300108.4T212M185-T212 WeakPolarHBondContact CA-O 3.32Å
186V84.8Confident72.8Confident37 Ų3775.4 Ų75.422%0.22445%0.45CS..EExtended strand (participates in β ladder)trans-126.7128.3-177.6-1750000107.6F188 T212 Y213 T214V186-F188 HydrophobicContact CB-CE2 4.31Å; V186-F188 HydrophobicContact CG1-CD2 4.38Å; V186-F188 HydrophobicContact CG1-CE1 4.39Å; V186-F188 HydrophobicContact CG1-CE2 3.64Å; V186-F188 HydrophobicContact CG1-CZ 3.66Å; V186-T212 PolarHBondContact N-O 3.5Å; V186-Y213 HydrophobicContact CB-CD1 3.82Å; V186-Y213 HydrophobicContact CB-CE1 4.42Å; V186-Y213 HydrophobicContact CG1-CD1 4.37Å; V186-Y213 HydrophobicContact CG2-CD1 4.02Å; V186-Y213 HydrophobicContact CG2-CE1 4.13Å; V186-Y213 CarbonylContact O-C 3.44Å; V186-Y213 VanDerWaalsContact O-CA 3.29Å; V186-Y213 WeakPolarHBondContact O-CA 3.2Å; V186-T214 PolarHBondContact O-N 3.28Å
187N89.6Confident74.8Confident120 Ų12071 Ų7164%0.64242%0.424SS*.EExtended strand (participates in β ladder)trans-119.1134-178-67.3-15.4000110.4T214N187-T214 CarbonylContact C-O 3.44Å; N187-T214 VanDerWaalsContact CA-O 3.28Å; N187-T214 WeakPolarHBondContact CA-O 3.22Å; N187-T214 VanDerWaalsContact OD1-CB 3.31Å; N187-T214 WeakPolarHBondContact OD1-CB 3.25Å; N187-T214 PolarHBondContact OD1-OG1 3.21Å; N187-T214 VanDerWaalsContact OD1-OG1 3.1Å
188F88.4Confident75.7Confident41 Ų4168.1 Ų68.118%0.1841%0.407CS..EExtended strand (participates in β ladder)trans-117.7144179.6-58.7-89.5000110.5V186 I195 Y213 T214 V215 T216 Y290V186-F188 HydrophobicContact CB-CE2 4.31Å; V186-F188 HydrophobicContact CG1-CD2 4.38Å; V186-F188 HydrophobicContact CG1-CE1 4.39Å; V186-F188 HydrophobicContact CG1-CE2 3.64Å; V186-F188 HydrophobicContact CG1-CZ 3.66Å; F188-I195 HydrophobicContact CD2-CG1 4.35Å; F188-I195 HydrophobicContact CE2-CD1 4.37Å; F188-I195 HydrophobicContact CE2-CG1 3.8Å; F188-I195 HydrophobicContact CZ-CG1 4.1Å; F188-Y213 HydrophobicContact CE2-CD1 4.18Å; F188-T214 PolarHBondContact N-O 3.21Å; F188-V215 HydrophobicContact CB-CG1 4.39Å; F188-V215 HydrophobicContact CB-CG2 4.23Å; F188-V215 HydrophobicContact CD2-CG2 4.16Å; F188-T216 PolarHBondContact O-N 2.88Å; F188-T216 PolarHBondContact O-OG1 2.7Å; F188-Y290 HydrophobicContact CB-CE1 4.43Å; F188-Y290 WeakPolarHBondContact CB-OH 3.35Å; F188-Y290 HydrophobicContact CD1-CE1 4.18Å; F188-Y290 WeakPolarHBondContact CD1-OH 3.3Å; F188-Y290 HydrophobicContact CG-CE1 4.18Å
189S88.6Confident76.8Confident88 Ų8868.4 Ų68.462%0.61541%0.409SS*.  trans-131.7-0.718054.60000114.5T216S189-T216 WeakPolarHBondContact CA-O 3.4Å
190D88.3Confident77.1Confident89 Ų8971.5 Ų71.548%0.47642%0.422SS..SBendtrans-76.6155.3-177.7-61.6-72.8000111.4E192D190-E192 VanDerWaalsContact C-N 3.25Å; D190-E192 PolarHBondContact O-N 2.79Å
191P85.1Confident77.2Confident67 Ų6772 Ų7244%0.43542%0.418SS..SBendtrans-71.5-20.6-178.929.5-35.8000113.2Q291 I292P191-Q291 CarbonylContact O-C 3.06Å; P191-Q291 WeakPolarHBondContact O-CA 3.36Å; P191-I292 HydrophobicContact CB-CD1 3.75Å; P191-I292 HydrophobicContact CB-CG1 3.96Å; P191-I292 HydrophobicContact CB-CG2 4.31Å; P191-I292 WeakPolarHBondContact O-CG1 3.37Å; P191-I292 PolarHBondContact O-N 3.09Å
192E91.8Very high77Confident107 Ų10774.6 Ų74.650%0.543%0.429SS..EExtended strand (participates in β ladder)trans-149.5147.3177.7-169.3-173.2164.900109.1D190 H289 Y290 Q291D190-E192 VanDerWaalsContact C-N 3.25Å; D190-E192 PolarHBondContact O-N 2.79Å; E192-H289 IonicContact OE1-CD2 2.7Å; E192-H289 IonicContact OE1-CE1 3.89Å; E192-H289 IonicContact OE1-NE2 2.68Å; E192-H289 PolarHBondContact OE1-NE2 2.86Å; E192-Y290 CarbonylContact C-O 3.56Å; E192-Y290 VanDerWaalsContact CA-O 3.29Å; E192-Y290 WeakPolarHBondContact CA-O 3.45Å; E192-Y290 WeakPolarHBondContact CG-O 3.35Å; E192-Q291 HydrophobicContact CG-CB 4.15Å
193G91Very high76.4Confident16 Ų1676.2 Ų76.217%0.16544%0.435CS..EExtended strand (participates in β ladder)trans-180-171172.800000113.4H289 Y290G193-H289 PolarHBondContact O-CD2 2.87Å; G193-Y290 VanDerWaalsContact CA-CZ 3.5Å; G193-Y290 PolarHBondContact N-O 3.02Å; G193-Y290 VanDerWaalsContact O-CD1 3.31Å; G193-Y290 WeakPolarHBondContact O-CD1 3.18Å; G193-Y290 PolarHBondContact O-N 2.92Å
194Y90.2Very high75.6Confident115 Ų11576 Ų7645%0.45143%0.431SS..EExtended strand (participates in β ladder)trans-124.9143179.8-69.6-103.2000109.9K228 Q287 L288 H289Y194-K228 HydrophobicContact CE1-CG 4.44Å; Y194-Q287 HydrophobicContact CD1-CG 4.25Å; Y194-L288 CarbonylContact C-O 3.5Å; Y194-L288 WeakPolarHBondContact CA-O 3.39Å; Y194-H289 HydrophobicContact CD1-CB 3.98Å; Y194-H289 HydrophobicContact CE1-CB 3.65Å; Y194-H289 AromaticContact CE1-CD2 3.82Å; Y194-H289 AromaticContact CE1-CG 3.87Å; Y194-H289 AromaticContact CE2-CD2 3.51Å; Y194-H289 AromaticContact CZ-CD2 3.35Å; Y194-H289 AromaticContact CZ-CG 3.78Å; Y194-H289 AromaticContact CZ-NE2 3.98Å
195I88.3Confident74.1Confident1 Ų182.3 Ų82.31%0.00546%0.463CS..EExtended strand (participates in β ladder)trans-112.3110.4168.6-58.1168.5000105.8F188 Y213 V215 V273 F286 L288 Y290F188-I195 HydrophobicContact CD2-CG1 4.35Å; F188-I195 HydrophobicContact CE2-CD1 4.37Å; F188-I195 HydrophobicContact CE2-CG1 3.8Å; F188-I195 HydrophobicContact CZ-CG1 4.1Å; I195-Y213 HydrophobicContact CG2-CD1 3.55Å; I195-Y213 HydrophobicContact CG2-CD2 4.07Å; I195-Y213 HydrophobicContact CG2-CE1 3.94Å; I195-Y213 HydrophobicContact CG2-CE2 4.44Å; I195-Y213 HydrophobicContact CG2-CG 3.61Å; I195-V215 HydrophobicContact CD1-CG2 3.85Å; I195-V273 HydrophobicContact CD1-CG2 3.94Å; I195-F286 HydrophobicContact CG2-CE2 4.23Å; I195-L288 HydrophobicContact CB-CB 4.4Å; I195-L288 PolarHBondContact N-O 2.86Å; I195-L288 PolarHBondContact O-N 2.8Å; I195-Y290 HydrophobicContact CD1-CD1 4.15Å; I195-Y290 HydrophobicContact CG1-CD1 3.9Å; I195-Y290 HydrophobicContact CG1-CE1 4.07Å
196D83.4Confident72.7Confident27 Ų2776.8 Ų76.814%0.14445%0.447CS..EExtended strand (participates in β ladder)trans-114.5144.2175.5-152-54.4000111.4S198 F286 Q287D196-S198 PolarHBondContact O-N 2.71Å; D196-S198 PolarHBondContact OD1-N 3.36Å; D196-S198 PolarHBondContact OD1-OG 3.05Å; D196-F286 WeakPolarHBondContact CA-O 3.45Å; D196-Q287 WeakPolarHBondContact OD2-CG 3.05Å; D196-Q287 PolarHBondContact OD2-NE2 2.7Å
197S74.7Confident71.4Confident16 Ų1677 Ų7711%0.11245%0.447CS..THydrogen-bonded Turntrans-53.7-27.4162.453.10000115D199 F286S197-D199 PolarHBondContact O-N 3.07Å; S197-F286 PolarHBondContact N-O 2.84Å; S197-F286 PolarHBondContact OG-N 2.9Å; S197-F286 PolarHBondContact OG-O 2.9Å
198S65.1Low70.1Confident75 Ų7573.8 Ų73.852%0.52443%0.427SS..THydrogen-bonded Turntrans-73.6-22.8-172.956.90000116.1D196 N200D196-S198 PolarHBondContact O-N 2.71Å; D196-S198 PolarHBondContact OD1-N 3.36Å; D196-S198 PolarHBondContact OD1-OG 3.05Å; S198-N200 VanDerWaalsContact C-N 3.3Å; S198-N200 PolarHBondContact O-N 2.64Å; S198-N200 VanDerWaalsContact O-N 3.12Å
199D61.5Low69.4Low125 Ų12572.9 Ų72.967%0.66842%0.424SS*.SBendtrans-91.428.1-155.4-735.3000114.9S197S197-D199 PolarHBondContact O-N 3.07Å
200N51.7Low69.2Low114 Ų11470.9 Ų70.961%0.6141%0.405SS*.SBendtrans-150.3154.2162-102.2-58.4000112.6S198S198-N200 VanDerWaalsContact C-N 3.3Å; S198-N200 PolarHBondContact O-N 2.64Å; S198-N200 VanDerWaalsContact O-N 3.12Å
201P50.8Low69Low99 Ų9966.8 Ų66.864%0.64338%0.383SS*.PPolyproline II helixtrans-77.3161.4-16331-36.1000114.7
202P49.4Very low69.1Low118 Ų11865.5 Ų65.577%0.76637%0.374SS*.PPolyproline II helixtrans-67.3149-17127.3-36.8000114.3
203L52.6Low68.9Low61 Ų6161.5 Ų61.532%0.31935%0.354SS..PPolyproline II helixtrans-86.2153.3175.2-76.1143.6000112S182 L209S182-L203 VanDerWaalsContact OG-CD2 3.3Å; S182-L203 WeakPolarHBondContact OG-CD2 3.48Å; L203-L209 HydrophobicContact CD1-CB 3.7Å; L203-L209 HydrophobicContact CD1-CD1 4.18Å; L203-L209 HydrophobicContact CD1-CD2 4Å; L203-L209 HydrophobicContact CD1-CG 4.17Å
204P53Low68.9Low91 Ų9162.2 Ų62.259%0.59136%0.356SS*.PPolyproline II helixtrans-71.9151.916832.5-34.7000111.4L207P204-L207 HydrophobicContact CG-CD1 4.11Å
205D47.5Very low68.9Low163 Ų16356.7 Ų56.787%0.87233%0.334SS*.THydrogen-bonded Turntrans-53.5135.5-172.9-52.7-58000113.5
206G51.1Low68.9Low43 Ų4359.7 Ų59.744%0.44335%0.352SS..THydrogen-bonded Turntrans87.514.9173.300000116.4S179S179-G206 WeakPolarHBondContact CB-O 3.06Å
207L57.3Low69.2Low42 Ų4258.9 Ų58.922%0.2235%0.348CS..  trans-114130.4171.5-60.1-173.7000112.2A180 P204A180-L207 WeakPolarHBondContact O-CD2 3.31Å; P204-L207 HydrophobicContact CG-CD1 4.11Å
208F62.9Low69.6Low52 Ų5263.8 Ų63.823%0.22837%0.365CS..  trans-76.6146.2170.8-55.5-108.9000110.7S182 P279S182-F208 PolarHBondContact N-O 2.91Å; S182-F208 PolarHBondContact OG-O 3.42Å; F208-P279 HydrophobicContact CE1-CB 3.59Å; F208-P279 HydrophobicContact CE1-CG 3.7Å; F208-P279 HydrophobicContact CZ-CB 3.76Å; F208-P279 HydrophobicContact CZ-CG 4.22Å
209L74.1Confident70.4Confident22 Ų2264.8 Ų64.812%0.11537%0.368CS..EExtended strand (participates in β ladder)trans-105.7133.2173.7-178.757.6000111.2S182 C184 L203 R276 S277 M283S182-L209 WeakPolarHBondContact OG-CA 3.37Å; S182-L209 WeakPolarHBondContact OG-CD1 3.48Å; C184-L209 HydrophobicContact CB-CD1 4.36Å; L203-L209 HydrophobicContact CD1-CB 3.7Å; L203-L209 HydrophobicContact CD1-CD1 4.18Å; L203-L209 HydrophobicContact CD1-CD2 4Å; L203-L209 HydrophobicContact CD1-CG 4.17Å; L209-R276 VanDerWaalsContact O-CA 3.31Å; L209-R276 WeakPolarHBondContact O-CA 3.46Å; L209-S277 PolarHBondContact N-OG 3Å; L209-S277 PolarHBondContact O-N 2.87Å; L209-M283 HydrophobicContact CD2-SD 4.25Å
210H83.1Confident71.1Confident45 Ų4559.4 Ų59.421%0.20834%0.343CS..EExtended strand (participates in β ladder)trans-122.399.1172.7-74.2-119000109.5S182 S183 C184 Y274 Y275 R276S182-H210 PolarHBondContact O-N 2.03Å; S183-H210 CarbonylContact C-O 3.55Å; S183-H210 WeakPolarHBondContact CA-O 3.39Å; C184-H210 PolarHBondContact N-O 3.39Å; H210-Y274 AromaticContact ND1-CZ 3.98Å; H210-Y274 PolarHBondContact ND1-OH 2.83Å; H210-Y275 CarbonylContact C-O 3.55Å; H210-R276 PolarHBondContact CE1-NE 2.91Å; H210-R276 PolarHBondContact NE2-NE 3.22Å
211C84.1Confident72.6Confident3 Ų357.4 Ų57.42%0.0233%0.327CS..EExtended strand (participates in β ladder)trans-103.3138.8-178.2-86.40000112.2C184 Y213 Y274 Y275C184-C211 HydrophobicContact CB-CB 4.29Å; C184-C211 WeakPolarHBondContact CB-SG 3.23Å; C184-C211 CarbonylContact O-C 3.46Å; C184-C211 WeakPolarHBondContact O-CA 3.35Å; C184-C211 VanDerWaalsContact SG-CA 3.58Å; C184-C211 WeakPolarHBondContact SG-CB 3.43Å; C184-C211 CovalentContact SG-SG 2.04Å; C184-C211 PolarHBondContact SG-SG 3.5Å; C211-Y213 HydrophobicContact CB-CD2 4.33Å; C211-Y213 HydrophobicContact CB-CE2 3.6Å; C211-Y274 WeakPolarHBondContact O-CA 3.21Å; C211-Y275 PolarHBondContact N-O 2.88Å; C211-Y275 PolarHBondContact O-N 2.85Å
212T86.8Confident74.3Confident41 Ų4152.7 Ų52.725%0.25230%0.296SS..EExtended strand (participates in β ladder)trans-126.4113.8170.5-54.80000109.7C184 M185 V186 V273C184-T212 PolarHBondContact O-N 2.91Å; M185-T212 WeakPolarHBondContact CA-O 3.32Å; V186-T212 PolarHBondContact N-O 3.5Å; T212-V273 WeakPolarHBondContact CA-O 3.29Å
213Y89.3Confident76.2Confident22 Ų2247.1 Ų47.19%0.08626%0.26CS..EExtended strand (participates in β ladder)trans-101.1116.5177-53.4-99000108.3V186 F188 I195 C211 S272 V273 F286V186-Y213 HydrophobicContact CB-CD1 3.82Å; V186-Y213 HydrophobicContact CB-CE1 4.42Å; V186-Y213 HydrophobicContact CG1-CD1 4.37Å; V186-Y213 HydrophobicContact CG2-CD1 4.02Å; V186-Y213 HydrophobicContact CG2-CE1 4.13Å; V186-Y213 CarbonylContact O-C 3.44Å; V186-Y213 VanDerWaalsContact O-CA 3.29Å; V186-Y213 WeakPolarHBondContact O-CA 3.2Å; F188-Y213 HydrophobicContact CE2-CD1 4.18Å; I195-Y213 HydrophobicContact CG2-CD1 3.55Å; I195-Y213 HydrophobicContact CG2-CD2 4.07Å; I195-Y213 HydrophobicContact CG2-CE1 3.94Å; I195-Y213 HydrophobicContact CG2-CE2 4.44Å; I195-Y213 HydrophobicContact CG2-CG 3.61Å; C211-Y213 HydrophobicContact CB-CD2 4.33Å; C211-Y213 HydrophobicContact CB-CE2 3.6Å; Y213-S272 CarbonylContact O-C 3.59Å; Y213-S272 VanDerWaalsContact O-CA 3.27Å; Y213-S272 WeakPolarHBondContact O-CA 3.27Å; Y213-V273 HydrophobicContact CD2-CB 4.41Å; Y213-V273 PolarHBondContact N-O 3.1Å; Y213-V273 PolarHBondContact O-N 2.87Å; Y213-F286 HydrophobicContact CE2-CE2 4.08Å; Y213-F286 AromaticContact CE2-CZ 3.79Å; Y213-F286 HydrophobicContact CE2-CZ 3.79Å
214T89.3Confident78Confident31 Ų3145.1 Ų45.119%0.1925%0.249CC..EExtended strand (participates in β ladder)trans-109124.3-178.4-35.90000110.2V186 N187 F188 T216 L271V186-T214 PolarHBondContact O-N 3.28Å; N187-T214 CarbonylContact C-O 3.44Å; N187-T214 VanDerWaalsContact CA-O 3.28Å; N187-T214 WeakPolarHBondContact CA-O 3.22Å; N187-T214 VanDerWaalsContact OD1-CB 3.31Å; N187-T214 WeakPolarHBondContact OD1-CB 3.25Å; N187-T214 PolarHBondContact OD1-OG1 3.21Å; N187-T214 VanDerWaalsContact OD1-OG1 3.1Å; F188-T214 PolarHBondContact N-O 3.21Å; T214-T216 HydrophobicContact CG2-CG2 4.05Å; T214-L271 CarbonylContact C-O 3.45Å; T214-L271 WeakPolarHBondContact CA-O 3.33Å
215V90.8Very high79.9Confident0 Ų040.8 Ų40.80%022%0.221CC..EExtended strand (participates in β ladder)trans-104118.6171.2-172.70000107.9F188 I195 V217 V223 S270 L271 Y290F188-V215 HydrophobicContact CB-CG1 4.39Å; F188-V215 HydrophobicContact CB-CG2 4.23Å; F188-V215 HydrophobicContact CD2-CG2 4.16Å; I195-V215 HydrophobicContact CD1-CG2 3.85Å; V215-V217 HydrophobicContact CG1-CG1 4.19Å; V215-V223 HydrophobicContact CB-CG1 4.06Å; V215-V223 HydrophobicContact CB-CG2 3.95Å; V215-V223 HydrophobicContact CG1-CB 4.44Å; V215-V223 HydrophobicContact CG1-CG1 3.87Å; V215-V223 HydrophobicContact CG1-CG2 3.65Å; V215-S270 WeakPolarHBondContact O-CA 3.28Å; V215-L271 PolarHBondContact N-O 2.98Å; V215-L271 PolarHBondContact O-N 2.97Å; V215-Y290 HydrophobicContact CG1-CD2 3.63Å; V215-Y290 HydrophobicContact CG1-CE2 3.71Å; V215-Y290 HydrophobicContact CG1-CG 4.23Å; V215-Y290 HydrophobicContact CG2-CD1 4.1Å; V215-Y290 HydrophobicContact CG2-CD2 4.31Å; V215-Y290 HydrophobicContact CG2-CE1 4.3Å; V215-Y290 HydrophobicContact CG2-CG 4.11Å
216T88.8Confident81.9Confident63 Ų6335.8 Ų35.839%0.38719%0.193SC..EExtended strand (participates in β ladder)trans-122.3114.7179.352.10000110.5F188 S189 T214F188-T216 PolarHBondContact O-N 2.88Å; F188-T216 PolarHBondContact O-OG1 2.7Å; S189-T216 WeakPolarHBondContact CA-O 3.4Å; T214-T216 HydrophobicContact CG2-CG2 4.05Å
217V88.5Confident83.8Confident10 Ų1033.8 Ų33.86%0.06117%0.172CC..  trans-109.6170.5-176-61.50000111.4V215 Y221 V223 N269 I292V215-V217 HydrophobicContact CG1-CG1 4.19Å; V217-Y221 WeakPolarHBondContact CG2-O 3.26Å; V217-V223 HydrophobicContact CG1-CG2 3.96Å; V217-V223 HydrophobicContact CG2-CG2 3.99Å; V217-N269 HydrophobicContact CG2-CB 4.22Å; V217-N269 PolarHBondContact N-O 3.3Å; V217-N269 PolarHBondContact O-ND2 3.44Å; V217-I292 HydrophobicContact CB-CG2 3.87Å; V217-I292 HydrophobicContact CG1-CG2 3.63Å; V217-I292 HydrophobicContact CG2-CG2 4.24Å
218Y84.3Confident85.2Confident119 Ų11934.7 Ų34.747%0.46717%0.174SC..  trans-72.5156.5-176.656-85.7000112.6Y221 I292Y218-Y221 AromaticContact CD2-CD2 3.62Å; Y218-Y221 HydrophobicContact CD2-CD2 3.62Å; Y218-Y221 HydrophobicContact CD2-CE2 4.15Å; Y218-Y221 HydrophobicContact CD2-CG 4.32Å; Y218-Y221 HydrophobicContact CE2-CD1 4.46Å; Y218-Y221 AromaticContact CE2-CD2 3.17Å; Y218-Y221 HydrophobicContact CE2-CD2 3.17Å; Y218-Y221 AromaticContact CE2-CE2 3.4Å; Y218-Y221 HydrophobicContact CE2-CE2 3.4Å; Y218-Y221 VanDerWaalsContact CE2-CE2 3.4Å; Y218-Y221 AromaticContact CE2-CG 3.78Å; Y218-Y221 HydrophobicContact CE2-CG 3.78Å; Y218-Y221 AromaticContact CZ-CD2 3.93Å; Y218-Y221 PolarHBondContact O-N 2.93Å; Y218-I292 HydrophobicContact CE1-CD1 4.15Å; Y218-I292 WeakPolarHBondContact OH-CD1 3.4Å
219T81Confident86.3Confident96 Ų9635.7 Ų35.759%0.58918%0.182SC*.THydrogen-bonded Turntrans-65.2147.2-173.150.60000112.6Y221T219-Y221 VanDerWaalsContact C-N 3.29Å
220G76.5Confident86.8Confident13 Ų1336.5 Ų36.513%0.13419%0.188CC..THydrogen-bonded Turntrans87-8.5-167.700000114.1L295 A340G220-L295 PolarHBondContact O-N 2.94Å; G220-A340 WeakPolarHBondContact CA-O 3.11Å; G220-A340 PolarHBondContact N-O 2.87Å
221Y83.8Confident86.8Confident71 Ų7139.7 Ų39.728%0.27821%0.206SC..EExtended strand (participates in β ladder)trans-129.9151.2-178.5-66.1-102.1000111V217 Y218 T219 N269 I292 F293 R294 L295V217-Y221 WeakPolarHBondContact CG2-O 3.26Å; Y218-Y221 AromaticContact CD2-CD2 3.62Å; Y218-Y221 HydrophobicContact CD2-CD2 3.62Å; Y218-Y221 HydrophobicContact CD2-CE2 4.15Å; Y218-Y221 HydrophobicContact CD2-CG 4.32Å; Y218-Y221 HydrophobicContact CE2-CD1 4.46Å; Y218-Y221 AromaticContact CE2-CD2 3.17Å; Y218-Y221 HydrophobicContact CE2-CD2 3.17Å; Y218-Y221 AromaticContact CE2-CE2 3.4Å; Y218-Y221 HydrophobicContact CE2-CE2 3.4Å; Y218-Y221 VanDerWaalsContact CE2-CE2 3.4Å; Y218-Y221 AromaticContact CE2-CG 3.78Å; Y218-Y221 HydrophobicContact CE2-CG 3.78Å; Y218-Y221 AromaticContact CZ-CD2 3.93Å; Y218-Y221 PolarHBondContact O-N 2.93Å; T219-Y221 VanDerWaalsContact C-N 3.29Å; Y221-N269 VanDerWaalsContact O-CA 3.24Å; Y221-N269 WeakPolarHBondContact O-CA 3.35Å; Y221-N269 WeakPolarHBondContact O-CB 3.45Å; Y221-I292 HydrophobicContact CD1-CB 4.28Å; Y221-I292 HydrophobicContact CD1-CD1 4.24Å; Y221-F293 CarbonylContact C-O 3.5Å; Y221-F293 WeakPolarHBondContact CA-O 3.49Å; Y221-F293 WeakPolarHBondContact CB-O 3.25Å; Y221-F293 WeakPolarHBondContact CD1-O 3.35Å; Y221-R294 HydrophobicContact CD1-CB 4.22Å; Y221-R294 HydrophobicContact CE1-CB 4.03Å; Y221-R294 HydrophobicContact CE1-CG 4.16Å; Y221-L295 VanDerWaalsContact O-CD1 3.3Å; Y221-L295 WeakPolarHBondContact O-CD1 3.3Å
222G87Confident86.6Confident0 Ų041.4 Ų41.40%022%0.215CC..EExtended strand (participates in β ladder)trans-124.5174.4177.800000110I292 F293G222-I292 WeakPolarHBondContact O-CA 3.33Å; G222-F293 VanDerWaalsContact C-CD1 3.47Å; G222-F293 PolarHBondContact N-O 3.36Å; G222-F293 WeakPolarHBondContact O-CD1 3.47Å; G222-F293 PolarHBondContact O-N 3.18Å
223V89.4Confident86.1Confident1 Ų142.6 Ų42.61%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-99.6119-179.6-172.90000108.6V215 V217 S266 L271V215-V223 HydrophobicContact CB-CG1 4.06Å; V215-V223 HydrophobicContact CB-CG2 3.95Å; V215-V223 HydrophobicContact CG1-CB 4.44Å; V215-V223 HydrophobicContact CG1-CG1 3.87Å; V215-V223 HydrophobicContact CG1-CG2 3.65Å; V217-V223 HydrophobicContact CG1-CG2 3.96Å; V217-V223 HydrophobicContact CG2-CG2 3.99Å; V223-S266 PolarHBondContact N-OG 3.36Å; V223-S266 PolarHBondContact O-N 3.35Å; V223-S266 PolarHBondContact O-OG 3.44Å; V223-L271 HydrophobicContact CB-CB 3.77Å; V223-L271 HydrophobicContact CB-CD1 4.41Å; V223-L271 HydrophobicContact CG1-CB 4.12Å; V223-L271 HydrophobicContact CG1-CD1 4.47Å; V223-L271 HydrophobicContact CG1-CD2 4.45Å; V223-L271 HydrophobicContact CG2-CB 4.05Å
224E90.3Very high85.2Confident19 Ų1950.3 Ų50.39%0.08927%0.265CS..EExtended strand (participates in β ladder)trans-95.1129.1164.3-178.2174.79600107.8V263 R265 Y290 Q291 F293E224-V263 VanDerWaalsContact CD-CG1 3.45Å; E224-V263 HydrophobicContact CG-CG1 3.32Å; E224-R265 HydrophobicContact CB-CG 4.2Å; E224-R265 HydrophobicContact CG-CG 4.04Å; E224-R265 IonicContact OE2-CZ 3.97Å; E224-R265 IonicContact OE2-NE 3.87Å; E224-R265 PolarHBondContact OE2-NE 3.34Å; E224-R265 IonicContact OE2-NH2 3.36Å; E224-R265 PolarHBondContact OE2-NH2 2.87Å; E224-Y290 CarbonylContact O-C 3.57Å; E224-Y290 VanDerWaalsContact O-CA 3.25Å; E224-Y290 WeakPolarHBondContact O-CA 3.31Å; E224-Q291 HydrophobicContact CB-CG 4.15Å; E224-Q291 PolarHBondContact N-O 3.19Å; E224-Q291 PolarHBondContact O-N 3.3Å; E224-Q291 PolarHBondContact OE1-NE2 3.47Å; E224-F293 HydrophobicContact CB-CB 4.25Å; E224-F293 HydrophobicContact CB-CD1 3.89Å; E224-F293 HydrophobicContact CB-CG 4.4Å
225L91.1Very high84.3Confident0 Ų051.9 Ų51.90%028%0.277CS..EExtended strand (participates in β ladder)trans-122.4118.4-178.8-176.9160.6000109.1V227 I240 V263 I264 L271 V273 L288 H289L225-V227 HydrophobicContact CD2-CG2 4.47Å; L225-I240 HydrophobicContact CD1-CD1 4.08Å; L225-I240 HydrophobicContact CD2-CD1 3.66Å; L225-I240 HydrophobicContact CG-CD1 4.49Å; L225-V263 WeakPolarHBondContact O-CA 3.4Å; L225-I264 PolarHBondContact N-O 3.31Å; L225-I264 PolarHBondContact O-N 2.92Å; L225-L271 HydrophobicContact CD1-CD2 3.69Å; L225-V273 HydrophobicContact CD1-CG2 3.69Å; L225-L288 HydrophobicContact CD1-CB 4.16Å; L225-L288 HydrophobicContact CD1-CD1 4.18Å; L225-L288 HydrophobicContact CD2-CB 3.9Å; L225-L288 HydrophobicContact CD2-CD1 4.29Å; L225-L288 HydrophobicContact CD2-CD2 4.07Å; L225-L288 HydrophobicContact CD2-CG 4.3Å; L225-L288 HydrophobicContact CG-CB 4.1Å; L225-H289 CarbonylContact C-O 3.6Å; L225-H289 VanDerWaalsContact CA-O 3.31Å; L225-H289 WeakPolarHBondContact CA-O 3.24Å
226Q90.6Very high83.8Confident58 Ų5852 Ų5227%0.27128%0.278SS..EExtended strand (participates in β ladder)trans-97.9128.4172.3-17417353.700110.9K228 G261 Q262 V263 H289Q226-K228 PolarHBondContact O-N 2.63Å; Q226-G261 PolarHBondContact NE2-O 2.93Å; Q226-Q262 WeakPolarHBondContact CA-O 3.43Å; Q226-V263 HydrophobicContact CB-CG2 4.22Å; Q226-V263 HydrophobicContact CG-CG2 4.06Å; Q226-H289 PolarHBondContact N-O 3.18Å; Q226-H289 PolarHBondContact O-N 3.01Å
227V90Very high83.5Confident1 Ų152.5 Ų52.51%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-72.7114.7172.5-175.50000108.9L225 V230 L258 V259 G261 Q262 L288L225-V227 HydrophobicContact CD2-CG2 4.47Å; V227-V230 HydrophobicContact CG1-CB 4.46Å; V227-V230 HydrophobicContact CG1-CG2 3.58Å; V227-L258 HydrophobicContact CG2-CD2 4.06Å; V227-V259 WeakPolarHBondContact CB-O 3.35Å; V227-V259 WeakPolarHBondContact CG1-O 3.46Å; V227-G261 PolarHBondContact O-N 3.12Å; V227-Q262 HydrophobicContact CB-CB 4.48Å; V227-Q262 HydrophobicContact CG2-CB 4.24Å; V227-Q262 PolarHBondContact N-O 2.82Å; V227-L288 HydrophobicContact CB-CD2 4.39Å; V227-L288 HydrophobicContact CG1-CD2 4.22Å; V227-L288 HydrophobicContact CG2-CD2 4.24Å
228K88.4Confident83.5Confident62 Ų6252 Ų5227%0.2727%0.273SS..EExtended strand (participates in β ladder)trans-94.3-43175.8-59.9-66-169.5-1740111.8Y194 Q226 E260 Q287 H289Y194-K228 HydrophobicContact CE1-CG 4.44Å; Q226-K228 PolarHBondContact O-N 2.63Å; K228-E260 WeakPolarHBondContact O-CG 3.37Å; K228-Q287 HydrophobicContact CB-CG 4.39Å; K228-Q287 WeakPolarHBondContact CB-O 3.34Å; K228-Q287 PolarHBondContact N-O 3.22Å; K228-H289 HydrophobicContact CD-CB 4.2Å; K228-H289 WeakPolarHBondContact CE-ND1 3.41Å; K228-H289 HydrophobicContact CG-CB 3.87Å; K228-H289 PolarHBondContact NZ-ND1 3.49Å
229N85.4Confident83.7Confident73 Ų7346.5 Ų46.539%0.3925%0.251SS..EExtended strand (participates in β ladder)trans-154.9137.4176.6-174.42.2000109.3F286 Q287N229-F286 CarbonylContact O-C 3.59Å; N229-F286 WeakPolarHBondContact O-CA 3.33Å; N229-Q287 HydrophobicContact CB-CB 4.43Å; N229-Q287 PolarHBondContact N-O 2.68Å; N229-Q287 PolarHBondContact O-N 2.98Å
230V84.9Confident84.1Confident39 Ų3941.9 Ų41.924%0.23622%0.223CC..EExtended strand (participates in β ladder)trans-143.5118.7173.7174.20000108.1V227 L232 L238 F286 L288V227-V230 HydrophobicContact CG1-CB 4.46Å; V227-V230 HydrophobicContact CG1-CG2 3.58Å; V230-L232 HydrophobicContact CG1-CD1 3.7Å; V230-L232 HydrophobicContact CG1-CG 3.7Å; V230-L238 HydrophobicContact CG1-CD2 4.24Å; V230-L238 HydrophobicContact CG2-CD2 4.19Å; V230-F286 HydrophobicContact CG2-CB 4.15Å; V230-L288 HydrophobicContact CG2-CD2 4.17Å
231N82.4Confident84.7Confident112 Ų11244 Ų4460%0.59923%0.227SC*.EExtended strand (participates in β ladder)trans-136.694.4179.5-177.919.8000108.8G284 L285N231-G284 CarbonylContact O-C 3.48Å; N231-G284 WeakPolarHBondContact O-CA 3.35Å; N231-L285 HydrophobicContact CB-CB 4.39Å; N231-L285 PolarHBondContact N-O 3.2Å; N231-L285 PolarHBondContact O-N 2.8Å
232L79.9Confident84.7Confident39 Ų3940.7 Ų40.720%0.20421%0.214CC..  trans-120.6150.6-172.9-55.6175.7000110.2V230 E236 L238 H255 Y275 F286V230-L232 HydrophobicContact CG1-CD1 3.7Å; V230-L232 HydrophobicContact CG1-CG 3.7Å; L232-E236 HydrophobicContact CB-CB 4.31Å; L232-L238 HydrophobicContact CD1-CB 3.54Å; L232-L238 HydrophobicContact CD1-CD2 4.16Å; L232-H255 HydrophobicContact CD1-CB 4.14Å; L232-Y275 HydrophobicContact CD2-CE2 4.04Å; L232-F286 HydrophobicContact CD2-CD1 4.41Å
233T76.4Confident84.5Confident65 Ų6542.7 Ų42.740%0.39923%0.226SC..  trans-83.3161.117065.50000111.7S235 E236T233-S235 PolarHBondContact O-N 2.79Å; T233-S235 PolarHBondContact OG1-OG 2.88Å; T233-E236 WeakPolarHBondContact CB-OE2 3.21Å; T233-E236 WeakPolarHBondContact CG2-OE2 3.39Å; T233-E236 PolarHBondContact N-OE2 3.38Å; T233-E236 PolarHBondContact O-N 2.64Å; T233-E236 WeakPolarHBondContact OG1-CG 3.43Å; T233-E236 PolarHBondContact OG1-OE2 2.82Å
234D70.2Confident83.7Confident184 Ų18444.7 Ų44.798%0.98424%0.237SC*.THydrogen-bonded Turntrans-58.3-11176.8-60.6-43.2000114.5
235S71.6Confident82.4Confident64 Ų6449.1 Ų49.145%0.44826%0.261SS..THydrogen-bonded Turntrans-103.5-1.6-18070.30000114.4T233 A278T233-S235 PolarHBondContact O-N 2.79Å; T233-S235 PolarHBondContact OG1-OG 2.88Å; S235-A278 WeakPolarHBondContact OG-CB 3.27Å
236E78.4Confident81.2Confident4 Ų457 Ų572%0.01930%0.298CS..  trans-104.8144.5-178.4-75.4163.2150.900111.1L232 T233 Y275 R276 A278 S282 G284L232-E236 HydrophobicContact CB-CB 4.31Å; T233-E236 WeakPolarHBondContact CB-OE2 3.21Å; T233-E236 WeakPolarHBondContact CG2-OE2 3.39Å; T233-E236 PolarHBondContact N-OE2 3.38Å; T233-E236 PolarHBondContact O-N 2.64Å; T233-E236 WeakPolarHBondContact OG1-CG 3.43Å; T233-E236 PolarHBondContact OG1-OE2 2.82Å; E236-Y275 HydrophobicContact CB-CE2 4.38Å; E236-Y275 PolarHBondContact OE1-OH 2.78Å; E236-R276 WeakPolarHBondContact CA-O 3.5Å; E236-A278 HydrophobicContact CG-CB 3.89Å; E236-A278 VanDerWaalsContact CG-N 3.31Å; E236-S282 PolarHBondContact OE1-OG 2.88Å; E236-G284 PolarHBondContact OE1-N 2.83Å
237Q83.5Confident80Confident73 Ų7356.9 Ų56.934%0.34131%0.312SS..EExtended strand (participates in β ladder)trans-126110.7-176.6-169.7-175.815.400111.5Y275 R276Q237-Y275 CarbonylContact O-C 3.54Å; Q237-Y275 WeakPolarHBondContact O-CA 3.49Å; Q237-R276 HydrophobicContact CB-CB 4.23Å; Q237-R276 PolarHBondContact N-O 2.9Å; Q237-R276 PolarHBondContact O-N 2.85Å
238L87.8Confident79.2Confident0 Ų059.4 Ų59.40%033%0.333CS..EExtended strand (participates in β ladder)trans-103.7132.9166.6-170.862.1000109.5V230 L232 N254 H255 L258 V273 Y275 F286V230-L238 HydrophobicContact CG1-CD2 4.24Å; V230-L238 HydrophobicContact CG2-CD2 4.19Å; L232-L238 HydrophobicContact CD1-CB 3.54Å; L232-L238 HydrophobicContact CD1-CD2 4.16Å; L238-N254 CarbonylContact O-C 3.57Å; L238-N254 PolarHBondContact O-OD1 3.32Å; L238-H255 HydrophobicContact CB-CB 4.5Å; L238-H255 PolarHBondContact O-N 3.02Å; L238-L258 HydrophobicContact CB-CD1 4.27Å; L238-L258 HydrophobicContact CD2-CD1 3.66Å; L238-L258 HydrophobicContact CG-CD1 3.83Å; L238-V273 HydrophobicContact CD1-CG1 3.54Å; L238-Y275 HydrophobicContact CB-CD2 4.44Å; L238-Y275 HydrophobicContact CD1-CD2 4.16Å; L238-Y275 HydrophobicContact CD1-CG 4.48Å; L238-F286 HydrophobicContact CD1-CD1 4.46Å; L238-F286 HydrophobicContact CD1-CD2 4.44Å; L238-F286 HydrophobicContact CD1-CE2 4.49Å; L238-F286 HydrophobicContact CD1-CG 4.44Å; L238-F286 HydrophobicContact CD2-CB 4.01Å; L238-F286 HydrophobicContact CD2-CD1 4.49Å; L238-F286 HydrophobicContact CD2-CG 4.1Å
239S89Confident78.7Confident2 Ų261.2 Ų61.21%0.01435%0.349CS..EExtended strand (participates in β ladder)trans-145.9132.1175.960.60000111.1R241 A253 Y274S239-R241 PolarHBondContact OG-NE 3.18Å; S239-R241 VanDerWaalsContact OG-NE 3.08Å; S239-R241 PolarHBondContact OG-NH2 2.95Å; S239-A253 CarbonylContact C-O 3.52Å; S239-A253 WeakPolarHBondContact CA-O 3.38Å; S239-Y274 PolarHBondContact N-O 3.47Å; S239-Y274 PolarHBondContact O-N 2.92Å
240I89.8Confident78.5Confident0 Ų061.4 Ų61.40%035%0.35CS..EExtended strand (participates in β ladder)trans-100.4128.5178.7-61179.4000107.8L225 L252 A253 L258 I264 L271 V273 L288L225-I240 HydrophobicContact CD1-CD1 4.08Å; L225-I240 HydrophobicContact CD2-CD1 3.66Å; L225-I240 HydrophobicContact CG-CD1 4.49Å; I240-L252 PolarHBondContact O-N 2.78Å; I240-A253 HydrophobicContact CB-CB 4.41Å; I240-A253 PolarHBondContact N-O 2.9Å; I240-A253 PolarHBondContact O-N 2.8Å; I240-A253 VanDerWaalsContact O-N 3.14Å; I240-L258 HydrophobicContact CD1-CD2 3.8Å; I240-L258 HydrophobicContact CG1-CD2 4.47Å; I240-I264 HydrophobicContact CD1-CD1 3.8Å; I240-I264 HydrophobicContact CG2-CG2 4.09Å; I240-L271 HydrophobicContact CG2-CD1 3.87Å; I240-L271 HydrophobicContact CG2-CD2 4.11Å; I240-L271 HydrophobicContact CG2-CG 4.09Å; I240-V273 HydrophobicContact CG1-CG1 4.37Å; I240-V273 HydrophobicContact CG1-CG2 4.32Å; I240-L288 HydrophobicContact CD1-CD1 4.45Å
241R88.8Confident78.5Confident58 Ų5863.5 Ų63.522%0.21936%0.363CS..EExtended strand (participates in β ladder)trans-133.4125.1-168.3-51.8178.4-173175.41.1110.9S239 L250 V251 S272 Y274S239-R241 PolarHBondContact OG-NE 3.18Å; S239-R241 VanDerWaalsContact OG-NE 3.08Å; S239-R241 PolarHBondContact OG-NH2 2.95Å; R241-L250 CarbonylContact C-O 3.56Å; R241-L250 WeakPolarHBondContact CA-O 3.32Å; R241-V251 HydrophobicContact CG-CG2 4.32Å; R241-S272 PolarHBondContact N-O 2.86Å; R241-S272 PolarHBondContact O-N 2.89Å; R241-S272 PolarHBondContact O-OG 2.92Å; R241-Y274 VanDerWaalsContact CZ-CG 3.5Å
242G84.9Confident78.5Confident0 Ų060.8 Ų60.80%035%0.348CS..EExtended strand (participates in β ladder)trans-93-175.2168.800000111.8L250G242-L250 PolarHBondContact N-O 3.22Å; G242-L250 PolarHBondContact O-N 3.41Å
243V82.9Confident78.6Confident43 Ų4359.1 Ų59.126%0.26134%0.34SS..EExtended strand (participates in β ladder)trans-111.7132.3170.4-173.80000108.5A248 P267 T268V243-A248 WeakPolarHBondContact CA-O 3.48Å; V243-P267 WeakPolarHBondContact O-CG 3.29Å; V243-T268 WeakPolarHBondContact O-CG2 3.42Å; V243-T268 PolarHBondContact O-OG1 2.81Å
244D71Confident78.9Confident43 Ų4358.3 Ų58.323%0.2333%0.333CS..  trans-82.9-172.2178.86626.2000113.9Q246 G247 A248 L250D244-Q246 PolarHBondContact O-N 2.61Å; D244-Q246 WeakPolarHBondContact OD1-CA 3.48Å; D244-Q246 PolarHBondContact OD1-N 2.88Å; D244-G247 PolarHBondContact O-N 2.91Å; D244-G247 PolarHBondContact OD1-N 2.7Å; D244-A248 PolarHBondContact N-O 2.91Å; D244-A248 PolarHBondContact OD1-N 3.29Å; D244-A248 WeakPolarHBondContact OD2-CB 3.02Å; D244-L250 HydrophobicContact CB-CB 4.34Å
245D64.1Low78.9Confident112 Ų11253.1 Ų53.160%0.59930%0.303SS*.THydrogen-bonded Turntrans-67.3-17.6-179.865.1-55.8000114.2L342D245-L342 HydrophobicContact CB-CD2 3.88Å
246Q64.6Low78.8Confident166 Ų16655 Ų5578%0.77631%0.312SS*.THydrogen-bonded Turntrans-107.5-1.2-178.1-71.4163.461.500112.5D244D244-Q246 PolarHBondContact O-N 2.61Å; D244-Q246 WeakPolarHBondContact OD1-CA 3.48Å; D244-Q246 PolarHBondContact OD1-N 2.88Å
247G65.9Low78.1Confident55 Ų5560 Ų6057%0.56734%0.338SS*.SBendtrans87.69.3179.600000114.5D244D244-G247 PolarHBondContact O-N 2.91Å; D244-G247 PolarHBondContact OD1-N 2.7Å
248A74.3Confident77.8Confident53 Ų5357.3 Ų57.344%0.43833%0.326SS..  trans-90.4164.1176.500000111.9V243 D244 L250V243-A248 WeakPolarHBondContact CA-O 3.48Å; D244-A248 PolarHBondContact N-O 2.91Å; D244-A248 PolarHBondContact OD1-N 3.29Å; D244-A248 WeakPolarHBondContact OD2-CB 3.02Å; A248-L250 PolarHBondContact O-N 2.9Å
249T77.1Confident77.4Confident100 Ų10062.1 Ų62.161%0.61336%0.355SS*.EExtended strand (participates in β ladder)trans-85.8105.2-172.653.40000111.9
250L82.1Confident77Confident78 Ų7869.3 Ų69.341%0.40839%0.388SS..EExtended strand (participates in β ladder)trans-86.7121176.4176.562.5000110.6R241 G242 D244 A248 L252R241-L250 CarbonylContact C-O 3.56Å; R241-L250 WeakPolarHBondContact CA-O 3.32Å; G242-L250 PolarHBondContact N-O 3.22Å; G242-L250 PolarHBondContact O-N 3.41Å; D244-L250 HydrophobicContact CB-CB 4.34Å; A248-L250 PolarHBondContact O-N 2.9Å; L250-L252 HydrophobicContact CD2-CD2 3.9Å; L250-L252 HydrophobicContact CG-CD2 4.09Å; L250-L252 PolarHBondContact O-N 3.19Å
251V83.8Confident76.5Confident82 Ų8271.2 Ų71.250%0.49741%0.408SS..EExtended strand (participates in β ladder)trans-74.1114.4172.3-175.90000109.1R241 A253R241-V251 HydrophobicContact CG-CG2 4.32Å; V251-A253 WeakPolarHBondContact CG1-O 3.34Å
252L82.7Confident76.2Confident55 Ų5571.5 Ų71.529%0.28841%0.412SS..EExtended strand (participates in β ladder)trans-87.5-35.5178.6-59175000111.5I240 L250 I264 L271I240-L252 PolarHBondContact O-N 2.78Å; L250-L252 HydrophobicContact CD2-CD2 3.9Å; L250-L252 HydrophobicContact CG-CD2 4.09Å; L250-L252 PolarHBondContact O-N 3.19Å; L252-I264 HydrophobicContact CB-CG2 4Å; L252-I264 HydrophobicContact CD1-CG2 4.22Å; L252-L271 HydrophobicContact CD1-CD1 4.33Å
253A82.4Confident76.3Confident5 Ų574.6 Ų74.64%0.04143%0.43CS..EExtended strand (participates in β ladder)trans-152.3157.7173.600000111.3S239 I240 V251 L258 I264S239-A253 CarbonylContact C-O 3.52Å; S239-A253 WeakPolarHBondContact CA-O 3.38Å; I240-A253 HydrophobicContact CB-CB 4.41Å; I240-A253 PolarHBondContact N-O 2.9Å; I240-A253 PolarHBondContact O-N 2.8Å; I240-A253 VanDerWaalsContact O-N 3.14Å; V251-A253 WeakPolarHBondContact CG1-O 3.34Å; A253-L258 HydrophobicContact CB-CD2 3.73Å; A253-L258 HydrophobicContact CB-CG 4.44Å; A253-I264 HydrophobicContact CB-CD1 3.55Å; A253-I264 HydrophobicContact CB-CG1 4.5Å
254N82.1Confident76.4Confident48 Ų4873.2 Ų73.226%0.25742%0.422SS..EExtended strand (participates in β ladder)trans-130.5161.3176.1-168.922.3000108.1L238 T256 L257L238-N254 CarbonylContact O-C 3.57Å; L238-N254 PolarHBondContact O-OD1 3.32Å; N254-T256 PolarHBondContact O-N 2.91Å; N254-L257 CarbonylContact O-C 3.49Å; N254-L257 WeakPolarHBondContact O-CA 3.24Å; N254-L257 PolarHBondContact O-N 2.68Å
255H71.3Confident77.2Confident75 Ų7578.3 Ų78.335%0.34744%0.438SS..G310 helixtrans-45.7-34.1-17560.7-74.8000116L232 L238 L257L232-H255 HydrophobicContact CD1-CB 4.14Å; L238-H255 HydrophobicContact CB-CB 4.5Å; L238-H255 PolarHBondContact O-N 3.02Å; H255-L257 PolarHBondContact O-N 3.41Å
256T69.3Low78.3Confident103 Ų10373 Ų7363%0.63241%0.41SS*.G310 helixtrans-69.9-9.2175.253.70000115.3N254N254-T256 PolarHBondContact O-N 2.91Å
257L62.3Low79.1Confident110 Ų11067.4 Ų67.458%0.57639%0.387SS*.G310 helixtrans-130.637.8-175.8-62.5173.9000110.6N254 H255 Q262N254-L257 CarbonylContact O-C 3.49Å; N254-L257 WeakPolarHBondContact O-CA 3.24Å; N254-L257 PolarHBondContact O-N 2.68Å; H255-L257 PolarHBondContact O-N 3.41Å; L257-Q262 PolarHBondContact O-NE2 2.83Å; L257-Q262 PolarHBondContact O-OE1 2.9Å; L257-Q262 VanDerWaalsContact O-OE1 3.09Å
258L78Confident80Confident16 Ų1665.3 Ų65.38%0.08436%0.364CS..  trans-128.296.8175.2-66.1177.9000109.8V227 L238 I240 A253 I264V227-L258 HydrophobicContact CG2-CD2 4.06Å; L238-L258 HydrophobicContact CB-CD1 4.27Å; L238-L258 HydrophobicContact CD2-CD1 3.66Å; L238-L258 HydrophobicContact CG-CD1 3.83Å; I240-L258 HydrophobicContact CD1-CD2 3.8Å; I240-L258 HydrophobicContact CG1-CD2 4.47Å; A253-L258 HydrophobicContact CB-CD2 3.73Å; A253-L258 HydrophobicContact CB-CG 4.44Å; L258-I264 HydrophobicContact CD2-CD1 3.52Å
259V78.6Confident80.6Confident100 Ų10064.8 Ų64.861%0.60635%0.354SS*.  trans-109.1148.3179-174.40000109.9V227 G261 Q262V227-V259 WeakPolarHBondContact CB-O 3.35Å; V227-V259 WeakPolarHBondContact CG1-O 3.46Å; V259-G261 PolarHBondContact O-N 3.44Å; V259-Q262 WeakPolarHBondContact O-CB 3.35Å; V259-Q262 PolarHBondContact O-N 2.76Å; V259-Q262 VanDerWaalsContact O-N 3.11Å
260E82Confident81.1Confident154 Ų15461.2 Ų61.272%0.7233%0.333SS*.THydrogen-bonded Turntrans-51.6135.6173.5179.2173176.800112K228 Q262K228-E260 WeakPolarHBondContact O-CG 3.37Å; E260-Q262 VanDerWaalsContact C-N 3.26Å; E260-Q262 PolarHBondContact O-N 3.09Å
261G77.8Confident81.5Confident40 Ų4057.6 Ų57.641%0.41231%0.314SS..THydrogen-bonded Turntrans83.3-15.5-177.600000115.1Q226 V227 V259Q226-G261 PolarHBondContact NE2-O 2.93Å; V227-G261 PolarHBondContact O-N 3.12Å; V259-G261 PolarHBondContact O-N 3.44Å
262Q84Confident81.8Confident63 Ų6354.7 Ų54.729%0.29430%0.297SS..  trans-62.1141-179.9-173.7-179.6-19.200112Q226 V227 L257 V259 E260Q226-Q262 WeakPolarHBondContact CA-O 3.43Å; V227-Q262 HydrophobicContact CB-CB 4.48Å; V227-Q262 HydrophobicContact CG2-CB 4.24Å; V227-Q262 PolarHBondContact N-O 2.82Å; L257-Q262 PolarHBondContact O-NE2 2.83Å; L257-Q262 PolarHBondContact O-OE1 2.9Å; L257-Q262 VanDerWaalsContact O-OE1 3.09Å; V259-Q262 WeakPolarHBondContact O-CB 3.35Å; V259-Q262 PolarHBondContact O-N 2.76Å; V259-Q262 VanDerWaalsContact O-N 3.11Å; E260-Q262 VanDerWaalsContact C-N 3.26Å; E260-Q262 PolarHBondContact O-N 3.09Å
263V86.1Confident82.1Confident65 Ų6552 Ų5239%0.39428%0.283SS..EExtended strand (participates in β ladder)trans-118.9130-177.6-179.50000110.2E224 L225 Q226E224-V263 VanDerWaalsContact CD-CG1 3.45Å; E224-V263 HydrophobicContact CG-CG1 3.32Å; L225-V263 WeakPolarHBondContact O-CA 3.4Å; Q226-V263 HydrophobicContact CB-CG2 4.22Å; Q226-V263 HydrophobicContact CG-CG2 4.06Å
264I86.2Confident82.4Confident15 Ų1553.9 Ų53.98%0.07729%0.289CS..EExtended strand (participates in β ladder)trans-125.9127.9-177.4-66.5160000108.7L225 I240 L252 A253 L258L225-I264 PolarHBondContact N-O 3.31Å; L225-I264 PolarHBondContact O-N 2.92Å; I240-I264 HydrophobicContact CD1-CD1 3.8Å; I240-I264 HydrophobicContact CG2-CG2 4.09Å; L252-I264 HydrophobicContact CB-CG2 4Å; L252-I264 HydrophobicContact CD1-CG2 4.22Å; A253-I264 HydrophobicContact CB-CD1 3.55Å; A253-I264 HydrophobicContact CB-CG1 4.5Å; L258-I264 HydrophobicContact CD2-CD1 3.52Å
265R87.8Confident82.7Confident149 Ų14951.9 Ų51.956%0.56228%0.278SS*.EExtended strand (participates in β ladder)trans-109.1136.8-179-71.1177.5179.3152.44.5111.1E224 F293E224-R265 HydrophobicContact CB-CG 4.2Å; E224-R265 HydrophobicContact CG-CG 4.04Å; E224-R265 IonicContact OE2-CZ 3.97Å; E224-R265 IonicContact OE2-NE 3.87Å; E224-R265 PolarHBondContact OE2-NE 3.34Å; E224-R265 IonicContact OE2-NH2 3.36Å; E224-R265 PolarHBondContact OE2-NH2 2.87Å; R265-F293 HydrophobicContact CB-CD1 4.44Å; R265-F293 HydrophobicContact CB-CE1 3.76Å; R265-F293 HydrophobicContact CB-CE2 4.48Å; R265-F293 HydrophobicContact CB-CZ 3.79Å; R265-F293 HydrophobicContact CG-CD1 4.17Å; R265-F293 HydrophobicContact CG-CE1 3.98Å; R265-F293 HydrophobicContact CG-CE2 4.49Å; R265-F293 HydrophobicContact CG-CZ 4.15Å
266S86.5Confident83.3Confident2 Ų253 Ų531%0.01428%0.279CS..  trans-75.1142.1171.663.70000112V223 T268 S270 F293V223-S266 PolarHBondContact N-OG 3.36Å; V223-S266 PolarHBondContact O-N 3.35Å; V223-S266 PolarHBondContact O-OG 3.44Å; S266-T268 WeakPolarHBondContact CB-O 3.27Å; S266-T268 PolarHBondContact O-N 2.88Å; S266-T268 PolarHBondContact OG-O 2.85Å; S266-S270 WeakPolarHBondContact CB-O 3.44Å; S266-F293 VanDerWaalsContact O-CZ 3.31Å; S266-F293 WeakPolarHBondContact O-CZ 3.46Å
267P81.3Confident83.8Confident47 Ų4748.2 Ų48.231%0.30525%0.25SS..SBendtrans-73.4-13.517431.5-37.2000113.2V243V243-P267 WeakPolarHBondContact O-CG 3.29Å
268T84.4Confident84.3Confident11 Ų1143.1 Ų43.17%0.06722%0.224CC..SBendtrans-132.6176.1-175.647.70000111V243 S266 S270 S341 L342V243-T268 WeakPolarHBondContact O-CG2 3.42Å; V243-T268 PolarHBondContact O-OG1 2.81Å; S266-T268 WeakPolarHBondContact CB-O 3.27Å; S266-T268 PolarHBondContact O-N 2.88Å; S266-T268 PolarHBondContact OG-O 2.85Å; T268-S270 PolarHBondContact O-N 3.46Å; T268-S270 PolarHBondContact OG1-O 2.83Å; T268-S341 WeakPolarHBondContact CA-O 3.47Å; T268-L342 HydrophobicContact CG2-CB 4.09Å; T268-L342 HydrophobicContact CG2-CD1 3.46Å; T268-L342 VanDerWaalsContact CG2-CD1 3.46Å; T268-L342 HydrophobicContact CG2-CG 4.38Å
269N86.6Confident83.6Confident43 Ų4345.7 Ų45.723%0.2324%0.241CC..SBendtrans-73.116.6176.375.7-68.1000114.8V217 Y221V217-N269 HydrophobicContact CG2-CB 4.22Å; V217-N269 PolarHBondContact N-O 3.3Å; V217-N269 PolarHBondContact O-ND2 3.44Å; Y221-N269 VanDerWaalsContact O-CA 3.24Å; Y221-N269 WeakPolarHBondContact O-CA 3.35Å; Y221-N269 WeakPolarHBondContact O-CB 3.45Å
270S87.6Confident82.9Confident25 Ų2549.5 Ų49.518%0.17525%0.253CS..EExtended strand (participates in β ladder)trans-139.6138.4-178.8-1740000111.2V215 S266 T268V215-S270 WeakPolarHBondContact O-CA 3.28Å; S266-S270 WeakPolarHBondContact CB-O 3.44Å; T268-S270 PolarHBondContact O-N 3.46Å; T268-S270 PolarHBondContact OG1-O 2.83Å
271L90.8Very high81.7Confident1 Ų144.2 Ų44.21%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-137.9142.8173.9-178.1138.2000109.2T214 V215 V223 L225 I240 L252 V273T214-L271 CarbonylContact C-O 3.45Å; T214-L271 WeakPolarHBondContact CA-O 3.33Å; V215-L271 PolarHBondContact N-O 2.98Å; V215-L271 PolarHBondContact O-N 2.97Å; V223-L271 HydrophobicContact CB-CB 3.77Å; V223-L271 HydrophobicContact CB-CD1 4.41Å; V223-L271 HydrophobicContact CG1-CB 4.12Å; V223-L271 HydrophobicContact CG1-CD1 4.47Å; V223-L271 HydrophobicContact CG1-CD2 4.45Å; V223-L271 HydrophobicContact CG2-CB 4.05Å; L225-L271 HydrophobicContact CD1-CD2 3.69Å; I240-L271 HydrophobicContact CG2-CD1 3.87Å; I240-L271 HydrophobicContact CG2-CD2 4.11Å; I240-L271 HydrophobicContact CG2-CG 4.09Å; L252-L271 HydrophobicContact CD1-CD1 4.33Å; L271-V273 HydrophobicContact CD2-CG2 3.94Å
272S90Very high80.9Confident21 Ų2144.5 Ų44.515%0.14724%0.235CC..EExtended strand (participates in β ladder)trans-128.3132176.358.70000111.6Y213 R241Y213-S272 CarbonylContact O-C 3.59Å; Y213-S272 VanDerWaalsContact O-CA 3.27Å; Y213-S272 WeakPolarHBondContact O-CA 3.27Å; R241-S272 PolarHBondContact N-O 2.86Å; R241-S272 PolarHBondContact O-N 2.89Å; R241-S272 PolarHBondContact O-OG 2.92Å
273V90.1Very high80.2Confident0 Ų045.4 Ų45.40%024%0.24CC..EExtended strand (participates in β ladder)trans-102.2116.6171.5-174.10000107.3I195 T212 Y213 L225 L238 I240 L271 L288I195-V273 HydrophobicContact CD1-CG2 3.94Å; T212-V273 WeakPolarHBondContact CA-O 3.29Å; Y213-V273 HydrophobicContact CD2-CB 4.41Å; Y213-V273 PolarHBondContact N-O 3.1Å; Y213-V273 PolarHBondContact O-N 2.87Å; L225-V273 HydrophobicContact CD1-CG2 3.69Å; L238-V273 HydrophobicContact CD1-CG1 3.54Å; I240-V273 HydrophobicContact CG1-CG1 4.37Å; I240-V273 HydrophobicContact CG1-CG2 4.32Å; L271-V273 HydrophobicContact CD2-CG2 3.94Å; V273-L288 HydrophobicContact CG1-CD1 3.78Å; V273-L288 HydrophobicContact CG2-CD1 4.07Å
274Y88.8Confident79.5Confident44 Ų4442.6 Ų42.617%0.17323%0.225CC..EExtended strand (participates in β ladder)trans-103.9122.3176176.6-83.3000109.5H210 C211 S239 R241 R276H210-Y274 AromaticContact ND1-CZ 3.98Å; H210-Y274 PolarHBondContact ND1-OH 2.83Å; C211-Y274 WeakPolarHBondContact O-CA 3.21Å; S239-Y274 PolarHBondContact N-O 3.47Å; S239-Y274 PolarHBondContact O-N 2.92Å; R241-Y274 VanDerWaalsContact CZ-CG 3.5Å; Y274-R276 HydrophobicContact CE1-CB 4.27Å
275Y87.4Confident79.2Confident5 Ų546.5 Ų46.52%0.0225%0.245CC..EExtended strand (participates in β ladder)trans-119.9142.7178.5174.8-115.4000111.2H210 C211 L232 E236 Q237 L238 G284 F286H210-Y275 CarbonylContact C-O 3.55Å; C211-Y275 PolarHBondContact N-O 2.88Å; C211-Y275 PolarHBondContact O-N 2.85Å; L232-Y275 HydrophobicContact CD2-CE2 4.04Å; E236-Y275 HydrophobicContact CB-CE2 4.38Å; E236-Y275 PolarHBondContact OE1-OH 2.78Å; Q237-Y275 CarbonylContact O-C 3.54Å; Q237-Y275 WeakPolarHBondContact O-CA 3.49Å; L238-Y275 HydrophobicContact CB-CD2 4.44Å; L238-Y275 HydrophobicContact CD1-CD2 4.16Å; L238-Y275 HydrophobicContact CD1-CG 4.48Å; Y275-G284 PolarHBondContact OH-N 3.18Å; Y275-G284 VanDerWaalsContact OH-N 3.14Å; Y275-F286 AromaticContact CD1-CE1 3.67Å; Y275-F286 HydrophobicContact CD1-CE1 3.67Å; Y275-F286 HydrophobicContact CD1-CZ 4.09Å; Y275-F286 HydrophobicContact CD2-CD1 4.18Å; Y275-F286 AromaticContact CD2-CE1 3.64Å; Y275-F286 HydrophobicContact CD2-CE1 3.64Å; Y275-F286 HydrophobicContact CD2-CZ 4.42Å; Y275-F286 AromaticContact CE1-CE1 4Å; Y275-F286 HydrophobicContact CE1-CE1 4Å; Y275-F286 HydrophobicContact CE2-CD1 4.34Å; Y275-F286 AromaticContact CE2-CE1 3.99Å; Y275-F286 HydrophobicContact CE2-CE1 3.99Å; Y275-F286 HydrophobicContact CG-CD1 4.44Å; Y275-F286 AromaticContact CG-CE1 3.48Å; Y275-F286 HydrophobicContact CG-CE1 3.48Å; Y275-F286 VanDerWaalsContact CG-CE1 3.48Å; Y275-F286 AromaticContact CG-CZ 3.89Å; Y275-F286 HydrophobicContact CG-CZ 3.89Å
276R84.8Confident79.1Confident99 Ų9939.5 Ų39.537%0.37422%0.219SC..EExtended strand (participates in β ladder)trans-134.7126.4173.4-171-174.2-172.2-158-3.5110.4L209 H210 E236 Q237 Y274L209-R276 VanDerWaalsContact O-CA 3.31Å; L209-R276 WeakPolarHBondContact O-CA 3.46Å; H210-R276 PolarHBondContact CE1-NE 2.91Å; H210-R276 PolarHBondContact NE2-NE 3.22Å; E236-R276 WeakPolarHBondContact CA-O 3.5Å; Q237-R276 HydrophobicContact CB-CB 4.23Å; Q237-R276 PolarHBondContact N-O 2.9Å; Q237-R276 PolarHBondContact O-N 2.85Å; Y274-R276 HydrophobicContact CE1-CB 4.27Å
277S79.2Confident79.3Confident3 Ų343 Ų432%0.02124%0.235CC..  trans-77.3166.2178.377.50000113.3L209L209-S277 PolarHBondContact N-OG 3Å; L209-S277 PolarHBondContact O-N 2.87Å
278A71.9Confident79.7Confident3 Ų340.7 Ų40.73%0.02522%0.22CC..  trans-68.3159.1176.200000113.5S235 E236 E280 S282S235-A278 WeakPolarHBondContact OG-CB 3.27Å; E236-A278 HydrophobicContact CG-CB 3.89Å; E236-A278 VanDerWaalsContact CG-N 3.31Å; A278-E280 PolarHBondContact O-N 2.87Å; A278-E280 VanDerWaalsContact O-N 3.13Å; A278-S282 WeakPolarHBondContact CB-OG 3.32Å
279P64.1Low80.1Confident69 Ų6940.9 Ų40.945%0.44822%0.22SC..THydrogen-bonded Turn34.3-89.5120.639.4-24.2000118.9F208F208-P279 HydrophobicContact CE1-CB 3.59Å; F208-P279 HydrophobicContact CE1-CG 3.7Å; F208-P279 HydrophobicContact CZ-CB 3.76Å; F208-P279 HydrophobicContact CZ-CG 4.22Å
280E64.2Low80.5Confident181 Ų18139.1 Ų39.185%0.84621%0.21SC*.THydrogen-bonded Turntrans-120.416.2-142.6-60.6172.7168.400111.7A278A278-E280 PolarHBondContact O-N 2.87Å; A278-E280 VanDerWaalsContact O-N 3.13Å
281G57Low80.7Confident42 Ų4241.4 Ų41.443%0.43322%0.218SC..SBendtrans83.34.7-175.600000114.8
282S60.7Low80.7Confident47 Ų4743.5 Ų43.533%0.32923%0.229SC..  trans-64.8147.1168.969.80000110.9E236 A278E236-S282 PolarHBondContact OE1-OG 2.88Å; A278-S282 WeakPolarHBondContact CB-OG 3.32Å
283M68.3Low80.5Confident81 Ų8144.5 Ų44.540%0.39923%0.231SC..  trans-123.2107.7169.2-57.8-165.4-56.200108.6L209L209-M283 HydrophobicContact CD2-SD 4.25Å
284G72Confident80.2Confident7 Ų751.2 Ų51.27%0.07226%0.256CS..  trans-55.6138.9167.600000111.5N231 E236 Y275N231-G284 CarbonylContact O-C 3.48Å; N231-G284 WeakPolarHBondContact O-CA 3.35Å; E236-G284 PolarHBondContact OE1-N 2.83Å; Y275-G284 PolarHBondContact OH-N 3.18Å; Y275-G284 VanDerWaalsContact OH-N 3.14Å
285L80.3Confident79.9Confident97 Ų9749.3 Ų49.351%0.50825%0.249SC..EExtended strand (participates in β ladder)trans-80.8134.4-179.2-114.882.4000110N231N231-L285 HydrophobicContact CB-CB 4.39Å; N231-L285 PolarHBondContact N-O 3.2Å; N231-L285 PolarHBondContact O-N 2.8Å
286F86.3Confident79.8Confident2 Ų251.7 Ų51.71%0.00927%0.267CS..EExtended strand (participates in β ladder)trans-147.1138.2165.659.6-88.6000110.9I195 D196 S197 Y213 N229 V230 L232 L238 Y275 L288I195-F286 HydrophobicContact CG2-CE2 4.23Å; D196-F286 WeakPolarHBondContact CA-O 3.45Å; S197-F286 PolarHBondContact N-O 2.84Å; S197-F286 PolarHBondContact OG-N 2.9Å; S197-F286 PolarHBondContact OG-O 2.9Å; Y213-F286 HydrophobicContact CE2-CE2 4.08Å; Y213-F286 AromaticContact CE2-CZ 3.79Å; Y213-F286 HydrophobicContact CE2-CZ 3.79Å; N229-F286 CarbonylContact O-C 3.59Å; N229-F286 WeakPolarHBondContact O-CA 3.33Å; V230-F286 HydrophobicContact CG2-CB 4.15Å; L232-F286 HydrophobicContact CD2-CD1 4.41Å; L238-F286 HydrophobicContact CD1-CD1 4.46Å; L238-F286 HydrophobicContact CD1-CD2 4.44Å; L238-F286 HydrophobicContact CD1-CE2 4.49Å; L238-F286 HydrophobicContact CD1-CG 4.44Å; L238-F286 HydrophobicContact CD2-CB 4.01Å; L238-F286 HydrophobicContact CD2-CD1 4.49Å; L238-F286 HydrophobicContact CD2-CG 4.1Å; Y275-F286 AromaticContact CD1-CE1 3.67Å; Y275-F286 HydrophobicContact CD1-CE1 3.67Å; Y275-F286 HydrophobicContact CD1-CZ 4.09Å; Y275-F286 HydrophobicContact CD2-CD1 4.18Å; Y275-F286 AromaticContact CD2-CE1 3.64Å; Y275-F286 HydrophobicContact CD2-CE1 3.64Å; Y275-F286 HydrophobicContact CD2-CZ 4.42Å; Y275-F286 AromaticContact CE1-CE1 4Å; Y275-F286 HydrophobicContact CE1-CE1 4Å; Y275-F286 HydrophobicContact CE2-CD1 4.34Å; Y275-F286 AromaticContact CE2-CE1 3.99Å; Y275-F286 HydrophobicContact CE2-CE1 3.99Å; Y275-F286 HydrophobicContact CG-CD1 4.44Å; Y275-F286 AromaticContact CG-CE1 3.48Å; Y275-F286 HydrophobicContact CG-CE1 3.48Å; Y275-F286 VanDerWaalsContact CG-CE1 3.48Å; Y275-F286 AromaticContact CG-CZ 3.89Å; Y275-F286 HydrophobicContact CG-CZ 3.89Å; F286-L288 HydrophobicContact CD2-CD1 4.16Å; F286-L288 HydrophobicContact CD2-CG 4.24Å
287Q88.8Confident79.7Confident74 Ų7447.1 Ų47.135%0.34625%0.249SC..EExtended strand (participates in β ladder)trans-129.5117.5173.9-174.217589.600108.7Y194 D196 K228 N229Y194-Q287 HydrophobicContact CD1-CG 4.25Å; D196-Q287 WeakPolarHBondContact OD2-CG 3.05Å; D196-Q287 PolarHBondContact OD2-NE2 2.7Å; K228-Q287 HydrophobicContact CB-CG 4.39Å; K228-Q287 WeakPolarHBondContact CB-O 3.34Å; K228-Q287 PolarHBondContact N-O 3.22Å; N229-Q287 HydrophobicContact CB-CB 4.43Å; N229-Q287 PolarHBondContact N-O 2.68Å; N229-Q287 PolarHBondContact O-N 2.98Å
288L90.9Very high79.8Confident0 Ų051.2 Ų51.20%028%0.278CS..EExtended strand (participates in β ladder)trans-122.7120.9-176-52.1175000108.4Y194 I195 L225 V227 V230 I240 V273 F286Y194-L288 CarbonylContact C-O 3.5Å; Y194-L288 WeakPolarHBondContact CA-O 3.39Å; I195-L288 HydrophobicContact CB-CB 4.4Å; I195-L288 PolarHBondContact N-O 2.86Å; I195-L288 PolarHBondContact O-N 2.8Å; L225-L288 HydrophobicContact CD1-CB 4.16Å; L225-L288 HydrophobicContact CD1-CD1 4.18Å; L225-L288 HydrophobicContact CD2-CB 3.9Å; L225-L288 HydrophobicContact CD2-CD1 4.29Å; L225-L288 HydrophobicContact CD2-CD2 4.07Å; L225-L288 HydrophobicContact CD2-CG 4.3Å; L225-L288 HydrophobicContact CG-CB 4.1Å; V227-L288 HydrophobicContact CB-CD2 4.39Å; V227-L288 HydrophobicContact CG1-CD2 4.22Å; V227-L288 HydrophobicContact CG2-CD2 4.24Å; V230-L288 HydrophobicContact CG2-CD2 4.17Å; I240-L288 HydrophobicContact CD1-CD1 4.45Å; V273-L288 HydrophobicContact CG1-CD1 3.78Å; V273-L288 HydrophobicContact CG2-CD1 4.07Å; F286-L288 HydrophobicContact CD2-CD1 4.16Å; F286-L288 HydrophobicContact CD2-CG 4.24Å
289H93.4Very high80.1Confident15 Ų1557.1 Ų57.17%0.06931%0.309CS..EExtended strand (participates in β ladder)trans-89.6132.6174.7174.8-139.6000108.3E192 G193 Y194 L225 Q226 K228E192-H289 IonicContact OE1-CD2 2.7Å; E192-H289 IonicContact OE1-CE1 3.89Å; E192-H289 IonicContact OE1-NE2 2.68Å; E192-H289 PolarHBondContact OE1-NE2 2.86Å; G193-H289 PolarHBondContact O-CD2 2.87Å; Y194-H289 HydrophobicContact CD1-CB 3.98Å; Y194-H289 HydrophobicContact CE1-CB 3.65Å; Y194-H289 AromaticContact CE1-CD2 3.82Å; Y194-H289 AromaticContact CE1-CG 3.87Å; Y194-H289 AromaticContact CE2-CD2 3.51Å; Y194-H289 AromaticContact CZ-CD2 3.35Å; Y194-H289 AromaticContact CZ-CG 3.78Å; Y194-H289 AromaticContact CZ-NE2 3.98Å; L225-H289 CarbonylContact C-O 3.6Å; L225-H289 VanDerWaalsContact CA-O 3.31Å; L225-H289 WeakPolarHBondContact CA-O 3.24Å; Q226-H289 PolarHBondContact N-O 3.18Å; Q226-H289 PolarHBondContact O-N 3.01Å; K228-H289 HydrophobicContact CD-CB 4.2Å; K228-H289 WeakPolarHBondContact CE-ND1 3.41Å; K228-H289 HydrophobicContact CG-CB 3.87Å; K228-H289 PolarHBondContact NZ-ND1 3.49Å
290Y93.4Very high81Confident5 Ų554.1 Ų54.12%0.0229%0.289CS..EExtended strand (participates in β ladder)trans-121.1145174.471.2-93.9000111.2F188 E192 G193 I195 V215 E224F188-Y290 HydrophobicContact CB-CE1 4.43Å; F188-Y290 WeakPolarHBondContact CB-OH 3.35Å; F188-Y290 HydrophobicContact CD1-CE1 4.18Å; F188-Y290 WeakPolarHBondContact CD1-OH 3.3Å; F188-Y290 HydrophobicContact CG-CE1 4.18Å; E192-Y290 CarbonylContact C-O 3.56Å; E192-Y290 VanDerWaalsContact CA-O 3.29Å; E192-Y290 WeakPolarHBondContact CA-O 3.45Å; E192-Y290 WeakPolarHBondContact CG-O 3.35Å; G193-Y290 VanDerWaalsContact CA-CZ 3.5Å; G193-Y290 PolarHBondContact N-O 3.02Å; G193-Y290 VanDerWaalsContact O-CD1 3.31Å; G193-Y290 WeakPolarHBondContact O-CD1 3.18Å; G193-Y290 PolarHBondContact O-N 2.92Å; I195-Y290 HydrophobicContact CD1-CD1 4.15Å; I195-Y290 HydrophobicContact CG1-CD1 3.9Å; I195-Y290 HydrophobicContact CG1-CE1 4.07Å; V215-Y290 HydrophobicContact CG1-CD2 3.63Å; V215-Y290 HydrophobicContact CG1-CE2 3.71Å; V215-Y290 HydrophobicContact CG1-CG 4.23Å; V215-Y290 HydrophobicContact CG2-CD1 4.1Å; V215-Y290 HydrophobicContact CG2-CD2 4.31Å; V215-Y290 HydrophobicContact CG2-CE1 4.3Å; V215-Y290 HydrophobicContact CG2-CG 4.11Å; E224-Y290 CarbonylContact O-C 3.57Å; E224-Y290 VanDerWaalsContact O-CA 3.25Å; E224-Y290 WeakPolarHBondContact O-CA 3.31Å
291Q92.8Very high81.7Confident73 Ų7353.1 Ų53.134%0.34128%0.282SS..EExtended strand (participates in β ladder)trans-144.1155.3175.264.9-177.1-0.100110.7P191 E192 E224P191-Q291 CarbonylContact O-C 3.06Å; P191-Q291 WeakPolarHBondContact O-CA 3.36Å; E192-Q291 HydrophobicContact CG-CB 4.15Å; E224-Q291 HydrophobicContact CB-CG 4.15Å; E224-Q291 PolarHBondContact N-O 3.19Å; E224-Q291 PolarHBondContact O-N 3.3Å; E224-Q291 PolarHBondContact OE1-NE2 3.47Å
292I90.3Very high82.6Confident46 Ų4659.9 Ų59.924%0.23629%0.294CS..EExtended strand (participates in β ladder)trans-70137.8172.349.3168.6000111.8P191 V217 Y218 Y221 G222P191-I292 HydrophobicContact CB-CD1 3.75Å; P191-I292 HydrophobicContact CB-CG1 3.96Å; P191-I292 HydrophobicContact CB-CG2 4.31Å; P191-I292 WeakPolarHBondContact O-CG1 3.37Å; P191-I292 PolarHBondContact O-N 3.09Å; V217-I292 HydrophobicContact CB-CG2 3.87Å; V217-I292 HydrophobicContact CG1-CG2 3.63Å; V217-I292 HydrophobicContact CG2-CG2 4.24Å; Y218-I292 HydrophobicContact CE1-CD1 4.15Å; Y218-I292 WeakPolarHBondContact OH-CD1 3.4Å; Y221-I292 HydrophobicContact CD1-CB 4.28Å; Y221-I292 HydrophobicContact CD1-CD1 4.24Å; G222-I292 WeakPolarHBondContact O-CA 3.33Å
293F86.7Confident83.6Confident41 Ų4158.1 Ų58.118%0.1828%0.282CS..EExtended strand (participates in β ladder)trans-123.8158.7161.783.5-79.2000109.6Y221 G222 E224 R265 S266 L295Y221-F293 CarbonylContact C-O 3.5Å; Y221-F293 WeakPolarHBondContact CA-O 3.49Å; Y221-F293 WeakPolarHBondContact CB-O 3.25Å; Y221-F293 WeakPolarHBondContact CD1-O 3.35Å; G222-F293 VanDerWaalsContact C-CD1 3.47Å; G222-F293 PolarHBondContact N-O 3.36Å; G222-F293 WeakPolarHBondContact O-CD1 3.47Å; G222-F293 PolarHBondContact O-N 3.18Å; E224-F293 HydrophobicContact CB-CB 4.25Å; E224-F293 HydrophobicContact CB-CD1 3.89Å; E224-F293 HydrophobicContact CB-CG 4.4Å; R265-F293 HydrophobicContact CB-CD1 4.44Å; R265-F293 HydrophobicContact CB-CE1 3.76Å; R265-F293 HydrophobicContact CB-CE2 4.48Å; R265-F293 HydrophobicContact CB-CZ 3.79Å; R265-F293 HydrophobicContact CG-CD1 4.17Å; R265-F293 HydrophobicContact CG-CE1 3.98Å; R265-F293 HydrophobicContact CG-CE2 4.49Å; R265-F293 HydrophobicContact CG-CZ 4.15Å; S266-F293 VanDerWaalsContact O-CZ 3.31Å; S266-F293 WeakPolarHBondContact O-CZ 3.46Å; F293-L295 HydrophobicContact CE1-CD2 4.48Å; F293-L295 HydrophobicContact CE2-CD2 4.19Å; F293-L295 HydrophobicContact CZ-CD2 3.77Å
294R83.8Confident83.7Confident141 Ų14161.9 Ų61.953%0.53230%0.298SS..EExtended strand (participates in β ladder)trans-83.5128.1-178.5-164.1171.4178.8-161.6-6.2110.5Y221 L314Y221-R294 HydrophobicContact CD1-CB 4.22Å; Y221-R294 HydrophobicContact CE1-CB 4.03Å; Y221-R294 HydrophobicContact CE1-CG 4.16Å; R294-L314 HydrophobicContact CG-CD2 3.87Å; R294-L314 VanDerWaalsContact CZ-CD1 3.48Å; R294-L314 VanDerWaalsContact NH1-CD1 3.32Å
295L82.8Confident83.9Confident5 Ų567 Ų673%0.02632%0.319CS..  trans-71.9138178.7-71.1170.3000110.8G220 Y221 F293 P343G220-L295 PolarHBondContact O-N 2.94Å; Y221-L295 VanDerWaalsContact O-CD1 3.3Å; Y221-L295 WeakPolarHBondContact O-CD1 3.3Å; F293-L295 HydrophobicContact CE1-CD2 4.48Å; F293-L295 HydrophobicContact CE2-CD2 4.19Å; F293-L295 HydrophobicContact CZ-CD2 3.77Å; L295-P343 HydrophobicContact CB-CG 3.73Å
296S83.7Confident83.9Confident55 Ų5562.5 Ų62.539%0.38530%0.295SS..  trans-141.5156.6177.1580000110.4L313S296-L313 CarbonylContact C-O 3.49Å; S296-L313 WeakPolarHBondContact CA-O 3.31Å; S296-L313 WeakPolarHBondContact CB-O 3.44Å
297C83.1Confident83.5Confident2 Ų267.4 Ų67.41%0.01432%0.318CS..PPolyproline II helixtrans-62.8150.9170-74.80000110.5L313 C337 P343 V344 W345C297-L313 PolarHBondContact N-O 3.08Å; C297-C337 HydrophobicContact CB-CB 3.9Å; C297-C337 WeakPolarHBondContact CB-SG 3.29Å; C297-C337 WeakPolarHBondContact SG-CA 3.49Å; C297-C337 WeakPolarHBondContact SG-CB 3.41Å; C297-C337 CovalentContact SG-SG 2.04Å; C297-C337 PolarHBondContact SG-SG 3.2Å; C297-P343 HydrophobicContact CB-CB 4.38Å; C297-P343 VanDerWaalsContact SG-C 3.57Å; C297-V344 VanDerWaalsContact SG-C 3.55Å; C297-V344 PolarHBondContact SG-N 2.87Å; C297-W345 HydrophobicContact CB-CD2 4.32Å; C297-W345 HydrophobicContact CB-CH2 4.44Å; C297-W345 HydrophobicContact CB-CZ2 3.71Å
298S81.9Confident83.4Confident90 Ų9065.6 Ų65.663%0.62931%0.312SS*.PPolyproline II helixtrans-59.8146.1169.150.60000110.7P300 W345S298-P300 WeakPolarHBondContact O-CD 3.37Å; S298-W345 PolarHBondContact O-NE1 3.37Å
299L78.5Confident83.1Confident127 Ų12768.6 Ų68.667%0.66533%0.333SS*.PPolyproline II helixtrans-60120.5174.5-171.175.3000108.7V310 L313L299-V310 HydrophobicContact CD1-CG2 4.32Å; L299-L313 HydrophobicContact CD1-CD1 4.24Å; L299-L313 HydrophobicContact CD1-CD2 4.34Å
300P82.3Confident82.6Confident6 Ų670.2 Ų70.24%0.03934%0.344CS..PPolyproline II helixtrans-66.3140.9-176.326.6-33.5000110.1S298 R302 V308 V310 A319 F321 W345S298-P300 WeakPolarHBondContact O-CD 3.37Å; P300-R302 PolarHBondContact O-N 2.81Å; P300-V308 HydrophobicContact CG-CG2 3.99Å; P300-V310 HydrophobicContact CG-CG2 3.81Å; P300-A319 HydrophobicContact CG-CB 3.91Å; P300-F321 HydrophobicContact CB-CE1 4.3Å; P300-F321 HydrophobicContact CB-CZ 3.89Å; P300-F321 HydrophobicContact CG-CZ 4.33Å; P300-W345 HydrophobicContact CG-CZ2 4.11Å
301K78.4Confident82.1Confident159 Ų15977.1 Ų77.169%0.69138%0.38SS*.PPolyproline II helixtrans-65.1132-179.4-67.4-175.3178.3-176.40110.1
302R76.8Confident81.3Confident184 Ų18477 Ų7769%0.69438%0.382SS*.PPolyproline II helixtrans-59.9129.5171.8-174.5-177.3-67.8-165.4-0108.9P300 G306 V308P300-R302 PolarHBondContact O-N 2.81Å; R302-G306 VanDerWaalsContact CD-O 3.31Å; R302-G306 WeakPolarHBondContact CD-O 3.45Å; R302-G306 WeakPolarHBondContact CG-O 3.32Å; R302-V308 HydrophobicContact CB-CG1 4.31Å
303P80.8Confident81Confident10 Ų1077 Ų777%0.06538%0.382CS..PPolyproline II helixtrans-66.9142.8175.726.9-32.8000110.3F305 G306 F321P303-F305 PolarHBondContact O-N 3.17Å; P303-G306 PolarHBondContact O-N 3.36Å; P303-F321 HydrophobicContact CG-CD1 4.29Å
304H71.2Confident80.8Confident160 Ų16076.7 Ų76.774%0.74138%0.383SS*.THydrogen-bonded Turntrans-58.4128.3172.3-65.285.8000109.3G306 C352H304-G306 VanDerWaalsContact C-N 3.29Å; H304-G306 PolarHBondContact O-N 2.95Å; H304-C352 WeakPolarHBondContact O-CB 3.27Å
305F76Confident80.7Confident116 Ų11672.4 Ų72.451%0.50937%0.373SS..THydrogen-bonded Turntrans59.134-173.7-42.6-77.6000114.9P303 H324 Y327P303-F305 PolarHBondContact O-N 3.17Å; F305-H324 WeakPolarHBondContact O-CB 3.12Å; F305-H324 PolarHBondContact O-N 3.02Å; F305-Y327 HydrophobicContact CB-CD1 3.89Å; F305-Y327 HydrophobicContact CB-CD2 3.72Å; F305-Y327 HydrophobicContact CB-CE1 3.64Å; F305-Y327 HydrophobicContact CB-CE2 3.44Å; F305-Y327 VanDerWaalsContact CB-CE2 3.44Å; F305-Y327 HydrophobicContact CB-CG 3.95Å; F305-Y327 VanDerWaalsContact CB-CZ 3.41Å; F305-Y327 HydrophobicContact CD1-CE1 4.44Å; F305-Y327 HydrophobicContact CD1-CE2 4.09Å; F305-Y327 AromaticContact CD1-CZ 3.71Å; F305-Y327 VanDerWaalsContact CD1-OH 3.29Å; F305-Y327 WeakPolarHBondContact CD1-OH 3.24Å; F305-Y327 HydrophobicContact CD2-CD1 4.34Å; F305-Y327 AromaticContact CD2-CE1 3.52Å; F305-Y327 HydrophobicContact CD2-CE1 3.52Å; F305-Y327 AromaticContact CD2-CZ 3.63Å; F305-Y327 HydrophobicContact CE2-CE1 4.28Å; F305-Y327 HydrophobicContact CG-CD1 4.35Å; F305-Y327 AromaticContact CG-CE1 3.62Å; F305-Y327 HydrophobicContact CG-CE1 3.62Å; F305-Y327 AromaticContact CG-CE2 3.79Å; F305-Y327 HydrophobicContact CG-CE2 3.79Å; F305-Y327 AromaticContact CG-CZ 3.29Å; F305-Y327 VanDerWaalsContact CG-OH 3.3Å; F305-Y327 WeakPolarHBondContact CG-OH 3.37Å
306G80Confident80.7Confident1 Ų174.9 Ų74.91%0.0140%0.399CS..EExtended strand (participates in β ladder)trans-152.1-176.8169.100000112.7R302 P303 H304 H322R302-G306 VanDerWaalsContact CD-O 3.31Å; R302-G306 WeakPolarHBondContact CD-O 3.45Å; R302-G306 WeakPolarHBondContact CG-O 3.32Å; P303-G306 PolarHBondContact O-N 3.36Å; H304-G306 VanDerWaalsContact C-N 3.29Å; H304-G306 PolarHBondContact O-N 2.95Å; G306-H322 CarbonylContact C-O 3.55Å; G306-H322 WeakPolarHBondContact CA-O 3.05Å
307E79Confident80.7Confident106 Ų10672.5 Ų72.550%0.49538%0.383SS..EExtended strand (participates in β ladder)trans-125.8162.6179.463.9179.6175.900111.1H322E307-H322 HydrophobicContact CG-CB 3.82Å; E307-H322 PolarHBondContact N-O 2.84Å; E307-H322 PolarHBondContact O-N 3.07Å
308V85.2Confident81Confident35 Ų3573.8 Ų73.821%0.21239%0.391CS..EExtended strand (participates in β ladder)trans-134.5124.4174.258.80000109.2P300 R302 V310 A319 S320 F321P300-V308 HydrophobicContact CG-CG2 3.99Å; R302-V308 HydrophobicContact CB-CG1 4.31Å; V308-V310 HydrophobicContact CG2-CG2 4.12Å; V308-A319 HydrophobicContact CG2-CB 4.14Å; V308-S320 CarbonylContact C-O 3.55Å; V308-S320 WeakPolarHBondContact CA-O 3.36Å; V308-F321 HydrophobicContact CB-CD1 3.82Å; V308-F321 HydrophobicContact CB-CE1 3.88Å; V308-F321 HydrophobicContact CG2-CD1 3.69Å; V308-F321 HydrophobicContact CG2-CD2 4.46Å; V308-F321 HydrophobicContact CG2-CE1 3.45Å; V308-F321 VanDerWaalsContact CG2-CE1 3.45Å; V308-F321 HydrophobicContact CG2-CE2 4.23Å; V308-F321 HydrophobicContact CG2-CG 4.2Å; V308-F321 HydrophobicContact CG2-CZ 3.74Å
309S84.8Confident81.2Confident63 Ų6369.5 Ų69.544%0.44136%0.361SS..EExtended strand (participates in β ladder)trans-102.6117.2173.850.20000109A319 S320S309-A319 CarbonylContact O-C 3.53Å; S309-A319 WeakPolarHBondContact O-CA 3.5Å; S309-S320 PolarHBondContact N-O 2.9Å; S309-S320 PolarHBondContact O-N 3.23Å; S309-S320 PolarHBondContact OG-O 3.38Å
310V84Confident81.7Confident50 Ų5064.7 Ų64.730%0.30334%0.339SS..EExtended strand (participates in β ladder)trans-105.3120.5-178.8-176.70000108.4L299 P300 V308 L313 A319L299-V310 HydrophobicContact CD1-CG2 4.32Å; P300-V310 HydrophobicContact CG-CG2 3.81Å; V308-V310 HydrophobicContact CG2-CG2 4.12Å; V310-L313 HydrophobicContact CG1-CD2 3.64Å; V310-L313 HydrophobicContact CG1-CG 3.99Å; V310-A319 HydrophobicContact CG2-CB 4.05Å
311L81.2Confident82.1Confident149 Ų14964.7 Ų64.778%0.7834%0.338SS*.SBendtrans-82.3-39.8177.5-68.5169.4000111.7V318L311-V318 HydrophobicContact CD1-CB 4.47Å; L311-V318 PolarHBondContact N-O 2.78Å
312D77.9Confident82.4Confident70 Ų7061.3 Ų61.337%0.37432%0.324SS..  trans-159.7148177.6-169.2-4.4000109.1L314 G317 V318D312-L314 WeakPolarHBondContact OD1-CB 3.32Å; D312-L314 WeakPolarHBondContact OD1-CD1 3.48Å; D312-L314 VanDerWaalsContact OD1-CG 3.23Å; D312-L314 WeakPolarHBondContact OD1-CG 3.47Å; D312-L314 PolarHBondContact OD1-N 3.05Å; D312-G317 CarbonylContact O-C 3.59Å; D312-G317 WeakPolarHBondContact O-CA 3.49Å; D312-V318 PolarHBondContact O-N 2.99Å
313L82Confident82.8Confident47 Ų4754.2 Ų54.225%0.24630%0.302CS..  trans-100.1-8.6174.2-67.3175.9000112.6S296 C297 L299 V310 C337 W345S296-L313 CarbonylContact C-O 3.49Å; S296-L313 WeakPolarHBondContact CA-O 3.31Å; S296-L313 WeakPolarHBondContact CB-O 3.44Å; C297-L313 PolarHBondContact N-O 3.08Å; L299-L313 HydrophobicContact CD1-CD1 4.24Å; L299-L313 HydrophobicContact CD1-CD2 4.34Å; V310-L313 HydrophobicContact CG1-CD2 3.64Å; V310-L313 HydrophobicContact CG1-CG 3.99Å; L313-C337 PolarHBondContact O-SG 3.4Å; L313-W345 HydrophobicContact CD2-CH2 4.22Å; L313-W345 HydrophobicContact CD2-CZ2 3.69Å
314L82.6Confident82.9Confident35 Ų3558.1 Ų58.118%0.18332%0.32CS..SBendtrans-70.6161176.9-62.9166.2000111.3R294 D312 G316 G317 C337R294-L314 HydrophobicContact CG-CD2 3.87Å; R294-L314 VanDerWaalsContact CZ-CD1 3.48Å; R294-L314 VanDerWaalsContact NH1-CD1 3.32Å; D312-L314 WeakPolarHBondContact OD1-CB 3.32Å; D312-L314 WeakPolarHBondContact OD1-CD1 3.48Å; D312-L314 VanDerWaalsContact OD1-CG 3.23Å; D312-L314 WeakPolarHBondContact OD1-CG 3.47Å; D312-L314 PolarHBondContact OD1-N 3.05Å; L314-G316 PolarHBondContact O-N 3.04Å; L314-G317 WeakPolarHBondContact O-CA 3.3Å; L314-G317 PolarHBondContact O-N 2.71Å; L314-C337 WeakPolarHBondContact O-CB 3.28Å
315P81.6Confident83.3Confident51 Ų5156.1 Ų56.133%0.33131%0.312SS..THydrogen-bonded Turntrans-57.5124176.1-25.735.4000112.3N339 A340 P343P315-N339 WeakPolarHBondContact CB-O 3.17Å; P315-N339 VanDerWaalsContact CG-O 3.31Å; P315-N339 WeakPolarHBondContact CG-O 3.19Å; P315-A340 HydrophobicContact CG-CB 4.29Å; P315-P343 HydrophobicContact CG-CG 4.42Å
316G82.8Confident83.3Confident56 Ų5652.3 Ų52.358%0.57731%0.306SS*.THydrogen-bonded Turntrans95.3-12.5-169.100000114.5L314 C337L314-G316 PolarHBondContact O-N 3.04Å; G316-C337 PolarHBondContact N-O 2.73Å
317G85.4Confident83.4Confident5 Ų554.9 Ų54.95%0.05232%0.315CS..  trans-67.6159.717200000113.1D312 L314 T336 C337D312-G317 CarbonylContact O-C 3.59Å; D312-G317 WeakPolarHBondContact O-CA 3.49Å; L314-G317 WeakPolarHBondContact O-CA 3.3Å; L314-G317 PolarHBondContact O-N 2.71Å; G317-T336 CarbonylContact O-C 3.58Å; G317-T336 WeakPolarHBondContact O-CA 3.42Å; G317-C337 PolarHBondContact O-N 3.24Å
318V88.3Confident83.7Confident29 Ų2955.4 Ų55.418%0.17632%0.318CS..EExtended strand (participates in β ladder)trans-138134.9-165.2-175.40000111.3L311 D312 Q334 L335 T336L311-V318 HydrophobicContact CD1-CB 4.47Å; L311-V318 PolarHBondContact N-O 2.78Å; D312-V318 PolarHBondContact O-N 2.99Å; V318-Q334 HydrophobicContact CG1-CG 3.29Å; V318-L335 WeakPolarHBondContact CA-O 3.26Å; V318-T336 HydrophobicContact CG2-CG2 4.31Å
319A86.7Confident83.8Confident0 Ų055.3 Ų55.30%032%0.316CS..EExtended strand (participates in β ladder)trans-114135.817200000110.3P300 V308 S309 V310 F321 Q334 L335 W345P300-A319 HydrophobicContact CG-CB 3.91Å; V308-A319 HydrophobicContact CG2-CB 4.14Å; S309-A319 CarbonylContact O-C 3.53Å; S309-A319 WeakPolarHBondContact O-CA 3.5Å; V310-A319 HydrophobicContact CG2-CB 4.05Å; A319-F321 HydrophobicContact CB-CE2 4.06Å; A319-F321 HydrophobicContact CB-CZ 4.31Å; A319-Q334 CarbonylContact O-C 3.58Å; A319-Q334 VanDerWaalsContact O-CA 3.31Å; A319-Q334 WeakPolarHBondContact O-CA 3.43Å; A319-L335 PolarHBondContact N-O 2.87Å; A319-L335 PolarHBondContact O-N 2.87Å; A319-W345 HydrophobicContact CB-CH2 3.84Å; A319-W345 HydrophobicContact CB-CZ2 4.45Å; A319-W345 HydrophobicContact CB-CZ3 3.88Å
320S89.6Confident84Confident27 Ų2757.5 Ų57.519%0.18932%0.319CS..EExtended strand (participates in β ladder)trans-121.8139.7178.5-171.40000111.1V308 S309 H322 P333V308-S320 CarbonylContact C-O 3.55Å; V308-S320 WeakPolarHBondContact CA-O 3.36Å; S309-S320 PolarHBondContact N-O 2.9Å; S309-S320 PolarHBondContact O-N 3.23Å; S309-S320 PolarHBondContact OG-O 3.38Å; S320-H322 PolarHBondContact OG-CE1 2.91Å; S320-P333 WeakPolarHBondContact CA-O 3.39Å; S320-P333 PolarHBondContact OG-O 2.94Å
321F89.2Confident84.1Confident5 Ų557.6 Ų57.62%0.02233%0.33CS..EExtended strand (participates in β ladder)trans-118128.2-168-62.5-97.7000110.7P300 P303 V308 A319 L329 P333 L335 P350P300-F321 HydrophobicContact CB-CE1 4.3Å; P300-F321 HydrophobicContact CB-CZ 3.89Å; P300-F321 HydrophobicContact CG-CZ 4.33Å; P303-F321 HydrophobicContact CG-CD1 4.29Å; V308-F321 HydrophobicContact CB-CD1 3.82Å; V308-F321 HydrophobicContact CB-CE1 3.88Å; V308-F321 HydrophobicContact CG2-CD1 3.69Å; V308-F321 HydrophobicContact CG2-CD2 4.46Å; V308-F321 HydrophobicContact CG2-CE1 3.45Å; V308-F321 VanDerWaalsContact CG2-CE1 3.45Å; V308-F321 HydrophobicContact CG2-CE2 4.23Å; V308-F321 HydrophobicContact CG2-CG 4.2Å; V308-F321 HydrophobicContact CG2-CZ 3.74Å; A319-F321 HydrophobicContact CB-CE2 4.06Å; A319-F321 HydrophobicContact CB-CZ 4.31Å; F321-L329 HydrophobicContact CB-CD1 4.2Å; F321-L329 HydrophobicContact CB-CD2 4.46Å; F321-P333 PolarHBondContact N-O 2.8Å; F321-L335 HydrophobicContact CE2-CB 4.12Å; F321-L335 HydrophobicContact CE2-CD1 3.77Å; F321-L335 HydrophobicContact CE2-CG 3.8Å; F321-L335 HydrophobicContact CZ-CD1 3.95Å; F321-L335 HydrophobicContact CZ-CG 4.48Å; F321-P350 HydrophobicContact CB-CG 3.55Å; F321-P350 HydrophobicContact CD1-CG 3.66Å; F321-P350 HydrophobicContact CD2-CG 3.74Å; F321-P350 HydrophobicContact CE1-CG 4.26Å; F321-P350 HydrophobicContact CE2-CG 4.35Å; F321-P350 HydrophobicContact CG-CG 3.37Å
322H85.8Confident84.4Confident88 Ų8856.6 Ų56.641%0.40732%0.321SS..EExtended strand (participates in β ladder)trans-126.2147.1-178.9-57.781.2000109.4G306 E307 S320G306-H322 CarbonylContact C-O 3.55Å; G306-H322 WeakPolarHBondContact CA-O 3.05Å; E307-H322 HydrophobicContact CG-CB 3.82Å; E307-H322 PolarHBondContact N-O 2.84Å; E307-H322 PolarHBondContact O-N 3.07Å; S320-H322 PolarHBondContact OG-CE1 2.91Å
323C85.4Confident85Confident35 Ų3556.6 Ų56.624%0.23633%0.325CS..EExtended strand (participates in β ladder)trans-105.1147.6178.6-63.30000111.1Y327 L329 C352C323-Y327 WeakPolarHBondContact CB-O 3.07Å; C323-L329 VanDerWaalsContact SG-CA 3.54Å; C323-L329 WeakPolarHBondContact SG-CD1 3.45Å; C323-C352 WeakPolarHBondContact CA-SG 3.42Å; C323-C352 HydrophobicContact CB-CB 3.82Å; C323-C352 WeakPolarHBondContact CB-SG 3.37Å; C323-C352 VanDerWaalsContact SG-CA 3.56Å; C323-C352 WeakPolarHBondContact SG-CB 3.07Å; C323-C352 CovalentContact SG-SG 2.04Å; C323-C352 PolarHBondContact SG-SG 3.42Å
324H82.3Confident85.4Confident93 Ų9359.5 Ų59.543%0.43134%0.338SS..  trans-65154.6173-59.5171.7000110.6F305 G326 Y327F305-H324 WeakPolarHBondContact O-CB 3.12Å; F305-H324 PolarHBondContact O-N 3.02Å; H324-G326 PolarHBondContact O-N 2.92Å; H324-Y327 HydrophobicContact CB-CD2 4.35Å; H324-Y327 PolarHBondContact O-N 2.95Å
325M79.1Confident85.8Confident117 Ų11758 Ų5858%0.57633%0.329SS*.THydrogen-bonded Turntrans-55.1130.1-176.1-65.9-164.979.900112.3
326G76.7Confident86.2Confident37 Ų3757.9 Ų57.938%0.38133%0.328SS..THydrogen-bonded Turntrans98.7-19.3-175.100000114.4H324H324-G326 PolarHBondContact O-N 2.92Å
327Y82.3Confident86.4Confident54 Ų5455.2 Ų55.221%0.21230%0.301CS..  trans-97.8142.7173.8-64.1-95.5000111.5F305 C323 H324 A354 L369F305-Y327 HydrophobicContact CB-CD1 3.89Å; F305-Y327 HydrophobicContact CB-CD2 3.72Å; F305-Y327 HydrophobicContact CB-CE1 3.64Å; F305-Y327 HydrophobicContact CB-CE2 3.44Å; F305-Y327 VanDerWaalsContact CB-CE2 3.44Å; F305-Y327 HydrophobicContact CB-CG 3.95Å; F305-Y327 VanDerWaalsContact CB-CZ 3.41Å; F305-Y327 HydrophobicContact CD1-CE1 4.44Å; F305-Y327 HydrophobicContact CD1-CE2 4.09Å; F305-Y327 AromaticContact CD1-CZ 3.71Å; F305-Y327 VanDerWaalsContact CD1-OH 3.29Å; F305-Y327 WeakPolarHBondContact CD1-OH 3.24Å; F305-Y327 HydrophobicContact CD2-CD1 4.34Å; F305-Y327 AromaticContact CD2-CE1 3.52Å; F305-Y327 HydrophobicContact CD2-CE1 3.52Å; F305-Y327 AromaticContact CD2-CZ 3.63Å; F305-Y327 HydrophobicContact CE2-CE1 4.28Å; F305-Y327 HydrophobicContact CG-CD1 4.35Å; F305-Y327 AromaticContact CG-CE1 3.62Å; F305-Y327 HydrophobicContact CG-CE1 3.62Å; F305-Y327 AromaticContact CG-CE2 3.79Å; F305-Y327 HydrophobicContact CG-CE2 3.79Å; F305-Y327 AromaticContact CG-CZ 3.29Å; F305-Y327 VanDerWaalsContact CG-OH 3.3Å; F305-Y327 WeakPolarHBondContact CG-OH 3.37Å; C323-Y327 WeakPolarHBondContact CB-O 3.07Å; H324-Y327 HydrophobicContact CB-CD2 4.35Å; H324-Y327 PolarHBondContact O-N 2.95Å; Y327-A354 HydrophobicContact CD1-CB 4.33Å; Y327-A354 HydrophobicContact CE1-CB 4.34Å; Y327-L369 HydrophobicContact CD1-CD1 4.39Å; Y327-L369 HydrophobicContact CD2-CD1 3.48Å; Y327-L369 VanDerWaalsContact CD2-CD1 3.48Å; Y327-L369 HydrophobicContact CE1-CD1 4.17Å; Y327-L369 HydrophobicContact CE2-CD1 3.2Å; Y327-L369 HydrophobicContact CG-CD1 4.06Å
328H84.9Confident86.4Confident117 Ų11759.2 Ų59.254%0.54232%0.32SS..EExtended strand (participates in β ladder)trans-105.5142.8172.8-165.1-73.6000110.4C352 R353 L355H328-C352 WeakPolarHBondContact O-CA 3.5Å; H328-R353 PolarHBondContact N-O 2.92Å; H328-R353 PolarHBondContact O-N 3.02Å; H328-L355 HydrophobicContact CB-CD1 3.94Å; H328-L355 HydrophobicContact CB-CG 4.12Å
329L87.8Confident86Confident34 Ų3461.9 Ų61.918%0.17833%0.333CS..EExtended strand (participates in β ladder)trans-75134.3176.4-163.476.3000110.8F321 C323 P333 P350F321-L329 HydrophobicContact CB-CD1 4.2Å; F321-L329 HydrophobicContact CB-CD2 4.46Å; C323-L329 VanDerWaalsContact SG-CA 3.54Å; C323-L329 WeakPolarHBondContact SG-CD1 3.45Å; L329-P333 VanDerWaalsContact CD2-CA 3.5Å; L329-P333 HydrophobicContact CD2-CB 3.92Å; L329-P350 HydrophobicContact CD1-CB 3.76Å; L329-P350 HydrophobicContact CD1-CG 3.95Å; L329-P350 HydrophobicContact CD2-CB 4.12Å; L329-P350 HydrophobicContact CD2-CG 4.35Å; L329-P350 HydrophobicContact CG-CB 3.92Å; L329-P350 HydrophobicContact CG-CG 4.45Å
330Q87.7Confident85.3Confident109 Ų10963.7 Ų63.751%0.50935%0.348SS..EExtended strand (participates in β ladder)trans-120.1102.2170-175.3172.822.300109.4P350 T351Q330-P350 WeakPolarHBondContact O-CA 3.43Å; Q330-T351 PolarHBondContact N-O 2.03Å; Q330-T351 PolarHBondContact O-N 2.03Å
331G86.2Confident84.5Confident51 Ų5164.2 Ų64.253%0.52635%0.352SS..SBendtrans139.5-171.7-175.700000110.3
332E88.9Confident84Confident128 Ų12865.7 Ų65.760%0.59836%0.36SS*.  trans-74137.9173.5-66.5-59151.100110.8Q334 L335 P350E332-Q334 PolarHBondContact O-N 2.82Å; E332-L335 HydrophobicContact CB-CD2 4.29Å; E332-P350 WeakPolarHBondContact O-CG 3.29Å
333P89.6Confident83.7Confident70 Ų7062.3 Ų62.346%0.45535%0.345SS..SBendtrans-74.7-7.717932.3-36.5000113.8S320 F321 L329S320-P333 WeakPolarHBondContact CA-O 3.39Å; S320-P333 PolarHBondContact OG-O 2.94Å; F321-P333 PolarHBondContact N-O 2.8Å; L329-P333 VanDerWaalsContact CD2-CA 3.5Å; L329-P333 HydrophobicContact CD2-CB 3.92Å
334Q91.1Very high83.7Confident109 Ų10964 Ų6451%0.50936%0.355SS..EExtended strand (participates in β ladder)trans-150.2131-174.3-168.9165.862.200110.1V318 A319 E332V318-Q334 HydrophobicContact CG1-CG 3.29Å; A319-Q334 CarbonylContact O-C 3.58Å; A319-Q334 VanDerWaalsContact O-CA 3.31Å; A319-Q334 WeakPolarHBondContact O-CA 3.43Å; E332-Q334 PolarHBondContact O-N 2.82Å
335L90Very high83.9Confident2 Ų260.8 Ų60.81%0.0134%0.339CS..EExtended strand (participates in β ladder)trans-120.6143.2174.8-62.1178.9000109.5V318 A319 F321 E332 W345V318-L335 WeakPolarHBondContact CA-O 3.26Å; A319-L335 PolarHBondContact N-O 2.87Å; A319-L335 PolarHBondContact O-N 2.87Å; F321-L335 HydrophobicContact CE2-CB 4.12Å; F321-L335 HydrophobicContact CE2-CD1 3.77Å; F321-L335 HydrophobicContact CE2-CG 3.8Å; F321-L335 HydrophobicContact CZ-CD1 3.95Å; F321-L335 HydrophobicContact CZ-CG 4.48Å; E332-L335 HydrophobicContact CB-CD2 4.29Å; L335-W345 HydrophobicContact CB-CE3 3.86Å; L335-W345 HydrophobicContact CD1-CB 4.44Å; L335-W345 WeakPolarHBondContact O-CZ3 3.48Å
336T90.1Very high84.4Confident49 Ų4958.1 Ų58.130%0.30133%0.332SS..EExtended strand (participates in β ladder)trans-112.9136.3-179.8-56.10000109.6G317 V318 I338 W345 S346G317-T336 CarbonylContact O-C 3.58Å; G317-T336 WeakPolarHBondContact O-CA 3.42Å; V318-T336 HydrophobicContact CG2-CG2 4.31Å; T336-I338 PolarHBondContact O-N 2.04Å; T336-W345 VanDerWaalsContact C-CE3 3.47Å; T336-S346 PolarHBondContact N-OG 3.02Å; T336-S346 WeakPolarHBondContact O-CB 3.48Å; T336-S346 PolarHBondContact O-N 2.83Å; T336-S346 PolarHBondContact O-OG 2.88Å
337C87.8Confident84.8Confident1 Ų158.1 Ų58.11%0.00733%0.332CS..EExtended strand (participates in β ladder)trans-72.6118.4173.3-177.20000109.1C297 L313 L314 G316 G317 W345C297-C337 HydrophobicContact CB-CB 3.9Å; C297-C337 WeakPolarHBondContact CB-SG 3.29Å; C297-C337 WeakPolarHBondContact SG-CA 3.49Å; C297-C337 WeakPolarHBondContact SG-CB 3.41Å; C297-C337 CovalentContact SG-SG 2.04Å; C297-C337 PolarHBondContact SG-SG 3.2Å; L313-C337 PolarHBondContact O-SG 3.4Å; L314-C337 WeakPolarHBondContact O-CB 3.28Å; G316-C337 PolarHBondContact N-O 2.73Å; G317-C337 PolarHBondContact O-N 3.24Å; C337-W345 HydrophobicContact CB-CE3 4.23Å; C337-W345 HydrophobicContact CB-CH2 4.1Å; C337-W345 HydrophobicContact CB-CZ3 3.89Å; C337-W345 VanDerWaalsContact N-CZ3 3.34Å
338I85.8Confident84.9Confident88 Ų8864.2 Ų64.245%0.45136%0.359SS..EExtended strand (participates in β ladder)trans-116.8157.7-177.158.8164.2000111.4T336 P343 V344T336-I338 PolarHBondContact O-N 2.04Å; I338-P343 WeakPolarHBondContact O-CA 3.41Å; I338-V344 WeakPolarHBondContact CG1-O 3.42Å; I338-V344 PolarHBondContact N-O 2.58Å; I338-V344 PolarHBondContact O-N 2.87Å
339N78.5Confident84.9Confident86 Ų8662.3 Ų62.346%0.4635%0.35SS..  trans66.3146.7-175-171.621000114.6P315 S341 L342P315-N339 WeakPolarHBondContact CB-O 3.17Å; P315-N339 VanDerWaalsContact CG-O 3.31Å; P315-N339 WeakPolarHBondContact CG-O 3.19Å; N339-S341 PolarHBondContact OD1-N 2.84Å; N339-S341 PolarHBondContact OD1-OG 2.96Å; N339-L342 WeakPolarHBondContact CB-O 3.48Å; N339-L342 PolarHBondContact ND2-N 2.76Å; N339-L342 PolarHBondContact ND2-O 2.89Å
340A73.3Confident84.9Confident37 Ų3760.9 Ų60.931%0.30634%0.344SS..SBendtrans-113.1-16.4-174.200000114.2G220 P315G220-A340 WeakPolarHBondContact CA-O 3.11Å; G220-A340 PolarHBondContact N-O 2.87Å; P315-A340 HydrophobicContact CG-CB 4.29Å
341S72.4Confident84.8Confident39 Ų3958.8 Ų58.827%0.27334%0.338SS..SBendtrans-96.4-20.1173.353.20000113.5T268 N339T268-S341 WeakPolarHBondContact CA-O 3.47Å; N339-S341 PolarHBondContact OD1-N 2.84Å; N339-S341 PolarHBondContact OD1-OG 2.96Å
342L78.3Confident84.8Confident35 Ų3556.9 Ų56.918%0.18332%0.316CS..SBendtrans-149.491.3173175.587.7000107D245 T268 N339 V344D245-L342 HydrophobicContact CB-CD2 3.88Å; T268-L342 HydrophobicContact CG2-CB 4.09Å; T268-L342 HydrophobicContact CG2-CD1 3.46Å; T268-L342 VanDerWaalsContact CG2-CD1 3.46Å; T268-L342 HydrophobicContact CG2-CG 4.38Å; N339-L342 WeakPolarHBondContact CB-O 3.48Å; N339-L342 PolarHBondContact ND2-N 2.76Å; N339-L342 PolarHBondContact ND2-O 2.89Å; L342-V344 HydrophobicContact CD2-CG2 4.01Å; L342-V344 HydrophobicContact CG-CG2 4.07Å; L342-V344 PolarHBondContact O-N 3.3Å
343P80.6Confident84.4Confident17 Ų1753.9 Ų53.911%0.1130%0.3CS..  trans-70.2125.9-177.5-2033.4000112.3L295 C297 P315 I338L295-P343 HydrophobicContact CB-CG 3.73Å; C297-P343 HydrophobicContact CB-CB 4.38Å; C297-P343 VanDerWaalsContact SG-C 3.57Å; P315-P343 HydrophobicContact CG-CG 4.42Å; I338-P343 WeakPolarHBondContact O-CA 3.41Å
344V84.7Confident84.1Confident72 Ų7250.7 Ų50.744%0.43628%0.28SS..EExtended strand (participates in β ladder)trans-136.7150-179.7-176.90000109.1C297 I338 L342C297-V344 VanDerWaalsContact SG-C 3.55Å; C297-V344 PolarHBondContact SG-N 2.87Å; I338-V344 WeakPolarHBondContact CG1-O 3.42Å; I338-V344 PolarHBondContact N-O 2.58Å; I338-V344 PolarHBondContact O-N 2.87Å; L342-V344 HydrophobicContact CD2-CG2 4.01Å; L342-V344 HydrophobicContact CG-CG2 4.07Å; L342-V344 PolarHBondContact O-N 3.3Å
345W87Confident83.8Confident24 Ų2450 Ų509%0.09128%0.279CS..EExtended strand (participates in β ladder)trans-71145.5174.3-68.6105.7000112C297 S298 P300 L313 A319 L335 T336 C337 G347C297-W345 HydrophobicContact CB-CD2 4.32Å; C297-W345 HydrophobicContact CB-CH2 4.44Å; C297-W345 HydrophobicContact CB-CZ2 3.71Å; S298-W345 PolarHBondContact O-NE1 3.37Å; P300-W345 HydrophobicContact CG-CZ2 4.11Å; L313-W345 HydrophobicContact CD2-CH2 4.22Å; L313-W345 HydrophobicContact CD2-CZ2 3.69Å; A319-W345 HydrophobicContact CB-CH2 3.84Å; A319-W345 HydrophobicContact CB-CZ2 4.45Å; A319-W345 HydrophobicContact CB-CZ3 3.88Å; L335-W345 HydrophobicContact CB-CE3 3.86Å; L335-W345 HydrophobicContact CD1-CB 4.44Å; L335-W345 WeakPolarHBondContact O-CZ3 3.48Å; T336-W345 VanDerWaalsContact C-CE3 3.47Å; C337-W345 HydrophobicContact CB-CE3 4.23Å; C337-W345 HydrophobicContact CB-CH2 4.1Å; C337-W345 HydrophobicContact CB-CZ3 3.89Å; C337-W345 VanDerWaalsContact N-CZ3 3.34Å; W345-G347 PolarHBondContact O-N 2.86Å
346S88.1Confident83.5Confident62 Ų6251.8 Ų51.843%0.43429%0.291SS..SBendtrans-63.2-5.9-17761.70000115.6T336T336-S346 PolarHBondContact N-OG 3.02Å; T336-S346 WeakPolarHBondContact O-CB 3.48Å; T336-S346 PolarHBondContact O-N 2.83Å; T336-S346 PolarHBondContact O-OG 2.88Å
347G85.3Confident83.1Confident36 Ų3650.3 Ų50.337%0.37129%0.286SS..SBendtrans-171.6176.3-17800000110.8W345W345-G347 PolarHBondContact O-N 2.86Å
348K85.6Confident83Confident182 Ų18252 Ų5279%0.79130%0.304SS*.PPolyproline II helixtrans-76.6147.8176.3-172.2172.6-178.4175.80110.9
349E83.6Confident83.2Confident77 Ų7752.5 Ų52.536%0.3631%0.31SS..PPolyproline II helixtrans-58.4134178.9-52.595.7136.600111.6
350P88.8Confident83.6Confident5 Ų551.1 Ų51.13%0.03231%0.305CS..PPolyproline II helixtrans-73.4161.9177.733.8-38.1000111.5F321 L329 Q330 E332F321-P350 HydrophobicContact CB-CG 3.55Å; F321-P350 HydrophobicContact CD1-CG 3.66Å; F321-P350 HydrophobicContact CD2-CG 3.74Å; F321-P350 HydrophobicContact CE1-CG 4.26Å; F321-P350 HydrophobicContact CE2-CG 4.35Å; F321-P350 HydrophobicContact CG-CG 3.37Å; L329-P350 HydrophobicContact CD1-CB 3.76Å; L329-P350 HydrophobicContact CD1-CG 3.95Å; L329-P350 HydrophobicContact CD2-CB 4.12Å; L329-P350 HydrophobicContact CD2-CG 4.35Å; L329-P350 HydrophobicContact CG-CB 3.92Å; L329-P350 HydrophobicContact CG-CG 4.45Å; Q330-P350 WeakPolarHBondContact O-CA 3.43Å; E332-P350 WeakPolarHBondContact O-CG 3.29Å
351T85.4Confident84.3Confident65 Ų6556.1 Ų56.140%0.39932%0.32SS..EExtended strand (participates in β ladder)trans-124.1135.8179.858.20000111.4Q330Q330-T351 PolarHBondContact N-O 2.03Å; Q330-T351 PolarHBondContact O-N 2.03Å
352C85.6Confident85.1Confident10 Ų1059.4 Ų59.47%0.06833%0.334CS..EExtended strand (participates in β ladder)trans-85.7133.4174-65.20000110.2H304 C323 H328H304-C352 WeakPolarHBondContact O-CB 3.27Å; C323-C352 WeakPolarHBondContact CA-SG 3.42Å; C323-C352 HydrophobicContact CB-CB 3.82Å; C323-C352 WeakPolarHBondContact CB-SG 3.37Å; C323-C352 VanDerWaalsContact SG-CA 3.56Å; C323-C352 WeakPolarHBondContact SG-CB 3.07Å; C323-C352 CovalentContact SG-SG 2.04Å; C323-C352 PolarHBondContact SG-SG 3.42Å; H328-C352 WeakPolarHBondContact O-CA 3.5Å
353R81.6Confident85.4Confident65 Ų6557.9 Ų57.925%0.24533%0.327CS..EExtended strand (participates in β ladder)trans-141.3140.2-177.3-74-176.9166.2174.4-11.4112.4H328H328-R353 PolarHBondContact N-O 2.92Å; H328-R353 PolarHBondContact O-N 3.02Å
354A83.1Confident85.6Confident4 Ų460.7 Ų60.73%0.03334%0.344CS..  trans-80.3131.9171.100000109.9Y327 L369 S370 S372Y327-A354 HydrophobicContact CD1-CB 4.33Å; Y327-A354 HydrophobicContact CE1-CB 4.34Å; A354-L369 HydrophobicContact CB-CB 3.88Å; A354-L369 HydrophobicContact CB-CD1 4.32Å; A354-S370 WeakPolarHBondContact CB-O 3.06Å; A354-S372 PolarHBondContact N-OG 3.32Å; A354-S372 PolarHBondContact O-N 2.94Å
355L83.6Confident85.6Confident95 Ų9560.9 Ų60.950%0.49735%0.345SS..  trans-92.8141.2-175.7-59.9178.4000111.9H328 G357 W387H328-L355 HydrophobicContact CB-CD1 3.94Å; H328-L355 HydrophobicContact CB-CG 4.12Å; L355-G357 PolarHBondContact O-N 2.67Å; L355-W387 WeakPolarHBondContact O-CZ2 3.38Å; L355-W387 PolarHBondContact O-NE1 3.04Å
356C83.5Confident85.6Confident38 Ų3860 Ų6026%0.25734%0.343SS..SBendtrans-70.9106.1173179.70000110.7P371 C385C356-P371 HydrophobicContact CB-CB 4.2Å; C356-P371 HydrophobicContact CB-CG 4.25Å; C356-C385 HydrophobicContact CB-CB 4.09Å; C356-C385 WeakPolarHBondContact CB-SG 3.02Å; C356-C385 VanDerWaalsContact SG-CA 3.51Å; C356-C385 WeakPolarHBondContact SG-CB 3.42Å; C356-C385 CovalentContact SG-SG 2.03Å; C356-C385 PolarHBondContact SG-SG 3.14Å
357G82.9Confident85.6Confident19 Ų1961 Ų6120%0.19634%0.337CS..  trans76.6177176.600000116L355 S386 W387L355-G357 PolarHBondContact O-N 2.67Å; G357-S386 CarbonylContact C-O 3.6Å; G357-S386 WeakPolarHBondContact CA-O 3.45Å; G357-W387 PolarHBondContact O-NE1 3.44Å
358G86Confident85.7Confident37 Ų3759.6 Ų59.638%0.38132%0.321SS..EExtended strand (participates in β ladder)trans154.4-177.5177.500000114.7S386 W387 S388G358-S386 PolarHBondContact N-O 3.06Å; G358-S386 VanDerWaalsContact N-O 3.09Å; G358-W387 CarbonylContact O-C 3.43Å; G358-W387 WeakPolarHBondContact O-CA 3.37Å; G358-S388 PolarHBondContact O-N 3.29Å; G358-S388 PolarHBondContact O-OG 3.03Å
359T88.8Confident85.7Confident97 Ų9751.4 Ų51.460%0.59529%0.286SS*.EExtended strand (participates in β ladder)trans-135.6122.7175-56.40000110.6K361 S388T359-K361 HydrophobicContact CG2-CG 4.23Å; T359-S388 CarbonylContact C-O 3.51Å; T359-S388 WeakPolarHBondContact CA-O 3.41Å; T359-S388 WeakPolarHBondContact CA-OG 3.31Å; T359-S388 WeakPolarHBondContact CB-OG 3.45Å; T359-S388 PolarHBondContact OG1-OG 3.27Å
360V87.3Confident85.7Confident57 Ų5749.5 Ų49.535%0.34528%0.281SS..EExtended strand (participates in β ladder)trans-110.6120.3173.2-170.30000108.5A363 S388 L389 E390V360-A363 HydrophobicContact CB-CB 4.26Å; V360-A363 HydrophobicContact CG1-CB 3.79Å; V360-S388 PolarHBondContact N-O 2.83Å; V360-L389 HydrophobicContact CB-CD2 3.88Å; V360-L389 HydrophobicContact CG2-CD2 3.84Å; V360-E390 PolarHBondContact O-N 3.4Å
361K88.7Confident85.3Confident143 Ų14350.8 Ų50.862%0.62229%0.29SS*.EExtended strand (participates in β ladder)trans-106.5146.4175.7-66.9-171.8167.3-870110.5T359 A363 E390T359-K361 HydrophobicContact CG2-CG 4.23Å; K361-A363 PolarHBondContact O-N 2.91Å; K361-E390 CarbonylContact C-O 3.59Å; K361-E390 WeakPolarHBondContact CG-OE2 3.41Å; K361-E390 IonicContact NZ-OE1 3.78Å; K361-E390 IonicContact NZ-OE2 2.58Å; K361-E390 PolarHBondContact NZ-OE2 2.88Å
362N87.9Confident84.7Confident107 Ų10749 Ų4957%0.57228%0.28SS*.SBendtrans5443.1-170.7-160.492000111T364 E390N362-T364 PolarHBondContact O-N 3.17Å; N362-T364 VanDerWaalsContact O-N 3.12Å; N362-E390 CarbonylContact C-O 3.6Å; N362-E390 WeakPolarHBondContact CA-O 3.42Å; N362-E390 PolarHBondContact N-O 2.97Å
363A84.8Confident83.8Confident3 Ų350 Ų503%0.02529%0.286CS..  trans-67.7102.9-176.800000110V360 K361 E390 Y461 A463V360-A363 HydrophobicContact CB-CB 4.26Å; V360-A363 HydrophobicContact CG1-CB 3.79Å; K361-A363 PolarHBondContact O-N 2.91Å; A363-E390 PolarHBondContact N-O 2.92Å; A363-Y461 HydrophobicContact CB-CD2 4.39Å; A363-Y461 HydrophobicContact CB-CE2 3.81Å; A363-A463 WeakPolarHBondContact O-CB 3.48Å
364T84.8Confident82.8Confident76 Ų7651.8 Ų51.847%0.46630%0.297SS..  trans-95.4-50.8-18047.90000112.7N362 P392 E462 A463N362-T364 PolarHBondContact O-N 3.17Å; N362-T364 VanDerWaalsContact O-N 3.12Å; T364-P392 HydrophobicContact CG2-CG 3.84Å; T364-E462 CarbonylContact O-C 3.49Å; T364-E462 VanDerWaalsContact O-CA 3.29Å; T364-E462 WeakPolarHBondContact O-CA 3.35Å; T364-A463 PolarHBondContact O-N 3.43Å
365V85.9Confident81.3Confident77 Ų7758.2 Ų58.247%0.46733%0.326SS..EExtended strand (participates in β ladder)trans-146.7141.7173.5178.40000109Y461 E462V365-Y461 WeakPolarHBondContact CA-O 3.07Å; V365-E462 HydrophobicContact CG2-CB 4.38Å
366G86.4Confident80Confident4 Ų455.9 Ų55.94%0.04133%0.325CS..EExtended strand (participates in β ladder)trans177.6-164.2171.200000113.7R460 Y461G366-R460 WeakPolarHBondContact O-CA 3.25Å; G366-Y461 VanDerWaalsContact C-CE1 3.42Å; G366-Y461 VanDerWaalsContact CA-CZ 3.48Å; G366-Y461 PolarHBondContact N-O 2.82Å; G366-Y461 PolarHBondContact O-N 2.93Å
367R87.5Confident78.3Confident85 Ų8560.7 Ų60.732%0.32136%0.356SS..EExtended strand (participates in β ladder)trans-134149.3177.5-66.7-174.7176.9-158.2-2.6112.2L369 E402 N458 I459 R460R367-L369 HydrophobicContact CB-CD2 4.16Å; R367-L369 HydrophobicContact CB-CG 4.4Å; R367-E402 VanDerWaalsContact CZ-CD 3.47Å; R367-E402 IonicContact CZ-OE1 2.73Å; R367-E402 VanDerWaalsContact CZ-OE1 3.24Å; R367-E402 IonicContact CZ-OE2 2.78Å; R367-E402 IonicContact NE-OE1 3.21Å; R367-E402 IonicContact NE-OE2 3.83Å; R367-E402 IonicContact NH1-OE2 2.73Å; R367-E402 PolarHBondContact NH1-OE2 2.97Å; R367-E402 IonicContact NH2-OE1 3.61Å; R367-E402 PolarHBondContact NH2-OE1 2.92Å; R367-E402 IonicContact NH2-OE2 3.71Å; R367-E402 PolarHBondContact NH2-OE2 3.41Å; R367-N458 PolarHBondContact NH1-ND2 2.9Å; R367-I459 CarbonylContact C-O 3.45Å; R367-I459 VanDerWaalsContact CA-O 3.26Å; R367-I459 WeakPolarHBondContact CA-O 3.41Å; R367-R460 HydrophobicContact CG-CB 4.29Å
368V88.4Confident76.7Confident6 Ų667 Ų674%0.03639%0.385CS..EExtended strand (participates in β ladder)trans-121.2128167.4-175.80000107.3W387 L389 V444 F457 I459 Y461V368-W387 HydrophobicContact CG1-CB 4Å; V368-W387 HydrophobicContact CG1-CD2 3.42Å; V368-W387 VanDerWaalsContact CG1-CD2 3.42Å; V368-W387 HydrophobicContact CG1-CE3 3.83Å; V368-W387 HydrophobicContact CG1-CG 3.51Å; V368-W387 HydrophobicContact CG1-CZ2 4.44Å; V368-W387 HydrophobicContact CG1-CZ3 4.49Å; V368-L389 HydrophobicContact CG2-CD1 4.17Å; V368-L389 HydrophobicContact CG2-CD2 4.14Å; V368-V444 HydrophobicContact CG1-CG1 4.45Å; V368-F457 HydrophobicContact CG1-CE2 4.16Å; V368-I459 HydrophobicContact CB-CB 4.47Å; V368-I459 PolarHBondContact N-O 2.9Å; V368-I459 PolarHBondContact O-N 3.15Å; V368-Y461 HydrophobicContact CG2-CD1 4.01Å; V368-Y461 HydrophobicContact CG2-CE1 3.91Å
369L85.1Confident75.1Confident10 Ų1067.3 Ų67.35%0.05238%0.384CS..EExtended strand (participates in β ladder)trans-127154-165.8-57.4176.3000110.9Y327 A354 R367 W387 N458Y327-L369 HydrophobicContact CD1-CD1 4.39Å; Y327-L369 HydrophobicContact CD2-CD1 3.48Å; Y327-L369 VanDerWaalsContact CD2-CD1 3.48Å; Y327-L369 HydrophobicContact CE1-CD1 4.17Å; Y327-L369 HydrophobicContact CE2-CD1 3.2Å; Y327-L369 HydrophobicContact CG-CD1 4.06Å; A354-L369 HydrophobicContact CB-CB 3.88Å; A354-L369 HydrophobicContact CB-CD1 4.32Å; R367-L369 HydrophobicContact CB-CD2 4.16Å; R367-L369 HydrophobicContact CB-CG 4.4Å; L369-W387 WeakPolarHBondContact O-CZ2 3.07Å; L369-N458 HydrophobicContact CD2-CB 3.95Å; L369-N458 WeakPolarHBondContact CD2-OD1 3.28Å
370S82.8Confident73.3Confident36 Ų3667.5 Ų67.525%0.25239%0.385SS..PPolyproline II helixtrans-56.6131.8168.141.70000111.2A354 G456 F457A354-S370 WeakPolarHBondContact CB-O 3.06Å; S370-G456 WeakPolarHBondContact OG-CA 3.48Å; S370-F457 PolarHBondContact N-O 2.79Å; S370-F457 PolarHBondContact OG-N 2.96Å; S370-F457 PolarHBondContact OG-O 2.89Å
371P81.4Confident71.8Confident33 Ų3369.9 Ų69.921%0.21440%0.396CS..PPolyproline II helixtrans-60.3141.1-175.1-17.927.4000112.5C356 C385 W387 F446C356-P371 HydrophobicContact CB-CB 4.2Å; C356-P371 HydrophobicContact CB-CG 4.25Å; P371-C385 HydrophobicContact CG-CB 4.14Å; P371-C385 WeakPolarHBondContact CG-SG 3.43Å; P371-W387 HydrophobicContact CG-CH2 4Å; P371-W387 HydrophobicContact CG-CZ2 4.11Å; P371-F446 HydrophobicContact CG-CD1 4.48Å
372S72.8Confident70.4Confident27 Ų2767.2 Ų67.219%0.18939%0.388CS..PPolyproline II helixtrans-73.3134.4174.1-59.90000111A354 H374A354-S372 PolarHBondContact N-OG 3.32Å; A354-S372 PolarHBondContact O-N 2.94Å; S372-H374 PolarHBondContact O-N 2.96Å
373P66.6Low69.6Low32 Ų3269.4 Ų69.421%0.20839%0.388CS..PPolyproline II helixtrans-54126.7-179-29.436000113.3P451P373-P451 HydrophobicContact CB-CB 4.43Å; P373-P451 HydrophobicContact CG-CB 4.33Å
374H59.7Low69.4Low102 Ų10272 Ų7247%0.47241%0.407SS..PPolyproline II helixtrans-70134.7175.8-69.8-50.2000110.8S372 A379S372-H374 PolarHBondContact O-N 2.96Å; H374-A379 HydrophobicContact CB-CB 3.97Å
375H53.3Low69.4Low139 Ų13968.7 Ų68.764%0.64439%0.386SS*.  trans-123.2108174-69.21000108.7
376G55.9Low69.6Low46 Ų4667.3 Ų67.347%0.47438%0.38SS..SBendtrans168158.8178.800000112N378 A379G376-N378 PolarHBondContact O-N 3.41Å; G376-A379 WeakPolarHBondContact O-CB 3.19Å; G376-A379 PolarHBondContact O-N 3.42Å
377P47.5Very low69.8Low138 Ų13868.2 Ų68.290%0.89638%0.382SS*.THydrogen-bonded Turntrans-69-17.4-173.927.7-35.7000114.4
378N48.7Very low70Confident152 Ų15265.1 Ų65.181%0.81337%0.373SS*.THydrogen-bonded Turntrans-105.726.6177.1-67.6-0.4000112.3G376 T380G376-N378 PolarHBondContact O-N 3.41Å; N378-T380 PolarHBondContact O-N 2.89Å
379A52.8Low70.1Confident44 Ų4464.9 Ų64.936%0.36437%0.372SS..  trans-70.991.8175.800000111H374 G376 L381H374-A379 HydrophobicContact CB-CB 3.97Å; G376-A379 WeakPolarHBondContact O-CB 3.19Å; G376-A379 PolarHBondContact O-N 3.42Å; A379-L381 PolarHBondContact O-N 3.19Å
380T50.5Low70.5Confident101 Ų10167.8 Ų67.862%0.6239%0.385SS*.  trans-62.6124.9157.5420000108.3N378 D382N378-T380 PolarHBondContact O-N 2.89Å; T380-D382 PolarHBondContact O-N 2.82Å
381L57.3Low70.7Confident107 Ų10766.5 Ų66.556%0.5638%0.377SS*.  trans-73.296.9170-83.676000108A379 R383A379-L381 PolarHBondContact O-N 3.19Å; L381-R383 HydrophobicContact CB-CG 4.35Å; L381-R383 PolarHBondContact O-N 2.82Å
382D59.2Low71.1Confident86 Ų8666 Ų6646%0.4637%0.373SS..  trans-71.377.9171.7-73.4-18.5000109.8T380 S384T380-D382 PolarHBondContact O-N 2.82Å; D382-S384 PolarHBondContact O-N 2.62Å
383R69.7Low71.4Confident153 Ų15373.8 Ų73.858%0.57740%0.404SS*.  trans-60.90.3-178.4-72.9180158.8177-9115.4L381 I447 T448L381-R383 HydrophobicContact CB-CG 4.35Å; L381-R383 PolarHBondContact O-N 2.82Å; R383-I447 VanDerWaalsContact O-CA 3.29Å; R383-I447 WeakPolarHBondContact O-CA 3.35Å; R383-I447 WeakPolarHBondContact O-CG2 3.05Å; R383-T448 WeakPolarHBondContact CA-O 3.02Å; R383-T448 WeakPolarHBondContact CB-O 3.11Å; R383-T448 WeakPolarHBondContact CG-O 3.41Å; R383-T448 PolarHBondContact O-N 2.73Å
384S81.3Confident71.9Confident59 Ų5977.6 Ų77.641%0.41342%0.423SS..EExtended strand (participates in β ladder)trans-150.990.8179.9169.70000110.6D382 Q445 F446D382-S384 PolarHBondContact O-N 2.62Å; S384-Q445 PolarHBondContact OG-NE2 2.92Å; S384-F446 CarbonylContact C-O 3.58Å; S384-F446 VanDerWaalsContact CA-O 3.27Å; S384-F446 WeakPolarHBondContact CA-O 3.43Å
385C85.7Confident73.1Confident5 Ų574.3 Ų74.33%0.03441%0.408CS..EExtended strand (participates in β ladder)trans-82.7144.7173.8-57.80000110.9C356 P371 W387 Q445 F446C356-C385 HydrophobicContact CB-CB 4.09Å; C356-C385 WeakPolarHBondContact CB-SG 3.02Å; C356-C385 VanDerWaalsContact SG-CA 3.51Å; C356-C385 WeakPolarHBondContact SG-CB 3.42Å; C356-C385 CovalentContact SG-SG 2.03Å; C356-C385 PolarHBondContact SG-SG 3.14Å; P371-C385 HydrophobicContact CG-CB 4.14Å; P371-C385 WeakPolarHBondContact CG-SG 3.43Å; C385-W387 HydrophobicContact CB-CE3 4.45Å; C385-W387 HydrophobicContact CB-CH2 3.31Å; C385-W387 HydrophobicContact CB-CZ2 3.89Å; C385-W387 HydrophobicContact CB-CZ3 3.64Å; C385-Q445 WeakPolarHBondContact O-CA 3.5Å; C385-F446 PolarHBondContact N-O 2.91Å; C385-F446 PolarHBondContact O-N 3.4Å
386S88.7Confident74.5Confident48 Ų4869.7 Ų69.734%0.33639%0.385SS..EExtended strand (participates in β ladder)trans-142118.4-175.8-169.20000110.9G357 G358 V444G357-S386 CarbonylContact C-O 3.6Å; G357-S386 WeakPolarHBondContact CA-O 3.45Å; G358-S386 PolarHBondContact N-O 3.06Å; G358-S386 VanDerWaalsContact N-O 3.09Å; S386-V444 CarbonylContact C-O 3.54Å; S386-V444 WeakPolarHBondContact CA-O 3.35Å
387W91.2Very high75.9Confident23 Ų2367.5 Ų67.59%0.08736%0.362CS..EExtended strand (participates in β ladder)trans-108.8145.2176.4-56.4-100.4000109.7L355 G357 G358 V368 L369 P371 C385 R443 V444 F446 F457L355-W387 WeakPolarHBondContact O-CZ2 3.38Å; L355-W387 PolarHBondContact O-NE1 3.04Å; G357-W387 PolarHBondContact O-NE1 3.44Å; G358-W387 CarbonylContact O-C 3.43Å; G358-W387 WeakPolarHBondContact O-CA 3.37Å; V368-W387 HydrophobicContact CG1-CB 4Å; V368-W387 HydrophobicContact CG1-CD2 3.42Å; V368-W387 VanDerWaalsContact CG1-CD2 3.42Å; V368-W387 HydrophobicContact CG1-CE3 3.83Å; V368-W387 HydrophobicContact CG1-CG 3.51Å; V368-W387 HydrophobicContact CG1-CZ2 4.44Å; V368-W387 HydrophobicContact CG1-CZ3 4.49Å; L369-W387 WeakPolarHBondContact O-CZ2 3.07Å; P371-W387 HydrophobicContact CG-CH2 4Å; P371-W387 HydrophobicContact CG-CZ2 4.11Å; C385-W387 HydrophobicContact CB-CE3 4.45Å; C385-W387 HydrophobicContact CB-CH2 3.31Å; C385-W387 HydrophobicContact CB-CZ2 3.89Å; C385-W387 HydrophobicContact CB-CZ3 3.64Å; W387-R443 WeakPolarHBondContact O-CA 3.35Å; W387-V444 HydrophobicContact CB-CB 4.44Å; W387-V444 HydrophobicContact CE3-CB 4.28Å; W387-V444 HydrophobicContact CE3-CG1 4.18Å; W387-V444 PolarHBondContact N-O 2.96Å; W387-V444 PolarHBondContact O-N 3.43Å; W387-F446 HydrophobicContact CH2-CB 4.16Å; W387-F446 HydrophobicContact CZ3-CB 3.77Å; W387-F457 HydrophobicContact CH2-CE1 4.35Å; W387-F457 AromaticContact CH2-CZ 3.7Å; W387-F457 HydrophobicContact CH2-CZ 3.7Å; W387-F457 HydrophobicContact CZ2-CZ 4.48Å; W387-F457 AromaticContact CZ3-CZ 3.79Å; W387-F457 HydrophobicContact CZ3-CZ 3.79Å
388S91.6Very high77.6Confident20 Ų2061 Ų6114%0.1432%0.319CS..EExtended strand (participates in β ladder)trans-126.6124.5179.839.60000109.5G358 T359 V360G358-S388 PolarHBondContact O-N 3.29Å; G358-S388 PolarHBondContact O-OG 3.03Å; T359-S388 CarbonylContact C-O 3.51Å; T359-S388 WeakPolarHBondContact CA-O 3.41Å; T359-S388 WeakPolarHBondContact CA-OG 3.31Å; T359-S388 WeakPolarHBondContact CB-OG 3.45Å; T359-S388 PolarHBondContact OG1-OG 3.27Å; V360-S388 PolarHBondContact N-O 2.83Å
389L91.4Very high79.2Confident1 Ų153.8 Ų53.81%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-117130.1-177.6-54.8176.7000108.1V360 V368 L397 L399 A441 V442 Y461V360-L389 HydrophobicContact CB-CD2 3.88Å; V360-L389 HydrophobicContact CG2-CD2 3.84Å; V368-L389 HydrophobicContact CG2-CD1 4.17Å; V368-L389 HydrophobicContact CG2-CD2 4.14Å; L389-L397 HydrophobicContact CB-CD1 3.57Å; L389-L397 HydrophobicContact CD1-CD1 4.36Å; L389-L399 HydrophobicContact CD1-CD2 3.94Å; L389-A441 CarbonylContact O-C 3.56Å; L389-A441 WeakPolarHBondContact O-CA 3.32Å; L389-V442 PolarHBondContact N-O 2.96Å; L389-V442 PolarHBondContact O-N 3.44Å; L389-Y461 HydrophobicContact CD1-CD1 3.67Å; L389-Y461 HydrophobicContact CD1-CD2 4.47Å; L389-Y461 HydrophobicContact CD1-CE1 4.13Å; L389-Y461 HydrophobicContact CD1-CG 3.85Å; L389-Y461 HydrophobicContact CD2-CD1 4.2Å; L389-Y461 HydrophobicContact CD2-CE1 3.78Å
390E91.7Very high80.4Confident71 Ų7153.4 Ų53.433%0.33227%0.271SS..EExtended strand (participates in β ladder)trans-130.8108178.8-177-179.9-155.700108.4V360 K361 N362 A363V360-E390 PolarHBondContact O-N 3.4Å; K361-E390 CarbonylContact C-O 3.59Å; K361-E390 WeakPolarHBondContact CG-OE2 3.41Å; K361-E390 IonicContact NZ-OE1 3.78Å; K361-E390 IonicContact NZ-OE2 2.58Å; K361-E390 PolarHBondContact NZ-OE2 2.88Å; N362-E390 CarbonylContact C-O 3.6Å; N362-E390 WeakPolarHBondContact CA-O 3.42Å; N362-E390 PolarHBondContact N-O 2.97Å; A363-E390 PolarHBondContact N-O 2.92Å
391A89Confident81.8Confident10 Ų1049.8 Ų49.88%0.08325%0.248CC..PPolyproline II helixtrans-70.3168-178.800000112.5L397 P440 A463A391-L397 HydrophobicContact CB-CD2 3.92Å; A391-L397 HydrophobicContact CB-CG 4Å; A391-P440 HydrophobicContact CB-CB 4.43Å; A391-P440 WeakPolarHBondContact CB-O 3.45Å; A391-P440 PolarHBondContact N-O 2.82Å; A391-A463 HydrophobicContact CB-CB 4.24Å
392P87.8Confident82.5Confident21 Ų2145.7 Ų45.714%0.13623%0.226CC..SBendtrans-55.9162.6163.7-22.834.8000112.7T364 D394 Q395T364-P392 HydrophobicContact CG2-CG 3.84Å; P392-D394 PolarHBondContact O-N 3.34Å; P392-Q395 PolarHBondContact O-N 2.8Å
393K80.6Confident83.2Confident192 Ų19246.2 Ų46.284%0.83522%0.222SC*.THydrogen-bonded Turntrans-61.1139.6-177.4-70-174.5177.8-178.40112Q395K393-Q395 PolarHBondContact O-N 2.78Å; K393-Q395 VanDerWaalsContact O-N 3.08Å
394D76.9Confident83.5Confident111 Ų11141.1 Ų41.159%0.59421%0.206SC*.THydrogen-bonded Turntrans61.15.8178.1-68.3-67.7000116.7P392 R466P392-D394 PolarHBondContact O-N 3.34Å; D394-R466 IonicContact OD1-CZ 3.88Å; D394-R466 IonicContact OD1-NH1 2.77Å; D394-R466 PolarHBondContact OD1-NH1 2.94Å
395Q83.5Confident83.1Confident34 Ų3440 Ų4016%0.15920%0.2CC..  trans-89.6159.8167.8-67.2-177.7-16.100111.5P392 K393 P440 A463 F464 E465P392-Q395 PolarHBondContact O-N 2.8Å; K393-Q395 PolarHBondContact O-N 2.78Å; K393-Q395 VanDerWaalsContact O-N 3.08Å; Q395-P440 WeakPolarHBondContact O-CA 3.41Å; Q395-P440 WeakPolarHBondContact O-CB 3.35Å; Q395-A463 HydrophobicContact CB-CB 4.35Å; Q395-F464 WeakPolarHBondContact CA-O 3.33Å; Q395-F464 VanDerWaalsContact CB-O 3.25Å; Q395-F464 WeakPolarHBondContact CB-O 3.41Å; Q395-E465 HydrophobicContact CG-CG 4.25Å; Q395-E465 PolarHBondContact NE2-OE1 2.78Å
396R84.1Confident82.6Confident42 Ų4242 Ų4216%0.15821%0.21CC..EExtended strand (participates in β ladder)trans-113159.3169.8-78.5174.8167162.8-8.3109.3S437 E438 A463 F464 D516R396-S437 WeakPolarHBondContact CD-O 3.04Å; R396-S437 VanDerWaalsContact CG-O 3.26Å; R396-S437 WeakPolarHBondContact CG-O 3.06Å; R396-S437 PolarHBondContact NE-O 3.24Å; R396-E438 PolarHBondContact NE-O 3.37Å; R396-A463 VanDerWaalsContact O-CA 3.28Å; R396-A463 WeakPolarHBondContact O-CA 3.31Å; R396-F464 HydrophobicContact CB-CD1 4.2Å; R396-F464 HydrophobicContact CB-CE1 3.57Å; R396-F464 HydrophobicContact CB-CE2 4.33Å; R396-F464 HydrophobicContact CB-CZ 3.65Å; R396-F464 PolarHBondContact N-O 3.12Å; R396-F464 WeakPolarHBondContact O-CD1 3.48Å; R396-F464 PolarHBondContact O-N 3.21Å; R396-D516 IonicContact CZ-OD1 2.88Å; R396-D516 IonicContact NH1-OD1 3.7Å; R396-D516 PolarHBondContact NH1-OD1 2.7Å; R396-D516 IonicContact NH1-OD2 2.78Å; R396-D516 IonicContact NH2-OD1 2.87Å; R396-D516 IonicContact NH2-OD2 2.73Å; R396-D516 PolarHBondContact NH2-OD2 3.13Å
397L85Confident81.6Confident0 Ų040.2 Ų40.20%020%0.2CC..EExtended strand (participates in β ladder)trans-95.3127.4170.2-67171000109.5L389 A391 L399 S437 V442 Y461 E462 A463L389-L397 HydrophobicContact CB-CD1 3.57Å; L389-L397 HydrophobicContact CD1-CD1 4.36Å; A391-L397 HydrophobicContact CB-CD2 3.92Å; A391-L397 HydrophobicContact CB-CG 4Å; L397-L399 HydrophobicContact CB-CD1 3.8Å; L397-S437 PolarHBondContact N-OG 3.39Å; L397-S437 PolarHBondContact O-N 2.88Å; L397-S437 PolarHBondContact O-OG 3.23Å; L397-V442 HydrophobicContact CB-CG2 4.35Å; L397-V442 HydrophobicContact CD1-CB 4.09Å; L397-V442 HydrophobicContact CD1-CG2 4.06Å; L397-Y461 HydrophobicContact CD2-CD2 4.38Å; L397-E462 CarbonylContact C-O 3.22Å; L397-E462 WeakPolarHBondContact CA-O 3.11Å; L397-A463 HydrophobicContact CD2-CB 4.15Å
398H83.1Confident80.6Confident1 Ų146 Ų461%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-95.2134159.3175.1-137.6000107.6G434 Y461 E462 F464 Y470H398-G434 WeakPolarHBondContact NE2-CA 3.47Å; H398-Y461 VanDerWaalsContact O-CA 3.3Å; H398-Y461 WeakPolarHBondContact O-CA 3.35Å; H398-E462 HydrophobicContact CB-CG 3.89Å; H398-E462 IonicContact CE1-OE1 3.98Å; H398-E462 IonicContact CG-OE1 3.87Å; H398-E462 PolarHBondContact N-O 3.45Å; H398-E462 IonicContact ND1-OE1 3.61Å; H398-E462 PolarHBondContact ND1-OE1 2.81Å; H398-E462 PolarHBondContact O-N 2.78Å; H398-F464 HydrophobicContact CB-CD1 3.87Å; H398-F464 HydrophobicContact CB-CE1 3.85Å; H398-Y470 AromaticContact CE1-CD2 3.24Å; H398-Y470 WeakPolarHBondContact CE1-CD2 3.34Å; H398-Y470 AromaticContact CE1-CE2 3.39Å; H398-Y470 WeakPolarHBondContact CE1-CE2 3.37Å; H398-Y470 AromaticContact CE1-CG 3.62Å; H398-Y470 AromaticContact CE1-CZ 3.85Å; H398-Y470 AromaticContact CG-CG 3.89Å; H398-Y470 AromaticContact ND1-CD2 3.5Å; H398-Y470 AromaticContact ND1-CG 3.51Å; H398-Y470 AromaticContact NE2-CD2 3.93Å; H398-Y470 AromaticContact NE2-CE1 3.91Å; H398-Y470 AromaticContact NE2-CE2 3.79Å; H398-Y470 AromaticContact NE2-CZ 3.76Å
399L83.3Confident79.7Confident0 Ų049 Ų490%026%0.258CS..EExtended strand (participates in β ladder)trans-124.8105.7-177.5-62.8101.7000109.5L389 L397 L401 L414 V435 V442 V444 I459 R460L389-L399 HydrophobicContact CD1-CD2 3.94Å; L397-L399 HydrophobicContact CB-CD1 3.8Å; L399-L401 WeakPolarHBondContact O-CD1 3.28Å; L399-L414 HydrophobicContact CB-CD2 4.42Å; L399-L414 HydrophobicContact CD2-CD2 3.86Å; L399-V435 HydrophobicContact CB-CB 4.39Å; L399-V435 PolarHBondContact N-O 2.85Å; L399-V435 PolarHBondContact O-N 2.64Å; L399-V442 HydrophobicContact CD1-CG1 4.31Å; L399-V442 HydrophobicContact CD1-CG2 3.98Å; L399-V442 HydrophobicContact CD2-CG1 4.1Å; L399-V444 HydrophobicContact CD2-CG2 4.5Å; L399-I459 HydrophobicContact CB-CG2 3.85Å; L399-I459 HydrophobicContact CD2-CG2 3.86Å; L399-I459 HydrophobicContact CG-CG2 4.39Å; L399-R460 CarbonylContact C-O 3.55Å; L399-R460 VanDerWaalsContact CA-O 3.31Å; L399-R460 WeakPolarHBondContact CA-O 3.38Å
400H77.9Confident79.1Confident36 Ų3649.6 Ų49.617%0.16726%0.261CS..EExtended strand (participates in β ladder)trans-92.8125.6179.4-172.395.4000110.2E402 I459 R460 Y473H400-E402 PolarHBondContact O-N 2.97Å; H400-I459 WeakPolarHBondContact O-CA 3.3Å; H400-R460 PolarHBondContact N-O 2.98Å; H400-R460 PolarHBondContact O-N 2.82Å; H400-Y473 AromaticContact CD2-CD1 3.65Å; H400-Y473 AromaticContact CE1-CD1 3.68Å; H400-Y473 AromaticContact NE2-CD1 3.37Å; H400-Y473 WeakPolarHBondContact NE2-CD1 3.42Å; H400-Y473 AromaticContact NE2-CE1 3.98Å
401L78.6Confident78.8Confident25 Ų2551.8 Ų51.813%0.13127%0.266CS..EExtended strand (participates in β ladder)trans-91.972.7-174.6-78.970.6000110.6L399 R403 P431 V435 N458 I459L399-L401 WeakPolarHBondContact O-CD1 3.28Å; L401-R403 PolarHBondContact O-N 3.04Å; L401-P431 HydrophobicContact CB-CG 4.46Å; L401-P431 HydrophobicContact CD2-CB 3.9Å; L401-P431 HydrophobicContact CD2-CG 3.57Å; L401-V435 HydrophobicContact CD1-CB 4.46Å; L401-V435 HydrophobicContact CD1-CG2 3.95Å; L401-N458 CarbonylContact C-O 3.43Å; L401-I459 HydrophobicContact CG-CG1 4.2Å
402E72.6Confident78.7Confident22 Ų2251.3 Ų51.310%0.10326%0.262CS..EExtended strand (participates in β ladder)trans-54.6-26.2-178.9-63.7-176.1-171.700113.9R367 H400 N458 R460 Y473R367-E402 VanDerWaalsContact CZ-CD 3.47Å; R367-E402 IonicContact CZ-OE1 2.73Å; R367-E402 VanDerWaalsContact CZ-OE1 3.24Å; R367-E402 IonicContact CZ-OE2 2.78Å; R367-E402 IonicContact NE-OE1 3.21Å; R367-E402 IonicContact NE-OE2 3.83Å; R367-E402 IonicContact NH1-OE2 2.73Å; R367-E402 PolarHBondContact NH1-OE2 2.97Å; R367-E402 IonicContact NH2-OE1 3.61Å; R367-E402 PolarHBondContact NH2-OE1 2.92Å; R367-E402 IonicContact NH2-OE2 3.71Å; R367-E402 PolarHBondContact NH2-OE2 3.41Å; H400-E402 PolarHBondContact O-N 2.97Å; E402-N458 HydrophobicContact CB-CB 4.35Å; E402-N458 WeakPolarHBondContact CB-ND2 3.15Å; E402-N458 PolarHBondContact N-O 3.46Å; E402-N458 PolarHBondContact OE2-ND2 3.14Å; E402-R460 HydrophobicContact CG-CB 4.22Å; E402-R460 VanDerWaalsContact OE1-CB 3.3Å; E402-R460 WeakPolarHBondContact OE1-CB 3.44Å; E402-R460 VanDerWaalsContact OE1-CD 3.31Å; E402-R460 WeakPolarHBondContact OE1-CD 3.37Å; E402-Y473 HydrophobicContact CG-CE1 4.19Å
403R73.8Confident78.7Confident96 Ų9650.6 Ų50.636%0.36226%0.258SS..EExtended strand (participates in β ladder)trans-149.2136.1169-175.6171.2171140.5-0.6110.2L401 F457 N458 E548L401-R403 PolarHBondContact O-N 3.04Å; R403-F457 CarbonylContact O-C 3.57Å; R403-F457 WeakPolarHBondContact O-CA 3.46Å; R403-N458 HydrophobicContact CB-CB 3.98Å; R403-N458 PolarHBondContact N-O 2.93Å; R403-N458 PolarHBondContact O-N 3.01Å; R403-E548 IonicContact CZ-OE1 2.75Å; R403-E548 IonicContact CZ-OE2 2.7Å; R403-E548 IonicContact NH1-OE1 3.63Å; R403-E548 PolarHBondContact NH1-OE1 2.85Å; R403-E548 IonicContact NH1-OE2 3.77Å; R403-E548 PolarHBondContact NH1-OE2 3.33Å; R403-E548 IonicContact NH2-OE2 2.68Å
404L75.5Confident79.1Confident46 Ų4641.5 Ų41.524%0.24122%0.218CC..EExtended strand (participates in β ladder)trans-140.9100.2166.1-171.669.4000111.1L406 L412 F426 P431 F457L404-L406 HydrophobicContact CD1-CD1 3.99Å; L404-L406 HydrophobicContact CD1-CD2 3.7Å; L404-L406 HydrophobicContact CD1-CG 3.62Å; L404-L406 HydrophobicContact CD2-CD1 4.31Å; L404-L406 HydrophobicContact CD2-CG 4.45Å; L404-L406 HydrophobicContact CG-CD1 4.33Å; L404-L406 HydrophobicContact CG-CG 3.95Å; L404-L412 HydrophobicContact CD1-CD2 3.45Å; L404-L412 VanDerWaalsContact CD1-CD2 3.45Å; L404-F426 HydrophobicContact CD2-CE1 4.01Å; L404-F426 HydrophobicContact CD2-CZ 3.61Å; L404-P431 HydrophobicContact CB-CG 4.44Å; L404-P431 HydrophobicContact CD2-CG 3.61Å; L404-F457 HydrophobicContact CD1-CB 3.77Å
405A72.6Confident79.6Confident36 Ų3639.1 Ų39.130%0.29820%0.201SC..EExtended strand (participates in β ladder)trans-121.484.7172.900000108.6T455 G456A405-T455 CarbonylContact O-C 3.59Å; A405-T455 WeakPolarHBondContact O-CA 3.45Å; A405-T455 VanDerWaalsContact O-CB 3.28Å; A405-T455 WeakPolarHBondContact O-CB 3.37Å; A405-G456 CarbonylContact C-O 3.56Å; A405-G456 PolarHBondContact N-O 3.29Å; A405-G456 PolarHBondContact O-N 3.17Å
406L75.2Confident79.7Confident46 Ų4638.2 Ų38.224%0.24120%0.198CC..  trans-86.9139.5178.9-61.1-177.9000110.9L404 D410 L412 S428 F446L404-L406 HydrophobicContact CD1-CD1 3.99Å; L404-L406 HydrophobicContact CD1-CD2 3.7Å; L404-L406 HydrophobicContact CD1-CG 3.62Å; L404-L406 HydrophobicContact CD2-CD1 4.31Å; L404-L406 HydrophobicContact CD2-CG 4.45Å; L404-L406 HydrophobicContact CG-CD1 4.33Å; L404-L406 HydrophobicContact CG-CG 3.95Å; L406-D410 HydrophobicContact CB-CB 4.08Å; L406-D410 HydrophobicContact CD2-CB 4.21Å; L406-L412 HydrophobicContact CD1-CB 3.95Å; L406-L412 HydrophobicContact CD2-CB 4.21Å; L406-S428 WeakPolarHBondContact CD1-OG 3.15Å; L406-F446 HydrophobicContact CD2-CD2 4.4Å; L406-F446 HydrophobicContact CD2-CE2 3.86Å
407G68.7Low79.8Confident12 Ų1236.8 Ų36.812%0.12420%0.197CC..  trans-66.5163.9166.200000111.9T409 D410G407-T409 PolarHBondContact O-N 3.09Å; G407-D410 WeakPolarHBondContact CA-OD2 3.35Å; G407-D410 PolarHBondContact N-OD2 3.21Å; G407-D410 PolarHBondContact O-N 2.73Å
408P70.1Confident79.6Confident143 Ų14339.7 Ų39.793%0.92921%0.212SC*.THydrogen-bonded Turntrans-64.7-10.4-178.228.8-36.8000114.1
409T72.7Confident79.4Confident84 Ų8445.9 Ų45.952%0.51525%0.245SC..THydrogen-bonded Turntrans-113.2-10177.842.40000113.4G407 D449G407-T409 PolarHBondContact O-N 3.09Å; T409-D449 VanDerWaalsContact CB-OD1 3.25Å; T409-D449 WeakPolarHBondContact CB-OD1 3.27Å; T409-D449 PolarHBondContact OG1-OD1 2.89Å
410D79.4Confident78.4Confident13 Ų1351 Ų517%0.0729%0.287CS..  trans-81.5141.5-178.5-69.5-35.1000111L406 G407 F446 I447 T448 T455L406-D410 HydrophobicContact CB-CB 4.08Å; L406-D410 HydrophobicContact CD2-CB 4.21Å; G407-D410 WeakPolarHBondContact CA-OD2 3.35Å; G407-D410 PolarHBondContact N-OD2 3.21Å; G407-D410 PolarHBondContact O-N 2.73Å; D410-F446 HydrophobicContact CB-CE2 4.09Å; D410-F446 HydrophobicContact CB-CZ 4.5Å; D410-I447 CarbonylContact C-O 3.49Å; D410-I447 WeakPolarHBondContact CA-O 3.45Å; D410-T448 VanDerWaalsContact OD1-CA 3.32Å; D410-T448 WeakPolarHBondContact OD1-CA 3.48Å; D410-T448 WeakPolarHBondContact OD1-CB 3.28Å; D410-T448 PolarHBondContact OD1-OG1 3.33Å; D410-T455 PolarHBondContact OD2-OG1 2.97Å
411R84.9Confident77.9Confident118 Ų11852.9 Ų52.945%0.44532%0.316SS..EExtended strand (participates in β ladder)trans-129125.1177.8-163-179.6-178.6177.71.1112.8V413 D427 S428 F446 I447R411-V413 HydrophobicContact CG-CG2 4Å; R411-D427 IonicContact CZ-OD1 2.89Å; R411-D427 VanDerWaalsContact CZ-OD1 3.29Å; R411-D427 IonicContact CZ-OD2 2.71Å; R411-D427 IonicContact NE-OD1 2.81Å; R411-D427 PolarHBondContact NE-OD1 3.04Å; R411-D427 IonicContact NE-OD2 2.66Å; R411-D427 VanDerWaalsContact NH2-CG 3.25Å; R411-D427 IonicContact NH2-OD1 3.85Å; R411-D427 PolarHBondContact NH2-OD1 3Å; R411-D427 IonicContact NH2-OD2 3.72Å; R411-D427 PolarHBondContact NH2-OD2 2.71Å; R411-S428 VanDerWaalsContact CA-OG 3.29Å; R411-S428 WeakPolarHBondContact CA-OG 3.42Å; R411-F446 CarbonylContact O-C 3.49Å; R411-F446 WeakPolarHBondContact O-CA 3.44Å; R411-I447 HydrophobicContact CB-CB 4.3Å; R411-I447 PolarHBondContact N-O 2.95Å; R411-I447 PolarHBondContact O-N 3.42Å
412L86.4Confident78Confident0 Ų052.6 Ų52.60%032%0.316CS..EExtended strand (participates in β ladder)trans-115124.8173.4-176.671.5000109.6L404 L406 L414 F426 D427 S428 V444 Q445 F446 F457 I459L404-L412 HydrophobicContact CD1-CD2 3.45Å; L404-L412 VanDerWaalsContact CD1-CD2 3.45Å; L406-L412 HydrophobicContact CD1-CB 3.95Å; L406-L412 HydrophobicContact CD2-CB 4.21Å; L412-L414 HydrophobicContact CD2-CD1 4.36Å; L412-L414 HydrophobicContact CG-CD1 4.34Å; L412-F426 HydrophobicContact CD2-CE1 4.36Å; L412-D427 WeakPolarHBondContact O-CA 3.31Å; L412-S428 PolarHBondContact N-OG 3.3Å; L412-S428 VanDerWaalsContact N-OG 3.08Å; L412-S428 PolarHBondContact O-N 2.66Å; L412-V444 HydrophobicContact CD1-CG1 3.85Å; L412-Q445 WeakPolarHBondContact CA-O 3.07Å; L412-F446 HydrophobicContact CD1-CB 4.08Å; L412-F446 HydrophobicContact CD1-CD2 4.34Å; L412-F457 HydrophobicContact CD1-CD1 4.21Å; L412-F457 HydrophobicContact CD1-CD2 4.44Å; L412-F457 HydrophobicContact CD1-CE1 4.16Å; L412-F457 HydrophobicContact CD1-CE2 4.38Å; L412-F457 HydrophobicContact CD1-CG 4.37Å; L412-F457 HydrophobicContact CD1-CZ 4.25Å; L412-F457 HydrophobicContact CD2-CB 4.37Å; L412-F457 HydrophobicContact CD2-CG 4.28Å; L412-I459 HydrophobicContact CD1-CD1 4.47Å; L412-I459 HydrophobicContact CD2-CD1 4.27Å
413V87.4Confident78.3Confident6 Ų655.1 Ų55.14%0.03633%0.333CS..EExtended strand (participates in β ladder)trans-128.1128.3-179.1-164.70000110.3R411 W415 V424 F426 D427 Q445R411-V413 HydrophobicContact CG-CG2 4Å; V413-W415 HydrophobicContact CG1-CD2 4.46Å; V413-W415 HydrophobicContact CG1-CZ2 3.96Å; V413-V424 HydrophobicContact CG1-CG1 3.96Å; V413-F426 CarbonylContact C-O 3.59Å; V413-F426 VanDerWaalsContact CA-O 3.32Å; V413-F426 WeakPolarHBondContact CA-O 3.38Å; V413-F426 WeakPolarHBondContact CG1-O 3.35Å; V413-D427 HydrophobicContact CG1-CB 4.38Å; V413-Q445 PolarHBondContact N-O 3.21Å; V413-Q445 PolarHBondContact O-N 3.07Å
414L88.9Confident78.7Confident0 Ų053.6 Ų53.60%033%0.334CS..EExtended strand (participates in β ladder)trans-108.7135.6171.7-72.1100000110.8L399 L412 L425 F426 V442 R443 V444L399-L414 HydrophobicContact CB-CD2 4.42Å; L399-L414 HydrophobicContact CD2-CD2 3.86Å; L412-L414 HydrophobicContact CD2-CD1 4.36Å; L412-L414 HydrophobicContact CG-CD1 4.34Å; L414-L425 HydrophobicContact CB-CB 4.35Å; L414-L425 PolarHBondContact O-N 2.82Å; L414-F426 HydrophobicContact CB-CB 4.27Å; L414-F426 HydrophobicContact CD1-CB 3.9Å; L414-F426 HydrophobicContact CD1-CD1 3.81Å; L414-F426 HydrophobicContact CD1-CG 4.2Å; L414-F426 PolarHBondContact N-O 2.95Å; L414-F426 PolarHBondContact O-N 3.33Å; L414-V442 HydrophobicContact CD2-CG1 4.37Å; L414-R443 WeakPolarHBondContact CA-O 3.32Å; L414-V444 HydrophobicContact CD2-CG2 3.99Å; L414-V444 HydrophobicContact CG-CG2 4.28Å
415W88.1Confident78.8Confident62 Ų6253.7 Ų53.724%0.23534%0.335CS..EExtended strand (participates in β ladder)trans-122.7133.9-175.7-57.880.6000111.5V413 G417 V423 V424 V442 R443V413-W415 HydrophobicContact CG1-CD2 4.46Å; V413-W415 HydrophobicContact CG1-CZ2 3.96Å; W415-G417 PolarHBondContact O-N 3.19Å; W415-V423 CarbonylContact C-O 3.55Å; W415-V423 WeakPolarHBondContact CA-O 3.47Å; W415-V424 HydrophobicContact CD2-CG2 4.19Å; W415-V424 HydrophobicContact CE3-CG2 3.69Å; W415-V424 HydrophobicContact CH2-CG2 3.7Å; W415-V424 HydrophobicContact CZ2-CG2 4.19Å; W415-V424 HydrophobicContact CZ3-CG2 3.42Å; W415-V424 VanDerWaalsContact CZ3-CG2 3.42Å; W415-V442 VanDerWaalsContact O-CA 3.27Å; W415-V442 WeakPolarHBondContact O-CA 3.27Å; W415-R443 HydrophobicContact CB-CB 4.2Å; W415-R443 PolarHBondContact N-O 2.99Å; W415-R443 PolarHBondContact O-N 3.37Å; W415-R443 VanDerWaalsContact O-N 3.1Å
416S86.1Confident79.1Confident15 Ų1553 Ų5311%0.10533%0.325CS..EExtended strand (participates in β ladder)trans-74.762.2174.1-164.50000111.3S422 V423 E438S416-S422 VanDerWaalsContact O-CB 3.27Å; S416-S422 WeakPolarHBondContact O-CB 3.3Å; S416-V423 WeakPolarHBondContact CB-O 3.29Å; S416-V423 PolarHBondContact N-O 2.55Å; S416-E438 VanDerWaalsContact CB-OE2 3.24Å; S416-E438 WeakPolarHBondContact CB-OE2 3.46Å; S416-E438 VanDerWaalsContact OG-CB 3.32Å; S416-E438 WeakPolarHBondContact OG-CB 3.23Å; S416-E438 WeakPolarHBondContact OG-CG 3.35Å; S416-E438 PolarHBondContact OG-N 3.23Å; S416-E438 PolarHBondContact OG-OE2 2.83Å
417G84.8Confident79.4Confident12 Ų1254.1 Ų54.112%0.12433%0.331CS..SBendtrans141-175.8176.500000114.3W415 A441 R443W415-G417 PolarHBondContact O-N 3.19Å; G417-A441 VanDerWaalsContact CA-O 3.29Å; G417-A441 WeakPolarHBondContact CA-O 3.5Å; G417-A441 PolarHBondContact N-O 3.45Å; G417-R443 PolarHBondContact O-N 2.82Å
418L81Confident79.2Confident61 Ų6155.8 Ų55.832%0.31934%0.341SS..SBendtrans-105.6-9.3178.5-56.9-179.7000113.1A441 R443L418-A441 HydrophobicContact CD1-CB 4.38Å; L418-A441 HydrophobicContact CG-CB 4.04Å; L418-R443 HydrophobicContact CD2-CB 4.34Å; L418-R443 PolarHBondContact O-NH1 2.97Å; L418-R443 PolarHBondContact O-NH2 3.3Å
419D79.7Confident78.8Confident131 Ų13151 Ų5170%0.70132%0.318SS*.SBendtrans-84.2153179.1-65.5-57.2000112.6G421 S422D419-G421 PolarHBondContact O-N 3.13Å; D419-G421 VanDerWaalsContact O-N 3.09Å; D419-S422 WeakPolarHBondContact O-CB 3.32Å; D419-S422 PolarHBondContact O-N 2.92Å; D419-S422 PolarHBondContact O-OG 3.3Å
420A62.6Low77.6Confident106 Ų10653.4 Ų53.488%0.87633%0.326SS*.THydrogen-bonded Turntrans-721.2-177.100000115
421G65.8Low76.2Confident76 Ų7654.4 Ų54.478%0.78433%0.334SS*.THydrogen-bonded Turntrans-121.822.4173.700000113.2D419D419-G421 PolarHBondContact O-N 3.13Å; D419-G421 VanDerWaalsContact O-N 3.09Å
422S80.7Confident74.6Confident20 Ų2054.7 Ų54.714%0.1434%0.338CS..PPolyproline II helixtrans-68.5155.8173.742.30000111.8S416 D419S416-S422 VanDerWaalsContact O-CB 3.27Å; S416-S422 WeakPolarHBondContact O-CB 3.3Å; D419-S422 WeakPolarHBondContact O-CB 3.32Å; D419-S422 PolarHBondContact O-N 2.92Å; D419-S422 PolarHBondContact O-OG 3.3Å
423V80.6Confident73.2Confident74 Ų7461.1 Ų61.145%0.44837%0.368SS..EExtended strand (participates in β ladder)trans-70134.1177.7179.90000109.6W415 S416 L425 E438W415-V423 CarbonylContact C-O 3.55Å; W415-V423 WeakPolarHBondContact CA-O 3.47Å; S416-V423 WeakPolarHBondContact CB-O 3.29Å; S416-V423 PolarHBondContact N-O 2.55Å; V423-L425 PolarHBondContact O-N 3.42Å; V423-E438 WeakPolarHBondContact CB-OE2 3.41Å; V423-E438 WeakPolarHBondContact CG2-OE2 3.42Å
424V82.3Confident72.1Confident64 Ų6461.5 Ų61.539%0.38837%0.373SS..EExtended strand (participates in β ladder)trans-75.8118.9170.2177.20000108.3V413 W415 F426 D427V413-V424 HydrophobicContact CG1-CG1 3.96Å; W415-V424 HydrophobicContact CD2-CG2 4.19Å; W415-V424 HydrophobicContact CE3-CG2 3.69Å; W415-V424 HydrophobicContact CH2-CG2 3.7Å; W415-V424 HydrophobicContact CZ2-CG2 4.19Å; W415-V424 HydrophobicContact CZ3-CG2 3.42Å; W415-V424 VanDerWaalsContact CZ3-CG2 3.42Å; V424-F426 WeakPolarHBondContact CG1-O 3.39Å; V424-D427 HydrophobicContact CG1-CB 3.87Å
425L75.9Confident71.5Confident48 Ų4862.3 Ų62.325%0.25138%0.378SS..EExtended strand (participates in β ladder)trans-87.9-34.4178.8-62.6172.6000111.8L414 V423 V435L414-L425 HydrophobicContact CB-CB 4.35Å; L414-L425 PolarHBondContact O-N 2.82Å; V423-L425 PolarHBondContact O-N 3.42Å; L425-V435 HydrophobicContact CB-CG1 3.62Å; L425-V435 HydrophobicContact CD1-CG1 4.02Å; L425-V435 HydrophobicContact CG-CG1 4.37Å
426F79.6Confident71.1Confident23 Ų2362 Ų6210%0.10138%0.381CS..EExtended strand (participates in β ladder)trans-152.5145177.7176.5-91.6000110.1L404 L412 V413 L414 V424 G429 P431 V435L404-F426 HydrophobicContact CD2-CE1 4.01Å; L404-F426 HydrophobicContact CD2-CZ 3.61Å; L412-F426 HydrophobicContact CD2-CE1 4.36Å; V413-F426 CarbonylContact C-O 3.59Å; V413-F426 VanDerWaalsContact CA-O 3.32Å; V413-F426 WeakPolarHBondContact CA-O 3.38Å; V413-F426 WeakPolarHBondContact CG1-O 3.35Å; L414-F426 HydrophobicContact CB-CB 4.27Å; L414-F426 HydrophobicContact CD1-CB 3.9Å; L414-F426 HydrophobicContact CD1-CD1 3.81Å; L414-F426 HydrophobicContact CD1-CG 4.2Å; L414-F426 PolarHBondContact N-O 2.95Å; L414-F426 PolarHBondContact O-N 3.33Å; V424-F426 WeakPolarHBondContact CG1-O 3.39Å; F426-G429 WeakPolarHBondContact CZ-O 3.42Å; F426-P431 HydrophobicContact CD2-CB 4.14Å; F426-P431 HydrophobicContact CE2-CB 3.64Å; F426-P431 HydrophobicContact CE2-CG 3.77Å; F426-P431 HydrophobicContact CZ-CB 4.32Å; F426-P431 HydrophobicContact CZ-CG 3.94Å; F426-V435 HydrophobicContact CB-CG2 4.43Å
427D81.4Confident71Confident68 Ų6861.4 Ų61.436%0.36438%0.376SS..EExtended strand (participates in β ladder)trans-153.394.6179.7-179.420.3000110.6R411 L412 V413 V424 G429R411-D427 IonicContact CZ-OD1 2.89Å; R411-D427 VanDerWaalsContact CZ-OD1 3.29Å; R411-D427 IonicContact CZ-OD2 2.71Å; R411-D427 IonicContact NE-OD1 2.81Å; R411-D427 PolarHBondContact NE-OD1 3.04Å; R411-D427 IonicContact NE-OD2 2.66Å; R411-D427 VanDerWaalsContact NH2-CG 3.25Å; R411-D427 IonicContact NH2-OD1 3.85Å; R411-D427 PolarHBondContact NH2-OD1 3Å; R411-D427 IonicContact NH2-OD2 3.72Å; R411-D427 PolarHBondContact NH2-OD2 2.71Å; L412-D427 WeakPolarHBondContact O-CA 3.31Å; V413-D427 HydrophobicContact CG1-CB 4.38Å; V424-D427 HydrophobicContact CG1-CB 3.87Å; D427-G429 PolarHBondContact O-N 2.86Å
428S65.8Low70.8Confident48 Ų4865.7 Ų65.734%0.33639%0.393SS..SBendtrans40.241.3172.8-80.80000117.3L406 R411 L412L406-S428 WeakPolarHBondContact CD1-OG 3.15Å; R411-S428 VanDerWaalsContact CA-OG 3.29Å; R411-S428 WeakPolarHBondContact CA-OG 3.42Å; L412-S428 PolarHBondContact N-OG 3.3Å; L412-S428 VanDerWaalsContact N-OG 3.08Å; L412-S428 PolarHBondContact O-N 2.66Å
429G60Low70.9Confident43 Ų4363.9 Ų63.944%0.44339%0.389SS..SBendtrans-93.7-164.5166.300000112.2F426 D427 P431F426-G429 WeakPolarHBondContact CZ-O 3.42Å; D427-G429 PolarHBondContact O-N 2.86Å; G429-P431 WeakPolarHBondContact O-CD 3.49Å
430I49.1Very low71.2Confident134 Ų13460.5 Ų60.569%0.68737%0.374SS*.  trans-95.6113.1161.9-45.3171.9000107.1F432I430-F432 HydrophobicContact CB-CD2 4.36Å; I430-F432 HydrophobicContact CB-CE2 3.82Å; I430-F432 HydrophobicContact CB-CZ 4.39Å; I430-F432 HydrophobicContact CD1-CE2 4.42Å; I430-F432 HydrophobicContact CG2-CD2 3.96Å; I430-F432 HydrophobicContact CG2-CE1 4.2Å; I430-F432 HydrophobicContact CG2-CE2 3.37Å; I430-F432 HydrophobicContact CG2-CZ 3.52Å
431P49.6Very low72.5Confident34 Ų3456.2 Ų56.222%0.22134%0.339CS..  trans-84.3119.8171.930.7-26000109.2L401 L404 F426 G429L401-P431 HydrophobicContact CB-CG 4.46Å; L401-P431 HydrophobicContact CD2-CB 3.9Å; L401-P431 HydrophobicContact CD2-CG 3.57Å; L404-P431 HydrophobicContact CB-CG 4.44Å; L404-P431 HydrophobicContact CD2-CG 3.61Å; F426-P431 HydrophobicContact CD2-CB 4.14Å; F426-P431 HydrophobicContact CE2-CB 3.64Å; F426-P431 HydrophobicContact CE2-CG 3.77Å; F426-P431 HydrophobicContact CZ-CB 4.32Å; F426-P431 HydrophobicContact CZ-CG 3.94Å; G429-P431 WeakPolarHBondContact O-CD 3.49Å
432F50.4Low73.6Confident123 Ų12352.6 Ų52.654%0.53930%0.302SS..  trans-105.98.1165.5-65-80.5000111.4I430I430-F432 HydrophobicContact CB-CD2 4.36Å; I430-F432 HydrophobicContact CB-CE2 3.82Å; I430-F432 HydrophobicContact CB-CZ 4.39Å; I430-F432 HydrophobicContact CD1-CE2 4.42Å; I430-F432 HydrophobicContact CG2-CD2 3.96Å; I430-F432 HydrophobicContact CG2-CE1 4.2Å; I430-F432 HydrophobicContact CG2-CE2 3.37Å; I430-F432 HydrophobicContact CG2-CZ 3.52Å
433E57.4Low74.1Confident136 Ų13654.7 Ų54.764%0.63631%0.306SS*.SBendtrans-135.6142.7-167.9-51.7-173.2169.900110.7T522E433-T522 HydrophobicContact CG-CG2 3.81Å
434G64.3Low74.5Confident14 Ų1451.1 Ų51.114%0.14429%0.285CS..PPolyproline II helixtrans-68.2133.4169.300000112.1H398H398-G434 WeakPolarHBondContact NE2-CA 3.47Å
435V77.1Confident74.8Confident17 Ų1750.4 Ų50.410%0.10328%0.277CS..EExtended strand (participates in β ladder)trans-92.4116.6-171.3177.30000110.7L399 L401 L425 F426L399-V435 HydrophobicContact CB-CB 4.39Å; L399-V435 PolarHBondContact N-O 2.85Å; L399-V435 PolarHBondContact O-N 2.64Å; L401-V435 HydrophobicContact CD1-CB 4.46Å; L401-V435 HydrophobicContact CD1-CG2 3.95Å; L425-V435 HydrophobicContact CB-CG1 3.62Å; L425-V435 HydrophobicContact CD1-CG1 4.02Å; L425-V435 HydrophobicContact CG-CG1 4.37Å; F426-V435 HydrophobicContact CB-CG2 4.43Å
436I78.5Confident75.3Confident56 Ų5648.6 Ų48.629%0.28727%0.267SS..EExtended strand (participates in β ladder)trans-95.2135.6177.5-59.3174.7000110.9F464 Y470I436-F464 HydrophobicContact CG2-CE1 4.13Å; I436-F464 HydrophobicContact CG2-CZ 3.77Å; I436-Y470 HydrophobicContact CD1-CD1 3.85Å; I436-Y470 HydrophobicContact CD1-CE1 3.89Å; I436-Y470 HydrophobicContact CG1-CD1 4.23Å; I436-Y470 HydrophobicContact CG1-CE1 4.3Å
437S85.3Confident75.5Confident1 Ų150.4 Ų50.41%0.00728%0.277CS..PPolyproline II helixtrans-83.3140.6172.174.10000112.8R396 L397 G439R396-S437 WeakPolarHBondContact CD-O 3.04Å; R396-S437 VanDerWaalsContact CG-O 3.26Å; R396-S437 WeakPolarHBondContact CG-O 3.06Å; R396-S437 PolarHBondContact NE-O 3.24Å; L397-S437 PolarHBondContact N-OG 3.39Å; L397-S437 PolarHBondContact O-N 2.88Å; L397-S437 PolarHBondContact O-OG 3.23Å; S437-G439 VanDerWaalsContact C-N 3.34Å; S437-G439 WeakPolarHBondContact CB-O 3.01Å; S437-G439 PolarHBondContact O-N 3.31Å; S437-G439 PolarHBondContact OG-O 2.04Å
438E80.5Confident75.4Confident103 Ų10348.3 Ų48.348%0.48127%0.267SS..SBendtrans-70.2-35.2179.3-56.8165.5119.400111.6R396 S416 V423R396-E438 PolarHBondContact NE-O 3.37Å; S416-E438 VanDerWaalsContact CB-OE2 3.24Å; S416-E438 WeakPolarHBondContact CB-OE2 3.46Å; S416-E438 VanDerWaalsContact OG-CB 3.32Å; S416-E438 WeakPolarHBondContact OG-CB 3.23Å; S416-E438 WeakPolarHBondContact OG-CG 3.35Å; S416-E438 PolarHBondContact OG-N 3.23Å; S416-E438 PolarHBondContact OG-OE2 2.83Å; V423-E438 WeakPolarHBondContact CB-OE2 3.41Å; V423-E438 WeakPolarHBondContact CG2-OE2 3.42Å
439G82.1Confident75.6Confident22 Ų2248.8 Ų48.823%0.22727%0.266CS..SBendtrans-124.8-172.5178.400000113.5S437 A441S437-G439 VanDerWaalsContact C-N 3.34Å; S437-G439 WeakPolarHBondContact CB-O 3.01Å; S437-G439 PolarHBondContact O-N 3.31Å; S437-G439 PolarHBondContact OG-O 2.04Å; G439-A441 VanDerWaalsContact C-N 3.28Å; G439-A441 PolarHBondContact O-N 2.79Å
440P86.8Confident75.7Confident61 Ų6151.7 Ų51.740%0.39627%0.268SS..SBendtrans-81.27-168.534.3-38.6000115A391 Q395A391-P440 HydrophobicContact CB-CB 4.43Å; A391-P440 WeakPolarHBondContact CB-O 3.45Å; A391-P440 PolarHBondContact N-O 2.82Å; Q395-P440 WeakPolarHBondContact O-CA 3.41Å; Q395-P440 WeakPolarHBondContact O-CB 3.35Å
441A88.8Confident75.9Confident16 Ų1648.9 Ų48.913%0.13226%0.258CS..EExtended strand (participates in β ladder)trans-139.2145.3-176.600000112.1L389 G417 L418 G439L389-A441 CarbonylContact O-C 3.56Å; L389-A441 WeakPolarHBondContact O-CA 3.32Å; G417-A441 VanDerWaalsContact CA-O 3.29Å; G417-A441 WeakPolarHBondContact CA-O 3.5Å; G417-A441 PolarHBondContact N-O 3.45Å; L418-A441 HydrophobicContact CD1-CB 4.38Å; L418-A441 HydrophobicContact CG-CB 4.04Å; G439-A441 VanDerWaalsContact C-N 3.28Å; G439-A441 PolarHBondContact O-N 2.79Å
442V90Very high76.1Confident0 Ų051.3 Ų51.30%027%0.269CS..EExtended strand (participates in β ladder)trans-136.8141.1-179.8170.60000110.3L389 L397 L399 L414 W415 V444L389-V442 PolarHBondContact N-O 2.96Å; L389-V442 PolarHBondContact O-N 3.44Å; L397-V442 HydrophobicContact CB-CG2 4.35Å; L397-V442 HydrophobicContact CD1-CB 4.09Å; L397-V442 HydrophobicContact CD1-CG2 4.06Å; L399-V442 HydrophobicContact CD1-CG1 4.31Å; L399-V442 HydrophobicContact CD1-CG2 3.98Å; L399-V442 HydrophobicContact CD2-CG1 4.1Å; L414-V442 HydrophobicContact CD2-CG1 4.37Å; W415-V442 VanDerWaalsContact O-CA 3.27Å; W415-V442 WeakPolarHBondContact O-CA 3.27Å; V442-V444 HydrophobicContact CG1-CG2 4.31Å
443R90.1Very high76.2Confident63 Ų6353 Ų5324%0.23828%0.278CS..EExtended strand (participates in β ladder)trans-108.3129.2163.9172.7-178.2-69.4119.73.5109.6W387 L414 W415 G417 L418W387-R443 WeakPolarHBondContact O-CA 3.35Å; L414-R443 WeakPolarHBondContact CA-O 3.32Å; W415-R443 HydrophobicContact CB-CB 4.2Å; W415-R443 PolarHBondContact N-O 2.99Å; W415-R443 PolarHBondContact O-N 3.37Å; W415-R443 VanDerWaalsContact O-N 3.1Å; G417-R443 PolarHBondContact O-N 2.82Å; L418-R443 HydrophobicContact CD2-CB 4.34Å; L418-R443 PolarHBondContact O-NH1 2.97Å; L418-R443 PolarHBondContact O-NH2 3.3Å
444V89.3Confident75.8Confident0 Ų054 Ų540%028%0.283CS..EExtended strand (participates in β ladder)trans-103.1127167.9-175.80000107.5V368 S386 W387 L399 L412 L414 V442 I459V368-V444 HydrophobicContact CG1-CG1 4.45Å; S386-V444 CarbonylContact C-O 3.54Å; S386-V444 WeakPolarHBondContact CA-O 3.35Å; W387-V444 HydrophobicContact CB-CB 4.44Å; W387-V444 HydrophobicContact CE3-CB 4.28Å; W387-V444 HydrophobicContact CE3-CG1 4.18Å; W387-V444 PolarHBondContact N-O 2.96Å; W387-V444 PolarHBondContact O-N 3.43Å; L399-V444 HydrophobicContact CD2-CG2 4.5Å; L412-V444 HydrophobicContact CD1-CG1 3.85Å; L414-V444 HydrophobicContact CD2-CG2 3.99Å; L414-V444 HydrophobicContact CG-CG2 4.28Å; V442-V444 HydrophobicContact CG1-CG2 4.31Å; V444-I459 HydrophobicContact CG1-CD1 3.67Å; V444-I459 HydrophobicContact CG2-CD1 4.35Å
445Q88.8Confident75.7Confident48 Ų4854.9 Ų54.922%0.22429%0.286CS..EExtended strand (participates in β ladder)trans-124.3126.6174.2-174.6175.73.900110.2S384 C385 L412 V413 I447S384-Q445 PolarHBondContact OG-NE2 2.92Å; C385-Q445 WeakPolarHBondContact O-CA 3.5Å; L412-Q445 WeakPolarHBondContact CA-O 3.07Å; V413-Q445 PolarHBondContact N-O 3.21Å; V413-Q445 PolarHBondContact O-N 3.07Å; Q445-I447 HydrophobicContact CG-CG1 4.2Å
446F86.6Confident75.5Confident10 Ų1054.3 Ų54.34%0.04428%0.284CS..EExtended strand (participates in β ladder)trans-116.8126175.3176.3-117.2000109.7P371 S384 C385 W387 L406 D410 R411 L412 T448 F457P371-F446 HydrophobicContact CG-CD1 4.48Å; S384-F446 CarbonylContact C-O 3.58Å; S384-F446 VanDerWaalsContact CA-O 3.27Å; S384-F446 WeakPolarHBondContact CA-O 3.43Å; C385-F446 PolarHBondContact N-O 2.91Å; C385-F446 PolarHBondContact O-N 3.4Å; W387-F446 HydrophobicContact CH2-CB 4.16Å; W387-F446 HydrophobicContact CZ3-CB 3.77Å; L406-F446 HydrophobicContact CD2-CD2 4.4Å; L406-F446 HydrophobicContact CD2-CE2 3.86Å; D410-F446 HydrophobicContact CB-CE2 4.09Å; D410-F446 HydrophobicContact CB-CZ 4.5Å; R411-F446 CarbonylContact O-C 3.49Å; R411-F446 WeakPolarHBondContact O-CA 3.44Å; L412-F446 HydrophobicContact CD1-CB 4.08Å; L412-F446 HydrophobicContact CD1-CD2 4.34Å; F446-T448 HydrophobicContact CD1-CG2 4.24Å; F446-T448 HydrophobicContact CE1-CG2 3.6Å; F446-T448 HydrophobicContact CZ-CG2 4.16Å; F446-F457 HydrophobicContact CB-CE1 3.67Å; F446-F457 HydrophobicContact CB-CZ 4.12Å; F446-F457 AromaticContact CD1-CE1 3.85Å; F446-F457 HydrophobicContact CD1-CE1 3.85Å; F446-F457 AromaticContact CD2-CD1 3.88Å; F446-F457 HydrophobicContact CD2-CD1 3.88Å; F446-F457 AromaticContact CD2-CE1 3.68Å; F446-F457 HydrophobicContact CD2-CE1 3.68Å; F446-F457 HydrophobicContact CE1-CE1 4.37Å; F446-F457 HydrophobicContact CE2-CD1 4.13Å; F446-F457 HydrophobicContact CE2-CE1 4.23Å; F446-F457 HydrophobicContact CG-CD1 4.14Å; F446-F457 AromaticContact CG-CE1 3.46Å; F446-F457 HydrophobicContact CG-CE1 3.46Å; F446-F457 VanDerWaalsContact CG-CE1 3.46Å; F446-F457 HydrophobicContact CG-CZ 4.37Å
447I84.1Confident75.5Confident62 Ų6251.9 Ų51.932%0.31827%0.271SS..EExtended strand (participates in β ladder)trans-118.4129.3180-54.9176.3000107.4R383 D410 R411 Q445R383-I447 VanDerWaalsContact O-CA 3.29Å; R383-I447 WeakPolarHBondContact O-CA 3.35Å; R383-I447 WeakPolarHBondContact O-CG2 3.05Å; D410-I447 CarbonylContact C-O 3.49Å; D410-I447 WeakPolarHBondContact CA-O 3.45Å; R411-I447 HydrophobicContact CB-CB 4.3Å; R411-I447 PolarHBondContact N-O 2.95Å; R411-I447 PolarHBondContact O-N 3.42Å; Q445-I447 HydrophobicContact CG-CG1 4.2Å
448T78.1Confident75.4Confident23 Ų2353 Ų5314%0.14128%0.277CS..  trans-143.5146.7-177.4179.80000110.9R383 D410 F446 Q450R383-T448 WeakPolarHBondContact CA-O 3.02Å; R383-T448 WeakPolarHBondContact CB-O 3.11Å; R383-T448 WeakPolarHBondContact CG-O 3.41Å; R383-T448 PolarHBondContact O-N 2.73Å; D410-T448 VanDerWaalsContact OD1-CA 3.32Å; D410-T448 WeakPolarHBondContact OD1-CA 3.48Å; D410-T448 WeakPolarHBondContact OD1-CB 3.28Å; D410-T448 PolarHBondContact OD1-OG1 3.33Å; F446-T448 HydrophobicContact CD1-CG2 4.24Å; F446-T448 HydrophobicContact CE1-CG2 3.6Å; F446-T448 HydrophobicContact CZ-CG2 4.16Å; T448-Q450 PolarHBondContact OG1-N 2.89Å; T448-Q450 PolarHBondContact OG1-O 2.81Å; T448-Q450 VanDerWaalsContact OG1-O 3.14Å
449D71.4Confident75.6Confident58 Ų5848.1 Ų48.131%0.3125%0.254SS..SBendtrans-100.4-19.317473.8-35.2000113.8T409T409-D449 VanDerWaalsContact CB-OD1 3.25Å; T409-D449 WeakPolarHBondContact CB-OD1 3.27Å; T409-D449 PolarHBondContact OG1-OD1 2.89Å
450Q60.6Low75.8Confident105 Ų10550 Ų5049%0.49125%0.254SS..SBendtrans-142.4124.1180-66.9179.865.800112T448 N452T448-Q450 PolarHBondContact OG1-N 2.89Å; T448-Q450 PolarHBondContact OG1-O 2.81Å; T448-Q450 VanDerWaalsContact OG1-O 3.14Å; Q450-N452 PolarHBondContact O-N 2.79Å
451P55.2Low75.8Confident74 Ų7447.9 Ų47.948%0.48124%0.238SC..  trans-77.671.1173.533.9-35.2000111P373P373-P451 HydrophobicContact CB-CB 4.43Å; P373-P451 HydrophobicContact CG-CB 4.33Å
452N53.1Low75.6Confident86 Ų8648.2 Ų48.246%0.4624%0.237SC..  trans-68.4151.2171.1-89.3-10.7000110.9Q450Q450-N452 PolarHBondContact O-N 2.79Å
453H51.5Low75.4Confident157 Ų15749.3 Ų49.373%0.72725%0.247SC*.SBendtrans-82.9-14.8178.9-76.1-90.9000113.7
454E50.8Low74.8Confident158 Ų15847.4 Ų47.474%0.73824%0.24SC*.SBendtrans-96-28.1-177.2-61178.8151.600112.8
455T61Low74Confident33 Ų3352.9 Ų52.920%0.20227%0.265CS..  trans-88.5140.5176.2620000110.8A405 D410A405-T455 CarbonylContact O-C 3.59Å; A405-T455 WeakPolarHBondContact O-CA 3.45Å; A405-T455 VanDerWaalsContact O-CB 3.28Å; A405-T455 WeakPolarHBondContact O-CB 3.37Å; D410-T455 PolarHBondContact OD2-OG1 2.97Å
456G72.8Confident73Confident5 Ų557.6 Ų57.65%0.05228%0.281CS..EExtended strand (participates in β ladder)trans171.5173.5-174.400000113.3S370 A405S370-G456 WeakPolarHBondContact OG-CA 3.48Å; A405-G456 CarbonylContact C-O 3.56Å; A405-G456 PolarHBondContact N-O 3.29Å; A405-G456 PolarHBondContact O-N 3.17Å
457F79.3Confident72.3Confident4 Ų459.4 Ų59.42%0.01830%0.303CS..EExtended strand (participates in β ladder)trans-146.5153.8-179.870.2-92.3000111V368 S370 W387 R403 L404 L412 F446 I459V368-F457 HydrophobicContact CG1-CE2 4.16Å; S370-F457 PolarHBondContact N-O 2.79Å; S370-F457 PolarHBondContact OG-N 2.96Å; S370-F457 PolarHBondContact OG-O 2.89Å; W387-F457 HydrophobicContact CH2-CE1 4.35Å; W387-F457 AromaticContact CH2-CZ 3.7Å; W387-F457 HydrophobicContact CH2-CZ 3.7Å; W387-F457 HydrophobicContact CZ2-CZ 4.48Å; W387-F457 AromaticContact CZ3-CZ 3.79Å; W387-F457 HydrophobicContact CZ3-CZ 3.79Å; R403-F457 CarbonylContact O-C 3.57Å; R403-F457 WeakPolarHBondContact O-CA 3.46Å; L404-F457 HydrophobicContact CD1-CB 3.77Å; L412-F457 HydrophobicContact CD1-CD1 4.21Å; L412-F457 HydrophobicContact CD1-CD2 4.44Å; L412-F457 HydrophobicContact CD1-CE1 4.16Å; L412-F457 HydrophobicContact CD1-CE2 4.38Å; L412-F457 HydrophobicContact CD1-CG 4.37Å; L412-F457 HydrophobicContact CD1-CZ 4.25Å; L412-F457 HydrophobicContact CD2-CB 4.37Å; L412-F457 HydrophobicContact CD2-CG 4.28Å; F446-F457 HydrophobicContact CB-CE1 3.67Å; F446-F457 HydrophobicContact CB-CZ 4.12Å; F446-F457 AromaticContact CD1-CE1 3.85Å; F446-F457 HydrophobicContact CD1-CE1 3.85Å; F446-F457 AromaticContact CD2-CD1 3.88Å; F446-F457 HydrophobicContact CD2-CD1 3.88Å; F446-F457 AromaticContact CD2-CE1 3.68Å; F446-F457 HydrophobicContact CD2-CE1 3.68Å; F446-F457 HydrophobicContact CE1-CE1 4.37Å; F446-F457 HydrophobicContact CE2-CD1 4.13Å; F446-F457 HydrophobicContact CE2-CE1 4.23Å; F446-F457 HydrophobicContact CG-CD1 4.14Å; F446-F457 AromaticContact CG-CE1 3.46Å; F446-F457 HydrophobicContact CG-CE1 3.46Å; F446-F457 VanDerWaalsContact CG-CE1 3.46Å; F446-F457 HydrophobicContact CG-CZ 4.37Å; F457-I459 HydrophobicContact CD2-CD1 3.68Å; F457-I459 HydrophobicContact CD2-CG1 3.9Å; F457-I459 HydrophobicContact CE2-CD1 3.77Å; F457-I459 HydrophobicContact CE2-CG1 4.38Å
458N82.8Confident72Confident25 Ų2558.9 Ų58.913%0.13430%0.299CS..EExtended strand (participates in β ladder)trans-137.4112175.217416.9000107.7R367 L369 L401 E402 R403R367-N458 PolarHBondContact NH1-ND2 2.9Å; L369-N458 HydrophobicContact CD2-CB 3.95Å; L369-N458 WeakPolarHBondContact CD2-OD1 3.28Å; L401-N458 CarbonylContact C-O 3.43Å; E402-N458 HydrophobicContact CB-CB 4.35Å; E402-N458 WeakPolarHBondContact CB-ND2 3.15Å; E402-N458 PolarHBondContact N-O 3.46Å; E402-N458 PolarHBondContact OE2-ND2 3.14Å; R403-N458 HydrophobicContact CB-CB 3.98Å; R403-N458 PolarHBondContact N-O 2.93Å; R403-N458 PolarHBondContact O-N 3.01Å
459I84.8Confident72.2Confident1 Ų157.9 Ų57.91%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-111.7110.5177.5-58.8155.9000107.3R367 V368 L399 H400 L401 L412 V444 F457R367-I459 CarbonylContact C-O 3.45Å; R367-I459 VanDerWaalsContact CA-O 3.26Å; R367-I459 WeakPolarHBondContact CA-O 3.41Å; V368-I459 HydrophobicContact CB-CB 4.47Å; V368-I459 PolarHBondContact N-O 2.9Å; V368-I459 PolarHBondContact O-N 3.15Å; L399-I459 HydrophobicContact CB-CG2 3.85Å; L399-I459 HydrophobicContact CD2-CG2 3.86Å; L399-I459 HydrophobicContact CG-CG2 4.39Å; H400-I459 WeakPolarHBondContact O-CA 3.3Å; L401-I459 HydrophobicContact CG-CG1 4.2Å; L412-I459 HydrophobicContact CD1-CD1 4.47Å; L412-I459 HydrophobicContact CD2-CD1 4.27Å; V444-I459 HydrophobicContact CG1-CD1 3.67Å; V444-I459 HydrophobicContact CG2-CD1 4.35Å; F457-I459 HydrophobicContact CD2-CD1 3.68Å; F457-I459 HydrophobicContact CD2-CG1 3.9Å; F457-I459 HydrophobicContact CE2-CD1 3.77Å; F457-I459 HydrophobicContact CE2-CG1 4.38Å
460R85.6Confident72.5Confident60 Ų6056.1 Ų56.123%0.22628%0.282CS..EExtended strand (participates in β ladder)trans-79.1139.4164173.9176.8162.2178.9-8.9108.5G366 R367 L399 H400 E402 E462G366-R460 WeakPolarHBondContact O-CA 3.25Å; R367-R460 HydrophobicContact CG-CB 4.29Å; L399-R460 CarbonylContact C-O 3.55Å; L399-R460 VanDerWaalsContact CA-O 3.31Å; L399-R460 WeakPolarHBondContact CA-O 3.38Å; H400-R460 PolarHBondContact N-O 2.98Å; H400-R460 PolarHBondContact O-N 2.82Å; E402-R460 HydrophobicContact CG-CB 4.22Å; E402-R460 VanDerWaalsContact OE1-CB 3.3Å; E402-R460 WeakPolarHBondContact OE1-CB 3.44Å; E402-R460 VanDerWaalsContact OE1-CD 3.31Å; E402-R460 WeakPolarHBondContact OE1-CD 3.37Å; R460-E462 IonicContact NE-OE2 2.67Å; R460-E462 IonicContact NH2-OE2 2.55Å; R460-E462 PolarHBondContact NH2-OE2 2.89Å
461Y87.2Confident73.5Confident17 Ų1755.5 Ų55.57%0.06728%0.279CS..EExtended strand (participates in β ladder)trans-125148.4172.163.8-96.8000111A363 V365 G366 V368 L389 L397 H398A363-Y461 HydrophobicContact CB-CD2 4.39Å; A363-Y461 HydrophobicContact CB-CE2 3.81Å; V365-Y461 WeakPolarHBondContact CA-O 3.07Å; G366-Y461 VanDerWaalsContact C-CE1 3.42Å; G366-Y461 VanDerWaalsContact CA-CZ 3.48Å; G366-Y461 PolarHBondContact N-O 2.82Å; G366-Y461 PolarHBondContact O-N 2.93Å; V368-Y461 HydrophobicContact CG2-CD1 4.01Å; V368-Y461 HydrophobicContact CG2-CE1 3.91Å; L389-Y461 HydrophobicContact CD1-CD1 3.67Å; L389-Y461 HydrophobicContact CD1-CD2 4.47Å; L389-Y461 HydrophobicContact CD1-CE1 4.13Å; L389-Y461 HydrophobicContact CD1-CG 3.85Å; L389-Y461 HydrophobicContact CD2-CD1 4.2Å; L389-Y461 HydrophobicContact CD2-CE1 3.78Å; L397-Y461 HydrophobicContact CD2-CD2 4.38Å; H398-Y461 VanDerWaalsContact O-CA 3.3Å; H398-Y461 WeakPolarHBondContact O-CA 3.35Å
462E85.3Confident74.8Confident24 Ų2452.1 Ų52.111%0.11226%0.257CS..EExtended strand (participates in β ladder)trans-143.5148.4175.864-165.4-166.400110.4T364 V365 L397 H398 R460T364-E462 CarbonylContact O-C 3.49Å; T364-E462 VanDerWaalsContact O-CA 3.29Å; T364-E462 WeakPolarHBondContact O-CA 3.35Å; V365-E462 HydrophobicContact CG2-CB 4.38Å; L397-E462 CarbonylContact C-O 3.22Å; L397-E462 WeakPolarHBondContact CA-O 3.11Å; H398-E462 HydrophobicContact CB-CG 3.89Å; H398-E462 IonicContact CE1-OE1 3.98Å; H398-E462 IonicContact CG-OE1 3.87Å; H398-E462 PolarHBondContact N-O 3.45Å; H398-E462 IonicContact ND1-OE1 3.61Å; H398-E462 PolarHBondContact ND1-OE1 2.81Å; H398-E462 PolarHBondContact O-N 2.78Å; R460-E462 IonicContact NE-OE2 2.67Å; R460-E462 IonicContact NH2-OE2 2.55Å; R460-E462 PolarHBondContact NH2-OE2 2.89Å
463A85.2Confident75.9Confident23 Ų2350.7 Ų50.719%0.1925%0.246CC..EExtended strand (participates in β ladder)trans-103.1125.1177.200000110.9A363 T364 A391 Q395 R396 L397A363-A463 WeakPolarHBondContact O-CB 3.48Å; T364-A463 PolarHBondContact O-N 3.43Å; A391-A463 HydrophobicContact CB-CB 4.24Å; Q395-A463 HydrophobicContact CB-CB 4.35Å; R396-A463 VanDerWaalsContact O-CA 3.28Å; R396-A463 WeakPolarHBondContact O-CA 3.31Å; L397-A463 HydrophobicContact CD2-CB 4.15Å
464F76.6Confident77.3Confident23 Ų2343.8 Ų43.810%0.10121%0.214CC..EExtended strand (participates in β ladder)trans-124.7159.3-176.972.8-83.6000111.7Q395 R396 H398 I436Q395-F464 WeakPolarHBondContact CA-O 3.33Å; Q395-F464 VanDerWaalsContact CB-O 3.25Å; Q395-F464 WeakPolarHBondContact CB-O 3.41Å; R396-F464 HydrophobicContact CB-CD1 4.2Å; R396-F464 HydrophobicContact CB-CE1 3.57Å; R396-F464 HydrophobicContact CB-CE2 4.33Å; R396-F464 HydrophobicContact CB-CZ 3.65Å; R396-F464 PolarHBondContact N-O 3.12Å; R396-F464 WeakPolarHBondContact O-CD1 3.48Å; R396-F464 PolarHBondContact O-N 3.21Å; H398-F464 HydrophobicContact CB-CD1 3.87Å; H398-F464 HydrophobicContact CB-CE1 3.85Å; I436-F464 HydrophobicContact CG2-CE1 4.13Å; I436-F464 HydrophobicContact CG2-CZ 3.77Å
465E73.5Confident78.5Confident114 Ų11439.5 Ų39.553%0.53319%0.194SC..  trans-95158-174.4-41.7-164.1135.400112.3Q395 G467 H468Q395-E465 HydrophobicContact CG-CG 4.25Å; Q395-E465 PolarHBondContact NE2-OE1 2.78Å; E465-G467 PolarHBondContact O-N 3.25Å; E465-H468 PolarHBondContact N-NE2 3.32Å; E465-H468 VanDerWaalsContact N-NE2 3.18Å; E465-H468 PolarHBondContact O-NE2 2.93Å
466R67.9Low79.5Confident148 Ų14839.7 Ų39.756%0.55819%0.194SC*.THydrogen-bonded Turntrans-73.6110.6175.8-67-175.4-179.1119.3-5.2111.1D394D394-R466 IonicContact OD1-CZ 3.88Å; D394-R466 IonicContact OD1-NH1 2.77Å; D394-R466 PolarHBondContact OD1-NH1 2.94Å
467G71.3Confident80Confident48 Ų4840.2 Ų40.250%0.49520%0.199SC..THydrogen-bonded Turntrans146.4-12.1169.600000115.5E465E465-G467 PolarHBondContact O-N 3.25Å
468H78.6Confident80.4Confident51 Ų5145 Ų4524%0.23623%0.225CC..SBendtrans-123164.1173.446.3-109.4000110.7E465 L485 Y486E465-H468 PolarHBondContact N-NE2 3.32Å; E465-H468 VanDerWaalsContact N-NE2 3.18Å; E465-H468 PolarHBondContact O-NE2 2.93Å; H468-L485 VanDerWaalsContact CB-O 3.23Å; H468-L485 WeakPolarHBondContact CB-O 3.35Å; H468-Y486 WeakPolarHBondContact CA-O 3.07Å; H468-Y486 WeakPolarHBondContact CB-O 3.07Å
469C81.5Confident80.7Confident2 Ų246 Ų461%0.01423%0.229CC..PPolyproline II helixtrans-75.7160.5163.5-64.40000110.3Y486 C511 Y518 W519C469-Y486 PolarHBondContact N-O 3.16Å; C469-Y486 WeakPolarHBondContact O-CB 3.43Å; C469-C511 HydrophobicContact CB-CB 3.82Å; C469-C511 WeakPolarHBondContact CB-SG 3.42Å; C469-C511 WeakPolarHBondContact SG-CA 3.5Å; C469-C511 WeakPolarHBondContact SG-CB 3.46Å; C469-C511 CovalentContact SG-SG 2.03Å; C469-C511 PolarHBondContact SG-SG 2.73Å; C469-Y518 VanDerWaalsContact SG-CA 3.6Å; C469-Y518 PolarHBondContact SG-N 2.92Å; C469-Y518 VanDerWaalsContact SG-N 3.41Å; C469-W519 HydrophobicContact CB-CD2 4.04Å; C469-W519 VanDerWaalsContact CB-CE2 3.48Å; C469-W519 HydrophobicContact CB-CG 4.37Å; C469-W519 HydrophobicContact CB-CH2 4.46Å; C469-W519 HydrophobicContact CB-CZ2 3.71Å
470Y78.5Confident80.9Confident21 Ų2149.9 Ų49.98%0.08225%0.252CS..PPolyproline II helixtrans-68159.9175.561.5-104.9000111.7H398 I436 P472 W519 E523H398-Y470 AromaticContact CE1-CD2 3.24Å; H398-Y470 WeakPolarHBondContact CE1-CD2 3.34Å; H398-Y470 AromaticContact CE1-CE2 3.39Å; H398-Y470 WeakPolarHBondContact CE1-CE2 3.37Å; H398-Y470 AromaticContact CE1-CG 3.62Å; H398-Y470 AromaticContact CE1-CZ 3.85Å; H398-Y470 AromaticContact CG-CG 3.89Å; H398-Y470 AromaticContact ND1-CD2 3.5Å; H398-Y470 AromaticContact ND1-CG 3.51Å; H398-Y470 AromaticContact NE2-CD2 3.93Å; H398-Y470 AromaticContact NE2-CE1 3.91Å; H398-Y470 AromaticContact NE2-CE2 3.79Å; H398-Y470 AromaticContact NE2-CZ 3.76Å; I436-Y470 HydrophobicContact CD1-CD1 3.85Å; I436-Y470 HydrophobicContact CD1-CE1 3.89Å; I436-Y470 HydrophobicContact CG1-CD1 4.23Å; I436-Y470 HydrophobicContact CG1-CE1 4.3Å; Y470-P472 WeakPolarHBondContact O-CD 3.33Å; Y470-W519 AromaticContact CD2-NE1 3.73Å; Y470-W519 AromaticContact CE1-CD1 3.73Å; Y470-W519 AromaticContact CE2-CD1 3.61Å; Y470-W519 AromaticContact CE2-NE1 3.71Å; Y470-W519 AromaticContact CZ-CD1 3.46Å; Y470-W519 VanDerWaalsContact CZ-CD1 3.46Å; Y470-W519 WeakPolarHBondContact O-CZ2 3.42Å; Y470-W519 PolarHBondContact O-NE1 3.48Å; Y470-E523 PolarHBondContact OH-OE2 3.13Å
471E81.1Confident81.2Confident92 Ų9249.2 Ų49.243%0.4326%0.255SS..PPolyproline II helixtrans-72.4117.9174.9177.5156.8-108.700109.8F479 Y486E471-F479 HydrophobicContact CG-CZ 3.99Å; E471-Y486 HydrophobicContact CB-CD2 4.25Å; E471-Y486 HydrophobicContact CB-CE2 3.7Å; E471-Y486 HydrophobicContact CG-CE2 3.8Å; E471-Y486 WeakPolarHBondContact OE1-CE2 3.36Å; E471-Y486 PolarHBondContact OE1-OH 2.95Å
472P81.8Confident81.3Confident3 Ų352.3 Ų52.32%0.01928%0.279CS..PPolyproline II helixtrans-63146-176.9-24.536.8000112.2Y470 F479 V492 F494 I509 W519 E523Y470-P472 WeakPolarHBondContact O-CD 3.33Å; P472-F479 WeakPolarHBondContact O-CE1 3.2Å; P472-F479 WeakPolarHBondContact O-CZ 3.44Å; P472-V492 HydrophobicContact CG-CB 4.45Å; P472-V492 HydrophobicContact CG-CG1 4.22Å; P472-V492 HydrophobicContact CG-CG2 4.19Å; P472-F494 HydrophobicContact CB-CE1 3.98Å; P472-F494 HydrophobicContact CB-CZ 3.86Å; P472-I509 HydrophobicContact CB-CD1 4.36Å; P472-I509 HydrophobicContact CG-CD1 4.06Å; P472-W519 HydrophobicContact CG-CH2 4.27Å; P472-W519 HydrophobicContact CG-CZ2 3.59Å; P472-E523 HydrophobicContact CB-CG 3.87Å
473Y77.3Confident81.5Confident56 Ų5654.1 Ų54.122%0.2229%0.289CS..  trans-117.4125.8175.4179.7-96.7000111.5H400 E402 Q475 E523H400-Y473 AromaticContact CD2-CD1 3.65Å; H400-Y473 AromaticContact CE1-CD1 3.68Å; H400-Y473 AromaticContact NE2-CD1 3.37Å; H400-Y473 WeakPolarHBondContact NE2-CD1 3.42Å; H400-Y473 AromaticContact NE2-CE1 3.98Å; E402-Y473 HydrophobicContact CG-CE1 4.19Å; Y473-Q475 HydrophobicContact CE1-CB 4.03Å; Y473-E523 PolarHBondContact N-OE1 3.43Å
474L80Confident81.4Confident11 Ų1158 Ų586%0.05831%0.312CS..  trans-114.6121.1172.7-176.361.1000109.4F494 T495 P524 C526L474-F494 HydrophobicContact CB-CD1 4.15Å; L474-F494 HydrophobicContact CB-CE1 4.43Å; L474-F494 HydrophobicContact CD2-CB 4.12Å; L474-F494 HydrophobicContact CD2-CD1 3.92Å; L474-F494 HydrophobicContact CD2-CG 4.47Å; L474-F494 HydrophobicContact CG-CD1 4.47Å; L474-T495 WeakPolarHBondContact CD2-O 3.42Å; L474-P524 WeakPolarHBondContact CD1-O 3.47Å; L474-C526 HydrophobicContact CD1-CB 4.36Å
475Q75.6Confident81.7Confident68 Ų6863 Ų6332%0.31834%0.34SS..THydrogen-bonded Turntrans-79.8140.2168.1-157.3-164.9-6700109.5Y473 G477 C526Y473-Q475 HydrophobicContact CE1-CB 4.03Å; Q475-G477 VanDerWaalsContact C-N 3.3Å; Q475-G477 PolarHBondContact O-N 2.73Å; Q475-C526 WeakPolarHBondContact O-CB 3.47Å
476N81.9Confident82.3Confident37 Ų3758.8 Ų58.820%0.19832%0.319CS..THydrogen-bonded Turntrans54.843.3179.1-6797.8000113.6D497 H500 C526N476-D497 VanDerWaalsContact C-CG 3.49Å; N476-D497 VanDerWaalsContact CA-OD2 3.28Å; N476-D497 WeakPolarHBondContact CA-OD2 3.13Å; N476-D497 PolarHBondContact O-N 2.91Å; N476-H500 HydrophobicContact CB-CB 4.43Å; N476-H500 VanDerWaalsContact CB-CD2 3.48Å; N476-H500 WeakPolarHBondContact CB-CD2 3.24Å; N476-H500 PolarHBondContact ND2-CE1 2.79Å; N476-H500 PolarHBondContact ND2-NE2 3.41Å; N476-C526 HydrophobicContact CB-CB 4.44Å; N476-C526 WeakPolarHBondContact O-CB 3.49Å
477G84.3Confident83.2Confident17 Ų1752.7 Ų52.718%0.17530%0.302CS..EExtended strand (participates in β ladder)trans-175.5-174.4174.200000112.6Q475 T495 D497Q475-G477 VanDerWaalsContact C-N 3.3Å; Q475-G477 PolarHBondContact O-N 2.73Å; G477-T495 CarbonylContact C-O 3.55Å; G477-T495 VanDerWaalsContact CA-O 3.24Å; G477-T495 WeakPolarHBondContact CA-O 3.44Å; G477-D497 PolarHBondContact N-OD2 2.8Å; G477-D497 VanDerWaalsContact N-OD2 3.17Å
478N87.1Confident83.9Confident105 Ų10553.7 Ų53.756%0.56130%0.299SS*.EExtended strand (participates in β ladder)trans-135.1162.6179.1-166.89.2000110.2T495N478-T495 PolarHBondContact N-O 2.77Å; N478-T495 PolarHBondContact O-N 2.95Å; N478-T495 PolarHBondContact O-OG1 3.47Å
479F89.5Confident84.2Confident46 Ų4653.3 Ų53.320%0.20231%0.308CS..EExtended strand (participates in β ladder)trans-133164.8178.566.8-93.7000112.4E471 P472 Y486 V492 Q493 F494E471-F479 HydrophobicContact CG-CZ 3.99Å; P472-F479 WeakPolarHBondContact O-CE1 3.2Å; P472-F479 WeakPolarHBondContact O-CZ 3.44Å; F479-Y486 HydrophobicContact CE2-CE1 4.48Å; F479-Y486 WeakPolarHBondContact CE2-OH 3.47Å; F479-V492 HydrophobicContact CB-CG1 3.86Å; F479-V492 HydrophobicContact CD2-CG1 3.64Å; F479-V492 HydrophobicContact CG-CG1 4.01Å; F479-Q493 CarbonylContact C-O 3.55Å; F479-Q493 VanDerWaalsContact CA-O 3.3Å; F479-Q493 WeakPolarHBondContact CA-O 3.24Å; F479-F494 HydrophobicContact CB-CD1 3.65Å; F479-F494 HydrophobicContact CB-CE1 3.95Å; F479-F494 HydrophobicContact CB-CG 4.48Å; F479-F494 HydrophobicContact CG-CE1 4.43Å
480T90.1Very high84.7Confident81 Ų8153.3 Ų53.350%0.49731%0.308SS..EExtended strand (participates in β ladder)trans-130.2131.4177.152.80000109.4V492 Q493T480-V492 CarbonylContact O-C 3.6Å; T480-V492 WeakPolarHBondContact O-CA 3.23Å; T480-Q493 PolarHBondContact N-O 3.49Å; T480-Q493 PolarHBondContact O-N 3.37Å; T480-Q493 PolarHBondContact OG1-O 2.92Å
481T90.8Very high85.3Confident47 Ų4755 Ų5529%0.28832%0.321SS..EExtended strand (participates in β ladder)trans-110.2146.9-178.4-178.20000111.7D483 Y486 T490T481-D483 VanDerWaalsContact C-N 3.35Å; T481-D483 PolarHBondContact OG1-N 2.89Å; T481-D483 PolarHBondContact OG1-O 3.25Å; T481-Y486 HydrophobicContact CG2-CE1 4.1Å; T481-T490 WeakPolarHBondContact OG1-CG2 3.36Å
482S90.4Very high85.8Confident81 Ų8150.6 Ų50.657%0.56630%0.3SS*.SBendtrans-74.7-23.2169.9680000113.6V491S482-V491 PolarHBondContact N-O 3.04Å; S482-V491 PolarHBondContact OG-N 3.42Å; S482-V491 PolarHBondContact OG-O 3.11Å
483D87.6Confident86.3Confident62 Ų6255.5 Ų55.533%0.33232%0.323SS..  trans-149.8120.5179.1-170.8-19000110.1T481 L485 Y486 T490T481-D483 VanDerWaalsContact C-N 3.35Å; T481-D483 PolarHBondContact OG1-N 2.89Å; T481-D483 PolarHBondContact OG1-O 3.25Å; D483-L485 PolarHBondContact O-N 3.34Å; D483-L485 WeakPolarHBondContact OD1-CB 3.46Å; D483-L485 PolarHBondContact OD1-N 3.31Å; D483-Y486 PolarHBondContact O-N 2.96Å; D483-T490 HydrophobicContact CB-CG2 4.16Å; D483-T490 WeakPolarHBondContact O-CG2 3.42Å
484P84.3Confident86.9Confident104 Ų10453 Ų5368%0.67531%0.313SS*.THydrogen-bonded Turntrans-71.3-2.3178.131.7-37.5000114.3
485L83.3Confident87.4Confident130 Ų13055.9 Ų55.968%0.68133%0.331SS*.THydrogen-bonded Turntrans-90.4-1.3171.5-70.9159.4000113.2H468 D483 G487H468-L485 VanDerWaalsContact CB-O 3.23Å; H468-L485 WeakPolarHBondContact CB-O 3.35Å; D483-L485 PolarHBondContact O-N 3.34Å; D483-L485 WeakPolarHBondContact OD1-CB 3.46Å; D483-L485 PolarHBondContact OD1-N 3.31Å; L485-G487 PolarHBondContact O-N 3.46Å
486Y85.6Confident88.1Confident24 Ų2454.2 Ų54.29%0.09433%0.327CS..  trans48.432.6177.7-54.7-63000114.6H468 C469 E471 F479 T481 D483 T490 V492 C511 W519H468-Y486 WeakPolarHBondContact CA-O 3.07Å; H468-Y486 WeakPolarHBondContact CB-O 3.07Å; C469-Y486 PolarHBondContact N-O 3.16Å; C469-Y486 WeakPolarHBondContact O-CB 3.43Å; E471-Y486 HydrophobicContact CB-CD2 4.25Å; E471-Y486 HydrophobicContact CB-CE2 3.7Å; E471-Y486 HydrophobicContact CG-CE2 3.8Å; E471-Y486 WeakPolarHBondContact OE1-CE2 3.36Å; E471-Y486 PolarHBondContact OE1-OH 2.95Å; F479-Y486 HydrophobicContact CE2-CE1 4.48Å; F479-Y486 WeakPolarHBondContact CE2-OH 3.47Å; T481-Y486 HydrophobicContact CG2-CE1 4.1Å; D483-Y486 PolarHBondContact O-N 2.96Å; Y486-T490 HydrophobicContact CD1-CG2 4.25Å; Y486-V492 HydrophobicContact CD1-CG2 4.49Å; Y486-V492 HydrophobicContact CE1-CG2 4.32Å; Y486-C511 PolarHBondContact O-SG 2.72Å; Y486-C511 VanDerWaalsContact O-SG 3.39Å; Y486-W519 HydrophobicContact CD1-CH2 4.1Å; Y486-W519 HydrophobicContact CD1-CZ2 4.02Å; Y486-W519 HydrophobicContact CG-CZ2 4.49Å
487G85.7Confident88.5Confident20 Ų2055.8 Ų55.821%0.20634%0.335CS..  trans-69.4167179.100000113.2L485 G489 T490L485-G487 PolarHBondContact O-N 3.46Å; G487-G489 PolarHBondContact O-N 3.23Å; G487-T490 PolarHBondContact N-OG1 3.43Å; G487-T490 VanDerWaalsContact N-OG1 3.07Å; G487-T490 WeakPolarHBondContact O-CB 3.24Å; G487-T490 PolarHBondContact O-N 3.39Å; G487-T490 PolarHBondContact O-OG1 3.15Å
488V86.3Confident88.7Confident70 Ų7059.6 Ų59.642%0.42436%0.357SS..THydrogen-bonded Turntrans-61.9125.1180-174.60000110.7C511 S513 P517V488-C511 CarbonylContact C-O 3.58Å; V488-C511 WeakPolarHBondContact CA-O 3.04Å; V488-S513 VanDerWaalsContact CG2-O 3.31Å; V488-S513 WeakPolarHBondContact CG2-O 3.44Å; V488-P517 HydrophobicContact CG2-CB 4Å; V488-P517 HydrophobicContact CG2-CG 3.88Å
489G86.2Confident88.5Confident42 Ų4255.9 Ų55.943%0.43334%0.343SS..THydrogen-bonded Turntrans94.82.4-169.600000114.6G487 C511G487-G489 PolarHBondContact O-N 3.23Å; G489-C511 PolarHBondContact N-O 2.96Å
490T90.6Very high88.5Confident3 Ų354.7 Ų54.72%0.01834%0.338CS..  trans-69.7136.3170-58.30000110.2T481 D483 Y486 G487 V492 E510 C511 W519T481-T490 WeakPolarHBondContact OG1-CG2 3.36Å; D483-T490 HydrophobicContact CB-CG2 4.16Å; D483-T490 WeakPolarHBondContact O-CG2 3.42Å; Y486-T490 HydrophobicContact CD1-CG2 4.25Å; G487-T490 PolarHBondContact N-OG1 3.43Å; G487-T490 VanDerWaalsContact N-OG1 3.07Å; G487-T490 WeakPolarHBondContact O-CB 3.24Å; G487-T490 PolarHBondContact O-N 3.39Å; G487-T490 PolarHBondContact O-OG1 3.15Å; T490-V492 HydrophobicContact CG2-CG2 4.41Å; T490-E510 CarbonylContact O-C 3.46Å; T490-E510 WeakPolarHBondContact O-CA 3.43Å; T490-C511 PolarHBondContact O-N 2.82Å; T490-W519 HydrophobicContact CG2-CH2 4.2Å
491V92.3Very high88.3Confident56 Ų5652.3 Ų52.334%0.33933%0.325SS..EExtended strand (participates in β ladder)trans-113.7134.6174.71790000109.2S482 V508 I509 E510S482-V491 PolarHBondContact N-O 3.04Å; S482-V491 PolarHBondContact OG-N 3.42Å; S482-V491 PolarHBondContact OG-O 3.11Å; V491-V508 HydrophobicContact CG1-CG1 3.36Å; V491-I509 CarbonylContact C-O 3.6Å; V491-I509 WeakPolarHBondContact CA-O 3.48Å; V491-E510 HydrophobicContact CG2-CB 4.35Å; V491-E510 HydrophobicContact CG2-CG 4.1Å
492V91.4Very high88Confident0 Ų053.4 Ų53.40%033%0.329CS..EExtended strand (participates in β ladder)trans-120.8129.1177.1174.80000109.6P472 F479 T480 Y486 T490 F494 V508 I509 W519P472-V492 HydrophobicContact CG-CB 4.45Å; P472-V492 HydrophobicContact CG-CG1 4.22Å; P472-V492 HydrophobicContact CG-CG2 4.19Å; F479-V492 HydrophobicContact CB-CG1 3.86Å; F479-V492 HydrophobicContact CD2-CG1 3.64Å; F479-V492 HydrophobicContact CG-CG1 4.01Å; T480-V492 CarbonylContact O-C 3.6Å; T480-V492 WeakPolarHBondContact O-CA 3.23Å; Y486-V492 HydrophobicContact CD1-CG2 4.49Å; Y486-V492 HydrophobicContact CE1-CG2 4.32Å; T490-V492 HydrophobicContact CG2-CG2 4.41Å; V492-F494 HydrophobicContact CG1-CE1 4.1Å; V492-F494 HydrophobicContact CG1-CE2 4.3Å; V492-F494 HydrophobicContact CG1-CZ 3.94Å; V492-V508 CarbonylContact O-C 3.52Å; V492-V508 VanDerWaalsContact O-CA 3.25Å; V492-V508 WeakPolarHBondContact O-CA 3.39Å; V492-I509 HydrophobicContact CB-CG1 4.04Å; V492-I509 PolarHBondContact N-O 2.84Å; V492-I509 PolarHBondContact O-N 2.82Å; V492-W519 HydrophobicContact CB-CH2 4.38Å; V492-W519 HydrophobicContact CB-CZ3 4.38Å; V492-W519 HydrophobicContact CG2-CH2 3.49Å; V492-W519 VanDerWaalsContact CG2-CH2 3.49Å; V492-W519 HydrophobicContact CG2-CZ2 4.26Å; V492-W519 HydrophobicContact CG2-CZ3 3.91Å
493Q92.1Very high87.2Confident105 Ų10553.6 Ų53.649%0.49132%0.321SS..EExtended strand (participates in β ladder)trans-113.3132.7177.7174.4175.5-11.400110.8F479 T480 P507 V508F479-Q493 CarbonylContact C-O 3.55Å; F479-Q493 VanDerWaalsContact CA-O 3.3Å; F479-Q493 WeakPolarHBondContact CA-O 3.24Å; T480-Q493 PolarHBondContact N-O 3.49Å; T480-Q493 PolarHBondContact O-N 3.37Å; T480-Q493 PolarHBondContact OG1-O 2.92Å; Q493-P507 WeakPolarHBondContact CA-O 3.47Å; Q493-V508 HydrophobicContact CB-CG2 4.06Å; Q493-V508 HydrophobicContact CG-CG2 4.01Å
494F90.8Very high86.5Confident5 Ų554.3 Ų54.32%0.02232%0.322CS..EExtended strand (participates in β ladder)trans-101.6150.5-174-63.3-77.6000113.4P472 L474 F479 V492 P507 I509 E523 P524P472-F494 HydrophobicContact CB-CE1 3.98Å; P472-F494 HydrophobicContact CB-CZ 3.86Å; L474-F494 HydrophobicContact CB-CD1 4.15Å; L474-F494 HydrophobicContact CB-CE1 4.43Å; L474-F494 HydrophobicContact CD2-CB 4.12Å; L474-F494 HydrophobicContact CD2-CD1 3.92Å; L474-F494 HydrophobicContact CD2-CG 4.47Å; L474-F494 HydrophobicContact CG-CD1 4.47Å; F479-F494 HydrophobicContact CB-CD1 3.65Å; F479-F494 HydrophobicContact CB-CE1 3.95Å; F479-F494 HydrophobicContact CB-CG 4.48Å; F479-F494 HydrophobicContact CG-CE1 4.43Å; V492-F494 HydrophobicContact CG1-CE1 4.1Å; V492-F494 HydrophobicContact CG1-CE2 4.3Å; V492-F494 HydrophobicContact CG1-CZ 3.94Å; F494-P507 PolarHBondContact N-O 2.03Å; F494-I509 HydrophobicContact CE2-CB 4.48Å; F494-I509 HydrophobicContact CE2-CD1 3.77Å; F494-I509 HydrophobicContact CE2-CG1 3.74Å; F494-I509 HydrophobicContact CE2-CG2 4.13Å; F494-I509 HydrophobicContact CZ-CD1 3.67Å; F494-I509 HydrophobicContact CZ-CG1 4.08Å; F494-E523 HydrophobicContact CE1-CB 4.4Å; F494-E523 HydrophobicContact CE1-CG 4.25Å; F494-E523 HydrophobicContact CZ-CB 4.05Å; F494-E523 HydrophobicContact CZ-CG 3.81Å; F494-P524 HydrophobicContact CB-CG 3.69Å; F494-P524 HydrophobicContact CD1-CG 4.27Å; F494-P524 HydrophobicContact CD2-CG 3.53Å; F494-P524 HydrophobicContact CE2-CG 4.18Å; F494-P524 HydrophobicContact CG-CG 3.57Å
495T89.5Confident86Confident70 Ų7051.5 Ų51.543%0.42931%0.312SS..EExtended strand (participates in β ladder)trans-145.8130.5177.545.70000110.2L474 G477 N478L474-T495 WeakPolarHBondContact CD2-O 3.42Å; G477-T495 CarbonylContact C-O 3.55Å; G477-T495 VanDerWaalsContact CA-O 3.24Å; G477-T495 WeakPolarHBondContact CA-O 3.44Å; N478-T495 PolarHBondContact N-O 2.77Å; N478-T495 PolarHBondContact O-N 2.95Å; N478-T495 PolarHBondContact O-OG1 3.47Å
496C90.1Very high86.1Confident34 Ų3446.6 Ų46.623%0.2329%0.287CS..EExtended strand (participates in β ladder)trans-80.3158.5177.2-57.70000112.9H500 L502 C526C496-H500 HydrophobicContact CB-CB 3.87Å; C496-H500 WeakPolarHBondContact CB-O 3.3Å; C496-L502 VanDerWaalsContact SG-CD2 3.51Å; C496-L502 PolarHBondContact SG-N 3.4Å; C496-L502 VanDerWaalsContact SG-N 3.42Å; C496-C526 WeakPolarHBondContact CA-SG 3.48Å; C496-C526 HydrophobicContact CB-CB 3.79Å; C496-C526 WeakPolarHBondContact CB-SG 3.42Å; C496-C526 WeakPolarHBondContact SG-CB 3.21Å; C496-C526 CovalentContact SG-SG 2.03Å; C496-C526 PolarHBondContact SG-SG 3.49Å
497D90.3Very high86.1Confident69 Ų6948.9 Ų48.937%0.36931%0.306SS..PPolyproline II helixtrans-67.9159.9171.6-70.9-31.5000112N476 G477 G499 H500N476-D497 VanDerWaalsContact C-CG 3.49Å; N476-D497 VanDerWaalsContact CA-OD2 3.28Å; N476-D497 WeakPolarHBondContact CA-OD2 3.13Å; N476-D497 PolarHBondContact O-N 2.91Å; G477-D497 PolarHBondContact N-OD2 2.8Å; G477-D497 VanDerWaalsContact N-OD2 3.17Å; D497-G499 PolarHBondContact O-N 2.8Å; D497-H500 WeakPolarHBondContact O-CB 3.48Å; D497-H500 PolarHBondContact O-N 2.92Å
498P87.8Confident86.3Confident98 Ų9850.8 Ų50.864%0.63631%0.313SS*.THydrogen-bonded Turntrans-59.6118.8178.9-24.635.3000113V540P498-V540 HydrophobicContact CB-CG2 4.08Å
499G84.3Confident86.5Confident27 Ų2747.6 Ų47.628%0.27829%0.293SS..THydrogen-bonded Turntrans98.4-10.9-174.500000113.9D497 V540D497-G499 PolarHBondContact O-N 2.8Å; G499-V540 VanDerWaalsContact CA-O 3.27Å; G499-V540 WeakPolarHBondContact CA-O 3.19Å
500H88.4Confident86.7Confident21 Ų2149.6 Ų49.610%0.09729%0.291CS..  trans-102158.3171.5-6682.2000111.4N476 C496 D497 C526 K527 A528 L542 W546N476-H500 HydrophobicContact CB-CB 4.43Å; N476-H500 VanDerWaalsContact CB-CD2 3.48Å; N476-H500 WeakPolarHBondContact CB-CD2 3.24Å; N476-H500 PolarHBondContact ND2-CE1 2.79Å; N476-H500 PolarHBondContact ND2-NE2 3.41Å; C496-H500 HydrophobicContact CB-CB 3.87Å; C496-H500 WeakPolarHBondContact CB-O 3.3Å; D497-H500 WeakPolarHBondContact O-CB 3.48Å; D497-H500 PolarHBondContact O-N 2.92Å; H500-C526 HydrophobicContact CB-CB 4.23Å; H500-K527 CarbonylContact C-O 3.5Å; H500-K527 WeakPolarHBondContact CA-O 3.43Å; H500-A528 PolarHBondContact CD2-N 2.95Å; H500-L542 WeakPolarHBondContact CE1-CD1 3.09Å; H500-W546 PolarHBondContact NE2-O 2.98Å
501S85.9Confident86.6Confident31 Ų3149.4 Ų49.422%0.21729%0.291CS..EExtended strand (participates in β ladder)trans-154.5147.7-171.4510000111.3E503 C526 K527 Q529S501-E503 PolarHBondContact O-N 2.91Å; S501-C526 WeakPolarHBondContact O-CA 3.45Å; S501-K527 PolarHBondContact N-O 3.09Å; S501-K527 PolarHBondContact O-N 2.94Å; S501-K527 PolarHBondContact OG-O 2.86Å; S501-Q529 WeakPolarHBondContact OG-CG 3.18Å; S501-Q529 PolarHBondContact OG-NE2 2.7Å
502L84.7Confident86.2Confident69 Ų6949.1 Ų49.136%0.36129%0.287SS..EExtended strand (participates in β ladder)trans-70.5116.8-177-60.9168.9000109.7C496 P507 P524C496-L502 VanDerWaalsContact SG-CD2 3.51Å; C496-L502 PolarHBondContact SG-N 3.4Å; C496-L502 VanDerWaalsContact SG-N 3.42Å; L502-P507 HydrophobicContact CD1-CB 3.98Å; L502-P524 HydrophobicContact CD2-CB 3.81Å; L502-P524 HydrophobicContact CD2-CG 3.81Å
503E73.5Confident85.5Confident86 Ų8651.2 Ų51.240%0.40230%0.301SS..EExtended strand (participates in β ladder)trans-97.5-42179-167.9-148.8144.800112.1S501 L525 K527S501-E503 PolarHBondContact O-N 2.91Å; E503-L525 PolarHBondContact N-O 2.98Å; E503-K527 IonicContact OE1-NZ 3.12Å; E503-K527 VanDerWaalsContact OE2-CD 3.28Å; E503-K527 WeakPolarHBondContact OE2-CD 3.33Å; E503-K527 VanDerWaalsContact OE2-CE 3.3Å; E503-K527 WeakPolarHBondContact OE2-CE 3.36Å; E503-K527 IonicContact OE2-NZ 2.73Å; E503-K527 PolarHBondContact OE2-NZ 2.88Å
504Q73.3Confident84.6Confident77 Ų7750.7 Ų50.736%0.3632%0.315SS..EExtended strand (participates in β ladder)trans-142156.1-171.6-53.4-173.918.600109.8P524 L525Q504-P524 CarbonylContact O-C 3.58Å; Q504-P524 WeakPolarHBondContact O-CA 3.39Å; Q504-P524 WeakPolarHBondContact O-CB 3.43Å; Q504-L525 PolarHBondContact O-N 2.86Å
505G74.4Confident83.7Confident44 Ų4462.1 Ų62.145%0.45436%0.358SS..SBendtrans79.5165.9-177.300000114.6
506P84.4Confident82.9Confident27 Ų2762.7 Ų62.718%0.17536%0.358CS..  trans-77.9150.5176.633.6-36.9000112.2V508 I509 D521 T522 P524P506-V508 PolarHBondContact O-N 2.86Å; P506-I509 HydrophobicContact CG-CG2 3.82Å; P506-D521 HydrophobicContact CG-CB 3.85Å; P506-T522 WeakPolarHBondContact CD-O 3.3Å; P506-P524 WeakPolarHBondContact O-CB 3.43Å; P506-P524 WeakPolarHBondContact O-CG 3.45Å
507P86.9Confident82.3Confident73 Ų7362.2 Ų62.247%0.47436%0.355SS..SBendtrans-72.3-6.5174.231.2-36.2000113.6Q493 F494 L502Q493-P507 WeakPolarHBondContact CA-O 3.47Å; F494-P507 PolarHBondContact N-O 2.03Å; L502-P507 HydrophobicContact CD1-CB 3.98Å
508V89.8Confident81.8Confident60 Ų6064.6 Ų64.636%0.36436%0.359SS..EExtended strand (participates in β ladder)trans-147.4133.3-176-177.30000110.1V491 V492 Q493 P506V491-V508 HydrophobicContact CG1-CG1 3.36Å; V492-V508 CarbonylContact O-C 3.52Å; V492-V508 VanDerWaalsContact O-CA 3.25Å; V492-V508 WeakPolarHBondContact O-CA 3.39Å; Q493-V508 HydrophobicContact CB-CG2 4.06Å; Q493-V508 HydrophobicContact CG-CG2 4.01Å; P506-V508 PolarHBondContact O-N 2.86Å
509I89.6Confident81.6Confident2 Ų260.5 Ų60.51%0.0133%0.331CS..EExtended strand (participates in β ladder)trans-124.8158.9174.263178.7000111.8P472 V491 V492 F494 P506 W519 N520 D521 T522 E523P472-I509 HydrophobicContact CB-CD1 4.36Å; P472-I509 HydrophobicContact CG-CD1 4.06Å; V491-I509 CarbonylContact C-O 3.6Å; V491-I509 WeakPolarHBondContact CA-O 3.48Å; V492-I509 HydrophobicContact CB-CG1 4.04Å; V492-I509 PolarHBondContact N-O 2.84Å; V492-I509 PolarHBondContact O-N 2.82Å; F494-I509 HydrophobicContact CE2-CB 4.48Å; F494-I509 HydrophobicContact CE2-CD1 3.77Å; F494-I509 HydrophobicContact CE2-CG1 3.74Å; F494-I509 HydrophobicContact CE2-CG2 4.13Å; F494-I509 HydrophobicContact CZ-CD1 3.67Å; F494-I509 HydrophobicContact CZ-CG1 4.08Å; P506-I509 HydrophobicContact CG-CG2 3.82Å; I509-W519 HydrophobicContact CB-CE3 4.16Å; I509-W519 HydrophobicContact CD1-CB 4.17Å; I509-W519 HydrophobicContact CD1-CD2 3.63Å; I509-W519 HydrophobicContact CD1-CE3 3.67Å; I509-W519 HydrophobicContact CD1-CG 3.84Å; I509-W519 HydrophobicContact CD1-CZ3 4.34Å; I509-W519 HydrophobicContact CG1-CD2 4.12Å; I509-W519 HydrophobicContact CG1-CE3 3.59Å; I509-W519 HydrophobicContact CG1-CZ3 4.04Å; I509-N520 WeakPolarHBondContact CA-OD1 3.43Å; I509-D521 HydrophobicContact CG2-CB 4.26Å; I509-T522 WeakPolarHBondContact CG2-O 3.36Å; I509-E523 HydrophobicContact CD1-CG 4.48Å
510E90Very high81.7Confident84 Ų8462.8 Ų62.839%0.39334%0.337SS..EExtended strand (participates in β ladder)trans-130.1133.9-179.6-174.7-177.1171.500111.3T490 V491 I512 N520T490-E510 CarbonylContact O-C 3.46Å; T490-E510 WeakPolarHBondContact O-CA 3.43Å; V491-E510 HydrophobicContact CG2-CB 4.35Å; V491-E510 HydrophobicContact CG2-CG 4.1Å; E510-I512 HydrophobicContact CG-CG2 4.2Å; E510-I512 PolarHBondContact O-N 2.85Å; E510-N520 PolarHBondContact N-OD1 2.92Å; E510-N520 WeakPolarHBondContact O-CB 3.04Å; E510-N520 PolarHBondContact O-N 2.89Å; E510-N520 PolarHBondContact O-OD1 2.82Å
511C88.6Confident81.4Confident0 Ų065.8 Ų65.80%035%0.354CS..EExtended strand (participates in β ladder)trans-77.9111.1176.81780000110.1C469 Y486 V488 G489 T490 W519C469-C511 HydrophobicContact CB-CB 3.82Å; C469-C511 WeakPolarHBondContact CB-SG 3.42Å; C469-C511 WeakPolarHBondContact SG-CA 3.5Å; C469-C511 WeakPolarHBondContact SG-CB 3.46Å; C469-C511 CovalentContact SG-SG 2.03Å; C469-C511 PolarHBondContact SG-SG 2.73Å; Y486-C511 PolarHBondContact O-SG 2.72Å; Y486-C511 VanDerWaalsContact O-SG 3.39Å; V488-C511 CarbonylContact C-O 3.58Å; V488-C511 WeakPolarHBondContact CA-O 3.04Å; G489-C511 PolarHBondContact N-O 2.96Å; T490-C511 PolarHBondContact O-N 2.82Å; C511-W519 HydrophobicContact CB-CD2 4.41Å; C511-W519 HydrophobicContact CB-CE3 3.9Å; C511-W519 HydrophobicContact CB-CH2 3.95Å; C511-W519 HydrophobicContact CB-CZ2 4.47Å; C511-W519 HydrophobicContact CB-CZ3 3.66Å; C511-W519 VanDerWaalsContact N-CE3 3.29Å; C511-W519 VanDerWaalsContact N-CZ3 3.31Å
512I84.4Confident81Confident50 Ų5065.9 Ų65.926%0.25635%0.353SS..EExtended strand (participates in β ladder)trans-112.9172.1-174.660166.5000112.4E510 P517 Y518 N520E510-I512 HydrophobicContact CG-CG2 4.2Å; E510-I512 PolarHBondContact O-N 2.85Å; I512-P517 WeakPolarHBondContact O-CA 3.35Å; I512-Y518 HydrophobicContact CD1-CD2 4.48Å; I512-Y518 HydrophobicContact CD1-CE1 4.43Å; I512-Y518 HydrophobicContact CD1-CE2 3.69Å; I512-Y518 HydrophobicContact CG1-CD2 4.28Å; I512-Y518 HydrophobicContact CG1-CE1 4.26Å; I512-Y518 HydrophobicContact CG1-CE2 3.92Å; I512-Y518 VanDerWaalsContact CG1-O 3.27Å; I512-Y518 WeakPolarHBondContact CG1-O 3.36Å; I512-Y518 PolarHBondContact N-O 2.96Å; I512-Y518 PolarHBondContact O-N 3.21Å; I512-N520 HydrophobicContact CD1-CB 3.74Å; I512-N520 HydrophobicContact CG1-CB 4.01Å; I512-N520 HydrophobicContact CG2-CB 4.06Å
513S76.7Confident80.8Confident43 Ų4363.6 Ų63.630%0.30134%0.341SS..  trans68.3115.3-177.81710000116.4V488 R515 D516 P517V488-S513 VanDerWaalsContact CG2-O 3.31Å; V488-S513 WeakPolarHBondContact CG2-O 3.44Å; S513-R515 VanDerWaalsContact C-N 3.33Å; S513-R515 PolarHBondContact O-N 3.35Å; S513-D516 WeakPolarHBondContact CB-O 3.39Å; S513-D516 PolarHBondContact OG-N 2.54Å; S513-D516 PolarHBondContact OG-O 3.16Å; S513-P517 WeakPolarHBondContact O-CA 3.25Å
514A73.1Confident81.4Confident95 Ų9559.8 Ų59.879%0.78532%0.323SS*.SBendtrans-87.413.8177.200000115
515R72.4Confident81.8Confident245 Ų24559.1 Ų59.193%0.92532%0.322SS*.SBendtrans-118.8-38.6178.8-78.2-178.5173.5-100.50113.2S513S513-R515 VanDerWaalsContact C-N 3.33Å; S513-R515 PolarHBondContact O-N 3.35Å
516D72.8Confident82.4Confident82 Ų8257.1 Ų57.144%0.43930%0.301SS..SBendtrans-147.999.6173.4-152.613.6000103.8R396 S513 Y518R396-D516 IonicContact CZ-OD1 2.88Å; R396-D516 IonicContact NH1-OD1 3.7Å; R396-D516 PolarHBondContact NH1-OD1 2.7Å; R396-D516 IonicContact NH1-OD2 2.78Å; R396-D516 IonicContact NH2-OD1 2.87Å; R396-D516 IonicContact NH2-OD2 2.73Å; R396-D516 PolarHBondContact NH2-OD2 3.13Å; S513-D516 WeakPolarHBondContact CB-O 3.39Å; S513-D516 PolarHBondContact OG-N 2.54Å; S513-D516 PolarHBondContact OG-O 3.16Å; D516-Y518 WeakPolarHBondContact O-CD1 3.42Å
517P77.9Confident82.4Confident23 Ų2359 Ų5915%0.14931%0.306CS..  trans-71.1139.9-172.6-2335.5000113.1V488 I512 S513V488-P517 HydrophobicContact CG2-CB 4Å; V488-P517 HydrophobicContact CG2-CG 3.88Å; I512-P517 WeakPolarHBondContact O-CA 3.35Å; S513-P517 WeakPolarHBondContact O-CA 3.25Å
518Y78.8Confident82.4Confident120 Ų12055.7 Ų55.747%0.47129%0.285SS..EExtended strand (participates in β ladder)trans-153.3155175.466.6-80.7000110.9C469 I512 D516C469-Y518 VanDerWaalsContact SG-CA 3.6Å; C469-Y518 PolarHBondContact SG-N 2.92Å; C469-Y518 VanDerWaalsContact SG-N 3.41Å; I512-Y518 HydrophobicContact CD1-CD2 4.48Å; I512-Y518 HydrophobicContact CD1-CE1 4.43Å; I512-Y518 HydrophobicContact CD1-CE2 3.69Å; I512-Y518 HydrophobicContact CG1-CD2 4.28Å; I512-Y518 HydrophobicContact CG1-CE1 4.26Å; I512-Y518 HydrophobicContact CG1-CE2 3.92Å; I512-Y518 VanDerWaalsContact CG1-O 3.27Å; I512-Y518 WeakPolarHBondContact CG1-O 3.36Å; I512-Y518 PolarHBondContact N-O 2.96Å; I512-Y518 PolarHBondContact O-N 3.21Å; D516-Y518 WeakPolarHBondContact O-CD1 3.42Å
519W84Confident82.2Confident12 Ų1257 Ų575%0.04529%0.287CS..EExtended strand (participates in β ladder)trans-69.8141.2175.1-64.1109000111C469 Y470 P472 Y486 T490 V492 I509 C511 D521C469-W519 HydrophobicContact CB-CD2 4.04Å; C469-W519 VanDerWaalsContact CB-CE2 3.48Å; C469-W519 HydrophobicContact CB-CG 4.37Å; C469-W519 HydrophobicContact CB-CH2 4.46Å; C469-W519 HydrophobicContact CB-CZ2 3.71Å; Y470-W519 AromaticContact CD2-NE1 3.73Å; Y470-W519 AromaticContact CE1-CD1 3.73Å; Y470-W519 AromaticContact CE2-CD1 3.61Å; Y470-W519 AromaticContact CE2-NE1 3.71Å; Y470-W519 AromaticContact CZ-CD1 3.46Å; Y470-W519 VanDerWaalsContact CZ-CD1 3.46Å; Y470-W519 WeakPolarHBondContact O-CZ2 3.42Å; Y470-W519 PolarHBondContact O-NE1 3.48Å; P472-W519 HydrophobicContact CG-CH2 4.27Å; P472-W519 HydrophobicContact CG-CZ2 3.59Å; Y486-W519 HydrophobicContact CD1-CH2 4.1Å; Y486-W519 HydrophobicContact CD1-CZ2 4.02Å; Y486-W519 HydrophobicContact CG-CZ2 4.49Å; T490-W519 HydrophobicContact CG2-CH2 4.2Å; V492-W519 HydrophobicContact CB-CH2 4.38Å; V492-W519 HydrophobicContact CB-CZ3 4.38Å; V492-W519 HydrophobicContact CG2-CH2 3.49Å; V492-W519 VanDerWaalsContact CG2-CH2 3.49Å; V492-W519 HydrophobicContact CG2-CZ2 4.26Å; V492-W519 HydrophobicContact CG2-CZ3 3.91Å; I509-W519 HydrophobicContact CB-CE3 4.16Å; I509-W519 HydrophobicContact CD1-CB 4.17Å; I509-W519 HydrophobicContact CD1-CD2 3.63Å; I509-W519 HydrophobicContact CD1-CE3 3.67Å; I509-W519 HydrophobicContact CD1-CG 3.84Å; I509-W519 HydrophobicContact CD1-CZ3 4.34Å; I509-W519 HydrophobicContact CG1-CD2 4.12Å; I509-W519 HydrophobicContact CG1-CE3 3.59Å; I509-W519 HydrophobicContact CG1-CZ3 4.04Å; C511-W519 HydrophobicContact CB-CD2 4.41Å; C511-W519 HydrophobicContact CB-CE3 3.9Å; C511-W519 HydrophobicContact CB-CH2 3.95Å; C511-W519 HydrophobicContact CB-CZ2 4.47Å; C511-W519 HydrophobicContact CB-CZ3 3.66Å; C511-W519 VanDerWaalsContact N-CE3 3.29Å; C511-W519 VanDerWaalsContact N-CZ3 3.31Å; W519-D521 PolarHBondContact O-N 3.07Å
520N86.3Confident82.2Confident74 Ų7459.6 Ų59.640%0.39631%0.305SS..SBendtrans-68.2-20.2-17566.9-22.6000115I509 E510 I512I509-N520 WeakPolarHBondContact CA-OD1 3.43Å; E510-N520 PolarHBondContact N-OD1 2.92Å; E510-N520 WeakPolarHBondContact O-CB 3.04Å; E510-N520 PolarHBondContact O-N 2.89Å; E510-N520 PolarHBondContact O-OD1 2.82Å; I512-N520 HydrophobicContact CD1-CB 3.74Å; I512-N520 HydrophobicContact CG1-CB 4.01Å; I512-N520 HydrophobicContact CG2-CB 4.06Å
521D82.1Confident82.1Confident84 Ų8456.1 Ų56.145%0.44929%0.292SS..SBendtrans-157.7170.6-175.9-152.8-25.4000107.7P506 I509 W519P506-D521 HydrophobicContact CG-CB 3.85Å; I509-D521 HydrophobicContact CG2-CB 4.26Å; W519-D521 PolarHBondContact O-N 3.07Å
522T77.9Confident82.2Confident34 Ų3457.6 Ų57.621%0.20931%0.307CS..PPolyproline II helixtrans-82.2160.2-173.470.20000112.8E433 P506 I509E433-T522 HydrophobicContact CG-CG2 3.81Å; P506-T522 WeakPolarHBondContact CD-O 3.3Å; I509-T522 WeakPolarHBondContact CG2-O 3.36Å
523E80.6Confident82.5Confident21 Ų2160.3 Ų60.310%0.09832%0.322CS..PPolyproline II helixtrans-60.5146.1165.1-56.2103.3126.100111.1Y470 P472 Y473 F494 I509Y470-E523 PolarHBondContact OH-OE2 3.13Å; P472-E523 HydrophobicContact CB-CG 3.87Å; Y473-E523 PolarHBondContact N-OE1 3.43Å; F494-E523 HydrophobicContact CE1-CB 4.4Å; F494-E523 HydrophobicContact CE1-CG 4.25Å; F494-E523 HydrophobicContact CZ-CB 4.05Å; F494-E523 HydrophobicContact CZ-CG 3.81Å; I509-E523 HydrophobicContact CD1-CG 4.48Å
524P85.4Confident83.2Confident6 Ų660.3 Ų60.34%0.03932%0.318CS..PPolyproline II helixtrans-82.1162.1176.434.7-36.4000112.5L474 F494 L502 Q504 P506L474-P524 WeakPolarHBondContact CD1-O 3.47Å; F494-P524 HydrophobicContact CB-CG 3.69Å; F494-P524 HydrophobicContact CD1-CG 4.27Å; F494-P524 HydrophobicContact CD2-CG 3.53Å; F494-P524 HydrophobicContact CE2-CG 4.18Å; F494-P524 HydrophobicContact CG-CG 3.57Å; L502-P524 HydrophobicContact CD2-CB 3.81Å; L502-P524 HydrophobicContact CD2-CG 3.81Å; Q504-P524 CarbonylContact O-C 3.58Å; Q504-P524 WeakPolarHBondContact O-CA 3.39Å; Q504-P524 WeakPolarHBondContact O-CB 3.43Å; P506-P524 WeakPolarHBondContact O-CB 3.43Å; P506-P524 WeakPolarHBondContact O-CG 3.45Å
525L81.6Confident83.9Confident62 Ų6261.2 Ų61.233%0.32532%0.315SS..EExtended strand (participates in β ladder)trans-106.7119-178.8-171.958.8000111.6E503 Q504 K527E503-L525 PolarHBondContact N-O 2.98Å; Q504-L525 PolarHBondContact O-N 2.86Å; L525-K527 HydrophobicContact CG-CG 4.33Å
526C86.5Confident84.5Confident3 Ų350.5 Ų50.52%0.0228%0.28CS..EExtended strand (participates in β ladder)trans-90.6121.1173.5-71.80000111.2L474 Q475 N476 C496 H500 S501L474-C526 HydrophobicContact CD1-CB 4.36Å; Q475-C526 WeakPolarHBondContact O-CB 3.47Å; N476-C526 HydrophobicContact CB-CB 4.44Å; N476-C526 WeakPolarHBondContact O-CB 3.49Å; C496-C526 WeakPolarHBondContact CA-SG 3.48Å; C496-C526 HydrophobicContact CB-CB 3.79Å; C496-C526 WeakPolarHBondContact CB-SG 3.42Å; C496-C526 WeakPolarHBondContact SG-CB 3.21Å; C496-C526 CovalentContact SG-SG 2.03Å; C496-C526 PolarHBondContact SG-SG 3.49Å; H500-C526 HydrophobicContact CB-CB 4.23Å; S501-C526 WeakPolarHBondContact O-CA 3.45Å
527K84.8Confident85.2Confident65 Ų6551 Ų5128%0.28329%0.288SS..EExtended strand (participates in β ladder)trans-130.8155.6173.3-71.2-166.7-167.5139.80112.8H500 S501 E503 L525 Q529H500-K527 CarbonylContact C-O 3.5Å; H500-K527 WeakPolarHBondContact CA-O 3.43Å; S501-K527 PolarHBondContact N-O 3.09Å; S501-K527 PolarHBondContact O-N 2.94Å; S501-K527 PolarHBondContact OG-O 2.86Å; E503-K527 IonicContact OE1-NZ 3.12Å; E503-K527 VanDerWaalsContact OE2-CD 3.28Å; E503-K527 WeakPolarHBondContact OE2-CD 3.33Å; E503-K527 VanDerWaalsContact OE2-CE 3.3Å; E503-K527 WeakPolarHBondContact OE2-CE 3.36Å; E503-K527 IonicContact OE2-NZ 2.73Å; E503-K527 PolarHBondContact OE2-NZ 2.88Å; L525-K527 HydrophobicContact CG-CG 4.33Å; K527-Q529 PolarHBondContact O-N 2.74Å
528A88.3Confident85.8Confident4 Ų451.5 Ų51.53%0.03330%0.297CS..  trans-69.7109.216300000109.3H500 L542 S543 N545 W546H500-A528 PolarHBondContact CD2-N 2.95Å; A528-L542 HydrophobicContact CB-CB 3.87Å; A528-L542 HydrophobicContact CB-CD1 4.25Å; A528-S543 WeakPolarHBondContact CB-O 3.2Å; A528-N545 PolarHBondContact O-N 2.76Å; A528-W546 HydrophobicContact CB-CB 4.14Å
529Q84.6Confident86.4Confident88 Ų8846.8 Ų46.841%0.41129%0.285SS..  trans-80.2141.6-177.4-84.3175.715.300112.5S501 K527 G531 W558S501-Q529 WeakPolarHBondContact OG-CG 3.18Å; S501-Q529 PolarHBondContact OG-NE2 2.7Å; K527-Q529 PolarHBondContact O-N 2.74Å; Q529-G531 PolarHBondContact O-N 2.68Å; Q529-G531 VanDerWaalsContact O-N 3.15Å; Q529-W558 WeakPolarHBondContact O-CZ2 3.48Å; Q529-W558 PolarHBondContact O-NE1 2.64Å; Q529-W558 VanDerWaalsContact O-NE1 3.14Å
530C88.8Confident86.9Confident56 Ų5648 Ų4838%0.37829%0.294SS..SBendtrans-72.599.5172.7177.20000110.2P544 C556C530-P544 HydrophobicContact CB-CB 4.47Å; C530-P544 HydrophobicContact CB-CG 4.21Å; C530-C556 VanDerWaalsContact CA-SG 3.56Å; C530-C556 HydrophobicContact CB-CB 4.07Å; C530-C556 WeakPolarHBondContact CB-SG 3.45Å; C530-C556 WeakPolarHBondContact SG-CA 3.44Å; C530-C556 WeakPolarHBondContact SG-CB 3.49Å; C530-C556 CovalentContact SG-SG 2.03Å; C530-C556 PolarHBondContact SG-SG 3.38Å
531G88.6Confident87.3Confident12 Ų1244.6 Ų44.612%0.12428%0.275CS..SBendtrans81.4-179.6-178.800000115.3Q529 S557Q529-G531 PolarHBondContact O-N 2.68Å; Q529-G531 VanDerWaalsContact O-N 3.15Å; G531-S557 CarbonylContact C-O 3.5Å; G531-S557 WeakPolarHBondContact CA-O 3.25Å
532G90Very high87.8Confident30 Ų3041.1 Ų41.131%0.30926%0.257SS..EExtended strand (participates in β ladder)trans146.8169.917800000114.2S557 W558 R559G532-S557 PolarHBondContact N-O 2.94Å; G532-W558 CarbonylContact O-C 3.51Å; G532-W558 WeakPolarHBondContact O-CA 3.39Å; G532-R559 PolarHBondContact O-N 2.82Å
533D91.4Very high88.4Confident107 Ų10739.6 Ų39.657%0.57225%0.247SC*.EExtended strand (participates in β ladder)trans-100.9114.8175.3-67.8-68.8000110.3R559D533-R559 IonicContact OD1-CZ 3.2Å; D533-R559 IonicContact OD1-NE 3.38Å; D533-R559 PolarHBondContact OD1-NE 3.38Å; D533-R559 IonicContact OD1-NH2 2.84Å; D533-R559 PolarHBondContact OD1-NH2 2.83Å; D533-R559 IonicContact OD2-CZ 2.68Å; D533-R559 IonicContact OD2-NH2 3.12Å; D533-R559 PolarHBondContact OD2-NH2 3.4Å
534L90.8Very high88.8Confident43 Ų4338.7 Ų38.723%0.22524%0.243CC..EExtended strand (participates in β ladder)trans-108.5102.4-170.4-63.8174.6000110I541 W558 R559 I560 H561 Y638L534-I541 HydrophobicContact CD1-CD1 3.69Å; L534-I541 HydrophobicContact CD1-CG1 3.64Å; L534-W558 HydrophobicContact CD1-CB 4.04Å; L534-W558 HydrophobicContact CD1-CG 4.45Å; L534-R559 PolarHBondContact N-O 2.91Å; L534-I560 HydrophobicContact CB-CG1 4.41Å; L534-I560 HydrophobicContact CD1-CG1 4.21Å; L534-I560 WeakPolarHBondContact O-CA 3.23Å; L534-H561 PolarHBondContact O-N 2.98Å; L534-Y638 HydrophobicContact CB-CE1 4.37Å; L534-Y638 HydrophobicContact CD1-CE1 3.99Å
535T87.9Confident88.6Confident115 Ų11541.3 Ų41.371%0.70626%0.257SS*.EExtended strand (participates in β ladder)trans-117.687.7-174.840.80000110.7H561T535-H561 HydrophobicContact CG2-CB 4.22Å
536G85.8Confident88.7Confident19 Ų1941 Ų4120%0.19625%0.252CS..SBendtrans-169.9166.9-177.700000113.9G538G536-G538 PolarHBondContact O-N 2.63Å
537P87.6Confident88.2Confident94 Ų9444.3 Ų44.361%0.6127%0.273SS*.SBendtrans-71.8-5-179.831.8-36.9000113.4E640P537-E640 HydrophobicContact CB-CG 3.82Å; P537-E640 WeakPolarHBondContact O-CG 3.23Å; P537-E640 PolarHBondContact O-N 3.01Å
538G91Very high87.8Confident33 Ų3344.9 Ų44.934%0.3428%0.277SS..EExtended strand (participates in β ladder)trans169.8167.4173.800000111.9G536 Y638G536-G538 PolarHBondContact O-N 2.63Å; G538-Y638 CarbonylContact C-O 3.52Å; G538-Y638 WeakPolarHBondContact CA-O 3.16Å
539G91.4Very high87.1Confident21 Ų2151.2 Ų51.222%0.21630%0.3CS..EExtended strand (participates in β ladder)trans172.5-179.6-179.600000111.9N637 Y638G539-N637 PolarHBondContact O-OD1 2.6Å; G539-N637 VanDerWaalsContact O-OD1 3.13Å; G539-Y638 VanDerWaalsContact C-CD1 3.49Å; G539-Y638 VanDerWaalsContact C-CE1 3.46Å; G539-Y638 VanDerWaalsContact CA-CE1 3.44Å; G539-Y638 PolarHBondContact N-O 2.86Å; G539-Y638 WeakPolarHBondContact O-CD1 3.43Å; G539-Y638 PolarHBondContact O-N 3.29Å
540V93.5Very high87.1Confident38 Ų3847.2 Ų47.223%0.2328%0.281CS..EExtended strand (participates in β ladder)trans-114.4136.6-178.1-171.40000109.7P498 G499 L542 I635P498-V540 HydrophobicContact CB-CG2 4.08Å; G499-V540 VanDerWaalsContact CA-O 3.27Å; G499-V540 WeakPolarHBondContact CA-O 3.19Å; V540-L542 HydrophobicContact CG1-CD2 3.69Å; V540-L542 HydrophobicContact CG1-CG 4.03Å; V540-I635 HydrophobicContact CG1-CG2 4.08Å
541I94.4Very high86.5Confident2 Ų245.3 Ų45.31%0.0127%0.271CS..EExtended strand (participates in β ladder)trans-109.1130.2167.2-55.2174.2000107.1L534 W558 I560 V617 F634 I636 Y638L534-I541 HydrophobicContact CD1-CD1 3.69Å; L534-I541 HydrophobicContact CD1-CG1 3.64Å; I541-W558 HydrophobicContact CD1-CB 3.97Å; I541-W558 HydrophobicContact CD1-CG 4.31Å; I541-W558 HydrophobicContact CG2-CD2 3.58Å; I541-W558 HydrophobicContact CG2-CE3 3.98Å; I541-W558 HydrophobicContact CG2-CG 3.86Å; I541-W558 HydrophobicContact CG2-CZ2 4.18Å; I541-W558 HydrophobicContact CG2-CZ3 4.44Å; I541-I560 HydrophobicContact CD1-CD1 3.82Å; I541-I560 HydrophobicContact CD1-CG1 4.16Å; I541-V617 HydrophobicContact CD1-CG2 4.13Å; I541-F634 HydrophobicContact CG2-CE2 4.28Å; I541-I636 HydrophobicContact CB-CB 4.32Å; I541-I636 PolarHBondContact N-O 3.43Å; I541-I636 PolarHBondContact O-N 3.45Å; I541-Y638 HydrophobicContact CD1-CD1 4.39Å; I541-Y638 HydrophobicContact CG1-CD1 4.23Å
542L92.5Very high86.1Confident11 Ų1150.3 Ų50.36%0.05829%0.291CS..EExtended strand (participates in β ladder)trans-120.1156.2-178.4-59.5171.6000109H500 A528 V540 W546 F634 I635H500-L542 WeakPolarHBondContact CE1-CD1 3.09Å; A528-L542 HydrophobicContact CB-CB 3.87Å; A528-L542 HydrophobicContact CB-CD1 4.25Å; V540-L542 HydrophobicContact CG1-CD2 3.69Å; V540-L542 HydrophobicContact CG1-CG 4.03Å; L542-W546 HydrophobicContact CB-CB 3.91Å; L542-W546 HydrophobicContact CB-CG 4.16Å; L542-W546 HydrophobicContact CD1-CB 4.45Å; L542-W546 HydrophobicContact CD1-CG 4.29Å; L542-W546 HydrophobicContact CD2-CG 4.25Å; L542-W546 HydrophobicContact CG-CG 4.47Å; L542-F634 WeakPolarHBondContact CA-O 3.15Å; L542-I635 HydrophobicContact CD2-CB 4.35Å; L542-I635 HydrophobicContact CD2-CG1 4.04Å; L542-I635 HydrophobicContact CD2-CG2 4.04Å
543S91.4Very high85.6Confident1 Ų150.8 Ų50.81%0.00730%0.296CS..  trans-62.7151.3168.653.50000111.2A528 N545 W546 G633 F634A528-S543 WeakPolarHBondContact CB-O 3.2Å; S543-N545 PolarHBondContact O-N 2.91Å; S543-W546 VanDerWaalsContact O-CB 3.24Å; S543-W546 WeakPolarHBondContact O-CB 3.44Å; S543-W546 PolarHBondContact O-N 3.33Å; S543-W546 VanDerWaalsContact O-N 3.12Å; S543-G633 WeakPolarHBondContact OG-CA 3.36Å; S543-F634 PolarHBondContact N-O 3.43Å; S543-F634 VanDerWaalsContact N-O 3.13Å; S543-F634 PolarHBondContact OG-N 3.38Å
544P88.9Confident85.4Confident3 Ų348.2 Ų48.22%0.01928%0.281CS..THydrogen-bonded Turntrans-52.5138.2179.5-27.235.6000112.3C530 W546 Y550 C556 F619C530-P544 HydrophobicContact CB-CB 4.47Å; C530-P544 HydrophobicContact CB-CG 4.21Å; P544-W546 PolarHBondContact O-N 3.32Å; P544-Y550 WeakPolarHBondContact O-CA 3.43Å; P544-C556 WeakPolarHBondContact CG-SG 3.38Å; P544-F619 HydrophobicContact CG-CD1 4.48Å
545N81.3Confident85.3Confident60 Ų6051.8 Ų51.832%0.32130%0.3SS..THydrogen-bonded Turntrans64.74.3-177.6-50.9-59.1000117.2A528 S543 E548A528-N545 PolarHBondContact O-N 2.76Å; S543-N545 PolarHBondContact O-N 2.91Å; N545-E548 CarbonylContact C-O 3.48Å; N545-E548 HydrophobicContact CB-CB 4.47Å; N545-E548 WeakPolarHBondContact O-CB 3.23Å; N545-E548 PolarHBondContact O-N 2.95Å
546W83.9Confident85.6Confident56 Ų5646.3 Ų46.321%0.21227%0.266CS..THydrogen-bonded Turntrans-47.8131.7177.7179.2-79.9000112.3H500 A528 L542 S543 P544 L574 E632 I635H500-W546 PolarHBondContact NE2-O 2.98Å; A528-W546 HydrophobicContact CB-CB 4.14Å; L542-W546 HydrophobicContact CB-CB 3.91Å; L542-W546 HydrophobicContact CB-CG 4.16Å; L542-W546 HydrophobicContact CD1-CB 4.45Å; L542-W546 HydrophobicContact CD1-CG 4.29Å; L542-W546 HydrophobicContact CD2-CG 4.25Å; L542-W546 HydrophobicContact CG-CG 4.47Å; S543-W546 VanDerWaalsContact O-CB 3.24Å; S543-W546 WeakPolarHBondContact O-CB 3.44Å; S543-W546 PolarHBondContact O-N 3.33Å; S543-W546 VanDerWaalsContact O-N 3.12Å; P544-W546 PolarHBondContact O-N 3.32Å; W546-L574 HydrophobicContact CH2-CD2 3.51Å; W546-L574 HydrophobicContact CZ3-CD2 3.76Å; W546-E632 VanDerWaalsContact CZ3-O 3.23Å; W546-E632 WeakPolarHBondContact CZ3-O 3.14Å; W546-I635 HydrophobicContact CH2-CD1 3.83Å; W546-I635 HydrophobicContact CH2-CG1 4Å; W546-I635 HydrophobicContact CZ2-CD1 3.58Å; W546-I635 HydrophobicContact CZ2-CG1 3.95Å; W546-I635 HydrophobicContact CZ3-CG1 4.31Å
547P76.3Confident86Confident72 Ų7247.2 Ų47.247%0.46827%0.27SS..THydrogen-bonded Turncis-88.86.21436.8-38.4000115.8
548E75.3Confident86.3Confident78 Ų7843.3 Ų43.336%0.36424%0.243SC..SBendtrans-80.3160.5169.3-62.6-70164.700110.6R403 N545R403-E548 IonicContact CZ-OE1 2.75Å; R403-E548 IonicContact CZ-OE2 2.7Å; R403-E548 IonicContact NH1-OE1 3.63Å; R403-E548 PolarHBondContact NH1-OE1 2.85Å; R403-E548 IonicContact NH1-OE2 3.77Å; R403-E548 PolarHBondContact NH1-OE2 3.33Å; R403-E548 IonicContact NH2-OE2 2.68Å; N545-E548 CarbonylContact C-O 3.48Å; N545-E548 HydrophobicContact CB-CB 4.47Å; N545-E548 WeakPolarHBondContact O-CB 3.23Å; N545-E548 PolarHBondContact O-N 2.95Å
549W74.3Confident86.4Confident136 Ų13647.3 Ų47.352%0.51525%0.248SC..PPolyproline II helixtrans-62.5144.9-179.9-48.886.6000112K630 G631 E632W549-K630 HydrophobicContact CB-CD 4.13Å; W549-K630 HydrophobicContact CD2-CB 4.45Å; W549-K630 HydrophobicContact CE3-CB 3.79Å; W549-K630 HydrophobicContact CZ3-CB 4.45Å; W549-K630 VanDerWaalsContact CZ3-O 3.24Å; W549-K630 WeakPolarHBondContact CZ3-O 3.4Å; W549-G631 VanDerWaalsContact CE3-O 3.22Å; W549-G631 WeakPolarHBondContact CZ3-O 3.41Å; W549-E632 HydrophobicContact CH2-CG 4.19Å; W549-E632 HydrophobicContact CZ3-CB 4.48Å; W549-E632 HydrophobicContact CZ3-CG 4.2Å
550Y84.4Confident86.5Confident4 Ų446.5 Ų46.52%0.01624%0.238CC..PPolyproline II helixtrans-70158.9177.954.2-93.7000112.7P544 I577 S578 D581 F619 K630 G631P544-Y550 WeakPolarHBondContact O-CA 3.43Å; Y550-I577 HydrophobicContact CE1-CG2 4.33Å; Y550-S578 PolarHBondContact OH-N 3.45Å; Y550-D581 WeakPolarHBondContact CE2-OD2 3.36Å; Y550-D581 VanDerWaalsContact CZ-OD2 3.24Å; Y550-D581 PolarHBondContact OH-OD2 3.46Å; Y550-F619 HydrophobicContact CD1-CZ 4.49Å; Y550-F619 AromaticContact CD2-CE1 3.97Å; Y550-F619 HydrophobicContact CD2-CE1 3.97Å; Y550-F619 AromaticContact CD2-CZ 3.78Å; Y550-F619 HydrophobicContact CD2-CZ 3.78Å; Y550-F619 HydrophobicContact CE1-CZ 4.48Å; Y550-F619 HydrophobicContact CE2-CE1 4.42Å; Y550-F619 AromaticContact CE2-CZ 3.78Å; Y550-F619 HydrophobicContact CE2-CZ 3.78Å; Y550-F619 HydrophobicContact CG-CE1 4.19Å; Y550-F619 HydrophobicContact CG-CZ 4.15Å; Y550-K630 PolarHBondContact O-NZ 3.36Å; Y550-G631 VanDerWaalsContact CE1-O 3.23Å; Y550-G631 WeakPolarHBondContact CE1-O 3.31Å; Y550-G631 PolarHBondContact OH-N 3.47Å; Y550-G631 VanDerWaalsContact OH-N 3.16Å
551G75.9Confident86.4Confident17 Ų1748 Ų4818%0.17524%0.243CC..PPolyproline II helixtrans-71.6166.9179.100000114E554 S621G551-E554 WeakPolarHBondContact O-CG 3.35Å; G551-S621 PolarHBondContact O-OG 3.45Å
552E79.4Confident86.3Confident116 Ų11648.1 Ų48.154%0.54224%0.243SC..THydrogen-bonded Turntrans-90.4132.8171-74.7145.3-118.500109.8E554 K630E552-E554 VanDerWaalsContact C-N 3.35Å; E552-K630 WeakPolarHBondContact OE1-CE 3.29Å; E552-K630 IonicContact OE1-NZ 2.64Å; E552-K630 PolarHBondContact OE1-NZ 2.82Å
553G80.9Confident86Confident40 Ų4049.4 Ų49.441%0.41226%0.259SS..THydrogen-bonded Turntrans7222-176.600000115.3S621 D622G553-S621 PolarHBondContact N-OG 3.34Å; G553-S621 VanDerWaalsContact N-OG 3.15Å; G553-D622 PolarHBondContact N-O 2.97Å
554E85.9Confident85.5Confident54 Ų5456.2 Ų56.225%0.25229%0.291SS..  trans-67.2135.6172.5-62.5-75.7-174.400110.1G551 E552 H620 S621G551-E554 WeakPolarHBondContact O-CG 3.35Å; E552-E554 VanDerWaalsContact C-N 3.35Å; E554-H620 WeakPolarHBondContact O-CA 3.38Å; E554-S621 PolarHBondContact N-OG 3.38Å; E554-S621 PolarHBondContact O-N 3.1Å
555D90.1Very high84.9Confident117 Ų11762.6 Ų62.663%0.62633%0.325SS*.EExtended strand (participates in β ladder)trans-131.191.4179.2-17411.3000109.2H620D555-H620 IonicContact OD1-CE1 3.74Å; D555-H620 PolarHBondContact OD1-CE1 2.9Å; D555-H620 IonicContact OD1-ND1 3.68Å; D555-H620 PolarHBondContact OD1-ND1 2.85Å
556C93.3Very high85Confident0 Ų062.8 Ų62.80%032%0.323CS..EExtended strand (participates in β ladder)trans-112.1136.2-167.6-51.30000111.6C530 P544 W558 T618 F619C530-C556 VanDerWaalsContact CA-SG 3.56Å; C530-C556 HydrophobicContact CB-CB 4.07Å; C530-C556 WeakPolarHBondContact CB-SG 3.45Å; C530-C556 WeakPolarHBondContact SG-CA 3.44Å; C530-C556 WeakPolarHBondContact SG-CB 3.49Å; C530-C556 CovalentContact SG-SG 2.03Å; C530-C556 PolarHBondContact SG-SG 3.38Å; P544-C556 WeakPolarHBondContact CG-SG 3.38Å; C556-W558 HydrophobicContact CB-CE3 4.32Å; C556-W558 HydrophobicContact CB-CH2 3.38Å; C556-W558 HydrophobicContact CB-CZ2 3.96Å; C556-W558 HydrophobicContact CB-CZ3 3.59Å; C556-T618 CarbonylContact O-C 3.53Å; C556-T618 VanDerWaalsContact O-CA 3.25Å; C556-T618 WeakPolarHBondContact O-CA 3.48Å; C556-F619 HydrophobicContact CB-CB 4.4Å; C556-F619 PolarHBondContact N-O 3.37Å; C556-F619 PolarHBondContact O-N 2.75Å
557S93.8Very high85.1Confident39 Ų3962.9 Ų62.927%0.27332%0.323SS..EExtended strand (participates in β ladder)trans-134.6114.7176.6179.60000111.1G531 G532 T616 V617G531-S557 CarbonylContact C-O 3.5Å; G531-S557 WeakPolarHBondContact CA-O 3.25Å; G532-S557 PolarHBondContact N-O 2.94Å; S557-T616 WeakPolarHBondContact OG-CG2 3.48Å; S557-V617 WeakPolarHBondContact CA-O 3.4Å
558W94.3Very high85.8Confident12 Ų1259.4 Ų59.45%0.04530%0.301CS..EExtended strand (participates in β ladder)trans-102.5121.9172.9-59.3-91.6000109Q529 G532 L534 I541 C556 T616 V617 F619 F634Q529-W558 WeakPolarHBondContact O-CZ2 3.48Å; Q529-W558 PolarHBondContact O-NE1 2.64Å; Q529-W558 VanDerWaalsContact O-NE1 3.14Å; G532-W558 CarbonylContact O-C 3.51Å; G532-W558 WeakPolarHBondContact O-CA 3.39Å; L534-W558 HydrophobicContact CD1-CB 4.04Å; L534-W558 HydrophobicContact CD1-CG 4.45Å; I541-W558 HydrophobicContact CD1-CB 3.97Å; I541-W558 HydrophobicContact CD1-CG 4.31Å; I541-W558 HydrophobicContact CG2-CD2 3.58Å; I541-W558 HydrophobicContact CG2-CE3 3.98Å; I541-W558 HydrophobicContact CG2-CG 3.86Å; I541-W558 HydrophobicContact CG2-CZ2 4.18Å; I541-W558 HydrophobicContact CG2-CZ3 4.44Å; C556-W558 HydrophobicContact CB-CE3 4.32Å; C556-W558 HydrophobicContact CB-CH2 3.38Å; C556-W558 HydrophobicContact CB-CZ2 3.96Å; C556-W558 HydrophobicContact CB-CZ3 3.59Å; W558-T616 WeakPolarHBondContact O-CA 3.41Å; W558-V617 HydrophobicContact CE3-CB 4.4Å; W558-V617 HydrophobicContact CE3-CG1 4.4Å; W558-V617 PolarHBondContact N-O 2.77Å; W558-V617 PolarHBondContact O-N 2.85Å; W558-F619 HydrophobicContact CH2-CB 4.28Å; W558-F619 HydrophobicContact CZ3-CB 3.84Å; W558-F634 HydrophobicContact CH2-CE2 4.2Å; W558-F634 AromaticContact CH2-CZ 3.79Å; W558-F634 HydrophobicContact CH2-CZ 3.79Å; W558-F634 HydrophobicContact CZ3-CE2 4.33Å; W558-F634 AromaticContact CZ3-CZ 3.97Å; W558-F634 HydrophobicContact CZ3-CZ 3.97Å
559R93Very high86.4Confident117 Ų11757.5 Ų57.544%0.44229%0.293SS..EExtended strand (participates in β ladder)trans-103.5114.3177-67.5-179.2-66.2-89.1-4.6109G532 D533 L534 T616G532-R559 PolarHBondContact O-N 2.82Å; D533-R559 IonicContact OD1-CZ 3.2Å; D533-R559 IonicContact OD1-NE 3.38Å; D533-R559 PolarHBondContact OD1-NE 3.38Å; D533-R559 IonicContact OD1-NH2 2.84Å; D533-R559 PolarHBondContact OD1-NH2 2.83Å; D533-R559 IonicContact OD2-CZ 2.68Å; D533-R559 IonicContact OD2-NH2 3.12Å; D533-R559 PolarHBondContact OD2-NH2 3.4Å; L534-R559 PolarHBondContact N-O 2.91Å; R559-T616 HydrophobicContact CG-CG2 4.1Å
560I93.8Very high87.3Confident3 Ų351 Ų512%0.01527%0.269CS..EExtended strand (participates in β ladder)trans-97.3127.4178.5-48.6171.1000108.3L534 I541 V568 L570 D614 L615 V617 Y638L534-I560 HydrophobicContact CB-CG1 4.41Å; L534-I560 HydrophobicContact CD1-CG1 4.21Å; L534-I560 WeakPolarHBondContact O-CA 3.23Å; I541-I560 HydrophobicContact CD1-CD1 3.82Å; I541-I560 HydrophobicContact CD1-CG1 4.16Å; I560-V568 HydrophobicContact CB-CG2 4.33Å; I560-V568 HydrophobicContact CD1-CG1 4.15Å; I560-V568 HydrophobicContact CG2-CG1 4.27Å; I560-V568 HydrophobicContact CG2-CG2 3.8Å; I560-L570 HydrophobicContact CD1-CD2 3.92Å; I560-D614 WeakPolarHBondContact O-CA 3.36Å; I560-L615 WeakPolarHBondContact CA-O 2.99Å; I560-L615 WeakPolarHBondContact CB-O 3.31Å; I560-L615 HydrophobicContact CD1-CD2 4.17Å; I560-L615 PolarHBondContact N-O 2.98Å; I560-L615 PolarHBondContact O-N 3.31Å; I560-V617 HydrophobicContact CD1-CG2 4.34Å; I560-Y638 HydrophobicContact CD1-CD1 4.21Å; I560-Y638 HydrophobicContact CD1-CD2 4.41Å; I560-Y638 HydrophobicContact CD1-CG 3.97Å; I560-Y638 HydrophobicContact CG2-CD2 3.61Å; I560-Y638 HydrophobicContact CG2-CE2 3.66Å; I560-Y638 HydrophobicContact CG2-CG 4.22Å
561H92.3Very high87.6Confident71 Ų7152.3 Ų52.333%0.32928%0.276SS..EExtended strand (participates in β ladder)trans-127116.2172.3174.982.8000109.6L534 T535 D614L534-H561 PolarHBondContact O-N 2.98Å; T535-H561 HydrophobicContact CG2-CB 4.22Å; H561-D614 IonicContact CE1-OD1 3.62Å; H561-D614 IonicContact CG-OD1 3.5Å; H561-D614 IonicContact ND1-OD1 3.65Å; H561-D614 PolarHBondContact ND1-OD1 3.05Å
562V90.8Very high88.4Confident3 Ų351.6 Ų51.62%0.01827%0.268CS..  trans-103.1165.2169.6-63.20000110.2K566 V568 P613 E640V562-K566 HydrophobicContact CB-CB 4.26Å; V562-K566 HydrophobicContact CG2-CB 3.79Å; V562-V568 HydrophobicContact CG1-CG2 4.08Å; V562-V568 HydrophobicContact CG2-CG2 3.98Å; V562-P613 HydrophobicContact CG2-CB 4.15Å; V562-P613 WeakPolarHBondContact CG2-O 3.39Å; V562-P613 PolarHBondContact N-O 2.86Å; V562-P613 WeakPolarHBondContact O-CB 3.48Å; V562-E640 HydrophobicContact CB-CB 4.17Å; V562-E640 HydrophobicContact CG1-CB 3.88Å
563G86.2Confident88.8Confident38 Ų3850.8 Ų50.839%0.39226%0.264SS..  trans-58.8144.6-177.400000113.6D565 K566G563-D565 VanDerWaalsContact C-N 3.28Å; G563-D565 PolarHBondContact O-N 2.99Å; G563-K566 WeakPolarHBondContact O-CA 3.47Å; G563-K566 WeakPolarHBondContact O-CB 3.12Å; G563-K566 WeakPolarHBondContact O-CG 3.41Å; G563-K566 PolarHBondContact O-N 3.36Å
564E81.5Confident89.1Confident145 Ų14551.3 Ų51.368%0.67826%0.257SS*.THydrogen-bonded Turntrans-40.2-41-171.2-56.8-71.415500116.6K566E564-K566 VanDerWaalsContact C-N 3.28Å; E564-K566 PolarHBondContact O-N 3.3Å
565D76.3Confident89.3Confident136 Ų13648.9 Ų48.973%0.72725%0.246SC*.THydrogen-bonded Turntrans-84.16.5-179.5-68.7-53.1000114.1G563 R643G563-D565 VanDerWaalsContact C-N 3.28Å; G563-D565 PolarHBondContact O-N 2.99Å; D565-R643 WeakPolarHBondContact O-CB 3.24Å; D565-R643 PolarHBondContact O-N 2.83Å
566K82.8Confident89.2Confident65 Ų6545.7 Ų45.728%0.28323%0.229SC..EExtended strand (participates in β ladder)trans-112.4177.4-176.9-52.8-57177.776.20111.4V562 G563 E564 E640 V641V562-K566 HydrophobicContact CB-CB 4.26Å; V562-K566 HydrophobicContact CG2-CB 3.79Å; G563-K566 WeakPolarHBondContact O-CA 3.47Å; G563-K566 WeakPolarHBondContact O-CB 3.12Å; G563-K566 WeakPolarHBondContact O-CG 3.41Å; G563-K566 PolarHBondContact O-N 3.36Å; E564-K566 VanDerWaalsContact C-N 3.28Å; E564-K566 PolarHBondContact O-N 3.3Å; K566-E640 HydrophobicContact CB-CB 4.42Å; K566-E640 IonicContact NZ-OE1 2.7Å; K566-E640 PolarHBondContact NZ-OE1 3.32Å; K566-E640 IonicContact NZ-OE2 2.73Å; K566-V641 WeakPolarHBondContact CA-O 3.41Å
567R86.8Confident88.9Confident57 Ų5745.9 Ų45.922%0.21523%0.23CC..EExtended strand (participates in β ladder)trans-144.5150.6171.657.9178.8-179.8140.210.7109.1S610 V641 S642R567-S610 WeakPolarHBondContact CD-O 3.34Å; R567-V641 HydrophobicContact CG-CB 4.44Å; R567-V641 PolarHBondContact N-O 2.87Å; R567-V641 PolarHBondContact O-N 2.84Å; R567-S642 PolarHBondContact NE-O 2.03Å; R567-S642 VanDerWaalsContact NE-O 3.09Å
568V90.2Very high88.4Confident0 Ų045.3 Ų45.30%023%0.226CC..EExtended strand (participates in β ladder)trans-76.3131.1174.9-171.10000109.9I560 V562 L570 S610 L615 Y638I560-V568 HydrophobicContact CB-CG2 4.33Å; I560-V568 HydrophobicContact CD1-CG1 4.15Å; I560-V568 HydrophobicContact CG2-CG1 4.27Å; I560-V568 HydrophobicContact CG2-CG2 3.8Å; V562-V568 HydrophobicContact CG1-CG2 4.08Å; V562-V568 HydrophobicContact CG2-CG2 3.98Å; V568-L570 HydrophobicContact CG1-CD2 3.68Å; V568-L570 HydrophobicContact CG1-CG 4.26Å; V568-S610 WeakPolarHBondContact O-CB 3.47Å; V568-S610 PolarHBondContact O-N 3.22Å; V568-L615 HydrophobicContact CB-CB 4.23Å; V568-L615 HydrophobicContact CB-CD1 4.23Å; V568-L615 HydrophobicContact CG1-CD1 4.44Å; V568-L615 HydrophobicContact CG2-CB 3.99Å; V568-Y638 HydrophobicContact CG1-CD2 4.47Å
569L89.4Confident87.8Confident38 Ų3851.3 Ų51.320%0.19926%0.259CS..EExtended strand (participates in β ladder)trans-103.7127.5158.2-179.579.8000108L608 S609 Y638 I639 V641L569-L608 WeakPolarHBondContact CD1-O 3.45Å; L569-S609 VanDerWaalsContact CD1-OG 3.29Å; L569-S609 WeakPolarHBondContact CD1-OG 3.37Å; L569-Y638 WeakPolarHBondContact O-CA 3.01Å; L569-I639 HydrophobicContact CB-CG1 4Å; L569-I639 HydrophobicContact CD2-CD1 4.02Å; L569-I639 HydrophobicContact CD2-CG1 4.16Å; L569-I639 PolarHBondContact N-O 2.84Å; L569-I639 PolarHBondContact O-N 2.82Å; L569-V641 HydrophobicContact CB-CG2 3.47Å; L569-V641 VanDerWaalsContact CB-CG2 3.47Å; L569-V641 HydrophobicContact CD2-CG2 4.16Å; L569-V641 HydrophobicContact CG-CG2 4.41Å
570L92.1Very high87.2Confident0 Ų048.9 Ų48.90%026%0.26CS..EExtended strand (participates in β ladder)trans-99.3138171.5-55.8177.7000109.7I560 V568 F585 K607 L608 L615 I636I560-L570 HydrophobicContact CD1-CD2 3.92Å; V568-L570 HydrophobicContact CG1-CD2 3.68Å; V568-L570 HydrophobicContact CG1-CG 4.26Å; L570-F585 HydrophobicContact CD1-CD1 3.33Å; L570-F585 HydrophobicContact CD1-CE1 3.6Å; L570-F585 HydrophobicContact CD1-CG 4.29Å; L570-K607 CarbonylContact O-C 3.57Å; L570-K607 WeakPolarHBondContact O-CA 3.33Å; L570-K607 WeakPolarHBondContact O-CB 3.27Å; L570-L608 HydrophobicContact CB-CB 4.34Å; L570-L608 PolarHBondContact N-O 3.24Å; L570-L608 PolarHBondContact O-N 3.37Å; L570-L615 HydrophobicContact CD1-CD1 3.79Å; L570-L615 HydrophobicContact CD1-CD2 3.85Å; L570-L615 HydrophobicContact CD2-CD2 4.45Å; L570-L615 HydrophobicContact CG-CD1 4.1Å; L570-I636 HydrophobicContact CB-CG2 4.3Å; L570-I636 HydrophobicContact CD2-CG2 4.14Å
571D91.7Very high86.9Confident31 Ų3149.1 Ų49.117%0.16626%0.261CS..EExtended strand (participates in β ladder)trans-124.295.4176-168.921.6000107.7Q573 K607 N637D571-Q573 PolarHBondContact O-N 2.84Å; D571-K607 WeakPolarHBondContact OD1-CD 3.48Å; D571-K607 WeakPolarHBondContact OD1-CE 3.12Å; D571-K607 WeakPolarHBondContact OD1-CG 3.39Å; D571-K607 IonicContact OD1-NZ 3.62Å; D571-K607 PolarHBondContact OD1-NZ 3.29Å; D571-K607 IonicContact OD2-NZ 2.77Å; D571-K607 PolarHBondContact OD2-NZ 2.68Å; D571-N637 HydrophobicContact CB-CB 4.29Å; D571-N637 PolarHBondContact N-O 2.97Å; D571-N637 PolarHBondContact O-N 3.18Å
572V91.8Very high86.8Confident1 Ų148.2 Ų48.21%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-83.698.6-177.1-175.70000107.4L575 F585 P605 F606 I636V572-L575 HydrophobicContact CG1-CB 3.73Å; V572-L575 HydrophobicContact CG1-CD2 4.34Å; V572-F585 HydrophobicContact CG2-CZ 4Å; V572-P605 VanDerWaalsContact O-CA 3.23Å; V572-P605 WeakPolarHBondContact O-CA 3.38Å; V572-P605 WeakPolarHBondContact O-CB 3.37Å; V572-F606 HydrophobicContact CB-CD1 4.37Å; V572-F606 HydrophobicContact CB-CD2 4.24Å; V572-F606 HydrophobicContact CB-CE1 4.17Å; V572-F606 HydrophobicContact CB-CE2 4.02Å; V572-F606 HydrophobicContact CB-CG 4.4Å; V572-F606 HydrophobicContact CB-CZ 3.97Å; V572-F606 WeakPolarHBondContact CB-O 3.41Å; V572-F606 HydrophobicContact CG1-CE1 4Å; V572-F606 HydrophobicContact CG1-CZ 4Å; V572-F606 HydrophobicContact CG2-CD2 4.09Å; V572-F606 HydrophobicContact CG2-CE1 4.46Å; V572-F606 HydrophobicContact CG2-CE2 3.56Å; V572-F606 HydrophobicContact CG2-CZ 3.77Å; V572-F606 PolarHBondContact N-O 3.03Å; V572-F606 PolarHBondContact O-N 2.99Å; V572-F606 VanDerWaalsContact O-N 3.13Å; V572-I636 HydrophobicContact CG1-CG1 4.45Å; V572-I636 HydrophobicContact CG2-CG1 4.35Å; V572-I636 HydrophobicContact CG2-CG2 4.28Å
573Q88.8Confident86.9Confident100 Ų10048.1 Ų48.147%0.46726%0.257SS..EExtended strand (participates in β ladder)trans-85-29.2-174.4-64.5-175.6-8.100112.3D571 P605 I635D571-Q573 PolarHBondContact O-N 2.84Å; Q573-P605 WeakPolarHBondContact O-CG 3.4Å; Q573-I635 HydrophobicContact CB-CB 4.49Å; Q573-I635 HydrophobicContact CB-CG2 4.41Å; Q573-I635 PolarHBondContact N-O 2.93Å
574L87.4Confident87.2Confident50 Ų5046.8 Ų46.826%0.26224%0.241SC..EExtended strand (participates in β ladder)trans-142.9134.8171.6-179.168000108.6W546 N576 F634 I635W546-L574 HydrophobicContact CH2-CD2 3.51Å; W546-L574 HydrophobicContact CZ3-CD2 3.76Å; L574-N576 HydrophobicContact CD1-CB 4.41Å; L574-F634 CarbonylContact O-C 3.57Å; L574-F634 VanDerWaalsContact O-CA 3.23Å; L574-F634 WeakPolarHBondContact O-CA 3.31Å; L574-F634 WeakPolarHBondContact O-CB 3.08Å; L574-I635 HydrophobicContact CB-CB 4.11Å; L574-I635 HydrophobicContact CB-CD1 4.15Å; L574-I635 HydrophobicContact CB-CG1 4.04Å; L574-I635 HydrophobicContact CD2-CD1 4.25Å; L574-I635 HydrophobicContact CD2-CG1 4.32Å; L574-I635 PolarHBondContact N-O 2.89Å; L574-I635 PolarHBondContact O-N 2.77Å
575L90.1Very high87.9Confident4 Ų439.9 Ų39.92%0.02121%0.209CC..EExtended strand (participates in β ladder)trans-146.5100166.817753.6000109.1V572 I577 L583 Y599 G602 S603 F606 F634V572-L575 HydrophobicContact CG1-CB 3.73Å; V572-L575 HydrophobicContact CG1-CD2 4.34Å; L575-I577 HydrophobicContact CD1-CD1 4.18Å; L575-I577 HydrophobicContact CD1-CG1 4.08Å; L575-I577 HydrophobicContact CD1-CG2 4.08Å; L575-L583 HydrophobicContact CD1-CB 4.49Å; L575-L583 HydrophobicContact CD1-CD2 3.62Å; L575-L583 HydrophobicContact CD2-CD2 3.96Å; L575-L583 HydrophobicContact CG-CD2 4.46Å; L575-Y599 HydrophobicContact CD2-CD1 4.09Å; L575-Y599 HydrophobicContact CD2-CG 3.92Å; L575-G602 WeakPolarHBondContact O-CA 3.49Å; L575-S603 PolarHBondContact O-N 2.84Å; L575-F606 HydrophobicContact CD2-CE1 4Å; L575-F606 HydrophobicContact CD2-CZ 4.08Å; L575-F634 HydrophobicContact CD1-CB 3.85Å; L575-F634 HydrophobicContact CD1-CD1 4.49Å
576N87.3Confident88.6Confident50 Ų5034.4 Ų34.427%0.26718%0.18SC..EExtended strand (participates in β ladder)trans-136.887.2179.4-174.412.2000108.3L574 G631 E632 G633L574-N576 HydrophobicContact CD1-CB 4.41Å; N576-G631 CarbonylContact O-C 3.55Å; N576-G631 WeakPolarHBondContact O-CA 3.47Å; N576-E632 HydrophobicContact CB-CB 4.25Å; N576-E632 WeakPolarHBondContact ND2-CG 3.38Å; N576-E632 PolarHBondContact ND2-OE2 3.5Å; N576-E632 PolarHBondContact O-N 3.15Å; N576-G633 CarbonylContact C-O 3.45Å; N576-G633 PolarHBondContact N-O 3.43Å; N576-G633 PolarHBondContact O-N 2.96Å
577I87.3Confident89Confident4 Ų431.4 Ų31.42%0.02117%0.167CC..  trans-113.4171.5177.855.8173.1000109.7Y550 L575 D581 L583 G601 F619 F634Y550-I577 HydrophobicContact CE1-CG2 4.33Å; L575-I577 HydrophobicContact CD1-CD1 4.18Å; L575-I577 HydrophobicContact CD1-CG1 4.08Å; L575-I577 HydrophobicContact CD1-CG2 4.08Å; I577-D581 HydrophobicContact CB-CB 4.24Å; I577-D581 HydrophobicContact CD1-CB 4.42Å; I577-L583 HydrophobicContact CD1-CB 4Å; I577-G601 WeakPolarHBondContact CG1-O 2.98Å; I577-G601 PolarHBondContact N-O 2.94Å; I577-G601 VanDerWaalsContact N-O 3.09Å; I577-G601 CarbonylContact O-C 3.48Å; I577-G601 VanDerWaalsContact O-C 3.22Å; I577-G601 WeakPolarHBondContact O-CA 3.39Å; I577-F619 HydrophobicContact CB-CE2 4.49Å; I577-F619 HydrophobicContact CD1-CE2 4.37Å; I577-F619 HydrophobicContact CG2-CE2 3.95Å; I577-F634 HydrophobicContact CG2-CD1 3.95Å
578S83.8Confident88.7Confident27 Ų2728.8 Ų28.819%0.18916%0.158CC..  trans-62.6156.7173.9-175.20000111.3Y550 S580 D581 G601Y550-S578 PolarHBondContact OH-N 3.45Å; S578-S580 WeakPolarHBondContact CB-OG 3.48Å; S578-S580 PolarHBondContact O-N 2.91Å; S578-S580 PolarHBondContact OG-N 2.92Å; S578-S580 VanDerWaalsContact OG-N 3.15Å; S578-S580 PolarHBondContact OG-OG 3.34Å; S578-D581 WeakPolarHBondContact CB-OD2 3.33Å; S578-D581 PolarHBondContact N-OD2 2.8Å; S578-D581 PolarHBondContact O-N 2.84Å; S578-G601 PolarHBondContact O-N 3.2Å
579D81.4Confident87.9Confident138 Ų13831.8 Ų31.874%0.73817%0.174SC*.SBendtrans-65.6-15.3166-68.2-33.4000112.5G601D579-G601 VanDerWaalsContact OD1-CA 3.29Å; D579-G601 WeakPolarHBondContact OD1-CA 3.23Å
580S80Confident86.8Confident66 Ų6639.1 Ų39.146%0.46221%0.207SC..SBendtrans-93.2-19.9173.756.90000114.6S578 D622S578-S580 WeakPolarHBondContact CB-OG 3.48Å; S578-S580 PolarHBondContact O-N 2.91Å; S578-S580 PolarHBondContact OG-N 2.92Å; S578-S580 VanDerWaalsContact OG-N 3.15Å; S578-S580 PolarHBondContact OG-OG 3.34Å; S580-D622 WeakPolarHBondContact CB-OD2 3.5Å; S580-D622 PolarHBondContact OG-OD2 3.38Å
581D87.1Confident85.4Confident8 Ų845.1 Ų45.14%0.04324%0.244CC..  trans-88.7161.5178.6-59.9-40.2000110.8Y550 I577 S578 V600 F619 S621 D622Y550-D581 WeakPolarHBondContact CE2-OD2 3.36Å; Y550-D581 VanDerWaalsContact CZ-OD2 3.24Å; Y550-D581 PolarHBondContact OH-OD2 3.46Å; I577-D581 HydrophobicContact CB-CB 4.24Å; I577-D581 HydrophobicContact CD1-CB 4.42Å; S578-D581 WeakPolarHBondContact CB-OD2 3.33Å; S578-D581 PolarHBondContact N-OD2 2.8Å; S578-D581 PolarHBondContact O-N 2.84Å; D581-V600 WeakPolarHBondContact O-CG1 3.43Å; D581-F619 HydrophobicContact CB-CE2 4.08Å; D581-F619 HydrophobicContact CB-CZ 4.34Å; D581-S621 WeakPolarHBondContact OD1-CA 3.28Å; D581-S621 VanDerWaalsContact OD1-CB 3.27Å; D581-S621 WeakPolarHBondContact OD1-CB 3.49Å; D581-D622 PolarHBondContact OD1-N 2.96Å
582M90.4Very high84.4Confident52 Ų5248 Ų4826%0.25626%0.262SS..EExtended strand (participates in β ladder)trans-143129.5-176.4-168.2173.5-65.100114.6R598 V600 F619 H620M582-R598 PolarHBondContact SD-NE 2.78Å; M582-R598 VanDerWaalsContact SD-NE 3.42Å; M582-R598 PolarHBondContact SD-NH2 2.86Å; M582-V600 HydrophobicContact CB-CG1 4.41Å; M582-V600 HydrophobicContact CE-CG1 3.99Å; M582-V600 HydrophobicContact CG-CG1 4.23Å; M582-F619 WeakPolarHBondContact O-CA 3.42Å; M582-F619 WeakPolarHBondContact O-CD2 3.34Å; M582-H620 PolarHBondContact N-O 2.92Å; M582-H620 PolarHBondContact O-N 2.84Å
583L93.4Very high83.8Confident0 Ų052.1 Ų52.10%029%0.288CS..EExtended strand (participates in β ladder)trans-109.1126.5170-173.470.7000109.9L575 I577 F585 R598 Y599 V617 T618 F619 F634 I636L575-L583 HydrophobicContact CD1-CB 4.49Å; L575-L583 HydrophobicContact CD1-CD2 3.62Å; L575-L583 HydrophobicContact CD2-CD2 3.96Å; L575-L583 HydrophobicContact CG-CD2 4.46Å; I577-L583 HydrophobicContact CD1-CB 4Å; L583-F585 HydrophobicContact CD2-CE1 4.5Å; L583-F585 HydrophobicContact CD2-CE2 3.79Å; L583-F585 HydrophobicContact CD2-CZ 3.57Å; L583-F585 HydrophobicContact CG-CE2 4.06Å; L583-F585 HydrophobicContact CG-CZ 4.09Å; L583-R598 WeakPolarHBondContact O-CA 3.13Å; L583-Y599 PolarHBondContact N-O 3.07Å; L583-Y599 PolarHBondContact O-N 2.92Å; L583-V617 HydrophobicContact CD1-CG1 3.75Å; L583-T618 CarbonylContact C-O 3.58Å; L583-T618 WeakPolarHBondContact CA-O 3.43Å; L583-F619 HydrophobicContact CB-CD2 4.44Å; L583-F619 HydrophobicContact CD1-CB 3.95Å; L583-F619 HydrophobicContact CD1-CD2 4.32Å; L583-F634 HydrophobicContact CD1-CD1 4.48Å; L583-F634 HydrophobicContact CD1-CE1 4.09Å; L583-F634 HydrophobicContact CD1-CE2 4.35Å; L583-F634 HydrophobicContact CD1-CZ 4Å; L583-F634 HydrophobicContact CD2-CD1 4.48Å; L583-F634 HydrophobicContact CD2-CG 4.4Å; L583-I636 HydrophobicContact CD2-CD1 4.01Å
584T92.8Very high83.6Confident11 Ų1154.9 Ų54.97%0.06729%0.294CS..EExtended strand (participates in β ladder)trans-122135.1-179.6-61.70000110.8T586 I595 R598 V617 T618T584-T586 HydrophobicContact CG2-CG2 4.36Å; T584-I595 HydrophobicContact CG2-CG2 4.3Å; T584-R598 HydrophobicContact CG2-CG 3.96Å; T584-V617 WeakPolarHBondContact O-CA 3.4Å; T584-T618 PolarHBondContact N-O 2.77Å; T584-T618 PolarHBondContact O-N 2.8Å
585F94.2Very high83.6Confident0 Ų057.1 Ų57.10%031%0.305CS..EExtended strand (participates in β ladder)trans-110126.4174.8-61.2-84.9000110.1L570 V572 L583 I595 L596 G597 Y599 F606 L608 V617 I636L570-F585 HydrophobicContact CD1-CD1 3.33Å; L570-F585 HydrophobicContact CD1-CE1 3.6Å; L570-F585 HydrophobicContact CD1-CG 4.29Å; V572-F585 HydrophobicContact CG2-CZ 4Å; L583-F585 HydrophobicContact CD2-CE1 4.5Å; L583-F585 HydrophobicContact CD2-CE2 3.79Å; L583-F585 HydrophobicContact CD2-CZ 3.57Å; L583-F585 HydrophobicContact CG-CE2 4.06Å; L583-F585 HydrophobicContact CG-CZ 4.09Å; F585-I595 CarbonylContact O-C 3.58Å; F585-I595 WeakPolarHBondContact O-CA 3.12Å; F585-L596 HydrophobicContact CB-CB 4.18Å; F585-L596 PolarHBondContact O-N 2.73Å; F585-G597 PolarHBondContact N-O 3.12Å; F585-Y599 AromaticContact CD2-CD2 3.68Å; F585-Y599 HydrophobicContact CD2-CD2 3.68Å; F585-Y599 AromaticContact CD2-CE2 3.57Å; F585-Y599 HydrophobicContact CD2-CE2 3.57Å; F585-Y599 AromaticContact CE2-CD2 3.6Å; F585-Y599 HydrophobicContact CE2-CD2 3.6Å; F585-Y599 AromaticContact CE2-CE2 3.71Å; F585-Y599 HydrophobicContact CE2-CE2 3.71Å; F585-F606 HydrophobicContact CE2-CZ 4.38Å; F585-L608 HydrophobicContact CB-CD1 4.24Å; F585-L608 HydrophobicContact CD1-CD1 4.48Å; F585-L608 HydrophobicContact CD2-CD1 3.92Å; F585-L608 HydrophobicContact CE2-CD1 4.35Å; F585-L608 HydrophobicContact CG-CD1 3.97Å; F585-V617 HydrophobicContact CD1-CG1 4.1Å; F585-V617 HydrophobicContact CD1-CG2 3.93Å; F585-V617 HydrophobicContact CE1-CG1 3.96Å; F585-V617 HydrophobicContact CE1-CG2 4.15Å; F585-I636 HydrophobicContact CE1-CD1 4.01Å; F585-I636 HydrophobicContact CE1-CG2 4.48Å; F585-I636 HydrophobicContact CZ-CD1 4.04Å
586T92.6Very high83.4Confident20 Ų2059.3 Ų59.312%0.12332%0.317CS..EExtended strand (participates in β ladder)trans-128.5118.3-177.227.60000111.3T584 R594 I595 L615 T616T584-T586 HydrophobicContact CG2-CG2 4.36Å; T586-R594 CarbonylContact C-O 3.56Å; T586-R594 WeakPolarHBondContact CA-O 3.27Å; T586-I595 HydrophobicContact CG2-CB 4.43Å; T586-I595 HydrophobicContact CG2-CG1 3.75Å; T586-L615 CarbonylContact O-C 3.55Å; T586-L615 WeakPolarHBondContact O-CA 3.44Å; T586-T616 PolarHBondContact N-O 3.22Å; T586-T616 PolarHBondContact O-N 2.97Å; T586-T616 PolarHBondContact OG1-O 3.37Å
587D89.8Confident83.3Confident3 Ų357.6 Ų57.62%0.01631%0.311CS..EExtended strand (participates in β ladder)trans-91.9132.4175.516519.9000109R594 L596 S610 S611 T612D587-R594 PolarHBondContact N-O 2.83Å; D587-R594 PolarHBondContact O-N 2.88Å; D587-L596 HydrophobicContact CB-CD1 3.97Å; D587-L596 HydrophobicContact CB-CD2 3.68Å; D587-L596 HydrophobicContact CB-CG 3.68Å; D587-S610 VanDerWaalsContact CG-OG 3.3Å; D587-S610 PolarHBondContact OD1-OG 2.77Å; D587-S611 VanDerWaalsContact CG-N 3.3Å; D587-S611 PolarHBondContact OD1-N 2.84Å; D587-S611 PolarHBondContact OD1-OG 2.89Å; D587-S611 VanDerWaalsContact OD2-CB 3.29Å; D587-S611 WeakPolarHBondContact OD2-CB 3.39Å; D587-S611 PolarHBondContact OD2-N 3.33Å; D587-S611 PolarHBondContact OD2-OG 2.85Å; D587-T612 WeakPolarHBondContact OD1-CB 3.29Å; D587-T612 WeakPolarHBondContact OD1-CG2 3.31Å; D587-T612 PolarHBondContact OD1-N 3.4Å; D587-T612 PolarHBondContact OD1-OG1 2.9Å
588G82.1Confident83.5Confident2 Ų264.9 Ų64.92%0.02134%0.338CS..SBendtrans115.5161.5-178.700000113.9T612 D614G588-T612 VanDerWaalsContact CA-OG1 3.25Å; G588-T612 WeakPolarHBondContact CA-OG1 3.48Å; G588-T612 PolarHBondContact N-OG1 3.09Å; G588-D614 PolarHBondContact N-O 2.93Å
589D72.4Confident83.8Confident62 Ų6266.2 Ų66.233%0.33234%0.339SS..  trans-71.2175.6172.977.9-42.5000111.7V591 T592 T593D589-V591 PolarHBondContact O-N 2.97Å; D589-V591 PolarHBondContact OD1-N 2.81Å; D589-V591 WeakPolarHBondContact OD2-CB 3.29Å; D589-V591 WeakPolarHBondContact OD2-CG2 3.47Å; D589-V591 PolarHBondContact OD2-N 3.13Å; D589-T592 PolarHBondContact O-N 2.96Å; D589-T592 VanDerWaalsContact O-N 3.15Å; D589-T592 WeakPolarHBondContact OD1-CA 3.49Å; D589-T592 VanDerWaalsContact OD1-CB 3.28Å; D589-T592 WeakPolarHBondContact OD1-CB 3.42Å; D589-T592 PolarHBondContact OD1-N 2.91Å; D589-T592 PolarHBondContact OD1-OG1 2.93Å; D589-T593 WeakPolarHBondContact O-CG2 3.36Å; D589-T593 PolarHBondContact O-N 2.84Å
590E66.6Low84.2Confident193 Ų19363.2 Ų63.290%0.90233%0.326SS*.THydrogen-bonded Turntrans-57-18.5179.1-163.6175.7-16300113.3
591V63.5Low84.3Confident125 Ų12560.2 Ų60.276%0.75831%0.305SS*.THydrogen-bonded Turntrans-96.5-31.8179.4-169.40000113.5D589D589-V591 PolarHBondContact O-N 2.97Å; D589-V591 PolarHBondContact OD1-N 2.81Å; D589-V591 WeakPolarHBondContact OD2-CB 3.29Å; D589-V591 WeakPolarHBondContact OD2-CG2 3.47Å; D589-V591 PolarHBondContact OD2-N 3.13Å
592T69Low84Confident91 Ų9162.5 Ų62.556%0.55833%0.331SS*.THydrogen-bonded Turntrans-118.422-171.467.20000115.4D589 R594D589-T592 PolarHBondContact O-N 2.96Å; D589-T592 VanDerWaalsContact O-N 3.15Å; D589-T592 WeakPolarHBondContact OD1-CA 3.49Å; D589-T592 VanDerWaalsContact OD1-CB 3.28Å; D589-T592 WeakPolarHBondContact OD1-CB 3.42Å; D589-T592 PolarHBondContact OD1-N 2.91Å; D589-T592 PolarHBondContact OD1-OG1 2.93Å; T592-R594 PolarHBondContact O-N 3.15Å
593T79.1Confident83.6Confident88 Ų8862.2 Ų62.254%0.5433%0.334SS..  trans-44.9131.2179.961.30000115.6D589D589-T593 WeakPolarHBondContact O-CG2 3.36Å; D589-T593 PolarHBondContact O-N 2.84Å
594R84.6Confident82.8Confident158 Ų15866.8 Ų66.860%0.59637%0.366SS*.EExtended strand (participates in β ladder)trans-130.5124.2171.8177.4-174.8175.4-172.2-1.4109.5T586 D587 T592 L596T586-R594 CarbonylContact C-O 3.56Å; T586-R594 WeakPolarHBondContact CA-O 3.27Å; D587-R594 PolarHBondContact N-O 2.83Å; D587-R594 PolarHBondContact O-N 2.88Å; T592-R594 PolarHBondContact O-N 3.15Å; R594-L596 PolarHBondContact O-N 2.76Å
595I87.9Confident82.5Confident97 Ų9770.8 Ų70.850%0.49739%0.392SS..EExtended strand (participates in β ladder)trans-68.3122.1172.4-60.5172.8000109.2T584 F585 T586 R598T584-I595 HydrophobicContact CG2-CG2 4.3Å; F585-I595 CarbonylContact O-C 3.58Å; F585-I595 WeakPolarHBondContact O-CA 3.12Å; T586-I595 HydrophobicContact CG2-CB 4.43Å; T586-I595 HydrophobicContact CG2-CG1 3.75Å; I595-R598 HydrophobicContact CG2-CG 3.88Å
596L86.7Confident82.1Confident50 Ų5072.7 Ų72.726%0.26240%0.4SS..EExtended strand (participates in β ladder)trans-79.7-39.7169.8-65.6-176.9000111.1F585 D587 R594 L615F585-L596 HydrophobicContact CB-CB 4.18Å; F585-L596 PolarHBondContact O-N 2.73Å; D587-L596 HydrophobicContact CB-CD1 3.97Å; D587-L596 HydrophobicContact CB-CD2 3.68Å; D587-L596 HydrophobicContact CB-CG 3.68Å; R594-L596 PolarHBondContact O-N 2.76Å; L596-L615 HydrophobicContact CD1-CD1 3.97Å
597G84.6Confident81.7Confident14 Ų1478 Ų7814%0.14442%0.421CS..EExtended strand (participates in β ladder)trans-172.1160.2178.700000112.5F585F585-G597 PolarHBondContact N-O 3.12Å
598R91.6Very high81.5Confident157 Ų15779.3 Ų79.359%0.59243%0.428SS*.EExtended strand (participates in β ladder)trans-129.7133.1171.2-58.6176.381.5-156.813.8107.1M582 L583 T584 I595M582-R598 PolarHBondContact SD-NE 2.78Å; M582-R598 VanDerWaalsContact SD-NE 3.42Å; M582-R598 PolarHBondContact SD-NH2 2.86Å; L583-R598 WeakPolarHBondContact O-CA 3.13Å; T584-R598 HydrophobicContact CG2-CG 3.96Å; I595-R598 HydrophobicContact CG2-CG 3.88Å
599Y90.1Very high81.7Confident56 Ų5681.8 Ų81.822%0.2245%0.445CS..EExtended strand (participates in β ladder)trans-130144.4-171.8-62-98.5000109.5L575 L583 F585 F606 L608L575-Y599 HydrophobicContact CD2-CD1 4.09Å; L575-Y599 HydrophobicContact CD2-CG 3.92Å; L583-Y599 PolarHBondContact N-O 3.07Å; L583-Y599 PolarHBondContact O-N 2.92Å; F585-Y599 AromaticContact CD2-CD2 3.68Å; F585-Y599 HydrophobicContact CD2-CD2 3.68Å; F585-Y599 AromaticContact CD2-CE2 3.57Å; F585-Y599 HydrophobicContact CD2-CE2 3.57Å; F585-Y599 AromaticContact CE2-CD2 3.6Å; F585-Y599 HydrophobicContact CE2-CD2 3.6Å; F585-Y599 AromaticContact CE2-CE2 3.71Å; F585-Y599 HydrophobicContact CE2-CE2 3.71Å; Y599-F606 AromaticContact CD1-CE1 3.94Å; Y599-F606 HydrophobicContact CD1-CE1 3.94Å; Y599-F606 AromaticContact CD1-CZ 3.81Å; Y599-F606 HydrophobicContact CD1-CZ 3.81Å; Y599-F606 HydrophobicContact CD2-CZ 4.33Å; Y599-F606 HydrophobicContact CE1-CD1 4.39Å; Y599-F606 AromaticContact CE1-CE1 3.55Å; Y599-F606 HydrophobicContact CE1-CE1 3.55Å; Y599-F606 AromaticContact CE1-CE2 3.95Å; Y599-F606 HydrophobicContact CE1-CE2 3.95Å; Y599-F606 AromaticContact CE1-CZ 3.29Å; Y599-F606 HydrophobicContact CE1-CZ 3.29Å; Y599-F606 HydrophobicContact CE2-CE2 4.2Å; Y599-F606 AromaticContact CE2-CZ 3.9Å; Y599-F606 HydrophobicContact CE2-CZ 3.9Å; Y599-F606 HydrophobicContact CG-CZ 4.3Å; Y599-F606 AromaticContact CZ-CE2 3.6Å; Y599-F606 AromaticContact CZ-CZ 3.35Å; Y599-F606 WeakPolarHBondContact OH-CE2 3.48Å; Y599-L608 HydrophobicContact CE2-CD1 4.39Å
600V89.3Confident82.5Confident74 Ų7479 Ų7945%0.44843%0.431SS..  trans-143.3156.3178.6-55.80000106.7D581 M582D581-V600 WeakPolarHBondContact O-CG1 3.43Å; M582-V600 HydrophobicContact CB-CG1 4.41Å; M582-V600 HydrophobicContact CE-CG1 3.99Å; M582-V600 HydrophobicContact CG-CG1 4.23Å
601G83.5Confident83.2Confident3 Ų372.6 Ų72.63%0.03141%0.408CS..SBendtrans67.7-156.6179.600000114.4I577 S578 D579I577-G601 WeakPolarHBondContact CG1-O 2.98Å; I577-G601 PolarHBondContact N-O 2.94Å; I577-G601 VanDerWaalsContact N-O 3.09Å; I577-G601 CarbonylContact O-C 3.48Å; I577-G601 VanDerWaalsContact O-C 3.22Å; I577-G601 WeakPolarHBondContact O-CA 3.39Å; S578-G601 PolarHBondContact O-N 3.2Å; D579-G601 VanDerWaalsContact OD1-CA 3.29Å; D579-G601 WeakPolarHBondContact OD1-CA 3.23Å
602G80.8Confident84.3Confident56 Ų5668.3 Ų68.358%0.57738%0.382SS*.EExtended strand (participates in β ladder)trans-95.7142.2176.600000114.1L575L575-G602 WeakPolarHBondContact O-CA 3.49Å
603S81Confident85.2Confident47 Ų4764.9 Ų64.933%0.32936%0.361SS..EExtended strand (participates in β ladder)trans-143.5151.5176.960.20000113.5L575L575-S603 PolarHBondContact O-N 2.84Å
604S77.1Confident85.7Confident95 Ų9562.9 Ų62.966%0.66435%0.347SS*.  trans-69.3149174.7540000111.6F606S604-F606 WeakPolarHBondContact O-CD1 3.01Å; S604-F606 PolarHBondContact O-N 2.75Å
605P86.3Confident86.1Confident96 Ų9655.4 Ų55.462%0.62332%0.319SS*.  trans-53136.7-178.1-26.634.5000113.9V572 Q573V572-P605 VanDerWaalsContact O-CA 3.23Å; V572-P605 WeakPolarHBondContact O-CA 3.38Å; V572-P605 WeakPolarHBondContact O-CB 3.37Å; Q573-P605 WeakPolarHBondContact O-CG 3.4Å
606F85.4Confident86.4Confident40 Ų4052.2 Ų52.218%0.17530%0.304CS..EExtended strand (participates in β ladder)trans-148.4165.3-176.665.7-97.7000112.7V572 L575 F585 Y599 S604 L608V572-F606 HydrophobicContact CB-CD1 4.37Å; V572-F606 HydrophobicContact CB-CD2 4.24Å; V572-F606 HydrophobicContact CB-CE1 4.17Å; V572-F606 HydrophobicContact CB-CE2 4.02Å; V572-F606 HydrophobicContact CB-CG 4.4Å; V572-F606 HydrophobicContact CB-CZ 3.97Å; V572-F606 WeakPolarHBondContact CB-O 3.41Å; V572-F606 HydrophobicContact CG1-CE1 4Å; V572-F606 HydrophobicContact CG1-CZ 4Å; V572-F606 HydrophobicContact CG2-CD2 4.09Å; V572-F606 HydrophobicContact CG2-CE1 4.46Å; V572-F606 HydrophobicContact CG2-CE2 3.56Å; V572-F606 HydrophobicContact CG2-CZ 3.77Å; V572-F606 PolarHBondContact N-O 3.03Å; V572-F606 PolarHBondContact O-N 2.99Å; V572-F606 VanDerWaalsContact O-N 3.13Å; L575-F606 HydrophobicContact CD2-CE1 4Å; L575-F606 HydrophobicContact CD2-CZ 4.08Å; F585-F606 HydrophobicContact CE2-CZ 4.38Å; Y599-F606 AromaticContact CD1-CE1 3.94Å; Y599-F606 HydrophobicContact CD1-CE1 3.94Å; Y599-F606 AromaticContact CD1-CZ 3.81Å; Y599-F606 HydrophobicContact CD1-CZ 3.81Å; Y599-F606 HydrophobicContact CD2-CZ 4.33Å; Y599-F606 HydrophobicContact CE1-CD1 4.39Å; Y599-F606 AromaticContact CE1-CE1 3.55Å; Y599-F606 HydrophobicContact CE1-CE1 3.55Å; Y599-F606 AromaticContact CE1-CE2 3.95Å; Y599-F606 HydrophobicContact CE1-CE2 3.95Å; Y599-F606 AromaticContact CE1-CZ 3.29Å; Y599-F606 HydrophobicContact CE1-CZ 3.29Å; Y599-F606 HydrophobicContact CE2-CE2 4.2Å; Y599-F606 AromaticContact CE2-CZ 3.9Å; Y599-F606 HydrophobicContact CE2-CZ 3.9Å; Y599-F606 HydrophobicContact CG-CZ 4.3Å; Y599-F606 AromaticContact CZ-CE2 3.6Å; Y599-F606 AromaticContact CZ-CZ 3.35Å; Y599-F606 WeakPolarHBondContact OH-CE2 3.48Å; S604-F606 WeakPolarHBondContact O-CD1 3.01Å; S604-F606 PolarHBondContact O-N 2.75Å; F606-L608 HydrophobicContact CD2-CD2 4.31Å; F606-L608 HydrophobicContact CD2-CG 3.99Å; F606-L608 HydrophobicContact CE2-CD1 3.85Å; F606-L608 HydrophobicContact CE2-CD2 4.35Å; F606-L608 HydrophobicContact CE2-CG 3.81Å
607K84.6Confident86.7Confident130 Ų13049.8 Ų49.857%0.56529%0.291SS*.EExtended strand (participates in β ladder)trans-122.9141.4179.3-49.6-164.2-167.2-116.80111.8L570 D571L570-K607 CarbonylContact O-C 3.57Å; L570-K607 WeakPolarHBondContact O-CA 3.33Å; L570-K607 WeakPolarHBondContact O-CB 3.27Å; D571-K607 WeakPolarHBondContact OD1-CD 3.48Å; D571-K607 WeakPolarHBondContact OD1-CE 3.12Å; D571-K607 WeakPolarHBondContact OD1-CG 3.39Å; D571-K607 IonicContact OD1-NZ 3.62Å; D571-K607 PolarHBondContact OD1-NZ 3.29Å; D571-K607 IonicContact OD2-NZ 2.77Å; D571-K607 PolarHBondContact OD2-NZ 2.68Å
608L85.5Confident87.2Confident31 Ų3150.4 Ų50.416%0.16229%0.292CS..EExtended strand (participates in β ladder)trans-126142.7176.6-63.9178.3000110.2L569 L570 F585 Y599 F606L569-L608 WeakPolarHBondContact CD1-O 3.45Å; L570-L608 HydrophobicContact CB-CB 4.34Å; L570-L608 PolarHBondContact N-O 3.24Å; L570-L608 PolarHBondContact O-N 3.37Å; F585-L608 HydrophobicContact CB-CD1 4.24Å; F585-L608 HydrophobicContact CD1-CD1 4.48Å; F585-L608 HydrophobicContact CD2-CD1 3.92Å; F585-L608 HydrophobicContact CE2-CD1 4.35Å; F585-L608 HydrophobicContact CG-CD1 3.97Å; Y599-L608 HydrophobicContact CE2-CD1 4.39Å; F606-L608 HydrophobicContact CD2-CD2 4.31Å; F606-L608 HydrophobicContact CD2-CG 3.99Å; F606-L608 HydrophobicContact CE2-CD1 3.85Å; F606-L608 HydrophobicContact CE2-CD2 4.35Å; F606-L608 HydrophobicContact CE2-CG 3.81Å
609S86.1Confident87.3Confident54 Ų5442.9 Ų42.938%0.37826%0.264SS..EExtended strand (participates in β ladder)trans-112.9132.3173.2-67.50000111.1L569L569-S609 VanDerWaalsContact CD1-OG 3.29Å; L569-S609 WeakPolarHBondContact CD1-OG 3.37Å
610S88.8Confident87.3Confident3 Ų343.8 Ų43.82%0.02127%0.27CS..  trans-69158166.5-153.20000111.6R567 V568 D587 T612R567-S610 WeakPolarHBondContact CD-O 3.34Å; V568-S610 WeakPolarHBondContact O-CB 3.47Å; V568-S610 PolarHBondContact O-N 3.22Å; D587-S610 VanDerWaalsContact CG-OG 3.3Å; D587-S610 PolarHBondContact OD1-OG 2.77Å; S610-T612 WeakPolarHBondContact CB-O 3.25Å; S610-T612 PolarHBondContact OG-O 3.42Å
611S82.8Confident87.3Confident60 Ų6040.8 Ų40.842%0.4225%0.252SS..SBendtrans-102.8-17167.669.80000113.5D587D587-S611 VanDerWaalsContact CG-N 3.3Å; D587-S611 PolarHBondContact OD1-N 2.84Å; D587-S611 PolarHBondContact OD1-OG 2.89Å; D587-S611 VanDerWaalsContact OD2-CB 3.29Å; D587-S611 WeakPolarHBondContact OD2-CB 3.39Å; D587-S611 PolarHBondContact OD2-N 3.33Å; D587-S611 PolarHBondContact OD2-OG 2.85Å
612T85Confident87.2Confident34 Ų3442.6 Ų42.621%0.20926%0.261CS..SBendtrans-114.3165.917565.30000111.8D587 G588 S610 D614D587-T612 WeakPolarHBondContact OD1-CB 3.29Å; D587-T612 WeakPolarHBondContact OD1-CG2 3.31Å; D587-T612 PolarHBondContact OD1-N 3.4Å; D587-T612 PolarHBondContact OD1-OG1 2.9Å; G588-T612 VanDerWaalsContact CA-OG1 3.25Å; G588-T612 WeakPolarHBondContact CA-OG1 3.48Å; G588-T612 PolarHBondContact N-OG1 3.09Å; S610-T612 WeakPolarHBondContact CB-O 3.25Å; S610-T612 PolarHBondContact OG-O 3.42Å; T612-D614 PolarHBondContact O-N 2.68Å; T612-D614 PolarHBondContact OG1-O 3Å
613P88.1Confident86.7Confident19 Ų1945.4 Ų45.412%0.12327%0.269CS..SBendtrans-69.2-19.6172.327.4-35.8000113.8V562V562-P613 HydrophobicContact CG2-CB 4.15Å; V562-P613 WeakPolarHBondContact CG2-O 3.39Å; V562-P613 PolarHBondContact N-O 2.86Å; V562-P613 WeakPolarHBondContact O-CB 3.48Å
614D90.6Very high85.8Confident46 Ų4646.7 Ų46.725%0.24628%0.283CS..EExtended strand (participates in β ladder)trans-98.1132.6-179.1-58-61.7000111.4I560 H561 G588 T612I560-D614 WeakPolarHBondContact O-CA 3.36Å; H561-D614 IonicContact CE1-OD1 3.62Å; H561-D614 IonicContact CG-OD1 3.5Å; H561-D614 IonicContact ND1-OD1 3.65Å; H561-D614 PolarHBondContact ND1-OD1 3.05Å; G588-D614 PolarHBondContact N-O 2.93Å; T612-D614 PolarHBondContact O-N 2.68Å; T612-D614 PolarHBondContact OG1-O 3Å
615L92.5Very high84.7Confident1 Ų143.4 Ų43.41%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-142123.1173.3-168.4155.1000110.1I560 V568 L570 T586 L596 V617I560-L615 WeakPolarHBondContact CA-O 2.99Å; I560-L615 WeakPolarHBondContact CB-O 3.31Å; I560-L615 HydrophobicContact CD1-CD2 4.17Å; I560-L615 PolarHBondContact N-O 2.98Å; I560-L615 PolarHBondContact O-N 3.31Å; V568-L615 HydrophobicContact CB-CB 4.23Å; V568-L615 HydrophobicContact CB-CD1 4.23Å; V568-L615 HydrophobicContact CG1-CD1 4.44Å; V568-L615 HydrophobicContact CG2-CB 3.99Å; L570-L615 HydrophobicContact CD1-CD1 3.79Å; L570-L615 HydrophobicContact CD1-CD2 3.85Å; L570-L615 HydrophobicContact CD2-CD2 4.45Å; L570-L615 HydrophobicContact CG-CD1 4.1Å; T586-L615 CarbonylContact O-C 3.55Å; T586-L615 WeakPolarHBondContact O-CA 3.44Å; L596-L615 HydrophobicContact CD1-CD1 3.97Å; L615-V617 HydrophobicContact CD2-CG2 3.61Å
616T93.5Very high82.9Confident30 Ų3046.1 Ų46.118%0.18427%0.272CS..EExtended strand (participates in β ladder)trans-100.7131.6172.8-57.20000110.5S557 W558 R559 T586 T618S557-T616 WeakPolarHBondContact OG-CG2 3.48Å; W558-T616 WeakPolarHBondContact O-CA 3.41Å; R559-T616 HydrophobicContact CG-CG2 4.1Å; T586-T616 PolarHBondContact N-O 3.22Å; T586-T616 PolarHBondContact O-N 2.97Å; T586-T616 PolarHBondContact OG1-O 3.37Å; T616-T618 HydrophobicContact CG2-CG2 3.96Å
617V94.4Very high81Confident0 Ų050.1 Ų50.10%030%0.3CS..EExtended strand (participates in β ladder)trans-107.2126.9169.5-172.70000107.6I541 S557 W558 I560 L583 T584 F585 L615 I636I541-V617 HydrophobicContact CD1-CG2 4.13Å; S557-V617 WeakPolarHBondContact CA-O 3.4Å; W558-V617 HydrophobicContact CE3-CB 4.4Å; W558-V617 HydrophobicContact CE3-CG1 4.4Å; W558-V617 PolarHBondContact N-O 2.77Å; W558-V617 PolarHBondContact O-N 2.85Å; I560-V617 HydrophobicContact CD1-CG2 4.34Å; L583-V617 HydrophobicContact CD1-CG1 3.75Å; T584-V617 WeakPolarHBondContact O-CA 3.4Å; F585-V617 HydrophobicContact CD1-CG1 4.1Å; F585-V617 HydrophobicContact CD1-CG2 3.93Å; F585-V617 HydrophobicContact CE1-CG1 3.96Å; F585-V617 HydrophobicContact CE1-CG2 4.15Å; L615-V617 HydrophobicContact CD2-CG2 3.61Å; V617-I636 HydrophobicContact CG1-CD1 4.31Å
618T93.8Very high79.1Confident26 Ų2653.1 Ų53.116%0.1631%0.313CS..EExtended strand (participates in β ladder)trans-118.9137.9172.174.50000111.6C556 L583 T584 T616 H620C556-T618 CarbonylContact O-C 3.53Å; C556-T618 VanDerWaalsContact O-CA 3.25Å; C556-T618 WeakPolarHBondContact O-CA 3.48Å; L583-T618 CarbonylContact C-O 3.58Å; L583-T618 WeakPolarHBondContact CA-O 3.43Å; T584-T618 PolarHBondContact N-O 2.77Å; T584-T618 PolarHBondContact O-N 2.8Å; T616-T618 HydrophobicContact CG2-CG2 3.96Å; T618-H620 PolarHBondContact OG1-NE2 3.37Å
619F93.9Very high77.4Confident0 Ų054.3 Ų54.30%033%0.333CS..EExtended strand (participates in β ladder)trans-123.4130.3173.6175.2-112.3000109.1P544 Y550 C556 W558 I577 D581 M582 L583 F634P544-F619 HydrophobicContact CG-CD1 4.48Å; Y550-F619 HydrophobicContact CD1-CZ 4.49Å; Y550-F619 AromaticContact CD2-CE1 3.97Å; Y550-F619 HydrophobicContact CD2-CE1 3.97Å; Y550-F619 AromaticContact CD2-CZ 3.78Å; Y550-F619 HydrophobicContact CD2-CZ 3.78Å; Y550-F619 HydrophobicContact CE1-CZ 4.48Å; Y550-F619 HydrophobicContact CE2-CE1 4.42Å; Y550-F619 AromaticContact CE2-CZ 3.78Å; Y550-F619 HydrophobicContact CE2-CZ 3.78Å; Y550-F619 HydrophobicContact CG-CE1 4.19Å; Y550-F619 HydrophobicContact CG-CZ 4.15Å; C556-F619 HydrophobicContact CB-CB 4.4Å; C556-F619 PolarHBondContact N-O 3.37Å; C556-F619 PolarHBondContact O-N 2.75Å; W558-F619 HydrophobicContact CH2-CB 4.28Å; W558-F619 HydrophobicContact CZ3-CB 3.84Å; I577-F619 HydrophobicContact CB-CE2 4.49Å; I577-F619 HydrophobicContact CD1-CE2 4.37Å; I577-F619 HydrophobicContact CG2-CE2 3.95Å; D581-F619 HydrophobicContact CB-CE2 4.08Å; D581-F619 HydrophobicContact CB-CZ 4.34Å; M582-F619 WeakPolarHBondContact O-CA 3.42Å; M582-F619 WeakPolarHBondContact O-CD2 3.34Å; L583-F619 HydrophobicContact CB-CD2 4.44Å; L583-F619 HydrophobicContact CD1-CB 3.95Å; L583-F619 HydrophobicContact CD1-CD2 4.32Å; F619-F634 HydrophobicContact CB-CE1 4.13Å; F619-F634 HydrophobicContact CB-CZ 4Å; F619-F634 HydrophobicContact CD1-CE1 4.11Å; F619-F634 HydrophobicContact CD1-CZ 4.42Å; F619-F634 HydrophobicContact CD2-CD1 4.48Å; F619-F634 AromaticContact CD2-CE1 3.61Å; F619-F634 HydrophobicContact CD2-CE1 3.61Å; F619-F634 HydrophobicContact CD2-CZ 4.34Å; F619-F634 HydrophobicContact CE1-CE1 4.44Å; F619-F634 AromaticContact CE2-CE1 3.99Å; F619-F634 HydrophobicContact CE2-CE1 3.99Å; F619-F634 AromaticContact CG-CE1 3.67Å; F619-F634 HydrophobicContact CG-CE1 3.67Å; F619-F634 HydrophobicContact CG-CZ 4Å; F619-F634 HydrophobicContact CZ-CE1 4.38Å
620H90.9Very high76.1Confident75 Ų7555.8 Ų55.835%0.34733%0.332SS..EExtended strand (participates in β ladder)trans-127.3119.2175.2-44.8-73.5000107.8E554 D555 M582 T618E554-H620 WeakPolarHBondContact O-CA 3.38Å; D555-H620 IonicContact OD1-CE1 3.74Å; D555-H620 PolarHBondContact OD1-CE1 2.9Å; D555-H620 IonicContact OD1-ND1 3.68Å; D555-H620 PolarHBondContact OD1-ND1 2.85Å; M582-H620 PolarHBondContact N-O 2.92Å; M582-H620 PolarHBondContact O-N 2.84Å; T618-H620 PolarHBondContact OG1-NE2 3.37Å
621S88.3Confident74.8Confident11 Ų1155.9 Ų55.98%0.07733%0.334CS..  trans-95.6155.2170.6670000111.7G551 G553 E554 D581G551-S621 PolarHBondContact O-OG 3.45Å; G553-S621 PolarHBondContact N-OG 3.34Å; G553-S621 VanDerWaalsContact N-OG 3.15Å; E554-S621 PolarHBondContact N-OG 3.38Å; E554-S621 PolarHBondContact O-N 3.1Å; D581-S621 WeakPolarHBondContact OD1-CA 3.28Å; D581-S621 VanDerWaalsContact OD1-CB 3.27Å; D581-S621 WeakPolarHBondContact OD1-CB 3.49Å
622D81.3Confident74.4Confident40 Ų4058.3 Ų58.321%0.21434%0.339CS..  trans-72142.2179.291.950.3000111.9G553 S580 D581 A624 G625G553-D622 PolarHBondContact N-O 2.97Å; S580-D622 WeakPolarHBondContact CB-OD2 3.5Å; S580-D622 PolarHBondContact OG-OD2 3.38Å; D581-D622 PolarHBondContact OD1-N 2.96Å; D622-A624 VanDerWaalsContact C-N 3.29Å; D622-A624 VanDerWaalsContact OD1-CA 3.3Å; D622-A624 WeakPolarHBondContact OD1-CA 3.27Å; D622-A624 WeakPolarHBondContact OD1-CB 3.16Å; D622-A624 PolarHBondContact OD1-N 2.85Å; D622-G625 PolarHBondContact OD1-N 2.95Å
623P71.2Confident74.4Confident116 Ų11656.7 Ų56.775%0.75333%0.329SS*.SBendtrans-93.723.1175.538.4-37.1000112.3
624A62.6Low74.6Confident74 Ų7455.8 Ų55.861%0.61232%0.323SS*.SBendtrans-120.6-15.7-169.800000113.9D622 L626D622-A624 VanDerWaalsContact C-N 3.29Å; D622-A624 VanDerWaalsContact OD1-CA 3.3Å; D622-A624 WeakPolarHBondContact OD1-CA 3.27Å; D622-A624 WeakPolarHBondContact OD1-CB 3.16Å; D622-A624 PolarHBondContact OD1-N 2.85Å; A624-L626 PolarHBondContact O-N 2.93Å
625G53.2Low74.7Confident26 Ų2655.4 Ų55.427%0.26832%0.321SS..  trans56.346.5148.700000115.8D622 V627D622-G625 PolarHBondContact OD1-N 2.95Å; G625-V627 PolarHBondContact O-N 3.39Å
626L48.5Very low74.8Confident152 Ų15255.3 Ų55.380%0.79632%0.32SS*.  trans-75.547.4-176.4-86.5177.5000115.2A624 F628A624-L626 PolarHBondContact O-N 2.93Å; L626-F628 WeakPolarHBondContact O-CD2 3.42Å; L626-F628 PolarHBondContact O-N 2.56Å
627V46.2Very low74.8Confident124 Ų12456 Ų5675%0.75232%0.322SS*.SBendtrans58.3-13.2155.4-176.60000118.4G625G625-V627 PolarHBondContact O-N 3.39Å
628F43.4Very low74.8Confident194 Ų19456.6 Ų56.685%0.85133%0.325SS*.SBendtrans-127.890.9-171.2-64.9-75.4000111L626L626-F628 WeakPolarHBondContact O-CD2 3.42Å; L626-F628 PolarHBondContact O-N 2.56Å
629G50.3Low74.6Confident56 Ų5658.7 Ų58.758%0.57734%0.335SS*.  trans95.678.2169.500000114.7
630K59.2Low74.5Confident84 Ų8462 Ų6237%0.36535%0.35SS..  trans-66.4138.9148.7-61.2-167.7176.7-1660107.5W549 Y550 E552W549-K630 HydrophobicContact CB-CD 4.13Å; W549-K630 HydrophobicContact CD2-CB 4.45Å; W549-K630 HydrophobicContact CE3-CB 3.79Å; W549-K630 HydrophobicContact CZ3-CB 4.45Å; W549-K630 VanDerWaalsContact CZ3-O 3.24Å; W549-K630 WeakPolarHBondContact CZ3-O 3.4Å; Y550-K630 PolarHBondContact O-NZ 3.36Å; E552-K630 WeakPolarHBondContact OE1-CE 3.29Å; E552-K630 IonicContact OE1-NZ 2.64Å; E552-K630 PolarHBondContact OE1-NZ 2.82Å
631G61.5Low74.1Confident6 Ų660.3 Ų60.36%0.06235%0.345CS..  trans-74.1154.817300000110.8W549 Y550 N576 G633W549-G631 VanDerWaalsContact CE3-O 3.22Å; W549-G631 WeakPolarHBondContact CZ3-O 3.41Å; Y550-G631 VanDerWaalsContact CE1-O 3.23Å; Y550-G631 WeakPolarHBondContact CE1-O 3.31Å; Y550-G631 PolarHBondContact OH-N 3.47Å; Y550-G631 VanDerWaalsContact OH-N 3.16Å; N576-G631 CarbonylContact O-C 3.55Å; N576-G631 WeakPolarHBondContact O-CA 3.47Å; G631-G633 PolarHBondContact O-N 3.22Å; G631-G633 VanDerWaalsContact O-N 3.07Å
632E73.6Confident73.5Confident111 Ų11163.5 Ų63.552%0.51937%0.367SS..  trans-59.1-21.5-178.7-66.7172137.700113.2W546 W549 N576W546-E632 VanDerWaalsContact CZ3-O 3.23Å; W546-E632 WeakPolarHBondContact CZ3-O 3.14Å; W549-E632 HydrophobicContact CH2-CG 4.19Å; W549-E632 HydrophobicContact CZ3-CB 4.48Å; W549-E632 HydrophobicContact CZ3-CG 4.2Å; N576-E632 HydrophobicContact CB-CB 4.25Å; N576-E632 WeakPolarHBondContact ND2-CG 3.38Å; N576-E632 PolarHBondContact ND2-OE2 3.5Å; N576-E632 PolarHBondContact O-N 3.15Å
633G86.1Confident72.9Confident0 Ų067.2 Ų67.20%038%0.378CS..EExtended strand (participates in β ladder)trans119.5-152.5176.400000112.5S543 N576 G631S543-G633 WeakPolarHBondContact OG-CA 3.36Å; N576-G633 CarbonylContact C-O 3.45Å; N576-G633 PolarHBondContact N-O 3.43Å; N576-G633 PolarHBondContact O-N 2.96Å; G631-G633 PolarHBondContact O-N 3.22Å; G631-G633 VanDerWaalsContact O-N 3.07Å
634F91.4Very high72.5Confident0 Ų065.4 Ų65.40%036%0.362CS..EExtended strand (participates in β ladder)trans-147150.6175.555.3-98.5000113I541 L542 S543 W558 L574 L575 I577 L583 F619 I636I541-F634 HydrophobicContact CG2-CE2 4.28Å; L542-F634 WeakPolarHBondContact CA-O 3.15Å; S543-F634 PolarHBondContact N-O 3.43Å; S543-F634 VanDerWaalsContact N-O 3.13Å; S543-F634 PolarHBondContact OG-N 3.38Å; W558-F634 HydrophobicContact CH2-CE2 4.2Å; W558-F634 AromaticContact CH2-CZ 3.79Å; W558-F634 HydrophobicContact CH2-CZ 3.79Å; W558-F634 HydrophobicContact CZ3-CE2 4.33Å; W558-F634 AromaticContact CZ3-CZ 3.97Å; W558-F634 HydrophobicContact CZ3-CZ 3.97Å; L574-F634 CarbonylContact O-C 3.57Å; L574-F634 VanDerWaalsContact O-CA 3.23Å; L574-F634 WeakPolarHBondContact O-CA 3.31Å; L574-F634 WeakPolarHBondContact O-CB 3.08Å; L575-F634 HydrophobicContact CD1-CB 3.85Å; L575-F634 HydrophobicContact CD1-CD1 4.49Å; I577-F634 HydrophobicContact CG2-CD1 3.95Å; L583-F634 HydrophobicContact CD1-CD1 4.48Å; L583-F634 HydrophobicContact CD1-CE1 4.09Å; L583-F634 HydrophobicContact CD1-CE2 4.35Å; L583-F634 HydrophobicContact CD1-CZ 4Å; L583-F634 HydrophobicContact CD2-CD1 4.48Å; L583-F634 HydrophobicContact CD2-CG 4.4Å; F619-F634 HydrophobicContact CB-CE1 4.13Å; F619-F634 HydrophobicContact CB-CZ 4Å; F619-F634 HydrophobicContact CD1-CE1 4.11Å; F619-F634 HydrophobicContact CD1-CZ 4.42Å; F619-F634 HydrophobicContact CD2-CD1 4.48Å; F619-F634 AromaticContact CD2-CE1 3.61Å; F619-F634 HydrophobicContact CD2-CE1 3.61Å; F619-F634 HydrophobicContact CD2-CZ 4.34Å; F619-F634 HydrophobicContact CE1-CE1 4.44Å; F619-F634 AromaticContact CE2-CE1 3.99Å; F619-F634 HydrophobicContact CE2-CE1 3.99Å; F619-F634 AromaticContact CG-CE1 3.67Å; F619-F634 HydrophobicContact CG-CE1 3.67Å; F619-F634 HydrophobicContact CG-CZ 4Å; F619-F634 HydrophobicContact CZ-CE1 4.38Å; F634-I636 HydrophobicContact CD2-CD1 3.54Å; F634-I636 HydrophobicContact CD2-CG1 4.03Å; F634-I636 HydrophobicContact CE2-CD1 3.93Å; F634-I636 HydrophobicContact CG-CD1 4.37Å
635I92.6Very high72.4Confident37 Ų3763.8 Ų63.819%0.1934%0.343CS..EExtended strand (participates in β ladder)trans-129.5115.8174.2-54172.9000107.4V540 L542 W546 Q573 L574V540-I635 HydrophobicContact CG1-CG2 4.08Å; L542-I635 HydrophobicContact CD2-CB 4.35Å; L542-I635 HydrophobicContact CD2-CG1 4.04Å; L542-I635 HydrophobicContact CD2-CG2 4.04Å; W546-I635 HydrophobicContact CH2-CD1 3.83Å; W546-I635 HydrophobicContact CH2-CG1 4Å; W546-I635 HydrophobicContact CZ2-CD1 3.58Å; W546-I635 HydrophobicContact CZ2-CG1 3.95Å; W546-I635 HydrophobicContact CZ3-CG1 4.31Å; Q573-I635 HydrophobicContact CB-CB 4.49Å; Q573-I635 HydrophobicContact CB-CG2 4.41Å; Q573-I635 PolarHBondContact N-O 2.93Å; L574-I635 HydrophobicContact CB-CB 4.11Å; L574-I635 HydrophobicContact CB-CD1 4.15Å; L574-I635 HydrophobicContact CB-CG1 4.04Å; L574-I635 HydrophobicContact CD2-CD1 4.25Å; L574-I635 HydrophobicContact CD2-CG1 4.32Å; L574-I635 PolarHBondContact N-O 2.89Å; L574-I635 PolarHBondContact O-N 2.77Å
636I94.3Very high73.1Confident0 Ų064.4 Ų64.40%034%0.343CS..EExtended strand (participates in β ladder)trans-125.3108.4-177.7-53158.6000107.6I541 L570 V572 L583 F585 V617 F634I541-I636 HydrophobicContact CB-CB 4.32Å; I541-I636 PolarHBondContact N-O 3.43Å; I541-I636 PolarHBondContact O-N 3.45Å; L570-I636 HydrophobicContact CB-CG2 4.3Å; L570-I636 HydrophobicContact CD2-CG2 4.14Å; V572-I636 HydrophobicContact CG1-CG1 4.45Å; V572-I636 HydrophobicContact CG2-CG1 4.35Å; V572-I636 HydrophobicContact CG2-CG2 4.28Å; L583-I636 HydrophobicContact CD2-CD1 4.01Å; F585-I636 HydrophobicContact CE1-CD1 4.01Å; F585-I636 HydrophobicContact CE1-CG2 4.48Å; F585-I636 HydrophobicContact CZ-CD1 4.04Å; V617-I636 HydrophobicContact CG1-CD1 4.31Å; F634-I636 HydrophobicContact CD2-CD1 3.54Å; F634-I636 HydrophobicContact CD2-CG1 4.03Å; F634-I636 HydrophobicContact CE2-CD1 3.93Å; F634-I636 HydrophobicContact CG-CD1 4.37Å
637N94.3Very high74.3Confident43 Ų4357.4 Ų57.423%0.2331%0.307CS..EExtended strand (participates in β ladder)trans-85.2131.3170-179.633.7000108.6G539 D571G539-N637 PolarHBondContact O-OD1 2.6Å; G539-N637 VanDerWaalsContact O-OD1 3.13Å; D571-N637 HydrophobicContact CB-CB 4.29Å; D571-N637 PolarHBondContact N-O 2.97Å; D571-N637 PolarHBondContact O-N 3.18Å
638Y94.2Very high75.7Confident13 Ų1355.5 Ų55.55%0.05130%0.297CS..EExtended strand (participates in β ladder)trans-113.7141.5172.778.1-91.5000110L534 G538 G539 I541 I560 V568 L569L534-Y638 HydrophobicContact CB-CE1 4.37Å; L534-Y638 HydrophobicContact CD1-CE1 3.99Å; G538-Y638 CarbonylContact C-O 3.52Å; G538-Y638 WeakPolarHBondContact CA-O 3.16Å; G539-Y638 VanDerWaalsContact C-CD1 3.49Å; G539-Y638 VanDerWaalsContact C-CE1 3.46Å; G539-Y638 VanDerWaalsContact CA-CE1 3.44Å; G539-Y638 PolarHBondContact N-O 2.86Å; G539-Y638 WeakPolarHBondContact O-CD1 3.43Å; G539-Y638 PolarHBondContact O-N 3.29Å; I541-Y638 HydrophobicContact CD1-CD1 4.39Å; I541-Y638 HydrophobicContact CG1-CD1 4.23Å; I560-Y638 HydrophobicContact CD1-CD1 4.21Å; I560-Y638 HydrophobicContact CD1-CD2 4.41Å; I560-Y638 HydrophobicContact CD1-CG 3.97Å; I560-Y638 HydrophobicContact CG2-CD2 3.61Å; I560-Y638 HydrophobicContact CG2-CE2 3.66Å; I560-Y638 HydrophobicContact CG2-CG 4.22Å; V568-Y638 HydrophobicContact CG1-CD2 4.47Å; L569-Y638 WeakPolarHBondContact O-CA 3.01Å
639I90.4Very high77.2Confident71 Ų7151 Ų5136%0.36428%0.282SS..EExtended strand (participates in β ladder)trans-136.1147.9173.763.8175.2000110.6L569 V641L569-I639 HydrophobicContact CB-CG1 4Å; L569-I639 HydrophobicContact CD2-CD1 4.02Å; L569-I639 HydrophobicContact CD2-CG1 4.16Å; L569-I639 PolarHBondContact N-O 2.84Å; L569-I639 PolarHBondContact O-N 2.82Å; I639-V641 HydrophobicContact CD1-CG2 4.25Å; I639-V641 HydrophobicContact CG1-CG2 4.04Å
640E90.4Very high78.7Confident70 Ų7049.5 Ų49.533%0.32726%0.261SS..EExtended strand (participates in β ladder)trans-68.9135.9165.771.5161.3-13400109.9P537 V562 K566P537-E640 HydrophobicContact CB-CG 3.82Å; P537-E640 WeakPolarHBondContact O-CG 3.23Å; P537-E640 PolarHBondContact O-N 3.01Å; V562-E640 HydrophobicContact CB-CB 4.17Å; V562-E640 HydrophobicContact CG1-CB 3.88Å; K566-E640 HydrophobicContact CB-CB 4.42Å; K566-E640 IonicContact NZ-OE1 2.7Å; K566-E640 PolarHBondContact NZ-OE1 3.32Å; K566-E640 IonicContact NZ-OE2 2.73Å
641V83.9Confident79.5Confident38 Ų3849.7 Ų49.723%0.2327%0.27CS..EExtended strand (participates in β ladder)trans-127147.9169.9-175.20000107.5K566 R567 L569 I639 R643K566-V641 WeakPolarHBondContact CA-O 3.41Å; R567-V641 HydrophobicContact CG-CB 4.44Å; R567-V641 PolarHBondContact N-O 2.87Å; R567-V641 PolarHBondContact O-N 2.84Å; L569-V641 HydrophobicContact CB-CG2 3.47Å; L569-V641 VanDerWaalsContact CB-CG2 3.47Å; L569-V641 HydrophobicContact CD2-CG2 4.16Å; L569-V641 HydrophobicContact CG-CG2 4.41Å; I639-V641 HydrophobicContact CD1-CG2 4.25Å; I639-V641 HydrophobicContact CG1-CG2 4.04Å; V641-R643 PolarHBondContact O-N 3.48Å
642S75.7Confident80.5Confident79 Ų7957 Ų5755%0.55230%0.303SS*.EExtended strand (participates in β ladder)trans-54.4138.8168.546.40000110.3R567 N644R567-S642 PolarHBondContact NE-O 2.03Å; R567-S642 VanDerWaalsContact NE-O 3.09Å; S642-N644 PolarHBondContact O-N 3Å
643R67.9Low81Confident118 Ų11852.8 Ų52.845%0.44528%0.284SS..  trans-61.4108.2171.1-167.8175.6-165.8-109.212.1107.7D565 V641 D645D565-R643 WeakPolarHBondContact O-CB 3.24Å; D565-R643 PolarHBondContact O-N 2.83Å; V641-R643 PolarHBondContact O-N 3.48Å; R643-D645 IonicContact CZ-OD2 3.54Å; R643-D645 IonicContact NH1-OD1 2.85Å; R643-D645 PolarHBondContact NH1-OD1 2.83Å; R643-D645 IonicContact NH1-OD2 3.87Å; R643-D645 PolarHBondContact NH1-OD2 3.23Å; R643-D645 PolarHBondContact O-N 3.25Å
644N62.8Low80.8Confident77 Ų7760.5 Ų60.541%0.41232%0.32SS..  trans-78.175.9-172.6-173.654.8000110.8S642 S646 L693S642-N644 PolarHBondContact O-N 3Å; N644-S646 PolarHBondContact ND2-O 2.61Å; N644-S646 VanDerWaalsContact ND2-O 3.13Å; N644-S646 PolarHBondContact O-N 3.27Å; N644-L693 WeakPolarHBondContact O-CD1 3.45Å
645D61.1Low80.5Confident41 Ų4163.6 Ų63.622%0.21934%0.336CS..  trans-8515.9173.9-72.1-31.2000112.4R643 V666 R667 L693R643-D645 IonicContact CZ-OD2 3.54Å; R643-D645 IonicContact NH1-OD1 2.85Å; R643-D645 PolarHBondContact NH1-OD1 2.83Å; R643-D645 IonicContact NH1-OD2 3.87Å; R643-D645 PolarHBondContact NH1-OD2 3.23Å; R643-D645 PolarHBondContact O-N 3.25Å; D645-V666 VanDerWaalsContact O-CA 3.24Å; D645-V666 WeakPolarHBondContact O-CA 3.28Å; D645-R667 PolarHBondContact O-N 3.36Å; D645-R667 IonicContact OD1-CZ 3.67Å; D645-R667 IonicContact OD1-NH1 2.71Å; D645-R667 PolarHBondContact OD1-NH1 3.06Å; D645-R667 IonicContact OD1-NH2 3.71Å; D645-R667 PolarHBondContact OD1-NH2 3.42Å; D645-R667 IonicContact OD2-NH1 2.64Å; D645-L693 VanDerWaalsContact C-CD2 3.49Å; D645-L693 WeakPolarHBondContact O-CD2 3.3Å
646S67.3Low80.2Confident38 Ų3862.6 Ų62.627%0.26634%0.335SS..BIsolated β-bridgetrans-105.2134.5179.1-58.90000112.6N644 L665N644-S646 PolarHBondContact ND2-O 2.61Å; N644-S646 VanDerWaalsContact ND2-O 3.13Å; N644-S646 PolarHBondContact O-N 3.27Å; S646-L665 CarbonylContact C-O 3.59Å; S646-L665 WeakPolarHBondContact CA-O 3.29Å
647C73.3Confident79.8Confident6 Ų668.5 Ų68.54%0.04136%0.358CS..PPolyproline II helixtrans-67.2154.1165.6-780000111.2L665 C689 L693 W695C647-L665 PolarHBondContact N-O 3.11Å; C647-C689 HydrophobicContact CB-CB 3.87Å; C647-C689 WeakPolarHBondContact CB-SG 3.46Å; C647-C689 WeakPolarHBondContact SG-CA 3.46Å; C647-C689 WeakPolarHBondContact SG-CB 3.31Å; C647-C689 CovalentContact SG-SG 2.03Å; C647-C689 PolarHBondContact SG-SG 3.43Å; C647-L693 PolarHBondContact SG-O 3.04Å; C647-W695 HydrophobicContact CB-CD2 4.43Å; C647-W695 HydrophobicContact CB-CH2 4.43Å; C647-W695 HydrophobicContact CB-CZ2 3.67Å
648P75.7Confident79.6Confident83 Ų8368.5 Ų68.554%0.53936%0.356SS..PPolyproline II helixtrans-62.4145.817427.4-35.3000111.2W695P648-W695 PolarHBondContact O-NE1 2.79Å
649D76.2Confident79.3Confident101 Ų10170.6 Ų70.654%0.5437%0.37SS..PPolyproline II helixtrans-71.5147.9173.9-165.724.2000111.4K658 L665D649-K658 IonicContact OD1-NZ 3.96Å; D649-K658 PolarHBondContact OD1-NZ 2.84Å; D649-K658 IonicContact OD2-NZ 2.7Å; D649-K658 PolarHBondContact OD2-NZ 3Å; D649-L665 HydrophobicContact CB-CD1 3.65Å
650L81Confident78.9Confident23 Ų2370.2 Ų70.212%0.1237%0.371CS..PPolyproline II helixtrans-103.1145.2179.6-63.5178.1000110.1K658 I671 Y673 L687 W695 P699L650-K658 PolarHBondContact O-NZ 2.94Å; L650-I671 HydrophobicContact CD1-CD1 4.23Å; L650-Y673 VanDerWaalsContact CB-OH 3.23Å; L650-Y673 WeakPolarHBondContact CB-OH 3.32Å; L650-L687 HydrophobicContact CD1-CD1 4.15Å; L650-W695 HydrophobicContact CD1-CD2 3.98Å; L650-W695 HydrophobicContact CD1-CG 3.94Å; L650-W695 HydrophobicContact CD2-CG 4.38Å; L650-W695 HydrophobicContact CG-CD2 4.5Å; L650-W695 HydrophobicContact CG-CG 4.36Å; L650-P699 HydrophobicContact CD1-CG 4.33Å; L650-P699 HydrophobicContact CD2-CG 4.19Å
651P75.9Confident78.5Confident88 Ų8870.1 Ų70.157%0.57138%0.378SS*.PPolyproline II helixtrans-61.9159.8178.626.7-35.1000112.5Y673P651-Y673 PolarHBondContact O-OH 2.81Å
652E81.6Confident77.9Confident159 Ų15973.2 Ų73.274%0.74339%0.39SS*.PPolyproline II helixtrans-71.1154164.9-60.9-173.1158.900110.2
653I85.2Confident77.6Confident23 Ų2377 Ų7712%0.11841%0.409CS..  trans-108.9143-17561.6171.4000110.8G656 Y673 P700 C702I653-G656 PolarHBondContact O-N 2.92Å; I653-G656 VanDerWaalsContact O-O 3.09Å; I653-Y673 HydrophobicContact CD1-CD1 3.59Å; I653-Y673 HydrophobicContact CD1-CE1 4.39Å; I653-Y673 HydrophobicContact CD1-CG 4.28Å; I653-Y673 HydrophobicContact CG1-CD1 3.88Å; I653-Y673 HydrophobicContact CG1-CE1 4.29Å; I653-Y673 HydrophobicContact CG2-CD1 4.01Å; I653-Y673 HydrophobicContact CG2-CE1 3.73Å; I653-P700 WeakPolarHBondContact CG2-O 3.18Å; I653-C702 VanDerWaalsContact CD1-SG 3.58Å
654Q82Confident77.4Confident162 Ų16273.9 Ų73.976%0.75741%0.409SS*.THydrogen-bonded Turntrans-69.7132.1-179.6-66.6-65.7-23.600110.9G656Q654-G656 VanDerWaalsContact C-N 3.34Å
655N84.1Confident78Confident65 Ų6571.5 Ų71.535%0.34840%0.396SS..THydrogen-bonded Turntrans59.539.8-174.5-39.1-83.3000113.2D676 Y679 C702N655-D676 VanDerWaalsContact CA-OD2 3.27Å; N655-D676 WeakPolarHBondContact CA-OD2 3.43Å; N655-D676 PolarHBondContact O-N 2.77Å; N655-Y679 HydrophobicContact CB-CD1 3.78Å; N655-Y679 HydrophobicContact CB-CD2 3.95Å; N655-Y679 HydrophobicContact CB-CE1 3.68Å; N655-Y679 HydrophobicContact CB-CE2 3.88Å; N655-Y679 HydrophobicContact CB-CG 3.94Å; N655-Y679 PolarHBondContact OD1-OH 3.29Å; N655-C702 PolarHBondContact O-SG 3.15Å; N655-C702 VanDerWaalsContact O-SG 3.42Å
656G86.1Confident78.9Confident16 Ų1672 Ų7217%0.16540%0.4CS..EExtended strand (participates in β ladder)trans-170.3-177.317600000112.5I653 Q654 Q674 D676I653-G656 PolarHBondContact O-N 2.92Å; I653-G656 VanDerWaalsContact O-O 3.09Å; Q654-G656 VanDerWaalsContact C-N 3.34Å; G656-Q674 CarbonylContact C-O 3.56Å; G656-Q674 WeakPolarHBondContact CA-O 3.44Å; G656-D676 PolarHBondContact N-OD2 2.8Å
657W87.1Confident79.2Confident124 Ų12474.8 Ų74.847%0.4741%0.405SS..EExtended strand (participates in β ladder)trans-146.3158.8-175.563.2-73.3000112.3T659 Y673 Q674W657-T659 WeakPolarHBondContact CH2-OG1 3.48Å; W657-T659 WeakPolarHBondContact CZ3-OG1 3.01Å; W657-Y673 WeakPolarHBondContact O-CA 3.36Å; W657-Q674 HydrophobicContact CZ2-CB 4.41Å; W657-Q674 PolarHBondContact N-O 2.81Å; W657-Q674 PolarHBondContact O-N 3.46Å
658K88.7Confident79.3Confident44 Ų4477.1 Ų77.119%0.19143%0.43CS..EExtended strand (participates in β ladder)trans-112.3138.6178.372.7177.5-178.4176.40111.6D649 L650 I671 Y673D649-K658 IonicContact OD1-NZ 3.96Å; D649-K658 PolarHBondContact OD1-NZ 2.84Å; D649-K658 IonicContact OD2-NZ 2.7Å; D649-K658 PolarHBondContact OD2-NZ 3Å; L650-K658 PolarHBondContact O-NZ 2.94Å; K658-I671 HydrophobicContact CB-CG2 3.91Å; K658-Y673 HydrophobicContact CB-CD1 3.83Å; K658-Y673 HydrophobicContact CB-CE1 3.62Å; K658-Y673 HydrophobicContact CB-CG 4.49Å
659T88.5Confident79.6Confident57 Ų5773.2 Ų73.235%0.3541%0.405SS..EExtended strand (participates in β ladder)trans-112.5130.6167.6-49.80000109.5W657 I671 T672W657-T659 WeakPolarHBondContact CH2-OG1 3.48Å; W657-T659 WeakPolarHBondContact CZ3-OG1 3.01Å; T659-I671 CarbonylContact O-C 3.49Å; T659-I671 WeakPolarHBondContact O-CA 3.15Å; T659-T672 PolarHBondContact N-O 2.81Å; T659-T672 PolarHBondContact O-N 2.03Å
660T83.5Confident80.2Confident62 Ų6274.4 Ų74.438%0.3840%0.402SS..EExtended strand (participates in β ladder)trans-95.4145.8169.5690000110.8H662 L665 R670 I671T660-H662 WeakPolarHBondContact CB-O 3.02Å; T660-H662 PolarHBondContact OG1-O 3.44Å; T660-L665 HydrophobicContact CG2-CD2 4.06Å; T660-R670 CarbonylContact C-O 3.59Å; T660-I671 HydrophobicContact CG2-CG1 4.3Å
661S80.6Confident80.5Confident68 Ų6873.3 Ų73.348%0.47640%0.396SS..SBendtrans-83.6-14.317566.50000114.1R670S661-R670 PolarHBondContact N-O 2.92Å; S661-R670 WeakPolarHBondContact OG-CB 3.46Å; S661-R670 PolarHBondContact OG-N 2.64Å; S661-R670 PolarHBondContact OG-O 2.86Å
662H72.1Confident81.2Confident103 Ų10370.8 Ų70.848%0.47738%0.379SS..SBendtrans-140.2155.4-178.3-66.474000109.5T660 A664 A669T660-H662 WeakPolarHBondContact CB-O 3.02Å; T660-H662 PolarHBondContact OG1-O 3.44Å; H662-A664 WeakPolarHBondContact CB-O 3.44Å; H662-A669 HydrophobicContact CB-CB 4.39Å
663V68.7Low81.7Confident160 Ų16063.4 Ų63.497%0.9734%0.344SS*.SBendtrans-73.3-30.9177.9-177.90000111.8
664A64.1Low82Confident52 Ų5266.6 Ų66.643%0.4336%0.359SS..SBendtrans-108.2141.617100000110.2H662 V666H662-A664 WeakPolarHBondContact CB-O 3.44Å; A664-V666 HydrophobicContact CB-CG1 4.05Å; A664-V666 PolarHBondContact O-N 3.35Å
665L76.1Confident82.4Confident26 Ų2660.2 Ų60.214%0.13633%0.332CS..  trans-81.844.1-174-62.2176.7000113.1S646 C647 D649 T660 I671 W695S646-L665 CarbonylContact C-O 3.59Å; S646-L665 WeakPolarHBondContact CA-O 3.29Å; C647-L665 PolarHBondContact N-O 3.11Å; D649-L665 HydrophobicContact CB-CD1 3.65Å; T660-L665 HydrophobicContact CG2-CD2 4.06Å; L665-I671 HydrophobicContact CD2-CD1 4.19Å; L665-I671 HydrophobicContact CD2-CG1 4.45Å; L665-W695 HydrophobicContact CD2-CH2 4.39Å; L665-W695 HydrophobicContact CD2-CZ2 4.41Å
666V78.3Confident82.6Confident53 Ų5360.5 Ų60.532%0.32133%0.333SS..BIsolated β-bridgetrans-72.8167.8-173.2-63.40000113.8D645 A664 G668 A669 C689D645-V666 VanDerWaalsContact O-CA 3.24Å; D645-V666 WeakPolarHBondContact O-CA 3.28Å; A664-V666 HydrophobicContact CB-CG1 4.05Å; A664-V666 PolarHBondContact O-N 3.35Å; V666-G668 PolarHBondContact O-N 3.09Å; V666-A669 WeakPolarHBondContact O-CA 3.29Å; V666-A669 WeakPolarHBondContact O-CB 3.45Å; V666-A669 PolarHBondContact O-N 2.83Å; V666-C689 WeakPolarHBondContact O-CB 3.42Å
667R74.2Confident82.5Confident95 Ų9564.9 Ų64.936%0.35836%0.359SS..THydrogen-bonded Turntrans-46129.9174-65.4-171.1-171.184.113.1112.1D645 A669 L691 L693D645-R667 PolarHBondContact O-N 3.36Å; D645-R667 IonicContact OD1-CZ 3.67Å; D645-R667 IonicContact OD1-NH1 2.71Å; D645-R667 PolarHBondContact OD1-NH1 3.06Å; D645-R667 IonicContact OD1-NH2 3.71Å; D645-R667 PolarHBondContact OD1-NH2 3.42Å; D645-R667 IonicContact OD2-NH1 2.64Å; R667-A669 VanDerWaalsContact C-N 3.25Å; R667-A669 PolarHBondContact O-N 3.04Å; R667-L691 PolarHBondContact NE-O 2.94Å; R667-L693 HydrophobicContact CG-CD2 3.64Å
668G74.9Confident82Confident55 Ų5559.4 Ų59.457%0.56734%0.341SS*.THydrogen-bonded Turntrans80.7-7.6-175.900000115.3V666 C689V666-G668 PolarHBondContact O-N 3.09Å; G668-C689 PolarHBondContact N-O 3.4Å
669A82Confident81.9Confident2 Ų260.6 Ų60.62%0.01735%0.345CS..  trans-59.4150.1167.900000110.5H662 V666 R667 T688 C689H662-A669 HydrophobicContact CB-CB 4.39Å; V666-A669 WeakPolarHBondContact O-CA 3.29Å; V666-A669 WeakPolarHBondContact O-CB 3.45Å; V666-A669 PolarHBondContact O-N 2.83Å; R667-A669 VanDerWaalsContact C-N 3.25Å; R667-A669 PolarHBondContact O-N 3.04Å; A669-T688 WeakPolarHBondContact O-CA 3.34Å; A669-C689 PolarHBondContact O-N 2.88Å
670R88.6Confident81.8Confident126 Ų12661.5 Ų61.548%0.47535%0.347SS..EExtended strand (participates in β ladder)trans-128.5134-172.7-175.7-177.1-67.6-156.11.8109.4T660 S661 T686 L687 T688T660-R670 CarbonylContact C-O 3.59Å; S661-R670 PolarHBondContact N-O 2.92Å; S661-R670 WeakPolarHBondContact OG-CB 3.46Å; S661-R670 PolarHBondContact OG-N 2.64Å; S661-R670 PolarHBondContact OG-O 2.86Å; R670-T686 HydrophobicContact CG-CG2 3.6Å; R670-L687 CarbonylContact C-O 3.59Å; R670-L687 VanDerWaalsContact CA-O 3.27Å; R670-L687 WeakPolarHBondContact CA-O 3.09Å; R670-L687 WeakPolarHBondContact CG-O 3.07Å; R670-T688 HydrophobicContact CB-CG2 4.39Å; R670-T688 HydrophobicContact CG-CG2 4.18Å
671I88.8Confident82Confident0 Ų060.4 Ų60.40%034%0.339CS..EExtended strand (participates in β ladder)trans-109.6131167.7-56.6-179.5000107.2L650 K658 T659 T660 L665 Y673 L687 W695L650-I671 HydrophobicContact CD1-CD1 4.23Å; K658-I671 HydrophobicContact CB-CG2 3.91Å; T659-I671 CarbonylContact O-C 3.49Å; T659-I671 WeakPolarHBondContact O-CA 3.15Å; T660-I671 HydrophobicContact CG2-CG1 4.3Å; L665-I671 HydrophobicContact CD2-CD1 4.19Å; L665-I671 HydrophobicContact CD2-CG1 4.45Å; I671-Y673 HydrophobicContact CB-CE2 4.31Å; I671-Y673 HydrophobicContact CG2-CD2 3.89Å; I671-Y673 HydrophobicContact CG2-CE2 3.46Å; I671-Y673 VanDerWaalsContact CG2-CE2 3.46Å; I671-L687 HydrophobicContact CB-CB 4.48Å; I671-L687 PolarHBondContact N-O 2.84Å; I671-L687 PolarHBondContact O-N 3.14Å; I671-W695 HydrophobicContact CD1-CH2 3.48Å; I671-W695 VanDerWaalsContact CD1-CH2 3.48Å; I671-W695 HydrophobicContact CD1-CZ2 3.58Å; I671-W695 HydrophobicContact CD1-CZ3 4.1Å; I671-W695 HydrophobicContact CG1-CH2 3.59Å; I671-W695 HydrophobicContact CG1-CZ2 4.23Å; I671-W695 HydrophobicContact CG1-CZ3 3.94Å
672T90.8Very high82.4Confident35 Ų3559.7 Ų59.722%0.21533%0.331CS..EExtended strand (participates in β ladder)trans-118.4124.4173.3-63.80000108.7T659 E685 T686T659-T672 PolarHBondContact N-O 2.81Å; T659-T672 PolarHBondContact O-N 2.03Å; T672-E685 CarbonylContact C-O 3.59Å; T672-E685 VanDerWaalsContact CA-O 3.31Å; T672-E685 WeakPolarHBondContact CA-O 3.27Å; T672-T686 PolarHBondContact OG1-OG1 3.29Å
673Y91.4Very high83Confident3 Ų357.6 Ų57.61%0.01234%0.338CS..EExtended strand (participates in β ladder)trans-99.4145.3-180-74.8-89.2000110.6L650 P651 I653 W657 K658 I671 L681 E685 L687 P700L650-Y673 VanDerWaalsContact CB-OH 3.23Å; L650-Y673 WeakPolarHBondContact CB-OH 3.32Å; P651-Y673 PolarHBondContact O-OH 2.81Å; I653-Y673 HydrophobicContact CD1-CD1 3.59Å; I653-Y673 HydrophobicContact CD1-CE1 4.39Å; I653-Y673 HydrophobicContact CD1-CG 4.28Å; I653-Y673 HydrophobicContact CG1-CD1 3.88Å; I653-Y673 HydrophobicContact CG1-CE1 4.29Å; I653-Y673 HydrophobicContact CG2-CD1 4.01Å; I653-Y673 HydrophobicContact CG2-CE1 3.73Å; W657-Y673 WeakPolarHBondContact O-CA 3.36Å; K658-Y673 HydrophobicContact CB-CD1 3.83Å; K658-Y673 HydrophobicContact CB-CE1 3.62Å; K658-Y673 HydrophobicContact CB-CG 4.49Å; I671-Y673 HydrophobicContact CB-CE2 4.31Å; I671-Y673 HydrophobicContact CG2-CD2 3.89Å; I671-Y673 HydrophobicContact CG2-CE2 3.46Å; I671-Y673 VanDerWaalsContact CG2-CE2 3.46Å; Y673-L681 WeakPolarHBondContact O-CD1 3.31Å; Y673-E685 PolarHBondContact N-O 2.79Å; Y673-L687 HydrophobicContact CD2-CD1 3.87Å; Y673-L687 HydrophobicContact CE2-CD1 3.54Å; Y673-P700 HydrophobicContact CD1-CG 4.44Å; Y673-P700 HydrophobicContact CD2-CG 3.94Å; Y673-P700 HydrophobicContact CG-CG 3.77Å
674Q90.4Very high83.9Confident91 Ų9157.5 Ų57.543%0.42532%0.32SS..EExtended strand (participates in β ladder)trans-140.8144176.2-63.8-178.727.500109.6G656 W657G656-Q674 CarbonylContact C-O 3.56Å; G656-Q674 WeakPolarHBondContact CA-O 3.44Å; W657-Q674 HydrophobicContact CZ2-CB 4.41Å; W657-Q674 PolarHBondContact N-O 2.81Å; W657-Q674 PolarHBondContact O-N 3.46Å
675C90.7Very high85.1Confident27 Ų2760.9 Ų60.918%0.18233%0.327CS..EExtended strand (participates in β ladder)trans-94.9156.4178.8-62.80000112.2C702C675-C702 WeakPolarHBondContact CA-SG 3.35Å; C675-C702 HydrophobicContact CB-CB 3.78Å; C675-C702 WeakPolarHBondContact CB-SG 3.43Å; C675-C702 VanDerWaalsContact SG-CA 3.51Å; C675-C702 WeakPolarHBondContact SG-CB 3.43Å; C675-C702 CovalentContact SG-SG 2.03Å; C675-C702 PolarHBondContact SG-SG 2.99Å
676D88.6Confident85.7Confident71 Ų7161 Ų6138%0.3833%0.329SS..  trans-70.9153.4178.7-73.5-39.1000112.3N655 G656 G678 Y679N655-D676 VanDerWaalsContact CA-OD2 3.27Å; N655-D676 WeakPolarHBondContact CA-OD2 3.43Å; N655-D676 PolarHBondContact O-N 2.77Å; G656-D676 PolarHBondContact N-OD2 2.8Å; D676-G678 PolarHBondContact O-N 2.79Å; D676-Y679 HydrophobicContact CB-CD2 4.41Å; D676-Y679 PolarHBondContact O-N 2.79Å
677P83.5Confident86.2Confident109 Ų10958.5 Ų58.571%0.70831%0.314SS*.THydrogen-bonded Turntrans-57.7112.2-176.2-2635.4000112.9G756P677-G756 WeakPolarHBondContact O-CA 3.18Å
678G77.7Confident86.8Confident8 Ų856.1 Ų56.18%0.08231%0.31CS..THydrogen-bonded Turntrans116.7-6.7-174.200000114.2D676 I705D676-G678 PolarHBondContact O-N 2.79Å; G678-I705 WeakPolarHBondContact O-CB 3.27Å; G678-I705 PolarHBondContact O-N 2.99Å
679Y86.6Confident87.3Confident70 Ų7053.8 Ų53.828%0.27529%0.285SS..EExtended strand (participates in β ladder)trans-115.6153.1174.7-63.6-105.8000110.9N655 D676 C702 E703 K704N655-Y679 HydrophobicContact CB-CD1 3.78Å; N655-Y679 HydrophobicContact CB-CD2 3.95Å; N655-Y679 HydrophobicContact CB-CE1 3.68Å; N655-Y679 HydrophobicContact CB-CE2 3.88Å; N655-Y679 HydrophobicContact CB-CG 3.94Å; N655-Y679 PolarHBondContact OD1-OH 3.29Å; D676-Y679 HydrophobicContact CB-CD2 4.41Å; D676-Y679 PolarHBondContact O-N 2.79Å; Y679-C702 HydrophobicContact CD1-CB 4.34Å; Y679-E703 CarbonylContact C-O 3.18Å; Y679-E703 WeakPolarHBondContact CA-O 3.43Å; Y679-E703 WeakPolarHBondContact CB-O 3.28Å; Y679-K704 HydrophobicContact CD1-CB 4.1Å; Y679-K704 HydrophobicContact CE1-CB 3.9Å; Y679-K704 HydrophobicContact CE1-CG 4.43Å
680D86Confident87Confident75 Ų7557.9 Ų57.940%0.40130%0.304SS..EExtended strand (participates in β ladder)trans-116.9152.7175.8-156.2-5.8000110.6C702 E703 I705D680-C702 CarbonylContact O-C 3.52Å; D680-C702 WeakPolarHBondContact O-CA 3.29Å; D680-E703 PolarHBondContact N-O 2.96Å; D680-E703 PolarHBondContact O-N 2.81Å; D680-I705 HydrophobicContact CB-CD1 4.08Å; D680-I705 HydrophobicContact CB-CG1 3.84Å
681L88.4Confident85.9Confident40 Ų4059.2 Ų59.221%0.20932%0.319CS..EExtended strand (participates in β ladder)trans-96.2110.3-169.8-170144.3000111.8Y673 E685 P700Y673-L681 WeakPolarHBondContact O-CD1 3.31Å; L681-E685 HydrophobicContact CD2-CB 4.2Å; L681-P700 HydrophobicContact CD1-CB 4.39Å; L681-P700 HydrophobicContact CD1-CG 4.18Å; L681-P700 HydrophobicContact CD2-CB 3.61Å; L681-P700 HydrophobicContact CD2-CG 4.1Å; L681-P700 HydrophobicContact CG-CB 3.93Å; L681-P700 HydrophobicContact CG-CG 4.27Å
682V88.2Confident84.8Confident52 Ų5264.3 Ų64.332%0.31535%0.346SS..EExtended strand (participates in β ladder)trans-94.8103.6178.1-1710000109.5P700 F701 E703V682-P700 VanDerWaalsContact O-CA 3.3Å; V682-P700 WeakPolarHBondContact O-CA 3.1Å; V682-P700 WeakPolarHBondContact O-CB 3.32Å; V682-F701 HydrophobicContact CB-CD1 4.32Å; V682-F701 HydrophobicContact CB-CD2 4.08Å; V682-F701 HydrophobicContact CB-CE1 3.97Å; V682-F701 HydrophobicContact CB-CE2 3.7Å; V682-F701 HydrophobicContact CB-CG 4.38Å; V682-F701 HydrophobicContact CB-CZ 3.64Å; V682-F701 HydrophobicContact CG1-CE1 3.79Å; V682-F701 HydrophobicContact CG1-CE2 4.04Å; V682-F701 HydrophobicContact CG1-CZ 3.49Å; V682-F701 VanDerWaalsContact CG1-CZ 3.49Å; V682-F701 HydrophobicContact CG2-CD2 4.35Å; V682-F701 HydrophobicContact CG2-CE2 3.84Å; V682-F701 HydrophobicContact CG2-CZ 4.16Å; V682-F701 PolarHBondContact N-O 3.12Å; V682-F701 PolarHBondContact O-N 3.01Å; V682-E703 HydrophobicContact CG2-CB 4.09Å; V682-E703 HydrophobicContact CG2-CG 3.7Å
683G85.9Confident83.8Confident60 Ų6064.6 Ų64.662%0.61935%0.347SS*.SBendtrans140.6-148.3176.600000112.7
684R86.9Confident83.1Confident158 Ų15866.4 Ų66.460%0.59636%0.36SS*.  trans-93.8119.2168.5-69.9-168.7-177.8-1111.9109.9T686 S697 P700R684-T686 PolarHBondContact O-N 3.1Å; R684-S697 WeakPolarHBondContact CD-OG 3.3Å; R684-P700 WeakPolarHBondContact O-CG 3.5Å
685E88.1Confident82.8Confident122 Ų12263.4 Ų63.457%0.5734%0.344SS*.SBendtrans-53.8-34168.747.6133.5-104.500113.4T672 Y673 L681T672-E685 CarbonylContact C-O 3.59Å; T672-E685 VanDerWaalsContact CA-O 3.31Å; T672-E685 WeakPolarHBondContact CA-O 3.27Å; Y673-E685 PolarHBondContact N-O 2.79Å; L681-E685 HydrophobicContact CD2-CB 4.2Å
686T90.1Very high82.5Confident29 Ų2963.9 Ų63.918%0.17835%0.348CS..EExtended strand (participates in β ladder)trans-124.8126.3-173.3-71.90000111.4R670 T672 R684R670-T686 HydrophobicContact CG-CG2 3.6Å; T672-T686 PolarHBondContact OG1-OG1 3.29Å; R684-T686 PolarHBondContact O-N 3.1Å
687L88.6Confident82.2Confident0 Ų062.4 Ų62.40%034%0.343CS..EExtended strand (participates in β ladder)trans-116.8139178.1-83.1146.9000110.4L650 R670 I671 Y673 W695 S697L650-L687 HydrophobicContact CD1-CD1 4.15Å; R670-L687 CarbonylContact C-O 3.59Å; R670-L687 VanDerWaalsContact CA-O 3.27Å; R670-L687 WeakPolarHBondContact CA-O 3.09Å; R670-L687 WeakPolarHBondContact CG-O 3.07Å; I671-L687 HydrophobicContact CB-CB 4.48Å; I671-L687 PolarHBondContact N-O 2.84Å; I671-L687 PolarHBondContact O-N 3.14Å; Y673-L687 HydrophobicContact CD2-CD1 3.87Å; Y673-L687 HydrophobicContact CE2-CD1 3.54Å; L687-W695 HydrophobicContact CB-CE3 4.05Å; L687-W695 HydrophobicContact CD2-CB 4.15Å; L687-S697 WeakPolarHBondContact CD2-O 3.04Å; L687-S697 VanDerWaalsContact CD2-OG 3.31Å; L687-S697 WeakPolarHBondContact CD2-OG 3.41Å
688T87.6Confident82.2Confident46 Ų4665.2 Ų65.228%0.28235%0.347SS..EExtended strand (participates in β ladder)trans-127.9135.4-179.954.60000112.1A669 R670 Q690 W695 S696A669-T688 WeakPolarHBondContact O-CA 3.34Å; R670-T688 HydrophobicContact CB-CG2 4.39Å; R670-T688 HydrophobicContact CG-CG2 4.18Å; T688-Q690 PolarHBondContact O-N 3.27Å; T688-W695 VanDerWaalsContact C-CE3 3.41Å; T688-S696 PolarHBondContact N-OG 2.92Å; T688-S696 PolarHBondContact O-N 3.18Å; T688-S696 VanDerWaalsContact O-N 3.13Å
689C83.6Confident82.5Confident5 Ų567.4 Ų67.43%0.03436%0.359CS..BIsolated β-bridgetrans-71.3117.1174-1790000109.5C647 V666 G668 A669 W695C647-C689 HydrophobicContact CB-CB 3.87Å; C647-C689 WeakPolarHBondContact CB-SG 3.46Å; C647-C689 WeakPolarHBondContact SG-CA 3.46Å; C647-C689 WeakPolarHBondContact SG-CB 3.31Å; C647-C689 CovalentContact SG-SG 2.03Å; C647-C689 PolarHBondContact SG-SG 3.43Å; V666-C689 WeakPolarHBondContact O-CB 3.42Å; G668-C689 PolarHBondContact N-O 3.4Å; A669-C689 PolarHBondContact O-N 2.88Å; C689-W695 HydrophobicContact CB-CE3 4.33Å; C689-W695 HydrophobicContact CB-CH2 4Å; C689-W695 HydrophobicContact CB-CZ3 3.92Å; C689-W695 VanDerWaalsContact N-CZ3 3.27Å
690Q76.3Confident82.6Confident89 Ų8964.2 Ų64.242%0.41635%0.348SS..  trans-85.6177.1-174.2-71.8-164.271.600112.6T688 D692 L693 S694T688-Q690 PolarHBondContact O-N 3.27Å; Q690-D692 VanDerWaalsContact C-N 3.3Å; Q690-D692 WeakPolarHBondContact CB-OD1 3.13Å; Q690-D692 PolarHBondContact O-N 3.13Å; Q690-L693 PolarHBondContact O-N 2.69Å; Q690-S694 WeakPolarHBondContact CB-O 3.36Å; Q690-S694 PolarHBondContact N-O 3Å
691L65.7Low82.8Confident153 Ų15366.4 Ų66.480%0.80135%0.354SS*.THydrogen-bonded Turntrans-66.1-32.6-176.2-70.8172.5000113.3R667 L693R667-L691 PolarHBondContact NE-O 2.94Å; L691-L693 PolarHBondContact O-N 2.98Å
692D65.8Low82.9Confident107 Ų10765.2 Ų65.257%0.57235%0.349SS*.THydrogen-bonded Turntrans-76.90.4175.166.2-20.6000113.9Q690 S694Q690-D692 VanDerWaalsContact C-N 3.3Å; Q690-D692 WeakPolarHBondContact CB-OD1 3.13Å; Q690-D692 PolarHBondContact O-N 3.13Å; D692-S694 VanDerWaalsContact C-N 3.28Å; D692-S694 PolarHBondContact O-N 2.83Å; D692-S694 PolarHBondContact OD1-N 2.82Å; D692-S694 PolarHBondContact OD1-OG 2.94Å; D692-S694 VanDerWaalsContact OD2-CB 3.27Å; D692-S694 WeakPolarHBondContact OD2-CB 3.35Å; D692-S694 PolarHBondContact OD2-OG 3.03Å
693L69.6Low82.9Confident42 Ų4267.2 Ų67.222%0.2236%0.355CS..SBendtrans6622.4-173.5-53167.6000114.5N644 D645 C647 R667 Q690 L691N644-L693 WeakPolarHBondContact O-CD1 3.45Å; D645-L693 VanDerWaalsContact C-CD2 3.49Å; D645-L693 WeakPolarHBondContact O-CD2 3.3Å; C647-L693 PolarHBondContact SG-O 3.04Å; R667-L693 HydrophobicContact CG-CD2 3.64Å; Q690-L693 PolarHBondContact O-N 2.69Å; L691-L693 PolarHBondContact O-N 2.98Å
694S77.4Confident82.7Confident41 Ų4168.7 Ų68.729%0.28734%0.344SS..  trans-93.8163.8167.778.50000112.5Q690 D692Q690-S694 WeakPolarHBondContact CB-O 3.36Å; Q690-S694 PolarHBondContact N-O 3Å; D692-S694 VanDerWaalsContact C-N 3.28Å; D692-S694 PolarHBondContact O-N 2.83Å; D692-S694 PolarHBondContact OD1-N 2.82Å; D692-S694 PolarHBondContact OD1-OG 2.94Å; D692-S694 VanDerWaalsContact OD2-CB 3.27Å; D692-S694 WeakPolarHBondContact OD2-CB 3.35Å; D692-S694 PolarHBondContact OD2-OG 3.03Å
695W83.3Confident82.6Confident28 Ų2862.4 Ų62.411%0.10632%0.322CS..BIsolated β-bridgetrans-89.4144.6169.6-72.2107000111.4C647 P648 L650 L665 I671 L687 T688 C689 S697C647-W695 HydrophobicContact CB-CD2 4.43Å; C647-W695 HydrophobicContact CB-CH2 4.43Å; C647-W695 HydrophobicContact CB-CZ2 3.67Å; P648-W695 PolarHBondContact O-NE1 2.79Å; L650-W695 HydrophobicContact CD1-CD2 3.98Å; L650-W695 HydrophobicContact CD1-CG 3.94Å; L650-W695 HydrophobicContact CD2-CG 4.38Å; L650-W695 HydrophobicContact CG-CD2 4.5Å; L650-W695 HydrophobicContact CG-CG 4.36Å; L665-W695 HydrophobicContact CD2-CH2 4.39Å; L665-W695 HydrophobicContact CD2-CZ2 4.41Å; I671-W695 HydrophobicContact CD1-CH2 3.48Å; I671-W695 VanDerWaalsContact CD1-CH2 3.48Å; I671-W695 HydrophobicContact CD1-CZ2 3.58Å; I671-W695 HydrophobicContact CD1-CZ3 4.1Å; I671-W695 HydrophobicContact CG1-CH2 3.59Å; I671-W695 HydrophobicContact CG1-CZ2 4.23Å; I671-W695 HydrophobicContact CG1-CZ3 3.94Å; L687-W695 HydrophobicContact CB-CE3 4.05Å; L687-W695 HydrophobicContact CD2-CB 4.15Å; T688-W695 VanDerWaalsContact C-CE3 3.41Å; C689-W695 HydrophobicContact CB-CE3 4.33Å; C689-W695 HydrophobicContact CB-CH2 4Å; C689-W695 HydrophobicContact CB-CZ3 3.92Å; C689-W695 VanDerWaalsContact N-CZ3 3.27Å; W695-S697 PolarHBondContact O-N 2.89Å
696S84.2Confident82.2Confident36 Ų3661 Ų6125%0.25232%0.317SS..SBendtrans-62-12.3-176.558.30000116.8T688T688-S696 PolarHBondContact N-OG 2.92Å; T688-S696 PolarHBondContact O-N 3.18Å; T688-S696 VanDerWaalsContact O-N 3.13Å
697S83.4Confident82Confident41 Ų4164.2 Ų64.229%0.28733%0.326SS..SBendtrans-165.2-175.5168.562.90000109.7R684 L687 W695R684-S697 WeakPolarHBondContact CD-OG 3.3Å; L687-S697 WeakPolarHBondContact CD2-O 3.04Å; L687-S697 VanDerWaalsContact CD2-OG 3.31Å; L687-S697 WeakPolarHBondContact CD2-OG 3.41Å; W695-S697 PolarHBondContact O-N 2.89Å
698Q83.1Confident81.8Confident168 Ų16864.4 Ų64.479%0.78533%0.327SS*.PPolyproline II helixtrans-71.2160.8163.9-68.9170.1-17.800111.1
699P84.1Confident81.7Confident53 Ų5366.8 Ų66.834%0.34435%0.346SS..PPolyproline II helixtrans-59.9146.4172.1-21.433000112.8L650L650-P699 HydrophobicContact CD1-CG 4.33Å; L650-P699 HydrophobicContact CD2-CG 4.19Å
700P89.3Confident81.7Confident4 Ų470.4 Ų70.43%0.02637%0.365CS..PPolyproline II helixtrans-76.3169.8169.634.9-36.4000111.8I653 Y673 L681 V682 R684I653-P700 WeakPolarHBondContact CG2-O 3.18Å; Y673-P700 HydrophobicContact CD1-CG 4.44Å; Y673-P700 HydrophobicContact CD2-CG 3.94Å; Y673-P700 HydrophobicContact CG-CG 3.77Å; L681-P700 HydrophobicContact CD1-CB 4.39Å; L681-P700 HydrophobicContact CD1-CG 4.18Å; L681-P700 HydrophobicContact CD2-CB 3.61Å; L681-P700 HydrophobicContact CD2-CG 4.1Å; L681-P700 HydrophobicContact CG-CB 3.93Å; L681-P700 HydrophobicContact CG-CG 4.27Å; V682-P700 VanDerWaalsContact O-CA 3.3Å; V682-P700 WeakPolarHBondContact O-CA 3.1Å; V682-P700 WeakPolarHBondContact O-CB 3.32Å; R684-P700 WeakPolarHBondContact O-CG 3.5Å
701F90Very high82.1Confident121 Ų12167.9 Ų67.953%0.53136%0.356SS..EExtended strand (participates in β ladder)trans-130.3163.316964.5-91.6000111.5V682V682-F701 HydrophobicContact CB-CD1 4.32Å; V682-F701 HydrophobicContact CB-CD2 4.08Å; V682-F701 HydrophobicContact CB-CE1 3.97Å; V682-F701 HydrophobicContact CB-CE2 3.7Å; V682-F701 HydrophobicContact CB-CG 4.38Å; V682-F701 HydrophobicContact CB-CZ 3.64Å; V682-F701 HydrophobicContact CG1-CE1 3.79Å; V682-F701 HydrophobicContact CG1-CE2 4.04Å; V682-F701 HydrophobicContact CG1-CZ 3.49Å; V682-F701 VanDerWaalsContact CG1-CZ 3.49Å; V682-F701 HydrophobicContact CG2-CD2 4.35Å; V682-F701 HydrophobicContact CG2-CE2 3.84Å; V682-F701 HydrophobicContact CG2-CZ 4.16Å; V682-F701 PolarHBondContact N-O 3.12Å; V682-F701 PolarHBondContact O-N 3.01Å
702C90.5Very high82.9Confident15 Ų1561.8 Ų61.810%0.10133%0.33CS..EExtended strand (participates in β ladder)trans-105.1117.1-177.5-64.10000111.1I653 N655 C675 Y679 D680I653-C702 VanDerWaalsContact CD1-SG 3.58Å; N655-C702 PolarHBondContact O-SG 3.15Å; N655-C702 VanDerWaalsContact O-SG 3.42Å; C675-C702 WeakPolarHBondContact CA-SG 3.35Å; C675-C702 HydrophobicContact CB-CB 3.78Å; C675-C702 WeakPolarHBondContact CB-SG 3.43Å; C675-C702 VanDerWaalsContact SG-CA 3.51Å; C675-C702 WeakPolarHBondContact SG-CB 3.43Å; C675-C702 CovalentContact SG-SG 2.03Å; C675-C702 PolarHBondContact SG-SG 2.99Å; Y679-C702 HydrophobicContact CD1-CB 4.34Å; D680-C702 CarbonylContact O-C 3.52Å; D680-C702 WeakPolarHBondContact O-CA 3.29Å
703E86.8Confident83.9Confident94 Ų9461.8 Ų61.844%0.43933%0.326SS..EExtended strand (participates in β ladder)trans-97.4149.1173.877168.9-135.900111.6Y679 D680 V682Y679-E703 CarbonylContact C-O 3.18Å; Y679-E703 WeakPolarHBondContact CA-O 3.43Å; Y679-E703 WeakPolarHBondContact CB-O 3.28Å; D680-E703 PolarHBondContact N-O 2.96Å; D680-E703 PolarHBondContact O-N 2.81Å; V682-E703 HydrophobicContact CG2-CB 4.09Å; V682-E703 HydrophobicContact CG2-CG 3.7Å
704K83.3Confident84.7Confident91 Ų9160.2 Ų60.240%0.39632%0.318SS..EExtended strand (participates in β ladder)trans-77.5128.4-179.1-174.2174.1-179.7174.70110.5Y679 M706 E754Y679-K704 HydrophobicContact CD1-CB 4.1Å; Y679-K704 HydrophobicContact CE1-CB 3.9Å; Y679-K704 HydrophobicContact CE1-CG 4.43Å; K704-M706 HydrophobicContact CD-SD 4.13Å; K704-M706 HydrophobicContact CG-SD 4.15Å; K704-M706 WeakPolarHBondContact O-CG 3.4Å; K704-M706 PolarHBondContact O-N 3.42Å; K704-M706 VanDerWaalsContact O-N 3.12Å; K704-E754 IonicContact NZ-OE1 3.45Å; K704-E754 PolarHBondContact NZ-OE1 3.49Å
705I84Confident85Confident26 Ų2664.9 Ų64.913%0.13334%0.335CS..  trans-72.1108.7-179.8-61.8166.3000109.5G678 D680 Y707 T757 P758G678-I705 WeakPolarHBondContact O-CB 3.27Å; G678-I705 PolarHBondContact O-N 2.99Å; D680-I705 HydrophobicContact CB-CD1 4.08Å; D680-I705 HydrophobicContact CB-CG1 3.84Å; I705-Y707 HydrophobicContact CG2-CD1 4.29Å; I705-Y707 HydrophobicContact CG2-CE1 4.16Å; I705-T757 HydrophobicContact CD1-CG2 3.87Å; I705-P758 HydrophobicContact CG2-CG 4.45Å; I705-P758 WeakPolarHBondContact O-CD 3.24Å; I705-P758 WeakPolarHBondContact O-CG 3.39Å
706M80.9Confident85.1Confident93 Ų9368.3 Ų68.346%0.45835%0.352SS..  trans-104.310-177.3-66.9-59.4-64.500114.2K704 L727 V728K704-M706 HydrophobicContact CD-SD 4.13Å; K704-M706 HydrophobicContact CG-SD 4.15Å; K704-M706 WeakPolarHBondContact O-CG 3.4Å; K704-M706 PolarHBondContact O-N 3.42Å; K704-M706 VanDerWaalsContact O-N 3.12Å; M706-L727 CarbonylContact O-C 3.47Å; M706-L727 WeakPolarHBondContact O-CA 3.49Å; M706-V728 PolarHBondContact O-N 3.18Å
707Y84.6Confident85.3Confident96 Ų9667.1 Ų67.138%0.37634%0.344SS..BIsolated β-bridgetrans-127.3155.1-179.760.6-89000112.4I705 L726I705-Y707 HydrophobicContact CG2-CD1 4.29Å; I705-Y707 HydrophobicContact CG2-CE1 4.16Å; Y707-L726 WeakPolarHBondContact CA-O 3.49Å
708C84.6Confident85.4Confident3 Ų369.4 Ų69.42%0.0236%0.357CS..PPolyproline II helixtrans-95.1146.4168.6-67.70000110.7L726 C750 W760C708-L726 PolarHBondContact N-O 3.26Å; C708-L726 WeakPolarHBondContact O-CB 3.42Å; C708-C750 HydrophobicContact CB-CB 3.8Å; C708-C750 WeakPolarHBondContact CB-SG 3.47Å; C708-C750 PolarHBondContact N-SG 2.78Å; C708-C750 WeakPolarHBondContact SG-CA 3.32Å; C708-C750 WeakPolarHBondContact SG-CB 3.4Å; C708-C750 CovalentContact SG-SG 2.03Å; C708-C750 PolarHBondContact SG-SG 3.17Å; C708-W760 HydrophobicContact CB-CD2 4.32Å; C708-W760 HydrophobicContact CB-CZ2 3.63Å
709S84.7Confident85.7Confident96 Ų9665 Ų6567%0.67133%0.333SS*.PPolyproline II helixtrans-59.5146.4169-45.10000111.1P711 W760S709-P711 WeakPolarHBondContact O-CD 3.37Å; S709-W760 PolarHBondContact O-NE1 2.83Å
710D85.5Confident85.8Confident82 Ų8266.7 Ų66.744%0.43934%0.342SS..PPolyproline II helixtrans-58.1119.8175.8-171.3-30.7000110G712 R719 L726D710-G712 PolarHBondContact O-N 2.86Å; D710-G712 WeakPolarHBondContact OD1-CA 3.42Å; D710-G712 PolarHBondContact OD1-N 2.77Å; D710-R719 IonicContact OD1-CZ 2.73Å; D710-R719 IonicContact OD1-NH1 2.73Å; D710-R719 PolarHBondContact OD1-NH1 2.85Å; D710-R719 IonicContact OD1-NH2 3.24Å; D710-R719 IonicContact OD2-CZ 3.24Å; D710-R719 IonicContact OD2-NH1 3.29Å; D710-R719 PolarHBondContact OD2-NH1 3.37Å; D710-R719 IonicContact OD2-NH2 3.57Å; D710-R719 PolarHBondContact OD2-NH2 2.86Å; D710-L726 HydrophobicContact CB-CD1 3.89Å
711P83.9Confident85.7Confident36 Ų3669.6 Ų69.623%0.23436%0.357CS..  trans-75.3-11.7-176.729.5-31.7000113S709 I732 I748 W760 L764S709-P711 WeakPolarHBondContact O-CD 3.37Å; P711-I732 HydrophobicContact CG-CD1 3.76Å; P711-I748 HydrophobicContact CB-CD1 3.95Å; P711-I748 HydrophobicContact CG-CD1 3.54Å; P711-W760 HydrophobicContact CB-CD2 4.46Å; P711-W760 HydrophobicContact CB-CG 4.29Å; P711-W760 HydrophobicContact CG-CD2 4.14Å; P711-W760 HydrophobicContact CG-CG 4.48Å; P711-W760 HydrophobicContact CG-CZ2 4.03Å; P711-L764 HydrophobicContact CB-CD2 4.09Å; P711-L764 WeakPolarHBondContact O-CD1 3.28Å
712G82.9Confident85.5Confident24 Ų2467.5 Ų67.525%0.24736%0.358CS..  trans110.7-176.9174.300000115.4D710 R719 Y734D710-G712 PolarHBondContact O-N 2.86Å; D710-G712 WeakPolarHBondContact OD1-CA 3.42Å; D710-G712 PolarHBondContact OD1-N 2.77Å; G712-R719 PolarHBondContact O-NH1 2.91Å; G712-Y734 PolarHBondContact O-OH 3.24Å
713H85.3Confident85Confident107 Ų10769.3 Ų69.350%0.49537%0.366SS..  trans-100.9155.6173.1-172.760.4000110.5S717H713-S717 PolarHBondContact CE1-O 3.03Å; H713-S717 VanDerWaalsContact CE1-O 3.3Å
714V87.1Confident84.6Confident9 Ų970.4 Ų70.46%0.05538%0.381CS..  trans-119123.2177.2171.10000107.2S717 Y734 L764 P765V714-S717 WeakPolarHBondContact CB-OG 3.34Å; V714-S717 WeakPolarHBondContact O-CB 3.44Å; V714-S717 PolarHBondContact O-N 2.96Å; V714-S717 PolarHBondContact O-OG 3.08Å; V714-Y734 HydrophobicContact CB-CD1 4.02Å; V714-Y734 HydrophobicContact CB-CE1 4.14Å; V714-Y734 HydrophobicContact CG2-CD1 3.91Å; V714-Y734 HydrophobicContact CG2-CE1 3.73Å; V714-L764 HydrophobicContact CG2-CB 3.89Å; V714-L764 HydrophobicContact CG2-CD1 3.94Å; V714-L764 HydrophobicContact CG2-CD2 4.07Å; V714-L764 HydrophobicContact CG2-CG 4.2Å; V714-P765 VanDerWaalsContact CG1-O 3.24Å; V714-P765 WeakPolarHBondContact CG1-O 3.24Å; V714-P765 HydrophobicContact CG2-CG 4.48Å; V714-P765 VanDerWaalsContact CG2-O 3.25Å; V714-P765 WeakPolarHBondContact CG2-O 3.24Å
715E84.7Confident84.2Confident139 Ų13973.5 Ų73.565%0.6540%0.395SS*.THydrogen-bonded Turntrans-55145.6179.7-65.3-57.7150.700112.1S717E715-S717 PolarHBondContact O-N 2.84Å
716H85.3Confident84.2Confident100 Ų10073.1 Ų73.146%0.46339%0.393SS..THydrogen-bonded Turntrans54.730.5-176.5-55.6-73.6000114.5S737 F740 C767H716-S737 WeakPolarHBondContact O-CB 3.49Å; H716-S737 PolarHBondContact O-N 2.84Å; H716-S737 PolarHBondContact O-OG 2.87Å; H716-S737 VanDerWaalsContact O-OG 3.07Å; H716-F740 HydrophobicContact CB-CD1 3.78Å; H716-F740 HydrophobicContact CB-CD2 4Å; H716-F740 HydrophobicContact CB-CE1 3.76Å; H716-F740 HydrophobicContact CB-CE2 3.99Å; H716-F740 HydrophobicContact CB-CG 3.92Å; H716-F740 HydrophobicContact CB-CZ 3.87Å; H716-F740 AromaticContact CD2-CE1 3.5Å; H716-F740 AromaticContact CD2-CZ 3.69Å; H716-F740 AromaticContact CE1-CZ 3.74Å; H716-F740 AromaticContact CG-CE1 3.48Å; H716-F740 VanDerWaalsContact CG-CE1 3.48Å; H716-F740 AromaticContact CG-CE2 3.86Å; H716-F740 AromaticContact CG-CZ 3.38Å; H716-F740 AromaticContact ND1-CE2 3.76Å; H716-F740 AromaticContact ND1-CZ 3.42Å; H716-F740 WeakPolarHBondContact ND1-CZ 3.36Å; H716-F740 AromaticContact NE2-CZ 3.9Å; H716-C767 HydrophobicContact CB-CB 4.4Å
717S87.1Confident84.4Confident11 Ų1172.1 Ų72.18%0.07739%0.389CS..EExtended strand (participates in β ladder)trans-130.2162.2175.683.90000113.4H713 V714 E715 S735H713-S717 PolarHBondContact CE1-O 3.03Å; H713-S717 VanDerWaalsContact CE1-O 3.3Å; V714-S717 WeakPolarHBondContact CB-OG 3.34Å; V714-S717 WeakPolarHBondContact O-CB 3.44Å; V714-S717 PolarHBondContact O-N 2.96Å; V714-S717 PolarHBondContact O-OG 3.08Å; E715-S717 PolarHBondContact O-N 2.84Å; S717-S735 CarbonylContact C-O 3.58Å; S717-S735 WeakPolarHBondContact CA-O 3.43Å; S717-S735 WeakPolarHBondContact CB-O 3.41Å
718T86.8Confident84.4Confident90 Ų9070.3 Ų70.355%0.55239%0.388SS*.EExtended strand (participates in β ladder)trans-106.3146.716055.60000109.4Y734 S735T718-Y734 CarbonylContact O-C 3.49Å; T718-Y734 WeakPolarHBondContact O-CA 3.03Å; T718-S735 PolarHBondContact N-O 2.88Å; T718-S735 PolarHBondContact O-N 2.84Å
719R88Confident84.3Confident76 Ų7672.5 Ų72.529%0.28741%0.412SS..EExtended strand (participates in β ladder)trans-118.4133.2173.275.2178.1-168.8171.98.5110.8D710 G712 L721 I732 Q733 Y734D710-R719 IonicContact OD1-CZ 2.73Å; D710-R719 IonicContact OD1-NH1 2.73Å; D710-R719 PolarHBondContact OD1-NH1 2.85Å; D710-R719 IonicContact OD1-NH2 3.24Å; D710-R719 IonicContact OD2-CZ 3.24Å; D710-R719 IonicContact OD2-NH1 3.29Å; D710-R719 PolarHBondContact OD2-NH1 3.37Å; D710-R719 IonicContact OD2-NH2 3.57Å; D710-R719 PolarHBondContact OD2-NH2 2.86Å; G712-R719 PolarHBondContact O-NH1 2.91Å; R719-L721 HydrophobicContact CG-CD1 3.94Å; R719-I732 HydrophobicContact CB-CG2 4.09Å; R719-Q733 WeakPolarHBondContact CA-O 3.42Å; R719-Y734 HydrophobicContact CB-CD1 3.89Å; R719-Y734 HydrophobicContact CB-CE1 3.78Å; R719-Y734 HydrophobicContact CB-CG 4.49Å
720T87.6Confident84.4Confident87 Ų8768.1 Ų68.153%0.53438%0.381SS..EExtended strand (participates in β ladder)trans-118.2125.1173.546.60000109.2Q733T720-Q733 PolarHBondContact N-O 2.87Å; T720-Q733 PolarHBondContact O-N 2.91Å; T720-Q733 PolarHBondContact OG1-O 2.93Å
721L87.2Confident84.5Confident65 Ų6566.7 Ų66.734%0.3438%0.375SS..EExtended strand (participates in β ladder)trans-100.9143.5-178.9-69.371.4000109.5R719 L726 I732R719-L721 HydrophobicContact CG-CD1 3.94Å; L721-L726 HydrophobicContact CD2-CD2 3.74Å; L721-I732 HydrophobicContact CD1-CG2 4.33Å; L721-I732 HydrophobicContact CG-CD1 4.36Å; L721-I732 HydrophobicContact CG-CG1 4.15Å; L721-I732 HydrophobicContact CG-CG2 4.35Å
722S85Confident84.8Confident78 Ų7865 Ų6555%0.54536%0.364SS..SBendtrans-76.4-30170.968.30000113.3T731S722-T731 WeakPolarHBondContact CB-OG1 3.32Å; S722-T731 PolarHBondContact N-O 2.91Å; S722-T731 PolarHBondContact OG-N 3.01Å; S722-T731 PolarHBondContact OG-O 2.03Å; S722-T731 PolarHBondContact OG-OG1 3.48Å
723D79.4Confident85.1Confident52 Ų5268.8 Ų68.828%0.27838%0.375SS..  trans-143.9129.2176.6-172.5-33.7000109K725 T730D723-K725 PolarHBondContact O-N 2.87Å; D723-K725 WeakPolarHBondContact OD1-CB 3.48Å; D723-K725 PolarHBondContact OD1-N 3.04Å; D723-T730 HydrophobicContact CB-CG2 4.24Å; D723-T730 WeakPolarHBondContact O-CG2 3.41Å
724P78.9Confident85.4Confident117 Ų11763.9 Ų63.976%0.7635%0.352SS*.THydrogen-bonded Turntrans-67.5-14.1176.928.9-36.8000114.8
725K74.3Confident85.5Confident156 Ų15666.5 Ų66.568%0.67837%0.371SS*.THydrogen-bonded Turntrans-87.6-3.3-178.7-65.3-173.9175.4-175.70114.8D723 L727D723-K725 PolarHBondContact O-N 2.87Å; D723-K725 WeakPolarHBondContact OD1-CB 3.48Å; D723-K725 PolarHBondContact OD1-N 3.04Å; K725-L727 HydrophobicContact CB-CD1 4.29Å; K725-L727 HydrophobicContact CB-CG 4.01Å; K725-L727 PolarHBondContact O-N 3.23Å; K725-L727 VanDerWaalsContact O-N 3.13Å
726L85.2Confident85.6Confident19 Ų1961 Ų6110%0.09935%0.348CS..  trans54.929.4176.8-54.3-178.6000115Y707 C708 D710 L721 T730 I732 W760Y707-L726 WeakPolarHBondContact CA-O 3.49Å; C708-L726 PolarHBondContact N-O 3.26Å; C708-L726 WeakPolarHBondContact O-CB 3.42Å; D710-L726 HydrophobicContact CB-CD1 3.89Å; L721-L726 HydrophobicContact CD2-CD2 3.74Å; L726-T730 HydrophobicContact CD2-CG2 4.23Å; L726-I732 HydrophobicContact CD2-CD1 3.95Å; L726-W760 HydrophobicContact CD2-CH2 4.14Å; L726-W760 HydrophobicContact CD2-CZ2 4.22Å
727L84.8Confident85.8Confident71 Ų7158.1 Ų58.137%0.37234%0.339SS..BIsolated β-bridgetrans-62.9158.7177.2-64.5171.6000111.9M706 K725 G729 T730M706-L727 CarbonylContact O-C 3.47Å; M706-L727 WeakPolarHBondContact O-CA 3.49Å; K725-L727 HydrophobicContact CB-CD1 4.29Å; K725-L727 HydrophobicContact CB-CG 4.01Å; K725-L727 PolarHBondContact O-N 3.23Å; K725-L727 VanDerWaalsContact O-N 3.13Å; L727-G729 PolarHBondContact O-N 2.79Å; L727-T730 PolarHBondContact N-OG1 2.79Å; L727-T730 WeakPolarHBondContact O-CB 3.4Å; L727-T730 PolarHBondContact O-N 2.86Å; L727-T730 PolarHBondContact O-OG1 2.92Å
728V83.9Confident85.6Confident58 Ų5863.9 Ų63.935%0.35238%0.376SS..THydrogen-bonded Turntrans-51.8128.4170.5171.10000110.4M706 P758M706-V728 PolarHBondContact O-N 3.18Å; V728-P758 HydrophobicContact CG2-CB 3.9Å; V728-P758 HydrophobicContact CG2-CG 3.82Å
729G83.1Confident85Confident50 Ų5061.1 Ų61.152%0.51537%0.366SS..THydrogen-bonded Turntrans97.4-15.1-17100000114.5L727 T731 C750L727-G729 PolarHBondContact O-N 2.79Å; G729-T731 PolarHBondContact O-N 3.02Å; G729-C750 PolarHBondContact N-O 2.92Å
730T86.6Confident84.7Confident4 Ų460 Ų603%0.02536%0.363CS..  trans-61.4134.1176.2-58.80000110.8D723 L726 L727 T749 C750D723-T730 HydrophobicContact CB-CG2 4.24Å; D723-T730 WeakPolarHBondContact O-CG2 3.41Å; L726-T730 HydrophobicContact CD2-CG2 4.23Å; L727-T730 PolarHBondContact N-OG1 2.79Å; L727-T730 WeakPolarHBondContact O-CB 3.4Å; L727-T730 PolarHBondContact O-N 2.86Å; L727-T730 PolarHBondContact O-OG1 2.92Å; T730-T749 WeakPolarHBondContact O-CA 3.38Å; T730-C750 PolarHBondContact O-N 3.3Å
731T88.1Confident84.3Confident51 Ų5158.8 Ų58.831%0.31335%0.352SS..EExtended strand (participates in β ladder)trans-107.7140.3170.152.70000110.5S722 G729 T747 I748 T749S722-T731 WeakPolarHBondContact CB-OG1 3.32Å; S722-T731 PolarHBondContact N-O 2.91Å; S722-T731 PolarHBondContact OG-N 3.01Å; S722-T731 PolarHBondContact OG-O 2.03Å; S722-T731 PolarHBondContact OG-OG1 3.48Å; G729-T731 PolarHBondContact O-N 3.02Å; T731-T747 HydrophobicContact CG2-CG2 4.31Å; T731-I748 CarbonylContact C-O 3.49Å; T731-I748 WeakPolarHBondContact CA-O 3.03Å; T731-T749 HydrophobicContact CG2-CG2 3.89Å
732I89.3Confident84Confident0 Ų058.2 Ų58.20%035%0.349CS..EExtended strand (participates in β ladder)trans-116.9117.5167.4-48.3-174.9000107P711 R719 L721 L726 Y734 T747 I748 W760P711-I732 HydrophobicContact CG-CD1 3.76Å; R719-I732 HydrophobicContact CB-CG2 4.09Å; L721-I732 HydrophobicContact CD1-CG2 4.33Å; L721-I732 HydrophobicContact CG-CD1 4.36Å; L721-I732 HydrophobicContact CG-CG1 4.15Å; L721-I732 HydrophobicContact CG-CG2 4.35Å; L726-I732 HydrophobicContact CD2-CD1 3.95Å; I732-Y734 HydrophobicContact CB-CE2 4.16Å; I732-Y734 HydrophobicContact CG2-CD2 4.2Å; I732-Y734 HydrophobicContact CG2-CE2 3.58Å; I732-T747 WeakPolarHBondContact O-CA 3.09Å; I732-I748 HydrophobicContact CB-CD1 4.45Å; I732-I748 HydrophobicContact CB-CG1 3.93Å; I732-I748 PolarHBondContact N-O 3.28Å; I732-I748 PolarHBondContact O-N 2.81Å; I732-W760 HydrophobicContact CD1-CH2 3.58Å; I732-W760 HydrophobicContact CD1-CZ2 3.97Å; I732-W760 HydrophobicContact CD1-CZ3 4.08Å; I732-W760 HydrophobicContact CG1-CH2 3.7Å; I732-W760 HydrophobicContact CG1-CZ3 3.86Å
733Q90.1Very high83.8Confident104 Ų10458.6 Ų58.649%0.48634%0.342SS..EExtended strand (participates in β ladder)trans-100.6130.1172.5-177.2174.2-1000109.1R719 T720 A746 T747R719-Q733 WeakPolarHBondContact CA-O 3.42Å; T720-Q733 PolarHBondContact N-O 2.87Å; T720-Q733 PolarHBondContact O-N 2.91Å; T720-Q733 PolarHBondContact OG1-O 2.93Å; Q733-A746 WeakPolarHBondContact CA-O 3.35Å; Q733-T747 HydrophobicContact CB-CG2 4.46Å
734Y90.3Very high83.8Confident4 Ų459 Ų592%0.01636%0.358CS..EExtended strand (participates in β ladder)trans-99154.7172.8-66.6-99.2000109.5G712 V714 T718 R719 I732 M742 A746 I748 L764 P765G712-Y734 PolarHBondContact O-OH 3.24Å; V714-Y734 HydrophobicContact CB-CD1 4.02Å; V714-Y734 HydrophobicContact CB-CE1 4.14Å; V714-Y734 HydrophobicContact CG2-CD1 3.91Å; V714-Y734 HydrophobicContact CG2-CE1 3.73Å; T718-Y734 CarbonylContact O-C 3.49Å; T718-Y734 WeakPolarHBondContact O-CA 3.03Å; R719-Y734 HydrophobicContact CB-CD1 3.89Å; R719-Y734 HydrophobicContact CB-CE1 3.78Å; R719-Y734 HydrophobicContact CB-CG 4.49Å; I732-Y734 HydrophobicContact CB-CE2 4.16Å; I732-Y734 HydrophobicContact CG2-CD2 4.2Å; I732-Y734 HydrophobicContact CG2-CE2 3.58Å; Y734-M742 WeakPolarHBondContact O-CE 3.35Å; Y734-A746 PolarHBondContact N-O 2.97Å; Y734-I748 HydrophobicContact CE2-CD1 3.88Å; Y734-I748 HydrophobicContact CE2-CG1 4.17Å; Y734-L764 HydrophobicContact CE1-CD2 4.32Å; Y734-L764 HydrophobicContact CE2-CD2 4.16Å; Y734-L764 VanDerWaalsContact OH-CD2 3.24Å; Y734-L764 WeakPolarHBondContact OH-CD2 3.25Å; Y734-P765 HydrophobicContact CD2-CG 4.11Å; Y734-P765 HydrophobicContact CG-CG 3.98Å
735S89Confident83.9Confident65 Ų6555.3 Ų55.346%0.45534%0.341SS..EExtended strand (participates in β ladder)trans-142.7129.3169.5-176.50000108.8S717 T718S717-S735 CarbonylContact C-O 3.58Å; S717-S735 WeakPolarHBondContact CA-O 3.43Å; S717-S735 WeakPolarHBondContact CB-O 3.41Å; T718-S735 PolarHBondContact N-O 2.88Å; T718-S735 PolarHBondContact O-N 2.84Å
736C88.6Confident84.4Confident24 Ų2449.8 Ų49.816%0.16233%0.325CS..EExtended strand (participates in β ladder)trans-70150.5175.5-60.50000111.1F740 M742 C767C736-F740 HydrophobicContact CB-CB 3.99Å; C736-F740 VanDerWaalsContact CB-O 3.27Å; C736-F740 WeakPolarHBondContact CB-O 3.49Å; C736-M742 VanDerWaalsContact SG-CA 3.56Å; C736-M742 VanDerWaalsContact SG-CB 3.57Å; C736-C767 WeakPolarHBondContact CA-SG 3.47Å; C736-C767 HydrophobicContact CB-CB 3.86Å; C736-C767 WeakPolarHBondContact CB-SG 3.19Å; C736-C767 VanDerWaalsContact SG-CA 3.57Å; C736-C767 WeakPolarHBondContact SG-CB 3.39Å; C736-C767 CovalentContact SG-SG 2.04Å; C736-C767 PolarHBondContact SG-SG 2.91Å
737S87.6Confident84.6Confident38 Ų3851.8 Ų51.827%0.26634%0.338SS..PPolyproline II helixtrans-72157.1171.7680000111.4H716 G739 F740H716-S737 WeakPolarHBondContact O-CB 3.49Å; H716-S737 PolarHBondContact O-N 2.84Å; H716-S737 PolarHBondContact O-OG 2.87Å; H716-S737 VanDerWaalsContact O-OG 3.07Å; S737-G739 PolarHBondContact O-N 2.91Å; S737-F740 WeakPolarHBondContact O-CB 3.34Å; S737-F740 PolarHBondContact O-N 2.68Å; S737-F740 VanDerWaalsContact O-N 3.14Å; S737-F740 WeakPolarHBondContact OG-CD2 3.42Å
738P83.4Confident84.8Confident133 Ų13348.4 Ų48.486%0.86432%0.32SS*.THydrogen-bonded Turntrans-55.1135.3-179.6-25.935.1000112.7
739G74.3Confident85.1Confident32 Ų3247.9 Ų47.933%0.3332%0.317SS..THydrogen-bonded Turntrans92.5-0.4-172.800000114.7S737 S769 E770S737-G739 PolarHBondContact O-N 2.91Å; G739-S769 WeakPolarHBondContact O-CA 3.22Å; G739-E770 WeakPolarHBondContact CA-OE1 3.04Å; G739-E770 PolarHBondContact N-OE1 3.44Å; G739-E770 PolarHBondContact O-N 2.04Å
740F82.1Confident85.4Confident53 Ų5345.5 Ų45.523%0.23229%0.293CS..EExtended strand (participates in β ladder)trans-127.8132.9179.5-65-102000112.1H716 C736 S737 C767 V768H716-F740 HydrophobicContact CB-CD1 3.78Å; H716-F740 HydrophobicContact CB-CD2 4Å; H716-F740 HydrophobicContact CB-CE1 3.76Å; H716-F740 HydrophobicContact CB-CE2 3.99Å; H716-F740 HydrophobicContact CB-CG 3.92Å; H716-F740 HydrophobicContact CB-CZ 3.87Å; H716-F740 AromaticContact CD2-CE1 3.5Å; H716-F740 AromaticContact CD2-CZ 3.69Å; H716-F740 AromaticContact CE1-CZ 3.74Å; H716-F740 AromaticContact CG-CE1 3.48Å; H716-F740 VanDerWaalsContact CG-CE1 3.48Å; H716-F740 AromaticContact CG-CE2 3.86Å; H716-F740 AromaticContact CG-CZ 3.38Å; H716-F740 AromaticContact ND1-CE2 3.76Å; H716-F740 AromaticContact ND1-CZ 3.42Å; H716-F740 WeakPolarHBondContact ND1-CZ 3.36Å; H716-F740 AromaticContact NE2-CZ 3.9Å; C736-F740 HydrophobicContact CB-CB 3.99Å; C736-F740 VanDerWaalsContact CB-O 3.27Å; C736-F740 WeakPolarHBondContact CB-O 3.49Å; S737-F740 WeakPolarHBondContact O-CB 3.34Å; S737-F740 PolarHBondContact O-N 2.68Å; S737-F740 VanDerWaalsContact O-N 3.14Å; S737-F740 WeakPolarHBondContact OG-CD2 3.42Å; F740-C767 HydrophobicContact CB-CB 4.11Å; F740-C767 HydrophobicContact CD1-CB 4.47Å; F740-V768 CarbonylContact C-O 3.56Å; F740-V768 VanDerWaalsContact CA-O 3.25Å; F740-V768 WeakPolarHBondContact CA-O 3.37Å
741I79.6Confident85.4Confident60 Ų6050.7 Ų50.731%0.30831%0.312SS..EExtended strand (participates in β ladder)trans-97.7141.6176.5-60.9-179.7000109.4V768 E770 V773 L794I741-V768 PolarHBondContact N-O 2.79Å; I741-V768 WeakPolarHBondContact O-CG2 3.37Å; I741-V768 PolarHBondContact O-N 2.95Å; I741-E770 HydrophobicContact CD1-CG 3.99Å; I741-E770 HydrophobicContact CG1-CG 3.78Å; I741-V773 HydrophobicContact CB-CG2 4.42Å; I741-V773 HydrophobicContact CD1-CG2 4Å; I741-L794 HydrophobicContact CD1-CD2 4.33Å
742M81.2Confident85Confident54 Ų5450.1 Ų50.127%0.26632%0.317SS..EExtended strand (participates in β ladder)trans-83.5131.6178.4-167179.2-71.300112.5Y734 C736 A746 P765Y734-M742 WeakPolarHBondContact O-CE 3.35Å; C736-M742 VanDerWaalsContact SG-CA 3.56Å; C736-M742 VanDerWaalsContact SG-CB 3.57Å; M742-A746 HydrophobicContact CE-CB 4.17Å; M742-A746 WeakPolarHBondContact SD-CA 3.14Å; M742-A746 HydrophobicContact SD-CB 3.51Å; M742-A746 VanDerWaalsContact SD-CB 3.51Å; M742-P765 HydrophobicContact CG-CB 3.94Å; M742-P765 HydrophobicContact SD-CB 4.05Å; M742-P765 HydrophobicContact SD-CG 4.37Å
743Q80.7Confident84.5Confident86 Ų8655.1 Ų55.140%0.40234%0.336SS..EExtended strand (participates in β ladder)trans-118.198.1173.2-169.7176.234.600109.2H766Q743-H766 PolarHBondContact N-O 3.41Å; Q743-H766 PolarHBondContact O-N 3.14Å
744G78.9Confident83.7Confident61 Ų6157.6 Ų57.663%0.62935%0.347SS*.SBendtrans144.4-167-178.700000112.8
745G81.8Confident82.2Confident38 Ų3862.9 Ų62.939%0.39238%0.382SS..  trans-84.6127.9169.600000110.7T747G745-T747 VanDerWaalsContact C-N 3.31Å; G745-T747 PolarHBondContact O-N 3.28Å
746A84.2Confident81.4Confident41 Ų4160.3 Ų60.334%0.33937%0.366SS..SBendtrans-70.6-24.7-176.800000114.4Q733 Y734 M742Q733-A746 WeakPolarHBondContact CA-O 3.35Å; Y734-A746 PolarHBondContact N-O 2.97Å; M742-A746 HydrophobicContact CE-CB 4.17Å; M742-A746 WeakPolarHBondContact SD-CA 3.14Å; M742-A746 HydrophobicContact SD-CB 3.51Å; M742-A746 VanDerWaalsContact SD-CB 3.51Å
747T89.2Confident81.1Confident60 Ų6062.1 Ų62.137%0.36838%0.376SS..EExtended strand (participates in β ladder)trans-125.4133.3-179-51.40000109.9T731 I732 Q733 G745T731-T747 HydrophobicContact CG2-CG2 4.31Å; I732-T747 WeakPolarHBondContact O-CA 3.09Å; Q733-T747 HydrophobicContact CB-CG2 4.46Å; G745-T747 VanDerWaalsContact C-N 3.31Å; G745-T747 PolarHBondContact O-N 3.28Å
748I89.8Confident81Confident1 Ų161 Ų611%0.00537%0.368CS..EExtended strand (participates in β ladder)trans-118.1143.1173.266.5177.9000109.4P711 T731 I732 Y734 W760 S762 L764P711-I748 HydrophobicContact CB-CD1 3.95Å; P711-I748 HydrophobicContact CG-CD1 3.54Å; T731-I748 CarbonylContact C-O 3.49Å; T731-I748 WeakPolarHBondContact CA-O 3.03Å; I732-I748 HydrophobicContact CB-CD1 4.45Å; I732-I748 HydrophobicContact CB-CG1 3.93Å; I732-I748 PolarHBondContact N-O 3.28Å; I732-I748 PolarHBondContact O-N 2.81Å; Y734-I748 HydrophobicContact CE2-CD1 3.88Å; Y734-I748 HydrophobicContact CE2-CG1 4.17Å; I748-W760 HydrophobicContact CB-CE3 4.17Å; I748-W760 HydrophobicContact CD1-CD2 4.18Å; I748-W760 HydrophobicContact CD1-CE3 3.97Å; I748-W760 HydrophobicContact CG1-CD2 4.44Å; I748-W760 HydrophobicContact CG1-CE3 3.74Å; I748-W760 HydrophobicContact CG1-CZ3 4.12Å; I748-S762 VanDerWaalsContact CG2-OG 3.32Å; I748-S762 WeakPolarHBondContact CG2-OG 3.06Å; I748-L764 HydrophobicContact CD1-CD2 4.3Å
749T89.6Confident81.2Confident46 Ų4657 Ų5728%0.28234%0.341SS..EExtended strand (participates in β ladder)trans-122.3135-175.7-46.90000109.8T730 T731 W760 T761T730-T749 WeakPolarHBondContact O-CA 3.38Å; T731-T749 HydrophobicContact CG2-CG2 3.89Å; T749-W760 WeakPolarHBondContact O-CA 3.45Å; T749-T761 PolarHBondContact N-OG1 2.96Å; T749-T761 PolarHBondContact O-N 2.04Å; T749-T761 PolarHBondContact O-OG1 3.06Å
750C89.1Confident81.9Confident1 Ų157.3 Ų57.31%0.00733%0.332CS..EExtended strand (participates in β ladder)trans-77.7122170.3177.10000108.8C708 G729 T730 W760C708-C750 HydrophobicContact CB-CB 3.8Å; C708-C750 WeakPolarHBondContact CB-SG 3.47Å; C708-C750 PolarHBondContact N-SG 2.78Å; C708-C750 WeakPolarHBondContact SG-CA 3.32Å; C708-C750 WeakPolarHBondContact SG-CB 3.4Å; C708-C750 CovalentContact SG-SG 2.03Å; C708-C750 PolarHBondContact SG-SG 3.17Å; G729-C750 PolarHBondContact N-O 2.92Å; T730-C750 PolarHBondContact O-N 3.3Å; C750-W760 HydrophobicContact CB-CD2 4.45Å; C750-W760 HydrophobicContact CB-CE3 4.08Å; C750-W760 HydrophobicContact CB-CH2 3.79Å; C750-W760 HydrophobicContact CB-CZ2 4.2Å; C750-W760 HydrophobicContact CB-CZ3 3.75Å; C750-W760 VanDerWaalsContact N-CE3 3.31Å
751Y85.8Confident82.1Confident112 Ų11258.4 Ų58.444%0.43934%0.343SS..EExtended strand (participates in β ladder)trans-123139.4175.776.1-80.5000111.4P758 V759 T761Y751-P758 WeakPolarHBondContact O-CA 3.44Å; Y751-V759 HydrophobicContact CD1-CG2 4.27Å; Y751-V759 WeakPolarHBondContact CD1-O 3.04Å; Y751-V759 HydrophobicContact CE1-CB 4.49Å; Y751-V759 HydrophobicContact CE1-CG2 3.64Å; Y751-V759 HydrophobicContact CE2-CG2 4.09Å; Y751-V759 PolarHBondContact N-O 2.94Å; Y751-V759 PolarHBondContact O-N 2.85Å; Y751-T761 HydrophobicContact CD1-CG2 3.66Å; Y751-T761 HydrophobicContact CE1-CG2 4.14Å; Y751-T761 HydrophobicContact CG-CG2 4.48Å
752G80.9Confident82.4Confident39 Ų3958 Ų5840%0.40235%0.346SS..  trans-72.7148.317200000110.5
753R78.5Confident82.5Confident106 Ų10666.4 Ų66.440%0.437%0.374SS..  trans-127.3148.4171.166.3177.1-129.1-114.98.5109P755 G756 T757R753-P755 PolarHBondContact NE-O 3.12Å; R753-P755 PolarHBondContact NH2-O 2.85Å; R753-G756 WeakPolarHBondContact CG-O 3.21Å; R753-T757 VanDerWaalsContact CD-O 3.28Å; R753-T757 WeakPolarHBondContact CD-O 3.33Å; R753-T757 VanDerWaalsContact CG-O 3.29Å; R753-T757 WeakPolarHBondContact CG-O 3.35Å; R753-T757 PolarHBondContact NH1-O 3.07Å; R753-T757 PolarHBondContact NH1-OG1 2.86Å
754E72.9Confident82.8Confident156 Ų15664.7 Ų64.773%0.72937%0.368SS*.SBendtrans-130.1113.3176.6-60.6-167.7150.400107.8K704K704-E754 IonicContact NZ-OE1 3.45Å; K704-E754 PolarHBondContact NZ-OE1 3.49Å
755P59.9Low83.2Confident115 Ų11561.9 Ų61.975%0.74734%0.338SS*.SBendcis-83.4146.41.233.4-35000115.4R753R753-P755 PolarHBondContact NE-O 3.12Å; R753-P755 PolarHBondContact NH2-O 2.85Å
756G71.4Confident83.4Confident11 Ų1165.9 Ų65.911%0.11335%0.347CS..SBendtrans119-176158.700000117.5P677 R753P677-G756 WeakPolarHBondContact O-CA 3.18Å; R753-G756 WeakPolarHBondContact CG-O 3.21Å
757T81.6Confident83.6Confident62 Ų6264.8 Ų64.838%0.3834%0.336SS..  trans-59.8137-175.548.90000113.5I705 R753I705-T757 HydrophobicContact CD1-CG2 3.87Å; R753-T757 VanDerWaalsContact CD-O 3.28Å; R753-T757 WeakPolarHBondContact CD-O 3.33Å; R753-T757 VanDerWaalsContact CG-O 3.29Å; R753-T757 WeakPolarHBondContact CG-O 3.35Å; R753-T757 PolarHBondContact NH1-O 3.07Å; R753-T757 PolarHBondContact NH1-OG1 2.86Å
758P85.6Confident83.2Confident14 Ų1463.5 Ų63.59%0.09133%0.329CS..  trans-54.2150.1171.3-26.535.4000113.3I705 V728 Y751I705-P758 HydrophobicContact CG2-CG 4.45Å; I705-P758 WeakPolarHBondContact O-CD 3.24Å; I705-P758 WeakPolarHBondContact O-CG 3.39Å; V728-P758 HydrophobicContact CG2-CB 3.9Å; V728-P758 HydrophobicContact CG2-CG 3.82Å; Y751-P758 WeakPolarHBondContact O-CA 3.44Å
759V87.7Confident82.6Confident48 Ų4865.4 Ų65.429%0.29134%0.342SS..EExtended strand (participates in β ladder)trans-142.1159.2-175.4-76.80000111.8Y751Y751-V759 HydrophobicContact CD1-CG2 4.27Å; Y751-V759 WeakPolarHBondContact CD1-O 3.04Å; Y751-V759 HydrophobicContact CE1-CB 4.49Å; Y751-V759 HydrophobicContact CE1-CG2 3.64Å; Y751-V759 HydrophobicContact CE2-CG2 4.09Å; Y751-V759 PolarHBondContact N-O 2.94Å; Y751-V759 PolarHBondContact O-N 2.85Å
760W88.9Confident81.7Confident40 Ų4067 Ų6715%0.15235%0.346CS..EExtended strand (participates in β ladder)trans-81142.2174.7-64.899.4000111.4C708 S709 P711 L726 I732 I748 T749 C750 S762C708-W760 HydrophobicContact CB-CD2 4.32Å; C708-W760 HydrophobicContact CB-CZ2 3.63Å; S709-W760 PolarHBondContact O-NE1 2.83Å; P711-W760 HydrophobicContact CB-CD2 4.46Å; P711-W760 HydrophobicContact CB-CG 4.29Å; P711-W760 HydrophobicContact CG-CD2 4.14Å; P711-W760 HydrophobicContact CG-CG 4.48Å; P711-W760 HydrophobicContact CG-CZ2 4.03Å; L726-W760 HydrophobicContact CD2-CH2 4.14Å; L726-W760 HydrophobicContact CD2-CZ2 4.22Å; I732-W760 HydrophobicContact CD1-CH2 3.58Å; I732-W760 HydrophobicContact CD1-CZ2 3.97Å; I732-W760 HydrophobicContact CD1-CZ3 4.08Å; I732-W760 HydrophobicContact CG1-CH2 3.7Å; I732-W760 HydrophobicContact CG1-CZ3 3.86Å; I748-W760 HydrophobicContact CB-CE3 4.17Å; I748-W760 HydrophobicContact CD1-CD2 4.18Å; I748-W760 HydrophobicContact CD1-CE3 3.97Å; I748-W760 HydrophobicContact CG1-CD2 4.44Å; I748-W760 HydrophobicContact CG1-CE3 3.74Å; I748-W760 HydrophobicContact CG1-CZ3 4.12Å; T749-W760 WeakPolarHBondContact O-CA 3.45Å; C750-W760 HydrophobicContact CB-CD2 4.45Å; C750-W760 HydrophobicContact CB-CE3 4.08Å; C750-W760 HydrophobicContact CB-CH2 3.79Å; C750-W760 HydrophobicContact CB-CZ2 4.2Å; C750-W760 HydrophobicContact CB-CZ3 3.75Å; C750-W760 VanDerWaalsContact N-CE3 3.31Å; W760-S762 PolarHBondContact O-N 2.67Å
761T87.6Confident80.8Confident75 Ų7572.4 Ų72.446%0.4638%0.375SS..SBendtrans-59.7-23.6179.3460000114.7T749 Y751T749-T761 PolarHBondContact N-OG1 2.96Å; T749-T761 PolarHBondContact O-N 2.04Å; T749-T761 PolarHBondContact O-OG1 3.06Å; Y751-T761 HydrophobicContact CD1-CG2 3.66Å; Y751-T761 HydrophobicContact CE1-CG2 4.14Å; Y751-T761 HydrophobicContact CG-CG2 4.48Å
762S84.1Confident79.9Confident53 Ų5370 Ų7037%0.37138%0.375SS..SBendtrans-158.3169-177.652.10000111.9I748 W760I748-S762 VanDerWaalsContact CG2-OG 3.32Å; I748-S762 WeakPolarHBondContact CG2-OG 3.06Å; W760-S762 PolarHBondContact O-N 2.67Å
763R84.3Confident79.4Confident229 Ų22968.4 Ų68.486%0.86436%0.357SS*.PPolyproline II helixtrans-77.3157.7174-67.7-178-73.6-150.2-2.4110.7
764L86.8Confident79.4Confident51 Ų5163.7 Ų63.727%0.26734%0.34SS..PPolyproline II helixtrans-49.8141174.9-68-178.3000112.1P711 V714 Y734 I748P711-L764 HydrophobicContact CB-CD2 4.09Å; P711-L764 WeakPolarHBondContact O-CD1 3.28Å; V714-L764 HydrophobicContact CG2-CB 3.89Å; V714-L764 HydrophobicContact CG2-CD1 3.94Å; V714-L764 HydrophobicContact CG2-CD2 4.07Å; V714-L764 HydrophobicContact CG2-CG 4.2Å; Y734-L764 HydrophobicContact CE1-CD2 4.32Å; Y734-L764 HydrophobicContact CE2-CD2 4.16Å; Y734-L764 VanDerWaalsContact OH-CD2 3.24Å; Y734-L764 WeakPolarHBondContact OH-CD2 3.25Å; I748-L764 HydrophobicContact CD1-CD2 4.3Å
765P87.2Confident79.8Confident1 Ų156.4 Ų56.41%0.00631%0.306CS..PPolyproline II helixtrans-72.2165.3166.931.8-34.2000111.2V714 Y734 M742V714-P765 VanDerWaalsContact CG1-O 3.24Å; V714-P765 WeakPolarHBondContact CG1-O 3.24Å; V714-P765 HydrophobicContact CG2-CG 4.48Å; V714-P765 VanDerWaalsContact CG2-O 3.25Å; V714-P765 WeakPolarHBondContact CG2-O 3.24Å; Y734-P765 HydrophobicContact CD2-CG 4.11Å; Y734-P765 HydrophobicContact CG-CG 3.98Å; M742-P765 HydrophobicContact CG-CB 3.94Å; M742-P765 HydrophobicContact SD-CB 4.05Å; M742-P765 HydrophobicContact SD-CG 4.37Å
766H87.3Confident80.9Confident122 Ų12257.4 Ų57.457%0.56530%0.301SS*.EExtended strand (participates in β ladder)trans-115143.8169.8-62.8-65.9000110.6Q743Q743-H766 PolarHBondContact N-O 3.41Å; Q743-H766 PolarHBondContact O-N 3.14Å
767C87Confident81.4Confident18 Ų1859 Ų5912%0.12231%0.307CS..EExtended strand (participates in β ladder)trans-103113.9169.9-67.90000108.8H716 C736 F740H716-C767 HydrophobicContact CB-CB 4.4Å; C736-C767 WeakPolarHBondContact CA-SG 3.47Å; C736-C767 HydrophobicContact CB-CB 3.86Å; C736-C767 WeakPolarHBondContact CB-SG 3.19Å; C736-C767 VanDerWaalsContact SG-CA 3.57Å; C736-C767 WeakPolarHBondContact SG-CB 3.39Å; C736-C767 CovalentContact SG-SG 2.04Å; C736-C767 PolarHBondContact SG-SG 2.91Å; F740-C767 HydrophobicContact CB-CB 4.11Å; F740-C767 HydrophobicContact CD1-CB 4.47Å
768V82Confident81.5Confident34 Ų3458.3 Ų58.321%0.20630%0.303CS..EExtended strand (participates in β ladder)trans-106.5141.9-179.8-670000109.7F740 I741 V773F740-V768 CarbonylContact C-O 3.56Å; F740-V768 VanDerWaalsContact CA-O 3.25Å; F740-V768 WeakPolarHBondContact CA-O 3.37Å; I741-V768 PolarHBondContact N-O 2.79Å; I741-V768 WeakPolarHBondContact O-CG2 3.37Å; I741-V768 PolarHBondContact O-N 2.95Å; V768-V773 HydrophobicContact CG2-CG1 3.86Å; V768-V773 HydrophobicContact CG2-CG2 3.99Å
769S76.2Confident81.3Confident40 Ų4059 Ų5928%0.2831%0.313SS..EExtended strand (participates in β ladder)trans-67.1145-177.959.80000111.1G739 D771 S772 V773G739-S769 WeakPolarHBondContact O-CA 3.22Å; S769-D771 PolarHBondContact O-N 3.46Å; S769-S772 PolarHBondContact N-OG 2.83Å; S769-S772 PolarHBondContact O-N 2.79Å; S769-S772 PolarHBondContact O-OG 3.36Å; S769-S772 PolarHBondContact OG-OG 2.71Å; S769-V773 WeakPolarHBondContact O-CG2 3.44Å
770E71.5Confident81.2Confident79 Ų7961.5 Ų61.537%0.36932%0.324SS..Hα-helixtrans-53.2-39.8179.3-77.1170.3-145.200112.1G739 I741 S772 V773 S774 L794G739-E770 WeakPolarHBondContact CA-OE1 3.04Å; G739-E770 PolarHBondContact N-OE1 3.44Å; G739-E770 PolarHBondContact O-N 2.04Å; I741-E770 HydrophobicContact CD1-CG 3.99Å; I741-E770 HydrophobicContact CG1-CG 3.78Å; E770-S772 VanDerWaalsContact C-N 3.28Å; E770-S772 PolarHBondContact O-N 2.97Å; E770-V773 PolarHBondContact O-N 3.33Å; E770-S774 VanDerWaalsContact O-CB 3.3Å; E770-S774 WeakPolarHBondContact O-CB 3.22Å; E770-S774 PolarHBondContact O-N 2.93Å; E770-S774 PolarHBondContact O-OG 2.82Å; E770-L794 HydrophobicContact CB-CD2 4.23Å; E770-L794 HydrophobicContact CG-CD2 4.38Å
771D68.8Low81Confident116 Ų11659.9 Ų59.962%0.6232%0.319SS*.Hα-helixtrans-55.6-39.4174.6-63.2-40.7000112.8S769 S774 L792S769-D771 PolarHBondContact O-N 3.46Å; D771-S774 PolarHBondContact O-OG 3.36Å; D771-L792 HydrophobicContact CB-CD1 4.36Å; D771-L792 WeakPolarHBondContact OD1-CD1 3.43Å
772S67.7Low80.8Confident62 Ų6262.5 Ų62.543%0.43433%0.33SS..Hα-helixtrans-77.5-21.7-173.1700000115.1S769 E770S769-S772 PolarHBondContact N-OG 2.83Å; S769-S772 PolarHBondContact O-N 2.79Å; S769-S772 PolarHBondContact O-OG 3.36Å; S769-S772 PolarHBondContact OG-OG 2.71Å; E770-S772 VanDerWaalsContact C-N 3.28Å; E770-S772 PolarHBondContact O-N 2.97Å
773V71.2Confident80.7Confident5 Ų563.4 Ų63.43%0.0333%0.331CS..Hα-helixtrans-106-10.2176.9-89.30000113.3I741 V768 S769 E770 P795 I819 S823I741-V773 HydrophobicContact CB-CG2 4.42Å; I741-V773 HydrophobicContact CD1-CG2 4Å; V768-V773 HydrophobicContact CG2-CG1 3.86Å; V768-V773 HydrophobicContact CG2-CG2 3.99Å; S769-V773 WeakPolarHBondContact O-CG2 3.44Å; E770-V773 PolarHBondContact O-N 3.33Å; V773-P795 HydrophobicContact CB-CG 4.23Å; V773-P795 VanDerWaalsContact O-CG 3.28Å; V773-P795 WeakPolarHBondContact O-CG 3.39Å; V773-I819 HydrophobicContact CG1-CD1 4.2Å; V773-I819 HydrophobicContact CG1-CG1 4.27Å; V773-S823 WeakPolarHBondContact O-CB 3.35Å
774S78.4Confident80.7Confident6 Ų652.8 Ų52.84%0.04229%0.293CS..SBendtrans-74.7153.4173.7710000112.7E770 D771 L792 Y793 S823E770-S774 VanDerWaalsContact O-CB 3.3Å; E770-S774 WeakPolarHBondContact O-CB 3.22Å; E770-S774 PolarHBondContact O-N 2.93Å; E770-S774 PolarHBondContact O-OG 2.82Å; D771-S774 PolarHBondContact O-OG 3.36Å; S774-L792 WeakPolarHBondContact OG-CB 3.39Å; S774-Y793 CarbonylContact C-O 3.58Å; S774-Y793 WeakPolarHBondContact CA-O 3.4Å; S774-Y793 VanDerWaalsContact CB-O 3.3Å; S774-Y793 WeakPolarHBondContact CB-O 3.3Å; S774-S823 PolarHBondContact O-OG 3.41Å
775C81.4Confident80.7Confident3 Ų355.3 Ų55.32%0.0230%0.299CS..EExtended strand (participates in β ladder)trans-90.8133172.8-60.20000110.5L792 Y793 C817 W825C775-L792 WeakPolarHBondContact O-CA 3.45Å; C775-Y793 PolarHBondContact N-O 3.42Å; C775-Y793 PolarHBondContact O-N 2.77Å; C775-C817 HydrophobicContact CB-CB 3.8Å; C775-C817 WeakPolarHBondContact CB-SG 3.43Å; C775-C817 PolarHBondContact N-SG 2.87Å; C775-C817 VanDerWaalsContact N-SG 3.36Å; C775-C817 WeakPolarHBondContact SG-CA 3.45Å; C775-C817 WeakPolarHBondContact SG-CB 3.25Å; C775-C817 CovalentContact SG-SG 2.04Å; C775-C817 PolarHBondContact SG-SG 3.01Å; C775-W825 HydrophobicContact CB-CD2 4.21Å; C775-W825 HydrophobicContact CB-CH2 4.36Å; C775-W825 HydrophobicContact CB-CZ2 3.66Å
776E82Confident80.7Confident137 Ų13756.9 Ų56.964%0.6431%0.307SS*.EExtended strand (participates in β ladder)trans-65.6150.4169.2-65.1-159.413000111.5P778 L792 W825E776-P778 WeakPolarHBondContact O-CD 3.48Å; E776-L792 HydrophobicContact CG-CD2 4Å; E776-W825 PolarHBondContact O-NE1 2.9Å
777N83.1Confident80.5Confident43 Ų4356.1 Ų56.123%0.2331%0.306CS..PPolyproline II helixtrans-61.5121.6176.4-167.3-59.9000110.9G779 Q786 K790 R791 Y793N777-G779 PolarHBondContact O-N 3.16Å; N777-G779 PolarHBondContact OD1-N 3.43Å; N777-Q786 PolarHBondContact ND2-OE1 3.46Å; N777-K790 WeakPolarHBondContact CB-O 3.33Å; N777-K790 PolarHBondContact ND2-O 3.44Å; N777-R791 PolarHBondContact N-O 2.89Å; N777-R791 VanDerWaalsContact N-O 3.1Å; N777-Y793 HydrophobicContact CB-CE2 4.09Å; N777-Y793 PolarHBondContact ND2-OH 2.92Å; N777-Y793 VanDerWaalsContact ND2-OH 3.13Å
778P83Confident80.2Confident48 Ų4860.6 Ų60.631%0.31233%0.328SS..  trans-79.32.6-174.231.7-32.3000113.8E776 L799 F801 I815 W825 L829E776-P778 WeakPolarHBondContact O-CD 3.48Å; P778-L799 HydrophobicContact CG-CD2 4.2Å; P778-F801 HydrophobicContact CG-CZ 4.34Å; P778-I815 HydrophobicContact CG-CD1 3.79Å; P778-W825 HydrophobicContact CG-CD2 4.45Å; P778-W825 HydrophobicContact CG-CZ2 4.38Å; P778-L829 HydrophobicContact CG-CD1 4.45Å
779G81.6Confident80Confident28 Ų2863.3 Ų63.329%0.28935%0.348SS..  trans105.4-162.5175.800000114N777N777-G779 PolarHBondContact O-N 3.16Å; N777-G779 PolarHBondContact OD1-N 3.43Å
780L85.5Confident80.3Confident102 Ų10265 Ų6553%0.53435%0.351SS..  trans-118.1138.4179-67172.3000109Q786L780-Q786 HydrophobicContact CD2-CB 3.99Å; L780-Q786 HydrophobicContact CD2-CG 3.69Å
781P84.4Confident80.7Confident6 Ų670.9 Ų70.94%0.03937%0.369CS..  trans-70.9141.6174.131.6-35.9000110.7N783 G784 F801 P830P781-N783 PolarHBondContact O-N 2.83Å; P781-G784 PolarHBondContact O-N 3.13Å; P781-F801 HydrophobicContact CG-CD1 4.25Å; P781-P830 VanDerWaalsContact CB-O 3.24Å; P781-P830 WeakPolarHBondContact CB-O 3.45Å
782D82.4Confident81.2Confident129 Ų12967.6 Ų67.669%0.6935%0.352SS*.THydrogen-bonded Turntrans-56.2123.1174.9-78.6-43.9000110.4C832D782-C832 WeakPolarHBondContact O-CB 3.46Å
783N82.6Confident81.9Confident73 Ų7364.9 Ų64.939%0.3933%0.332SS..THydrogen-bonded Turntrans65.329.5-173-48.3-79.2000115.5P781 Y804 Y807 C832P781-N783 PolarHBondContact O-N 2.83Å; N783-Y804 HydrophobicContact CB-CD2 4.48Å; N783-Y804 WeakPolarHBondContact O-CB 3.33Å; N783-Y804 VanDerWaalsContact O-CD2 3.29Å; N783-Y804 WeakPolarHBondContact O-CD2 3.49Å; N783-Y804 PolarHBondContact O-N 2.91Å; N783-Y807 HydrophobicContact CB-CD1 3.68Å; N783-Y807 HydrophobicContact CB-CD2 4.07Å; N783-Y807 HydrophobicContact CB-CE1 3.6Å; N783-Y807 HydrophobicContact CB-CE2 4.01Å; N783-Y807 HydrophobicContact CB-CG 3.94Å; N783-Y807 VanDerWaalsContact CG-CE1 3.45Å; N783-Y807 PolarHBondContact OD1-OH 3.13Å; N783-C832 HydrophobicContact CB-CB 4.49Å
784G85Confident82.4Confident6 Ų667.7 Ų67.76%0.06235%0.346CS..EExtended strand (participates in β ladder)trans-143.2-174.6167.600000114.3P781 V802P781-G784 PolarHBondContact O-N 3.13Å; G784-V802 CarbonylContact C-O 3.48Å; G784-V802 VanDerWaalsContact CA-O 3.23Å; G784-V802 WeakPolarHBondContact CA-O 3.43Å
785Y85.5Confident82.3Confident104 Ų10469.6 Ų69.641%0.40836%0.358SS..EExtended strand (participates in β ladder)trans-142.3160.4-179.868.2-83.2000111.9F801 V802 Y804Y785-F801 WeakPolarHBondContact O-CA 3.23Å; Y785-V802 HydrophobicContact CD1-CB 4.22Å; Y785-V802 WeakPolarHBondContact CD1-O 3.29Å; Y785-V802 HydrophobicContact CE1-CB 3.71Å; Y785-V802 HydrophobicContact CE1-CG1 3.72Å; Y785-V802 HydrophobicContact CE2-CB 4.12Å; Y785-V802 HydrophobicContact CE2-CG2 4.39Å; Y785-V802 PolarHBondContact N-O 2.93Å; Y785-V802 PolarHBondContact O-N 2.98Å; Y785-Y804 AromaticContact CD1-CD1 3.91Å; Y785-Y804 HydrophobicContact CD1-CD1 3.91Å; Y785-Y804 AromaticContact CD1-CE1 3.56Å; Y785-Y804 HydrophobicContact CD1-CE1 3.56Å; Y785-Y804 HydrophobicContact CE1-CD1 4.32Å; Y785-Y804 HydrophobicContact CE1-CE1 4.28Å; Y785-Y804 HydrophobicContact CG-CE1 4.32Å
786Q88.1Confident82.2Confident34 Ų3471.3 Ų71.316%0.15938%0.377CS..EExtended strand (participates in β ladder)trans-99144.6174.669.1-172.6-5300110.9N777 L780 Y793 L799 T800 F801N777-Q786 PolarHBondContact ND2-OE1 3.46Å; L780-Q786 HydrophobicContact CD2-CB 3.99Å; L780-Q786 HydrophobicContact CD2-CG 3.69Å; Q786-Y793 PolarHBondContact OE1-OH 2.82Å; Q786-L799 HydrophobicContact CB-CD1 4.02Å; Q786-T800 WeakPolarHBondContact CA-O 2.98Å; Q786-F801 HydrophobicContact CB-CD1 4.03Å; Q786-F801 HydrophobicContact CB-CE1 4.15Å
787I83.6Confident82.4Confident106 Ų10667.8 Ų67.854%0.54436%0.36SS..SBendtrans-75.5-36.9-176.4-58.3-174000112.3T800 V802I787-T800 HydrophobicContact CD1-CG2 3.59Å; I787-T800 HydrophobicContact CG1-CG2 4.3Å; I787-T800 PolarHBondContact N-O 2.99Å; I787-V802 HydrophobicContact CD1-CG2 3.74Å; I787-V802 HydrophobicContact CG1-CG2 3.75Å
788L79.2Confident82.5Confident111 Ų11169.2 Ų69.258%0.58137%0.374SS*.SBendtrans-137.596.2-176-171.276.6000110.7K790 Y793 L799L788-K790 PolarHBondContact O-N 2.96Å; L788-Y793 PolarHBondContact O-OH 2.78Å; L788-L799 WeakPolarHBondContact O-CD1 3.41Å
789S79.4Confident82.6Confident92 Ų9267 Ų6764%0.64336%0.359SS*.  trans-80.7108.5-179.858.40000112.2
790K80.9Confident82.9Confident75 Ų7567.7 Ų67.733%0.32636%0.358SS..  trans-107.7160160-55.3-171.5-176.2-1740109.5N777 L788 L792 Y793 E797N777-K790 WeakPolarHBondContact CB-O 3.33Å; N777-K790 PolarHBondContact ND2-O 3.44Å; L788-K790 PolarHBondContact O-N 2.96Å; K790-L792 VanDerWaalsContact CB-O 3.26Å; K790-L792 WeakPolarHBondContact CB-O 3.48Å; K790-L792 WeakPolarHBondContact CD-O 3.31Å; K790-Y793 HydrophobicContact CB-CD1 4.19Å; K790-Y793 HydrophobicContact CB-CD2 4.3Å; K790-Y793 HydrophobicContact CB-CE1 3.82Å; K790-Y793 HydrophobicContact CB-CE2 3.94Å; K790-Y793 HydrophobicContact CB-CG 4.42Å; K790-Y793 HydrophobicContact CD-CD1 3.98Å; K790-Y793 HydrophobicContact CD-CE1 4.12Å; K790-Y793 HydrophobicContact CG-CD1 4.23Å; K790-Y793 HydrophobicContact CG-CE1 3.86Å; K790-Y793 PolarHBondContact N-OH 3Å; K790-Y793 WeakPolarHBondContact O-CE2 3.34Å; K790-Y793 PolarHBondContact O-OH 2.91Å; K790-E797 IonicContact NZ-OE1 3.04Å; K790-E797 PolarHBondContact NZ-OE1 3.06Å; K790-E797 IonicContact NZ-OE2 2.61Å; K790-E797 PolarHBondContact NZ-OE2 3.15Å
791R80Confident83.1Confident203 Ų20362.9 Ų62.977%0.76633%0.333SS*.SBendtrans-74.4-40.5168.5-177-177.4173.1-171.6-4.3111.6N777N777-R791 PolarHBondContact N-O 2.89Å; N777-R791 VanDerWaalsContact N-O 3.1Å
792L80.3Confident83.3Confident47 Ų4764.9 Ų64.925%0.24635%0.345CS..EExtended strand (participates in β ladder)trans-130.9142.1-176.5-63177000108.7D771 S774 C775 E776 K790D771-L792 HydrophobicContact CB-CD1 4.36Å; D771-L792 WeakPolarHBondContact OD1-CD1 3.43Å; S774-L792 WeakPolarHBondContact OG-CB 3.39Å; C775-L792 WeakPolarHBondContact O-CA 3.45Å; E776-L792 HydrophobicContact CG-CD2 4Å; K790-L792 VanDerWaalsContact CB-O 3.26Å; K790-L792 WeakPolarHBondContact CB-O 3.48Å; K790-L792 WeakPolarHBondContact CD-O 3.31Å
793Y82.6Confident83.5Confident4 Ų459.7 Ų59.72%0.01632%0.319CS..EExtended strand (participates in β ladder)trans-123.7129.6179.1-64.1-98.3000109.6S774 C775 N777 Q786 L788 K790 L799 C817 W825S774-Y793 CarbonylContact C-O 3.58Å; S774-Y793 WeakPolarHBondContact CA-O 3.4Å; S774-Y793 VanDerWaalsContact CB-O 3.3Å; S774-Y793 WeakPolarHBondContact CB-O 3.3Å; C775-Y793 PolarHBondContact N-O 3.42Å; C775-Y793 PolarHBondContact O-N 2.77Å; N777-Y793 HydrophobicContact CB-CE2 4.09Å; N777-Y793 PolarHBondContact ND2-OH 2.92Å; N777-Y793 VanDerWaalsContact ND2-OH 3.13Å; Q786-Y793 PolarHBondContact OE1-OH 2.82Å; L788-Y793 PolarHBondContact O-OH 2.78Å; K790-Y793 HydrophobicContact CB-CD1 4.19Å; K790-Y793 HydrophobicContact CB-CD2 4.3Å; K790-Y793 HydrophobicContact CB-CE1 3.82Å; K790-Y793 HydrophobicContact CB-CE2 3.94Å; K790-Y793 HydrophobicContact CB-CG 4.42Å; K790-Y793 HydrophobicContact CD-CD1 3.98Å; K790-Y793 HydrophobicContact CD-CE1 4.12Å; K790-Y793 HydrophobicContact CG-CD1 4.23Å; K790-Y793 HydrophobicContact CG-CE1 3.86Å; K790-Y793 PolarHBondContact N-OH 3Å; K790-Y793 WeakPolarHBondContact O-CE2 3.34Å; K790-Y793 PolarHBondContact O-OH 2.91Å; Y793-L799 HydrophobicContact CE1-CB 4.21Å; Y793-L799 HydrophobicContact CE1-CD1 4.04Å; Y793-L799 HydrophobicContact CE1-CG 4.49Å; Y793-L799 HydrophobicContact CE2-CD2 4.09Å; Y793-L799 VanDerWaalsContact OH-CD1 3.28Å; Y793-L799 WeakPolarHBondContact OH-CD1 3.49Å; Y793-C817 PolarHBondContact O-SG 3.4Å; Y793-W825 HydrophobicContact CD1-CH2 4.13Å; Y793-W825 AromaticContact CD2-CH2 3.58Å; Y793-W825 HydrophobicContact CD2-CH2 3.58Å; Y793-W825 AromaticContact CD2-CZ2 3.57Å; Y793-W825 HydrophobicContact CD2-CZ2 3.57Å; Y793-W825 HydrophobicContact CE2-CH2 4.2Å; Y793-W825 HydrophobicContact CE2-CZ2 4.17Å; Y793-W825 AromaticContact CG-CH2 3.54Å; Y793-W825 HydrophobicContact CG-CH2 3.54Å; Y793-W825 AromaticContact CG-CZ2 3.99Å; Y793-W825 HydrophobicContact CG-CZ2 3.99Å
794L80.7Confident83.5Confident64 Ų6462.2 Ų62.234%0.33532%0.323SS..  trans-72154.3-177.5-67.1174.2000111.3I741 E770 G796 E797I741-L794 HydrophobicContact CD1-CD2 4.33Å; E770-L794 HydrophobicContact CB-CD2 4.23Å; E770-L794 HydrophobicContact CG-CD2 4.38Å; L794-G796 PolarHBondContact O-N 2.85Å; L794-G796 VanDerWaalsContact O-N 3.16Å; L794-E797 HydrophobicContact CB-CG 4.16Å; L794-E797 PolarHBondContact N-OE2 3.14Å; L794-E797 WeakPolarHBondContact O-CB 3.02Å; L794-E797 PolarHBondContact O-N 3.34Å
795P77.4Confident83.3Confident46 Ų4671.7 Ų71.730%0.29937%0.366SS..THydrogen-bonded Turntrans-49.6122.9173.3-30.136.5000112.3V773 I819V773-P795 HydrophobicContact CB-CG 4.23Å; V773-P795 VanDerWaalsContact O-CG 3.28Å; V773-P795 WeakPolarHBondContact O-CG 3.39Å; P795-I819 HydrophobicContact CB-CB 4.2Å; P795-I819 HydrophobicContact CG-CB 4.35Å; P795-I819 HydrophobicContact CG-CG1 4.47Å
796G78.9Confident82.7Confident40 Ų4069.5 Ų69.541%0.41238%0.375SS..THydrogen-bonded Turntrans96.3-11.8-176.900000115.8L794 K816 C817L794-G796 PolarHBondContact O-N 2.85Å; L794-G796 VanDerWaalsContact O-N 3.16Å; G796-K816 WeakPolarHBondContact O-CE 3.46Å; G796-C817 PolarHBondContact N-O 3.1Å
797E85.3Confident82.4Confident62 Ų6271.8 Ų71.829%0.2938%0.383SS..  trans-74.4150.6171.9-63.6-161.9122.700112K790 L794 K816 C817K790-E797 IonicContact NZ-OE1 3.04Å; K790-E797 PolarHBondContact NZ-OE1 3.06Å; K790-E797 IonicContact NZ-OE2 2.61Å; K790-E797 PolarHBondContact NZ-OE2 3.15Å; L794-E797 HydrophobicContact CB-CG 4.16Å; L794-E797 PolarHBondContact N-OE2 3.14Å; L794-E797 WeakPolarHBondContact O-CB 3.02Å; L794-E797 PolarHBondContact O-N 3.34Å; E797-K816 WeakPolarHBondContact O-CA 3.3Å; E797-C817 PolarHBondContact O-N 2.98Å
798S86.1Confident82.2Confident73 Ų7372.5 Ų72.551%0.5138%0.384SS..EExtended strand (participates in β ladder)trans-120.8135.8-178.957.40000112.6I815S798-I815 CarbonylContact C-O 3.06Å; S798-I815 VanDerWaalsContact CA-O 3.22Å; S798-I815 WeakPolarHBondContact CA-O 3.49Å
799L86Confident82.5Confident1 Ų169.8 Ų69.81%0.00537%0.37CS..EExtended strand (participates in β ladder)trans-108.5120.2177.7178.554.2000110.5P778 Q786 L788 Y793 F801 A814 I815 W825P778-L799 HydrophobicContact CG-CD2 4.2Å; Q786-L799 HydrophobicContact CB-CD1 4.02Å; L788-L799 WeakPolarHBondContact O-CD1 3.41Å; Y793-L799 HydrophobicContact CE1-CB 4.21Å; Y793-L799 HydrophobicContact CE1-CD1 4.04Å; Y793-L799 HydrophobicContact CE1-CG 4.49Å; Y793-L799 HydrophobicContact CE2-CD2 4.09Å; Y793-L799 VanDerWaalsContact OH-CD1 3.28Å; Y793-L799 WeakPolarHBondContact OH-CD1 3.49Å; L799-F801 HydrophobicContact CD2-CE1 4.03Å; L799-F801 HydrophobicContact CD2-CZ 3.68Å; L799-F801 HydrophobicContact CG-CE1 4.13Å; L799-F801 HydrophobicContact CG-CE2 4.28Å; L799-F801 HydrophobicContact CG-CZ 3.8Å; L799-A814 CarbonylContact O-C 3.54Å; L799-A814 WeakPolarHBondContact O-CA 3.18Å; L799-I815 HydrophobicContact CB-CG1 4.32Å; L799-I815 PolarHBondContact N-O 3.22Å; L799-I815 PolarHBondContact O-N 2.93Å; L799-W825 HydrophobicContact CB-CH2 3.95Å; L799-W825 HydrophobicContact CB-CZ3 4.03Å; L799-W825 HydrophobicContact CD2-CH2 4.42Å
800T87.6Confident82.7Confident44 Ų4469.7 Ų69.727%0.2736%0.361SS..EExtended strand (participates in β ladder)trans-102.6138-177.3-45.90000112Q786 I787 V813 A814Q786-T800 WeakPolarHBondContact CA-O 2.98Å; I787-T800 HydrophobicContact CD1-CG2 3.59Å; I787-T800 HydrophobicContact CG1-CG2 4.3Å; I787-T800 PolarHBondContact N-O 2.99Å; T800-V813 WeakPolarHBondContact CA-O 3.42Å; T800-V813 HydrophobicContact CG2-CG2 4.27Å; T800-V813 WeakPolarHBondContact CG2-O 3.3Å; T800-A814 HydrophobicContact CG2-CB 4.18Å
801F88.4Confident82.8Confident1 Ų168.8 Ų68.80%0.00437%0.373CS..EExtended strand (participates in β ladder)trans-115153.3179.7-55.9-79.8000112.5P778 P781 Y785 Q786 L799 L809 V813 I815 L829 P830P778-F801 HydrophobicContact CG-CZ 4.34Å; P781-F801 HydrophobicContact CG-CD1 4.25Å; Y785-F801 WeakPolarHBondContact O-CA 3.23Å; Q786-F801 HydrophobicContact CB-CD1 4.03Å; Q786-F801 HydrophobicContact CB-CE1 4.15Å; L799-F801 HydrophobicContact CD2-CE1 4.03Å; L799-F801 HydrophobicContact CD2-CZ 3.68Å; L799-F801 HydrophobicContact CG-CE1 4.13Å; L799-F801 HydrophobicContact CG-CE2 4.28Å; L799-F801 HydrophobicContact CG-CZ 3.8Å; F801-L809 HydrophobicContact CB-CD1 4.18Å; F801-V813 PolarHBondContact N-O 3.47Å; F801-I815 HydrophobicContact CE2-CD1 3.68Å; F801-I815 HydrophobicContact CE2-CG1 3.83Å; F801-I815 HydrophobicContact CZ-CD1 3.95Å; F801-I815 HydrophobicContact CZ-CG1 4.42Å; F801-L829 HydrophobicContact CD1-CD1 4.4Å; F801-L829 HydrophobicContact CE1-CD1 3.62Å; F801-L829 HydrophobicContact CE2-CD1 4.2Å; F801-L829 HydrophobicContact CZ-CD1 3.5Å; F801-L829 VanDerWaalsContact CZ-CD1 3.5Å; F801-P830 HydrophobicContact CB-CG 3.89Å; F801-P830 HydrophobicContact CD2-CG 3.46Å; F801-P830 VanDerWaalsContact CD2-CG 3.46Å; F801-P830 HydrophobicContact CE2-CG 4.13Å; F801-P830 HydrophobicContact CG-CG 3.79Å
802V88.3Confident83.2Confident47 Ų4763.7 Ų63.729%0.28536%0.357SS..EExtended strand (participates in β ladder)trans-142.3135.5178.8-174.60000109.3G784 Y785 I787G784-V802 CarbonylContact C-O 3.48Å; G784-V802 VanDerWaalsContact CA-O 3.23Å; G784-V802 WeakPolarHBondContact CA-O 3.43Å; Y785-V802 HydrophobicContact CD1-CB 4.22Å; Y785-V802 WeakPolarHBondContact CD1-O 3.29Å; Y785-V802 HydrophobicContact CE1-CB 3.71Å; Y785-V802 HydrophobicContact CE1-CG1 3.72Å; Y785-V802 HydrophobicContact CE2-CB 4.12Å; Y785-V802 HydrophobicContact CE2-CG2 4.39Å; Y785-V802 PolarHBondContact N-O 2.93Å; Y785-V802 PolarHBondContact O-N 2.98Å; I787-V802 HydrophobicContact CD1-CG2 3.74Å; I787-V802 HydrophobicContact CG1-CG2 3.75Å
803C87.6Confident83.4Confident21 Ų2165.8 Ų65.814%0.14237%0.372CS..EExtended strand (participates in β ladder)trans-85.1154.3177.1-59.40000112.6Y807 L809 C832C803-Y807 WeakPolarHBondContact CB-O 3.5Å; C803-L809 VanDerWaalsContact SG-CA 3.56Å; C803-L809 VanDerWaalsContact SG-CB 3.52Å; C803-C832 WeakPolarHBondContact CA-SG 3.41Å; C803-C832 HydrophobicContact CB-CB 3.68Å; C803-C832 WeakPolarHBondContact CB-SG 3.38Å; C803-C832 VanDerWaalsContact SG-CA 3.53Å; C803-C832 WeakPolarHBondContact SG-CB 3.47Å; C803-C832 CovalentContact SG-SG 2.03Å; C803-C832 PolarHBondContact SG-SG 2.83Å
804Y83.7Confident83.7Confident125 Ų12567.3 Ų67.349%0.4939%0.385SS..PPolyproline II helixtrans-71.5158170.8-64.7-49.6000111.7N783 Y785 G806 Y807N783-Y804 HydrophobicContact CB-CD2 4.48Å; N783-Y804 WeakPolarHBondContact O-CB 3.33Å; N783-Y804 VanDerWaalsContact O-CD2 3.29Å; N783-Y804 WeakPolarHBondContact O-CD2 3.49Å; N783-Y804 PolarHBondContact O-N 2.91Å; Y785-Y804 AromaticContact CD1-CD1 3.91Å; Y785-Y804 HydrophobicContact CD1-CD1 3.91Å; Y785-Y804 AromaticContact CD1-CE1 3.56Å; Y785-Y804 HydrophobicContact CD1-CE1 3.56Å; Y785-Y804 HydrophobicContact CE1-CD1 4.32Å; Y785-Y804 HydrophobicContact CE1-CE1 4.28Å; Y785-Y804 HydrophobicContact CG-CE1 4.32Å; Y804-G806 PolarHBondContact O-N 2.9Å; Y804-Y807 PolarHBondContact O-N 3.07Å; Y804-Y807 VanDerWaalsContact O-N 3.1Å
805Q79.9Confident84.1Confident206 Ų20664.3 Ų64.396%0.96337%0.37SS*.THydrogen-bonded Turntrans-58.7121.6-174.1-169.9174.79.700111.8
806G72.9Confident84.6Confident57 Ų5767.3 Ų67.359%0.58838%0.378SS*.THydrogen-bonded Turntrans105.7-3.5-175.400000115Y804Y804-G806 PolarHBondContact O-N 2.9Å
807Y80.9Confident84.9Confident82 Ų8265.5 Ų65.532%0.32236%0.359SS..EExtended strand (participates in β ladder)trans-119.5140177.6-62.2-105.2000110.7N783 C803 Y804 C832 Q833 A834N783-Y807 HydrophobicContact CB-CD1 3.68Å; N783-Y807 HydrophobicContact CB-CD2 4.07Å; N783-Y807 HydrophobicContact CB-CE1 3.6Å; N783-Y807 HydrophobicContact CB-CE2 4.01Å; N783-Y807 HydrophobicContact CB-CG 3.94Å; N783-Y807 VanDerWaalsContact CG-CE1 3.45Å; N783-Y807 PolarHBondContact OD1-OH 3.13Å; C803-Y807 WeakPolarHBondContact CB-O 3.5Å; Y804-Y807 PolarHBondContact O-N 3.07Å; Y804-Y807 VanDerWaalsContact O-N 3.1Å; Y807-C832 WeakPolarHBondContact CD1-O 3.5Å; Y807-Q833 CarbonylContact C-O 3.46Å; Y807-Q833 WeakPolarHBondContact CA-O 3.39Å; Y807-A834 HydrophobicContact CD1-CB 3.87Å; Y807-A834 VanDerWaalsContact CD1-N 3.31Å; Y807-A834 HydrophobicContact CE1-CB 3.64Å
808E80.9Confident84.7Confident121 Ų12165.7 Ų65.757%0.56536%0.362SS*.EExtended strand (participates in β ladder)trans-102.8144.3176.6-70.4178.4-159.300111.1C832 Q833 N835E808-C832 WeakPolarHBondContact O-CA 3.42Å; E808-Q833 PolarHBondContact N-O 3.06Å; E808-Q833 PolarHBondContact O-N 3.39Å; E808-N835 PolarHBondContact OE1-ND2 2.8Å
809L85.3Confident84.4Confident55 Ų5566.9 Ų66.929%0.28836%0.361SS..EExtended strand (participates in β ladder)trans-87.4119-176.3-167.1149.7000111F801 C803 V813 P830F801-L809 HydrophobicContact CB-CD1 4.18Å; C803-L809 VanDerWaalsContact SG-CA 3.56Å; C803-L809 VanDerWaalsContact SG-CB 3.52Å; L809-V813 HydrophobicContact CD1-CG2 4.47Å; L809-P830 HydrophobicContact CD1-CG 4.46Å; L809-P830 HydrophobicContact CD2-CB 3.79Å; L809-P830 HydrophobicContact CD2-CG 4.43Å; L809-P830 HydrophobicContact CG-CB 4.09Å
810I83.3Confident83.5Confident90 Ų9067.9 Ų67.946%0.46237%0.371SS..EExtended strand (participates in β ladder)trans-110.1101.9177.8-55.4179.4000108.3L831 Q833I810-L831 PolarHBondContact N-O 2.89Å; I810-L831 PolarHBondContact O-N 2.9Å; I810-Q833 HydrophobicContact CD1-CB 3.71Å; I810-Q833 HydrophobicContact CD1-CG 4.49Å
811G83.7Confident82.3Confident55 Ų5572.7 Ų72.757%0.56740%0.396SS*.SBendtrans145.6-167.3179.800000112.8
812E87.2Confident81.5Confident96 Ų9677.9 Ų77.945%0.44943%0.429SS..  trans-71.1127.2169-62.9-164.9139.300109.5A814 I815 S826E812-A814 PolarHBondContact O-N 3.21Å; E812-I815 HydrophobicContact CB-CG2 4.05Å; E812-S826 PolarHBondContact OE2-OG 2.03Å
813V85.5Confident81Confident91 Ų9176.8 Ų76.855%0.55242%0.424SS*.SBendtrans-65.7-26.4177.267.80000112.4T800 F801 L809T800-V813 WeakPolarHBondContact CA-O 3.42Å; T800-V813 HydrophobicContact CG2-CG2 4.27Å; T800-V813 WeakPolarHBondContact CG2-O 3.3Å; F801-V813 PolarHBondContact N-O 3.47Å; L809-V813 HydrophobicContact CD1-CG2 4.47Å
814A87.8Confident80.8Confident36 Ų3680.9 Ų80.930%0.29844%0.439SS..EExtended strand (participates in β ladder)trans-142.6129170.800000111.1L799 T800 E812L799-A814 CarbonylContact O-C 3.54Å; L799-A814 WeakPolarHBondContact O-CA 3.18Å; T800-A814 HydrophobicContact CG2-CB 4.18Å; E812-A814 PolarHBondContact O-N 3.21Å
815I88.7Confident81Confident1 Ų176.9 Ų76.91%0.00542%0.423CS..EExtended strand (participates in β ladder)trans-101.6151.917659.3-178000110.2P778 S798 L799 F801 E812 W825 S826P778-I815 HydrophobicContact CG-CD1 3.79Å; S798-I815 CarbonylContact C-O 3.06Å; S798-I815 VanDerWaalsContact CA-O 3.22Å; S798-I815 WeakPolarHBondContact CA-O 3.49Å; L799-I815 HydrophobicContact CB-CG1 4.32Å; L799-I815 PolarHBondContact N-O 3.22Å; L799-I815 PolarHBondContact O-N 2.93Å; F801-I815 HydrophobicContact CE2-CD1 3.68Å; F801-I815 HydrophobicContact CE2-CG1 3.83Å; F801-I815 HydrophobicContact CZ-CD1 3.95Å; F801-I815 HydrophobicContact CZ-CG1 4.42Å; E812-I815 HydrophobicContact CB-CG2 4.05Å; I815-W825 HydrophobicContact CB-CE3 4.16Å; I815-W825 HydrophobicContact CD1-CB 4.16Å; I815-W825 HydrophobicContact CD1-CD2 3.86Å; I815-W825 HydrophobicContact CD1-CE3 3.84Å; I815-W825 HydrophobicContact CD1-CG 4.01Å; I815-W825 HydrophobicContact CD1-CZ3 4.49Å; I815-W825 HydrophobicContact CG1-CD2 4.16Å; I815-W825 HydrophobicContact CG1-CE3 3.59Å; I815-W825 HydrophobicContact CG1-CZ3 4.03Å; I815-S826 WeakPolarHBondContact CA-OG 3.34Å
816K87.8Confident81.4Confident110 Ų11069.5 Ų69.548%0.47839%0.394SS..EExtended strand (participates in β ladder)trans-118.4138.4-174.5-173.3171.8179.6169.10111.4G796 E797 I818 W825 S826G796-K816 WeakPolarHBondContact O-CE 3.46Å; E797-K816 WeakPolarHBondContact O-CA 3.3Å; K816-I818 PolarHBondContact O-N 2.69Å; K816-W825 VanDerWaalsContact C-CE3 3.48Å; K816-S826 PolarHBondContact N-OG 2.88Å; K816-S826 PolarHBondContact O-N 2.92Å
817C86.6Confident81.9Confident2 Ų267.5 Ų67.51%0.01437%0.374CS..EExtended strand (participates in β ladder)trans-73.7123.8174.5-178.40000110.3C775 Y793 G796 E797 W825C775-C817 HydrophobicContact CB-CB 3.8Å; C775-C817 WeakPolarHBondContact CB-SG 3.43Å; C775-C817 PolarHBondContact N-SG 2.87Å; C775-C817 VanDerWaalsContact N-SG 3.36Å; C775-C817 WeakPolarHBondContact SG-CA 3.45Å; C775-C817 WeakPolarHBondContact SG-CB 3.25Å; C775-C817 CovalentContact SG-SG 2.04Å; C775-C817 PolarHBondContact SG-SG 3.01Å; Y793-C817 PolarHBondContact O-SG 3.4Å; G796-C817 PolarHBondContact N-O 3.1Å; E797-C817 PolarHBondContact O-N 2.98Å; C817-W825 HydrophobicContact CB-CE3 4.33Å; C817-W825 HydrophobicContact CB-CH2 4.37Å; C817-W825 HydrophobicContact CB-CZ3 4.07Å
818I81Confident82.1Confident66 Ų6669 Ų6934%0.33839%0.393SS..EExtended strand (participates in β ladder)trans-109.9135.1179.9-56.5-178.6000108.8K816 F824K816-I818 PolarHBondContact O-N 2.69Å; I818-F824 WeakPolarHBondContact CA-O 3.06Å; I818-F824 HydrophobicContact CB-CD2 4.42Å; I818-F824 HydrophobicContact CB-CE1 4.22Å; I818-F824 HydrophobicContact CB-CE2 4.09Å; I818-F824 HydrophobicContact CB-CZ 3.99Å; I818-F824 WeakPolarHBondContact CB-O 3.06Å; I818-F824 HydrophobicContact CD1-CE2 4Å; I818-F824 HydrophobicContact CD1-CZ 4.4Å; I818-F824 HydrophobicContact CG2-CE1 3.9Å; I818-F824 HydrophobicContact CG2-CE2 4.19Å; I818-F824 HydrophobicContact CG2-CZ 3.63Å; I818-F824 PolarHBondContact N-O 2.91Å; I818-F824 PolarHBondContact O-N 3.29Å
819I79.5Confident82.3Confident98 Ų9866 Ų6650%0.50338%0.381SS..  trans-70.1133.5178.5-165.7167.4000111.1V773 P795V773-I819 HydrophobicContact CG1-CD1 4.2Å; V773-I819 HydrophobicContact CG1-CG1 4.27Å; P795-I819 HydrophobicContact CB-CB 4.2Å; P795-I819 HydrophobicContact CG-CB 4.35Å; P795-I819 HydrophobicContact CG-CG1 4.47Å
820G66Low82.3Confident21 Ų2163.4 Ų63.422%0.21637%0.368CS..SBendtrans-169.9-178.3-178.800000110.2P822 S823G820-P822 CarbonylContact C-O 3.58Å; G820-P822 WeakPolarHBondContact CA-O 3.44Å; G820-P822 CarbonylContact O-C 3.48Å; G820-S823 PolarHBondContact O-N 3.39Å; G820-S823 VanDerWaalsContact O-N 3.14Å
821N63.2Low82.4Confident146 Ų14664.5 Ų64.578%0.78137%0.374SS*.SBendtrans-123.993.1171.6-81.5-7000109.6
822P71.6Confident82.5Confident110 Ų11062.5 Ų62.571%0.71435%0.351SS*.SBendcis-71.5166.8-5.332.6-36.9000113.2G820G820-P822 CarbonylContact C-O 3.58Å; G820-P822 WeakPolarHBondContact CA-O 3.44Å; G820-P822 CarbonylContact O-C 3.48Å
823S78.5Confident82.3Confident24 Ų2463.9 Ų63.917%0.16836%0.357CS..  trans-57.6147.4164.548.90000110.9V773 S774 G820V773-S823 WeakPolarHBondContact O-CB 3.35Å; S774-S823 PolarHBondContact O-OG 3.41Å; G820-S823 PolarHBondContact O-N 3.39Å; G820-S823 VanDerWaalsContact O-N 3.14Å
824F83.7Confident81.7Confident107 Ų10761.4 Ų61.447%0.46935%0.347SS..EExtended strand (participates in β ladder)trans-146.6157.1-175.167.1-83.7000112.9I818I818-F824 WeakPolarHBondContact CA-O 3.06Å; I818-F824 HydrophobicContact CB-CD2 4.42Å; I818-F824 HydrophobicContact CB-CE1 4.22Å; I818-F824 HydrophobicContact CB-CE2 4.09Å; I818-F824 HydrophobicContact CB-CZ 3.99Å; I818-F824 WeakPolarHBondContact CB-O 3.06Å; I818-F824 HydrophobicContact CD1-CE2 4Å; I818-F824 HydrophobicContact CD1-CZ 4.4Å; I818-F824 HydrophobicContact CG2-CE1 3.9Å; I818-F824 HydrophobicContact CG2-CE2 4.19Å; I818-F824 HydrophobicContact CG2-CZ 3.63Å; I818-F824 PolarHBondContact N-O 2.91Å; I818-F824 PolarHBondContact O-N 3.29Å
825W87.3Confident80.4Confident40 Ų4064.3 Ų64.315%0.15236%0.357CS..EExtended strand (participates in β ladder)trans-83.1145.5178.8-69104.8000112.1C775 E776 P778 Y793 L799 I815 K816 C817 G827C775-W825 HydrophobicContact CB-CD2 4.21Å; C775-W825 HydrophobicContact CB-CH2 4.36Å; C775-W825 HydrophobicContact CB-CZ2 3.66Å; E776-W825 PolarHBondContact O-NE1 2.9Å; P778-W825 HydrophobicContact CG-CD2 4.45Å; P778-W825 HydrophobicContact CG-CZ2 4.38Å; Y793-W825 HydrophobicContact CD1-CH2 4.13Å; Y793-W825 AromaticContact CD2-CH2 3.58Å; Y793-W825 HydrophobicContact CD2-CH2 3.58Å; Y793-W825 AromaticContact CD2-CZ2 3.57Å; Y793-W825 HydrophobicContact CD2-CZ2 3.57Å; Y793-W825 HydrophobicContact CE2-CH2 4.2Å; Y793-W825 HydrophobicContact CE2-CZ2 4.17Å; Y793-W825 AromaticContact CG-CH2 3.54Å; Y793-W825 HydrophobicContact CG-CH2 3.54Å; Y793-W825 AromaticContact CG-CZ2 3.99Å; Y793-W825 HydrophobicContact CG-CZ2 3.99Å; L799-W825 HydrophobicContact CB-CH2 3.95Å; L799-W825 HydrophobicContact CB-CZ3 4.03Å; L799-W825 HydrophobicContact CD2-CH2 4.42Å; I815-W825 HydrophobicContact CB-CE3 4.16Å; I815-W825 HydrophobicContact CD1-CB 4.16Å; I815-W825 HydrophobicContact CD1-CD2 3.86Å; I815-W825 HydrophobicContact CD1-CE3 3.84Å; I815-W825 HydrophobicContact CD1-CG 4.01Å; I815-W825 HydrophobicContact CD1-CZ3 4.49Å; I815-W825 HydrophobicContact CG1-CD2 4.16Å; I815-W825 HydrophobicContact CG1-CE3 3.59Å; I815-W825 HydrophobicContact CG1-CZ3 4.03Å; K816-W825 VanDerWaalsContact C-CE3 3.48Å; C817-W825 HydrophobicContact CB-CE3 4.33Å; C817-W825 HydrophobicContact CB-CH2 4.37Å; C817-W825 HydrophobicContact CB-CZ3 4.07Å; W825-G827 PolarHBondContact O-N 2.95Å
826S87.9Confident78.7Confident51 Ų5175.1 Ų75.136%0.35740%0.398SS..SBendtrans-56.9-30.2179.961.50000114.5E812 I815 K816E812-S826 PolarHBondContact OE2-OG 2.03Å; I815-S826 WeakPolarHBondContact CA-OG 3.34Å; K816-S826 PolarHBondContact N-OG 2.88Å; K816-S826 PolarHBondContact O-N 2.92Å
827G83.9Confident76.5Confident15 Ų1577.1 Ų77.116%0.15541%0.414CS..SBendtrans-150.5170.6179.900000111.6W825W825-G827 PolarHBondContact O-N 2.95Å
828P84.8Confident74.1Confident113 Ų11382.4 Ų82.473%0.73445%0.45SS*.PPolyproline II helixtrans-69.7164.9175.531.8-36.2000111.8
829L85.1Confident72Confident58 Ų5889.9 Ų89.930%0.30448%0.48SS..PPolyproline II helixtrans-57.5127.4169.4-169.874.1000109.6P778 F801P778-L829 HydrophobicContact CG-CD1 4.45Å; F801-L829 HydrophobicContact CD1-CD1 4.4Å; F801-L829 HydrophobicContact CE1-CD1 3.62Å; F801-L829 HydrophobicContact CE2-CD1 4.2Å; F801-L829 HydrophobicContact CZ-CD1 3.5Å; F801-L829 VanDerWaalsContact CZ-CD1 3.5Å
830P86.1Confident69.9Low2 Ų288.3 Ų88.31%0.01349%0.488CS..PPolyproline II helixtrans-70162.2178.929.8-35.4000111.6P781 F801 L809P781-P830 VanDerWaalsContact CB-O 3.24Å; P781-P830 WeakPolarHBondContact CB-O 3.45Å; F801-P830 HydrophobicContact CB-CG 3.89Å; F801-P830 HydrophobicContact CD2-CG 3.46Å; F801-P830 VanDerWaalsContact CD2-CG 3.46Å; F801-P830 HydrophobicContact CE2-CG 4.13Å; F801-P830 HydrophobicContact CG-CG 3.79Å; L809-P830 HydrophobicContact CD1-CG 4.46Å; L809-P830 HydrophobicContact CD2-CB 3.79Å; L809-P830 HydrophobicContact CD2-CG 4.43Å; L809-P830 HydrophobicContact CG-CB 4.09Å
831L85.6Confident68.6Low113 Ų11394.1 Ų94.159%0.59251%0.514SS*.EExtended strand (participates in β ladder)trans-111.2136.5-179.8-65.3169.1000110.6I810I810-L831 PolarHBondContact N-O 2.89Å; I810-L831 PolarHBondContact O-N 2.9Å
832C85.9Confident67.2Low12 Ų1295.9 Ų95.98%0.08152%0.517CS..EExtended strand (participates in β ladder)trans-99.9103.7172.1-65.20000109.4D782 N783 C803 Y807 E808D782-C832 WeakPolarHBondContact O-CB 3.46Å; N783-C832 HydrophobicContact CB-CB 4.49Å; C803-C832 WeakPolarHBondContact CA-SG 3.41Å; C803-C832 HydrophobicContact CB-CB 3.68Å; C803-C832 WeakPolarHBondContact CB-SG 3.38Å; C803-C832 VanDerWaalsContact SG-CA 3.53Å; C803-C832 WeakPolarHBondContact SG-CB 3.47Å; C803-C832 CovalentContact SG-SG 2.03Å; C803-C832 PolarHBondContact SG-SG 2.83Å; Y807-C832 WeakPolarHBondContact CD1-O 3.5Å; E808-C832 WeakPolarHBondContact O-CA 3.42Å
833Q81.4Confident65.4Low125 Ų12595 Ų9558%0.58452%0.52SS*.EExtended strand (participates in β ladder)trans-98.4132.7-177.2-175.6169.2-31.700111.1Y807 E808 I810 N835Y807-Q833 CarbonylContact C-O 3.46Å; Y807-Q833 WeakPolarHBondContact CA-O 3.39Å; E808-Q833 PolarHBondContact N-O 3.06Å; E808-Q833 PolarHBondContact O-N 3.39Å; I810-Q833 HydrophobicContact CD1-CB 3.71Å; I810-Q833 HydrophobicContact CD1-CG 4.49Å; Q833-N835 PolarHBondContact O-N 3.2Å
834A73.4Confident63.5Low40 Ų40101.4 Ų101.433%0.33155%0.551SS.*EExtended strand (participates in β ladder)trans-66.1127.4172.800000109.9Y807 R836Y807-A834 HydrophobicContact CD1-CB 3.87Å; Y807-A834 VanDerWaalsContact CD1-N 3.31Å; Y807-A834 HydrophobicContact CE1-CB 3.64Å; A834-R836 PolarHBondContact O-N 2.93Å
835N60.7Low61.2Low96 Ų96105.8 Ų105.851%0.51357%0.573SS.*PPolyproline II helixtrans-67.8120177.6-167.5-22.5000109.6E808 Q833E808-N835 PolarHBondContact OE1-ND2 2.8Å; Q833-N835 PolarHBondContact O-N 3.2Å
836R52.7Low58.8Low228 Ų228109.9 Ų109.986%0.8660%0.602SS**  trans-134.392.7-178.4-97.4-173.4159.4-175.6-5.6109.3A834A834-R836 PolarHBondContact O-N 2.93Å
837D42.6Very low56.5Low152 Ų152112.1 Ų112.181%0.81362%0.624SS**  trans-57.6151.1170-82.5-56000112.4
838C35.4Very low54Low114 Ų114120.2 Ų120.277%0.7766%0.658SS**  trans-71.5144.7-170.6-66.40000113.7
839F36.1Very low51.8Low223 Ų223119.4 Ų119.498%0.97866%0.661SS**  -177.4135129.7-99.7-64.4000112.6
840G35.7Very low49.5Very low65 Ų65122.6 Ų122.667%0.6768%0.682SS**  trans101.666.2139.500000122.1
841N38.7Very low47.2Very low142 Ų142127.5 Ų127.576%0.75972%0.723SS**  trans51.9154.8134.3-60.4-3.9000124.6
842H35.2Very low44.7Very low183 Ų183126 Ų12685%0.84774%0.736SS**  trans77.4142.6168.6-54.2-75.6000116.4
843A32.9Very low42.7Very low92 Ų92130.9 Ų130.976%0.7677%0.769SS**  cis-137.2176.23.300000112.5
844L38.7Very low41.1Very low158 Ų158130.7 Ų130.783%0.82778%0.779SS**  trans-73152166.9-83.971.7000110.7
845E35.5Very low39.7Very low199 Ų199136.4 Ų136.493%0.9380%0.803SS**  trans-137.8158.4143.6-147.8156.2-132.500109.5
846V36.3Very low38.9Very low127 Ų127139.7 Ų139.777%0.7782%0.821SS**  trans-118.5152.9-162.9173.40000111.2
847A40.9Very low38.8Very low98 Ų98132 Ų13281%0.8181%0.812SS**  trans-55.8151.1-174.700000115.4
848E31.2Very low39.4Very low185 Ų185127.4 Ų127.486%0.86480%0.801SS**  trans-129.6144.5156.6-171.7162.7-128.300109.8
849A38.1Very low40.5Very low96 Ų96129.1 Ų129.179%0.79380%0.802SS**  trans-149.6104.1-176.400000112.1
850T35.4Very low41.6Very low124 Ų124123.4 Ų123.476%0.76179%0.786SS**  trans-140.5111.6164.839.40000107.7
851A38Very low42.7Very low105 Ų105123.6 Ų123.687%0.86878%0.781SS**  76.4103.969.800000112.4
852G33.8Very low43.8Very low83 Ų83122.7 Ų122.786%0.85678%0.776SS**  trans-172.180.7179.800000111.6
853S43.3Very low45.1Very low113 Ų113116.8 Ų116.879%0.7976%0.758SS**  trans-81.3154.1171560000111
854P47.7Very low46.7Very low122 Ų122117.2 Ų117.279%0.79275%0.747SS**  -134.2174.494.738-28.2000114.3
855L45.8Very low48.1Very low159 Ų159117 Ų11783%0.83274%0.739SS**  trans-75.2156174.9-52.888.5000110
856D43.8Very low50Low166 Ų166112 Ų11289%0.88872%0.718SS**  -168.4171.979.8-154.3-9.9000113.3
857G48.8Very low51.6Low66 Ų66111 Ų11168%0.6871%0.708SS**SBendtrans99.1-18.1151.300000120.1
858G55.7Low53.3Low56 Ų56110.6 Ų110.658%0.57770%0.695SS**  trans-75-37.3-164.900000118.3V860G858-V860 PolarHBondContact O-N 2.04Å
859N59.8Low55.4Low149 Ų149106.4 Ų106.480%0.79768%0.678SS**Hα-helixtrans-92.22.4-154.5-75.9-11.2000117.2
860V59.3Low57.4Low103 Ų103106.8 Ų106.862%0.62467%0.666SS**Hα-helixtrans-84.9-41-179.3-179.60000112.2G858 L862 A863 I864G858-V860 PolarHBondContact O-N 2.04Å; V860-L862 PolarHBondContact O-N 2.63Å; V860-A863 PolarHBondContact O-N 2.84Å; V860-I864 HydrophobicContact CG1-CD1 3.91Å; V860-I864 WeakPolarHBondContact O-CG1 3.27Å; V860-I864 PolarHBondContact O-N 3.24Å
861A57.2Low59.5Low70 Ų70105.2 Ų105.258%0.57965%0.653SS**Hα-helixtrans-64.9-41.8-175.200000113A863 I864 F865A861-A863 PolarHBondContact O-N 2.89Å; A861-I864 PolarHBondContact O-N 3.1Å; A861-F865 PolarHBondContact O-N 3.21Å; A861-F865 VanDerWaalsContact O-N 3.1Å
862L63.3Low61.2Low123 Ų123103.3 Ų103.364%0.64463%0.633SS**Hα-helixtrans-63.3-41.2-179.3-15890.6000111.9V860 F865 I866V860-L862 PolarHBondContact O-N 2.63Å; L862-F865 PolarHBondContact O-N 3.27Å; L862-I866 HydrophobicContact CD2-CD1 4.2Å; L862-I866 HydrophobicContact CG-CD1 4.19Å; L862-I866 WeakPolarHBondContact O-CG1 3.13Å; L862-I866 PolarHBondContact O-N 2.87Å; L862-I866 VanDerWaalsContact O-N 3.15Å
863A61.8Low63.4Low58 Ų58104.1 Ų104.148%0.47962%0.621SS.*Hα-helixtrans-63.6-42.317900000111.9V860 A861 L867V860-A863 PolarHBondContact O-N 2.84Å; A861-A863 PolarHBondContact O-N 2.89Å; A863-L867 WeakPolarHBondContact O-CB 3.35Å; A863-L867 PolarHBondContact O-N 2.73Å; A863-L867 VanDerWaalsContact O-N 3.16Å
864I67.3Low65Low101 Ų101104.6 Ų104.652%0.51861%0.614SS.*Hα-helixtrans-64.1-44.9177.1-64.9168.9000110.7V860 A861 I866 L867 V868V860-I864 HydrophobicContact CG1-CD1 3.91Å; V860-I864 WeakPolarHBondContact O-CG1 3.27Å; V860-I864 PolarHBondContact O-N 3.24Å; A861-I864 PolarHBondContact O-N 3.1Å; I864-I866 PolarHBondContact O-N 2.94Å; I864-L867 PolarHBondContact O-N 2.89Å; I864-V868 HydrophobicContact CG2-CG2 4.34Å; I864-V868 WeakPolarHBondContact O-CG2 3.45Å; I864-V868 PolarHBondContact O-N 2.85Å
865F66.8Low66.4Low154 Ų154104.7 Ų104.768%0.67561%0.607SS**Hα-helixtrans-62.6-41.5-178.1-127.8-87.5000112.8A861 L862 L869A861-F865 PolarHBondContact O-N 3.21Å; A861-F865 VanDerWaalsContact O-N 3.1Å; L862-F865 PolarHBondContact O-N 3.27Å; F865-L869 HydrophobicContact CD1-CD1 4.37Å; F865-L869 PolarHBondContact O-N 3.22Å
866I75.8Confident67.7Low94 Ų9498.9 Ų98.948%0.48259%0.586SS.*Hα-helixtrans-65.7-39.7176.6-67.3166.7000111L862 I864 L869 L870L862-I866 HydrophobicContact CD2-CD1 4.2Å; L862-I866 HydrophobicContact CG-CD1 4.19Å; L862-I866 WeakPolarHBondContact O-CG1 3.13Å; L862-I866 PolarHBondContact O-N 2.87Å; L862-I866 VanDerWaalsContact O-N 3.15Å; I864-I866 PolarHBondContact O-N 2.94Å; I866-L869 PolarHBondContact O-N 2.94Å; I866-L870 HydrophobicContact CG2-CD1 4.11Å; I866-L870 WeakPolarHBondContact O-CG 3.41Å; I866-L870 PolarHBondContact O-N 2.99Å
867L70.8Confident69.1Low106 Ų10693 Ų9356%0.55556%0.564SS**Hα-helixtrans-70.6-36.5-179.5-146.2158.6000111.8A863 I864 L870 L871A863-L867 WeakPolarHBondContact O-CB 3.35Å; A863-L867 PolarHBondContact O-N 2.73Å; A863-L867 VanDerWaalsContact O-N 3.16Å; I864-L867 PolarHBondContact O-N 2.89Å; L867-L870 PolarHBondContact O-N 3.2Å; L867-L871 HydrophobicContact CD2-CD1 3.81Å; L867-L871 HydrophobicContact CD2-CG 4.42Å; L867-L871 WeakPolarHBondContact O-CB 3.21Å; L867-L871 PolarHBondContact O-N 3.31Å
868V75.7Confident70Confident89 Ų8992.2 Ų92.254%0.53955%0.552SS.*Hα-helixtrans-66.9-40172.6171.60000111.8I864 L871 S872I864-V868 HydrophobicContact CG2-CG2 4.34Å; I864-V868 WeakPolarHBondContact O-CG2 3.45Å; I864-V868 PolarHBondContact O-N 2.85Å; V868-L871 PolarHBondContact O-N 3.17Å; V868-S872 PolarHBondContact O-N 3.43Å; V868-S872 PolarHBondContact O-OG 3.48Å
869L76Confident70.3Confident98 Ų9897.4 Ų97.451%0.51356%0.555SS.*Hα-helixtrans-65.3-39.9174.1-90.7163.2000112.7F865 I866 S872 V873F865-L869 HydrophobicContact CD1-CD1 4.37Å; F865-L869 PolarHBondContact O-N 3.22Å; I866-L869 PolarHBondContact O-N 2.94Å; L869-S872 PolarHBondContact O-N 2.8Å; L869-S872 PolarHBondContact O-OG 2.91Å; L869-S872 VanDerWaalsContact O-OG 3.11Å; L869-V873 WeakPolarHBondContact O-CB 3.17Å; L869-V873 VanDerWaalsContact O-CG2 3.3Å; L869-V873 WeakPolarHBondContact O-CG2 3.48Å; L869-V873 PolarHBondContact O-N 3.24Å; L869-V873 VanDerWaalsContact O-N 3.07Å
870L78.5Confident70.4Confident104 Ų10494.5 Ų94.555%0.54554%0.542SS..Hα-helixtrans-64.7-40.7173.9-77.1165.8000111.8I866 L867 L874I866-L870 HydrophobicContact CG2-CD1 4.11Å; I866-L870 WeakPolarHBondContact O-CG 3.41Å; I866-L870 PolarHBondContact O-N 2.99Å; L867-L870 PolarHBondContact O-N 3.2Å; L870-L874 WeakPolarHBondContact O-CB 3.33Å; L870-L874 WeakPolarHBondContact O-CD1 3.42Å; L870-L874 VanDerWaalsContact O-CG 3.27Å; L870-L874 WeakPolarHBondContact O-CG 3.26Å; L870-L874 PolarHBondContact O-N 2.75Å
871L79.4Confident70.3Confident90 Ų9097.7 Ų97.747%0.47155%0.545SS..Hα-helixtrans-65.2-41.9175.8-87.3164.6000113L867 V868 L874 L875L867-L871 HydrophobicContact CD2-CD1 3.81Å; L867-L871 HydrophobicContact CD2-CG 4.42Å; L867-L871 WeakPolarHBondContact O-CB 3.21Å; L867-L871 PolarHBondContact O-N 3.31Å; V868-L871 PolarHBondContact O-N 3.17Å; L871-L874 PolarHBondContact O-N 2.87Å; L871-L875 WeakPolarHBondContact O-CB 3.42Å; L871-L875 WeakPolarHBondContact O-CG 3.28Å; L871-L875 PolarHBondContact O-N 3Å
872S74.6Confident70.4Confident65 Ų6599.7 Ų99.746%0.45555%0.549SS..Hα-helixtrans-69.2-38179.266.20000112.4V868 L869 G876V868-S872 PolarHBondContact O-N 3.43Å; V868-S872 PolarHBondContact O-OG 3.48Å; L869-S872 PolarHBondContact O-N 2.8Å; L869-S872 PolarHBondContact O-OG 2.91Å; L869-S872 VanDerWaalsContact O-OG 3.11Å; S872-G876 PolarHBondContact O-N 3.07Å
873V79.6Confident70.1Confident101 Ų10197.9 Ų97.961%0.61254%0.543SS*.Hα-helixtrans-66.7-41173.4171.90000111.6L869 G877L869-V873 WeakPolarHBondContact O-CB 3.17Å; L869-V873 VanDerWaalsContact O-CG2 3.3Å; L869-V873 WeakPolarHBondContact O-CG2 3.48Å; L869-V873 PolarHBondContact O-N 3.24Å; L869-V873 VanDerWaalsContact O-N 3.07Å; V873-G877 PolarHBondContact O-N 3.13Å
874L77.6Confident69.6Low123 Ų123105.6 Ų105.664%0.64456%0.56SS**Hα-helixtrans-65.9-43.2176.1-77.9167.5000112.5L870 L871 G877 A878L870-L874 WeakPolarHBondContact O-CB 3.33Å; L870-L874 WeakPolarHBondContact O-CD1 3.42Å; L870-L874 VanDerWaalsContact O-CG 3.27Å; L870-L874 WeakPolarHBondContact O-CG 3.26Å; L870-L874 PolarHBondContact O-N 2.75Å; L871-L874 PolarHBondContact O-N 2.87Å; L874-G877 PolarHBondContact O-N 3.38Å; L874-A878 WeakPolarHBondContact O-CB 3.17Å; L874-A878 PolarHBondContact O-N 2.85Å
875L75.9Confident68.5Low123 Ų123105 Ų10564%0.64456%0.564SS**Hα-helixtrans-67.2-40.9176.8-75165.6000111.9L871 A878 Y879L871-L875 WeakPolarHBondContact O-CB 3.42Å; L871-L875 WeakPolarHBondContact O-CG 3.28Å; L871-L875 PolarHBondContact O-N 3Å; L875-A878 PolarHBondContact O-N 2.92Å; L875-Y879 WeakPolarHBondContact O-CB 3.48Å; L875-Y879 PolarHBondContact O-N 3.14Å
876G74.7Confident67.1Low37 Ų37108.5 Ų108.538%0.38157%0.572SS.*Hα-helixtrans-62.5-44.4173.500000112.5S872 Y879 V880S872-G876 PolarHBondContact O-N 3.07Å; G876-Y879 PolarHBondContact O-N 2.73Å; G876-V880 WeakPolarHBondContact O-CG2 3.5Å; G876-V880 PolarHBondContact O-N 3.38Å; G876-V880 VanDerWaalsContact O-N 3.09Å
877G72.4Confident65.3Low42 Ų42115 Ų11543%0.43359%0.592SS.*Hα-helixtrans-61.9-43.517500000112.9V873 L874 V880 Y881V873-G877 PolarHBondContact O-N 3.13Å; L874-G877 PolarHBondContact O-N 3.38Å; G877-V880 PolarHBondContact O-N 2.81Å; G877-Y881 WeakPolarHBondContact O-CB 3.49Å; G877-Y881 PolarHBondContact O-N 3.3Å
878A67.8Low63.4Low51 Ų51118.8 Ų118.842%0.42161%0.607SS.*Hα-helixtrans-63.3-40.7175.600000112.2L874 L875 Y881 V882L874-A878 WeakPolarHBondContact O-CB 3.17Å; L874-A878 PolarHBondContact O-N 2.85Å; L875-A878 PolarHBondContact O-N 2.92Å; A878-Y881 PolarHBondContact O-N 3.43Å; A878-V882 WeakPolarHBondContact O-CG2 3.37Å; A878-V882 PolarHBondContact O-N 3.13Å
879Y62.4Low61.4Low165 Ų165119.8 Ų119.865%0.64761%0.613SS**Hα-helixtrans-62.2-43.8176.8-175.3-101.1000112.1L875 G876 T883L875-Y879 WeakPolarHBondContact O-CB 3.48Å; L875-Y879 PolarHBondContact O-N 3.14Å; G876-Y879 PolarHBondContact O-N 2.73Å; Y879-T883 HydrophobicContact CE1-CG2 4.29Å; Y879-T883 HydrophobicContact CE2-CG2 4.32Å; Y879-T883 WeakPolarHBondContact O-CB 3.46Å; Y879-T883 WeakPolarHBondContact O-CG2 3.45Å; Y879-T883 PolarHBondContact O-N 3.04Å; Y879-T883 PolarHBondContact O-OG1 2.61Å
880V62.3Low59.2Low87 Ų87121.4 Ų121.453%0.52762%0.623SS.*Hα-helixtrans-66-39175.2174.80000111.7G876 G877 T883 R884G876-V880 WeakPolarHBondContact O-CG2 3.5Å; G876-V880 PolarHBondContact O-N 3.38Å; G876-V880 VanDerWaalsContact O-N 3.09Å; G877-V880 PolarHBondContact O-N 2.81Å; V880-T883 WeakPolarHBondContact CA-OG1 3.21Å; V880-T883 PolarHBondContact O-OG1 2.87Å; V880-R884 PolarHBondContact O-N 3.41Å
881Y56.6Low57Low171 Ų171124.2 Ų124.267%0.67164%0.637SS**Hα-helixtrans-64.6-44.4177.2-173.9-104.2000112.4G877 A878 C885G877-Y881 WeakPolarHBondContact O-CB 3.49Å; G877-Y881 PolarHBondContact O-N 3.3Å; A878-Y881 PolarHBondContact O-N 3.43Å; Y881-C885 PolarHBondContact O-N 2.82Å
882V58.3Low54.6Low111 Ų111129.8 Ų129.867%0.67365%0.652SS**Hα-helixtrans-68.1-38.3178.4171.70000111.9A878A878-V882 WeakPolarHBondContact O-CG2 3.37Å; A878-V882 PolarHBondContact O-N 3.13Å
883T57.3Low52.7Low85 Ų85133.6 Ų133.652%0.52167%0.667SS.*Hα-helixtrans-79.3-16.2-176.8510000114.9Y879 V880Y879-T883 HydrophobicContact CE1-CG2 4.29Å; Y879-T883 HydrophobicContact CE2-CG2 4.32Å; Y879-T883 WeakPolarHBondContact O-CB 3.46Å; Y879-T883 WeakPolarHBondContact O-CG2 3.45Å; Y879-T883 PolarHBondContact O-N 3.04Å; Y879-T883 PolarHBondContact O-OG1 2.61Å; V880-T883 WeakPolarHBondContact CA-OG1 3.21Å; V880-T883 PolarHBondContact O-OG1 2.87Å
884R51.2Low51.4Low220 Ų220133.7 Ų133.783%0.8367%0.669SS**Hα-helixtrans-116.7-3.7-178.5-100.6-170.2174.7-158.9-1.1117.5V880V880-R884 PolarHBondContact O-N 3.41Å
885C45.8Very low49.2Very low88 Ų88134.6 Ų134.660%0.59567%0.674SS**SBendtrans-129.925.4-170.7-76.30000117.4Y881Y881-C885 PolarHBondContact O-N 2.82Å
886R36.9Very low47Very low228 Ų228135.4 Ų135.486%0.8668%0.678SS**  trans-148.840.3173.8-134.1177.9-165.3179.75120.4
887Y36.6Very low44.7Very low230 Ų230144 Ų14490%0.90270%0.7SS**  trans-126.789.8160-105.5-84000112.2
888H32.6Very low43.3Very low187 Ų187147.4 Ų147.487%0.86671%0.714SS**  trans147.6130.8167.5-86.4-42.5000107.3
889T32.3Very low41.7Very low109 Ų109153.8 Ų153.867%0.66974%0.735SS**  cis-138-175.4252.50000108
890N30Very low41.3Very low133 Ų133151.2 Ų151.271%0.71174%0.739SS**  cis-169.9131.229.2-135.9-35.8000112.6
891L32.5Very low39.7Very low162 Ų162157 Ų15785%0.84875%0.752SS**  trans-178.9103155.5-99138.9000106.5
892R30.1Very low38.3Very low208 Ų208158.1 Ų158.179%0.78576%0.756SS**  67.6127.485.5-84.6-168.9171.2-167.8-2.2113
893L33.3Very low37Very low145 Ų145159.6 Ų159.676%0.75976%0.755SS**  cis-149.6-168.610.2-74.3116.7000109.8
894P53.5Low35.7Very low102 Ų102161.8 Ų161.866%0.66276%0.762SS**  -116.6174-62.930.8-11.4000111.6
895L31.6Very low34.6Very low142 Ų142156.6 Ų156.674%0.74376%0.755SS**  -174135.475.9-81.5165.5000113.2
896I28.2Very low33.9Very low141 Ų141158 Ų15872%0.72376%0.76SS**  trans32.9106.5131.7-51.6-179.9000118
897Y27.7Very low33.6Very low218 Ų218154.8 Ų154.886%0.85576%0.755SS**  64.5147.783.9-89.6-83.7000116.4
898P43.4Very low33.3Very low113 Ų113149 Ų14973%0.73474%0.744SS**  cis-136.2-178.82.645.2-28.3000117.3
899H32.7Very low33.3Very low185 Ų185147.4 Ų147.486%0.85674%0.737SS**  trans-98.3-166.7156.7-58.7-71.3000109.9
900P55.3Low33.1Very low111 Ų111150.3 Ų150.372%0.72174%0.741SS**  cis-135.3-168.3-12.721.16.6000115.2
901Y27.7Very low33.1Very low208 Ų208150.1 Ų150.182%0.81674%0.74SS**  trans97.3120.2147.3-99.8-71000123.4
902R27.6Very low33Very low195 Ų195149.4 Ų149.474%0.73674%0.737SS**  trans89.8125.8134.6-119176.3-172.8-139.110.9122.9
903Q30.5Very low33.9Very low142 Ų142144 Ų14466%0.66473%0.728SS**  trans65.6160.6148.4-77.3169.6-89.700119.6
904I30.1Very low33.9Very low131 Ų131144 Ų14467%0.67273%0.728SS**  cis-165153.5-41.9-144.9171.9000109.4
905T28.7Very low32.6Very low111 Ų111149.3 Ų149.368%0.68174%0.737SS**  trans62124.4165.552.10000118.8
906V31.8Very low32.8Very low116 Ų116150.5 Ų150.570%0.70374%0.738SS**  79.5136.6102.1176.30000111.4
907E29Very low33Very low162 Ų162151 Ų15176%0.75775%0.748SS**  cis-157.515945.9-144.7134.9-126.200112.1
908T31.6Very low33.2Very low108 Ų108144.1 Ų144.166%0.66374%0.743SS**  trans37.9149.4141.553.80000123.4
909E31.3Very low32.6Very low153 Ų153142.8 Ų142.872%0.71575%0.751SS**  cis-175.7173.6-12.8-121.9176.1164.600110.9
910F28.1Very low32.7Very low171 Ų171140.3 Ų140.375%0.7574%0.744SS**  trans68.5155.5151.4-88.9-70.1000123.9
911D31.4Very low31.6Very low129 Ų129141.6 Ų141.669%0.6975%0.75SS**  trans-82.4151.8-162.1-66.2-88.3000117.7
912N29.5Very low31.9Very low147 Ų147142 Ų14279%0.78675%0.75SS**  34.7157.8116.7-128.113.3000120.4
913P49Very low32.1Very low94 Ų94140.1 Ų140.161%0.6175%0.749SS**  cis-141.8-175.83.844.7-25.9000117.2
914L32.6Very low32.1Very low145 Ų145142.3 Ų142.376%0.75975%0.753SS**  trans48.3124.9146.8-76.6158.8000121.4
915Y27.1Very low32.2Very low214 Ų214145.2 Ų145.284%0.83976%0.763SS**  -170164.3101.4-119.4-85.2000113.5
916E36.3Very low32.1Very low166 Ų166146.1 Ų146.178%0.77677%0.769SS**  trans-89.7140.3172.7-62.3170.8111.300112.9
917T32.1Very low32Very low152 Ų152145.8 Ų145.893%0.93377%0.771SS**  trans-177.2150.9140.715.30000106.2
918G31.6Very low32.2Very low73 Ų73149.5 Ų149.575%0.75379%0.794SS**  cis124.369.833.600000105.9
919G31Very low32.2Very low86 Ų86151.6 Ų151.689%0.88780%0.8SS**  trans-89.1120.2-167.400000112.9
920D33.9Very low32.3Very low132 Ų132151.5 Ų151.571%0.70681%0.805SS**  trans-133.7114.9160.7-170.34.7000108.6
921T32.1Very low32.5Very low138 Ų138150.4 Ų150.485%0.84781%0.808SS**  trans-144.183.3174.755.50000109.2
922R35Very low32.6Very low217 Ų217151.6 Ų151.682%0.81982%0.815SS**  trans-64.5146.9153.1-56.7176.2-179.7-172.3-2.1108.6
923E32.7Very low32.8Very low156 Ų156151.9 Ų151.973%0.72982%0.817SS**  trans-169.4146.8137.2-110167.9-162.500114.6
924Y30.6Very low31.7Very low188 Ų188155.8 Ų155.874%0.73783%0.83SS**  trans53.9107.4161.2-52.7-51.3000123.4
925E30.4Very low31.6Very low191 Ų191156.6 Ų156.689%0.89384%0.835SS**  trans-43.5142.7137175.7177.7-132.100113.2
926V28.1Very low32Very low131 Ų131152.2 Ų152.279%0.79484%0.835SS**  trans-135.3128.9170.1177.20000109
927S29.3Very low31.6Very low108 Ų108151 Ų15176%0.75584%0.84SS**  trans-91.4141.2177.7450000113
928I33Very low31.6Very low240 Ų240150.9 Ų150.9100%1.23183%0.832SS**  trans-138.30151.7-59-175.5000106.3

Retrieved 928 of 928 residues in 1854.3 ms (Link to these results)