A0A087X2M5_POEFO Loading...

La ribonucleoprotein 4B

AlphaFold DB , UniProt , Accession A0A087X2M5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 770 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
1M32Very low37.2Very low225 Ų225124.5 Ų124.5100%1.10869%0.69SS**  092.30-65.9179.978.100105.6
2T38.9Very low36.7Very low120 Ų120122.6 Ų122.674%0.73667%0.672SS**  73.8124.486.5550000111.7
3S36.2Very low37Very low91 Ų91119.6 Ų119.664%0.63666%0.662SS**  cis-166.6159.2-4.4-114.80000111.3
4D43.5Very low36.3Very low124 Ų124122.1 Ų122.166%0.66367%0.666SS**  28.4142.4129-59.6-86.8000121.1
5Q40Very low35.8Very low150 Ų150122.5 Ų122.570%0.70167%0.674SS**  cis-148.1155.3-6.1-80.2-114.5-27.900107
6D39.3Very low35.3Very low119 Ų119125 Ų12564%0.63668%0.679SS**  52.5122.474-109.6-61.1000112.4
7T38.4Very low34.9Very low117 Ų117128.5 Ų128.572%0.71869%0.69SS**  -158.2155.855.332.60000110.2
8K38.5Very low34.5Very low172 Ų172127.7 Ų127.775%0.74869%0.69SS**  cis86.1134.436.8-164.1-174.9-175-62.50112.5
9V36.2Very low34Very low96 Ų96130.8 Ų130.858%0.58270%0.699SS**  cis-176.5-178.9-20.587.30000109.9
10V33.5Very low33.7Very low101 Ų101133.6 Ų133.661%0.61271%0.708SS**  -153.9151.8-93.184.40000114.5D428 S429V10-D428 PolarHBondContact N-O 3.29Å; V10-D428 CarbonylContact O-C 3.54Å; V10-S429 VanDerWaalsContact CA-OG 3.3Å; V10-S429 WeakPolarHBondContact CA-OG 3.39Å
11A33Very low33.4Very low54 Ų54131.6 Ų131.645%0.44671%0.711SS.*  trans68.8160.6-178.500000120.2D428 S429A11-D428 CarbonylContact O-C 3.55Å; A11-D428 VanDerWaalsContact O-C 3.28Å; A11-D428 VanDerWaalsContact O-CA 3.29Å; A11-D428 WeakPolarHBondContact O-CA 3.37Å; A11-S429 VanDerWaalsContact C-OG 3.22Å; A11-S429 WeakPolarHBondContact CA-OG 3.32Å; A11-S429 PolarHBondContact N-OG 2.99Å; A11-S429 WeakPolarHBondContact O-CB 3.13Å; A11-S429 PolarHBondContact O-N 2.85Å; A11-S429 PolarHBondContact O-OG 3.21Å
12E30.5Very low33.2Very low102 Ų102129.3 Ų129.348%0.47769%0.694SS.*  trans70.8166.6154.6-82-162.190.200123.2Q14 L427E12-Q14 PolarHBondContact OE1-NE2 2.93Å; E12-L427 HydrophobicContact CB-CD2 3.57Å; E12-L427 HydrophobicContact CG-CD2 4.04Å; E12-L427 VanDerWaalsContact OE2-CD2 3.29Å; E12-L427 WeakPolarHBondContact OE2-CD2 3.46Å
13P41.2Very low32.6Very low84 Ų84129.7 Ų129.755%0.54569%0.688SS.*  cis-122.9160-219.44.3000118.1L427P13-L427 HydrophobicContact CB-CD2 4.42Å
14Q27.4Very low32.1Very low154 Ų154131.5 Ų131.572%0.7269%0.691SS**  trans31.3146.1137.5-56.3172.13600120.8E12E12-Q14 PolarHBondContact OE1-NE2 2.93Å
15V28.5Very low31.3Very low128 Ų128130.6 Ų130.678%0.77669%0.694SS**  -168.2145.975.3155.20000112.6
16Q27.2Very low30.7Very low163 Ų163131.1 Ų131.176%0.76270%0.696SS**  trans7.2127.8151.2-136.391.3-17.700120.3
17Q28.7Very low30.4Very low185 Ų185132.2 Ų132.286%0.86470%0.701SS**  -174.5150.1107.1-101.4-17920.600116.7
18V27.1Very low29.8Very low113 Ų113135.8 Ų135.869%0.68571%0.71SS**  trans-40.6146.6159-1750000111.2
19Q26.3Very low29.5Very low187 Ų187132.8 Ų132.887%0.87471%0.711SS**  -171.2176.970.6-159.5140-13.100115.6
20E27.9Very low29.2Very low186 Ų186133 Ų13387%0.86972%0.722SS**  trans-102129.5-175.6174.4-165.7158.900113.3
21A26.4Very low29.1Very low93 Ų93137.4 Ų137.477%0.76973%0.733SS**  trans-179.8143.4155.400000107.4
22K28.9Very low29.3Very low176 Ų176141.1 Ų141.177%0.76575%0.75SS**  cis90.7119.723.2-164.7168.9-173.3-88.60115.9
23E25.3Very low29.6Very low128 Ų128141 Ų14160%0.59876%0.76SS**  trans77.6137.2160.7-98.3-178.999.600122
24N26.1Very low29.4Very low130 Ų130144 Ų14470%0.69577%0.771SS**  trans69.1151.1144.2-63.9-20.5000119.8
25S27.4Very low30.2Very low104 Ų104144.7 Ų144.773%0.72778%0.779SS**  cis-169.6-175.8-20.158.10000109.8
26H26.8Very low31.1Very low161 Ų161144.6 Ų144.675%0.74578%0.775SS**  trans127159.8143.1-148.667.7000116.6
27L32.5Very low32.3Very low142 Ų142143.1 Ų143.174%0.74378%0.779SS**  trans-85.4173.3-161.8-51.2169.4000110.7
28E27Very low32.8Very low192 Ų192141.4 Ų141.490%0.89778%0.776SS**  -154.1-171.761.8-138.6-176.2128.300114.6
29S32.3Very low34.1Very low110 Ų110140.5 Ų140.577%0.76978%0.78SS**  trans-134.7141.6-166.6-170.90000113.7
30A29.1Very low34.8Very low99 Ų99140.7 Ų140.782%0.81878%0.778SS**  trans-140.8165.3175.100000112.2
31K31.6Very low35.5Very low194 Ų194136.7 Ų136.784%0.84378%0.776SS**  trans-121.7132.6-160.9-76.8175.9177.9166.60115.4
32V36.6Very low35.8Very low132 Ų132144 Ų14480%0.878%0.784SS**  62.6154.5127.2-174.60000119.9
33S38Very low36.1Very low99 Ų99140.2 Ų140.269%0.69279%0.786SS**  trans82.5147.2171.7-98.30000116.5
34D35.3Very low36.5Very low147 Ų147142.4 Ų142.479%0.78680%0.802SS**  cis-132.31709-92.4-48.8000114.6
35L44.4Very low36.7Very low169 Ų169143.8 Ų143.889%0.88580%0.804SS**  trans-128.9158.5173-80.9173.8000112.3
36N48.1Very low36.7Very low127 Ų127147 Ų14768%0.67981%0.809SS**  trans-50.6125.9-172.9-179.6-10.3000113.9N38N36-N38 PolarHBondContact O-N 3.18Å; N36-N38 PolarHBondContact OD1-N 2.73Å
37P51.6Low36.9Very low131 Ų131148.3 Ų148.385%0.85181%0.813SS**SBendtrans-80.3-7.1-174.432.2-37.3000116.4
38N40.1Very low36.8Very low150 Ų150146.1 Ų146.180%0.80281%0.81SS**  trans-112.627.9-164.6-152.611.8000115.9N36N36-N38 PolarHBondContact O-N 3.18Å; N36-N38 PolarHBondContact OD1-N 2.73Å
39A54.3Low36.9Very low93 Ų93145 Ų14577%0.76981%0.809SS**  trans-99.5124.7174.900000111.5
40K41.3Very low36.8Very low192 Ų192146.8 Ų146.884%0.83581%0.81SS**  trans-129.5115-178.9-165.4177.1-174.6-178.80109.9
41A42.8Very low36.8Very low101 Ų101148.8 Ų148.884%0.83581%0.812SS**  trans-115.3141.1176.500000110
42W32.8Very low36.7Very low247 Ų247145.6 Ų145.694%0.93681%0.814SS**  trans-91.2132.7176-64.1-65.3000110.9
43A35.5Very low36.2Very low97 Ų97142.9 Ų142.980%0.80281%0.813SS**  trans-135.7142168.600000108.8
44N32.9Very low35.8Very low173 Ų173145 Ų14593%0.92582%0.822SS**  trans-72.3149-170.9-61.3-62.3000112.6
45H30.2Very low35.5Very low160 Ų160141.7 Ų141.774%0.74182%0.815SS**  trans-108.3117.8170.4-151.3-68.8000109.4
46M27.8Very low34.8Very low170 Ų170140.9 Ų140.984%0.83781%0.812SS**  trans-74.2142.9161.6-76.7168.655.100108.9
47F31.1Very low33.9Very low189 Ų189140.7 Ų140.783%0.82982%0.815SS**  trans-99143.7158.8-87.5-86.6000109.5
48S29.3Very low32.8Very low97 Ų97140.1 Ų140.168%0.67881%0.81SS**  trans-132.7137.4165.3-170.60000106.7
49L30.9Very low32.3Very low168 Ų168139 Ų13988%0.8881%0.809SS**  trans-146.3141168.9-145.179.8000108.4
50D28.6Very low31.1Very low148 Ų148139.1 Ų139.179%0.79181%0.809SS**  trans-87.4160.6-160-57.9-78.9000115
51T30.2Very low30.5Very low141 Ų141134.8 Ų134.887%0.86581%0.81SS**  trans-84.2133.717749.40000113
52S29Very low29.8Very low126 Ų126138.4 Ų138.488%0.88181%0.814SS**  173.4128.9120.9-171.40000111.8
53G26.7Very low29.5Very low76 Ų76135.1 Ų135.178%0.78481%0.809SS**  trans176.6132174.900000110.2
54T28.2Very low29.9Very low142 Ų142135.4 Ų135.487%0.87180%0.803SS**  trans-109.5158-160.8-36.20000113.4
55A29.5Very low29.7Very low78 Ų78139.7 Ų139.765%0.64581%0.806SS**  trans108.6103.3157.800000118.2
56D30.1Very low29.8Very low152 Ų152139.8 Ų139.881%0.81380%0.804SS**  80.3134.8125.8-55.7-11.4000124
57T28.9Very low29.9Very low123 Ų123139.2 Ų139.276%0.75580%0.8SS**  trans93.182.2147.7-51.10000120.4
58T29.3Very low29.6Very low119 Ų119133.4 Ų133.473%0.7379%0.793SS**  90.7109.8114.9-59.20000122.6
59T28.7Very low29.5Very low127 Ų127134.5 Ų134.578%0.77980%0.799SS**  trans90.1118.2135.9-670000123.6
60A28.6Very low29.2Very low95 Ų95133 Ų13379%0.78579%0.792SS**  trans64159.2148.800000119.4
61A28.8Very low29.2Very low102 Ų102130.4 Ų130.484%0.84379%0.786SS**  cis-133.6-174.26.200000113.3
62L28.6Very low29.1Very low177 Ų177129.4 Ų129.493%0.92778%0.784SS**  trans-91.1169.9-169-70.9166.6000114.8
63Q27.5Very low29.1Very low177 Ų177128.4 Ų128.483%0.82778%0.784SS**  trans-91.3-156.2173.3-61.7-145.2-21.300112
64P43Very low29.1Very low104 Ų104132.3 Ų132.368%0.67579%0.787SS**  -123.7165.8-86.537.7-23000113.2
65W29.1Very low30Very low262 Ų262130.6 Ų130.699%0.99278%0.778SS**  trans-127.2163.8174.5-69.5-29.1000114.8
66K31Very low29.8Very low162 Ų162130.5 Ų130.570%0.70479%0.785SS**  trans-168.6161.6-151.9-146.7-100.9-164.9-178.40109.3
67E30Very low30.7Very low159 Ų159129.2 Ų129.274%0.74379%0.785SS**  trans74.7152171.7-111.176.3-100.500119.3
68G25.6Very low30.7Very low66 Ų66133.2 Ų133.268%0.6880%0.795SS**  trans93.1123.8179.700000113.9
69C26.5Very low30.7Very low121 Ų121130.9 Ų130.982%0.81879%0.794SS**  cis57.8131.525.6-60.10000113.3
70D25.8Very low30.7Very low137 Ų137134.5 Ų134.573%0.73380%0.799SS**  cis-154.9160.725.7-135-53.1000115.3
71S28.4Very low30.7Very low93 Ų93138 Ų13865%0.6580%0.799SS**  trans39.4122.5149.1-68.60000124.9
72S28.7Very low30.7Very low120 Ų120136.6 Ų136.684%0.83979%0.788SS**  97160.7122.478.40000123.2
73A29Very low30.7Very low105 Ų105133.2 Ų133.287%0.86878%0.779SS**  trans90.1132.1173.100000118.8
74D26.5Very low30.6Very low158 Ų158133.9 Ų133.985%0.84578%0.782SS**  trans-113.3-171.2-177.9-147.620.3000108.8
75P46.6Very low29.9Very low106 Ų106135.1 Ų135.169%0.68878%0.783SS**  -129160.6-116.138.5-19.4000118.1
76G24.9Very low30.2Very low76 Ų76130.7 Ų130.778%0.78477%0.771SS**  trans70.3-161.7158.200000117.2
77P49Very low30.2Very low125 Ų125126.4 Ų126.481%0.81277%0.765SS**  cis-139.8128.5-24.234.9-16.6000114.9
78E29.6Very low30.1Very low207 Ų207129 Ų12997%0.96777%0.77SS**  trans-160.3151.1170-104.8166.3-162.100108.6
79G29.2Very low30.2Very low69 Ų69134.3 Ų134.371%0.71177%0.774SS**  cis169.8129.7-9.300000112.3
80F28.8Very low30.3Very low204 Ų204135.6 Ų135.690%0.89577%0.768SS**  trans56.7108163.9-105.9-111000121.5
81E28.2Very low31.1Very low168 Ų168133.1 Ų133.179%0.78576%0.759SS**  56.6162.7118-80.7-66.7172.900125.3
82A28.8Very low31.1Very low73 Ų73136 Ų13660%0.60376%0.763SS**  trans82.386.7157.200000121.7
83S27.9Very low31.3Very low105 Ų105137.5 Ų137.573%0.73476%0.76SS**  73147.3115.268.30000124.8
84E26.9Very low31.2Very low191 Ų191136.6 Ų136.689%0.89375%0.753SS**  trans69150160.4-66.5-176.3165.900119.3
85D28.3Very low31.5Very low130 Ų130136.2 Ų136.270%0.69575%0.751SS**  cis-167.4169.7-22.9175.246.8000109.5
86K33.8Very low31.5Very low170 Ų170136.3 Ų136.374%0.73975%0.752SS**  trans100.3116.8175.7-59.4152.3-173.3161.40113.3
87A31.2Very low31.6Very low71 Ų71140.2 Ų140.259%0.58775%0.754SS**  cis69.1140.94500000113.2
88Y28.1Very low30.6Very low215 Ų215142.5 Ų142.584%0.84375%0.754SS**  cis-144.4-179.69.2-42.4-109.7000108.7
89K28.3Very low31.7Very low177 Ų177137.2 Ų137.277%0.7774%0.738SS**  cis-156.11550.5-159-162.8169.8-82.20109.3
90E29.2Very low32.9Very low148 Ų148139.3 Ų139.369%0.69274%0.739SS**  trans-90.5174.8164.4-159.5-157.185.100111.9E92E90-E92 PolarHBondContact OE1-N 2.96Å
91P41.1Very low33.7Very low84 Ų84135.4 Ų135.455%0.54573%0.734SS.*  -151.7146.1114.534.8-16.8000118.9
92E29Very low33.9Very low155 Ų155135.7 Ų135.772%0.72474%0.735SS**  trans74.4141.4142.5-65.6171.990.400118E90E90-E92 PolarHBondContact OE1-N 2.96Å
93L33.2Very low34.4Very low151 Ų151137.7 Ų137.779%0.79174%0.742SS**  cis-167170.6-5.1-110.7172.7000107.4
94A27.1Very low34.4Very low86 Ų86138.6 Ų138.671%0.71174%0.743SS**  cis-154.3172.9500000111
95D31.7Very low34.4Very low150 Ų150136.6 Ų136.680%0.80274%0.735SS**  trans-147.8153.1169.2-148.8-6.9000109.8
96P48.2Very low34.3Very low108 Ų108137.6 Ų137.670%0.70174%0.74SS**  -151.4-173.6103.743.3-25.1000113.7
97D27.1Very low34Very low157 Ų157133.9 Ų133.984%0.8474%0.741SS**  cis-160-178.924.2-147.1-40.5000111.6
98E26.8Very low33.8Very low173 Ų173139.3 Ų139.381%0.80875%0.754SS**  trans-120.2-138.2-163.5-154.1-163.480.700117.1
99P52.4Low34.3Very low96 Ų96134.6 Ų134.662%0.62375%0.75SS**  trans-116.7-147.6-139.645.8-27.4000113.6
100P55.3Low34.4Very low114 Ų114130.4 Ų130.474%0.7475%0.748SS**  cis-126.6-139-9.835.2-9.5000111.2
101P44.9Very low35.1Very low121 Ų121128.3 Ų128.379%0.78675%0.748SS**  cis-138.4-162.1-10.744.6-23.5000116.8
102E31.5Very low34.5Very low174 Ų174131 Ų13181%0.81376%0.762SS**  trans-87.7179.1171.9-35.4-177.5149.300113.7
103P40Very low34.5Very low115 Ų115128.1 Ų128.175%0.74777%0.765SS**  -159-176.864.544.1-20.5000120.4
104V28.1Very low34.1Very low124 Ų124126.9 Ų126.975%0.75276%0.764SS**  trans-25.2153.7174.3-800000124.5
105M26.6Very low34.1Very low149 Ų149128.8 Ų128.873%0.73477%0.766SS**  177.1136.5126.1-87.7-83.494.400111.6
106L27.7Very low33.8Very low152 Ų152127.1 Ų127.180%0.79676%0.762SS**  53.8140.3100.3-110.570.4000116.8
107A27.6Very low33Very low92 Ų92128.7 Ų128.776%0.7676%0.763SS**  cis-160178.48.600000114.6
108E26.3Very low32.9Very low184 Ų184130.1 Ų130.186%0.8677%0.765SS**  trans-62.8160.9164.5-174.5-179.2137.300112.2
109P39.2Very low33Very low117 Ų117125.3 Ų125.376%0.7676%0.762SS**  cis-139.1-179.83231.9-6.6000119.8
110A30.1Very low32.6Very low88 Ų88126.8 Ų126.873%0.72777%0.772SS**  trans-82.5-161.6165.400000111.2
111P43Very low31.4Very low105 Ų105130.3 Ų130.368%0.68278%0.778SS**  cis-148.7-179.124.446.8-26000118.9
112V29.7Very low31.8Very low141 Ų141129.7 Ų129.786%0.85577%0.774SS**  trans59161.6164.2-49.50000117.8
113A28.1Very low31.7Very low93 Ų93125.6 Ų125.677%0.76977%0.77SS**  cis-145170.97.200000114.2
114T24.1Very low31.3Very low126 Ų126130.9 Ų130.977%0.77378%0.777SS**  trans-66.3160.5-171.550.20000120.5
115V27.8Very low32.4Very low125 Ų125130.7 Ų130.776%0.75878%0.778SS**  trans86.5132.5151.7-137.90000122.4
116T25.4Very low32.4Very low116 Ų116126.8 Ų126.871%0.71278%0.775SS**  trans106.1116.3136-0.10000122.8
117L30.3Very low32.8Very low141 Ų141130.8 Ų130.874%0.73878%0.782SS**  trans51.2134.4145.3-103.577.6000124.9
118E26.7Very low33.5Very low186 Ų186131.3 Ų131.387%0.86978%0.777SS**  trans55.1146143.7-73.5-170.5132.800123.4
119G28.3Very low33.9Very low72 Ų72128.9 Ų128.974%0.74277%0.77SS**  trans126.4113.1166.400000115
120P44.4Very low34Very low128 Ų128129 Ų12983%0.83177%0.771SS**  trans-105.6-173179.540.5-35.2000114.7
121E28.9Very low33.9Very low187 Ų187128.5 Ų128.587%0.87478%0.775SS**  trans90.7152.4170.3-77.1-132.787.500119.6
122P53.1Low33.8Very low109 Ų109131.3 Ų131.371%0.70878%0.779SS**  trans-133.3176.8-140.844.6-30.2000116.6
123A29.6Very low34.3Very low87 Ų87130 Ų13072%0.71977%0.773SS**  trans-173.6128.114500000116.1
124Y33Very low34.4Very low227 Ų227129 Ų12989%0.8977%0.772SS**  trans69.1160.5141-83.7-107.5000121.4
125P49.6Very low34.8Very low119 Ų119131 Ų13177%0.77377%0.772SS**  trans-138.7-176.5-138.846.9-31.4000118.4
126G28.1Very low35.2Very low67 Ų67131.2 Ų131.269%0.69177%0.774SS**  trans103.3151.3164.800000114.4
127Y35.7Very low35.5Very low237 Ų237129.2 Ų129.293%0.92978%0.776SS**  cis-137.5-178.13.2-112.8-107.3000109.5
128P42.8Very low35.6Very low103 Ų103127.4 Ų127.467%0.66978%0.775SS**  trans-118.4178.3-149.844.6-38.7000118.4
129D33.5Very low36.3Very low132 Ų132126.8 Ų126.871%0.70678%0.778SS**  trans67.8168152-117.328.8000118.2
130P42.6Very low36.7Very low121 Ų121127.2 Ų127.279%0.78677%0.77SS**  cis-122.5150-1.938.7-23.9000116.8
131G28.1Very low37Very low77 Ų77127.1 Ų127.179%0.79477%0.769SS**  trans-165.149.1179.300000113.8
132Q39.4Very low37.9Very low164 Ų164121.9 Ų121.977%0.76675%0.751SS**  trans-67.4171.5-178.6-90.4-166.1-15.200114.7
133P40.5Very low37.9Very low113 Ų113122.3 Ų122.373%0.73475%0.748SS**  cis-126.2163.42.736.6-20.9000115.5
134G30.8Very low39.1Very low73 Ų73124.3 Ų124.375%0.75375%0.746SS**  trans170.951.9176.600000118.8
135H32.7Very low40.8Very low167 Ų167117.8 Ų117.877%0.77373%0.734SS**  trans-21140.8157.8-65-92.4000116.5
136T34.9Very low41.9Very low129 Ų129117.7 Ų117.779%0.79172%0.723SS**  cis-149.8159.80.443.40000107.6
137G33Very low44.5Very low74 Ų74117 Ų11776%0.76370%0.702SS**  cis100.2752700000111.1
138S32.1Very low46.9Very low103 Ų103107 Ų10772%0.7267%0.671SS**  trans-154.766.9173.3-171.60000112.5
139D41.2Very low49.2Very low173 Ų173106.5 Ų106.593%0.92566%0.663SS**  trans-67123.2149-100.1-51.3000107.8
140S36.7Very low52Low82 Ų82106.2 Ų106.257%0.57365%0.651SS**  trans-138.6109.9-177.167.70000112.3P142S140-P142 WeakPolarHBondContact O-CD 3.48Å
141P51.2Low54.4Low126 Ų126105.4 Ų105.482%0.81864%0.637SS**  trans-107.964.9167.938-30.9000113.6
142P48.3Very low57.5Low77 Ų77105.4 Ų105.450%0.562%0.619SS.*  trans-84.4-23.716635.3-33.9000112.8S140 N144 S145 Q146S140-P142 WeakPolarHBondContact O-CD 3.48Å; P142-N144 PolarHBondContact O-N 3.1Å; P142-S145 PolarHBondContact O-N 3.39Å; P142-S145 VanDerWaalsContact O-N 3.11Å; P142-Q146 PolarHBondContact O-N 2.68Å
143D52Low60.2Low118 Ų11897.7 Ų97.763%0.63158%0.583SS**THydrogen-bonded Turntrans-76.848.1-165.1-141.958.3000113.5E147D143-E147 VanDerWaalsContact CA-OE2 3.32Å; D143-E147 WeakPolarHBondContact CA-OE2 3.34Å
144N54.7Low62.8Low129 Ų12995.9 Ų95.969%0.6956%0.563SS**THydrogen-bonded Turntrans-155.8-34.7175.1-161-17.8000109.9P142 E147 G148P142-N144 PolarHBondContact O-N 3.1Å; N144-E147 PolarHBondContact N-OE2 3.34Å; N144-G148 PolarHBondContact O-N 2.78Å
145S68.8Low65.8Low90 Ų9097.1 Ų97.163%0.62955%0.548SS*.Hα-helixtrans-70-40170.4-63.60000111.4P142 L149P142-S145 PolarHBondContact O-N 3.39Å; P142-S145 VanDerWaalsContact O-N 3.11Å; S145-L149 WeakPolarHBondContact O-CG 3.49Å; S145-L149 PolarHBondContact O-N 3.31Å
146Q73.7Confident68.7Low116 Ų11690.5 Ų90.554%0.54252%0.52SS..Hα-helixtrans-65.6-40.3175-178.5176.7-87.100111.4P142 L149 R150P142-Q146 PolarHBondContact O-N 2.68Å; Q146-L149 WeakPolarHBondContact O-CB 3.27Å; Q146-L149 PolarHBondContact O-N 2.64Å; Q146-R150 WeakPolarHBondContact O-CB 3.47Å; Q146-R150 PolarHBondContact O-N 2.9Å
147E81.7Confident71.5Confident53 Ų5384.4 Ų84.425%0.24848%0.482CS..Hα-helixtrans-68.4-40.7179.6-76.642.8-106.400110.5D143 N144 L149 R150 E151D143-E147 VanDerWaalsContact CA-OE2 3.32Å; D143-E147 WeakPolarHBondContact CA-OE2 3.34Å; N144-E147 PolarHBondContact N-OE2 3.34Å; E147-L149 PolarHBondContact O-N 2.91Å; E147-R150 PolarHBondContact O-N 2.75Å; E147-E151 WeakPolarHBondContact O-CB 3.22Å; E147-E151 PolarHBondContact O-N 2.97Å
148G87.3Confident74.3Confident28 Ų2883.4 Ų83.429%0.28946%0.458SS..Hα-helixtrans-60.3-41.1170.300000113.2N144 N152N144-G148 PolarHBondContact O-N 2.78Å; G148-N152 WeakPolarHBondContact O-CB 3.48Å; G148-N152 PolarHBondContact O-N 2.8Å; G148-N152 PolarHBondContact O-ND2 2.89Å; G148-N152 VanDerWaalsContact O-ND2 3.07Å
149L90Very high77.1Confident92 Ų9284.5 Ų84.548%0.48245%0.45SS..Hα-helixtrans-65.6-44.5173.3-73.3169000111.7S145 Q146 E147 E151 N152 L153S145-L149 WeakPolarHBondContact O-CG 3.49Å; S145-L149 PolarHBondContact O-N 3.31Å; Q146-L149 WeakPolarHBondContact O-CB 3.27Å; Q146-L149 PolarHBondContact O-N 2.64Å; E147-L149 PolarHBondContact O-N 2.91Å; L149-E151 VanDerWaalsContact C-N 3.35Å; L149-E151 PolarHBondContact O-N 2.89Å; L149-N152 PolarHBondContact O-N 3.44Å; L149-L153 VanDerWaalsContact O-CB 3.31Å; L149-L153 WeakPolarHBondContact O-CB 3.45Å; L149-L153 PolarHBondContact O-N 3.09Å
150R91.6Very high79.4Confident125 Ų12576.7 Ų76.747%0.47241%0.408SS..Hα-helixtrans-60.7-41.9177-168.9179.9-173.2178.43.4111.7Q146 E147 K154 L202 I206Q146-R150 WeakPolarHBondContact O-CB 3.47Å; Q146-R150 PolarHBondContact O-N 2.9Å; E147-R150 PolarHBondContact O-N 2.75Å; R150-K154 VanDerWaalsContact O-CB 3.27Å; R150-K154 WeakPolarHBondContact O-CB 3.31Å; R150-K154 PolarHBondContact O-N 2.89Å; R150-L202 HydrophobicContact CG-CD1 4.48Å; R150-I206 HydrophobicContact CG-CD1 3.86Å; R150-I206 HydrophobicContact CG-CG1 4.12Å
151E93.6Very high81.9Confident105 Ų10573 Ų7349%0.49138%0.382SS..Hα-helixtrans-65.9-42.2173.2-87.1-160.3-159.300112.9E147 L149 L153 K154 K155E147-E151 WeakPolarHBondContact O-CB 3.22Å; E147-E151 PolarHBondContact O-N 2.97Å; L149-E151 VanDerWaalsContact C-N 3.35Å; L149-E151 PolarHBondContact O-N 2.89Å; E151-L153 VanDerWaalsContact C-N 3.34Å; E151-K154 WeakPolarHBondContact O-CB 3.2Å; E151-K154 PolarHBondContact O-N 2.91Å; E151-K155 WeakPolarHBondContact O-CB 3.41Å; E151-K155 WeakPolarHBondContact O-CD 3.34Å; E151-K155 WeakPolarHBondContact O-CG 3.32Å; E151-K155 PolarHBondContact O-N 3.13Å; E151-K155 WeakPolarHBondContact OE2-CE 3.26Å; E151-K155 IonicContact OE2-NZ 3.35Å; E151-K155 PolarHBondContact OE2-NZ 3.24Å
152N93.9Very high83.6Confident76 Ų7667.6 Ų67.641%0.40635%0.347SS..Hα-helixtrans-67.7-38.3178.8-71.7-27.2000111.2G148 L149 T156 L196G148-N152 WeakPolarHBondContact O-CB 3.48Å; G148-N152 PolarHBondContact O-N 2.8Å; G148-N152 PolarHBondContact O-ND2 2.89Å; G148-N152 VanDerWaalsContact O-ND2 3.07Å; L149-N152 PolarHBondContact O-N 3.44Å; N152-T156 WeakPolarHBondContact O-CB 3.48Å; N152-T156 PolarHBondContact O-N 3.24Å; N152-T156 PolarHBondContact O-OG1 3.34Å; N152-L196 HydrophobicContact CB-CD1 4.32Å; N152-L196 HydrophobicContact CB-CD2 4.36Å
153L95Very high85.2Confident2 Ų268.9 Ų68.91%0.0134%0.342CS..Hα-helixtrans-63.6-45.8171.8179.153.9000111L149 E151 T156 L157 V193 L196 S197 L202 I203 I206L149-L153 VanDerWaalsContact O-CB 3.31Å; L149-L153 WeakPolarHBondContact O-CB 3.45Å; L149-L153 PolarHBondContact O-N 3.09Å; E151-L153 VanDerWaalsContact C-N 3.34Å; L153-T156 PolarHBondContact O-N 2.97Å; L153-L157 HydrophobicContact CD1-CD1 3.86Å; L153-L157 HydrophobicContact CD1-CG 4.09Å; L153-L157 HydrophobicContact CG-CD1 3.95Å; L153-L157 WeakPolarHBondContact O-CB 3.47Å; L153-L157 VanDerWaalsContact O-CG 3.28Å; L153-L157 WeakPolarHBondContact O-CG 3.11Å; L153-L157 PolarHBondContact O-N 2.66Å; L153-V193 HydrophobicContact CD1-CG1 3.83Å; L153-L196 HydrophobicContact CB-CB 4.28Å; L153-L196 HydrophobicContact CD1-CB 4.24Å; L153-S197 VanDerWaalsContact CD2-CB 3.49Å; L153-L202 HydrophobicContact CD2-CD2 4.2Å; L153-L202 HydrophobicContact CD2-CG 4.25Å; L153-I203 HydrophobicContact CD1-CG1 4.32Å; L153-I203 HydrophobicContact CD2-CG1 4.16Å; L153-I206 HydrophobicContact CB-CD1 4.14Å; L153-I206 HydrophobicContact CD2-CD1 3.46Å; L153-I206 VanDerWaalsContact CD2-CD1 3.46Å; L153-I206 HydrophobicContact CG-CD1 3.69Å
154K94.7Very high86.7Confident75 Ų7569.5 Ų69.533%0.32634%0.342SS..Hα-helixtrans-53.6-55.3172.9-174.6-172.3166.51700111.8R150 E151 T156 L157 E158 I206 L210R150-K154 VanDerWaalsContact O-CB 3.27Å; R150-K154 WeakPolarHBondContact O-CB 3.31Å; R150-K154 PolarHBondContact O-N 2.89Å; E151-K154 WeakPolarHBondContact O-CB 3.2Å; E151-K154 PolarHBondContact O-N 2.91Å; K154-T156 VanDerWaalsContact C-N 3.26Å; K154-T156 PolarHBondContact O-N 3.19Å; K154-L157 PolarHBondContact O-N 2.84Å; K154-E158 WeakPolarHBondContact CE-OE1 3.45Å; K154-E158 IonicContact NZ-OE1 2.65Å; K154-E158 WeakPolarHBondContact O-CB 3.26Å; K154-E158 WeakPolarHBondContact O-CG 3.34Å; K154-E158 PolarHBondContact O-N 2.93Å; K154-I206 HydrophobicContact CB-CG2 3.83Å; K154-I206 HydrophobicContact CG-CG2 4.08Å; K154-L210 HydrophobicContact CD-CD2 4.18Å; K154-L210 HydrophobicContact CG-CD2 3.52Å
155K93.9Very high88.3Confident100 Ų10064.6 Ų64.644%0.43532%0.315SS..Hα-helixtrans-60-35.4179.4-67.9158.7-165.4164.90112.3E151 F159E151-K155 WeakPolarHBondContact O-CB 3.41Å; E151-K155 WeakPolarHBondContact O-CD 3.34Å; E151-K155 WeakPolarHBondContact O-CG 3.32Å; E151-K155 PolarHBondContact O-N 3.13Å; E151-K155 WeakPolarHBondContact OE2-CE 3.26Å; E151-K155 IonicContact OE2-NZ 3.35Å; E151-K155 PolarHBondContact OE2-NZ 3.24Å; K155-F159 WeakPolarHBondContact O-CB 3.34Å; K155-F159 PolarHBondContact O-N 3.47Å
156T93.9Very high89.1Confident28 Ų2860.3 Ų60.317%0.17229%0.285CS..Hα-helixtrans-70.3-42.7176.9-58.50000111.7N152 L153 K154 F159 C160 H192 V193 L196N152-T156 WeakPolarHBondContact O-CB 3.48Å; N152-T156 PolarHBondContact O-N 3.24Å; N152-T156 PolarHBondContact O-OG1 3.34Å; L153-T156 PolarHBondContact O-N 2.97Å; K154-T156 VanDerWaalsContact C-N 3.26Å; K154-T156 PolarHBondContact O-N 3.19Å; T156-F159 PolarHBondContact O-N 3.08Å; T156-C160 WeakPolarHBondContact O-CB 3.37Å; T156-C160 PolarHBondContact O-N 2.84Å; T156-C160 PolarHBondContact O-SG 3.48Å; T156-C160 VanDerWaalsContact O-SG 3.37Å; T156-H192 HydrophobicContact CG2-CB 3.73Å; T156-V193 HydrophobicContact CG2-CG2 3.98Å; T156-L196 HydrophobicContact CG2-CD1 4.37Å; T156-L196 VanDerWaalsContact OG1-CD1 3.26Å; T156-L196 WeakPolarHBondContact OG1-CD1 3.31Å
157L93.9Very high89.5Confident0 Ų056 Ų560%027%0.269CS..Hα-helixtrans-67.6-41.2176-67.7166.2000111.7L153 K154 F159 C160 L161 V187 V193 I203 I206 L207 L210L153-L157 HydrophobicContact CD1-CD1 3.86Å; L153-L157 HydrophobicContact CD1-CG 4.09Å; L153-L157 HydrophobicContact CG-CD1 3.95Å; L153-L157 WeakPolarHBondContact O-CB 3.47Å; L153-L157 VanDerWaalsContact O-CG 3.28Å; L153-L157 WeakPolarHBondContact O-CG 3.11Å; L153-L157 PolarHBondContact O-N 2.66Å; K154-L157 PolarHBondContact O-N 2.84Å; L157-F159 VanDerWaalsContact C-N 3.33Å; L157-F159 PolarHBondContact O-N 3.22Å; L157-C160 PolarHBondContact O-N 3.08Å; L157-L161 WeakPolarHBondContact O-CB 3.33Å; L157-L161 PolarHBondContact O-N 3.44Å; L157-V187 HydrophobicContact CD2-CG1 3.55Å; L157-V193 HydrophobicContact CD2-CG1 3.94Å; L157-V193 HydrophobicContact CD2-CG2 3.81Å; L157-I203 HydrophobicContact CD1-CG2 4.29Å; L157-I203 HydrophobicContact CD2-CG2 4.33Å; L157-I206 HydrophobicContact CD1-CB 4.27Å; L157-I206 HydrophobicContact CD1-CG2 3.79Å; L157-L207 HydrophobicContact CB-CD2 4Å; L157-L207 HydrophobicContact CD1-CD2 4.16Å; L157-L207 HydrophobicContact CD1-CG 4.22Å; L157-L207 HydrophobicContact CD2-CD2 4.16Å; L157-L207 HydrophobicContact CG-CD2 4.33Å; L157-L210 HydrophobicContact CB-CD1 4.16Å
158E91.8Very high89.8Confident54 Ų5457.4 Ų57.425%0.25229%0.285SS..Hα-helixtrans-57.4-44171-74.7173.5162.800111.7K154 S162 L210K154-E158 WeakPolarHBondContact CE-OE1 3.45Å; K154-E158 IonicContact NZ-OE1 2.65Å; K154-E158 WeakPolarHBondContact O-CB 3.26Å; K154-E158 WeakPolarHBondContact O-CG 3.34Å; K154-E158 PolarHBondContact O-N 2.93Å; E158-S162 WeakPolarHBondContact O-CA 3.41Å; E158-S162 WeakPolarHBondContact O-CB 3.24Å; E158-S162 PolarHBondContact O-N 3.16Å; E158-L210 HydrophobicContact CG-CD1 3.78Å; E158-L210 HydrophobicContact CG-CD2 3.48Å; E158-L210 VanDerWaalsContact CG-CD2 3.48Å; E158-L210 HydrophobicContact CG-CG 4.24Å; E158-L210 VanDerWaalsContact OE1-CD2 3.31Å; E158-L210 WeakPolarHBondContact OE1-CD2 3.11Å
159F91.8Very high89.9Confident125 Ų12557.8 Ų57.855%0.54828%0.281SS..Hα-helixtrans-66.2-52.4176.4177.3-95.5000112.2K155 T156 L157 L161 S162 N165K155-F159 WeakPolarHBondContact O-CB 3.34Å; K155-F159 PolarHBondContact O-N 3.47Å; T156-F159 PolarHBondContact O-N 3.08Å; L157-F159 VanDerWaalsContact C-N 3.33Å; L157-F159 PolarHBondContact O-N 3.22Å; F159-L161 VanDerWaalsContact C-N 3.31Å; F159-L161 PolarHBondContact O-N 3.05Å; F159-S162 VanDerWaalsContact O-CB 3.26Å; F159-S162 WeakPolarHBondContact O-CB 3.45Å; F159-S162 PolarHBondContact O-N 2.8Å; F159-S162 VanDerWaalsContact O-N 3.15Å; F159-S162 PolarHBondContact O-OG 2.98Å; F159-N165 WeakPolarHBondContact O-CB 3.33Å
160C89.8Confident90Very high9 Ų959.4 Ų59.46%0.06129%0.287CS..Hα-helixtrans-62.1-36.3-176.9-72.70000112.9T156 L157 N165 L172 L190T156-C160 WeakPolarHBondContact O-CB 3.37Å; T156-C160 PolarHBondContact O-N 2.84Å; T156-C160 PolarHBondContact O-SG 3.48Å; T156-C160 VanDerWaalsContact O-SG 3.37Å; L157-C160 PolarHBondContact O-N 3.08Å; C160-N165 PolarHBondContact O-ND2 2.84Å; C160-L172 WeakPolarHBondContact O-CD1 3.11Å; C160-L190 HydrophobicContact CB-CD1 3.93Å
161L88.6Confident90.1Very high5 Ų558.9 Ų58.93%0.02629%0.286CS..THydrogen-bonded Turntrans-96.98178.8-57.9175.6000113.3L157 F159 V187 L207 V213 V222L157-L161 WeakPolarHBondContact O-CB 3.33Å; L157-L161 PolarHBondContact O-N 3.44Å; F159-L161 VanDerWaalsContact C-N 3.31Å; F159-L161 PolarHBondContact O-N 3.05Å; L161-V187 HydrophobicContact CD1-CG1 4.48Å; L161-V187 HydrophobicContact CD2-CG2 4.12Å; L161-L207 HydrophobicContact CD1-CD2 3.51Å; L161-V213 HydrophobicContact CB-CG1 3.72Å; L161-V213 HydrophobicContact CD1-CG1 3.88Å; L161-V213 HydrophobicContact CG-CG1 4.43Å; L161-V222 HydrophobicContact CD1-CG1 3.84Å; L161-V222 HydrophobicContact CD1-CG2 3.97Å; L161-V222 HydrophobicContact CD2-CG1 4.42Å
162S86.9Confident90Very high12 Ų1253.9 Ų53.98%0.08426%0.263CS..SBendtrans-59.5153173.866.90000111.5E158 F159 E164 N165 L166E158-S162 WeakPolarHBondContact O-CA 3.41Å; E158-S162 WeakPolarHBondContact O-CB 3.24Å; E158-S162 PolarHBondContact O-N 3.16Å; F159-S162 VanDerWaalsContact O-CB 3.26Å; F159-S162 WeakPolarHBondContact O-CB 3.45Å; F159-S162 PolarHBondContact O-N 2.8Å; F159-S162 VanDerWaalsContact O-N 3.15Å; F159-S162 PolarHBondContact O-OG 2.98Å; S162-E164 PolarHBondContact O-N 2.78Å; S162-N165 PolarHBondContact O-N 2.96Å; S162-N165 WeakPolarHBondContact OG-CB 3.23Å; S162-N165 PolarHBondContact OG-N 3.17Å; S162-L166 WeakPolarHBondContact O-CB 3.21Å; S162-L166 PolarHBondContact O-N 2.95Å
163R81.6Confident89.9Confident104 Ų10451.4 Ų51.439%0.39225%0.249SC..THydrogen-bonded Turntrans-61.9-29.3-179.2171.3171.5176.4-72.3-0.4112.4A167 A305 I306R163-A167 WeakPolarHBondContact O-CB 3.28Å; R163-A167 PolarHBondContact O-N 2.9Å; R163-A305 PolarHBondContact NE-O 2.85Å; R163-A305 PolarHBondContact NH2-O 2.85Å; R163-I306 HydrophobicContact CB-CG2 4.46Å; R163-I306 HydrophobicContact CG-CG2 3.95Å
164E83.6Confident89.7Confident132 Ų13255.3 Ų55.362%0.61728%0.277SS*.THydrogen-bonded Turntrans-85.1-41.9179.549.1-87.5-147.300112.7S162 A167 S168S162-E164 PolarHBondContact O-N 2.78Å; E164-A167 PolarHBondContact O-N 3.06Å; E164-S168 PolarHBondContact O-N 2.9Å; E164-S168 PolarHBondContact O-OG 3.46Å
165N87.4Confident89.6Confident26 Ų2655.3 Ų55.314%0.13928%0.278CS..Hα-helixtrans-64.3-51.8171.2-169.174.7000109.9F159 C160 S162 A167 S168 D169F159-N165 WeakPolarHBondContact O-CB 3.33Å; C160-N165 PolarHBondContact O-ND2 2.84Å; S162-N165 PolarHBondContact O-N 2.96Å; S162-N165 WeakPolarHBondContact OG-CB 3.23Å; S162-N165 PolarHBondContact OG-N 3.17Å; N165-A167 PolarHBondContact O-N 3.25Å; N165-A167 VanDerWaalsContact O-N 3.07Å; N165-S168 CarbonylContact O-C 3.55Å; N165-S168 PolarHBondContact O-N 3.33Å; N165-S168 PolarHBondContact O-OG 2.98Å; N165-S168 VanDerWaalsContact O-OG 3.09Å; N165-D169 PolarHBondContact ND2-OD2 2.83Å; N165-D169 VanDerWaalsContact O-CB 3.23Å; N165-D169 WeakPolarHBondContact O-CB 3.43Å; N165-D169 PolarHBondContact O-N 3.29Å
166L86.1Confident89.4Confident0 Ų052.2 Ų52.20%027%0.265CS..Hα-helixtrans-68.3-10.4-179.6-155.876.1000114.3S162 L172 I173 M176 P224 I308S162-L166 WeakPolarHBondContact O-CB 3.21Å; S162-L166 PolarHBondContact O-N 2.95Å; L166-L172 HydrophobicContact CD1-CB 3.45Å; L166-L172 VanDerWaalsContact CD1-CB 3.45Å; L166-L172 HydrophobicContact CD1-CD1 4.01Å; L166-L172 HydrophobicContact CD1-CG 4.36Å; L166-I173 WeakPolarHBondContact O-CD1 3.24Å; L166-I173 WeakPolarHBondContact O-CG1 3.28Å; L166-M176 HydrophobicContact CD1-SD 4.48Å; L166-M176 HydrophobicContact CD2-CE 3.65Å; L166-M176 HydrophobicContact CD2-SD 3.89Å; L166-M176 HydrophobicContact CG-SD 4.14Å; L166-P224 HydrophobicContact CD2-CG 3.25Å; L166-I308 HydrophobicContact CD2-CD1 4.29Å
167A83Confident89.3Confident25 Ų2553.5 Ų53.521%0.20727%0.271CS..Hα-helixtrans-86-13.7169.400000113.8R163 E164 N165 A307R163-A167 WeakPolarHBondContact O-CB 3.28Å; R163-A167 PolarHBondContact O-N 2.9Å; E164-A167 PolarHBondContact O-N 3.06Å; N165-A167 PolarHBondContact O-N 3.25Å; N165-A167 VanDerWaalsContact O-N 3.07Å; A167-A307 WeakPolarHBondContact CB-O 3.17Å
168S86.5Confident88.9Confident82 Ų8258.9 Ų58.957%0.57331%0.309SS*.Hα-helixtrans-121.6-26.8-175.355.30000114.1E164 N165 M170E164-S168 PolarHBondContact O-N 2.9Å; E164-S168 PolarHBondContact O-OG 3.46Å; N165-S168 CarbonylContact O-C 3.55Å; N165-S168 PolarHBondContact O-N 3.33Å; N165-S168 PolarHBondContact O-OG 2.98Å; N165-S168 VanDerWaalsContact O-OG 3.09Å; S168-M170 PolarHBondContact O-N 2.94Å
169D90.3Very high88.6Confident37 Ų3761 Ų6120%0.19832%0.322CS..  trans-72.791.1178.8-170.1-32.6000110.9N165 Y171 L172 I173N165-D169 PolarHBondContact ND2-OD2 2.83Å; N165-D169 VanDerWaalsContact O-CB 3.23Å; N165-D169 WeakPolarHBondContact O-CB 3.43Å; N165-D169 PolarHBondContact O-N 3.29Å; D169-Y171 PolarHBondContact O-N 2.8Å; D169-Y171 WeakPolarHBondContact OD1-CB 3.49Å; D169-Y171 PolarHBondContact OD1-N 2.76Å; D169-L172 HydrophobicContact CB-CB 4.23Å; D169-L172 HydrophobicContact CB-CD1 4.45Å; D169-L172 PolarHBondContact O-N 3.11Å; D169-L172 PolarHBondContact OD1-N 3.5Å; D169-L172 WeakPolarHBondContact OD2-CD1 3.41Å; D169-L172 WeakPolarHBondContact OD2-CG 3.32Å; D169-I173 WeakPolarHBondContact O-CB 3.46Å; D169-I173 WeakPolarHBondContact O-CD1 3.5Å; D169-I173 WeakPolarHBondContact O-CG1 3.27Å; D169-I173 PolarHBondContact O-N 2.8Å
170M91.4Very high88.4Confident126 Ų12657.6 Ų57.662%0.62131%0.307SS*.Hα-helixtrans-58.2-27.9179.2-66.4-118.566.200113.1S168 S174S168-M170 PolarHBondContact O-N 2.94Å; M170-S174 VanDerWaalsContact O-CB 3.3Å; M170-S174 WeakPolarHBondContact O-CB 3.1Å; M170-S174 PolarHBondContact O-N 2.83Å; M170-S174 VanDerWaalsContact O-N 3.08Å; M170-S174 PolarHBondContact O-OG 3.14Å
171Y93.6Very high88.5Confident114 Ų11458.6 Ų58.645%0.44731%0.31SS..Hα-helixtrans-71.8-56177.7174-106.4000110.1D169 I173 S174 Q175 T186 L190D169-Y171 PolarHBondContact O-N 2.8Å; D169-Y171 WeakPolarHBondContact OD1-CB 3.49Å; D169-Y171 PolarHBondContact OD1-N 2.76Å; Y171-I173 VanDerWaalsContact C-N 3.31Å; Y171-I173 PolarHBondContact O-N 3.19Å; Y171-S174 PolarHBondContact O-N 3.05Å; Y171-S174 PolarHBondContact O-OG 3.28Å; Y171-Q175 HydrophobicContact CD2-CG 4.37Å; Y171-Q175 HydrophobicContact CE1-CG 4.4Å; Y171-Q175 HydrophobicContact CE2-CG 4.05Å; Y171-Q175 VanDerWaalsContact O-CG 3.25Å; Y171-Q175 WeakPolarHBondContact O-CG 3.38Å; Y171-Q175 PolarHBondContact O-N 3.08Å; Y171-Q175 PolarHBondContact OH-NE2 3.28Å; Y171-T186 HydrophobicContact CE1-CG2 3.66Å; Y171-L190 HydrophobicContact CD1-CD2 4.12Å; Y171-L190 HydrophobicContact CE1-CD2 4.05Å
172L92.8Very high88.8Confident0 Ų058.4 Ų58.40%031%0.309CS..Hα-helixtrans-61.1-39.6178.9-69.4178.7000111.9C160 L166 D169 S174 Q175 M176 V182 T186 L190C160-L172 WeakPolarHBondContact O-CD1 3.11Å; L166-L172 HydrophobicContact CD1-CB 3.45Å; L166-L172 VanDerWaalsContact CD1-CB 3.45Å; L166-L172 HydrophobicContact CD1-CD1 4.01Å; L166-L172 HydrophobicContact CD1-CG 4.36Å; D169-L172 HydrophobicContact CB-CB 4.23Å; D169-L172 HydrophobicContact CB-CD1 4.45Å; D169-L172 PolarHBondContact O-N 3.11Å; D169-L172 PolarHBondContact OD1-N 3.5Å; D169-L172 WeakPolarHBondContact OD2-CD1 3.41Å; D169-L172 WeakPolarHBondContact OD2-CG 3.32Å; L172-S174 VanDerWaalsContact C-N 3.33Å; L172-S174 PolarHBondContact O-N 3.25Å; L172-Q175 CarbonylContact O-C 3.28Å; L172-Q175 PolarHBondContact O-N 3.27Å; L172-Q175 VanDerWaalsContact O-N 3.13Å; L172-M176 VanDerWaalsContact O-CG 3.26Å; L172-M176 WeakPolarHBondContact O-CG 3.32Å; L172-M176 PolarHBondContact O-N 3.5Å; L172-V182 HydrophobicContact CD2-CG1 4.17Å; L172-T186 HydrophobicContact CD2-CG2 4.27Å; L172-L190 HydrophobicContact CD1-CD1 4.26Å; L172-L190 HydrophobicContact CD2-CD1 4.23Å; L172-L190 HydrophobicContact CD2-CD2 4.18Å
173I90.8Very high89.2Confident23 Ų2359.8 Ų59.812%0.11832%0.318CS..Hα-helixtrans-58.1-43.5173.1-66.6164.9000111.5L166 D169 Y171 Q175 M176 I308L166-I173 WeakPolarHBondContact O-CD1 3.24Å; L166-I173 WeakPolarHBondContact O-CG1 3.28Å; D169-I173 WeakPolarHBondContact O-CB 3.46Å; D169-I173 WeakPolarHBondContact O-CD1 3.5Å; D169-I173 WeakPolarHBondContact O-CG1 3.27Å; D169-I173 PolarHBondContact O-N 2.8Å; Y171-I173 VanDerWaalsContact C-N 3.31Å; Y171-I173 PolarHBondContact O-N 3.19Å; I173-Q175 PolarHBondContact O-N 3.23Å; I173-M176 WeakPolarHBondContact O-CB 3.39Å; I173-M176 WeakPolarHBondContact O-CG 3.44Å; I173-M176 PolarHBondContact O-N 3.15Å; I173-I308 HydrophobicContact CD1-CG2 4.34Å; I173-I308 HydrophobicContact CG1-CG2 4.05Å; I173-I308 HydrophobicContact CG2-CG2 4.47Å
174S90.8Very high89.8Confident85 Ų8554.9 Ų54.959%0.59430%0.3SS*.Hα-helixtrans-67.6-19.5179.872.40000113.8M170 Y171 L172M170-S174 VanDerWaalsContact O-CB 3.3Å; M170-S174 WeakPolarHBondContact O-CB 3.1Å; M170-S174 PolarHBondContact O-N 2.83Å; M170-S174 VanDerWaalsContact O-N 3.08Å; M170-S174 PolarHBondContact O-OG 3.14Å; Y171-S174 PolarHBondContact O-N 3.05Å; Y171-S174 PolarHBondContact O-OG 3.28Å; L172-S174 VanDerWaalsContact C-N 3.33Å; L172-S174 PolarHBondContact O-N 3.25Å
175Q92.4Very high90.4Very high74 Ų7453 Ų5335%0.34630%0.297SS..THydrogen-bonded Turntrans-98.85.9-179.9-59.2-81.761.600112.6Y171 L172 I173 V182 P183 T186Y171-Q175 HydrophobicContact CD2-CG 4.37Å; Y171-Q175 HydrophobicContact CE1-CG 4.4Å; Y171-Q175 HydrophobicContact CE2-CG 4.05Å; Y171-Q175 VanDerWaalsContact O-CG 3.25Å; Y171-Q175 WeakPolarHBondContact O-CG 3.38Å; Y171-Q175 PolarHBondContact O-N 3.08Å; Y171-Q175 PolarHBondContact OH-NE2 3.28Å; L172-Q175 CarbonylContact O-C 3.28Å; L172-Q175 PolarHBondContact O-N 3.27Å; L172-Q175 VanDerWaalsContact O-N 3.13Å; I173-Q175 PolarHBondContact O-N 3.23Å; Q175-V182 HydrophobicContact CB-CG1 4.42Å; Q175-P183 WeakPolarHBondContact O-CD 3.37Å; Q175-T186 HydrophobicContact CB-CG2 3.99Å; Q175-T186 HydrophobicContact CG-CG2 3.88Å
176M91.3Very high90.7Very high35 Ų3552.6 Ų52.617%0.17230%0.295CS..  trans-81.4137173.4-56.7-173.77700111.2L166 L172 I173 Q180 Y181 V182 I308L166-M176 HydrophobicContact CD1-SD 4.48Å; L166-M176 HydrophobicContact CD2-CE 3.65Å; L166-M176 HydrophobicContact CD2-SD 3.89Å; L166-M176 HydrophobicContact CG-SD 4.14Å; L172-M176 VanDerWaalsContact O-CG 3.26Å; L172-M176 WeakPolarHBondContact O-CG 3.32Å; L172-M176 PolarHBondContact O-N 3.5Å; I173-M176 WeakPolarHBondContact O-CB 3.39Å; I173-M176 WeakPolarHBondContact O-CG 3.44Å; I173-M176 PolarHBondContact O-N 3.15Å; M176-Q180 HydrophobicContact CE-CB 3.6Å; M176-Q180 HydrophobicContact CE-CG 4.11Å; M176-Q180 WeakPolarHBondContact CE-O 3.49Å; M176-Y181 WeakPolarHBondContact CA-O 3.41Å; M176-V182 HydrophobicContact CG-CG2 3.74Å; M176-I308 HydrophobicContact CE-CD1 3.59Å; M176-I308 HydrophobicContact SD-CD1 3.87Å; M176-I308 HydrophobicContact SD-CG2 4.36Å
177D90.3Very high91Very high56 Ų5652.6 Ų52.630%0.29930%0.295SS..  trans-82.3-178167.665.829.5000113.2D179 Q180 Y181 K221D177-D179 PolarHBondContact O-N 2.78Å; D177-D179 PolarHBondContact OD1-N 3.03Å; D177-D179 VanDerWaalsContact OD1-N 3.09Å; D177-Q180 PolarHBondContact O-N 3.12Å; D177-Q180 PolarHBondContact OD1-N 3.45Å; D177-Y181 PolarHBondContact N-O 2.94Å; D177-Y181 PolarHBondContact OD1-N 3.37Å; D177-K221 IonicContact OD2-NZ 2.64Å; D177-K221 PolarHBondContact OD2-NZ 3.44Å
178S86.1Confident91.6Very high112 Ų11251.9 Ų51.978%0.78329%0.29SS*.THydrogen-bonded Turntrans-57.8-28-178.444.40000114.4
179D84.9Confident92Very high99 Ų9952 Ų5253%0.52928%0.284SS..THydrogen-bonded Turntrans-103.716.6-174.3-61.1-67.8000112.2D177 Y181 R223D177-D179 PolarHBondContact O-N 2.78Å; D177-D179 PolarHBondContact OD1-N 3.03Å; D177-D179 VanDerWaalsContact OD1-N 3.09Å; D179-Y181 HydrophobicContact CB-CD2 4.08Å; D179-Y181 HydrophobicContact CB-CE2 4.31Å; D179-R223 PolarHBondContact O-NH1 2.94Å
180Q88.4Confident92.1Very high53 Ų5351.4 Ų51.425%0.24828%0.281CS..SBendtrans68.121.6177.1-62.4-173.3-19.800115.5M176 D177 R223 I308M176-Q180 HydrophobicContact CE-CB 3.6Å; M176-Q180 HydrophobicContact CE-CG 4.11Å; M176-Q180 WeakPolarHBondContact CE-O 3.49Å; D177-Q180 PolarHBondContact O-N 3.12Å; D177-Q180 PolarHBondContact OD1-N 3.45Å; Q180-R223 WeakPolarHBondContact O-CB 3.46Å; Q180-I308 HydrophobicContact CG-CD1 4.48Å
181Y92.3Very high92.2Very high30 Ų3050.7 Ų50.712%0.11828%0.279CS..PPolyproline II helixtrans-87.5136.9172.5-69.3-92.1000112.3M176 D177 D179 D216 K221 V222 R223M176-Y181 WeakPolarHBondContact CA-O 3.41Å; D177-Y181 PolarHBondContact N-O 2.94Å; D177-Y181 PolarHBondContact OD1-N 3.37Å; D179-Y181 HydrophobicContact CB-CD2 4.08Å; D179-Y181 HydrophobicContact CB-CE2 4.31Å; Y181-D216 HydrophobicContact CE1-CB 4.08Å; Y181-K221 HydrophobicContact CD1-CB 3.82Å; Y181-K221 HydrophobicContact CG-CB 4.23Å; Y181-V222 WeakPolarHBondContact CA-O 3.42Å; Y181-R223 HydrophobicContact CD1-CB 3.79Å; Y181-R223 HydrophobicContact CD1-CG 3.88Å; Y181-R223 HydrophobicContact CD2-CB 4.49Å; Y181-R223 HydrophobicContact CE1-CB 4.15Å; Y181-R223 HydrophobicContact CE1-CG 3.69Å; Y181-R223 HydrophobicContact CE2-CG 4.37Å; Y181-R223 HydrophobicContact CG-CB 3.99Å; Y181-R223 HydrophobicContact CG-CG 4.32Å; Y181-R223 VanDerWaalsContact OH-CZ 3.22Å; Y181-R223 PolarHBondContact OH-NE 2.97Å; Y181-R223 PolarHBondContact OH-NH2 3.07Å
182V94.6Very high92.1Very high1 Ų150.9 Ų50.91%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-99.3137.3164.4-177.10000108.1L172 Q175 M176 I184 T186 V187 K221 V222L172-V182 HydrophobicContact CD2-CG1 4.17Å; Q175-V182 HydrophobicContact CB-CG1 4.42Å; M176-V182 HydrophobicContact CG-CG2 3.74Å; V182-I184 PolarHBondContact O-N 3.02Å; V182-T186 HydrophobicContact CG1-CG2 4.09Å; V182-V187 HydrophobicContact CB-CG2 4.48Å; V182-V187 HydrophobicContact CG1-CG2 3.91Å; V182-K221 WeakPolarHBondContact O-CA 3.32Å; V182-V222 PolarHBondContact N-O 2.81Å; V182-V222 PolarHBondContact O-N 3.49Å
183P95.3Very high92.2Very high42 Ų4250.9 Ų50.927%0.27328%0.284SS..EExtended strand (participates in β ladder)trans-60.2134.9171.2-20.931.4000111.4Q175 V185 T186 V187Q175-P183 WeakPolarHBondContact O-CD 3.37Å; P183-V185 PolarHBondContact O-N 3.27Å; P183-T186 WeakPolarHBondContact O-CA 3.18Å; P183-T186 VanDerWaalsContact O-CB 3.23Å; P183-T186 WeakPolarHBondContact O-CB 3.41Å; P183-T186 PolarHBondContact O-N 3.39Å; P183-V187 PolarHBondContact O-N 3.05Å
184I95Very high92.4Very high1 Ų154.5 Ų54.51%0.00530%0.299CS..Hα-helixtrans-65.5-28.7180-72.1172.1000111.1V182 T186 V187 A188 V200 I203 V204 L207 V215 G219 E220 V222V182-I184 PolarHBondContact O-N 3.02Å; I184-T186 PolarHBondContact O-N 3.21Å; I184-V187 PolarHBondContact O-N 3.35Å; I184-V187 VanDerWaalsContact O-N 3.07Å; I184-A188 WeakPolarHBondContact O-CB 3.47Å; I184-A188 PolarHBondContact O-N 2.99Å; I184-V200 HydrophobicContact CG2-CG1 4.34Å; I184-I203 HydrophobicContact CG2-CG2 3.91Å; I184-V204 HydrophobicContact CD1-CG2 4.01Å; I184-V204 HydrophobicContact CG2-CG2 4.16Å; I184-L207 HydrophobicContact CD1-CD1 3.76Å; I184-L207 HydrophobicContact CG1-CD1 3.84Å; I184-L207 HydrophobicContact CG2-CD1 4.14Å; I184-V215 HydrophobicContact CD1-CG1 3.96Å; I184-G219 WeakPolarHBondContact CD1-O 3.3Å; I184-E220 PolarHBondContact N-O 3.25Å; I184-V222 HydrophobicContact CD1-CB 4.02Å; I184-V222 HydrophobicContact CD1-CG1 4.45Å; I184-V222 HydrophobicContact CG1-CB 3.81Å; I184-V222 HydrophobicContact CG1-CG1 3.71Å
185V94.4Very high92.5Very high93 Ų9357.4 Ų57.456%0.56430%0.301SS*.Hα-helixtrans-57-34.1169.8-177.50000112.5P183 N189P183-V185 PolarHBondContact O-N 3.27Å; V185-N189 WeakPolarHBondContact O-CB 3.08Å; V185-N189 PolarHBondContact O-N 2.88Å; V185-N189 PolarHBondContact O-ND2 3.42Å
186T94.2Very high92.5Very high16 Ų1656.6 Ų56.610%0.09830%0.298CS..Hα-helixtrans-69.8-43174.7-56.90000110.9Y171 L172 Q175 V182 P183 I184 N189 L190Y171-T186 HydrophobicContact CE1-CG2 3.66Å; L172-T186 HydrophobicContact CD2-CG2 4.27Å; Q175-T186 HydrophobicContact CB-CG2 3.99Å; Q175-T186 HydrophobicContact CG-CG2 3.88Å; V182-T186 HydrophobicContact CG1-CG2 4.09Å; P183-T186 WeakPolarHBondContact O-CA 3.18Å; P183-T186 VanDerWaalsContact O-CB 3.23Å; P183-T186 WeakPolarHBondContact O-CB 3.41Å; P183-T186 PolarHBondContact O-N 3.39Å; I184-T186 PolarHBondContact O-N 3.21Å; T186-N189 PolarHBondContact O-N 3.27Å; T186-L190 PolarHBondContact O-N 3.1Å
187V93.6Very high92.6Very high0 Ų055.6 Ų55.60%030%0.295CS..Hα-helixtrans-68.2-43.2179.9-175.60000111.1L157 L161 V182 P183 I184 N189 L190 V193 V222L157-V187 HydrophobicContact CD2-CG1 3.55Å; L161-V187 HydrophobicContact CD1-CG1 4.48Å; L161-V187 HydrophobicContact CD2-CG2 4.12Å; V182-V187 HydrophobicContact CB-CG2 4.48Å; V182-V187 HydrophobicContact CG1-CG2 3.91Å; P183-V187 PolarHBondContact O-N 3.05Å; I184-V187 PolarHBondContact O-N 3.35Å; I184-V187 VanDerWaalsContact O-N 3.07Å; V187-N189 PolarHBondContact O-N 3.49Å; V187-L190 HydrophobicContact CG1-CD1 4.23Å; V187-L190 VanDerWaalsContact O-CB 3.31Å; V187-L190 WeakPolarHBondContact O-CB 3.4Å; V187-L190 WeakPolarHBondContact O-CG 3.37Å; V187-L190 PolarHBondContact O-N 3.25Å; V187-L190 VanDerWaalsContact O-N 3.12Å; V187-V193 HydrophobicContact CG1-CG2 4.46Å; V187-V193 WeakPolarHBondContact O-CB 3.44Å; V187-V193 WeakPolarHBondContact O-CG2 3.19Å; V187-V222 HydrophobicContact CG2-CG1 4.05Å
188A94.7Very high92.8Very high11 Ų1158.2 Ų58.29%0.09131%0.313CS..Hα-helixtrans-63.7-27.4176.300000113.2I184 K194 I203I184-A188 WeakPolarHBondContact O-CB 3.47Å; I184-A188 PolarHBondContact O-N 2.99Å; A188-K194 WeakPolarHBondContact O-CB 3.13Å; A188-I203 HydrophobicContact CB-CD1 3.71Å
189N93.8Very high93.2Very high83 Ų8356.6 Ų56.644%0.44430%0.296SS..THydrogen-bonded Turntrans-86.8-0.6175.4-82-72.9000114.6V185 T186 V187 D191 K194V185-N189 WeakPolarHBondContact O-CB 3.08Å; V185-N189 PolarHBondContact O-N 2.88Å; V185-N189 PolarHBondContact O-ND2 3.42Å; T186-N189 PolarHBondContact O-N 3.27Å; V187-N189 PolarHBondContact O-N 3.49Å; N189-D191 PolarHBondContact O-N 3.29Å; N189-K194 PolarHBondContact OD1-NZ 2.89Å
190L93.6Very high93.5Very high26 Ų2654.9 Ų54.914%0.13629%0.289CS..SBendtrans-63.9131.7169.4-64.3174000109.9C160 Y171 L172 T186 V187 H192 V193 K194C160-L190 HydrophobicContact CB-CD1 3.93Å; Y171-L190 HydrophobicContact CD1-CD2 4.12Å; Y171-L190 HydrophobicContact CE1-CD2 4.05Å; L172-L190 HydrophobicContact CD1-CD1 4.26Å; L172-L190 HydrophobicContact CD2-CD1 4.23Å; L172-L190 HydrophobicContact CD2-CD2 4.18Å; T186-L190 PolarHBondContact O-N 3.1Å; V187-L190 HydrophobicContact CG1-CD1 4.23Å; V187-L190 VanDerWaalsContact O-CB 3.31Å; V187-L190 WeakPolarHBondContact O-CB 3.4Å; V187-L190 WeakPolarHBondContact O-CG 3.37Å; V187-L190 PolarHBondContact O-N 3.25Å; V187-L190 VanDerWaalsContact O-N 3.12Å; L190-H192 PolarHBondContact O-N 3.17Å; L190-V193 HydrophobicContact CB-CB 4.31Å; L190-V193 HydrophobicContact CB-CG2 4.08Å; L190-V193 HydrophobicContact CD1-CG2 4.3Å; L190-V193 PolarHBondContact O-N 3.29Å; L190-K194 WeakPolarHBondContact O-CB 3.49Å; L190-K194 PolarHBondContact O-N 3.02Å
191D93.6Very high93.7Very high110 Ų11059.5 Ų59.559%0.58831%0.31SS*.Hα-helixtrans-48.5-34-178.1-91.36000114.7N189 K195N189-D191 PolarHBondContact O-N 3.29Å; D191-K195 WeakPolarHBondContact O-CB 3.41Å; D191-K195 WeakPolarHBondContact O-CD 3.36Å; D191-K195 WeakPolarHBondContact O-CE 3.49Å; D191-K195 WeakPolarHBondContact O-CG 3.41Å; D191-K195 PolarHBondContact O-N 2.86Å; D191-K195 IonicContact OD2-NZ 2.75Å
192H91.6Very high93.8Very high119 Ų11961 Ų6155%0.55132%0.32SS*.Hα-helixtrans-81-33-179.3-62.6174.2000112.7T156 L190 L196T156-H192 HydrophobicContact CG2-CB 3.73Å; L190-H192 PolarHBondContact O-N 3.17Å; H192-L196 WeakPolarHBondContact O-CG 3.43Å
193V94.1Very high93.8Very high0 Ų061 Ų610%032%0.32CS..Hα-helixtrans-74.7-48.1176.2179.40000109.5L153 T156 L157 V187 L190 K195 L196 S197 I203L153-V193 HydrophobicContact CD1-CG1 3.83Å; T156-V193 HydrophobicContact CG2-CG2 3.98Å; L157-V193 HydrophobicContact CD2-CG1 3.94Å; L157-V193 HydrophobicContact CD2-CG2 3.81Å; V187-V193 HydrophobicContact CG1-CG2 4.46Å; V187-V193 WeakPolarHBondContact O-CB 3.44Å; V187-V193 WeakPolarHBondContact O-CG2 3.19Å; L190-V193 HydrophobicContact CB-CB 4.31Å; L190-V193 HydrophobicContact CB-CG2 4.08Å; L190-V193 HydrophobicContact CD1-CG2 4.3Å; L190-V193 PolarHBondContact O-N 3.29Å; V193-K195 PolarHBondContact O-N 3.45Å; V193-L196 PolarHBondContact O-N 2.76Å; V193-S197 PolarHBondContact O-N 3.49Å; V193-I203 HydrophobicContact CG1-CD1 3.73Å; V193-I203 HydrophobicContact CG1-CG1 4.39Å
194K94.4Very high93.8Very high99 Ų9959.6 Ų59.643%0.4331%0.31SS..Hα-helixtrans-60.6-28.4-178.6-165168-172161.80114.4A188 N189 L190 L196 S197A188-K194 WeakPolarHBondContact O-CB 3.13Å; N189-K194 PolarHBondContact OD1-NZ 2.89Å; L190-K194 WeakPolarHBondContact O-CB 3.49Å; L190-K194 PolarHBondContact O-N 3.02Å; K194-L196 VanDerWaalsContact C-N 3.28Å; K194-S197 WeakPolarHBondContact CA-O 3.5Å
195K93.9Very high93.8Very high146 Ų14663.6 Ų63.664%0.63533%0.332SS*.THydrogen-bonded Turntrans-75-13.9174.1-75.6165.9-159.5161.70113.6D191 V193D191-K195 WeakPolarHBondContact O-CB 3.41Å; D191-K195 WeakPolarHBondContact O-CD 3.36Å; D191-K195 WeakPolarHBondContact O-CE 3.49Å; D191-K195 WeakPolarHBondContact O-CG 3.41Å; D191-K195 PolarHBondContact O-N 2.86Å; D191-K195 IonicContact OD2-NZ 2.75Å; V193-K195 PolarHBondContact O-N 3.45Å
196L93.4Very high93.7Very high56 Ų5659.3 Ų59.329%0.29331%0.306SS..THydrogen-bonded Turntrans-110.8-35.4-177.5-63.2173.8000112.3N152 L153 T156 H192 V193 K194N152-L196 HydrophobicContact CB-CD1 4.32Å; N152-L196 HydrophobicContact CB-CD2 4.36Å; L153-L196 HydrophobicContact CB-CB 4.28Å; L153-L196 HydrophobicContact CD1-CB 4.24Å; T156-L196 HydrophobicContact CG2-CD1 4.37Å; T156-L196 VanDerWaalsContact OG1-CD1 3.26Å; T156-L196 WeakPolarHBondContact OG1-CD1 3.31Å; H192-L196 WeakPolarHBondContact O-CG 3.43Å; V193-L196 PolarHBondContact O-N 2.76Å; K194-L196 VanDerWaalsContact C-N 3.28Å
197S92.6Very high93.7Very high15 Ų1558.6 Ų58.611%0.10530%0.301CS..  trans-149.8147.5167-1790000111.3L153 V193 K194 D199L153-S197 VanDerWaalsContact CD2-CB 3.49Å; V193-S197 PolarHBondContact O-N 3.49Å; K194-S197 WeakPolarHBondContact CA-O 3.5Å; S197-D199 PolarHBondContact OG-N 3.28Å; S197-D199 PolarHBondContact OG-O 3.09Å
198T93.8Very high93.6Very high111 Ų11165.1 Ų65.168%0.68133%0.326SS*.  trans-106.6-10.6163.9-60.60000111.8
199D93.9Very high93.5Very high77 Ų7767.9 Ų67.941%0.41234%0.344SS..  trans-73.5125.6173.117528.6000111S197 E201 L202 I203S197-D199 PolarHBondContact OG-N 3.28Å; S197-D199 PolarHBondContact OG-O 3.09Å; D199-E201 PolarHBondContact OD1-N 2.99Å; D199-L202 HydrophobicContact CB-CB 4.26Å; D199-L202 WeakPolarHBondContact OD2-CB 3.49Å; D199-L202 PolarHBondContact OD2-N 3.4Å; D199-I203 VanDerWaalsContact O-CD1 3.28Å; D199-I203 WeakPolarHBondContact O-CD1 3.31Å; D199-I203 VanDerWaalsContact O-CG1 3.23Å; D199-I203 WeakPolarHBondContact O-CG1 3.35Å
200V93.1Very high93.3Very high63 Ų6364.1 Ų64.138%0.38233%0.325SS..Hα-helixtrans-80.4-31.1179.9-178.20000111.2I184 I203 V204I184-V200 HydrophobicContact CG2-CG1 4.34Å; V200-I203 PolarHBondContact O-N 2.99Å; V200-V204 HydrophobicContact CG1-CG2 4.3Å; V200-V204 VanDerWaalsContact O-CG2 3.3Å; V200-V204 WeakPolarHBondContact O-CG2 3.39Å; V200-V204 PolarHBondContact O-N 2.83Å
201E92.4Very high92.7Very high151 Ų15167.4 Ų67.471%0.70635%0.347SS*.Hα-helixtrans-70-47.6-178.2-62.6-169.6177.300110.6D199 I203 V204 D205D199-E201 PolarHBondContact OD1-N 2.99Å; E201-I203 VanDerWaalsContact C-N 3.26Å; E201-I203 PolarHBondContact O-N 2.84Å; E201-V204 PolarHBondContact O-N 3.24Å; E201-V204 VanDerWaalsContact O-N 3.11Å; E201-D205 PolarHBondContact O-N 2.65Å
202L93.6Very high92Very high61 Ų6167 Ų6732%0.31934%0.344SS..Hα-helixtrans-55.2-39169.2178.462.2000112.7R150 L153 D199 I206R150-L202 HydrophobicContact CG-CD1 4.48Å; L153-L202 HydrophobicContact CD2-CD2 4.2Å; L153-L202 HydrophobicContact CD2-CG 4.25Å; D199-L202 HydrophobicContact CB-CB 4.26Å; D199-L202 WeakPolarHBondContact OD2-CB 3.49Å; D199-L202 PolarHBondContact OD2-N 3.4Å; L202-I206 HydrophobicContact CD1-CD1 3.82Å; L202-I206 HydrophobicContact CD1-CG1 4.19Å; L202-I206 HydrophobicContact CG-CD1 3.88Å; L202-I206 WeakPolarHBondContact O-CB 3.35Å; L202-I206 WeakPolarHBondContact O-CD1 3.38Å; L202-I206 WeakPolarHBondContact O-CG1 3.3Å; L202-I206 PolarHBondContact O-N 3.36Å
203I94.4Very high91.8Very high0 Ų061.8 Ų61.80%032%0.321CS..Hα-helixtrans-66.3-45.4175.8-71.8168.3000110.7L153 L157 I184 A188 V193 D199 V200 E201 D205 I206 L207L153-I203 HydrophobicContact CD1-CG1 4.32Å; L153-I203 HydrophobicContact CD2-CG1 4.16Å; L157-I203 HydrophobicContact CD1-CG2 4.29Å; L157-I203 HydrophobicContact CD2-CG2 4.33Å; I184-I203 HydrophobicContact CG2-CG2 3.91Å; A188-I203 HydrophobicContact CB-CD1 3.71Å; V193-I203 HydrophobicContact CG1-CD1 3.73Å; V193-I203 HydrophobicContact CG1-CG1 4.39Å; D199-I203 VanDerWaalsContact O-CD1 3.28Å; D199-I203 WeakPolarHBondContact O-CD1 3.31Å; D199-I203 VanDerWaalsContact O-CG1 3.23Å; D199-I203 WeakPolarHBondContact O-CG1 3.35Å; V200-I203 PolarHBondContact O-N 2.99Å; E201-I203 VanDerWaalsContact C-N 3.26Å; E201-I203 PolarHBondContact O-N 2.84Å; I203-D205 PolarHBondContact O-N 2.97Å; I203-I206 PolarHBondContact O-N 3.34Å; I203-L207 HydrophobicContact CG2-CD1 3.81Å; I203-L207 HydrophobicContact CG2-CG 4.28Å; I203-L207 WeakPolarHBondContact O-CB 3.26Å; I203-L207 WeakPolarHBondContact O-CG 3.25Å; I203-L207 PolarHBondContact O-N 2.78Å
204V95.2Very high91.6Very high13 Ų1365.7 Ų65.78%0.07934%0.34CS..Hα-helixtrans-60.1-44.8177.71670000111.3I184 V200 E201 L207 R208 V215 G219I184-V204 HydrophobicContact CD1-CG2 4.01Å; I184-V204 HydrophobicContact CG2-CG2 4.16Å; V200-V204 HydrophobicContact CG1-CG2 4.3Å; V200-V204 VanDerWaalsContact O-CG2 3.3Å; V200-V204 WeakPolarHBondContact O-CG2 3.39Å; V200-V204 PolarHBondContact O-N 2.83Å; E201-V204 PolarHBondContact O-N 3.24Å; E201-V204 VanDerWaalsContact O-N 3.11Å; V204-L207 PolarHBondContact O-N 3.23Å; V204-R208 WeakPolarHBondContact O-CG 3.36Å; V204-R208 PolarHBondContact O-N 2.93Å; V204-V215 HydrophobicContact CG1-CG1 4.44Å; V204-G219 VanDerWaalsContact CG2-O 3.31Å; V204-G219 WeakPolarHBondContact CG2-O 3.29Å
205D94.4Very high91.5Very high85 Ų8562 Ų6246%0.45533%0.325SS..Hα-helixtrans-73.5-34.1-178.7-82.9-2.1000113E201 I203 R208 S209E201-D205 PolarHBondContact O-N 2.65Å; I203-D205 PolarHBondContact O-N 2.97Å; D205-R208 PolarHBondContact O-N 3.09Å; D205-R208 IonicContact OD1-CZ 3.97Å; D205-R208 IonicContact OD1-NH1 2.98Å; D205-R208 PolarHBondContact OD1-NH1 3.42Å; D205-S209 PolarHBondContact O-N 2.87Å; D205-S209 VanDerWaalsContact O-N 3.12Å
206I94.3Very high91.4Very high3 Ų356.9 Ų56.92%0.01531%0.305CS..Hα-helixtrans-63.2-46.9168-68.6165.9000110R150 L153 K154 L157 L202 I203 R208 S209 L210R150-I206 HydrophobicContact CG-CD1 3.86Å; R150-I206 HydrophobicContact CG-CG1 4.12Å; L153-I206 HydrophobicContact CB-CD1 4.14Å; L153-I206 HydrophobicContact CD2-CD1 3.46Å; L153-I206 VanDerWaalsContact CD2-CD1 3.46Å; L153-I206 HydrophobicContact CG-CD1 3.69Å; K154-I206 HydrophobicContact CB-CG2 3.83Å; K154-I206 HydrophobicContact CG-CG2 4.08Å; L157-I206 HydrophobicContact CD1-CB 4.27Å; L157-I206 HydrophobicContact CD1-CG2 3.79Å; L202-I206 HydrophobicContact CD1-CD1 3.82Å; L202-I206 HydrophobicContact CD1-CG1 4.19Å; L202-I206 HydrophobicContact CG-CD1 3.88Å; L202-I206 WeakPolarHBondContact O-CB 3.35Å; L202-I206 WeakPolarHBondContact O-CD1 3.38Å; L202-I206 WeakPolarHBondContact O-CG1 3.3Å; L202-I206 PolarHBondContact O-N 3.36Å; I203-I206 PolarHBondContact O-N 3.34Å; I206-R208 VanDerWaalsContact C-N 3.29Å; I206-R208 PolarHBondContact O-N 3.23Å; I206-S209 WeakPolarHBondContact O-CA 3.32Å; I206-S209 WeakPolarHBondContact O-CB 3.43Å; I206-S209 PolarHBondContact O-N 2.84Å; I206-S209 PolarHBondContact O-OG 2.95Å; I206-L210 WeakPolarHBondContact O-CG 3.49Å; I206-L210 PolarHBondContact O-N 3.45Å
207L93.3Very high91.3Very high1 Ų163 Ų631%0.00533%0.332CS..Hα-helixtrans-60.8-35.5177.5-71.9173.6000112.5L157 L161 I184 I203 V204 S209 L210 V213 V215 V222L157-L207 HydrophobicContact CB-CD2 4Å; L157-L207 HydrophobicContact CD1-CD2 4.16Å; L157-L207 HydrophobicContact CD1-CG 4.22Å; L157-L207 HydrophobicContact CD2-CD2 4.16Å; L157-L207 HydrophobicContact CG-CD2 4.33Å; L161-L207 HydrophobicContact CD1-CD2 3.51Å; I184-L207 HydrophobicContact CD1-CD1 3.76Å; I184-L207 HydrophobicContact CG1-CD1 3.84Å; I184-L207 HydrophobicContact CG2-CD1 4.14Å; I203-L207 HydrophobicContact CG2-CD1 3.81Å; I203-L207 HydrophobicContact CG2-CG 4.28Å; I203-L207 WeakPolarHBondContact O-CB 3.26Å; I203-L207 WeakPolarHBondContact O-CG 3.25Å; I203-L207 PolarHBondContact O-N 2.78Å; V204-L207 PolarHBondContact O-N 3.23Å; L207-S209 VanDerWaalsContact C-N 3.29Å; L207-S209 PolarHBondContact O-N 2.98Å; L207-L210 HydrophobicContact CD2-CD1 4.01Å; L207-L210 PolarHBondContact O-N 3.28Å; L207-V213 HydrophobicContact CD2-CG2 4.27Å; L207-V213 WeakPolarHBondContact O-CG2 3.34Å; L207-V215 HydrophobicContact CB-CG2 3.49Å; L207-V215 VanDerWaalsContact CB-CG2 3.49Å; L207-V222 HydrophobicContact CD1-CB 4.3Å; L207-V222 HydrophobicContact CD1-CG1 4.24Å; L207-V222 HydrophobicContact CD1-CG2 4.4Å; L207-V222 HydrophobicContact CD2-CG2 4.4Å
208R92.3Very high91.2Very high138 Ų13869.1 Ų69.152%0.52136%0.356SS..Hα-helixtrans-66.6-27.8172.2-75.8168.2170.7162.7-4.4113V204 D205 I206 L210 V215V204-R208 WeakPolarHBondContact O-CG 3.36Å; V204-R208 PolarHBondContact O-N 2.93Å; D205-R208 PolarHBondContact O-N 3.09Å; D205-R208 IonicContact OD1-CZ 3.97Å; D205-R208 IonicContact OD1-NH1 2.98Å; D205-R208 PolarHBondContact OD1-NH1 3.42Å; I206-R208 VanDerWaalsContact C-N 3.29Å; I206-R208 PolarHBondContact O-N 3.23Å; R208-L210 VanDerWaalsContact C-N 3.34Å; R208-V215 HydrophobicContact CG-CB 4.05Å; R208-V215 HydrophobicContact CG-CG1 4.27Å; R208-V215 HydrophobicContact CG-CG2 4.06Å
209S91.6Very high91Very high68 Ų6864.3 Ų64.348%0.47633%0.329SS..Hα-helixtrans-80.6-9.5175.2810000114.4D205 I206 L207D205-S209 PolarHBondContact O-N 2.87Å; D205-S209 VanDerWaalsContact O-N 3.12Å; I206-S209 WeakPolarHBondContact O-CA 3.32Å; I206-S209 WeakPolarHBondContact O-CB 3.43Å; I206-S209 PolarHBondContact O-N 2.84Å; I206-S209 PolarHBondContact O-OG 2.95Å; L207-S209 VanDerWaalsContact C-N 3.29Å; L207-S209 PolarHBondContact O-N 2.98Å
210L88.8Confident91Very high5 Ų565.6 Ų65.63%0.02633%0.332CS..  trans-86.3118.9-177.8-67.5-166.9000111.8K154 L157 E158 I206 L207 R208 L212 V213K154-L210 HydrophobicContact CD-CD2 4.18Å; K154-L210 HydrophobicContact CG-CD2 3.52Å; L157-L210 HydrophobicContact CB-CD1 4.16Å; E158-L210 HydrophobicContact CG-CD1 3.78Å; E158-L210 HydrophobicContact CG-CD2 3.48Å; E158-L210 VanDerWaalsContact CG-CD2 3.48Å; E158-L210 HydrophobicContact CG-CG 4.24Å; E158-L210 VanDerWaalsContact OE1-CD2 3.31Å; E158-L210 WeakPolarHBondContact OE1-CD2 3.11Å; I206-L210 WeakPolarHBondContact O-CG 3.49Å; I206-L210 PolarHBondContact O-N 3.45Å; L207-L210 HydrophobicContact CD2-CD1 4.01Å; L207-L210 PolarHBondContact O-N 3.28Å; R208-L210 VanDerWaalsContact C-N 3.34Å; L210-L212 PolarHBondContact O-N 2.96Å; L210-L212 VanDerWaalsContact O-N 3.17Å; L210-V213 HydrophobicContact CB-CG2 3.55Å; L210-V213 HydrophobicContact CD1-CG2 3.99Å; L210-V213 HydrophobicContact CG-CG2 4.3Å; L210-V213 PolarHBondContact O-N 3.08Å
211P81.9Confident91.1Very high95 Ų9565.6 Ų65.662%0.61733%0.327SS*.THydrogen-bonded Turntrans-67.7-18.5177.628.5-35.2000113.3N225P211-N225 PolarHBondContact O-ND2 3.46Å
212L78.3Confident91.1Very high100 Ų10058.4 Ų58.452%0.52429%0.294SS..THydrogen-bonded Turntrans-80.6-12.2-176.5-62.8178.7000114.4L210 N225L210-L212 PolarHBondContact O-N 2.96Å; L210-L212 VanDerWaalsContact O-N 3.17Å; L212-N225 VanDerWaalsContact C-CB 3.49Å; L212-N225 WeakPolarHBondContact O-CB 3.42Å; L212-N225 PolarHBondContact O-N 3.29Å
213V88.4Confident90.9Very high11 Ų1157.8 Ų57.87%0.06729%0.287CS..EExtended strand (participates in β ladder)trans-132.2161.4-177.8-66.60000111.7L161 L207 L210 V222 R223L161-V213 HydrophobicContact CB-CG1 3.72Å; L161-V213 HydrophobicContact CD1-CG1 3.88Å; L161-V213 HydrophobicContact CG-CG1 4.43Å; L207-V213 HydrophobicContact CD2-CG2 4.27Å; L207-V213 WeakPolarHBondContact O-CG2 3.34Å; L210-V213 HydrophobicContact CB-CG2 3.55Å; L210-V213 HydrophobicContact CD1-CG2 3.99Å; L210-V213 HydrophobicContact CG-CG2 4.3Å; L210-V213 PolarHBondContact O-N 3.08Å; V213-V222 HydrophobicContact CB-CG2 3.71Å; V213-V222 HydrophobicContact CG1-CG2 4.19Å; V213-V222 HydrophobicContact CG2-CG2 4.01Å; V213-R223 CarbonylContact C-O 2.89Å; V213-R223 VanDerWaalsContact CA-O 3.3Å; V213-R223 WeakPolarHBondContact CA-O 3.17Å; V213-R223 WeakPolarHBondContact CB-O 3.42Å
214Q89.3Confident90.5Very high82 Ų8258 Ų5838%0.38329%0.289SS..EExtended strand (participates in β ladder)trans-121.1115.3170.5-175.6-179.823.500108.3R223Q214-R223 HydrophobicContact CB-CG 4.07Å; Q214-R223 PolarHBondContact N-O 3.34Å; Q214-R223 PolarHBondContact O-N 2.99Å
215V92.4Very high89.8Confident21 Ų2159.4 Ų59.413%0.12730%0.295CS..EExtended strand (participates in β ladder)trans-77.4144.6168.9-179.30000109I184 V204 L207 R208 V222I184-V215 HydrophobicContact CD1-CG1 3.96Å; V204-V215 HydrophobicContact CG1-CG1 4.44Å; L207-V215 HydrophobicContact CB-CG2 3.49Å; L207-V215 VanDerWaalsContact CB-CG2 3.49Å; R208-V215 HydrophobicContact CG-CB 4.05Å; R208-V215 HydrophobicContact CG-CG1 4.27Å; R208-V215 HydrophobicContact CG-CG2 4.06Å; V215-V222 HydrophobicContact CG2-CG2 4.15Å
216D92.6Very high88.9Confident38 Ų3859.6 Ų59.620%0.20329%0.294CS..  trans-65.4156.9172.9177.352000112.1Y181 K218 G219 K221Y181-D216 HydrophobicContact CE1-CB 4.08Å; D216-K218 PolarHBondContact O-N 3.18Å; D216-K218 VanDerWaalsContact O-N 3.09Å; D216-K218 PolarHBondContact OD2-N 2.92Å; D216-G219 PolarHBondContact O-N 2.84Å; D216-K221 HydrophobicContact CB-CB 3.79Å; D216-K221 WeakPolarHBondContact CB-O 3.31Å; D216-K221 PolarHBondContact N-O 2.8Å
217E90.4Very high87.9Confident186 Ų18662.3 Ų62.387%0.86931%0.308SS*.THydrogen-bonded Turntrans-53.5-36-178.2-64.9-177.4175.500112.1
218K89.9Confident87.3Confident142 Ų14268.5 Ų68.562%0.61733%0.332SS*.THydrogen-bonded Turntrans-81.8-15.4178.9-58.8-174.1178.3-177.80115.7D216 E220D216-K218 PolarHBondContact O-N 3.18Å; D216-K218 VanDerWaalsContact O-N 3.09Å; D216-K218 PolarHBondContact OD2-N 2.92Å; K218-E220 VanDerWaalsContact C-N 3.32Å; K218-E220 HydrophobicContact CB-CB 4.5Å; K218-E220 HydrophobicContact CB-CG 3.95Å; K218-E220 HydrophobicContact CD-CG 4.16Å; K218-E220 WeakPolarHBondContact CD-OE1 3.16Å; K218-E220 IonicContact NZ-OE1 2.68Å; K218-E220 PolarHBondContact NZ-OE1 3.08Å; K218-E220 IonicContact NZ-OE2 2.73Å; K218-E220 PolarHBondContact NZ-OE2 3.02Å
219G90.8Very high87.1Confident10 Ų1062.6 Ų62.610%0.10331%0.311CS..SBendtrans75.311.3-169.200000115.6I184 V204 D216I184-G219 WeakPolarHBondContact CD1-O 3.3Å; V204-G219 VanDerWaalsContact CG2-O 3.31Å; V204-G219 WeakPolarHBondContact CG2-O 3.29Å; D216-G219 PolarHBondContact O-N 2.84Å
220E94.4Very high87Confident104 Ų10460.3 Ų60.349%0.48629%0.293SS..SBendtrans-81.4-24.1178.7-67.2173.5-170.700113.1I184 K218I184-E220 PolarHBondContact N-O 3.25Å; K218-E220 VanDerWaalsContact C-N 3.32Å; K218-E220 HydrophobicContact CB-CB 4.5Å; K218-E220 HydrophobicContact CB-CG 3.95Å; K218-E220 HydrophobicContact CD-CG 4.16Å; K218-E220 WeakPolarHBondContact CD-OE1 3.16Å; K218-E220 IonicContact NZ-OE1 2.68Å; K218-E220 PolarHBondContact NZ-OE1 3.08Å; K218-E220 IonicContact NZ-OE2 2.73Å; K218-E220 PolarHBondContact NZ-OE2 3.02Å
221K93.6Very high87.1Confident63 Ų6360 Ų6027%0.27429%0.292SS..EExtended strand (participates in β ladder)trans-140.8150.6-163.7-78.3168.3173.4-76.80111.2D177 Y181 V182 D216D177-K221 IonicContact OD2-NZ 2.64Å; D177-K221 PolarHBondContact OD2-NZ 3.44Å; Y181-K221 HydrophobicContact CD1-CB 3.82Å; Y181-K221 HydrophobicContact CG-CB 4.23Å; V182-K221 WeakPolarHBondContact O-CA 3.32Å; D216-K221 HydrophobicContact CB-CB 3.79Å; D216-K221 WeakPolarHBondContact CB-O 3.31Å; D216-K221 PolarHBondContact N-O 2.8Å
222V92.8Very high87.6Confident0 Ų055.6 Ų55.60%026%0.263CS..EExtended strand (participates in β ladder)trans-137.5139175.263.80000111.1L161 Y181 V182 I184 V187 L207 V213 V215L161-V222 HydrophobicContact CD1-CG1 3.84Å; L161-V222 HydrophobicContact CD1-CG2 3.97Å; L161-V222 HydrophobicContact CD2-CG1 4.42Å; Y181-V222 WeakPolarHBondContact CA-O 3.42Å; V182-V222 PolarHBondContact N-O 2.81Å; V182-V222 PolarHBondContact O-N 3.49Å; I184-V222 HydrophobicContact CD1-CB 4.02Å; I184-V222 HydrophobicContact CD1-CG1 4.45Å; I184-V222 HydrophobicContact CG1-CB 3.81Å; I184-V222 HydrophobicContact CG1-CG1 3.71Å; V187-V222 HydrophobicContact CG2-CG1 4.05Å; L207-V222 HydrophobicContact CD1-CB 4.3Å; L207-V222 HydrophobicContact CD1-CG1 4.24Å; L207-V222 HydrophobicContact CD1-CG2 4.4Å; L207-V222 HydrophobicContact CD2-CG2 4.4Å; V213-V222 HydrophobicContact CB-CG2 3.71Å; V213-V222 HydrophobicContact CG1-CG2 4.19Å; V213-V222 HydrophobicContact CG2-CG2 4.01Å; V215-V222 HydrophobicContact CG2-CG2 4.15Å
223R89.3Confident88.3Confident49 Ų4950.8 Ų50.819%0.18524%0.238CC..EExtended strand (participates in β ladder)trans-124.3156.7169.665.6175.8174.2-154-7.1111.3D179 Q180 Y181 V213 Q214D179-R223 PolarHBondContact O-NH1 2.94Å; Q180-R223 WeakPolarHBondContact O-CB 3.46Å; Y181-R223 HydrophobicContact CD1-CB 3.79Å; Y181-R223 HydrophobicContact CD1-CG 3.88Å; Y181-R223 HydrophobicContact CD2-CB 4.49Å; Y181-R223 HydrophobicContact CE1-CB 4.15Å; Y181-R223 HydrophobicContact CE1-CG 3.69Å; Y181-R223 HydrophobicContact CE2-CG 4.37Å; Y181-R223 HydrophobicContact CG-CB 3.99Å; Y181-R223 HydrophobicContact CG-CG 4.32Å; Y181-R223 VanDerWaalsContact OH-CZ 3.22Å; Y181-R223 PolarHBondContact OH-NE 2.97Å; Y181-R223 PolarHBondContact OH-NH2 3.07Å; V213-R223 CarbonylContact C-O 2.89Å; V213-R223 VanDerWaalsContact CA-O 3.3Å; V213-R223 WeakPolarHBondContact CA-O 3.17Å; V213-R223 WeakPolarHBondContact CB-O 3.42Å; Q214-R223 HydrophobicContact CB-CG 4.07Å; Q214-R223 PolarHBondContact N-O 3.34Å; Q214-R223 PolarHBondContact O-N 2.99Å
224P86.8Confident88.4Confident5 Ų555.6 Ų55.63%0.03226%0.255CS..EExtended strand (participates in β ladder)trans-56.1142.4164-25.235.8000112L166 Q226 I306L166-P224 HydrophobicContact CD2-CG 3.25Å; P224-Q226 PolarHBondContact O-N 2.94Å; P224-I306 HydrophobicContact CB-CD1 3.44Å; P224-I306 VanDerWaalsContact CB-CD1 3.44Å; P224-I306 HydrophobicContact CG-CD1 4.48Å
225N80.3Confident88.2Confident41 Ų4156.7 Ų56.722%0.21926%0.26CS..  trans-74125-177.6-169.4-8.9000111P211 L212 N227P211-N225 PolarHBondContact O-ND2 3.46Å; L212-N225 VanDerWaalsContact C-CB 3.49Å; L212-N225 WeakPolarHBondContact O-CB 3.42Å; L212-N225 PolarHBondContact O-N 3.29Å; N225-N227 VanDerWaalsContact C-N 3.32Å; N225-N227 PolarHBondContact ND2-ND2 2.86Å; N225-N227 PolarHBondContact ND2-OD1 2.89Å; N225-N227 VanDerWaalsContact OD1-CG 3.28Å; N225-N227 PolarHBondContact OD1-N 3.37Å; N225-N227 PolarHBondContact OD1-OD1 2.91Å
226Q74.4Confident88Confident89 Ų8955.8 Ų55.842%0.41626%0.255SS..  trans-90.713.3179.7-60.7-172.62.100113.8P224 R228 A303 I306P224-Q226 PolarHBondContact O-N 2.94Å; Q226-R228 PolarHBondContact O-N 2.86Å; Q226-A303 WeakPolarHBondContact O-CB 3.08Å; Q226-I306 HydrophobicContact CG-CD1 4.42Å
227N75.3Confident87.6Confident60 Ų6055.5 Ų55.532%0.32126%0.255SS..  trans-33.8132.2177.3-94.88.1000113.9N225 C229 E275N225-N227 VanDerWaalsContact C-N 3.32Å; N225-N227 PolarHBondContact ND2-ND2 2.86Å; N225-N227 PolarHBondContact ND2-OD1 2.89Å; N225-N227 VanDerWaalsContact OD1-CG 3.28Å; N225-N227 PolarHBondContact OD1-N 3.37Å; N225-N227 PolarHBondContact OD1-OD1 2.91Å; N227-C229 VanDerWaalsContact C-N 3.28Å; N227-C229 PolarHBondContact O-N 3.09Å; N227-C229 VanDerWaalsContact O-N 3.09Å; N227-E275 WeakPolarHBondContact CA-OE2 3.45Å; N227-E275 HydrophobicContact CB-CB 4.41Å
228R80.4Confident87.3Confident132 Ų13253 Ų5350%0.49824%0.243SC..  trans-8844.8-172.8-50.9-169.2-174.891.3-3115Q226 I230 E275 A278 I301 K302 A303Q226-R228 PolarHBondContact O-N 2.86Å; R228-I230 PolarHBondContact O-N 2.91Å; R228-E275 VanDerWaalsContact CB-CD 3.48Å; R228-E275 HydrophobicContact CB-CG 4.06Å; R228-E275 WeakPolarHBondContact CG-OE1 3.23Å; R228-E275 WeakPolarHBondContact CG-OE2 3.3Å; R228-E275 IonicContact CZ-OE1 3.98Å; R228-E275 PolarHBondContact N-OE2 3.07Å; R228-E275 IonicContact NH1-OE1 3.93Å; R228-E275 PolarHBondContact NH1-OE1 2.81Å; R228-A278 WeakPolarHBondContact O-CB 3.46Å; R228-I301 HydrophobicContact CB-CG2 3.47Å; R228-I301 VanDerWaalsContact CB-CG2 3.47Å; R228-I301 HydrophobicContact CG-CG2 4.41Å; R228-I301 WeakPolarHBondContact O-CG2 3.04Å; R228-K302 CarbonylContact C-O 3.58Å; R228-A303 HydrophobicContact CG-CB 4.46Å
229C86.7Confident87Confident14 Ų1451.3 Ų51.310%0.09525%0.249CC..  trans-68.63.6-175-46.80000115.7N227 T271 F272 E273 E275N227-C229 VanDerWaalsContact C-N 3.28Å; N227-C229 PolarHBondContact O-N 3.09Å; N227-C229 VanDerWaalsContact O-N 3.09Å; C229-T271 CarbonylContact O-C 3.41Å; C229-T271 WeakPolarHBondContact O-CA 3.18Å; C229-F272 WeakPolarHBondContact CB-O 3.28Å; C229-F272 PolarHBondContact O-N 2.77Å; C229-E273 PolarHBondContact SG-O 3.17Å; C229-E273 VanDerWaalsContact SG-O 3.32Å; C229-E275 PolarHBondContact SG-N 2.94Å
230I89.9Confident86.7Confident19 Ų1951 Ų5110%0.09725%0.245CC..EExtended strand (participates in β ladder)trans-107.3112.5-179.9-51.6-177.7000111R228 I232 F269 I270 T271 I301 K302 K304R228-I230 PolarHBondContact O-N 2.91Å; I230-I232 HydrophobicContact CG2-CG1 3.96Å; I230-F269 HydrophobicContact CG2-CB 4.16Å; I230-I270 CarbonylContact C-O 3.55Å; I230-I270 WeakPolarHBondContact CA-O 3.42Å; I230-T271 HydrophobicContact CG1-CG2 4.19Å; I230-I301 CarbonylContact O-C 3.51Å; I230-K302 WeakPolarHBondContact CB-O 3.46Å; I230-K302 PolarHBondContact N-O 3.18Å; I230-K302 PolarHBondContact O-N 2.89Å; I230-K304 HydrophobicContact CD1-CB 3.9Å; I230-K304 HydrophobicContact CD1-CG 4.14Å; I230-K304 HydrophobicContact CG1-CB 4.32Å
231V91.3Very high86.4Confident0 Ų049 Ų490%024%0.241CC..EExtended strand (participates in β ladder)trans-85131.1163.7-179.20000108.6I270 F272 A278 L285 A299V231-I270 PolarHBondContact N-O 2.97Å; V231-I270 PolarHBondContact O-N 3.2Å; V231-F272 HydrophobicContact CB-CE2 3.99Å; V231-F272 HydrophobicContact CG2-CD2 4Å; V231-F272 HydrophobicContact CG2-CE2 3.58Å; V231-A278 HydrophobicContact CG2-CB 4.03Å; V231-A278 VanDerWaalsContact CG2-O 3.26Å; V231-A278 WeakPolarHBondContact CG2-O 3.28Å; V231-L285 HydrophobicContact CG1-CD1 3.64Å; V231-A299 HydrophobicContact CG1-CB 4.45Å
232I92.7Very high86.1Confident1 Ų149.7 Ų49.71%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-114.4109.4176.4-56.6177.3000108.9I230 N267 W268 F269 A299 R300 K302I230-I232 HydrophobicContact CG2-CG1 3.96Å; I232-N267 HydrophobicContact CG2-CB 4.01Å; I232-W268 CarbonylContact C-O 3.54Å; I232-W268 VanDerWaalsContact CA-O 3.23Å; I232-W268 WeakPolarHBondContact CA-O 3.35Å; I232-F269 HydrophobicContact CB-CD1 4.12Å; I232-F269 HydrophobicContact CB-CE1 4.35Å; I232-F269 HydrophobicContact CD1-CD1 3.88Å; I232-F269 HydrophobicContact CD1-CE1 3.64Å; I232-F269 HydrophobicContact CD1-CZ 4.31Å; I232-F269 HydrophobicContact CG1-CD1 3.57Å; I232-F269 HydrophobicContact CG1-CE1 3.84Å; I232-F269 HydrophobicContact CG1-CG 4.4Å; I232-F269 HydrophobicContact CG2-CD1 3.73Å; I232-F269 HydrophobicContact CG2-CE1 3.67Å; I232-A299 CarbonylContact O-C 3.51Å; I232-A299 VanDerWaalsContact O-CA 3.31Å; I232-A299 WeakPolarHBondContact O-CA 3.37Å; I232-R300 HydrophobicContact CB-CG 3.69Å; I232-R300 HydrophobicContact CG1-CG 4.49Å; I232-R300 HydrophobicContact CG2-CG 4.23Å; I232-R300 PolarHBondContact N-O 2.98Å; I232-R300 PolarHBondContact O-N 3.47Å; I232-K302 HydrophobicContact CD1-CB 3.65Å; I232-K302 HydrophobicContact CD1-CD 3.58Å; I232-K302 HydrophobicContact CD1-CG 4.17Å; I232-K302 HydrophobicContact CG1-CB 4.3Å
233L91.6Very high85.8Confident0 Ų056.3 Ų56.30%028%0.278CS..EExtended strand (participates in β ladder)trans-71150.2163.2-54.8178.7000109.1V236 V245 L248 F249 N267 W268 I270 L285 I297 A299L233-V236 HydrophobicContact CB-CG2 4.2Å; L233-V236 HydrophobicContact CD1-CG2 4.46Å; L233-V245 HydrophobicContact CD1-CG1 3.86Å; L233-L248 HydrophobicContact CD1-CD1 3.82Å; L233-F249 HydrophobicContact CD1-CE2 4.41Å; L233-F249 HydrophobicContact CD1-CZ 4.45Å; L233-N267 WeakPolarHBondContact O-CA 3.35Å; L233-W268 HydrophobicContact CB-CB 4.23Å; L233-W268 HydrophobicContact CD1-CB 4.41Å; L233-W268 PolarHBondContact N-O 2.97Å; L233-W268 PolarHBondContact O-N 3.32Å; L233-W268 VanDerWaalsContact O-N 3.11Å; L233-I270 HydrophobicContact CD1-CD1 3.82Å; L233-I270 HydrophobicContact CG-CD1 3.68Å; L233-L285 HydrophobicContact CD2-CD1 3.59Å; L233-L285 HydrophobicContact CD2-CD2 3.84Å; L233-L285 HydrophobicContact CD2-CG 4.33Å; L233-I297 HydrophobicContact CD1-CD1 4.26Å; L233-I297 HydrophobicContact CD2-CD1 3.86Å; L233-I297 HydrophobicContact CD2-CG1 4.3Å; L233-A299 HydrophobicContact CD2-CB 4.12Å
234R91.4Very high85.8Confident111 Ų11157.7 Ų57.742%0.41929%0.287SS..EExtended strand (participates in β ladder)trans-130.8154.1171.2-58.7-179.3172.8-154.31.3109.4V236 D266 K298R234-V236 PolarHBondContact O-N 2.74Å; R234-D266 CarbonylContact C-O 3.57Å; R234-D266 WeakPolarHBondContact CA-O 3.39Å; R234-K298 HydrophobicContact CB-CB 4.05Å; R234-K298 VanDerWaalsContact CB-O 3.32Å; R234-K298 WeakPolarHBondContact CB-O 3.41Å; R234-K298 WeakPolarHBondContact CG-O 3.26Å; R234-K298 PolarHBondContact N-O 2.88Å; R234-K298 VanDerWaalsContact N-O 3.08Å
235E86.1Confident85.8Confident106 Ų10657.4 Ų57.450%0.49529%0.285SS..SBendtrans65.426.2178-56.2173.4-163.700112.6D266 K298E235-D266 PolarHBondContact N-O 2.94Å; E235-K298 VanDerWaalsContact OE1-CD 3.27Å; E235-K298 WeakPolarHBondContact OE1-CD 3.34Å; E235-K298 IonicContact OE1-NZ 3.67Å; E235-K298 PolarHBondContact OE1-NZ 3.24Å; E235-K298 WeakPolarHBondContact OE2-CE 3.4Å; E235-K298 IonicContact OE2-NZ 3.18Å; E235-K298 PolarHBondContact OE2-NZ 2.85Å
236V86.8Confident86Confident2 Ų258 Ų581%0.01229%0.286CS..  trans-110.1109.9169.7-178.60000106.8L233 R234 T240 V245 D266 W268 F292 I297L233-V236 HydrophobicContact CB-CG2 4.2Å; L233-V236 HydrophobicContact CD1-CG2 4.46Å; R234-V236 PolarHBondContact O-N 2.74Å; V236-T240 HydrophobicContact CG1-CG2 4.19Å; V236-V245 HydrophobicContact CG1-CG2 4.16Å; V236-D266 PolarHBondContact N-O 3.38Å; V236-D266 CarbonylContact O-C 3.57Å; V236-W268 PolarHBondContact O-NE1 3.47Å; V236-W268 VanDerWaalsContact O-NE1 3.14Å; V236-F292 HydrophobicContact CG1-CD1 4.26Å; V236-F292 HydrophobicContact CG1-CE1 3.84Å; V236-F292 HydrophobicContact CG2-CD1 4.13Å; V236-I297 HydrophobicContact CG2-CD1 4.26Å; V236-I297 HydrophobicContact CG2-CG1 4.29Å
237P83.7Confident86.6Confident32 Ų3256.4 Ų56.421%0.20829%0.288CS..  trans-75.3160.4-170.931.1-36000112.9S239 T240P237-S239 PolarHBondContact O-N 3.25Å; P237-T240 VanDerWaalsContact O-CB 3.28Å; P237-T240 WeakPolarHBondContact O-CB 3.23Å; P237-T240 PolarHBondContact O-N 2.66Å; P237-T240 VanDerWaalsContact O-N 3.08Å; P237-T240 PolarHBondContact O-OG1 2.87Å
238E84.6Confident87Confident132 Ų13254.3 Ų54.362%0.61728%0.277SS*.THydrogen-bonded Turntrans-61.1-25.8177.5-163.9170.5176.300113.4T240 F262E238-T240 PolarHBondContact O-N 2.8Å; E238-F262 HydrophobicContact CB-CD1 3.95Å; E238-F262 HydrophobicContact CB-CD2 4.38Å; E238-F262 HydrophobicContact CB-CE1 3.56Å; E238-F262 HydrophobicContact CB-CE2 4.02Å; E238-F262 HydrophobicContact CB-CG 4.34Å; E238-F262 HydrophobicContact CB-CZ 3.6Å; E238-F262 VanDerWaalsContact CD-CE1 3.48Å; E238-F262 HydrophobicContact CG-CD1 3.53Å; E238-F262 HydrophobicContact CG-CE1 3.61Å; E238-F262 HydrophobicContact CG-CG 4.03Å; E238-F262 HydrophobicContact CG-CZ 4.16Å; E238-F262 VanDerWaalsContact OE2-CE1 3.27Å; E238-F262 WeakPolarHBondContact OE2-CE1 3.37Å
239S83.4Confident87.2Confident107 Ų10748.6 Ų48.675%0.74826%0.256SS*.THydrogen-bonded Turntrans-70.6-9.7176.161.30000114P237P237-S239 PolarHBondContact O-N 3.25Å
240T84.9Confident86.6Confident3 Ų354.2 Ų54.22%0.01828%0.279CS..SBendtrans-73.1123.5169.9-61.50000108.4V236 P237 E238 E244 V245 W268 F292 Q293V236-T240 HydrophobicContact CG1-CG2 4.19Å; P237-T240 VanDerWaalsContact O-CB 3.28Å; P237-T240 WeakPolarHBondContact O-CB 3.23Å; P237-T240 PolarHBondContact O-N 2.66Å; P237-T240 VanDerWaalsContact O-N 3.08Å; P237-T240 PolarHBondContact O-OG1 2.87Å; E238-T240 PolarHBondContact O-N 2.8Å; T240-E244 HydrophobicContact CG2-CB 3.75Å; T240-V245 HydrophobicContact CG2-CG2 3.7Å; T240-W268 WeakPolarHBondContact O-CZ2 3.42Å; T240-F292 HydrophobicContact CG2-CE1 3.83Å; T240-F292 HydrophobicContact CG2-CZ 3.57Å; T240-Q293 PolarHBondContact OG1-NE2 3.48Å
241P87.9Confident85.7Confident63 Ų6354.2 Ų54.241%0.40928%0.284SS..  trans-62.4142.9176.927.7-34.2000109.7E243 E244 V245P241-E243 PolarHBondContact O-N 3.48Å; P241-E243 VanDerWaalsContact O-N 3.08Å; P241-E244 WeakPolarHBondContact CD-OE1 3.39Å; P241-E244 HydrophobicContact CG-CB 4.08Å; P241-E244 HydrophobicContact CG-CG 3.88Å; P241-E244 WeakPolarHBondContact CG-OE1 3.5Å; P241-E244 PolarHBondContact O-N 2.85Å; P241-V245 PolarHBondContact O-N 3.31Å
242I87Confident84.7Confident77 Ų7762.2 Ų62.240%0.39533%0.326SS..Hα-helixtrans-52.9-36179.1-171.3165.1000111.3E244 V245 E246 C260 W268I242-E244 VanDerWaalsContact C-N 3.32Å; I242-E244 PolarHBondContact O-N 3.25Å; I242-V245 CarbonylContact O-C 3.31Å; I242-V245 WeakPolarHBondContact O-CA 3.44Å; I242-V245 WeakPolarHBondContact O-CB 3.32Å; I242-V245 PolarHBondContact O-N 3.15Å; I242-E246 HydrophobicContact CG1-CG 4.23Å; I242-E246 WeakPolarHBondContact O-CG 3.33Å; I242-E246 PolarHBondContact O-N 2.69Å; I242-C260 HydrophobicContact CD1-CB 4.25Å; I242-W268 HydrophobicContact CB-CH2 4.21Å; I242-W268 HydrophobicContact CB-CZ3 4.1Å; I242-W268 HydrophobicContact CD1-CZ3 4.33Å; I242-W268 HydrophobicContact CG1-CZ3 3.94Å
243E87.9Confident83.5Confident139 Ų13968.1 Ų68.165%0.6536%0.358SS*.Hα-helixtrans-55.2-37.4176.1-62.5177.7-158.900114.5P241 A247P241-E243 PolarHBondContact O-N 3.48Å; P241-E243 VanDerWaalsContact O-N 3.08Å; E243-A247 WeakPolarHBondContact O-CB 3.18Å; E243-A247 PolarHBondContact O-N 3.31Å
244E88.1Confident83Confident78 Ų7869.3 Ų69.336%0.36436%0.364SS..Hα-helixtrans-69.9-37.8173.3-87.8-178.9-129.800111.2T240 P241 I242 A247 L248 F292 Q293T240-E244 HydrophobicContact CG2-CB 3.75Å; P241-E244 WeakPolarHBondContact CD-OE1 3.39Å; P241-E244 HydrophobicContact CG-CB 4.08Å; P241-E244 HydrophobicContact CG-CG 3.88Å; P241-E244 WeakPolarHBondContact CG-OE1 3.5Å; P241-E244 PolarHBondContact O-N 2.85Å; I242-E244 VanDerWaalsContact C-N 3.32Å; I242-E244 PolarHBondContact O-N 3.25Å; E244-A247 WeakPolarHBondContact O-CB 3.26Å; E244-A247 PolarHBondContact O-N 3.28Å; E244-L248 PolarHBondContact O-N 3.13Å; E244-F292 HydrophobicContact CB-CE2 4.32Å; E244-F292 HydrophobicContact CB-CZ 4.07Å; E244-F292 VanDerWaalsContact OE2-CZ 3.28Å; E244-F292 WeakPolarHBondContact OE2-CZ 3.49Å; E244-Q293 PolarHBondContact OE2-NE2 2.99Å
245V86.6Confident82.6Confident0 Ų065 Ų650%035%0.35CS..Hα-helixtrans-69.7-38.6176.9-173.80000110.6L233 V236 T240 P241 I242 A247 L248 F249 W268L233-V245 HydrophobicContact CD1-CG1 3.86Å; V236-V245 HydrophobicContact CG1-CG2 4.16Å; T240-V245 HydrophobicContact CG2-CG2 3.7Å; P241-V245 PolarHBondContact O-N 3.31Å; I242-V245 CarbonylContact O-C 3.31Å; I242-V245 WeakPolarHBondContact O-CA 3.44Å; I242-V245 WeakPolarHBondContact O-CB 3.32Å; I242-V245 PolarHBondContact O-N 3.15Å; V245-A247 VanDerWaalsContact C-N 3.31Å; V245-L248 WeakPolarHBondContact O-CB 3.46Å; V245-L248 PolarHBondContact O-N 3.19Å; V245-F249 WeakPolarHBondContact O-CD2 3.23Å; V245-F249 WeakPolarHBondContact O-CE2 3.37Å; V245-W268 HydrophobicContact CB-CD2 4.39Å; V245-W268 HydrophobicContact CB-CE3 4.26Å; V245-W268 HydrophobicContact CB-CZ3 4.44Å; V245-W268 HydrophobicContact CG1-CB 4.34Å; V245-W268 HydrophobicContact CG1-CD2 3.99Å; V245-W268 HydrophobicContact CG1-CE3 3.98Å; V245-W268 HydrophobicContact CG1-CG 4.17Å; V245-W268 HydrophobicContact CG2-CD2 3.86Å; V245-W268 HydrophobicContact CG2-CE3 4.09Å; V245-W268 HydrophobicContact CG2-CG 4.47Å; V245-W268 HydrophobicContact CG2-CH2 4.04Å; V245-W268 HydrophobicContact CG2-CZ2 3.82Å; V245-W268 HydrophobicContact CG2-CZ3 4.17Å
246E86Confident82.5Confident53 Ų5369 Ų6925%0.24837%0.366CS..Hα-helixtrans-64-36.8169.8-59.3-167.5147.400111.7I242 L248 F249 K250 F257I242-E246 HydrophobicContact CG1-CG 4.23Å; I242-E246 WeakPolarHBondContact O-CG 3.33Å; I242-E246 PolarHBondContact O-N 2.69Å; E246-L248 PolarHBondContact O-N 3.42Å; E246-F249 CarbonylContact O-C 3.51Å; E246-F249 WeakPolarHBondContact O-CA 3.4Å; E246-F249 PolarHBondContact O-N 3.06Å; E246-K250 HydrophobicContact CB-CD 4.41Å; E246-K250 WeakPolarHBondContact O-CG 3.34Å; E246-K250 PolarHBondContact O-N 3.36Å; E246-K250 VanDerWaalsContact O-N 3.1Å; E246-K250 VanDerWaalsContact OE2-CE 3.31Å; E246-K250 WeakPolarHBondContact OE2-CE 3.25Å; E246-K250 IonicContact OE2-NZ 4Å; E246-K250 PolarHBondContact OE2-NZ 3.2Å; E246-F257 HydrophobicContact CB-CE1 4.44Å; E246-F257 HydrophobicContact CB-CZ 4.06Å; E246-F257 HydrophobicContact CG-CE1 4.49Å; E246-F257 HydrophobicContact CG-CE2 4.45Å; E246-F257 HydrophobicContact CG-CZ 3.68Å
247A86.3Confident82.5Confident55 Ų5571.3 Ų71.346%0.45538%0.376SS..Hα-helixtrans-61.2-27.6179.500000112.9E243 E244 V245 F249 K250E243-A247 WeakPolarHBondContact O-CB 3.18Å; E243-A247 PolarHBondContact O-N 3.31Å; E244-A247 WeakPolarHBondContact O-CB 3.26Å; E244-A247 PolarHBondContact O-N 3.28Å; V245-A247 VanDerWaalsContact C-N 3.31Å; A247-F249 PolarHBondContact O-N 3.08Å; A247-K250 PolarHBondContact O-N 2.93Å
248L83.7Confident82.7Confident17 Ų1775.5 Ų75.59%0.08940%0.395CS..THydrogen-bonded Turntrans-61.5-17.5169.5-62.5179.3000114.1L233 E244 V245 E246 Y284 L285 V289 F292 I297L233-L248 HydrophobicContact CD1-CD1 3.82Å; E244-L248 PolarHBondContact O-N 3.13Å; V245-L248 WeakPolarHBondContact O-CB 3.46Å; V245-L248 PolarHBondContact O-N 3.19Å; E246-L248 PolarHBondContact O-N 3.42Å; L248-Y284 WeakPolarHBondContact O-CE1 3.17Å; L248-L285 HydrophobicContact CB-CD2 4.25Å; L248-L285 HydrophobicContact CD1-CD2 4.46Å; L248-V289 HydrophobicContact CD2-CG1 3.6Å; L248-V289 HydrophobicContact CD2-CG2 4.33Å; L248-F292 HydrophobicContact CD1-CD2 4.14Å; L248-F292 HydrophobicContact CD1-CE2 4.42Å; L248-F292 HydrophobicContact CD1-CG 4.43Å; L248-F292 HydrophobicContact CD2-CD2 3.6Å; L248-F292 HydrophobicContact CD2-CE2 4.13Å; L248-F292 HydrophobicContact CD2-CG 4.39Å; L248-F292 HydrophobicContact CG-CD2 4.17Å; L248-F292 HydrophobicContact CG-CE2 4.34Å; L248-I297 HydrophobicContact CD1-CD1 3.58Å
249F84.4Confident82.8Confident11 Ų1172.4 Ų72.45%0.04838%0.383CS..THydrogen-bonded Turntrans-116.9-0.9178.8-53.2-84.8000113L233 V245 E246 A247 G251 L254 F257 I270 F272 A281 L285L233-F249 HydrophobicContact CD1-CE2 4.41Å; L233-F249 HydrophobicContact CD1-CZ 4.45Å; V245-F249 WeakPolarHBondContact O-CD2 3.23Å; V245-F249 WeakPolarHBondContact O-CE2 3.37Å; E246-F249 CarbonylContact O-C 3.51Å; E246-F249 WeakPolarHBondContact O-CA 3.4Å; E246-F249 PolarHBondContact O-N 3.06Å; A247-F249 PolarHBondContact O-N 3.08Å; F249-G251 PolarHBondContact O-N 3.31Å; F249-L254 HydrophobicContact CD1-CD2 4.09Å; F249-L254 WeakPolarHBondContact O-CB 3.29Å; F249-F257 HydrophobicContact CB-CD1 4.12Å; F249-F257 HydrophobicContact CB-CE1 4.07Å; F249-F257 HydrophobicContact CD2-CD1 4.38Å; F249-F257 HydrophobicContact CD2-CE1 4.36Å; F249-F257 HydrophobicContact CG-CD1 4.28Å; F249-F257 HydrophobicContact CG-CE1 4.47Å; F249-I270 HydrophobicContact CE2-CB 4.48Å; F249-I270 HydrophobicContact CE2-CD1 3.99Å; F249-I270 HydrophobicContact CE2-CG1 3.75Å; F249-I270 HydrophobicContact CE2-CG2 4.32Å; F249-I270 HydrophobicContact CZ-CB 4.23Å; F249-I270 HydrophobicContact CZ-CD1 3.86Å; F249-I270 HydrophobicContact CZ-CG1 3.84Å; F249-I270 HydrophobicContact CZ-CG2 4.22Å; F249-F272 AromaticContact CD1-CZ 3.83Å; F249-F272 HydrophobicContact CD1-CZ 3.83Å; F249-F272 HydrophobicContact CE1-CE2 4.44Å; F249-F272 AromaticContact CE1-CZ 3.83Å; F249-F272 HydrophobicContact CE1-CZ 3.83Å; F249-A281 HydrophobicContact CD1-CB 4.13Å; F249-A281 HydrophobicContact CE1-CB 4.13Å; F249-L285 HydrophobicContact CE1-CD1 3.65Å; F249-L285 HydrophobicContact CE1-CD2 4.31Å; F249-L285 HydrophobicContact CE1-CG 4.11Å; F249-L285 HydrophobicContact CZ-CD1 3.82Å; F249-L285 HydrophobicContact CZ-CD2 4.25Å; F249-L285 HydrophobicContact CZ-CG 4.42Å
250K75.1Confident83Confident133 Ų13368 Ų6858%0.57835%0.352SS*.  trans-84.955.7177.2-72.7169-176.3158.60111.5E246 A247E246-K250 HydrophobicContact CB-CD 4.41Å; E246-K250 WeakPolarHBondContact O-CG 3.34Å; E246-K250 PolarHBondContact O-N 3.36Å; E246-K250 VanDerWaalsContact O-N 3.1Å; E246-K250 VanDerWaalsContact OE2-CE 3.31Å; E246-K250 WeakPolarHBondContact OE2-CE 3.25Å; E246-K250 IonicContact OE2-NZ 4Å; E246-K250 PolarHBondContact OE2-NZ 3.2Å; A247-K250 PolarHBondContact O-N 2.93Å
251G70.8Confident83.2Confident19 Ų1972.8 Ų72.820%0.19637%0.374CS..SBendtrans-121.5155.1175.400000112.6F249 N253 L254F249-G251 PolarHBondContact O-N 3.31Å; G251-N253 PolarHBondContact O-N 3.41Å; G251-L254 PolarHBondContact O-N 3.07Å; G251-L254 VanDerWaalsContact O-N 3.07Å
252N69.3Low83.3Confident167 Ų16771.7 Ų71.789%0.89336%0.363SS*.THydrogen-bonded Turntrans-63.1-18.6-163.4-58.25.9000115.6
253N67.8Low83.2Confident125 Ų12568.5 Ų68.567%0.66835%0.348SS*.THydrogen-bonded Turntrans-115.718.9-178.8-60.6-61.8000112.6G251 Q280G251-N253 PolarHBondContact O-N 3.41Å; N253-Q280 PolarHBondContact O-NE2 3.22Å
254L81.3Confident82.9Confident26 Ų2671 Ų7114%0.13635%0.353CS..PPolyproline II helixtrans-100.4135.6-179.5-78.8130.1000112.4F249 G251 A281 Y284F249-L254 HydrophobicContact CD1-CD2 4.09Å; F249-L254 WeakPolarHBondContact O-CB 3.29Å; G251-L254 PolarHBondContact O-N 3.07Å; G251-L254 VanDerWaalsContact O-N 3.07Å; L254-A281 HydrophobicContact CD2-CB 4Å; L254-Y284 HydrophobicContact CD1-CD1 3.68Å; L254-Y284 HydrophobicContact CD1-CD2 3.94Å; L254-Y284 HydrophobicContact CD1-CE1 3.57Å; L254-Y284 HydrophobicContact CD1-CE2 3.83Å; L254-Y284 HydrophobicContact CD1-CG 3.87Å; L254-Y284 HydrophobicContact CD2-CD1 3.8Å; L254-Y284 HydrophobicContact CD2-CE1 4.48Å; L254-Y284 HydrophobicContact CD2-CG 3.89Å; L254-Y284 HydrophobicContact CG-CD1 4.21Å; L254-Y284 HydrophobicContact CG-CD2 4.39Å; L254-Y284 HydrophobicContact CG-CG 4.13Å
255P82.7Confident82.8Confident20 Ų2074.2 Ų74.213%0.1337%0.373CS..PPolyproline II helixtrans-70.2154.3171.931.2-35000110.4F272 D277 A281P255-F272 HydrophobicContact CB-CD1 4.38Å; P255-F272 HydrophobicContact CG-CD1 3.95Å; P255-F272 HydrophobicContact CG-CE1 4.03Å; P255-F272 WeakPolarHBondContact O-CE1 3.36Å; P255-D277 HydrophobicContact CB-CB 3.59Å; P255-D277 HydrophobicContact CG-CB 3.51Å; P255-D277 WeakPolarHBondContact CG-O 3.31Å; P255-A281 HydrophobicContact CG-CB 4.48Å
256K84.4Confident82.9Confident190 Ų19078 Ų7883%0.82639%0.393SS*.PPolyproline II helixtrans-76.4135177.2-64.9177.1-176.8173.70109.9
257F87.7Confident83.1Confident50 Ų5076.4 Ų76.422%0.21939%0.386CS..EExtended strand (participates in β ladder)trans-81.8146.8168.155.8-93.1000110.4E246 F249 C260 I270 T271 F272E246-F257 HydrophobicContact CB-CE1 4.44Å; E246-F257 HydrophobicContact CB-CZ 4.06Å; E246-F257 HydrophobicContact CG-CE1 4.49Å; E246-F257 HydrophobicContact CG-CE2 4.45Å; E246-F257 HydrophobicContact CG-CZ 3.68Å; F249-F257 HydrophobicContact CB-CD1 4.12Å; F249-F257 HydrophobicContact CB-CE1 4.07Å; F249-F257 HydrophobicContact CD2-CD1 4.38Å; F249-F257 HydrophobicContact CD2-CE1 4.36Å; F249-F257 HydrophobicContact CG-CD1 4.28Å; F249-F257 HydrophobicContact CG-CE1 4.47Å; F257-C260 HydrophobicContact CD2-CB 3.93Å; F257-C260 HydrophobicContact CE2-CB 3.78Å; F257-I270 HydrophobicContact CB-CG2 3.32Å; F257-I270 HydrophobicContact CD1-CG2 4.04Å; F257-I270 HydrophobicContact CD2-CG2 4.37Å; F257-I270 HydrophobicContact CG-CG2 3.66Å; F257-T271 CarbonylContact C-O 3.57Å; F257-F272 HydrophobicContact CB-CD1 4.08Å; F257-F272 HydrophobicContact CB-CE1 3.86Å; F257-F272 HydrophobicContact CB-CZ 4.11Å
258I87.6Confident83.4Confident120 Ų12074.3 Ų74.362%0.61537%0.367SS*.EExtended strand (participates in β ladder)trans-83-37.1175.1-61.8177.6000110.8T271 E273I258-T271 PolarHBondContact N-O 3.29Å; I258-E273 HydrophobicContact CD1-CB 3.8Å; I258-E273 HydrophobicContact CD1-CG 4.09Å; I258-E273 HydrophobicContact CG1-CB 4.36Å
259N85.4Confident83.8Confident67 Ų6776.1 Ų76.136%0.35837%0.374SS..EExtended strand (participates in β ladder)trans-141143.4-178.6-176.231.3000110.6E261 I270 T271N259-E261 PolarHBondContact ND2-OE2 3.49Å; N259-E261 VanDerWaalsContact ND2-OE2 3.15Å; N259-I270 CarbonylContact O-C 3.26Å; N259-I270 WeakPolarHBondContact O-CA 3.45Å; N259-T271 PolarHBondContact N-O 3.42Å; N259-T271 PolarHBondContact O-N 3.29Å
260C88.7Confident84.1Confident14 Ų1475.6 Ų75.610%0.09537%0.372CS..EExtended strand (participates in β ladder)trans-133.2106.6171.5-175.30000108I242 F257I242-C260 HydrophobicContact CD1-CB 4.25Å; F257-C260 HydrophobicContact CD2-CB 3.93Å; F257-C260 HydrophobicContact CE2-CB 3.78Å
261E89.1Confident84.8Confident105 Ų10570.3 Ų70.349%0.49135%0.351SS..EExtended strand (participates in β ladder)trans-124128.5-169.2-175.5-177.9154.800110.1N259 A263 F269N259-E261 PolarHBondContact ND2-OE2 3.49Å; N259-E261 VanDerWaalsContact ND2-OE2 3.15Å; E261-A263 PolarHBondContact O-N 3.03Å; E261-F269 PolarHBondContact N-O 3.35Å; E261-F269 PolarHBondContact O-N 3.42Å
262F89.1Confident85.7Confident40 Ų4069.6 Ų69.618%0.17534%0.342CS..EExtended strand (participates in β ladder)trans-70.9127.9170.2-178.8-109.5000110.1E238 N267 W268E238-F262 HydrophobicContact CB-CD1 3.95Å; E238-F262 HydrophobicContact CB-CD2 4.38Å; E238-F262 HydrophobicContact CB-CE1 3.56Å; E238-F262 HydrophobicContact CB-CE2 4.02Å; E238-F262 HydrophobicContact CB-CG 4.34Å; E238-F262 HydrophobicContact CB-CZ 3.6Å; E238-F262 VanDerWaalsContact CD-CE1 3.48Å; E238-F262 HydrophobicContact CG-CD1 3.53Å; E238-F262 HydrophobicContact CG-CE1 3.61Å; E238-F262 HydrophobicContact CG-CG 4.03Å; E238-F262 HydrophobicContact CG-CZ 4.16Å; E238-F262 VanDerWaalsContact OE2-CE1 3.27Å; E238-F262 WeakPolarHBondContact OE2-CE1 3.37Å; F262-N267 WeakPolarHBondContact CD2-O 3.41Å; F262-N267 WeakPolarHBondContact CE2-O 3.4Å; F262-W268 HydrophobicContact CB-CD2 4.28Å; F262-W268 HydrophobicContact CB-CE3 4.22Å; F262-W268 HydrophobicContact CB-CH2 4.26Å; F262-W268 HydrophobicContact CB-CZ2 4.3Å; F262-W268 HydrophobicContact CB-CZ3 4.21Å; F262-W268 AromaticContact CD2-CD1 3.78Å; F262-W268 AromaticContact CD2-CD2 3.96Å; F262-W268 HydrophobicContact CD2-CD2 3.96Å; F262-W268 AromaticContact CD2-CE2 3.54Å; F262-W268 HydrophobicContact CD2-CG 4.13Å; F262-W268 HydrophobicContact CD2-CZ2 4.01Å; F262-W268 AromaticContact CD2-NE1 3.42Å; F262-W268 AromaticContact CE2-NE1 3.82Å; F262-W268 HydrophobicContact CG-CZ2 4.49Å
263A85.6Confident86.4Confident10 Ų1068.9 Ų68.98%0.08333%0.333CS..EExtended strand (participates in β ladder)trans-116.8127.3176.800000109.7E261 N267 F269E261-A263 PolarHBondContact O-N 3.03Å; A263-N267 CarbonylContact C-O 3.43Å; A263-N267 HydrophobicContact CB-CB 4.06Å; A263-N267 PolarHBondContact N-O 3.3Å; A263-N267 CarbonylContact O-C 3.59Å; A263-N267 WeakPolarHBondContact O-CA 3.3Å; A263-N267 WeakPolarHBondContact O-CB 3.19Å; A263-N267 PolarHBondContact O-N 2.97Å; A263-F269 HydrophobicContact CB-CD1 3.68Å; A263-F269 HydrophobicContact CB-CD2 3.71Å; A263-F269 HydrophobicContact CB-CE1 3.48Å; A263-F269 VanDerWaalsContact CB-CE1 3.48Å; A263-F269 HydrophobicContact CB-CE2 3.52Å; A263-F269 HydrophobicContact CB-CG 3.8Å; A263-F269 HydrophobicContact CB-CZ 3.4Å; A263-F269 VanDerWaalsContact CB-CZ 3.4Å
264Y81.6Confident87.2Confident190 Ų19065.1 Ų65.175%0.74532%0.317SS*.THydrogen-bonded Turntrans-42.7149.3-176.6-50.4-71.4000113.7N267Y264-N267 PolarHBondContact O-ND2 2.85Å; Y264-N267 VanDerWaalsContact O-ND2 3.16Å
265N85.6Confident87.5Confident147 Ų14765.3 Ų65.379%0.78632%0.317SS*.THydrogen-bonded Turntrans73.646.4-172.3-40.5-94.8000114N267N265-N267 VanDerWaalsContact C-N 3.29Å; N265-N267 PolarHBondContact O-N 2.96Å; N265-N267 PolarHBondContact O-ND2 3.12Å
266D87.9Confident87.8Confident80 Ų8067.1 Ų67.143%0.42833%0.334SS..THydrogen-bonded Turntrans52.540.4177.3-53.7-31.9000114.1R234 E235 V236R234-D266 CarbonylContact C-O 3.57Å; R234-D266 WeakPolarHBondContact CA-O 3.39Å; E235-D266 PolarHBondContact N-O 2.94Å; V236-D266 PolarHBondContact N-O 3.38Å; V236-D266 CarbonylContact O-C 3.57Å
267N91Very high88.1Confident18 Ų1860 Ų6010%0.09631%0.305CS..EExtended strand (participates in β ladder)trans-108.5146.7172.1-58.5-101.3000109.8I232 L233 F262 A263 Y264 N265 F269 R300I232-N267 HydrophobicContact CG2-CB 4.01Å; L233-N267 WeakPolarHBondContact O-CA 3.35Å; F262-N267 WeakPolarHBondContact CD2-O 3.41Å; F262-N267 WeakPolarHBondContact CE2-O 3.4Å; A263-N267 CarbonylContact C-O 3.43Å; A263-N267 HydrophobicContact CB-CB 4.06Å; A263-N267 PolarHBondContact N-O 3.3Å; A263-N267 CarbonylContact O-C 3.59Å; A263-N267 WeakPolarHBondContact O-CA 3.3Å; A263-N267 WeakPolarHBondContact O-CB 3.19Å; A263-N267 PolarHBondContact O-N 2.97Å; Y264-N267 PolarHBondContact O-ND2 2.85Å; Y264-N267 VanDerWaalsContact O-ND2 3.16Å; N265-N267 VanDerWaalsContact C-N 3.29Å; N265-N267 PolarHBondContact O-N 2.96Å; N265-N267 PolarHBondContact O-ND2 3.12Å; N267-F269 HydrophobicContact CB-CD1 4.32Å; N267-F269 HydrophobicContact CB-CE1 3.88Å; N267-R300 PolarHBondContact OD1-NH2 3.48Å
268W92.1Very high88.3Confident12 Ų1257.6 Ų57.65%0.04529%0.294CS..EExtended strand (participates in β ladder)trans-120132.3162.9-69.270.4000108.2I232 L233 V236 T240 I242 V245 F262 I270I232-W268 CarbonylContact C-O 3.54Å; I232-W268 VanDerWaalsContact CA-O 3.23Å; I232-W268 WeakPolarHBondContact CA-O 3.35Å; L233-W268 HydrophobicContact CB-CB 4.23Å; L233-W268 HydrophobicContact CD1-CB 4.41Å; L233-W268 PolarHBondContact N-O 2.97Å; L233-W268 PolarHBondContact O-N 3.32Å; L233-W268 VanDerWaalsContact O-N 3.11Å; V236-W268 PolarHBondContact O-NE1 3.47Å; V236-W268 VanDerWaalsContact O-NE1 3.14Å; T240-W268 WeakPolarHBondContact O-CZ2 3.42Å; I242-W268 HydrophobicContact CB-CH2 4.21Å; I242-W268 HydrophobicContact CB-CZ3 4.1Å; I242-W268 HydrophobicContact CD1-CZ3 4.33Å; I242-W268 HydrophobicContact CG1-CZ3 3.94Å; V245-W268 HydrophobicContact CB-CD2 4.39Å; V245-W268 HydrophobicContact CB-CE3 4.26Å; V245-W268 HydrophobicContact CB-CZ3 4.44Å; V245-W268 HydrophobicContact CG1-CB 4.34Å; V245-W268 HydrophobicContact CG1-CD2 3.99Å; V245-W268 HydrophobicContact CG1-CE3 3.98Å; V245-W268 HydrophobicContact CG1-CG 4.17Å; V245-W268 HydrophobicContact CG2-CD2 3.86Å; V245-W268 HydrophobicContact CG2-CE3 4.09Å; V245-W268 HydrophobicContact CG2-CG 4.47Å; V245-W268 HydrophobicContact CG2-CH2 4.04Å; V245-W268 HydrophobicContact CG2-CZ2 3.82Å; V245-W268 HydrophobicContact CG2-CZ3 4.17Å; F262-W268 HydrophobicContact CB-CD2 4.28Å; F262-W268 HydrophobicContact CB-CE3 4.22Å; F262-W268 HydrophobicContact CB-CH2 4.26Å; F262-W268 HydrophobicContact CB-CZ2 4.3Å; F262-W268 HydrophobicContact CB-CZ3 4.21Å; F262-W268 AromaticContact CD2-CD1 3.78Å; F262-W268 AromaticContact CD2-CD2 3.96Å; F262-W268 HydrophobicContact CD2-CD2 3.96Å; F262-W268 AromaticContact CD2-CE2 3.54Å; F262-W268 HydrophobicContact CD2-CG 4.13Å; F262-W268 HydrophobicContact CD2-CZ2 4.01Å; F262-W268 AromaticContact CD2-NE1 3.42Å; F262-W268 AromaticContact CE2-NE1 3.82Å; F262-W268 HydrophobicContact CG-CZ2 4.49Å; W268-I270 HydrophobicContact CB-CD1 3.96Å
269F91.8Very high88.4Confident55 Ų5556.3 Ų56.324%0.24129%0.286CS..EExtended strand (participates in β ladder)trans-102.8105.5178.1-66.5-4.1000108.6I230 I232 E261 A263 N267I230-F269 HydrophobicContact CG2-CB 4.16Å; I232-F269 HydrophobicContact CB-CD1 4.12Å; I232-F269 HydrophobicContact CB-CE1 4.35Å; I232-F269 HydrophobicContact CD1-CD1 3.88Å; I232-F269 HydrophobicContact CD1-CE1 3.64Å; I232-F269 HydrophobicContact CD1-CZ 4.31Å; I232-F269 HydrophobicContact CG1-CD1 3.57Å; I232-F269 HydrophobicContact CG1-CE1 3.84Å; I232-F269 HydrophobicContact CG1-CG 4.4Å; I232-F269 HydrophobicContact CG2-CD1 3.73Å; I232-F269 HydrophobicContact CG2-CE1 3.67Å; E261-F269 PolarHBondContact N-O 3.35Å; E261-F269 PolarHBondContact O-N 3.42Å; A263-F269 HydrophobicContact CB-CD1 3.68Å; A263-F269 HydrophobicContact CB-CD2 3.71Å; A263-F269 HydrophobicContact CB-CE1 3.48Å; A263-F269 VanDerWaalsContact CB-CE1 3.48Å; A263-F269 HydrophobicContact CB-CE2 3.52Å; A263-F269 HydrophobicContact CB-CG 3.8Å; A263-F269 HydrophobicContact CB-CZ 3.4Å; A263-F269 VanDerWaalsContact CB-CZ 3.4Å; N267-F269 HydrophobicContact CB-CD1 4.32Å; N267-F269 HydrophobicContact CB-CE1 3.88Å
270I91.3Very high88.7Confident0 Ų057.6 Ų57.60%029%0.289CS..EExtended strand (participates in β ladder)trans-102.1116.8176.9-56.291.6000107.4I230 V231 L233 F249 F257 N259 W268 F272I230-I270 CarbonylContact C-O 3.55Å; I230-I270 WeakPolarHBondContact CA-O 3.42Å; V231-I270 PolarHBondContact N-O 2.97Å; V231-I270 PolarHBondContact O-N 3.2Å; L233-I270 HydrophobicContact CD1-CD1 3.82Å; L233-I270 HydrophobicContact CG-CD1 3.68Å; F249-I270 HydrophobicContact CE2-CB 4.48Å; F249-I270 HydrophobicContact CE2-CD1 3.99Å; F249-I270 HydrophobicContact CE2-CG1 3.75Å; F249-I270 HydrophobicContact CE2-CG2 4.32Å; F249-I270 HydrophobicContact CZ-CB 4.23Å; F249-I270 HydrophobicContact CZ-CD1 3.86Å; F249-I270 HydrophobicContact CZ-CG1 3.84Å; F249-I270 HydrophobicContact CZ-CG2 4.22Å; F257-I270 HydrophobicContact CB-CG2 3.32Å; F257-I270 HydrophobicContact CD1-CG2 4.04Å; F257-I270 HydrophobicContact CD2-CG2 4.37Å; F257-I270 HydrophobicContact CG-CG2 3.66Å; N259-I270 CarbonylContact O-C 3.26Å; N259-I270 WeakPolarHBondContact O-CA 3.45Å; W268-I270 HydrophobicContact CB-CD1 3.96Å; I270-F272 HydrophobicContact CB-CE2 4.13Å; I270-F272 HydrophobicContact CG2-CD2 4.31Å; I270-F272 HydrophobicContact CG2-CE2 3.52Å; I270-F272 HydrophobicContact CG2-CZ 3.64Å
271T89.6Confident88.8Confident22 Ų2256.9 Ų56.914%0.13529%0.285CS..EExtended strand (participates in β ladder)trans-104.1122-178-52.40000109.5C229 I230 F257 I258 N259C229-T271 CarbonylContact O-C 3.41Å; C229-T271 WeakPolarHBondContact O-CA 3.18Å; I230-T271 HydrophobicContact CG1-CG2 4.19Å; F257-T271 CarbonylContact C-O 3.57Å; I258-T271 PolarHBondContact N-O 3.29Å; N259-T271 PolarHBondContact N-O 3.42Å; N259-T271 PolarHBondContact O-N 3.29Å
272F89.6Confident88.9Confident3 Ų355.1 Ų55.11%0.01327%0.274CS..EExtended strand (participates in β ladder)trans-96.3174.5175.2-64.4-91.7000111.3C229 V231 F249 P255 F257 I270 D277 A278 A281C229-F272 WeakPolarHBondContact CB-O 3.28Å; C229-F272 PolarHBondContact O-N 2.77Å; V231-F272 HydrophobicContact CB-CE2 3.99Å; V231-F272 HydrophobicContact CG2-CD2 4Å; V231-F272 HydrophobicContact CG2-CE2 3.58Å; F249-F272 AromaticContact CD1-CZ 3.83Å; F249-F272 HydrophobicContact CD1-CZ 3.83Å; F249-F272 HydrophobicContact CE1-CE2 4.44Å; F249-F272 AromaticContact CE1-CZ 3.83Å; F249-F272 HydrophobicContact CE1-CZ 3.83Å; P255-F272 HydrophobicContact CB-CD1 4.38Å; P255-F272 HydrophobicContact CG-CD1 3.95Å; P255-F272 HydrophobicContact CG-CE1 4.03Å; P255-F272 WeakPolarHBondContact O-CE1 3.36Å; F257-F272 HydrophobicContact CB-CD1 4.08Å; F257-F272 HydrophobicContact CB-CE1 3.86Å; F257-F272 HydrophobicContact CB-CZ 4.11Å; I270-F272 HydrophobicContact CB-CE2 4.13Å; I270-F272 HydrophobicContact CG2-CD2 4.31Å; I270-F272 HydrophobicContact CG2-CE2 3.52Å; I270-F272 HydrophobicContact CG2-CZ 3.64Å; F272-D277 HydrophobicContact CB-CB 3.8Å; F272-D277 HydrophobicContact CD1-CB 4.09Å; F272-D277 HydrophobicContact CG-CB 4.18Å; F272-A278 HydrophobicContact CB-CB 4.22Å; F272-A278 HydrophobicContact CD2-CB 3.86Å; F272-A278 HydrophobicContact CG-CB 4.27Å; F272-A281 HydrophobicContact CE1-CB 3.74Å; F272-A281 HydrophobicContact CE2-CB 3.87Å; F272-A281 HydrophobicContact CZ-CB 3.34Å
273E84.4Confident88.9Confident152 Ų15258.2 Ų58.271%0.7129%0.289SS*.SBendtrans-77-58.9175.3-165.5163.7179.200110.6C229 I258C229-E273 PolarHBondContact SG-O 3.17Å; C229-E273 VanDerWaalsContact SG-O 3.32Å; I258-E273 HydrophobicContact CD1-CB 3.8Å; I258-E273 HydrophobicContact CD1-CG 4.09Å; I258-E273 HydrophobicContact CG1-CB 4.36Å
274S84.6Confident89.1Confident47 Ų4760.4 Ų60.433%0.32930%0.296SS..SBendtrans-94.1159.5178.2-169.90000113.8A276 D277 A278S274-A276 VanDerWaalsContact C-N 3.32Å; S274-A276 PolarHBondContact OG-N 3.37Å; S274-D277 WeakPolarHBondContact CB-OD2 2.97Å; S274-D277 PolarHBondContact N-OD2 2.89Å; S274-A278 PolarHBondContact O-N 3.27Å
275E87.6Confident89.5Confident29 Ų2951.3 Ų51.314%0.13626%0.26CS..Hα-helixtrans-68.7-33.9164175.1162.6176.200110.8N227 R228 C229 D277 A278 Q279N227-E275 WeakPolarHBondContact CA-OE2 3.45Å; N227-E275 HydrophobicContact CB-CB 4.41Å; R228-E275 VanDerWaalsContact CB-CD 3.48Å; R228-E275 HydrophobicContact CB-CG 4.06Å; R228-E275 WeakPolarHBondContact CG-OE1 3.23Å; R228-E275 WeakPolarHBondContact CG-OE2 3.3Å; R228-E275 IonicContact CZ-OE1 3.98Å; R228-E275 PolarHBondContact N-OE2 3.07Å; R228-E275 IonicContact NH1-OE1 3.93Å; R228-E275 PolarHBondContact NH1-OE1 2.81Å; C229-E275 PolarHBondContact SG-N 2.94Å; E275-D277 VanDerWaalsContact C-N 3.28Å; E275-D277 PolarHBondContact O-N 3.34Å; E275-A278 PolarHBondContact O-N 3.27Å; E275-Q279 HydrophobicContact CG-CG 4.13Å; E275-Q279 WeakPolarHBondContact O-CB 3.5Å; E275-Q279 VanDerWaalsContact O-CG 3.31Å; E275-Q279 WeakPolarHBondContact O-CG 3.36Å; E275-Q279 PolarHBondContact O-N 2.68Å; E275-Q279 PolarHBondContact OE1-NE2 3.39Å
276A88.8Confident89.5Confident59 Ų5949.5 Ų49.549%0.48824%0.242SC..Hα-helixtrans-59-42.5175.400000111.2S274 Q279 Q280S274-A276 VanDerWaalsContact C-N 3.32Å; S274-A276 PolarHBondContact OG-N 3.37Å; A276-Q279 PolarHBondContact O-N 3.05Å; A276-Q280 WeakPolarHBondContact O-CB 3.33Å; A276-Q280 PolarHBondContact O-N 3.23Å
277D91.3Very high89.3Confident40 Ų4051.7 Ų51.721%0.21425%0.25CS..Hα-helixtrans-61.3-48.3177.1-60.3-22000111.8P255 F272 S274 E275 Q279 Q280 A281P255-D277 HydrophobicContact CB-CB 3.59Å; P255-D277 HydrophobicContact CG-CB 3.51Å; P255-D277 WeakPolarHBondContact CG-O 3.31Å; F272-D277 HydrophobicContact CB-CB 3.8Å; F272-D277 HydrophobicContact CD1-CB 4.09Å; F272-D277 HydrophobicContact CG-CB 4.18Å; S274-D277 WeakPolarHBondContact CB-OD2 2.97Å; S274-D277 PolarHBondContact N-OD2 2.89Å; E275-D277 VanDerWaalsContact C-N 3.28Å; E275-D277 PolarHBondContact O-N 3.34Å; D277-Q279 VanDerWaalsContact C-N 3.3Å; D277-Q279 PolarHBondContact O-N 2.87Å; D277-Q280 PolarHBondContact O-N 3.15Å; D277-A281 WeakPolarHBondContact O-CB 3.44Å; D277-A281 PolarHBondContact O-N 2.9Å
278A90.9Very high88.7Confident0 Ų057.1 Ų57.10%028%0.275CS..Hα-helixtrans-64.9-33.317800000112.4R228 V231 F272 S274 E275 Y282R228-A278 WeakPolarHBondContact O-CB 3.46Å; V231-A278 HydrophobicContact CG2-CB 4.03Å; V231-A278 VanDerWaalsContact CG2-O 3.26Å; V231-A278 WeakPolarHBondContact CG2-O 3.28Å; F272-A278 HydrophobicContact CB-CB 4.22Å; F272-A278 HydrophobicContact CD2-CB 3.86Å; F272-A278 HydrophobicContact CG-CB 4.27Å; S274-A278 PolarHBondContact O-N 3.27Å; E275-A278 PolarHBondContact O-N 3.27Å; A278-Y282 WeakPolarHBondContact O-CB 3.31Å; A278-Y282 PolarHBondContact O-N 3.34Å
279Q90.8Very high88Confident93 Ų9357.7 Ų57.744%0.43528%0.279SS..Hα-helixtrans-68.2-46.1172.8-72.3-179.416.400111.5E275 A276 D277 Y282 Q283 I301E275-Q279 HydrophobicContact CG-CG 4.13Å; E275-Q279 WeakPolarHBondContact O-CB 3.5Å; E275-Q279 VanDerWaalsContact O-CG 3.31Å; E275-Q279 WeakPolarHBondContact O-CG 3.36Å; E275-Q279 PolarHBondContact O-N 2.68Å; E275-Q279 PolarHBondContact OE1-NE2 3.39Å; A276-Q279 PolarHBondContact O-N 3.05Å; D277-Q279 VanDerWaalsContact C-N 3.3Å; D277-Q279 PolarHBondContact O-N 2.87Å; Q279-Y282 PolarHBondContact O-N 3.05Å; Q279-Q283 WeakPolarHBondContact O-CB 3.44Å; Q279-Q283 PolarHBondContact O-N 3.09Å; Q279-I301 HydrophobicContact CB-CD1 4.47Å; Q279-I301 HydrophobicContact CG-CD1 3.93Å
280Q91.3Very high87.2Confident93 Ų9361.7 Ų61.744%0.43530%0.297SS..Hα-helixtrans-61.6-48.4177.4-173.6177.420.300111.8N253 A276 D277 Y282 Q283 Y284N253-Q280 PolarHBondContact O-NE2 3.22Å; A276-Q280 WeakPolarHBondContact O-CB 3.33Å; A276-Q280 PolarHBondContact O-N 3.23Å; D277-Q280 PolarHBondContact O-N 3.15Å; Q280-Y282 VanDerWaalsContact C-N 3.35Å; Q280-Y282 PolarHBondContact O-N 3.2Å; Q280-Q283 PolarHBondContact O-N 2.9Å; Q280-Y284 PolarHBondContact O-N 3.44Å
281A91.1Very high86.6Confident0 Ų065.6 Ų65.60%032%0.321CS..Hα-helixtrans-63.8-38.7176.900000112.3F249 L254 P255 F272 D277 Q283 L285F249-A281 HydrophobicContact CD1-CB 4.13Å; F249-A281 HydrophobicContact CE1-CB 4.13Å; L254-A281 HydrophobicContact CD2-CB 4Å; P255-A281 HydrophobicContact CG-CB 4.48Å; F272-A281 HydrophobicContact CE1-CB 3.74Å; F272-A281 HydrophobicContact CE2-CB 3.87Å; F272-A281 HydrophobicContact CZ-CB 3.34Å; D277-A281 WeakPolarHBondContact O-CB 3.44Å; D277-A281 PolarHBondContact O-N 2.9Å; A281-Q283 VanDerWaalsContact C-N 3.34Å; A281-L285 WeakPolarHBondContact O-CD1 3.33Å; A281-L285 VanDerWaalsContact O-CG 3.24Å; A281-L285 WeakPolarHBondContact O-CG 3.48Å; A281-L285 PolarHBondContact O-N 3.2Å
282Y91.2Very high86.2Confident67 Ų6765.8 Ų65.826%0.26332%0.32SS..Hα-helixtrans-62.2-40172.3173.5-100.1000112.6A278 Q279 Q280 L285 R286 A299 I301A278-Y282 WeakPolarHBondContact O-CB 3.31Å; A278-Y282 PolarHBondContact O-N 3.34Å; Q279-Y282 PolarHBondContact O-N 3.05Å; Q280-Y282 VanDerWaalsContact C-N 3.35Å; Q280-Y282 PolarHBondContact O-N 3.2Å; Y282-L285 PolarHBondContact O-N 3.19Å; Y282-R286 HydrophobicContact CE1-CG 4.08Å; Y282-R286 HydrophobicContact CE2-CG 4.09Å; Y282-R286 WeakPolarHBondContact O-CG 3.27Å; Y282-R286 PolarHBondContact O-N 2.75Å; Y282-R286 PolarHBondContact OH-NE 3.06Å; Y282-A299 HydrophobicContact CD2-CB 3.69Å; Y282-A299 HydrophobicContact CE2-CB 3.72Å; Y282-I301 HydrophobicContact CD1-CD1 3.75Å; Y282-I301 HydrophobicContact CD1-CG1 3.97Å; Y282-I301 HydrophobicContact CD2-CD1 4.4Å; Y282-I301 HydrophobicContact CD2-CG1 3.71Å; Y282-I301 HydrophobicContact CE2-CG1 4.39Å; Y282-I301 HydrophobicContact CG-CD1 3.67Å; Y282-I301 HydrophobicContact CG-CG1 3.47Å; Y282-I301 VanDerWaalsContact CG-CG1 3.47Å
283Q89.6Confident85.7Confident105 Ų10570.3 Ų70.349%0.49134%0.341SS..Hα-helixtrans-67.9-46.4179.3-169163400111.2Q279 Q280 A281 L285 R286 E287Q279-Q283 WeakPolarHBondContact O-CB 3.44Å; Q279-Q283 PolarHBondContact O-N 3.09Å; Q280-Q283 PolarHBondContact O-N 2.9Å; A281-Q283 VanDerWaalsContact C-N 3.34Å; Q283-L285 VanDerWaalsContact C-N 3.33Å; Q283-L285 PolarHBondContact O-N 2.88Å; Q283-R286 WeakPolarHBondContact O-CA 3.05Å; Q283-R286 WeakPolarHBondContact O-CB 3.31Å; Q283-R286 PolarHBondContact O-N 2.89Å; Q283-E287 VanDerWaalsContact CG-CD 3.48Å; Q283-E287 HydrophobicContact CG-CG 4.28Å; Q283-E287 WeakPolarHBondContact CG-OE1 3.42Å; Q283-E287 PolarHBondContact NE2-OE1 2.92Å; Q283-E287 PolarHBondContact O-N 3.22Å
284Y89.3Confident85.5Confident56 Ų5666.6 Ų66.622%0.2234%0.343CS..Hα-helixtrans-54.1-44.9172.3-179.8-92.8000112.8L248 L254 Q280 R286 E287 E288 V289L248-Y284 WeakPolarHBondContact O-CE1 3.17Å; L254-Y284 HydrophobicContact CD1-CD1 3.68Å; L254-Y284 HydrophobicContact CD1-CD2 3.94Å; L254-Y284 HydrophobicContact CD1-CE1 3.57Å; L254-Y284 HydrophobicContact CD1-CE2 3.83Å; L254-Y284 HydrophobicContact CD1-CG 3.87Å; L254-Y284 HydrophobicContact CD2-CD1 3.8Å; L254-Y284 HydrophobicContact CD2-CE1 4.48Å; L254-Y284 HydrophobicContact CD2-CG 3.89Å; L254-Y284 HydrophobicContact CG-CD1 4.21Å; L254-Y284 HydrophobicContact CG-CD2 4.39Å; L254-Y284 HydrophobicContact CG-CG 4.13Å; Q280-Y284 PolarHBondContact O-N 3.44Å; Y284-R286 PolarHBondContact O-N 2.7Å; Y284-E287 PolarHBondContact O-N 2.72Å; Y284-E288 HydrophobicContact CD2-CB 3.81Å; Y284-E288 VanDerWaalsContact CD2-CD 3.44Å; Y284-E288 HydrophobicContact CD2-CG 3.94Å; Y284-E288 WeakPolarHBondContact CD2-OE1 3.35Å; Y284-E288 HydrophobicContact CE2-CB 3.66Å; Y284-E288 HydrophobicContact CE2-CG 3.96Å; Y284-E288 WeakPolarHBondContact CE2-OE1 3.22Å; Y284-E288 VanDerWaalsContact CE2-OE2 3.26Å; Y284-E288 WeakPolarHBondContact CE2-OE2 3.47Å; Y284-E288 HydrophobicContact CG-CB 4.34Å; Y284-E288 PolarHBondContact O-N 2.9Å; Y284-V289 HydrophobicContact CD1-CG2 3.68Å; Y284-V289 HydrophobicContact CE1-CG2 3.32Å; Y284-V289 PolarHBondContact O-N 3.01Å; Y284-V289 VanDerWaalsContact O-N 3.08Å
285L88.9Confident85.4Confident0 Ų070.5 Ų70.50%035%0.354CS..Iπ-helixtrans-61.2-28.8176.2-75.1164.4000113.5V231 L233 L248 F249 A281 Y282 Q283 V289 K290 I297 A299V231-L285 HydrophobicContact CG1-CD1 3.64Å; L233-L285 HydrophobicContact CD2-CD1 3.59Å; L233-L285 HydrophobicContact CD2-CD2 3.84Å; L233-L285 HydrophobicContact CD2-CG 4.33Å; L248-L285 HydrophobicContact CB-CD2 4.25Å; L248-L285 HydrophobicContact CD1-CD2 4.46Å; F249-L285 HydrophobicContact CE1-CD1 3.65Å; F249-L285 HydrophobicContact CE1-CD2 4.31Å; F249-L285 HydrophobicContact CE1-CG 4.11Å; F249-L285 HydrophobicContact CZ-CD1 3.82Å; F249-L285 HydrophobicContact CZ-CD2 4.25Å; F249-L285 HydrophobicContact CZ-CG 4.42Å; A281-L285 WeakPolarHBondContact O-CD1 3.33Å; A281-L285 VanDerWaalsContact O-CG 3.24Å; A281-L285 WeakPolarHBondContact O-CG 3.48Å; A281-L285 PolarHBondContact O-N 3.2Å; Y282-L285 PolarHBondContact O-N 3.19Å; Q283-L285 VanDerWaalsContact C-N 3.33Å; Q283-L285 PolarHBondContact O-N 2.88Å; L285-V289 HydrophobicContact CD2-CB 4.43Å; L285-V289 HydrophobicContact CD2-CG2 4.14Å; L285-K290 PolarHBondContact O-N 2.79Å; L285-I297 HydrophobicContact CD2-CD1 4.2Å; L285-I297 WeakPolarHBondContact O-CG2 2.85Å; L285-A299 HydrophobicContact CB-CB 4.2Å; L285-A299 HydrophobicContact CD1-CB 4.05Å
286R85.6Confident85.3Confident108 Ų10873.2 Ų73.241%0.40837%0.374SS..Iπ-helixtrans-88.2-35.6-179.2-72.5-58-164.4169.12.1113.5Y282 Q283 Y284 A299Y282-R286 HydrophobicContact CE1-CG 4.08Å; Y282-R286 HydrophobicContact CE2-CG 4.09Å; Y282-R286 WeakPolarHBondContact O-CG 3.27Å; Y282-R286 PolarHBondContact O-N 2.75Å; Y282-R286 PolarHBondContact OH-NE 3.06Å; Q283-R286 WeakPolarHBondContact O-CA 3.05Å; Q283-R286 WeakPolarHBondContact O-CB 3.31Å; Q283-R286 PolarHBondContact O-N 2.89Å; Y284-R286 PolarHBondContact O-N 2.7Å; R286-A299 PolarHBondContact NH2-O 2.73Å
287E84.6Confident85.2Confident127 Ų12770.8 Ų70.859%0.59335%0.353SS*.Iπ-helixtrans-97.3-50-172.3-66.8177.4-169.500112Q283 Y284Q283-E287 VanDerWaalsContact CG-CD 3.48Å; Q283-E287 HydrophobicContact CG-CG 4.28Å; Q283-E287 WeakPolarHBondContact CG-OE1 3.42Å; Q283-E287 PolarHBondContact NE2-OE1 2.92Å; Q283-E287 PolarHBondContact O-N 3.22Å; Y284-E287 PolarHBondContact O-N 2.72Å
288E79Confident85.1Confident132 Ų13272.8 Ų72.862%0.61736%0.36SS*.Iπ-helixtrans-92.9-55.8-175.2-66.7-167-124.400113.1Y284Y284-E288 HydrophobicContact CD2-CB 3.81Å; Y284-E288 VanDerWaalsContact CD2-CD 3.44Å; Y284-E288 HydrophobicContact CD2-CG 3.94Å; Y284-E288 WeakPolarHBondContact CD2-OE1 3.35Å; Y284-E288 HydrophobicContact CE2-CB 3.66Å; Y284-E288 HydrophobicContact CE2-CG 3.96Å; Y284-E288 WeakPolarHBondContact CE2-OE1 3.22Å; Y284-E288 VanDerWaalsContact CE2-OE2 3.26Å; Y284-E288 WeakPolarHBondContact CE2-OE2 3.47Å; Y284-E288 HydrophobicContact CG-CB 4.34Å; Y284-E288 PolarHBondContact O-N 2.9Å
289V77.8Confident85.1Confident23 Ų2372.9 Ų72.914%0.13936%0.361CS..Iπ-helixtrans-62.3-63.2-178.2176.80000109.9L248 Y284 L285 T291 I297L248-V289 HydrophobicContact CD2-CG1 3.6Å; L248-V289 HydrophobicContact CD2-CG2 4.33Å; Y284-V289 HydrophobicContact CD1-CG2 3.68Å; Y284-V289 HydrophobicContact CE1-CG2 3.32Å; Y284-V289 PolarHBondContact O-N 3.01Å; Y284-V289 VanDerWaalsContact O-N 3.08Å; L285-V289 HydrophobicContact CD2-CB 4.43Å; L285-V289 HydrophobicContact CD2-CG2 4.14Å; V289-T291 PolarHBondContact O-N 2.92Å; V289-I297 HydrophobicContact CG1-CD1 4.46Å; V289-I297 HydrophobicContact CG1-CG2 4.09Å
290K73.5Confident85.1Confident140 Ų14072.5 Ų72.561%0.60936%0.356SS*.  trans59.6-39.2173.6-167.9174.4-178.5175.20117L285 P296 I297L285-K290 PolarHBondContact O-N 2.79Å; K290-P296 WeakPolarHBondContact O-CA 3.48Å; K290-I297 PolarHBondContact O-N 2.85Å
291T79.6Confident85.1Confident82 Ų8270.5 Ų70.550%0.50335%0.347SS..EExtended strand (participates in β ladder)trans-132135174.149.80000110.9V289 K295V289-T291 PolarHBondContact O-N 2.92Å; T291-K295 CarbonylContact C-O 3.41Å; T291-K295 WeakPolarHBondContact CA-O 3.38Å
292F81.3Confident84.9Confident26 Ų2674.7 Ų74.711%0.11437%0.366CS..EExtended strand (participates in β ladder)trans-124.1134.6173177.4-108.8000109.3V236 T240 E244 L248 G294 K295 I297V236-F292 HydrophobicContact CG1-CD1 4.26Å; V236-F292 HydrophobicContact CG1-CE1 3.84Å; V236-F292 HydrophobicContact CG2-CD1 4.13Å; T240-F292 HydrophobicContact CG2-CE1 3.83Å; T240-F292 HydrophobicContact CG2-CZ 3.57Å; E244-F292 HydrophobicContact CB-CE2 4.32Å; E244-F292 HydrophobicContact CB-CZ 4.07Å; E244-F292 VanDerWaalsContact OE2-CZ 3.28Å; E244-F292 WeakPolarHBondContact OE2-CZ 3.49Å; L248-F292 HydrophobicContact CD1-CD2 4.14Å; L248-F292 HydrophobicContact CD1-CE2 4.42Å; L248-F292 HydrophobicContact CD1-CG 4.43Å; L248-F292 HydrophobicContact CD2-CD2 3.6Å; L248-F292 HydrophobicContact CD2-CE2 4.13Å; L248-F292 HydrophobicContact CD2-CG 4.39Å; L248-F292 HydrophobicContact CG-CD2 4.17Å; L248-F292 HydrophobicContact CG-CE2 4.34Å; F292-G294 PolarHBondContact O-N 3.11Å; F292-G294 VanDerWaalsContact O-N 3.09Å; F292-K295 PolarHBondContact N-O 3.44Å; F292-K295 PolarHBondContact O-N 3.29Å; F292-K295 VanDerWaalsContact O-O 3.09Å; F292-I297 HydrophobicContact CB-CB 4.28Å; F292-I297 HydrophobicContact CB-CD1 3.98Å; F292-I297 HydrophobicContact CB-CG1 4.41Å
293Q79.7Confident84.4Confident97 Ų9773 Ų7345%0.45337%0.366SS..THydrogen-bonded Turntrans47.137.9-173.1-60.8178.3-2.400113.2T240 E244 K295T240-Q293 PolarHBondContact OG1-NE2 3.48Å; E244-Q293 PolarHBondContact OE2-NE2 2.99Å; Q293-K295 VanDerWaalsContact C-N 3.27Å; Q293-K295 PolarHBondContact O-N 2.66Å
294G79.1Confident83.6Confident74 Ų7474 Ų7476%0.76337%0.368SS*.THydrogen-bonded Turntrans74.81.1-177.800000116.3F292F292-G294 PolarHBondContact O-N 3.11Å; F292-G294 VanDerWaalsContact O-N 3.09Å
295K83.4Confident82.4Confident130 Ų13074 Ų7457%0.56538%0.379SS*.EExtended strand (participates in β ladder)trans-108.4145.2178.8-62.2170.4-175.2164.70110.6T291 F292 Q293 I297T291-K295 CarbonylContact C-O 3.41Å; T291-K295 WeakPolarHBondContact CA-O 3.38Å; F292-K295 PolarHBondContact N-O 3.44Å; F292-K295 PolarHBondContact O-N 3.29Å; F292-K295 VanDerWaalsContact O-O 3.09Å; Q293-K295 VanDerWaalsContact C-N 3.27Å; Q293-K295 PolarHBondContact O-N 2.66Å; K295-I297 PolarHBondContact O-N 3.28Å
296P84.2Confident81.4Confident85 Ų8575.6 Ų75.655%0.55239%0.387SS*.EExtended strand (participates in β ladder)trans-66.8124.1179.127.6-34.5000111.7K290K290-P296 WeakPolarHBondContact O-CA 3.48Å
297I86.8Confident80Confident9 Ų973.4 Ų73.45%0.04639%0.392CS..  trans-79.6136.8-175.7-161.6170.2000111.6L233 V236 L248 L285 V289 K290 F292 K295L233-I297 HydrophobicContact CD1-CD1 4.26Å; L233-I297 HydrophobicContact CD2-CD1 3.86Å; L233-I297 HydrophobicContact CD2-CG1 4.3Å; V236-I297 HydrophobicContact CG2-CD1 4.26Å; V236-I297 HydrophobicContact CG2-CG1 4.29Å; L248-I297 HydrophobicContact CD1-CD1 3.58Å; L285-I297 HydrophobicContact CD2-CD1 4.2Å; L285-I297 WeakPolarHBondContact O-CG2 2.85Å; V289-I297 HydrophobicContact CG1-CD1 4.46Å; V289-I297 HydrophobicContact CG1-CG2 4.09Å; K290-I297 PolarHBondContact O-N 2.85Å; F292-I297 HydrophobicContact CB-CB 4.28Å; F292-I297 HydrophobicContact CB-CD1 3.98Å; F292-I297 HydrophobicContact CB-CG1 4.41Å; K295-I297 PolarHBondContact O-N 3.28Å
298K88.8Confident78.8Confident81 Ų8168.2 Ų68.235%0.35237%0.369SS..  trans-11675.2-173.5-74.8176.5-172.7145.60112.9R234 E235R234-K298 HydrophobicContact CB-CB 4.05Å; R234-K298 VanDerWaalsContact CB-O 3.32Å; R234-K298 WeakPolarHBondContact CB-O 3.41Å; R234-K298 WeakPolarHBondContact CG-O 3.26Å; R234-K298 PolarHBondContact N-O 2.88Å; R234-K298 VanDerWaalsContact N-O 3.08Å; E235-K298 VanDerWaalsContact OE1-CD 3.27Å; E235-K298 WeakPolarHBondContact OE1-CD 3.34Å; E235-K298 IonicContact OE1-NZ 3.67Å; E235-K298 PolarHBondContact OE1-NZ 3.24Å; E235-K298 WeakPolarHBondContact OE2-CE 3.4Å; E235-K298 IonicContact OE2-NZ 3.18Å; E235-K298 PolarHBondContact OE2-NZ 2.85Å
299A92.2Very high77.5Confident3 Ų367.2 Ų67.23%0.02537%0.368CS..  trans-68.7154.3171.100000113V231 I232 L233 Y282 L285 R286V231-A299 HydrophobicContact CG1-CB 4.45Å; I232-A299 CarbonylContact O-C 3.51Å; I232-A299 VanDerWaalsContact O-CA 3.31Å; I232-A299 WeakPolarHBondContact O-CA 3.37Å; L233-A299 HydrophobicContact CD2-CB 4.12Å; Y282-A299 HydrophobicContact CD2-CB 3.69Å; Y282-A299 HydrophobicContact CE2-CB 3.72Å; L285-A299 HydrophobicContact CB-CB 4.2Å; L285-A299 HydrophobicContact CD1-CB 4.05Å; R286-A299 PolarHBondContact NH2-O 2.73Å
300R91.3Very high76.2Confident85 Ų8569.7 Ų69.732%0.32138%0.383SS..EExtended strand (participates in β ladder)trans-144.4151.9161.562.5178.7159.8159.9-7.5109.1I232 N267I232-R300 HydrophobicContact CB-CG 3.69Å; I232-R300 HydrophobicContact CG1-CG 4.49Å; I232-R300 HydrophobicContact CG2-CG 4.23Å; I232-R300 PolarHBondContact N-O 2.98Å; I232-R300 PolarHBondContact O-N 3.47Å; N267-R300 PolarHBondContact OD1-NH2 3.48Å
301I90.9Very high75Confident51 Ų5171 Ų7126%0.26239%0.389SS..EExtended strand (participates in β ladder)trans-88.4149.2168.4-60.8-179.1000109.7R228 I230 Q279 Y282R228-I301 HydrophobicContact CB-CG2 3.47Å; R228-I301 VanDerWaalsContact CB-CG2 3.47Å; R228-I301 HydrophobicContact CG-CG2 4.41Å; R228-I301 WeakPolarHBondContact O-CG2 3.04Å; I230-I301 CarbonylContact O-C 3.51Å; Q279-I301 HydrophobicContact CB-CD1 4.47Å; Q279-I301 HydrophobicContact CG-CD1 3.93Å; Y282-I301 HydrophobicContact CD1-CD1 3.75Å; Y282-I301 HydrophobicContact CD1-CG1 3.97Å; Y282-I301 HydrophobicContact CD2-CD1 4.4Å; Y282-I301 HydrophobicContact CD2-CG1 3.71Å; Y282-I301 HydrophobicContact CE2-CG1 4.39Å; Y282-I301 HydrophobicContact CG-CD1 3.67Å; Y282-I301 HydrophobicContact CG-CG1 3.47Å; Y282-I301 VanDerWaalsContact CG-CG1 3.47Å
302K86.9Confident73.5Confident88 Ų8874 Ų7438%0.38340%0.399SS..EExtended strand (participates in β ladder)trans-144.9146.2172.9-167-160.8165.7-169.90111R228 I230 I232R228-K302 CarbonylContact C-O 3.58Å; I230-K302 WeakPolarHBondContact CB-O 3.46Å; I230-K302 PolarHBondContact N-O 3.18Å; I230-K302 PolarHBondContact O-N 2.89Å; I232-K302 HydrophobicContact CD1-CB 3.65Å; I232-K302 HydrophobicContact CD1-CD 3.58Å; I232-K302 HydrophobicContact CD1-CG 4.17Å; I232-K302 HydrophobicContact CG1-CB 4.3Å
303A80.7Confident71.5Confident32 Ų3276.9 Ų76.926%0.26442%0.42SS..  trans-65.9147.8164.500000112.6Q226 R228 A305Q226-A303 WeakPolarHBondContact O-CB 3.08Å; R228-A303 HydrophobicContact CG-CB 4.46Å; A303-A305 VanDerWaalsContact C-N 3.26Å; A303-A305 PolarHBondContact O-N 2.99Å
304K71.9Confident69.7Low126 Ų12681.9 Ų81.955%0.54844%0.441SS..  trans-70.384.8168.1-173.4173.5-177.1179.30109I230 I306I230-K304 HydrophobicContact CD1-CB 3.9Å; I230-K304 HydrophobicContact CD1-CG 4.14Å; I230-K304 HydrophobicContact CG1-CB 4.32Å; K304-I306 PolarHBondContact O-N 3.12Å; K304-I306 VanDerWaalsContact O-N 3.08Å
305A65.3Low68Low54 Ų5484.8 Ų84.845%0.44644%0.438SS..  trans-47.5115.8-169.900000112.4R163 A303 A307R163-A305 PolarHBondContact NE-O 2.85Å; R163-A305 PolarHBondContact NH2-O 2.85Å; A303-A305 VanDerWaalsContact C-N 3.26Å; A303-A305 PolarHBondContact O-N 2.99Å; A305-A307 PolarHBondContact O-N 3.44Å
306I67Low65.8Low34 Ų3482.3 Ų82.317%0.17445%0.45CS..  trans-77.7108.7179.5-51.2-171.4000106.5R163 P224 Q226 K304 I308R163-I306 HydrophobicContact CB-CG2 4.46Å; R163-I306 HydrophobicContact CG-CG2 3.95Å; P224-I306 HydrophobicContact CB-CD1 3.44Å; P224-I306 VanDerWaalsContact CB-CD1 3.44Å; P224-I306 HydrophobicContact CG-CD1 4.48Å; Q226-I306 HydrophobicContact CG-CD1 4.42Å; K304-I306 PolarHBondContact O-N 3.12Å; K304-I306 VanDerWaalsContact O-N 3.08Å; I306-I308 HydrophobicContact CB-CG1 4.4Å; I306-I308 HydrophobicContact CG2-CD1 4.15Å; I306-I308 HydrophobicContact CG2-CG1 3.63Å; I306-I308 PolarHBondContact O-N 3.38Å
307A55.7Low63.5Low62 Ų6288.2 Ų88.251%0.51246%0.463SS..  trans-83.555.5-173.100000110.4A167 A305 N309A167-A307 WeakPolarHBondContact CB-O 3.17Å; A305-A307 PolarHBondContact O-N 3.44Å; A307-N309 PolarHBondContact O-N 3.44Å
308I60.4Low61.3Low18 Ų1898.1 Ų98.19%0.09250%0.5CS..  trans-59.4122.7171.9-49.4-172.8000106.6L166 I173 M176 Q180 I306 T310L166-I308 HydrophobicContact CD2-CD1 4.29Å; I173-I308 HydrophobicContact CD1-CG2 4.34Å; I173-I308 HydrophobicContact CG1-CG2 4.05Å; I173-I308 HydrophobicContact CG2-CG2 4.47Å; M176-I308 HydrophobicContact CE-CD1 3.59Å; M176-I308 HydrophobicContact SD-CD1 3.87Å; M176-I308 HydrophobicContact SD-CG2 4.36Å; Q180-I308 HydrophobicContact CG-CD1 4.48Å; I306-I308 HydrophobicContact CB-CG1 4.4Å; I306-I308 HydrophobicContact CG2-CD1 4.15Å; I306-I308 HydrophobicContact CG2-CG1 3.63Å; I306-I308 PolarHBondContact O-N 3.38Å; I308-T310 PolarHBondContact O-N 3.32Å; I308-T310 PolarHBondContact O-OG1 3.37Å
309N51.3Low59.1Low112 Ų112100.1 Ų100.160%0.59952%0.521SS*.  trans-77.761.5177.7-170.827.9000109.6A307 F311A307-N309 PolarHBondContact O-N 3.44Å; N309-F311 PolarHBondContact O-N 2.9Å
310T50.3Low56.9Low74 Ų74106.2 Ų106.245%0.45456%0.557SS.*  trans-64.498.7-175.3-47.50000109I308 M312I308-T310 PolarHBondContact O-N 3.32Å; I308-T310 PolarHBondContact O-OG1 3.37Å; T310-M312 HydrophobicContact CG2-CB 4.47Å; T310-M312 HydrophobicContact CG2-CG 3.57Å; T310-M312 PolarHBondContact O-N 3.35Å
311F48.9Very low54.5Low167 Ų167111 Ų11173%0.73258%0.583SS**  trans-74.751.1177.8-149.6-87.3000110.9N309 P313N309-F311 PolarHBondContact O-N 2.9Å; F311-P313 VanDerWaalsContact O-CD 3.24Å; F311-P313 WeakPolarHBondContact O-CD 3.34Å
312M47.2Very low52Low145 Ų145114.3 Ų114.371%0.71461%0.606SS**  trans-59.5115.4170.2-82.3-117.9167.700108.4T310 K314T310-M312 HydrophobicContact CG2-CB 4.47Å; T310-M312 HydrophobicContact CG2-CG 3.57Å; T310-M312 PolarHBondContact O-N 3.35Å; M312-K314 PolarHBondContact O-N 3.15Å; M312-K314 VanDerWaalsContact O-N 3.12Å
313P39.3Very low49.6Very low87 Ų87115.2 Ų115.257%0.56562%0.615SS**  trans-62.6119.6170.626.9-32.4000107.5F311 N315F311-P313 VanDerWaalsContact O-CD 3.24Å; F311-P313 WeakPolarHBondContact O-CD 3.34Å; P313-N315 PolarHBondContact O-N 3.24Å
314K42.8Very low48Very low203 Ų203118.9 Ų118.988%0.88364%0.636SS**SBendtrans-7020.4-176.4-64.9-175.8177.4177.60113.9M312M312-K314 PolarHBondContact O-N 3.15Å; M312-K314 VanDerWaalsContact O-N 3.12Å
315N42.2Very low46.5Very low134 Ų134121.4 Ų121.472%0.71764%0.643SS**SBendtrans-127.847.9-165.2-70.649000111.8P313 Y317P313-N315 PolarHBondContact O-N 3.24Å; N315-Y317 PolarHBondContact O-N 2.93Å
316G37.6Very low45.6Very low79 Ų79122 Ų12281%0.81465%0.649SS**SBendtrans68.7-16.3158.500000119R318G316-R318 PolarHBondContact O-N 2.87Å
317Y36.1Very low44.3Very low209 Ų209127 Ų12782%0.8267%0.671SS**  trans-73.796.1180-101.5-94.1000111.5N315N315-Y317 PolarHBondContact O-N 2.93Å
318R41.3Very low43.8Very low217 Ų217130.5 Ų130.582%0.81968%0.677SS**PPolyproline II helixtrans-73.6140.1149.7-56.5-174.4-167.3-94.26107.6G316 V320G316-R318 PolarHBondContact O-N 2.87Å; R318-V320 PolarHBondContact O-N 3.35Å
319P41.4Very low43.1Very low122 Ų122137.3 Ų137.379%0.79271%0.708SS**PPolyproline II helixtrans-54136.6160.8-22.634.2000109.4
320V46.6Very low42.7Very low131 Ų131140 Ų14079%0.79472%0.718SS**PPolyproline II helixtrans-71.2133.7171.8174.20000108R318 V322R318-V320 PolarHBondContact O-N 3.35Å; V320-V322 PolarHBondContact O-N 2.89Å
321E41.6Very low42.1Very low185 Ų185143.9 Ų143.986%0.86473%0.73SS**  trans-62.3107.8176-66.8175.9134.100109.8N323E321-N323 VanDerWaalsContact C-N 3.3Å; E321-N323 PolarHBondContact O-N 2.87Å
322V37.9Very low41.5Very low121 Ų121145.1 Ų145.173%0.73373%0.73SS**  trans-75.886.9174.3-179.20000108V320 P324V320-V322 PolarHBondContact O-N 2.89Å; V322-P324 WeakPolarHBondContact O-CD 3.41Å
323N37.2Very low41.3Very low107 Ų107148.8 Ų148.857%0.57274%0.738SS**  trans-60.4115.5175.8-178.718.8000109.8E321 Y325 A326E321-N323 VanDerWaalsContact C-N 3.3Å; E321-N323 PolarHBondContact O-N 2.87Å; N323-Y325 PolarHBondContact O-N 2.91Å; N323-A326 PolarHBondContact O-N 3.22Å; N323-A326 VanDerWaalsContact O-N 3.15Å
324P46.2Very low40.9Very low109 Ų109151.8 Ų151.871%0.70876%0.755SS**THydrogen-bonded Turntrans-62.2-19.1-169.122.3-34.1000114.1V322 A326V322-P324 WeakPolarHBondContact O-CD 3.41Å; P324-A326 VanDerWaalsContact C-N 3.28Å; P324-A326 PolarHBondContact O-N 2.97Å
325Y40.2Very low40.3Very low179 Ų179147 Ų14770%0.70275%0.747SS**THydrogen-bonded Turntrans-67.3-21178.1-119.3-94.3000114.9N323N323-Y325 PolarHBondContact O-N 2.91Å
326A45.7Very low40Very low68 Ų68151.2 Ų151.256%0.56275%0.754SS**SBendtrans-74.9-34.9-176.200000113.2N323 P324 Q328 Q329N323-A326 PolarHBondContact O-N 3.22Å; N323-A326 VanDerWaalsContact O-N 3.15Å; P324-A326 VanDerWaalsContact C-N 3.28Å; P324-A326 PolarHBondContact O-N 2.97Å; A326-Q328 VanDerWaalsContact C-N 3.29Å; A326-Q328 PolarHBondContact O-N 2.74Å; A326-Q329 PolarHBondContact O-N 3.23Å
327Q39.7Very low39.6Very low137 Ų137158.3 Ų158.364%0.6476%0.758SS**THydrogen-bonded Turntrans-72.2-20.3-168.8-167.7163.6-4900113.6
328Q46.1Very low39.5Very low137 Ų137154.7 Ų154.764%0.6475%0.751SS**THydrogen-bonded Turntrans-77.4-20.6-177-156.2174.624.700113.7A326A326-Q328 VanDerWaalsContact C-N 3.29Å; A326-Q328 PolarHBondContact O-N 2.74Å
329Q46.3Very low39.4Very low160 Ų160149.4 Ų149.475%0.74875%0.745SS**THydrogen-bonded Turntrans-83.7-29-177.6-62.8-166.514.400113.7A326 Q331A326-Q329 PolarHBondContact O-N 3.23Å; Q329-Q331 VanDerWaalsContact C-N 3.33Å; Q329-Q331 PolarHBondContact O-N 2.97Å
330Q42.1Very low39.2Very low170 Ų170149.7 Ų149.779%0.79475%0.747SS**G310 helixtrans-77.1-15.3-179.7-80-179.3-36.200114.1R332Q330-R332 VanDerWaalsContact C-N 3.26Å; Q330-R332 PolarHBondContact O-N 3.3Å
331Q38.1Very low38.8Very low154 Ų154149.7 Ų149.772%0.7275%0.747SS**G310 helixtrans-87.822.2-178.7-62.2-64.2-1500113.9Q329Q329-Q331 VanDerWaalsContact C-N 3.33Å; Q329-Q331 PolarHBondContact O-N 2.97Å
332R35Very low38.2Very low194 Ų194151.3 Ų151.373%0.73275%0.747SS**G310 helixtrans-120.64-176.3-66.5-65.3-179.786-3.5114.9Q330Q330-R332 VanDerWaalsContact C-N 3.26Å; Q330-R332 PolarHBondContact O-N 3.3Å
333Y43.3Very low38Very low222 Ų222150.1 Ų150.187%0.87174%0.744SS**  trans-147.165.8-175-112.1-80.4000115
334T31.1Very low38.4Very low150 Ų150149.4 Ų149.492%0.9275%0.745SS**  trans-140.7143.4148.946.50000109.9
335S30.3Very low37.7Very low103 Ų103152.3 Ų152.372%0.7275%0.749SS**  trans-133.2142-176.2178.90000110.1
336Y36.2Very low37.6Very low221 Ų221151.8 Ų151.887%0.86775%0.753SS**  trans-2.8123.2172.2-62-91.2000119.4
337Y29.9Very low37Very low229 Ų229157 Ų15790%0.89877%0.765SS**  trans-149.5162.4133.6-151.9-103.7000112.7
338I33.5Very low36.7Very low133 Ų133158.9 Ų158.968%0.68277%0.772SS**  trans-104.5140.8-165.8-66.3168.2000111.5
339P38.4Very low36.5Very low106 Ų106155.9 Ų155.969%0.68876%0.764SS**  trans-83.9135.5172.833-33.4000112.8
340P38.8Very low36.3Very low128 Ų128153.1 Ų153.183%0.83175%0.754SS**  trans-79.3164167.633.5-34.1000112.1
341V36.3Very low35.7Very low130 Ų130152.2 Ų152.279%0.78875%0.745SS**  trans-120168.1-170.3-170.80000110.9
342Y30.1Very low35.2Very low220 Ų220148.9 Ų148.986%0.86374%0.738SS**  trans94.6150.5170.1-94.8-89.9000119.6
343S32.8Very low35.3Very low96 Ų96147.7 Ų147.767%0.67175%0.746SS**  trans-130.8-162.6-167.564.70000108.3
344P46Very low35.1Very low92 Ų92145.1 Ų145.160%0.59775%0.745SS**  cis-133.6-177.6-6.639.8-22.3000114.5
345Q31.3Very low35.3Very low169 Ų169143.5 Ų143.579%0.7974%0.735SS**  trans163.7120.8132.2-85.614453.800113.9
346Q38.3Very low35.6Very low169 Ų169144.8 Ų144.879%0.7974%0.741SS**  trans42.3144.7143.6-58174.9-4.700121.3
347Q34.3Very low35.4Very low176 Ų176142.5 Ų142.582%0.82274%0.738SS**  cis-161154.3-6.5-119173.6-28.900108.8
348F33Very low35.5Very low177 Ų177135.3 Ų135.378%0.77673%0.726SS**  trans-93177.6179.6-70.4-81000113.7
349P41.8Very low35.5Very low74 Ų74140.9 Ų140.948%0.48174%0.739SS.*  -143.865.588.742.2-27.9000120.2R745 W746 A747P349-R745 CarbonylContact O-C 3.43Å; P349-R745 VanDerWaalsContact O-O 3.08Å; P349-W746 CarbonylContact O-C 2.96Å; P349-W746 WeakPolarHBondContact O-CA 3.37Å; P349-W746 PolarHBondContact O-N 3.1Å; P349-W746 VanDerWaalsContact O-N 3.15Å; P349-A747 CarbonylContact C-O 3.53Å; P349-A747 VanDerWaalsContact C-O 3.31Å; P349-A747 HydrophobicContact CG-CB 4.41Å; P349-A747 PolarHBondContact O-N 3.35Å
350L41.5Very low35.2Very low103 Ų103141.2 Ų141.254%0.53974%0.744SS.*  trans86-114158.3-56.6110.6000125W746 A747 S748L350-W746 HydrophobicContact CB-CE3 3.84Å; L350-W746 HydrophobicContact CB-CZ3 4.35Å; L350-A747 CarbonylContact C-O 3.51Å; L350-A747 VanDerWaalsContact C-O 3.26Å; L350-A747 WeakPolarHBondContact CA-O 3.35Å; L350-A747 PolarHBondContact N-O 2.88Å; L350-A747 CarbonylContact O-C 3.59Å; L350-S748 WeakPolarHBondContact O-CA 3.43Å; L350-S748 PolarHBondContact O-N 3.04Å; L350-S748 PolarHBondContact O-OG 2.75Å
351Y30.6Very low34.7Very low150 Ų150141 Ų14159%0.58874%0.74SS**  trans65.3162-169.7-109.1-16.5000117.6W746 S748Y351-W746 HydrophobicContact CD1-CB 3.25Å; Y351-W746 HydrophobicContact CD1-CG 4.05Å; Y351-W746 HydrophobicContact CE1-CB 3.86Å; Y351-W746 HydrophobicContact CG-CB 3.67Å; Y351-S748 VanDerWaalsContact CB-OG 3.25Å; Y351-S748 WeakPolarHBondContact CB-OG 3.46Å
352S26Very low34.4Very low84 Ų84141.5 Ų141.559%0.58774%0.744SS**  cis-142.7132.4-12-169.60000110.4
353L36.9Very low34.7Very low170 Ų170139 Ų13989%0.8974%0.739SS**  trans-148.3107.2-178.8-80176000112.9
354I39Very low34.4Very low168 Ų168140.2 Ų140.286%0.86275%0.748SS**  trans-139.3137.8157.1-64.9-174.5000107.5
355T36.6Very low33.9Very low116 Ų116145.3 Ų145.371%0.71276%0.761SS**PPolyproline II helixtrans-83.2154.8-175.449.10000113.4Q357T355-Q357 PolarHBondContact O-N 2.99Å
356P35.3Very low34.2Very low130 Ų130145.5 Ų145.584%0.84477%0.766SS**PPolyproline II helixtrans-60.1133.8160.5-18.632.3000110.5
357Q32.6Very low33.9Very low173 Ų173143.5 Ų143.581%0.80876%0.76SS**PPolyproline II helixtrans-83.8161.1175.3-102.4-72.47.400111.9T355T355-Q357 PolarHBondContact O-N 2.99Å
358A32.9Very low34.3Very low77 Ų77141.1 Ų141.164%0.63676%0.761SS**PPolyproline II helixtrans-83.5169.8-170.800000114.2
359W32Very low34.7Very low250 Ų250136.3 Ų136.395%0.94775%0.753SS**  trans-115.2118.6161.8-55.6-50.8000110.2
360S32Very low34.5Very low113 Ų113140.7 Ų140.779%0.7977%0.772SS**  trans-143.1118.5162.752.20000108.5
361T28.5Very low34.5Very low123 Ų123142.4 Ų142.476%0.75579%0.786SS**  trans-112.7108.9-175-59.10000110.2
362T31.4Very low35Very low141 Ų141140.9 Ų140.987%0.86579%0.793SS**  trans-134.8131.4162.7-37.30000108.1
363H35.2Very low36Very low168 Ų168141.8 Ų141.878%0.77880%0.796SS**  trans-80.1143.9-174-77.6-116000112.7
364S27.8Very low35.7Very low122 Ų122143.7 Ų143.785%0.85380%0.798SS**  trans-156.7150.9138.3-85.90000112.4
365F35.4Very low35.4Very low198 Ų198143.6 Ų143.687%0.86879%0.794SS**  trans-29.6146.6176.1-94.4-122.7000118.6
366I36.9Very low35Very low173 Ų173144 Ų14489%0.88779%0.792SS**  -162.3165115.1-101.9159.4000111.1
367D32.9Very low35.1Very low127 Ų127144.6 Ų144.668%0.67979%0.788SS**  trans-91.3137.9-154.7-164.7-0.3000114.7A369D367-A369 VanDerWaalsContact C-N 3.25Å; D367-A369 PolarHBondContact O-N 2.94Å
368P41.5Very low35.1Very low127 Ų127143.9 Ų143.983%0.82578%0.784SS**SBendtrans-71.812.4-173.3-21.935.7000118.6L370P368-L370 PolarHBondContact O-N 2.97Å
369A41Very low35.3Very low76 Ų76149 Ų14963%0.62879%0.793SS**  trans-81.9-6.1-157.600000118D367D367-A369 VanDerWaalsContact C-N 3.25Å; D367-A369 PolarHBondContact O-N 2.94Å
370L39.4Very low35.5Very low165 Ų165144.1 Ų144.186%0.86478%0.783SS**  trans-128.649.5-162.4-68.2177.7000116.8P368P368-L370 PolarHBondContact O-N 2.97Å
371V41.1Very low35.6Very low139 Ų139145.9 Ų145.984%0.84278%0.784SS**  trans-133.9111.6153.8-177.20000109.6
372T41Very low35.6Very low119 Ų119144 Ų14473%0.7379%0.789SS**PPolyproline II helixtrans-85.4154.717841.50000112.4
373P45.4Very low35.6Very low102 Ų102146 Ų14666%0.66279%0.786SS**PPolyproline II helixtrans-88.9119.6-163.432.7-34.7000114.1H375P373-H375 PolarHBondContact O-ND1 3.44Å
374F31.8Very low35.5Very low210 Ų210144 Ų14492%0.92179%0.786SS**PPolyproline II helixtrans-76.9127.8162.7-85.4-79.7000111.2
375H32.3Very low35.9Very low167 Ų167144.6 Ų144.677%0.77378%0.784SS**PPolyproline II helixtrans-94.4131.2-179.4-6251000109.5P373P373-H375 PolarHBondContact O-ND1 3.44Å
376N28.3Very low35.8Very low125 Ų125139.2 Ų139.267%0.66877%0.772SS**  179.7146.5102.7-165.617.9000111.1Q378N376-Q378 PolarHBondContact ND2-NE2 2.8Å
377N36.9Very low35.6Very low142 Ų142139 Ų13976%0.75977%0.766SS**  trans-87.3136.8163-75.8-65.2000108.9
378Q34Very low35.4Very low157 Ų157137.3 Ų137.373%0.73477%0.765SS**  trans-152.496.1149.6-111.6138.548.400117.2N376N376-Q378 PolarHBondContact ND2-NE2 2.8Å
379F35.5Very low35.1Very low186 Ų186141.3 Ų141.382%0.81677%0.769SS**  76145.6128-88.4-107.7000123.4
380I37.4Very low34.9Very low147 Ų147146.9 Ų146.975%0.75478%0.779SS**  trans88.892.6155.4-64.9152.3000119.4
381N32.7Very low35.1Very low150 Ų150145.1 Ų145.180%0.80278%0.778SS**  31.3130.7123.6-80.4-0000121.7
382G30.1Very low34.6Very low84 Ų84142.7 Ų142.787%0.86677%0.772SS**  trans-150.2106.5152.400000110.5
383F31.3Very low34.1Very low182 Ų182144.2 Ų144.280%0.79878%0.782SS**  trans-111.5158.9-172.6-128.3-87.5000111
384T33Very low33.2Very low126 Ų126144.8 Ų144.877%0.77379%0.788SS**  trans70159.6175.780.50000114.8
385T36.4Very low33.6Very low134 Ų134140.2 Ų140.282%0.82278%0.78SS**  cis-123175.48.9470000113.2
386S32.8Very low33.7Very low86 Ų86140 Ų14060%0.60178%0.783SS**  trans-125.1-160.3177.773.50000110.8
387H32.7Very low33.9Very low167 Ų167140.3 Ų140.377%0.77379%0.79SS**  trans85.4136.9175.9-47.7-63.5000116
388S29.1Very low33.6Very low92 Ų92138.8 Ų138.864%0.64379%0.786SS**  cis-163132.4-10.6-102.90000111.6
389F34.8Very low33.5Very low211 Ų211140.4 Ų140.493%0.92579%0.785SS**  -170158.5122.2-115.8-88.3000108.8
390K36.9Very low33.2Very low193 Ų193140.7 Ų140.784%0.83979%0.789SS**  trans-126.3-169.5-173.3-45.5-173.6174.61800112.6
391P43.7Very low33Very low128 Ų128142.3 Ų142.383%0.83179%0.79SS**  -125.9175.3-119.932.3-8.8000114.8
392A29.4Very low32.9Very low88 Ų88140.2 Ų140.273%0.72779%0.788SS**  trans-151.3133.3170.300000115.5
393T30.4Very low33.2Very low152 Ų152142.6 Ų142.693%0.93379%0.788SS**  trans69.3156.5152.438.30000121.7
394S28.4Very low33.2Very low114 Ų114145.8 Ų145.880%0.79780%0.795SS**  trans-97.1157.3-164.3-149.10000112.6
395P40Very low33.4Very low114 Ų114147.1 Ų147.174%0.7480%0.797SS**  trans-90.1146.2-171.335.1-34.2000114
396L33Very low33.6Very low161 Ų161151.1 Ų151.184%0.84380%0.797SS**  trans-142.9135.8167.8-71.7175.9000111.1
397T32.4Very low33.8Very low133 Ų133152.2 Ų152.282%0.81680%0.796SS**  trans69.3130.4152.9-59.30000118.3
398V30.8Very low34Very low110 Ų110153 Ų15367%0.66780%0.8SS**  cis-153.2137.4-14.2119.80000110.5
399R31.8Very low34.1Very low191 Ų191153.3 Ų153.372%0.72180%0.802SS**  trans24.5115.5152.3-50.6172-173.5-176.31.9120F401R399-F401 HydrophobicContact CB-CE2 4.47Å
400H31Very low34.4Very low192 Ų192152.4 Ų152.489%0.88980%0.798SS**  trans-81.1147131-76.3-101.2000109.5
401F31.6Very low34.8Very low180 Ų180148.8 Ų148.879%0.78979%0.794SS**  trans-95.2125.7174.5-83.9-99.4000110.9R399R399-F401 HydrophobicContact CB-CE2 4.47Å
402S32.1Very low34.2Very low107 Ų107150.7 Ų150.775%0.74879%0.791SS**  trans-108.4149.8165.2-66.50000110.1
403P35.6Very low34.8Very low134 Ų134153.6 Ų153.687%0.8779%0.794SS**  trans-66.8151.3-17326.1-34.5000113.5
404R31.2Very low35Very low249 Ų249158.2 Ų158.294%0.9479%0.794SS**  trans-97.5116.2-165.6-175.8179.5-175.1133.4-4.1111.9
405N37.8Very low36.2Very low154 Ų154158.2 Ų158.282%0.82479%0.792SS**  trans-131.3114.2168.2-172.6-6.5000111.4
406R39.4Very low35.5Very low217 Ų217158.5 Ų158.582%0.81980%0.796SS**  trans-176.5148.1174.2-137.891.4178.9-166.6-5.1106.5
407N37.9Very low35.4Very low109 Ų109158.7 Ų158.758%0.58380%0.797SS**  cis-142.4170.416.6-112.9-36000108.1
408H35.8Very low36.4Very low184 Ų184157.1 Ų157.185%0.85279%0.789SS**  -148.1-178.658.9-87.6-89.2000114.1
409S31.9Very low36.3Very low99 Ų99158.5 Ų158.569%0.69280%0.797SS**  trans-131.8152-148.552.10000116
410K41.6Very low36.3Very low192 Ų192153.8 Ų153.884%0.83580%0.799SS**  trans-67.2169.9160.4-54.2-178.4176.71800110.9
411P45.6Very low36.2Very low117 Ų117150.6 Ų150.676%0.7679%0.789SS**  -111.3-154.561.241.8-38.6000112.3
412H31.1Very low36.4Very low167 Ų167152.4 Ų152.477%0.77379%0.79SS**  cis-150.3177.6-0.9-152.8-84.1000110.7
413L41.2Very low36.2Very low150 Ų150153 Ų15379%0.78580%0.795SS**  trans-146.7143.6172.3-72.8172.8000112.9
414R35.6Very low36.1Very low248 Ų248152.5 Ų152.594%0.93679%0.794SS**  179.1164.8126.4-99.2-150.2164.8177.2-3.4113.1
415P51.9Low36.2Very low115 Ų115143.9 Ų143.975%0.74778%0.783SS**  trans-125.5173-16043.6-31.4000116.9
416S26.1Very low36.1Very low119 Ų119143.7 Ų143.783%0.83278%0.781SS**  trans-154.5158.2158.358.10000112.7
417I31.5Very low36Very low166 Ų166137.6 Ų137.685%0.85176%0.764SS**  trans-131.2-175.11806.6172.4000107.7
418P52.2Low35.7Very low100 Ų100136 Ų13665%0.64976%0.756SS**  cis-135.9-152.6-6.328.3-1.6000113.6
419T28.5Very low35.6Very low138 Ų138129.1 Ų129.185%0.84773%0.728SS**  trans77.6150163.267.10000117.9
420A31.8Very low36.3Very low92 Ų92129.9 Ų129.976%0.7673%0.731SS**  cis-169-179.6-25.600000106
421D30Very low36Very low125 Ų125124.8 Ų124.867%0.66872%0.719SS**  cis-158.7175.88.5-164.57.4000109.9
422R36.3Very low35.4Very low219 Ų219127.6 Ų127.683%0.82673%0.727SS**  trans70.1100.3154.7-77.4153.6-159.4-117.5-11.3121.8
423S28.2Very low35.8Very low120 Ų120128 Ų12884%0.83973%0.727SS**  trans-83153.1149.5530000114.3
424S32.6Very low35.8Very low123 Ų123126.9 Ų126.986%0.8673%0.728SS**  trans177.9139.5144.1-161.30000106.9
425G32.5Very low35.5Very low68 Ų68118.3 Ų118.370%0.70172%0.718SS**  cis119.115446.300000108
426L36.5Very low34.5Very low149 Ų149123 Ų12378%0.7873%0.727SS**  cis-173.4135.85.4-173.467.9000112.6
427L37Very low34.6Very low89 Ų89122.3 Ų122.347%0.46673%0.728SS.*  trans65.9141.6150.1-68.3168.9000128.8E12 P13E12-L427 HydrophobicContact CB-CD2 3.57Å; E12-L427 HydrophobicContact CG-CD2 4.04Å; E12-L427 VanDerWaalsContact OE2-CD2 3.29Å; E12-L427 WeakPolarHBondContact OE2-CD2 3.46Å; P13-L427 HydrophobicContact CB-CD2 4.42Å
428D32.3Very low34.6Very low77 Ų77120 Ų12041%0.41273%0.727SS.*  trans98.1139.5134.1-94.536.2000127.9V10 A11V10-D428 PolarHBondContact N-O 3.29Å; V10-D428 CarbonylContact O-C 3.54Å; A11-D428 CarbonylContact O-C 3.55Å; A11-D428 VanDerWaalsContact O-C 3.28Å; A11-D428 VanDerWaalsContact O-CA 3.29Å; A11-D428 WeakPolarHBondContact O-CA 3.37Å
429S32.6Very low34Very low39 Ų39121.7 Ų121.727%0.27373%0.726SS.*  trans-133.7179.2-174.1-54.40000115.2V10 A11V10-S429 VanDerWaalsContact CA-OG 3.3Å; V10-S429 WeakPolarHBondContact CA-OG 3.39Å; A11-S429 VanDerWaalsContact C-OG 3.22Å; A11-S429 WeakPolarHBondContact CA-OG 3.32Å; A11-S429 PolarHBondContact N-OG 2.99Å; A11-S429 WeakPolarHBondContact O-CB 3.13Å; A11-S429 PolarHBondContact O-N 2.85Å; A11-S429 PolarHBondContact O-OG 3.21Å
430P47.7Very low34.3Very low114 Ų114124.1 Ų124.174%0.7472%0.719SS**  -126.5147.387.13.319.9000114.3
431S34.3Very low34.6Very low85 Ų85125.7 Ų125.759%0.59471%0.714SS**  57.7128.586.7-62.20000114.7
432L34Very low34.5Very low176 Ų176127 Ų12792%0.92172%0.721SS**  -134.6175.750.9-75161.8000115.4
433F38.2Very low34.2Very low175 Ų175119.7 Ų119.777%0.76871%0.714SS**  trans-126.1-178.8-159.8-86-94.5000112.9
434P42.3Very low34.2Very low127 Ų127120.4 Ų120.483%0.82571%0.713SS**  cis-128.1165.3-4.429.5-9.7000115.8
435G28.7Very low34.1Very low69 Ų69125.5 Ų125.571%0.71171%0.714SS**  trans146.831.915800000121.8
436F30.9Very low33.9Very low214 Ų214126.2 Ų126.294%0.93971%0.708SS**  trans37.7113.4166.5-71.3-78000120.5
437A29.2Very low33.5Very low103 Ų103124.4 Ų124.485%0.85171%0.708SS**  trans-90.2163.5172.300000114.1
438S30.6Very low34.4Very low118 Ų118125.7 Ų125.783%0.82572%0.721SS**  trans-151.278.5171.41710000110.9
439E39.1Very low34.6Very low135 Ų135128.2 Ų128.263%0.63174%0.742SS**  trans-145.1124.3-169.4-90.1-86.5111.300113
440R36.7Very low34.5Very low189 Ų189130.7 Ų130.771%0.71377%0.765SS**  trans62.5159.3144.9-45.6-63.5165.6132.47.7119.5
441L36.7Very low33.4Very low125 Ų125136.5 Ų136.565%0.65477%0.772SS**  cis-164.7145.4-25.5-104.4173.1000109.2
442N29.2Very low33.4Very low153 Ų153139.8 Ų139.882%0.81878%0.782SS**  trans54.4147.6155.7-57.8-20.8000121
443G28.5Very low33.6Very low66 Ų66137 Ų13768%0.6878%0.775SS**  cis161.6160.5-13.900000115.6
444V29.5Very low33Very low135 Ų135134 Ų13482%0.81878%0.775SS**  trans81146.8144.3172.90000120.9
445R30.6Very low32.4Very low229 Ų229133.5 Ų133.586%0.86478%0.775SS**  trans77141.4167.1-86171.7-175.1-80.63.7118.1
446S26.8Very low32.6Very low84 Ų84138.6 Ų138.659%0.58778%0.78SS**  cis-154152.8-6.8-55.50000114.1
447S29Very low33Very low110 Ų110134.4 Ų134.477%0.76977%0.774SS**  trans59.6145.3139.157.70000124.4
448P54.6Low33Very low116 Ų116139.8 Ų139.875%0.75377%0.773SS**  trans-92.1-179.317041.4-37.6000112.8
449P37.9Very low32.9Very low130 Ų130139.9 Ų139.984%0.84477%0.769SS**  -150-174100.541.2-24.9000115
450A30Very low32.3Very low92 Ų92144.4 Ų144.476%0.7678%0.78SS**  trans-127.7147.9173.600000112.3
451R25.2Very low32.2Very low236 Ų236143.1 Ų143.189%0.89179%0.786SS**  trans178.2133.3150.8-102.4162-172.5-156.62.2113.4
452L32.8Very low32.9Very low154 Ų154142.7 Ų142.781%0.80679%0.791SS**  29.2151.9123.4-60.2179000120.3
453P38.6Very low32.7Very low117 Ų117140.2 Ų140.276%0.7679%0.786SS**  cis-151.8177.136.344.5-24.2000120.3
454S25.4Very low32.7Very low111 Ų111143.5 Ų143.578%0.77679%0.793SS**  trans62.7110.4140.5-176.40000122.4
455S30Very low32.9Very low118 Ų118141.9 Ų141.983%0.82579%0.793SS**  -159.5147.5108.548.50000113.2
456Q34.2Very low32.7Very low176 Ų176135.7 Ų135.782%0.82279%0.791SS**  trans-139.4154.4167.5-78-164.8-16.700108.2
457P37.7Very low33.1Very low125 Ų125141.4 Ų141.481%0.81281%0.806SS**  -125.5139.792.82.120000112.3
458R29.7Very low34.1Very low217 Ų217142.3 Ų142.382%0.81981%0.809SS**  70.3114.872.8-157.2177.4-161.8124.63.1111.9
459T29.5Very low32.9Very low120 Ų120146.6 Ų146.674%0.73681%0.811SS**  -158.6144.480.831.80000118
460R26.6Very low32.7Very low229 Ų229152.3 Ų152.386%0.86482%0.815SS**  trans48.4109148.7-65.4178.4172.9-109.32.9119.8
461L33Very low32.6Very low162 Ų162153.2 Ų153.285%0.84881%0.807SS**  53.9147.963.2-62.7174.4000116.3
462P52.1Low32.9Very low117 Ų117146.8 Ų146.876%0.7680%0.804SS**  cis-145-140.9-40.743.4-23.5000112.1
463S25.7Very low32.8Very low101 Ų101144.7 Ų144.771%0.70681%0.809SS**  trans106.5145.6155.1-144.50000117.5
464T28.2Very low32.4Very low134 Ų134142.9 Ų142.982%0.82281%0.812SS**  cis-159.5165.7-37.530.10000108.2
465A33.3Very low32.6Very low101 Ų101144.8 Ų144.884%0.83582%0.819SS**  trans-89.2160.4171.100000113.6
466A26.6Very low32.6Very low99 Ų99142.3 Ų142.382%0.81881%0.813SS**  trans-163143.1155.200000112.8
467F34.5Very low32.4Very low204 Ų204145.5 Ų145.590%0.89582%0.817SS**  trans-92.3171.5157.6-70.4-96.5000109.7
468P49.5Very low32.1Very low130 Ų130145.8 Ų145.884%0.84482%0.816SS**  trans-127.4148.413436-28.6000113.6
469R29.8Very low32Very low206 Ų206141.8 Ų141.878%0.77782%0.816SS**  trans-90163.2167.1-68.1-175.8179.3-1242.9111.2D471R469-D471 IonicContact CZ-OD1 2.66Å; R469-D471 IonicContact NH1-OD1 2.96Å; R469-D471 PolarHBondContact NH1-OD1 3.49Å; R469-D471 IonicContact NH1-OD2 2.65Å
470R33.8Very low32.1Very low249 Ų249143.5 Ų143.594%0.9482%0.816SS**  -150136.7122.6-137.3174.9-161.3143.25.7111.7
471D28Very low32.9Very low112 Ų112137.5 Ų137.560%0.59981%0.806SS**  trans-98.8155.6-178.3-39.4-108.3000110.9R469R469-D471 IonicContact CZ-OD1 2.66Å; R469-D471 IonicContact NH1-OD1 2.96Å; R469-D471 PolarHBondContact NH1-OD1 3.49Å; R469-D471 IonicContact NH1-OD2 2.65Å
472A32.7Very low32.6Very low100 Ų100136.8 Ų136.883%0.82680%0.802SS**  trans-178134.3139.500000114.5
473A30.3Very low31.7Very low110 Ų110138.1 Ų138.191%0.90980%0.802SS**  trans59.1129.4153.800000121.5
474G29.2Very low32.8Very low80 Ų80138 Ų13883%0.82580%0.798SS**  trans154.971.8166.300000117
475T31.1Very low32.8Very low151 Ų151137.5 Ų137.593%0.92679%0.791SS**  trans-63.8150.1166.248.40000112
476G29Very low32.6Very low66 Ų66142.8 Ų142.868%0.6879%0.791SS**  cis158.6178.81.400000110.7
477R30.4Very low33Very low243 Ų243142.5 Ų142.592%0.91778%0.782SS**  trans74.2126-178.6-65.2175178.1152.40.2114.1
478V30.6Very low32.9Very low131 Ų131141.3 Ų141.379%0.79479%0.785SS**  71120.369.4169.30000110.3
479T29Very low32Very low132 Ų132138.8 Ų138.881%0.8178%0.782SS**  cis-147.9166.923.7-23.70000113.7
480E31.1Very low32.2Very low157 Ų157136.4 Ų136.473%0.73479%0.79SS**  trans-73175152.3-124.3-141.810700110.3L482E480-L482 PolarHBondContact OE1-N 2.81Å
481P42.6Very low32.3Very low103 Ų103127.7 Ų127.767%0.66978%0.777SS**  cis-147.1-176.731.642.1-20.1000119.5
482L27Very low32.8Very low146 Ų146134.7 Ų134.776%0.76480%0.796SS**  trans107.3122.6138.4-124.682.2000121.2E480E480-L482 PolarHBondContact OE1-N 2.81Å
483I33.1Very low32.9Very low146 Ų146133.8 Ų133.875%0.74980%0.796SS**  trans-86165.7160.5-75.1162.2000108.1
484P49.5Very low33.6Very low97 Ų97140.6 Ų140.663%0.6380%0.798SS**  cis-129.5-178.6922.24.9000114.8
485D27.6Very low34.1Very low125 Ų125147.1 Ų147.167%0.66880%0.804SS**  158.1147.794.3-118.8-34.4000117.8
486Y29.2Very low34.4Very low212 Ų212149.7 Ų149.783%0.83180%0.802SS**  trans49.5179.2168.7101.4-80.4000121.5
487S35.2Very low34.7Very low92 Ų92156.8 Ų156.864%0.64381%0.808SS**  trans-151.2172-157-71.20000114.4
488L33.3Very low34.8Very low180 Ų180150.1 Ų150.194%0.94279%0.791SS**  trans76.5130.8171.2-55170.7000116.1
489G30.6Very low34.9Very low77 Ų77150.8 Ų150.879%0.79479%0.786SS**  trans153.316.4173.700000119.2G491G489-G491 PolarHBondContact O-N 3.21Å
490V32.9Very low35.1Very low156 Ų156151.1 Ų151.195%0.94578%0.776SS**  trans-72.895.8179.3-176.40000110.8
491G35.6Very low35.1Very low65 Ų65153.6 Ų153.667%0.6778%0.784SS**  trans-72.9177.4178.700000115G489G489-G491 PolarHBondContact O-N 3.21Å
492R38.9Very low34.8Very low259 Ų259155 Ų15598%0.97779%0.791SS**  trans-76.9153.5179.6-55.5178.3-178.6-165.50.5111.9
493G35.2Very low34.9Very low81 Ų81160.1 Ų160.184%0.83580%0.8SS**  trans123.7146.4152.100000115.9
494R45.1Very low34.9Very low254 Ų254157.6 Ų157.696%0.95880%0.801SS**  trans-103.9138.4178.6-63.6173.4175169.2-3.2110.8
495K38.2Very low34.1Very low217 Ų217159.5 Ų159.594%0.94381%0.812SS**  trans-143.8166.3150.8-141167.7-176.6176.20110.3
496K38.8Very low34.6Very low205 Ų205159.5 Ų159.589%0.89182%0.818SS**  trans-132.5170.6-158.7-174.6-175.9174.6-170.70110.9
497R35.6Very low34.7Very low214 Ų214158.7 Ų158.781%0.80882%0.822SS**  trans91.7143.1179.3-114.3-170.8-88144.6-9.7113
498D31.3Very low34.8Very low103 Ų103159.3 Ų159.355%0.55183%0.827SS**  cis-108.9156.7-2.1-96.6-119.4000110.1K500D498-K500 IonicContact OD1-NZ 3.97Å; D498-K500 PolarHBondContact OD1-NZ 3.22Å
499E32.7Very low35.5Very low146 Ų146156.5 Ų156.568%0.68282%0.819SS**  44.5140.179.5-41.7-173.8-175.300113.8
500K33.2Very low36.6Very low139 Ų139158.3 Ų158.360%0.60482%0.817SS**  cis-149.414317.7-12.9-154166-70.60107.3D498D498-K500 IonicContact OD1-NZ 3.97Å; D498-K500 PolarHBondContact OD1-NZ 3.22Å
501F31.8Very low37.6Very low209 Ų209156.4 Ų156.492%0.91781%0.808SS**  -165.3155.895.2-104.1-79.7000112.9
502T36Very low38.7Very low133 Ų133158.8 Ų158.882%0.81681%0.811SS**  trans-83.5142.2-168.349.30000116.8
503R28.7Very low39.5Very low252 Ų252152.4 Ų152.495%0.95180%0.804SS**  -161.5153.4120.4-160.7161.8-177.8152.20.1110.1
504A32.9Very low40.1Very low93 Ų93158 Ų15877%0.76981%0.805SS**  trans-135.7149.6-173.300000114
505T32.7Very low40.4Very low138 Ų138151.3 Ų151.385%0.84779%0.794SS**  trans-152.1157.3165.18.50000108.1
506P38.5Very low40.8Very low125 Ų125146.9 Ų146.981%0.81279%0.787SS**PPolyproline II helixtrans-83.2164.3-151.331.7-37.3000116.6
507Q31.4Very low40.9Very low194 Ų194142.6 Ų142.691%0.90778%0.784SS**PPolyproline II helixtrans-92.8146.7-178.4-63.5172-31.200112.7
508S38.1Very low41.4Very low106 Ų106137.6 Ų137.674%0.74178%0.779SS**PPolyproline II helixtrans-91.7154.8150.151.30000109.7
509P48.3Very low41.8Very low120 Ų120137.7 Ų137.778%0.77979%0.788SS**PPolyproline II helixtrans-71.4147.9-170.327.4-35.2000113.5
510P52.9Low42.4Very low116 Ų116139.6 Ų139.675%0.75379%0.794SS**PPolyproline II helixtrans-73157.6174.931.8-35.6000112.4
511P53.8Low43.3Very low115 Ų115141.5 Ų141.575%0.74781%0.805SS**PPolyproline II helixtrans-69.1157.3178.130-36.1000112.7
512P59.7Low44.3Very low116 Ų116138 Ų13875%0.75380%0.795SS**PPolyproline II helixtrans-65.2151.5-179.827.5-35.5000112.7
513P55.1Low45.2Very low125 Ų125133.6 Ų133.681%0.81278%0.777SS**PPolyproline II helixtrans-67.5148177.829.1-35000111.8
514K47.3Very low46.4Very low199 Ų199130.2 Ų130.287%0.86578%0.776SS**PPolyproline II helixtrans-71.2145.1172.4-65.6-178.7178.8-178.30110.5
515P50.4Low47.5Very low113 Ų113131.4 Ų131.473%0.73478%0.779SS**PPolyproline II helixtrans-66.2154.9170.530.1-35.4000111.2
516P48.5Very low48.5Very low123 Ų123128.3 Ų128.380%0.79976%0.763SS**PPolyproline II helixtrans-68.3155.4170.130.8-35000111.5
517S39.6Very low49.4Very low116 Ų116131 Ų13181%0.81176%0.762SS**PPolyproline II helixtrans-63145.2173.6-52.90000111.5
518P46.1Very low50.9Low108 Ų108126.7 Ų126.770%0.70175%0.751SS**PPolyproline II helixtrans-71.3142.1-176.729.4-35.5000112.9
519S40.1Very low51.6Low106 Ų106127.5 Ų127.574%0.74175%0.754SS**PPolyproline II helixtrans-83.4120.9169.849.10000110.8E521S519-E521 PolarHBondContact O-N 2.98Å; S519-E521 VanDerWaalsContact O-N 3.1Å
520F46Very low51.5Low186 Ų186128.9 Ų128.982%0.81675%0.754SS**  trans-82.576.4173.7-77.6-86.3000111.5
521E51.3Low50.9Low178 Ų178129.9 Ų129.983%0.83276%0.76SS**  trans-96.898162.2-71.4-167.3-175.700109.5S519 G523S519-E521 PolarHBondContact O-N 2.98Å; S519-E521 VanDerWaalsContact O-N 3.1Å; E521-G523 VanDerWaalsContact C-N 3.26Å; E521-G523 PolarHBondContact O-N 3.47Å
522L52.4Low50.9Low135 Ų135128 Ų12871%0.70776%0.762SS**  trans-77.775.7176.3-72.5170.6000110.5
523G56Low50.1Low42 Ų42127.1 Ų127.143%0.43376%0.764SS.*  trans-57.9147.4164.700000111E521 S525 S526E521-G523 VanDerWaalsContact C-N 3.26Å; E521-G523 PolarHBondContact O-N 3.47Å; G523-S525 PolarHBondContact O-N 3.05Å; G523-S526 VanDerWaalsContact O-CB 3.32Å; G523-S526 WeakPolarHBondContact O-CB 3.41Å; G523-S526 PolarHBondContact O-N 2.86Å
524L53.9Low49.7Very low181 Ų181126 Ų12695%0.94877%0.766SS**THydrogen-bonded Turntrans-62.5-6.6-173.8-65173.9000114.8
525S55.7Low49.5Very low118 Ų118120.1 Ų120.183%0.82576%0.762SS**THydrogen-bonded Turntrans-870.3170.955.10000114.7G523 F527G523-S525 PolarHBondContact O-N 3.05Å; S525-F527 VanDerWaalsContact C-N 3.3Å; S525-F527 PolarHBondContact O-N 3.07Å
526S53.7Low48.9Very low73 Ų73123.6 Ų123.651%0.5177%0.768SS.*  trans-83.24.8-176.3-167.20000114.9G523G523-S526 VanDerWaalsContact O-CB 3.32Å; G523-S526 WeakPolarHBondContact O-CB 3.41Å; G523-S526 PolarHBondContact O-N 2.86Å
527F57.4Low48.2Very low180 Ų180125.8 Ų125.879%0.78977%0.772SS**SBendtrans-94.7130.1172.2-85.1-91.5000111.1S525S525-F527 VanDerWaalsContact C-N 3.3Å; S525-F527 PolarHBondContact O-N 3.07Å
528P62.5Low47.9Very low105 Ų105129.8 Ų129.868%0.68278%0.775SS**PPolyproline II helixtrans-69.4141170.130.1-33.6000110.3
529P52.6Low47.4Very low123 Ų123128.5 Ų128.580%0.79977%0.773SS**PPolyproline II helixtrans-65.7137.7177.127.4-34.2000111.1
530L46.1Very low47Very low148 Ų148131 Ų13178%0.77578%0.778SS**PPolyproline II helixtrans-68.7136.6-179.1-65.9174.3000111.6G532L530-G532 PolarHBondContact O-N 2.65Å; L530-G532 VanDerWaalsContact O-N 3.13Å
531P40.6Very low46.1Very low137 Ų137130.2 Ų130.289%0.8978%0.777SS**THydrogen-bonded Turntrans-60.7115.3170.3-20.832.7000110.7
532G53.3Low45.8Very low76 Ų76125.5 Ų125.578%0.78477%0.769SS**THydrogen-bonded Turntrans134.9-19178.200000115.1L530 A534L530-G532 PolarHBondContact O-N 2.65Å; L530-G532 VanDerWaalsContact O-N 3.13Å; G532-A534 PolarHBondContact O-N 2.74Å
533A44.4Very low44.8Very low97 Ų97128.6 Ų128.680%0.80278%0.777SS**  trans-78.860.1-178.400000113.8
534A45.8Very low43.7Very low102 Ų102132 Ų13284%0.84379%0.786SS**  trans-138.778175.700000109.9G532G532-A534 PolarHBondContact O-N 2.74Å
535G43.6Very low42.6Very low75 Ų75127.5 Ų127.577%0.77377%0.769SS**  trans-143.3-19.2-158.300000119.9
536Q36.9Very low41.7Very low187 Ų187130.7 Ų130.787%0.87476%0.763SS**  trans-175.6137.1161-112.6-177.519.200112.2
537L34.4Very low41Very low168 Ų168135 Ų13588%0.8878%0.779SS**  trans-142.7103.4160.1-81-179.1000109.9
538K32.2Very low39.6Very low201 Ų201131 Ų13187%0.87478%0.779SS**  trans-147.1143.2154.6-66.4-62.6175.8-178.60107.1
539A35.7Very low38.1Very low80 Ų80131.6 Ų131.666%0.66179%0.786SS**  cis16298.2-26.300000104.3
540D31.5Very low36.9Very low158 Ų158131.4 Ų131.485%0.84579%0.788SS**  trans-172.7151.5163.9-93.6-28.5000107
541E28.2Very low36.3Very low170 Ų170130.5 Ų130.579%0.79479%0.788SS**  cis-138.6162-18.9-158.8-179153.500106.9
542A44Very low35.8Very low80 Ų80130.8 Ų130.866%0.66179%0.787SS**  trans-86.2155.4-178.800000112
543F32.2Very low34.8Very low199 Ų199135.2 Ų135.287%0.87379%0.792SS**  -152.5132.6129.2-108.7-69.4000113.5
544D33.9Very low34Very low115 Ų115134.1 Ų134.162%0.61579%0.79SS**  trans-38.5151.8159.9-99.8-53.8000114.4R546D544-R546 IonicContact OD1-CZ 3.99Å; D544-R546 IonicContact OD1-NE 2.99Å; D544-R546 IonicContact OD1-NH2 3.83Å; D544-R546 PolarHBondContact OD1-NH2 3.2Å; D544-R546 IonicContact OD2-NH2 2.85Å; D544-R546 PolarHBondContact OD2-NH2 3.1Å
545S30.8Very low34.1Very low86 Ų86134.8 Ų134.860%0.60179%0.786SS**  cis-175.8-161.21.5-139.30000109.5
546R35.5Very low33.3Very low185 Ų185138 Ų13870%0.69879%0.791SS**  cis-142.4-103.94.3-155.9133.7-86.4-177.1-3.7113.8D544D544-R546 IonicContact OD1-CZ 3.99Å; D544-R546 IonicContact OD1-NE 2.99Å; D544-R546 IonicContact OD1-NH2 3.83Å; D544-R546 PolarHBondContact OD1-NH2 3.2Å; D544-R546 IonicContact OD2-NH2 2.85Å; D544-R546 PolarHBondContact OD2-NH2 3.1Å
547L38.5Very low33.5Very low162 Ų162137.2 Ų137.285%0.84879%0.785SS**  trans-152.9170.6-163.4-57.5172.3000107.1
548A28.6Very low33.2Very low96 Ų96136.5 Ų136.579%0.79378%0.776SS**  cis-152.5-1771900000113.1
549S30.5Very low33.2Very low118 Ų118138.2 Ų138.283%0.82578%0.778SS**  trans-80.7164.4-177.950.20000115.1
550S27.4Very low32.7Very low119 Ų119140.2 Ų140.283%0.83278%0.782SS**  trans-150.5141.7156.3-171.90000111.7
551V33.2Very low32.6Very low130 Ų130138.6 Ų138.679%0.78878%0.777SS**  trans-138.7147.8174175.30000106.5
552V30.4Very low32.7Very low142 Ų142137.5 Ų137.586%0.86178%0.777SS**  trans149.9164153.7162.80000110.8
553L33.3Very low32.7Very low169 Ų169139.9 Ų139.989%0.88579%0.785SS**  trans-100.3139.9-158.7-69.3152.7000115.6
554G27.6Very low32.7Very low75 Ų75137.4 Ų137.477%0.77378%0.781SS**  trans74.4-173150.600000117.7
555P47.1Very low33.7Very low116 Ų116137 Ų13775%0.75379%0.785SS**  cis-134.7-165-9.632-9.3000113.7
556T27.6Very low33.8Very low142 Ų142138.2 Ų138.287%0.87179%0.793SS**  trans79.9-179.1163.473.10000119.3
557K40.1Very low33.6Very low171 Ų171133.4 Ų133.474%0.74380%0.802SS**  trans-160.9165.7-147.7-179.3-152.4163.9-154.20108.2
558E29.2Very low33.1Very low152 Ų152129.4 Ų129.471%0.7180%0.8SS**  trans89.2159.1161.8-47.6-173.2172.700118.6
559R31.2Very low33Very low238 Ų238129.9 Ų129.990%0.89880%0.803SS**  trans79.1135.8168.1-146.9171.6-171.2128.65.5116.6
560T25.5Very low33Very low121 Ų121130.8 Ų130.874%0.74280%0.804SS**  cis-159.8162.2-21.8-97.60000110.9
561V30.5Very low34.8Very low124 Ų124130.4 Ų130.475%0.75280%0.799SS**  trans-28.4147.6168.2-174.50000118.5
562N30.4Very low35.7Very low147 Ų147130.1 Ų130.179%0.78680%0.799SS**  trans-41.5160.1167.2-50.1-17.2000117.3
563P42.6Very low35.5Very low130 Ų130128.5 Ų128.584%0.84480%0.801SS**  trans-102148.2141.536-27.5000112.8
564D33.4Very low35.3Very low147 Ų147123.9 Ų123.979%0.78679%0.794SS**  trans-118.9161.2164.1177.340.1000107.2
565P53.6Low36.2Very low106 Ų106126.3 Ų126.369%0.68880%0.796SS**  -156.3147.3110.436.5-16.9000119.3
566S33.6Very low35.4Very low112 Ų112129.5 Ų129.578%0.78380%0.798SS**  trans77.1142.6138.972.40000120.9
567G30.7Very low35.5Very low85 Ų85130.7 Ų130.788%0.87679%0.794SS**  cis157.3155.4-12.300000114.7
568G27.8Very low36.2Very low78 Ų78128 Ų12880%0.80479%0.794SS**  trans145120.7159.300000121.2
569A27.1Very low36.1Very low105 Ų105128.5 Ų128.587%0.86880%0.801SS**  trans65.7171.9146.900000122.4
570V31.7Very low36Very low137 Ų137128.2 Ų128.283%0.8380%0.8SS**  trans-145.3-169.3-159.7-144.40000112.2
571P63.9Low36Very low112 Ų112128.1 Ų128.173%0.72780%0.804SS**  -110-164.6-117.644.6-26.7000114.8
572P52.3Low35.9Very low123 Ų123127.9 Ų127.980%0.79981%0.808SS**  -151.8-17783.741.3-21.7000117.4
573A27Very low35.8Very low109 Ų109126 Ų12690%0.90181%0.812SS**  trans87.3130.2162.500000120.8
574G28.1Very low35.6Very low72 Ų72124.4 Ų124.474%0.74280%0.804SS**  trans-135.5-145.4164.500000108.6
575P47.5Very low35.6Very low126 Ų126123.5 Ų123.582%0.81881%0.807SS**  cis-137.9-157.64.143.2-23.7000114.1
576K29.9Very low34.9Very low182 Ų182125.7 Ų125.779%0.79181%0.812SS**  trans95.2138.8172.8-63.1-170.9175.5-172.90117
577E28.6Very low36Very low168 Ų168125.5 Ų125.579%0.78581%0.808SS**  cis-160.2142.9-25.6-151.4164.1149.300109.8
578P54.7Low36.3Very low115 Ų115126.9 Ų126.975%0.74780%0.802SS**  trans-117.8160.3-175.540.9-32.2000115.4
579L28.2Very low36.4Very low162 Ų162127.6 Ų127.685%0.84879%0.794SS**  trans-168.4137.4153.7-95.9144.7000107.4
580R29Very low36.4Very low231 Ų231132.6 Ų132.687%0.87280%0.797SS**  cis75.792.934.3-91-167.7176.9-175.31.2116.9
581S26.4Very low36.7Very low120 Ų120133.7 Ų133.784%0.83979%0.793SS**  trans-178145.7134.9-77.50000108.3
582S27.4Very low35.2Very low119 Ų119134 Ų13483%0.83280%0.795SS**  cis83.569.824.5-167.80000116.1
583A27.8Very low33.9Very low106 Ų106132.8 Ų132.888%0.87679%0.789SS**  trans-157143.8151.800000111.5
584S39.1Very low35.2Very low97 Ų97132.4 Ų132.468%0.67878%0.778SS**  trans-131.3145.6160.4-178.80000107.2
585P33.6Very low35.3Very low128 Ų128134.3 Ų134.383%0.83178%0.78SS**  -139.4165.3110.935.4-22000114.8
586L38.4Very low34.4Very low152 Ų152132.9 Ų132.980%0.79678%0.778SS**  trans-122.8175.3179-84164.1000109.7
587P57.5Low35.3Very low109 Ų109129.8 Ų129.871%0.70878%0.777SS**  cis-98.6-89.5-3.614.47.1000113.6
588P36.3Very low35.3Very low114 Ų114128.4 Ų128.474%0.7478%0.78SS**  cis-104.7-176.5-0.242-34.3000114.4
589S29.8Very low34.4Very low93 Ų93126.9 Ų126.965%0.6578%0.777SS**  trans-157.4147.8164.9171.20000109.4
590F27.2Very low35.9Very low209 Ų209124.1 Ų124.192%0.91777%0.769SS**  trans-147.5109.3159-79.5-62.6000113.8
591Q38Very low37Very low161 Ų161119.4 Ų119.475%0.75277%0.768SS**  trans-101.1152.3150.6-177-171.2-1.100107.3
592P32.6Very low37.2Very low118 Ų118119.7 Ų119.777%0.76677%0.765SS**  trans-145.9169134.538.1-23.5000115.6
593S25Very low37.2Very low98 Ų98119.4 Ų119.469%0.68576%0.763SS**  trans-104.6-168.5163.6-54.50000108.8
594P54.3Low37.2Very low101 Ų101120 Ų12066%0.65676%0.756SS**  trans-89.3162.9-151.236.3-40.3000118.7
595S29.1Very low36.8Very low112 Ų112123.1 Ų123.178%0.78376%0.764SS**  trans91131.1144.8-66.10000123.6
596A28.4Very low36.4Very low96 Ų96123.3 Ų123.379%0.79376%0.763SS**  trans88.1167.7147.800000118.9
597P50.1Low36.9Very low116 Ų116122 Ų12275%0.75376%0.764SS**  -140.3-179.5-111.938.1-16.1000117.9
598T27.8Very low35.4Very low139 Ų139119.8 Ų119.885%0.85376%0.761SS**  trans133.7146.9145.5-52.30000115.1
599A35.4Very low35.3Very low84 Ų84120.9 Ų120.969%0.69477%0.766SS**  trans-111.8-150.3-167.500000112.3
600P59.7Low36.1Very low103 Ų103122 Ų12267%0.66977%0.77SS**  cis-128.4-175.4-3739.4-25.2000113
601P52.9Low36.1Very low132 Ų132119.5 Ų119.586%0.85777%0.766SS**  -126.4176.7118.237.7-32.6000113.2
602T30.6Very low35.8Very low126 Ų126117.4 Ų117.477%0.77377%0.769SS**  trans-145.6131.6-169.1-46.50000114.7
603S28.3Very low36.7Very low114 Ų114117.8 Ų117.880%0.79777%0.772SS**  trans-172.8135.4165-81.30000110.5
604T27.9Very low36.8Very low117 Ų117117.3 Ų117.372%0.71877%0.774SS**  cis-158163.6-13.6-46.60000109.6
605L29.1Very low36.7Very low163 Ų163117.9 Ų117.985%0.85378%0.778SS**  trans92129.3164.4-56.3177.4000119.4
606T26.4Very low36.6Very low133 Ų133117.9 Ų117.982%0.81678%0.777SS**  trans-136.7-164.7-177.655.20000106.5
607P48.2Very low36.7Very low124 Ų124117.6 Ų117.681%0.80578%0.775SS**  cis-130.9-178.80.141.5-22.6000114.8
608G25.7Very low35.7Very low63 Ų63117 Ų11765%0.64977%0.774SS**  cis167.6179.9-8.400000113.8
609T34.6Very low35.9Very low137 Ų137117.7 Ų117.784%0.8477%0.771SS**  trans27.7154.3150.7380000123.8
610P47.9Very low35.5Very low115 Ų115121.2 Ų121.275%0.74777%0.773SS**  cis-136.9-168.4-2.438.3-17.3000115.3
611L26.8Very low34.3Very low157 Ų157122 Ų12282%0.82278%0.777SS**  trans-75.8168169.5-54.377.8000112.7
612S31.8Very low33.1Very low117 Ų117125 Ų12582%0.81878%0.776SS**  -177.9-165.3121.3-66.30000110.2
613P50Low33.1Very low126 Ų126123.7 Ų123.782%0.81878%0.777SS**  -129.1-170.4-124.131.5-4.6000116.2
614A29.1Very low33.2Very low89 Ų89122.5 Ų122.574%0.73678%0.775SS**  trans-70.4173.2167.200000112.2
615P50.7Low33.1Very low113 Ų113125.3 Ų125.373%0.73478%0.78SS**  cis-143.4-16814.842-20.6000117.5
616S27Very low32.9Very low111 Ų111123.3 Ų123.378%0.77678%0.775SS**  trans88.8118.8149-63.10000123.6
617A30.9Very low33Very low91 Ų91126.1 Ų126.175%0.75278%0.775SS**  78.4123.2126.500000124.8
618S29.2Very low32Very low104 Ų104124.6 Ų124.673%0.72777%0.774SS**  86.5131.1124.1-77.90000125.1
619L33.1Very low32.1Very low152 Ų152125.8 Ų125.880%0.79678%0.777SS**  trans72154.5144.8-60.5168.7000119.5
620E26.3Very low31.6Very low158 Ų158128.6 Ų128.674%0.73878%0.781SS**  cis-163.5137.2-24-174.2-177.3141.200112.2
621V33.8Very low30.6Very low121 Ų121127.8 Ų127.873%0.73378%0.784SS**  trans26.8135.2152.1-1760000122.9
622K28.3Very low30.5Very low195 Ų195130 Ų13085%0.84879%0.787SS**  167.9135.6106.4-149.4160-173.91740118.2
623A30.1Very low30.8Very low97 Ų97130.1 Ų130.180%0.80279%0.785SS**  trans59.4163.3150.800000122.5
624A30.9Very low29.8Very low90 Ų90131.9 Ų131.974%0.74478%0.779SS**  cis-171.4151.2-3400000114.2
625E25.3Very low29.6Very low176 Ų176134.9 Ų134.982%0.82278%0.778SS**  trans73.6147144.8-128.1-172.7123.900126.7
626T25.3Very low28.5Very low121 Ų121133.2 Ų133.274%0.74277%0.774SS**  trans76162.6159.870.50000122.1
627K27.6Very low28.4Very low191 Ų191135.5 Ų135.583%0.8378%0.776SS**  cis-175.4141.8-47.8-176.3-179.8174.8-1750111.2
628A28.8Very low29Very low93 Ų93136.6 Ų136.677%0.76978%0.776SS**  trans64.7169.6159.900000119.2
629A27.6Very low28.9Very low88 Ų88136.9 Ų136.973%0.72778%0.778SS**  cis-169.7161.2-36.700000111.9
630E23.1Very low28.9Very low196 Ų196135.4 Ų135.492%0.91678%0.775SS**  trans51134.3144.6-163.7173.9149.700123.4
631A26.8Very low28.9Very low98 Ų98134.3 Ų134.381%0.8177%0.77SS**  trans165.6158.9131.600000114.8
632K25.5Very low28.8Very low203 Ų203136.9 Ų136.988%0.88377%0.767SS**  trans-100.2155.5-174.7-94.7-178.7178.8172.10115.5
633P37.1Very low29Very low119 Ų119133.1 Ų133.177%0.77376%0.759SS**  trans-106.4-176.7145.140.1-31.4000112.4
634K29.9Very low29.8Very low163 Ų163134.6 Ų134.671%0.70976%0.761SS**  trans-162141.8-174.2-152.3-179172.4-1160114.5
635E24Very low29.7Very low153 Ų153133.4 Ų133.472%0.71576%0.758SS**  trans62.2160.6156.2-76.8156.9164.900120.2
636A27.8Very low29.8Very low77 Ų77131.4 Ų131.464%0.63676%0.757SS**  cis-165.8146.9-21.100000113.3
637L25Very low30.4Very low159 Ų159134.2 Ų134.283%0.83277%0.767SS**  trans47.4144.3142.2-63.4171.1000120.9
638P44.1Very low30.4Very low115 Ų115130.7 Ų130.775%0.74777%0.766SS**  cis-87.3-148.221.5-15.437000116.7
639S27.3Very low30.6Very low110 Ų110132.7 Ų132.777%0.76977%0.769SS**  cis-157.6174.131-55.20000114.7
640V32.3Very low30.8Very low121 Ų121133.3 Ų133.373%0.73377%0.774SS**  trans-138.9147.2-177.6163.40000106.5
641E25.6Very low31.4Very low134 Ų134129.6 Ų129.663%0.62677%0.77SS**  cis-132.8162.210.2-136.1153.899.800109
642R32.9Very low31.7Very low176 Ų176134.9 Ų134.966%0.66478%0.775SS**  cis75.6131.525.5176.4-92.6-69.9154.714.4115.1
643V32Very low32.1Very low115 Ų115130.2 Ų130.270%0.69777%0.768SS**  cis-152.4132.2-34.664.50000110.9
644P46.8Very low31.7Very low128 Ų128130.9 Ų130.983%0.83177%0.77SS**  trans-123163.7146.937.5-28.7000110.5
645G28Very low31.9Very low66 Ų66132.2 Ų132.268%0.6878%0.778SS**  cis-152.557.7-1400000110.1
646T29.1Very low32.1Very low133 Ų133131.2 Ų131.282%0.81678%0.782SS**  trans4999.6154.755.80000121
647L36.5Very low32.7Very low180 Ų180135.7 Ų135.794%0.94280%0.795SS**  -84.8163.9129.1-72.7167.1000108.9
648S28.1Very low33.1Very low117 Ų117131.4 Ų131.482%0.81879%0.79SS**  trans-156.3138.5161.4-160.60000114.6
649T32.2Very low32.9Very low135 Ų135131.2 Ų131.283%0.82880%0.798SS**  trans-145169.2168.454.80000109.2
650A32.1Very low33.2Very low101 Ų101130.7 Ų130.784%0.83580%0.801SS**  trans80.4165.5174.900000117.6
651S36.3Very low33.7Very low119 Ų119131.4 Ų131.483%0.83281%0.805SS**  trans-129.4149.6-152.9-300000112.6
652K34.1Very low34.4Very low208 Ų208133.8 Ų133.890%0.90482%0.816SS**  trans-157.1159.3146.7-130.9171.4-176.1174.70114.7
653S32.7Very low35.5Very low105 Ų105133.8 Ų133.873%0.73483%0.829SS**  trans-82.7145.7-176.9540000114.2
654V28.5Very low36.8Very low134 Ų134138.8 Ų138.881%0.81284%0.835SS**  trans-131.4142154.6176.20000108
655Q34.7Very low37.4Very low191 Ų191141.9 Ų141.989%0.89384%0.836SS**  trans-80.7126.5175.4-69176.9-12.600110.7
656V28.9Very low39.4Very low131 Ų131142.1 Ų142.179%0.79483%0.825SS**  trans-136.5133159.4177.20000107.4G658V656-G658 PolarHBondContact O-N 2.88Å
657N38.8Very low41.1Very low171 Ų171139 Ų13991%0.91481%0.809SS**  trans-73.7115.2176.4-68.5-39.5000109.8
658G35.1Very low42.1Very low70 Ų70139.4 Ų139.472%0.72280%0.799SS**  trans-171.2127.6175.200000110.4V656 A660V656-G658 PolarHBondContact O-N 2.88Å; G658-A660 PolarHBondContact O-N 2.78Å
659A39.5Very low44Very low111 Ų111136.5 Ų136.592%0.91778%0.782SS**  trans-78124.6-175.700000111.5
660A32.8Very low45.8Very low99 Ų99133.8 Ų133.882%0.81876%0.76SS**  trans-136.292.316800000108.7G658 E662G658-A660 PolarHBondContact O-N 2.78Å; A660-E662 PolarHBondContact O-N 3.06Å
661T43Very low47.9Very low136 Ų136133.4 Ų133.483%0.83474%0.743SS**  trans-73.4122.7172.644.70000110
662E39.4Very low49.5Very low183 Ų183130.8 Ų130.886%0.85572%0.724SS**  trans-47.6148.8164.9-172.2-179.5-17600111.7A660 R664A660-E662 PolarHBondContact O-N 3.06Å; E662-R664 PolarHBondContact O-N 3.35Å
663L56Low51.3Low177 Ų177127.1 Ų127.193%0.92771%0.71SS**  trans-73.162.3-172.3-74.7172000113.9
664R61.2Low52.6Low219 Ų219131.1 Ų131.183%0.82671%0.709SS**PPolyproline II helixtrans-65.5130.8163.9-166.6-178-172.793.90.4109E662E662-R664 PolarHBondContact O-N 3.35Å
665K58.3Low53.8Low194 Ų194128.9 Ų128.984%0.84370%0.704SS**PPolyproline II helixtrans-58.1122.3169-63.2177.2-177.51770108.1
666P70.8Confident55Low71 Ų71128.2 Ų128.246%0.46170%0.698SS.*PPolyproline II helixtrans-64.5140.2-17425.2-33.7000110.8E670 I671P666-E670 HydrophobicContact CB-CB 4.4Å; P666-I671 HydrophobicContact CB-CG1 4.14Å; P666-I671 HydrophobicContact CG-CD1 4.23Å; P666-I671 HydrophobicContact CG-CG1 4.07Å
667S63.3Low56Low67 Ų67128.4 Ų128.447%0.46970%0.695SS.*PPolyproline II helixtrans-63.9148.3172.7-176.60000110.3A669 E670 I671S667-A669 PolarHBondContact O-N 3.47Å; S667-A669 VanDerWaalsContact O-N 3.1Å; S667-E670 VanDerWaalsContact CB-OE2 3.31Å; S667-E670 WeakPolarHBondContact CB-OE2 3.31Å; S667-E670 PolarHBondContact N-OE2 3.33Å; S667-E670 WeakPolarHBondContact O-CB 3.5Å; S667-E670 PolarHBondContact O-N 3.14Å; S667-I671 PolarHBondContact O-N 3.23Å
668Y57.5Low55.9Low188 Ų188124.1 Ų124.174%0.73768%0.683SS**Hα-helixtrans-52.1-36.3177.8-176.3-103.7000112.3E670 I671 C672Y668-E670 PolarHBondContact O-N 2.82Å; Y668-I671 PolarHBondContact O-N 2.99Å; Y668-C672 PolarHBondContact O-N 3.46Å; Y668-C672 PolarHBondContact O-SG 3.11Å; Y668-C672 VanDerWaalsContact O-SG 3.33Å
669A68.6Low56Low56 Ų56126.6 Ų126.646%0.46369%0.687SS.*Hα-helixtrans-63.1-37.4175.100000113.7S667 Q673S667-A669 PolarHBondContact O-N 3.47Å; S667-A669 VanDerWaalsContact O-N 3.1Å; A669-Q673 WeakPolarHBondContact O-CG 3.41Å; A669-Q673 PolarHBondContact O-N 3.45Å; A669-Q673 VanDerWaalsContact O-N 3.14Å
670E71.3Confident55.6Low79 Ų79126.7 Ų126.737%0.36968%0.676SS.*Hα-helixtrans-71-36.3178-61.8173.984.900111.4P666 S667 Y668 Q673 R674P666-E670 HydrophobicContact CB-CB 4.4Å; S667-E670 VanDerWaalsContact CB-OE2 3.31Å; S667-E670 WeakPolarHBondContact CB-OE2 3.31Å; S667-E670 PolarHBondContact N-OE2 3.33Å; S667-E670 WeakPolarHBondContact O-CB 3.5Å; S667-E670 PolarHBondContact O-N 3.14Å; Y668-E670 PolarHBondContact O-N 2.82Å; E670-Q673 PolarHBondContact O-N 3.41Å; E670-R674 WeakPolarHBondContact O-CG 3.32Å; E670-R674 PolarHBondContact O-N 3.05Å
671I74.8Confident55.5Low92 Ų92128 Ų12847%0.47268%0.676SS.*Hα-helixtrans-64.1-46.5175.3-57.3172.2000109.8P666 S667 Y668 Q673 R674 A675P666-I671 HydrophobicContact CB-CG1 4.14Å; P666-I671 HydrophobicContact CG-CD1 4.23Å; P666-I671 HydrophobicContact CG-CG1 4.07Å; S667-I671 PolarHBondContact O-N 3.23Å; Y668-I671 PolarHBondContact O-N 2.99Å; I671-Q673 VanDerWaalsContact C-N 3.3Å; I671-Q673 PolarHBondContact O-N 3.3Å; I671-R674 PolarHBondContact O-N 3.5Å; I671-A675 PolarHBondContact O-N 3.37Å
672C69.5Low54.9Low64 Ų64127.8 Ų127.843%0.43267%0.669SS.*Hα-helixtrans-65.1-28178.1-67.70000114Y668Y668-C672 PolarHBondContact O-N 3.46Å; Y668-C672 PolarHBondContact O-SG 3.11Å; Y668-C672 VanDerWaalsContact O-SG 3.33Å
673Q73.4Confident54.4Low131 Ų131127.8 Ų127.861%0.61267%0.669SS**Hα-helixtrans-78.2-45.9174.8-73179.17.200111.9A669 E670 I671 A675 K676A669-Q673 WeakPolarHBondContact O-CG 3.41Å; A669-Q673 PolarHBondContact O-N 3.45Å; A669-Q673 VanDerWaalsContact O-N 3.14Å; E670-Q673 PolarHBondContact O-N 3.41Å; I671-Q673 VanDerWaalsContact C-N 3.3Å; I671-Q673 PolarHBondContact O-N 3.3Å; Q673-A675 PolarHBondContact O-N 3.06Å; Q673-A675 VanDerWaalsContact O-N 3.1Å; Q673-K676 WeakPolarHBondContact O-CB 3.43Å; Q673-K676 PolarHBondContact O-N 3.43Å
674R58.7Low53.1Low190 Ų190124.8 Ų124.872%0.71766%0.663SS**Hα-helixtrans-59.9-25.3178.8-70.8179.8-169.5-145.35113.9E670 I671 K676E670-R674 WeakPolarHBondContact O-CG 3.32Å; E670-R674 PolarHBondContact O-N 3.05Å; I671-R674 PolarHBondContact O-N 3.5Å; R674-K676 PolarHBondContact O-N 3.32Å
675A54.7Low51.6Low86 Ų86118.8 Ų118.871%0.71166%0.66SS**THydrogen-bonded Turntrans-72.8-6173.700000114.5I671 Q673I671-A675 PolarHBondContact O-N 3.37Å; Q673-A675 PolarHBondContact O-N 3.06Å; Q673-A675 VanDerWaalsContact O-N 3.1Å
676K58.9Low50.3Low178 Ų178115.9 Ų115.977%0.77466%0.661SS**THydrogen-bonded Turntrans-112.1-18.9-169.8-147.6174.9-176-176.60114.8Q673 R674Q673-K676 WeakPolarHBondContact O-CB 3.43Å; Q673-K676 PolarHBondContact O-N 3.43Å; R674-K676 PolarHBondContact O-N 3.32Å
677D49.7Very low48.2Very low134 Ų134117.8 Ų117.872%0.71768%0.676SS**  trans-109.426.9-172.3-62.8-48.1000114P679D677-P679 WeakPolarHBondContact O-CD 3.39Å
678A37.3Very low46.5Very low81 Ų81124.3 Ų124.367%0.66970%0.696SS**  trans-91.1111.8171.400000110.3
679P37.9Very low45Very low122 Ų122124.1 Ų124.179%0.79270%0.701SS**PPolyproline II helixtrans-79.4130.8-171.730.1-34.8000113.5D677 P681D677-P679 WeakPolarHBondContact O-CD 3.39Å; P679-P681 WeakPolarHBondContact O-CD 3.18Å
680T30.4Very low43Very low113 Ų113125.9 Ų125.969%0.69372%0.716SS**PPolyproline II helixtrans-71.1125.4175.7-50.50000112.5L682T680-L682 HydrophobicContact CG2-CD2 4.39Å; T680-L682 HydrophobicContact CG2-CG 4.33Å
681P31.7Very low41Very low126 Ų126131.6 Ų131.682%0.81874%0.74SS**PPolyproline II helixtrans-75.2126.1160.9-10.227.7000109.8P679P679-P681 WeakPolarHBondContact O-CD 3.18Å
682L29.9Very low38.9Very low133 Ų133132.6 Ų132.670%0.69675%0.752SS**  trans-109.1160.8177.2-79.1171.4000112T680T680-L682 HydrophobicContact CG2-CD2 4.39Å; T680-L682 HydrophobicContact CG2-CG 4.33Å
683H29.3Very low36.7Very low182 Ų182134.7 Ų134.784%0.84377%0.768SS**  trans73.3145.4174.5-49.9-79.9000115.4
684S27.7Very low34.2Very low115 Ų115133.7 Ų133.780%0.80477%0.774SS**  cis-141.1166.5-0.354.50000111.6
685A30.4Very low32.7Very low93 Ų93131 Ų13177%0.76978%0.778SS**  trans-100.9145.2179.200000112.4
686P29.7Very low31.5Very low133 Ų133131.5 Ų131.586%0.86478%0.783SS**  trans-84151.4161.734.4-32000111
687S27.1Very low30.5Very low110 Ų110128 Ų12877%0.76978%0.778SS**  trans-113.1145.4-173.257.50000113.8
688K27.9Very low29.4Very low204 Ų204128.4 Ų128.489%0.88779%0.785SS**  trans54130.5152.8-71.3-172.5174.9-176.90120.1
689E27.3Very low29Very low184 Ų184128.1 Ų128.186%0.8679%0.79SS**  trans-55.1139.6155177.4-175.3178.100112.7
690A25Very low28.4Very low94 Ų94130.7 Ų130.778%0.77779%0.792SS**  trans-154122.616000000111.2
691K30.8Very low28.2Very low198 Ų198131.5 Ų131.586%0.86179%0.788SS**  trans-104.9138.6159-85.4-176.5175.6176.60109.1
692P28.8Very low28.2Very low113 Ų113135 Ų13573%0.73479%0.785SS**  -132.1155.712038-26.3000109.9
693S23.5Very low28.1Very low109 Ų109137.5 Ų137.576%0.76279%0.79SS**  cis65.512847.4-1640000111.6
694C21.9Very low28.2Very low109 Ų109134.5 Ų134.574%0.73679%0.788SS**  cis-164.6-174.9-12.5-116.90000108.5
695V26.4Very low28Very low134 Ų134134.4 Ų134.481%0.81279%0.787SS**  trans72.2118.9164.8-164.60000117.4
696A30.1Very low27.5Very low97 Ų97137.8 Ų137.880%0.80279%0.793SS**  trans-128.1136.1146.700000107.7
697P37.1Very low27.3Very low104 Ų104135.7 Ų135.768%0.67579%0.787SS**  trans-101.8154.1-175.237.1-33.8000115.1
698T27Very low27.2Very low142 Ų142136 Ų13687%0.87179%0.789SS**  trans62.3116.714950.10000122
699G28.2Very low27Very low75 Ų75132.1 Ų132.177%0.77379%0.787SS**  trans99142.3142.700000117.9
700E26.3Very low27Very low177 Ų177127.7 Ų127.783%0.82778%0.782SS**  cis-162.7150.1-17.7-131.8178.3160.800111.3
701E26Very low28.4Very low130 Ų130129.1 Ų129.161%0.60778%0.783SS**  trans60.1136.5153-65.1-134.177.900126.1
702R32.2Very low28.7Very low198 Ų198125.7 Ų125.775%0.74778%0.781SS**  trans73.993140-74.8-179.2-87.9129.6-6.8124.5
703K28.5Very low28.6Very low186 Ų186123.6 Ų123.681%0.80978%0.78SS**  6490.2108.2-16578173-174.80122.3
704C30.9Very low28.7Very low119 Ų119125 Ų12580%0.80478%0.775SS**  41.8118.6127.4-510000124.6
705S22.4Very low29.2Very low113 Ų113128.4 Ų128.479%0.7978%0.78SS**  trans-164119.9140.7540000107.7
706D20.9Very low29.6Very low164 Ų164129.9 Ų129.988%0.87778%0.775SS**  82.5160.877.5-164.630.6000114.3
707A25.1Very low30.7Very low89 Ų89131 Ų13174%0.73677%0.774SS**  trans87.4117.5173.100000120.4
708S25.3Very low30.3Very low117 Ų117137.6 Ų137.682%0.81879%0.786SS**  trans-60.5154.9162.8172.10000114.9
709S24.4Very low30.6Very low122 Ų122138.2 Ų138.285%0.85378%0.779SS**  trans-176155.7136.839.10000115
710A25.7Very low30.9Very low91 Ų91138.9 Ų138.975%0.75277%0.768SS**  trans-161.9173.1168.800000108.8
711P54.7Low30.9Very low124 Ų124140.1 Ų140.181%0.80577%0.766SS**  cis-92.5-110.9-2036.6-23.9000109.1
712P37.1Very low31.6Very low126 Ų126142.7 Ų142.782%0.81878%0.778SS**  cis-108.9-171.9-13.243.5-31.6000112.7
713G26.2Very low32.2Very low69 Ų69139.2 Ų139.271%0.71178%0.781SS**  cis168.7138.7-15.900000113.1
714E26.4Very low33.8Very low139 Ų139136.2 Ų136.265%0.6578%0.781SS**  trans60.7149171.4-58.5-147.3108.400118.1K716E714-K716 IonicContact OE1-NZ 2.99Å; E714-K716 PolarHBondContact OE1-NZ 3.46Å
715H31.9Very low33.9Very low180 Ų180135.2 Ų135.283%0.83378%0.775SS**  cis-125.5174.225.3-69.7-91.5000116.4
716K35.8Very low34.3Very low165 Ų165141.1 Ų141.172%0.71778%0.78SS**  trans-92-179.3-171.3-62.9177.9175.294.60113.6E714E714-K716 IonicContact OE1-NZ 2.99Å; E714-K716 PolarHBondContact OE1-NZ 3.46Å
717P52.8Low34.9Very low120 Ų120139 Ų13978%0.77978%0.778SS**  cis-136163.6-30.330-11.3000115.5
718R28.7Very low35.1Very low244 Ų244138.4 Ų138.492%0.92178%0.78SS**  165.7140.8116.9-171.2167.1-174172.72.4112.3
719E32.7Very low36.6Very low155 Ų155138.9 Ų138.972%0.72478%0.781SS**  trans-129.7175.1-171.9-82.2-140.189.300111.7
720T34.6Very low36.9Very low89 Ų89137.8 Ų137.855%0.54678%0.779SS.*  cis-176.1161.6-27.1-78.50000107.9
721Y27.4Very low37.4Very low202 Ų202138.3 Ų138.379%0.79278%0.777SS**  trans144.2140.6135.9-85.5-72.8000119.7
722H39.2Very low36.4Very low184 Ų184138.6 Ų138.685%0.85278%0.777SS**  trans-154.7150.4166.7-80.3-62.2000110.2
723P45.2Very low36.2Very low126 Ų126137.6 Ų137.682%0.81878%0.779SS**  trans-135.3150163.937.2-22.9000116.7
724P63.2Low36.4Very low123 Ų123145.6 Ų145.680%0.79979%0.788SS**  trans-138.2-160.1-178.745.2-29.5000117.4
725S33.1Very low37.5Very low98 Ų98144.4 Ų144.469%0.68579%0.792SS**  trans93.6162.6173.577.10000117
726R30.4Very low37.3Very low236 Ų236143.3 Ų143.389%0.89179%0.792SS**  cis-140-15422.5-60.5179.4-176176.62.9113.9
727S33.5Very low37.1Very low120 Ų120143 Ų14384%0.83979%0.79SS**  trans-168.2151.1-151.456.10000120.9
728G28.1Very low36Very low76 Ų76145.2 Ų145.278%0.78479%0.79SS**  trans80.3179.7145.100000120.9
729P56.9Low36.1Very low128 Ų128137 Ų13783%0.83178%0.782SS**  cis-146.4174.9-14.743.5-24.8000119
730A31.8Very low35.9Very low98 Ų98141.8 Ų141.881%0.8179%0.793SS**  trans61157.7146.700000124.4
731S34.8Very low36Very low102 Ų102148.9 Ų148.971%0.71381%0.81SS**  cis-167.7163.3-28.764.80000115.9
732T34.3Very low36.8Very low130 Ų130145 Ų14580%0.79881%0.809SS**  trans67.3121.6143.244.60000127.8
733A33.1Very low36.4Very low105 Ų105141.4 Ų141.487%0.86881%0.812SS**  100.5154.4123.400000124.8
734R30.3Very low35.8Very low238 Ų238137.8 Ų137.890%0.89880%0.797SS**  trans-114.2176.5-174.2-91.8-175.1-179.9-174.61.2109.9
735P49.6Very low34.3Very low114 Ų114141.3 Ų141.374%0.7480%0.795SS**  cis-134.9-139.433.731.6-3000113.3
736L28.3Very low34.6Very low156 Ų156143.3 Ų143.382%0.81779%0.787SS**  cis-152.3-111.912.3-168.742.2000116.1
737K32Very low34.6Very low160 Ų160134 Ų13470%0.69676%0.761SS**  trans-152.8128.2-159.7-112.2172.8169.6-79.20114.3
738E29.5Very low34.8Very low165 Ų165132 Ų13277%0.77175%0.747SS**  50.9116.2114.4-167.5176-132.600121.8
739G29.7Very low35.3Very low72 Ų72134.1 Ų134.174%0.74275%0.747SS**  trans-175.110516700000118.9
740R29.5Very low34.4Very low255 Ų255133.8 Ų133.896%0.96275%0.745SS**  trans42.4138.5153.3-53.2-173.7-163.6-103.52.2123.4
741R36.9Very low34.7Very low238 Ų238135 Ų13590%0.89874%0.744SS**  trans-69.5167.2158-75.9178.1178.1168.8-0.4111.4
742P43.3Very low34.7Very low120 Ų120139 Ų13978%0.77975%0.751SS**  cis-158.1162.542.144.2-21.7000123
743A31.8Very low35.1Very low110 Ų110139 Ų13991%0.90975%0.754SS**  trans53.2137.1134.800000126.2
744G31Very low35Very low50 Ų50137.4 Ų137.452%0.51575%0.748SS.*  trans134.9155.9151.500000114.9
745R32.8Very low35.3Very low197 Ų197136 Ų13674%0.74375%0.748SS**  cis-160162.8-15.9-109.7-66.4178.7-142.1-4.5109.4P349P349-R745 CarbonylContact O-C 3.43Å; P349-R745 VanDerWaalsContact O-O 3.08Å
746W38.8Very low34.9Very low139 Ų139136 Ų13653%0.52775%0.748SS.*  trans-146.5125.2-148.5-42.9123.5000119.1P349 L350 Y351P349-W746 CarbonylContact O-C 2.96Å; P349-W746 WeakPolarHBondContact O-CA 3.37Å; P349-W746 PolarHBondContact O-N 3.1Å; P349-W746 VanDerWaalsContact O-N 3.15Å; L350-W746 HydrophobicContact CB-CE3 3.84Å; L350-W746 HydrophobicContact CB-CZ3 4.35Å; Y351-W746 HydrophobicContact CD1-CB 3.25Å; Y351-W746 HydrophobicContact CD1-CG 4.05Å; Y351-W746 HydrophobicContact CE1-CB 3.86Å; Y351-W746 HydrophobicContact CG-CB 3.67Å
747A31.4Very low35.2Very low40 Ų40134.2 Ų134.233%0.33175%0.748SS.*  trans-174.5141.1163.800000116.4P349 L350P349-A747 CarbonylContact C-O 3.53Å; P349-A747 VanDerWaalsContact C-O 3.31Å; P349-A747 HydrophobicContact CG-CB 4.41Å; P349-A747 PolarHBondContact O-N 3.35Å; L350-A747 CarbonylContact C-O 3.51Å; L350-A747 VanDerWaalsContact C-O 3.26Å; L350-A747 WeakPolarHBondContact CA-O 3.35Å; L350-A747 PolarHBondContact N-O 2.88Å; L350-A747 CarbonylContact O-C 3.59Å
748S38Very low35Very low80 Ų80132 Ų13256%0.55975%0.753SS**  trans-106.1179.6-164.1-41.40000115.8L350 Y351L350-S748 WeakPolarHBondContact O-CA 3.43Å; L350-S748 PolarHBondContact O-N 3.04Å; L350-S748 PolarHBondContact O-OG 2.75Å; Y351-S748 VanDerWaalsContact CB-OG 3.25Å; Y351-S748 WeakPolarHBondContact CB-OG 3.46Å
749P38.3Very low35.1Very low120 Ų120133.7 Ų133.778%0.77975%0.752SS**  trans-91.3168.1-170.736.4-34.6000116.9
750P37.3Very low35.2Very low120 Ų120136.4 Ų136.478%0.77975%0.75SS**  trans-103.1179.2-165.841.7-36.8000116.2
751P38.6Very low35.4Very low123 Ų123128 Ų12880%0.79974%0.735SS**  trans-104.4174.7-162.540.6-36.4000117
752H34.4Very low35.3Very low186 Ų186125.1 Ų125.186%0.86173%0.731SS**  trans-110.9150.5177.3-70.7-75.7000114.5
753P42.1Very low35Very low131 Ų131127.6 Ų127.685%0.85173%0.732SS**  trans-87.1-178.3174.137.6-36.7000112.9
754G31.6Very low35.4Very low72 Ų72127.7 Ų127.774%0.74272%0.721SS**  trans-170.7-171.5176.900000117.9
755K37.3Very low36.1Very low208 Ų208130.9 Ų130.990%0.90473%0.733SS**  trans68.8147.9-177.7-63-172.3176.1-178.10116.3
756P41.3Very low37Very low113 Ų113127.5 Ų127.573%0.73474%0.737SS**  -145.9163.296.939.1-24.7000116.5
757S33Very low37Very low119 Ų119130.6 Ų130.683%0.83275%0.754SS**  trans60.5165.2158.542.20000118.3
758S28.6Very low37.4Very low113 Ų113134.1 Ų134.179%0.7978%0.776SS**  cis-174.6152-13.3162.10000107.2
759R31.2Very low38.2Very low202 Ų202136.2 Ų136.276%0.76279%0.788SS**  cis-170.6169.4-19.8-170.7-173.7-178.7-100.6-1.5107.1
760D32.3Very low38.2Very low129 Ų129143.5 Ų143.569%0.6981%0.811SS**  trans74.2162.5162.6-64-54.1000120.3
761A34.2Very low38.3Very low78 Ų78144.7 Ų144.765%0.64581%0.813SS**  trans-123.5168.4-155.100000113.3
762H34.4Very low38.3Very low177 Ų177145.8 Ų145.882%0.81981%0.814SS**  177.8161.5114.5-101.5-80.3000113.6
763H35.7Very low38.5Very low173 Ų173143.6 Ų143.680%0.80181%0.811SS**  trans79.4160158.4-101.4-82.3000122.1
764T40.4Very low38.3Very low112 Ų112144.3 Ų144.369%0.68781%0.809SS**  trans-111.6157.1-159.140.60000113.3
765P46.6Very low38.7Very low117 Ų117148.8 Ų148.876%0.7681%0.813SS**PPolyproline II helixtrans-80.1141.3-179.631.9-35000113.1
766P52Low38.8Very low126 Ų126144.9 Ų144.982%0.81881%0.807SS**PPolyproline II helixtrans-76.1162.3167.132.7-34.1000112
767K38.9Very low38.6Very low203 Ų203147.1 Ų147.188%0.88381%0.812SS**PPolyproline II helixtrans-86.2152.8-179-65.1176.5-179.8175.20112.2
768S38.8Very low39Very low115 Ų115149.3 Ų149.380%0.80481%0.81SS**PPolyproline II helixtrans-63.5143.6169.9-39.30000112.7
769P55.2Low39.9Very low123 Ų123152.3 Ų152.380%0.79981%0.812SS**  trans-80.4177.9156.235.7-32.8000111.4
770Q39.1Very low40.7Very low273 Ų273147.8 Ų147.8100%1.27682%0.816SS**  trans-82.80173.3-64.6176.4-110.400112.2

Retrieved 770 of 770 residues in 157.3 ms (Link to these results)