A0A087XY30_POEFO Loading...

H/ACA ribonucleoprotein complex non-core subunit NAF1

RNA-binding protein required for the maturation of box H/ACA snoRNPs complex and ribosome biogenesis. During assembly of the H/ACA snoRNPs complex, it associates with the complex and disappears during maturation of the complex and is replaced by NOLA1/GAR1 to yield mature H/ACA snoRNPs complex. Probably competes with NOLA1/GAR1 for binding with DKC1/NOLA4.

AlphaFold DB , UniProt , Accession A0A087XY30, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 479 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M36Very low45.3Very low227 Ų227160.6 Ų160.6100%1.11884%0.836SS**  0151.50-92.460172.700108.7
2D38.6Very low45.8Very low156 Ų156156.6 Ų156.683%0.83483%0.827SS**  trans59.2131.2160.4-65-69.5000123
3R47.9Very low46.3Very low230 Ų230152.9 Ų152.987%0.86882%0.818SS**  trans-68.7166.7158.6-54.1159.3166.1-173.4-7.6109.4
4S46.5Very low46.5Very low120 Ų120150.6 Ų150.684%0.83982%0.816SS**  175.5136.2115.5-77.60000112.4
5S46.3Very low46.3Very low113 Ų113152.9 Ų152.979%0.7982%0.822SS**  trans-83.2162.3149-460000108.2
6P56.4Low46.5Very low110 Ų110155.2 Ų155.271%0.71483%0.826SS**  -150.7173.880.140.1-21.6000116.4
7D44.5Very low46.2Very low144 Ų144155.4 Ų155.477%0.7783%0.827SS**  trans29126.8147-58-43.9000121.8
8D50.2Low46.1Very low155 Ų155152.5 Ų152.583%0.82983%0.829SS**  -140.4160.7128.4-152.8-13.8000110.3
9K45.3Very low46.2Very low170 Ų170153.8 Ų153.874%0.73983%0.829SS**  trans-119.5133-167.4-64.1175.6-179.7175.40112.7
10Q43.9Very low45.9Very low193 Ų193154.6 Ų154.690%0.90283%0.827SS**  trans-153.1140.6153.7-107.8129.188.800112.2
11N42.6Very low45.9Very low149 Ų149156.4 Ų156.480%0.79783%0.833SS**  trans-156.1125.6175.1-173.631.3000105.3
12P51.3Low46.1Very low112 Ų112153.4 Ų153.473%0.72782%0.816SS**  -145.2-164.690.641.4-23.3000110.7
13P52.7Low46.3Very low109 Ų109152.2 Ų152.271%0.70881%0.814SS**  cis-123.3180-2.642.8-26.7000113.5
14P48.3Very low46.3Very low121 Ų121147.4 Ų147.479%0.78681%0.81SS**  trans-79.2159.6-177.133-36.6000113.3
15M43.3Very low46.1Very low184 Ų184149.3 Ų149.391%0.90681%0.808SS**  trans-107.5152.9156.7-65-159.7-56.800109.3
16E50.6Low45.8Very low190 Ų190149 Ų14989%0.88881%0.806SS**  trans-85.1165.8-170.8-62.2174.5140.900112.4
17D41.5Very low45Very low159 Ų159149.9 Ų149.985%0.8581%0.809SS**  trans-70.3144-163.6-48.8-84.1000114.3
18A43.8Very low44.7Very low103 Ų103151.2 Ų151.285%0.85181%0.811SS**  trans-135.368.717400000110.1E20A18-E20 PolarHBondContact O-N 3.35Å
19E47.8Very low44.4Very low177 Ų177151.7 Ų151.783%0.82781%0.812SS**  trans-75.5114.5174.2-73.7-169.8156.800111.6
20E40.8Very low44.4Very low170 Ų170151.5 Ų151.579%0.79481%0.814SS**  trans45119.3131.3-55.6-173.5172.800120.1A18A18-E20 PolarHBondContact O-N 3.35Å
21M45.2Very low43.9Very low192 Ų192149.2 Ų149.295%0.94681%0.808SS**  -140.3133.4124-145.9172.9-163.800110.6
22E40.3Very low43.5Very low164 Ų164149.8 Ų149.877%0.76681%0.811SS**  trans-75.4138.3-169-57.8177.6111.100113.1
23V43.5Very low43.1Very low132 Ų132152.2 Ų152.280%0.882%0.816SS**  trans-103.7101.3160.71790000107.9M25V23-M25 PolarHBondContact O-N 3.41Å
24T48.4Very low42.1Very low128 Ų128153.5 Ų153.579%0.78582%0.822SS**  trans-73.7117.2179.7310000111.5
25M41.4Very low41.4Very low160 Ų160152.9 Ų152.979%0.78882%0.816SS**  trans-86.8161.8-180-80-94.3-169.400112.9V23V23-M25 PolarHBondContact O-N 3.41Å
26S39.3Very low41.2Very low106 Ų106151.6 Ų151.674%0.74181%0.805SS**  trans71.7154.6167.6-8.80000114.4
27T40.9Very low40.7Very low129 Ų129149.4 Ų149.479%0.79180%0.795SS**  cis-159157.215-8.50000106.5
28Q37.4Very low40.6Very low173 Ų173149.3 Ų149.381%0.80880%0.795SS**  cis-141.7169.410.9-56.8177.8-59.400110.7
29L44.2Very low40Very low164 Ų164149.2 Ų149.286%0.85979%0.794SS**  trans-124173.6141.5-92.3175.1000107.9
30E44.4Very low39.3Very low166 Ų166148 Ų14878%0.77679%0.792SS**  trans65.4102.4175.7-54.6-174.8159.500116.6
31N34.6Very low38.9Very low146 Ų146147 Ų14778%0.78179%0.787SS**  169.8118.4107.5-91.8-70.3000111.4
32L34.2Very low38.2Very low161 Ų161143.2 Ų143.284%0.84378%0.775SS**  177.7124.7115.9-115.692.2000110.5
33L41.5Very low37.7Very low162 Ų162144.3 Ų144.385%0.84878%0.78SS**  trans-83.2150.2141.8-68.982.3000107.4
34V32.2Very low37.2Very low136 Ų136142.4 Ų142.482%0.82478%0.778SS**  trans-177166.6135.5140.80000110.4
35T34.3Very low36.4Very low109 Ų109144.7 Ų144.767%0.66978%0.78SS**  trans-104.6145.6-15550.50000116.3
36K39.1Very low35.9Very low156 Ų156145 Ų14568%0.67878%0.779SS**  trans62155.4133.5-65.9177.772.7-130.80122.7
37E38.9Very low35.6Very low144 Ų144145.2 Ų145.267%0.67378%0.776SS**  trans73167.314669-141.5111.200121.8
38D40.1Very low35.1Very low157 Ų157146.7 Ų146.784%0.8478%0.779SS**  trans-85.3155.2-138.6-57.3-92.6000118.3
39A31.5Very low34.7Very low101 Ų101141.9 Ų141.984%0.83578%0.776SS**  trans-155.3150.8145.800000112.5
40I33.4Very low34.4Very low153 Ų153142.6 Ų142.679%0.78578%0.78SS**  trans-116.6162.3178.7-56.9172.2000108.9
41Q32.3Very low34.5Very low149 Ų149140 Ų14070%0.69678%0.778SS**  trans12298.3138-154.278.626.900118.4
42T29.9Very low34.2Very low112 Ų112139.2 Ų139.269%0.68778%0.784SS**  trans67.8161.7149.164.10000118.7
43Q29.7Very low34Very low187 Ų187135.6 Ų135.687%0.87479%0.785SS**  cis-132.7-179.517.5-68.5179.116.100114.5
44A33.5Very low33.6Very low91 Ų91134 Ų13475%0.75279%0.788SS**  trans-59.7-178.9-179.400000115.8
45E32.3Very low33.4Very low177 Ų177130.8 Ų130.883%0.82778%0.782SS**  cis-148.7168.825.9-62.3178.2103.400115.2
46E30.7Very low33.2Very low167 Ų167130.8 Ų130.878%0.7879%0.785SS**  trans79.2149.6144.6-126.7-178.386.900125
47T32.4Very low32.9Very low110 Ų110131.5 Ų131.568%0.67579%0.791SS**  trans83.9100.516263.20000122.8
48D30.3Very low32.5Very low159 Ų159131.4 Ų131.485%0.8580%0.795SS**  trans48.4108.1130.9-61.7-37.8000124
49G30Very low32.2Very low73 Ų73131.9 Ų131.975%0.75379%0.792SS**  92.290.990.100000119.8
50L37.1Very low32.2Very low178 Ų178133.8 Ų133.893%0.93279%0.788SS**  trans-89.8144.1160.9-74.2171.1000112.1
51P45.4Very low32.3Very low112 Ų112130.3 Ų130.373%0.72778%0.778SS**  trans-100.2134.5177.235.6-31.4000113.9
52S29.6Very low32.2Very low130 Ų130130 Ų13091%0.90978%0.78SS**  trans153.8118.6134-71.20000112.5
53G30.7Very low32.3Very low85 Ų85133.9 Ų133.988%0.87679%0.788SS**  trans166.9100.2173.300000112.5
54S31.7Very low32.3Very low129 Ų129129.6 Ų129.690%0.90278%0.779SS**  trans-98.7134.9-174.355.60000113.3
55G28Very low32.3Very low68 Ų68131.3 Ų131.370%0.70178%0.78SS**  trans172.988.9169.300000117
56C30.3Very low32.1Very low109 Ų109129.9 Ų129.974%0.73677%0.773SS**  trans21.9101.8150.555.60000121.3
57E32.1Very low31.9Very low171 Ų171128 Ų12880%0.79977%0.773SS**  63.1149.5109.6-66.6166.5125.100123.4
58N31.6Very low31.8Very low142 Ų142128.9 Ų128.976%0.75977%0.773SS**  trans82.3138.6166.9-48-32.6000118.9
59E34.5Very low31.7Very low167 Ų167126.9 Ų126.978%0.7877%0.767SS**  cis-159.3160.6-23.5-108.9-158.113100109
60D31.3Very low31.9Very low140 Ų140128.3 Ų128.375%0.74977%0.766SS**  trans68.7147.6151.9-116.9-26.4000123.4
61S34.5Very low31.6Very low81 Ų81126.3 Ų126.357%0.56676%0.761SS**  138.923.8125.2-51.30000122.1
62N30.2Very low31Very low141 Ų141125.8 Ų125.875%0.75476%0.76SS**  trans47.8112.4144.7-62.5-35.1000123.5
63K32.7Very low31Very low194 Ų194127.5 Ų127.584%0.84375%0.753SS**  69.2104.9122.2-170.1-176.9176.5-177.10122.9
64S29.7Very low31.2Very low98 Ų98130.4 Ų130.469%0.68575%0.748SS**  47.3136.1124.5-168.10000123.7
65V32.8Very low32.5Very low127 Ų127129.2 Ų129.277%0.7774%0.737SS**  -176.2144.1115.9146.80000113.5
66H28.9Very low32.5Very low146 Ų146134.2 Ų134.268%0.67674%0.742SS**  trans-15.9158.6164.7-59.8-93000120.4
67T25.9Very low32.8Very low129 Ų129134.9 Ų134.979%0.79174%0.742SS**  -162.7129.460.950.50000118
68D29.5Very low32.7Very low127 Ų127133.7 Ų133.768%0.67974%0.742SS**  55.1121.1118.6-66.336.5000125.8
69T29.3Very low33.1Very low117 Ų117132.6 Ų132.672%0.71874%0.736SS**  102.599.7114.7-66.70000124.1
70S34.8Very low33.2Very low104 Ų104132 Ų13273%0.72773%0.733SS**  96.6150.7124.4-75.70000126.7
71T30.1Very low33.1Very low136 Ų136133 Ų13383%0.83474%0.738SS**  trans94.5136.2162-40.80000115.8
72S33.5Very low32.9Very low100 Ų100136.3 Ų136.370%0.69975%0.749SS**  cis-164.9-172.1-23.760.80000107.7
73H29.4Very low33.5Very low167 Ų167134.6 Ų134.677%0.77375%0.745SS**  cis-154.5-1585.8-159.2-106.1000111
74L35.1Very low33.3Very low146 Ų146130 Ų13076%0.76474%0.738SS**  trans-150.8-175.9-173.3-78.5179000111.7
75P58.8Low33.4Very low103 Ų103133.3 Ų133.367%0.66974%0.742SS**  cis-135.5-166.7-34.936.4-16.1000113.6
76E27.1Very low33.2Very low173 Ų173133.6 Ų133.681%0.80874%0.739SS**  162.3112.2119.1-141.6162.1108.400110.7
77V36.3Very low33.3Very low123 Ų123135.2 Ų135.275%0.74575%0.747SS**  3815394.2-95.20000117.7
78N30.2Very low33.4Very low147 Ų147132.3 Ų132.379%0.78674%0.743SS**  cis-149.9-171.126.2-156.863.8000116.1
79D40.8Very low33.6Very low119 Ų119135 Ų13564%0.63675%0.749SS**  trans-121.1179.8-145.7-155.9-32.4000115.6
80H35.3Very low33.6Very low154 Ų154136.1 Ų136.171%0.71375%0.746SS**  trans93.7122151-59.8-16.5000124.1
81N30.4Very low33.4Very low161 Ų161137 Ų13786%0.86175%0.747SS**  129.9152.2115-141.94.8000119.6
82L29.2Very low33.4Very low150 Ų150138.7 Ų138.779%0.78575%0.745SS**  trans-118.7-174.6177-87.2166.5000109.2
83P43.8Very low33.1Very low106 Ų106140 Ų14069%0.68875%0.749SS**  cis-142.8-172.111.345.6-26.4000117.9
84S29.1Very low33.2Very low98 Ų98136.7 Ų136.769%0.68575%0.75SS**  trans83.6122.4143.7-67.70000124.3
85E31.1Very low32.9Very low166 Ų166138.2 Ų138.278%0.77676%0.756SS**  trans78.8104.8132-74.1-158.682.200124.7
86N28Very low31.7Very low133 Ų133139.9 Ų139.971%0.71176%0.764SS**  92.6151.7111.7-153.3-8.3000120
87Q32.3Very low32.1Very low180 Ų180137.3 Ų137.384%0.84176%0.76SS**  trans75.8123.1171.5-51.3-174.339.500120.4
88G28.2Very low32Very low69 Ų69140.3 Ų140.371%0.71177%0.765SS**  12889.2122.900000121.5
89K33.3Very low32.5Very low183 Ų183137.5 Ų137.580%0.79676%0.763SS**  62.5117.3125.8-75.7-177.4158.4-107.70123.6
90E29.8Very low32.4Very low141 Ų141141 Ų14166%0.65978%0.775SS**  90.794.3107.4-154.5175.7149.700122.4
91V30.3Very low32.2Very low123 Ų123141.2 Ų141.275%0.74578%0.781SS**  trans50150.9132-153.80000122.8
92Q29.2Very low32.5Very low170 Ų170139.5 Ų139.579%0.79478%0.776SS**  trans104.4113.3160-58.1179.58200114.8
93V27.4Very low32.5Very low128 Ų128137.7 Ų137.778%0.77678%0.776SS**  81.311053175.80000113.4
94A30.6Very low32Very low97 Ų97139.2 Ų139.280%0.80278%0.783SS**  trans-160.7154.3154.500000110.4
95M30.2Very low32.1Very low178 Ų178140.4 Ų140.488%0.87779%0.787SS**  trans-126.2141.1179.7-49.7166.7-168.700109.1
96V33.2Very low32.4Very low139 Ų139143.1 Ų143.184%0.84279%0.79SS**  trans-142128169.2179.70000109.9
97T36.2Very low32.8Very low118 Ų118144.9 Ų144.972%0.72480%0.8SS**  trans-89.4169.1171.250.30000110.8
98H34.3Very low32.9Very low187 Ų187143.3 Ų143.387%0.86680%0.797SS**  trans-175.8166.9135.6-92.2-55.9000109.8
99A38.7Very low33.1Very low88 Ų88144.3 Ų144.373%0.72780%0.798SS**  trans-153.6171.1-162.800000114.1
100E39.2Very low33.1Very low193 Ų193141.6 Ų141.690%0.90280%0.797SS**  trans69.1130.7162.1-49.7-162.5155.700120.5
101D32.1Very low33.5Very low157 Ų157140.7 Ų140.784%0.8480%0.804SS**  -157.2164.7119.7-162.412.1000110.5
102V35.2Very low33.5Very low125 Ų125138.8 Ų138.876%0.75880%0.8SS**  trans-142.6141.7-169.7172.10000112.3
103S30.3Very low33.4Very low112 Ų112137.8 Ų137.878%0.78380%0.801SS**  trans-162.8169.5163.135.20000115.6
104V33.4Very low33.5Very low138 Ų138137.7 Ų137.784%0.83680%0.801SS**  trans-151.1171-175.3-104.70000109.2
105T31Very low33.5Very low124 Ų124141.2 Ų141.276%0.76180%0.8SS**  cis-103.817623.346.10000114.1
106R37.9Very low33.5Very low223 Ų223139.8 Ų139.884%0.84280%0.801SS**  cis7211334.8-166.9-157-162.5117.34.9115.6
107D34.8Very low33.4Very low170 Ų170141.6 Ų141.691%0.90980%0.801SS**  trans-158.9168.1147-113.7-32000111.4
108D35.3Very low33.2Very low147 Ų147140.5 Ų140.579%0.78680%0.803SS**  trans-119.2144-168178.184.6000113.5
109A31.7Very low33Very low89 Ų89139.2 Ų139.274%0.73680%0.803SS**  trans-171136151.700000112.8
110T33.1Very low32.4Very low127 Ų127138.1 Ų138.178%0.77980%0.8SS**  trans-120.8141.7161.9-56.50000109.8
111P39.2Very low32Very low122 Ų122134 Ų13479%0.79280%0.799SS**  trans-131.2160.1146.234.3-21.1000114
112A29.6Very low32.1Very low82 Ų82133.2 Ų133.268%0.67880%0.8SS**  trans-84.6168.1-166.600000115.8
113N28.3Very low32.4Very low150 Ų150132.7 Ų132.780%0.80280%0.799SS**  trans38139147.2-59.1-0.7000119.2
114T28.8Very low32.3Very low126 Ų126133.6 Ų133.677%0.77380%0.8SS**  -174160.776.2-61.50000111.4
115H30.4Very low32.1Very low171 Ų171131.6 Ų131.679%0.79280%0.798SS**  trans-42.6149.1175.9-61.7-114.2000118
116T30.6Very low32.3Very low147 Ų147130.9 Ų130.990%0.90280%0.804SS**  trans-148.4157.9133.8-38.80000109.9
117E30.7Very low31.9Very low178 Ų178126 Ų12683%0.83281%0.805SS**  trans-109.2161.6-178.3-63.5171.784.600113.7
118A32.3Very low31.8Very low94 Ų94122.5 Ų122.578%0.77780%0.8SS**  trans65.5161.1154.600000118.3
119D29.6Very low31.7Very low161 Ų161119.7 Ų119.786%0.86180%0.797SS**  cis-152.9163.33.4-149.8-23.1000112.4
120G27.6Very low31.7Very low65 Ų65121.9 Ų121.967%0.6780%0.801SS**  trans76.4100.914500000121.7
121A29.6Very low32.1Very low106 Ų106123 Ų12388%0.87680%0.802SS**  176.5136.7121.200000113.7
122V34.4Very low32.2Very low140 Ų140122.4 Ų122.485%0.84880%0.797SS**  trans-130.1153.5166.1-127.60000107
123P42Very low32.4Very low115 Ų115125 Ų12575%0.74780%0.804SS**  -152.6155.87238.6-17.9000118.7
124T27.5Very low32.6Very low130 Ų130122.3 Ų122.380%0.79880%0.797SS**  trans43.4115.9135.6-490000121.4
125A30.1Very low32.9Very low96 Ų96123.8 Ų123.879%0.79379%0.794SS**  170.7116.811000000114.4
126A34.7Very low32.9Very low109 Ų109120.8 Ų120.890%0.90179%0.787SS**  trans-172.4140.2146.200000109.5
127S30.3Very low33.3Very low121 Ų121116.3 Ų116.385%0.84676%0.761SS**  trans-158.2151.9175.7-175.60000110.4
128A31.5Very low33.7Very low97 Ų97116.6 Ų116.680%0.80276%0.762SS**  trans65.1140.4178.900000116
129A33Very low34.2Very low88 Ų88115.2 Ų115.273%0.72775%0.751SS**  cis-152.4131-15.600000110.6
130T32.3Very low34.6Very low135 Ų135111.1 Ų111.183%0.82875%0.747SS**  trans-88.1122.2169.5-470000109.1P132T130-P132 VanDerWaalsContact O-CD 3.32Å; T130-P132 WeakPolarHBondContact O-CD 3.45Å
131L41.9Very low35.3Very low151 Ų151112 Ų11279%0.79174%0.742SS**  trans-102.799.2168.7-66.8-179.6000109.1V133L131-V133 PolarHBondContact O-N 3.16Å; L131-V133 VanDerWaalsContact O-N 3.13Å
132P40.3Very low36Very low108 Ų108113 Ų11370%0.70174%0.737SS**  trans-70.6106.6167.929.2-31.7000108.5T130 S134T130-P132 VanDerWaalsContact O-CD 3.32Å; T130-P132 WeakPolarHBondContact O-CD 3.45Å; P132-S134 PolarHBondContact O-N 3.5Å
133V35Very low36.2Very low136 Ų136112.9 Ų112.982%0.82473%0.731SS**  trans-77.678.9173.9-170.10000108.2L131 F135L131-V133 PolarHBondContact O-N 3.16Å; L131-V133 VanDerWaalsContact O-N 3.13Å; V133-F135 PolarHBondContact O-N 2.75Å
134S32.7Very low36.3Very low94 Ų94115.6 Ų115.666%0.65773%0.734SS**  trans-66.896.1178.9570000110.2P132 V136P132-S134 PolarHBondContact O-N 3.5Å; S134-V136 VanDerWaalsContact C-N 3.3Å; S134-V136 PolarHBondContact O-N 3.26Å
135F34.8Very low37Very low158 Ų158116.3 Ų116.369%0.69373%0.733SS**  trans-73.386.7171.8-169.4-102000109.1V133 C137V133-F135 PolarHBondContact O-N 2.75Å; F135-C137 VanDerWaalsContact CD1-SG 3.51Å; F135-C137 VanDerWaalsContact CE1-SG 3.55Å; F135-C137 PolarHBondContact O-N 2.92Å
136V30.7Very low37.6Very low107 Ų107117.3 Ų117.365%0.64873%0.734SS**  trans-78.4104178.5-174.20000108.6S134 E138S134-V136 VanDerWaalsContact C-N 3.3Å; S134-V136 PolarHBondContact O-N 3.26Å; V136-E138 HydrophobicContact CG1-CB 4.12Å; V136-E138 PolarHBondContact O-N 2.93Å
137C38.3Very low38.3Very low54 Ų54119 Ų11937%0.36573%0.728SS.*  trans-69.951.7173.5-58.10000112.5F135 A139 N236F135-C137 VanDerWaalsContact CD1-SG 3.51Å; F135-C137 VanDerWaalsContact CE1-SG 3.55Å; F135-C137 PolarHBondContact O-N 2.92Å; C137-A139 PolarHBondContact O-N 3.13Å; C137-N236 PolarHBondContact SG-O 3.13Å
138E40Very low39.5Very low183 Ų183120.5 Ų120.586%0.85573%0.727SS**  trans-77.958.2174.7-159.2174.4143.900111.1V136V136-E138 HydrophobicContact CG1-CB 4.12Å; V136-E138 PolarHBondContact O-N 2.93Å
139A41Very low40.1Very low66 Ų66121.7 Ų121.755%0.54573%0.729SS.*  trans-100.384.3164.600000107.4C137 C141C137-A139 PolarHBondContact O-N 3.13Å; A139-C141 PolarHBondContact O-N 3.13Å
140G38.3Very low40.8Very low74 Ų74124.8 Ų124.876%0.76373%0.733SS**  trans-63.298.6172.400000110.1V142G140-V142 PolarHBondContact O-N 2.79Å
141C43.3Very low41.4Very low85 Ų85123.4 Ų123.457%0.57473%0.729SS**  trans-66.3120.2164.453.40000108A139 D143A139-C141 PolarHBondContact O-N 3.13Å; C141-D143 PolarHBondContact O-N 2.87Å
142V43.3Very low41.6Very low126 Ų126123.6 Ų123.676%0.76473%0.731SS**  trans-75.7114.1163.8-73.20000107.1G140 E144G140-V142 PolarHBondContact O-N 2.79Å; V142-E144 PolarHBondContact O-N 3.45Å
143D39.1Very low41.6Very low138 Ų138123.6 Ų123.674%0.73873%0.734SS**  trans-73.6105.8167.5-115.3-57.1000107C141 D145C141-D143 PolarHBondContact O-N 2.87Å; D143-D145 PolarHBondContact O-N 3.39Å
144E44.4Very low42.1Very low172 Ų172122.3 Ų122.380%0.80473%0.731SS**  trans-93.883.1166.1-68.4-162.7154.500107.8V142 S146V142-E144 PolarHBondContact O-N 3.45Å; E144-S146 PolarHBondContact O-N 3.3Å; E144-S146 VanDerWaalsContact O-N 3.13Å
145D41.4Very low42.4Very low144 Ų144122.8 Ų122.877%0.7773%0.734SS**  trans-49.6116.6167.2-77.4-65.9000109.2D143D143-D145 PolarHBondContact O-N 3.39Å
146S42.9Very low42.7Very low117 Ų117120.4 Ų120.482%0.81874%0.737SS**  trans-130.285.6173.6179.70000109.1E144 D148E144-S146 PolarHBondContact O-N 3.3Å; E144-S146 VanDerWaalsContact O-N 3.13Å; S146-D148 PolarHBondContact O-N 3.47Å
147D50.5Low43Very low146 Ų146120.6 Ų120.678%0.78174%0.743SS**  trans-78.5104.9176.953.7-44.9000112.2
148D53.9Low43Very low152 Ų152123.6 Ų123.681%0.81377%0.765SS**  trans-173.9107.3152.3-108.9-22.9000111.6S146S146-D148 PolarHBondContact O-N 3.47Å
149S44.9Very low42.9Very low122 Ų122120.1 Ų120.185%0.85376%0.761SS**  trans-176.695.9154.8-83.30000111.6
150D48.8Very low42.6Very low152 Ų152122.2 Ų122.281%0.81377%0.771SS**  trans-64.1147.2167.4-68-64.5000111.7
151S43Very low42.5Very low107 Ų107124.2 Ų124.275%0.74877%0.774SS**  trans-149.7102.3168.9-82.10000112.3S153S151-S153 PolarHBondContact O-N 3.43Å
152D46.4Very low42.3Very low155 Ų155125.7 Ų125.783%0.82979%0.785SS**  trans-65.683.6-175.7-74.6-61.2000113.8S154D152-S154 PolarHBondContact O-N 2.9Å; D152-S154 PolarHBondContact O-OG 3.01Å
153S41Very low42Very low107 Ų107125.7 Ų125.775%0.74879%0.79SS**  trans-67.886.8174.6-68.80000112.1S151 S155S151-S153 PolarHBondContact O-N 3.43Å; S153-S155 VanDerWaalsContact C-N 3.34Å; S153-S155 PolarHBondContact O-N 2.83Å
154S44.9Very low42Very low109 Ų109124.9 Ų124.976%0.76280%0.795SS**  trans-75.773.4-176.8-67.10000113.4D152 S156D152-S154 PolarHBondContact O-N 2.9Å; D152-S154 PolarHBondContact O-OG 3.01Å; S154-S156 PolarHBondContact O-N 3.33Å
155S40.2Very low41.6Very low104 Ų104121.8 Ų121.873%0.72779%0.793SS**  trans-71.8100.6178.5-65.10000113.3S153 S157S153-S155 VanDerWaalsContact C-N 3.34Å; S153-S155 PolarHBondContact O-N 2.83Å; S155-S157 PolarHBondContact O-N 3.42Å
156S41Very low41.5Very low108 Ų108120.1 Ų120.176%0.75579%0.792SS**  trans-90.662.4-178.948.90000113.9S154 S158S154-S156 PolarHBondContact O-N 3.33Å; S156-S158 PolarHBondContact O-N 2.9Å; S156-S158 VanDerWaalsContact O-N 3.13Å; S156-S158 PolarHBondContact O-OG 2.84Å
157S37Very low41.2Very low112 Ų112119.5 Ų119.578%0.78379%0.788SS**  trans-55.9114.7175.8-57.50000112.5S155S155-S157 PolarHBondContact O-N 3.42Å
158S37.8Very low40.7Very low116 Ų116117.3 Ų117.381%0.81179%0.785SS**  trans-124.7115.9176.7-63.60000110.4S156S156-S158 PolarHBondContact O-N 2.9Å; S156-S158 VanDerWaalsContact O-N 3.13Å; S156-S158 PolarHBondContact O-OG 2.84Å
159S37.7Very low39.9Very low111 Ų111115.8 Ų115.878%0.77679%0.785SS**  trans-128.1140.9-175.8-51.10000112.1
160S35.3Very low39.6Very low109 Ų109115.5 Ų115.576%0.76278%0.783SS**  trans123.1143.2142.3-53.40000118
161S35.5Very low39.5Very low117 Ų117114.2 Ų114.282%0.81878%0.783SS**  trans65106.4147.850.90000120
162S39.8Very low39.3Very low115 Ų115113.1 Ų113.180%0.80478%0.781SS**  trans-76.1153.6154.447.60000112.1
163S35.5Very low39Very low126 Ų126113.4 Ų113.488%0.88178%0.782SS**  trans-162.7146.2165-81.90000110.4
164S40Very low39.2Very low121 Ų121114.6 Ų114.685%0.84678%0.784SS**  trans-117.8143.9-166.8-440000112.5
165S35.8Very low39Very low108 Ų108118.5 Ų118.576%0.75579%0.788SS**  163.1130.4128.659.40000114.5
166S38.8Very low39Very low108 Ų108122.9 Ų122.976%0.75580%0.797SS**  trans32.8134.2142.164.40000120.7
167S38.5Very low39.3Very low104 Ų104124.8 Ų124.873%0.72780%0.799SS**  cis-175.7150.646.349.50000115.4
168S38.7Very low39.7Very low101 Ų101125.4 Ų125.471%0.70680%0.797SS**  trans49.7111.1146.762.40000121.9
169S37.4Very low40.3Very low119 Ų119127 Ų12783%0.83280%0.797SS**  174.2133.3101.8-72.30000112.5
170S38.8Very low40.9Very low116 Ų116129.5 Ų129.581%0.81180%0.796SS**  trans-91.9165.8176.5-38.60000111.6
171P45.7Very low41.5Very low125 Ų125128.2 Ų128.281%0.81279%0.787SS**  -141144.976.337-20.8000116.8
172A40.1Very low42Very low85 Ų85133 Ų13370%0.70279%0.794SS**  trans18.1114.215300000120.6
173L39.1Very low42.6Very low161 Ų161132.2 Ų132.284%0.84379%0.788SS**  trans-121.8145132.7-70.6177.5000108
174V45.2Very low43.6Very low131 Ų131134.7 Ų134.779%0.79479%0.786SS**  trans-105.7117.5-177.6-80.70000110.4
175F41Very low44.2Very low192 Ų192134.9 Ų134.984%0.84278%0.784SS**  trans-141156.4164.9-71-72.2000108.8
176E40.7Very low45.5Very low195 Ų195133.6 Ų133.691%0.91178%0.78SS**  trans-83.3169.9-159.4-67.3-177.6115.900114.9
177D47.9Very low46.7Very low149 Ų149133.6 Ų133.680%0.79778%0.777SS**  trans-70.6123.3-177.2-162.4150.6000111.8
178V43.8Very low47.8Very low125 Ų125136.8 Ų136.876%0.75878%0.784SS**  trans-14586.8164.4-174.80000108.2E180V178-E180 HydrophobicContact CG1-CB 4.28Å; V178-E180 PolarHBondContact O-N 3.22Å
179D50.7Low48.6Very low150 Ų150136.3 Ų136.380%0.80277%0.77SS**  trans-76.9105.4160.9-173.6-115000109.1
180E51.9Low49.9Very low163 Ų163133.3 Ų133.376%0.76275%0.752SS**  trans-150.2111.7170.6-158.183-11700111.3V178V178-E180 HydrophobicContact CG1-CB 4.28Å; V178-E180 PolarHBondContact O-N 3.22Å
181S46.7Very low51.3Low82 Ų82139.3 Ų139.357%0.57376%0.757SS**  trans18.6127.8157.6-167.70000120.7S183S181-S183 PolarHBondContact O-N 3.46Å; S181-S183 PolarHBondContact OG-N 2.89Å
182F45.6Very low52.2Low217 Ų217140.6 Ų140.695%0.95276%0.757SS**  trans-6872.5154-91.5-95.4000110.9Q184F182-Q184 PolarHBondContact O-N 3.49Å
183S52.1Low53.7Low99 Ų99140.8 Ų140.869%0.69274%0.743SS**  trans-60.4117.4168.1-640000109.1S181S181-S183 PolarHBondContact O-N 3.46Å; S181-S183 PolarHBondContact OG-N 2.89Å
184Q57.1Low55.3Low178 Ų178137.4 Ų137.483%0.83273%0.729SS**  trans-59.3148.3171.2-66.8-153.3-8.600109.5F182 A186F182-Q184 PolarHBondContact O-N 3.49Å; Q184-A186 PolarHBondContact O-N 2.85Å
185P52.6Low56.8Low125 Ų125134.3 Ų134.381%0.81271%0.708SS**  trans-58115.4173.825.4-33.5000108.2
186A63.1Low58.5Low80 Ų80127.1 Ų127.166%0.66168%0.678SS**  trans-55.4144.8173.100000108.9Q184 I188Q184-A186 PolarHBondContact O-N 2.85Å; A186-I188 PolarHBondContact O-N 2.67Å
187P64Low60Low108 Ų108124.2 Ų124.270%0.70166%0.664SS**  trans-47.9140173.2-28.135.5000110.8K189P187-K189 VanDerWaalsContact C-N 3.26Å; P187-K189 PolarHBondContact O-N 2.87Å
188I61Low61.4Low171 Ų171123.1 Ų123.188%0.87765%0.654SS**  trans-71.488.9178.7-57.3174.8000107.4A186A186-I188 PolarHBondContact O-N 2.67Å
189K56.5Low63.3Low92 Ų92119.9 Ų119.940%0.463%0.632SS.*  trans-79129.1174.9-61.9-165.871.1-1750110.6P187 E193 L195P187-K189 VanDerWaalsContact C-N 3.26Å; P187-K189 PolarHBondContact O-N 2.87Å; K189-E193 VanDerWaalsContact CA-OE2 3.3Å; K189-E193 WeakPolarHBondContact CA-OE2 3.45Å; K189-E193 WeakPolarHBondContact CE-O 3.32Å; K189-E193 PolarHBondContact NZ-O 2.93Å; K189-L195 HydrophobicContact CD-CD1 4.11Å; K189-L195 HydrophobicContact CD-CD2 4.32Å; K189-L195 HydrophobicContact CD-CG 4.32Å
190A65.3Low65Low55 Ų55117.8 Ų117.846%0.45563%0.627SS.*  trans-63.3164.1153.200000110.2D192 E193A190-D192 PolarHBondContact O-N 2.95Å; A190-E193 HydrophobicContact CB-CG 4Å; A190-E193 WeakPolarHBondContact CB-OE1 3.34Å; A190-E193 PolarHBondContact N-OE1 2.99Å; A190-E193 PolarHBondContact N-OE2 3.09Å
191R67.3Low66.6Low243 Ų243114 Ų11492%0.91762%0.623SS**THydrogen-bonded Turntrans-67.5-22.9-167.6-71.6-176.2177.1133.83.6114.2
192D64.1Low68.5Low152 Ų152112 Ų11281%0.81361%0.608SS**THydrogen-bonded Turntrans-122.815-169-49.1-79.5000111.6A190 V194A190-D192 PolarHBondContact O-N 2.95Å; D192-V194 PolarHBondContact O-N 3.15Å
193E72.4Confident70.4Confident89 Ų89109.8 Ų109.842%0.41660%0.601SS.*  trans-75.5108.7174.7-84.1168.6-145.700112.2K189 A190K189-E193 VanDerWaalsContact CA-OE2 3.3Å; K189-E193 WeakPolarHBondContact CA-OE2 3.45Å; K189-E193 WeakPolarHBondContact CE-O 3.32Å; K189-E193 PolarHBondContact NZ-O 2.93Å; A190-E193 HydrophobicContact CB-CG 4Å; A190-E193 WeakPolarHBondContact CB-OE1 3.34Å; A190-E193 PolarHBondContact N-OE1 2.99Å; A190-E193 PolarHBondContact N-OE2 3.09Å
194V72.8Confident71.9Confident90 Ų90109.6 Ų109.655%0.54559%0.589SS.*  trans-72.8127.9168.8-175.20000109.5D192 E198 L199D192-V194 PolarHBondContact O-N 3.15Å; V194-E198 HydrophobicContact CG1-CB 4.05Å; V194-E198 HydrophobicContact CG1-CG 4.08Å; V194-L199 HydrophobicContact CG1-CD2 3.82Å; V194-L199 HydrophobicContact CG1-CG 4Å
195L76.4Confident73.2Confident66 Ų66102.2 Ų102.235%0.34656%0.556SS.*  trans-86.8161.5178.6-67179.3000113.4K189 E197 E198 L199K189-L195 HydrophobicContact CD-CD1 4.11Å; K189-L195 HydrophobicContact CD-CD2 4.32Å; K189-L195 HydrophobicContact CD-CG 4.32Å; L195-E197 WeakPolarHBondContact CB-OE2 3.43Å; L195-E197 PolarHBondContact O-N 3.36Å; L195-E198 HydrophobicContact CB-CB 4.33Å; L195-E198 PolarHBondContact N-OE2 3.05Å; L195-E198 WeakPolarHBondContact O-CB 3.38Å; L195-E198 PolarHBondContact O-N 3.26Å; L195-L199 PolarHBondContact O-N 3.39Å
196L75.7Confident74.7Confident40 Ų40101.1 Ų101.121%0.20955%0.551CS.*THydrogen-bonded Turntrans-62-22.6175-65177000113.1L199 Q227 L228 R272L196-L199 HydrophobicContact CD2-CD1 4.31Å; L196-Q227 PolarHBondContact O-NE2 3.35Å; L196-Q227 VanDerWaalsContact O-NE2 3.14Å; L196-L228 HydrophobicContact CD1-CD1 3.82Å; L196-L228 HydrophobicContact CD1-CD2 4.45Å; L196-L228 HydrophobicContact CD1-CG 4.05Å; L196-L228 HydrophobicContact CD2-CD1 4.35Å; L196-L228 HydrophobicContact CD2-CD2 4.39Å; L196-R272 PolarHBondContact O-NH2 3.5Å
197E73.3Confident75.9Confident134 Ų13499.4 Ų99.463%0.62653%0.532SS*.THydrogen-bonded Turntrans-85-15.7173.5-60.173.3-16000113.4L195L195-E197 WeakPolarHBondContact CB-OE2 3.43Å; L195-E197 PolarHBondContact O-N 3.36Å
198E77.4Confident77.2Confident126 Ų12698.5 Ų98.559%0.58953%0.528SS*.THydrogen-bonded Turntrans-96.1-28.9-179.1-172.7169.4-165.800111.7V194 L195V194-E198 HydrophobicContact CG1-CB 4.05Å; V194-E198 HydrophobicContact CG1-CG 4.08Å; L195-E198 HydrophobicContact CB-CB 4.33Å; L195-E198 PolarHBondContact N-OE2 3.05Å; L195-E198 WeakPolarHBondContact O-CB 3.38Å; L195-E198 PolarHBondContact O-N 3.26Å
199L84Confident78.6Confident57 Ų5790.9 Ų90.930%0.29849%0.489SS..SBendtrans-60.6139.8167.8-70176.3000111.5V194 L195 L196 F258 R272V194-L199 HydrophobicContact CG1-CD2 3.82Å; V194-L199 HydrophobicContact CG1-CG 4Å; L195-L199 PolarHBondContact O-N 3.39Å; L196-L199 HydrophobicContact CD2-CD1 4.31Å; L199-F258 HydrophobicContact CD1-CE2 4.36Å; L199-F258 HydrophobicContact CD1-CZ 3.85Å; L199-R272 PolarHBondContact O-NH2 2.93Å
200P85.5Confident80.2Confident106 Ų10690 Ų9069%0.68849%0.493SS*.PPolyproline II helixtrans-58.1153.1-177.925.3-35.4000112.8R272P200-R272 PolarHBondContact O-NH1 2.87Å; P200-R272 PolarHBondContact O-NH2 2.91Å
201A86.2Confident81.3Confident83 Ų8395.2 Ų95.269%0.68651%0.508SS*.PPolyproline II helixtrans-59.8139.4179.100000111.9N274A201-N274 WeakPolarHBondContact CA-OD1 3.19Å
202V86.6Confident82.2Confident41 Ų4191.9 Ų91.925%0.24850%0.503CS..PPolyproline II helixtrans-79.4138.5179.6-175.20000110.2R272 N274V202-R272 HydrophobicContact CG2-CB 4.12Å; V202-R272 HydrophobicContact CG2-CG 3.79Å; V202-N274 PolarHBondContact N-OD1 3.13Å; V202-N274 PolarHBondContact O-ND2 3.22Å
203E84.9Confident83.4Confident171 Ų17185.2 Ų85.280%0.79947%0.469SS*.PPolyproline II helixtrans-67.2131174.3-172.8179.8169.600111.3V205E203-V205 PolarHBondContact O-N 3.08Å
204E84.1Confident84.4Confident95 Ų9585.8 Ų85.844%0.44447%0.472SS..  trans-79.288.1180-175.2158.7-172.600112S206 Q278 K282E204-S206 PolarHBondContact O-N 2.93Å; E204-S206 VanDerWaalsContact O-N 3.14Å; E204-S206 PolarHBondContact O-OG 2.91Å; E204-S206 VanDerWaalsContact O-OG 3.11Å; E204-Q278 PolarHBondContact OE2-NE2 3.31Å; E204-K282 WeakPolarHBondContact OE1-CE 3.44Å; E204-K282 IonicContact OE1-NZ 3.15Å
205V84.3Confident85.4Confident23 Ų2383.4 Ų83.414%0.13946%0.456CS..  trans-55.3119.2171.5-169.90000109.7E203 V207 I245 A253 K256 K282E203-V205 PolarHBondContact O-N 3.08Å; V205-V207 HydrophobicContact CG1-CG2 4.21Å; V205-I245 HydrophobicContact CG1-CD1 4Å; V205-I245 HydrophobicContact CG1-CG2 3.97Å; V205-A253 HydrophobicContact CG1-CB 3.72Å; V205-K256 HydrophobicContact CG2-CB 4.4Å; V205-K282 PolarHBondContact O-NZ 3.25Å
206S83.6Confident86.3Confident102 Ų10283.8 Ų83.871%0.71346%0.455SS*.  trans-134.227.3-172.2410000112.3E204E204-S206 PolarHBondContact O-N 2.93Å; E204-S206 VanDerWaalsContact O-N 3.14Å; E204-S206 PolarHBondContact O-OG 2.91Å; E204-S206 VanDerWaalsContact O-OG 3.11Å
207V87.8Confident87.3Confident44 Ų4484.4 Ų84.427%0.26746%0.462SS..  trans-71.3142.9176.1-179.40000110.8V205 A253 Y299V205-V207 HydrophobicContact CG1-CG2 4.21Å; V207-A253 HydrophobicContact CB-CB 4.04Å; V207-A253 WeakPolarHBondContact O-CB 3.5Å; V207-A253 PolarHBondContact O-N 3.04Å; V207-Y299 HydrophobicContact CG1-CE2 4.17Å
208S91.3Very high88.4Confident89 Ų8978 Ų7862%0.62243%0.432SS*.BIsolated β-bridgetrans-118.6134.8164.656.10000110.2R251S208-R251 WeakPolarHBondContact CA-O 3.49Å
209L91.4Very high89.3Confident11 Ų1172 Ų726%0.05840%0.404CS..  trans-79.5146.1178.9-57.8-177.4000111.4A213 L215 F247 R251 A293 L296 Y299L209-A213 HydrophobicContact CB-CB 4.06Å; L209-A213 HydrophobicContact CD1-CB 4.47Å; L209-L215 HydrophobicContact CD1-CD1 4.17Å; L209-L215 HydrophobicContact CD1-CD2 3.77Å; L209-L215 HydrophobicContact CD1-CG 3.94Å; L209-F247 HydrophobicContact CD1-CD1 3.76Å; L209-F247 HydrophobicContact CD1-CD2 4.11Å; L209-F247 HydrophobicContact CD1-CE1 3.79Å; L209-F247 HydrophobicContact CD1-CE2 4.13Å; L209-F247 HydrophobicContact CD1-CG 3.95Å; L209-F247 HydrophobicContact CD1-CZ 3.98Å; L209-F247 HydrophobicContact CD2-CD1 4.27Å; L209-F247 HydrophobicContact CD2-CE1 3.5Å; L209-F247 HydrophobicContact CD2-CZ 3.65Å; L209-F247 HydrophobicContact CG-CD1 3.69Å; L209-F247 HydrophobicContact CG-CE1 3.45Å; L209-F247 VanDerWaalsContact CG-CE1 3.45Å; L209-F247 HydrophobicContact CG-CG 4.39Å; L209-F247 HydrophobicContact CG-CZ 3.96Å; L209-R251 HydrophobicContact CB-CB 4.26Å; L209-R251 PolarHBondContact N-O 3.34Å; L209-A293 HydrophobicContact CD1-CB 3.72Å; L209-L296 HydrophobicContact CD2-CD1 3.7Å; L209-Y299 HydrophobicContact CD2-CD2 3.65Å; L209-Y299 HydrophobicContact CD2-CE2 3.55Å
210P89.9Confident89.9Confident74 Ų7471.3 Ų71.348%0.48140%0.402SS..  trans-65.4165.2172.530.2-35.4000111.4E212 A213 R251P210-E212 VanDerWaalsContact C-N 3.32Å; P210-E212 PolarHBondContact O-N 2.78Å; P210-A213 HydrophobicContact CG-CB 4.06Å; P210-A213 WeakPolarHBondContact O-CB 3.14Å; P210-A213 PolarHBondContact O-N 2.92Å; P210-R251 PolarHBondContact O-NH1 3.17Å
211E88.1Confident90.5Very high163 Ų16366.4 Ų66.476%0.76237%0.37SS*.THydrogen-bonded Turntrans-70-30.1-176.1-167.1170.4-179.700112.2A213 R251E211-A213 VanDerWaalsContact C-N 3.26Å; E211-A213 PolarHBondContact O-N 3.12Å; E211-R251 PolarHBondContact O-NH1 3.33Å; E211-R251 VanDerWaalsContact O-NH1 3.13Å; E211-R251 PolarHBondContact O-NH2 3.49Å
212E86.3Confident91Very high173 Ų17365.3 Ų65.381%0.80836%0.357SS*.THydrogen-bonded Turntrans-74.1-12.1176-50.493.6151.400113.8P210P210-E212 VanDerWaalsContact C-N 3.32Å; P210-E212 PolarHBondContact O-N 2.78Å
213A90.1Very high91.5Very high12 Ų1265.2 Ų65.210%0.09936%0.359CS..SBendtrans-68.5134.1178.100000111.2L209 P210 E211 R251 L296L209-A213 HydrophobicContact CB-CB 4.06Å; L209-A213 HydrophobicContact CD1-CB 4.47Å; P210-A213 HydrophobicContact CG-CB 4.06Å; P210-A213 WeakPolarHBondContact O-CB 3.14Å; P210-A213 PolarHBondContact O-N 2.92Å; E211-A213 VanDerWaalsContact C-N 3.26Å; E211-A213 PolarHBondContact O-N 3.12Å; A213-R251 PolarHBondContact O-NH1 3.2Å; A213-L296 HydrophobicContact CB-CD1 4.19Å
214E92.6Very high92Very high102 Ų10259.7 Ų59.748%0.47733%0.334SS..  trans-72.9134.2169.9-171.2177.5173.400110.4Q216 P294E214-Q216 HydrophobicContact CG-CG 4.44Å; E214-Q216 PolarHBondContact OE1-NE2 3.47Å; E214-P294 HydrophobicContact CB-CG 4.43Å; E214-P294 HydrophobicContact CG-CG 4.13Å
215L94.4Very high92.4Very high40 Ų4058.4 Ų58.421%0.20933%0.333CS..  trans-124.1124173.1-87.3157.4000108.8L209 F247 R251 F292L209-L215 HydrophobicContact CD1-CD1 4.17Å; L209-L215 HydrophobicContact CD1-CD2 3.77Å; L209-L215 HydrophobicContact CD1-CG 3.94Å; L215-F247 HydrophobicContact CD2-CB 3.81Å; L215-F247 HydrophobicContact CD2-CD2 4.35Å; L215-F247 HydrophobicContact CD2-CG 4.18Å; L215-R251 HydrophobicContact CD1-CB 4.16Å; L215-R251 HydrophobicContact CD1-CG 3.67Å; L215-F292 WeakPolarHBondContact CA-O 3.15Å
216Q95.4Very high92.7Very high73 Ų7363.6 Ų63.634%0.34136%0.355SS..EExtended strand (participates in β ladder)trans-113.2144.8174.2-71.8-176.79.100109.6E214 V218 Y291 F292 P294E214-Q216 HydrophobicContact CG-CG 4.44Å; E214-Q216 PolarHBondContact OE1-NE2 3.47Å; Q216-V218 PolarHBondContact O-N 3.18Å; Q216-Y291 CarbonylContact O-C 3.49Å; Q216-Y291 WeakPolarHBondContact O-CA 3.41Å; Q216-Y291 WeakPolarHBondContact O-CB 3.17Å; Q216-F292 HydrophobicContact CB-CD1 4.02Å; Q216-F292 HydrophobicContact CB-CE1 3.44Å; Q216-F292 VanDerWaalsContact CB-CE1 3.44Å; Q216-F292 HydrophobicContact CB-CZ 3.81Å; Q216-F292 PolarHBondContact N-O 3.29Å; Q216-F292 WeakPolarHBondContact O-CD1 3.39Å; Q216-F292 PolarHBondContact O-N 2.83Å; Q216-P294 HydrophobicContact CB-CG 4.37Å; Q216-P294 HydrophobicContact CG-CG 3.9Å
217P96.1Very high93.1Very high54 Ų5460 Ų6035%0.35133%0.328SS..EExtended strand (participates in β ladder)trans-72.2127.3177.130.3-33.7000109.8L234 T237 T289 Y291P217-L234 HydrophobicContact CB-CD1 3.83Å; P217-L234 HydrophobicContact CG-CD1 4.06Å; P217-T237 WeakPolarHBondContact O-CG2 3.3Å; P217-T289 HydrophobicContact CB-CG2 3.96Å; P217-Y291 HydrophobicContact CB-CD1 4Å; P217-Y291 HydrophobicContact CB-CE1 3.89Å
218V95.8Very high93.5Very high0 Ų059.4 Ų59.40%032%0.322CS..EExtended strand (participates in β ladder)trans-91.6-34.4176.373.10000111.8Q216 S233 L234 L240 L246 Y269 V290 F292Q216-V218 PolarHBondContact O-N 3.18Å; V218-S233 CarbonylContact O-C 3.55Å; V218-S233 VanDerWaalsContact O-CA 3.3Å; V218-S233 WeakPolarHBondContact O-CA 3.16Å; V218-L234 PolarHBondContact O-N 2.92Å; V218-L240 HydrophobicContact CG2-CD1 3.78Å; V218-L240 HydrophobicContact CG2-CG 4.07Å; V218-L246 HydrophobicContact CG1-CD1 4.29Å; V218-L246 HydrophobicContact CG1-CD2 3.94Å; V218-Y269 HydrophobicContact CG2-CD2 4.46Å; V218-Y269 HydrophobicContact CG2-CE2 3.65Å; V218-V290 HydrophobicContact CG1-CB 4.38Å; V218-V290 HydrophobicContact CG1-CG2 3.7Å; V218-V290 PolarHBondContact N-O 2.92Å; V218-F292 HydrophobicContact CB-CB 4.4Å; V218-F292 HydrophobicContact CB-CD1 3.66Å; V218-F292 HydrophobicContact CB-CE1 4.35Å; V218-F292 HydrophobicContact CB-CG 4.35Å; V218-F292 HydrophobicContact CG2-CD1 4.17Å
219G96.8Very high93.8Very high0 Ų055.1 Ų55.10%029%0.293CS..EExtended strand (participates in β ladder)trans-179.5-178.1-162.900000113.9Q232 T289 V290G219-Q232 CarbonylContact C-O 3.47Å; G219-Q232 WeakPolarHBondContact CA-O 3.43Å; G219-T289 WeakPolarHBondContact O-CA 3.41Å; G219-V290 PolarHBondContact N-O 2.88Å; G219-V290 WeakPolarHBondContact O-CG2 3.15Å; G219-V290 PolarHBondContact O-N 3.14Å
220T97.3Very high94Very high42 Ų4256.5 Ų56.526%0.25830%0.3SS..EExtended strand (participates in β ladder)trans-127.8142.7172.847.50000110.2S222 I231 Q232 S288T220-S222 PolarHBondContact O-N 3.04Å; T220-S222 VanDerWaalsContact O-N 3.12Å; T220-I231 WeakPolarHBondContact O-CA 3.42Å; T220-Q232 PolarHBondContact N-O 3.02Å; T220-Q232 PolarHBondContact O-N 2.94Å; T220-S288 WeakPolarHBondContact CA-O 3.45Å
221V97.6Very high94.4Very high3 Ų353 Ų532%0.01828%0.277CS..EExtended strand (participates in β ladder)trans-59.5115.8171.5178.70000109I224 V229 I231 L284 T285 E286 G287 S288V221-I224 HydrophobicContact CG1-CD1 4.37Å; V221-I224 HydrophobicContact CG1-CG1 3.94Å; V221-V229 HydrophobicContact CB-CG1 4.36Å; V221-V229 HydrophobicContact CG1-CG1 3.59Å; V221-V229 HydrophobicContact CG2-CG1 3.91Å; V221-I231 HydrophobicContact CG2-CG1 4.1Å; V221-L284 HydrophobicContact CG2-CD2 4.37Å; V221-T285 WeakPolarHBondContact CB-O 3.46Å; V221-E286 HydrophobicContact CG1-CG 4.48Å; V221-G287 PolarHBondContact O-N 2.77Å; V221-S288 PolarHBondContact N-O 3.45Å
222S96.8Very high94.8Very high59 Ų5949.1 Ų49.141%0.41326%0.259SS..EExtended strand (participates in β ladder)trans-90.5-38.5-178.4-175.30000111.8T220 I230T220-S222 PolarHBondContact O-N 3.04Å; T220-S222 VanDerWaalsContact O-N 3.12Å; S222-I230 PolarHBondContact N-O 3.4Å
223S96.7Very high95.3Very high40 Ų4041.3 Ų41.328%0.2822%0.223SC..EExtended strand (participates in β ladder)trans-158.8156.6175.4-169.20000112I230 E286S223-I230 PolarHBondContact N-O 3.41Å; S223-I230 PolarHBondContact O-N 2.76Å; S223-E286 WeakPolarHBondContact CA-OE1 3.44Å; S223-E286 PolarHBondContact OG-OE1 2.79Å
224I95.8Very high95.6Very high55 Ų5543.9 Ų43.928%0.28224%0.235SC..EExtended strand (participates in β ladder)trans-118.9119.7172.9-59171.4000108.8V221 V229 I279 E286V221-I224 HydrophobicContact CG1-CD1 4.37Å; V221-I224 HydrophobicContact CG1-CG1 3.94Å; I224-V229 HydrophobicContact CG1-CG1 4.28Å; I224-V229 HydrophobicContact CG1-CG2 4.32Å; I224-V229 HydrophobicContact CG2-CG2 4.43Å; I224-I279 HydrophobicContact CD1-CG2 3.99Å; I224-I279 HydrophobicContact CG2-CD1 3.83Å; I224-I279 HydrophobicContact CG2-CG2 4.16Å; I224-E286 HydrophobicContact CD1-CG 4.27Å; I224-E286 HydrophobicContact CG1-CG 4.18Å; I224-E286 PolarHBondContact N-OE1 2.79Å
225V93.1Very high95.4Very high67 Ų6747.6 Ų47.641%0.40625%0.249SC..EExtended strand (participates in β ladder)trans-127111.1-174-177.10000109.5Q227 L228 I230V225-Q227 PolarHBondContact O-N 3.02Å; V225-L228 PolarHBondContact N-O 3.25Å; V225-L228 WeakPolarHBondContact O-CA 3Å; V225-L228 WeakPolarHBondContact O-CB 3.45Å; V225-L228 PolarHBondContact O-N 2.83Å; V225-I230 HydrophobicContact CG2-CD1 4.32Å
226Q90.6Very high94.8Very high133 Ų13351.9 Ų51.962%0.62127%0.273SS*.THydrogen-bonded Turntrans55.6-106.8-176.1-57172-6.100112
227Q92.3Very high94.5Very high27 Ų2749.9 Ų49.913%0.12627%0.266CS..THydrogen-bonded Turntrans-110.512.217667.3-175.6-1.800113.1L196 V225 F273 N274L196-Q227 PolarHBondContact O-NE2 3.35Å; L196-Q227 VanDerWaalsContact O-NE2 3.14Å; V225-Q227 PolarHBondContact O-N 3.02Å; Q227-F273 VanDerWaalsContact CD-O 3.27Å; Q227-F273 WeakPolarHBondContact CG-O 3.14Å; Q227-F273 PolarHBondContact O-N 2.87Å; Q227-F273 PolarHBondContact OE1-O 3.17Å; Q227-N274 PolarHBondContact OE1-O 2.82Å
228L95Very high94.3Very high30 Ų3048.8 Ų48.816%0.15726%0.259CS..EExtended strand (participates in β ladder)trans-105.7143175.9-55.9-175.3000110.9L196 V225 V270 L271 R272L196-L228 HydrophobicContact CD1-CD1 3.82Å; L196-L228 HydrophobicContact CD1-CD2 4.45Å; L196-L228 HydrophobicContact CD1-CG 4.05Å; L196-L228 HydrophobicContact CD2-CD1 4.35Å; L196-L228 HydrophobicContact CD2-CD2 4.39Å; V225-L228 PolarHBondContact N-O 3.25Å; V225-L228 WeakPolarHBondContact O-CA 3Å; V225-L228 WeakPolarHBondContact O-CB 3.45Å; V225-L228 PolarHBondContact O-N 2.83Å; L228-V270 HydrophobicContact CB-CG1 4.17Å; L228-V270 HydrophobicContact CD1-CG1 4.22Å; L228-V270 HydrophobicContact CD2-CG1 3.98Å; L228-V270 HydrophobicContact CG-CG1 4.35Å; L228-L271 CarbonylContact C-O 3.56Å; L228-L271 WeakPolarHBondContact CA-O 3.29Å; L228-R272 HydrophobicContact CD2-CB 3.65Å; L228-R272 HydrophobicContact CD2-CG 3.7Å
229V96.9Very high94.1Very high0 Ų049.5 Ų49.50%026%0.264CS..EExtended strand (participates in β ladder)trans-118.2123.3170.5-176.90000108.8V221 I224 I231 V270 L271 F273 I279 L284V221-V229 HydrophobicContact CB-CG1 4.36Å; V221-V229 HydrophobicContact CG1-CG1 3.59Å; V221-V229 HydrophobicContact CG2-CG1 3.91Å; I224-V229 HydrophobicContact CG1-CG1 4.28Å; I224-V229 HydrophobicContact CG1-CG2 4.32Å; I224-V229 HydrophobicContact CG2-CG2 4.43Å; V229-I231 HydrophobicContact CG1-CG1 4.32Å; V229-V270 WeakPolarHBondContact O-CA 3.46Å; V229-L271 HydrophobicContact CB-CB 4.36Å; V229-L271 PolarHBondContact N-O 3.14Å; V229-L271 PolarHBondContact O-N 3.11Å; V229-F273 HydrophobicContact CB-CE2 4.26Å; V229-F273 HydrophobicContact CG2-CD2 4.07Å; V229-F273 HydrophobicContact CG2-CE2 3.63Å; V229-I279 HydrophobicContact CG2-CB 4.44Å; V229-I279 HydrophobicContact CG2-CD1 3.7Å; V229-I279 HydrophobicContact CG2-CG1 3.92Å; V229-I279 HydrophobicContact CG2-CG2 3.67Å; V229-L284 HydrophobicContact CB-CD1 4.4Å; V229-L284 HydrophobicContact CG1-CD1 4.21Å; V229-L284 HydrophobicContact CG2-CD1 3.89Å
230I97.6Very high94.1Very high40 Ų4049.5 Ų49.521%0.20526%0.264CS..EExtended strand (participates in β ladder)trans-98.4122.4179.3-57.4174.2000108.4S222 S223 V225 F261 F268S222-I230 PolarHBondContact N-O 3.4Å; S223-I230 PolarHBondContact N-O 3.41Å; S223-I230 PolarHBondContact O-N 2.76Å; V225-I230 HydrophobicContact CG2-CD1 4.32Å; I230-F261 HydrophobicContact CG2-CE1 4.27Å; I230-F261 HydrophobicContact CG2-CZ 3.95Å; I230-F268 HydrophobicContact CG2-CB 4.39Å; I230-F268 HydrophobicContact CG2-CD1 4.08Å
231I97.9Very high93.9Very high0 Ų049.8 Ų49.80%026%0.264CS..EExtended strand (participates in β ladder)trans-112.7122.4-179.7-69.7154.2000108.6T220 V221 V229 L246 F268 Y269 L271 V290T220-I231 WeakPolarHBondContact O-CA 3.42Å; V221-I231 HydrophobicContact CG2-CG1 4.1Å; V229-I231 HydrophobicContact CG1-CG1 4.32Å; I231-L246 HydrophobicContact CD1-CD1 3.62Å; I231-F268 CarbonylContact O-C 3.55Å; I231-F268 VanDerWaalsContact O-CA 3.27Å; I231-F268 WeakPolarHBondContact O-CA 3.35Å; I231-Y269 HydrophobicContact CG2-CD2 4.15Å; I231-Y269 PolarHBondContact N-O 3.29Å; I231-Y269 PolarHBondContact O-N 2.8Å; I231-L271 HydrophobicContact CD1-CD1 3.62Å; I231-L271 HydrophobicContact CD1-CG 3.83Å; I231-V290 HydrophobicContact CB-CG2 4.43Å; I231-V290 HydrophobicContact CD1-CG1 4.32Å; I231-V290 HydrophobicContact CD1-CG2 3.99Å; I231-V290 HydrophobicContact CG1-CG2 4.1Å; I231-V290 HydrophobicContact CG2-CG2 3.47Å; I231-V290 VanDerWaalsContact CG2-CG2 3.47Å
232Q96.9Very high93.7Very high81 Ų8154.6 Ų54.638%0.37929%0.286SS..EExtended strand (participates in β ladder)trans-84.6129.6170.6-173.4173.328.200109.5G219 T220 F268G219-Q232 CarbonylContact C-O 3.47Å; G219-Q232 WeakPolarHBondContact CA-O 3.43Å; T220-Q232 PolarHBondContact N-O 3.02Å; T220-Q232 PolarHBondContact O-N 2.94Å; Q232-F268 HydrophobicContact CB-CD1 3.91Å; Q232-F268 HydrophobicContact CB-CE1 3.72Å; Q232-F268 HydrophobicContact CG-CD1 4.12Å; Q232-F268 HydrophobicContact CG-CE1 3.61Å; Q232-F268 HydrophobicContact CG-CZ 4.1Å
233S96.8Very high93.5Very high10 Ų1056.7 Ų56.77%0.0729%0.293CS..EExtended strand (participates in β ladder)trans-65.6153.7174.453.80000113.3V218 S266 P267V218-S233 CarbonylContact O-C 3.55Å; V218-S233 VanDerWaalsContact O-CA 3.3Å; V218-S233 WeakPolarHBondContact O-CA 3.16Å; S233-S266 VanDerWaalsContact OG-CA 3.28Å; S233-S266 WeakPolarHBondContact OG-CA 3.43Å; S233-P267 WeakPolarHBondContact CB-O 3.38Å; S233-P267 PolarHBondContact N-O 2.87Å; S233-P267 VanDerWaalsContact N-O 3.08Å; S233-P267 VanDerWaalsContact OG-CD 3.23Å; S233-P267 WeakPolarHBondContact OG-CD 3.23Å; S233-P267 VanDerWaalsContact OG-N 3.07Å; S233-P267 PolarHBondContact OG-O 2.83Å
234L94.5Very high93.5Very high65 Ų6554.9 Ų54.934%0.3428%0.281SS..PPolyproline II helixtrans-80.8150.3169.5-64.5179.1000110.9P217 V218 N236 T237P217-L234 HydrophobicContact CB-CD1 3.83Å; P217-L234 HydrophobicContact CG-CD1 4.06Å; V218-L234 PolarHBondContact O-N 2.92Å; L234-N236 PolarHBondContact O-N 3.43Å; L234-T237 HydrophobicContact CB-CG2 3.89Å; L234-T237 PolarHBondContact O-N 3.28Å; L234-T237 PolarHBondContact O-OG1 3.45Å
235K88.5Confident93.5Very high180 Ų18053.2 Ų53.278%0.78327%0.272SS*.THydrogen-bonded Turntrans-62.4136.5174.5-61.8-165176.5-162.90110.3
236N83.4Confident93.6Very high130 Ų13050 Ų5070%0.69525%0.253SS*.THydrogen-bonded Turntrans74.92.6-177.9-39-75.8000116.9C137 L234C137-N236 PolarHBondContact SG-O 3.13Å; L234-N236 PolarHBondContact O-N 3.43Å
237T88.8Confident93.9Very high32 Ų3243.7 Ų43.720%0.19622%0.223CC..PPolyproline II helixtrans-73.4144.6168.657.10000110.8P217 L234P217-T237 WeakPolarHBondContact O-CG2 3.3Å; L234-T237 HydrophobicContact CB-CG2 3.89Å; L234-T237 PolarHBondContact O-N 3.28Å; L234-T237 PolarHBondContact O-OG1 3.45Å
238P90.9Very high94Very high31 Ų3146.2 Ų46.220%0.20123%0.231CC..PPolyproline II helixtrans-63.1143.7169.929.8-35.9000110.6L240 F292 Y302P238-L240 PolarHBondContact O-N 3.22Å; P238-F292 HydrophobicContact CG-CE2 4.28Å; P238-F292 HydrophobicContact CG-CZ 4.06Å; P238-Y302 HydrophobicContact CB-CD1 3.8Å; P238-Y302 HydrophobicContact CB-CE1 4Å; P238-Y302 HydrophobicContact CG-CD1 3.9Å; P238-Y302 HydrophobicContact CG-CE1 3.56Å
239A93Very high93.9Very high14 Ų1448.1 Ų48.112%0.11625%0.247CC..PPolyproline II helixtrans-68.7121.4173.500000109.8P267 Y302 I303A239-P267 HydrophobicContact CB-CG 4.14Å; A239-Y302 WeakPolarHBondContact O-CA 3.35Å; A239-I303 HydrophobicContact CB-CB 4.11Å; A239-I303 PolarHBondContact O-N 3.04Å
240L94.9Very high93.7Very high0 Ų052.1 Ų52.10%027%0.269CS..BIsolated β-bridgetrans-80.1148.8174.2-54.6-171.2000110.2V218 P238 L246 Y269 F292 T300 E301 Y302 I303V218-L240 HydrophobicContact CG2-CD1 3.78Å; V218-L240 HydrophobicContact CG2-CG 4.07Å; P238-L240 PolarHBondContact O-N 3.22Å; L240-L246 HydrophobicContact CD1-CD2 3.69Å; L240-Y269 HydrophobicContact CB-CE1 3.79Å; L240-Y269 HydrophobicContact CG-CE1 4.4Å; L240-Y269 PolarHBondContact N-OH 2.92Å; L240-F292 HydrophobicContact CD1-CB 3.86Å; L240-F292 HydrophobicContact CD1-CG 4.23Å; L240-F292 HydrophobicContact CD2-CD2 4Å; L240-F292 HydrophobicContact CD2-CE2 4.32Å; L240-F292 HydrophobicContact CD2-CG 4.43Å; L240-T300 HydrophobicContact CD2-CG2 3.79Å; L240-E301 WeakPolarHBondContact CA-O 3.33Å; L240-Y302 HydrophobicContact CD2-CD1 3.66Å; L240-Y302 HydrophobicContact CD2-CE1 3.64Å; L240-I303 VanDerWaalsContact O-CD1 3.23Å; L240-I303 WeakPolarHBondContact O-CD1 3.34Å; L240-I303 WeakPolarHBondContact O-CG1 3.46Å
241N93.9Very high93.5Very high48 Ų4853.8 Ų53.826%0.25727%0.272SS..PPolyproline II helixtrans-78.1168.2172.5-156.311000110.9S244 E301 I303N241-S244 WeakPolarHBondContact O-CB 3.27Å; N241-S244 PolarHBondContact O-OG 2.81Å; N241-S244 VanDerWaalsContact O-OG 3.06Å; N241-E301 HydrophobicContact CB-CB 4.02Å; N241-E301 HydrophobicContact CB-CG 4.02Å; N241-E301 PolarHBondContact N-O 2.86Å; N241-E301 PolarHBondContact ND2-OE1 3.04Å; N241-I303 HydrophobicContact CB-CG1 4.04Å
242E93.6Very high93.4Very high104 Ų10457.1 Ų57.149%0.48629%0.293SS..THydrogen-bonded Turntrans-47.2163.5155.7-69.7170.5-159.600110.9S244 V260E242-S244 PolarHBondContact O-N 2.88Å; E242-V260 HydrophobicContact CG-CG2 4.15Å
243D93.2Very high93.3Very high104 Ų10453.3 Ų53.356%0.55628%0.275SS*.THydrogen-bonded Turntrans64.5-9179.4-896.9000116.8K256 V257D243-K256 HydrophobicContact CB-CD 4.42Å; D243-K256 VanDerWaalsContact O-CE 3.28Å; D243-K256 WeakPolarHBondContact O-CE 3.41Å; D243-K256 WeakPolarHBondContact O-CG 3.22Å; D243-K256 WeakPolarHBondContact OD1-CD 3.41Å; D243-K256 WeakPolarHBondContact OD1-CE 3.35Å; D243-K256 IonicContact OD1-NZ 2.67Å; D243-K256 PolarHBondContact OD1-NZ 3.48Å; D243-K256 IonicContact OD2-NZ 2.71Å; D243-K256 PolarHBondContact OD2-NZ 2.66Å; D243-V257 PolarHBondContact N-O 3.13Å
244S95.3Very high93.1Very high2 Ų252.9 Ų52.91%0.01427%0.272CS..PPolyproline II helixtrans-63.9146.2173.1-62.80000112.2N241 E242 K256 V257 E301N241-S244 WeakPolarHBondContact O-CB 3.27Å; N241-S244 PolarHBondContact O-OG 2.81Å; N241-S244 VanDerWaalsContact O-OG 3.06Å; E242-S244 PolarHBondContact O-N 2.88Å; S244-K256 CarbonylContact O-C 3.57Å; S244-K256 WeakPolarHBondContact O-CA 3.27Å; S244-V257 WeakPolarHBondContact O-CG2 3.43Å; S244-V257 PolarHBondContact O-N 3.18Å; S244-E301 PolarHBondContact OG-N 3.19Å; S244-E301 VanDerWaalsContact OG-N 3.13Å; S244-E301 PolarHBondContact OG-O 2.78Å
245I95.7Very high93.1Very high20 Ų2050.2 Ų50.210%0.10326%0.26CS..EExtended strand (participates in β ladder)trans-99130.5179.8-57.7177000110V205 F247 A253 Y299V205-I245 HydrophobicContact CG1-CD1 4Å; V205-I245 HydrophobicContact CG1-CG2 3.97Å; I245-F247 HydrophobicContact CB-CE2 4.08Å; I245-F247 HydrophobicContact CB-CZ 4.08Å; I245-F247 HydrophobicContact CG2-CE1 4.09Å; I245-F247 HydrophobicContact CG2-CE2 3.83Å; I245-F247 HydrophobicContact CG2-CZ 3.58Å; I245-F247 WeakPolarHBondContact O-CD2 3.27Å; I245-F247 VanDerWaalsContact O-CE2 3.22Å; I245-F247 WeakPolarHBondContact O-CE2 3.22Å; I245-A253 HydrophobicContact CG2-CB 3.89Å; I245-Y299 HydrophobicContact CD1-CD1 3.74Å; I245-Y299 HydrophobicContact CD1-CE1 4.46Å; I245-Y299 HydrophobicContact CD1-CG 4.33Å; I245-Y299 PolarHBondContact N-O 2.85Å
246L96Very high93.4Very high0 Ų045.5 Ų45.50%024%0.239CC..EExtended strand (participates in β ladder)trans-100.6150.1174.1-58.9-170.6000111.6V218 I231 L240 V254 G255 V257 L271 F292V218-L246 HydrophobicContact CG1-CD1 4.29Å; V218-L246 HydrophobicContact CG1-CD2 3.94Å; I231-L246 HydrophobicContact CD1-CD1 3.62Å; L240-L246 HydrophobicContact CD1-CD2 3.69Å; L246-V254 WeakPolarHBondContact O-CB 3.33Å; L246-V254 PolarHBondContact O-N 2.8Å; L246-G255 PolarHBondContact N-O 3.15Å; L246-V257 HydrophobicContact CD1-CG2 4.21Å; L246-V257 HydrophobicContact CD2-CG2 4.42Å; L246-V257 HydrophobicContact CG-CG2 4.05Å; L246-L271 HydrophobicContact CD1-CD1 4.42Å; L246-L271 HydrophobicContact CD1-CD2 4.09Å; L246-L271 HydrophobicContact CD1-CG 4.49Å; L246-L271 HydrophobicContact CG-CD2 4.36Å; L246-F292 HydrophobicContact CD2-CB 4.39Å
247F95.9Very high94Very high0 Ų039.3 Ų39.30%021%0.207CC..EExtended strand (participates in β ladder)trans-127.8155.5-172.8-59.8-91.6000111.5L209 L215 I245 V252 A253 Y291 A293 Y299L209-F247 HydrophobicContact CD1-CD1 3.76Å; L209-F247 HydrophobicContact CD1-CD2 4.11Å; L209-F247 HydrophobicContact CD1-CE1 3.79Å; L209-F247 HydrophobicContact CD1-CE2 4.13Å; L209-F247 HydrophobicContact CD1-CG 3.95Å; L209-F247 HydrophobicContact CD1-CZ 3.98Å; L209-F247 HydrophobicContact CD2-CD1 4.27Å; L209-F247 HydrophobicContact CD2-CE1 3.5Å; L209-F247 HydrophobicContact CD2-CZ 3.65Å; L209-F247 HydrophobicContact CG-CD1 3.69Å; L209-F247 HydrophobicContact CG-CE1 3.45Å; L209-F247 VanDerWaalsContact CG-CE1 3.45Å; L209-F247 HydrophobicContact CG-CG 4.39Å; L209-F247 HydrophobicContact CG-CZ 3.96Å; L215-F247 HydrophobicContact CD2-CB 3.81Å; L215-F247 HydrophobicContact CD2-CD2 4.35Å; L215-F247 HydrophobicContact CD2-CG 4.18Å; I245-F247 HydrophobicContact CB-CE2 4.08Å; I245-F247 HydrophobicContact CB-CZ 4.08Å; I245-F247 HydrophobicContact CG2-CE1 4.09Å; I245-F247 HydrophobicContact CG2-CE2 3.83Å; I245-F247 HydrophobicContact CG2-CZ 3.58Å; I245-F247 WeakPolarHBondContact O-CD2 3.27Å; I245-F247 VanDerWaalsContact O-CE2 3.22Å; I245-F247 WeakPolarHBondContact O-CE2 3.22Å; F247-V252 WeakPolarHBondContact CA-O 3.37Å; F247-A253 HydrophobicContact CD1-CB 3.95Å; F247-A253 HydrophobicContact CE1-CB 3.74Å; F247-Y291 PolarHBondContact N-O 3.14Å; F247-Y291 PolarHBondContact O-N 3.43Å; F247-A293 HydrophobicContact CD2-CB 4.44Å; F247-A293 HydrophobicContact CE2-CB 4.04Å; F247-Y299 AromaticContact CZ-CD2 3.95Å; F247-Y299 HydrophobicContact CZ-CD2 3.95Å; F247-Y299 HydrophobicContact CZ-CG 4.15Å
248R95.1Very high94.4Very high79 Ų7941.6 Ų41.630%0.29821%0.214SC..  trans-82.6168.9167.3-93.5171.758.8160.72.5111.4D250 R251 V252 V254 K282 G283R248-D250 IonicContact CZ-OD2 3.96Å; R248-D250 IonicContact NE-OD2 2.69Å; R248-D250 PolarHBondContact NE-OD2 2.89Å; R248-D250 IonicContact NH2-OD2 2.69Å; R248-D250 PolarHBondContact NH2-OD2 3.02Å; R248-D250 PolarHBondContact O-N 3.34Å; R248-R251 PolarHBondContact O-N 3.18Å; R248-R251 VanDerWaalsContact O-N 3.15Å; R248-V252 PolarHBondContact N-O 2.83Å; R248-V254 HydrophobicContact CB-CG2 4.38Å; R248-V254 HydrophobicContact CG-CG2 3.84Å; R248-K282 VanDerWaalsContact CD-O 3.27Å; R248-K282 WeakPolarHBondContact CD-O 3.48Å; R248-K282 PolarHBondContact NH1-O 3.09Å; R248-G283 VanDerWaalsContact NH1-CA 3.35Å
249S93.3Very high94.6Very high71 Ų7144.2 Ų44.250%0.49722%0.223SC..THydrogen-bonded Turntrans-45.2-33.5164.746.20000113.2R251S249-R251 PolarHBondContact O-N 2.87Å
250D93.1Very high94.7Very high84 Ų8445.2 Ų45.245%0.44923%0.228SC..THydrogen-bonded Turntrans-88.616.4-170.3-33.7-46.1000112.3R248 V252R248-D250 IonicContact CZ-OD2 3.96Å; R248-D250 IonicContact NE-OD2 2.69Å; R248-D250 PolarHBondContact NE-OD2 2.89Å; R248-D250 IonicContact NH2-OD2 2.69Å; R248-D250 PolarHBondContact NH2-OD2 3.02Å; R248-D250 PolarHBondContact O-N 3.34Å; D250-V252 PolarHBondContact O-N 3.38Å; D250-V252 VanDerWaalsContact O-N 3.09Å
251R93.8Very high94.6Very high74 Ų7449 Ų4928%0.27924%0.244SC..SBendtrans65.12.6179.7-49-170.4168.1-102.1-1.5116S208 L209 P210 E211 A213 L215 R248 S249S208-R251 WeakPolarHBondContact CA-O 3.49Å; L209-R251 HydrophobicContact CB-CB 4.26Å; L209-R251 PolarHBondContact N-O 3.34Å; P210-R251 PolarHBondContact O-NH1 3.17Å; E211-R251 PolarHBondContact O-NH1 3.33Å; E211-R251 VanDerWaalsContact O-NH1 3.13Å; E211-R251 PolarHBondContact O-NH2 3.49Å; A213-R251 PolarHBondContact O-NH1 3.2Å; L215-R251 HydrophobicContact CD1-CB 4.16Å; L215-R251 HydrophobicContact CD1-CG 3.67Å; R248-R251 PolarHBondContact O-N 3.18Å; R248-R251 VanDerWaalsContact O-N 3.15Å; S249-R251 PolarHBondContact O-N 2.87Å
252V94.3Very high94.6Very high70 Ų7049.1 Ų49.142%0.42426%0.258SS..BIsolated β-bridgetrans-84.1136.2177.5-1780000110.9F247 R248 D250F247-V252 WeakPolarHBondContact CA-O 3.37Å; R248-V252 PolarHBondContact N-O 2.83Å; D250-V252 PolarHBondContact O-N 3.38Å; D250-V252 VanDerWaalsContact O-N 3.09Å
253A94.6Very high94.5Very high1 Ų147.9 Ų47.91%0.00826%0.258CS..EExtended strand (participates in β ladder)trans-67.9132.117500000111.7V205 V207 I245 F247 K282V205-A253 HydrophobicContact CG1-CB 3.72Å; V207-A253 HydrophobicContact CB-CB 4.04Å; V207-A253 WeakPolarHBondContact O-CB 3.5Å; V207-A253 PolarHBondContact O-N 3.04Å; I245-A253 HydrophobicContact CG2-CB 3.89Å; F247-A253 HydrophobicContact CD1-CB 3.95Å; F247-A253 HydrophobicContact CE1-CB 3.74Å; A253-K282 PolarHBondContact O-NZ 2.88Å
254V94Very high94.1Very high2 Ų246.5 Ų46.51%0.01225%0.253CS..EExtended strand (participates in β ladder)trans-88-56.7179.5177.50000109.3L246 R248 L271 F273 K282 L284L246-V254 WeakPolarHBondContact O-CB 3.33Å; L246-V254 PolarHBondContact O-N 2.8Å; R248-V254 HydrophobicContact CB-CG2 4.38Å; R248-V254 HydrophobicContact CG-CG2 3.84Å; V254-L271 HydrophobicContact CB-CD1 4.42Å; V254-L271 HydrophobicContact CG1-CD1 3.59Å; V254-F273 HydrophobicContact CG1-CZ 4.12Å; V254-K282 WeakPolarHBondContact O-CD 3.5Å; V254-K282 WeakPolarHBondContact O-CE 3.28Å; V254-K282 PolarHBondContact O-NZ 2.98Å; V254-L284 HydrophobicContact CG1-CD1 3.53Å; V254-L284 HydrophobicContact CG1-CD2 3.75Å; V254-L284 HydrophobicContact CG1-CG 3.95Å; V254-L284 HydrophobicContact CG2-CD2 4.28Å
255G94.3Very high93.6Very high8 Ų850.4 Ų50.48%0.08228%0.28CS..EExtended strand (participates in β ladder)trans177177.4-176.100000111.6L246L246-G255 PolarHBondContact N-O 3.15Å
256K95.2Very high93.5Very high81 Ų8151.2 Ų51.235%0.35229%0.287SS..EExtended strand (participates in β ladder)trans-91.2140.1177.7-144.3-169.2-166.2-163.80110V205 D243 S244 F258 L271V205-K256 HydrophobicContact CG2-CB 4.4Å; D243-K256 HydrophobicContact CB-CD 4.42Å; D243-K256 VanDerWaalsContact O-CE 3.28Å; D243-K256 WeakPolarHBondContact O-CE 3.41Å; D243-K256 WeakPolarHBondContact O-CG 3.22Å; D243-K256 WeakPolarHBondContact OD1-CD 3.41Å; D243-K256 WeakPolarHBondContact OD1-CE 3.35Å; D243-K256 IonicContact OD1-NZ 2.67Å; D243-K256 PolarHBondContact OD1-NZ 3.48Å; D243-K256 IonicContact OD2-NZ 2.71Å; D243-K256 PolarHBondContact OD2-NZ 2.66Å; S244-K256 CarbonylContact O-C 3.57Å; S244-K256 WeakPolarHBondContact O-CA 3.27Å; K256-F258 PolarHBondContact O-N 2.84Å; K256-L271 WeakPolarHBondContact O-CD2 3.46Å
257V96.2Very high93.4Very high1 Ų151.5 Ų51.51%0.00629%0.289CS..EExtended strand (participates in β ladder)trans-64.1117.3170.8175.80000108.5D243 S244 L246 V260 Y269 L271D243-V257 PolarHBondContact N-O 3.13Å; S244-V257 WeakPolarHBondContact O-CG2 3.43Å; S244-V257 PolarHBondContact O-N 3.18Å; L246-V257 HydrophobicContact CD1-CG2 4.21Å; L246-V257 HydrophobicContact CD2-CG2 4.42Å; L246-V257 HydrophobicContact CG-CG2 4.05Å; V257-V260 HydrophobicContact CG1-CG2 3.59Å; V257-Y269 HydrophobicContact CG1-CD1 4.23Å; V257-Y269 HydrophobicContact CG2-CD1 4.45Å; V257-L271 HydrophobicContact CG2-CD2 4.33Å
258F95.6Very high93.5Very high79 Ų7953.6 Ų53.635%0.34630%0.298SS..EExtended strand (participates in β ladder)trans-87.9-34.2-179.6172.8-102.7000112.1L199 K256 V270 R272L199-F258 HydrophobicContact CD1-CE2 4.36Å; L199-F258 HydrophobicContact CD1-CZ 3.85Å; K256-F258 PolarHBondContact O-N 2.84Å; F258-V270 HydrophobicContact CD1-CB 4.48Å; F258-V270 HydrophobicContact CD1-CG1 4.08Å; F258-V270 PolarHBondContact N-O 3.11Å; F258-R272 HydrophobicContact CB-CB 3.98Å; F258-R272 HydrophobicContact CD1-CB 4.22Å; F258-R272 HydrophobicContact CD2-CB 4.1Å; F258-R272 HydrophobicContact CG-CB 3.82Å
259E94.9Very high93.6Very high87 Ų8749.9 Ų49.941%0.40728%0.284SS..EExtended strand (participates in β ladder)trans-156149.3-177-168.5-174.9160.800109.8V270E259-V270 HydrophobicContact CB-CB 3.99Å; E259-V270 HydrophobicContact CB-CG2 3.97Å; E259-V270 PolarHBondContact O-N 2.99Å
260V95Very high93.7Very high34 Ų3446.8 Ų46.821%0.20626%0.262CS..EExtended strand (participates in β ladder)trans-127.3118.7176.3-168.70000109.7E242 V257 P267 F268 Y269 I303E242-V260 HydrophobicContact CG-CG2 4.15Å; V257-V260 HydrophobicContact CG1-CG2 3.59Å; V260-P267 HydrophobicContact CG1-CB 3.85Å; V260-F268 WeakPolarHBondContact CA-O 3.39Å; V260-Y269 HydrophobicContact CB-CD1 4.49Å; V260-Y269 HydrophobicContact CG1-CD1 3.91Å; V260-Y269 HydrophobicContact CG1-CE1 3.88Å; V260-Y269 HydrophobicContact CG2-CD1 3.98Å; V260-Y269 HydrophobicContact CG2-CE1 4.37Å; V260-I303 HydrophobicContact CB-CD1 4.47Å; V260-I303 HydrophobicContact CG1-CD1 4.12Å
261F94.4Very high93.9Very high79 Ų7942.8 Ų42.835%0.34624%0.241SC..EExtended strand (participates in β ladder)trans-134.9167.7-17473.8-86000113.7I230 F268 V270I230-F261 HydrophobicContact CG2-CE1 4.27Å; I230-F261 HydrophobicContact CG2-CZ 3.95Å; F261-F268 HydrophobicContact CD1-CB 3.87Å; F261-F268 HydrophobicContact CD2-CB 4.11Å; F261-F268 HydrophobicContact CD2-CD2 4.41Å; F261-F268 HydrophobicContact CE1-CB 3.46Å; F261-F268 VanDerWaalsContact CE1-CB 3.46Å; F261-F268 HydrophobicContact CE1-CG 4.47Å; F261-F268 HydrophobicContact CE2-CB 3.73Å; F261-F268 HydrophobicContact CE2-CD2 4.07Å; F261-F268 AromaticContact CE2-CG 3.97Å; F261-F268 HydrophobicContact CE2-CG 3.97Å; F261-F268 HydrophobicContact CG-CB 4.18Å; F261-F268 HydrophobicContact CZ-CB 3.39Å; F261-F268 HydrophobicContact CZ-CD2 4.5Å; F261-F268 AromaticContact CZ-CG 3.93Å; F261-F268 HydrophobicContact CZ-CG 3.93Å; F261-F268 PolarHBondContact N-O 3.45Å; F261-F268 PolarHBondContact O-N 3.07Å; F261-V270 HydrophobicContact CD1-CG2 3.87Å; F261-V270 HydrophobicContact CE1-CG2 3.61Å
262G93.9Very high93.9Very high52 Ų5240.1 Ų40.154%0.53623%0.231SC..SBendtrans84.3-165.1178.500000114.7
263P90.6Very high93.9Very high77 Ų7737.1 Ų37.150%0.521%0.212SC..  trans-67.2135.7-171.9-20.933.2000112.9C265 S266 P267P263-C265 PolarHBondContact O-N 2.78Å; P263-S266 CarbonylContact O-C 3.58Å; P263-S266 PolarHBondContact O-N 3.44Å; P263-P267 WeakPolarHBondContact O-CA 3.18Å
264V84.9Confident93.7Very high75 Ų7540.1 Ų40.146%0.45523%0.228SC..THydrogen-bonded Turntrans-59.2-24.4-178.3-174.80000113.6M305V264-M305 HydrophobicContact CG1-CG 3.7Å; V264-M305 HydrophobicContact CG1-SD 3.69Å
265C85.9Confident93.6Very high84 Ų8442 Ų4257%0.56824%0.241SC*.THydrogen-bonded Turntrans-83.6-11.3176.2-60.30000113.9P263P263-C265 PolarHBondContact O-N 2.78Å
266S91.9Very high93.4Very high37 Ų3744.6 Ų44.626%0.25926%0.258SS..SBendtrans-157.565.8178.562.60000110.5S233 P263S233-S266 VanDerWaalsContact OG-CA 3.28Å; S233-S266 WeakPolarHBondContact OG-CA 3.43Å; P263-S266 CarbonylContact O-C 3.58Å; P263-S266 PolarHBondContact O-N 3.44Å
267P95.3Very high93.2Very high6 Ų646.1 Ų46.14%0.03927%0.27CS..  trans-64.1157.7-178.726.8-36.3000112.4S233 A239 V260 P263 Y269S233-P267 WeakPolarHBondContact CB-O 3.38Å; S233-P267 PolarHBondContact N-O 2.87Å; S233-P267 VanDerWaalsContact N-O 3.08Å; S233-P267 VanDerWaalsContact OG-CD 3.23Å; S233-P267 WeakPolarHBondContact OG-CD 3.23Å; S233-P267 VanDerWaalsContact OG-N 3.07Å; S233-P267 PolarHBondContact OG-O 2.83Å; A239-P267 HydrophobicContact CB-CG 4.14Å; V260-P267 HydrophobicContact CG1-CB 3.85Å; P263-P267 WeakPolarHBondContact O-CA 3.18Å; P267-Y269 HydrophobicContact CB-CE1 4.43Å; P267-Y269 HydrophobicContact CG-CE1 4.23Å; P267-Y269 HydrophobicContact CG-CE2 4.39Å
268F96.8Very high93Very high45 Ų4547.5 Ų47.520%0.19728%0.277CS..EExtended strand (participates in β ladder)trans-106.2135.9165.6-63.9-94.6000108.9I230 I231 Q232 V260 F261I230-F268 HydrophobicContact CG2-CB 4.39Å; I230-F268 HydrophobicContact CG2-CD1 4.08Å; I231-F268 CarbonylContact O-C 3.55Å; I231-F268 VanDerWaalsContact O-CA 3.27Å; I231-F268 WeakPolarHBondContact O-CA 3.35Å; Q232-F268 HydrophobicContact CB-CD1 3.91Å; Q232-F268 HydrophobicContact CB-CE1 3.72Å; Q232-F268 HydrophobicContact CG-CD1 4.12Å; Q232-F268 HydrophobicContact CG-CE1 3.61Å; Q232-F268 HydrophobicContact CG-CZ 4.1Å; V260-F268 WeakPolarHBondContact CA-O 3.39Å; F261-F268 HydrophobicContact CD1-CB 3.87Å; F261-F268 HydrophobicContact CD2-CB 4.11Å; F261-F268 HydrophobicContact CD2-CD2 4.41Å; F261-F268 HydrophobicContact CE1-CB 3.46Å; F261-F268 VanDerWaalsContact CE1-CB 3.46Å; F261-F268 HydrophobicContact CE1-CG 4.47Å; F261-F268 HydrophobicContact CE2-CB 3.73Å; F261-F268 HydrophobicContact CE2-CD2 4.07Å; F261-F268 AromaticContact CE2-CG 3.97Å; F261-F268 HydrophobicContact CE2-CG 3.97Å; F261-F268 HydrophobicContact CG-CB 4.18Å; F261-F268 HydrophobicContact CZ-CB 3.39Å; F261-F268 HydrophobicContact CZ-CD2 4.5Å; F261-F268 AromaticContact CZ-CG 3.93Å; F261-F268 HydrophobicContact CZ-CG 3.93Å; F261-F268 PolarHBondContact N-O 3.45Å; F261-F268 PolarHBondContact O-N 3.07Å
269Y97.3Very high92.9Very high0 Ų043.9 Ų43.90%026%0.261CS..EExtended strand (participates in β ladder)trans-108132.9177.8-51.2-75.1000109.7V218 I231 L240 V257 V260 P267V218-Y269 HydrophobicContact CG2-CD2 4.46Å; V218-Y269 HydrophobicContact CG2-CE2 3.65Å; I231-Y269 HydrophobicContact CG2-CD2 4.15Å; I231-Y269 PolarHBondContact N-O 3.29Å; I231-Y269 PolarHBondContact O-N 2.8Å; L240-Y269 HydrophobicContact CB-CE1 3.79Å; L240-Y269 HydrophobicContact CG-CE1 4.4Å; L240-Y269 PolarHBondContact N-OH 2.92Å; V257-Y269 HydrophobicContact CG1-CD1 4.23Å; V257-Y269 HydrophobicContact CG2-CD1 4.45Å; V260-Y269 HydrophobicContact CB-CD1 4.49Å; V260-Y269 HydrophobicContact CG1-CD1 3.91Å; V260-Y269 HydrophobicContact CG1-CE1 3.88Å; V260-Y269 HydrophobicContact CG2-CD1 3.98Å; V260-Y269 HydrophobicContact CG2-CE1 4.37Å; P267-Y269 HydrophobicContact CB-CE1 4.43Å; P267-Y269 HydrophobicContact CG-CE1 4.23Å; P267-Y269 HydrophobicContact CG-CE2 4.39Å
270V96.9Very high92.7Very high6 Ų643.8 Ų43.84%0.03627%0.269CS..EExtended strand (participates in β ladder)trans-96.4131.6171-1750000109.3L228 V229 F258 E259 F261L228-V270 HydrophobicContact CB-CG1 4.17Å; L228-V270 HydrophobicContact CD1-CG1 4.22Å; L228-V270 HydrophobicContact CD2-CG1 3.98Å; L228-V270 HydrophobicContact CG-CG1 4.35Å; V229-V270 WeakPolarHBondContact O-CA 3.46Å; F258-V270 HydrophobicContact CD1-CB 4.48Å; F258-V270 HydrophobicContact CD1-CG1 4.08Å; F258-V270 PolarHBondContact N-O 3.11Å; E259-V270 HydrophobicContact CB-CB 3.99Å; E259-V270 HydrophobicContact CB-CG2 3.97Å; E259-V270 PolarHBondContact O-N 2.99Å; F261-V270 HydrophobicContact CD1-CG2 3.87Å; F261-V270 HydrophobicContact CE1-CG2 3.61Å
271L95.8Very high92.5Very high0 Ų046.4 Ų46.40%029%0.29CS..EExtended strand (participates in β ladder)trans-106.9128.3160.6-57.3-179.9000108.6L228 V229 I231 L246 V254 K256 V257 F273L228-L271 CarbonylContact C-O 3.56Å; L228-L271 WeakPolarHBondContact CA-O 3.29Å; V229-L271 HydrophobicContact CB-CB 4.36Å; V229-L271 PolarHBondContact N-O 3.14Å; V229-L271 PolarHBondContact O-N 3.11Å; I231-L271 HydrophobicContact CD1-CD1 3.62Å; I231-L271 HydrophobicContact CD1-CG 3.83Å; L246-L271 HydrophobicContact CD1-CD1 4.42Å; L246-L271 HydrophobicContact CD1-CD2 4.09Å; L246-L271 HydrophobicContact CD1-CG 4.49Å; L246-L271 HydrophobicContact CG-CD2 4.36Å; V254-L271 HydrophobicContact CB-CD1 4.42Å; V254-L271 HydrophobicContact CG1-CD1 3.59Å; K256-L271 WeakPolarHBondContact O-CD2 3.46Å; V257-L271 HydrophobicContact CG2-CD2 4.33Å; L271-F273 HydrophobicContact CB-CE2 3.64Å; L271-F273 HydrophobicContact CB-CZ 4.05Å; L271-F273 HydrophobicContact CD1-CE2 4.44Å; L271-F273 HydrophobicContact CD1-CZ 4.22Å
272R94.7Very high92.3Very high19 Ų1944 Ų447%0.07228%0.279CS..EExtended strand (participates in β ladder)trans-101.5134.7174-178.3173.9169.9-111.8-3.2110.4L196 L199 P200 V202 L228 F258L196-R272 PolarHBondContact O-NH2 3.5Å; L199-R272 PolarHBondContact O-NH2 2.93Å; P200-R272 PolarHBondContact O-NH1 2.87Å; P200-R272 PolarHBondContact O-NH2 2.91Å; V202-R272 HydrophobicContact CG2-CB 4.12Å; V202-R272 HydrophobicContact CG2-CG 3.79Å; L228-R272 HydrophobicContact CD2-CB 3.65Å; L228-R272 HydrophobicContact CD2-CG 3.7Å; F258-R272 HydrophobicContact CB-CB 3.98Å; F258-R272 HydrophobicContact CD1-CB 4.22Å; F258-R272 HydrophobicContact CD2-CB 4.1Å; F258-R272 HydrophobicContact CG-CB 3.82Å
273F93.4Very high92.2Very high7 Ų742.9 Ų42.93%0.03127%0.268CS..  trans-118.9170.2174.7-62.6-85.9000110.3Q227 V229 V254 L271 Q278 I279 K282 L284Q227-F273 VanDerWaalsContact CD-O 3.27Å; Q227-F273 WeakPolarHBondContact CG-O 3.14Å; Q227-F273 PolarHBondContact O-N 2.87Å; Q227-F273 PolarHBondContact OE1-O 3.17Å; V229-F273 HydrophobicContact CB-CE2 4.26Å; V229-F273 HydrophobicContact CG2-CD2 4.07Å; V229-F273 HydrophobicContact CG2-CE2 3.63Å; V254-F273 HydrophobicContact CG1-CZ 4.12Å; L271-F273 HydrophobicContact CB-CE2 3.64Å; L271-F273 HydrophobicContact CB-CZ 4.05Å; L271-F273 HydrophobicContact CD1-CE2 4.44Å; L271-F273 HydrophobicContact CD1-CZ 4.22Å; F273-Q278 HydrophobicContact CB-CB 4.26Å; F273-Q278 HydrophobicContact CD1-CB 4.13Å; F273-I279 HydrophobicContact CB-CG1 4.12Å; F273-I279 HydrophobicContact CD2-CD1 4.02Å; F273-I279 HydrophobicContact CD2-CG1 3.48Å; F273-I279 VanDerWaalsContact CD2-CG1 3.48Å; F273-I279 HydrophobicContact CE2-CG1 4.04Å; F273-I279 HydrophobicContact CG-CG1 3.8Å; F273-K282 HydrophobicContact CD1-CD 4.22Å; F273-K282 HydrophobicContact CE1-CD 3.61Å; F273-L284 HydrophobicContact CE2-CD1 4.1Å; F273-L284 HydrophobicContact CZ-CD1 3.91Å
274N91.8Very high92.3Very high64 Ų6439.6 Ų39.634%0.34225%0.246SC..SBendtrans-88.6-10.9175.8-58.6-48.5000112.9A201 V202 Q227A201-N274 WeakPolarHBondContact CA-OD1 3.19Å; V202-N274 PolarHBondContact N-OD1 3.13Å; V202-N274 PolarHBondContact O-ND2 3.22Å; Q227-N274 PolarHBondContact OE1-O 2.82Å
275S90.8Very high92.7Very high40 Ų4040 Ų4028%0.2825%0.248SC..  trans-162.3161.1171.472.50000111.9D277 Q278S275-D277 PolarHBondContact O-N 2.89Å; S275-D277 PolarHBondContact OG-N 2.85Å; S275-Q278 PolarHBondContact O-N 2.91Å; S275-Q278 PolarHBondContact OG-N 2.93Å
276S90.4Very high93.2Very high63 Ų6341.5 Ų41.544%0.44125%0.247SC..Hα-helixtrans-59.6-24.5167.951.30000113.5I279 S280S276-I279 WeakPolarHBondContact O-CB 3.49Å; S276-I279 PolarHBondContact O-N 3.32Å; S276-S280 PolarHBondContact O-N 3.26Å; S276-S280 PolarHBondContact O-OG 2.96Å
277D91.7Very high93.4Very high113 Ų11342.4 Ų42.460%0.60426%0.262SS*.Hα-helixtrans-75.6-31.5-177.6-56.1-18.6000111S275 I279 S280 S281S275-D277 PolarHBondContact O-N 2.89Å; S275-D277 PolarHBondContact OG-N 2.85Å; D277-I279 VanDerWaalsContact C-N 3.34Å; D277-S280 PolarHBondContact O-N 3.43Å; D277-S281 WeakPolarHBondContact O-CB 3.43Å; D277-S281 PolarHBondContact O-N 3.05Å; D277-S281 PolarHBondContact O-OG 2.95Å
278Q91.4Very high93.3Very high31 Ų3143.8 Ų43.815%0.14527%0.272CS..Hα-helixtrans-65-36.3170.2-77.5-173.7-41.800112.3E204 F273 S275 S280 S281 K282E204-Q278 PolarHBondContact OE2-NE2 3.31Å; F273-Q278 HydrophobicContact CB-CB 4.26Å; F273-Q278 HydrophobicContact CD1-CB 4.13Å; S275-Q278 PolarHBondContact O-N 2.91Å; S275-Q278 PolarHBondContact OG-N 2.93Å; Q278-S280 VanDerWaalsContact C-N 3.31Å; Q278-S280 PolarHBondContact O-N 3.48Å; Q278-S281 WeakPolarHBondContact CA-OG 3.36Å; Q278-S281 PolarHBondContact O-N 2.83Å; Q278-S281 PolarHBondContact O-OG 2.89Å; Q278-K282 VanDerWaalsContact O-CB 3.29Å; Q278-K282 WeakPolarHBondContact O-CB 3.47Å; Q278-K282 WeakPolarHBondContact O-CG 3.36Å; Q278-K282 PolarHBondContact O-N 2.91Å
279I92.2Very high93.3Very high3 Ų344.3 Ų44.32%0.01528%0.279CS..Hα-helixtrans-61.4-45175-57.1175.4000109.7I224 V229 F273 S276 D277 G283 L284I224-I279 HydrophobicContact CD1-CG2 3.99Å; I224-I279 HydrophobicContact CG2-CD1 3.83Å; I224-I279 HydrophobicContact CG2-CG2 4.16Å; V229-I279 HydrophobicContact CG2-CB 4.44Å; V229-I279 HydrophobicContact CG2-CD1 3.7Å; V229-I279 HydrophobicContact CG2-CG1 3.92Å; V229-I279 HydrophobicContact CG2-CG2 3.67Å; F273-I279 HydrophobicContact CB-CG1 4.12Å; F273-I279 HydrophobicContact CD2-CD1 4.02Å; F273-I279 HydrophobicContact CD2-CG1 3.48Å; F273-I279 VanDerWaalsContact CD2-CG1 3.48Å; F273-I279 HydrophobicContact CE2-CG1 4.04Å; F273-I279 HydrophobicContact CG-CG1 3.8Å; S276-I279 WeakPolarHBondContact O-CB 3.49Å; S276-I279 PolarHBondContact O-N 3.32Å; D277-I279 VanDerWaalsContact C-N 3.34Å; I279-G283 PolarHBondContact O-N 3.28Å; I279-L284 HydrophobicContact CG2-CB 3.85Å; I279-L284 HydrophobicContact CG2-CD1 4.23Å; I279-L284 PolarHBondContact O-N 2.91Å
280S92.1Very high93.3Very high84 Ų8444.3 Ų44.359%0.58728%0.279SS*.Hα-helixtrans-70.5-39.4179.6-57.70000112.9S276 D277 Q278 G283S276-S280 PolarHBondContact O-N 3.26Å; S276-S280 PolarHBondContact O-OG 2.96Å; D277-S280 PolarHBondContact O-N 3.43Å; Q278-S280 VanDerWaalsContact C-N 3.31Å; Q278-S280 PolarHBondContact O-N 3.48Å; S280-G283 WeakPolarHBondContact O-CA 3.32Å; S280-G283 PolarHBondContact O-N 2.82Å
281S91.4Very high93.3Very high90 Ų9046.7 Ų46.763%0.62929%0.288SS*.Hα-helixtrans-71.4-37.1178.871.90000112.4D277 Q278 G283D277-S281 WeakPolarHBondContact O-CB 3.43Å; D277-S281 PolarHBondContact O-N 3.05Å; D277-S281 PolarHBondContact O-OG 2.95Å; Q278-S281 WeakPolarHBondContact CA-OG 3.36Å; Q278-S281 PolarHBondContact O-N 2.83Å; Q278-S281 PolarHBondContact O-OG 2.89Å; S281-G283 PolarHBondContact O-N 3.09Å
282K90.3Very high93.3Very high28 Ų2846.7 Ų46.712%0.12229%0.288CS..THydrogen-bonded Turntrans-72.2-1.4167.4-71.5164.4169.2-81.40112.6E204 V205 R248 A253 V254 F273 Q278 L284E204-K282 WeakPolarHBondContact OE1-CE 3.44Å; E204-K282 IonicContact OE1-NZ 3.15Å; V205-K282 PolarHBondContact O-NZ 3.25Å; R248-K282 VanDerWaalsContact CD-O 3.27Å; R248-K282 WeakPolarHBondContact CD-O 3.48Å; R248-K282 PolarHBondContact NH1-O 3.09Å; A253-K282 PolarHBondContact O-NZ 2.88Å; V254-K282 WeakPolarHBondContact O-CD 3.5Å; V254-K282 WeakPolarHBondContact O-CE 3.28Å; V254-K282 PolarHBondContact O-NZ 2.98Å; F273-K282 HydrophobicContact CD1-CD 4.22Å; F273-K282 HydrophobicContact CE1-CD 3.61Å; Q278-K282 VanDerWaalsContact O-CB 3.29Å; Q278-K282 WeakPolarHBondContact O-CB 3.47Å; Q278-K282 WeakPolarHBondContact O-CG 3.36Å; Q278-K282 PolarHBondContact O-N 2.91Å; K282-L284 VanDerWaalsContact C-N 3.34Å; K282-L284 PolarHBondContact O-N 3.06Å
283G90.1Very high93.3Very high29 Ų2945.8 Ų45.830%0.29928%0.284SS..THydrogen-bonded Turntrans59.539.917200000113.7R248 I279 S280 S281R248-G283 VanDerWaalsContact NH1-CA 3.35Å; I279-G283 PolarHBondContact O-N 3.28Å; S280-G283 WeakPolarHBondContact O-CA 3.32Å; S280-G283 PolarHBondContact O-N 2.82Å; S281-G283 PolarHBondContact O-N 3.09Å
284L93Very high93.3Very high7 Ų746.8 Ų46.84%0.03729%0.292CS..  trans-82.2134.9166.8-64.5176000109.7V221 V229 V254 F273 I279 K282 V290V221-L284 HydrophobicContact CG2-CD2 4.37Å; V229-L284 HydrophobicContact CB-CD1 4.4Å; V229-L284 HydrophobicContact CG1-CD1 4.21Å; V229-L284 HydrophobicContact CG2-CD1 3.89Å; V254-L284 HydrophobicContact CG1-CD1 3.53Å; V254-L284 HydrophobicContact CG1-CD2 3.75Å; V254-L284 HydrophobicContact CG1-CG 3.95Å; V254-L284 HydrophobicContact CG2-CD2 4.28Å; F273-L284 HydrophobicContact CE2-CD1 4.1Å; F273-L284 HydrophobicContact CZ-CD1 3.91Å; I279-L284 HydrophobicContact CG2-CB 3.85Å; I279-L284 HydrophobicContact CG2-CD1 4.23Å; I279-L284 PolarHBondContact O-N 2.91Å; K282-L284 VanDerWaalsContact C-N 3.34Å; K282-L284 PolarHBondContact O-N 3.06Å; L284-V290 HydrophobicContact CD2-CG1 4.3Å
285T94.3Very high93.3Very high83 Ų8347 Ų4751%0.50930%0.302SS..  trans-137.8156.8170.556.10000109.2V221 G287 S288V221-T285 WeakPolarHBondContact CB-O 3.46Å; T285-G287 PolarHBondContact O-N 2.88Å; T285-S288 WeakPolarHBondContact O-CB 3.23Å; T285-S288 PolarHBondContact O-N 3.46Å; T285-S288 PolarHBondContact O-OG 3.24Å; T285-S288 PolarHBondContact OG1-OG 3.01Å
286E95.6Very high93.3Very high116 Ų11647.8 Ų47.854%0.54230%0.303SS..THydrogen-bonded Turntrans-56.3137.6173.5-61.3-178.4153.200110.7V221 S223 I224 S288V221-E286 HydrophobicContact CG1-CG 4.48Å; S223-E286 WeakPolarHBondContact CA-OE1 3.44Å; S223-E286 PolarHBondContact OG-OE1 2.79Å; I224-E286 HydrophobicContact CD1-CG 4.27Å; I224-E286 HydrophobicContact CG1-CG 4.18Å; I224-E286 PolarHBondContact N-OE1 2.79Å; E286-S288 VanDerWaalsContact C-N 3.31Å; E286-S288 PolarHBondContact O-N 3.42Å
287G95.4Very high93.3Very high56 Ų5653.7 Ų53.758%0.57732%0.321SS*.THydrogen-bonded Turntrans81.5-9.2-171.100000115.9V221 T285 T289V221-G287 PolarHBondContact O-N 2.77Å; T285-G287 PolarHBondContact O-N 2.88Å; G287-T289 PolarHBondContact O-N 2.97Å
288S95.1Very high93.2Very high35 Ų3556.5 Ų56.525%0.24533%0.33CS..  trans-66.6129.5177.7-74.20000112.2T220 V221 T285 E286T220-S288 WeakPolarHBondContact CA-O 3.45Å; V221-S288 PolarHBondContact N-O 3.45Å; T285-S288 WeakPolarHBondContact O-CB 3.23Å; T285-S288 PolarHBondContact O-N 3.46Å; T285-S288 PolarHBondContact O-OG 3.24Å; T285-S288 PolarHBondContact OG1-OG 3.01Å; E286-S288 VanDerWaalsContact C-N 3.31Å; E286-S288 PolarHBondContact O-N 3.42Å
289T96.7Very high93.2Very high56 Ų5657.9 Ų57.934%0.34434%0.335SS..EExtended strand (participates in β ladder)trans-73.2133.3173.7-47.10000111P217 G219 G287 Y291P217-T289 HydrophobicContact CB-CG2 3.96Å; G219-T289 WeakPolarHBondContact O-CA 3.41Å; G287-T289 PolarHBondContact O-N 2.97Å; T289-Y291 HydrophobicContact CG2-CE1 4.43Å; T289-Y291 HydrophobicContact CG2-CE2 3.89Å; T289-Y291 WeakPolarHBondContact O-CE2 3.28Å
290V96.6Very high93.3Very high0 Ų058 Ų580%034%0.336CS..EExtended strand (participates in β ladder)trans-115.1155.4173.5-73.20000111V218 G219 I231 L284V218-V290 HydrophobicContact CG1-CB 4.38Å; V218-V290 HydrophobicContact CG1-CG2 3.7Å; V218-V290 PolarHBondContact N-O 2.92Å; G219-V290 PolarHBondContact N-O 2.88Å; G219-V290 WeakPolarHBondContact O-CG2 3.15Å; G219-V290 PolarHBondContact O-N 3.14Å; I231-V290 HydrophobicContact CB-CG2 4.43Å; I231-V290 HydrophobicContact CD1-CG1 4.32Å; I231-V290 HydrophobicContact CD1-CG2 3.99Å; I231-V290 HydrophobicContact CG1-CG2 4.1Å; I231-V290 HydrophobicContact CG2-CG2 3.47Å; I231-V290 VanDerWaalsContact CG2-CG2 3.47Å; L284-V290 HydrophobicContact CD2-CG1 4.3Å
291Y96.4Very high93.4Very high57 Ų5759.5 Ų59.522%0.22433%0.333CS..EExtended strand (participates in β ladder)trans-129.7159.6-167.7-59.6-100.8000111.1Q216 P217 F247 T289Q216-Y291 CarbonylContact O-C 3.49Å; Q216-Y291 WeakPolarHBondContact O-CA 3.41Å; Q216-Y291 WeakPolarHBondContact O-CB 3.17Å; P217-Y291 HydrophobicContact CB-CD1 4Å; P217-Y291 HydrophobicContact CB-CE1 3.89Å; F247-Y291 PolarHBondContact N-O 3.14Å; F247-Y291 PolarHBondContact O-N 3.43Å; T289-Y291 HydrophobicContact CG2-CE1 4.43Å; T289-Y291 HydrophobicContact CG2-CE2 3.89Å; T289-Y291 WeakPolarHBondContact O-CE2 3.28Å
292F95.9Very high93.4Very high0 Ų059 Ų590%032%0.318CS..EExtended strand (participates in β ladder)trans-132.6162.8175.375-74.7000110L215 Q216 V218 P238 L240 L246 P294 T300 Y302L215-F292 WeakPolarHBondContact CA-O 3.15Å; Q216-F292 HydrophobicContact CB-CD1 4.02Å; Q216-F292 HydrophobicContact CB-CE1 3.44Å; Q216-F292 VanDerWaalsContact CB-CE1 3.44Å; Q216-F292 HydrophobicContact CB-CZ 3.81Å; Q216-F292 PolarHBondContact N-O 3.29Å; Q216-F292 WeakPolarHBondContact O-CD1 3.39Å; Q216-F292 PolarHBondContact O-N 2.83Å; V218-F292 HydrophobicContact CB-CB 4.4Å; V218-F292 HydrophobicContact CB-CD1 3.66Å; V218-F292 HydrophobicContact CB-CE1 4.35Å; V218-F292 HydrophobicContact CB-CG 4.35Å; V218-F292 HydrophobicContact CG2-CD1 4.17Å; P238-F292 HydrophobicContact CG-CE2 4.28Å; P238-F292 HydrophobicContact CG-CZ 4.06Å; L240-F292 HydrophobicContact CD1-CB 3.86Å; L240-F292 HydrophobicContact CD1-CG 4.23Å; L240-F292 HydrophobicContact CD2-CD2 4Å; L240-F292 HydrophobicContact CD2-CE2 4.32Å; L240-F292 HydrophobicContact CD2-CG 4.43Å; L246-F292 HydrophobicContact CD2-CB 4.39Å; F292-P294 HydrophobicContact CD2-CB 4.34Å; F292-P294 HydrophobicContact CE2-CB 3.78Å; F292-P294 HydrophobicContact CE2-CG 4.3Å; F292-P294 HydrophobicContact CZ-CB 4.48Å; F292-P294 WeakPolarHBondContact O-CD 3.21Å; F292-T300 HydrophobicContact CD2-CG2 3.72Å; F292-T300 HydrophobicContact CE2-CG2 4.36Å; F292-Y302 HydrophobicContact CD2-CE1 4.47Å; F292-Y302 AromaticContact CE2-CE1 3.93Å; F292-Y302 HydrophobicContact CE2-CE1 3.93Å
293A95.3Very high93.4Very high0 Ų059.6 Ų59.60%032%0.322CS..  trans-112.178.4-170.100000111.2L209 F247 A295 L296 T300L209-A293 HydrophobicContact CD1-CB 3.72Å; F247-A293 HydrophobicContact CD2-CB 4.44Å; F247-A293 HydrophobicContact CE2-CB 4.04Å; A293-A295 PolarHBondContact O-N 3.05Å; A293-L296 HydrophobicContact CB-CB 4.11Å; A293-L296 HydrophobicContact CB-CD1 4.15Å; A293-L296 HydrophobicContact CB-CG 4.37Å; A293-L296 PolarHBondContact O-N 3.23Å; A293-T300 PolarHBondContact N-OG1 2.69Å; A293-T300 PolarHBondContact O-OG1 2.84Å
294P92.7Very high93.2Very high28 Ų2863.4 Ų63.418%0.18234%0.335CS..THydrogen-bonded Turntrans-59.1-26-167.122.8-36.2000115.3E214 Q216 F292 Y302E214-P294 HydrophobicContact CB-CG 4.43Å; E214-P294 HydrophobicContact CG-CG 4.13Å; Q216-P294 HydrophobicContact CB-CG 4.37Å; Q216-P294 HydrophobicContact CG-CG 3.9Å; F292-P294 HydrophobicContact CD2-CB 4.34Å; F292-P294 HydrophobicContact CE2-CB 3.78Å; F292-P294 HydrophobicContact CE2-CG 4.3Å; F292-P294 HydrophobicContact CZ-CB 4.48Å; F292-P294 WeakPolarHBondContact O-CD 3.21Å; P294-Y302 VanDerWaalsContact CA-OH 3.27Å; P294-Y302 WeakPolarHBondContact CA-OH 3.46Å; P294-Y302 WeakPolarHBondContact CB-OH 3.48Å
295A91.4Very high92.6Very high69 Ų6967.2 Ų67.257%0.5735%0.354SS*.THydrogen-bonded Turntrans-76.6-20.8176.700000113.7A293A293-A295 PolarHBondContact O-N 3.05Å
296L91.3Very high91.9Very high55 Ų5571 Ų7129%0.28837%0.366SS..  trans-10787.6-169.7-60.8179.3000110.8L209 A213 A293 E298 Y299 T300L209-L296 HydrophobicContact CD2-CD1 3.7Å; A213-L296 HydrophobicContact CB-CD1 4.19Å; A293-L296 HydrophobicContact CB-CB 4.11Å; A293-L296 HydrophobicContact CB-CD1 4.15Å; A293-L296 HydrophobicContact CB-CG 4.37Å; A293-L296 PolarHBondContact O-N 3.23Å; L296-E298 PolarHBondContact O-N 3.01Å; L296-E298 VanDerWaalsContact O-N 3.11Å; L296-Y299 HydrophobicContact CB-CD2 3.87Å; L296-Y299 HydrophobicContact CB-CG 4.49Å; L296-Y299 HydrophobicContact CD1-CD2 3.77Å; L296-Y299 HydrophobicContact CD1-CE2 3.9Å; L296-Y299 HydrophobicContact CG-CD2 4.46Å; L296-Y299 PolarHBondContact O-N 3.36Å; L296-T300 PolarHBondContact O-N 2.69Å
297K90.8Very high91.2Very high188 Ų18871.1 Ų71.182%0.81737%0.366SS*.THydrogen-bonded Turntrans-60.4-19.1179.1-62.6-176.1179.4-1770114.5Y299K297-Y299 PolarHBondContact O-N 2.79Å
298E90.3Very high90.4Very high172 Ų17272.4 Ų72.480%0.80436%0.36SS*.THydrogen-bonded Turntrans-70.6-18.7173.4-65.4172.2-161.300112.4L296L296-E298 PolarHBondContact O-N 3.01Å; L296-E298 VanDerWaalsContact O-N 3.11Å
299Y91.1Very high89.5Confident60 Ų6079.4 Ų79.424%0.23539%0.385CS..THydrogen-bonded Turntrans-122.9-9.3-176.2-53.8-31.6000113.6V207 L209 I245 F247 L296 K297V207-Y299 HydrophobicContact CG1-CE2 4.17Å; L209-Y299 HydrophobicContact CD2-CD2 3.65Å; L209-Y299 HydrophobicContact CD2-CE2 3.55Å; I245-Y299 HydrophobicContact CD1-CD1 3.74Å; I245-Y299 HydrophobicContact CD1-CE1 4.46Å; I245-Y299 HydrophobicContact CD1-CG 4.33Å; I245-Y299 PolarHBondContact N-O 2.85Å; F247-Y299 AromaticContact CZ-CD2 3.95Å; F247-Y299 HydrophobicContact CZ-CD2 3.95Å; F247-Y299 HydrophobicContact CZ-CG 4.15Å; L296-Y299 HydrophobicContact CB-CD2 3.87Å; L296-Y299 HydrophobicContact CB-CG 4.49Å; L296-Y299 HydrophobicContact CD1-CD2 3.77Å; L296-Y299 HydrophobicContact CD1-CE2 3.9Å; L296-Y299 HydrophobicContact CG-CD2 4.46Å; L296-Y299 PolarHBondContact O-N 3.36Å; K297-Y299 PolarHBondContact O-N 2.79Å
300T94.3Very high88.6Confident6 Ų683.9 Ų83.94%0.03741%0.406CS..  trans-139.2114-176.4-61.10000110.3L240 F292 A293 L296 Y302L240-T300 HydrophobicContact CD2-CG2 3.79Å; F292-T300 HydrophobicContact CD2-CG2 3.72Å; F292-T300 HydrophobicContact CE2-CG2 4.36Å; A293-T300 PolarHBondContact N-OG1 2.69Å; A293-T300 PolarHBondContact O-OG1 2.84Å; L296-T300 PolarHBondContact O-N 2.69Å; T300-Y302 HydrophobicContact CG2-CD1 4.34Å; T300-Y302 HydrophobicContact CG2-CE1 3.67Å; T300-Y302 HydrophobicContact CG2-CE2 4.03Å
301E93.4Very high87.3Confident114 Ų11489.3 Ų89.353%0.53344%0.435SS..  trans-112152.5168.9-168.6173.6124.400110.1L240 N241 S244L240-E301 WeakPolarHBondContact CA-O 3.33Å; N241-E301 HydrophobicContact CB-CB 4.02Å; N241-E301 HydrophobicContact CB-CG 4.02Å; N241-E301 PolarHBondContact N-O 2.86Å; N241-E301 PolarHBondContact ND2-OE1 3.04Å; S244-E301 PolarHBondContact OG-N 3.19Å; S244-E301 VanDerWaalsContact OG-N 3.13Å; S244-E301 PolarHBondContact OG-O 2.78Å
302Y92.5Very high86Confident79 Ų7996 Ų9631%0.3147%0.465SS..BIsolated β-bridgetrans-123136.9-173-58.3-76.2000112.3P238 A239 L240 F292 P294 T300 L304P238-Y302 HydrophobicContact CB-CD1 3.8Å; P238-Y302 HydrophobicContact CB-CE1 4Å; P238-Y302 HydrophobicContact CG-CD1 3.9Å; P238-Y302 HydrophobicContact CG-CE1 3.56Å; A239-Y302 WeakPolarHBondContact O-CA 3.35Å; L240-Y302 HydrophobicContact CD2-CD1 3.66Å; L240-Y302 HydrophobicContact CD2-CE1 3.64Å; F292-Y302 HydrophobicContact CD2-CE1 4.47Å; F292-Y302 AromaticContact CE2-CE1 3.93Å; F292-Y302 HydrophobicContact CE2-CE1 3.93Å; P294-Y302 VanDerWaalsContact CA-OH 3.27Å; P294-Y302 WeakPolarHBondContact CA-OH 3.46Å; P294-Y302 WeakPolarHBondContact CB-OH 3.48Å; T300-Y302 HydrophobicContact CG2-CD1 4.34Å; T300-Y302 HydrophobicContact CG2-CE1 3.67Å; T300-Y302 HydrophobicContact CG2-CE2 4.03Å; Y302-L304 PolarHBondContact O-N 3.31Å; Y302-L304 VanDerWaalsContact O-N 3.09Å
303I89Confident84.5Confident42 Ų4299 Ų9922%0.21550%0.497CS..  trans-73.8101.8173.4-61.4177.7000109.3A239 L240 N241 V260 M305 L308A239-I303 HydrophobicContact CB-CB 4.11Å; A239-I303 PolarHBondContact O-N 3.04Å; L240-I303 VanDerWaalsContact O-CD1 3.23Å; L240-I303 WeakPolarHBondContact O-CD1 3.34Å; L240-I303 WeakPolarHBondContact O-CG1 3.46Å; N241-I303 HydrophobicContact CB-CG1 4.04Å; V260-I303 HydrophobicContact CB-CD1 4.47Å; V260-I303 HydrophobicContact CG1-CD1 4.12Å; I303-M305 PolarHBondContact O-N 2.75Å; I303-L308 HydrophobicContact CG2-CD1 3.47Å; I303-L308 VanDerWaalsContact CG2-CD1 3.47Å; I303-L308 HydrophobicContact CG2-CG 4.05Å
304L85.6Confident82.6Confident109 Ų109102.6 Ų102.657%0.57152%0.522SS*.  trans-73.896.2175.2-65.7177.6000110.4Y302 Q306 Q307 L308Y302-L304 PolarHBondContact O-N 3.31Å; Y302-L304 VanDerWaalsContact O-N 3.09Å; L304-Q306 PolarHBondContact O-N 3.45Å; L304-Q307 HydrophobicContact CB-CB 4.12Å; L304-Q307 WeakPolarHBondContact O-CA 3.44Å; L304-Q307 VanDerWaalsContact O-CB 3.32Å; L304-Q307 WeakPolarHBondContact O-CB 3.11Å; L304-Q307 PolarHBondContact O-N 3.41Å; L304-L308 PolarHBondContact O-N 2.87Å
305M80.4Confident80.9Confident86 Ų86109.2 Ų109.242%0.42456%0.555SS.*Hα-helixtrans-49-29.9177.2-69.3-169-81.400114.7V264 I303 K309V264-M305 HydrophobicContact CG1-CG 3.7Å; V264-M305 HydrophobicContact CG1-SD 3.69Å; I303-M305 PolarHBondContact O-N 2.75Å; M305-K309 WeakPolarHBondContact O-CG 3.3Å; M305-K309 PolarHBondContact O-N 2.81Å; M305-K309 VanDerWaalsContact O-N 3.09Å
306Q80.6Confident78.9Confident164 Ų164107.7 Ų107.777%0.76654%0.543SS*.Hα-helixtrans-68.5-34176.5-65.6-178-1.700112.3L304 K309 L310L304-Q306 PolarHBondContact O-N 3.45Å; Q306-K309 PolarHBondContact O-N 3.19Å; Q306-L310 WeakPolarHBondContact O-CG 3.05Å; Q306-L310 PolarHBondContact O-N 2.82Å
307Q80.4Confident76.9Confident117 Ų117109.2 Ų109.255%0.54756%0.558SS.*Hα-helixtrans-72.5-41.7175.4-172.9169.6-29.100110.9L304 K309 L310 L311L304-Q307 HydrophobicContact CB-CB 4.12Å; L304-Q307 WeakPolarHBondContact O-CA 3.44Å; L304-Q307 VanDerWaalsContact O-CB 3.32Å; L304-Q307 WeakPolarHBondContact O-CB 3.11Å; L304-Q307 PolarHBondContact O-N 3.41Å; Q307-K309 VanDerWaalsContact C-N 3.28Å; Q307-K309 PolarHBondContact O-N 2.98Å; Q307-L310 PolarHBondContact O-N 3.16Å; Q307-L311 HydrophobicContact CG-CD1 4.39Å; Q307-L311 PolarHBondContact O-N 3.37Å
308L77.7Confident75.5Confident84 Ų84107 Ų10744%0.4454%0.544SS..Hα-helixtrans-58.2-38.6171.4-66.6-174.8000112.5I303 L304 L310 L311I303-L308 HydrophobicContact CG2-CD1 3.47Å; I303-L308 VanDerWaalsContact CG2-CD1 3.47Å; I303-L308 HydrophobicContact CG2-CG 4.05Å; L304-L308 PolarHBondContact O-N 2.87Å; L308-L310 PolarHBondContact O-N 2.61Å; L308-L311 HydrophobicContact CD2-CD1 4.27Å; L308-L311 PolarHBondContact O-N 2.97Å; L308-L311 VanDerWaalsContact O-O 3.07Å
309K77.1Confident73.7Confident181 Ų181106.2 Ų106.279%0.78754%0.539SS*.THydrogen-bonded Turntrans-69.8-14.4176.4-73.2176-178.4-176.40114.5M305 Q306 Q307M305-K309 WeakPolarHBondContact O-CG 3.3Å; M305-K309 PolarHBondContact O-N 2.81Å; M305-K309 VanDerWaalsContact O-N 3.09Å; Q306-K309 PolarHBondContact O-N 3.19Å; Q307-K309 VanDerWaalsContact C-N 3.28Å; Q307-K309 PolarHBondContact O-N 2.98Å
310L76.9Confident72.1Confident150 Ų150109.5 Ų109.579%0.78556%0.56SS**THydrogen-bonded Turntrans-94.1-27.6172.4-65.5170000111.9Q306 Q307 L308 K312Q306-L310 WeakPolarHBondContact O-CG 3.05Å; Q306-L310 PolarHBondContact O-N 2.82Å; Q307-L310 PolarHBondContact O-N 3.16Å; L308-L310 PolarHBondContact O-N 2.61Å; L310-K312 PolarHBondContact O-N 2.86Å
311L71.3Confident70.7Confident115 Ų115115.1 Ų115.160%0.60259%0.59SS**SBendtrans-71.393.6169.5-74.1160000109.4Q307 L308 G313Q307-L311 HydrophobicContact CG-CD1 4.39Å; Q307-L311 PolarHBondContact O-N 3.37Å; L308-L311 HydrophobicContact CD2-CD1 4.27Å; L308-L311 PolarHBondContact O-N 2.97Å; L308-L311 VanDerWaalsContact O-O 3.07Å; L311-G313 PolarHBondContact O-N 3.33Å
312K67.1Low69.3Low197 Ų197114.3 Ų114.386%0.85759%0.589SS**  trans-69.279.1176.2-176.962.1170.11690110.1L310L310-K312 PolarHBondContact O-N 2.86Å
313G64.9Low68.1Low64 Ų64118.4 Ų118.466%0.6661%0.611SS**  trans-59141.6168.900000110.9L311L311-G313 PolarHBondContact O-N 3.33Å
314S55.9Low67.1Low75 Ų75117.2 Ų117.252%0.52461%0.606SS.*  trans-93.6131.1167.9-58.80000108.1A316S314-A316 PolarHBondContact O-N 2.85Å
315D57.6Low66.3Low166 Ų166115 Ų11589%0.88860%0.598SS**  trans-75.831.1172.855.4-29.9000112.3S317D315-S317 PolarHBondContact O-N 3.46Å; D315-S317 VanDerWaalsContact O-N 3.16Å
316A48.4Very low65.6Low37 Ų37116.6 Ų116.631%0.30661%0.609SS.*  trans-95.862.7-160.100000112.7S314 W318 P324S314-A316 PolarHBondContact O-N 2.85Å; A316-W318 PolarHBondContact O-N 2.94Å; A316-P324 HydrophobicContact CB-CG 3.86Å
317S49.5Very low64.5Low87 Ų87115.9 Ų115.961%0.60861%0.605SS**  trans-54.798.8160.5-750000109.4D315 D321D315-S317 PolarHBondContact O-N 3.46Å; D315-S317 VanDerWaalsContact O-N 3.16Å; S317-D321 WeakPolarHBondContact CB-OD1 3.13Å; S317-D321 PolarHBondContact OG-OD1 3.06Å
318W61.2Low63.7Low141 Ų141112.6 Ų112.653%0.53460%0.598SS.*  trans-84.8-141.5179-159.849.2000109.7A316 N320 D322 P324 P325A316-W318 PolarHBondContact O-N 2.94Å; W318-N320 PolarHBondContact O-N 3.13Å; W318-N320 VanDerWaalsContact O-N 3.13Å; W318-D322 WeakPolarHBondContact CB-O 3.45Å; W318-D322 PolarHBondContact N-O 2.71Å; W318-P324 HydrophobicContact CB-CB 4.34Å; W318-P324 HydrophobicContact CD2-CB 4.09Å; W318-P324 HydrophobicContact CG-CB 3.91Å; W318-P325 HydrophobicContact CH2-CG 3.8Å; W318-P325 HydrophobicContact CZ2-CG 4.38Å; W318-P325 HydrophobicContact CZ3-CG 4.13Å
319K53Low63.3Low157 Ų157111.4 Ų111.468%0.68359%0.592SS**THydrogen-bonded Turntrans-78100.7176.4-16665.4171.91770109.3
320N57.3Low62.5Low128 Ų128110.8 Ų110.868%0.68460%0.597SS**THydrogen-bonded Turntrans79.336.4-178.9-26.7-49.2000114.9W318 D322W318-N320 PolarHBondContact O-N 3.13Å; W318-N320 VanDerWaalsContact O-N 3.13Å; N320-D322 PolarHBondContact O-N 3.23Å
321D65.7Low62Low124 Ų124107.5 Ų107.566%0.66358%0.575SS**SBendtrans62.83.2178.9-61.1-54.2000116.6S317S317-D321 WeakPolarHBondContact CB-OD1 3.13Å; S317-D321 PolarHBondContact OG-OD1 3.06Å
322D63.8Low61.8Low98 Ų98108.6 Ų108.652%0.52459%0.592SS.*PPolyproline II helixtrans-55.5147.3159.9-69.9-54.3000111.3W318 N320W318-D322 WeakPolarHBondContact CB-O 3.45Å; W318-D322 PolarHBondContact N-O 2.71Å; N320-D322 PolarHBondContact O-N 3.23Å
323E66.4Low61.9Low165 Ų165101.8 Ų101.877%0.77157%0.565SS**PPolyproline II helixtrans-68.3142.7167.9-70.8-165.8144.300111.1
324P68.4Low62Low17 Ų17104.5 Ų104.511%0.1157%0.565CS.*PPolyproline II helixtrans-67.7134.4172.729.1-34.2000110.5A316 W318 L329A316-P324 HydrophobicContact CB-CG 3.86Å; W318-P324 HydrophobicContact CB-CB 4.34Å; W318-P324 HydrophobicContact CD2-CB 4.09Å; W318-P324 HydrophobicContact CG-CB 3.91Å; P324-L329 HydrophobicContact CG-CD2 3.96Å; P324-L329 HydrophobicContact CG-CG 4.43Å
325P68.4Low62.9Low62 Ų62108.2 Ų108.240%0.40357%0.574SS.*PPolyproline II helixtrans-67.6160.4-177.228.1-36.4000112.6W318 E327 A328 L329W318-P325 HydrophobicContact CH2-CG 3.8Å; W318-P325 HydrophobicContact CZ2-CG 4.38Å; W318-P325 HydrophobicContact CZ3-CG 4.13Å; P325-E327 PolarHBondContact O-N 2.87Å; P325-A328 HydrophobicContact CG-CB 4.37Å; P325-A328 WeakPolarHBondContact O-CA 3.45Å; P325-A328 PolarHBondContact O-N 3.02Å; P325-L329 PolarHBondContact O-N 3.19Å
326D65.3Low63.8Low120 Ų120105.8 Ų105.864%0.64256%0.555SS**THydrogen-bonded Turntrans-43.3-29.5178.4-73.27.3000116.4
327E58.8Low65.1Low148 Ų148107.4 Ų107.469%0.69256%0.557SS**THydrogen-bonded Turntrans-80.8-13.6178.6-54.7-154.4146.800114P325 I344P325-E327 PolarHBondContact O-N 2.87Å; E327-I344 HydrophobicContact CB-CD1 4.37Å; E327-I344 HydrophobicContact CG-CD1 3.91Å; E327-I344 HydrophobicContact CG-CG1 4.32Å; E327-I344 WeakPolarHBondContact OE1-CG2 3.48Å
328A62.4Low66.1Low49 Ų49108 Ų10841%0.40555%0.55SS..THydrogen-bonded Turntrans-122.51.8-176.300000113.9P325 D330P325-A328 HydrophobicContact CG-CB 4.37Å; P325-A328 WeakPolarHBondContact O-CA 3.45Å; P325-A328 PolarHBondContact O-N 3.02Å; A328-D330 PolarHBondContact O-N 2.9Å
329L69.4Low66.8Low58 Ų58106 Ų10630%0.30455%0.546SS..  trans-68.2114.3170.3-86.8168.1000110.8P324 P325 Y331P324-L329 HydrophobicContact CG-CD2 3.96Å; P324-L329 HydrophobicContact CG-CG 4.43Å; P325-L329 PolarHBondContact O-N 3.19Å; L329-Y331 HydrophobicContact CB-CE2 4.49Å; L329-Y331 WeakPolarHBondContact O-CD2 3.04Å; L329-Y331 VanDerWaalsContact O-CE2 3.28Å; L329-Y331 WeakPolarHBondContact O-CE2 3.47Å; L329-Y331 PolarHBondContact O-N 3.38Å
330D60.1Low67.7Low168 Ų16899 Ų9990%0.89852%0.518SS*.  trans-74.1105.6177.7-90.9-32000111.5A328 S332A328-D330 PolarHBondContact O-N 2.9Å; D330-S332 PolarHBondContact O-N 3.2Å
331Y67.6Low68.5Low82 Ų8298.3 Ų98.332%0.32251%0.509SS..  trans-78.4113.2176.7-60.7-78.1000111.3L329 D333 K336 E337 A340L329-Y331 HydrophobicContact CB-CE2 4.49Å; L329-Y331 WeakPolarHBondContact O-CD2 3.04Å; L329-Y331 VanDerWaalsContact O-CE2 3.28Å; L329-Y331 WeakPolarHBondContact O-CE2 3.47Å; L329-Y331 PolarHBondContact O-N 3.38Å; Y331-D333 PolarHBondContact O-N 3.31Å; Y331-K336 HydrophobicContact CD1-CB 3.84Å; Y331-K336 HydrophobicContact CG-CB 4.21Å; Y331-E337 HydrophobicContact CD2-CB 4.2Å; Y331-E337 HydrophobicContact CD2-CG 4.25Å; Y331-E337 HydrophobicContact CG-CB 4.42Å; Y331-A340 HydrophobicContact CD2-CB 4.33Å; Y331-A340 HydrophobicContact CE1-CB 4.43Å; Y331-A340 HydrophobicContact CE2-CB 3.41Å; Y331-A340 VanDerWaalsContact CE2-CB 3.41Å; Y331-A340 VanDerWaalsContact CZ-CB 3.48Å; Y331-A340 WeakPolarHBondContact OH-CB 3.28Å
332S65.6Low68.9Low137 Ų137100 Ų10096%0.95851%0.506SS*.SBendtrans-67.714.5172.6-167.80000114.4D330D330-S332 PolarHBondContact O-N 3.2Å
333D70.9Confident69.5Low55 Ų55100.4 Ų100.429%0.29450%0.503SS..SBendtrans-149.3113.4-166.7177.3-9.4000108.4Y331 E335 K336 E337Y331-D333 PolarHBondContact O-N 3.31Å; D333-E335 VanDerWaalsContact C-N 3.26Å; D333-E335 PolarHBondContact O-N 3.27Å; D333-E335 PolarHBondContact OD1-N 3.14Å; D333-K336 HydrophobicContact CB-CB 4.28Å; D333-K336 HydrophobicContact CB-CD 4.24Å; D333-K336 HydrophobicContact CB-CG 4.24Å; D333-K336 PolarHBondContact O-N 3.13Å; D333-K336 VanDerWaalsContact O-N 3.13Å; D333-K336 WeakPolarHBondContact OD2-CE 3.08Å; D333-K336 WeakPolarHBondContact OD2-CG 3.31Å; D333-K336 IonicContact OD2-NZ 2.66Å; D333-K336 PolarHBondContact OD2-NZ 3.45Å; D333-E337 PolarHBondContact O-N 3.32Å; D333-E337 VanDerWaalsContact O-N 3.14Å
334D65.2Low69.9Low121 Ų12194.9 Ų94.965%0.64748%0.478SS*.Hα-helixtrans-73.7-14.7-169.872.3-65.2000113.8Q338D334-Q338 VanDerWaalsContact O-CG 3.31Å; D334-Q338 WeakPolarHBondContact O-CG 3.21Å; D334-Q338 PolarHBondContact O-NE2 2.88Å
335E76.9Confident70.1Confident152 Ų152101.8 Ų101.871%0.7150%0.502SS*.Hα-helixtrans-73.7-41.9168.4-175.7162.6-149.600110.9D333 Q338 E339D333-E335 VanDerWaalsContact C-N 3.26Å; D333-E335 PolarHBondContact O-N 3.27Å; D333-E335 PolarHBondContact OD1-N 3.14Å; E335-Q338 PolarHBondContact O-N 3.19Å; E335-E339 PolarHBondContact O-N 2.78Å; E335-E339 VanDerWaalsContact O-N 3.14Å
336K75.8Confident70.4Confident116 Ų116103 Ų10350%0.50451%0.505SS..Hα-helixtrans-68.9-41.6179.6-69.7-173.4-178.7106.90112.7Y331 D333 Q338 E339 A340Y331-K336 HydrophobicContact CD1-CB 3.84Å; Y331-K336 HydrophobicContact CG-CB 4.21Å; D333-K336 HydrophobicContact CB-CB 4.28Å; D333-K336 HydrophobicContact CB-CD 4.24Å; D333-K336 HydrophobicContact CB-CG 4.24Å; D333-K336 PolarHBondContact O-N 3.13Å; D333-K336 VanDerWaalsContact O-N 3.13Å; D333-K336 WeakPolarHBondContact OD2-CE 3.08Å; D333-K336 WeakPolarHBondContact OD2-CG 3.31Å; D333-K336 IonicContact OD2-NZ 2.66Å; D333-K336 PolarHBondContact OD2-NZ 3.45Å; K336-Q338 VanDerWaalsContact C-N 3.26Å; K336-Q338 PolarHBondContact O-N 3.42Å; K336-E339 PolarHBondContact O-N 3.14Å; K336-A340 PolarHBondContact O-N 3.33Å
337E76Confident70.7Confident71 Ų71101.7 Ų101.733%0.33250%0.498SS..Hα-helixtrans-55.1-45.2175.1-161.4-118.1110.500110.9Y331 D333 E339 K341Y331-E337 HydrophobicContact CD2-CB 4.2Å; Y331-E337 HydrophobicContact CD2-CG 4.25Å; Y331-E337 HydrophobicContact CG-CB 4.42Å; D333-E337 PolarHBondContact O-N 3.32Å; D333-E337 VanDerWaalsContact O-N 3.14Å; E337-E339 VanDerWaalsContact C-N 3.33Å; E337-E339 PolarHBondContact O-N 2.91Å; E337-K341 WeakPolarHBondContact O-CB 3.28Å; E337-K341 PolarHBondContact O-N 2.93Å; E337-K341 WeakPolarHBondContact OE1-CD 3.33Å; E337-K341 VanDerWaalsContact OE1-CE 3.28Å; E337-K341 WeakPolarHBondContact OE1-CE 3.21Å; E337-K341 IonicContact OE1-NZ 2.87Å; E337-K341 PolarHBondContact OE1-NZ 3.03Å
338Q69.5Low71.2Confident99 Ų99100.6 Ų100.646%0.46349%0.491SS..Hα-helixtrans-68.7-26.7178-72.9179.472.300113.9D334 E335 K336 R342D334-Q338 VanDerWaalsContact O-CG 3.31Å; D334-Q338 WeakPolarHBondContact O-CG 3.21Å; D334-Q338 PolarHBondContact O-NE2 2.88Å; E335-Q338 PolarHBondContact O-N 3.19Å; K336-Q338 VanDerWaalsContact C-N 3.26Å; K336-Q338 PolarHBondContact O-N 3.42Å; Q338-R342 WeakPolarHBondContact O-CB 3.41Å; Q338-R342 PolarHBondContact O-N 3.23Å
339E75.9Confident71.3Confident98 Ų98108.3 Ų108.346%0.45851%0.51SS..Hα-helixtrans-78.4-46.2175.9-149-144.3166.200111.7E335 K336 E337 R342 K343E335-E339 PolarHBondContact O-N 2.78Å; E335-E339 VanDerWaalsContact O-N 3.14Å; K336-E339 PolarHBondContact O-N 3.14Å; E337-E339 VanDerWaalsContact C-N 3.33Å; E337-E339 PolarHBondContact O-N 2.91Å; E339-R342 CarbonylContact O-C 3.02Å; E339-R342 WeakPolarHBondContact O-CA 3.43Å; E339-R342 WeakPolarHBondContact O-CB 3.43Å; E339-R342 PolarHBondContact O-N 3.03Å; E339-K343 WeakPolarHBondContact O-CG 3.32Å; E339-K343 PolarHBondContact O-N 3.41Å; E339-K343 WeakPolarHBondContact OE1-CE 3Å; E339-K343 IonicContact OE1-NZ 3.7Å; E339-K343 PolarHBondContact OE1-NZ 2.96Å; E339-K343 IonicContact OE2-NZ 2.92Å; E339-K343 PolarHBondContact OE2-NZ 3.04Å
340A72.8Confident71.1Confident11 Ų11111.7 Ų111.79%0.09152%0.522CS..Hα-helixtrans-60-50.8174.200000111.3Y331 K336 R342 K343 I344Y331-A340 HydrophobicContact CD2-CB 4.33Å; Y331-A340 HydrophobicContact CE1-CB 4.43Å; Y331-A340 HydrophobicContact CE2-CB 3.41Å; Y331-A340 VanDerWaalsContact CE2-CB 3.41Å; Y331-A340 VanDerWaalsContact CZ-CB 3.48Å; Y331-A340 WeakPolarHBondContact OH-CB 3.28Å; K336-A340 PolarHBondContact O-N 3.33Å; A340-R342 PolarHBondContact O-N 3.48Å; A340-K343 WeakPolarHBondContact O-CB 3.36Å; A340-K343 PolarHBondContact O-N 2.66Å; A340-I344 WeakPolarHBondContact O-CG1 3.48Å; A340-I344 PolarHBondContact O-N 3Å
341K72.9Confident71.1Confident114 Ų114110.9 Ų110.950%0.49651%0.513SS..Hα-helixtrans-62.4-12.4173.6-171.9172.9-93.91620112.9E337 R345E337-K341 WeakPolarHBondContact O-CB 3.28Å; E337-K341 PolarHBondContact O-N 2.93Å; E337-K341 WeakPolarHBondContact OE1-CD 3.33Å; E337-K341 VanDerWaalsContact OE1-CE 3.28Å; E337-K341 WeakPolarHBondContact OE1-CE 3.21Å; E337-K341 IonicContact OE1-NZ 2.87Å; E337-K341 PolarHBondContact OE1-NZ 3.03Å; K341-R345 WeakPolarHBondContact O-CG 3.14Å; K341-R345 PolarHBondContact O-NE 2.92Å; K341-R345 PolarHBondContact O-NH2 2.63Å
342R75.8Confident70.7Confident159 Ų159112.5 Ų112.560%0.653%0.527SS*.Hα-helixtrans-90.7-40.9169.1-170.3-173-51.2-161.74.9112Q338 E339 A340 R345 N346Q338-R342 WeakPolarHBondContact O-CB 3.41Å; Q338-R342 PolarHBondContact O-N 3.23Å; E339-R342 CarbonylContact O-C 3.02Å; E339-R342 WeakPolarHBondContact O-CA 3.43Å; E339-R342 WeakPolarHBondContact O-CB 3.43Å; E339-R342 PolarHBondContact O-N 3.03Å; A340-R342 PolarHBondContact O-N 3.48Å; R342-R345 PolarHBondContact O-N 3.44Å; R342-N346 VanDerWaalsContact O-CB 3.29Å; R342-N346 WeakPolarHBondContact O-CB 3.44Å; R342-N346 PolarHBondContact O-N 2.77Å
343K75.7Confident70.2Confident107 Ų107108.7 Ų108.747%0.46551%0.51SS..Hα-helixtrans-59.2-51.4174.8-72.7163.4175.5164.70111.2E339 A340 R345 N346 N347E339-K343 WeakPolarHBondContact O-CG 3.32Å; E339-K343 PolarHBondContact O-N 3.41Å; E339-K343 WeakPolarHBondContact OE1-CE 3Å; E339-K343 IonicContact OE1-NZ 3.7Å; E339-K343 PolarHBondContact OE1-NZ 2.96Å; E339-K343 IonicContact OE2-NZ 2.92Å; E339-K343 PolarHBondContact OE2-NZ 3.04Å; A340-K343 WeakPolarHBondContact O-CB 3.36Å; A340-K343 PolarHBondContact O-N 2.66Å; K343-R345 PolarHBondContact O-N 3.49Å; K343-N346 WeakPolarHBondContact O-CB 3.49Å; K343-N346 PolarHBondContact O-N 2.86Å; K343-N346 VanDerWaalsContact O-N 3.15Å; K343-N347 PolarHBondContact O-N 2.94Å
344I74.2Confident69.2Low49 Ų49112 Ų11225%0.25154%0.536SS..Hα-helixtrans-54.6-52.9176.3-66.7159.9000111.2E327 A340 N346 N347 K348E327-I344 HydrophobicContact CB-CD1 4.37Å; E327-I344 HydrophobicContact CG-CD1 3.91Å; E327-I344 HydrophobicContact CG-CG1 4.32Å; E327-I344 WeakPolarHBondContact OE1-CG2 3.48Å; A340-I344 WeakPolarHBondContact O-CG1 3.48Å; A340-I344 PolarHBondContact O-N 3Å; I344-N346 VanDerWaalsContact C-N 3.3Å; I344-N346 PolarHBondContact O-N 2.97Å; I344-N347 PolarHBondContact O-N 2.96Å; I344-K348 WeakPolarHBondContact O-CB 3.29Å; I344-K348 PolarHBondContact O-N 3.15Å
345R73.4Confident68.5Low161 Ų161110.1 Ų110.161%0.60854%0.537SS*.Hα-helixtrans-61.9-34.4178.5-77.4-173.9-67.6157-2113.5K341 R342 K343 W349K341-R345 WeakPolarHBondContact O-CG 3.14Å; K341-R345 PolarHBondContact O-NE 2.92Å; K341-R345 PolarHBondContact O-NH2 2.63Å; R342-R345 PolarHBondContact O-N 3.44Å; K343-R345 PolarHBondContact O-N 3.49Å; R345-W349 PolarHBondContact O-N 3.25Å
346N74.7Confident67.1Low87 Ų87109.2 Ų109.247%0.46554%0.537SS..Hα-helixtrans-71.1-39.6177.8-17244.1000111.8R342 K343 I344 W349 K350R342-N346 VanDerWaalsContact O-CB 3.29Å; R342-N346 WeakPolarHBondContact O-CB 3.44Å; R342-N346 PolarHBondContact O-N 2.77Å; K343-N346 WeakPolarHBondContact O-CB 3.49Å; K343-N346 PolarHBondContact O-N 2.86Å; K343-N346 VanDerWaalsContact O-N 3.15Å; I344-N346 VanDerWaalsContact C-N 3.3Å; I344-N346 PolarHBondContact O-N 2.97Å; N346-W349 PolarHBondContact O-N 3.33Å; N346-K350 WeakPolarHBondContact O-CG 3.46Å; N346-K350 PolarHBondContact O-N 2.99Å
347N71.8Confident65.5Low94 Ų94114 Ų11450%0.50356%0.558SS.*Hα-helixtrans-67.4-45176.3-70.2-6.8000111.1K343 I344 W349 K350 E351K343-N347 PolarHBondContact O-N 2.94Å; I344-N347 PolarHBondContact O-N 2.96Å; N347-W349 PolarHBondContact O-N 3.37Å; N347-K350 WeakPolarHBondContact O-CB 3.44Å; N347-K350 PolarHBondContact O-N 3.24Å; N347-E351 PolarHBondContact O-N 3.19Å
348K68.7Low63.7Low124 Ų124115.4 Ų115.454%0.53958%0.576SS.*Hα-helixtrans-61.5-23.5175-164.2162.3-165.61470114.1I344 N352I344-K348 WeakPolarHBondContact O-CB 3.29Å; I344-K348 PolarHBondContact O-N 3.15Å; K348-N352 WeakPolarHBondContact O-CB 3.47Å; K348-N352 PolarHBondContact O-N 3.18Å; K348-N352 PolarHBondContact O-ND2 3.36Å
349W64.3Low62.1Low211 Ų211115.4 Ų115.480%0.79959%0.587SS**Hα-helixtrans-76.3-40.4170.9-166.9-60.8000111.8R345 N346 N347 G353R345-W349 PolarHBondContact O-N 3.25Å; N346-W349 PolarHBondContact O-N 3.33Å; N347-W349 PolarHBondContact O-N 3.37Å; W349-G353 PolarHBondContact O-N 3Å; W349-G353 VanDerWaalsContact O-N 3.1Å
350K65.8Low60.5Low130 Ų130118.7 Ų118.757%0.56560%0.602SS**Hα-helixtrans-66.5-45.4178.9-66.4168.2-174.5170.90111.8N346 N347 G353N346-K350 WeakPolarHBondContact O-CG 3.46Å; N346-K350 PolarHBondContact O-N 2.99Å; N347-K350 WeakPolarHBondContact O-CB 3.44Å; N347-K350 PolarHBondContact O-N 3.24Å; K350-G353 PolarHBondContact O-N 2.86Å; K350-G353 VanDerWaalsContact O-N 3.07Å
351E59.2Low58.8Low150 Ų150124.2 Ų124.270%0.70163%0.626SS**Hα-helixtrans-59.2-53.5178.9-174.5-179.2-161.200111.4N347 G353N347-E351 PolarHBondContact O-N 3.19Å; E351-G353 PolarHBondContact O-N 2.98Å; E351-G353 VanDerWaalsContact O-N 3.1Å
352N58.8Low57.1Low116 Ų116126 Ų12662%0.6264%0.636SS**THydrogen-bonded Turntrans-70.9-1.6175-66.9-44.1000114K348K348-N352 WeakPolarHBondContact O-CB 3.47Å; K348-N352 PolarHBondContact O-N 3.18Å; K348-N352 PolarHBondContact O-ND2 3.36Å
353G55.9Low55.4Low58 Ų58125 Ų12560%0.59864%0.642SS**THydrogen-bonded Turntrans-89.8-9.3-177.100000114.9W349 K350 E351W349-G353 PolarHBondContact O-N 3Å; W349-G353 VanDerWaalsContact O-N 3.1Å; K350-G353 PolarHBondContact O-N 2.86Å; K350-G353 VanDerWaalsContact O-N 3.07Å; E351-G353 PolarHBondContact O-N 2.98Å; E351-G353 VanDerWaalsContact O-N 3.1Å
354C49.5Very low53.5Low123 Ų123127.7 Ų127.783%0.83166%0.657SS**SBendtrans-106.224.7-173.8-152.30000114.1
355A50.7Low51.7Low83 Ų83132.1 Ų132.169%0.68668%0.681SS**SBendtrans-111.8119.2174.500000111.4
356D46.8Very low50.1Low133 Ų133135.2 Ų135.271%0.71169%0.693SS**  trans50.2104167.2-173.918.6000118.5S358D356-S358 PolarHBondContact OD1-N 3.47Å
357K43.2Very low48.3Very low216 Ų216142.5 Ų142.594%0.93971%0.713SS**  -147.378.9128.2-74.2-146.2175.4-172.20112.6
358S37.2Very low46.7Very low101 Ų101142.7 Ų142.771%0.70673%0.728SS**  trans-143.5124.2157.561.10000108.9D356D356-S358 PolarHBondContact OD1-N 3.47Å
359S37.9Very low45Very low98 Ų98142.6 Ų142.669%0.68574%0.743SS**  cis-166.2-172.533.855.70000112.3
360Q41.3Very low43.7Very low167 Ų167141.2 Ų141.278%0.7875%0.746SS**  trans74.4139.1165.3-65.6-177.5-0.200116.9
361Q37.6Very low43.3Very low127 Ų127140 Ų14059%0.59375%0.751SS**  cis-153.7145.70.6-158.2135.1-51.900114.9
362Q36.9Very low42.2Very low151 Ų151142.9 Ų142.971%0.70676%0.755SS**  trans60.5116.5150.4-78.8165.212.700123.7
363N39Very low41.2Very low138 Ų138146.6 Ų146.674%0.73877%0.769SS**  30.3125126.1-55.3-10000120.9
364H36.1Very low40.3Very low165 Ų165148 Ų14876%0.76478%0.775SS**  -167.7150.388.9-117.9-95.4000115.3
365D37.5Very low39.8Very low142 Ų142153.8 Ų153.876%0.75978%0.779SS**  trans69.5166.8150.1-86.9-49.7000125
366R40.2Very low39.5Very low226 Ų226156.8 Ų156.885%0.85379%0.789SS**  trans-116.5158.2-160.6-66.2174.3163.8-172.7-4.5113.7
367R36.7Very low39.2Very low239 Ų239162.1 Ų162.190%0.90280%0.799SS**  trans67116.1151.8-88.4-177.4171.8169.2-2119.3
368A37.1Very low38.9Very low98 Ų98157.9 Ų157.981%0.8179%0.791SS**  64.5106.1129.900000119.9
369S33.9Very low39Very low123 Ų123162.2 Ų162.286%0.8679%0.792SS**  trans-157.7129.4130.133.90000112.2
370Q36.7Very low39.1Very low182 Ų182166 Ų16685%0.8580%0.798SS**  trans-100.2179.3152.1-64.9-170.2-4.600107.7
371P57.4Low39.1Very low104 Ų104164.5 Ų164.568%0.67579%0.791SS**  -126.6-179.2-6437.2-23.3000110.1
372R34.9Very low39.4Very low211 Ų211167.4 Ų167.480%0.79681%0.805SS**  trans160.9128.1132.1-92.2173.1171.2157.90.2114.7
373H38.3Very low40Very low194 Ų194166.1 Ų166.190%0.89881%0.809SS**  trans60.9158145.9-47.2-39.5000118.1
374A36.9Very low40Very low88 Ų88170.6 Ų170.673%0.72782%0.816SS**  cis-141.8147.73.200000113.4
375R38.7Very low40Very low244 Ų244169.3 Ų169.392%0.92182%0.815SS**  trans2.3127.9153.8-61.4172.9169.7-173.5-3.9119.7
376T44.2Very low40Very low145 Ų145167.1 Ų167.189%0.8982%0.817SS**  -142.2144.3117.51.20000110.3
377R41.3Very low40.5Very low246 Ų246162.1 Ų162.193%0.92881%0.813SS**  trans-117133.5171.3-77-177.9174-178.6-2.6108.4
378V37.7Very low41.3Very low127 Ų127156.1 Ų156.177%0.7781%0.805SS**  trans-131.3138.3151.9-178.40000107.5
379R37.9Very low41.3Very low191 Ų191157.1 Ų157.172%0.72181%0.806SS**  trans-130.2117.2-177.2170.1-164.2-179-171.96.4106.9Q381R379-Q381 HydrophobicContact CG-CG 4.24Å
380H39.8Very low41.3Very low178 Ų178154.7 Ų154.782%0.82479%0.794SS**  trans-110141165.3-75.6-77.3000109.9
381Q42.1Very low41.3Very low136 Ų136154.5 Ų154.564%0.63679%0.792SS**  trans-122.9166.5-180-60-173.8113.200109R379R379-Q381 HydrophobicContact CG-CG 4.24Å
382H44.8Very low40.2Very low188 Ų188153.2 Ų153.287%0.8779%0.786SS**  trans-49.9154.5162-69.8-88.1000112.8
383P49.5Very low40.3Very low124 Ų124153.7 Ų153.781%0.80579%0.789SS**  trans-119.9165.4132.336.3-30.3000112.2
384R37.7Very low41Very low231 Ų231149.6 Ų149.687%0.87278%0.78SS**  trans-143.2153.1173.2-147.5-171.9-175.5168.91.2108.2
385N36.4Very low41.5Very low138 Ų138150.7 Ų150.774%0.73878%0.779SS**  trans8097166.7-48.5-15.4000118.9
386A37.6Very low42.1Very low97 Ų97145.4 Ų145.480%0.80278%0.777SS**  42.9168.2113.900000122.2
387P50.1Low41.7Very low121 Ų121141.8 Ų141.879%0.78677%0.768SS**  cis-128.8-136.6433.8-7.6000114.1
388P55Low41.4Very low113 Ų113138.3 Ų138.373%0.73476%0.762SS**  -133.1-164.7-10645.1-26.1000117.4
389S35.6Very low41.5Very low119 Ų119138.5 Ų138.583%0.83276%0.764SS**  trans84.1146.2165.8-67.70000119.2
390A34.6Very low41.6Very low72 Ų72136 Ų13660%0.59576%0.764SS**  cis-167.7167.5-15.600000112.6
391H36.5Very low41.7Very low177 Ų177135 Ų13582%0.81976%0.764SS**  trans72.6143.7159.7-62.9-31.3000119.7
392S34.6Very low42.2Very low77 Ų77133.9 Ų133.954%0.53877%0.768SS.*  cis-166.3169.5-10.4-103.30000113.3
393Y36.7Very low42.6Very low221 Ų221131.1 Ų131.187%0.86777%0.767SS**  trans112.5141.8156.3-64.8-60.6000117.8
394P53.4Low42.3Very low108 Ų108130 Ų13070%0.70177%0.768SS**  -129.3171.8-11443.7-32.4000116.3
395P47.8Very low42.4Very low111 Ų111128.9 Ų128.972%0.72177%0.766SS**  trans-89.8164.3169.637.8-36.2000113.4
396P51.3Low42.3Very low134 Ų134131.4 Ų131.487%0.8777%0.77SS**  trans-74159.9156.2-2.321.1000110.7
397G34.4Very low42.6Very low68 Ų68132 Ų13270%0.70177%0.766SS**  trans-170.6-173.2179.300000116.7
398H36.2Very low41.8Very low174 Ų174130.7 Ų130.781%0.80676%0.76SS**  trans65.2153.1-179.5-70.9-53.5000116.6D400H398-D400 IonicContact ND1-OD2 2.63Å
399T40.4Very low40.8Very low131 Ų131133.6 Ų133.680%0.80476%0.763SS**  cis-125.5141.816.350.90000115.1
400D39.1Very low40.9Very low137 Ų137133.3 Ų133.373%0.73376%0.761SS**  trans-85160.6168.2-52.1-89.1000112.7H398H398-D400 IonicContact ND1-OD2 2.63Å
401I42Very low41.9Very low157 Ų157134.5 Ų134.581%0.80576%0.763SS**  trans-125.8131.6170.9-62.5177.6000108.1
402P52.8Low42.1Very low113 Ų113136.5 Ų136.573%0.73477%0.765SS**  trans-83.5157.2-170.233.2-36.8000114.3
403P52.7Low42.2Very low130 Ų130141.1 Ų141.184%0.84478%0.782SS**  trans-79.5152.4175.133.7-35.5000112.6
404A44.2Very low42.7Very low101 Ų101135.7 Ų135.784%0.83577%0.774SS**  trans-120.1143.5173.900000111.5
405Y38.5Very low42.5Very low208 Ų208136.4 Ų136.482%0.81678%0.779SS**  trans-105.6174.9-178-124.5-107.2000111.2
406F34.6Very low42.5Very low190 Ų190136.3 Ų136.383%0.83378%0.778SS**  trans105.9151.3159.9-58.8-60.7000118.7
407P43.4Very low42Very low110 Ų110138.5 Ų138.571%0.71478%0.777SS**  trans-137.2-177.6-142.344.3-26.3000117.3
408S34.9Very low42.2Very low93 Ų93143.9 Ų143.965%0.6578%0.783SS**  trans89138.814384.20000123
409H34.1Very low42.1Very low175 Ų175144.2 Ų144.281%0.8179%0.785SS**  trans69.7108154.1-56.7-55.3000123.6
410S36.1Very low41.9Very low113 Ų113145.8 Ų145.879%0.7978%0.783SS**  83.1173.5129.5-124.60000119.1
411P56.2Low41.8Very low96 Ų96148.1 Ų148.162%0.62379%0.789SS**  -137178.7-10142.1-23.2000117.6
412Y39.8Very low41.7Very low220 Ų220148.3 Ų148.386%0.86379%0.786SS**  trans62.3127.9164.9-75.9-77.5000120.5
413L36.7Very low41.1Very low173 Ų173152.1 Ų152.191%0.90679%0.793SS**  176.2157.1128.2-92.3162.9000110.8
414P47.4Very low41Very low107 Ų107151 Ų15170%0.69579%0.786SS**PPolyproline II helixtrans-97166.1-168.338.3-36.9000115.6
415P49.8Very low40.6Very low123 Ų123156.2 Ų156.280%0.79979%0.79SS**PPolyproline II helixtrans-80.8148.7177.932.9-35.7000114
416P47.3Very low40.9Very low110 Ų110151.9 Ų151.971%0.71479%0.79SS**PPolyproline II helixtrans-92.7156.5-179.736.3-35.5000114.5
417H42.3Very low41.3Very low180 Ų180148.6 Ų148.683%0.83379%0.788SS**PPolyproline II helixtrans-73.9148172.6-53.9-90.4000112.7
418H36.7Very low41.5Very low180 Ų180148.6 Ų148.683%0.83379%0.788SS**  trans-119.9140.9162.2-86.8-70.1000111.7
419H35.9Very low42.1Very low182 Ų182149.7 Ų149.784%0.84380%0.796SS**  trans-95.8162.5-176.8-98.951.3000113.2
420H36Very low42.4Very low164 Ų164150.3 Ų150.376%0.75980%0.797SS**  trans-63.6156.6-176.5-60.9-5.4000115.1
421H36.3Very low42.7Very low186 Ų186150 Ų15086%0.86179%0.792SS**  trans-131.9159.5141.8-10024.9000110.5
422H39.7Very low42Very low161 Ų161153.7 Ų153.775%0.74581%0.805SS**  trans-98.4149.3-153.4-52.4-100.9000114.9
423H41.5Very low42.3Very low192 Ų192153.2 Ų153.289%0.88980%0.804SS**  trans-139.3154.1143.8-84.1-64.3000111.2
424P49.7Very low43.6Very low106 Ų106150.1 Ų150.169%0.68879%0.794SS**  trans-111.5142.2-162.138.3-29.3000114.8
425F35.8Very low44.2Very low211 Ų211150.3 Ų150.393%0.92580%0.795SS**  trans-171.2141.2138.2-98.3-64.6000108.8
426S45.4Very low44.4Very low117 Ų117150.5 Ų150.582%0.81880%0.796SS**  trans-149116.6-175-52.90000113.1
427P43.3Very low44.9Very low121 Ų121153.1 Ų153.179%0.78680%0.803SS**PPolyproline II helixtrans-86.4172.2158.335.1-29.6000110.8
428P46.6Very low45.8Very low110 Ų110149.7 Ų149.771%0.71480%0.797SS**PPolyproline II helixtrans-85.6155.9-148.232.2-36.9000116.7
429S46.5Very low46.7Very low117 Ų117146.7 Ų146.782%0.81879%0.793SS**PPolyproline II helixtrans-65.8130173.453.20000113.6
430F41.7Very low47.3Very low188 Ų188143.1 Ų143.183%0.82579%0.786SS**PPolyproline II helixtrans-99.5153.7155.5-81.4-91.8000109.9
431P42.9Very low47.6Very low106 Ų106140.1 Ų140.169%0.68879%0.79SS**PPolyproline II helixtrans-72.2138.3-16928.4-35000112.8Y433P431-Y433 PolarHBondContact O-N 3.1Å
432L40.4Very low47.9Very low173 Ų173140.2 Ų140.291%0.90679%0.788SS**PPolyproline II helixtrans-64.9118.4165.5-68.3168.5000109.1
433Y46.1Very low47.6Very low211 Ų211141.6 Ų141.683%0.82779%0.792SS**PPolyproline II helixtrans-69.7137.4167.1-86.8-103000109.7P431P431-Y433 PolarHBondContact O-N 3.1Å
434P63.9Low47.4Very low108 Ų108139.1 Ų139.170%0.70179%0.786SS**PPolyproline II helixtrans-70.5152.7167.831.6-34.2000110.4
435P61.3Low47.4Very low111 Ų111138.7 Ų138.772%0.72178%0.783SS**PPolyproline II helixtrans-63.3154.4171.128.5-34.9000111.3
436P53.2Low47.7Very low127 Ų127133.5 Ų133.583%0.82577%0.773SS**PPolyproline II helixtrans-66.7146.1-175.827.5-35000112.8
437L57.3Low47.5Very low165 Ų165137.7 Ų137.786%0.86478%0.777SS**PPolyproline II helixtrans-77.8144.7174.5-70.1165.2000111.1
438P60.7Low47.5Very low108 Ų108137.2 Ų137.270%0.70178%0.776SS**PPolyproline II helixtrans-69.4155.4170.830.5-35.1000111.7
439P55.9Low47.1Very low116 Ų116137.8 Ų137.875%0.75378%0.78SS**PPolyproline II helixtrans-68.7154.2-179.328.7-35.4000112.9
440P50.1Low46.7Very low107 Ų107137 Ų13770%0.69577%0.774SS**PPolyproline II helixtrans-74.3130-175.929.9-34.9000112.5F442P440-F442 HydrophobicContact CG-CE2 4.39Å
441A41.2Very low46.5Very low102 Ų102137.7 Ų137.784%0.84378%0.778SS**PPolyproline II helixtrans-77.5125.4176.200000112
442F41.9Very low46.2Very low187 Ų187144.1 Ų144.182%0.8279%0.788SS**  trans-110.4104.7168.7-78.7-84.2000111.2P440P440-F442 HydrophobicContact CG-CE2 4.39Å
443F33.6Very low46.1Very low190 Ų190144 Ų14483%0.83378%0.783SS**  trans67.888.2142.5-129.5-98.1000120.8
444N37.7Very low45.9Very low140 Ų140138.9 Ų138.975%0.74978%0.776SS**  trans73.5161.6134.6-129.734.7000119
445P49Very low44.9Very low97 Ų97141.7 Ų141.763%0.6379%0.785SS**  cis-125.4170-48.233-18.6000114.3
446S43.8Very low44Very low103 Ų103141.9 Ų141.972%0.7279%0.788SS**  trans93.2155.1159.2-35.90000118.6
447F39.6Very low43.6Very low204 Ų204142.8 Ų142.890%0.89579%0.791SS**  trans62.489.9174-71.5-80.1000118.5
448S43.7Very low43.1Very low111 Ų111140 Ų14078%0.77678%0.783SS**PPolyproline II helixtrans-85130156.9-42.50000110.5
449P37.7Very low42.3Very low123 Ų123145.1 Ų145.180%0.79979%0.79SS**PPolyproline II helixtrans-83.3124.6156.232-28.6000109.3
450S40.1Very low42Very low99 Ų99144.4 Ų144.469%0.69278%0.784SS**PPolyproline II helixtrans-79.5141.2176.6-65.40000111.7W452S450-W452 PolarHBondContact O-N 3.1Å
451F36.1Very low41.9Very low203 Ų203145.8 Ų145.889%0.8979%0.785SS**PPolyproline II helixtrans-58.6134.2165-82.3-110.6000110.1
452W37.8Very low42.6Very low241 Ų241149.5 Ų149.591%0.91378%0.783SS**PPolyproline II helixtrans-92.1133.9174-78.276000111S450S450-W452 PolarHBondContact O-N 3.1Å
453H37.2Very low43.9Very low170 Ų170146 Ų14679%0.78778%0.778SS**  trans-133.6159164.4-98.1-96.5000108.4
454P42.2Very low45.9Very low105 Ų105142.4 Ų142.468%0.68277%0.774SS**  trans-83.4146.9-147.929.7-36.7000116.5
455N43.5Very low47.6Very low167 Ų167141.2 Ų141.289%0.89377%0.774SS**  trans3883.1150.5-72.3-15.7000118.8
456S41.8Very low48.9Very low114 Ų114142.1 Ų142.180%0.79778%0.78SS**  trans-154.487146.247.50000111.6P458S456-P458 WeakPolarHBondContact O-CD 3.44Å
457V44.9Very low50.7Low146 Ų146142.7 Ų142.789%0.88578%0.781SS**PPolyproline II helixtrans-85.4120.6173.9-76.10000111
458P47.4Very low52.5Low107 Ų107138.3 Ų138.370%0.69577%0.773SS**PPolyproline II helixtrans-73.1147163.831.8-33000109.9S456 V460S456-P458 WeakPolarHBondContact O-CD 3.44Å; P458-V460 PolarHBondContact O-N 3.07Å
459Y43.4Very low54.2Low215 Ų215138.6 Ų138.684%0.84377%0.773SS**PPolyproline II helixtrans-67.1125.2176-165.1-93.2000109.9
460V48.9Very low56.2Low102 Ų102138.4 Ų138.462%0.61877%0.771SS**  trans-125.6120.7175.6-177.30000108.2P458 F462P458-V460 PolarHBondContact O-N 3.07Å; V460-F462 PolarHBondContact O-N 3.37Å; V460-F462 VanDerWaalsContact O-N 3.16Å
461D48.9Very low58.1Low135 Ų135139 Ų13972%0.72277%0.773SS**  trans-64.8111.6179.6-72.8-66.5000111.5
462F54.8Low60Low181 Ų181135.1 Ų135.179%0.79477%0.768SS**PPolyproline II helixtrans-89.8133.1158.1-77.7-89.8000108.9V460V460-F462 PolarHBondContact O-N 3.37Å; V460-F462 VanDerWaalsContact O-N 3.16Å
463P69.9Low61.8Low112 Ų112132 Ų13273%0.72776%0.763SS**PPolyproline II helixtrans-63.1143.2172.328-34000109.9
464P75.7Confident63.8Low116 Ų116129.4 Ų129.475%0.75376%0.761SS**PPolyproline II helixtrans-63.2149.2-178.926.7-34.8000111.4
465P73Confident65.3Low114 Ų114130.5 Ų130.574%0.7477%0.768SS**PPolyproline II helixtrans-61.6151.7177.527.1-35000111.3
466P76.8Confident66.7Low117 Ų117127.6 Ų127.676%0.7676%0.762SS**PPolyproline II helixtrans-61.7147.117827.1-34.9000111.1
467P80.8Confident68.1Low114 Ų114127.5 Ų127.574%0.7476%0.758SS**PPolyproline II helixtrans-64.2151.2178.428.1-35.2000111.3
468P77.4Confident69.3Low113 Ų113126.8 Ų126.873%0.73476%0.756SS**PPolyproline II helixtrans-62.1153176.327.6-35.2000111.5
469P79.1Confident69.9Low117 Ų117134.4 Ų134.476%0.7678%0.782SS**PPolyproline II helixtrans-61.5147.8177.327-34.9000111.3
470P81Confident71.2Confident118 Ų118130.4 Ų130.477%0.76678%0.779SS**PPolyproline II helixtrans-64.3148.517828.3-35000111.1
471P78.8Confident72.4Confident113 Ų113131.8 Ų131.873%0.73479%0.787SS**PPolyproline II helixtrans-62.6150.9176.327.6-35000111.2
472P76.7Confident73.7Confident121 Ų121131.7 Ų131.779%0.78679%0.791SS**PPolyproline II helixtrans-60.2141.3177.126-34.2000110.9
473H76.7Confident74.8Confident174 Ų174128.8 Ų128.881%0.80679%0.791SS**PPolyproline II helixtrans-65.7141.8177.624.5-95.9000110.9
474P77.4Confident75.1Confident116 Ų116129.8 Ų129.875%0.75380%0.795SS**PPolyproline II helixtrans-64.1146.4178.828-35000110.7S476P474-S476 PolarHBondContact O-N 3.33Å
475P73.6Confident75.1Confident128 Ų128130.7 Ų130.783%0.83180%0.798SS**PPolyproline II helixtrans-62130.1178.425.8-33.8000110.5
476S73.9Confident75.2Confident107 Ų107131.9 Ų131.975%0.74880%0.802SS**PPolyproline II helixtrans-63.1139.5173.1490000110.5P474P474-S476 PolarHBondContact O-N 3.33Å
477P70.4Confident75.1Confident112 Ų112133.1 Ų133.173%0.72781%0.805SS**PPolyproline II helixtrans-63.5150.4-179.227.6-35.2000111.8
478P70.2Confident74.6Confident130 Ų130134.7 Ų134.784%0.84481%0.81SS**PPolyproline II helixtrans-64.9156.3173.829.3-35.2000111.7
479H60.2Low74.4Confident267 Ų267136.6 Ų136.6100%1.23682%0.817SS**  trans-830-174.6-111-58.5000114.2

Retrieved 479 of 479 residues in 132.4 ms (Link to these results)