A0A087X3B4_POEFO Loading...

Eukaryotic translation elongation factor 1 delta b (guanine nucleotide exchange protein)

AlphaFold DB , UniProt , Accession A0A087X3B4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 778 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.5Very low36.3Very low235 Ų235153.4 Ų153.4100%1.15878%0.783SS**  0135.90-87.5161.5160.900108.5
2I35Very low35.7Very low144 Ų144155.5 Ų155.574%0.73878%0.783SS**  trans60.186.6154-56.8172000114.6
3H38.5Very low35.4Very low148 Ų148155.3 Ų155.369%0.68578%0.777SS**  92.7150.2100.9-82.6-24.8000113
4K38.7Very low35.3Very low151 Ų151152.2 Ų152.266%0.65777%0.771SS**  cis-160.91429.6-127.6155.1-174.5176.30110.7
5H36.6Very low34.9Very low153 Ų153152.6 Ų152.671%0.70878%0.776SS**  trans53.4152.9132.9-81.6-112.7000122.6
6T34.6Very low34.6Very low119 Ų119148.4 Ų148.473%0.7377%0.772SS**  cis-167.8148.2-25.916.80000107.7
7S31.8Very low34.3Very low110 Ų110145.9 Ų145.977%0.76978%0.777SS**  trans-102.4-172.1166-139.60000109.5
8P56.5Low34.3Very low111 Ų111142.9 Ų142.972%0.72178%0.776SS**  cis-135.6-171.9-22.133.1-11000114.2
9F31.3Very low35.2Very low202 Ų202141.2 Ų141.289%0.88677%0.773SS**  trans6.6130.7151.7-97.5-108.5000122.2
10L31Very low34.9Very low160 Ų160139.5 Ų139.584%0.83877%0.771SS**  trans-173.6177.4144.6-129.457.4000112.1
11Q32.1Very low34.6Very low154 Ų154140.6 Ų140.672%0.7277%0.768SS**  -155.2124.2-81.9-172.6177.7-13.200114.2
12F29.1Very low34.5Very low179 Ų179138 Ų13879%0.78575%0.75SS**  trans60.3148.1158.7-87.3-108.4000124.5
13H31.8Very low34.4Very low153 Ų153136.6 Ų136.671%0.70874%0.744SS**  trans100.4127.5136.9-104-63000125.4
14T33Very low34.1Very low112 Ų112136.4 Ų136.469%0.68775%0.747SS**  trans87.5139.5148.462.70000124.2
15N29.5Very low33.9Very low158 Ų158135.5 Ų135.585%0.84575%0.749SS**  trans100.2144167.8-63.1-45.2000117.2
16A30.8Very low33.6Very low86 Ų86135.8 Ų135.871%0.71175%0.748SS**  cis-170.8159.6-26.400000108.9
17A29.8Very low33.3Very low105 Ų105138.6 Ų138.687%0.86875%0.751SS**  trans65.6122160.300000121.2
18A33.9Very low33.4Very low92 Ų92140.3 Ų140.376%0.7675%0.75SS**  trans-93.7-174.7140.700000108
19P51.4Low32.7Very low110 Ų110140.6 Ų140.671%0.71475%0.753SS**  cis-143.3-160.27.232.4-5.7000114.8
20C29.6Very low32.7Very low107 Ų107136.8 Ų136.872%0.72375%0.746SS**  trans76.8149.5155.2-61.20000118.9
21F28.7Very low32.6Very low163 Ų163135 Ų13572%0.71574%0.741SS**  cis-165.6177.5-17.2-133.4-100000109.3L23F21-L23 HydrophobicContact CE1-CD1 4.34Å
22F30.7Very low32.5Very low180 Ų180133 Ų13379%0.78974%0.739SS**  trans77.5115.4175-74.5-89.4000117.8
23L33.3Very low32.4Very low115 Ų115133.1 Ų133.160%0.60274%0.742SS**  cis90.8112.431.2-80.6161.5000117F21 L25F21-L23 HydrophobicContact CE1-CD1 4.34Å; L23-L25 HydrophobicContact CD2-CD1 4.37Å
24L31.2Very low32.2Very low144 Ų144130.8 Ų130.875%0.75474%0.743SS**  163.7103128.2-88.3154.4000107.7F26L24-F26 HydrophobicContact CD2-CD2 4.48Å
25L34.7Very low32Very low133 Ų133130 Ų13070%0.69675%0.748SS**  45.5122.179.1-69.1172.1000114.4L23L23-L25 HydrophobicContact CD2-CD1 4.37Å
26F29.9Very low32Very low158 Ų158125.9 Ų125.969%0.69374%0.743SS**  175.8120.9106.4-106.5-102.7000113.3L24L24-F26 HydrophobicContact CD2-CD2 4.48Å
27F29.5Very low31.8Very low179 Ų179130.2 Ų130.279%0.78575%0.748SS**  trans70.9131.3141-82.7-120.5000124.8
28L33.6Very low31.8Very low145 Ų145130.6 Ų130.676%0.75974%0.74SS**  trans-79.1158.9149.8-77.797.1000111.3
29P42.4Very low31.5Very low118 Ų118137.3 Ų137.377%0.76675%0.745SS**  -128.3147.6110.66.515.7000111.6
30V30.4Very low30.4Very low122 Ų122138.2 Ų138.274%0.73975%0.749SS**  84.2127.352174.50000114.1
31V29.2Very low30.4Very low121 Ų121140.2 Ų140.273%0.73375%0.751SS**  trans90.4100.9155.7154.70000122.1
32T28.8Very low31.2Very low113 Ų113138.5 Ų138.569%0.69376%0.757SS**  37.5142.2129.674.90000125.7
33H28.7Very low31.2Very low182 Ų182136.5 Ų136.584%0.84376%0.76SS**  trans81127.9133.7-103.9-106.7000123.2
34S27.2Very low30.9Very low104 Ų104134.7 Ų134.773%0.72777%0.768SS**  98.9114.2128.7-156.70000121.5
35A29.4Very low30.8Very low96 Ų96135.4 Ų135.479%0.79377%0.772SS**  trans54.2137133.300000123.1
36G27.8Very low30.4Very low71 Ų71139.8 Ų139.873%0.73278%0.779SS**  120.8132.5112.900000119.7
37E27.9Very low30.4Very low177 Ų177139 Ų13983%0.82778%0.782SS**  trans69.199.5147.8-74.1-176.58800123.1
38T29.4Very low30.3Very low112 Ų112138.7 Ų138.769%0.68778%0.782SS**  37.5133.4113.363.10000122.3
39R27.3Very low30.3Very low233 Ų233143.2 Ų143.288%0.87979%0.789SS**  trans164154.1130.9-92.2166.2-173.2-1565.2109.5
40V28.6Very low29.8Very low130 Ų130146.5 Ų146.579%0.78879%0.792SS**  cis-160.1165-19.1120.60000108.5
41L30.2Very low29.7Very low148 Ų148149.2 Ų149.278%0.77579%0.793SS**  trans-50.8172.4177.2-63.5163.9000116.6
42P44.3Very low29.7Very low128 Ų128147.7 Ų147.783%0.83178%0.781SS**  -125153114.936.6-32.5000116.5
43T30.8Very low30Very low138 Ų138150 Ų15085%0.84778%0.782SS**  trans-63153.4-172.748.30000118.9
44G27.3Very low29.9Very low76 Ų76147.6 Ų147.678%0.78478%0.775SS**  trans-162.1119.2162.300000115.5
45L29Very low30Very low160 Ų160147.8 Ų147.884%0.83877%0.772SS**  trans-52.8166.3179-62137.1000115.4
46R26Very low30Very low225 Ų225148.9 Ų148.985%0.84977%0.769SS**  cis-164161.921.2-149.9171.2-170.3151.32.6113.4
47L29.9Very low30Very low142 Ų142153.6 Ų153.674%0.74377%0.774SS**  trans-66.6158.1176.1-65.668.2000115.7
48H27.1Very low30.1Very low172 Ų172149.7 Ų149.780%0.79677%0.766SS**  -170.1149.999.8-111.51.4000118
49R33.9Very low30.3Very low240 Ų240153.4 Ų153.491%0.90677%0.773SS**  trans-140.1130.6176.4-172.7-171.2-168.4-160.76.4108.6
50K31.5Very low30.4Very low187 Ų187151.1 Ų151.181%0.81377%0.769SS**  trans-174.1135169.1-111.9167.4-177.2172.50106.7
51K28.5Very low30.4Very low178 Ų178152.3 Ų152.377%0.77477%0.769SS**  -157.2171.250.1-90178.3152.6-172.70108.8
52D29.8Very low30.1Very low90 Ų90150.8 Ų150.848%0.48177%0.771SS.*  cis-158.6144.9-4.9-113.8-35.8000108
53K34.8Very low29.3Very low162 Ų162153.2 Ų153.270%0.70477%0.772SS**  trans51.3145.5138.5-64.3165-171.7131.70120.6
54N26.9Very low29Very low131 Ų131152.4 Ų152.470%0.70177%0.77SS**  cis-163.7144.826.6-121.79.5000109.1
55T29.6Very low28.9Very low108 Ų108153.8 Ų153.866%0.66377%0.768SS**  68.6123.2106-54.90000114.4
56T28.3Very low28.8Very low119 Ų119152 Ų15273%0.7376%0.763SS**  cis-168.5149.618.615.80000114.6
57M29.4Very low28.9Very low170 Ų170150 Ų15084%0.83776%0.76SS**  trans53.6136.3135.3-67.3-71.6-163.900126
58S28.9Very low28.8Very low94 Ų94149.4 Ų149.466%0.65776%0.758SS**  trans100.5103.5132.6-75.90000123.9
59K33.2Very low28.7Very low191 Ų191150.3 Ų150.383%0.8376%0.763SS**  60.8132.4120.8-71.4177.4176.9172.10123.5
60K29.9Very low28.7Very low184 Ų184143.8 Ų143.880%0.875%0.754SS**  trans82112.8142-87.5-168.2169.3-171.40121.5
61I28.6Very low28.4Very low155 Ų155143.6 Ų143.680%0.79576%0.756SS**  34.3115.9116.8-51168.5000117.7
62S25.3Very low28.4Very low117 Ų117142.2 Ų142.282%0.81875%0.752SS**  -175.8179.7116.6-154.30000113
63Q27.1Very low28.1Very low179 Ų179145 Ų14584%0.83677%0.767SS**  trans-89.2151.4-165.9-63.6175.7-27.300116.5
64C24.2Very low27.9Very low120 Ų120145.4 Ų145.481%0.81177%0.771SS**  41.4128.1127.1-146.70000123.1
65S25.3Very low29.2Very low105 Ų105144 Ų14473%0.73477%0.77SS**  110148.3127.3-143.20000122
66V26.3Very low30.1Very low124 Ų124144.4 Ų144.475%0.75277%0.774SS**  trans81.4104.3158.2-164.70000121.9
67K28.8Very low30.1Very low181 Ų181143 Ų14379%0.78777%0.769SS**  trans36.8137.2134-72.5179172.3178.50125.6
68D27.8Very low30.1Very low130 Ų130143.6 Ų143.670%0.69577%0.77SS**  trans54.6116.3138.6-67.1-52.5000122
69Q24.5Very low30Very low192 Ų192143.2 Ų143.290%0.89777%0.767SS**  -166.7164.9108.2-107.2158101.900115.4
70S33Very low29.9Very low103 Ų103142 Ų14272%0.7276%0.764SS**  trans-90.5166.2-174.753.20000114.9
71E25.5Very low29.8Very low182 Ų182139.6 Ų139.685%0.8576%0.759SS**  trans176.9158.4145.6-99.9-176131.700108.4
72H28.2Very low29.7Very low149 Ų149138.1 Ų138.169%0.6975%0.753SS**  cis-164.3150.4-27.5-156.9-85.8000107.6
73D25.3Very low29.9Very low148 Ų148140.2 Ų140.279%0.79175%0.75SS**  trans151.7136.1135.4-81.9-23.1000118.3
74Q29.9Very low29.8Very low172 Ų172138.8 Ų138.880%0.80475%0.753SS**  trans-161.7-160.3-176.3-128.1-162.916.600106.5
75P53.2Low29.9Very low102 Ų102140.5 Ų140.566%0.66276%0.755SS**  cis-101.9-99-3.431-10.6000111
76P49.9Very low30.1Very low115 Ų115144.2 Ų144.275%0.74777%0.765SS**  cis-112.6173.9-21.241.2-28.1000113.1
77S28.4Very low30Very low90 Ų90141.7 Ų141.763%0.62976%0.764SS**  cis-162.1134.6-20450000111.5
78Q28.3Very low29.9Very low183 Ų183138.5 Ų138.586%0.85576%0.764SS**  trans63.6152.8138.6-67.8177.6-23.700122.9
79S28.3Very low29.8Very low85 Ų85140.4 Ų140.459%0.59477%0.765SS**  cis-178.6171.5-24.959.40000112.6
80Q30.1Very low29.9Very low166 Ų166139.9 Ų139.978%0.77676%0.76SS**  trans74.7152.8148.1-81.8-175.5-3.400119.8
81L28.4Very low29.6Very low134 Ų134143.3 Ų143.370%0.70276%0.762SS**  cis-150.61420.6-96.2142.8000106.5
82D26.8Very low29.7Very low123 Ų123140.3 Ų140.366%0.65876%0.757SS**  106.4167.971.2-154.75.6000113.6
83Q28.6Very low29.7Very low161 Ų161141.5 Ų141.575%0.75276%0.762SS**  trans-87162.1-152.6-61.9154.77200117.4
84T25.3Very low30.6Very low149 Ų149140.3 Ų140.391%0.91476%0.763SS**  179.6166.1119.828.50000115.4
85N26.6Very low30.5Very low157 Ų157135.3 Ų135.384%0.8476%0.757SS**  trans-64.6154.2-173.1-80.6-80000117.5
86L28.8Very low29.5Very low183 Ų183139 Ų13996%0.95877%0.766SS**  -167.8153.7125.9-100.8167.1000109.3
87G25.1Very low28.6Very low70 Ų70143.3 Ų143.372%0.72277%0.767SS**  trans-149-155.9-17000000117
88C25Very low28.7Very low115 Ų115146.1 Ų146.178%0.77778%0.775SS**  trans83.3106.4169.3-141.80000117.9
89K26.1Very low28.7Very low169 Ų169140.3 Ų140.374%0.73576%0.764SS**  159125.9105-85.4168.7-171.7164.60114.1
90K27.7Very low28.6Very low181 Ų181145.4 Ų145.479%0.78778%0.778SS**  trans60150.7131.8-61.2-177.5-178.2-177.80118.3
91K26.6Very low28.7Very low175 Ų175143 Ų14376%0.76178%0.775SS**  cis-164.6148-1.2-121.9-171.3172.4-166.70108.8
92T27Very low28.7Very low120 Ų120143 Ų14374%0.73678%0.781SS**  trans36134.2141-17.60000123.4
93E29.4Very low28.9Very low173 Ų173142 Ų14281%0.80878%0.784SS**  trans-39.2169.5137.4-99.4-165.4141.600114.7
94P43.8Very low28.9Very low124 Ų124139.7 Ų139.781%0.80579%0.786SS**  cis-144.4-165.738.440.5-17.9000115.6
95G28.1Very low29.2Very low66 Ų66138 Ų13868%0.6878%0.78SS**  trans-113.5-153.6-177.200000117.1
96Q31.4Very low30.3Very low181 Ų181136.2 Ų136.285%0.84678%0.777SS**  trans81.8125.6173.6-66.5-163-27.700121.4
97R30.6Very low30.4Very low205 Ų205135.9 Ų135.977%0.77477%0.77SS**  96136.3130-93.5-173.2-176.5-144.31.3123.2
98N29.8Very low30.7Very low149 Ų149137.5 Ų137.580%0.79777%0.77SS**  trans73.5145.7156.9-46.5-21.3000117.3
99G28.5Very low30.7Very low61 Ų61135.8 Ų135.863%0.62977%0.773SS**  cis175.6177.7-4.200000112.3
100E27.8Very low30.9Very low191 Ų191133.4 Ų133.489%0.89378%0.777SS**  trans68.4145.5162.4-65.2171.5118.600119
101T31.6Very low31.1Very low115 Ų115132.4 Ų132.471%0.70678%0.779SS**  cis165.7137.7-31.826.70000107.2
102T29.1Very low31.3Very low134 Ų134131.5 Ų131.582%0.82278%0.783SS**  trans158.3112.2153.532.70000110
103S29.9Very low31.4Very low104 Ų104129.6 Ų129.673%0.72779%0.787SS**  60.9138.591.669.30000115.7
104S29.1Very low31.4Very low112 Ų112129.9 Ų129.978%0.78379%0.794SS**  cis-176.9161.82.940.10000111.7
105S30.4Very low30.8Very low113 Ų113127.8 Ų127.879%0.7980%0.796SS**  trans-83.2165.9162.2-53.50000112.1
106P49.8Very low31.1Very low119 Ų119134.5 Ų134.577%0.77381%0.806SS**  -141.1169.387.221.43.8000112.9
107E31.1Very low31.2Very low176 Ų176137 Ų13782%0.82281%0.808SS**  57.7142.262.4-82.7-142.57300116.9
108S31.3Very low31.1Very low104 Ų104133.2 Ų133.273%0.72781%0.813SS**  cis-170.5176.2-19.752.20000110.9
109G26.2Very low31.2Very low80 Ų80129.8 Ų129.883%0.82581%0.812SS**  trans157.8136.1168.500000119.6
110S29.6Very low31.3Very low118 Ų118137.3 Ų137.383%0.82583%0.828SS**  trans-96.3160.8176-56.70000113.4
111L32.9Very low31.3Very low160 Ų160134 Ų13484%0.83883%0.825SS**  trans173.8151.3131.2-94.1162.5000116
112N29.8Very low31.4Very low156 Ų156140.2 Ų140.283%0.83484%0.836SS**  trans-40.6159.3179.8-50.7-25.4000120.5
113G30.1Very low31.5Very low80 Ų80145.1 Ų145.183%0.82584%0.839SS**  trans156.8116.5146.900000119.5
114N28.6Very low31.4Very low179 Ų179150.4 Ų150.496%0.95784%0.843SS**  trans-41.8150.9173.5-78.5-27.6000118.9
115G30.6Very low31.4Very low81 Ų81151.9 Ų151.984%0.83584%0.836SS**  trans174.7106.6157.400000116.2
116K35.8Very low31.4Very low206 Ų206156.6 Ų156.690%0.89684%0.842SS**  trans-76.9133.7174.6-66.1178.3177.6178.80111.8
117R31.9Very low30.6Very low234 Ų234161.1 Ų161.188%0.88384%0.844SS**  160.1147121.2-89.4176.1176.3-134.5-1.6114.2
118S29.4Very low30.6Very low126 Ų126158 Ų15888%0.88184%0.841SS**  trans72.4139.4156.173.20000120.7
119G32.3Very low30.5Very low76 Ų76158.5 Ų158.578%0.78485%0.845SS**  trans84.766.9146.600000119.4S121G119-S121 PolarHBondContact O-N 2.9Å
120K30.3Very low30.6Very low220 Ų220161.9 Ų161.996%0.95784%0.844SS**  trans-91.776.7164.5-79.1-178.3178.3173.80112.2
121S27.8Very low31.4Very low120 Ų120161.8 Ų161.884%0.83984%0.84SS**  trans-89.5114.9160-179.90000109.4G119 R123G119-S121 PolarHBondContact O-N 2.9Å; S121-R123 PolarHBondContact O-N 3.06Å
122R34Very low31.2Very low247 Ų247157.2 Ų157.293%0.93283%0.832SS**  trans-91.585.1-169-130.2174.5-178.6164.9-3.5112.6
123R29.9Very low31.1Very low237 Ų237154.7 Ų154.789%0.89483%0.826SS**  trans4097.2135.2-162163.4-172.7174.21.7119.8S121S121-R123 PolarHBondContact O-N 3.06Å
124R28.3Very low31.1Very low215 Ų215159.2 Ų159.281%0.81183%0.826SS**  trans-41.8160138-89.3-179.3165.5179.7-3112.1
125K30.3Very low31Very low142 Ų142158.2 Ų158.262%0.61782%0.815SS**  cis171.1139.4-4165.9172.4-176.9162.20107.6
126K30Very low30.9Very low213 Ų213163.1 Ų163.193%0.92682%0.816SS**  trans-176.9149.5151.9-110.9-179.5-177.9-172.30111.6
127R32.5Very low30.4Very low214 Ų214157.3 Ų157.381%0.80881%0.814SS**  -159.2114.9-74.7179.6-176.7-165-164.33.8110.4
128S31.3Very low30.2Very low110 Ų110155.4 Ų155.477%0.76981%0.813SS**  trans-165.8152.4168.836.70000106
129S30.1Very low29.9Very low115 Ų115154.6 Ų154.680%0.80480%0.803SS**  cis-134.3-137.4-23.3-74.60000107.6
130N26.7Very low29.7Very low150 Ų150158.2 Ų158.280%0.80280%0.804SS**  trans-169.3176.7164-128.328.3000109.4
131P47Very low29.6Very low116 Ų116156 Ų15675%0.75380%0.797SS**  cis-123.6178.7-538.9-22.2000113.5
132G28.4Very low29.6Very low64 Ų64155.8 Ų155.866%0.6679%0.79SS**  cis118.6138.1-6.100000114.4
133S29Very low29.3Very low103 Ų103152.9 Ų152.972%0.7278%0.784SS**  cis179.5154.4-7.553.90000113.6
134H28.2Very low29.1Very low176 Ų176147.3 Ų147.382%0.81577%0.773SS**  trans72.4166.8163.6-71-88.6000121.2
135H28.3Very low28.9Very low158 Ų158141 Ų14173%0.73175%0.751SS**  cis161.2143.3-39.2-136.3-69.6000109.4
136E28Very low28.7Very low184 Ų184137.1 Ų137.186%0.8674%0.735SS**  trans64144162-53.8-145.212000122.8
137G25.6Very low28.9Very low83 Ų83130.5 Ų130.586%0.85671%0.706SS**  trans160.991.6163.700000117.5
138K25.9Very low29.3Very low194 Ų194124.1 Ų124.184%0.84369%0.693SS**  trans-54.1155.4179.5-96.2178.3171.21740120.1
139T25Very low29.3Very low110 Ų110123.8 Ų123.868%0.67568%0.682SS**  trans71.6120.3140.349.10000124.5
140D26.6Very low29.2Very low151 Ų151127.5 Ų127.581%0.80769%0.687SS**  83.2139.2126.5-62.9-34.1000126.3
141E28.6Very low29.2Very low175 Ų175128 Ų12882%0.81868%0.684SS**  trans72.7105.4159.3-70.3-152.578.700125.3
142V28.5Very low28.4Very low115 Ų115126.9 Ų126.970%0.69768%0.675SS**  64.1107124.1-175.90000120.5
143K27.1Very low28.4Very low185 Ų185129.5 Ų129.580%0.80468%0.684SS**  -169114.6107.8-130168.5-178.6170.20115.5
144N25.5Very low28.4Very low121 Ų121130.8 Ų130.865%0.64768%0.678SS**  trans43.9120.2142.4-82.3-42.6000123.3
145K24.8Very low28.3Very low83 Ų83127.6 Ų127.636%0.36168%0.675SS.*  95.1133.6119.9-93.1-163.7-173.3-166.20122.5N544 S547 N548K145-N544 HydrophobicContact CG-CB 4.07Å; K145-S547 WeakPolarHBondContact CE-OG 3.36Å; K145-S547 PolarHBondContact NZ-O 3.07Å; K145-S547 PolarHBondContact NZ-OG 2.68Å; K145-N548 VanDerWaalsContact CD-CG 3.47Å; K145-N548 WeakPolarHBondContact CD-ND2 3.42Å; K145-N548 WeakPolarHBondContact CD-OD1 3.29Å; K145-N548 PolarHBondContact NZ-OD1 3.36Å
146E25.1Very low28.8Very low59 Ų59125.5 Ų125.528%0.27668%0.676SS.*  trans88.584.4154.4-34.7-105.3-7400120.7N544 T545 L546 S547 N548E146-N544 WeakPolarHBondContact CA-O 3.43Å; E146-N544 VanDerWaalsContact CB-O 3.32Å; E146-N544 WeakPolarHBondContact CB-O 3.45Å; E146-N544 WeakPolarHBondContact CG-O 3.22Å; E146-N544 PolarHBondContact N-O 2.78Å; E146-T545 VanDerWaalsContact OE2-C 3.25Å; E146-T545 VanDerWaalsContact OE2-CA 3.27Å; E146-T545 WeakPolarHBondContact OE2-CA 3.46Å; E146-T545 PolarHBondContact OE2-N 3.21Å; E146-L546 PolarHBondContact OE2-N 3.15Å; E146-S547 PolarHBondContact OE1-N 2.92Å; E146-S547 WeakPolarHBondContact OE2-CA 3.46Å; E146-S547 PolarHBondContact OE2-N 2.69Å; E146-S547 PolarHBondContact OE2-OG 3.01Å; E146-N548 HydrophobicContact CG-CB 4.01Å; E146-N548 WeakPolarHBondContact OE1-CA 3.45Å; E146-N548 WeakPolarHBondContact OE1-CB 3.28Å; E146-N548 PolarHBondContact OE1-N 3.48Å; E146-N548 PolarHBondContact OE2-N 2.98Å
147K34.9Very low29.1Very low74 Ų74126 Ų12632%0.32268%0.678SS.*  trans-49.8-161.4142.4-117.9-163.7-176.8-152.20112.1D149 S538 L542 T545K147-D149 WeakPolarHBondContact CD-OD1 3.22Å; K147-D149 WeakPolarHBondContact CD-OD2 3.38Å; K147-D149 WeakPolarHBondContact CE-OD1 3.45Å; K147-D149 WeakPolarHBondContact CE-OD2 3.41Å; K147-D149 IonicContact NZ-OD1 2.74Å; K147-D149 PolarHBondContact NZ-OD1 2.99Å; K147-D149 IonicContact NZ-OD2 2.87Å; K147-D149 PolarHBondContact NZ-OD2 2.9Å; K147-S538 PolarHBondContact NZ-O 2.95Å; K147-L542 HydrophobicContact CD-CD1 4.24Å; K147-T545 HydrophobicContact CB-CG2 3.17Å; K147-T545 VanDerWaalsContact N-CG2 3.26Å; K147-T545 WeakPolarHBondContact O-CB 3.48Å; K147-T545 VanDerWaalsContact O-CG2 3.27Å; K147-T545 WeakPolarHBondContact O-CG2 3.37Å
148P40Very low29.5Very low81 Ų81129.1 Ų129.153%0.52667%0.671SS.*  cis-92.3144.9-12.3-2.525.5000113.1L542 T545P148-L542 HydrophobicContact CB-CD1 3.55Å; P148-L542 HydrophobicContact CG-CD1 3.6Å; P148-T545 HydrophobicContact CG-CG2 4.34Å
149D31.1Very low30.3Very low103 Ų103124.4 Ų124.455%0.55166%0.66SS**  66.5105.386.8-59.1-28.5000114.3K147K147-D149 WeakPolarHBondContact CD-OD1 3.22Å; K147-D149 WeakPolarHBondContact CD-OD2 3.38Å; K147-D149 WeakPolarHBondContact CE-OD1 3.45Å; K147-D149 WeakPolarHBondContact CE-OD2 3.41Å; K147-D149 IonicContact NZ-OD1 2.74Å; K147-D149 PolarHBondContact NZ-OD1 2.99Å; K147-D149 IonicContact NZ-OD2 2.87Å; K147-D149 PolarHBondContact NZ-OD2 2.9Å
150E29.1Very low31.3Very low192 Ų192123.5 Ų123.590%0.89766%0.663SS**  -172.9131.9101.8-163.4167.2169.400110.1
151H26.5Very low31.9Very low162 Ų162119.9 Ų119.975%0.7566%0.655SS**  trans-139.4144.6178.7-107.2-80000110.6
152T29.6Very low32.5Very low91 Ų91115.3 Ų115.356%0.55864%0.635SS**  trans-2.5136.4143.8-41.50000117.8
153S28.9Very low33.3Very low120 Ų120116.7 Ų116.784%0.83964%0.636SS**  -173148.8129.7-84.40000114.3
154Q29.5Very low34Very low129 Ų129109.6 Ų109.660%0.60362%0.615SS**PPolyproline II helixtrans-87.4163.6174.7-71163.9-53.900111.8R580Q154-R580 VanDerWaalsContact OE1-CZ 3.24Å
155S25.3Very low34.6Very low109 Ų109108.3 Ų108.376%0.76261%0.608SS**PPolyproline II helixtrans-68.8143.6-178.652.70000114.1
156P38.4Very low35.4Very low114 Ų114111.8 Ų111.874%0.7463%0.626SS**PPolyproline II helixtrans-75.9166.4158.535-33.9000111.1
157E36Very low36.5Very low195 Ų195113.4 Ų113.491%0.91164%0.643SS**PPolyproline II helixtrans-55139.3172.1-64.7171.2122.700111.6
158Q32.6Very low36.9Very low149 Ų149116.1 Ų116.170%0.69666%0.657SS**PPolyproline II helixtrans-99.2140.9165.8-69.9-157-16.600110.2
159P42.5Very low37.2Very low95 Ų95115.3 Ų115.362%0.61765%0.652SS**PPolyproline II helixtrans-67.6149.9-178.328.8-35.1000111.3A161 L162P159-A161 PolarHBondContact O-N 3.03Å; P159-L162 PolarHBondContact O-N 2.99Å; P159-L162 VanDerWaalsContact O-N 3.16Å
160A46.6Very low38Very low90 Ų90112.4 Ų112.474%0.74465%0.647SS**THydrogen-bonded Turntrans-56.1-12.2-174.900000115.6L162A160-L162 VanDerWaalsContact C-N 3.29Å; A160-L162 PolarHBondContact O-N 2.86Å
161A40.3Very low38.9Very low76 Ų76107.8 Ų107.863%0.62864%0.636SS**Hα-helixtrans-62.6-27.1173.900000114.3P159P159-A161 PolarHBondContact O-N 3.03Å
162L39.9Very low40Very low79 Ų79105.1 Ų105.141%0.41463%0.631SS.*Hα-helixtrans-84.6-16.9-176-93164.5000115.3P159 A160 L165P159-L162 PolarHBondContact O-N 2.99Å; P159-L162 VanDerWaalsContact O-N 3.16Å; A160-L162 VanDerWaalsContact C-N 3.29Å; A160-L162 PolarHBondContact O-N 2.86Å; L162-L165 HydrophobicContact CD2-CD1 3.99Å
163M46.6Very low40.9Very low144 Ų144107 Ų10771%0.70963%0.628SS**Hα-helixtrans-81.8-21.6174.4-73.1-154.4-75.300113.7S167M163-S167 PolarHBondContact O-N 3.12Å; M163-S167 PolarHBondContact O-OG 2.88Å
164G39.9Very low41.7Very low36 Ų36110.5 Ų110.537%0.37163%0.628SS.*Hα-helixtrans-61.5-52.6167.100000111.4Q166 S167 E168G164-Q166 VanDerWaalsContact C-N 3.34Å; G164-Q166 PolarHBondContact O-N 3.05Å; G164-S167 WeakPolarHBondContact O-CB 3.45Å; G164-S167 PolarHBondContact O-N 3.27Å; G164-E168 PolarHBondContact O-N 3.43Å; G164-E168 VanDerWaalsContact O-N 3.1Å
165L38.8Very low43.1Very low94 Ų94110.8 Ų110.849%0.49263%0.63SS.*Hα-helixtrans-57.2-38.1179.9-78.5158.8000114.1L162 C169L162-L165 HydrophobicContact CD2-CD1 3.99Å; L165-C169 WeakPolarHBondContact O-CB 3.43Å; L165-C169 PolarHBondContact O-N 3.44Å; L165-C169 VanDerWaalsContact O-N 3.1Å; L165-C169 PolarHBondContact O-SG 3.11Å
166Q42Very low45.5Very low156 Ų156110.2 Ų110.273%0.72961%0.611SS**Hα-helixtrans-71.4-30.2176.2-77.2-167.4-6.500113.3G164 G170G164-Q166 VanDerWaalsContact C-N 3.34Å; G164-Q166 PolarHBondContact O-N 3.05Å; Q166-G170 PolarHBondContact O-N 2.99Å
167S47.4Very low47.3Very low92 Ų92110.3 Ų110.364%0.64361%0.605SS**Hα-helixtrans-73.1-39.3179-57.90000111.4M163 G164 G170M163-S167 PolarHBondContact O-N 3.12Å; M163-S167 PolarHBondContact O-OG 2.88Å; G164-S167 WeakPolarHBondContact O-CB 3.45Å; G164-S167 PolarHBondContact O-N 3.27Å; S167-G170 PolarHBondContact O-N 3.35Å
168E43.7Very low49.3Very low131 Ų131105.5 Ų105.561%0.61258%0.584SS**Hα-helixtrans-68.3-38.4173.5-70165.517100112G164 G170 S171G164-E168 PolarHBondContact O-N 3.43Å; G164-E168 VanDerWaalsContact O-N 3.1Å; E168-G170 PolarHBondContact O-N 2.84Å; E168-G170 VanDerWaalsContact O-N 3.09Å; E168-S171 PolarHBondContact O-N 2.97Å; E168-S171 VanDerWaalsContact O-N 3.11Å
169C46.2Very low51.3Low64 Ų64105 Ų10543%0.43258%0.577SS.*THydrogen-bonded Turntrans-65.7-8.4174.1-69.60000114.5L165 S171 R176L165-C169 WeakPolarHBondContact O-CB 3.43Å; L165-C169 PolarHBondContact O-N 3.44Å; L165-C169 VanDerWaalsContact O-N 3.1Å; L165-C169 PolarHBondContact O-SG 3.11Å; C169-S171 VanDerWaalsContact C-N 3.33Å; C169-R176 PolarHBondContact O-NH2 3.13Å
170G47.4Very low53.3Low42 Ų42105.4 Ų105.443%0.43357%0.571SS.*THydrogen-bonded Turntrans-69.2-31.1170.500000113.1Q166 S167 E168Q166-G170 PolarHBondContact O-N 2.99Å; S167-G170 PolarHBondContact O-N 3.35Å; E168-G170 PolarHBondContact O-N 2.84Å; E168-G170 VanDerWaalsContact O-N 3.09Å
171S48.5Very low54.7Low95 Ų95107.4 Ų107.466%0.66457%0.565SS**THydrogen-bonded Turntrans-93.4-21.2-175.2-520000113.6E168 C169 W173E168-S171 PolarHBondContact O-N 2.97Å; E168-S171 VanDerWaalsContact O-N 3.11Å; C169-S171 VanDerWaalsContact C-N 3.33Å; S171-W173 VanDerWaalsContact C-N 3.34Å; S171-W173 PolarHBondContact O-N 3.11Å
172V50.3Low56.6Low107 Ų107106.4 Ų106.465%0.64856%0.557SS**SBendtrans-74-23.7-175.51770000112.8
173W48.8Very low58.6Low130 Ų130106.9 Ų106.949%0.49256%0.557SS.*  trans-104.479178.5-7755.1000110.3S171 E175 R176 Y179S171-W173 VanDerWaalsContact C-N 3.34Å; S171-W173 PolarHBondContact O-N 3.11Å; W173-E175 PolarHBondContact O-N 3.09Å; W173-R176 HydrophobicContact CB-CB 4.22Å; W173-R176 PolarHBondContact O-N 3.01Å; W173-Y179 AromaticContact CZ3-CD1 3.99Å; W173-Y179 HydrophobicContact CZ3-CD1 3.99Å; W173-Y179 HydrophobicContact CZ3-CD2 4.14Å; W173-Y179 HydrophobicContact CZ3-CE1 4.17Å; W173-Y179 HydrophobicContact CZ3-CE2 4.3Å; W173-Y179 AromaticContact CZ3-CG 3.99Å; W173-Y179 HydrophobicContact CZ3-CG 3.99Å
174F45.3Very low60.5Low193 Ų193103.4 Ų103.485%0.84655%0.547SS*.THydrogen-bonded Turntrans-46.8128.9158.2-83.4-89.2000108.3R176F174-R176 PolarHBondContact O-N 3.18Å
175E57.8Low62.6Low136 Ų136107.6 Ų107.664%0.63656%0.56SS**THydrogen-bonded Turntrans67.327.3178.1-47.4-171.915900117W173 N177 I178 Y179W173-E175 PolarHBondContact O-N 3.09Å; E175-N177 PolarHBondContact O-N 2.81Å; E175-N177 VanDerWaalsContact O-N 3.08Å; E175-I178 HydrophobicContact CB-CB 4.02Å; E175-I178 HydrophobicContact CB-CD1 3.96Å; E175-I178 HydrophobicContact CB-CG1 3.97Å; E175-I178 HydrophobicContact CG-CD1 4.02Å; E175-I178 WeakPolarHBondContact O-CA 3.42Å; E175-I178 WeakPolarHBondContact O-CB 3.41Å; E175-I178 PolarHBondContact O-N 3.31Å; E175-Y179 PolarHBondContact O-N 2.91Å
176R76.6Confident64.5Low96 Ų96109.7 Ų109.736%0.36256%0.562SS.*Hα-helixtrans-45.2-42.8169.5179.6177.6-66.3165.75.8113.1C169 W173 F174 I178 Y179 E180C169-R176 PolarHBondContact O-NH2 3.13Å; W173-R176 HydrophobicContact CB-CB 4.22Å; W173-R176 PolarHBondContact O-N 3.01Å; F174-R176 PolarHBondContact O-N 3.18Å; R176-I178 VanDerWaalsContact C-N 3.27Å; R176-I178 PolarHBondContact O-N 3.21Å; R176-Y179 PolarHBondContact O-N 3.46Å; R176-E180 WeakPolarHBondContact CD-OE1 3.38Å; R176-E180 HydrophobicContact CG-CG 4.21Å; R176-E180 VanDerWaalsContact CG-OE1 3.31Å; R176-E180 WeakPolarHBondContact CG-OE1 3.39Å; R176-E180 WeakPolarHBondContact O-CG 3.47Å; R176-E180 PolarHBondContact O-N 3.47Å
177N76Confident66.2Low117 Ų117107.3 Ų107.363%0.62655%0.551SS**Hα-helixtrans-63.5-28.9178.2-68.34.4000113.6E175 Q181E175-N177 PolarHBondContact O-N 2.81Å; E175-N177 VanDerWaalsContact O-N 3.08Å; N177-Q181 WeakPolarHBondContact O-CB 3.41Å; N177-Q181 VanDerWaalsContact O-CG 3.27Å; N177-Q181 WeakPolarHBondContact O-CG 3.29Å; N177-Q181 PolarHBondContact O-N 2.9Å; N177-Q181 VanDerWaalsContact O-N 3.13Å
178I77.2Confident67.4Low93 Ų93106.6 Ų106.648%0.47755%0.545SS..Hα-helixtrans-78.9-39.9175.9-54-170.7000109.4E175 R176 Q181 A182E175-I178 HydrophobicContact CB-CB 4.02Å; E175-I178 HydrophobicContact CB-CD1 3.96Å; E175-I178 HydrophobicContact CB-CG1 3.97Å; E175-I178 HydrophobicContact CG-CD1 4.02Å; E175-I178 WeakPolarHBondContact O-CA 3.42Å; E175-I178 WeakPolarHBondContact O-CB 3.41Å; E175-I178 PolarHBondContact O-N 3.31Å; R176-I178 VanDerWaalsContact C-N 3.27Å; R176-I178 PolarHBondContact O-N 3.21Å; I178-Q181 PolarHBondContact O-N 2.94Å; I178-A182 WeakPolarHBondContact O-CB 3.19Å; I178-A182 PolarHBondContact O-N 2.85Å
179Y75.2Confident69.3Low138 Ų138107.9 Ų107.954%0.54154%0.544SS..Hα-helixtrans-61.4-45.7173-173.1-89.8000112.1W173 E175 R176 Q181 A182 E183W173-Y179 AromaticContact CZ3-CD1 3.99Å; W173-Y179 HydrophobicContact CZ3-CD1 3.99Å; W173-Y179 HydrophobicContact CZ3-CD2 4.14Å; W173-Y179 HydrophobicContact CZ3-CE1 4.17Å; W173-Y179 HydrophobicContact CZ3-CE2 4.3Å; W173-Y179 AromaticContact CZ3-CG 3.99Å; W173-Y179 HydrophobicContact CZ3-CG 3.99Å; E175-Y179 PolarHBondContact O-N 2.91Å; R176-Y179 PolarHBondContact O-N 3.46Å; Y179-Q181 PolarHBondContact O-N 3Å; Y179-A182 PolarHBondContact O-N 3.44Å; Y179-E183 WeakPolarHBondContact O-CB 3.47Å; Y179-E183 PolarHBondContact O-N 3.39Å
180E84.1Confident70.7Confident105 Ų105108.4 Ų108.449%0.49154%0.543SS..Hα-helixtrans-64.6-36.1175.3-73177-169.400112.3R176 S184R176-E180 WeakPolarHBondContact CD-OE1 3.38Å; R176-E180 HydrophobicContact CG-CG 4.21Å; R176-E180 VanDerWaalsContact CG-OE1 3.31Å; R176-E180 WeakPolarHBondContact CG-OE1 3.39Å; R176-E180 WeakPolarHBondContact O-CG 3.47Å; R176-E180 PolarHBondContact O-N 3.47Å; E180-S184 VanDerWaalsContact O-CB 3.26Å; E180-S184 WeakPolarHBondContact O-CB 3.49Å; E180-S184 PolarHBondContact O-N 3.47Å
181Q76.6Confident72Confident132 Ų132111.5 Ų111.562%0.61755%0.553SS**Hα-helixtrans-66.3-42.8171.3-80-179.925.700112.1N177 I178 Y179 S184 L185N177-Q181 WeakPolarHBondContact O-CB 3.41Å; N177-Q181 VanDerWaalsContact O-CG 3.27Å; N177-Q181 WeakPolarHBondContact O-CG 3.29Å; N177-Q181 PolarHBondContact O-N 2.9Å; N177-Q181 VanDerWaalsContact O-N 3.13Å; I178-Q181 PolarHBondContact O-N 2.94Å; Y179-Q181 PolarHBondContact O-N 3Å; Q181-S184 PolarHBondContact O-N 2.77Å; Q181-L185 WeakPolarHBondContact O-CB 3.28Å; Q181-L185 VanDerWaalsContact O-CG 3.28Å; Q181-L185 WeakPolarHBondContact O-CG 3.45Å; Q181-L185 PolarHBondContact O-N 3.37Å
182A80.9Confident72.8Confident55 Ų55111 Ų11146%0.45555%0.549SS..Hα-helixtrans-64.1-41.4176.600000111.5I178 Y179 L185 Y186I178-A182 WeakPolarHBondContact O-CB 3.19Å; I178-A182 PolarHBondContact O-N 2.85Å; Y179-A182 PolarHBondContact O-N 3.44Å; A182-L185 PolarHBondContact O-N 2.84Å; A182-Y186 VanDerWaalsContact O-CB 3.3Å; A182-Y186 WeakPolarHBondContact O-CB 3.38Å; A182-Y186 PolarHBondContact O-N 2.88Å
183E81.6Confident73.2Confident88 Ų88107 Ų10741%0.41153%0.527SS..Hα-helixtrans-64.2-44.6174.9-158-153.2150.200111.3Y179 L185 Y186 Q187Y179-E183 WeakPolarHBondContact O-CB 3.47Å; Y179-E183 PolarHBondContact O-N 3.39Å; E183-L185 PolarHBondContact O-N 3.43Å; E183-Y186 CarbonylContact O-C 3.54Å; E183-Y186 PolarHBondContact O-N 2.85Å; E183-Q187 WeakPolarHBondContact O-CG 3.35Å; E183-Q187 PolarHBondContact O-N 3.23Å; E183-Q187 PolarHBondContact OE1-NE2 3.29Å
184S85.6Confident73.5Confident72 Ų72103.8 Ų103.850%0.50353%0.528SS..Hα-helixtrans-60.6-44.1176.2-174.80000112.1E180 Q181 Q187 C188E180-S184 VanDerWaalsContact O-CB 3.26Å; E180-S184 WeakPolarHBondContact O-CB 3.49Å; E180-S184 PolarHBondContact O-N 3.47Å; Q181-S184 PolarHBondContact O-N 2.77Å; S184-Q187 PolarHBondContact O-N 2.88Å; S184-C188 WeakPolarHBondContact O-CB 3.28Å; S184-C188 PolarHBondContact O-N 3.33Å
185L85.2Confident73.8Confident124 Ų124101.3 Ų101.365%0.64952%0.523SS*.Hα-helixtrans-63.4-40.5174-72.5171.7000112Q181 A182 E183 C188 W189Q181-L185 WeakPolarHBondContact O-CB 3.28Å; Q181-L185 VanDerWaalsContact O-CG 3.28Å; Q181-L185 WeakPolarHBondContact O-CG 3.45Å; Q181-L185 PolarHBondContact O-N 3.37Å; A182-L185 PolarHBondContact O-N 2.84Å; E183-L185 PolarHBondContact O-N 3.43Å; L185-C188 PolarHBondContact O-N 2.91Å; L185-W189 WeakPolarHBondContact O-CB 3.09Å; L185-W189 PolarHBondContact O-N 2.8Å
186Y78.1Confident72.8Confident137 Ų137104.2 Ų104.254%0.53753%0.528SS..Hα-helixtrans-66.2-41.4176.1179.3-112.3000112.2A182 E183 W189 L190A182-Y186 VanDerWaalsContact O-CB 3.3Å; A182-Y186 WeakPolarHBondContact O-CB 3.38Å; A182-Y186 PolarHBondContact O-N 2.88Å; E183-Y186 CarbonylContact O-C 3.54Å; E183-Y186 PolarHBondContact O-N 2.85Å; Y186-W189 HydrophobicContact CD2-CE3 4.19Å; Y186-W189 HydrophobicContact CE2-CE3 4.02Å; Y186-W189 HydrophobicContact CE2-CZ3 4.11Å; Y186-W189 CarbonylContact O-C 3.44Å; Y186-W189 PolarHBondContact O-N 3.49Å; Y186-L190 HydrophobicContact CD1-CD1 3.97Å; Y186-L190 HydrophobicContact CE1-CD1 3.5Å; Y186-L190 VanDerWaalsContact CE1-CD1 3.5Å; Y186-L190 HydrophobicContact CE1-CG 4.19Å; Y186-L190 HydrophobicContact CE2-CD1 4.5Å; Y186-L190 HydrophobicContact CE2-CG 4.33Å; Y186-L190 WeakPolarHBondContact O-CG 3.08Å; Y186-L190 PolarHBondContact O-N 3.27Å
187Q76.8Confident71.1Confident107 Ų107105.5 Ų105.550%0.554%0.541SS..Hα-helixtrans-65.2-41.9173-69.6-162.530.800111.5E183 S184 W189 L190 V191E183-Q187 WeakPolarHBondContact O-CG 3.35Å; E183-Q187 PolarHBondContact O-N 3.23Å; E183-Q187 PolarHBondContact OE1-NE2 3.29Å; S184-Q187 PolarHBondContact O-N 2.88Å; Q187-W189 VanDerWaalsContact C-N 3.3Å; Q187-W189 PolarHBondContact O-N 2.77Å; Q187-L190 PolarHBondContact O-N 2.62Å; Q187-V191 WeakPolarHBondContact O-CG2 3.24Å; Q187-V191 PolarHBondContact O-N 2.7Å
188C73.8Confident69.3Low76 Ų76104.8 Ų104.851%0.51455%0.545SS..Hα-helixtrans-61-37.6171.5-85.90000112.6S184 L185 S192S184-C188 WeakPolarHBondContact O-CB 3.28Å; S184-C188 PolarHBondContact O-N 3.33Å; L185-C188 PolarHBondContact O-N 2.91Å; C188-S192 VanDerWaalsContact O-CB 3.3Å; C188-S192 WeakPolarHBondContact O-CB 3.16Å; C188-S192 PolarHBondContact O-N 3.37Å; C188-S192 PolarHBondContact O-OG 2.83Å
189W84Confident67.1Low158 Ų158109.6 Ų109.660%0.59856%0.563SS**Hα-helixtrans-68.6-39.4174.1-179.587.6000111.9L185 Y186 Q187 S192 S193L185-W189 WeakPolarHBondContact O-CB 3.09Å; L185-W189 PolarHBondContact O-N 2.8Å; Y186-W189 HydrophobicContact CD2-CE3 4.19Å; Y186-W189 HydrophobicContact CE2-CE3 4.02Å; Y186-W189 HydrophobicContact CE2-CZ3 4.11Å; Y186-W189 CarbonylContact O-C 3.44Å; Y186-W189 PolarHBondContact O-N 3.49Å; Q187-W189 VanDerWaalsContact C-N 3.3Å; Q187-W189 PolarHBondContact O-N 2.77Å; W189-S192 PolarHBondContact O-N 3.36Å; W189-S193 WeakPolarHBondContact O-CB 3.3Å; W189-S193 PolarHBondContact O-N 2.73Å; W189-S193 PolarHBondContact O-OG 3.43Å
190L74.1Confident65.4Low75 Ų75109.4 Ų109.439%0.39358%0.578SS.*Hα-helixtrans-62.7-43.3173.2-77.5174.1000112.2Y186 Q187 S193 A194Y186-L190 HydrophobicContact CD1-CD1 3.97Å; Y186-L190 HydrophobicContact CE1-CD1 3.5Å; Y186-L190 VanDerWaalsContact CE1-CD1 3.5Å; Y186-L190 HydrophobicContact CE1-CG 4.19Å; Y186-L190 HydrophobicContact CE2-CD1 4.5Å; Y186-L190 HydrophobicContact CE2-CG 4.33Å; Y186-L190 WeakPolarHBondContact O-CG 3.08Å; Y186-L190 PolarHBondContact O-N 3.27Å; Q187-L190 PolarHBondContact O-N 2.62Å; L190-S193 VanDerWaalsContact CA-OG 3.32Å; L190-S193 WeakPolarHBondContact CA-OG 2.98Å; L190-S193 CarbonylContact O-C 3.58Å; L190-S193 PolarHBondContact O-N 3.4Å; L190-S193 PolarHBondContact O-OG 3.5Å; L190-A194 PolarHBondContact O-N 3.31Å
191V75.6Confident62.8Low108 Ų108112.4 Ų112.466%0.65560%0.598SS**Hα-helixtrans-66-41175.51730000111.2Q187 S193 A194Q187-V191 WeakPolarHBondContact O-CG2 3.24Å; Q187-V191 PolarHBondContact O-N 2.7Å; V191-S193 VanDerWaalsContact C-N 3.33Å; V191-S193 PolarHBondContact O-N 2.88Å; V191-A194 PolarHBondContact O-N 3.07Å
192S64.4Low60.6Low83 Ų83117 Ų11758%0.5861%0.609SS**Hα-helixtrans-66.4-36.4175.3-58.60000112C188 W189 N195C188-S192 VanDerWaalsContact O-CB 3.3Å; C188-S192 WeakPolarHBondContact O-CB 3.16Å; C188-S192 PolarHBondContact O-N 3.37Å; C188-S192 PolarHBondContact O-OG 2.83Å; W189-S192 PolarHBondContact O-N 3.36Å; S192-N195 WeakPolarHBondContact O-CB 3.34Å; S192-N195 PolarHBondContact O-N 3.43Å; S192-N195 VanDerWaalsContact O-N 3.15Å
193S59.9Low58.2Low25 Ų25118 Ų11818%0.17561%0.613CS.*Hα-helixtrans-85.7-1.4177.865.50000114.2W189 L190 V191 W196 I197W189-S193 WeakPolarHBondContact O-CB 3.3Å; W189-S193 PolarHBondContact O-N 2.73Å; W189-S193 PolarHBondContact O-OG 3.43Å; L190-S193 VanDerWaalsContact CA-OG 3.32Å; L190-S193 WeakPolarHBondContact CA-OG 2.98Å; L190-S193 CarbonylContact O-C 3.58Å; L190-S193 PolarHBondContact O-N 3.4Å; L190-S193 PolarHBondContact O-OG 3.5Å; V191-S193 VanDerWaalsContact C-N 3.33Å; V191-S193 PolarHBondContact O-N 2.88Å; S193-W196 VanDerWaalsContact C-CD1 3.42Å; S193-W196 VanDerWaalsContact CA-CD1 3.43Å; S193-W196 PolarHBondContact O-NE1 2.85Å; S193-I197 WeakPolarHBondContact O-CD1 3.48Å
194A55.5Low55.7Low62 Ų62122 Ų12251%0.51263%0.631SS.*Hα-helixtrans-76.2-29157.300000111.2L190 V191L190-A194 PolarHBondContact O-N 3.31Å; V191-A194 PolarHBondContact O-N 3.07Å
195N50.3Low53Low140 Ų140126.7 Ų126.775%0.74965%0.646SS**THydrogen-bonded Turntrans-85.2-15.2-167.3-136.515.7000114.8S192S192-N195 WeakPolarHBondContact O-CB 3.34Å; S192-N195 PolarHBondContact O-N 3.43Å; S192-N195 VanDerWaalsContact O-N 3.15Å
196W37.6Very low50.2Low197 Ų197125.8 Ų125.875%0.74665%0.649SS**THydrogen-bonded Turntrans-83.9-15.8171.974-60.3000114S193 S198S193-W196 VanDerWaalsContact C-CD1 3.42Å; S193-W196 VanDerWaalsContact CA-CD1 3.43Å; S193-W196 PolarHBondContact O-NE1 2.85Å; W196-S198 PolarHBondContact O-N 2.64Å
197I41Very low47.9Very low123 Ų123124.9 Ų124.963%0.63166%0.663SS**SBendtrans-75.2-13.8-174.1-61.9176.7000112.1S193S193-I197 WeakPolarHBondContact O-CD1 3.48Å
198S37.8Very low45.6Very low103 Ų103123.6 Ų123.672%0.7268%0.679SS**  trans-10560.9-175-67.70000115W196W196-S198 PolarHBondContact O-N 2.64Å
199K32.1Very low43.6Very low194 Ų194129.5 Ų129.584%0.84370%0.696SS**  trans-136.8130.2153.3-71.6-169179.9172.80111.4
200P39.5Very low40.9Very low133 Ų133133.7 Ų133.786%0.86471%0.712SS**  trans-81.4147.8-171.933.6-35.5000111.5
201N28.6Very low39.1Very low168 Ų168135.8 Ų135.890%0.89873%0.733SS**  trans-117.3146.4169.6-148.2-10.2000112
202R29.8Very low36.6Very low228 Ų228135.7 Ų135.786%0.8674%0.736SS**  trans-87.9154.9-167.2-154.6177.1-170.6-168.23.6111.2
203S30.4Very low35.2Very low76 Ų76139.3 Ų139.353%0.53175%0.749SS.*  trans-47.8148.5-178.546.30000116.1
204H30.2Very low34.6Very low172 Ų172143.9 Ų143.980%0.79678%0.779SS**  -174.3177.697.8-94.3-67.2000113.6
205Q28.4Very low33.3Very low172 Ų172145.9 Ų145.980%0.80479%0.789SS**  trans-104.9169.5-155.7-61.8167.5-34.700115.2
206S27.5Very low32.2Very low104 Ų104145.1 Ų145.173%0.72779%0.789SS**  trans97.9120.1134.879.10000122
207S29.1Very low31.9Very low118 Ų118141.6 Ų141.683%0.82579%0.789SS**  trans58.4129.6134.8650000121.7
208G27.5Very low31.3Very low81 Ų81139.9 Ų139.984%0.83579%0.793SS**  trans155.8125.9150.400000114.9
209K33.1Very low31.5Very low200 Ų200140.2 Ų140.287%0.8779%0.793SS**  trans-91.9137.5172.6-62.8171176.6174.50110.5
210R27.3Very low31.5Very low246 Ų246136.6 Ų136.693%0.92879%0.792SS**  154.1154.1121.5-85.1-175.9177.6-135.2-0.6113.6
211S34.6Very low31.2Very low119 Ų119135.5 Ų135.583%0.83279%0.787SS**  trans-54.7134.1178.3175.50000115.6
212S25Very low31.5Very low105 Ų105133.5 Ų133.573%0.73479%0.787SS**  178.1141118.452.20000112.7
213N34Very low31.7Very low159 Ų159125.8 Ų125.885%0.8578%0.779SS**  trans-95.9158.1158.1-74.8-4.2000107.1
214P46.9Very low32.2Very low122 Ų122128.9 Ų128.979%0.79280%0.797SS**  cis-153.9178.13944.2-23.3000119.7
215S28.9Very low32.6Very low104 Ų104124.6 Ų124.673%0.72779%0.791SS**  trans86.9150.9138.3-144.80000123
216T27.2Very low33.3Very low124 Ų124119.7 Ų119.776%0.76178%0.775SS**  trans71.1132.8168.54.60000115.5
217V30.5Very low34.1Very low123 Ų123122.8 Ų122.875%0.74578%0.778SS**  cis-143124.923.1-174.90000106.9
218A29Very low35.2Very low86 Ų86123.8 Ų123.871%0.71177%0.769SS**  59.2160.977.400000115.1
219P43Very low36.1Very low110 Ų110126.1 Ų126.171%0.71477%0.767SS**  cis-136.9161.2-17.432.4-11.3000117
220S31.8Very low36.9Very low118 Ų118123.9 Ų123.983%0.82576%0.764SS**  trans30.2129136.9-45.60000124.7
221S32.9Very low37.7Very low110 Ų110120.4 Ų120.477%0.76976%0.759SS**  -160.1102.8122.664.10000115.2
222S35.3Very low38.4Very low126 Ų126122.1 Ų122.188%0.88176%0.764SS**  trans41.3109.6146.758.80000122.9
223G32.2Very low39.7Very low67 Ų67120.9 Ų120.969%0.69176%0.76SS**  trans-143.9159.6152.200000108.7
224P41.4Very low40.2Very low141 Ų141116.7 Ų116.792%0.91674%0.742SS**  trans-72143.4-152.128.3-36000115.5
225A39.2Very low40Very low82 Ų82117.6 Ų117.668%0.67874%0.735SS**  trans-91.9114.2178.500000112.2H227A225-H227 PolarHBondContact O-ND1 3.19Å
226C42.5Very low40.6Very low69 Ų69119.2 Ų119.247%0.46673%0.731SS.*  trans-69.2127.4166.456.90000110.5
227H45.3Very low41.5Very low169 Ų169120 Ų12078%0.78273%0.729SS**  trans-96.596178-78.641.5000110.4A225A225-H227 PolarHBondContact O-ND1 3.19Å
228H51.7Low42Very low138 Ų138119.1 Ų119.164%0.63972%0.724SS**  trans-126.7119164.7-61.4-66.2000108.8
229V46.8Very low42.5Very low130 Ų130123.1 Ų123.179%0.78873%0.728SS**  trans-89.6124.9173.7178.10000107.5
230D48.9Very low42.7Very low154 Ų154127.4 Ų127.482%0.82474%0.738SS**SBendtrans61.142.7167.1-58.6-15.8000119.1
231Q43.7Very low43.3Very low172 Ų172126.8 Ų126.880%0.80473%0.729SS**  trans-135.1130.3152.5-68.9-16644.300112.3A233Q231-A233 PolarHBondContact O-N 2.91Å
232V51.2Low44Very low156 Ų156127.8 Ų127.895%0.94572%0.717SS**  trans-94.583.7-175.9-177.20000110.4
233A50.6Low45Very low78 Ų78128.3 Ų128.365%0.64571%0.714SS**  trans174.594.6150.700000110.7Q231Q231-A233 PolarHBondContact O-N 2.91Å
234C45.4Very low46.1Very low71 Ų71129.8 Ų129.848%0.4871%0.706SS.*  trans-116.6103.3166.4-600000109.1H236C234-H236 PolarHBondContact O-N 3.26Å
235H41.9Very low47.3Very low141 Ų141128.6 Ų128.665%0.65369%0.686SS**  trans-78.6104.9174.1-76.4-89.1000110.2
236H42.8Very low48.7Very low138 Ų138129.6 Ų129.664%0.63968%0.684SS**  trans-100.4106.5158.4-71.3100.1000108.2C234 V238C234-H236 PolarHBondContact O-N 3.26Å; H236-V238 PolarHBondContact O-N 3.42Å
237I45.8Very low49.8Very low141 Ų141129.8 Ų129.872%0.72368%0.683SS**  trans-81.6110.3167.3-60.4173.6000106.5
238V41.6Very low51Low105 Ų105126.5 Ų126.564%0.63667%0.667SS**  trans-121.6112165.9-178.30000106.2H236H236-V238 PolarHBondContact O-N 3.42Å
239E39.5Very low52.1Low170 Ų170121.8 Ų121.879%0.79465%0.647SS**THydrogen-bonded Turntrans49.169.2168.9-61.3179.7176.900115.3V241E239-V241 PolarHBondContact O-N 3.1Å
240E46Very low53.2Low199 Ų199120.6 Ų120.693%0.9363%0.633SS**THydrogen-bonded Turntrans53.65.1161.1-61.4-170.2160.500118.9
241V45.5Very low54.2Low105 Ų105116.1 Ų116.164%0.63662%0.617SS**  trans-111106.1176.4-178.10000109.5E239 V243E239-V241 PolarHBondContact O-N 3.1Å; V241-V243 VanDerWaalsContact C-N 3.31Å; V241-V243 PolarHBondContact O-N 2.83Å
242W47.7Very low55.8Low132 Ų132113 Ų11350%0.560%0.602SS.*  trans-61.994.4164.5-95.845.4000109.6N244 K245 F248W242-N244 PolarHBondContact O-N 2.79Å; W242-K245 HydrophobicContact CB-CB 4.15Å; W242-K245 PolarHBondContact O-N 3.25Å; W242-F248 HydrophobicContact CE3-CB 4.3Å; W242-F248 HydrophobicContact CE3-CG 4.43Å; W242-F248 HydrophobicContact CH2-CD2 4.16Å; W242-F248 HydrophobicContact CH2-CE2 4.24Å; W242-F248 HydrophobicContact CH2-CG 4.37Å; W242-F248 HydrophobicContact CZ3-CB 3.82Å; W242-F248 AromaticContact CZ3-CD1 3.96Å; W242-F248 HydrophobicContact CZ3-CD1 3.96Å; W242-F248 AromaticContact CZ3-CD2 3.69Å; W242-F248 HydrophobicContact CZ3-CD2 3.69Å; W242-F248 HydrophobicContact CZ3-CE1 4.45Å; W242-F248 HydrophobicContact CZ3-CE2 4.2Å; W242-F248 AromaticContact CZ3-CG 3.55Å; W242-F248 HydrophobicContact CZ3-CG 3.55Å
243V54.8Low56.8Low137 Ų137112.2 Ų112.283%0.8358%0.582SS**THydrogen-bonded Turntrans-52.4-21.7-177.5-179.30000112.8V241V241-V243 VanDerWaalsContact C-N 3.31Å; V241-V243 PolarHBondContact O-N 2.83Å
244N55.6Low57.6Low98 Ų98116.5 Ų116.552%0.52458%0.582SS.*THydrogen-bonded Turntrans-12426.5-178.5-119-9.2000115W242 T246 T247 F248W242-N244 PolarHBondContact O-N 2.79Å; N244-T246 PolarHBondContact O-N 3.23Å; N244-T246 VanDerWaalsContact O-N 3.13Å; N244-T247 WeakPolarHBondContact CB-OG1 3.21Å; N244-T247 PolarHBondContact O-N 3.31Å; N244-T247 PolarHBondContact O-OG1 3.39Å; N244-T247 VanDerWaalsContact OD1-CG2 3.25Å; N244-T247 WeakPolarHBondContact OD1-CG2 3.32Å; N244-T247 PolarHBondContact OD1-OG1 2.78Å; N244-F248 PolarHBondContact O-N 3.27Å
245K66.8Low59Low115 Ų115120.6 Ų120.650%0.559%0.592SS.*Hα-helixtrans-47.8-43.3179-168.7-169.7-175-50.60113.2W242 T247 F248 D249W242-K245 HydrophobicContact CB-CB 4.15Å; W242-K245 PolarHBondContact O-N 3.25Å; K245-T247 VanDerWaalsContact C-N 3.31Å; K245-T247 PolarHBondContact O-N 3.18Å; K245-F248 PolarHBondContact O-N 3.43Å; K245-D249 IonicContact NZ-OD1 2.81Å; K245-D249 PolarHBondContact NZ-OD1 2.82Å; K245-D249 IonicContact NZ-OD2 2.9Å; K245-D249 PolarHBondContact NZ-OD2 3.27Å; K245-D249 WeakPolarHBondContact O-CB 3.4Å; K245-D249 PolarHBondContact O-N 2.84Å
246T69.4Low60.5Low103 Ų103118 Ų11863%0.63259%0.586SS**Hα-helixtrans-62.4-34179.650.60000113.6N244 Q250N244-T246 PolarHBondContact O-N 3.23Å; N244-T246 VanDerWaalsContact O-N 3.13Å; T246-Q250 VanDerWaalsContact O-CB 3.25Å; T246-Q250 WeakPolarHBondContact O-CB 3.3Å; T246-Q250 PolarHBondContact O-N 2.8Å; T246-Q250 VanDerWaalsContact O-N 3.09Å
247T65.8Low61.9Low73 Ų73118.4 Ų118.445%0.44859%0.588SS.*Hα-helixtrans-75-34.2176.4640000112.2N244 K245 Q250 A251N244-T247 WeakPolarHBondContact CB-OG1 3.21Å; N244-T247 PolarHBondContact O-N 3.31Å; N244-T247 PolarHBondContact O-OG1 3.39Å; N244-T247 VanDerWaalsContact OD1-CG2 3.25Å; N244-T247 WeakPolarHBondContact OD1-CG2 3.32Å; N244-T247 PolarHBondContact OD1-OG1 2.78Å; K245-T247 VanDerWaalsContact C-N 3.31Å; K245-T247 PolarHBondContact O-N 3.18Å; T247-Q250 WeakPolarHBondContact O-CB 3.44Å; T247-Q250 PolarHBondContact O-N 2.74Å; T247-A251 WeakPolarHBondContact O-CB 3.44Å; T247-A251 PolarHBondContact O-N 3.47Å
248F70.2Confident62.7Low100 Ų100115 Ų11544%0.43959%0.587SS.*Hα-helixtrans-68.1-51.6172.8-177.2-94.2000111.3W242 N244 K245 Q250 A251 E252W242-F248 HydrophobicContact CE3-CB 4.3Å; W242-F248 HydrophobicContact CE3-CG 4.43Å; W242-F248 HydrophobicContact CH2-CD2 4.16Å; W242-F248 HydrophobicContact CH2-CE2 4.24Å; W242-F248 HydrophobicContact CH2-CG 4.37Å; W242-F248 HydrophobicContact CZ3-CB 3.82Å; W242-F248 AromaticContact CZ3-CD1 3.96Å; W242-F248 HydrophobicContact CZ3-CD1 3.96Å; W242-F248 AromaticContact CZ3-CD2 3.69Å; W242-F248 HydrophobicContact CZ3-CD2 3.69Å; W242-F248 HydrophobicContact CZ3-CE1 4.45Å; W242-F248 HydrophobicContact CZ3-CE2 4.2Å; W242-F248 AromaticContact CZ3-CG 3.55Å; W242-F248 HydrophobicContact CZ3-CG 3.55Å; N244-F248 PolarHBondContact O-N 3.27Å; K245-F248 PolarHBondContact O-N 3.43Å; F248-Q250 PolarHBondContact O-N 3.4Å; F248-A251 WeakPolarHBondContact O-CA 3.42Å; F248-A251 PolarHBondContact O-N 2.9Å; F248-E252 WeakPolarHBondContact O-CB 3.17Å; F248-E252 PolarHBondContact O-N 2.89Å
249D74.2Confident63.6Low40 Ų40113.6 Ų113.621%0.21458%0.582CS.*Hα-helixtrans-56.5-28.4175-61.5-5.8000111.5K245 R253K245-D249 IonicContact NZ-OD1 2.81Å; K245-D249 PolarHBondContact NZ-OD1 2.82Å; K245-D249 IonicContact NZ-OD2 2.9Å; K245-D249 PolarHBondContact NZ-OD2 3.27Å; K245-D249 WeakPolarHBondContact O-CB 3.4Å; K245-D249 PolarHBondContact O-N 2.84Å; D249-R253 WeakPolarHBondContact O-CB 3.35Å; D249-R253 VanDerWaalsContact O-CG 3.31Å; D249-R253 WeakPolarHBondContact O-CG 3.49Å; D249-R253 PolarHBondContact O-N 2.99Å; D249-R253 PolarHBondContact O-NE 3.37Å
250Q69.7Low64.4Low105 Ų105108.6 Ų108.649%0.49157%0.57SS.*Hα-helixtrans-76.3-40.4174.5-170.595.479.700112.1T246 T247 F248 R254T246-Q250 VanDerWaalsContact O-CB 3.25Å; T246-Q250 WeakPolarHBondContact O-CB 3.3Å; T246-Q250 PolarHBondContact O-N 2.8Å; T246-Q250 VanDerWaalsContact O-N 3.09Å; T247-Q250 WeakPolarHBondContact O-CB 3.44Å; T247-Q250 PolarHBondContact O-N 2.74Å; F248-Q250 PolarHBondContact O-N 3.4Å; Q250-R254 WeakPolarHBondContact O-CB 3.34Å; Q250-R254 VanDerWaalsContact O-CG 3.25Å; Q250-R254 WeakPolarHBondContact O-CG 3.32Å; Q250-R254 PolarHBondContact O-N 3.05Å; Q250-R254 VanDerWaalsContact O-N 3.08Å
251A70.9Confident64.9Low60 Ų60104.5 Ų104.550%0.49656%0.561SS.*Hα-helixtrans-68.6-44.4176.200000111.7T247 F248 R254 F255T247-A251 WeakPolarHBondContact O-CB 3.44Å; T247-A251 PolarHBondContact O-N 3.47Å; F248-A251 WeakPolarHBondContact O-CA 3.42Å; F248-A251 PolarHBondContact O-N 2.9Å; A251-R254 WeakPolarHBondContact O-CB 3.19Å; A251-R254 PolarHBondContact O-N 3.04Å; A251-F255 WeakPolarHBondContact O-CB 3.02Å; A251-F255 PolarHBondContact O-N 3.23Å
252E76.6Confident65.2Low105 Ų105105.7 Ų105.749%0.49157%0.571SS.*Hα-helixtrans-59.2-48.8174.5-176.6-177.5-144.800111.2F248 R254 F255 V256F248-E252 WeakPolarHBondContact O-CB 3.17Å; F248-E252 PolarHBondContact O-N 2.89Å; E252-R254 VanDerWaalsContact C-N 3.31Å; E252-R254 PolarHBondContact O-N 3.4Å; E252-F255 WeakPolarHBondContact O-CB 3.34Å; E252-F255 PolarHBondContact O-N 3.11Å; E252-F255 VanDerWaalsContact O-N 3.12Å; E252-V256 WeakPolarHBondContact O-CG2 3.35Å; E252-V256 PolarHBondContact O-N 2.88Å
253R72.4Confident65Low140 Ų140105 Ų10553%0.52859%0.586SS.*Hα-helixtrans-59-40.6174.3-80.8177.7-69179.3-1.6112.6D249 F255 V256 E257D249-R253 WeakPolarHBondContact O-CB 3.35Å; D249-R253 VanDerWaalsContact O-CG 3.31Å; D249-R253 WeakPolarHBondContact O-CG 3.49Å; D249-R253 PolarHBondContact O-N 2.99Å; D249-R253 PolarHBondContact O-NE 3.37Å; R253-F255 VanDerWaalsContact C-N 3.33Å; R253-V256 PolarHBondContact O-N 3.14Å; R253-E257 WeakPolarHBondContact O-CB 3.45Å; R253-E257 PolarHBondContact O-N 3.26Å
254R67.8Low64.4Low169 Ų169102.5 Ų102.564%0.63858%0.58SS**Hα-helixtrans-66.1-34.4175.9-75.9-72.9-17476.42.1112.8Q250 A251 E252 G258Q250-R254 WeakPolarHBondContact O-CB 3.34Å; Q250-R254 VanDerWaalsContact O-CG 3.25Å; Q250-R254 WeakPolarHBondContact O-CG 3.32Å; Q250-R254 PolarHBondContact O-N 3.05Å; Q250-R254 VanDerWaalsContact O-N 3.08Å; A251-R254 WeakPolarHBondContact O-CB 3.19Å; A251-R254 PolarHBondContact O-N 3.04Å; E252-R254 VanDerWaalsContact C-N 3.31Å; E252-R254 PolarHBondContact O-N 3.4Å; R254-G258 PolarHBondContact O-N 2.75Å
255F73.6Confident63.7Low157 Ų157103.8 Ų103.869%0.68959%0.593SS**Hα-helixtrans-68.2-49.7174.4179.6-100.1000111.1A251 E252 R253 E257 G258 S259A251-F255 WeakPolarHBondContact O-CB 3.02Å; A251-F255 PolarHBondContact O-N 3.23Å; E252-F255 WeakPolarHBondContact O-CB 3.34Å; E252-F255 PolarHBondContact O-N 3.11Å; E252-F255 VanDerWaalsContact O-N 3.12Å; R253-F255 VanDerWaalsContact C-N 3.33Å; F255-E257 PolarHBondContact O-N 3.49Å; F255-G258 PolarHBondContact O-N 2.84Å; F255-S259 VanDerWaalsContact O-CB 3.31Å; F255-S259 WeakPolarHBondContact O-CB 3.27Å; F255-S259 PolarHBondContact O-N 3.49Å; F255-S259 PolarHBondContact O-OG 2.79Å
256V73.7Confident62.5Low86 Ų86106 Ų10652%0.52161%0.61SS.*Hα-helixtrans-59.4-49.1176.5173.50000111.2E252 R253 G258 S259 A260E252-V256 WeakPolarHBondContact O-CG2 3.35Å; E252-V256 PolarHBondContact O-N 2.88Å; R253-V256 PolarHBondContact O-N 3.14Å; V256-G258 VanDerWaalsContact C-N 3.31Å; V256-G258 PolarHBondContact O-N 3.5Å; V256-S259 WeakPolarHBondContact CA-OG 3.39Å; V256-S259 PolarHBondContact O-N 2.9Å; V256-S259 VanDerWaalsContact O-N 3.12Å; V256-S259 PolarHBondContact O-OG 3.23Å; V256-A260 PolarHBondContact O-N 3.09Å
257E72.2Confident61Low146 Ų146106 Ų10668%0.68262%0.615SS**Hα-helixtrans-65.8-30.7180-166.9170.6-125.100112.5R253 F255R253-E257 WeakPolarHBondContact O-CB 3.45Å; R253-E257 PolarHBondContact O-N 3.26Å; F255-E257 PolarHBondContact O-N 3.49Å
258G62.2Low59.5Low69 Ų69110.3 Ų110.371%0.71163%0.634SS**Hα-helixtrans-80.6-19.317200000115R254 F255 V256R254-G258 PolarHBondContact O-N 2.75Å; F255-G258 PolarHBondContact O-N 2.84Å; V256-G258 VanDerWaalsContact C-N 3.31Å; V256-G258 PolarHBondContact O-N 3.5Å
259S60.4Low57.7Low76 Ų76112.4 Ų112.453%0.53165%0.65SS.*Hα-helixtrans-90.8-9.3178.872.50000114.1F255 V256F255-S259 VanDerWaalsContact O-CB 3.31Å; F255-S259 WeakPolarHBondContact O-CB 3.27Å; F255-S259 PolarHBondContact O-N 3.49Å; F255-S259 PolarHBondContact O-OG 2.79Å; V256-S259 WeakPolarHBondContact CA-OG 3.39Å; V256-S259 PolarHBondContact O-N 2.9Å; V256-S259 VanDerWaalsContact O-N 3.12Å; V256-S259 PolarHBondContact O-OG 3.23Å
260A56.8Low55.7Low66 Ų66117.8 Ų117.855%0.54568%0.678SS.*SBendtrans-71.9125.9-18000000111.5V256V256-A260 PolarHBondContact O-N 3.09Å
261P57Low53.9Low113 Ų113118 Ų11873%0.73469%0.692SS**PPolyproline II helixtrans-70148.2178.128.9-34.6000111.5S263P261-S263 PolarHBondContact O-N 2.76Å
262P51Low52.4Low130 Ų130120.9 Ų120.984%0.84471%0.705SS**PPolyproline II helixtrans-65.6125179.127-33.9000111
263S43.4Very low50.6Low116 Ų116121.3 Ų121.381%0.81172%0.717SS**PPolyproline II helixtrans-68.7132.7176.648.80000111.5P261P261-S263 PolarHBondContact O-N 2.76Å
264A41.8Very low48.6Very low85 Ų85120.1 Ų120.170%0.70273%0.725SS**PPolyproline II helixtrans-66.1141.5177.200000111.4N266A264-N266 PolarHBondContact O-N 3.14Å
265P42.9Very low46.8Very low125 Ų125118.6 Ų118.681%0.81273%0.73SS**  trans-75.9108.5-178.730.1-33.6000111.1
266N41.2Very low44.6Very low161 Ų161123 Ų12386%0.86174%0.742SS**  trans-85.5139.3162.1-81.5-35.2000109.9A264A264-N266 PolarHBondContact O-N 3.14Å
267S36.8Very low42.4Very low103 Ų103124.7 Ų124.772%0.7276%0.758SS**  trans78.5104.9-175.5-156.30000115.9
268L34.1Very low40.3Very low164 Ų164121.7 Ų121.786%0.85977%0.766SS**  trans-102.1107.1152.5-76.4177.6000107.9
269D33.7Very low38.7Very low145 Ų145122.9 Ų122.978%0.77577%0.769SS**  trans-90.3118.9175-156.5-3.3000108.5
270L32.2Very low37.3Very low152 Ų152124.2 Ų124.280%0.79678%0.779SS**  trans-128108.1-176.8-70.1179.7000110.8
271S31Very low36Very low111 Ų111132.3 Ų132.378%0.77680%0.795SS**  trans-85.7145.7169.1-710000111.5
272P40.3Very low35.1Very low120 Ų120133 Ų13378%0.77980%0.797SS**  trans-96.3172.7-162.538.5-38.5000114.4
273P38.5Very low34.6Very low114 Ų114132.3 Ų132.374%0.7479%0.793SS**  trans-133128.7138.631.8-17.5000115.1
274T29.7Very low33.9Very low115 Ų115133.5 Ų133.571%0.70679%0.79SS**  76.895.8129-520000120.4
275N30.2Very low34Very low137 Ų137138.2 Ų138.273%0.73380%0.798SS**  64.7106.5127.7-74.1-9.8000121.3
276W26.7Very low33.4Very low248 Ų248136.2 Ų136.294%0.93980%0.799SS**  -170.415196.1-100.96.8000115.7
277S28.6Very low33Very low123 Ų123139.3 Ų139.386%0.8680%0.801SS**  trans-55.2147.9-175.1-40.20000117.4
278G28Very low32.7Very low83 Ų83142.6 Ų142.686%0.85681%0.805SS**  trans175131.6162.900000112.1
279A28.5Very low32.7Very low93 Ų93139.5 Ų139.577%0.76980%0.797SS**  trans-113.4151-170.100000114.3
280S30.4Very low32.6Very low105 Ų105141.1 Ų141.173%0.73480%0.8SS**  trans83.4145.5142.782.30000121.4
281R31Very low32.7Very low235 Ų235138 Ų13889%0.88780%0.796SS**  trans78.4119.2154.5-67.7-177.5-170.1-139.41.4120.3
282T36.3Very low33Very low128 Ų128138.8 Ų138.879%0.78580%0.799SS**  trans-59.5165.514249.90000110.7
283P40.4Very low32.7Very low116 Ų116139.3 Ų139.375%0.75380%0.8SS**  cis-144.2-174.424.544.8-24.9000116.4
284D30Very low32.7Very low141 Ų141139.6 Ų139.675%0.75480%0.802SS**  trans33.4147140.5-145.715.5000124.9
285E42.7Very low32.7Very low184 Ų184138.7 Ų138.786%0.8681%0.806SS**  trans39.3120.2165.8-81.2-178.8176.400121.7
286G30.7Very low32.9Very low82 Ų82138.8 Ų138.885%0.84581%0.812SS**  trans-170.8120.2170.100000115.9
287Y32.8Very low33.5Very low227 Ų227132.7 Ų132.789%0.8980%0.804SS**  trans-82.2164.2-177.7-113.8-104.8000114.5
288Q31.6Very low33.5Very low171 Ų171132.8 Ų132.880%0.79980%0.799SS**  trans74127.8158.3-66.7174.123.900121.8
289S33.2Very low33.6Very low100 Ų100134.7 Ų134.770%0.69979%0.794SS**  165.3154121.4-77.30000110.3
290Q32.2Very low33.5Very low178 Ų178138.4 Ų138.483%0.83280%0.795SS**  cis-163.6159.1-16.6-106170.765.400106.8
291A33.8Very low33.6Very low88 Ų88142.2 Ų142.273%0.72780%0.801SS**  trans-81.6162.3172.800000111.8
292P36.9Very low33.4Very low127 Ų127135.9 Ų135.983%0.82580%0.799SS**  -145156.491.737.2-21.3000116.5
293T34.7Very low33.1Very low130 Ų130135 Ų13580%0.79881%0.805SS**  trans-73.2161.5175.4-22.70000113
294P37.8Very low32.4Very low121 Ų121132.8 Ų132.879%0.78680%0.804SS**  -142.6148.511436.8-23.8000117.2
295A30.7Very low32.6Very low96 Ų96132.8 Ų132.879%0.79381%0.809SS**  trans55115.7149.300000122.5
296T34.4Very low32.3Very low139 Ų139129.4 Ų129.485%0.85380%0.803SS**  trans-85.2158.7156.93.80000112.2
297P38.8Very low32Very low119 Ų119129.8 Ų129.877%0.77380%0.798SS**  -139.4122.3124.434.6-21.2000115.6
298V28.5Very low31.9Very low126 Ų126123.8 Ų123.876%0.76479%0.789SS**  39.6112.1126.2177.90000120.6
299V29.3Very low32.3Very low122 Ų122126.5 Ų126.574%0.73979%0.792SS**  trans63.2136.7137.5179.90000117.2
300Q27.9Very low32.5Very low172 Ų172130.8 Ų130.880%0.80480%0.801SS**  cis-156.1175.437.5-152.6151.8-15.700113.6
301Q32.6Very low32.8Very low184 Ų184127.4 Ų127.486%0.8680%0.797SS**  trans-62.8143.3172.7-64.3162.7-42.300114.3
302A25.4Very low33.2Very low102 Ų102130.6 Ų130.684%0.84380%0.8SS**  trans-162150.514400000110.8
303A30.6Very low33.3Very low109 Ų109131.6 Ų131.690%0.90180%0.799SS**  trans-79.4150.6174.900000112
304G26.7Very low34Very low71 Ų71128.9 Ų128.973%0.73280%0.796SS**  trans-174.8110.3173.700000112.7
305T32.8Very low34.4Very low140 Ų140130.7 Ų130.786%0.85980%0.799SS**  trans-55.3151.6166.7-100000110.5
306P36.1Very low34.8Very low113 Ų113131.6 Ų131.673%0.73480%0.796SS**  -157.116889.641.5-22.8000117.8
307A26.2Very low35.3Very low90 Ų90136.3 Ų136.374%0.74480%0.799SS**  trans61.9135.2137.400000123.7
308S29.8Very low35.7Very low102 Ų102136.3 Ų136.371%0.71379%0.791SS**  trans69.4112.7137.9-1620000120.6
309R39.3Very low36.8Very low227 Ų227133.9 Ų133.986%0.85778%0.778SS**  10.3123.3125.6-57.4175.2172.2-164.2-4115.8
310Q37.7Very low37.9Very low191 Ų191132.9 Ų132.989%0.89377%0.772SS**  -169.3137.4104.5-101.7165.82.500112.6
311S38.2Very low39.2Very low107 Ų107131.5 Ų131.575%0.74877%0.765SS**  trans-79.9130.1168.850.30000110.4
312I42.6Very low39.8Very low154 Ų154127.8 Ų127.879%0.7975%0.751SS**SBendtrans-95.6125.6161.3-67.4173.4000107.2
313N40.3Very low41Very low149 Ų149128.7 Ų128.780%0.79774%0.741SS**SBendtrans68.246.4170.6-56-5.8000118.4L315N313-L315 PolarHBondContact O-N 3.35Å
314G47.8Very low42Very low72 Ų72133.5 Ų133.574%0.74274%0.735SS**  63.610.9129.900000121.7
315L46.1Very low43.1Very low159 Ų159137.3 Ų137.383%0.83273%0.734SS**  trans-117.9133.1175.4-123.675.1000111.6N313N313-L315 PolarHBondContact O-N 3.35Å
316P39.3Very low43.8Very low115 Ų115136.2 Ų136.275%0.74773%0.727SS**  trans-70.7136.8171.829.4-33.3000110.8I318P316-I318 PolarHBondContact O-N 3.37Å
317R46.3Very low44.6Very low239 Ų239137.6 Ų137.690%0.90272%0.718SS**  trans-81.5106.8-180-169.9-177.2-170.9-1503110.1
318I46.6Very low45.8Very low119 Ų119140.8 Ų140.861%0.6172%0.722SS**  trans-66.4129.7173.9-56.1172.6000109P316 L323P316-I318 PolarHBondContact O-N 3.37Å; I318-L323 HydrophobicContact CG2-CD1 4.15Å
319P51.1Low47.1Very low75 Ų75141.6 Ų141.649%0.48772%0.718SS.*  trans-62.5143.7173.9-23.935.3000112.6E321P319-E321 VanDerWaalsContact C-N 3.31Å; P319-E321 PolarHBondContact O-N 2.78Å
320V53.7Low48.5Very low101 Ų101134.7 Ų134.761%0.61269%0.694SS**THydrogen-bonded Turntrans-75.6-20-171.2176.50000112.2L322 L323V320-L322 PolarHBondContact O-N 3.17Å; V320-L323 PolarHBondContact O-N 3.09Å
321E54.9Low50.4Low142 Ų142129 Ų12966%0.66467%0.674SS**THydrogen-bonded Turntrans-58.9-42.4175.8-71.573.7-155.200112.7P319 L323 R324P319-E321 VanDerWaalsContact C-N 3.31Å; P319-E321 PolarHBondContact O-N 2.78Å; E321-L323 PolarHBondContact O-N 3.2Å; E321-L323 VanDerWaalsContact O-N 3.13Å; E321-R324 PolarHBondContact O-N 3.33Å
322L44.7Very low51.9Low107 Ų107125.4 Ų125.456%0.5665%0.651SS**Hα-helixtrans-64.9-19.8-176.5-70.1173.6000113.9V320 R324 V326V320-L322 PolarHBondContact O-N 3.17Å; L322-R324 VanDerWaalsContact C-N 3.33Å; L322-V326 WeakPolarHBondContact O-CG2 3.01Å
323L49.8Very low53.3Low120 Ų120125.6 Ų125.663%0.62864%0.642SS**Hα-helixtrans-82.1-9.2177.2-80.381.4000113.3I318 V320 E321I318-L323 HydrophobicContact CG2-CD1 4.15Å; V320-L323 PolarHBondContact O-N 3.09Å; E321-L323 PolarHBondContact O-N 3.2Å; E321-L323 VanDerWaalsContact O-N 3.13Å
324R51.6Low55.4Low210 Ų210121.6 Ų121.679%0.79262%0.621SS**Hα-helixtrans-90.9-25.2-179.7-76.1-174.1169.7-179.1-2.3114.3E321 L322E321-R324 PolarHBondContact O-N 3.33Å; L322-R324 VanDerWaalsContact C-N 3.33Å
325E49.4Very low57Low152 Ų152126 Ų12671%0.7162%0.615SS**Hα-helixtrans-90.9-25.7-175.3-63.1-173.715400113.5W327E325-W327 VanDerWaalsContact C-N 3.27Å; E325-W327 PolarHBondContact O-N 3.24Å
326V48.9Very low58.4Low116 Ų116121.3 Ų121.370%0.70360%0.599SS**THydrogen-bonded Turntrans-68.6-24.8-178.9179.30000112.5L322L322-V326 WeakPolarHBondContact O-CG2 3.01Å
327W52.7Low60.3Low142 Ų142120.1 Ų120.154%0.53858%0.584SS.*THydrogen-bonded Turntrans-117.344.3-168.2-98.329.1000114.4E325 D329 K330E325-W327 VanDerWaalsContact C-N 3.27Å; E325-W327 PolarHBondContact O-N 3.24Å; W327-D329 PolarHBondContact O-N 2.98Å; W327-K330 HydrophobicContact CB-CB 4.13Å; W327-K330 HydrophobicContact CD2-CB 4.07Å; W327-K330 HydrophobicContact CD2-CG 4.23Å; W327-K330 HydrophobicContact CE3-CB 3.71Å; W327-K330 HydrophobicContact CE3-CD 3.53Å; W327-K330 HydrophobicContact CE3-CG 3.39Å; W327-K330 HydrophobicContact CG-CB 4.31Å; W327-K330 HydrophobicContact CZ3-CB 4.36Å; W327-K330 HydrophobicContact CZ3-CD 3.86Å; W327-K330 HydrophobicContact CZ3-CG 3.63Å; W327-K330 WeakPolarHBondContact O-CB 3.45Å; W327-K330 PolarHBondContact O-N 3.32Å
328L51.5Low61.6Low158 Ų158111.4 Ų111.483%0.82756%0.563SS**THydrogen-bonded Turntrans-60.3-23.9171-90.1165.8000114.1
329D57.4Low63.1Low119 Ų119108.2 Ų108.264%0.63656%0.555SS**THydrogen-bonded Turntrans-109.314.3179.9-129.5-7.7000114.1W327 P331 A332 Y333W327-D329 PolarHBondContact O-N 2.98Å; D329-P331 VanDerWaalsContact C-CD 3.42Å; D329-P331 VanDerWaalsContact C-N 3.29Å; D329-A332 WeakPolarHBondContact O-CA 3.21Å; D329-A332 WeakPolarHBondContact O-CB 3.2Å; D329-A332 PolarHBondContact O-N 2.61Å; D329-A332 WeakPolarHBondContact OD1-CB 3.48Å; D329-Y333 PolarHBondContact O-N 3.02Å
330K67.8Low64.5Low82 Ų82110.9 Ų110.936%0.35756%0.559SS.*Hα-helixtrans-46.9-45.5175-179.8-168.4-159-42.40112.8W327 A332 Y333 D334W327-K330 HydrophobicContact CB-CB 4.13Å; W327-K330 HydrophobicContact CD2-CB 4.07Å; W327-K330 HydrophobicContact CD2-CG 4.23Å; W327-K330 HydrophobicContact CE3-CB 3.71Å; W327-K330 HydrophobicContact CE3-CD 3.53Å; W327-K330 HydrophobicContact CE3-CG 3.39Å; W327-K330 HydrophobicContact CG-CB 4.31Å; W327-K330 HydrophobicContact CZ3-CB 4.36Å; W327-K330 HydrophobicContact CZ3-CD 3.86Å; W327-K330 HydrophobicContact CZ3-CG 3.63Å; W327-K330 WeakPolarHBondContact O-CB 3.45Å; W327-K330 PolarHBondContact O-N 3.32Å; K330-A332 VanDerWaalsContact C-N 3.26Å; K330-A332 PolarHBondContact O-N 2.8Å; K330-Y333 PolarHBondContact O-N 2.92Å; K330-D334 IonicContact NZ-OD1 2.68Å; K330-D334 PolarHBondContact NZ-OD1 3.49Å; K330-D334 IonicContact NZ-OD2 2.68Å; K330-D334 PolarHBondContact NZ-OD2 3.38Å; K330-D334 VanDerWaalsContact O-CB 3.32Å; K330-D334 WeakPolarHBondContact O-CB 3.31Å; K330-D334 PolarHBondContact O-N 3.01Å
331P77.6Confident65.6Low71 Ų71111.1 Ų111.146%0.46155%0.549SS..Hα-helixtrans-68.4-22.3-179.7-19.634.3000114D329 R335D329-P331 VanDerWaalsContact C-CD 3.42Å; D329-P331 VanDerWaalsContact C-N 3.29Å; P331-R335 WeakPolarHBondContact O-CB 3.48Å; P331-R335 VanDerWaalsContact O-CG 3.24Å; P331-R335 WeakPolarHBondContact O-CG 3.33Å; P331-R335 PolarHBondContact O-N 3.11Å; P331-R335 PolarHBondContact O-NE 2.93Å; P331-R335 PolarHBondContact O-NH1 3.33Å; P331-R335 PolarHBondContact O-NH2 2.95Å
332A69.4Low66.6Low32 Ų32111.2 Ų111.226%0.26455%0.55SS..Hα-helixtrans-80-40.5171.900000111.1D329 K330 R335 A336D329-A332 WeakPolarHBondContact O-CA 3.21Å; D329-A332 WeakPolarHBondContact O-CB 3.2Å; D329-A332 PolarHBondContact O-N 2.61Å; D329-A332 WeakPolarHBondContact OD1-CB 3.48Å; K330-A332 VanDerWaalsContact C-N 3.26Å; K330-A332 PolarHBondContact O-N 2.8Å; A332-R335 PolarHBondContact O-N 3.04Å; A332-A336 PolarHBondContact O-N 3.32Å
333Y72.8Confident68Low158 Ų158111.7 Ų111.762%0.6255%0.553SS**Hα-helixtrans-63.7-49.9175.5-145.2-85.8000111.8D329 K330 R335 A336 E337D329-Y333 PolarHBondContact O-N 3.02Å; K330-Y333 PolarHBondContact O-N 2.92Å; Y333-R335 PolarHBondContact O-N 2.82Å; Y333-A336 PolarHBondContact O-N 2.84Å; Y333-A336 VanDerWaalsContact O-N 3.09Å; Y333-E337 WeakPolarHBondContact O-CB 3.4Å; Y333-E337 PolarHBondContact O-N 3.31Å
334D84.4Confident68.9Low64 Ų64110 Ų11034%0.34254%0.544SS..Hα-helixtrans-56.5-36.2174.2-68-7.2000111.1K330 A338K330-D334 IonicContact NZ-OD1 2.68Å; K330-D334 PolarHBondContact NZ-OD1 3.49Å; K330-D334 IonicContact NZ-OD2 2.68Å; K330-D334 PolarHBondContact NZ-OD2 3.38Å; K330-D334 VanDerWaalsContact O-CB 3.32Å; K330-D334 WeakPolarHBondContact O-CB 3.31Å; K330-D334 PolarHBondContact O-N 3.01Å; D334-A338 WeakPolarHBondContact O-CB 3.39Å; D334-A338 PolarHBondContact O-N 3.13Å
335R80.6Confident69.6Low165 Ų165107.4 Ų107.462%0.62354%0.535SS*.Hα-helixtrans-71.2-41.3174.8-83.7-173.3-60.2-102.10.5112.9P331 A332 Y333 A339P331-R335 WeakPolarHBondContact O-CB 3.48Å; P331-R335 VanDerWaalsContact O-CG 3.24Å; P331-R335 WeakPolarHBondContact O-CG 3.33Å; P331-R335 PolarHBondContact O-N 3.11Å; P331-R335 PolarHBondContact O-NE 2.93Å; P331-R335 PolarHBondContact O-NH1 3.33Å; P331-R335 PolarHBondContact O-NH2 2.95Å; A332-R335 PolarHBondContact O-N 3.04Å; Y333-R335 PolarHBondContact O-N 2.82Å; R335-A339 WeakPolarHBondContact O-CB 3.43Å; R335-A339 PolarHBondContact O-N 3.15Å
336A76.6Confident69.8Low61 Ų61103 Ų10350%0.50453%0.525SS..Hα-helixtrans-66.4-41.8177.400000111.2A332 Y333 A339 F340A332-A336 PolarHBondContact O-N 3.32Å; Y333-A336 PolarHBondContact O-N 2.84Å; Y333-A336 VanDerWaalsContact O-N 3.09Å; A336-A339 PolarHBondContact O-N 2.64Å; A336-F340 WeakPolarHBondContact O-CB 3.23Å; A336-F340 PolarHBondContact O-N 2.65Å
337E77.6Confident69.8Low89 Ų89104.1 Ų104.142%0.41653%0.527SS..Hα-helixtrans-67.5-41.7177-163.2175.8-145.900111.5Y333 A339 F340 Y341Y333-E337 WeakPolarHBondContact O-CB 3.4Å; Y333-E337 PolarHBondContact O-N 3.31Å; E337-A339 PolarHBondContact O-N 3.11Å; E337-F340 PolarHBondContact O-N 3.46Å; E337-Y341 HydrophobicContact CG-CD2 3.82Å; E337-Y341 HydrophobicContact CG-CE2 3.57Å; E337-Y341 VanDerWaalsContact O-CD2 3.28Å; E337-Y341 WeakPolarHBondContact O-CD2 3.35Å; E337-Y341 PolarHBondContact O-N 3.32Å
338A74.9Confident69.5Low57 Ų57104.2 Ų104.247%0.47154%0.538SS..Hα-helixtrans-60-43.7171.700000112.4D334 Q342D334-A338 WeakPolarHBondContact O-CB 3.39Å; D334-A338 PolarHBondContact O-N 3.13Å; A338-Q342 WeakPolarHBondContact O-CB 3.36Å; A338-Q342 PolarHBondContact O-N 3.36Å
339A77.3Confident69.1Low52 Ų52101.4 Ų101.443%0.4353%0.532SS..Hα-helixtrans-65.1-39176.200000112.4R335 A336 E337 Q342 N343R335-A339 WeakPolarHBondContact O-CB 3.43Å; R335-A339 PolarHBondContact O-N 3.15Å; A336-A339 PolarHBondContact O-N 2.64Å; E337-A339 PolarHBondContact O-N 3.11Å; A339-Q342 PolarHBondContact O-N 3.29Å; A339-N343 PolarHBondContact O-N 3.1Å
340F80.5Confident68.4Low130 Ų130101.2 Ų101.257%0.5754%0.54SS*.Hα-helixtrans-61.6-52.8175.9176.6-99.4000111.8A336 E337 Q342 N343 L344A336-F340 WeakPolarHBondContact O-CB 3.23Å; A336-F340 PolarHBondContact O-N 2.65Å; E337-F340 PolarHBondContact O-N 3.46Å; F340-Q342 VanDerWaalsContact C-N 3.34Å; F340-Q342 PolarHBondContact O-N 3.09Å; F340-N343 PolarHBondContact O-N 2.91Å; F340-L344 WeakPolarHBondContact O-CB 3.49Å; F340-L344 PolarHBondContact O-N 2.83Å
341Y78.2Confident66.8Low107 Ų107106.4 Ų106.442%0.4256%0.562SS.*Hα-helixtrans-67.1-34.4177-74.3-62.4000112.6E337 N343 L344 Y345E337-Y341 HydrophobicContact CG-CD2 3.82Å; E337-Y341 HydrophobicContact CG-CE2 3.57Å; E337-Y341 VanDerWaalsContact O-CD2 3.28Å; E337-Y341 WeakPolarHBondContact O-CD2 3.35Å; E337-Y341 PolarHBondContact O-N 3.32Å; Y341-N343 VanDerWaalsContact C-N 3.34Å; Y341-N343 PolarHBondContact O-N 3Å; Y341-L344 HydrophobicContact CD1-CD2 4.04Å; Y341-L344 HydrophobicContact CE1-CD2 4.33Å; Y341-L344 PolarHBondContact O-N 3.27Å; Y341-Y345 AromaticContact CD1-CE2 3.81Å; Y341-Y345 HydrophobicContact CD1-CE2 3.81Å; Y341-Y345 HydrophobicContact CG-CE2 4.48Å; Y341-Y345 WeakPolarHBondContact O-CD2 3.38Å; Y341-Y345 PolarHBondContact O-N 3.39Å
342Q75.6Confident64.7Low144 Ų144114.2 Ų114.267%0.67358%0.582SS**Hα-helixtrans-60.2-43.6173.1-174.4172.512.100111.2A338 A339 F340 A346A338-Q342 WeakPolarHBondContact O-CB 3.36Å; A338-Q342 PolarHBondContact O-N 3.36Å; A339-Q342 PolarHBondContact O-N 3.29Å; F340-Q342 VanDerWaalsContact C-N 3.34Å; F340-Q342 PolarHBondContact O-N 3.09Å; Q342-A346 WeakPolarHBondContact O-CB 3.48Å; Q342-A346 PolarHBondContact O-N 3.29Å
343N72.8Confident63Low117 Ų117121 Ų12163%0.62661%0.609SS**Hα-helixtrans-67.4-39.4175.7-116.90.5000112.6A339 F340 Y341 Y345A339-N343 PolarHBondContact O-N 3.1Å; F340-N343 PolarHBondContact O-N 2.91Å; Y341-N343 VanDerWaalsContact C-N 3.34Å; Y341-N343 PolarHBondContact O-N 3Å; N343-Y345 VanDerWaalsContact C-N 3.33Å; N343-Y345 PolarHBondContact O-N 3.38Å
344L70Confident60.9Low83 Ų83119.9 Ų119.944%0.43561%0.612SS.*Hα-helixtrans-62.1-38.3179.3-163.773.9000112.5F340 Y341 N348F340-L344 WeakPolarHBondContact O-CB 3.49Å; F340-L344 PolarHBondContact O-N 2.83Å; Y341-L344 HydrophobicContact CD1-CD2 4.04Å; Y341-L344 HydrophobicContact CE1-CD2 4.33Å; Y341-L344 PolarHBondContact O-N 3.27Å; L344-N348 PolarHBondContact O-ND2 3.37Å
345Y66.3Low58.1Low157 Ų157122.3 Ų122.362%0.61663%0.633SS**Hα-helixtrans-97.8-27-177.4-64.3-61000114.4Y341 N343 N347 N348Y341-Y345 AromaticContact CD1-CE2 3.81Å; Y341-Y345 HydrophobicContact CD1-CE2 3.81Å; Y341-Y345 HydrophobicContact CG-CE2 4.48Å; Y341-Y345 WeakPolarHBondContact O-CD2 3.38Å; Y341-Y345 PolarHBondContact O-N 3.39Å; N343-Y345 VanDerWaalsContact C-N 3.33Å; N343-Y345 PolarHBondContact O-N 3.38Å; Y345-N347 VanDerWaalsContact C-N 3.32Å; Y345-N347 PolarHBondContact O-N 2.86Å; Y345-N348 PolarHBondContact O-N 3.37Å
346A51.9Low55.5Low59 Ų59121 Ų12149%0.48864%0.643SS.*Hα-helixtrans-64.3-35.5175.900000112.7Q342 N348 S349Q342-A346 WeakPolarHBondContact O-CB 3.48Å; Q342-A346 PolarHBondContact O-N 3.29Å; A346-N348 PolarHBondContact O-N 2.89Å; A346-N348 VanDerWaalsContact O-N 3.12Å; A346-S349 PolarHBondContact O-N 3.17Å
347N50Low53.4Low140 Ų140124 Ų12475%0.74966%0.657SS**THydrogen-bonded Turntrans-68.3-7.8-179.3-98.5-18.1000115Y345Y345-N347 VanDerWaalsContact C-N 3.32Å; Y345-N347 PolarHBondContact O-N 2.86Å
348N47.3Very low50.9Low143 Ų143126 Ų12677%0.76568%0.676SS**THydrogen-bonded Turntrans-105.42.5-179.8-77.4-58.8000114.6L344 Y345 A346L344-N348 PolarHBondContact O-ND2 3.37Å; Y345-N348 PolarHBondContact O-N 3.37Å; A346-N348 PolarHBondContact O-N 2.89Å; A346-N348 VanDerWaalsContact O-N 3.12Å
349S41.1Very low48.6Very low100 Ų100129.2 Ų129.270%0.69969%0.69SS**SBendtrans-96.9-15.5-170.1-1630000115.9A346A346-S349 PolarHBondContact O-N 3.17Å
350S43.3Very low46.3Very low115 Ų115138.4 Ų138.480%0.80471%0.714SS**SBendtrans-117.545.9-166.4-64.80000115.4
351K34.1Very low43.8Very low190 Ų190135.5 Ų135.583%0.82672%0.72SS**SBendtrans-152.272165.6-143.6169.8-167.2169.80115.6
352R33.1Very low41.5Very low235 Ų235135.8 Ų135.889%0.88774%0.738SS**  168.2153.2119.9-92.5167.8-178.9-168.42115
353Q34.4Very low39.3Very low176 Ų176136.7 Ų136.782%0.82275%0.747SS**  trans95.6131.6169.2-58.3-163.6-12.700115.2
354I28.6Very low37.2Very low133 Ų133139.7 Ų139.768%0.68276%0.757SS**  cis-157.6154.8-0.3-121.1163.6000111.7
355C26.1Very low36Very low116 Ų116140.1 Ų140.178%0.78477%0.765SS**  trans49.2120.2161.9-67.40000123
356T25.4Very low34Very low136 Ų136141.3 Ų141.383%0.83478%0.776SS**PPolyproline II helixtrans-80143.8155.249.90000112.7
357P32Very low32.7Very low124 Ų124143.9 Ų143.981%0.80579%0.79SS**PPolyproline II helixtrans-93.2142.6152.834-28.7000112
358T25.2Very low31.4Very low132 Ų132144 Ų14481%0.8179%0.791SS**PPolyproline II helixtrans-53.2131.5177.9-55.50000115.3
359T28Very low30.4Very low125 Ų125144.4 Ų144.477%0.76779%0.79SS**  -173.7150.3119.118.20000114.5
360R28.7Very low29.9Very low245 Ų245146.1 Ų146.193%0.92579%0.786SS**  trans-18.1141.9165.8-53.6155.490.7165.96.3115.1
361G27.9Very low29.2Very low69 Ų69148.2 Ų148.271%0.71178%0.783SS**  cis145.8169.612.100000109.9
362S30.3Very low28.9Very low113 Ų113146.4 Ų146.479%0.7978%0.778SS**  trans89.5115.6174.3-64.80000119.8
363D29Very low28.7Very low162 Ų162142.7 Ų142.787%0.86677%0.771SS**  trans86.4155.1141.5-52.4-32.6000123
364H28.4Very low28.4Very low180 Ų180142.8 Ų142.883%0.83377%0.771SS**  trans-146.8170.3-147.9-175.565.4000106.9
365P44.9Very low28.4Very low92 Ų92144.7 Ų144.760%0.59778%0.777SS**  -134.7-176.9-56.142.8-29.6000115.1
366Q23.5Very low28.4Very low183 Ų183146.7 Ų146.786%0.85578%0.78SS**  trans-59.7141.8149.4-85.9163-78.500111.9
367S24.7Very low28.4Very low112 Ų112144.7 Ų144.778%0.78377%0.771SS**  100.8138.660.4-160.90000111.4
368L24.1Very low28.3Very low144 Ų144147.1 Ų147.175%0.75477%0.772SS**  trans-152.9156.8-178.1-138.9175.9000107.7
369M26.2Very low28.3Very low151 Ų151147.6 Ų147.674%0.74477%0.77SS**  trans75.1145.6170.1-53-176.2124.200114.3
370E29.1Very low28.2Very low135 Ų135149.4 Ų149.463%0.63177%0.771SS**  cis155.6153.3-16.9-105166.3162.200103.9
371E29Very low28.3Very low159 Ų159141.6 Ų141.674%0.74376%0.76SS**  trans64.5166.8162.8-65159.1-166.300116
372E28.5Very low28.3Very low152 Ų152147.5 Ų147.571%0.7177%0.768SS**  cis-159.9174.3-35.9-108.1166.6-175.600108.1
373E28.2Very low28.4Very low158 Ų158150.9 Ų150.974%0.73877%0.772SS**  trans21.6121145.2-59.7-177.7172.800120.5
374E29.2Very low28.4Very low177 Ų177152.1 Ų152.183%0.82777%0.772SS**  102.5175.494.1-79.9-153.4160.900114
375E29.2Very low28.5Very low174 Ų174152.7 Ų152.781%0.81377%0.773SS**  trans79.6115.4175.1-59.1-170.3168.400119.4
376D24.5Very low28.2Very low157 Ų157153.3 Ų153.384%0.8478%0.777SS**  44.1147.2115.6-60.8-7.6000120.1
377S27.1Very low28.2Very low94 Ų94151.8 Ų151.866%0.65777%0.773SS**  cis-161.2157.517.652.30000112.9
378E28.8Very low28.4Very low176 Ų176152.6 Ų152.682%0.82277%0.768SS**  trans57.1137.6138.1-66.7174164.100124.6
379D26.1Very low28.6Very low141 Ų141151.8 Ų151.875%0.75476%0.764SS**  trans85.3108.6142-83.54.8000125.3
380M25.5Very low28.6Very low163 Ų163154.1 Ų154.180%0.80377%0.772SS**  88.8138.4120.4-70.2-71.9-75.700123.1
381A29.6Very low28.4Very low82 Ų82152.3 Ų152.368%0.67877%0.774SS**  trans70.1149.7158.100000117.8
382E29.4Very low28.2Very low192 Ų192154.2 Ų154.290%0.89778%0.78SS**  cis-155.9-175.2-12.6-122.5172.9-167.700109.4
383E30.6Very low28.2Very low184 Ų184150.7 Ų150.786%0.8678%0.776SS**  trans-71.4170.7-177.5-67.8-172.4105.100116
384E29.3Very low28.3Very low188 Ų188150.7 Ų150.788%0.87978%0.776SS**  trans110.4147148.9-59.6-139.9113.200120.7
385K31.1Very low28.5Very low193 Ų193147.6 Ų147.684%0.83977%0.769SS**  trans-77.5-176179.9-63.4171.3177.6165.90109.6
386P37.9Very low28.5Very low105 Ų105147.3 Ų147.368%0.68277%0.766SS**  cis-150.9-176.816.646.7-25.1000118.4
387L24.8Very low28.6Very low150 Ų150147.5 Ų147.579%0.78576%0.761SS**  23.5146129.2-54.6171.2000118.6
388I27.7Very low28.8Very low130 Ų130147 Ų14767%0.66776%0.762SS**  cis-176.4159.528.2-132.2168.5000113.5
389L29.6Very low28.8Very low127 Ų127145.8 Ų145.867%0.66576%0.761SS**  trans50.1135.9152.9-70.6171.7000124.1C391L389-C391 WeakPolarHBondContact CD2-SG 3.49Å
390Q26.1Very low28.9Very low199 Ų199147.6 Ų147.693%0.9376%0.764SS**  -150.2142.997.5-112.8-175.527.900115
391C24.4Very low29.8Very low98 Ų98144.7 Ų144.766%0.66276%0.758SS**  trans-111168.7-175.7-690000113.4L389L389-C391 WeakPolarHBondContact CD2-SG 3.49Å
392K24.1Very low29.5Very low199 Ų199148 Ų14887%0.86576%0.763SS**  trans-173150.4152.4-106.9169.3174.1172.90107.7
393A28.7Very low29.3Very low77 Ų77146.9 Ų146.964%0.63676%0.757SS**  cis-176.5166.8-18.100000108.8
394E31.6Very low29.3Very low159 Ų159146.6 Ų146.674%0.74376%0.756SS**  cis175.8148-31.8-93.8134.444.400106.6
395V33.3Very low29.1Very low112 Ų112145.9 Ų145.968%0.67975%0.753SS**  cis-167.2179.2-21102.40000108.9
396F27.6Very low28.9Very low168 Ų168145.3 Ų145.374%0.73775%0.753SS**  trans112.2140.5163.9-68.3-65.4000117.3
397H27.9Very low28.5Very low160 Ų160147.8 Ų147.874%0.74176%0.755SS**  cis-154.4145.87-118.6-62.6000110.9
398A31.8Very low28.8Very low83 Ų83146.6 Ų146.669%0.68676%0.757SS**  trans42.4152.2141.400000123.4
399L28Very low28.8Very low151 Ų151144.1 Ų144.179%0.79176%0.756SS**  cis-170138.3-8.5-105.4170.4000111
400H27.4Very low28.6Very low179 Ų179147.1 Ų147.183%0.82977%0.766SS**  trans53.5154.5149.3-93.9-108.5000125.7
401P44.3Very low28.4Very low102 Ų102141.9 Ų141.966%0.66275%0.751SS**  trans-106.9171.3-179.442.1-33.4000114.3
402I24.4Very low28.5Very low152 Ų152144.1 Ų144.178%0.77976%0.756SS**  trans179.6150.1152.7-101.7153.7000114.5
403Q23.8Very low28.6Very low169 Ų169141.7 Ų141.779%0.7975%0.748SS**  trans85.5146.3155.1-95.6164.8-72.600125.8
404E30.5Very low28.4Very low177 Ų177143.4 Ų143.483%0.82775%0.75SS**  trans-95.3-165.8178.2-58.9168.4121.300111.4
405E26.8Very low28.1Very low174 Ų174144.6 Ų144.681%0.81376%0.756SS**  trans80141.5179.1-51.9-179147.400113.9
406E26.3Very low27.6Very low181 Ų181147.5 Ų147.585%0.84676%0.762SS**  cis-152.7161.15.3-146.4179157.500110
407E29.3Very low28.1Very low156 Ų156144.4 Ų144.473%0.72976%0.759SS**  trans-82.5165.5166.3-148.2-163.5-126.200109.9
408P31.5Very low28.1Very low125 Ų125142.1 Ų142.181%0.81276%0.761SS**  -151.4164.893.637.5-19000116.8
409A27Very low27.9Very low78 Ų78141.6 Ų141.665%0.64576%0.764SS**  trans-84.8163.2178.200000115.9
410E25.7Very low27.9Very low190 Ų190140.9 Ų140.989%0.88877%0.765SS**  trans-170.1162.3150.1-111.8-179.8-159.400110.4
411S22.2Very low28Very low89 Ų89136.6 Ų136.662%0.62275%0.754SS**  -160.7150-86.558.50000112.8
412L26.5Very low27.4Very low145 Ų145141.5 Ų141.576%0.75977%0.766SS**  trans64.9156.9153.4-59.6162.9000117.9
413E26.8Very low27.6Very low149 Ų149142.6 Ų142.670%0.69677%0.765SS**  cis-155.4134.62.2-120.1150.5-148.400107.7
414T23.5Very low28.1Very low112 Ų112143 Ų14369%0.68777%0.772SS**  69.2124.5100.8-42.80000114.4
415E25Very low28.2Very low185 Ų185140.3 Ų140.386%0.86476%0.759SS**  -158.415878-73.5-103.1109.300114.1
416E23.6Very low29Very low173 Ų173137.5 Ų137.581%0.80876%0.756SS**  trans-97-170.6178.4-119.8-157.1-149.800111.6
417P38.8Very low29.5Very low103 Ų103134.5 Ų134.567%0.66975%0.746SS**  cis-149.2171.227.842.8-21.2000120.7
418S26.1Very low30.4Very low112 Ų112132 Ų13278%0.78375%0.745SS**  trans66.7136.2158.472.20000118.4
419G28Very low31.3Very low72 Ų72134.2 Ų134.274%0.74275%0.745SS**  cis145.6135.46.600000107
420V29.2Very low32.2Very low135 Ų135138.3 Ų138.382%0.81876%0.755SS**  cis-161.8138.636.3160.40000110.9
421C29.6Very low32.9Very low89 Ų89135.9 Ų135.960%0.60175%0.753SS**  trans45.4147.2155.9-60.10000122.4
422F31.3Very low33.8Very low205 Ų205143.9 Ų143.990%0.89977%0.77SS**  cis-130.5157.221.2-81.5-91.3000114.8
423F28.5Very low34.7Very low175 Ų175142.6 Ų142.677%0.76876%0.763SS**  trans-86.2148.7-175.5-88.1-116.9000114.5
424L33.9Very low35.7Very low177 Ų177139.4 Ų139.493%0.92775%0.751SS**  trans-120.4139.5140.6-79167.3000107.3
425H32.7Very low37.3Very low121 Ų121140.6 Ų140.656%0.5675%0.746SS**  trans-82.2146.8-164.1-147.9-97.7000112.7D427H425-D427 IonicContact CE1-OD2 2.7Å; H425-D427 PolarHBondContact CE1-OD2 3.04Å; H425-D427 IonicContact ND1-OD2 2.69Å; H425-D427 PolarHBondContact ND1-OD2 3.02Å; H425-D427 PolarHBondContact O-N 3.48Å; H425-D427 VanDerWaalsContact O-N 3.09Å
426P44.5Very low38.3Very low115 Ų115140 Ų14075%0.74774%0.736SS**THydrogen-bonded Turntrans-69.5-0179.5-20.234.2000116.5
427D36.2Very low39.5Very low118 Ų118139.6 Ų139.663%0.63173%0.727SS**THydrogen-bonded Turntrans-107.217.5-169.8-52-26.7000113.1H425 E429H425-D427 IonicContact CE1-OD2 2.7Å; H425-D427 PolarHBondContact CE1-OD2 3.04Å; H425-D427 IonicContact ND1-OD2 2.69Å; H425-D427 PolarHBondContact ND1-OD2 3.02Å; H425-D427 PolarHBondContact O-N 3.48Å; H425-D427 VanDerWaalsContact O-N 3.09Å; D427-E429 PolarHBondContact O-N 3.24Å
428S47Very low40.4Very low104 Ų104141 Ų14173%0.72772%0.72SS**SBendtrans-80.640.3178.668.20000113.3
429E50.8Low42.3Very low172 Ų172138.6 Ų138.680%0.80470%0.699SS**SBendtrans-164.4148164-110.6159.5-130.100110.2D427D427-E429 PolarHBondContact O-N 3.24Å
430L47.4Very low44Very low164 Ų164136.9 Ų136.986%0.85968%0.678SS**  trans75.647.5173.6-50.7179.9000120.6
431V38.8Very low45.4Very low139 Ų139133.2 Ų133.284%0.84266%0.661SS**  trans-137.275.1143.9-166.30000111.3
432W41.2Very low47.1Very low257 Ų257132.2 Ų132.297%0.97365%0.648SS**  trans-74.1140.7158.9-102.846.3000110D434W432-D434 PolarHBondContact O-N 2.73Å
433L45.8Very low48.6Very low118 Ų118127 Ų12762%0.61863%0.63SS**  trans-57.1124.7-169.5-81.962.5000111.6K435 Y438L433-K435 VanDerWaalsContact C-N 3.25Å; L433-K435 PolarHBondContact O-N 3.21Å; L433-Y438 HydrophobicContact CD2-CD2 3.53Å; L433-Y438 HydrophobicContact CD2-CE2 3.97Å; L433-Y438 HydrophobicContact CD2-CG 3.96Å; L433-Y438 HydrophobicContact CG-CD2 4.28Å
434D48.4Very low50Low81 Ų81128 Ų12843%0.43363%0.628SS.*  trans-68.287.5164.8-16614.4000108.4W432 W436 R437 Y438W432-D434 PolarHBondContact O-N 2.73Å; D434-W436 VanDerWaalsContact CG-CD1 3.48Å; D434-W436 PolarHBondContact O-N 3.11Å; D434-W436 VanDerWaalsContact O-N 3.07Å; D434-W436 PolarHBondContact OD1-NE1 2.84Å; D434-W436 PolarHBondContact OD2-NE1 2.84Å; D434-R437 HydrophobicContact CB-CB 4.47Å; D434-R437 HydrophobicContact CB-CG 4.22Å; D434-R437 WeakPolarHBondContact O-CA 3.11Å; D434-R437 WeakPolarHBondContact O-CB 3.43Å; D434-R437 PolarHBondContact O-N 2.87Å; D434-R437 WeakPolarHBondContact OD2-CD 3.27Å; D434-R437 WeakPolarHBondContact OD2-CG 3.37Å; D434-Y438 PolarHBondContact O-N 3.04Å
435K56.8Low51.2Low137 Ų137127 Ų12760%0.59662%0.616SS**Hα-helixtrans-52.9-38.4-161.4-172.2-174-179.1-60.20113L433 R437 Y438 D439L433-K435 VanDerWaalsContact C-N 3.25Å; L433-K435 PolarHBondContact O-N 3.21Å; K435-R437 VanDerWaalsContact C-N 3.29Å; K435-R437 PolarHBondContact O-N 2.98Å; K435-Y438 PolarHBondContact O-N 3.27Å; K435-D439 IonicContact NZ-OD1 2.98Å; K435-D439 PolarHBondContact NZ-OD1 3.01Å; K435-D439 IonicContact NZ-OD2 2.7Å; K435-D439 PolarHBondContact NZ-OD2 3.44Å; K435-D439 WeakPolarHBondContact O-CB 3.33Å; K435-D439 PolarHBondContact O-N 3.01Å
436W46Very low52.2Low173 Ų173126.3 Ų126.366%0.65561%0.613SS**Hα-helixtrans-64.8-30.7178.879.3-85000113D434 A440D434-W436 VanDerWaalsContact CG-CD1 3.48Å; D434-W436 PolarHBondContact O-N 3.11Å; D434-W436 VanDerWaalsContact O-N 3.07Å; D434-W436 PolarHBondContact OD1-NE1 2.84Å; D434-W436 PolarHBondContact OD2-NE1 2.84Å; W436-A440 WeakPolarHBondContact O-CB 3.35Å; W436-A440 PolarHBondContact O-N 3.22Å
437R49.5Very low52.3Low164 Ų164124.4 Ų124.462%0.61960%0.603SS**Hα-helixtrans-74.8-36.5175.6-60.9-177.565.1-168.3-0.3111.5D434 K435 A441D434-R437 HydrophobicContact CB-CB 4.47Å; D434-R437 HydrophobicContact CB-CG 4.22Å; D434-R437 WeakPolarHBondContact O-CA 3.11Å; D434-R437 WeakPolarHBondContact O-CB 3.43Å; D434-R437 PolarHBondContact O-N 2.87Å; D434-R437 WeakPolarHBondContact OD2-CD 3.27Å; D434-R437 WeakPolarHBondContact OD2-CG 3.37Å; K435-R437 VanDerWaalsContact C-N 3.29Å; K435-R437 PolarHBondContact O-N 2.98Å; R437-A441 WeakPolarHBondContact O-CB 3.37Å; R437-A441 PolarHBondContact O-N 3.1Å
438Y56.2Low53.1Low132 Ų132128.4 Ų128.452%0.51861%0.609SS.*Hα-helixtrans-67.1-50.8174.2-159.1-80.1000110.4L433 D434 K435 A440 A441 E442L433-Y438 HydrophobicContact CD2-CD2 3.53Å; L433-Y438 HydrophobicContact CD2-CE2 3.97Å; L433-Y438 HydrophobicContact CD2-CG 3.96Å; L433-Y438 HydrophobicContact CG-CD2 4.28Å; D434-Y438 PolarHBondContact O-N 3.04Å; K435-Y438 PolarHBondContact O-N 3.27Å; Y438-A440 VanDerWaalsContact C-N 3.28Å; Y438-A440 PolarHBondContact O-N 2.9Å; Y438-A441 WeakPolarHBondContact O-CB 3.47Å; Y438-A441 PolarHBondContact O-N 2.65Å; Y438-E442 WeakPolarHBondContact O-CB 3.39Å; Y438-E442 PolarHBondContact O-N 2.94Å
439D65.9Low53.1Low62 Ų62125.6 Ų125.633%0.33260%0.597SS.*Hα-helixtrans-58.9-38175.8-64.1-20.9000111.8K435 N443K435-D439 IonicContact NZ-OD1 2.98Å; K435-D439 PolarHBondContact NZ-OD1 3.01Å; K435-D439 IonicContact NZ-OD2 2.7Å; K435-D439 PolarHBondContact NZ-OD2 3.44Å; K435-D439 WeakPolarHBondContact O-CB 3.33Å; K435-D439 PolarHBondContact O-N 3.01Å; D439-N443 VanDerWaalsContact O-CB 3.3Å; D439-N443 WeakPolarHBondContact O-CB 3.43Å; D439-N443 PolarHBondContact O-N 3.48Å; D439-N443 PolarHBondContact O-ND2 3.01Å
440A64.3Low52.8Low37 Ų37124.4 Ų124.431%0.30660%0.595SS.*Hα-helixtrans-69.8-31.5175.200000113.4W436 Y438 R444W436-A440 WeakPolarHBondContact O-CB 3.35Å; W436-A440 PolarHBondContact O-N 3.22Å; Y438-A440 VanDerWaalsContact C-N 3.28Å; Y438-A440 PolarHBondContact O-N 2.9Å; A440-R444 WeakPolarHBondContact O-CB 3.29Å; A440-R444 WeakPolarHBondContact O-CD 3.5Å; A440-R444 VanDerWaalsContact O-CG 3.22Å; A440-R444 WeakPolarHBondContact O-CG 3.43Å; A440-R444 PolarHBondContact O-N 3.33Å
441A58.6Low52.6Low57 Ų57123.5 Ų123.547%0.47159%0.591SS.*Hα-helixtrans-73.4-43.5173.400000111.2R437 Y438 R444 F445R437-A441 WeakPolarHBondContact O-CB 3.37Å; R437-A441 PolarHBondContact O-N 3.1Å; Y438-A441 WeakPolarHBondContact O-CB 3.47Å; Y438-A441 PolarHBondContact O-N 2.65Å; A441-R444 PolarHBondContact O-N 3.28Å; A441-F445 WeakPolarHBondContact O-CB 3.17Å; A441-F445 PolarHBondContact O-N 3.39Å
442E64.4Low52.9Low69 Ų69125.8 Ų125.832%0.32259%0.59SS.*Hα-helixtrans-60.3-47.7176.8-164.264.8-128.800110.8Y438 R444 F445 Q446Y438-E442 WeakPolarHBondContact O-CB 3.39Å; Y438-E442 PolarHBondContact O-N 2.94Å; E442-R444 VanDerWaalsContact C-N 3.32Å; E442-R444 PolarHBondContact O-N 3.12Å; E442-F445 WeakPolarHBondContact O-CB 3.5Å; E442-F445 PolarHBondContact O-N 2.96Å; E442-F445 VanDerWaalsContact O-N 3.09Å; E442-Q446 WeakPolarHBondContact O-CG 3.34Å; E442-Q446 PolarHBondContact O-N 2.9Å
443N63.9Low52.8Low96 Ų96119.9 Ų119.951%0.51358%0.582SS.*Hα-helixtrans-62.5-35.2175.2-74.6-26.3000113D439 S447D439-N443 VanDerWaalsContact O-CB 3.3Å; D439-N443 WeakPolarHBondContact O-CB 3.43Å; D439-N443 PolarHBondContact O-N 3.48Å; D439-N443 PolarHBondContact O-ND2 3.01Å; N443-S447 WeakPolarHBondContact O-CB 3.4Å; N443-S447 PolarHBondContact O-N 2.9Å; N443-S447 PolarHBondContact O-OG 3.47Å
444R56.7Low52.4Low194 Ų194120 Ų12073%0.73259%0.591SS**Hα-helixtrans-71.4-32.3173.5-75.8173.1179.3-164.11.3112.5A440 A441 E442 R448A440-R444 WeakPolarHBondContact O-CB 3.29Å; A440-R444 WeakPolarHBondContact O-CD 3.5Å; A440-R444 VanDerWaalsContact O-CG 3.22Å; A440-R444 WeakPolarHBondContact O-CG 3.43Å; A440-R444 PolarHBondContact O-N 3.33Å; A441-R444 PolarHBondContact O-N 3.28Å; E442-R444 VanDerWaalsContact C-N 3.32Å; E442-R444 PolarHBondContact O-N 3.12Å; R444-R448 PolarHBondContact O-N 3Å
445F60.7Low51.6Low156 Ų156120.8 Ų120.868%0.68461%0.609SS**Hα-helixtrans-70.8-47.1175.6-176.3-106.4000111.1A441 E442 S447 R448 G449A441-F445 WeakPolarHBondContact O-CB 3.17Å; A441-F445 PolarHBondContact O-N 3.39Å; E442-F445 WeakPolarHBondContact O-CB 3.5Å; E442-F445 PolarHBondContact O-N 2.96Å; E442-F445 VanDerWaalsContact O-N 3.09Å; F445-S447 PolarHBondContact O-N 3Å; F445-R448 CarbonylContact O-C 3.59Å; F445-R448 PolarHBondContact O-N 3.16Å; F445-G449 PolarHBondContact O-N 3.43Å
446Q53Low50.2Low107 Ų107122.6 Ų122.650%0.562%0.62SS.*Hα-helixtrans-63.1-41.6176.1-67.3177.218.800112.1E442 R448 G449 L450E442-Q446 WeakPolarHBondContact O-CG 3.34Å; E442-Q446 PolarHBondContact O-N 2.9Å; Q446-R448 VanDerWaalsContact C-N 3.3Å; Q446-R448 PolarHBondContact O-N 3.22Å; Q446-G449 WeakPolarHBondContact O-CA 3.38Å; Q446-G449 PolarHBondContact O-N 3.23Å; Q446-L450 PolarHBondContact O-N 3.34Å
447S46.3Very low49.6Very low76 Ų76123.7 Ų123.753%0.53163%0.629SS.*Hα-helixtrans-59.8-38.3173.7-59.20000112.3N443 F445 G449N443-S447 WeakPolarHBondContact O-CB 3.4Å; N443-S447 PolarHBondContact O-N 2.9Å; N443-S447 PolarHBondContact O-OG 3.47Å; F445-S447 PolarHBondContact O-N 3Å; S447-G449 VanDerWaalsContact C-N 3.3Å; S447-G449 PolarHBondContact O-N 2.83Å
448R52.7Low48.9Very low202 Ų202124.7 Ų124.776%0.76264%0.638SS**Hα-helixtrans-75.9-13.4173.5-80.2-175.5171.3-125.3-2.5114.5R444 F445 Q446R444-R448 PolarHBondContact O-N 3Å; F445-R448 CarbonylContact O-C 3.59Å; F445-R448 PolarHBondContact O-N 3.16Å; Q446-R448 VanDerWaalsContact C-N 3.3Å; Q446-R448 PolarHBondContact O-N 3.22Å
449G48Very low47.7Very low45 Ų45124.9 Ų124.946%0.46465%0.648SS.*Hα-helixtrans-75.8-36.1173.800000112.7F445 Q446 S447F445-G449 PolarHBondContact O-N 3.43Å; Q446-G449 WeakPolarHBondContact O-CA 3.38Å; Q446-G449 PolarHBondContact O-N 3.23Å; S447-G449 VanDerWaalsContact C-N 3.3Å; S447-G449 PolarHBondContact O-N 2.83Å
450L43.8Very low46Very low147 Ų147133.2 Ų133.277%0.7768%0.675SS**Hα-helixtrans-77.3-33.2-178.4-72.6166.9000113.3Q446 K452Q446-L450 PolarHBondContact O-N 3.34Å; L450-K452 PolarHBondContact O-N 3.37Å; L450-K452 VanDerWaalsContact O-N 3.14Å
451D44.1Very low44.3Very low145 Ų145142.2 Ų142.278%0.77570%0.701SS**THydrogen-bonded Turntrans-74.33.7177.1-78.4-24.2000114.7
452K43.8Very low43.7Very low187 Ų187143.8 Ų143.881%0.81371%0.706SS**THydrogen-bonded Turntrans-104.915.1178.7-79.8-171.7172.9-176.10115.2L450L450-K452 PolarHBondContact O-N 3.37Å; L450-K452 VanDerWaalsContact O-N 3.14Å
453V39.6Very low41.9Very low132 Ų132149 Ų14980%0.873%0.73SS**SBendtrans-122.443172.6-161.90000112
454C37.4Very low40.2Very low122 Ų122148.6 Ų148.682%0.82474%0.74SS**SBendtrans-156.376.8162.2-162.10000114.1
455A30.9Very low38.8Very low97 Ų97146.6 Ų146.680%0.80274%0.739SS**  trans-166.8147.1150.200000112.6
456E27.7Very low37.3Very low175 Ų175146.7 Ų146.782%0.81874%0.74SS**  trans77.180.6151.8-159.4164.7-137.800120.5
457K33.7Very low36Very low195 Ų195146.4 Ų146.485%0.84875%0.749SS**  -171.2105.4104.6-106.6163.8-175.4167.10117
458K35.5Very low35.1Very low185 Ų185148.1 Ų148.180%0.80476%0.761SS**  25.7112.1129.9-148.7170-172.3174.20120.5
459N30.5Very low34Very low137 Ų137143.1 Ų143.173%0.73376%0.763SS**  trans68.3114.7143.7-70.9-12.5000124.2
460R30.3Very low33Very low237 Ų237146.6 Ų146.689%0.89478%0.78SS**  trans48.2118.8134.1-64.9-170.1176-163.8-0.4122.8
461R29.6Very low32.4Very low225 Ų225145.4 Ų145.485%0.84978%0.784SS**  14161.8128-94.5-162.4114.7178.50.7120.7
462P45.8Very low31.8Very low91 Ų91147.8 Ų147.859%0.59179%0.788SS**  cis-146-170.1-19.838.3-16.8000116.7
463E26Very low31.1Very low178 Ų178146.9 Ų146.983%0.83279%0.788SS**  trans97.6152.4148.5-66.1-93.9123.500122.6
464A29.2Very low31.4Very low87 Ų87145 Ų14572%0.71978%0.779SS**  trans86.793.4158.600000122.6
465E26.5Very low31.1Very low153 Ų153147.8 Ų147.872%0.71578%0.777SS**  46.5137.3122.4-64.6-156.4132.900126
466K28.4Very low31.3Very low158 Ų158153.8 Ų153.869%0.68778%0.779SS**  trans82.7116135-77.8166.1-172.31510123.5
467S26.9Very low31.9Very low101 Ų101153.2 Ų153.271%0.70678%0.781SS**  67.6120.3129.466.50000124.2
468S27.2Very low32.2Very low112 Ų112153.2 Ų153.278%0.78378%0.781SS**  77.6125.3127.367.30000123.8
469A28.3Very low32.6Very low97 Ų97153.9 Ų153.980%0.80279%0.785SS**  trans83.6110.3133.800000122.6
470S27.5Very low33.1Very low117 Ų117154 Ų15482%0.81878%0.782SS**  trans62.6114.2132.4-161.70000121.9
471S31.2Very low34.2Very low122 Ų122145.3 Ų145.385%0.85376%0.758SS**  -162.9166.1122.157.20000111.1
472K31.8Very low35Very low195 Ų195139 Ų13985%0.84875%0.748SS**  trans-106.7160-166.7-75.3-177.8172.9177.50114.6
473M29.4Very low35.5Very low168 Ų168139.7 Ų139.783%0.82875%0.751SS**  trans88.6158.8155.5-50.8-14976.600117.8
474P45Very low36.8Very low93 Ų93135.4 Ų135.460%0.60473%0.733SS**  -136.8-175.6-5538.5-22.8000113.2
475K31.2Very low37.8Very low180 Ų180137.7 Ų137.778%0.78373%0.727SS**  trans76.7117.4170.5-52.3173.4179.5-178.90116.9
476R34.7Very low39Very low223 Ų223135.6 Ų135.684%0.84272%0.72SS**  -172.6144.989.5-93.8177.4-176.590.3-6.4110.3K478R476-K478 PolarHBondContact O-N 2.88Å
477D40.5Very low40.1Very low163 Ų163132 Ų13287%0.87272%0.72SS**  trans-62.9114179-50.3-79.6000110.3K479D477-K479 VanDerWaalsContact C-N 3.32Å; D477-K479 PolarHBondContact O-N 3.39Å
478K39.8Very low41.1Very low195 Ų195135 Ų13585%0.84872%0.722SS**  trans-81.586.4175.5-166.6169-176.7-178.90108.6R476 M480R476-K478 PolarHBondContact O-N 2.88Å; K478-M480 PolarHBondContact O-N 2.84Å
479K45.3Very low42.1Very low200 Ų200134 Ų13487%0.8771%0.706SS**  trans-53.4101.4166.9-164.9173.9-172.5178.80107.9D477D477-K479 VanDerWaalsContact C-N 3.32Å; D477-K479 PolarHBondContact O-N 3.39Å
480M40.7Very low43.4Very low140 Ų140136.5 Ų136.569%0.6970%0.699SS**  trans-61138.7173.7-67.5-176.4174.800108.1K478K478-M480 PolarHBondContact O-N 2.84Å
481S53.7Low44.6Very low53 Ų53135.7 Ų135.737%0.37168%0.684SS.*  trans-79.4151.8-177.678.30000109.5V483 D484S481-V483 PolarHBondContact O-N 2.82Å; S481-D484 WeakPolarHBondContact CB-OD2 3.32Å; S481-D484 PolarHBondContact N-OD2 3.31Å; S481-D484 WeakPolarHBondContact O-CB 3.47Å; S481-D484 PolarHBondContact O-N 3.47Å; S481-D484 PolarHBondContact OG-OD2 3.08Å
482S45.6Very low45.5Very low93 Ų93139.6 Ų139.665%0.6568%0.68SS**Hα-helixtrans-59.8-17.1177.3-164.40000113.3
483V56.6Low46.3Very low106 Ų106138.9 Ų138.964%0.64268%0.677SS**Hα-helixtrans-76.6-32.3177.7-170.60000111.3S481 F485 L486 A487S481-V483 PolarHBondContact O-N 2.82Å; V483-F485 VanDerWaalsContact C-N 3.29Å; V483-F485 PolarHBondContact O-N 2.94Å; V483-L486 PolarHBondContact O-N 3.03Å; V483-A487 PolarHBondContact O-N 3.2Å
484D52.7Low47.5Very low88 Ų88133.6 Ų133.647%0.47165%0.65SS.*Hα-helixtrans-69.3-28.3178.1-56.7-62.3000111.8S481S481-D484 WeakPolarHBondContact CB-OD2 3.32Å; S481-D484 PolarHBondContact N-OD2 3.31Å; S481-D484 WeakPolarHBondContact O-CB 3.47Å; S481-D484 PolarHBondContact O-N 3.47Å; S481-D484 PolarHBondContact OG-OD2 3.08Å
485F50Low48.8Very low134 Ų134133.3 Ų133.359%0.58864%0.64SS**Hα-helixtrans-70.7-49.6173.8-91.3-93.9000112.1V483 A487 Q488V483-F485 VanDerWaalsContact C-N 3.29Å; V483-F485 PolarHBondContact O-N 2.94Å; F485-A487 VanDerWaalsContact C-N 3.25Å; F485-A487 PolarHBondContact O-N 3.23Å; F485-Q488 PolarHBondContact O-N 3.49Å
486L52.9Low50.9Low110 Ų110129 Ų12958%0.57663%0.63SS**Hα-helixtrans-63.2-30.2-178.6-68.3167.8000112.7V483 Q488 E489V483-L486 PolarHBondContact O-N 3.03Å; L486-Q488 PolarHBondContact O-N 3.21Å; L486-E489 PolarHBondContact O-N 3.28Å
487A51.3Low52.6Low81 Ų81126.8 Ų126.867%0.66962%0.622SS**THydrogen-bonded Turntrans-68.7-17.617500000113.9V483 F485V483-A487 PolarHBondContact O-N 3.2Å; F485-A487 VanDerWaalsContact C-N 3.25Å; F485-A487 PolarHBondContact O-N 3.23Å
488Q48.6Very low54Low164 Ų164125.4 Ų125.477%0.76661%0.605SS**THydrogen-bonded Turntrans-97.1-9.9179.1-127.174.350.500113.2F485 L486 K490F485-Q488 PolarHBondContact O-N 3.49Å; L486-Q488 PolarHBondContact O-N 3.21Å; Q488-K490 PolarHBondContact O-N 3.07Å; Q488-K490 VanDerWaalsContact O-N 3.12Å
489E47.6Very low55.8Low92 Ų92118.8 Ų118.843%0.4358%0.579SS.*  trans-77.197.8-178.7-73.9-178.5178.200111.8L486 I491L486-E489 PolarHBondContact O-N 3.28Å; E489-I491 HydrophobicContact CB-CD1 4.36Å; E489-I491 HydrophobicContact CB-CG1 4.38Å; E489-I491 HydrophobicContact CG-CD1 4.37Å; E489-I491 PolarHBondContact O-N 3.2Å
490K54.8Low57.2Low150 Ų150112.1 Ų112.165%0.65255%0.551SS**G310 helixtrans-55.7-16.5171.3-81.7-174.4172.4-175.70114.5Q488 W492 F493 E494Q488-K490 PolarHBondContact O-N 3.07Å; Q488-K490 VanDerWaalsContact O-N 3.12Å; K490-W492 PolarHBondContact O-N 3.07Å; K490-W492 VanDerWaalsContact O-N 3.16Å; K490-F493 PolarHBondContact O-N 2.8Å; K490-E494 PolarHBondContact O-N 3.43Å
491I53.9Low58.9Low99 Ų99108.1 Ų108.151%0.50854%0.54SS..G310 helixtrans-50.3-42.1-176.7-52.8172.5000111.1E489 E494 K495E489-I491 HydrophobicContact CB-CD1 4.36Å; E489-I491 HydrophobicContact CB-CG1 4.38Å; E489-I491 HydrophobicContact CG-CD1 4.37Å; E489-I491 PolarHBondContact O-N 3.2Å; I491-E494 PolarHBondContact O-N 2.91Å; I491-K495 PolarHBondContact O-N 3.17Å
492W49.9Very low60.1Low205 Ų205110.4 Ų110.478%0.77755%0.545SS*.G310 helixtrans-73.5-31.3-179-154.2-98.8000113.9K490 K495K490-W492 PolarHBondContact O-N 3.07Å; K490-W492 VanDerWaalsContact O-N 3.16Å; W492-K495 WeakPolarHBondContact O-CB 3.4Å
493F47.5Very low61.7Low180 Ų180112.3 Ų112.379%0.78954%0.538SS*.THydrogen-bonded Turntrans-77.7-26.5175.2-72.3-81.1000112.7K490K490-F493 PolarHBondContact O-N 2.8Å
494E55.7Low62.5Low56 Ų56114.8 Ų114.826%0.26254%0.536SS..SBendtrans-920.7175.4-64.7-165.2137.900113.2K490 I491 P496 R497 Y498K490-E494 PolarHBondContact O-N 3.43Å; I491-E494 PolarHBondContact O-N 2.91Å; E494-P496 VanDerWaalsContact C-CD 3.47Å; E494-P496 VanDerWaalsContact C-N 3.34Å; E494-R497 WeakPolarHBondContact O-CA 3.5Å; E494-R497 VanDerWaalsContact O-CB 3.28Å; E494-R497 WeakPolarHBondContact O-CB 3.2Å; E494-R497 PolarHBondContact O-N 2.81Å; E494-R497 IonicContact OE1-NH1 2.61Å; E494-R497 PolarHBondContact OE1-NH1 3.43Å; E494-Y498 HydrophobicContact CB-CD2 4.01Å; E494-Y498 HydrophobicContact CB-CE2 3.74Å; E494-Y498 WeakPolarHBondContact O-CD2 3.37Å; E494-Y498 PolarHBondContact O-N 3.11Å
495K72.5Confident63.6Low88 Ų88116 Ų11638%0.38354%0.537SS..Hα-helixtrans-42.4-49.3174.2-167.1-169.1-177.9-50.60114I491 W492 R497 Y498 D499I491-K495 PolarHBondContact O-N 3.17Å; W492-K495 WeakPolarHBondContact O-CB 3.4Å; K495-R497 PolarHBondContact O-N 3.09Å; K495-Y498 CarbonylContact O-C 3.57Å; K495-Y498 PolarHBondContact O-N 2.97Å; K495-Y498 VanDerWaalsContact O-N 3.08Å; K495-D499 IonicContact NZ-OD1 3.3Å; K495-D499 PolarHBondContact NZ-OD1 3.01Å; K495-D499 IonicContact NZ-OD2 2.76Å; K495-D499 PolarHBondContact NZ-OD2 3.46Å; K495-D499 WeakPolarHBondContact O-CB 3.49Å; K495-D499 PolarHBondContact O-N 3.05Å
496P75.2Confident64.6Low88 Ų88115.5 Ų115.557%0.57153%0.532SS*.Hα-helixtrans-64.4-22177.625-35.4000114.6E494 E500E494-P496 VanDerWaalsContact C-CD 3.47Å; E494-P496 VanDerWaalsContact C-N 3.34Å; P496-E500 VanDerWaalsContact O-CB 3.27Å; P496-E500 WeakPolarHBondContact O-CB 3.28Å; P496-E500 PolarHBondContact O-N 3.41Å; P496-E500 VanDerWaalsContact O-N 3.15Å
497R70.3Confident65.6Low177 Ų177115.8 Ų115.867%0.66853%0.53SS*.Hα-helixtrans-78.7-37.6171.4-64.4176.9166.9177.6-8.9111.7E494 K495 A501E494-R497 WeakPolarHBondContact O-CA 3.5Å; E494-R497 VanDerWaalsContact O-CB 3.28Å; E494-R497 WeakPolarHBondContact O-CB 3.2Å; E494-R497 PolarHBondContact O-N 2.81Å; E494-R497 IonicContact OE1-NH1 2.61Å; E494-R497 PolarHBondContact OE1-NH1 3.43Å; K495-R497 PolarHBondContact O-N 3.09Å; R497-A501 VanDerWaalsContact O-CB 3.27Å; R497-A501 WeakPolarHBondContact O-CB 3.26Å; R497-A501 PolarHBondContact O-N 3.43Å
498Y69.1Low66.3Low134 Ų134120.5 Ų120.553%0.52553%0.531SS..Hα-helixtrans-67.6-43.9172.6-72.5-73.3000111.2E494 K495 E500 A501 E502E494-Y498 HydrophobicContact CB-CD2 4.01Å; E494-Y498 HydrophobicContact CB-CE2 3.74Å; E494-Y498 WeakPolarHBondContact O-CD2 3.37Å; E494-Y498 PolarHBondContact O-N 3.11Å; K495-Y498 CarbonylContact O-C 3.57Å; K495-Y498 PolarHBondContact O-N 2.97Å; K495-Y498 VanDerWaalsContact O-N 3.08Å; Y498-E500 VanDerWaalsContact C-N 3.32Å; Y498-E500 PolarHBondContact O-N 3.5Å; Y498-A501 PolarHBondContact O-N 3.44Å; Y498-E502 VanDerWaalsContact O-CB 3.23Å; Y498-E502 WeakPolarHBondContact O-CB 3.47Å; Y498-E502 PolarHBondContact O-N 3.1Å
499D78.4Confident66.7Low57 Ų57117.6 Ų117.631%0.30552%0.518SS..Hα-helixtrans-60.7-38.4174.8-61.4-13.6000111.7K495 R503K495-D499 IonicContact NZ-OD1 3.3Å; K495-D499 PolarHBondContact NZ-OD1 3.01Å; K495-D499 IonicContact NZ-OD2 2.76Å; K495-D499 PolarHBondContact NZ-OD2 3.46Å; K495-D499 WeakPolarHBondContact O-CB 3.49Å; K495-D499 PolarHBondContact O-N 3.05Å; D499-R503 VanDerWaalsContact O-CB 3.3Å; D499-R503 WeakPolarHBondContact O-CB 3.43Å; D499-R503 PolarHBondContact O-N 3.46Å
500E74.6Confident67.4Low60 Ų60120.3 Ų120.328%0.2854%0.536SS..Hα-helixtrans-72.6-37.8174.4174.866.3-172.800112.4P496 Y498 R503 R504P496-E500 VanDerWaalsContact O-CB 3.27Å; P496-E500 WeakPolarHBondContact O-CB 3.28Å; P496-E500 PolarHBondContact O-N 3.41Å; P496-E500 VanDerWaalsContact O-N 3.15Å; Y498-E500 VanDerWaalsContact C-N 3.32Å; Y498-E500 PolarHBondContact O-N 3.5Å; E500-R503 IonicContact OE2-CZ 2.75Å; E500-R503 IonicContact OE2-NH1 2.78Å; E500-R503 PolarHBondContact OE2-NH1 2.76Å; E500-R504 WeakPolarHBondContact O-CB 3.42Å; E500-R504 VanDerWaalsContact O-CG 3.31Å; E500-R504 WeakPolarHBondContact O-CG 3.43Å; E500-R504 PolarHBondContact O-N 3.17Å; E500-R504 IonicContact OE1-CZ 2.64Å; E500-R504 VanDerWaalsContact OE1-CZ 3.22Å; E500-R504 IonicContact OE1-NE 3.21Å; E500-R504 PolarHBondContact OE1-NE 2.84Å; E500-R504 IonicContact OE1-NH2 2.9Å; E500-R504 PolarHBondContact OE1-NH2 3.29Å
501A76.6Confident67.4Low55 Ų55116.2 Ų116.246%0.45554%0.537SS..Hα-helixtrans-67.8-39174.600000111.7R497 Y498 R504 F505R497-A501 VanDerWaalsContact O-CB 3.27Å; R497-A501 WeakPolarHBondContact O-CB 3.26Å; R497-A501 PolarHBondContact O-N 3.43Å; Y498-A501 PolarHBondContact O-N 3.44Å; A501-R504 PolarHBondContact O-N 3.44Å; A501-F505 VanDerWaalsContact O-CB 3.29Å; A501-F505 WeakPolarHBondContact O-CB 3.45Å; A501-F505 PolarHBondContact O-N 3.08Å
502E77.7Confident67.3Low101 Ų101114.2 Ų114.247%0.47253%0.531SS..Hα-helixtrans-65.8-45.3173.9-178172.5-148.200110.9Y498 R504 F505 Y506Y498-E502 VanDerWaalsContact O-CB 3.23Å; Y498-E502 WeakPolarHBondContact O-CB 3.47Å; Y498-E502 PolarHBondContact O-N 3.1Å; E502-R504 PolarHBondContact O-N 2.62Å; E502-F505 WeakPolarHBondContact O-CB 3.31Å; E502-F505 PolarHBondContact O-N 3.05Å; E502-F505 VanDerWaalsContact O-N 3.15Å; E502-Y506 HydrophobicContact CG-CD2 3.73Å; E502-Y506 HydrophobicContact CG-CE2 3.45Å; E502-Y506 VanDerWaalsContact CG-CE2 3.45Å; E502-Y506 WeakPolarHBondContact O-CD2 3.33Å; E502-Y506 PolarHBondContact O-N 2.82Å
503R80.8Confident67.1Low134 Ų134109.5 Ų109.551%0.50653%0.53SS..Hα-helixtrans-55.2-50.4171.1-178.3-175.3-61.1131.82.7111.3D499 E500 F505 Y506 E507D499-R503 VanDerWaalsContact O-CB 3.3Å; D499-R503 WeakPolarHBondContact O-CB 3.43Å; D499-R503 PolarHBondContact O-N 3.46Å; E500-R503 IonicContact OE2-CZ 2.75Å; E500-R503 IonicContact OE2-NH1 2.78Å; E500-R503 PolarHBondContact OE2-NH1 2.76Å; R503-F505 VanDerWaalsContact C-N 3.28Å; R503-F505 PolarHBondContact O-N 3.41Å; R503-Y506 PolarHBondContact O-N 3.33Å; R503-E507 HydrophobicContact CG-CG 4.39Å; R503-E507 VanDerWaalsContact CG-OE1 3.31Å; R503-E507 WeakPolarHBondContact CG-OE1 3.46Å; R503-E507 WeakPolarHBondContact O-CB 3.43Å; R503-E507 WeakPolarHBondContact O-CG 3.33Å; R503-E507 PolarHBondContact O-N 3.46Å
504R72.7Confident67.2Low158 Ų158108.2 Ų108.260%0.59653%0.526SS*.Hα-helixtrans-64.3-31.1177.5-73.6178.9-172.4-131.3-4.2113.2E500 A501 E502 R508E500-R504 WeakPolarHBondContact O-CB 3.42Å; E500-R504 VanDerWaalsContact O-CG 3.31Å; E500-R504 WeakPolarHBondContact O-CG 3.43Å; E500-R504 PolarHBondContact O-N 3.17Å; E500-R504 IonicContact OE1-CZ 2.64Å; E500-R504 VanDerWaalsContact OE1-CZ 3.22Å; E500-R504 IonicContact OE1-NE 3.21Å; E500-R504 PolarHBondContact OE1-NE 2.84Å; E500-R504 IonicContact OE1-NH2 2.9Å; E500-R504 PolarHBondContact OE1-NH2 3.29Å; A501-R504 PolarHBondContact O-N 3.44Å; E502-R504 PolarHBondContact O-N 2.62Å; R504-R508 WeakPolarHBondContact O-CB 3.49Å; R504-R508 PolarHBondContact O-N 2.89Å
505F74.9Confident67.1Low113 Ų113111 Ų11150%0.49654%0.543SS..Hα-helixtrans-68.1-45.3174.4175.9-99.1000111.3A501 E502 R503 R508 M509A501-F505 VanDerWaalsContact O-CB 3.29Å; A501-F505 WeakPolarHBondContact O-CB 3.45Å; A501-F505 PolarHBondContact O-N 3.08Å; E502-F505 WeakPolarHBondContact O-CB 3.31Å; E502-F505 PolarHBondContact O-N 3.05Å; E502-F505 VanDerWaalsContact O-N 3.15Å; R503-F505 VanDerWaalsContact C-N 3.28Å; R503-F505 PolarHBondContact O-N 3.41Å; F505-R508 PolarHBondContact O-N 3Å; F505-M509 HydrophobicContact CE1-CE 3.83Å; F505-M509 HydrophobicContact CE1-SD 4.32Å; F505-M509 HydrophobicContact CE2-CE 4.46Å; F505-M509 HydrophobicContact CZ-CE 3.58Å; F505-M509 PolarHBondContact O-N 2.75Å
506Y71.3Confident66.2Low123 Ų123114.7 Ų114.748%0.48257%0.565SS.*Hα-helixtrans-70.7-35.7174.8-72.6-62.8000113E502 R503 R508 M509 N510E502-Y506 HydrophobicContact CG-CD2 3.73Å; E502-Y506 HydrophobicContact CG-CE2 3.45Å; E502-Y506 VanDerWaalsContact CG-CE2 3.45Å; E502-Y506 WeakPolarHBondContact O-CD2 3.33Å; E502-Y506 PolarHBondContact O-N 2.82Å; R503-Y506 PolarHBondContact O-N 3.33Å; Y506-R508 VanDerWaalsContact C-N 3.31Å; Y506-R508 PolarHBondContact O-N 3.35Å; Y506-M509 PolarHBondContact O-N 3.07Å; Y506-N510 WeakPolarHBondContact O-CB 3.44Å; Y506-N510 PolarHBondContact O-N 3.19Å; Y506-N510 PolarHBondContact O-OD1 3Å
507E73.6Confident65Low116 Ų116118.9 Ų118.954%0.54258%0.577SS.*Hα-helixtrans-64.5-34.4170.1-74.1171.5-178.200111.9R503 G511R503-E507 HydrophobicContact CG-CG 4.39Å; R503-E507 VanDerWaalsContact CG-OE1 3.31Å; R503-E507 WeakPolarHBondContact CG-OE1 3.46Å; R503-E507 WeakPolarHBondContact O-CB 3.43Å; R503-E507 WeakPolarHBondContact O-CG 3.33Å; R503-E507 PolarHBondContact O-N 3.46Å; E507-G511 VanDerWaalsContact O-CA 3.31Å; E507-G511 WeakPolarHBondContact O-CA 3.25Å; E507-G511 PolarHBondContact O-N 3.16Å
508R67.1Low64Low181 Ų181113.7 Ų113.768%0.68356%0.563SS**Hα-helixtrans-71.2-41.2172.7-177.6105.1-76.4163.9-1.5111.8R504 F505 Y506 S512R504-R508 WeakPolarHBondContact O-CB 3.49Å; R504-R508 PolarHBondContact O-N 2.89Å; F505-R508 PolarHBondContact O-N 3Å; Y506-R508 VanDerWaalsContact C-N 3.31Å; Y506-R508 PolarHBondContact O-N 3.35Å; R508-S512 PolarHBondContact O-N 2.84Å; R508-S512 PolarHBondContact O-OG 2.91Å
509M56.8Low63.4Low102 Ų102111.3 Ų111.350%0.50256%0.561SS.*Hα-helixtrans-61.2-53.2173-85.1-158.1174.800111.2F505 Y506 G511 S512F505-M509 HydrophobicContact CE1-CE 3.83Å; F505-M509 HydrophobicContact CE1-SD 4.32Å; F505-M509 HydrophobicContact CE2-CE 4.46Å; F505-M509 HydrophobicContact CZ-CE 3.58Å; F505-M509 PolarHBondContact O-N 2.75Å; Y506-M509 PolarHBondContact O-N 3.07Å; M509-G511 VanDerWaalsContact C-N 3.29Å; M509-G511 PolarHBondContact O-N 3.32Å; M509-S512 PolarHBondContact O-N 3.33Å
510N61.9Low62.5Low149 Ų149110.2 Ų110.280%0.79756%0.564SS**Hα-helixtrans-70.1-26.7-178.1-70.219.3000112.5Y506Y506-N510 WeakPolarHBondContact O-CB 3.44Å; Y506-N510 PolarHBondContact O-N 3.19Å; Y506-N510 PolarHBondContact O-OD1 3Å
511G55.4Low62.1Low65 Ų65109.5 Ų109.567%0.6757%0.568SS**Hα-helixtrans-91.7-7.2178.300000115.5E507 M509E507-G511 VanDerWaalsContact O-CA 3.31Å; E507-G511 WeakPolarHBondContact O-CA 3.25Å; E507-G511 PolarHBondContact O-N 3.16Å; M509-G511 VanDerWaalsContact C-N 3.29Å; M509-G511 PolarHBondContact O-N 3.32Å
512S50.9Low62Low56 Ų56110.3 Ų110.339%0.39257%0.565SS.*SBendtrans-152.985.1178.643.70000114.3R508 M509R508-S512 PolarHBondContact O-N 2.84Å; R508-S512 PolarHBondContact O-OG 2.91Å; M509-S512 PolarHBondContact O-N 3.33Å
513S47.3Very low62.2Low107 Ų107107.7 Ų107.775%0.74856%0.56SS**SBendtrans-147.821.7160.5-77.20000113.8
514Q48.7Very low62.4Low153 Ų153106.4 Ų106.472%0.71556%0.563SS**SBendtrans-134.727.8-173.3-88.9-85.6-67.100113.2
515N52.4Low63.2Low114 Ų114104 Ų10461%0.6156%0.561SS**SBendtrans-144.7-33.4-175.4-136.9-105.5000118.1V519N515-V519 WeakPolarHBondContact O-CB 3.4Å; N515-V519 WeakPolarHBondContact O-CG2 3.24Å; N515-V519 PolarHBondContact O-N 3.25Å; N515-V519 VanDerWaalsContact O-N 3.14Å; N515-V519 WeakPolarHBondContact OD1-CG2 3.43Å
516I53.7Low63.8Low165 Ų165104.2 Ų104.285%0.84656%0.564SS**Hα-helixtrans-77.4-42.2-169.2-61.4177.4000112.9
517Q50.3Low64.8Low176 Ų176102.6 Ų102.682%0.82256%0.563SS**Hα-helixtrans-84-33.7172.1-70-178.6-2.300112.3G520 A521Q517-G520 PolarHBondContact O-N 3.27Å; Q517-A521 WeakPolarHBondContact O-CB 3.4Å; Q517-A521 PolarHBondContact O-N 2.85Å
518D49.6Very low65.6Low69 Ų69100.6 Ų100.637%0.36956%0.556SS.*Hα-helixtrans-70.8-33.8-174-133-27.2000112.6A521 N522D518-A521 PolarHBondContact O-N 2.78Å; D518-N522 VanDerWaalsContact O-CB 3.27Å; D518-N522 WeakPolarHBondContact O-CB 3.32Å; D518-N522 PolarHBondContact O-N 2.87Å; D518-N522 PolarHBondContact O-ND2 2.9Å; D518-N522 PolarHBondContact OD1-ND2 2.76Å
519V57.2Low66.7Low83 Ų8394.7 Ų94.750%0.50355%0.545SS..Hα-helixtrans-65.5-40.6175169.30000111.5N515 A523N515-V519 WeakPolarHBondContact O-CB 3.4Å; N515-V519 WeakPolarHBondContact O-CG2 3.24Å; N515-V519 PolarHBondContact O-N 3.25Å; N515-V519 VanDerWaalsContact O-N 3.14Å; N515-V519 WeakPolarHBondContact OD1-CG2 3.43Å; V519-A523 WeakPolarHBondContact O-CB 3.14Å; V519-A523 PolarHBondContact O-N 3.43Å
520G59.5Low68.4Low35 Ų3596.6 Ų96.636%0.36155%0.547SS..Hα-helixtrans-65.7-45.9173.700000112.4Q517 N522 A523 I524Q517-G520 PolarHBondContact O-N 3.27Å; G520-N522 PolarHBondContact O-N 2.64Å; G520-A523 PolarHBondContact O-N 3.04Å; G520-I524 VanDerWaalsContact O-CG1 3.29Å; G520-I524 WeakPolarHBondContact O-CG1 3.43Å; G520-I524 PolarHBondContact O-N 2.79Å
521A65.2Low69.8Low44 Ų4491.9 Ų91.936%0.36453%0.528SS..Hα-helixtrans-62.8-42.4177.600000112.4Q517 D518 I524 L525Q517-A521 WeakPolarHBondContact O-CB 3.4Å; Q517-A521 PolarHBondContact O-N 2.85Å; D518-A521 PolarHBondContact O-N 2.78Å; A521-I524 PolarHBondContact O-N 2.88Å; A521-L525 WeakPolarHBondContact O-CB 3.36Å; A521-L525 WeakPolarHBondContact O-CD1 3.31Å; A521-L525 VanDerWaalsContact O-CG 3.27Å; A521-L525 WeakPolarHBondContact O-CG 3.38Å; A521-L525 PolarHBondContact O-N 2.74Å
522N74.2Confident71.6Confident72 Ų7296.8 Ų96.839%0.38553%0.526SS..Hα-helixtrans-69-35.3176.4-79.3-75.1000112.6D518 G520 L525 Q526D518-N522 VanDerWaalsContact O-CB 3.27Å; D518-N522 WeakPolarHBondContact O-CB 3.32Å; D518-N522 PolarHBondContact O-N 2.87Å; D518-N522 PolarHBondContact O-ND2 2.9Å; D518-N522 PolarHBondContact OD1-ND2 2.76Å; G520-N522 PolarHBondContact O-N 2.64Å; N522-L525 PolarHBondContact O-N 3.14Å; N522-Q526 WeakPolarHBondContact O-CB 3.19Å; N522-Q526 VanDerWaalsContact O-CG 3.24Å; N522-Q526 WeakPolarHBondContact O-CG 3.34Å; N522-Q526 PolarHBondContact O-N 3.06Å
523A82.6Confident73.5Confident46 Ų4698.5 Ų98.538%0.3853%0.529SS..Hα-helixtrans-62.7-47.6171.800000111.3V519 G520 L525 Q526 D527V519-A523 WeakPolarHBondContact O-CB 3.14Å; V519-A523 PolarHBondContact O-N 3.43Å; G520-A523 PolarHBondContact O-N 3.04Å; A523-L525 PolarHBondContact O-N 3.42Å; A523-Q526 PolarHBondContact O-N 3.08Å; A523-D527 PolarHBondContact O-N 2.83Å
524I85.3Confident75.5Confident108 Ų10898.5 Ų98.555%0.55452%0.52SS*.Hα-helixtrans-61.4-42.6176.5-67.9164.1000111.1G520 A521 Q526 D527 I528G520-I524 VanDerWaalsContact O-CG1 3.29Å; G520-I524 WeakPolarHBondContact O-CG1 3.43Å; G520-I524 PolarHBondContact O-N 2.79Å; A521-I524 PolarHBondContact O-N 2.88Å; I524-Q526 PolarHBondContact O-N 2.81Å; I524-D527 PolarHBondContact O-N 2.75Å; I524-I528 HydrophobicContact CG2-CD1 3.69Å; I524-I528 HydrophobicContact CG2-CG1 4.36Å; I524-I528 WeakPolarHBondContact O-CB 3.39Å; I524-I528 WeakPolarHBondContact O-CG1 3.44Å; I524-I528 PolarHBondContact O-N 3.39Å
525L88.6Confident77.5Confident106 Ų10696 Ų9656%0.55551%0.511SS*.Hα-helixtrans-63.8-39.3175.8-76.4164.3000112.4A521 N522 A523 A529A521-L525 WeakPolarHBondContact O-CB 3.36Å; A521-L525 WeakPolarHBondContact O-CD1 3.31Å; A521-L525 VanDerWaalsContact O-CG 3.27Å; A521-L525 WeakPolarHBondContact O-CG 3.38Å; A521-L525 PolarHBondContact O-N 2.74Å; N522-L525 PolarHBondContact O-N 3.14Å; A523-L525 PolarHBondContact O-N 3.42Å; L525-A529 WeakPolarHBondContact O-CB 3.32Å; L525-A529 PolarHBondContact O-N 2.77Å
526Q88.6Confident79.3Confident119 Ų11997 Ų9756%0.55651%0.512SS*.Hα-helixtrans-66.3-40.1174.8-75.5176.931.300112.1N522 A523 I524 A529 R530N522-Q526 WeakPolarHBondContact O-CB 3.19Å; N522-Q526 VanDerWaalsContact O-CG 3.24Å; N522-Q526 WeakPolarHBondContact O-CG 3.34Å; N522-Q526 PolarHBondContact O-N 3.06Å; A523-Q526 PolarHBondContact O-N 3.08Å; I524-Q526 PolarHBondContact O-N 2.81Å; Q526-A529 WeakPolarHBondContact O-CB 3.38Å; Q526-A529 PolarHBondContact O-N 2.68Å; Q526-R530 WeakPolarHBondContact O-CB 3.22Å; Q526-R530 PolarHBondContact O-N 3.24Å
527D91.3Very high80.8Confident89 Ų8995.3 Ų95.348%0.47650%0.498SS..Hα-helixtrans-75.6-32.6178.5-75.6-18.3000112.7A523 I524 A529 R530 A531A523-D527 PolarHBondContact O-N 2.83Å; I524-D527 PolarHBondContact O-N 2.75Å; D527-A529 VanDerWaalsContact C-N 3.32Å; D527-A529 PolarHBondContact O-N 2.94Å; D527-R530 PolarHBondContact O-N 3.36Å; D527-R530 IonicContact OD1-CZ 2.7Å; D527-R530 IonicContact OD1-NE 2.6Å; D527-R530 PolarHBondContact OD1-NE 2.86Å; D527-R530 VanDerWaalsContact OD1-NE 3.09Å; D527-R530 IonicContact OD1-NH2 2.9Å; D527-R530 PolarHBondContact OD1-NH2 2.8Å; D527-A531 VanDerWaalsContact O-CB 3.22Å; D527-A531 WeakPolarHBondContact O-CB 3.44Å; D527-A531 PolarHBondContact O-N 3.19Å
528I90.8Very high82.6Confident74 Ų7489.1 Ų89.138%0.37947%0.474SS..Hα-helixtrans-61.3-41.9166.5-70.6166.5000110.5I524 R532I524-I528 HydrophobicContact CG2-CD1 3.69Å; I524-I528 HydrophobicContact CG2-CG1 4.36Å; I524-I528 WeakPolarHBondContact O-CB 3.39Å; I524-I528 WeakPolarHBondContact O-CG1 3.44Å; I524-I528 PolarHBondContact O-N 3.39Å; I528-R532 WeakPolarHBondContact O-CB 3.32Å; I528-R532 WeakPolarHBondContact O-CG 3.28Å; I528-R532 PolarHBondContact O-N 3.07Å
529A89.4Confident84Confident56 Ų5690.7 Ų90.746%0.46348%0.482SS..Hα-helixtrans-64.7-44.6175.700000111.8L525 Q526 D527 R532 E533L525-A529 WeakPolarHBondContact O-CB 3.32Å; L525-A529 PolarHBondContact O-N 2.77Å; Q526-A529 WeakPolarHBondContact O-CB 3.38Å; Q526-A529 PolarHBondContact O-N 2.68Å; D527-A529 VanDerWaalsContact C-N 3.32Å; D527-A529 PolarHBondContact O-N 2.94Å; A529-R532 PolarHBondContact O-N 3.11Å; A529-E533 PolarHBondContact O-N 3.28Å
530R92.9Very high84.8Confident143 Ų14389.3 Ų89.354%0.5448%0.479SS..Hα-helixtrans-63.6-41.1177.8-159.8-170.8-47.4-77.1-0.7112.1Q526 D527 E533 N534Q526-R530 WeakPolarHBondContact O-CB 3.22Å; Q526-R530 PolarHBondContact O-N 3.24Å; D527-R530 PolarHBondContact O-N 3.36Å; D527-R530 IonicContact OD1-CZ 2.7Å; D527-R530 IonicContact OD1-NE 2.6Å; D527-R530 PolarHBondContact OD1-NE 2.86Å; D527-R530 VanDerWaalsContact OD1-NE 3.09Å; D527-R530 IonicContact OD1-NH2 2.9Å; D527-R530 PolarHBondContact OD1-NH2 2.8Å; R530-E533 PolarHBondContact O-N 2.96Å; R530-N534 WeakPolarHBondContact O-CB 3.27Å; R530-N534 PolarHBondContact O-N 3.08Å
531A91.7Very high85.4Confident49 Ų4988.7 Ų88.741%0.40547%0.473SS..Hα-helixtrans-65.1-44.6174.800000111.6D527 E533 N534 I535D527-A531 VanDerWaalsContact O-CB 3.22Å; D527-A531 WeakPolarHBondContact O-CB 3.44Å; D527-A531 PolarHBondContact O-N 3.19Å; A531-E533 VanDerWaalsContact C-N 3.33Å; A531-E533 PolarHBondContact O-N 3.47Å; A531-N534 PolarHBondContact O-N 3.1Å; A531-I535 VanDerWaalsContact O-CG1 3.29Å; A531-I535 WeakPolarHBondContact O-CG1 3.32Å; A531-I535 PolarHBondContact O-N 3.05Å
532R92.8Very high85.4Confident168 Ų16889.9 Ų89.963%0.63447%0.473SS*.Hα-helixtrans-59.7-42.7174.1-74.8170.2179.2-167.91.3111.7I528 A529 I535 Q536I528-R532 WeakPolarHBondContact O-CB 3.32Å; I528-R532 WeakPolarHBondContact O-CG 3.28Å; I528-R532 PolarHBondContact O-N 3.07Å; A529-R532 PolarHBondContact O-N 3.11Å; R532-I535 PolarHBondContact O-N 2.87Å; R532-Q536 WeakPolarHBondContact O-CB 3.36Å; R532-Q536 VanDerWaalsContact O-CG 3.31Å; R532-Q536 WeakPolarHBondContact O-CG 3.07Å; R532-Q536 PolarHBondContact O-N 2.95Å
533E90.8Very high85Confident93 Ų9394.3 Ų94.344%0.43549%0.489SS..Hα-helixtrans-65.1-41.1176.4-162.4-164.8158.400112A529 R530 A531 Q536 K537A529-E533 PolarHBondContact O-N 3.28Å; R530-E533 PolarHBondContact O-N 2.96Å; A531-E533 VanDerWaalsContact C-N 3.33Å; A531-E533 PolarHBondContact O-N 3.47Å; E533-Q536 PolarHBondContact O-N 2.67Å; E533-K537 HydrophobicContact CG-CD 4.28Å; E533-K537 WeakPolarHBondContact O-CB 3.28Å; E533-K537 WeakPolarHBondContact O-CG 3.35Å; E533-K537 PolarHBondContact O-N 3.24Å; E533-K537 WeakPolarHBondContact OE1-CE 3.36Å; E533-K537 IonicContact OE1-NZ 2.68Å; E533-K537 PolarHBondContact OE1-NZ 2.8Å
534N90.4Very high83.9Confident106 Ų10695.6 Ų95.657%0.56749%0.49SS*.Hα-helixtrans-65.6-41.6176.9-168.712.1000112.1R530 A531 K537 S538R530-N534 WeakPolarHBondContact O-CB 3.27Å; R530-N534 PolarHBondContact O-N 3.08Å; A531-N534 PolarHBondContact O-N 3.1Å; N534-K537 PolarHBondContact O-N 2.75Å; N534-S538 VanDerWaalsContact O-CB 3.32Å; N534-S538 WeakPolarHBondContact O-CB 3.4Å; N534-S538 PolarHBondContact O-N 3.29Å; N534-S538 PolarHBondContact O-OG 3.07Å
535I91.3Very high82.6Confident102 Ų10291.1 Ų91.152%0.52347%0.467SS..Hα-helixtrans-61.5-44.9172.9-67.7164000110.2A531 R532 S538 L539A531-I535 VanDerWaalsContact O-CG1 3.29Å; A531-I535 WeakPolarHBondContact O-CG1 3.32Å; A531-I535 PolarHBondContact O-N 3.05Å; R532-I535 PolarHBondContact O-N 2.87Å; I535-S538 PolarHBondContact O-N 2.95Å; I535-L539 HydrophobicContact CG2-CD1 3.84Å; I535-L539 HydrophobicContact CG2-CG 4.36Å; I535-L539 WeakPolarHBondContact O-CB 3.37Å; I535-L539 VanDerWaalsContact O-CG 3.3Å; I535-L539 WeakPolarHBondContact O-CG 3.37Å; I535-L539 PolarHBondContact O-N 3.36Å
536Q89.1Confident81Confident134 Ų13493.4 Ų93.463%0.62648%0.479SS*.Hα-helixtrans-64.3-41.2176.6-75.1178.20.200112.8R532 E533 L539 A540R532-Q536 WeakPolarHBondContact O-CB 3.36Å; R532-Q536 VanDerWaalsContact O-CG 3.31Å; R532-Q536 WeakPolarHBondContact O-CG 3.07Å; R532-Q536 PolarHBondContact O-N 2.95Å; E533-Q536 PolarHBondContact O-N 2.67Å; Q536-L539 PolarHBondContact O-N 2.86Å; Q536-A540 VanDerWaalsContact O-CB 3.25Å; Q536-A540 WeakPolarHBondContact O-CB 3.3Å; Q536-A540 PolarHBondContact O-N 3.42Å
537K86.1Confident79Confident130 Ų13090.5 Ų90.557%0.56547%0.472SS*.Hα-helixtrans-62.8-42.1173.3-79.9169.1165.3168.80111.5E533 N534 A540 G541E533-K537 HydrophobicContact CG-CD 4.28Å; E533-K537 WeakPolarHBondContact O-CB 3.28Å; E533-K537 WeakPolarHBondContact O-CG 3.35Å; E533-K537 PolarHBondContact O-N 3.24Å; E533-K537 WeakPolarHBondContact OE1-CE 3.36Å; E533-K537 IonicContact OE1-NZ 2.68Å; E533-K537 PolarHBondContact OE1-NZ 2.8Å; N534-K537 PolarHBondContact O-N 2.75Å; K537-A540 PolarHBondContact O-N 2.84Å; K537-G541 PolarHBondContact O-N 3.37Å
538S86.7Confident76.9Confident46 Ų4691.2 Ų91.232%0.32248%0.476SS..Hα-helixtrans-64.8-40.8175-810000112.8K147 N534 I535 G541 L542K147-S538 PolarHBondContact NZ-O 2.95Å; N534-S538 VanDerWaalsContact O-CB 3.32Å; N534-S538 WeakPolarHBondContact O-CB 3.4Å; N534-S538 PolarHBondContact O-N 3.29Å; N534-S538 PolarHBondContact O-OG 3.07Å; I535-S538 PolarHBondContact O-N 2.95Å; S538-G541 PolarHBondContact O-N 2.9Å; S538-L542 WeakPolarHBondContact O-CB 3.42Å; S538-L542 PolarHBondContact O-N 2.87Å
539L79.6Confident74.8Confident101 Ų10197.3 Ų97.353%0.52950%0.499SS..Hα-helixtrans-73.3-34.3176.1-72.5172.6000112.8I535 Q536 L542 K543I535-L539 HydrophobicContact CG2-CD1 3.84Å; I535-L539 HydrophobicContact CG2-CG 4.36Å; I535-L539 WeakPolarHBondContact O-CB 3.37Å; I535-L539 VanDerWaalsContact O-CG 3.3Å; I535-L539 WeakPolarHBondContact O-CG 3.37Å; I535-L539 PolarHBondContact O-N 3.36Å; Q536-L539 PolarHBondContact O-N 2.86Å; L539-L542 CarbonylContact O-C 3.58Å; L539-L542 PolarHBondContact O-N 2.89Å; L539-K543 VanDerWaalsContact O-CB 3.26Å; L539-K543 WeakPolarHBondContact O-CB 3.3Å; L539-K543 PolarHBondContact O-N 2.77Å
540A73.3Confident72.1Confident54 Ų5498.1 Ų98.145%0.44651%0.513SS..Hα-helixtrans-67.3-40.9171.500000110.7Q536 K537 L542 K543 N544Q536-A540 VanDerWaalsContact O-CB 3.25Å; Q536-A540 WeakPolarHBondContact O-CB 3.3Å; Q536-A540 PolarHBondContact O-N 3.42Å; K537-A540 PolarHBondContact O-N 2.84Å; A540-L542 VanDerWaalsContact C-N 3.34Å; A540-K543 PolarHBondContact O-N 2.88Å; A540-N544 VanDerWaalsContact O-CB 3.31Å; A540-N544 WeakPolarHBondContact O-CB 3.4Å; A540-N544 PolarHBondContact O-N 2.7Å
541G72.6Confident69.5Low23 Ų2396.8 Ų96.824%0.23753%0.526CS..Hα-helixtrans-53.8-50.3166.800000111.5K537 S538 N544 T545K537-G541 PolarHBondContact O-N 3.37Å; S538-G541 PolarHBondContact O-N 2.9Å; G541-N544 CarbonylContact O-C 3.54Å; G541-N544 PolarHBondContact O-N 3.15Å; G541-T545 WeakPolarHBondContact O-CG2 3.29Å
542L66.4Low66.8Low68 Ų68100.5 Ų100.536%0.35655%0.549SS..Hα-helixtrans-68.4-33-178.7-15480.8000114.1K147 P148 S538 L539 A540 T545K147-L542 HydrophobicContact CD-CD1 4.24Å; P148-L542 HydrophobicContact CB-CD1 3.55Å; P148-L542 HydrophobicContact CG-CD1 3.6Å; S538-L542 WeakPolarHBondContact O-CB 3.42Å; S538-L542 PolarHBondContact O-N 2.87Å; L539-L542 CarbonylContact O-C 3.58Å; L539-L542 PolarHBondContact O-N 2.89Å; A540-L542 VanDerWaalsContact C-N 3.34Å; L542-T545 VanDerWaalsContact CA-CG2 3.41Å; L542-T545 WeakPolarHBondContact O-CB 3.23Å; L542-T545 VanDerWaalsContact O-CG2 3.26Å; L542-T545 WeakPolarHBondContact O-CG2 3.47Å; L542-T545 PolarHBondContact O-N 3.4Å; L542-T545 PolarHBondContact O-OG1 2.94Å
543K65.8Low64Low166 Ų166101.7 Ų101.772%0.72256%0.561SS**Hα-helixtrans-73.4-35.2175.5-174.3174.3-177.9177.90111.2L539 A540 T545L539-K543 VanDerWaalsContact O-CB 3.26Å; L539-K543 WeakPolarHBondContact O-CB 3.3Å; L539-K543 PolarHBondContact O-N 2.77Å; A540-K543 PolarHBondContact O-N 2.88Å; K543-T545 PolarHBondContact O-N 3.2Å; K543-T545 VanDerWaalsContact O-N 3.12Å
544N58.3Low61.2Low73 Ų73101.4 Ų101.439%0.3958%0.575SS.*THydrogen-bonded Turntrans-71.815.2169.3-80.70.5000112.8K145 E146 A540 G541K145-N544 HydrophobicContact CG-CB 4.07Å; E146-N544 WeakPolarHBondContact CA-O 3.43Å; E146-N544 VanDerWaalsContact CB-O 3.32Å; E146-N544 WeakPolarHBondContact CB-O 3.45Å; E146-N544 WeakPolarHBondContact CG-O 3.22Å; E146-N544 PolarHBondContact N-O 2.78Å; A540-N544 VanDerWaalsContact O-CB 3.31Å; A540-N544 WeakPolarHBondContact O-CB 3.4Å; A540-N544 PolarHBondContact O-N 2.7Å; G541-N544 CarbonylContact O-C 3.54Å; G541-N544 PolarHBondContact O-N 3.15Å
545T58.2Low58.4Low14 Ų14101.7 Ų101.79%0.08659%0.586CS.*THydrogen-bonded Turntrans-118.2-14.4-179.985.70000116.7E146 K147 P148 G541 L542 K543 S547E146-T545 VanDerWaalsContact OE2-C 3.25Å; E146-T545 VanDerWaalsContact OE2-CA 3.27Å; E146-T545 WeakPolarHBondContact OE2-CA 3.46Å; E146-T545 PolarHBondContact OE2-N 3.21Å; K147-T545 HydrophobicContact CB-CG2 3.17Å; K147-T545 VanDerWaalsContact N-CG2 3.26Å; K147-T545 WeakPolarHBondContact O-CB 3.48Å; K147-T545 VanDerWaalsContact O-CG2 3.27Å; K147-T545 WeakPolarHBondContact O-CG2 3.37Å; P148-T545 HydrophobicContact CG-CG2 4.34Å; G541-T545 WeakPolarHBondContact O-CG2 3.29Å; L542-T545 VanDerWaalsContact CA-CG2 3.41Å; L542-T545 WeakPolarHBondContact O-CB 3.23Å; L542-T545 VanDerWaalsContact O-CG2 3.26Å; L542-T545 WeakPolarHBondContact O-CG2 3.47Å; L542-T545 PolarHBondContact O-N 3.4Å; L542-T545 PolarHBondContact O-OG1 2.94Å; K543-T545 PolarHBondContact O-N 3.2Å; K543-T545 VanDerWaalsContact O-N 3.12Å; T545-S547 VanDerWaalsContact C-N 3.34Å
546L54.4Low55.7Low154 Ų154104.5 Ų104.581%0.80660%0.601SS**SBendtrans-103.210.6-173.7-128.573.4000110.4E146E146-L546 PolarHBondContact OE2-N 3.15Å
547S47Very low52.8Low57 Ų57103.3 Ų103.340%0.39960%0.603SS.*SBendtrans-131.2-2.6-153.873.70000114.2K145 E146 T545K145-S547 WeakPolarHBondContact CE-OG 3.36Å; K145-S547 PolarHBondContact NZ-O 3.07Å; K145-S547 PolarHBondContact NZ-OG 2.68Å; E146-S547 PolarHBondContact OE1-N 2.92Å; E146-S547 WeakPolarHBondContact OE2-CA 3.46Å; E146-S547 PolarHBondContact OE2-N 2.69Å; E146-S547 PolarHBondContact OE2-OG 3.01Å; T545-S547 VanDerWaalsContact C-N 3.34Å
548N46.6Very low50.3Low104 Ų104104.9 Ų104.956%0.55661%0.612SS**SBendtrans-108.8-17.9162.6-75.1-8.3000112.6K145 E146 G550K145-N548 VanDerWaalsContact CD-CG 3.47Å; K145-N548 WeakPolarHBondContact CD-ND2 3.42Å; K145-N548 WeakPolarHBondContact CD-OD1 3.29Å; K145-N548 PolarHBondContact NZ-OD1 3.36Å; E146-N548 HydrophobicContact CG-CB 4.01Å; E146-N548 WeakPolarHBondContact OE1-CA 3.45Å; E146-N548 WeakPolarHBondContact OE1-CB 3.28Å; E146-N548 PolarHBondContact OE1-N 3.48Å; E146-N548 PolarHBondContact OE2-N 2.98Å; N548-G550 PolarHBondContact O-N 3.17Å
549K48Very low47.9Very low203 Ų203109.5 Ų109.588%0.88363%0.632SS**SBendtrans-85.658.1-177.2-148.4171.4-171.1176.10113
550G33.2Very low45.8Very low73 Ų73110.1 Ų110.175%0.75365%0.645SS**  trans-151.239.9-168.100000116.9N548N548-G550 PolarHBondContact O-N 3.17Å
551S38.2Very low44.2Very low115 Ų115116.5 Ų116.580%0.80467%0.665SS**  trans-167102.6156.8-171.10000113.5
552S34.4Very low43Very low127 Ų127121.5 Ų121.589%0.88869%0.694SS**  trans168.5151.2133.6420000109.8
553Q32.9Very low41.7Very low192 Ų192125.4 Ų125.490%0.89772%0.715SS**  trans-124.2153.1-154.8-162.6-174.74.400112.1
554A33.3Very low40.3Very low88 Ų88122.9 Ų122.973%0.72772%0.718SS**  trans93.9148.6150.300000121.4
555S31.9Very low39.5Very low112 Ų112124.2 Ų124.278%0.78373%0.734SS**  trans85.683.2155.9-62.30000121.1
556L32.9Very low38.9Very low161 Ų161129.1 Ų129.184%0.84377%0.768SS**  60144.8107.6-154.473.6000121.1
557T29.8Very low38.3Very low108 Ų108126.7 Ų126.766%0.66376%0.764SS**  trans94105150.140000120.3
558Q32.6Very low38.1Very low163 Ų163131.3 Ų131.376%0.76278%0.784SS**  trans69.9124.5134.8-83.6-172.9-7.900123.9
559L35.8Very low37.9Very low143 Ų143132.2 Ų132.275%0.74980%0.799SS**  trans80.2136.1131.8-69.5166.4000122
560S35.4Very low37.4Very low114 Ų114125.1 Ų125.180%0.79778%0.784SS**  trans71126.2155.230.40000120.9
561H39.7Very low38.4Very low188 Ų188126 Ų12687%0.8778%0.784SS**  trans-58.9152.6159.3-50.3110.4000111
562P48.5Very low39.3Very low129 Ų129122.8 Ų122.884%0.83877%0.768SS**  -149.9-170.778.239.2-18.5000116.5
563N38.1Very low40.6Very low149 Ų149119.6 Ų119.680%0.79774%0.742SS**  trans-50156.7-177.8-79-6.4000118.7
564S38.1Very low42.8Very low114 Ų114116.2 Ų116.280%0.79773%0.726SS**  trans71.1143.7148.9-66.60000118
565S40.7Very low45.2Very low101 Ų101113.9 Ų113.971%0.70671%0.71SS**  cis-171.1158.37.138.30000113.4
566S44.9Very low47.9Very low117 Ų117115.1 Ų115.182%0.81870%0.703SS**  trans71146.1157.678.80000117.9
567S43.3Very low50.6Low103 Ų103110.7 Ų110.772%0.7268%0.68SS**  cis-150.9-177.115.662.50000110.2
568N42.3Very low53.6Low153 Ų153109.4 Ų109.482%0.81867%0.668SS**  cis-156.3-38.611.3-153.930.2000116.9
569S41.8Very low56.5Low124 Ų124105.2 Ų105.287%0.86766%0.657SS**SBendtrans-86.1132.1-166.350.70000113.5
570G38.8Very low59.3Low54 Ų54104.8 Ų104.856%0.55765%0.645SS**  cis-148.3151.2-3.100000112.9G572G570-G572 PolarHBondContact O-N 3.5Å
571A53.2Low62.1Low91 Ų91103.2 Ų103.275%0.75263%0.627SS**SBendtrans-81-3.2-16600000116.2
572G56Low64.8Low47 Ų47100.4 Ų100.449%0.48561%0.612SS.*Hα-helixtrans-69.9-48.2179.400000113G570 Q574 G575 E576G570-G572 PolarHBondContact O-N 3.5Å; G572-Q574 VanDerWaalsContact C-N 3.28Å; G572-Q574 PolarHBondContact O-N 3.35Å; G572-G575 WeakPolarHBondContact O-CA 3.3Å; G572-G575 PolarHBondContact O-N 3.34Å; G572-E576 PolarHBondContact O-N 3.28Å
573D63.6Low67Low61 Ų6197.9 Ų97.933%0.32660%0.598SS.*Hα-helixtrans-56.1-40.3-177.3-167.921.9000112.1G575 E576 I577D573-G575 VanDerWaalsContact C-N 3.31Å; D573-G575 PolarHBondContact O-N 2.86Å; D573-E576 PolarHBondContact O-N 3.45Å; D573-I577 WeakPolarHBondContact O-CB 3.4Å; D573-I577 WeakPolarHBondContact O-CD1 3.41Å; D573-I577 VanDerWaalsContact O-CG1 3.22Å; D573-I577 WeakPolarHBondContact O-CG1 3.29Å; D573-I577 PolarHBondContact O-N 2.74Å
574Q77.8Confident69.7Low121 Ų12194.5 Ų94.557%0.56558%0.579SS**Hα-helixtrans-60.8-36.5174.6-70.7-69.4-26.300113.2G572 I578G572-Q574 VanDerWaalsContact C-N 3.28Å; G572-Q574 PolarHBondContact O-N 3.35Å; Q574-I578 WeakPolarHBondContact O-CB 3.23Å; Q574-I578 WeakPolarHBondContact O-CD1 3.46Å; Q574-I578 WeakPolarHBondContact O-CG1 3.16Å; Q574-I578 PolarHBondContact O-N 3.23Å
575G84.8Confident72.5Confident38 Ų3894.2 Ų94.239%0.39257%0.565SS.*Hα-helixtrans-70.5-37.7177.200000112.8G572 D573 S579G572-G575 WeakPolarHBondContact O-CA 3.3Å; G572-G575 PolarHBondContact O-N 3.34Å; D573-G575 VanDerWaalsContact C-N 3.31Å; D573-G575 PolarHBondContact O-N 2.86Å; G575-S579 WeakPolarHBondContact O-CB 3.36Å; G575-S579 PolarHBondContact O-N 2.81Å; G575-S579 PolarHBondContact O-OG 3.01Å
576E87.6Confident75.1Confident139 Ų13995.3 Ų95.365%0.6556%0.562SS**Hα-helixtrans-69.3-44.8176.2-68.5175-151.500111.1G572 D573 I578 S579 R580G572-E576 PolarHBondContact O-N 3.28Å; D573-E576 PolarHBondContact O-N 3.45Å; E576-I578 PolarHBondContact O-N 2.74Å; E576-S579 PolarHBondContact O-N 3.15Å; E576-R580 WeakPolarHBondContact O-CB 3.31Å; E576-R580 PolarHBondContact O-N 2.75Å
577I90.1Very high77.5Confident68 Ų6894.7 Ų94.735%0.34955%0.547SS..Hα-helixtrans-57.6-48.9173.5-68.6163.4000111.1D573 S579 R580 I581D573-I577 WeakPolarHBondContact O-CB 3.4Å; D573-I577 WeakPolarHBondContact O-CD1 3.41Å; D573-I577 VanDerWaalsContact O-CG1 3.22Å; D573-I577 WeakPolarHBondContact O-CG1 3.29Å; D573-I577 PolarHBondContact O-N 2.74Å; I577-S579 VanDerWaalsContact C-N 3.28Å; I577-S579 PolarHBondContact O-N 3.24Å; I577-R580 PolarHBondContact O-N 3.34Å; I577-I581 HydrophobicContact CG2-CD1 3.82Å; I577-I581 VanDerWaalsContact O-CG1 3.29Å; I577-I581 WeakPolarHBondContact O-CG1 3.44Å; I577-I581 PolarHBondContact O-N 2.86Å
578I91.6Very high80Confident80 Ų8093.4 Ų93.441%0.4153%0.532SS..Hα-helixtrans-63-35.4177.9-70.3165.3000111.6Q574 E576 K582Q574-I578 WeakPolarHBondContact O-CB 3.23Å; Q574-I578 WeakPolarHBondContact O-CD1 3.46Å; Q574-I578 WeakPolarHBondContact O-CG1 3.16Å; Q574-I578 PolarHBondContact O-N 3.23Å; E576-I578 PolarHBondContact O-N 2.74Å; I578-K582 HydrophobicContact CG2-CD 4.33Å; I578-K582 WeakPolarHBondContact O-CG 3.27Å; I578-K582 PolarHBondContact O-N 2.92Å; I578-K582 VanDerWaalsContact O-N 3.11Å
579S93.5Very high82.6Confident76 Ų7691.5 Ų91.553%0.53152%0.518SS..Hα-helixtrans-70.4-41.3177.4-58.30000111.7G575 E576 I577 K582 S583G575-S579 WeakPolarHBondContact O-CB 3.36Å; G575-S579 PolarHBondContact O-N 2.81Å; G575-S579 PolarHBondContact O-OG 3.01Å; E576-S579 PolarHBondContact O-N 3.15Å; I577-S579 VanDerWaalsContact C-N 3.28Å; I577-S579 PolarHBondContact O-N 3.24Å; S579-K582 PolarHBondContact O-N 3.47Å; S579-S583 PolarHBondContact O-N 2.68Å
580R94.8Very high85.2Confident133 Ų13388.5 Ų88.550%0.50250%0.497SS..Hα-helixtrans-63.2-42.1174.5-170.2171.5-174.8135.511.2111.7Q154 E576 I577 S583 L584Q154-R580 VanDerWaalsContact OE1-CZ 3.24Å; E576-R580 WeakPolarHBondContact O-CB 3.31Å; E576-R580 PolarHBondContact O-N 2.75Å; I577-R580 PolarHBondContact O-N 3.34Å; R580-S583 PolarHBondContact O-N 3.26Å; R580-L584 HydrophobicContact CG-CD1 4.16Å; R580-L584 WeakPolarHBondContact O-CG 3.3Å; R580-L584 PolarHBondContact O-N 2.91Å
581I95.3Very high88Confident82 Ų8290.2 Ų90.242%0.42149%0.493SS..Hα-helixtrans-59.2-50.2175-70164.9000110.7I577 S583 L584 E585I577-I581 HydrophobicContact CG2-CD1 3.82Å; I577-I581 VanDerWaalsContact O-CG1 3.29Å; I577-I581 WeakPolarHBondContact O-CG1 3.44Å; I577-I581 PolarHBondContact O-N 2.86Å; I581-S583 VanDerWaalsContact C-N 3.3Å; I581-S583 PolarHBondContact O-N 3.5Å; I581-L584 PolarHBondContact O-N 3.32Å; I581-L584 VanDerWaalsContact O-N 3.17Å; I581-E585 HydrophobicContact CG2-CG 4.33Å; I581-E585 WeakPolarHBondContact O-CG 3.47Å; I581-E585 PolarHBondContact O-N 3.47Å
582K95.4Very high90.1Very high129 Ų12993.3 Ų93.356%0.56149%0.486SS*.Hα-helixtrans-61.1-36.6178-72.8172.1-178.8176.20113.3I578 S579 E585 L586I578-K582 HydrophobicContact CG2-CD 4.33Å; I578-K582 WeakPolarHBondContact O-CG 3.27Å; I578-K582 PolarHBondContact O-N 2.92Å; I578-K582 VanDerWaalsContact O-N 3.11Å; S579-K582 PolarHBondContact O-N 3.47Å; K582-E585 PolarHBondContact O-N 3.14Å; K582-L586 PolarHBondContact O-N 2.82Å; K582-L586 VanDerWaalsContact O-N 3.09Å
583S95.8Very high92Very high76 Ų7697.4 Ų97.453%0.53149%0.491SS..Hα-helixtrans-64.6-46.3175-164.20000111.2S579 R580 I581 E585 L586 E587S579-S583 PolarHBondContact O-N 2.68Å; R580-S583 PolarHBondContact O-N 3.26Å; I581-S583 VanDerWaalsContact C-N 3.3Å; I581-S583 PolarHBondContact O-N 3.5Å; S583-E585 PolarHBondContact O-N 3.48Å; S583-L586 PolarHBondContact O-N 2.91Å; S583-E587 WeakPolarHBondContact O-CB 3.37Å; S583-E587 PolarHBondContact O-N 2.9Å
584L94.8Very high93.6Very high78 Ų7897.9 Ų97.941%0.40850%0.495SS..Hα-helixtrans-66-35.2177-69.5168.7000112.3R580 I581 L586 E587 N588R580-L584 HydrophobicContact CG-CD1 4.16Å; R580-L584 WeakPolarHBondContact O-CG 3.3Å; R580-L584 PolarHBondContact O-N 2.91Å; I581-L584 PolarHBondContact O-N 3.32Å; I581-L584 VanDerWaalsContact O-N 3.17Å; L584-L586 VanDerWaalsContact C-N 3.34Å; L584-E587 PolarHBondContact O-N 3.17Å; L584-N588 WeakPolarHBondContact O-CB 3.19Å; L584-N588 PolarHBondContact O-N 2.91Å; L584-N588 PolarHBondContact O-ND2 2.78Å
585E95.9Very high94.6Very high108 Ų10896.2 Ų96.251%0.50549%0.493SS..Hα-helixtrans-64.7-37173.5-74.9172.6171.100112.2I581 K582 S583 Q589I581-E585 HydrophobicContact CG2-CG 4.33Å; I581-E585 WeakPolarHBondContact O-CG 3.47Å; I581-E585 PolarHBondContact O-N 3.47Å; K582-E585 PolarHBondContact O-N 3.14Å; S583-E585 PolarHBondContact O-N 3.48Å; E585-Q589 VanDerWaalsContact O-CG 3.31Å; E585-Q589 WeakPolarHBondContact O-CG 3.35Å; E585-Q589 PolarHBondContact O-N 2.9Å; E585-Q589 VanDerWaalsContact O-N 3.14Å; E585-Q589 PolarHBondContact O-NE2 2.8Å
586L96.6Very high95.1Very high123 Ų12399 Ų9964%0.64450%0.499SS*.Hα-helixtrans-72.6-42.4176-170.1155.4000111.2K582 S583 L584 Q589 S590K582-L586 PolarHBondContact O-N 2.82Å; K582-L586 VanDerWaalsContact O-N 3.09Å; S583-L586 PolarHBondContact O-N 2.91Å; L584-L586 VanDerWaalsContact C-N 3.34Å; L586-Q589 WeakPolarHBondContact O-CB 3.23Å; L586-Q589 PolarHBondContact O-N 2.85Å; L586-S590 PolarHBondContact O-N 3.2Å
587E94.6Very high95.6Very high104 Ų10497.8 Ų97.849%0.48650%0.498SS..Hα-helixtrans-61.9-46.2175.1-172.6179.1178.500111.4S583 L584 Q589 S590 L591S583-E587 WeakPolarHBondContact O-CB 3.37Å; S583-E587 PolarHBondContact O-N 2.9Å; L584-E587 PolarHBondContact O-N 3.17Å; E587-Q589 VanDerWaalsContact C-N 3.32Å; E587-Q589 PolarHBondContact O-N 2.75Å; E587-S590 CarbonylContact O-C 3.58Å; E587-S590 WeakPolarHBondContact O-CA 3.42Å; E587-S590 VanDerWaalsContact O-CB 3.23Å; E587-S590 WeakPolarHBondContact O-CB 3.32Å; E587-S590 PolarHBondContact O-N 2.8Å; E587-L591 HydrophobicContact CG-CD1 4.42Å; E587-L591 WeakPolarHBondContact O-CG 3.16Å; E587-L591 PolarHBondContact O-N 3.36Å
588N96Very high95.8Very high77 Ų7799.4 Ų99.441%0.41251%0.506SS..Hα-helixtrans-57.9-43.3173.4-84.8-78.4000111.7L584 S590 L591 Y592L584-N588 WeakPolarHBondContact O-CB 3.19Å; L584-N588 PolarHBondContact O-N 2.91Å; L584-N588 PolarHBondContact O-ND2 2.78Å; N588-S590 VanDerWaalsContact C-N 3.28Å; N588-S590 PolarHBondContact O-N 3.35Å; N588-L591 PolarHBondContact O-N 3.14Å; N588-Y592 HydrophobicContact CB-CE2 4.37Å; N588-Y592 WeakPolarHBondContact O-CD2 3.27Å; N588-Y592 PolarHBondContact O-N 3.35Å
589Q96.6Very high96.1Very high113 Ų113104 Ų10453%0.52852%0.518SS..Hα-helixtrans-63.3-32.4173.6-76.217168.100113.3E585 L586 E587 K593E585-Q589 VanDerWaalsContact O-CG 3.31Å; E585-Q589 WeakPolarHBondContact O-CG 3.35Å; E585-Q589 PolarHBondContact O-N 2.9Å; E585-Q589 VanDerWaalsContact O-N 3.14Å; E585-Q589 PolarHBondContact O-NE2 2.8Å; L586-Q589 WeakPolarHBondContact O-CB 3.23Å; L586-Q589 PolarHBondContact O-N 2.85Å; E587-Q589 VanDerWaalsContact C-N 3.32Å; E587-Q589 PolarHBondContact O-N 2.75Å; Q589-K593 VanDerWaalsContact O-CG 3.32Å; Q589-K593 WeakPolarHBondContact O-CG 3.48Å; Q589-K593 PolarHBondContact O-N 2.93Å
590S96.6Very high96.2Very high60 Ų60103.2 Ų103.242%0.4252%0.517SS..Hα-helixtrans-66.7-48.3172.3-165.40000110.9L586 E587 N588 Y592 K593 V594L586-S590 PolarHBondContact O-N 3.2Å; E587-S590 CarbonylContact O-C 3.58Å; E587-S590 WeakPolarHBondContact O-CA 3.42Å; E587-S590 VanDerWaalsContact O-CB 3.23Å; E587-S590 WeakPolarHBondContact O-CB 3.32Å; E587-S590 PolarHBondContact O-N 2.8Å; N588-S590 VanDerWaalsContact C-N 3.28Å; N588-S590 PolarHBondContact O-N 3.35Å; S590-Y592 PolarHBondContact O-N 2.86Å; S590-K593 WeakPolarHBondContact O-CB 3.28Å; S590-K593 PolarHBondContact O-N 3.4Å; S590-K593 VanDerWaalsContact O-N 3.1Å; S590-V594 WeakPolarHBondContact O-CG2 3.49Å; S590-V594 PolarHBondContact O-N 2.81Å
591L96.9Very high96.2Very high91 Ų9199.1 Ų99.148%0.47651%0.511SS..Hα-helixtrans-60.1-42.6177.4-67.9172.6000112E587 N588 K593 V594 V595E587-L591 HydrophobicContact CG-CD1 4.42Å; E587-L591 WeakPolarHBondContact O-CG 3.16Å; E587-L591 PolarHBondContact O-N 3.36Å; N588-L591 PolarHBondContact O-N 3.14Å; L591-K593 VanDerWaalsContact C-N 3.34Å; L591-K593 PolarHBondContact O-N 3.45Å; L591-V594 PolarHBondContact O-N 3.46Å; L591-V595 WeakPolarHBondContact O-CG2 3.17Å; L591-V595 PolarHBondContact O-N 2.87Å
592Y96.8Very high96.3Very high155 Ų155100.7 Ų100.761%0.60852%0.52SS*.Hα-helixtrans-59.3-42.4173.4-74.9-60.3000112.2N588 S590 V595 D596N588-Y592 HydrophobicContact CB-CE2 4.37Å; N588-Y592 WeakPolarHBondContact O-CD2 3.27Å; N588-Y592 PolarHBondContact O-N 3.35Å; S590-Y592 PolarHBondContact O-N 2.86Å; Y592-V595 PolarHBondContact O-N 2.66Å; Y592-D596 PolarHBondContact O-N 3.26Å
593K97.2Very high96.2Very high134 Ų13497.1 Ų97.158%0.58351%0.511SS*.Hα-helixtrans-64.7-38.6174.8-69.5167.2-175.1173.40112.6Q589 S590 L591 D596 N597Q589-K593 VanDerWaalsContact O-CG 3.32Å; Q589-K593 WeakPolarHBondContact O-CG 3.48Å; Q589-K593 PolarHBondContact O-N 2.93Å; S590-K593 WeakPolarHBondContact O-CB 3.28Å; S590-K593 PolarHBondContact O-N 3.4Å; S590-K593 VanDerWaalsContact O-N 3.1Å; L591-K593 VanDerWaalsContact C-N 3.34Å; L591-K593 PolarHBondContact O-N 3.45Å; K593-D596 PolarHBondContact O-N 3.29Å; K593-N597 WeakPolarHBondContact O-CB 3.35Å; K593-N597 PolarHBondContact O-N 3.09Å; K593-N597 PolarHBondContact O-ND2 2.92Å
594V97.6Very high96.2Very high70 Ų70100.7 Ų100.742%0.42452%0.517SS..Hα-helixtrans-64.4-43.5174.8173.20000110.4S590 L591 D596 N597 L598S590-V594 WeakPolarHBondContact O-CG2 3.49Å; S590-V594 PolarHBondContact O-N 2.81Å; L591-V594 PolarHBondContact O-N 3.46Å; V594-D596 PolarHBondContact O-N 2.81Å; V594-N597 PolarHBondContact O-N 2.87Å; V594-L598 HydrophobicContact CG1-CD1 4.01Å; V594-L598 HydrophobicContact CG1-CG 4.37Å; V594-L598 WeakPolarHBondContact O-CB 3.46Å; V594-L598 VanDerWaalsContact O-CG 3.3Å; V594-L598 WeakPolarHBondContact O-CG 3.01Å; V594-L598 PolarHBondContact O-N 3.23Å
595V97.4Very high96.2Very high86 Ų86101.1 Ų101.152%0.52152%0.519SS..Hα-helixtrans-62-42.4175.11700000111.6L591 Y592 L598 R599L591-V595 WeakPolarHBondContact O-CG2 3.17Å; L591-V595 PolarHBondContact O-N 2.87Å; Y592-V595 PolarHBondContact O-N 2.66Å; V595-L598 PolarHBondContact O-N 3.48Å; V595-R599 VanDerWaalsContact O-CB 3.28Å; V595-R599 WeakPolarHBondContact O-CB 3.33Å; V595-R599 PolarHBondContact O-N 3.28Å
596D96.9Very high96.2Very high96 Ų96102.5 Ų102.551%0.51353%0.526SS..Hα-helixtrans-65.1-40.4175.3-76.5-28.5000112.2Y592 K593 V594 R599 A600Y592-D596 PolarHBondContact O-N 3.26Å; K593-D596 PolarHBondContact O-N 3.29Å; V594-D596 PolarHBondContact O-N 2.81Å; D596-R599 PolarHBondContact O-N 2.92Å; D596-A600 WeakPolarHBondContact O-CB 3.19Å; D596-A600 PolarHBondContact O-N 2.73Å
597N96.4Very high95.8Very high115 Ų115100.7 Ų100.762%0.61552%0.522SS*.Hα-helixtrans-64-43.6174.5-73.9-24.5000111.9K593 V594 A600 A601K593-N597 WeakPolarHBondContact O-CB 3.35Å; K593-N597 PolarHBondContact O-N 3.09Å; K593-N597 PolarHBondContact O-ND2 2.92Å; V594-N597 PolarHBondContact O-N 2.87Å; N597-A600 PolarHBondContact O-N 3.3Å; N597-A601 WeakPolarHBondContact O-CB 3.39Å; N597-A601 PolarHBondContact O-N 2.83Å
598L95.7Very high95.8Very high102 Ų102103.1 Ų103.153%0.53453%0.527SS..Hα-helixtrans-64-41.7174.9-72.4172.5000111.2V594 V595 A600 A601 L602V594-L598 HydrophobicContact CG1-CD1 4.01Å; V594-L598 HydrophobicContact CG1-CG 4.37Å; V594-L598 WeakPolarHBondContact O-CB 3.46Å; V594-L598 VanDerWaalsContact O-CG 3.3Å; V594-L598 WeakPolarHBondContact O-CG 3.01Å; V594-L598 PolarHBondContact O-N 3.23Å; V595-L598 PolarHBondContact O-N 3.48Å; L598-A600 VanDerWaalsContact C-N 3.34Å; L598-A600 PolarHBondContact O-N 3.35Å; L598-A601 PolarHBondContact O-N 3.2Å; L598-L602 WeakPolarHBondContact O-CB 3.34Å; L598-L602 WeakPolarHBondContact O-CG 3.21Å; L598-L602 PolarHBondContact O-N 2.78Å
599R96.9Very high95.5Very high176 Ų176102.9 Ų102.966%0.66453%0.528SS*.Hα-helixtrans-61.4-42174.5-171.7177.9-172.4164.85.3111.7V595 D596 L602 S603V595-R599 VanDerWaalsContact O-CB 3.28Å; V595-R599 WeakPolarHBondContact O-CB 3.33Å; V595-R599 PolarHBondContact O-N 3.28Å; D596-R599 PolarHBondContact O-N 2.92Å; R599-L602 PolarHBondContact O-N 3.31Å; R599-S603 PolarHBondContact O-N 3.46Å; R599-S603 PolarHBondContact O-OG 3.46Å; R599-S603 VanDerWaalsContact O-OG 3.09Å
600A96.1Very high95.1Very high60 Ų6098.9 Ų98.950%0.49651%0.514SS..Hα-helixtrans-65.9-39174.700000112.4D596 N597 L598 S603 K604D596-A600 WeakPolarHBondContact O-CB 3.19Å; D596-A600 PolarHBondContact O-N 2.73Å; N597-A600 PolarHBondContact O-N 3.3Å; L598-A600 VanDerWaalsContact C-N 3.34Å; L598-A600 PolarHBondContact O-N 3.35Å; A600-S603 PolarHBondContact O-N 3.4Å; A600-K604 WeakPolarHBondContact O-CB 3.37Å; A600-K604 PolarHBondContact O-N 3Å
601A95.1Very high94.6Very high47 Ų47100.6 Ų100.639%0.38852%0.522SS..Hα-helixtrans-64.1-44.6174.400000111.7N597 L598 K604 L605N597-A601 WeakPolarHBondContact O-CB 3.39Å; N597-A601 PolarHBondContact O-N 2.83Å; L598-A601 PolarHBondContact O-N 3.2Å; A601-K604 WeakPolarHBondContact O-CB 3.31Å; A601-K604 PolarHBondContact O-N 3.32Å; A601-L605 WeakPolarHBondContact O-CG 3.31Å; A601-L605 PolarHBondContact O-N 3.43Å
602L96.1Very high93.6Very high115 Ų115101.6 Ų101.660%0.60253%0.527SS*.Hα-helixtrans-61.1-46.7173.8-72172.9000111.6L598 R599 K604 L605 E606L598-L602 WeakPolarHBondContact O-CB 3.34Å; L598-L602 WeakPolarHBondContact O-CG 3.21Å; L598-L602 PolarHBondContact O-N 2.78Å; R599-L602 PolarHBondContact O-N 3.31Å; L602-K604 VanDerWaalsContact C-N 3.27Å; L602-K604 PolarHBondContact O-N 2.88Å; L602-L605 PolarHBondContact O-N 2.63Å; L602-L605 VanDerWaalsContact O-N 3.13Å; L602-E606 WeakPolarHBondContact O-CB 3.32Å; L602-E606 PolarHBondContact O-N 3.47Å
603S95.3Very high93Very high54 Ų54101.4 Ų101.438%0.37853%0.532SS..Hα-helixtrans-61.3-33.8174.9-62.30000112.8R599 A600 C607R599-S603 PolarHBondContact O-N 3.46Å; R599-S603 PolarHBondContact O-OG 3.46Å; R599-S603 VanDerWaalsContact O-OG 3.09Å; A600-S603 PolarHBondContact O-N 3.4Å; S603-C607 WeakPolarHBondContact O-CB 3.39Å; S603-C607 PolarHBondContact O-N 3.41Å; S603-C607 PolarHBondContact O-SG 2.85Å
604K95.7Very high92.1Very high150 Ų150102.5 Ų102.565%0.65254%0.537SS*.Hα-helixtrans-70.4-37.5174.5-174.6-179.7179.1-175.80112A600 A601 L602 R608A600-K604 WeakPolarHBondContact O-CB 3.37Å; A600-K604 PolarHBondContact O-N 3Å; A601-K604 WeakPolarHBondContact O-CB 3.31Å; A601-K604 PolarHBondContact O-N 3.32Å; L602-K604 VanDerWaalsContact C-N 3.27Å; L602-K604 PolarHBondContact O-N 2.88Å; K604-R608 WeakPolarHBondContact O-CG 3.46Å; K604-R608 PolarHBondContact O-N 3.34Å; K604-R608 VanDerWaalsContact O-N 3.11Å
605L93.5Very high90.1Very high87 Ų87108.7 Ų108.746%0.45555%0.553SS.*Hα-helixtrans-68-46.3173.5-72.5169000111.2A601 L602 C607 R608 V609A601-L605 WeakPolarHBondContact O-CG 3.31Å; A601-L605 PolarHBondContact O-N 3.43Å; L602-L605 PolarHBondContact O-N 2.63Å; L602-L605 VanDerWaalsContact O-N 3.13Å; L605-C607 VanDerWaalsContact C-N 3.3Å; L605-C607 PolarHBondContact O-N 2.96Å; L605-R608 CarbonylContact O-C 3.57Å; L605-R608 WeakPolarHBondContact O-CA 3.36Å; L605-R608 WeakPolarHBondContact O-CB 3.42Å; L605-R608 PolarHBondContact O-N 2.9Å; L605-V609 WeakPolarHBondContact O-CG2 3.3Å; L605-V609 PolarHBondContact O-N 3.5Å
606E95.3Very high88Confident137 Ų137110.6 Ų110.664%0.6457%0.567SS**Hα-helixtrans-55.9-43.5174-172.8-178.7-173.800111.3L602 R608 V609 A610L602-E606 WeakPolarHBondContact O-CB 3.32Å; L602-E606 PolarHBondContact O-N 3.47Å; E606-R608 PolarHBondContact O-N 2.87Å; E606-V609 PolarHBondContact O-N 3.44Å; E606-A610 VanDerWaalsContact O-CB 3.22Å; E606-A610 WeakPolarHBondContact O-CB 3.33Å; E606-A610 PolarHBondContact O-N 3.09Å
607C89.6Confident85.5Confident85 Ų85111 Ų11157%0.57458%0.584SS**Hα-helixtrans-62.7-36.9172.8-70.70000113.3S603 L605 V611S603-C607 WeakPolarHBondContact O-CB 3.39Å; S603-C607 PolarHBondContact O-N 3.41Å; S603-C607 PolarHBondContact O-SG 2.85Å; L605-C607 VanDerWaalsContact C-N 3.3Å; L605-C607 PolarHBondContact O-N 2.96Å; C607-V611 VanDerWaalsContact O-CG2 3.28Å; C607-V611 WeakPolarHBondContact O-CG2 3.38Å; C607-V611 PolarHBondContact O-N 2.81Å
608R93.4Very high82.5Confident156 Ų156110.8 Ų110.859%0.58959%0.591SS**Hα-helixtrans-68.7-47.2176-74.7172.566-173.11.5111.2K604 L605 E606 V611 L612K604-R608 WeakPolarHBondContact O-CG 3.46Å; K604-R608 PolarHBondContact O-N 3.34Å; K604-R608 VanDerWaalsContact O-N 3.11Å; L605-R608 CarbonylContact O-C 3.57Å; L605-R608 WeakPolarHBondContact O-CA 3.36Å; L605-R608 WeakPolarHBondContact O-CB 3.42Å; L605-R608 PolarHBondContact O-N 2.9Å; E606-R608 PolarHBondContact O-N 2.87Å; R608-V611 WeakPolarHBondContact O-CB 3.42Å; R608-V611 PolarHBondContact O-N 3.35Å; R608-V611 VanDerWaalsContact O-N 3.12Å; R608-L612 WeakPolarHBondContact O-CG 3.48Å; R608-L612 PolarHBondContact O-N 3.5Å
609V90.8Very high79.7Confident72 Ų72112.7 Ų112.744%0.43661%0.606SS.*Hα-helixtrans-59-49.2176.9172.70000110L605 E606 V611 L612 E613L605-V609 WeakPolarHBondContact O-CG2 3.3Å; L605-V609 PolarHBondContact O-N 3.5Å; E606-V609 PolarHBondContact O-N 3.44Å; V609-V611 PolarHBondContact O-N 3.2Å; V609-L612 PolarHBondContact O-N 3.4Å; V609-E613 HydrophobicContact CG1-CG 4.09Å; V609-E613 WeakPolarHBondContact CG1-OE1 3.18Å; V609-E613 WeakPolarHBondContact O-CG 3.38Å; V609-E613 PolarHBondContact O-N 3.42Å
610A88.8Confident76.6Confident28 Ų28110.6 Ų110.623%0.23161%0.613CS.*Hα-helixtrans-65.3-11.8177.800000115E606 K614E606-A610 VanDerWaalsContact O-CB 3.22Å; E606-A610 WeakPolarHBondContact O-CB 3.33Å; E606-A610 PolarHBondContact O-N 3.09Å; A610-K614 WeakPolarHBondContact O-CD 3.39Å; A610-K614 VanDerWaalsContact O-CG 3.29Å; A610-K614 WeakPolarHBondContact O-CG 3.29Å; A610-K614 PolarHBondContact O-NZ 2.82Å
611V85.9Confident74.8Confident97 Ų97113.6 Ų113.659%0.58863%0.628SS**Hα-helixtrans-90.4-39.4169.6165.40000111.2C607 R608 V609 K614C607-V611 VanDerWaalsContact O-CG2 3.28Å; C607-V611 WeakPolarHBondContact O-CG2 3.38Å; C607-V611 PolarHBondContact O-N 2.81Å; R608-V611 WeakPolarHBondContact O-CB 3.42Å; R608-V611 PolarHBondContact O-N 3.35Å; R608-V611 VanDerWaalsContact O-N 3.12Å; V609-V611 PolarHBondContact O-N 3.2Å; V611-K614 PolarHBondContact O-N 2.95Å
612L74.6Confident71.4Confident111 Ų111115.9 Ų115.958%0.58165%0.647SS**Hα-helixtrans-64.5-48174.5-67.4171.4000111.1R608 V609 K614 R615R608-L612 WeakPolarHBondContact O-CG 3.48Å; R608-L612 PolarHBondContact O-N 3.5Å; V609-L612 PolarHBondContact O-N 3.4Å; L612-K614 PolarHBondContact O-N 2.79Å; L612-K614 VanDerWaalsContact O-N 3.07Å; L612-R615 PolarHBondContact O-N 3.33Å
613E85.1Confident68.1Low151 Ų151118.5 Ų118.571%0.70666%0.66SS**THydrogen-bonded Turntrans-60.2-18.9176.4-69.1175.7160.700114V609V609-E613 HydrophobicContact CG1-CG 4.09Å; V609-E613 WeakPolarHBondContact CG1-OE1 3.18Å; V609-E613 WeakPolarHBondContact O-CG 3.38Å; V609-E613 PolarHBondContact O-N 3.42Å
614K77.5Confident64.9Low158 Ų158120.3 Ų120.369%0.68768%0.679SS**THydrogen-bonded Turntrans-92.74.1178.1-74-172.7-17283.90114.1A610 V611 L612 P616A610-K614 WeakPolarHBondContact O-CD 3.39Å; A610-K614 VanDerWaalsContact O-CG 3.29Å; A610-K614 WeakPolarHBondContact O-CG 3.29Å; A610-K614 PolarHBondContact O-NZ 2.82Å; V611-K614 PolarHBondContact O-N 2.95Å; L612-K614 PolarHBondContact O-N 2.79Å; L612-K614 VanDerWaalsContact O-N 3.07Å; K614-P616 WeakPolarHBondContact O-CD 3.35Å
615R56.9Low61.8Low200 Ų200117.5 Ų117.576%0.75568%0.684SS**SBendtrans-95.8110.3169-79-178.6164.2173.5-5.2110.3L612L612-R615 PolarHBondContact O-N 3.33Å
616P53.2Low58.6Low126 Ų126118.7 Ų118.782%0.81870%0.699SS**  trans-77.8142.1174.131.7-33.5000111.6K614K614-P616 WeakPolarHBondContact O-CD 3.35Å
617A44.4Very low55.8Low105 Ų105118.1 Ų118.187%0.86871%0.705SS**  trans-72.4159.3-172.700000115.3
618S33.8Very low53.4Low109 Ų109119.8 Ų119.876%0.76272%0.715SS**  trans-151.9111.2162.3720000115.6
619V35.8Very low50.2Low142 Ų142121 Ų12186%0.86173%0.725SS**  trans79.9123.3149.1-139.40000121.4
620T31.9Very low47.2Very low132 Ų132123 Ų12381%0.8174%0.737SS**  trans-83.8171.2169.126.80000114
621P58Low44.4Very low123 Ų123129.2 Ų129.280%0.79977%0.766SS**  trans-109165.5-147.340.6-37.7000117.6
622A23Very low41.6Very low96 Ų96127.7 Ų127.779%0.79377%0.77SS**  trans-161.4122.7156.800000116.1
623L28.6Very low39.4Very low169 Ų169129.6 Ų129.689%0.88579%0.787SS**  trans47.2117.1148.3-94.171.7000124.9
624A27.6Very low36.7Very low93 Ų93125.7 Ų125.777%0.76979%0.787SS**  76.6121.9119.600000123.6
625A29.3Very low34.2Very low91 Ų91124.4 Ų124.475%0.75279%0.792SS**  132125.512100000118.6
626S26.5Very low32.8Very low112 Ų112122.4 Ų122.478%0.78379%0.791SS**  trans66.6118.5146.253.50000123.8
627V37.9Very low31.6Very low124 Ų124124.6 Ų124.675%0.75279%0.791SS**  trans-26154146.9-119.90000116.8
628P37.8Very low30.7Very low121 Ų121129.9 Ų129.979%0.78679%0.794SS**  -147.3168.377.938.4-19.2000119.2
629F27.7Very low30.4Very low181 Ų181129 Ų12979%0.79479%0.794SS**  trans-50157173.2-79.5-112.7000116.4
630T26.6Very low29.9Very low115 Ų115128 Ų12871%0.70679%0.793SS**  176.9141.2101.731.20000114.4
631N30.6Very low29.7Very low157 Ų157126.1 Ų126.184%0.8479%0.791SS**  trans40.6138.7141.8-46.1-17.3000120.8
632G27.5Very low28.7Very low65 Ų65125.7 Ų125.767%0.6779%0.788SS**  cis166.9168.1-3.800000113.7
633T28.8Very low28.9Very low151 Ų151126.7 Ų126.793%0.92678%0.784SS**  trans72.3112.8138.7-45.10000121.4
634G27.4Very low29Very low70 Ų70126.3 Ų126.372%0.72278%0.775SS**  trans128.4146.2139.700000117
635V25.3Very low29Very low131 Ų131128.4 Ų128.479%0.79477%0.769SS**  cis-174.1154.8-23.5114.30000108.8
636Q27.6Very low29Very low157 Ų157131.3 Ų131.373%0.73477%0.767SS**  trans77.7119.6176.9-51.4-130.518.900116.7
637Q28.4Very low29.1Very low173 Ų173133.8 Ų133.881%0.80877%0.766SS**  75.2116.556.9-71.2-171.8-13.600114.8
638K24.7Very low28.9Very low216 Ų216135.8 Ų135.894%0.93977%0.768SS**  176.2152.4103.5-165.5164-177.5178.50111.4
639A27.8Very low28.6Very low91 Ų91137.1 Ų137.175%0.75277%0.768SS**  trans-112155.8-17200000114.2
640S25.4Very low28.9Very low120 Ų120136.5 Ų136.584%0.83977%0.773SS**  trans-178.6131.9143.9530000113.2
641A27.4Very low29.7Very low93 Ų93138.8 Ų138.877%0.76978%0.781SS**  trans-94.6-174.415600000109
642P37.5Very low30Very low114 Ų114139 Ų13974%0.7478%0.782SS**  cis-142.2-167.84.128.9-2.2000116.4
643V27.1Very low31Very low117 Ų117143.7 Ų143.771%0.70979%0.792SS**  trans119.8122.1141.3-175.90000119.4
644K30.1Very low32Very low161 Ų161144.2 Ų144.270%0.779%0.789SS**  trans77.8117.2158.7-81.1172175.5-85.40119.2
645Q28.6Very low33Very low136 Ų136147.7 Ų147.764%0.63679%0.791SS**  68126.993.9-70-176-75.900111.2
646E28.1Very low34.3Very low152 Ų152149.7 Ų149.771%0.7180%0.797SS**  cis-167169.334.8-133.3145-135.800111.4
647E29.5Very low35.3Very low165 Ų165148.1 Ų148.177%0.77179%0.792SS**  trans83.8123.7158.5-61.6-176170.600124.2
648E32.3Very low36.7Very low166 Ų166145.9 Ų145.978%0.77679%0.786SS**  trans73.9134.4137.9-65.5-179.6166.800125.5
649D33.2Very low38.3Very low149 Ų149142.5 Ų142.580%0.79778%0.777SS**  trans56.9120.6160.6-60.3-18.8000123.3D651D649-D651 PolarHBondContact O-N 2.97Å
650D33.2Very low39.2Very low167 Ų167147.3 Ų147.389%0.89378%0.782SS**  trans-81.596.9167.2-77.2-41.8000110.5
651D42.3Very low40.4Very low163 Ų163144.8 Ų144.887%0.87278%0.775SS**  trans-103.9115.4155.2-94-33.4000107.4D649D649-D651 PolarHBondContact O-N 2.97Å
652D38.6Very low41.2Very low161 Ų161145.4 Ų145.486%0.86177%0.774SS**  trans-144.169-177.4-135.511.9000110.5
653D47.8Very low41.3Very low164 Ų164147.2 Ų147.288%0.87778%0.777SS**  trans-153.355.5175.1-138.79.3000111.8
654D50.5Low42Very low163 Ų163149.7 Ų149.787%0.87278%0.781SS**  trans-167.793.4163.3-119.5-15.5000112.5
655D47.6Very low43.2Very low143 Ų143148.1 Ų148.177%0.76578%0.78SS**  trans-157.632160.1-127.4-6.3000115I657D655-I657 PolarHBondContact O-N 2.91Å
656D52.6Low44.4Very low172 Ų172150.1 Ų150.192%0.9279%0.79SS**  trans-88.455.2170.7-112-1.1000110.9D658D656-D658 PolarHBondContact O-N 3.5Å
657I47.9Very low45.5Very low124 Ų124150.5 Ų150.564%0.63679%0.791SS**  trans-73.991.9177.2-57.1-178.6000109.9D655 L659D655-I657 PolarHBondContact O-N 2.91Å; I657-L659 HydrophobicContact CG2-CD1 3.57Å; I657-L659 PolarHBondContact O-N 3.38Å
658D58.5Low46.6Very low126 Ų126144.1 Ų144.167%0.67477%0.767SS**  trans-68.599.7172-176.65.9000111.7D656 F660D656-D658 PolarHBondContact O-N 3.5Å; D658-F660 VanDerWaalsContact C-N 3.32Å; D658-F660 PolarHBondContact OD1-N 2.84Å
659L58.5Low47.9Very low145 Ų145142.9 Ų142.976%0.75976%0.761SS**THydrogen-bonded Turntrans-85.98.1178.1-12676000114.3I657I657-L659 HydrophobicContact CG2-CD1 3.57Å; I657-L659 PolarHBondContact O-N 3.38Å
660F46.5Very low49.2Very low192 Ų192143.2 Ų143.284%0.84276%0.756SS**THydrogen-bonded Turntrans-115.518.9-176.3-77.5-82.2000114.8D658 S662D658-F660 VanDerWaalsContact C-N 3.32Å; D658-F660 PolarHBondContact OD1-N 2.84Å; F660-S662 PolarHBondContact O-N 3.04Å
661G50.6Low50.3Low68 Ų68139.5 Ų139.570%0.70174%0.735SS**  trans-72.179.7176.700000115.7
662S45.1Very low51.2Low106 Ų106137.9 Ų137.974%0.74172%0.721SS**  trans-162.580.3156.866.80000115.2F660F660-S662 PolarHBondContact O-N 3.04Å
663D38.1Very low52.5Low151 Ų151135.1 Ų135.181%0.80770%0.703SS**SBend-171.5141.1128.5-117.7-18.6000113.2
664E42.5Very low53Low169 Ų169132.9 Ų132.979%0.7969%0.687SS**  trans40.1103.8164.7-63.4-177.2140.800120.8
665D56.2Low53.5Low128 Ų128131.2 Ų131.268%0.68467%0.668SS**SBendtrans-89.8-12.3-167.2-80.5-54.5000118.3
666E53.4Low54.3Low179 Ų179130.1 Ų130.184%0.83666%0.662SS**Hα-helixtrans-87.5-28.7-170.9-72.1-169.5167.700115.8
667E50.3Low54.8Low159 Ų159127 Ų12774%0.74364%0.64SS**Hα-helixtrans-84.5-24.7172.8-64.5-159.3160.500112.1E669 K670 L671E667-E669 PolarHBondContact O-N 3.3Å; E667-K670 PolarHBondContact O-N 2.63Å; E667-L671 PolarHBondContact O-N 3.3Å
668A53.8Low55.3Low32 Ų32123.9 Ų123.926%0.26462%0.623SS.*Hα-helixtrans-66-34.1178.900000112.6L671 K672A668-L671 PolarHBondContact O-N 2.94Å; A668-K672 VanDerWaalsContact O-CB 3.29Å; A668-K672 WeakPolarHBondContact O-CB 3.45Å; A668-K672 WeakPolarHBondContact O-CG 3.27Å; A668-K672 PolarHBondContact O-N 2.86Å
669E58.2Low54.9Low140 Ų140124.4 Ų124.465%0.65462%0.616SS**Hα-helixtrans-69.5-40.2175.6-71-163.3154.900112.5E667 K672 E673E667-E669 PolarHBondContact O-N 3.3Å; E669-K672 PolarHBondContact O-N 3.2Å; E669-E673 WeakPolarHBondContact O-CB 3.24Å; E669-E673 PolarHBondContact O-N 2.88Å
670K61.8Low55Low156 Ų156120.3 Ų120.368%0.67860%0.603SS**Hα-helixtrans-64.7-39171.7-82.7178.6178.71680112.1E667 E673 Q674E667-K670 PolarHBondContact O-N 2.63Å; K670-E673 PolarHBondContact O-N 3.04Å; K670-Q674 WeakPolarHBondContact O-CB 3.48Å; K670-Q674 PolarHBondContact O-N 3.13Å
671L56.4Low55.7Low89 Ų89116.4 Ų116.447%0.46659%0.588SS.*Hα-helixtrans-67.9-36.1173.4-89.9157.9000112.5E667 A668 R675E667-L671 PolarHBondContact O-N 3.3Å; A668-L671 PolarHBondContact O-N 2.94Å; L671-R675 WeakPolarHBondContact O-CB 3.39Å; L671-R675 WeakPolarHBondContact O-CG 3.49Å; L671-R675 PolarHBondContact O-N 3.04Å
672K60.6Low56.1Low129 Ų129118 Ų11856%0.56158%0.575SS**Hα-helixtrans-67.8-43.6173-76.8166.5-178173.20111.2A668 E669 R675 L676A668-K672 VanDerWaalsContact O-CB 3.29Å; A668-K672 WeakPolarHBondContact O-CB 3.45Å; A668-K672 WeakPolarHBondContact O-CG 3.27Å; A668-K672 PolarHBondContact O-N 2.86Å; E669-K672 PolarHBondContact O-N 3.2Å; K672-R675 CarbonylContact O-C 3.6Å; K672-R675 PolarHBondContact O-N 3.19Å; K672-L676 VanDerWaalsContact O-CB 3.28Å; K672-L676 WeakPolarHBondContact O-CB 3.38Å; K672-L676 VanDerWaalsContact O-CG 3.24Å; K672-L676 WeakPolarHBondContact O-CG 3.48Å; K672-L676 PolarHBondContact O-N 3.37Å
673E64.6Low56.7Low103 Ų103120.6 Ų120.648%0.48157%0.573SS.*Hα-helixtrans-67.5-42.5177-161.9-156.6-173.100111.4E669 K670 R675 L676 K677E669-E673 WeakPolarHBondContact O-CB 3.24Å; E669-E673 PolarHBondContact O-N 2.88Å; K670-E673 PolarHBondContact O-N 3.04Å; E673-R675 VanDerWaalsContact C-N 3.34Å; E673-L676 PolarHBondContact O-N 3.2Å; E673-K677 HydrophobicContact CG-CD 4.43Å; E673-K677 WeakPolarHBondContact O-CB 3.4Å; E673-K677 WeakPolarHBondContact O-CG 3.18Å; E673-K677 PolarHBondContact O-N 2.95Å; E673-K677 WeakPolarHBondContact OE1-CE 3.39Å; E673-K677 IonicContact OE1-NZ 3.07Å; E673-K677 PolarHBondContact OE1-NZ 3.32Å; E673-K677 IonicContact OE2-NZ 2.62Å; E673-K677 PolarHBondContact OE2-NZ 2.99Å; E673-K677 VanDerWaalsContact OE2-NZ 3.07Å
674Q58.3Low57.6Low117 Ų117117 Ų11755%0.54756%0.564SS.*Hα-helixtrans-66.1-37.2174.8-167.5168.239.100111K670 E678K670-Q674 WeakPolarHBondContact O-CB 3.48Å; K670-Q674 PolarHBondContact O-N 3.13Å; Q674-E678 WeakPolarHBondContact O-CB 3.44Å; Q674-E678 WeakPolarHBondContact O-CG 3.22Å; Q674-E678 PolarHBondContact O-N 2.75Å
675R62.8Low58.1Low128 Ų128115.9 Ų115.948%0.48356%0.557SS.*Hα-helixtrans-69.7-35.9170.5-73.2-71175.8808.6112.7L671 K672 E673 E678 Y679L671-R675 WeakPolarHBondContact O-CB 3.39Å; L671-R675 WeakPolarHBondContact O-CG 3.49Å; L671-R675 PolarHBondContact O-N 3.04Å; K672-R675 CarbonylContact O-C 3.6Å; K672-R675 PolarHBondContact O-N 3.19Å; E673-R675 VanDerWaalsContact C-N 3.34Å; R675-E678 IonicContact NE-OE1 3.76Å; R675-E678 IonicContact NE-OE2 3.98Å; R675-E678 CarbonylContact O-C 3.55Å; R675-E678 WeakPolarHBondContact O-CB 3.34Å; R675-E678 PolarHBondContact O-N 3.01Å; R675-Y679 HydrophobicContact CB-CD2 4.34Å; R675-Y679 HydrophobicContact CB-CE2 4.37Å; R675-Y679 VanDerWaalsContact O-CB 3.3Å; R675-Y679 WeakPolarHBondContact O-CB 3.29Å; R675-Y679 WeakPolarHBondContact O-CD2 3.32Å; R675-Y679 PolarHBondContact O-N 2.7Å
676L63.1Low58Low119 Ų119117.2 Ų117.262%0.62356%0.557SS**Hα-helixtrans-67.9-37.9174.7-80.5163.1000111.3K672 E673 Y679 A680K672-L676 VanDerWaalsContact O-CB 3.28Å; K672-L676 WeakPolarHBondContact O-CB 3.38Å; K672-L676 VanDerWaalsContact O-CG 3.24Å; K672-L676 WeakPolarHBondContact O-CG 3.48Å; K672-L676 PolarHBondContact O-N 3.37Å; E673-L676 PolarHBondContact O-N 3.2Å; L676-Y679 CarbonylContact O-C 3.5Å; L676-Y679 PolarHBondContact O-N 3.26Å; L676-A680 WeakPolarHBondContact O-CB 3.39Å; L676-A680 PolarHBondContact O-N 3.33Å
677K64.1Low57.9Low106 Ų106114.6 Ų114.646%0.46156%0.555SS.*Hα-helixtrans-65.1-46.4169.3-72.4167.5-176.3167.70110.9E673 Y679 A680 E681E673-K677 HydrophobicContact CG-CD 4.43Å; E673-K677 WeakPolarHBondContact O-CB 3.4Å; E673-K677 WeakPolarHBondContact O-CG 3.18Å; E673-K677 PolarHBondContact O-N 2.95Å; E673-K677 WeakPolarHBondContact OE1-CE 3.39Å; E673-K677 IonicContact OE1-NZ 3.07Å; E673-K677 PolarHBondContact OE1-NZ 3.32Å; E673-K677 IonicContact OE2-NZ 2.62Å; E673-K677 PolarHBondContact OE2-NZ 2.99Å; E673-K677 VanDerWaalsContact OE2-NZ 3.07Å; K677-Y679 VanDerWaalsContact C-N 3.28Å; K677-Y679 PolarHBondContact O-N 3.47Å; K677-A680 WeakPolarHBondContact O-CB 2.95Å; K677-A680 PolarHBondContact O-N 3.42Å; K677-E681 WeakPolarHBondContact O-CB 3.43Å; K677-E681 WeakPolarHBondContact O-CG 3.27Å; K677-E681 PolarHBondContact O-N 2.9Å
678E58Low58.2Low59 Ų59110.4 Ų110.428%0.27655%0.547SS..Hα-helixtrans-59.9-34.6170.6-78-178.7-132.500112.7Q674 R675 K682Q674-E678 WeakPolarHBondContact O-CB 3.44Å; Q674-E678 WeakPolarHBondContact O-CG 3.22Å; Q674-E678 PolarHBondContact O-N 2.75Å; R675-E678 IonicContact NE-OE1 3.76Å; R675-E678 IonicContact NE-OE2 3.98Å; R675-E678 CarbonylContact O-C 3.55Å; R675-E678 WeakPolarHBondContact O-CB 3.34Å; R675-E678 PolarHBondContact O-N 3.01Å; E678-K682 WeakPolarHBondContact O-CB 3.21Å; E678-K682 WeakPolarHBondContact O-CD 3.45Å; E678-K682 WeakPolarHBondContact O-CG 3.22Å; E678-K682 PolarHBondContact O-N 3.45Å; E678-K682 IonicContact OE2-NZ 3.76Å; E678-K682 PolarHBondContact OE2-NZ 2.92Å
679Y50.1Low58.5Low137 Ų137117.1 Ų117.154%0.53758%0.577SS.*Hα-helixtrans-77.3-30.9176.9-82.8-62000111.9R675 L676 K677 K682 K683R675-Y679 HydrophobicContact CB-CD2 4.34Å; R675-Y679 HydrophobicContact CB-CE2 4.37Å; R675-Y679 VanDerWaalsContact O-CB 3.3Å; R675-Y679 WeakPolarHBondContact O-CB 3.29Å; R675-Y679 WeakPolarHBondContact O-CD2 3.32Å; R675-Y679 PolarHBondContact O-N 2.7Å; L676-Y679 CarbonylContact O-C 3.5Å; L676-Y679 PolarHBondContact O-N 3.26Å; K677-Y679 VanDerWaalsContact C-N 3.28Å; K677-Y679 PolarHBondContact O-N 3.47Å; Y679-K682 PolarHBondContact O-N 2.83Å; Y679-K683 VanDerWaalsContact O-CB 3.27Å; Y679-K683 WeakPolarHBondContact O-CB 3.39Å; Y679-K683 WeakPolarHBondContact O-CG 3.27Å; Y679-K683 PolarHBondContact O-N 3.37Å
680A61.3Low58.7Low60 Ų60113.2 Ų113.250%0.49656%0.56SS.*Hα-helixtrans-67-47.5168.900000109.9L676 K677 K682 K683 A684L676-A680 WeakPolarHBondContact O-CB 3.39Å; L676-A680 PolarHBondContact O-N 3.33Å; K677-A680 WeakPolarHBondContact O-CB 2.95Å; K677-A680 PolarHBondContact O-N 3.42Å; A680-K682 VanDerWaalsContact C-N 3.32Å; A680-K682 PolarHBondContact O-N 2.93Å; A680-K683 PolarHBondContact O-N 3.31Å; A680-A684 WeakPolarHBondContact O-CB 3.47Å; A680-A684 PolarHBondContact O-N 3.29Å
681E59.9Low59.6Low109 Ų109106.9 Ų106.951%0.50954%0.537SS..Hα-helixtrans-60.9-36.7171.7-71.8173.9-154.300112.8K677 K685K677-E681 WeakPolarHBondContact O-CB 3.43Å; K677-E681 WeakPolarHBondContact O-CG 3.27Å; K677-E681 PolarHBondContact O-N 2.9Å; E681-K685 WeakPolarHBondContact O-CD 3.12Å; E681-K685 WeakPolarHBondContact O-CG 3.39Å; E681-K685 PolarHBondContact O-N 2.85Å
682K59.6Low61Low101 Ų101105.5 Ų105.544%0.43953%0.527SS..Hα-helixtrans-78.6-25.2176.9-70.9160.8-161.8167.40112.7E678 Y679 A680E678-K682 WeakPolarHBondContact O-CB 3.21Å; E678-K682 WeakPolarHBondContact O-CD 3.45Å; E678-K682 WeakPolarHBondContact O-CG 3.22Å; E678-K682 PolarHBondContact O-N 3.45Å; E678-K682 IonicContact OE2-NZ 3.76Å; E678-K682 PolarHBondContact OE2-NZ 2.92Å; Y679-K682 PolarHBondContact O-N 2.83Å; A680-K682 VanDerWaalsContact C-N 3.32Å; A680-K682 PolarHBondContact O-N 2.93Å
683K58.7Low62.3Low161 Ų16199.4 Ų99.470%0.750%0.501SS*.Hα-helixtrans-79.8-35.4169-80-172174.2-177.90111.9Y679 A680 K685 K686Y679-K683 VanDerWaalsContact O-CB 3.27Å; Y679-K683 WeakPolarHBondContact O-CB 3.39Å; Y679-K683 WeakPolarHBondContact O-CG 3.27Å; Y679-K683 PolarHBondContact O-N 3.37Å; A680-K683 PolarHBondContact O-N 3.31Å; K683-K685 PolarHBondContact O-N 3.41Å; K683-K686 WeakPolarHBondContact O-CB 3.39Å; K683-K686 PolarHBondContact O-N 2.92Å; K683-K686 VanDerWaalsContact O-N 3.11Å
684A55.2Low63.5Low75 Ų7596 Ų9662%0.6249%0.488SS*.Hα-helixtrans-70.3-16.1171.100000113.2A680 K686A680-A684 WeakPolarHBondContact O-CB 3.47Å; A680-A684 PolarHBondContact O-N 3.29Å; A684-K686 PolarHBondContact O-N 2.96Å; A684-K686 VanDerWaalsContact O-O 3.12Å
685K54.2Low65.1Low146 Ų14690.5 Ų90.564%0.63546%0.463SS*.THydrogen-bonded Turntrans-74.3-0.8166.8-80.6160.7-172.3153.70114E681 K683 P687E681-K685 WeakPolarHBondContact O-CD 3.12Å; E681-K685 WeakPolarHBondContact O-CG 3.39Å; E681-K685 PolarHBondContact O-N 2.85Å; K683-K685 PolarHBondContact O-N 3.41Å; K685-P687 WeakPolarHBondContact O-CD 3.4Å
686K52.9Low66.5Low157 Ų15786.4 Ų86.468%0.68345%0.45SS*.SBendtrans-78118.9153-64-176.9179.3-175.20106.7K683 A684 A688K683-K686 WeakPolarHBondContact O-CB 3.39Å; K683-K686 PolarHBondContact O-N 2.92Å; K683-K686 VanDerWaalsContact O-N 3.11Å; A684-K686 PolarHBondContact O-N 2.96Å; A684-K686 VanDerWaalsContact O-O 3.12Å; K686-A688 PolarHBondContact O-N 2.6Å
687P51.4Low67.8Low124 Ų12480.9 Ų80.981%0.80542%0.421SS*.  trans-68.589.6172.529.4-33.2000108.4K685K685-P687 WeakPolarHBondContact O-CD 3.4Å
688A57.4Low69.2Low70 Ų7076.4 Ų76.458%0.57940%0.403SS*.  trans-55.9156.815300000108.1K686 I690K686-A688 PolarHBondContact O-N 2.6Å; A688-I690 PolarHBondContact O-N 3.29Å
689I59Low70.7Confident173 Ų17373.6 Ų73.689%0.88739%0.389SS*.  trans-74.780.5171.6-58.3167.6000105.7A691I689-A691 PolarHBondContact O-N 2.79Å
690I63.6Low72.7Confident59 Ų5970.6 Ų70.630%0.30338%0.379SS..  trans-61.8110.7178.1-61.2166.2000106A688 K692 E747A688-I690 PolarHBondContact O-N 3.29Å; I690-K692 HydrophobicContact CG2-CG 4.31Å; I690-K692 PolarHBondContact O-N 2.84Å; I690-E747 HydrophobicContact CG2-CB 3.7Å; I690-E747 HydrophobicContact CG2-CG 3.72Å
691A79.9Confident74.1Confident23 Ų2367.9 Ų67.919%0.1936%0.356CS..  trans-63.1124.617300000107.9I689 D748I689-A691 PolarHBondContact O-N 2.79Å; A691-D748 HydrophobicContact CB-CB 4.17Å; A691-D748 PolarHBondContact O-N 2.96Å
692K86.1Confident75.3Confident59 Ų5969.2 Ų69.226%0.25736%0.357SS..EExtended strand (participates in β ladder)trans-114.1147.9177-75.1163.5-173.3-80.10108.3I690 V745 V746 E747 I778I690-K692 HydrophobicContact CG2-CG 4.31Å; I690-K692 PolarHBondContact O-N 2.84Å; K692-V745 HydrophobicContact CB-CG1 4.46Å; K692-V746 WeakPolarHBondContact CA-O 3.45Å; K692-V746 WeakPolarHBondContact CB-O 3.08Å; K692-E747 HydrophobicContact CG-CG 4.15Å; K692-E747 IonicContact NZ-OE1 2.63Å; K692-E747 PolarHBondContact NZ-OE1 3.46Å; K692-I778 HydrophobicContact CB-CD1 4.01Å; K692-I778 HydrophobicContact CB-CG1 3.55Å; K692-I778 PolarHBondContact O-N 3.22Å
693S87.9Confident76.5Confident2 Ų268.3 Ų68.31%0.01436%0.357CS..EExtended strand (participates in β ladder)trans-127.5138168.953.90000110.5V745 V746 D748 F775 N776S693-V745 CarbonylContact O-C 3.53Å; S693-V745 WeakPolarHBondContact O-CA 3.44Å; S693-V746 PolarHBondContact N-O 2.9Å; S693-V746 PolarHBondContact O-N 3.47Å; S693-V746 WeakPolarHBondContact OG-CG2 3.38Å; S693-D748 VanDerWaalsContact CB-OD1 3.28Å; S693-D748 WeakPolarHBondContact CB-OD1 3.49Å; S693-D748 PolarHBondContact N-OD1 3.3Å; S693-D748 PolarHBondContact OG-OD1 3.47Å; S693-F775 WeakPolarHBondContact OG-CE2 3.42Å; S693-N776 CarbonylContact C-O 3.54Å; S693-N776 WeakPolarHBondContact CA-O 3.39Å
694S90.8Very high77.7Confident30 Ų3064.9 Ų64.921%0.2135%0.346CS..EExtended strand (participates in β ladder)trans-99.7114.9172.3-178.30000107.9C744 N776S694-C744 CarbonylContact C-O 3.58Å; S694-C744 WeakPolarHBondContact CA-O 3.36Å; S694-N776 PolarHBondContact N-O 2.99Å; S694-N776 PolarHBondContact O-N 3.19Å
695I90.8Very high78.9Confident3 Ų369.8 Ų69.82%0.01536%0.356CS..EExtended strand (participates in β ladder)trans-114.8134.9-172.4-44.1-175.4000108L697 A743 C744 V746 T753 V772 F775I695-L697 HydrophobicContact CG2-CD2 4.02Å; I695-L697 HydrophobicContact CG2-CG 4.17Å; I695-A743 CarbonylContact O-C 3.6Å; I695-A743 WeakPolarHBondContact O-CA 3.48Å; I695-C744 PolarHBondContact N-O 3.34Å; I695-C744 PolarHBondContact O-N 3.28Å; I695-V746 HydrophobicContact CD1-CG2 3.87Å; I695-V746 HydrophobicContact CG1-CG2 4.4Å; I695-T753 HydrophobicContact CD1-CG2 3.59Å; I695-V772 HydrophobicContact CG2-CG1 4.07Å; I695-F775 HydrophobicContact CD1-CD2 3.89Å; I695-F775 HydrophobicContact CD1-CE2 3.85Å; I695-F775 HydrophobicContact CG1-CD2 3.79Å; I695-F775 HydrophobicContact CG1-CE2 4.03Å; I695-F775 HydrophobicContact CG2-CD2 4.49Å
696L92.4Very high80.1Confident41 Ų4164 Ų6422%0.21533%0.333CS..EExtended strand (participates in β ladder)trans-102.6114.3168.3-68179.5000108.1A743 A773 A774L696-A743 HydrophobicContact CD2-CB 3.66Å; L696-A773 HydrophobicContact CB-CB 4.17Å; L696-A773 WeakPolarHBondContact O-CB 3.14Å; L696-A773 PolarHBondContact O-N 3.34Å; L696-A774 HydrophobicContact CB-CB 4.17Å; L696-A774 HydrophobicContact CD1-CB 4.04Å; L696-A774 HydrophobicContact CG-CB 4.34Å; L696-A774 PolarHBondContact N-O 3.35Å; L696-A774 PolarHBondContact O-N 2.85Å
697L91.3Very high81.7Confident3 Ų359.8 Ų59.82%0.01632%0.318CS..EExtended strand (participates in β ladder)trans-101.9124.8177.1-63.7168.3000109I695 W725 Q741 I742 I760 V770 V772I695-L697 HydrophobicContact CG2-CD2 4.02Å; I695-L697 HydrophobicContact CG2-CG 4.17Å; L697-W725 HydrophobicContact CD1-CZ3 4.45Å; L697-Q741 CarbonylContact O-C 3.59Å; L697-Q741 WeakPolarHBondContact O-CA 3.47Å; L697-I742 HydrophobicContact CB-CG2 4.1Å; L697-I742 PolarHBondContact N-O 2.85Å; L697-I742 PolarHBondContact O-N 3.25Å; L697-I760 HydrophobicContact CD1-CD1 3.76Å; L697-V770 HydrophobicContact CD2-CG1 4.26Å; L697-V772 HydrophobicContact CD2-CG2 4.07Å
698D92.4Very high83.1Confident13 Ų1355.3 Ų55.37%0.0729%0.287CS..EExtended strand (participates in β ladder)trans-96.6106.3171.3-82.511.1000108.5K739 Q741 D771 A773D698-K739 HydrophobicContact CB-CD 4.24Å; D698-K739 WeakPolarHBondContact OD2-CD 3.25Å; D698-K739 WeakPolarHBondContact OD2-CE 3.31Å; D698-K739 IonicContact OD2-NZ 3.22Å; D698-K739 PolarHBondContact OD2-NZ 2.96Å; D698-Q741 WeakPolarHBondContact OD1-CB 2.99Å; D698-Q741 WeakPolarHBondContact OD1-CG 3.25Å; D698-Q741 PolarHBondContact OD1-NE2 2.9Å; D698-D771 HydrophobicContact CB-CB 4.28Å; D698-D771 PolarHBondContact N-O 3.07Å; D698-D771 PolarHBondContact O-N 2.89Å; D698-A773 HydrophobicContact CB-CB 4.25Å; D698-A773 VanDerWaalsContact CG-CB 3.5Å; D698-A773 WeakPolarHBondContact OD1-CB 3.03Å
699V90.3Very high84.4Confident0 Ų055 Ų550%029%0.285CS..EExtended strand (participates in β ladder)trans-95.1120.1175.4-168.90000108.8L711 V715 L740 I760 V767V699-L711 HydrophobicContact CB-CD2 4.12Å; V699-L711 HydrophobicContact CG1-CD1 4.42Å; V699-L711 HydrophobicContact CG1-CD2 3.81Å; V699-L711 HydrophobicContact CG1-CG 4.49Å; V699-V715 HydrophobicContact CG2-CG2 4.47Å; V699-L740 HydrophobicContact CB-CB 4.42Å; V699-L740 PolarHBondContact N-O 2.92Å; V699-L740 PolarHBondContact O-N 3.22Å; V699-I760 HydrophobicContact CG1-CG2 4.18Å; V699-I760 HydrophobicContact CG2-CG2 4.05Å; V699-V767 HydrophobicContact CG1-CB 4.19Å; V699-V767 HydrophobicContact CG1-CG1 3.62Å; V699-V767 HydrophobicContact CG1-CG2 3.56Å
700K91.1Very high85.7Confident74 Ų7451.4 Ų51.432%0.32226%0.262SS..EExtended strand (participates in β ladder)trans-100.1120-177.7-167.7-174.4177.1-158.20109.7Q768 S769K700-Q768 WeakPolarHBondContact O-CB 3.13Å; K700-Q768 PolarHBondContact O-N 3.37Å; K700-S769 PolarHBondContact N-O 3.43Å; K700-S769 PolarHBondContact O-N 2.73Å
701P90.8Very high86.8Confident2 Ų248.7 Ų48.71%0.01325%0.248CC..EExtended strand (participates in β ladder)trans-73.7165.5175.133-36.8000111.6T706 M708 L711 I737 K738 Y766P701-T706 HydrophobicContact CB-CG2 4.03Å; P701-M708 HydrophobicContact CB-SD 4.23Å; P701-M708 HydrophobicContact CG-CE 4.18Å; P701-M708 HydrophobicContact CG-SD 3.86Å; P701-L711 HydrophobicContact CB-CD1 3.97Å; P701-I737 HydrophobicContact CG-CG2 4.17Å; P701-K738 VanDerWaalsContact CD-O 3.27Å; P701-K738 WeakPolarHBondContact CD-O 3.5Å; P701-K738 VanDerWaalsContact CG-O 3.28Å; P701-K738 WeakPolarHBondContact CG-O 3.25Å; P701-Y766 WeakPolarHBondContact CA-O 3.24Å
702W85.6Confident87.2Confident137 Ų13749.8 Ų49.852%0.51925%0.25SC..SBendtrans-65.6-43.8174.1-76.8104000113.6E764 V767 Q768W702-E764 PolarHBondContact NE1-O 2.85Å; W702-V767 PolarHBondContact NE1-O 3.12Å; W702-V767 VanDerWaalsContact NE1-O 3.14Å; W702-Q768 HydrophobicContact CD2-CB 3.86Å; W702-Q768 HydrophobicContact CD2-CG 4.41Å; W702-Q768 HydrophobicContact CE3-CB 4.09Å; W702-Q768 HydrophobicContact CE3-CG 4.15Å; W702-Q768 VanDerWaalsContact CE3-NE2 3.3Å; W702-Q768 HydrophobicContact CG-CB 4.24Å; W702-Q768 HydrophobicContact CH2-CG 4.34Å; W702-Q768 HydrophobicContact CZ2-CB 4.39Å; W702-Q768 HydrophobicContact CZ3-CB 4.44Å; W702-Q768 HydrophobicContact CZ3-CG 4.11Å
703D85.6Confident87.3Confident83 Ų8353.6 Ų53.644%0.44427%0.268SS..  trans-151.9170-175.6-153.11.6000113.4E705 T706D703-E705 VanDerWaalsContact C-N 3.32Å; D703-E705 PolarHBondContact O-N 3.2Å; D703-T706 PolarHBondContact N-OG1 2.86Å; D703-T706 VanDerWaalsContact O-CB 3.23Å; D703-T706 WeakPolarHBondContact O-CB 3.5Å; D703-T706 PolarHBondContact O-N 3.41Å; D703-T706 VanDerWaalsContact O-N 3.17Å; D703-T706 PolarHBondContact O-OG1 3.09Å
704D84.1Confident87.2Confident88 Ų8855 Ų5547%0.47128%0.278SS..THydrogen-bonded Turntrans-73.5-18-178.982-22.6000114.8T706 G736 I737D704-T706 PolarHBondContact O-N 3.33Å; D704-G736 VanDerWaalsContact CB-C 3.49Å; D704-I737 HydrophobicContact CB-CG1 4.08Å
705E80.4Confident87Confident179 Ų17953.6 Ų53.684%0.83627%0.268SS*.THydrogen-bonded Turntrans-73.6-11.1168.3-61.9-163.3162.300113.4D703 D707D703-E705 VanDerWaalsContact C-N 3.32Å; D703-E705 PolarHBondContact O-N 3.2Å; E705-D707 PolarHBondContact O-N 2.97Å
706T79.1Confident86.9Confident25 Ų2557.6 Ų57.615%0.15328%0.283CS..SBendtrans-66.8131.4-178.3-44.40000111.2P701 D703 D704 M708 Y766P701-T706 HydrophobicContact CB-CG2 4.03Å; D703-T706 PolarHBondContact N-OG1 2.86Å; D703-T706 VanDerWaalsContact O-CB 3.23Å; D703-T706 WeakPolarHBondContact O-CB 3.5Å; D703-T706 PolarHBondContact O-N 3.41Å; D703-T706 VanDerWaalsContact O-N 3.17Å; D703-T706 PolarHBondContact O-OG1 3.09Å; D704-T706 PolarHBondContact O-N 3.33Å; T706-M708 PolarHBondContact O-N 2.7Å; T706-Y766 HydrophobicContact CG2-CD1 4.01Å
707D84.8Confident86.7Confident67 Ų6759.1 Ų59.136%0.35830%0.297SS..  trans-72.393.8-179.2-168.9-18.5000111.7E705 A709 K710 L711E705-D707 PolarHBondContact O-N 2.97Å; D707-A709 PolarHBondContact O-N 2.82Å; D707-A709 VanDerWaalsContact O-N 3.11Å; D707-A709 WeakPolarHBondContact OD1-CB 3.48Å; D707-A709 PolarHBondContact OD1-N 3.29Å; D707-A709 VanDerWaalsContact OD1-N 3.1Å; D707-K710 HydrophobicContact CB-CB 4.22Å; D707-K710 HydrophobicContact CB-CD 4.24Å; D707-K710 HydrophobicContact CB-CG 4.12Å; D707-K710 PolarHBondContact O-N 2.96Å; D707-K710 PolarHBondContact OD1-N 3.38Å; D707-K710 IonicContact OD2-NZ 2.82Å; D707-K710 PolarHBondContact OD2-NZ 3.22Å; D707-L711 PolarHBondContact O-N 2.76Å
708M81.3Confident86.4Confident30 Ų3059.6 Ų59.615%0.14830%0.3CS..Hα-helixtrans-56.3-26.9-179.8-58.2-54.1-64.700113.7P701 T706 E712 L730 K738 L740P701-M708 HydrophobicContact CB-SD 4.23Å; P701-M708 HydrophobicContact CG-CE 4.18Å; P701-M708 HydrophobicContact CG-SD 3.86Å; T706-M708 PolarHBondContact O-N 2.7Å; M708-E712 PolarHBondContact O-N 3.31Å; M708-L730 HydrophobicContact CB-CD1 4.38Å; M708-L730 HydrophobicContact CB-CD2 4.12Å; M708-L730 HydrophobicContact CE-CD2 3.63Å; M708-L730 HydrophobicContact CG-CD2 4.42Å; M708-K738 HydrophobicContact CE-CB 4.44Å; M708-K738 WeakPolarHBondContact CE-O 3.25Å; M708-L740 HydrophobicContact CE-CB 4.07Å
709A85.8Confident85.9Confident65 Ų6567.8 Ų67.854%0.53734%0.338SS..Hα-helixtrans-75.1-38.8178.400000111.4D707 E712 E713D707-A709 PolarHBondContact O-N 2.82Å; D707-A709 VanDerWaalsContact O-N 3.11Å; D707-A709 WeakPolarHBondContact OD1-CB 3.48Å; D707-A709 PolarHBondContact OD1-N 3.29Å; D707-A709 VanDerWaalsContact OD1-N 3.1Å; A709-E712 PolarHBondContact O-N 2.83Å; A709-E713 WeakPolarHBondContact O-CB 3.46Å; A709-E713 PolarHBondContact O-N 3.48Å
710K86.3Confident85.5Confident96 Ų9669.3 Ų69.342%0.41735%0.351SS..Hα-helixtrans-67.2-40172.2-67.7-171.2-171.793.20111.9D707 E712 E713 C714D707-K710 HydrophobicContact CB-CB 4.22Å; D707-K710 HydrophobicContact CB-CD 4.24Å; D707-K710 HydrophobicContact CB-CG 4.12Å; D707-K710 PolarHBondContact O-N 2.96Å; D707-K710 PolarHBondContact OD1-N 3.38Å; D707-K710 IonicContact OD2-NZ 2.82Å; D707-K710 PolarHBondContact OD2-NZ 3.22Å; K710-E712 VanDerWaalsContact C-N 3.32Å; K710-E712 PolarHBondContact O-N 2.87Å; K710-E713 PolarHBondContact O-N 3.3Å; K710-C714 WeakPolarHBondContact O-CB 3.49Å; K710-C714 PolarHBondContact O-N 2.78Å; K710-C714 PolarHBondContact O-SG 2.87Å
711L86.1Confident85Confident2 Ų271.5 Ų71.51%0.0137%0.366CS..Hα-helixtrans-60.9-43.2175.8-170.2159.2000110.5V699 P701 D707 V715 L740 Y766 V767V699-L711 HydrophobicContact CB-CD2 4.12Å; V699-L711 HydrophobicContact CG1-CD1 4.42Å; V699-L711 HydrophobicContact CG1-CD2 3.81Å; V699-L711 HydrophobicContact CG1-CG 4.49Å; P701-L711 HydrophobicContact CB-CD1 3.97Å; D707-L711 PolarHBondContact O-N 2.76Å; L711-V715 HydrophobicContact CD2-CG2 4.39Å; L711-V715 WeakPolarHBondContact O-CG2 3.3Å; L711-V715 PolarHBondContact O-N 3.12Å; L711-V715 VanDerWaalsContact O-N 3.09Å; L711-L740 HydrophobicContact CD2-CB 3.92Å; L711-L740 HydrophobicContact CD2-CD2 3.39Å; L711-L740 HydrophobicContact CD2-CG 4.28Å; L711-Y766 WeakPolarHBondContact CD1-O 3.42Å; L711-V767 HydrophobicContact CD1-CG2 4.37Å; L711-V767 HydrophobicContact CG-CG2 4.44Å
712E87.8Confident84.6Confident46 Ų4672.1 Ų72.122%0.21537%0.372CS..Hα-helixtrans-63.4-41.9171.8-177.4175172.800112.8M708 A709 K710 V715 R716 S728 L740M708-E712 PolarHBondContact O-N 3.31Å; A709-E712 PolarHBondContact O-N 2.83Å; K710-E712 VanDerWaalsContact C-N 3.32Å; K710-E712 PolarHBondContact O-N 2.87Å; E712-V715 PolarHBondContact O-N 3.01Å; E712-R716 HydrophobicContact CG-CG 4.32Å; E712-R716 WeakPolarHBondContact O-CB 3.26Å; E712-R716 VanDerWaalsContact O-CG 3.31Å; E712-R716 WeakPolarHBondContact O-CG 3.26Å; E712-R716 PolarHBondContact O-N 3.46Å; E712-R716 IonicContact OE1-CZ 3.72Å; E712-R716 IonicContact OE1-NE 3.09Å; E712-R716 PolarHBondContact OE1-NE 3.35Å; E712-R716 IonicContact OE1-NH2 3.4Å; E712-R716 PolarHBondContact OE1-NH2 2.72Å; E712-S728 WeakPolarHBondContact OE1-CB 3.38Å; E712-S728 PolarHBondContact OE1-OG 2.93Å; E712-S728 PolarHBondContact OE2-OG 2.81Å; E712-L740 HydrophobicContact CB-CD1 4.35Å; E712-L740 HydrophobicContact CB-CD2 3.93Å; E712-L740 HydrophobicContact CG-CD2 4.41Å
713E88.6Confident84.7Confident140 Ų14066.4 Ų66.465%0.65435%0.352SS*.Hα-helixtrans-63.5-43.8177.9-172.1171.6-166.500112A709 K710 R716 S717A709-E713 WeakPolarHBondContact O-CB 3.46Å; A709-E713 PolarHBondContact O-N 3.48Å; K710-E713 PolarHBondContact O-N 3.3Å; E713-R716 CarbonylContact O-C 3.53Å; E713-R716 PolarHBondContact O-N 2.85Å; E713-S717 WeakPolarHBondContact O-CB 3.35Å; E713-S717 PolarHBondContact O-N 3.47Å
714C85.4Confident84.8Confident31 Ų3167.9 Ų67.921%0.20936%0.359CS..Hα-helixtrans-59-49.5174.1-69.90000111.4K710 R716 S717 F763K710-C714 WeakPolarHBondContact O-CB 3.49Å; K710-C714 PolarHBondContact O-N 2.78Å; K710-C714 PolarHBondContact O-SG 2.87Å; C714-R716 PolarHBondContact O-N 3.09Å; C714-S717 WeakPolarHBondContact O-CB 2.98Å; C714-S717 PolarHBondContact O-N 2.98Å; C714-S717 VanDerWaalsContact O-N 3.11Å; C714-S717 PolarHBondContact O-OG 3.07Å; C714-F763 HydrophobicContact CB-CD1 4.06Å; C714-F763 HydrophobicContact CB-CD2 4.31Å; C714-F763 HydrophobicContact CB-CE1 3.96Å; C714-F763 HydrophobicContact CB-CE2 4.22Å; C714-F763 HydrophobicContact CB-CG 4.23Å; C714-F763 HydrophobicContact CB-CZ 4.05Å
715V87.1Confident85.1Confident1 Ų166 Ų661%0.00635%0.346CS..Hα-helixtrans-62.4-42.1177.7177.20000111.2V699 L711 E712 S717 V718 W725 I742 I760V699-V715 HydrophobicContact CG2-CG2 4.47Å; L711-V715 HydrophobicContact CD2-CG2 4.39Å; L711-V715 WeakPolarHBondContact O-CG2 3.3Å; L711-V715 PolarHBondContact O-N 3.12Å; L711-V715 VanDerWaalsContact O-N 3.09Å; E712-V715 PolarHBondContact O-N 3.01Å; V715-S717 VanDerWaalsContact C-N 3.27Å; V715-S717 PolarHBondContact O-N 3.06Å; V715-V718 WeakPolarHBondContact O-CB 3.48Å; V715-V718 PolarHBondContact O-N 2.88Å; V715-W725 HydrophobicContact CG1-CE3 4.28Å; V715-W725 HydrophobicContact CG1-CH2 3.52Å; V715-W725 HydrophobicContact CG1-CZ2 3.9Å; V715-W725 HydrophobicContact CG1-CZ3 3.71Å; V715-W725 WeakPolarHBondContact O-CZ2 3.31Å; V715-W725 PolarHBondContact O-NE1 3.35Å; V715-I742 HydrophobicContact CG1-CD1 4.01Å; V715-I742 HydrophobicContact CG1-CG2 4.22Å; V715-I760 HydrophobicContact CG1-CD1 4.31Å; V715-I760 HydrophobicContact CG1-CG1 4.36Å; V715-I760 HydrophobicContact CG2-CG1 4.46Å; V715-I760 HydrophobicContact CG2-CG2 4.08Å
716R87.9Confident85.5Confident86 Ų8659 Ų5933%0.32532%0.321SS..Hα-helixtrans-69.4-20.4175.7-72.5-175-176-67.9-3.9114E712 E713 C714 V718 G726 S728 I742E712-R716 HydrophobicContact CG-CG 4.32Å; E712-R716 WeakPolarHBondContact O-CB 3.26Å; E712-R716 VanDerWaalsContact O-CG 3.31Å; E712-R716 WeakPolarHBondContact O-CG 3.26Å; E712-R716 PolarHBondContact O-N 3.46Å; E712-R716 IonicContact OE1-CZ 3.72Å; E712-R716 IonicContact OE1-NE 3.09Å; E712-R716 PolarHBondContact OE1-NE 3.35Å; E712-R716 IonicContact OE1-NH2 3.4Å; E712-R716 PolarHBondContact OE1-NH2 2.72Å; E713-R716 CarbonylContact O-C 3.53Å; E713-R716 PolarHBondContact O-N 2.85Å; C714-R716 PolarHBondContact O-N 3.09Å; R716-V718 VanDerWaalsContact C-N 3.3Å; R716-G726 PolarHBondContact NH1-O 3.5Å; R716-G726 PolarHBondContact NH2-O 2.95Å; R716-S728 PolarHBondContact NH2-OG 2.85Å; R716-S728 VanDerWaalsContact NH2-OG 3.07Å; R716-I742 HydrophobicContact CG-CD1 4.34Å
717S88.2Confident86Confident74 Ų7463.2 Ų63.252%0.51735%0.347SS..Hα-helixtrans-73.6-22.8178.379.20000112.8E713 C714 V715 Q719E713-S717 WeakPolarHBondContact O-CB 3.35Å; E713-S717 PolarHBondContact O-N 3.47Å; C714-S717 WeakPolarHBondContact O-CB 2.98Å; C714-S717 PolarHBondContact O-N 2.98Å; C714-S717 VanDerWaalsContact O-N 3.11Å; C714-S717 PolarHBondContact O-OG 3.07Å; V715-S717 VanDerWaalsContact C-N 3.27Å; V715-S717 PolarHBondContact O-N 3.06Å; S717-Q719 PolarHBondContact O-N 2.94Å; S717-Q719 VanDerWaalsContact O-N 3.15Å
718V86.1Confident86.3Confident13 Ų1361.8 Ų61.88%0.07934%0.342CS..  trans-62.7112.6173175.90000109.5V715 R716 L723 W725 E759 F763V715-V718 WeakPolarHBondContact O-CB 3.48Å; V715-V718 PolarHBondContact O-N 2.88Å; R716-V718 VanDerWaalsContact C-N 3.3Å; V718-L723 HydrophobicContact CG1-CD2 4.05Å; V718-W725 HydrophobicContact CB-CZ2 4.09Å; V718-W725 HydrophobicContact CG1-CZ2 4.35Å; V718-W725 PolarHBondContact O-NE1 3.23Å; V718-E759 HydrophobicContact CB-CG 4.28Å; V718-E759 HydrophobicContact CG1-CB 4.11Å; V718-E759 HydrophobicContact CG1-CG 3.75Å; V718-E759 HydrophobicContact CG2-CB 4.24Å; V718-E759 HydrophobicContact CG2-CG 3.58Å; V718-F763 HydrophobicContact CG2-CE2 4.05Å
719Q82.3Confident86.8Confident185 Ų18565.4 Ų65.486%0.86436%0.357SS*.  trans-113.3124.3173.7-71.8-174.14.100110.2S717S717-Q719 PolarHBondContact O-N 2.94Å; S717-Q719 VanDerWaalsContact O-N 3.15Å
720A81.3Confident86.9Confident32 Ų3266.3 Ų66.326%0.26435%0.352SS..  trans-131.9149.4170.400000109.7G722 L723 V751A720-G722 PolarHBondContact O-N 3.12Å; A720-L723 HydrophobicContact CB-CB 3.97Å; A720-L723 HydrophobicContact CB-CD2 4.19Å; A720-L723 WeakPolarHBondContact O-CB 3.27Å; A720-L723 PolarHBondContact O-N 3.2Å; A720-L723 VanDerWaalsContact O-N 3.09Å; A720-V751 HydrophobicContact CB-CG2 4.07Å
721D81.1Confident87Confident119 Ų11963.8 Ų63.864%0.63635%0.345SS*.THydrogen-bonded Turntrans-69.6116.7178177.431.4000110.5K750 V751D721-K750 VanDerWaalsContact CG-NZ 3.26Å; D721-K750 IonicContact OD1-NZ 2.76Å; D721-K750 PolarHBondContact OD1-NZ 3.28Å; D721-K750 VanDerWaalsContact OD1-NZ 3.14Å; D721-K750 WeakPolarHBondContact OD2-CD 3.32Å; D721-K750 WeakPolarHBondContact OD2-CE 2.97Å; D721-K750 IonicContact OD2-NZ 2.64Å; D721-K750 PolarHBondContact OD2-NZ 3.43Å; D721-V751 WeakPolarHBondContact O-CG2 2.97Å
722G81.9Confident87.2Confident15 Ų1568.6 Ų68.616%0.15538%0.376CS..THydrogen-bonded Turntrans97.5-2.2-172.900000114.7A720 V746 E747A720-G722 PolarHBondContact O-N 3.12Å; G722-V746 CarbonylContact O-C 3.58Å; G722-V746 WeakPolarHBondContact O-CA 3.4Å; G722-E747 PolarHBondContact O-N 3.26Å; G722-E747 VanDerWaalsContact O-N 3.11Å
723L87.3Confident87Confident18 Ų1870.8 Ų70.89%0.09439%0.393CS..  trans-92.5125.7174.4176.564.3000111.7V718 A720 W725 C744 V746 V751 L756V718-L723 HydrophobicContact CG1-CD2 4.05Å; A720-L723 HydrophobicContact CB-CB 3.97Å; A720-L723 HydrophobicContact CB-CD2 4.19Å; A720-L723 WeakPolarHBondContact O-CB 3.27Å; A720-L723 PolarHBondContact O-N 3.2Å; A720-L723 VanDerWaalsContact O-N 3.09Å; L723-W725 HydrophobicContact CD1-CZ2 4.36Å; L723-W725 HydrophobicContact CD2-CZ2 3.73Å; L723-W725 HydrophobicContact CG-CZ2 4.42Å; L723-C744 HydrophobicContact CD1-CB 3.86Å; L723-V746 HydrophobicContact CD1-CG1 3.82Å; L723-V751 HydrophobicContact CB-CG2 4.41Å; L723-L756 HydrophobicContact CD1-CD1 3.93Å; L723-L756 HydrophobicContact CD1-CD2 3.81Å; L723-L756 HydrophobicContact CD2-CD2 3.6Å; L723-L756 HydrophobicContact CG-CD2 4.28Å
724L87.7Confident86.6Confident113 Ų11365.6 Ų65.659%0.59238%0.377SS*.EExtended strand (participates in β ladder)trans-123.1112.3173.7-64.9174.4000110.6G726 C744 V745L724-G726 PolarHBondContact O-N 2.78Å; L724-C744 CarbonylContact O-C 3.57Å; L724-C744 VanDerWaalsContact O-CA 3.32Å; L724-C744 WeakPolarHBondContact O-CA 3.21Å; L724-V745 HydrophobicContact CB-CB 4.3Å; L724-V745 PolarHBondContact N-O 2.98Å; L724-V745 PolarHBondContact O-N 3.08Å
725W91.1Very high86.4Confident50 Ų5075 Ų7519%0.18941%0.41CS..EExtended strand (participates in β ladder)trans-72124.8173-67.6114.8000111.8L697 V715 V718 L723 I742 C744 I760L697-W725 HydrophobicContact CD1-CZ3 4.45Å; V715-W725 HydrophobicContact CG1-CE3 4.28Å; V715-W725 HydrophobicContact CG1-CH2 3.52Å; V715-W725 HydrophobicContact CG1-CZ2 3.9Å; V715-W725 HydrophobicContact CG1-CZ3 3.71Å; V715-W725 WeakPolarHBondContact O-CZ2 3.31Å; V715-W725 PolarHBondContact O-NE1 3.35Å; V718-W725 HydrophobicContact CB-CZ2 4.09Å; V718-W725 HydrophobicContact CG1-CZ2 4.35Å; V718-W725 PolarHBondContact O-NE1 3.23Å; L723-W725 HydrophobicContact CD1-CZ2 4.36Å; L723-W725 HydrophobicContact CD2-CZ2 3.73Å; L723-W725 HydrophobicContact CG-CZ2 4.42Å; W725-I742 HydrophobicContact CD2-CD1 4.37Å; W725-I742 HydrophobicContact CE3-CD1 3.64Å; W725-I742 HydrophobicContact CE3-CG1 4.01Å; W725-I742 HydrophobicContact CZ3-CD1 4.1Å; W725-I742 HydrophobicContact CZ3-CG1 4.35Å; W725-I742 HydrophobicContact CZ3-CG2 4.14Å; W725-C744 HydrophobicContact CE3-CB 3.72Å; W725-C744 HydrophobicContact CH2-CB 4.48Å; W725-C744 HydrophobicContact CZ3-CB 3.69Å; W725-I760 HydrophobicContact CH2-CD1 4.16Å
726G88.9Confident86.2Confident31 Ų3177.2 Ų77.232%0.3243%0.433SS..EExtended strand (participates in β ladder)trans-95.3-147.8177.300000113.3R716 L724 A743R716-G726 PolarHBondContact NH1-O 3.5Å; R716-G726 PolarHBondContact NH2-O 2.95Å; L724-G726 PolarHBondContact O-N 2.78Å; G726-A743 WeakPolarHBondContact CA-O 3.31Å; G726-A743 PolarHBondContact N-O 2.88Å
727T89.4Confident86.1Confident113 Ų11375.1 Ų75.169%0.69343%0.428SS*.EExtended strand (participates in β ladder)trans-76.3136.318049.70000111.7A743T727-A743 PolarHBondContact O-N 3.33Å
728S91.7Very high86.1Confident37 Ų3776.4 Ų76.426%0.25942%0.424SS..EExtended strand (participates in β ladder)trans-95.7148167.448.60000110E712 R716 Q741E712-S728 WeakPolarHBondContact OE1-CB 3.38Å; E712-S728 PolarHBondContact OE1-OG 2.93Å; E712-S728 PolarHBondContact OE2-OG 2.81Å; R716-S728 PolarHBondContact NH2-OG 2.85Å; R716-S728 VanDerWaalsContact NH2-OG 3.07Å; S728-Q741 CarbonylContact C-O 3.57Å; S728-Q741 WeakPolarHBondContact CA-O 3.5Å
729K90.1Very high86.4Confident106 Ų10678.6 Ų78.646%0.46143%0.432SS..EExtended strand (participates in β ladder)trans-142.2135.716841163162.7157.20109.9V731 Q741K729-V731 HydrophobicContact CD-CG2 4.36Å; K729-Q741 HydrophobicContact CD-CG 4.37Å; K729-Q741 HydrophobicContact CG-CB 4.07Å; K729-Q741 HydrophobicContact CG-CG 4.21Å; K729-Q741 WeakPolarHBondContact CG-O 3.5Å; K729-Q741 PolarHBondContact N-O 3.09Å; K729-Q741 PolarHBondContact O-N 3.3Å
730L89.6Confident86.8Confident84 Ų8469.8 Ų69.844%0.4439%0.391SS..EExtended strand (participates in β ladder)trans-87.9116174.2-62.7175.9000109.2M708 L740M708-L730 HydrophobicContact CB-CD1 4.38Å; M708-L730 HydrophobicContact CB-CD2 4.12Å; M708-L730 HydrophobicContact CE-CD2 3.63Å; M708-L730 HydrophobicContact CG-CD2 4.42Å; L730-L740 HydrophobicContact CD2-CB 4.26Å; L730-L740 HydrophobicContact CD2-CD1 3.69Å
731V88.6Confident87.3Confident44 Ų4469.3 Ų69.327%0.26738%0.383SS..EExtended strand (participates in β ladder)trans-104.2117.8178.7-178.40000108.8K729 V733 K738 K739 Q741K729-V731 HydrophobicContact CD-CG2 4.36Å; V731-V733 PolarHBondContact O-N 2.99Å; V731-K738 CarbonylContact O-C 3.57Å; V731-K738 WeakPolarHBondContact O-CA 3.4Å; V731-K739 HydrophobicContact CB-CG 3.95Å; V731-K739 PolarHBondContact N-O 3.33Å; V731-K739 PolarHBondContact O-N 2.82Å; V731-Q741 HydrophobicContact CG2-CB 4.19Å
732P89Confident87.9Confident102 Ų10263.6 Ų63.666%0.66235%0.353SS*.EExtended strand (participates in β ladder)trans-68.7128.6175.828.5-32.9000110.2K738P732-K738 HydrophobicContact CB-CG 4.37Å
733V83.8Confident88.4Confident92 Ų9263.5 Ų63.556%0.55835%0.351SS*.EExtended strand (participates in β ladder)trans-98.6-34178.5-173.50000110.8V731 I737 K739V731-V733 PolarHBondContact O-N 2.99Å; V733-I737 PolarHBondContact N-O 2.79Å; V733-K739 HydrophobicContact CG2-CB 3.96Å; V733-K739 HydrophobicContact CG2-CD 3.71Å; V733-K739 HydrophobicContact CG2-CG 3.6Å
734G81.2Confident88.5Confident32 Ų3262.7 Ų62.733%0.3335%0.346SS..EExtended strand (participates in β ladder)trans147.7166.2178.600000110.8G736 I737G734-G736 VanDerWaalsContact C-N 3.3Å; G734-G736 PolarHBondContact O-N 2.98Å; G734-I737 PolarHBondContact N-O 2.97Å; G734-I737 WeakPolarHBondContact O-CB 3.44Å; G734-I737 PolarHBondContact O-N 2.64Å
735Y80.8Confident88.6Confident228 Ų22859.1 Ų59.189%0.89433%0.329SS*.THydrogen-bonded Turntrans51.241.6173.3-56.2-83.5000114.9I737Y735-I737 PolarHBondContact O-N 3.02Å
736G81.6Confident88.6Confident48 Ų4856.8 Ų56.850%0.49532%0.321SS..THydrogen-bonded Turntrans81.2-35.3-176.200000114.1D704 G734 K738D704-G736 VanDerWaalsContact CB-C 3.49Å; G734-G736 VanDerWaalsContact C-N 3.3Å; G734-G736 PolarHBondContact O-N 2.98Å; G736-K738 PolarHBondContact O-N 2.84Å
737I87.7Confident88.5Confident42 Ų4256.7 Ų56.722%0.21531%0.312CS..EExtended strand (participates in β ladder)trans-62.4126.4-177.2-52.3173.9000111.4P701 D704 V733 G734 Y735P701-I737 HydrophobicContact CG-CG2 4.17Å; D704-I737 HydrophobicContact CB-CG1 4.08Å; V733-I737 PolarHBondContact N-O 2.79Å; G734-I737 PolarHBondContact N-O 2.97Å; G734-I737 WeakPolarHBondContact O-CB 3.44Å; G734-I737 PolarHBondContact O-N 2.64Å; Y735-I737 PolarHBondContact O-N 3.02Å
738K87.6Confident88.3Confident100 Ų10053.6 Ų53.644%0.43529%0.291SS..EExtended strand (participates in β ladder)trans-115.7135.4172.5-63.1163.7-169.3162.20108.2P701 M708 V731 P732 G736P701-K738 VanDerWaalsContact CD-O 3.27Å; P701-K738 WeakPolarHBondContact CD-O 3.5Å; P701-K738 VanDerWaalsContact CG-O 3.28Å; P701-K738 WeakPolarHBondContact CG-O 3.25Å; M708-K738 HydrophobicContact CE-CB 4.44Å; M708-K738 WeakPolarHBondContact CE-O 3.25Å; V731-K738 CarbonylContact O-C 3.57Å; V731-K738 WeakPolarHBondContact O-CA 3.4Å; P732-K738 HydrophobicContact CB-CG 4.37Å; G736-K738 PolarHBondContact O-N 2.84Å
739K91.4Very high87.8Confident59 Ų5957.8 Ų57.826%0.25731%0.31SS..EExtended strand (participates in β ladder)trans-87.7142.6166.961.5-176.7176170.40109.9D698 V731 V733D698-K739 HydrophobicContact CB-CD 4.24Å; D698-K739 WeakPolarHBondContact OD2-CD 3.25Å; D698-K739 WeakPolarHBondContact OD2-CE 3.31Å; D698-K739 IonicContact OD2-NZ 3.22Å; D698-K739 PolarHBondContact OD2-NZ 2.96Å; V731-K739 HydrophobicContact CB-CG 3.95Å; V731-K739 PolarHBondContact N-O 3.33Å; V731-K739 PolarHBondContact O-N 2.82Å; V733-K739 HydrophobicContact CG2-CB 3.96Å; V733-K739 HydrophobicContact CG2-CD 3.71Å; V733-K739 HydrophobicContact CG2-CG 3.6Å
740L91.5Very high87.3Confident0 Ų057.7 Ų57.70%031%0.31CS..EExtended strand (participates in β ladder)trans-85.3113170177.670.7000107.8V699 M708 L711 E712 L730V699-L740 HydrophobicContact CB-CB 4.42Å; V699-L740 PolarHBondContact N-O 2.92Å; V699-L740 PolarHBondContact O-N 3.22Å; M708-L740 HydrophobicContact CE-CB 4.07Å; L711-L740 HydrophobicContact CD2-CB 3.92Å; L711-L740 HydrophobicContact CD2-CD2 3.39Å; L711-L740 HydrophobicContact CD2-CG 4.28Å; E712-L740 HydrophobicContact CB-CD1 4.35Å; E712-L740 HydrophobicContact CB-CD2 3.93Å; E712-L740 HydrophobicContact CG-CD2 4.41Å; L730-L740 HydrophobicContact CD2-CB 4.26Å; L730-L740 HydrophobicContact CD2-CD1 3.69Å
741Q92.1Very high86.7Confident22 Ų2253.8 Ų53.810%0.10329%0.29CS..EExtended strand (participates in β ladder)trans-100.9112.1172.3175.5163.560.200108.7L697 D698 S728 K729 V731L697-Q741 CarbonylContact O-C 3.59Å; L697-Q741 WeakPolarHBondContact O-CA 3.47Å; D698-Q741 WeakPolarHBondContact OD1-CB 2.99Å; D698-Q741 WeakPolarHBondContact OD1-CG 3.25Å; D698-Q741 PolarHBondContact OD1-NE2 2.9Å; S728-Q741 CarbonylContact C-O 3.57Å; S728-Q741 WeakPolarHBondContact CA-O 3.5Å; K729-Q741 HydrophobicContact CD-CG 4.37Å; K729-Q741 HydrophobicContact CG-CB 4.07Å; K729-Q741 HydrophobicContact CG-CG 4.21Å; K729-Q741 WeakPolarHBondContact CG-O 3.5Å; K729-Q741 PolarHBondContact N-O 3.09Å; K729-Q741 PolarHBondContact O-N 3.3Å; V731-Q741 HydrophobicContact CG2-CB 4.19Å
742I92.9Very high86.3Confident0 Ų053.6 Ų53.60%030%0.296CS..EExtended strand (participates in β ladder)trans-117.6135.2-176.5-169.3166.1000110.9L697 V715 R716 W725L697-I742 HydrophobicContact CB-CG2 4.1Å; L697-I742 PolarHBondContact N-O 2.85Å; L697-I742 PolarHBondContact O-N 3.25Å; V715-I742 HydrophobicContact CG1-CD1 4.01Å; V715-I742 HydrophobicContact CG1-CG2 4.22Å; R716-I742 HydrophobicContact CG-CD1 4.34Å; W725-I742 HydrophobicContact CD2-CD1 4.37Å; W725-I742 HydrophobicContact CE3-CD1 3.64Å; W725-I742 HydrophobicContact CE3-CG1 4.01Å; W725-I742 HydrophobicContact CZ3-CD1 4.1Å; W725-I742 HydrophobicContact CZ3-CG1 4.35Å; W725-I742 HydrophobicContact CZ3-CG2 4.14Å
743A92.6Very high85.9Confident13 Ų1351 Ų5111%0.10728%0.279CS..EExtended strand (participates in β ladder)trans-84.4139168.900000110.5I695 L696 G726 T727I695-A743 CarbonylContact O-C 3.6Å; I695-A743 WeakPolarHBondContact O-CA 3.48Å; L696-A743 HydrophobicContact CD2-CB 3.66Å; G726-A743 WeakPolarHBondContact CA-O 3.31Å; G726-A743 PolarHBondContact N-O 2.88Å; T727-A743 PolarHBondContact O-N 3.33Å
744C90.2Very high86Confident0 Ų051.6 Ų51.60%028%0.279CS..EExtended strand (participates in β ladder)trans-128.3155.2160.359.40000110.3S694 I695 L723 L724 W725S694-C744 CarbonylContact C-O 3.58Å; S694-C744 WeakPolarHBondContact CA-O 3.36Å; I695-C744 PolarHBondContact N-O 3.34Å; I695-C744 PolarHBondContact O-N 3.28Å; L723-C744 HydrophobicContact CD1-CB 3.86Å; L724-C744 CarbonylContact O-C 3.57Å; L724-C744 VanDerWaalsContact O-CA 3.32Å; L724-C744 WeakPolarHBondContact O-CA 3.21Å; W725-C744 HydrophobicContact CE3-CB 3.72Å; W725-C744 HydrophobicContact CH2-CB 4.48Å; W725-C744 HydrophobicContact CZ3-CB 3.69Å
745V90.1Very high86.3Confident38 Ų3853.9 Ų53.923%0.2328%0.283CS..EExtended strand (participates in β ladder)trans-117121.5168.1175.90000107.1K692 S693 L724 I778K692-V745 HydrophobicContact CB-CG1 4.46Å; S693-V745 CarbonylContact O-C 3.53Å; S693-V745 WeakPolarHBondContact O-CA 3.44Å; L724-V745 HydrophobicContact CB-CB 4.3Å; L724-V745 PolarHBondContact N-O 2.98Å; L724-V745 PolarHBondContact O-N 3.08Å; V745-I778 HydrophobicContact CG1-CD1 3.81Å; V745-I778 HydrophobicContact CG2-CD1 4.41Å
746V90.3Very high86.5Confident1 Ų143.2 Ų43.21%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-109.9153.6177.3-65.30000111.3K692 S693 I695 G722 L723 V751 L756K692-V746 WeakPolarHBondContact CA-O 3.45Å; K692-V746 WeakPolarHBondContact CB-O 3.08Å; S693-V746 PolarHBondContact N-O 2.9Å; S693-V746 PolarHBondContact O-N 3.47Å; S693-V746 WeakPolarHBondContact OG-CG2 3.38Å; I695-V746 HydrophobicContact CD1-CG2 3.87Å; I695-V746 HydrophobicContact CG1-CG2 4.4Å; G722-V746 CarbonylContact O-C 3.58Å; G722-V746 WeakPolarHBondContact O-CA 3.4Å; L723-V746 HydrophobicContact CD1-CG1 3.82Å; V746-V751 HydrophobicContact CB-CB 4.17Å; V746-V751 HydrophobicContact CB-CG1 4.43Å; V746-V751 HydrophobicContact CG1-CB 4.13Å; V746-V751 HydrophobicContact CG1-CG1 3.86Å; V746-L756 HydrophobicContact CG1-CD1 3.66Å
747E87.3Confident86.7Confident29 Ų2944.2 Ų44.214%0.13623%0.233CC..EExtended strand (participates in β ladder)trans-91.1109.7162.2-63.4-172.3158.600107.7I690 K692 G722 D749 K750 V751I690-E747 HydrophobicContact CG2-CB 3.7Å; I690-E747 HydrophobicContact CG2-CG 3.72Å; K692-E747 HydrophobicContact CG-CG 4.15Å; K692-E747 IonicContact NZ-OE1 2.63Å; K692-E747 PolarHBondContact NZ-OE1 3.46Å; G722-E747 PolarHBondContact O-N 3.26Å; G722-E747 VanDerWaalsContact O-N 3.11Å; E747-D749 PolarHBondContact O-N 2.97Å; E747-D749 VanDerWaalsContact O-N 3.1Å; E747-K750 HydrophobicContact CB-CB 4.46Å; E747-K750 PolarHBondContact O-N 3.28Å; E747-K750 WeakPolarHBondContact OE2-CE 3.34Å; E747-K750 IonicContact OE2-NZ 3.14Å; E747-K750 PolarHBondContact OE2-NZ 2.99Å; E747-V751 PolarHBondContact O-N 2.86Å
748D83.9Confident86.7Confident49 Ų4947.3 Ų47.326%0.26225%0.247SC..THydrogen-bonded Turntrans-55.7-32.5-171.2-63.8-7000111.7A691 S693 K750 K777A691-D748 HydrophobicContact CB-CB 4.17Å; A691-D748 PolarHBondContact O-N 2.96Å; S693-D748 VanDerWaalsContact CB-OD1 3.28Å; S693-D748 WeakPolarHBondContact CB-OD1 3.49Å; S693-D748 PolarHBondContact N-OD1 3.3Å; S693-D748 PolarHBondContact OG-OD1 3.47Å; D748-K750 VanDerWaalsContact C-N 3.25Å; D748-K750 PolarHBondContact O-N 3.45Å; D748-K777 IonicContact OD2-NZ 2.63Å; D748-K777 PolarHBondContact OD2-NZ 2.98Å
749D81.9Confident86.7Confident124 Ų12445.9 Ų45.966%0.66324%0.242SC*.THydrogen-bonded Turntrans-73.6-8.9-179.5-59.4-41.3000114.2E747E747-D749 PolarHBondContact O-N 2.97Å; E747-D749 VanDerWaalsContact O-N 3.1Å
750K78.6Confident86.4Confident104 Ų10443.1 Ų43.145%0.45223%0.23SC..THydrogen-bonded Turntrans-128.5-39-173.9-67.6-174.1178.7-179.40114.7D721 E747 D748D721-K750 VanDerWaalsContact CG-NZ 3.26Å; D721-K750 IonicContact OD1-NZ 2.76Å; D721-K750 PolarHBondContact OD1-NZ 3.28Å; D721-K750 VanDerWaalsContact OD1-NZ 3.14Å; D721-K750 WeakPolarHBondContact OD2-CD 3.32Å; D721-K750 WeakPolarHBondContact OD2-CE 2.97Å; D721-K750 IonicContact OD2-NZ 2.64Å; D721-K750 PolarHBondContact OD2-NZ 3.43Å; E747-K750 HydrophobicContact CB-CB 4.46Å; E747-K750 PolarHBondContact O-N 3.28Å; E747-K750 WeakPolarHBondContact OE2-CE 3.34Å; E747-K750 IonicContact OE2-NZ 3.14Å; E747-K750 PolarHBondContact OE2-NZ 2.99Å; D748-K750 VanDerWaalsContact C-N 3.25Å; D748-K750 PolarHBondContact O-N 3.45Å
751V78.8Confident86.1Confident3 Ų346.1 Ų46.12%0.01825%0.248CC..  trans-120.7101-174.9-175.60000108.2A720 D721 L723 V746 E747 L756A720-V751 HydrophobicContact CB-CG2 4.07Å; D721-V751 WeakPolarHBondContact O-CG2 2.97Å; L723-V751 HydrophobicContact CB-CG2 4.41Å; V746-V751 HydrophobicContact CB-CB 4.17Å; V746-V751 HydrophobicContact CB-CG1 4.43Å; V746-V751 HydrophobicContact CG1-CB 4.13Å; V746-V751 HydrophobicContact CG1-CG1 3.86Å; E747-V751 PolarHBondContact O-N 2.86Å; V751-L756 HydrophobicContact CG1-CD1 4.38Å; V751-L756 HydrophobicContact CG1-CD2 3.9Å; V751-L756 HydrophobicContact CG1-CG 4.01Å
752G79.4Confident85.9Confident39 Ų3950.7 Ų50.740%0.40227%0.268SS..  trans-64.9147.7169.200000111D754 L755G752-D754 PolarHBondContact O-N 3.46Å; G752-L755 PolarHBondContact O-N 3.12Å
753T81Confident85.3Confident49 Ų4953.3 Ų53.330%0.30128%0.279SS..Hα-helixtrans-53.4-42171.8400000111.8I695 L755 L756 E757 F775I695-T753 HydrophobicContact CD1-CG2 3.59Å; T753-L755 VanDerWaalsContact C-N 3.29Å; T753-L755 PolarHBondContact O-N 2.9Å; T753-L756 WeakPolarHBondContact O-CB 3.09Å; T753-L756 PolarHBondContact O-N 3.4Å; T753-E757 PolarHBondContact O-N 3.49Å; T753-F775 HydrophobicContact CG2-CE2 4.31Å
754D86Confident84.7Confident103 Ų10359.7 Ų59.755%0.55131%0.307SS*.Hα-helixtrans-65.7-34.6-172-43.6-11000110.8G752 L756 E757 E758G752-D754 PolarHBondContact O-N 3.46Å; D754-L756 VanDerWaalsContact C-N 3.31Å; D754-L756 PolarHBondContact O-N 3.28Å; D754-E757 PolarHBondContact O-N 3.26Å; D754-E758 WeakPolarHBondContact O-CB 3.5Å; D754-E758 WeakPolarHBondContact O-CG 3.48Å; D754-E758 PolarHBondContact O-N 2.81Å
755L86.9Confident84.2Confident81 Ų8166.6 Ų66.642%0.42434%0.344SS..Hα-helixtrans-64.2-35174.2-177.567.3000112.2G752 T753 E759G752-L755 PolarHBondContact O-N 3.12Å; T753-L755 VanDerWaalsContact C-N 3.29Å; T753-L755 PolarHBondContact O-N 2.9Å; L755-E759 WeakPolarHBondContact O-CB 3.39Å; L755-E759 PolarHBondContact O-N 3.44Å
756L84.8Confident83.8Confident3 Ų368.7 Ų68.72%0.01635%0.348CS..Hα-helixtrans-73.3-40.9175.5-59.7-177.7000111.3L723 V746 V751 T753 D754 E759 I760L723-L756 HydrophobicContact CD1-CD1 3.93Å; L723-L756 HydrophobicContact CD1-CD2 3.81Å; L723-L756 HydrophobicContact CD2-CD2 3.6Å; L723-L756 HydrophobicContact CG-CD2 4.28Å; V746-L756 HydrophobicContact CG1-CD1 3.66Å; V751-L756 HydrophobicContact CG1-CD1 4.38Å; V751-L756 HydrophobicContact CG1-CD2 3.9Å; V751-L756 HydrophobicContact CG1-CG 4.01Å; T753-L756 WeakPolarHBondContact O-CB 3.09Å; T753-L756 PolarHBondContact O-N 3.4Å; D754-L756 VanDerWaalsContact C-N 3.31Å; D754-L756 PolarHBondContact O-N 3.28Å; L756-E759 PolarHBondContact O-N 3.05Å; L756-I760 WeakPolarHBondContact O-CB 3.15Å; L756-I760 WeakPolarHBondContact O-CD1 3.5Å; L756-I760 WeakPolarHBondContact O-CG1 3.47Å; L756-I760 PolarHBondContact O-N 3.13Å
757E85.8Confident83.6Confident69 Ų6969 Ų6932%0.32235%0.35SS..Hα-helixtrans-62.1-45.4175.3-68.2-177.7-170.300110.6T753 D754 I760 T761 V772T753-E757 PolarHBondContact O-N 3.49Å; D754-E757 PolarHBondContact O-N 3.26Å; E757-I760 PolarHBondContact O-N 3.37Å; E757-T761 VanDerWaalsContact O-CB 3.29Å; E757-T761 WeakPolarHBondContact O-CB 3.4Å; E757-T761 VanDerWaalsContact O-CG2 3.23Å; E757-T761 WeakPolarHBondContact O-CG2 3.41Å; E757-T761 PolarHBondContact O-N 3.3Å; E757-T761 PolarHBondContact O-OG1 2.9Å; E757-V772 VanDerWaalsContact OE1-CG2 3.3Å; E757-V772 WeakPolarHBondContact OE1-CG2 3.2Å
758E87.9Confident83.6Confident107 Ų10771.3 Ų71.350%0.536%0.361SS..Hα-helixtrans-58.6-49.2172.8-77.3-176.9-162.900112.8D754 I760 T761 K762D754-E758 WeakPolarHBondContact O-CB 3.5Å; D754-E758 WeakPolarHBondContact O-CG 3.48Å; D754-E758 PolarHBondContact O-N 2.81Å; E758-I760 VanDerWaalsContact C-N 3.33Å; E758-I760 PolarHBondContact O-N 3.26Å; E758-T761 WeakPolarHBondContact CA-OG1 3.47Å; E758-T761 PolarHBondContact O-N 3.29Å; E758-T761 PolarHBondContact O-OG1 3.41Å; E758-K762 WeakPolarHBondContact O-CE 3.31Å; E758-K762 VanDerWaalsContact O-CG 3.24Å; E758-K762 WeakPolarHBondContact O-CG 3.09Å; E758-K762 PolarHBondContact O-N 3.48Å
759E87.1Confident83.8Confident71 Ų7170.7 Ų70.733%0.33236%0.361SS..Hα-helixtrans-70.2-31-175.9-156.671.3-177.900112.5V718 L755 L756 K762 F763V718-E759 HydrophobicContact CB-CG 4.28Å; V718-E759 HydrophobicContact CG1-CB 4.11Å; V718-E759 HydrophobicContact CG1-CG 3.75Å; V718-E759 HydrophobicContact CG2-CB 4.24Å; V718-E759 HydrophobicContact CG2-CG 3.58Å; L755-E759 WeakPolarHBondContact O-CB 3.39Å; L755-E759 PolarHBondContact O-N 3.44Å; L756-E759 PolarHBondContact O-N 3.05Å; E759-K762 WeakPolarHBondContact OE2-CD 3.48Å; E759-K762 IonicContact OE2-NZ 3.35Å; E759-K762 PolarHBondContact OE2-NZ 3.19Å; E759-F763 VanDerWaalsContact O-CD2 3.32Å; E759-F763 WeakPolarHBondContact O-CD2 3.48Å; E759-F763 VanDerWaalsContact O-CE2 3.25Å; E759-F763 WeakPolarHBondContact O-CE2 3.28Å
760I86.4Confident84.2Confident0 Ų065.9 Ų65.90%034%0.336CS..Hα-helixtrans-78.2-38.8175.5-60.3163.5000111.1L697 V699 V715 W725 L756 E757 E758 K762 F763 V767 V770L697-I760 HydrophobicContact CD1-CD1 3.76Å; V699-I760 HydrophobicContact CG1-CG2 4.18Å; V699-I760 HydrophobicContact CG2-CG2 4.05Å; V715-I760 HydrophobicContact CG1-CD1 4.31Å; V715-I760 HydrophobicContact CG1-CG1 4.36Å; V715-I760 HydrophobicContact CG2-CG1 4.46Å; V715-I760 HydrophobicContact CG2-CG2 4.08Å; W725-I760 HydrophobicContact CH2-CD1 4.16Å; L756-I760 WeakPolarHBondContact O-CB 3.15Å; L756-I760 WeakPolarHBondContact O-CD1 3.5Å; L756-I760 WeakPolarHBondContact O-CG1 3.47Å; L756-I760 PolarHBondContact O-N 3.13Å; E757-I760 PolarHBondContact O-N 3.37Å; E758-I760 VanDerWaalsContact C-N 3.33Å; E758-I760 PolarHBondContact O-N 3.26Å; I760-K762 VanDerWaalsContact C-N 3.31Å; I760-K762 PolarHBondContact O-N 3.43Å; I760-F763 PolarHBondContact O-N 3.4Å; I760-V767 HydrophobicContact CG2-CG2 4.42Å; I760-V770 HydrophobicContact CB-CG2 3.98Å; I760-V770 HydrophobicContact CG2-CG2 3.42Å; I760-V770 VanDerWaalsContact CG2-CG2 3.42Å
761T83.4Confident84.7Confident64 Ų6465.2 Ų65.239%0.39334%0.337SS..Hα-helixtrans-70.1-25.5178.7510000113E757 E758 F763 E764 V770E757-T761 VanDerWaalsContact O-CB 3.29Å; E757-T761 WeakPolarHBondContact O-CB 3.4Å; E757-T761 VanDerWaalsContact O-CG2 3.23Å; E757-T761 WeakPolarHBondContact O-CG2 3.41Å; E757-T761 PolarHBondContact O-N 3.3Å; E757-T761 PolarHBondContact O-OG1 2.9Å; E758-T761 WeakPolarHBondContact CA-OG1 3.47Å; E758-T761 PolarHBondContact O-N 3.29Å; E758-T761 PolarHBondContact O-OG1 3.41Å; T761-F763 PolarHBondContact O-N 2.79Å; T761-E764 VanDerWaalsContact O-CG 3.22Å; T761-E764 WeakPolarHBondContact O-CG 3.16Å; T761-E764 PolarHBondContact O-N 2.98Å; T761-V770 HydrophobicContact CG2-CB 4.4Å; T761-V770 HydrophobicContact CG2-CG2 3.83Å
762K87.6Confident85.3Confident117 Ų11768.4 Ų68.451%0.50936%0.356SS..THydrogen-bonded Turntrans-55.2-21.7168.9-77.3164.5-152.2168.60113.8E758 E759 I760 E764E758-K762 WeakPolarHBondContact O-CE 3.31Å; E758-K762 VanDerWaalsContact O-CG 3.24Å; E758-K762 WeakPolarHBondContact O-CG 3.09Å; E758-K762 PolarHBondContact O-N 3.48Å; E759-K762 WeakPolarHBondContact OE2-CD 3.48Å; E759-K762 IonicContact OE2-NZ 3.35Å; E759-K762 PolarHBondContact OE2-NZ 3.19Å; I760-K762 VanDerWaalsContact C-N 3.31Å; I760-K762 PolarHBondContact O-N 3.43Å; K762-E764 PolarHBondContact O-N 3.48Å
763F81.8Confident85.8Confident55 Ų5568.7 Ų68.724%0.24136%0.355CS..  trans-82.648.6172.2-59.3-71.7000112.3C714 V718 E759 I760 T761 D765 Y766 V767C714-F763 HydrophobicContact CB-CD1 4.06Å; C714-F763 HydrophobicContact CB-CD2 4.31Å; C714-F763 HydrophobicContact CB-CE1 3.96Å; C714-F763 HydrophobicContact CB-CE2 4.22Å; C714-F763 HydrophobicContact CB-CG 4.23Å; C714-F763 HydrophobicContact CB-CZ 4.05Å; V718-F763 HydrophobicContact CG2-CE2 4.05Å; E759-F763 VanDerWaalsContact O-CD2 3.32Å; E759-F763 WeakPolarHBondContact O-CD2 3.48Å; E759-F763 VanDerWaalsContact O-CE2 3.25Å; E759-F763 WeakPolarHBondContact O-CE2 3.28Å; I760-F763 PolarHBondContact O-N 3.4Å; T761-F763 PolarHBondContact O-N 2.79Å; F763-D765 PolarHBondContact O-N 3.01Å; F763-D765 VanDerWaalsContact O-N 3.08Å; F763-Y766 PolarHBondContact O-N 2.84Å; F763-V767 HydrophobicContact CB-CG2 4.17Å; F763-V767 PolarHBondContact O-N 3.36Å
764E78.6Confident86.2Confident147 Ų14767.9 Ų67.969%0.68735%0.353SS*.THydrogen-bonded Turntrans-53.8-30.5-176.9-62.6-173.9171.600113.2W702 T761 K762 Y766W702-E764 PolarHBondContact NE1-O 2.85Å; T761-E764 VanDerWaalsContact O-CG 3.22Å; T761-E764 WeakPolarHBondContact O-CG 3.16Å; T761-E764 PolarHBondContact O-N 2.98Å; K762-E764 PolarHBondContact O-N 3.48Å; E764-Y766 PolarHBondContact O-N 3.37Å
765D81.6Confident86.5Confident145 Ų14568 Ų6878%0.77535%0.349SS*.THydrogen-bonded Turntrans-62.1-27.3176.8-70.1-32.8000113.8F763F763-D765 PolarHBondContact O-N 3.01Å; F763-D765 VanDerWaalsContact O-N 3.08Å
766Y80.7Confident86.7Confident82 Ų8268.4 Ų68.432%0.32235%0.352SS..THydrogen-bonded Turntrans-116.4-27.1-174.2-62.8-85000112.8P701 T706 L711 F763 E764P701-Y766 WeakPolarHBondContact CA-O 3.24Å; T706-Y766 HydrophobicContact CG2-CD1 4.01Å; L711-Y766 WeakPolarHBondContact CD1-O 3.42Å; F763-Y766 PolarHBondContact O-N 2.84Å; E764-Y766 PolarHBondContact O-N 3.37Å
767V86.6Confident86.9Confident9 Ų974.9 Ų74.96%0.05538%0.38CS..EExtended strand (participates in β ladder)trans-109.2122.3-172.4-179.20000110.4V699 W702 L711 I760 F763 S769 V770V699-V767 HydrophobicContact CG1-CB 4.19Å; V699-V767 HydrophobicContact CG1-CG1 3.62Å; V699-V767 HydrophobicContact CG1-CG2 3.56Å; W702-V767 PolarHBondContact NE1-O 3.12Å; W702-V767 VanDerWaalsContact NE1-O 3.14Å; L711-V767 HydrophobicContact CD1-CG2 4.37Å; L711-V767 HydrophobicContact CG-CG2 4.44Å; I760-V767 HydrophobicContact CG2-CG2 4.42Å; F763-V767 HydrophobicContact CB-CG2 4.17Å; F763-V767 PolarHBondContact O-N 3.36Å; V767-S769 WeakPolarHBondContact CG1-O 3.32Å; V767-V770 HydrophobicContact CG1-CG2 3.85Å
768Q87.3Confident86.7Confident77 Ų7778.1 Ų78.136%0.3640%0.398SS..EExtended strand (participates in β ladder)trans-82.7-42170.5172.2172.6100.300111.9K700 W702K700-Q768 WeakPolarHBondContact O-CB 3.13Å; K700-Q768 PolarHBondContact O-N 3.37Å; W702-Q768 HydrophobicContact CD2-CB 3.86Å; W702-Q768 HydrophobicContact CD2-CG 4.41Å; W702-Q768 HydrophobicContact CE3-CB 4.09Å; W702-Q768 HydrophobicContact CE3-CG 4.15Å; W702-Q768 VanDerWaalsContact CE3-NE2 3.3Å; W702-Q768 HydrophobicContact CG-CB 4.24Å; W702-Q768 HydrophobicContact CH2-CG 4.34Å; W702-Q768 HydrophobicContact CZ2-CB 4.39Å; W702-Q768 HydrophobicContact CZ3-CB 4.44Å; W702-Q768 HydrophobicContact CZ3-CG 4.11Å
769S86.9Confident86.6Confident36 Ų3676.7 Ų76.725%0.25239%0.393SS..EExtended strand (participates in β ladder)trans-156.8156.2177.365.90000111.4K700 V767 D771K700-S769 PolarHBondContact N-O 3.43Å; K700-S769 PolarHBondContact O-N 2.73Å; V767-S769 WeakPolarHBondContact CG1-O 3.32Å; S769-D771 PolarHBondContact OG-OD2 3.3Å
770V90.3Very high86.6Confident23 Ų2376.9 Ų76.914%0.13940%0.396CS..EExtended strand (participates in β ladder)trans-116.9129.2168.6-175.80000107.1L697 I760 T761 V767L697-V770 HydrophobicContact CD2-CG1 4.26Å; I760-V770 HydrophobicContact CB-CG2 3.98Å; I760-V770 HydrophobicContact CG2-CG2 3.42Å; I760-V770 VanDerWaalsContact CG2-CG2 3.42Å; T761-V770 HydrophobicContact CG2-CB 4.4Å; T761-V770 HydrophobicContact CG2-CG2 3.83Å; V767-V770 HydrophobicContact CG1-CG2 3.85Å
771D90.6Very high86.6Confident89 Ų8981.2 Ų81.248%0.47642%0.418SS..EExtended strand (participates in β ladder)trans-125.3133.8179.9-68.7-76.2000109.9D698 S769 A773D698-D771 HydrophobicContact CB-CB 4.28Å; D698-D771 PolarHBondContact N-O 3.07Å; D698-D771 PolarHBondContact O-N 2.89Å; S769-D771 PolarHBondContact OG-OD2 3.3Å; D771-A773 PolarHBondContact O-N 2.68Å
772V90.3Very high86.8Confident70 Ų7082.2 Ų82.242%0.42442%0.419SS..EExtended strand (participates in β ladder)trans-76.7105.8171.6-178.90000109.3I695 L697 E757 F775I695-V772 HydrophobicContact CG2-CG1 4.07Å; L697-V772 HydrophobicContact CD2-CG2 4.07Å; E757-V772 VanDerWaalsContact OE1-CG2 3.3Å; E757-V772 WeakPolarHBondContact OE1-CG2 3.2Å; V772-F775 HydrophobicContact CG1-CB 4.43Å
773A89.7Confident86.7Confident46 Ų4680.1 Ų80.138%0.3841%0.414SS..EExtended strand (participates in β ladder)trans-80-31.7-178.600000113.3L696 D698 D771L696-A773 HydrophobicContact CB-CB 4.17Å; L696-A773 WeakPolarHBondContact O-CB 3.14Å; L696-A773 PolarHBondContact O-N 3.34Å; D698-A773 HydrophobicContact CB-CB 4.25Å; D698-A773 VanDerWaalsContact CG-CB 3.5Å; D698-A773 WeakPolarHBondContact OD1-CB 3.03Å; D771-A773 PolarHBondContact O-N 2.68Å
774A90.4Very high87.1Confident32 Ų3281.7 Ų81.726%0.26443%0.425SS..EExtended strand (participates in β ladder)trans-160.7149.6170.300000111L696L696-A774 HydrophobicContact CB-CB 4.17Å; L696-A774 HydrophobicContact CD1-CB 4.04Å; L696-A774 HydrophobicContact CG-CB 4.34Å; L696-A774 PolarHBondContact N-O 3.35Å; L696-A774 PolarHBondContact O-N 2.85Å
775F91.5Very high87.7Confident106 Ų10677.1 Ų77.147%0.46541%0.406SS..EExtended strand (participates in β ladder)trans-128.7120.6173.4-179.5-87.4000109S693 I695 T753 V772S693-F775 WeakPolarHBondContact OG-CE2 3.42Å; I695-F775 HydrophobicContact CD1-CD2 3.89Å; I695-F775 HydrophobicContact CD1-CE2 3.85Å; I695-F775 HydrophobicContact CG1-CD2 3.79Å; I695-F775 HydrophobicContact CG1-CE2 4.03Å; I695-F775 HydrophobicContact CG2-CD2 4.49Å; T753-F775 HydrophobicContact CG2-CE2 4.31Å; V772-F775 HydrophobicContact CG1-CB 4.43Å
776N91.4Very high88.1Confident88 Ų8871.8 Ų71.847%0.47138%0.378SS..EExtended strand (participates in β ladder)trans-125.1124.4178.7-62.6-63.6000109.7S693 S694S693-N776 CarbonylContact C-O 3.54Å; S693-N776 WeakPolarHBondContact CA-O 3.39Å; S694-N776 PolarHBondContact N-O 2.99Å; S694-N776 PolarHBondContact O-N 3.19Å
777K89.2Confident88.8Confident139 Ų13971 Ų7160%0.60438%0.383SS*.EExtended strand (participates in β ladder)trans-79.1138.8170.6-157.6-179.3-175.482.80110D748D748-K777 IonicContact OD2-NZ 2.63Å; D748-K777 PolarHBondContact OD2-NZ 2.98Å
778I81.3Confident89Confident137 Ų13776.6 Ų76.670%0.70341%0.413SS*.  trans-132.10-176.164.6169.1000112.8K692 V745K692-I778 HydrophobicContact CB-CD1 4.01Å; K692-I778 HydrophobicContact CB-CG1 3.55Å; K692-I778 PolarHBondContact O-N 3.22Å; V745-I778 HydrophobicContact CG1-CD1 3.81Å; V745-I778 HydrophobicContact CG2-CD1 4.41Å

Retrieved 778 of 778 residues in 523.3 ms (Link to these results)