A0A096MRI3_PAPAN Loading...

Spliceosome associated factor 1, recruiter of U4/U6.U5 tri-snRNP

AlphaFold DB (A0A2K5LZA9), UniProt , Accession A0A096MRI3, Species PAPAN (Papio anubis, Olive baboon), Gene SART1, Length 800 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38Very low37.1Very low248 Ų248152.5 Ų152.5100%1.22281%0.814SS**  0152.50-69.8178.2172.300108.3
2G32.9Very low36.8Very low80 Ų80155.3 Ų155.383%0.82582%0.818SS**  trans77145.8168.900000115.6
3S39.7Very low36.6Very low117 Ų117149.3 Ų149.382%0.81880%0.804SS**  trans-138.2172-175.8-57.40000111
4S38.3Very low36.4Very low102 Ų102149.4 Ų149.471%0.71381%0.813SS**  trans80.2149.5165-61.70000117.4
5K43Very low36Very low174 Ų174143.3 Ų143.376%0.75780%0.799SS**  cis-163.1157.8-10.5-114.6167.7-174171.90111.3
6K41.4Very low35.7Very low159 Ų159142.8 Ų142.869%0.69180%0.8SS**  trans20.8158131.6-64.2-169.6169.8-166.50120.2
7H38.2Very low35.6Very low182 Ų182142.5 Ų142.584%0.84380%0.804SS**  cis-174.6179.6-2-11121.9000105.9
8R35Very low35.3Very low186 Ų186139.8 Ų139.870%0.70280%0.802SS**  cis-170.7140.5-30168-171.8175.2-156.72.5103.8E10R8-E10 IonicContact CZ-OE2 3.09Å; R8-E10 IonicContact NE-OE2 2.73Å; R8-E10 PolarHBondContact NE-OE2 3.39Å; R8-E10 IonicContact NH2-OE1 3.78Å; R8-E10 IonicContact NH2-OE2 2.65Å; R8-E10 PolarHBondContact NH2-OE2 3.03Å
9G29Very low35.1Very low78 Ų78137.8 Ų137.880%0.80480%0.804SS**  trans-160.7109.9173.700000114.5
10E36Very low34.9Very low142 Ų142135.8 Ų135.866%0.66480%0.804SS**  trans-120.3157.8170-69.6147.698.400108.7R8R8-E10 IonicContact CZ-OE2 3.09Å; R8-E10 IonicContact NE-OE2 2.73Å; R8-E10 PolarHBondContact NE-OE2 3.39Å; R8-E10 IonicContact NH2-OE1 3.78Å; R8-E10 IonicContact NH2-OE2 2.65Å; R8-E10 PolarHBondContact NH2-OE2 3.03Å
11K36.2Very low34.7Very low210 Ų210133.9 Ų133.991%0.91380%0.798SS**  trans-157.6139.8150.7-118.6173.6-175.7-174.70114.5
12E33.9Very low34.5Very low186 Ų186129.2 Ų129.287%0.86978%0.783SS**  trans-79176.8169.8-67.2168.9149.400110.8
13A34.8Very low34.4Very low77 Ų77129.2 Ų129.264%0.63678%0.783SS**  cis-176.7-165.8-27.200000107.2
14T32.7Very low33.9Very low150 Ų150127.6 Ų127.692%0.9279%0.785SS**  trans70152.8171.283.20000117.4
15G30.6Very low33.6Very low59 Ų59127.2 Ų127.261%0.60879%0.788SS**  cis175.4142.7-14.900000116.7
16T31.1Very low33.2Very low134 Ų134125.3 Ų125.382%0.82279%0.791SS**  trans62.1152.6143.352.60000124.2
17T33.5Very low32.8Very low139 Ų139126.6 Ų126.685%0.85380%0.799SS**  trans91.5148.3166.772.40000118.6
18A30.7Very low32.6Very low94 Ų94126.6 Ų126.678%0.77780%0.8SS**  cis-167144.7-3200000113.7
19A30.9Very low32.8Very low101 Ų101122.3 Ų122.384%0.83580%0.796SS**  trans72152.9147.900000123.7
20A31.9Very low33.4Very low97 Ų97124.9 Ų124.980%0.80280%0.799SS**  trans67.6144.4162.500000120.5
21S29.9Very low33.2Very low97 Ų97129.9 Ų129.968%0.67881%0.811SS**  cis-177157.6-36.845.70000110.6
22T35Very low33Very low149 Ų149128.8 Ų128.891%0.91481%0.809SS**  trans77.3142.417574.80000116.4
23G30.3Very low33Very low80 Ų80131.6 Ų131.683%0.82581%0.812SS**  cis177.4164.7-7.900000112.5
24G29.7Very low32.9Very low83 Ų83135 Ų13586%0.85681%0.814SS**  trans111.7154.9178.200000114.7
25A32.4Very low32.9Very low94 Ų94134 Ų13478%0.77780%0.799SS**  trans-150.2-174.3-171.900000112.7
26T34.3Very low32.9Very low134 Ų134139.3 Ų139.382%0.82281%0.806SS**  trans84.4143.2-165.580.20000113.9
27E33.7Very low33Very low186 Ų186140.2 Ų140.287%0.86980%0.798SS**  cis-142.4-177.32.8-143164.6-141.300112.9
28Q33.3Very low33Very low183 Ų183141 Ų14186%0.85579%0.791SS**  trans-105.9164.2-166-87.9-106-17.500114.8
29P40Very low33.1Very low96 Ų96144.9 Ų144.962%0.62379%0.791SS**PPolyproline II helixtrans-90.6164.6-156.835.5-36.3000116.4
30P39.7Very low33.1Very low131 Ų131147 Ų14785%0.85178%0.783SS**PPolyproline II helixtrans-72.2151.9-17629.3-36.9000114.7
31R33.3Very low33.1Very low247 Ų247153.5 Ų153.593%0.93279%0.787SS**PPolyproline II helixtrans-99.8126.4179.3-69.9-178171.7-177.5-2.3112.9
32H30.8Very low33.1Very low188 Ų188153.8 Ų153.887%0.8779%0.789SS**PPolyproline II helixtrans-65.9155.9162.1-99.5-103.8000112.2
33R35.7Very low33Very low244 Ų244150.7 Ų150.792%0.92179%0.787SS**  trans-148.9141.9163-151173.6-169.1171.83.9112.8
34E30.8Very low32.9Very low148 Ų148150.4 Ų150.469%0.69278%0.784SS**  trans-134.7-174.5178.7-71.1-153.37700110.1
35H34.2Very low32.9Very low129 Ų129152.8 Ų152.860%0.59779%0.787SS**  cis-157.2-179.512.4-169.461.8000109.8
36K30.1Very low32.7Very low172 Ų172151.9 Ų151.975%0.74879%0.787SS**  trans94.1124162.2-58.6161.3-177.1168.30114.3
37K33.9Very low32.4Very low153 Ų153148.5 Ų148.567%0.66578%0.779SS**  74138.957.6-69.5171.9168.9172.40111.4
38H33.7Very low32.3Very low154 Ų154146.2 Ų146.271%0.71378%0.784SS**  cis-132.3-165.913-80.9-81.9000109.9
39K31Very low32.1Very low177 Ų177140.9 Ų140.977%0.7778%0.778SS**  cis-163.216020.4-153.7160.8-177.2177.10113.4
40H32.1Very low31.6Very low144 Ų144139.9 Ų139.967%0.66779%0.785SS**  trans-15.1164.5161.9-51.4-38000120.4
41R32Very low31.2Very low234 Ų234140.6 Ų140.688%0.88378%0.777SS**  cis-162.3-173.211.6-128.3-178.9-170.5170.62.2106.5
42S29.6Very low31.1Very low103 Ų103137.1 Ų137.172%0.7276%0.764SS**  cis-167.7142.2-5.131.90000110.6
43G31.7Very low31.2Very low85 Ų85137.1 Ų137.188%0.87676%0.756SS**  trans86.2149.2157.700000117.3
44G28.5Very low31Very low73 Ų73134.1 Ų134.175%0.75375%0.75SS**  cis158.9126.5-11.600000114.4
45S30Very low30.9Very low133 Ų133138.5 Ų138.593%0.9376%0.76SS**  trans62.7147.4-175.1-118.20000114.3
46G29.5Very low30.7Very low75 Ų75137.3 Ų137.377%0.77377%0.766SS**  cis107.6138.124.700000108.7
47G27.7Very low30.7Very low64 Ų64139.3 Ų139.366%0.6677%0.769SS**  cis164.4148.3-1.100000109.2
48S30.4Very low30.4Very low138 Ų138139.5 Ų139.597%0.96577%0.772SS**  trans63.9163.9-171.383.20000114.8
49G29.1Very low30.1Very low70 Ų70143.1 Ų143.172%0.72278%0.779SS**  cis164.9128.5-10.600000112.8
50G29.8Very low29.9Very low75 Ų75138.6 Ų138.677%0.77378%0.783SS**  trans71.6174.4177.600000115.3
51E31.9Very low29.8Very low147 Ų147135.2 Ų135.269%0.68779%0.788SS**  cis-153.9144.3-21.2-127.5-15795.200112.7
52R31.6Very low29.6Very low174 Ų174132 Ų13266%0.65778%0.783SS**  trans40.2122.9147.4-75.3-169.2-167.9133.5-5.8122.5
53R31.7Very low29.5Very low188 Ų188138.2 Ų138.271%0.70979%0.79SS**  95120.4120.2-76.2172.5175.5168.20.6121.6
54K32.1Very low29.4Very low180 Ų180137.2 Ų137.278%0.78378%0.78SS**  trans64124.8133.6-61.7179.6178.7-170.50119.1
55R28.9Very low29.5Very low240 Ų240140 Ų14091%0.90679%0.788SS**  -163.6177.896.5-108.4171.3179.1166.9-0.5113.5
56S29.6Very low29.5Very low104 Ų104136.9 Ų136.973%0.72778%0.776SS**  trans-35.5163.5172.635.40000116.9
57R30.2Very low29.5Very low215 Ų215143.7 Ų143.781%0.81178%0.779SS**  cis138.3150.14.7-165.3-174.1-168.9149.74.5104
58E26.7Very low29.7Very low156 Ų156151 Ų15173%0.72979%0.786SS**  trans68161.2170.7-72.6158.3-122.600117.4
59R28.5Very low29.6Very low230 Ų230147.6 Ų147.687%0.86877%0.773SS**  cis-168.7127.2-35.4-174.1175.3-167.11771.1109.7
60G25.6Very low29.7Very low82 Ų82149 Ų14985%0.84578%0.779SS**  trans74.6169.3175.600000114.8
61G29.9Very low29.7Very low74 Ų74154.9 Ų154.976%0.76379%0.786SS**  cis148.184.1-12.400000115.6
62E27.8Very low29.7Very low167 Ų167152.7 Ų152.778%0.7879%0.793SS**  trans-135.4136.3164.6-75.9-157.5112.100108
63R28.2Very low29.8Very low232 Ų232154 Ų15488%0.87581%0.807SS**  5912169.6-61.7174.6171.2179.1-3.5111.5
64G29.5Very low29.7Very low64 Ų64149.2 Ų149.266%0.6681%0.807SS**  cis168.6-166.6-4.600000112.4
65S31.2Very low29.7Very low133 Ų133153 Ų15393%0.9382%0.816SS**  trans64.9140.4176.971.60000117.2
66G28.8Very low29.6Very low66 Ų66146.6 Ų146.668%0.6881%0.808SS**  cis143.1149.9-18.800000115
67R31.3Very low29.6Very low219 Ų219147.6 Ų147.683%0.82682%0.815SS**  trans73.3148.5176.3-58.4179174-171.5-2.5113.8
68R30.3Very low29.7Very low216 Ų216142.5 Ų142.582%0.81581%0.808SS**  cis-157.6166.80.2-125.7167.7-176.5-178.8-3.9110.3
69G29.8Very low29.8Very low67 Ų67144.9 Ų144.969%0.69182%0.819SS**  trans98.9126.8-17500000110.9
70A30.5Very low29.8Very low101 Ų101137.4 Ų137.484%0.83581%0.814SS**  cis58.8132.517.800000113.5
71E29.6Very low30.1Very low198 Ų198145.2 Ų145.293%0.92582%0.818SS**  cis-120.3164.218.7-66.1166.6158.100113.7
72A32.4Very low30.1Very low101 Ų101150.9 Ų150.984%0.83582%0.824SS**  trans-156.2112.4167.800000109.3
73E32.7Very low30.1Very low202 Ų202154.1 Ų154.194%0.94483%0.829SS**  trans-74.9156.4173.6-73.3-149.3123.200112.1
74A31.2Very low30.3Very low87 Ų87148.5 Ų148.572%0.71983%0.826SS**  trans-102.2141.6176.600000111.5
75R30.2Very low30.4Very low258 Ų258153.5 Ų153.597%0.97483%0.832SS**  trans-157.9116.9137.6-101.7141.8-158.5-127.23.8110.2
76S28.8Very low30.3Very low106 Ų106151.8 Ų151.874%0.74183%0.826SS**  trans-86.1130.4171.249.10000110
77S28.7Very low30.5Very low125 Ų125156.5 Ų156.587%0.87483%0.83SS**  trans-81.1147.7162.254.20000110.5
78T31.8Very low30.6Very low108 Ų108151.5 Ų151.566%0.66383%0.826SS**  trans-134.4109.5-170.149.30000111.7
79H30.1Very low30.7Very low207 Ų207146.8 Ų146.896%0.95883%0.826SS**  trans-161.1150.5150.8-75.1-50.9000107.1
80G27.9Very low30.8Very low73 Ų73152.5 Ų152.575%0.75384%0.835SS**  cis-172.7115.9-11.700000105.6
81R31.4Very low30.8Very low246 Ų246159.3 Ų159.393%0.92884%0.839SS**  trans-128.9110.1-168.8-167.8178.3-173.7-1641.1110.9
82E29.1Very low30.8Very low192 Ų192161.6 Ų161.690%0.89784%0.839SS**  trans-58.3144.9177.5-61.7-174.811900111.9
83R29.7Very low30.8Very low235 Ų235163.1 Ų163.189%0.88784%0.838SS**  trans-130.494.7179.4-176.5-177.1-178.9-169.6-0.8108.5
84S31.8Very low30.7Very low115 Ų115162.4 Ų162.480%0.80483%0.831SS**  trans-58.2138.3164.443.10000109.9
85Q31Very low30.7Very low168 Ų168168.8 Ų168.879%0.78584%0.837SS**  trans-77.1148.3172.6-66.1178.6-6.900109.5
86A29.1Very low30.7Very low98 Ų98164.4 Ų164.481%0.8183%0.828SS**  trans-144.1127.8170.200000108.3
87E33.2Very low30.9Very low165 Ų165166.9 Ų166.977%0.77183%0.825SS**  trans-65.6154.9-178.7-75.6-61127.500112.7S89E87-S89 PolarHBondContact O-N 3.31Å
88P33.3Very low31Very low114 Ų114172.4 Ų172.474%0.7483%0.827SS**  trans-81.1104.7-173.932.2-32000111.8
89S31.5Very low30.9Very low116 Ų116174 Ų17481%0.81183%0.831SS**  trans-75.5146.9176.2550000113.7E87E87-S89 PolarHBondContact O-N 3.31Å
90E32.9Very low31Very low188 Ų188172.1 Ų172.188%0.87983%0.828SS**  trans-69.5137.6-165.4-55-178.7127.900114.4R92E90-R92 PolarHBondContact O-N 2.93Å; E90-R92 VanDerWaalsContact O-N 3.11Å
91R31.3Very low31.1Very low243 Ų243172.4 Ų172.492%0.91783%0.831SS**  trans-83.884.5170.4-74.8-168.9173.1-161-0.8111.6V93R91-V93 PolarHBondContact O-N 3.39Å; R91-V93 VanDerWaalsContact O-N 3.09Å
92R29.4Very low31Very low247 Ų247172 Ų17293%0.93283%0.831SS**  trans-51108.9173.3-164.8179-168-171.85.9111.9E90E90-R92 PolarHBondContact O-N 2.93Å; E90-R92 VanDerWaalsContact O-N 3.11Å
93V31.8Very low31.1Very low133 Ų133171.4 Ų171.481%0.80683%0.828SS**  trans-73.1142.2-179.3176.40000111.2R91 R95R91-V93 PolarHBondContact O-N 3.39Å; R91-V93 VanDerWaalsContact O-N 3.09Å; V93-R95 PolarHBondContact O-N 3.27Å
94K31.5Very low31.1Very low186 Ų186164.5 Ų164.581%0.80982%0.822SS**  trans-73.6111.8178-172.5-175.4178.4-165.30110.5
95R29.5Very low30.9Very low222 Ų222163.8 Ų163.884%0.83882%0.823SS**  trans-77.4123.9177-174.9-173.2-170.3-169.87.3111.3V93V93-R95 PolarHBondContact O-N 3.27Å
96E30.3Very low30.8Very low166 Ų166159.9 Ų159.978%0.77682%0.819SS**  trans-138.7131.3162-165.2159.9-17100108
97K33.5Very low30.9Very low157 Ų157160.7 Ų160.768%0.68382%0.819SS**  trans-78.4142.4-176.8-80-177.3163.6-1650111
98R30.8Very low30.9Very low242 Ų242157.3 Ų157.391%0.91381%0.813SS**  -149.3164129.5-71.7-148.7176.9-161-4109.9
99D30.2Very low30.9Very low141 Ų141161 Ų16175%0.75482%0.818SS**  trans-96.2178.1-155.5-44.8-89.2000114
100D32.9Very low31.1Very low167 Ų167161.3 Ų161.389%0.89382%0.815SS**PPolyproline II helixtrans-64.2161.7-169.3-65.9-82.4000116.3
101G29.1Very low30.9Very low79 Ų79157.6 Ų157.681%0.81481%0.81SS**PPolyproline II helixtrans-77.9149.4-172.400000115.4
102Y30.1Very low31Very low239 Ų239151.1 Ų151.194%0.93780%0.801SS**PPolyproline II helixtrans-92.9138.7163.8-138.7-95.5000109.2
103E30.9Very low31.1Very low179 Ų179142.9 Ų142.984%0.83679%0.794SS**PPolyproline II helixtrans-88.7156.6-176.4-155.3-176.8-135.200112.8
104A28.5Very low31.2Very low90 Ų90143.9 Ų143.974%0.74479%0.794SS**  trans58.2118.6160.600000119.7
105A28.1Very low31.3Very low100 Ų100139.3 Ų139.383%0.82679%0.791SS**  179.6145.2109.700000115
106A28.8Very low31.9Very low86 Ų86134 Ų13471%0.71179%0.788SS**  trans55.5115.9142.500000123.1
107S31.2Very low33Very low115 Ų115131.6 Ų131.680%0.80479%0.79SS**  trans74.8164.4134.378.90000120.6
108S32.9Very low34.9Very low93 Ų93128.4 Ų128.465%0.6578%0.78SS**  -169.2146-5261.30000110.4
109K33.9Very low37.1Very low192 Ų192119.5 Ų119.584%0.83576%0.755SS**  trans67.7160.8164.7-66.2178.9-179.5178.20116.9
110T34.7Very low39.3Very low122 Ų122117.5 Ų117.575%0.74874%0.743SS**  -175.3138.7-59.929.50000108.7
111S30.4Very low41.3Very low111 Ų111115.8 Ų115.878%0.77673%0.729SS**  trans-152.874.2159.260.10000110
112S32.3Very low43.8Very low106 Ų106116.1 Ų116.174%0.74171%0.71SS**  62.976.784.377.70000113.5
113G31.9Very low46.3Very low75 Ų75107.1 Ų107.177%0.77368%0.68SS**  trans-131.4112155.800000107.2
114D34Very low48.8Very low153 Ų15399.9 Ų99.982%0.81865%0.647SS**  trans-76.8129.9-161.1-72.6-59.3000114.7
115A33.8Very low51.5Low90 Ų90101 Ų10174%0.74464%0.635SS**  trans-155.973.4163.800000109.9S117A115-S117 VanDerWaalsContact C-N 3.33Å; A115-S117 PolarHBondContact O-N 2.88Å
116S41.8Very low54Low111 Ų111100 Ų10078%0.77662%0.615SS**  trans-71.380.8180-520000112.3L118S116-L118 PolarHBondContact O-N 3.3Å
117S53.1Low56.7Low116 Ų116100.4 Ų100.481%0.81160%0.599SS**  trans-73.3113.9170.441.80000111A115A115-S117 VanDerWaalsContact C-N 3.33Å; A115-S117 PolarHBondContact O-N 2.88Å
118L73Confident59Low89 Ų8998 Ų9847%0.46659%0.585SS.*  trans-63.8152.6172-69.2170.6000111.2S116 E122 T123 L126S116-L118 PolarHBondContact O-N 3.3Å; L118-E122 HydrophobicContact CB-CB 3.99Å; L118-E122 HydrophobicContact CD2-CB 4.42Å; L118-T123 HydrophobicContact CB-CG2 3.88Å; L118-L126 HydrophobicContact CD1-CD1 3.47Å; L118-L126 VanDerWaalsContact CD1-CD1 3.47Å
119S78.6Confident61.4Low55 Ų55101.8 Ų101.839%0.38559%0.59SS.*  trans-62.8163.4179.866.70000112.8E121 E122 T123S119-E121 PolarHBondContact O-N 3.01Å; S119-E122 VanDerWaalsContact CB-OE2 3.22Å; S119-E122 WeakPolarHBondContact CB-OE2 3.48Å; S119-E122 PolarHBondContact N-OE2 3.33Å; S119-E122 PolarHBondContact O-N 3.34Å; S119-E122 VanDerWaalsContact O-N 3.11Å; S119-E122 WeakPolarHBondContact OG-CB 3.42Å; S119-E122 VanDerWaalsContact OG-CD 3.25Å; S119-E122 VanDerWaalsContact OG-CG 3.26Å; S119-E122 WeakPolarHBondContact OG-CG 3.33Å; S119-E122 PolarHBondContact OG-N 3.02Å; S119-E122 PolarHBondContact OG-OE2 3.13Å; S119-T123 WeakPolarHBondContact O-CB 3.36Å; S119-T123 WeakPolarHBondContact O-CG2 3.35Å; S119-T123 PolarHBondContact O-N 3.24Å; S119-T123 PolarHBondContact O-OG1 3.44Å
120I74.9Confident63.6Low100 Ų10098.9 Ų98.951%0.51358%0.583SS.*Hα-helixtrans-60-31.5178.8-58.6172.7000111.1T123 N124 L135 V137I120-T123 WeakPolarHBondContact CA-OG1 3.3Å; I120-T123 PolarHBondContact O-OG1 3Å; I120-T123 VanDerWaalsContact O-OG1 3.07Å; I120-N124 VanDerWaalsContact O-CB 3.27Å; I120-N124 WeakPolarHBondContact O-CB 3.23Å; I120-N124 VanDerWaalsContact O-CG 3.24Å; I120-N124 PolarHBondContact O-N 3.26Å; I120-L135 HydrophobicContact CG2-CD1 4.46Å; I120-V137 HydrophobicContact CG2-CG1 3.74Å
121E76.4Confident65.3Low130 Ų13096.7 Ų96.761%0.60758%0.584SS**Hα-helixtrans-74.2-41.1173.6-67-168.6-164.600113.8S119 N124 K125S119-E121 PolarHBondContact O-N 3.01Å; E121-N124 CarbonylContact O-C 3.59Å; E121-N124 PolarHBondContact O-N 2.94Å; E121-K125 WeakPolarHBondContact O-CB 3.21Å; E121-K125 WeakPolarHBondContact O-CD 3.28Å; E121-K125 WeakPolarHBondContact O-CG 3.33Å; E121-K125 PolarHBondContact O-N 3.46Å; E121-K125 IonicContact OE2-NZ 3.97Å; E121-K125 PolarHBondContact OE2-NZ 2.6Å
122E81.3Confident67.8Low87 Ų8795.8 Ų95.841%0.40757%0.57SS.*Hα-helixtrans-70.2-39.9179.5-71.5163.313100111.5L118 S119 N124 K125 L126L118-E122 HydrophobicContact CB-CB 3.99Å; L118-E122 HydrophobicContact CD2-CB 4.42Å; S119-E122 VanDerWaalsContact CB-OE2 3.22Å; S119-E122 WeakPolarHBondContact CB-OE2 3.48Å; S119-E122 PolarHBondContact N-OE2 3.33Å; S119-E122 PolarHBondContact O-N 3.34Å; S119-E122 VanDerWaalsContact O-N 3.11Å; S119-E122 WeakPolarHBondContact OG-CB 3.42Å; S119-E122 VanDerWaalsContact OG-CD 3.25Å; S119-E122 VanDerWaalsContact OG-CG 3.26Å; S119-E122 WeakPolarHBondContact OG-CG 3.33Å; S119-E122 PolarHBondContact OG-N 3.02Å; S119-E122 PolarHBondContact OG-OE2 3.13Å; E122-N124 VanDerWaalsContact C-N 3.32Å; E122-N124 PolarHBondContact O-N 3.15Å; E122-K125 PolarHBondContact O-N 2.99Å; E122-L126 WeakPolarHBondContact O-CG 3.28Å; E122-L126 PolarHBondContact O-N 3.3Å
123T81.4Confident70.1Confident50 Ų5097.6 Ų97.631%0.30757%0.565SS.*Hα-helixtrans-62.6-38.1169.552.40000111.2L118 S119 I120 L126 R127L118-T123 HydrophobicContact CB-CG2 3.88Å; S119-T123 WeakPolarHBondContact O-CB 3.36Å; S119-T123 WeakPolarHBondContact O-CG2 3.35Å; S119-T123 PolarHBondContact O-N 3.24Å; S119-T123 PolarHBondContact O-OG1 3.44Å; I120-T123 WeakPolarHBondContact CA-OG1 3.3Å; I120-T123 PolarHBondContact O-OG1 3Å; I120-T123 VanDerWaalsContact O-OG1 3.07Å; T123-L126 PolarHBondContact O-N 3.37Å; T123-R127 VanDerWaalsContact O-CB 3.23Å; T123-R127 WeakPolarHBondContact O-CB 3.37Å; T123-R127 PolarHBondContact O-N 3.23Å
124N84.5Confident72.3Confident26 Ų2697.2 Ų97.214%0.13955%0.549CS..Hα-helixtrans-65.3-39.1170.6-83.8-10.3000113.5I120 E121 E122 L126 R127 A128 P134 L135I120-N124 VanDerWaalsContact O-CB 3.27Å; I120-N124 WeakPolarHBondContact O-CB 3.23Å; I120-N124 VanDerWaalsContact O-CG 3.24Å; I120-N124 PolarHBondContact O-N 3.26Å; E121-N124 CarbonylContact O-C 3.59Å; E121-N124 PolarHBondContact O-N 2.94Å; E122-N124 VanDerWaalsContact C-N 3.32Å; E122-N124 PolarHBondContact O-N 3.15Å; N124-L126 VanDerWaalsContact C-N 3.34Å; N124-R127 PolarHBondContact O-N 3.23Å; N124-A128 WeakPolarHBondContact O-CB 3.37Å; N124-A128 PolarHBondContact O-N 2.83Å; N124-P134 HydrophobicContact CB-CB 4.14Å; N124-L135 PolarHBondContact ND2-O 2.97Å; N124-L135 VanDerWaalsContact OD1-CB 3.31Å; N124-L135 WeakPolarHBondContact OD1-CB 3.24Å; N124-L135 PolarHBondContact OD1-N 3.01Å
125K85.4Confident74.2Confident115 Ų11593.9 Ų93.950%0.553%0.531SS..Hα-helixtrans-64.5-37.3174.6-70.3155.5-166.5160.90111.1E121 E122 K129E121-K125 WeakPolarHBondContact O-CB 3.21Å; E121-K125 WeakPolarHBondContact O-CD 3.28Å; E121-K125 WeakPolarHBondContact O-CG 3.33Å; E121-K125 PolarHBondContact O-N 3.46Å; E121-K125 IonicContact OE2-NZ 3.97Å; E121-K125 PolarHBondContact OE2-NZ 2.6Å; E122-K125 PolarHBondContact O-N 2.99Å; K125-K129 VanDerWaalsContact O-CG 3.32Å; K125-K129 WeakPolarHBondContact O-CG 3.33Å; K125-K129 PolarHBondContact O-N 3.49Å
126L80.9Confident76Confident79 Ų7996.3 Ų96.341%0.41453%0.526SS..Hα-helixtrans-69.7-41.1170.1-71.6179.3000112.3L118 E122 T123 N124 A128 K129 L130L118-L126 HydrophobicContact CD1-CD1 3.47Å; L118-L126 VanDerWaalsContact CD1-CD1 3.47Å; E122-L126 WeakPolarHBondContact O-CG 3.28Å; E122-L126 PolarHBondContact O-N 3.3Å; T123-L126 PolarHBondContact O-N 3.37Å; N124-L126 VanDerWaalsContact C-N 3.34Å; L126-A128 VanDerWaalsContact C-N 3.35Å; L126-A128 PolarHBondContact O-N 3.21Å; L126-K129 CarbonylContact O-C 3.53Å; L126-K129 WeakPolarHBondContact O-CB 3.11Å; L126-K129 PolarHBondContact O-N 2.93Å; L126-K129 VanDerWaalsContact O-N 3.14Å; L126-L130 WeakPolarHBondContact O-CG 3.26Å; L126-L130 PolarHBondContact O-N 3.12Å
127R84.8Confident77.1Confident94 Ų9495.4 Ų95.436%0.35552%0.516SS..Hα-helixtrans-61.7-43.4-179.8-158.6163.5-171.6-178.7-0.2111.1T123 N124 L130 G131 L132 K133T123-R127 VanDerWaalsContact O-CB 3.23Å; T123-R127 WeakPolarHBondContact O-CB 3.37Å; T123-R127 PolarHBondContact O-N 3.23Å; N124-R127 PolarHBondContact O-N 3.23Å; R127-L130 CarbonylContact O-C 3.6Å; R127-L130 PolarHBondContact O-N 2.78Å; R127-G131 PolarHBondContact O-N 3.42Å; R127-L132 CarbonylContact C-O 3.59Å; R127-L132 HydrophobicContact CG-CB 3.38Å; R127-L132 HydrophobicContact CG-CD1 4.39Å; R127-L132 PolarHBondContact O-N 2.83Å; R127-K133 WeakPolarHBondContact CD-O 3.42Å; R127-K133 PolarHBondContact NE-O 2.85Å
128A79.6Confident76.9Confident63 Ų6397.7 Ų97.752%0.52152%0.519SS..Hα-helixtrans-62.1-43.7171.500000112.9N124 L126 L130 G131N124-A128 WeakPolarHBondContact O-CB 3.37Å; N124-A128 PolarHBondContact O-N 2.83Å; L126-A128 VanDerWaalsContact C-N 3.35Å; L126-A128 PolarHBondContact O-N 3.21Å; A128-L130 PolarHBondContact O-N 3.12Å; A128-G131 PolarHBondContact O-N 3.05Å
129K83.6Confident75.5Confident174 Ų17497.3 Ų97.376%0.75753%0.529SS*.Hα-helixtrans-62.7-24.3174.5-75.5175.8178.9-175.90113.6K125 L126K125-K129 VanDerWaalsContact O-CG 3.32Å; K125-K129 WeakPolarHBondContact O-CG 3.33Å; K125-K129 PolarHBondContact O-N 3.49Å; L126-K129 CarbonylContact O-C 3.53Å; L126-K129 WeakPolarHBondContact O-CB 3.11Å; L126-K129 PolarHBondContact O-N 2.93Å; L126-K129 VanDerWaalsContact O-N 3.14Å
130L79.1Confident73.6Confident131 Ų131102.2 Ų102.269%0.68655%0.549SS*.THydrogen-bonded Turntrans-95.211.7175.1-65.1171.6000113.1L126 R127 A128 L132L126-L130 WeakPolarHBondContact O-CG 3.26Å; L126-L130 PolarHBondContact O-N 3.12Å; R127-L130 CarbonylContact O-C 3.6Å; R127-L130 PolarHBondContact O-N 2.78Å; A128-L130 PolarHBondContact O-N 3.12Å; L130-L132 HydrophobicContact CB-CD1 4.22Å; L130-L132 PolarHBondContact O-N 3.2Å
131G71.5Confident72.3Confident75 Ų75107.2 Ų107.277%0.77357%0.567SS**THydrogen-bonded Turntrans70.412177.400000115.2R127 A128R127-G131 PolarHBondContact O-N 3.42Å; A128-G131 PolarHBondContact O-N 3.05Å
132L81.4Confident71Confident93 Ų93110.3 Ų110.349%0.48758%0.579SS.*PPolyproline II helixtrans-98.3144-176.6-71162.8000110.8R127 L130R127-L132 CarbonylContact C-O 3.59Å; R127-L132 HydrophobicContact CG-CB 3.38Å; R127-L132 HydrophobicContact CG-CD1 4.39Å; R127-L132 PolarHBondContact O-N 2.83Å; L130-L132 HydrophobicContact CB-CD1 4.22Å; L130-L132 PolarHBondContact O-N 3.2Å
133K81.3Confident69.1Low143 Ų143114.7 Ų114.762%0.62260%0.599SS**PPolyproline II helixtrans-59.5130.4177.8-169.2-175.9177.7-170.50110.7R127 E136R127-K133 WeakPolarHBondContact CD-O 3.42Å; R127-K133 PolarHBondContact NE-O 2.85Å; K133-E136 WeakPolarHBondContact CE-OE1 3.18Å; K133-E136 IonicContact NZ-OE1 2.92Å; K133-E136 PolarHBondContact NZ-OE1 2.82Å
134P77.9Confident67.2Low68 Ų68116.9 Ų116.944%0.44262%0.623SS.*PPolyproline II helixtrans-63.3156.217726.5-34.9000112.5N124 E136N124-P134 HydrophobicContact CB-CB 4.14Å; P134-E136 PolarHBondContact O-N 2.99Å
135L74.3Confident64.7Low83 Ų83119.2 Ų119.244%0.43565%0.652SS.*PPolyproline II helixtrans-67.1124.5170.6-66.9164.3000110I120 N124 V137I120-L135 HydrophobicContact CG2-CD1 4.46Å; N124-L135 PolarHBondContact ND2-O 2.97Å; N124-L135 VanDerWaalsContact OD1-CB 3.31Å; N124-L135 WeakPolarHBondContact OD1-CB 3.24Å; N124-L135 PolarHBondContact OD1-N 3.01Å; L135-V137 PolarHBondContact O-N 2.79Å
136E71.9Confident62.5Low140 Ų140120.3 Ų120.365%0.65467%0.669SS**  trans-75.5107.3173.8-72.6164.4-166.900109.6K133 P134K133-E136 WeakPolarHBondContact CE-OE1 3.18Å; K133-E136 IonicContact NZ-OE1 2.92Å; K133-E136 PolarHBondContact NZ-OE1 2.82Å; P134-E136 PolarHBondContact O-N 2.99Å
137V63.7Low60.6Low92 Ų92125.1 Ų125.156%0.55869%0.686SS**  trans-83.4125.3168-74.70000109.1I120 L135I120-V137 HydrophobicContact CG2-CG1 3.74Å; L135-V137 PolarHBondContact O-N 2.79Å
138N49.8Very low58.5Low164 Ų164128 Ų12888%0.87770%0.704SS**SBendtrans74.461.8175.5-48-40.7000118
139A43.5Very low56.5Low82 Ų82133.2 Ų133.268%0.67872%0.717SS**  trans-161.7122.8140.600000111.8
140I39.1Very low54.7Low157 Ų157130.3 Ų130.381%0.80572%0.717SS**  trans-115.690.2163.7-55.1-178.4000108.8K142I140-K142 HydrophobicContact CG2-CG 4.27Å
141K46.1Very low53.3Low206 Ų206129.9 Ų129.990%0.89672%0.719SS**  trans-97.5129.4143.5-76.3-172.5173.9-174.10107
142K49.8Very low52.3Low195 Ų195131.9 Ų131.985%0.84872%0.717SS**  trans-135.2128.2167.8-82.1-169.6173.2-175.10109.2I140I140-K142 HydrophobicContact CG2-CG 4.27Å
143E41.4Very low50.7Low179 Ų179130.7 Ų130.784%0.83672%0.72SS**  trans-82.6156.5174-80.5-66.1159.100111.8
144A42.4Very low49.5Very low96 Ų96131 Ų13179%0.79373%0.728SS**  trans37.4117.9158.100000120.3
145G31.1Very low48.6Very low74 Ų74133.5 Ų133.576%0.76374%0.742SS**  trans-164.631.117400000116.2
146T40Very low48.2Very low139 Ų139135.3 Ų135.385%0.85375%0.751SS**  trans9.2101.5172.755.90000118.8
147K39.6Very low48.1Very low179 Ų179133.9 Ų133.978%0.77875%0.748SS**  -171.8138.7122.7-106.1-179.1176.2-154.60113.5
148E41.1Very low48.6Very low155 Ų155132.8 Ų132.872%0.72474%0.743SS**  trans38.192.9147.9-64.9161.2-115.300118.7
149E37.3Very low49.9Very low172 Ų172130.1 Ų130.180%0.80473%0.726SS**  -174.1113.2108.7-101.5-178.8-17100109.7V151E149-V151 PolarHBondContact O-N 2.97Å; E149-V151 VanDerWaalsContact O-N 3.14Å
150P46.4Very low51.9Low114 Ų114128.8 Ų128.874%0.7472%0.715SS**  trans-75.2102.6169.930.7-30.5000108.4T152P150-T152 PolarHBondContact O-N 3.43Å
151V49.1Very low53.9Low122 Ų122125.9 Ų125.974%0.73970%0.701SS**  trans-72.874.8171-1750000108.9E149 A153E149-V151 PolarHBondContact O-N 2.97Å; E149-V151 VanDerWaalsContact O-N 3.14Å; V151-A153 HydrophobicContact CG1-CB 4Å; V151-A153 PolarHBondContact O-N 3.2Å
152T51.5Low56Low117 Ų117122.8 Ų122.872%0.71868%0.684SS**  trans-72.662.7159.155.60000108.5P150 D154P150-T152 PolarHBondContact O-N 3.43Å; T152-D154 PolarHBondContact O-N 3.41Å
153A48Very low57.9Low67 Ų67118.5 Ų118.555%0.55467%0.667SS**  trans-65.7117.4154.800000105.7V151 V155V151-A153 HydrophobicContact CG1-CB 4Å; V151-A153 PolarHBondContact O-N 3.2Å; A153-V155 PolarHBondContact O-N 2.8Å
154D54.7Low60.2Low150 Ų150119.3 Ų119.380%0.80266%0.662SS**  trans-55.7108.1-174.8-62-61.5000110T152 I156T152-D154 PolarHBondContact O-N 3.41Å; D154-I156 VanDerWaalsContact C-N 3.29Å; D154-I156 PolarHBondContact O-N 3.47Å
155V60.7Low62.5Low121 Ų121120 Ų12073%0.73365%0.648SS**  trans-67.897.9171.3178.20000105.6A153 N157A153-V155 PolarHBondContact O-N 2.8Å; V155-N157 PolarHBondContact O-N 3.27Å
156I64.8Low65.6Low120 Ų120120.5 Ų120.562%0.61563%0.631SS**  trans-49105.2177.7-60.8169.5000107D154 P158D154-I156 VanDerWaalsContact C-N 3.29Å; D154-I156 PolarHBondContact O-N 3.47Å; I156-P158 WeakPolarHBondContact O-CD 3.29Å
157N69Low68.2Low111 Ų111118.9 Ų118.959%0.59462%0.617SS**  trans-58.5108.7-171-90.1-44.3000108.6V155 M159 A160 L161V155-N157 PolarHBondContact O-N 3.27Å; N157-M159 PolarHBondContact O-N 3.37Å; N157-M159 VanDerWaalsContact O-N 3.11Å; N157-A160 HydrophobicContact CB-CB 4.09Å; N157-A160 WeakPolarHBondContact O-CB 3.27Å; N157-A160 PolarHBondContact O-N 3.47Å; N157-L161 PolarHBondContact O-N 2.92Å
158P74.2Confident70.8Confident69 Ų69119.9 Ų119.945%0.44862%0.616SS.*Hα-helixtrans-67-20.9-174.227.8-34.6000111I156 R162I156-P158 WeakPolarHBondContact O-CD 3.29Å; P158-R162 WeakPolarHBondContact O-CB 3.29Å; P158-R162 VanDerWaalsContact O-CG 3.3Å; P158-R162 WeakPolarHBondContact O-CG 3.36Å; P158-R162 PolarHBondContact O-N 3.37Å; P158-R162 VanDerWaalsContact O-N 3.08Å
159M77.8Confident73.4Confident108 Ų108119.1 Ų119.153%0.53261%0.612SS.*Hα-helixtrans-62.5-41.9169.2-60.2-54.1-62.500112.5N157 R162 Q163N157-M159 PolarHBondContact O-N 3.37Å; N157-M159 VanDerWaalsContact O-N 3.11Å; M159-R162 PolarHBondContact O-N 2.84Å; M159-Q163 VanDerWaalsContact O-CB 3.29Å; M159-Q163 WeakPolarHBondContact O-CB 3.44Å; M159-Q163 WeakPolarHBondContact O-CG 3.29Å; M159-Q163 PolarHBondContact O-N 2.83Å; M159-Q163 PolarHBondContact O-OE1 3.47Å
160A85.1Confident76.2Confident54 Ų54116.6 Ų116.645%0.44660%0.598SS.*Hα-helixtrans-71.6-34.5-178.700000112N157 R164N157-A160 HydrophobicContact CB-CB 4.09Å; N157-A160 WeakPolarHBondContact O-CB 3.27Å; N157-A160 PolarHBondContact O-N 3.47Å; A160-R164 WeakPolarHBondContact O-CB 3.37Å; A160-R164 PolarHBondContact O-N 2.89Å; A160-R164 VanDerWaalsContact O-N 3.1Å
161L82.8Confident78.6Confident95 Ų95116.8 Ų116.850%0.49759%0.592SS.*Hα-helixtrans-66.5-48173-149.680.1000110.8N157 Q163 R164 E165N157-L161 PolarHBondContact O-N 2.92Å; L161-Q163 PolarHBondContact O-N 2.88Å; L161-R164 WeakPolarHBondContact O-CB 3.35Å; L161-R164 PolarHBondContact O-N 2.83Å; L161-R164 VanDerWaalsContact O-N 3.12Å; L161-E165 WeakPolarHBondContact O-CG 3.21Å; L161-E165 PolarHBondContact O-N 3.2Å
162R88.4Confident80.8Confident142 Ų142112.9 Ų112.954%0.53657%0.573SS.*Hα-helixtrans-61.3-42.5176-74.6173.2-179.4157.10.8113P158 M159 R164 E165 E166P158-R162 WeakPolarHBondContact O-CB 3.29Å; P158-R162 VanDerWaalsContact O-CG 3.3Å; P158-R162 WeakPolarHBondContact O-CG 3.36Å; P158-R162 PolarHBondContact O-N 3.37Å; P158-R162 VanDerWaalsContact O-N 3.08Å; M159-R162 PolarHBondContact O-N 2.84Å; R162-R164 VanDerWaalsContact C-N 3.27Å; R162-R164 PolarHBondContact O-N 3.36Å; R162-E165 CarbonylContact O-C 3.48Å; R162-E165 WeakPolarHBondContact O-CB 3.38Å; R162-E165 PolarHBondContact O-N 2.61Å; R162-E165 VanDerWaalsContact O-N 3.11Å; R162-E166 WeakPolarHBondContact O-CB 3.34Å; R162-E166 WeakPolarHBondContact O-CG 3.48Å; R162-E166 PolarHBondContact O-N 3.07Å
163Q90.8Very high82.9Confident105 Ų105109.3 Ų109.349%0.49156%0.555SS.*Hα-helixtrans-60.6-37.4174.8-76.6165.4-21.300111.6M159 L161 L167M159-Q163 VanDerWaalsContact O-CB 3.29Å; M159-Q163 WeakPolarHBondContact O-CB 3.44Å; M159-Q163 WeakPolarHBondContact O-CG 3.29Å; M159-Q163 PolarHBondContact O-N 2.83Å; M159-Q163 PolarHBondContact O-OE1 3.47Å; L161-Q163 PolarHBondContact O-N 2.88Å; Q163-L167 WeakPolarHBondContact O-CB 3.46Å; Q163-L167 WeakPolarHBondContact O-CG 3.49Å; Q163-L167 PolarHBondContact O-N 2.8Å
164R88.9Confident85.2Confident195 Ų195108.7 Ų108.774%0.73655%0.55SS**Hα-helixtrans-68.8-37.1173.4-174.1178.6-177.7173.52.7112.5A160 L161 R162 R168A160-R164 WeakPolarHBondContact O-CB 3.37Å; A160-R164 PolarHBondContact O-N 2.89Å; A160-R164 VanDerWaalsContact O-N 3.1Å; L161-R164 WeakPolarHBondContact O-CB 3.35Å; L161-R164 PolarHBondContact O-N 2.83Å; L161-R164 VanDerWaalsContact O-N 3.12Å; R162-R164 VanDerWaalsContact C-N 3.27Å; R162-R164 PolarHBondContact O-N 3.36Å; R164-R168 WeakPolarHBondContact O-CB 3.21Å; R164-R168 PolarHBondContact O-N 2.8Å
165E91.8Very high87.2Confident110 Ų110108.4 Ų108.451%0.51454%0.542SS..Hα-helixtrans-67.6-48.1175.2-70.9163.6169.300111.1L161 R162 L167 R168 E169L161-E165 WeakPolarHBondContact O-CG 3.21Å; L161-E165 PolarHBondContact O-N 3.2Å; R162-E165 CarbonylContact O-C 3.48Å; R162-E165 WeakPolarHBondContact O-CB 3.38Å; R162-E165 PolarHBondContact O-N 2.61Å; R162-E165 VanDerWaalsContact O-N 3.11Å; E165-L167 VanDerWaalsContact C-N 3.32Å; E165-L167 PolarHBondContact O-N 2.83Å; E165-R168 CarbonylContact O-C 3.25Å; E165-R168 WeakPolarHBondContact O-CA 3.39Å; E165-R168 WeakPolarHBondContact O-CB 3.47Å; E165-R168 PolarHBondContact O-N 3.41Å; E165-E169 PolarHBondContact O-N 3.09Å
166E94.9Very high88.8Confident85 Ų85108.5 Ų108.540%0.39753%0.534SS..Hα-helixtrans-57.9-40.5172.8-73.9177.8-140.100112.5R162 E169 K170R162-E166 WeakPolarHBondContact O-CB 3.34Å; R162-E166 WeakPolarHBondContact O-CG 3.48Å; R162-E166 PolarHBondContact O-N 3.07Å; E166-E169 PolarHBondContact O-N 3.43Å; E166-K170 WeakPolarHBondContact O-CB 3.46Å; E166-K170 VanDerWaalsContact O-CD 3.25Å; E166-K170 WeakPolarHBondContact O-CD 3.49Å; E166-K170 WeakPolarHBondContact O-CG 3.33Å; E166-K170 PolarHBondContact O-N 3.35Å; E166-K170 IonicContact OE2-NZ 2.63Å; E166-K170 PolarHBondContact OE2-NZ 3.4Å
167L94.4Very high90.3Very high105 Ų105109.7 Ų109.755%0.5554%0.535SS..Hα-helixtrans-67.8-37.1174.9-75.8170.2000111.4Q163 E165 K170 L171Q163-L167 WeakPolarHBondContact O-CB 3.46Å; Q163-L167 WeakPolarHBondContact O-CG 3.49Å; Q163-L167 PolarHBondContact O-N 2.8Å; E165-L167 VanDerWaalsContact C-N 3.32Å; E165-L167 PolarHBondContact O-N 2.83Å; L167-K170 PolarHBondContact O-N 3.38Å; L167-L171 WeakPolarHBondContact O-CB 3.32Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.35Å; L167-L171 PolarHBondContact O-N 2.89Å
168R94.6Very high91.4Very high201 Ų201112.8 Ų112.876%0.75854%0.538SS*.Hα-helixtrans-66.1-39.3173.9-174.1176.1-178.2144.14.5111.8R164 E165 L171 A172R164-R168 WeakPolarHBondContact O-CB 3.21Å; R164-R168 PolarHBondContact O-N 2.8Å; E165-R168 CarbonylContact O-C 3.25Å; E165-R168 WeakPolarHBondContact O-CA 3.39Å; E165-R168 WeakPolarHBondContact O-CB 3.47Å; E165-R168 PolarHBondContact O-N 3.41Å; R168-L171 PolarHBondContact O-N 2.85Å; R168-A172 WeakPolarHBondContact O-CB 3.32Å; R168-A172 PolarHBondContact O-N 2.69Å
169E96.4Very high92.4Very high138 Ų138113.8 Ų113.865%0.64554%0.539SS*.Hα-helixtrans-65.2-46.6174.3-173.1-177.4-17900111.3E165 E166 L171 A172 A173E165-E169 PolarHBondContact O-N 3.09Å; E166-E169 PolarHBondContact O-N 3.43Å; E169-L171 VanDerWaalsContact C-N 3.29Å; E169-L171 PolarHBondContact O-N 3.12Å; E169-A172 WeakPolarHBondContact O-CB 3.49Å; E169-A172 PolarHBondContact O-N 2.92Å; E169-A172 VanDerWaalsContact O-N 3.1Å; E169-A173 PolarHBondContact O-N 3.08Å
170K97.1Very high93Very high119 Ų119113.2 Ų113.252%0.51754%0.538SS..Hα-helixtrans-58.4-40174.2-71.4158.2-166160.50111.7E166 L167 A174E166-K170 WeakPolarHBondContact O-CB 3.46Å; E166-K170 VanDerWaalsContact O-CD 3.25Å; E166-K170 WeakPolarHBondContact O-CD 3.49Å; E166-K170 WeakPolarHBondContact O-CG 3.33Å; E166-K170 PolarHBondContact O-N 3.35Å; E166-K170 IonicContact OE2-NZ 2.63Å; E166-K170 PolarHBondContact OE2-NZ 3.4Å; L167-K170 PolarHBondContact O-N 3.38Å; K170-A174 WeakPolarHBondContact O-CB 3.23Å; K170-A174 PolarHBondContact O-N 3.16Å
171L95.3Very high93.3Very high118 Ų118116 Ų11662%0.61855%0.546SS*.Hα-helixtrans-70.9-34.9174.2-72.6170.7000113.2L167 R168 E169 A174 K175L167-L171 WeakPolarHBondContact O-CB 3.32Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.35Å; L167-L171 PolarHBondContact O-N 2.89Å; R168-L171 PolarHBondContact O-N 2.85Å; E169-L171 VanDerWaalsContact C-N 3.29Å; E169-L171 PolarHBondContact O-N 3.12Å; L171-A174 PolarHBondContact O-N 3.07Å; L171-K175 WeakPolarHBondContact O-CG 3.4Å; L171-K175 PolarHBondContact O-N 3.26Å
172A95.8Very high93.7Very high41 Ų41115.8 Ų115.834%0.33954%0.542SS..Hα-helixtrans-65-50.2173.500000110.8R168 E169 A174 K175 E176R168-A172 WeakPolarHBondContact O-CB 3.32Å; R168-A172 PolarHBondContact O-N 2.69Å; E169-A172 WeakPolarHBondContact O-CB 3.49Å; E169-A172 PolarHBondContact O-N 2.92Å; E169-A172 VanDerWaalsContact O-N 3.1Å; A172-A174 VanDerWaalsContact C-N 3.26Å; A172-A174 PolarHBondContact O-N 3.42Å; A172-K175 CarbonylContact O-C 3.58Å; A172-K175 WeakPolarHBondContact O-CA 3.37Å; A172-K175 WeakPolarHBondContact O-CB 3.41Å; A172-K175 PolarHBondContact O-N 3.02Å; A172-E176 WeakPolarHBondContact O-CG 3.36Å; A172-E176 PolarHBondContact O-N 2.99Å
173A96.4Very high93.8Very high41 Ų41115.2 Ų115.234%0.33954%0.543SS..Hα-helixtrans-60.4-33.7175.100000112.7E169 K177E169-A173 PolarHBondContact O-N 3.08Å; A173-K177 WeakPolarHBondContact O-CB 2.96Å; A173-K177 VanDerWaalsContact O-CG 3.3Å; A173-K177 WeakPolarHBondContact O-CG 3.27Å; A173-K177 PolarHBondContact O-N 3.14Å
174A95.8Very high93.5Very high54 Ų54115.7 Ų115.745%0.44655%0.549SS..Hα-helixtrans-69.2-40.5172.600000112.6K170 L171 A172 R178K170-A174 WeakPolarHBondContact O-CB 3.23Å; K170-A174 PolarHBondContact O-N 3.16Å; L171-A174 PolarHBondContact O-N 3.07Å; A172-A174 VanDerWaalsContact C-N 3.26Å; A172-A174 PolarHBondContact O-N 3.42Å; A174-R178 PolarHBondContact O-N 2.68Å
175K95.8Very high93.2Very high145 Ų145109.8 Ų109.863%0.6355%0.548SS*.Hα-helixtrans-63.1-45171.8-77.8-176.6173-165.50111.5L171 A172 R178 L179L171-K175 WeakPolarHBondContact O-CG 3.4Å; L171-K175 PolarHBondContact O-N 3.26Å; A172-K175 CarbonylContact O-C 3.58Å; A172-K175 WeakPolarHBondContact O-CA 3.37Å; A172-K175 WeakPolarHBondContact O-CB 3.41Å; A172-K175 PolarHBondContact O-N 3.02Å; K175-R178 PolarHBondContact O-N 3.17Å; K175-L179 WeakPolarHBondContact O-CB 3.27Å; K175-L179 WeakPolarHBondContact O-CG 3.48Å; K175-L179 PolarHBondContact O-N 3.14Å
176E94.9Very high92.8Very high122 Ų122112.8 Ų112.857%0.5756%0.56SS**Hα-helixtrans-61.1-44.2176.9-74.2173.2-173.800111.6A172 R178 L179 L180A172-E176 WeakPolarHBondContact O-CG 3.36Å; A172-E176 PolarHBondContact O-N 2.99Å; E176-R178 PolarHBondContact O-N 3.01Å; E176-L179 CarbonylContact O-C 3.57Å; E176-L179 PolarHBondContact O-N 3.35Å; E176-L180 WeakPolarHBondContact O-CB 3.47Å; E176-L180 WeakPolarHBondContact O-CG 3.42Å; E176-L180 PolarHBondContact O-N 3.28Å
177K95.8Very high92.3Very high146 Ų146114.2 Ų114.264%0.63557%0.569SS**Hα-helixtrans-59.6-43.6171.6-76.6176.6176.2-173.60112.2A173 L179 L180 N181A173-K177 WeakPolarHBondContact O-CB 2.96Å; A173-K177 VanDerWaalsContact O-CG 3.3Å; A173-K177 WeakPolarHBondContact O-CG 3.27Å; A173-K177 PolarHBondContact O-N 3.14Å; K177-L179 VanDerWaalsContact C-N 3.34Å; K177-L179 PolarHBondContact O-N 2.87Å; K177-L180 PolarHBondContact O-N 3.16Å; K177-N181 WeakPolarHBondContact O-CB 3.3Å; K177-N181 VanDerWaalsContact O-CG 3.28Å; K177-N181 PolarHBondContact O-N 3.06Å; K177-N181 PolarHBondContact O-OD1 3.37Å; K177-N181 VanDerWaalsContact O-OD1 3.12Å
178R93.2Very high91.3Very high175 Ų175115.7 Ų115.766%0.6657%0.571SS**Hα-helixtrans-62.1-40.4174.8-172.2176.8-179.5-179.40.9112A174 K175 E176 N181 Q182A174-R178 PolarHBondContact O-N 2.68Å; K175-R178 PolarHBondContact O-N 3.17Å; E176-R178 PolarHBondContact O-N 3.01Å; R178-N181 PolarHBondContact O-N 3.45Å; R178-Q182 WeakPolarHBondContact O-CB 3.21Å; R178-Q182 VanDerWaalsContact O-CG 3.31Å; R178-Q182 WeakPolarHBondContact O-CG 3.1Å; R178-Q182 PolarHBondContact O-N 3.17Å
179L94.1Very high90.6Very high90 Ų90110.4 Ų110.447%0.47156%0.561SS.*Hα-helixtrans-69.2-35.7176.4-72.6169.2000112.5K175 E176 K177 Q182 K183K175-L179 WeakPolarHBondContact O-CB 3.27Å; K175-L179 WeakPolarHBondContact O-CG 3.48Å; K175-L179 PolarHBondContact O-N 3.14Å; E176-L179 CarbonylContact O-C 3.57Å; E176-L179 PolarHBondContact O-N 3.35Å; K177-L179 VanDerWaalsContact C-N 3.34Å; K177-L179 PolarHBondContact O-N 2.87Å; L179-Q182 PolarHBondContact O-N 2.95Å; L179-K183 WeakPolarHBondContact O-CB 3.12Å; L179-K183 VanDerWaalsContact O-CG 3.24Å; L179-K183 WeakPolarHBondContact O-CG 3.42Å; L179-K183 PolarHBondContact O-N 3.35Å
180L92Very high89.2Confident97 Ų97112.1 Ų112.151%0.50857%0.574SS.*Hα-helixtrans-66.8-45.7172.6-74.3170.3000110.8E176 K177 Q182 K183 L184E176-L180 WeakPolarHBondContact O-CB 3.47Å; E176-L180 WeakPolarHBondContact O-CG 3.42Å; E176-L180 PolarHBondContact O-N 3.28Å; K177-L180 PolarHBondContact O-N 3.16Å; L180-Q182 VanDerWaalsContact C-N 3.3Å; L180-Q182 PolarHBondContact O-N 2.89Å; L180-K183 CarbonylContact O-C 3.55Å; L180-K183 WeakPolarHBondContact O-CA 3.47Å; L180-K183 WeakPolarHBondContact O-CB 3.25Å; L180-K183 PolarHBondContact O-N 3.42Å; L180-L184 WeakPolarHBondContact O-CG 3.44Å; L180-L184 PolarHBondContact O-N 3.33Å
181N91.4Very high87.9Confident113 Ų113109 Ų10960%0.60458%0.575SS**Hα-helixtrans-61.7-38.3174.8-67.114.7000111.7K177 R178 K183 L184 G185K177-N181 WeakPolarHBondContact O-CB 3.3Å; K177-N181 VanDerWaalsContact O-CG 3.28Å; K177-N181 PolarHBondContact O-N 3.06Å; K177-N181 PolarHBondContact O-OD1 3.37Å; K177-N181 VanDerWaalsContact O-OD1 3.12Å; R178-N181 PolarHBondContact O-N 3.45Å; N181-K183 VanDerWaalsContact C-N 3.34Å; N181-L184 PolarHBondContact O-N 3.44Å; N181-G185 PolarHBondContact O-N 2.98Å
182Q89.8Confident86.3Confident90 Ų90107.3 Ų107.342%0.42156%0.564SS.*Hα-helixtrans-68.6-27.4171.9-76.8177.8-14.800113.9R178 L179 L180 K186R178-Q182 WeakPolarHBondContact O-CB 3.21Å; R178-Q182 VanDerWaalsContact O-CG 3.31Å; R178-Q182 WeakPolarHBondContact O-CG 3.1Å; R178-Q182 PolarHBondContact O-N 3.17Å; L179-Q182 PolarHBondContact O-N 2.95Å; L180-Q182 VanDerWaalsContact C-N 3.3Å; L180-Q182 PolarHBondContact O-N 2.89Å; Q182-K186 WeakPolarHBondContact O-CB 3.41Å; Q182-K186 WeakPolarHBondContact O-CD 3.43Å; Q182-K186 WeakPolarHBondContact O-CG 3.39Å; Q182-K186 PolarHBondContact O-N 3.17Å
183K90.3Very high84.6Confident129 Ų129111.4 Ų111.456%0.56158%0.581SS**Hα-helixtrans-76.2-41.9172.6-76.6167.9-179.1-1780111L179 L180 N181 K186 I187L179-K183 WeakPolarHBondContact O-CB 3.12Å; L179-K183 VanDerWaalsContact O-CG 3.24Å; L179-K183 WeakPolarHBondContact O-CG 3.42Å; L179-K183 PolarHBondContact O-N 3.35Å; L180-K183 CarbonylContact O-C 3.55Å; L180-K183 WeakPolarHBondContact O-CA 3.47Å; L180-K183 WeakPolarHBondContact O-CB 3.25Å; L180-K183 PolarHBondContact O-N 3.42Å; N181-K183 VanDerWaalsContact C-N 3.34Å; K183-K186 CarbonylContact O-C 3.59Å; K183-K186 WeakPolarHBondContact O-CA 3.37Å; K183-K186 PolarHBondContact O-N 2.66Å; K183-I187 WeakPolarHBondContact O-CG1 3.49Å; K183-I187 PolarHBondContact O-N 2.76Å
184L85.3Confident82.9Confident115 Ų115113.4 Ų113.460%0.60259%0.586SS**Hα-helixtrans-59.8-46.6174.1-69.1168.1000110.8L180 N181 K186 I187L180-L184 WeakPolarHBondContact O-CG 3.44Å; L180-L184 PolarHBondContact O-N 3.33Å; N181-L184 PolarHBondContact O-N 3.44Å; L184-K186 PolarHBondContact O-N 3.12Å; L184-K186 VanDerWaalsContact O-N 3.12Å; L184-I187 HydrophobicContact CD2-CD1 4.47Å; L184-I187 PolarHBondContact O-N 2.81Å
185G83.3Confident81.3Confident71 Ų71117.5 Ų117.573%0.73261%0.607SS**THydrogen-bonded Turntrans-71.34.417200000116N181N181-G185 PolarHBondContact O-N 2.98Å
186K82.8Confident79.5Confident174 Ų174113.2 Ų113.276%0.75759%0.587SS**THydrogen-bonded Turntrans-115.8-11.8171.7-78.8176.4179.9-173.60113.1Q182 K183 L184Q182-K186 WeakPolarHBondContact O-CB 3.41Å; Q182-K186 WeakPolarHBondContact O-CD 3.43Å; Q182-K186 WeakPolarHBondContact O-CG 3.39Å; Q182-K186 PolarHBondContact O-N 3.17Å; K183-K186 CarbonylContact O-C 3.59Å; K183-K186 WeakPolarHBondContact O-CA 3.37Å; K183-K186 PolarHBondContact O-N 2.66Å; L184-K186 PolarHBondContact O-N 3.12Å; L184-K186 VanDerWaalsContact O-N 3.12Å
187I83Confident77.6Confident114 Ų114114.1 Ų114.159%0.58560%0.595SS**SBendtrans-77.5124.3169.3-71162000105.7K183 L184 T189K183-I187 WeakPolarHBondContact O-CG1 3.49Å; K183-I187 PolarHBondContact O-N 2.76Å; L184-I187 HydrophobicContact CD2-CD1 4.47Å; L184-I187 PolarHBondContact O-N 2.81Å; I187-T189 PolarHBondContact O-N 2.75Å
188K74Confident75.8Confident136 Ų136114.8 Ų114.859%0.59161%0.606SS**PPolyproline II helixtrans-49.3132.1173.3-75.5-166.3156.7-155.50109.8E192K188-E192 HydrophobicContact CB-CB 4.33Å; K188-E192 HydrophobicContact CD-CB 4.33Å; K188-E192 WeakPolarHBondContact CG-OE2 3.48Å
189T79.4Confident74.7Confident90 Ų90111.2 Ų111.255%0.55260%0.6SS**PPolyproline II helixtrans-66.2150.5173.564.80000109.8I187 G191 E192I187-T189 PolarHBondContact O-N 2.75Å; T189-G191 PolarHBondContact O-N 2.82Å; T189-E192 WeakPolarHBondContact CB-OE1 3.05Å; T189-E192 WeakPolarHBondContact CG2-OE1 3.47Å; T189-E192 PolarHBondContact N-OE1 2.81Å; T189-E192 PolarHBondContact O-N 3.43Å; T189-E192 PolarHBondContact OG1-OE1 2.89Å
190L67.9Low73.8Confident174 Ų174112.3 Ų112.391%0.91161%0.61SS**THydrogen-bonded Turntrans-6918.4-179.8-66.2168.7000114
191G69.8Low73.1Confident53 Ų53110.3 Ų110.355%0.54661%0.608SS.*THydrogen-bonded Turntrans-116.9-0.2168.300000114T189T189-G191 PolarHBondContact O-N 2.82Å
192E62Low72.5Confident84 Ų84106.1 Ų106.139%0.39359%0.589SS.*  trans-94.111.6179.2-72.6164.8-121.600113.9K188 T189 D194K188-E192 HydrophobicContact CB-CB 4.33Å; K188-E192 HydrophobicContact CD-CB 4.33Å; K188-E192 WeakPolarHBondContact CG-OE2 3.48Å; T189-E192 WeakPolarHBondContact CB-OE1 3.05Å; T189-E192 WeakPolarHBondContact CG2-OE1 3.47Å; T189-E192 PolarHBondContact N-OE1 2.81Å; T189-E192 PolarHBondContact O-N 3.43Å; T189-E192 PolarHBondContact OG1-OE1 2.89Å; E192-D194 PolarHBondContact O-N 3.11Å
193D59.8Low72.1Confident127 Ų127109.8 Ų109.868%0.67960%0.599SS**  trans-75.378.2164.5-73.3-31.4000108.5P195D193-P195 WeakPolarHBondContact O-CD 3.33Å
194D61.6Low71.9Confident83 Ų83108.8 Ų108.844%0.44460%0.599SS.*  trans-40.7111.6172.3-96.5-56.7000109.9E192 W196 L197E192-D194 PolarHBondContact O-N 3.11Å; D194-W196 PolarHBondContact O-N 3.49Å; D194-L197 HydrophobicContact CB-CD1 3.55Å
195P60.9Low71.8Confident139 Ų139109.2 Ų109.290%0.90360%0.598SS**THydrogen-bonded Turntrans-71.629.5-176.7-21.235.1000114.3D193D193-P195 WeakPolarHBondContact O-CD 3.33Å
196W58.6Low71.6Confident55 Ų55111.7 Ų111.721%0.20859%0.585CS.*THydrogen-bonded Turntrans-144.5-6.1-155.2-174.859.9000113.6D194 D198 D199 A202 W203D194-W196 PolarHBondContact O-N 3.49Å; W196-D198 PolarHBondContact O-N 3.32Å; W196-D198 VanDerWaalsContact O-N 3.11Å; W196-D199 WeakPolarHBondContact CZ2-O 3.3Å; W196-D199 PolarHBondContact NE1-O 2.86Å; W196-D199 PolarHBondContact O-N 2.86Å; W196-A202 HydrophobicContact CZ2-CB 3.85Å; W196-W203 HydrophobicContact CH2-CB 3.65Å; W196-W203 AromaticContact CH2-CD1 4Å; W196-W203 HydrophobicContact CH2-CG 4.25Å; W196-W203 HydrophobicContact CZ2-CB 3.87Å
197L55.8Low71.7Confident141 Ų141105.7 Ų105.774%0.73857%0.565SS**THydrogen-bonded Turntrans-58.3-24.7175.1-96.271.5000114D194D194-L197 HydrophobicContact CB-CD1 3.55Å
198D56.4Low72Confident160 Ų160108.6 Ų108.686%0.85657%0.568SS**THydrogen-bonded Turntrans-83.7-18.1-175.3-65.9-31.6000114.1W196W196-D198 PolarHBondContact O-N 3.32Å; W196-D198 VanDerWaalsContact O-N 3.11Å
199D71.3Confident72.6Confident100 Ų100107 Ų10754%0.53556%0.563SS.*  trans-110.683.5-161.9-149-2.8000113.7W196 A201 A202W196-D199 WeakPolarHBondContact CZ2-O 3.3Å; W196-D199 PolarHBondContact NE1-O 2.86Å; W196-D199 PolarHBondContact O-N 2.86Å; D199-A201 PolarHBondContact O-N 3.08Å; D199-A202 PolarHBondContact O-N 3.05Å
200T73.8Confident72.9Confident113 Ų113107 Ų10769%0.69356%0.56SS**Hα-helixtrans-49.8-26.3-174.459.60000115.7W203T200-W203 WeakPolarHBondContact O-CB 3.48Å; T200-W203 PolarHBondContact O-N 3.39Å
201A79.2Confident73.7Confident55 Ų55104.6 Ų104.646%0.45554%0.543SS..Hα-helixtrans-59.8-50.9-178.800000112.1D199 W203 I204 E205D199-A201 PolarHBondContact O-N 3.08Å; A201-W203 PolarHBondContact O-N 2.94Å; A201-I204 WeakPolarHBondContact O-CB 3.23Å; A201-I204 PolarHBondContact O-N 3.22Å; A201-I204 VanDerWaalsContact O-N 3.16Å; A201-E205 PolarHBondContact O-N 3.38Å
202A78.6Confident74.6Confident25 Ų25107.8 Ų107.821%0.20754%0.542CS..Hα-helixtrans-74.8-6.8-177.600000113.4W196 D199 E205 R206W196-A202 HydrophobicContact CZ2-CB 3.85Å; D199-A202 PolarHBondContact O-N 3.05Å; A202-E205 PolarHBondContact O-N 3.18Å; A202-R206 WeakPolarHBondContact O-CB 3.45Å; A202-R206 WeakPolarHBondContact O-CG 3.26Å; A202-R206 PolarHBondContact O-N 3.2Å
203W79.8Confident75.7Confident168 Ų168109.8 Ų109.864%0.63655%0.551SS**Hα-helixtrans-72.6-42.7170.6-173.591.6000109.3W196 T200 A201 E205 S207W196-W203 HydrophobicContact CH2-CB 3.65Å; W196-W203 AromaticContact CH2-CD1 4Å; W196-W203 HydrophobicContact CH2-CG 4.25Å; W196-W203 HydrophobicContact CZ2-CB 3.87Å; T200-W203 WeakPolarHBondContact O-CB 3.48Å; T200-W203 PolarHBondContact O-N 3.39Å; A201-W203 PolarHBondContact O-N 2.94Å; W203-E205 VanDerWaalsContact C-N 3.31Å; W203-S207 WeakPolarHBondContact O-CB 3.29Å; W203-S207 PolarHBondContact O-N 3.23Å
204I86.2Confident77.1Confident108 Ų108110.1 Ų110.155%0.55455%0.547SS*.Hα-helixtrans-65.5-38.2173.7-56.4170.7000109.6A201 R208A201-I204 WeakPolarHBondContact O-CB 3.23Å; A201-I204 PolarHBondContact O-N 3.22Å; A201-I204 VanDerWaalsContact O-N 3.16Å; I204-R208 WeakPolarHBondContact O-CB 3.33Å; I204-R208 PolarHBondContact O-N 3.26Å
205E82.8Confident78.2Confident123 Ų123109.4 Ų109.458%0.57554%0.543SS*.Hα-helixtrans-67.9-51.1175.5-59.8-166.2150.400112.9A201 A202 W203 S207 R208 Q209A201-E205 PolarHBondContact O-N 3.38Å; A202-E205 PolarHBondContact O-N 3.18Å; W203-E205 VanDerWaalsContact C-N 3.31Å; E205-S207 PolarHBondContact O-N 3.26Å; E205-R208 CarbonylContact O-C 3.46Å; E205-R208 PolarHBondContact O-N 2.88Å; E205-Q209 WeakPolarHBondContact O-CB 3.39Å; E205-Q209 VanDerWaalsContact O-CG 3.29Å; E205-Q209 WeakPolarHBondContact O-CG 3.15Å; E205-Q209 PolarHBondContact O-N 3.37Å
206R80.1Confident79.5Confident124 Ų124107 Ų10747%0.46852%0.522SS..Hα-helixtrans-58-46.8174.5-76.7-172.1-171.6-175.25.9111.3A202 R208 Q209 L210A202-R206 WeakPolarHBondContact O-CB 3.45Å; A202-R206 WeakPolarHBondContact O-CG 3.26Å; A202-R206 PolarHBondContact O-N 3.2Å; R206-R208 VanDerWaalsContact C-N 3.3Å; R206-R208 PolarHBondContact O-N 3.04Å; R206-Q209 WeakPolarHBondContact O-CB 3.27Å; R206-Q209 PolarHBondContact O-N 2.59Å; R206-Q209 VanDerWaalsContact O-N 3.15Å; R206-L210 VanDerWaalsContact O-CB 3.3Å; R206-L210 WeakPolarHBondContact O-CB 3.32Å; R206-L210 PolarHBondContact O-N 2.76Å
207S85.8Confident80.6Confident48 Ų48106.9 Ų106.934%0.33653%0.533SS..Hα-helixtrans-58.2-43.8177.3-175.90000111.2W203 E205 L210 Q211W203-S207 WeakPolarHBondContact O-CB 3.29Å; W203-S207 PolarHBondContact O-N 3.23Å; E205-S207 PolarHBondContact O-N 3.26Å; S207-L210 PolarHBondContact O-N 2.73Å; S207-Q211 VanDerWaalsContact O-CB 3.28Å; S207-Q211 WeakPolarHBondContact O-CB 3.34Å; S207-Q211 PolarHBondContact O-N 2.97Å
208R89.3Confident82.1Confident174 Ų174106.8 Ų106.866%0.65753%0.529SS*.Hα-helixtrans-74.8-22.4177.4-164.3176.4-172.5-165.64.4113.9I204 E205 R206 K212I204-R208 WeakPolarHBondContact O-CB 3.33Å; I204-R208 PolarHBondContact O-N 3.26Å; E205-R208 CarbonylContact O-C 3.46Å; E205-R208 PolarHBondContact O-N 2.88Å; R206-R208 VanDerWaalsContact C-N 3.3Å; R206-R208 PolarHBondContact O-N 3.04Å; R208-K212 WeakPolarHBondContact O-CD 3.48Å; R208-K212 WeakPolarHBondContact O-CG 3.36Å; R208-K212 PolarHBondContact O-N 2.9Å
209Q86.7Confident83.5Confident102 Ų102105.1 Ų105.148%0.47751%0.514SS..Hα-helixtrans-73-54.5168.4-74.8165-7.800109.9E205 R206 Q211 K212 E213E205-Q209 WeakPolarHBondContact O-CB 3.39Å; E205-Q209 VanDerWaalsContact O-CG 3.29Å; E205-Q209 WeakPolarHBondContact O-CG 3.15Å; E205-Q209 PolarHBondContact O-N 3.37Å; R206-Q209 WeakPolarHBondContact O-CB 3.27Å; R206-Q209 PolarHBondContact O-N 2.59Å; R206-Q209 VanDerWaalsContact O-N 3.15Å; Q209-Q211 PolarHBondContact O-N 2.99Å; Q209-K212 CarbonylContact O-C 3.41Å; Q209-K212 WeakPolarHBondContact O-CA 3.16Å; Q209-K212 WeakPolarHBondContact O-CB 3.46Å; Q209-K212 PolarHBondContact O-N 3Å; Q209-E213 WeakPolarHBondContact O-CG 3.46Å; Q209-E213 PolarHBondContact O-N 3.16Å
210L84Confident84.1Confident92 Ų92108.6 Ų108.648%0.48252%0.52SS..Hα-helixtrans-57.1-35178-153.5172.9000111.3R206 S207 E213 K214R206-L210 VanDerWaalsContact O-CB 3.3Å; R206-L210 WeakPolarHBondContact O-CB 3.32Å; R206-L210 PolarHBondContact O-N 2.76Å; S207-L210 PolarHBondContact O-N 2.73Å; L210-E213 PolarHBondContact O-N 3.31Å; L210-K214 HydrophobicContact CD2-CD 3.89Å; L210-K214 HydrophobicContact CD2-CG 4.14Å; L210-K214 WeakPolarHBondContact O-CB 3.14Å; L210-K214 WeakPolarHBondContact O-CG 3.34Å; L210-K214 PolarHBondContact O-N 3.28Å
211Q85.4Confident84.5Confident122 Ų122105.9 Ų105.957%0.5751%0.509SS*.Hα-helixtrans-71.4-40.2173.4-162.4150.313.800112.8S207 Q209 E213 K214 D215S207-Q211 VanDerWaalsContact O-CB 3.28Å; S207-Q211 WeakPolarHBondContact O-CB 3.34Å; S207-Q211 PolarHBondContact O-N 2.97Å; Q209-Q211 PolarHBondContact O-N 2.99Å; Q211-E213 VanDerWaalsContact C-N 3.3Å; Q211-E213 PolarHBondContact O-N 3.08Å; Q211-K214 PolarHBondContact O-N 2.87Å; Q211-D215 WeakPolarHBondContact O-CB 3.15Å; Q211-D215 PolarHBondContact O-N 3.28Å
212K89.7Confident84.7Confident120 Ų120108.8 Ų108.852%0.52251%0.511SS..Hα-helixtrans-63.8-35169.8-71.2164-175.8175.10112.4R208 Q209 D215 L216R208-K212 WeakPolarHBondContact O-CD 3.48Å; R208-K212 WeakPolarHBondContact O-CG 3.36Å; R208-K212 PolarHBondContact O-N 2.9Å; Q209-K212 CarbonylContact O-C 3.41Å; Q209-K212 WeakPolarHBondContact O-CA 3.16Å; Q209-K212 WeakPolarHBondContact O-CB 3.46Å; Q209-K212 PolarHBondContact O-N 3Å; K212-D215 WeakPolarHBondContact O-CB 3.32Å; K212-L216 VanDerWaalsContact O-CB 3.27Å; K212-L216 WeakPolarHBondContact O-CB 3.29Å; K212-L216 WeakPolarHBondContact O-CG 3.49Å; K212-L216 PolarHBondContact O-N 2.69Å
213E84.5Confident84.7Confident126 Ų126112.5 Ų112.559%0.58953%0.527SS*.Hα-helixtrans-70.7-40.4177.7-73.2175.2161.100111.1Q209 L210 Q211 L216 A217Q209-E213 WeakPolarHBondContact O-CG 3.46Å; Q209-E213 PolarHBondContact O-N 3.16Å; L210-E213 PolarHBondContact O-N 3.31Å; Q211-E213 VanDerWaalsContact C-N 3.3Å; Q211-E213 PolarHBondContact O-N 3.08Å; E213-L216 PolarHBondContact O-N 3.35Å; E213-A217 WeakPolarHBondContact O-CB 3.23Å; E213-A217 PolarHBondContact O-N 2.91Å
214K88.8Confident84.6Confident134 Ų134109.7 Ų109.758%0.58352%0.524SS*.Hα-helixtrans-59.7-51.4167.9-79.1175.3173.6179.30111.4L210 Q211 L216 A217 E218L210-K214 HydrophobicContact CD2-CD 3.89Å; L210-K214 HydrophobicContact CD2-CG 4.14Å; L210-K214 WeakPolarHBondContact O-CB 3.14Å; L210-K214 WeakPolarHBondContact O-CG 3.34Å; L210-K214 PolarHBondContact O-N 3.28Å; Q211-K214 PolarHBondContact O-N 2.87Å; K214-L216 PolarHBondContact O-N 3.08Å; K214-A217 PolarHBondContact O-N 3.25Å; K214-A217 VanDerWaalsContact O-N 3.13Å; K214-E218 WeakPolarHBondContact O-CB 3.49Å; K214-E218 PolarHBondContact O-N 2.83Å
215D85.3Confident84.1Confident69 Ų69110 Ų11037%0.36952%0.523SS..Hα-helixtrans-55.5-34.5175.4-83.325.2000113.1Q211 K212 K219Q211-D215 WeakPolarHBondContact O-CB 3.15Å; Q211-D215 PolarHBondContact O-N 3.28Å; K212-D215 WeakPolarHBondContact O-CB 3.32Å; D215-K219 WeakPolarHBondContact O-CB 3.13Å; D215-K219 WeakPolarHBondContact O-CD 3.43Å; D215-K219 WeakPolarHBondContact O-CE 3.15Å; D215-K219 WeakPolarHBondContact O-CG 3.3Å; D215-K219 PolarHBondContact O-N 3.02Å; D215-K219 PolarHBondContact O-NZ 2.99Å; D215-K219 IonicContact OD2-NZ 2.67Å
216L88.7Confident83.9Confident87 Ų87108.5 Ų108.546%0.45552%0.516SS..Hα-helixtrans-84.5-31.5178.1-76.9169.5000112.6K212 E213 K214 R220K212-L216 VanDerWaalsContact O-CB 3.27Å; K212-L216 WeakPolarHBondContact O-CB 3.29Å; K212-L216 WeakPolarHBondContact O-CG 3.49Å; K212-L216 PolarHBondContact O-N 2.69Å; E213-L216 PolarHBondContact O-N 3.35Å; K214-L216 PolarHBondContact O-N 3.08Å; L216-R220 WeakPolarHBondContact O-CB 3.49Å; L216-R220 VanDerWaalsContact O-CG 3.3Å; L216-R220 WeakPolarHBondContact O-CG 3.37Å; L216-R220 PolarHBondContact O-N 2.9Å
217A81.6Confident83.3Confident54 Ų54106.5 Ų106.545%0.44651%0.513SS..Hα-helixtrans-70.5-42173.200000110.6E213 K214 R220 A221E213-A217 WeakPolarHBondContact O-CB 3.23Å; E213-A217 PolarHBondContact O-N 2.91Å; K214-A217 PolarHBondContact O-N 3.25Å; K214-A217 VanDerWaalsContact O-N 3.13Å; A217-R220 PolarHBondContact O-N 3.42Å; A217-A221 VanDerWaalsContact O-CB 3.23Å; A217-A221 WeakPolarHBondContact O-CB 3.45Å; A217-A221 PolarHBondContact O-N 3.2Å
218E85.3Confident82.3Confident138 Ų138108.1 Ų108.165%0.64552%0.518SS*.Hα-helixtrans-63.1-43173.3-172.4178.5-178.600111.1K214 R220 A221 K222K214-E218 WeakPolarHBondContact O-CB 3.49Å; K214-E218 PolarHBondContact O-N 2.83Å; E218-R220 PolarHBondContact O-N 3.04Å; E218-A221 PolarHBondContact O-N 3.14Å; E218-K222 VanDerWaalsContact O-CB 3.24Å; E218-K222 WeakPolarHBondContact O-CB 3.21Å; E218-K222 PolarHBondContact O-N 3.07Å
219K87Confident81.4Confident126 Ų126106.8 Ų106.855%0.54852%0.519SS..Hα-helixtrans-65.4-36173.7-73.3163.3-162.7136.90113D215 L223D215-K219 WeakPolarHBondContact O-CB 3.13Å; D215-K219 WeakPolarHBondContact O-CD 3.43Å; D215-K219 WeakPolarHBondContact O-CE 3.15Å; D215-K219 WeakPolarHBondContact O-CG 3.3Å; D215-K219 PolarHBondContact O-N 3.02Å; D215-K219 PolarHBondContact O-NZ 2.99Å; D215-K219 IonicContact OD2-NZ 2.67Å; K219-L223 VanDerWaalsContact O-CB 3.29Å; K219-L223 WeakPolarHBondContact O-CB 3.4Å; K219-L223 PolarHBondContact O-N 3.01Å
220R84.2Confident80.1Confident172 Ų172109.1 Ų109.165%0.64953%0.53SS*.Hα-helixtrans-71-42.2173.5-79-178.3-178.3109.8-7.6112.3L216 A217 E218 L223 L224L216-R220 WeakPolarHBondContact O-CB 3.49Å; L216-R220 VanDerWaalsContact O-CG 3.3Å; L216-R220 WeakPolarHBondContact O-CG 3.37Å; L216-R220 PolarHBondContact O-N 2.9Å; A217-R220 PolarHBondContact O-N 3.42Å; E218-R220 PolarHBondContact O-N 3.04Å; R220-L223 PolarHBondContact O-N 3.06Å; R220-L224 PolarHBondContact O-N 2.9Å
221A82.1Confident78.8Confident57 Ų57112.6 Ų112.647%0.47154%0.542SS..Hα-helixtrans-64.6-44.817800000110.7A217 E218 L223 L224 E225A217-A221 VanDerWaalsContact O-CB 3.23Å; A217-A221 WeakPolarHBondContact O-CB 3.45Å; A217-A221 PolarHBondContact O-N 3.2Å; E218-A221 PolarHBondContact O-N 3.14Å; A221-L223 PolarHBondContact O-N 3.07Å; A221-L224 CarbonylContact O-C 3.58Å; A221-L224 WeakPolarHBondContact O-CB 3.38Å; A221-L224 PolarHBondContact O-N 3.09Å; A221-E225 WeakPolarHBondContact O-CB 3.34Å; A221-E225 PolarHBondContact O-N 2.95Å
222K83.5Confident77.7Confident115 Ų115108.4 Ų108.450%0.553%0.531SS..Hα-helixtrans-62.1-41173.2176.9167.7173.4168.20112.5E218 L224 E225 E226E218-K222 VanDerWaalsContact O-CB 3.24Å; E218-K222 WeakPolarHBondContact O-CB 3.21Å; E218-K222 PolarHBondContact O-N 3.07Å; K222-L224 VanDerWaalsContact C-N 3.32Å; K222-E225 PolarHBondContact O-N 3.24Å; K222-E226 VanDerWaalsContact CE-CD 3.48Å; K222-E226 WeakPolarHBondContact CE-OE1 3.47Å; K222-E226 HydrophobicContact CG-CG 4.41Å; K222-E226 IonicContact NZ-OE1 2.65Å; K222-E226 PolarHBondContact NZ-OE1 3.32Å; K222-E226 WeakPolarHBondContact O-CB 3.34Å; K222-E226 WeakPolarHBondContact O-CG 3.26Å; K222-E226 PolarHBondContact O-N 3.37Å
223L78.5Confident76.1Confident104 Ų104105 Ų10555%0.54552%0.52SS..Hα-helixtrans-67.6-33.6175.4-173.4147.4000111.9K219 R220 A221 M227K219-L223 VanDerWaalsContact O-CB 3.29Å; K219-L223 WeakPolarHBondContact O-CB 3.4Å; K219-L223 PolarHBondContact O-N 3.01Å; R220-L223 PolarHBondContact O-N 3.06Å; A221-L223 PolarHBondContact O-N 3.07Å; L223-M227 HydrophobicContact CD2-CG 4.31Å; L223-M227 WeakPolarHBondContact O-CB 3.25Å; L223-M227 WeakPolarHBondContact O-CG 3.15Å; L223-M227 PolarHBondContact O-N 3.39Å
224L76.8Confident74.8Confident109 Ų109102.9 Ų102.957%0.57152%0.519SS*.Hα-helixtrans-64.5-45.4168.9-113.867.9000111.4R220 A221 K222 M227 D228R220-L224 PolarHBondContact O-N 2.9Å; A221-L224 CarbonylContact O-C 3.58Å; A221-L224 WeakPolarHBondContact O-CB 3.38Å; A221-L224 PolarHBondContact O-N 3.09Å; K222-L224 VanDerWaalsContact C-N 3.32Å; L224-M227 CarbonylContact O-C 3.58Å; L224-M227 PolarHBondContact O-N 3.42Å; L224-M227 VanDerWaalsContact O-N 3.15Å; L224-D228 WeakPolarHBondContact O-CB 3.34Å; L224-D228 PolarHBondContact O-N 2.86Å
225E75.7Confident73.7Confident115 Ų115100.7 Ų100.754%0.53752%0.517SS..Hα-helixtrans-64.7-40179.6-170.4-176.7-175.700112A221 K222 D228 Q229A221-E225 WeakPolarHBondContact O-CB 3.34Å; A221-E225 PolarHBondContact O-N 2.95Å; K222-E225 PolarHBondContact O-N 3.24Å; E225-D228 PolarHBondContact O-N 3.09Å; E225-Q229 WeakPolarHBondContact O-CB 3.44Å; E225-Q229 VanDerWaalsContact O-CG 3.22Å; E225-Q229 WeakPolarHBondContact O-CG 3.47Å; E225-Q229 PolarHBondContact O-N 3Å
226E78.3Confident72.7Confident91 Ų91103 Ų10343%0.42553%0.529SS..Hα-helixtrans-64.4-38.3172-73.3173.216300111.1K222 E230K222-E226 VanDerWaalsContact CE-CD 3.48Å; K222-E226 WeakPolarHBondContact CE-OE1 3.47Å; K222-E226 HydrophobicContact CG-CG 4.41Å; K222-E226 IonicContact NZ-OE1 2.65Å; K222-E226 PolarHBondContact NZ-OE1 3.32Å; K222-E226 WeakPolarHBondContact O-CB 3.34Å; K222-E226 WeakPolarHBondContact O-CG 3.26Å; K222-E226 PolarHBondContact O-N 3.37Å; E226-E230 WeakPolarHBondContact O-CG 3.41Å; E226-E230 PolarHBondContact O-N 3.15Å; E226-E230 VanDerWaalsContact O-N 3.14Å
227M68.9Low71.5Confident81 Ų81101.6 Ų101.640%0.39952%0.524SS..Hα-helixtrans-71.9-37.9174.1-67.2-78.886.200113.6L223 L224 Q229 E230 F231L223-M227 HydrophobicContact CD2-CG 4.31Å; L223-M227 WeakPolarHBondContact O-CB 3.25Å; L223-M227 WeakPolarHBondContact O-CG 3.15Å; L223-M227 PolarHBondContact O-N 3.39Å; L224-M227 CarbonylContact O-C 3.58Å; L224-M227 PolarHBondContact O-N 3.42Å; L224-M227 VanDerWaalsContact O-N 3.15Å; M227-Q229 VanDerWaalsContact C-N 3.31Å; M227-Q229 PolarHBondContact O-N 3.29Å; M227-E230 VanDerWaalsContact CE-OE2 3.23Å; M227-E230 WeakPolarHBondContact CE-OE2 3.35Å; M227-E230 PolarHBondContact O-N 2.98Å; M227-F231 WeakPolarHBondContact O-CB 3.32Å; M227-F231 PolarHBondContact O-N 3.37Å
228D63.6Low70.8Confident82 Ų82106.3 Ų106.344%0.43954%0.537SS..Hα-helixtrans-64.9-37.6175.6-79.2-23.7000111.1L224 E225 G232L224-D228 WeakPolarHBondContact O-CB 3.34Å; L224-D228 PolarHBondContact O-N 2.86Å; E225-D228 PolarHBondContact O-N 3.09Å; D228-G232 PolarHBondContact O-N 2.9Å
229Q70.3Confident70Confident146 Ų146105.5 Ų105.568%0.68253%0.533SS*.Hα-helixtrans-67.6-32.8173.7-73.71773700113E225 M227E225-Q229 WeakPolarHBondContact O-CB 3.44Å; E225-Q229 VanDerWaalsContact O-CG 3.22Å; E225-Q229 WeakPolarHBondContact O-CG 3.47Å; E225-Q229 PolarHBondContact O-N 3Å; M227-Q229 VanDerWaalsContact C-N 3.31Å; M227-Q229 PolarHBondContact O-N 3.29Å
230E60.6Low69.1Low152 Ų152103.6 Ų103.671%0.7153%0.526SS*.Hα-helixtrans-87.2-34.8179.6-73.5-171.7166.400114.2E226 M227E226-E230 WeakPolarHBondContact O-CG 3.41Å; E226-E230 PolarHBondContact O-N 3.15Å; E226-E230 VanDerWaalsContact O-N 3.14Å; M227-E230 VanDerWaalsContact CE-OE2 3.23Å; M227-E230 WeakPolarHBondContact CE-OE2 3.35Å; M227-E230 PolarHBondContact O-N 2.98Å
231F57Low68.1Low165 Ų165100.9 Ų100.972%0.72452%0.519SS*.Hα-helixtrans-101.7-11.6-175.3-100.3-97.1000115.3M227 V233M227-F231 WeakPolarHBondContact O-CB 3.32Å; M227-F231 PolarHBondContact O-N 3.37Å; F231-V233 VanDerWaalsContact C-N 3.27Å; F231-V233 HydrophobicContact CB-CG2 3.65Å; F231-V233 PolarHBondContact O-N 3.2Å
232G62.2Low67.1Low33 Ų3399.5 Ų99.534%0.3451%0.51SS..  trans64.431.3178.500000113.6D228 S234 T235D228-G232 PolarHBondContact O-N 2.9Å; G232-S234 PolarHBondContact O-N 3.22Å; G232-T235 PolarHBondContact O-N 3.14Å; G232-T235 PolarHBondContact O-OG1 3.27Å
233V56.1Low66.2Low50 Ų5099.4 Ų99.430%0.30351%0.512SS..Hα-helixtrans-59.7-25.1-169.2-176.50000112.7F231 T235 L236 V237F231-V233 VanDerWaalsContact C-N 3.27Å; F231-V233 HydrophobicContact CB-CG2 3.65Å; F231-V233 PolarHBondContact O-N 3.2Å; V233-T235 PolarHBondContact O-N 2.93Å; V233-L236 PolarHBondContact O-N 3.45Å; V233-L236 VanDerWaalsContact O-N 3.16Å; V233-V237 HydrophobicContact CG1-CG2 3.71Å; V233-V237 WeakPolarHBondContact O-CB 3.23Å; V233-V237 WeakPolarHBondContact O-CG2 3.29Å; V233-V237 PolarHBondContact O-N 2.92Å
234S57.3Low65.4Low80 Ų80100.3 Ų100.356%0.55951%0.508SS*.Hα-helixtrans-55.7-43.4178.1530000113.9G232 V237 E238G232-S234 PolarHBondContact O-N 3.22Å; S234-V237 PolarHBondContact O-N 3.03Å; S234-E238 WeakPolarHBondContact O-CG 3.49Å; S234-E238 PolarHBondContact O-N 3.29Å
235T64.2Low64.7Low89 Ų89104.2 Ų104.255%0.54652%0.515SS..Hα-helixtrans-71.5-35.1178.157.20000111.7G232 V233 V237 E238 E239G232-T235 PolarHBondContact O-N 3.14Å; G232-T235 PolarHBondContact O-OG1 3.27Å; V233-T235 PolarHBondContact O-N 2.93Å; T235-V237 VanDerWaalsContact C-N 3.35Å; T235-E238 PolarHBondContact O-N 2.91Å; T235-E239 WeakPolarHBondContact O-CB 3.4Å; T235-E239 WeakPolarHBondContact O-CG 3.47Å; T235-E239 PolarHBondContact O-N 3.14Å
236L64.2Low64Low117 Ų117106 Ų10661%0.61352%0.523SS*.Hα-helixtrans-68.1-36.1176.3-143.177.2000111.6V233 E239 E240V233-L236 PolarHBondContact O-N 3.45Å; V233-L236 VanDerWaalsContact O-N 3.16Å; L236-E239 PolarHBondContact O-N 2.79Å; L236-E240 WeakPolarHBondContact O-CB 3.4Å; L236-E240 PolarHBondContact O-N 3.08Å
237V65.1Low63.3Low58 Ų58107.8 Ų107.835%0.35254%0.536SS..Hα-helixtrans-73.9-36.3176.2167.90000111.6V233 S234 T235 E240 F241V233-V237 HydrophobicContact CG1-CG2 3.71Å; V233-V237 WeakPolarHBondContact O-CB 3.23Å; V233-V237 WeakPolarHBondContact O-CG2 3.29Å; V233-V237 PolarHBondContact O-N 2.92Å; S234-V237 PolarHBondContact O-N 3.03Å; T235-V237 VanDerWaalsContact C-N 3.35Å; V237-E240 PolarHBondContact O-N 3.49Å; V237-F241 HydrophobicContact CG1-CD2 3.71Å; V237-F241 HydrophobicContact CG1-CE2 3.9Å; V237-F241 WeakPolarHBondContact O-CB 3.43Å; V237-F241 WeakPolarHBondContact O-CD2 3.48Å; V237-F241 PolarHBondContact O-N 3.4Å
238E66.1Low63.3Low152 Ų152109.5 Ų109.571%0.7155%0.546SS*.Hα-helixtrans-64.5-40.9170-75.6-170.1145.500111.7S234 T235 G242S234-E238 WeakPolarHBondContact O-CG 3.49Å; S234-E238 PolarHBondContact O-N 3.29Å; T235-E238 PolarHBondContact O-N 2.91Å; E238-G242 PolarHBondContact O-N 3.11Å
239E68.6Low63.8Low122 Ų122114.9 Ų114.957%0.5756%0.561SS**Hα-helixtrans-65.7-37.9172.8-74.7-177165.900112.5T235 L236 G242 Q243T235-E239 WeakPolarHBondContact O-CB 3.4Å; T235-E239 WeakPolarHBondContact O-CG 3.47Å; T235-E239 PolarHBondContact O-N 3.14Å; L236-E239 PolarHBondContact O-N 2.79Å; E239-G242 PolarHBondContact O-N 2.89Å; E239-Q243 WeakPolarHBondContact O-CG 3.42Å; E239-Q243 PolarHBondContact O-N 2.83Å; E239-Q243 PolarHBondContact O-NE2 3.44Å
240E67.3Low64.3Low86 Ų86111 Ų11140%0.40255%0.55SS.*Hα-helixtrans-74.1-42.6179.1-158.1-165.217300112.3L236 V237 G242 Q243 R244L236-E240 WeakPolarHBondContact O-CB 3.4Å; L236-E240 PolarHBondContact O-N 3.08Å; V237-E240 PolarHBondContact O-N 3.49Å; E240-G242 PolarHBondContact O-N 3.38Å; E240-Q243 PolarHBondContact O-N 2.82Å; E240-R244 WeakPolarHBondContact O-CB 3.4Å; E240-R244 WeakPolarHBondContact O-CG 3.45Å; E240-R244 PolarHBondContact O-N 2.77Å; E240-R244 IonicContact OE1-CZ 3.52Å; E240-R244 VanDerWaalsContact OE1-CZ 3.25Å; E240-R244 IonicContact OE1-NE 3.43Å; E240-R244 PolarHBondContact OE1-NE 3.11Å; E240-R244 VanDerWaalsContact OE1-NE 3.11Å; E240-R244 IonicContact OE1-NH2 2.8Å; E240-R244 PolarHBondContact OE1-NH2 3.36Å; E240-R244 IonicContact OE2-CZ 2.69Å; E240-R244 IonicContact OE2-NH2 3.35Å; E240-R244 PolarHBondContact OE2-NH2 3.1Å
241F64.1Low65.4Low115 Ų115106.1 Ų106.150%0.50454%0.536SS..Hα-helixtrans-65.7-29.6170.6-89.1-97.1000111.8V237 R245V237-F241 HydrophobicContact CG1-CD2 3.71Å; V237-F241 HydrophobicContact CG1-CE2 3.9Å; V237-F241 WeakPolarHBondContact O-CB 3.43Å; V237-F241 WeakPolarHBondContact O-CD2 3.48Å; V237-F241 PolarHBondContact O-N 3.4Å; F241-R245 WeakPolarHBondContact O-CB 3.35Å; F241-R245 VanDerWaalsContact O-CG 3.3Å; F241-R245 WeakPolarHBondContact O-CG 3.49Å; F241-R245 PolarHBondContact O-N 3.12Å; F241-R245 VanDerWaalsContact O-N 3.13Å
242G61.9Low66.7Low27 Ų27107.1 Ų107.128%0.27854%0.535SS..Hα-helixtrans-65.6-43.9170.900000113E238 E239 E240 Q246E238-G242 PolarHBondContact O-N 3.11Å; E239-G242 PolarHBondContact O-N 2.89Å; E240-G242 PolarHBondContact O-N 3.38Å; G242-Q246 PolarHBondContact O-N 3.47Å; G242-Q246 PolarHBondContact O-NE2 3.48Å
243Q64.1Low67.9Low114 Ų114110.2 Ų110.253%0.53354%0.544SS..Hα-helixtrans-67-51.9175-77163.881.800111.4E239 E240 R245 Q246 D247E239-Q243 WeakPolarHBondContact O-CG 3.42Å; E239-Q243 PolarHBondContact O-N 2.83Å; E239-Q243 PolarHBondContact O-NE2 3.44Å; E240-Q243 PolarHBondContact O-N 2.82Å; Q243-R245 PolarHBondContact O-N 2.96Å; Q243-Q246 WeakPolarHBondContact O-CA 3.4Å; Q243-Q246 WeakPolarHBondContact O-CB 3.47Å; Q243-Q246 PolarHBondContact O-N 2.9Å; Q243-D247 PolarHBondContact O-N 3.46Å
244R61.7Low69.3Low122 Ų122111.4 Ų111.446%0.4655%0.548SS..Hα-helixtrans-53.7-32.8176.2-69.7169.6-176.9-168.14.4112.6E240 L248E240-R244 WeakPolarHBondContact O-CB 3.4Å; E240-R244 WeakPolarHBondContact O-CG 3.45Å; E240-R244 PolarHBondContact O-N 2.77Å; E240-R244 IonicContact OE1-CZ 3.52Å; E240-R244 VanDerWaalsContact OE1-CZ 3.25Å; E240-R244 IonicContact OE1-NE 3.43Å; E240-R244 PolarHBondContact OE1-NE 3.11Å; E240-R244 VanDerWaalsContact OE1-NE 3.11Å; E240-R244 IonicContact OE1-NH2 2.8Å; E240-R244 PolarHBondContact OE1-NH2 3.36Å; E240-R244 IonicContact OE2-CZ 2.69Å; E240-R244 IonicContact OE2-NH2 3.35Å; E240-R244 PolarHBondContact OE2-NH2 3.1Å; R244-L248 WeakPolarHBondContact O-CG 3.43Å; R244-L248 PolarHBondContact O-N 3.47Å
245R61.3Low70.8Confident192 Ų192112.5 Ų112.573%0.72554%0.544SS*.Hα-helixtrans-72.2-26.3174.2-82.6179.2175.3-170.11.1114.6F241 Q243F241-R245 WeakPolarHBondContact O-CB 3.35Å; F241-R245 VanDerWaalsContact O-CG 3.3Å; F241-R245 WeakPolarHBondContact O-CG 3.49Å; F241-R245 PolarHBondContact O-N 3.12Å; F241-R245 VanDerWaalsContact O-N 3.13Å; Q243-R245 PolarHBondContact O-N 2.96Å
246Q60.5Low71.8Confident152 Ų152109.4 Ų109.471%0.7153%0.53SS*.Hα-helixtrans-79.8-33.6172.9-66.8173.85200111G242 Q243 L248G242-Q246 PolarHBondContact O-N 3.47Å; G242-Q246 PolarHBondContact O-NE2 3.48Å; Q243-Q246 WeakPolarHBondContact O-CA 3.4Å; Q243-Q246 WeakPolarHBondContact O-CB 3.47Å; Q243-Q246 PolarHBondContact O-N 2.9Å; Q246-L248 VanDerWaalsContact C-N 3.29Å; Q246-L248 PolarHBondContact O-N 3Å
247D63.8Low73.1Confident129 Ų129106 Ų10669%0.6951%0.512SS*.Hα-helixtrans-71.5-18.6176.8-62.3-43.4000114.1Q243 Y249Q243-D247 PolarHBondContact O-N 3.46Å; D247-Y249 VanDerWaalsContact C-N 3.29Å; D247-Y249 PolarHBondContact O-N 2.88Å
248L68.8Low74.3Confident117 Ų117104.3 Ų104.361%0.61350%0.502SS*.THydrogen-bonded Turntrans-69.6-16.6-177.9-85.7174.6000115.1R244 Q246R244-L248 WeakPolarHBondContact O-CG 3.43Å; R244-L248 PolarHBondContact O-N 3.47Å; Q246-L248 VanDerWaalsContact C-N 3.29Å; Q246-L248 PolarHBondContact O-N 3Å
249Y74.9Confident75.6Confident194 Ų19497.1 Ų97.176%0.76147%0.468SS*.  trans-136.8103.3-179.3-65.6-73.9000111D247D247-Y249 VanDerWaalsContact C-N 3.29Å; D247-Y249 PolarHBondContact O-N 2.88Å
250S81.4Confident76.7Confident64 Ų6493 Ų9345%0.44845%0.449SS..  trans-95.5166.8177-164.90000111.3R252 D253S250-R252 PolarHBondContact O-N 3.06Å; S250-R252 VanDerWaalsContact O-N 3.09Å; S250-D253 WeakPolarHBondContact CA-OD2 3.39Å; S250-D253 WeakPolarHBondContact CB-OD2 3.44Å; S250-D253 PolarHBondContact N-OD2 3.18Å; S250-D253 PolarHBondContact O-N 3.04Å
251A83.3Confident77.8Confident50 Ų5089 Ų8941%0.41343%0.43SS..G310 helixtrans-57.9-23.6170.300000112.5D253 L254 G354 G355A251-D253 VanDerWaalsContact C-N 3.27Å; A251-D253 PolarHBondContact O-N 3.26Å; A251-L254 PolarHBondContact O-N 2.82Å; A251-G354 CarbonylContact C-O 3.3Å; A251-G354 WeakPolarHBondContact CB-O 3.47Å; A251-G354 CarbonylContact O-C 3.52Å; A251-G354 VanDerWaalsContact O-C 3.3Å; A251-G355 WeakPolarHBondContact O-CA 3.43Å; A251-G355 PolarHBondContact O-N 3.48Å
252R84.6Confident79.1Confident186 Ų18684.9 Ų84.970%0.70242%0.417SS*.G310 helixtrans-59.2-35172.5-65.6178.6178.7170.60.8113.2S250 L254 Q255S250-R252 PolarHBondContact O-N 3.06Å; S250-R252 VanDerWaalsContact O-N 3.09Å; R252-L254 PolarHBondContact O-N 2.71Å; R252-Q255 WeakPolarHBondContact O-CB 3.01Å; R252-Q255 PolarHBondContact O-N 2.88Å; R252-Q255 VanDerWaalsContact O-N 3.14Å
253D86.6Confident80.2Confident99 Ų9985.1 Ų85.153%0.52941%0.412SS..G310 helixtrans-81-8.3-174.8-49-59.4000112.2S250 A251 Q255S250-D253 WeakPolarHBondContact CA-OD2 3.39Å; S250-D253 WeakPolarHBondContact CB-OD2 3.44Å; S250-D253 PolarHBondContact N-OD2 3.18Å; S250-D253 PolarHBondContact O-N 3.04Å; A251-D253 VanDerWaalsContact C-N 3.27Å; A251-D253 PolarHBondContact O-N 3.26Å; D253-Q255 VanDerWaalsContact C-N 3.33Å
254L86.1Confident81.4Confident74 Ų7485.1 Ų85.139%0.38742%0.416SS..G310 helixtrans-85.4-4.3168.5-55.1177.1000112.9A251 R252 G256 L257 L351A251-L254 PolarHBondContact O-N 2.82Å; R252-L254 PolarHBondContact O-N 2.71Å; L254-G256 PolarHBondContact O-N 3.23Å; L254-L257 HydrophobicContact CD2-CD1 4.03Å; L254-L257 PolarHBondContact O-N 2.96Å; L254-L351 HydrophobicContact CB-CD1 3.9Å; L254-L351 WeakPolarHBondContact O-CD1 3.46Å
255Q88.1Confident82.6Confident104 Ų10481.3 Ų81.349%0.48641%0.407SS..THydrogen-bonded Turntrans-55.4128.6178.7174.4-176.1-47.700111.1R252 D253 L257 Q353R252-Q255 WeakPolarHBondContact O-CB 3.01Å; R252-Q255 PolarHBondContact O-N 2.88Å; R252-Q255 VanDerWaalsContact O-N 3.14Å; D253-Q255 VanDerWaalsContact C-N 3.33Å; Q255-L257 VanDerWaalsContact C-N 3.29Å; Q255-L257 PolarHBondContact O-N 2.86Å; Q255-Q353 HydrophobicContact CG-CG 4.45Å
256G86.1Confident83.9Confident23 Ų2375.1 Ų75.124%0.23739%0.386CS..THydrogen-bonded Turntrans80.9-0.4174.900000115.2L254 R350 L351L254-G256 PolarHBondContact O-N 3.23Å; G256-R350 PolarHBondContact O-NE 2.95Å; G256-R350 PolarHBondContact O-NH2 2.88Å; G256-L351 WeakPolarHBondContact CA-O 3.37Å; G256-L351 PolarHBondContact N-O 3.37Å
257L90.6Very high85.3Confident46 Ų4675.6 Ų75.624%0.24138%0.381CS..PPolyproline II helixtrans-71.3149.9162.3-68.4174.7000110.1L254 Q255 D287 L289 L351L254-L257 HydrophobicContact CD2-CD1 4.03Å; L254-L257 PolarHBondContact O-N 2.96Å; Q255-L257 VanDerWaalsContact C-N 3.29Å; Q255-L257 PolarHBondContact O-N 2.86Å; L257-D287 HydrophobicContact CD2-CB 4.38Å; L257-L289 HydrophobicContact CB-CD1 4.07Å; L257-L289 HydrophobicContact CB-CG 4.48Å; L257-L289 HydrophobicContact CD1-CD1 3.81Å; L257-L289 HydrophobicContact CD1-CG 4.22Å; L257-L351 PolarHBondContact O-N 2.8Å
258T91.4Very high86.4Confident22 Ų2279.3 Ų79.314%0.13540%0.395CS..EExtended strand (participates in β ladder)trans-99.114017452.90000111.6V288 L289 F349 R350T258-V288 CarbonylContact O-C 3.5Å; T258-V288 WeakPolarHBondContact O-CA 3.34Å; T258-V288 VanDerWaalsContact OG1-CG1 3.29Å; T258-V288 WeakPolarHBondContact OG1-CG1 3.18Å; T258-L289 PolarHBondContact O-N 2.71Å; T258-F349 CarbonylContact C-O 3.54Å; T258-F349 VanDerWaalsContact CA-O 3.27Å; T258-F349 WeakPolarHBondContact CA-O 3.39Å; T258-R350 HydrophobicContact CG2-CB 4.06Å; T258-R350 HydrophobicContact CG2-CG 3.88Å
259V92.4Very high87.3Confident1 Ų177.7 Ų77.71%0.00641%0.406CS..EExtended strand (participates in β ladder)trans-102.5118.9173-177.20000108.1H261 F266 L274 L289 S348 F349 L351V259-H261 HydrophobicContact CG1-CB 4.35Å; V259-H261 PolarHBondContact O-N 2.65Å; V259-F266 HydrophobicContact CG1-CE2 4.27Å; V259-F266 HydrophobicContact CG1-CZ 3.95Å; V259-L274 HydrophobicContact CG1-CD1 4.35Å; V259-L274 HydrophobicContact CG1-CD2 4Å; V259-L274 HydrophobicContact CG2-CD1 4.04Å; V259-L289 CarbonylContact C-O 3.52Å; V259-L289 VanDerWaalsContact CA-O 3.26Å; V259-L289 WeakPolarHBondContact CA-O 3.47Å; V259-L289 HydrophobicContact CG2-CB 4.18Å; V259-S348 WeakPolarHBondContact O-CA 3.18Å; V259-S348 WeakPolarHBondContact O-CB 3.44Å; V259-F349 HydrophobicContact CB-CD1 4.45Å; V259-F349 HydrophobicContact CB-CD2 4.26Å; V259-F349 HydrophobicContact CB-CE1 4.03Å; V259-F349 HydrophobicContact CB-CE2 3.82Å; V259-F349 HydrophobicContact CB-CZ 3.7Å; V259-F349 HydrophobicContact CG1-CE1 4.07Å; V259-F349 HydrophobicContact CG1-CE2 4.43Å; V259-F349 HydrophobicContact CG1-CZ 3.83Å; V259-F349 HydrophobicContact CG2-CD2 4.42Å; V259-F349 HydrophobicContact CG2-CE2 3.79Å; V259-F349 HydrophobicContact CG2-CZ 4.02Å; V259-F349 PolarHBondContact N-O 3.35Å; V259-F349 PolarHBondContact O-N 3.38Å; V259-F349 VanDerWaalsContact O-N 3.11Å; V259-L351 HydrophobicContact CG2-CD1 4.3Å; V259-L351 HydrophobicContact CG2-CD2 3.95Å; V259-L351 HydrophobicContact CG2-CG 4.06Å
260E91.7Very high88Confident37 Ų3772.9 Ų72.917%0.17339%0.39CS..  trans-83.659177.2-69.2-175178.700112.3K277 V288 L289 V290 P346 H347E260-K277 IonicContact OE1-NZ 3.17Å; E260-K277 PolarHBondContact OE1-NZ 3.41Å; E260-K277 WeakPolarHBondContact OE2-CD 3.41Å; E260-K277 WeakPolarHBondContact OE2-CE 3.47Å; E260-K277 IonicContact OE2-NZ 2.75Å; E260-K277 PolarHBondContact OE2-NZ 2.9Å; E260-V288 HydrophobicContact CG-CB 4.09Å; E260-V288 HydrophobicContact CG-CG1 4.47Å; E260-V288 HydrophobicContact CG-CG2 3.92Å; E260-L289 PolarHBondContact N-O 2.68Å; E260-V290 HydrophobicContact CB-CG2 4.1Å; E260-P346 HydrophobicContact CG-CG 4.39Å; E260-H347 CarbonylContact C-O 3.57Å; E260-H347 VanDerWaalsContact C-O 3.25Å
261H90.9Very high88.4Confident1 Ų176.9 Ų76.91%0.00541%0.412CS..SBendtrans-142.5154168.1-69.2-54.8000110.5V259 I263 F266 N291 L294 E298 H347 F349V259-H261 HydrophobicContact CG1-CB 4.35Å; V259-H261 PolarHBondContact O-N 2.65Å; H261-I263 PolarHBondContact O-N 3.48Å; H261-F266 HydrophobicContact CB-CE2 3.78Å; H261-F266 HydrophobicContact CB-CZ 4.11Å; H261-N291 PolarHBondContact NE2-N 2.7Å; H261-N291 PolarHBondContact NE2-O 2.81Å; H261-L294 HydrophobicContact CB-CD1 4.12Å; H261-L294 WeakPolarHBondContact CE1-CB 3.27Å; H261-L294 WeakPolarHBondContact ND1-CB 3.42Å; H261-E298 IonicContact CE1-OE1 2.59Å; H261-E298 IonicContact CG-OE1 2.99Å; H261-E298 IonicContact ND1-OE1 3.79Å; H261-E298 PolarHBondContact ND1-OE1 3.33Å; H261-H347 CarbonylContact C-O 3.59Å; H261-H347 WeakPolarHBondContact CA-O 3.45Å; H261-H347 PolarHBondContact N-O 2.79Å; H261-H347 VanDerWaalsContact N-O 3.08Å; H261-F349 WeakPolarHBondContact O-CD1 3.49Å; H261-F349 VanDerWaalsContact O-CE1 3.27Å; H261-F349 WeakPolarHBondContact O-CE1 3.49Å
262A89.9Confident88.7Confident28 Ų2876.7 Ų76.723%0.23140%0.403CS..  trans-65.8132.5168.700000110.5D264 S265 H347A262-D264 PolarHBondContact O-N 3.37Å; A262-S265 WeakPolarHBondContact O-CB 3.31Å; A262-S265 PolarHBondContact O-N 2.76Å; A262-S265 PolarHBondContact O-OG 3.31Å; A262-S265 VanDerWaalsContact O-OG 3.06Å; A262-H347 HydrophobicContact CB-CB 3.83Å
263I87Confident89Confident33 Ų3374.3 Ų74.317%0.16940%0.404CS..G310 helixtrans-57.8-34.3-176.5-167.3150.8000113.2H261 S265 F266 F349 A357 E362H261-I263 PolarHBondContact O-N 3.48Å; I263-S265 PolarHBondContact O-N 3.02Å; I263-S265 VanDerWaalsContact O-N 3.09Å; I263-F266 PolarHBondContact O-N 3.48Å; I263-F349 HydrophobicContact CB-CD1 3.96Å; I263-F349 HydrophobicContact CB-CE1 3.98Å; I263-F349 HydrophobicContact CG1-CE1 4.32Å; I263-A357 HydrophobicContact CD1-CB 4.18Å; I263-E362 VanDerWaalsContact CG2-OE2 3.3Å; I263-E362 WeakPolarHBondContact CG2-OE2 3.37Å
264D87.8Confident89.3Confident114 Ų11472.3 Ų72.361%0.6139%0.392SS*.G310 helixtrans-63.8-11.5174.7-71.1-8.9000114.4A262 F266 R363A262-D264 PolarHBondContact O-N 3.37Å; D264-F266 VanDerWaalsContact C-N 3.3Å; D264-R363 IonicContact OD1-CZ 3.56Å; D264-R363 IonicContact OD1-NE 3.63Å; D264-R363 IonicContact OD1-NH2 2.68Å; D264-R363 PolarHBondContact OD1-NH2 3.23Å
265S87.6Confident89.6Confident41 Ų4171.7 Ų71.729%0.28739%0.392SS..G310 helixtrans-74.8-19.8173.2-55.10000112.8A262 I263A262-S265 WeakPolarHBondContact O-CB 3.31Å; A262-S265 PolarHBondContact O-N 2.76Å; A262-S265 PolarHBondContact O-OG 3.31Å; A262-S265 VanDerWaalsContact O-OG 3.06Å; I263-S265 PolarHBondContact O-N 3.02Å; I263-S265 VanDerWaalsContact O-N 3.09Å
266F89.1Confident89.8Confident63 Ų6372 Ų7228%0.27640%0.396SS..SBendtrans-90111.4179.5-63.6-88.9000109.8V259 H261 I263 D264 M272 L274 L294 F349V259-F266 HydrophobicContact CG1-CE2 4.27Å; V259-F266 HydrophobicContact CG1-CZ 3.95Å; H261-F266 HydrophobicContact CB-CE2 3.78Å; H261-F266 HydrophobicContact CB-CZ 4.11Å; I263-F266 PolarHBondContact O-N 3.48Å; D264-F266 VanDerWaalsContact C-N 3.3Å; F266-M272 HydrophobicContact CD1-CE 4.21Å; F266-M272 HydrophobicContact CD1-SD 4.46Å; F266-L274 HydrophobicContact CE1-CD2 4.28Å; F266-L274 HydrophobicContact CZ-CD2 4.17Å; F266-L294 HydrophobicContact CE1-CD1 4.17Å; F266-L294 HydrophobicContact CE2-CD1 4.28Å; F266-L294 HydrophobicContact CZ-CD1 3.9Å; F266-F349 HydrophobicContact CD2-CE1 4.21Å; F266-F349 HydrophobicContact CD2-CZ 4.18Å; F266-F349 AromaticContact CE2-CE1 3.77Å; F266-F349 HydrophobicContact CE2-CE1 3.77Å; F266-F349 AromaticContact CE2-CZ 3.79Å; F266-F349 HydrophobicContact CE2-CZ 3.79Å; F266-F349 HydrophobicContact CZ-CZ 4.45Å
267R88.4Confident90.2Very high162 Ų16275 Ų7561%0.61140%0.403SS*.  trans-89.7135.2-179.2-68.8167.7174.91781.1111.1G269 E270R267-G269 PolarHBondContact O-N 3.38Å; R267-G269 VanDerWaalsContact O-N 3.15Å; R267-E270 HydrophobicContact CB-CB 4.19Å; R267-E270 HydrophobicContact CB-CG 4.06Å; R267-E270 WeakPolarHBondContact CD-OE1 3.39Å; R267-E270 IonicContact CZ-OE1 3.4Å; R267-E270 IonicContact NE-OE1 2.69Å; R267-E270 IonicContact NH1-OE1 2.71Å; R267-E270 PolarHBondContact NH1-OE1 2.88Å; R267-E270 IonicContact NH1-OE2 2.79Å; R267-E270 PolarHBondContact O-N 3.45Å
268E88.7Confident90.2Very high207 Ų20778.5 Ų78.597%0.96742%0.422SS*.THydrogen-bonded Turntrans-53118.3172.8-65.1173.5-151.600110.7
269G87.3Confident90.2Very high83 Ų8379.4 Ų79.486%0.85642%0.424SS*.THydrogen-bonded Turntrans90.6-8.7-178.700000116.5R267R267-G269 PolarHBondContact O-N 3.38Å; R267-G269 VanDerWaalsContact O-N 3.15Å
270E89.1Confident90.2Very high92 Ų9281.1 Ų81.143%0.4344%0.441SS..  trans-91.6104.1170.9-69.9-174.7-161.700110.4R267 M272R267-E270 HydrophobicContact CB-CB 4.19Å; R267-E270 HydrophobicContact CB-CG 4.06Å; R267-E270 WeakPolarHBondContact CD-OE1 3.39Å; R267-E270 IonicContact CZ-OE1 3.4Å; R267-E270 IonicContact NE-OE1 2.69Å; R267-E270 IonicContact NH1-OE1 2.71Å; R267-E270 PolarHBondContact NH1-OE1 2.88Å; R267-E270 IonicContact NH1-OE2 2.79Å; R267-E270 PolarHBondContact O-N 3.45Å; E270-M272 HydrophobicContact CB-CE 4.03Å; E270-M272 PolarHBondContact O-N 2.81Å
271T89.9Confident90.1Very high148 Ų14886.5 Ų86.591%0.90848%0.476SS*.  trans-73.4118.1174.945.20000111.1
272M89.7Confident90.1Very high46 Ų4694.3 Ų94.323%0.22752%0.517CS..  trans-117.4130.7-178.2-78.4-176.6-10600111.3F266 E270 N291 L294F266-M272 HydrophobicContact CD1-CE 4.21Å; F266-M272 HydrophobicContact CD1-SD 4.46Å; E270-M272 HydrophobicContact CB-CE 4.03Å; E270-M272 PolarHBondContact O-N 2.81Å; M272-N291 PolarHBondContact SD-ND2 2.81Å; M272-N291 VanDerWaalsContact SD-ND2 3.38Å; M272-L294 HydrophobicContact SD-CD1 4.23Å; M272-L294 HydrophobicContact SD-CD2 4.33Å; M272-L294 HydrophobicContact SD-CG 4.38Å
273I91.7Very high90Very high137 Ų13797.9 Ų97.970%0.70353%0.529SS*.  trans-79.6127.5175.9-59.9172.5000108.7T275I273-T275 HydrophobicContact CG2-CG2 4.46Å
274L91.2Very high90Very high56 Ų56106 Ų10629%0.29357%0.567SS.*  trans-95.8141.8168.4-65.9171000109.7V259 F266 L289 N291V259-L274 HydrophobicContact CG1-CD1 4.35Å; V259-L274 HydrophobicContact CG1-CD2 4Å; V259-L274 HydrophobicContact CG2-CD1 4.04Å; F266-L274 HydrophobicContact CE1-CD2 4.28Å; F266-L274 HydrophobicContact CZ-CD2 4.17Å; L274-L289 HydrophobicContact CB-CB 4.22Å; L274-L289 HydrophobicContact CB-CD2 4.5Å; L274-L289 HydrophobicContact CD1-CB 4.23Å; L274-L289 HydrophobicContact CD1-CD1 4.43Å; L274-N291 HydrophobicContact CD2-CB 4.1Å
275T92.8Very high89.9Confident62 Ų62105.8 Ų105.838%0.3856%0.562SS.*EExtended strand (participates in β ladder)trans-125.6151.1176.954.90000109.5I273 V290I273-T275 HydrophobicContact CG2-CG2 4.46Å; T275-V290 PolarHBondContact N-O 3.35Å; T275-V290 PolarHBondContact O-N 2.75Å; T275-V290 PolarHBondContact OG1-O 3.01Å
276L93.4Very high89.9Confident109 Ų109109 Ų10957%0.57157%0.572SS**EExtended strand (participates in β ladder)trans-64.5136.5172.6-69.9165.6000110.6D287 L289L276-D287 HydrophobicContact CD2-CB 4.27Å; L276-L289 HydrophobicContact CD2-CD2 3.95Å; L276-L289 HydrophobicContact CG-CD2 4.38Å
277K92.9Very high90Very high87 Ų87110.3 Ų110.338%0.37858%0.582SS.*PPolyproline II helixtrans-66.3141.7172-175.5176.3175.9171.70110.3E260 K279 V288 V290E260-K277 IonicContact OE1-NZ 3.17Å; E260-K277 PolarHBondContact OE1-NZ 3.41Å; E260-K277 WeakPolarHBondContact OE2-CD 3.41Å; E260-K277 WeakPolarHBondContact OE2-CE 3.47Å; E260-K277 IonicContact OE2-NZ 2.75Å; E260-K277 PolarHBondContact OE2-NZ 2.9Å; K277-K279 PolarHBondContact O-N 3.37Å; K277-V288 HydrophobicContact CB-CG2 3.44Å; K277-V288 VanDerWaalsContact CB-CG2 3.44Å; K277-V288 HydrophobicContact CD-CG2 3.37Å; K277-V288 HydrophobicContact CG-CG2 4.06Å; K277-V288 PolarHBondContact N-O 3.25Å; K277-V290 HydrophobicContact CB-CG2 3.92Å; K277-V290 HydrophobicContact CD-CG2 4.42Å; K277-V290 HydrophobicContact CG-CG2 4.46Å
278D91.6Very high90.1Very high119 Ų119103 Ų10364%0.63656%0.555SS**PPolyproline II helixtrans-66.5118.6176.1-153.2-37.1000110.2K699D278-K699 IonicContact OD2-NZ 3.99Å; D278-K699 PolarHBondContact OD2-NZ 2.75Å
279K90.3Very high90.3Very high42 Ų4293.9 Ų93.918%0.18351%0.513CS..  trans-132.3143.8-179.6-70-162175-148.50110.4K277 E285 E286K277-K279 PolarHBondContact O-N 3.37Å; K279-E285 IonicContact NZ-OE2 2.66Å; K279-E285 PolarHBondContact NZ-OE2 3.38Å; K279-E286 WeakPolarHBondContact CE-O 3.4Å; K279-E286 PolarHBondContact NZ-O 3.14Å
280G92.5Very high90.6Very high36 Ų3690.6 Ų90.637%0.37148%0.476SS..  trans-72.7129.9172.900000110.9L282 Q283G280-L282 PolarHBondContact O-N 3.45Å; G280-Q283 WeakPolarHBondContact O-CB 3.4Å; G280-Q283 PolarHBondContact O-N 2.91Å
281V90.6Very high90.9Very high150 Ų15086.5 Ų86.591%0.90946%0.458SS*.THydrogen-bonded Turntrans-58.5-12-175.6-173.90000114.5
282L90.9Very high91Very high166 Ų16683.4 Ų83.487%0.86944%0.438SS*.THydrogen-bonded Turntrans-97.72.9175.1-77.473.1000113.3G280G280-L282 PolarHBondContact O-N 3.45Å
283Q87.8Confident91.1Very high102 Ų10286.4 Ų86.448%0.47746%0.455SS..  trans-95.8105.6176.2-62.6175.5-99.300108.7G280 E285G280-Q283 WeakPolarHBondContact O-CB 3.4Å; G280-Q283 PolarHBondContact O-N 2.91Å; Q283-E285 HydrophobicContact CB-CG 4.37Å; Q283-E285 PolarHBondContact NE2-OE1 2.97Å; Q283-E285 PolarHBondContact O-N 3.5Å
284E87.7Confident91Very high205 Ų20580.1 Ų80.196%0.95842%0.423SS*.  trans-76.351.4178.4-61.1178.1169.700111.7
285E85.3Confident91Very high108 Ų10880.1 Ų80.151%0.50543%0.425SS..PPolyproline II helixtrans-100.3151.3175.8-62.5171.9-15900110.5K279 Q283 D287K279-E285 IonicContact NZ-OE2 2.66Å; K279-E285 PolarHBondContact NZ-OE2 3.38Å; Q283-E285 HydrophobicContact CB-CG 4.37Å; Q283-E285 PolarHBondContact NE2-OE1 2.97Å; Q283-E285 PolarHBondContact O-N 3.5Å; E285-D287 PolarHBondContact O-N 3.32Å
286E87.3Confident91Very high109 Ų10981.6 Ų81.651%0.50943%0.431SS..PPolyproline II helixtrans-57.6138.9173.7-62.7-166.414200111.6K279 V288 R350K279-E286 WeakPolarHBondContact CE-O 3.4Å; K279-E286 PolarHBondContact NZ-O 3.14Å; E286-V288 WeakPolarHBondContact O-CG1 3.48Å; E286-R350 IonicContact OE1-CZ 3.83Å; E286-R350 IonicContact OE1-NH1 2.84Å; E286-R350 PolarHBondContact OE1-NH1 3.44Å; E286-R350 IonicContact OE1-NH2 2.8Å; E286-R350 PolarHBondContact OE1-NH2 2.93Å; E286-R350 IonicContact OE2-CZ 3.11Å; E286-R350 IonicContact OE2-NH1 2.81Å; E286-R350 PolarHBondContact OE2-NH1 3.43Å; E286-R350 IonicContact OE2-NH2 3.2Å; E286-R350 PolarHBondContact OE2-NH2 2.94Å
287D90.2Very high90.9Very high90 Ų9081.4 Ų81.448%0.48143%0.425SS..PPolyproline II helixtrans-69.9141.1174.1-85.9-41.6000111.5L257 L276 E285L257-D287 HydrophobicContact CD2-CB 4.38Å; L276-D287 HydrophobicContact CD2-CB 4.27Å; E285-D287 PolarHBondContact O-N 3.32Å
288V91.9Very high90.7Very high9 Ų979.4 Ų79.46%0.05542%0.417CS..EExtended strand (participates in β ladder)trans-132143.2-172.4-44.80000112.5T258 E260 K277 E286 V290T258-V288 CarbonylContact O-C 3.5Å; T258-V288 WeakPolarHBondContact O-CA 3.34Å; T258-V288 VanDerWaalsContact OG1-CG1 3.29Å; T258-V288 WeakPolarHBondContact OG1-CG1 3.18Å; E260-V288 HydrophobicContact CG-CB 4.09Å; E260-V288 HydrophobicContact CG-CG1 4.47Å; E260-V288 HydrophobicContact CG-CG2 3.92Å; K277-V288 HydrophobicContact CB-CG2 3.44Å; K277-V288 VanDerWaalsContact CB-CG2 3.44Å; K277-V288 HydrophobicContact CD-CG2 3.37Å; K277-V288 HydrophobicContact CG-CG2 4.06Å; K277-V288 PolarHBondContact N-O 3.25Å; E286-V288 WeakPolarHBondContact O-CG1 3.48Å; V288-V290 HydrophobicContact CG2-CG2 4.19Å
289L92.4Very high90.6Very high16 Ų1681.3 Ų81.38%0.08442%0.416CS..EExtended strand (participates in β ladder)trans-100.2135.2-176.8-70.4175.2000111.3L257 T258 V259 E260 L274 L276 L351L257-L289 HydrophobicContact CB-CD1 4.07Å; L257-L289 HydrophobicContact CB-CG 4.48Å; L257-L289 HydrophobicContact CD1-CD1 3.81Å; L257-L289 HydrophobicContact CD1-CG 4.22Å; T258-L289 PolarHBondContact O-N 2.71Å; V259-L289 CarbonylContact C-O 3.52Å; V259-L289 VanDerWaalsContact CA-O 3.26Å; V259-L289 WeakPolarHBondContact CA-O 3.47Å; V259-L289 HydrophobicContact CG2-CB 4.18Å; E260-L289 PolarHBondContact N-O 2.68Å; L274-L289 HydrophobicContact CB-CB 4.22Å; L274-L289 HydrophobicContact CB-CD2 4.5Å; L274-L289 HydrophobicContact CD1-CB 4.23Å; L274-L289 HydrophobicContact CD1-CD1 4.43Å; L276-L289 HydrophobicContact CD2-CD2 3.95Å; L276-L289 HydrophobicContact CG-CD2 4.38Å; L289-L351 HydrophobicContact CD1-CD1 4.07Å
290V94Very high90.7Very high13 Ų1381.9 Ų81.98%0.07943%0.428CS..EExtended strand (participates in β ladder)trans-148131.6-165.1173.70000110.1E260 T275 K277 V288 V295E260-V290 HydrophobicContact CB-CG2 4.1Å; T275-V290 PolarHBondContact N-O 3.35Å; T275-V290 PolarHBondContact O-N 2.75Å; T275-V290 PolarHBondContact OG1-O 3.01Å; K277-V290 HydrophobicContact CB-CG2 3.92Å; K277-V290 HydrophobicContact CD-CG2 4.42Å; K277-V290 HydrophobicContact CG-CG2 4.46Å; V288-V290 HydrophobicContact CG2-CG2 4.19Å; V290-V295 HydrophobicContact CG1-CG2 3.1Å
291N94.2Very high90.5Very high7 Ų786.3 Ų86.34%0.03744%0.439CS..  trans-92.8117168.6178-4.8000109.1H261 M272 L274 N293 L294 V295H261-N291 PolarHBondContact NE2-N 2.7Å; H261-N291 PolarHBondContact NE2-O 2.81Å; M272-N291 PolarHBondContact SD-ND2 2.81Å; M272-N291 VanDerWaalsContact SD-ND2 3.38Å; L274-N291 HydrophobicContact CD2-CB 4.1Å; N291-N293 PolarHBondContact O-N 2.8Å; N291-N293 VanDerWaalsContact O-N 3.08Å; N291-N293 WeakPolarHBondContact OD1-CB 3.42Å; N291-N293 PolarHBondContact OD1-N 3.24Å; N291-N293 PolarHBondContact OD1-ND2 3.21Å; N291-L294 HydrophobicContact CB-CB 4.25Å; N291-L294 HydrophobicContact CB-CD1 4.11Å; N291-L294 HydrophobicContact CB-CG 4.02Å; N291-L294 PolarHBondContact O-N 3.34Å; N291-V295 PolarHBondContact O-N 2.81Å; N291-V295 VanDerWaalsContact O-N 3.08Å
292V91.8Very high90.3Very high82 Ų8282.8 Ų82.850%0.49741%0.412SS..Hα-helixtrans-48.4-40.1177.5-174.80000112.3L294 V295 D296V292-L294 VanDerWaalsContact C-N 3.29Å; V292-L294 PolarHBondContact O-N 2.78Å; V292-V295 PolarHBondContact O-N 3.5Å; V292-D296 PolarHBondContact O-N 2.76Å; V292-D296 VanDerWaalsContact O-N 3.08Å
293N92.4Very high90.1Very high109 Ų10979 Ų7958%0.58339%0.392SS*.Hα-helixtrans-71.2-19.7-179.5-57.7-85.1000113.9N291 K297N291-N293 PolarHBondContact O-N 2.8Å; N291-N293 VanDerWaalsContact O-N 3.08Å; N291-N293 WeakPolarHBondContact OD1-CB 3.42Å; N291-N293 PolarHBondContact OD1-N 3.24Å; N291-N293 PolarHBondContact OD1-ND2 3.21Å; N293-K297 VanDerWaalsContact O-CD 3.23Å; N293-K297 WeakPolarHBondContact O-CD 3.42Å; N293-K297 VanDerWaalsContact O-CE 3.25Å; N293-K297 WeakPolarHBondContact O-CE 3.3Å; N293-K297 WeakPolarHBondContact O-CG 3.27Å
294L89.9Confident90.3Very high6 Ų677.3 Ų77.33%0.03139%0.389CS..Hα-helixtrans-88.5-39.8173.6-64.9-177.5000110.4H261 F266 M272 N291 V292 D296 K297 E298H261-L294 HydrophobicContact CB-CD1 4.12Å; H261-L294 WeakPolarHBondContact CE1-CB 3.27Å; H261-L294 WeakPolarHBondContact ND1-CB 3.42Å; F266-L294 HydrophobicContact CE1-CD1 4.17Å; F266-L294 HydrophobicContact CE2-CD1 4.28Å; F266-L294 HydrophobicContact CZ-CD1 3.9Å; M272-L294 HydrophobicContact SD-CD1 4.23Å; M272-L294 HydrophobicContact SD-CD2 4.33Å; M272-L294 HydrophobicContact SD-CG 4.38Å; N291-L294 HydrophobicContact CB-CB 4.25Å; N291-L294 HydrophobicContact CB-CD1 4.11Å; N291-L294 HydrophobicContact CB-CG 4.02Å; N291-L294 PolarHBondContact O-N 3.34Å; V292-L294 VanDerWaalsContact C-N 3.29Å; V292-L294 PolarHBondContact O-N 2.78Å; L294-D296 VanDerWaalsContact C-N 3.34Å; L294-D296 PolarHBondContact O-N 3.37Å; L294-K297 HydrophobicContact CD2-CD 4.08Å; L294-K297 WeakPolarHBondContact O-CB 3.42Å; L294-K297 PolarHBondContact O-N 2.85Å; L294-K297 VanDerWaalsContact O-N 3.14Å; L294-E298 WeakPolarHBondContact O-CG 3.49Å; L294-E298 PolarHBondContact O-N 3.05Å
295V91.9Very high90.2Very high55 Ų5572.1 Ų72.133%0.33336%0.364SS..Hα-helixtrans-53.8-49.4171.7178.90000111.5V290 N291 V292 K297 E298 R299V290-V295 HydrophobicContact CG1-CG2 3.1Å; N291-V295 PolarHBondContact O-N 2.81Å; N291-V295 VanDerWaalsContact O-N 3.08Å; V292-V295 PolarHBondContact O-N 3.5Å; V295-K297 VanDerWaalsContact C-N 3.31Å; V295-K297 PolarHBondContact O-N 2.97Å; V295-E298 PolarHBondContact O-N 3.07Å; V295-R299 WeakPolarHBondContact O-CB 3.45Å; V295-R299 PolarHBondContact O-N 3.29Å
296D91.4Very high90Very high94 Ų9470.3 Ų70.350%0.50336%0.358SS..Hα-helixtrans-68.9-28.8-178.3-82.2-28.4000112.8V292 L294 A300V292-D296 PolarHBondContact O-N 2.76Å; V292-D296 VanDerWaalsContact O-N 3.08Å; L294-D296 VanDerWaalsContact C-N 3.34Å; L294-D296 PolarHBondContact O-N 3.37Å; D296-A300 WeakPolarHBondContact O-CB 3.29Å; D296-A300 PolarHBondContact O-N 2.82Å
297K91.3Very high89.8Confident105 Ų10574.2 Ų74.246%0.45737%0.368SS..Hα-helixtrans-68.2-56.4170.9-71.9168.1-164.5169.40111N293 L294 V295 R299 A300 E301N293-K297 VanDerWaalsContact O-CD 3.23Å; N293-K297 WeakPolarHBondContact O-CD 3.42Å; N293-K297 VanDerWaalsContact O-CE 3.25Å; N293-K297 WeakPolarHBondContact O-CE 3.3Å; N293-K297 WeakPolarHBondContact O-CG 3.27Å; L294-K297 HydrophobicContact CD2-CD 4.08Å; L294-K297 WeakPolarHBondContact O-CB 3.42Å; L294-K297 PolarHBondContact O-N 2.85Å; L294-K297 VanDerWaalsContact O-N 3.14Å; V295-K297 VanDerWaalsContact C-N 3.31Å; V295-K297 PolarHBondContact O-N 2.97Å; K297-R299 PolarHBondContact O-N 2.87Å; K297-A300 WeakPolarHBondContact O-CB 3.29Å; K297-A300 PolarHBondContact O-N 3.07Å; K297-E301 WeakPolarHBondContact O-CB 3.34Å; K297-E301 WeakPolarHBondContact O-CG 3.5Å; K297-E301 PolarHBondContact O-N 3.38Å
298E89.3Confident89.5Confident44 Ų4477.5 Ų77.521%0.20638%0.378CS..Hα-helixtrans-55.4-43.2178.6-72.3178.5-148.500111.2H261 L294 V295 E301 K302H261-E298 IonicContact CE1-OE1 2.59Å; H261-E298 IonicContact CG-OE1 2.99Å; H261-E298 IonicContact ND1-OE1 3.79Å; H261-E298 PolarHBondContact ND1-OE1 3.33Å; L294-E298 WeakPolarHBondContact O-CG 3.49Å; L294-E298 PolarHBondContact O-N 3.05Å; V295-E298 PolarHBondContact O-N 3.07Å; E298-E301 PolarHBondContact O-N 2.9Å; E298-K302 VanDerWaalsContact O-CB 3.29Å; E298-K302 WeakPolarHBondContact O-CB 3.34Å; E298-K302 VanDerWaalsContact O-CG 3.23Å; E298-K302 WeakPolarHBondContact O-CG 3.48Å; E298-K302 PolarHBondContact O-N 2.86Å
299R90.6Very high88.9Confident159 Ų15981.9 Ų81.960%0.640%0.396SS*.Hα-helixtrans-66.7-39.7177.2-168.6-178.9-164.8-176.810.3112V295 K297 N303V295-R299 WeakPolarHBondContact O-CB 3.45Å; V295-R299 PolarHBondContact O-N 3.29Å; K297-R299 PolarHBondContact O-N 2.87Å; R299-N303 VanDerWaalsContact O-CB 3.31Å; R299-N303 WeakPolarHBondContact O-CB 3.43Å; R299-N303 PolarHBondContact O-N 3.35Å; R299-N303 PolarHBondContact O-ND2 2.86Å
300A90.6Very high88Confident54 Ų5488.1 Ų88.145%0.44642%0.423SS..Hα-helixtrans-66.1-42.2174.500000111.5D296 K297 N303 V304D296-A300 WeakPolarHBondContact O-CB 3.29Å; D296-A300 PolarHBondContact O-N 2.82Å; K297-A300 WeakPolarHBondContact O-CB 3.29Å; K297-A300 PolarHBondContact O-N 3.07Å; A300-N303 PolarHBondContact O-N 3.42Å; A300-V304 WeakPolarHBondContact O-CB 3.41Å; A300-V304 WeakPolarHBondContact O-CG2 3.2Å; A300-V304 PolarHBondContact O-N 2.95Å
301E89.8Confident86.6Confident130 Ų13091.7 Ų91.761%0.60745%0.446SS*.Hα-helixtrans-65.9-50178.3-72.7174.9-176.400111.1K297 E298 N303 V304 E305K297-E301 WeakPolarHBondContact O-CB 3.34Å; K297-E301 WeakPolarHBondContact O-CG 3.5Å; K297-E301 PolarHBondContact O-N 3.38Å; E298-E301 PolarHBondContact O-N 2.9Å; E301-N303 VanDerWaalsContact C-N 3.3Å; E301-N303 PolarHBondContact O-N 2.91Å; E301-V304 CarbonylContact O-C 3.57Å; E301-V304 WeakPolarHBondContact O-CA 3.45Å; E301-V304 PolarHBondContact O-N 2.96Å; E301-E305 WeakPolarHBondContact O-CG 3.49Å; E301-E305 PolarHBondContact O-N 3.28Å
302K86Confident84.9Confident75 Ų7598.3 Ų98.333%0.32648%0.482SS..Hα-helixtrans-52.1-45.2169.8-74.5171.4177.3179.60111.9E298 V304 E305 L306 E344E298-K302 VanDerWaalsContact O-CB 3.29Å; E298-K302 WeakPolarHBondContact O-CB 3.34Å; E298-K302 VanDerWaalsContact O-CG 3.23Å; E298-K302 WeakPolarHBondContact O-CG 3.48Å; E298-K302 PolarHBondContact O-N 2.86Å; K302-V304 PolarHBondContact O-N 3.1Å; K302-E305 PolarHBondContact O-N 3.45Å; K302-L306 WeakPolarHBondContact O-CB 3.36Å; K302-L306 VanDerWaalsContact O-CG 3.32Å; K302-L306 WeakPolarHBondContact O-CG 3.46Å; K302-L306 PolarHBondContact O-N 3.06Å; K302-E344 WeakPolarHBondContact CD-OE2 3.39Å; K302-E344 WeakPolarHBondContact CE-OE2 3.24Å; K302-E344 IonicContact NZ-OE2 2.72Å; K302-E344 PolarHBondContact NZ-OE2 2.86Å
303N87.5Confident83.4Confident87 Ų87104.2 Ų104.247%0.46550%0.496SS..Hα-helixtrans-67.5-32.8176.8-86.6-75.7000113.6R299 A300 E301 R307R299-N303 VanDerWaalsContact O-CB 3.31Å; R299-N303 WeakPolarHBondContact O-CB 3.43Å; R299-N303 PolarHBondContact O-N 3.35Å; R299-N303 PolarHBondContact O-ND2 2.86Å; A300-N303 PolarHBondContact O-N 3.42Å; E301-N303 VanDerWaalsContact C-N 3.3Å; E301-N303 PolarHBondContact O-N 2.91Å; N303-R307 WeakPolarHBondContact O-CB 3.48Å; N303-R307 WeakPolarHBondContact O-CD 3.33Å; N303-R307 WeakPolarHBondContact O-CG 3.41Å; N303-R307 PolarHBondContact O-N 2.93Å
304V90.9Very high82Confident67 Ų67104.7 Ų104.741%0.40650%0.498SS..Hα-helixtrans-73.1-40.7173.9165.50000110.5A300 E301 K302 R307 K308A300-V304 WeakPolarHBondContact O-CB 3.41Å; A300-V304 WeakPolarHBondContact O-CG2 3.2Å; A300-V304 PolarHBondContact O-N 2.95Å; E301-V304 CarbonylContact O-C 3.57Å; E301-V304 WeakPolarHBondContact O-CA 3.45Å; E301-V304 PolarHBondContact O-N 2.96Å; K302-V304 PolarHBondContact O-N 3.1Å; V304-R307 CarbonylContact O-C 3.47Å; V304-R307 WeakPolarHBondContact O-CB 3.31Å; V304-R307 PolarHBondContact O-N 3.31Å; V304-K308 HydrophobicContact CG1-CD 4.24Å; V304-K308 WeakPolarHBondContact O-CG 3.31Å; V304-K308 PolarHBondContact O-N 3.45Å
305E85.6Confident80.6Confident95 Ų95108.2 Ų108.244%0.44452%0.522SS..Hα-helixtrans-62.4-49.8172.6-72.5-150.2164.500112E301 K302 R307 K308 K309E301-E305 WeakPolarHBondContact O-CG 3.49Å; E301-E305 PolarHBondContact O-N 3.28Å; K302-E305 PolarHBondContact O-N 3.45Å; E305-R307 PolarHBondContact O-N 2.78Å; E305-K308 CarbonylContact O-C 3.34Å; E305-K308 WeakPolarHBondContact O-CA 3.49Å; E305-K308 PolarHBondContact O-N 2.96Å; E305-K309 VanDerWaalsContact O-CB 3.3Å; E305-K309 WeakPolarHBondContact O-CB 3.47Å; E305-K309 WeakPolarHBondContact O-CG 3.08Å; E305-K309 PolarHBondContact O-N 2.81Å; E305-K309 WeakPolarHBondContact OE2-CE 3.5Å; E305-K309 IonicContact OE2-NZ 3.47Å
306L82.1Confident78.9Confident70 Ų70116.1 Ų116.137%0.36655%0.547SS..Hα-helixtrans-59.5-18.4174.4-74.7171.3000113.3K302 K310 E339K302-L306 WeakPolarHBondContact O-CB 3.36Å; K302-L306 VanDerWaalsContact O-CG 3.32Å; K302-L306 WeakPolarHBondContact O-CG 3.46Å; K302-L306 PolarHBondContact O-N 3.06Å; L306-K310 VanDerWaalsContact O-CD 3.29Å; L306-K310 WeakPolarHBondContact O-CD 3.34Å; L306-K310 VanDerWaalsContact O-CE 3.29Å; L306-K310 WeakPolarHBondContact O-CE 3.5Å; L306-K310 VanDerWaalsContact O-CG 3.26Å; L306-K310 WeakPolarHBondContact O-CG 3.15Å; L306-E339 WeakPolarHBondContact CD2-OE2 3.26Å
307R82.8Confident77.2Confident192 Ų192114.5 Ų114.573%0.72555%0.547SS*.Hα-helixtrans-89.2-25.5171-73172.564.7-165.9-2.9113.6N303 V304 E305N303-R307 WeakPolarHBondContact O-CB 3.48Å; N303-R307 WeakPolarHBondContact O-CD 3.33Å; N303-R307 WeakPolarHBondContact O-CG 3.41Å; N303-R307 PolarHBondContact O-N 2.93Å; V304-R307 CarbonylContact O-C 3.47Å; V304-R307 WeakPolarHBondContact O-CB 3.31Å; V304-R307 PolarHBondContact O-N 3.31Å; E305-R307 PolarHBondContact O-N 2.78Å
308K83.9Confident75.2Confident159 Ų159118.1 Ų118.169%0.69157%0.565SS**Hα-helixtrans-79.8-40.6169.8-66.9166178.8172.10112V304 E305 K310V304-K308 HydrophobicContact CG1-CD 4.24Å; V304-K308 WeakPolarHBondContact O-CG 3.31Å; V304-K308 PolarHBondContact O-N 3.45Å; E305-K308 CarbonylContact O-C 3.34Å; E305-K308 WeakPolarHBondContact O-CA 3.49Å; E305-K308 PolarHBondContact O-N 2.96Å; K308-K310 PolarHBondContact O-N 3.22Å
309K77.7Confident73.6Confident101 Ų101122.1 Ų122.144%0.43959%0.588SS.*SBendtrans-68-5.2175.3-69.9175178.6173.90113.3E305 P311 E339E305-K309 VanDerWaalsContact O-CB 3.3Å; E305-K309 WeakPolarHBondContact O-CB 3.47Å; E305-K309 WeakPolarHBondContact O-CG 3.08Å; E305-K309 PolarHBondContact O-N 2.81Å; E305-K309 WeakPolarHBondContact OE2-CE 3.5Å; E305-K309 IonicContact OE2-NZ 3.47Å; K309-P311 WeakPolarHBondContact O-CD 3.36Å; K309-E339 IonicContact NZ-OE1 3.25Å; K309-E339 PolarHBondContact NZ-OE1 2.94Å; K309-E339 IonicContact NZ-OE2 3.78Å
310K75.4Confident71.6Confident146 Ų146123 Ų12364%0.63560%0.599SS**SBendtrans-86.498.2167.5-80.4167.6-169.9178.10108.2L306 K308L306-K310 VanDerWaalsContact O-CD 3.29Å; L306-K310 WeakPolarHBondContact O-CD 3.34Å; L306-K310 VanDerWaalsContact O-CE 3.29Å; L306-K310 WeakPolarHBondContact O-CE 3.5Å; L306-K310 VanDerWaalsContact O-CG 3.26Å; L306-K310 WeakPolarHBondContact O-CG 3.15Å; K308-K310 PolarHBondContact O-N 3.22Å
311P62.9Low69.4Low88 Ų88124.7 Ų124.757%0.57161%0.608SS**  trans-63.3140.3171.129.2-35.7000109K309 Y313K309-P311 WeakPolarHBondContact O-CD 3.36Å; P311-Y313 PolarHBondContact O-N 2.83Å
312D59.1Low67.4Low146 Ų146125.1 Ų125.178%0.78162%0.619SS**  trans-57.9137158.6-80.2-44.8000108.4L314D312-L314 PolarHBondContact O-N 2.89Å
313Y60.3Low65.4Low206 Ų206129.1 Ų129.181%0.80864%0.644SS**  trans-73.991-174.5-178.5-111.1000110.3P311 P315P311-Y313 PolarHBondContact O-N 2.83Å; Y313-P315 HydrophobicContact CD1-CG 3.98Å; Y313-P315 HydrophobicContact CE1-CG 3.61Å; Y313-P315 WeakPolarHBondContact O-CD 3.25Å
314L63.3Low63.3Low119 Ų119129.7 Ų129.762%0.62365%0.647SS**  trans-104.795.2177-63.5179000109.6D312 Y316 A317D312-L314 PolarHBondContact O-N 2.89Å; L314-Y316 PolarHBondContact O-N 3.12Å; L314-A317 HydrophobicContact CB-CB 3.67Å; L314-A317 HydrophobicContact CD1-CB 4.05Å; L314-A317 PolarHBondContact O-N 3.48Å
315P60.1Low61.4Low81 Ų81134.8 Ų134.853%0.52667%0.671SS.*THydrogen-bonded Turntrans-70.3-4.3-168.6-19.934.4000115.7Y313Y313-P315 HydrophobicContact CD1-CG 3.98Å; Y313-P315 HydrophobicContact CE1-CG 3.61Å; Y313-P315 WeakPolarHBondContact O-CD 3.25Å
316Y57.1Low59.9Low220 Ų220134.6 Ų134.686%0.86369%0.685SS**THydrogen-bonded Turntrans-13714.3-176.2-61.8-75.2000112.5L314 E318L314-Y316 PolarHBondContact O-N 3.12Å; Y316-E318 PolarHBondContact O-N 3.17Å
317A55Low58.4Low60 Ų60136.6 Ų136.650%0.49669%0.693SS.*  trans-85.988.6163.800000107.4L314L314-A317 HydrophobicContact CB-CB 3.67Å; L314-A317 HydrophobicContact CD1-CB 4.05Å; L314-A317 PolarHBondContact O-N 3.48Å
318E48.9Very low56.7Low182 Ų182136 Ų13685%0.8570%0.699SS**  trans-61.8143.1163.5-64.6-175.6131.700108.4Y316 E320Y316-E318 PolarHBondContact O-N 3.17Å; E318-E320 VanDerWaalsContact C-N 3.27Å; E318-E320 PolarHBondContact O-N 2.98Å
319D56.3Low55.4Low128 Ų128136.4 Ų136.468%0.68470%0.7SS**  trans-6973.6-172.5-80.6-53.5000112S321 R331D319-S321 PolarHBondContact O-N 2.82Å; D319-R331 IonicContact OD1-NH1 3.97Å; D319-R331 IonicContact OD2-NH1 3.44Å; D319-R331 PolarHBondContact OD2-NH1 2.88Å
320E47.3Very low54.2Low177 Ų177137.5 Ų137.583%0.82772%0.718SS**  trans-78.337.9172.2-155.8175-143.100111.9E318 V322E318-E320 VanDerWaalsContact C-N 3.27Å; E318-E320 PolarHBondContact O-N 2.98Å; E320-V322 HydrophobicContact CG-CG2 4.39Å; E320-V322 WeakPolarHBondContact O-CG2 3.23Å; E320-V322 PolarHBondContact O-N 2.81Å; E320-V322 VanDerWaalsContact O-N 3.14Å
321S45.8Very low53.2Low90 Ų90139.1 Ų139.163%0.62972%0.72SS**  trans-80.387.1167.961.20000108.8D319 D323D319-S321 PolarHBondContact O-N 2.82Å; S321-D323 PolarHBondContact O-N 3.46Å
322V46.4Very low53.1Low139 Ų139137.2 Ų137.284%0.84271%0.709SS**  trans-70.316-163.8-134.30000116.6E320E320-V322 HydrophobicContact CG-CG2 4.39Å; E320-V322 WeakPolarHBondContact O-CG2 3.23Å; E320-V322 PolarHBondContact O-N 2.81Å; E320-V322 VanDerWaalsContact O-N 3.14Å
323D45.8Very low53.4Low159 Ų159138.8 Ų138.885%0.8572%0.715SS**  trans-104.2144.2-177.2-103.3-39.5000113.4S321S321-D323 PolarHBondContact O-N 3.46Å
324D42.4Very low53.6Low98 Ų98133.1 Ų133.152%0.52470%0.698SS.*  trans69.375.1179.3-154.9-8.3000118.2A326 Q327D324-A326 PolarHBondContact O-N 3.02Å; D324-A326 WeakPolarHBondContact OD1-CA 3.42Å; D324-A326 VanDerWaalsContact OD1-CB 3.29Å; D324-A326 WeakPolarHBondContact OD1-CB 3.19Å; D324-A326 PolarHBondContact OD1-N 3.38Å; D324-Q327 PolarHBondContact OD1-N 2.92Å
325L51.7Low53.7Low175 Ų175130.3 Ų130.392%0.91669%0.689SS**SBendtrans-74.7-3164.5-17556.5000113.5
326A53.3Low53.9Low90 Ų90133.2 Ų133.274%0.74469%0.693SS**SBendtrans-92.4-33.3-175.200000113.3D324D324-A326 PolarHBondContact O-N 3.02Å; D324-A326 WeakPolarHBondContact OD1-CA 3.42Å; D324-A326 VanDerWaalsContact OD1-CB 3.29Å; D324-A326 WeakPolarHBondContact OD1-CB 3.19Å; D324-A326 PolarHBondContact OD1-N 3.38Å
327Q51.5Low54.1Low112 Ų112128.3 Ų128.352%0.52367%0.674SS.*  trans-136.190.7173-68.9-1671.200113.2D324 K329D324-Q327 PolarHBondContact OD1-N 2.92Å; Q327-K329 PolarHBondContact O-N 3.48Å
328Q46.1Very low54.5Low181 Ų181128.1 Ų128.185%0.84666%0.664SS**  trans-64.985.6153.1-74.6-167.2-7.400109.4P330Q328-P330 WeakPolarHBondContact O-CD 3.35Å
329K57.9Low55.1Low166 Ų166123.4 Ų123.472%0.72264%0.642SS**  trans-52.6121.5155.5-79.1178.9177.1172.70106.4Q327 R331Q327-K329 PolarHBondContact O-N 3.48Å; K329-R331 PolarHBondContact O-N 2.95Å
330P50.7Low55.2Low125 Ų125124.4 Ų124.481%0.81264%0.643SS**  trans-62.9106.6175.326-32.3000107Q328 S332Q328-P330 WeakPolarHBondContact O-CD 3.35Å; P330-S332 PolarHBondContact O-N 2.77Å
331R55.2Low55.7Low179 Ų179122 Ų12268%0.67564%0.635SS**  trans-61.1114.3174.2-57.8-177.991.1163.58.5105.5D319 K329 I333D319-R331 IonicContact OD1-NH1 3.97Å; D319-R331 IonicContact OD2-NH1 3.44Å; D319-R331 PolarHBondContact OD2-NH1 2.88Å; K329-R331 PolarHBondContact O-N 2.95Å; R331-I333 PolarHBondContact O-N 3.48Å
332S61.5Low56.3Low49 Ų49125.4 Ų125.434%0.34364%0.641SS.*  trans-48.4132.5173.8171.50000108P330 L334 S335 D338P330-S332 PolarHBondContact O-N 2.77Å; S332-L334 PolarHBondContact O-N 2.86Å; S332-L334 PolarHBondContact OG-N 3.22Å; S332-L334 VanDerWaalsContact OG-N 3.17Å; S332-S335 WeakPolarHBondContact O-CB 3.36Å; S332-S335 PolarHBondContact O-N 2.84Å; S332-D338 VanDerWaalsContact CB-OD1 3.27Å; S332-D338 WeakPolarHBondContact CB-OD1 3.42Å; S332-D338 WeakPolarHBondContact CB-OD2 3.22Å; S332-D338 PolarHBondContact OG-OD1 3Å; S332-D338 PolarHBondContact OG-OD2 3.32Å
333I65.6Low56.7Low178 Ų178120.5 Ų120.591%0.91362%0.619SS**THydrogen-bonded Turntrans-58-18.4176.9-62.2167.4000110R331R331-I333 PolarHBondContact O-N 3.48Å
334L64Low57.6Low87 Ų87119.3 Ų119.346%0.45561%0.608SS.*THydrogen-bonded Turntrans-117.629.9177.3-128.469.2000113.9S332 K336 Y337 D338 L341S332-L334 PolarHBondContact O-N 2.86Å; S332-L334 PolarHBondContact OG-N 3.22Å; S332-L334 VanDerWaalsContact OG-N 3.17Å; L334-K336 PolarHBondContact O-N 3.12Å; L334-Y337 HydrophobicContact CD1-CD2 4.39Å; L334-Y337 HydrophobicContact CD2-CD2 4.34Å; L334-Y337 HydrophobicContact CD2-CG 4.25Å; L334-Y337 HydrophobicContact CG-CD2 3.75Å; L334-Y337 HydrophobicContact CG-CG 4.1Å; L334-Y337 WeakPolarHBondContact O-CA 3.46Å; L334-Y337 WeakPolarHBondContact O-CB 3.37Å; L334-Y337 PolarHBondContact O-N 3.26Å; L334-D338 PolarHBondContact O-N 3.41Å; L334-D338 VanDerWaalsContact O-N 3.16Å; L334-L341 HydrophobicContact CD2-CD1 4.1Å
335S66.2Low59Low60 Ų60121.9 Ų121.942%0.4262%0.617SS.*THydrogen-bonded Turntrans-62.39.7-176.791.10000117.6S332 D338S332-S335 WeakPolarHBondContact O-CB 3.36Å; S332-S335 PolarHBondContact O-N 2.84Å; S335-D338 WeakPolarHBondContact CA-OD2 3.43Å
336K63.7Low60.3Low142 Ų142116 Ų11662%0.61759%0.589SS**THydrogen-bonded Turntrans-102.4-3.7168.3-62175.7-177.71720112.4L334L334-K336 PolarHBondContact O-N 3.12Å
337Y60.3Low61.8Low118 Ų118117 Ų11746%0.46358%0.578SS.*THydrogen-bonded Turntrans-136-11.3-171.6-62.5-90.5000112.1L334 E339 E340 L341L334-Y337 HydrophobicContact CD1-CD2 4.39Å; L334-Y337 HydrophobicContact CD2-CD2 4.34Å; L334-Y337 HydrophobicContact CD2-CG 4.25Å; L334-Y337 HydrophobicContact CG-CD2 3.75Å; L334-Y337 HydrophobicContact CG-CG 4.1Å; L334-Y337 WeakPolarHBondContact O-CA 3.46Å; L334-Y337 WeakPolarHBondContact O-CB 3.37Å; L334-Y337 PolarHBondContact O-N 3.26Å; Y337-E339 PolarHBondContact O-N 3.04Å; Y337-E340 WeakPolarHBondContact CD1-OE2 3.33Å; Y337-E340 CarbonylContact O-C 3.52Å; Y337-E340 WeakPolarHBondContact O-CA 3.48Å; Y337-E340 WeakPolarHBondContact O-CB 3.37Å; Y337-E340 PolarHBondContact O-N 3.28Å; Y337-L341 WeakPolarHBondContact O-CB 3.47Å; Y337-L341 WeakPolarHBondContact O-CG 3.49Å; Y337-L341 PolarHBondContact O-N 2.96Å
338D63.2Low63.6Low55 Ų55114.4 Ų114.429%0.29457%0.572SS.*Hα-helixtrans-51.5-41.7167.6-59.3-11.4000110.3S332 L334 S335 E340 L341 E342S332-D338 VanDerWaalsContact CB-OD1 3.27Å; S332-D338 WeakPolarHBondContact CB-OD1 3.42Å; S332-D338 WeakPolarHBondContact CB-OD2 3.22Å; S332-D338 PolarHBondContact OG-OD1 3Å; S332-D338 PolarHBondContact OG-OD2 3.32Å; L334-D338 PolarHBondContact O-N 3.41Å; L334-D338 VanDerWaalsContact O-N 3.16Å; S335-D338 WeakPolarHBondContact CA-OD2 3.43Å; D338-E340 PolarHBondContact O-N 2.81Å; D338-L341 PolarHBondContact O-N 2.68Å; D338-L341 VanDerWaalsContact O-N 3.08Å; D338-E342 PolarHBondContact O-N 2.84Å
339E62.6Low65.6Low83 Ų83106.9 Ų106.939%0.38854%0.537SS..Hα-helixtrans-62.5-23.3174.2-61.4178-171.500113.4L306 K309 Y337L306-E339 WeakPolarHBondContact CD2-OE2 3.26Å; K309-E339 IonicContact NZ-OE1 3.25Å; K309-E339 PolarHBondContact NZ-OE1 2.94Å; K309-E339 IonicContact NZ-OE2 3.78Å; Y337-E339 PolarHBondContact O-N 3.04Å
340E59.1Low67.1Low150 Ų150104.9 Ų104.970%0.70153%0.525SS*.Hα-helixtrans-94.1-17173.5-63.2-172.8167.500113.1Y337 D338Y337-E340 WeakPolarHBondContact CD1-OE2 3.33Å; Y337-E340 CarbonylContact O-C 3.52Å; Y337-E340 WeakPolarHBondContact O-CA 3.48Å; Y337-E340 WeakPolarHBondContact O-CB 3.37Å; Y337-E340 PolarHBondContact O-N 3.28Å; D338-E340 PolarHBondContact O-N 2.81Å
341L57.2Low69Low127 Ų12799.8 Ų99.867%0.66549%0.49SS*.Hα-helixtrans-100.1-39.8-172.2-78.4167.5000113.8L334 Y337 D338 G343L334-L341 HydrophobicContact CD2-CD1 4.1Å; Y337-L341 WeakPolarHBondContact O-CB 3.47Å; Y337-L341 WeakPolarHBondContact O-CG 3.49Å; Y337-L341 PolarHBondContact O-N 2.96Å; D338-L341 PolarHBondContact O-N 2.68Å; D338-L341 VanDerWaalsContact O-N 3.08Å; L341-G343 VanDerWaalsContact C-N 3.35Å
342E58Low70.5Confident160 Ų16095 Ų9575%0.74848%0.476SS*.SBendtrans-88.5-9171.2-62.6-167.8149.700112.3D338 Q345D338-E342 PolarHBondContact O-N 2.84Å; E342-Q345 PolarHBondContact O-NE2 3.08Å; E342-Q345 VanDerWaalsContact O-NE2 3.12Å
343G54.1Low71.4Confident36 Ų36100.6 Ų100.637%0.37150%0.497SS..  trans74.1157.2-172.300000113L341 Q345L341-G343 VanDerWaalsContact C-N 3.35Å; G343-Q345 PolarHBondContact O-N 3.08Å
344E64.7Low72.1Confident134 Ų13493.2 Ų93.263%0.62647%0.465SS*.  trans-65.3104.2170.5-72.5-167.6-134.800109.8K302 P346K302-E344 WeakPolarHBondContact CD-OE2 3.39Å; K302-E344 WeakPolarHBondContact CE-OE2 3.24Å; K302-E344 IonicContact NZ-OE2 2.72Å; K302-E344 PolarHBondContact NZ-OE2 2.86Å; E344-P346 VanDerWaalsContact O-CD 3.23Å; E344-P346 WeakPolarHBondContact O-CD 3.49Å
345Q72.9Confident72.6Confident152 Ų15290 Ų9071%0.7145%0.453SS*.  trans-78.2109.5169-59-65.8-43.600108.4E342 G343E342-Q345 PolarHBondContact O-NE2 3.08Å; E342-Q345 VanDerWaalsContact O-NE2 3.12Å; G343-Q345 PolarHBondContact O-N 3.08Å
346P77.7Confident73.2Confident51 Ų5194.3 Ų94.333%0.33147%0.468SS..  trans-70.8151.317631.1-34.8000110.5E260 E344 S348E260-P346 HydrophobicContact CG-CG 4.39Å; E344-P346 VanDerWaalsContact O-CD 3.23Å; E344-P346 WeakPolarHBondContact O-CD 3.49Å; P346-S348 PolarHBondContact O-N 3.08Å
347H85.1Confident73.9Confident112 Ų11289.2 Ų89.252%0.51945%0.452SS..  trans-70.3125.6161.9-72.6-92.8000107.8E260 H261 A262E260-H347 CarbonylContact C-O 3.57Å; E260-H347 VanDerWaalsContact C-O 3.25Å; H261-H347 CarbonylContact C-O 3.59Å; H261-H347 WeakPolarHBondContact CA-O 3.45Å; H261-H347 PolarHBondContact N-O 2.79Å; H261-H347 VanDerWaalsContact N-O 3.08Å; A262-H347 HydrophobicContact CB-CB 3.83Å
348S89.1Confident74.3Confident57 Ų5788.1 Ų88.140%0.39945%0.454SS..  trans-151.3134.7-177.357.40000112.1V259 P346V259-S348 WeakPolarHBondContact O-CA 3.18Å; V259-S348 WeakPolarHBondContact O-CB 3.44Å; P346-S348 PolarHBondContact O-N 3.08Å
349F89.5Confident74.5Confident23 Ų2386 Ų8610%0.10145%0.446CS..EExtended strand (participates in β ladder)trans-118160.8176.260.7-92.6000111.1T258 V259 H261 I263 F266 L351 A357 E362T258-F349 CarbonylContact C-O 3.54Å; T258-F349 VanDerWaalsContact CA-O 3.27Å; T258-F349 WeakPolarHBondContact CA-O 3.39Å; V259-F349 HydrophobicContact CB-CD1 4.45Å; V259-F349 HydrophobicContact CB-CD2 4.26Å; V259-F349 HydrophobicContact CB-CE1 4.03Å; V259-F349 HydrophobicContact CB-CE2 3.82Å; V259-F349 HydrophobicContact CB-CZ 3.7Å; V259-F349 HydrophobicContact CG1-CE1 4.07Å; V259-F349 HydrophobicContact CG1-CE2 4.43Å; V259-F349 HydrophobicContact CG1-CZ 3.83Å; V259-F349 HydrophobicContact CG2-CD2 4.42Å; V259-F349 HydrophobicContact CG2-CE2 3.79Å; V259-F349 HydrophobicContact CG2-CZ 4.02Å; V259-F349 PolarHBondContact N-O 3.35Å; V259-F349 PolarHBondContact O-N 3.38Å; V259-F349 VanDerWaalsContact O-N 3.11Å; H261-F349 WeakPolarHBondContact O-CD1 3.49Å; H261-F349 VanDerWaalsContact O-CE1 3.27Å; H261-F349 WeakPolarHBondContact O-CE1 3.49Å; I263-F349 HydrophobicContact CB-CD1 3.96Å; I263-F349 HydrophobicContact CB-CE1 3.98Å; I263-F349 HydrophobicContact CG1-CE1 4.32Å; F266-F349 HydrophobicContact CD2-CE1 4.21Å; F266-F349 HydrophobicContact CD2-CZ 4.18Å; F266-F349 AromaticContact CE2-CE1 3.77Å; F266-F349 HydrophobicContact CE2-CE1 3.77Å; F266-F349 AromaticContact CE2-CZ 3.79Å; F266-F349 HydrophobicContact CE2-CZ 3.79Å; F266-F349 HydrophobicContact CZ-CZ 4.45Å; F349-L351 HydrophobicContact CD2-CD2 4.44Å; F349-L351 HydrophobicContact CE2-CD2 3.94Å; F349-A357 HydrophobicContact CD2-CB 3.58Å; F349-A357 HydrophobicContact CE2-CB 3.6Å; F349-E362 WeakPolarHBondContact CB-OE2 3.35Å
350R89.6Confident74.9Confident125 Ų12587.2 Ų87.247%0.47245%0.454SS..EExtended strand (participates in β ladder)trans-107.7132.9179.8-160.7169.4-166.2123.24.7110G256 T258 E286G256-R350 PolarHBondContact O-NE 2.95Å; G256-R350 PolarHBondContact O-NH2 2.88Å; T258-R350 HydrophobicContact CG2-CB 4.06Å; T258-R350 HydrophobicContact CG2-CG 3.88Å; E286-R350 IonicContact OE1-CZ 3.83Å; E286-R350 IonicContact OE1-NH1 2.84Å; E286-R350 PolarHBondContact OE1-NH1 3.44Å; E286-R350 IonicContact OE1-NH2 2.8Å; E286-R350 PolarHBondContact OE1-NH2 2.93Å; E286-R350 IonicContact OE2-CZ 3.11Å; E286-R350 IonicContact OE2-NH1 2.81Å; E286-R350 PolarHBondContact OE2-NH1 3.43Å; E286-R350 IonicContact OE2-NH2 3.2Å; E286-R350 PolarHBondContact OE2-NH2 2.94Å
351L89.7Confident75.4Confident17 Ų1787.2 Ų87.29%0.08945%0.448CS..  trans-69.2131.3177.8-61.9178.8000110.1L254 G256 L257 V259 L289 F349 A357L254-L351 HydrophobicContact CB-CD1 3.9Å; L254-L351 WeakPolarHBondContact O-CD1 3.46Å; G256-L351 WeakPolarHBondContact CA-O 3.37Å; G256-L351 PolarHBondContact N-O 3.37Å; L257-L351 PolarHBondContact O-N 2.8Å; V259-L351 HydrophobicContact CG2-CD1 4.3Å; V259-L351 HydrophobicContact CG2-CD2 3.95Å; V259-L351 HydrophobicContact CG2-CG 4.06Å; L289-L351 HydrophobicContact CD1-CD1 4.07Å; F349-L351 HydrophobicContact CD2-CD2 4.44Å; F349-L351 HydrophobicContact CE2-CD2 3.94Å; L351-A357 HydrophobicContact CD2-CB 4.19Å
352E86.8Confident76.1Confident78 Ų7883.2 Ų83.236%0.36443%0.426SS..  trans-86.1-170.6178.2-59.6-153.9143.500111.6G354 G355 M356 R361E352-G354 PolarHBondContact O-N 2.93Å; E352-G355 PolarHBondContact O-N 2.99Å; E352-M356 PolarHBondContact N-O 2.85Å; E352-R361 WeakPolarHBondContact OE1-CD 3.41Å; E352-R361 IonicContact OE1-CZ 3.59Å; E352-R361 IonicContact OE1-NE 3.77Å; E352-R361 IonicContact OE1-NH1 2.69Å; E352-R361 PolarHBondContact OE1-NH1 2.81Å
353Q81.5Confident76.8Confident168 Ų16881.7 Ų81.779%0.78541%0.413SS*.THydrogen-bonded Turntrans-63.8118.1-174-62.4176.52.800110.9Q255Q255-Q353 HydrophobicContact CG-CG 4.45Å
354G79.1Confident77.9Confident23 Ų2385.9 Ų85.924%0.23742%0.423CS..THydrogen-bonded Turntrans94.18.3-174.100000115.8A251 E352 M356A251-G354 CarbonylContact C-O 3.3Å; A251-G354 WeakPolarHBondContact CB-O 3.47Å; A251-G354 CarbonylContact O-C 3.52Å; A251-G354 VanDerWaalsContact O-C 3.3Å; E352-G354 PolarHBondContact O-N 2.93Å; G354-M356 VanDerWaalsContact C-N 3.28Å; G354-M356 PolarHBondContact O-N 3.25Å
355G75.6Confident78.5Confident20 Ų2084.5 Ų84.521%0.20642%0.42CS..SBendtrans78.210.317300000114.8A251 E352A251-G355 WeakPolarHBondContact O-CA 3.43Å; A251-G355 PolarHBondContact O-N 3.48Å; E352-G355 PolarHBondContact O-N 2.99Å
356M78.9Confident78.7Confident150 Ų15082.1 Ų82.174%0.73941%0.409SS*.  trans-93.7151.5171.8-61.5-177.7-179.600109.7E352 G354E352-M356 PolarHBondContact N-O 2.85Å; G354-M356 VanDerWaalsContact C-N 3.28Å; G354-M356 PolarHBondContact O-N 3.25Å
357A76.9Confident79Confident35 Ų3585 Ų8529%0.28942%0.417SS..  trans-122113.716800000108.5I263 F349 L351 G359I263-A357 HydrophobicContact CD1-CB 4.18Å; F349-A357 HydrophobicContact CD2-CB 3.58Å; F349-A357 HydrophobicContact CE2-CB 3.6Å; L351-A357 HydrophobicContact CD2-CB 4.19Å; A357-G359 PolarHBondContact O-N 3.32Å
358D69.9Low78.9Confident94 Ų9483.6 Ų83.650%0.50341%0.413SS..  trans-84.2103.4172.5-170.9-11000109.5L360 R361D358-L360 PolarHBondContact O-N 3.41Å; D358-L360 WeakPolarHBondContact OD1-CB 3.16Å; D358-L360 WeakPolarHBondContact OD1-CG 3.3Å; D358-L360 PolarHBondContact OD1-N 3.02Å; D358-R361 PolarHBondContact O-N 3.42Å; D358-R361 VanDerWaalsContact O-N 3.12Å
359G66.5Low78.6Confident12 Ų1288.6 Ų88.612%0.12442%0.423CS..Hα-helixtrans-62.3-8.2-17900000114.9A357 R361 R363A357-G359 PolarHBondContact O-N 3.32Å; G359-R361 VanDerWaalsContact C-N 3.33Å; G359-R363 WeakPolarHBondContact O-CB 3.48Å; G359-R363 WeakPolarHBondContact O-CD 3.29Å; G359-R363 VanDerWaalsContact O-CG 3.23Å; G359-R363 WeakPolarHBondContact O-CG 3.34Å; G359-R363 PolarHBondContact O-N 2.84Å; G359-R363 VanDerWaalsContact O-N 3.07Å
360L71.9Confident78.3Confident108 Ų10889.7 Ų89.757%0.56544%0.437SS*.Hα-helixtrans-57.3-46.2168-66.7176.2000111.4D358 R363 E364D358-L360 PolarHBondContact O-N 3.41Å; D358-L360 WeakPolarHBondContact OD1-CB 3.16Å; D358-L360 WeakPolarHBondContact OD1-CG 3.3Å; D358-L360 PolarHBondContact OD1-N 3.02Å; L360-R363 PolarHBondContact O-N 2.84Å; L360-E364 WeakPolarHBondContact O-CB 3.33Å; L360-E364 WeakPolarHBondContact O-CG 3.22Å; L360-E364 PolarHBondContact O-N 3.11Å
361R68.8Low78.1Confident150 Ų15089.1 Ų89.157%0.56644%0.437SS*.Hα-helixtrans-68.7-38.3-175.4-170.4-178.9-172.8163.25.7112.8E352 D358 G359 L365E352-R361 WeakPolarHBondContact OE1-CD 3.41Å; E352-R361 IonicContact OE1-CZ 3.59Å; E352-R361 IonicContact OE1-NE 3.77Å; E352-R361 IonicContact OE1-NH1 2.69Å; E352-R361 PolarHBondContact OE1-NH1 2.81Å; D358-R361 PolarHBondContact O-N 3.42Å; D358-R361 VanDerWaalsContact O-N 3.12Å; G359-R361 VanDerWaalsContact C-N 3.33Å; R361-L365 WeakPolarHBondContact O-CG 3.44Å; R361-L365 PolarHBondContact O-N 2.97Å; R361-L365 VanDerWaalsContact O-N 3.09Å
362E71.2Confident77.8Confident43 Ų4393.1 Ų93.120%0.20146%0.459CS..Hα-helixtrans-68.7-45.7176.2-173.4175.4-15700111I263 F349 E364 L365 E366I263-E362 VanDerWaalsContact CG2-OE2 3.3Å; I263-E362 WeakPolarHBondContact CG2-OE2 3.37Å; F349-E362 WeakPolarHBondContact CB-OE2 3.35Å; E362-E364 VanDerWaalsContact C-N 3.32Å; E362-E364 PolarHBondContact O-N 3.21Å; E362-L365 CarbonylContact O-C 3.58Å; E362-L365 WeakPolarHBondContact O-CA 3.44Å; E362-L365 WeakPolarHBondContact O-CB 3.49Å; E362-L365 PolarHBondContact O-N 3.01Å; E362-E366 PolarHBondContact O-N 2.92Å
363R73.7Confident77.4Confident127 Ų12798.1 Ų98.148%0.47947%0.474SS..Hα-helixtrans-62.2-37.4175.8-71.7171.3177.4165.6-0.6112.3D264 G359 L360 E366 E367D264-R363 IonicContact OD1-CZ 3.56Å; D264-R363 IonicContact OD1-NE 3.63Å; D264-R363 IonicContact OD1-NH2 2.68Å; D264-R363 PolarHBondContact OD1-NH2 3.23Å; G359-R363 WeakPolarHBondContact O-CB 3.48Å; G359-R363 WeakPolarHBondContact O-CD 3.29Å; G359-R363 VanDerWaalsContact O-CG 3.23Å; G359-R363 WeakPolarHBondContact O-CG 3.34Å; G359-R363 PolarHBondContact O-N 2.84Å; G359-R363 VanDerWaalsContact O-N 3.07Å; L360-R363 PolarHBondContact O-N 2.84Å; R363-E366 PolarHBondContact O-N 3.32Å; R363-E367 WeakPolarHBondContact O-CB 3.39Å; R363-E367 PolarHBondContact O-N 3.41Å
364E77.1Confident77.3Confident125 Ų12596.2 Ų96.258%0.58447%0.469SS*.Hα-helixtrans-61.3-42.9170.8-79.3-175.9174.600112.1L360 E362 E367 I368L360-E364 WeakPolarHBondContact O-CB 3.33Å; L360-E364 WeakPolarHBondContact O-CG 3.22Å; L360-E364 PolarHBondContact O-N 3.11Å; E362-E364 VanDerWaalsContact C-N 3.32Å; E362-E364 PolarHBondContact O-N 3.21Å; E364-E367 PolarHBondContact O-N 2.84Å; E364-I368 WeakPolarHBondContact O-CB 3.37Å; E364-I368 WeakPolarHBondContact O-CD1 3.49Å; E364-I368 WeakPolarHBondContact O-CG1 3.43Å; E364-I368 PolarHBondContact O-N 2.84Å
365L78.1Confident77.3Confident105 Ų105102.2 Ų102.255%0.5549%0.49SS..Hα-helixtrans-67.1-39.2176.2-73.9169.8000112.5R361 E362 I368 R369R361-L365 WeakPolarHBondContact O-CG 3.44Å; R361-L365 PolarHBondContact O-N 2.97Å; R361-L365 VanDerWaalsContact O-N 3.09Å; E362-L365 CarbonylContact O-C 3.58Å; E362-L365 WeakPolarHBondContact O-CA 3.44Å; E362-L365 WeakPolarHBondContact O-CB 3.49Å; E362-L365 PolarHBondContact O-N 3.01Å; L365-I368 PolarHBondContact O-N 3.09Å; L365-R369 VanDerWaalsContact O-CB 3.29Å; L365-R369 WeakPolarHBondContact O-CB 3.39Å; L365-R369 PolarHBondContact O-N 2.9Å
366E76.4Confident77.2Confident102 Ų102104.6 Ų104.648%0.47751%0.508SS..Hα-helixtrans-65.1-43.6172.8-70.9-151.1126.800111.8E362 R363 I368 R369 A370E362-E366 PolarHBondContact O-N 2.92Å; R363-E366 PolarHBondContact O-N 3.32Å; E366-I368 VanDerWaalsContact C-N 3.34Å; E366-I368 PolarHBondContact O-N 3.34Å; E366-R369 CarbonylContact O-C 3.58Å; E366-R369 PolarHBondContact O-N 2.92Å; E366-A370 WeakPolarHBondContact O-CB 3.4Å; E366-A370 PolarHBondContact O-N 3.38Å
367E83.1Confident76.6Confident111 Ų111106.3 Ų106.352%0.51952%0.515SS..Hα-helixtrans-59.5-43.5172.5-87.9-160.8-151.300111.5R363 E364 A370 K371R363-E367 WeakPolarHBondContact O-CB 3.39Å; R363-E367 PolarHBondContact O-N 3.41Å; E364-E367 PolarHBondContact O-N 2.84Å; E367-A370 PolarHBondContact O-N 2.63Å; E367-K371 WeakPolarHBondContact O-CB 3.41Å; E367-K371 VanDerWaalsContact O-CD 3.26Å; E367-K371 WeakPolarHBondContact O-CD 3.4Å; E367-K371 WeakPolarHBondContact O-CG 3.32Å; E367-K371 PolarHBondContact O-N 2.91Å; E367-K371 VanDerWaalsContact OE2-CE 3.29Å; E367-K371 WeakPolarHBondContact OE2-CE 3.3Å; E367-K371 IonicContact OE2-NZ 2.61Å; E367-K371 PolarHBondContact OE2-NZ 2.99Å
368I83.6Confident75.8Confident83 Ų83109.6 Ų109.643%0.42654%0.535SS..Hα-helixtrans-63.3-42.1175.1-73163.2000110.4E364 L365 E366 A370 K371 L372E364-I368 WeakPolarHBondContact O-CB 3.37Å; E364-I368 WeakPolarHBondContact O-CD1 3.49Å; E364-I368 WeakPolarHBondContact O-CG1 3.43Å; E364-I368 PolarHBondContact O-N 2.84Å; L365-I368 PolarHBondContact O-N 3.09Å; E366-I368 VanDerWaalsContact C-N 3.34Å; E366-I368 PolarHBondContact O-N 3.34Å; I368-A370 VanDerWaalsContact C-N 3.34Å; I368-A370 PolarHBondContact O-N 2.82Å; I368-K371 PolarHBondContact O-N 3.43Å; I368-L372 HydrophobicContact CG2-CD1 3.82Å; I368-L372 HydrophobicContact CG2-CG 4.39Å; I368-L372 VanDerWaalsContact O-CB 3.28Å; I368-L372 WeakPolarHBondContact O-CB 3.34Å; I368-L372 VanDerWaalsContact O-CG 3.28Å; I368-L372 WeakPolarHBondContact O-CG 3.44Å; I368-L372 PolarHBondContact O-N 3.13Å
369R82.1Confident75Confident161 Ų161113 Ų11361%0.60855%0.552SS**Hα-helixtrans-66-35.2177-158.8176-163-178.86.1112L365 E366 R373L365-R369 VanDerWaalsContact O-CB 3.29Å; L365-R369 WeakPolarHBondContact O-CB 3.39Å; L365-R369 PolarHBondContact O-N 2.9Å; E366-R369 CarbonylContact O-C 3.58Å; E366-R369 PolarHBondContact O-N 2.92Å; R369-R373 WeakPolarHBondContact O-CB 3.41Å; R369-R373 VanDerWaalsContact O-CG 3.27Å; R369-R373 WeakPolarHBondContact O-CG 3.44Å; R369-R373 PolarHBondContact O-N 2.84Å
370A83.6Confident74.6Confident47 Ų47116.7 Ų116.739%0.38858%0.577SS.*Hα-helixtrans-70.5-46.4173.100000111.8E366 E367 I368 L372 R373 L374E366-A370 WeakPolarHBondContact O-CB 3.4Å; E366-A370 PolarHBondContact O-N 3.38Å; E367-A370 PolarHBondContact O-N 2.63Å; I368-A370 VanDerWaalsContact C-N 3.34Å; I368-A370 PolarHBondContact O-N 2.82Å; A370-L372 PolarHBondContact O-N 3.06Å; A370-R373 PolarHBondContact O-N 3.42Å; A370-L374 WeakPolarHBondContact O-CG 3.36Å; A370-L374 PolarHBondContact O-N 3.42Å
371K86.8Confident74.4Confident112 Ų112117.1 Ų117.149%0.48758%0.584SS.*Hα-helixtrans-59.6-44.4174.7-69.8158.8-165.61690111E367 I368 L374 Q375E367-K371 WeakPolarHBondContact O-CB 3.41Å; E367-K371 VanDerWaalsContact O-CD 3.26Å; E367-K371 WeakPolarHBondContact O-CD 3.4Å; E367-K371 WeakPolarHBondContact O-CG 3.32Å; E367-K371 PolarHBondContact O-N 2.91Å; E367-K371 VanDerWaalsContact OE2-CE 3.29Å; E367-K371 WeakPolarHBondContact OE2-CE 3.3Å; E367-K371 IonicContact OE2-NZ 2.61Å; E367-K371 PolarHBondContact OE2-NZ 2.99Å; I368-K371 PolarHBondContact O-N 3.43Å; K371-L374 PolarHBondContact O-N 3.36Å; K371-Q375 VanDerWaalsContact O-CB 3.24Å; K371-Q375 WeakPolarHBondContact O-CB 3.07Å; K371-Q375 PolarHBondContact O-N 2.88Å
372L82.2Confident74.3Confident102 Ų102115.7 Ų115.753%0.53459%0.591SS.*Hα-helixtrans-61.9-44173.3-77.8168000112.2I368 A370 L374 Q375 A376I368-L372 HydrophobicContact CG2-CD1 3.82Å; I368-L372 HydrophobicContact CG2-CG 4.39Å; I368-L372 VanDerWaalsContact O-CB 3.28Å; I368-L372 WeakPolarHBondContact O-CB 3.34Å; I368-L372 VanDerWaalsContact O-CG 3.28Å; I368-L372 WeakPolarHBondContact O-CG 3.44Å; I368-L372 PolarHBondContact O-N 3.13Å; A370-L372 PolarHBondContact O-N 3.06Å; L372-L374 VanDerWaalsContact C-N 3.31Å; L372-L374 PolarHBondContact O-N 3.11Å; L372-Q375 CarbonylContact O-C 3.58Å; L372-Q375 PolarHBondContact O-N 2.84Å; L372-A376 WeakPolarHBondContact O-CB 3.44Å; L372-A376 PolarHBondContact O-N 3.29Å
373R78.9Confident74.2Confident183 Ų183116 Ų11669%0.69161%0.606SS**Hα-helixtrans-62.4-34.3174.8-80.8169.6167.9159.8-6.1113.1R369 A370R369-R373 WeakPolarHBondContact O-CB 3.41Å; R369-R373 VanDerWaalsContact O-CG 3.27Å; R369-R373 WeakPolarHBondContact O-CG 3.44Å; R369-R373 PolarHBondContact O-N 2.84Å; A370-R373 PolarHBondContact O-N 3.42Å
374L79.9Confident74Confident128 Ų128116.4 Ų116.467%0.6763%0.625SS**Hα-helixtrans-76.7-29.1174.3-68.6170000112.9A370 K371 L372A370-L374 WeakPolarHBondContact O-CG 3.36Å; A370-L374 PolarHBondContact O-N 3.42Å; K371-L374 PolarHBondContact O-N 3.36Å; L372-L374 VanDerWaalsContact C-N 3.31Å; L372-L374 PolarHBondContact O-N 3.11Å
375Q79.3Confident73.3Confident148 Ų148121 Ų12169%0.69264%0.637SS**Hα-helixtrans-84.7-19.3176.9-173.5172.7-11.300112.9K371 L372 Q377K371-Q375 VanDerWaalsContact O-CB 3.24Å; K371-Q375 WeakPolarHBondContact O-CB 3.07Å; K371-Q375 PolarHBondContact O-N 2.88Å; L372-Q375 CarbonylContact O-C 3.58Å; L372-Q375 PolarHBondContact O-N 2.84Å; Q375-Q377 VanDerWaalsContact C-N 3.28Å; Q375-Q377 PolarHBondContact O-N 2.95Å
376A73.3Confident73.1Confident71 Ų71124.4 Ų124.459%0.58766%0.655SS**  trans-69.678.8178.900000111.8L372 S378L372-A376 WeakPolarHBondContact O-CB 3.44Å; L372-A376 PolarHBondContact O-N 3.29Å; A376-S378 PolarHBondContact O-N 2.9Å
377Q65.2Low72.3Confident186 Ų186124 Ų12487%0.86967%0.669SS**  trans-61.1107.9165-64.4-179.98.500108.2Q375 L379Q375-Q377 VanDerWaalsContact C-N 3.28Å; Q375-Q377 PolarHBondContact O-N 2.95Å; Q377-L379 PolarHBondContact O-N 3.47Å
378S61.3Low71.8Confident103 Ų103122.8 Ų122.872%0.7267%0.673SS**  trans-62.1134.7175.257.20000109.2A376 S380A376-S378 PolarHBondContact O-N 2.9Å; S378-S380 PolarHBondContact O-N 2.66Å
379L51.7Low71.6Confident165 Ų165127 Ų12786%0.86469%0.691SS**  trans-78.445.7-179.3-145.4153.2000111Q377 T381Q377-L379 PolarHBondContact O-N 3.47Å; L379-T381 HydrophobicContact CD2-CG2 4.39Å; L379-T381 PolarHBondContact O-N 3.2Å; L379-T381 VanDerWaalsContact O-N 3.12Å
380S58.8Low71.2Confident91 Ų91128.4 Ų128.464%0.63670%0.697SS**  trans-74.791.8171.1-174.90000108.2S378 V382S378-S380 PolarHBondContact O-N 2.66Å; S380-V382 PolarHBondContact O-N 2.6Å; S380-V382 VanDerWaalsContact O-N 3.12Å
381T67.6Low71Confident116 Ų116130.8 Ų130.871%0.71270%0.703SS**  trans-59.8117166.951.70000108L379 G383L379-T381 HydrophobicContact CD2-CG2 4.39Å; L379-T381 PolarHBondContact O-N 3.2Å; L379-T381 VanDerWaalsContact O-N 3.12Å; T381-G383 PolarHBondContact O-N 2.92Å
382V65.8Low70.7Confident120 Ų120128 Ų12873%0.72770%0.696SS**  trans-54.4110.7-179.1179.30000108.9S380S380-V382 PolarHBondContact O-N 2.6Å; S380-V382 VanDerWaalsContact O-N 3.12Å
383G69.3Low70.2Confident49 Ų49128.4 Ų128.451%0.50570%0.704SS.*  trans-54.7144.6-179.200000110.8T381 R385T381-G383 PolarHBondContact O-N 2.92Å; G383-R385 PolarHBondContact O-N 3.36Å
384P69.3Low69.9Low137 Ų137127.4 Ų127.489%0.8971%0.708SS**  trans-59.3101.7-167.523.1-34.2000111.3L386P384-L386 PolarHBondContact O-N 3.33Å
385R62.2Low69.4Low221 Ų221125.7 Ų125.783%0.83470%0.696SS**PPolyproline II helixtrans-64.9133.2171.7-78.2-176.9166171.6-4.2108.5G383 A387G383-R385 PolarHBondContact O-N 3.36Å; R385-A387 PolarHBondContact O-N 2.88Å
386L75Confident68.8Low177 Ų177123.9 Ų123.993%0.92769%0.689SS**PPolyproline II helixtrans-58.2123.6172.4-171.370.1000108.5P384 S388P384-L386 PolarHBondContact O-N 3.33Å; L386-S388 PolarHBondContact O-N 3.27Å
387A59.1Low68.4Low92 Ų92125.3 Ų125.376%0.7669%0.69SS**PPolyproline II helixtrans-65.7119-17300000110.8R385 E389R385-A387 PolarHBondContact O-N 2.88Å; A387-E389 PolarHBondContact O-N 2.93Å
388S73.2Confident68.2Low86 Ų86120.6 Ų120.660%0.60168%0.683SS**PPolyproline II helixtrans-73.7121.2170.149.20000109.6L386 Y390L386-S388 PolarHBondContact O-N 3.27Å; S388-Y390 PolarHBondContact O-N 2.88Å
389E78.5Confident68Low173 Ų173123.3 Ų123.381%0.80868%0.682SS**SBendtrans-63.8-9.2-179-60-176.8154.700113.9A387A387-E389 PolarHBondContact O-N 2.93Å
390Y73.8Confident68.7Low189 Ų189125.2 Ų125.274%0.74168%0.678SS**SBendtrans-120.9124.9179.5-56.2-86000109.5S388S388-Y390 PolarHBondContact O-N 2.88Å
391L79.4Confident68.7Low97 Ų97132.3 Ų132.351%0.50869%0.691SS.*  trans-73.4135.2-179.2-171.966.1000110.8E395 M396L391-E395 HydrophobicContact CD1-CB 3.69Å; L391-E395 HydrophobicContact CD1-CG 4.39Å; L391-E395 HydrophobicContact CG-CB 4.13Å; L391-M396 HydrophobicContact CD2-CG 3.78Å; L391-M396 HydrophobicContact CD2-SD 3.69Å; L391-M396 HydrophobicContact CG-CG 4.14Å
392T80.6Confident68.1Low55 Ų55132.8 Ų132.834%0.33769%0.693SS.*  trans-72.8154.7-177.268.20000112.2E394 E395 M396T392-E394 PolarHBondContact O-N 3.12Å; T392-E395 VanDerWaalsContact CB-OE2 3.3Å; T392-E395 WeakPolarHBondContact CB-OE2 3.3Å; T392-E395 WeakPolarHBondContact CG2-OE2 3.38Å; T392-E395 PolarHBondContact N-OE2 3.03Å; T392-E395 PolarHBondContact O-N 3.09Å; T392-E395 VanDerWaalsContact OG1-CG 3.23Å; T392-E395 WeakPolarHBondContact OG1-CG 3.47Å; T392-E395 PolarHBondContact OG1-N 2.85Å; T392-E395 PolarHBondContact OG1-OE2 2.74Å; T392-M396 PolarHBondContact O-N 2.72Å; T392-M396 VanDerWaalsContact O-N 3.15Å
393P72.1Confident67.6Low109 Ų109136.7 Ų136.771%0.70870%0.701SS**THydrogen-bonded Turntrans-62.9-23.7176.825-34.8000113.4
394E71.7Confident66.9Low163 Ų163145.6 Ų145.676%0.76272%0.719SS**THydrogen-bonded Turntrans-76.6-44.6178-59.9-173.4148.800111.4T392 M396 V397T392-E394 PolarHBondContact O-N 3.12Å; E394-M396 PolarHBondContact O-N 3.11Å; E394-V397 WeakPolarHBondContact O-CB 3.42Å; E394-V397 PolarHBondContact O-N 3.31Å
395E71.4Confident66.1Low91 Ų91149.1 Ų149.143%0.42572%0.715SS.*Hα-helixtrans-62.1-34174-67.8163.4129.300111.8L391 T392 V397 A398 F399L391-E395 HydrophobicContact CD1-CB 3.69Å; L391-E395 HydrophobicContact CD1-CG 4.39Å; L391-E395 HydrophobicContact CG-CB 4.13Å; T392-E395 VanDerWaalsContact CB-OE2 3.3Å; T392-E395 WeakPolarHBondContact CB-OE2 3.3Å; T392-E395 WeakPolarHBondContact CG2-OE2 3.38Å; T392-E395 PolarHBondContact N-OE2 3.03Å; T392-E395 PolarHBondContact O-N 3.09Å; T392-E395 VanDerWaalsContact OG1-CG 3.23Å; T392-E395 WeakPolarHBondContact OG1-CG 3.47Å; T392-E395 PolarHBondContact OG1-N 2.85Å; T392-E395 PolarHBondContact OG1-OE2 2.74Å; E395-V397 PolarHBondContact O-N 2.97Å; E395-A398 WeakPolarHBondContact O-CB 3.29Å; E395-A398 PolarHBondContact O-N 3.23Å; E395-A398 VanDerWaalsContact O-N 3.13Å; E395-F399 PolarHBondContact O-N 3.27Å
396M65.4Low65.4Low110 Ų110144.9 Ų144.954%0.54271%0.713SS.*Hα-helixtrans-62.1-21.2172.1-80.7-75.4-79.900114.2L391 T392 E394L391-M396 HydrophobicContact CD2-CG 3.78Å; L391-M396 HydrophobicContact CD2-SD 3.69Å; L391-M396 HydrophobicContact CG-CG 4.14Å; T392-M396 PolarHBondContact O-N 2.72Å; T392-M396 VanDerWaalsContact O-N 3.15Å; E394-M396 PolarHBondContact O-N 3.11Å
397V64.9Low64.4Low102 Ų102146.8 Ų146.862%0.61871%0.708SS**Hα-helixtrans-76-40.9172.2178.90000110.8E394 E395 F399 R400E394-V397 WeakPolarHBondContact O-CB 3.42Å; E394-V397 PolarHBondContact O-N 3.31Å; E395-V397 PolarHBondContact O-N 2.97Å; V397-F399 PolarHBondContact O-N 2.92Å; V397-R400 WeakPolarHBondContact O-CB 3.44Å; V397-R400 PolarHBondContact O-N 3.46Å
398A60.7Low63.9Low87 Ų87151.4 Ų151.472%0.71971%0.711SS**Hα-helixtrans-60.6-32.5179.800000113E395 R400E395-A398 WeakPolarHBondContact O-CB 3.29Å; E395-A398 PolarHBondContact O-N 3.23Å; E395-A398 VanDerWaalsContact O-N 3.13Å; A398-R400 PolarHBondContact O-N 3.33Å
399F58.4Low62.6Low160 Ų160155.6 Ų155.670%0.70272%0.724SS**THydrogen-bonded Turntrans-71-11175.6-86.2-85.6000114.8E395 V397 R401E395-F399 PolarHBondContact O-N 3.27Å; V397-F399 PolarHBondContact O-N 2.92Å; F399-R401 VanDerWaalsContact C-N 3.26Å; F399-R401 PolarHBondContact O-N 2.84Å
400R64.8Low61Low205 Ų205158 Ų15877%0.77473%0.726SS**  trans-78.969.1178.2-69.3-169.7166-152.2-3.7112.7V397 A398 T402V397-R400 WeakPolarHBondContact O-CB 3.44Å; V397-R400 PolarHBondContact O-N 3.46Å; A398-R400 PolarHBondContact O-N 3.33Å; R400-T402 PolarHBondContact O-N 3.37Å
401R59.6Low59.6Low240 Ų240158.8 Ų158.891%0.90673%0.733SS**  trans-42.7107.9171.2-82.3-179.5162.1176.7-4.9112.2F399 K403F399-R401 VanDerWaalsContact C-N 3.26Å; F399-R401 PolarHBondContact O-N 2.84Å; R401-K403 PolarHBondContact O-N 2.84Å
402T54.8Low57.7Low125 Ų125163.2 Ų163.277%0.76775%0.749SS**  trans-71.7122.2175.453.90000110.2R400 R404R400-T402 PolarHBondContact O-N 3.37Å; T402-R404 PolarHBondContact O-N 3.42Å
403K55.6Low55.6Low202 Ų202169.9 Ų169.988%0.87878%0.776SS**  trans-72.591.6-179.1-68.7-176.8179.4178.80110.4R401 R405R401-K403 PolarHBondContact O-N 2.84Å; K403-R405 PolarHBondContact O-N 3.48Å
404R54.8Low54Low236 Ų236173.8 Ų173.889%0.89178%0.782SS**  trans-56.4109.2175.8-61.5-176.695.3-178.57.6110T402 V406T402-R404 PolarHBondContact O-N 3.42Å; R404-V406 PolarHBondContact O-N 2.97Å
405R51.6Low52.2Low212 Ų212174.9 Ų174.980%0.879%0.787SS**  trans-72.4119.4176.4-69.517569.7-168.46.8109.6K403 R407K403-R405 PolarHBondContact O-N 3.48Å; R405-R407 PolarHBondContact O-N 3.16Å
406V48.9Very low50.7Low132 Ų132176.4 Ų176.480%0.880%0.802SS**  trans-67.4121.11731790000109.8R404R404-V406 PolarHBondContact O-N 2.97Å
407R54Low49.6Very low216 Ų216176.9 Ų176.982%0.81581%0.811SS**  trans-128.7114.1160.1-86.2-173.6162.9-179.1-6.5108.7R405R405-R407 PolarHBondContact O-N 3.16Å
408K48.8Very low48.8Very low189 Ų189177.3 Ų177.382%0.82281%0.813SS**  trans-74.1131.8169.5-70.6176.6175.7175.70109.2
409I44.5Very low48Very low174 Ų174182.2 Ų182.289%0.89281%0.813SS**  trans-146.4153.5144.9-96141.1000106.2
410R44.7Very low47.7Very low225 Ų225178.8 Ų178.885%0.84982%0.815SS**  trans-119.3141-163.1-55.3152.389.2170.56.5109.8
411K44.4Very low47.4Very low204 Ų204175.2 Ų175.289%0.88781%0.811SS**  -174.4152.9127-99.1156.9-174.2-175.80111
412K40.7Very low47.3Very low191 Ų191170.5 Ų170.583%0.8380%0.803SS**  trans-8.9147.3157.3-67.1178.5178.5-175.40116
413E36.1Very low47.2Very low194 Ų194171.5 Ų171.591%0.90780%0.804SS**  cis-119.6-17447.3-77.1175.2161.800117.6
414K38.8Very low46.8Very low192 Ų192169.9 Ų169.984%0.83580%0.803SS**  trans-89.1136.6-170.4-81.4-179.8168.5-1760111V416K414-V416 PolarHBondContact O-N 2.82Å
415E33.5Very low46.7Very low186 Ų186164.3 Ų164.387%0.86980%0.798SS**  trans-62.4115.2151.2-65.8157.1164.400108.2
416V40.1Very low46.3Very low122 Ų122162.9 Ų162.974%0.73981%0.805SS**  trans-85.9112.5161.21750000106.2K414 V418K414-V416 PolarHBondContact O-N 2.82Å; V416-V418 PolarHBondContact O-N 3.05Å
417V41.4Very low45.6Very low120 Ų120160.1 Ų160.173%0.72780%0.804SS**  trans-68.8101.1172.11780000107.6R419V417-R419 PolarHBondContact O-N 2.73Å
418V48Very low44.8Very low111 Ų111157.4 Ų157.467%0.67381%0.805SS**  trans-59.3125.9164.3-178.80000107V416 D422V416-V418 PolarHBondContact O-N 3.05Å; V418-D422 HydrophobicContact CG1-CB 4.45Å
419R45Very low44.1Very low191 Ų191156.6 Ų156.672%0.72180%0.804SS**  trans-89.4165.3178.4-73-172.6162.8-136.6-3.6110.5V417 D421V417-R419 PolarHBondContact O-N 2.73Å; R419-D421 WeakPolarHBondContact CB-OD2 3.48Å; R419-D421 PolarHBondContact O-N 3.2Å
420A51Low43.8Very low88 Ų88152.9 Ų152.973%0.72779%0.79SS**THydrogen-bonded Turntrans-69.711.4-179.800000114.5
421D59.9Low43.5Very low129 Ų129150.5 Ų150.569%0.6979%0.788SS**THydrogen-bonded Turntrans-98.3-8.1-173.8-50.4-62.9000112.9R419R419-D421 WeakPolarHBondContact CB-OD2 3.48Å; R419-D421 PolarHBondContact O-N 3.2Å
422D57.8Low43Very low141 Ų141149.2 Ų149.275%0.75479%0.791SS**SBendtrans-98.512.8-179.3-124.6-1.1000112.9V418V418-D422 HydrophobicContact CG1-CB 4.45Å
423L52.1Low43Very low147 Ų147143.2 Ų143.277%0.7778%0.784SS**  trans-10172179.3-70175.6000111.3
424L46.5Very low42.9Very low167 Ų167140.1 Ų140.187%0.87477%0.774SS**  trans-87.9124.7168.5-72.4177.6000110.8
425P51.9Low42.8Very low120 Ų120139.6 Ų139.678%0.77977%0.772SS**  trans-91.9119.6-172.433.6-33.5000113.6
426L43.3Very low43Very low182 Ų182134.8 Ų134.895%0.95377%0.772SS**  trans-150.6123.9164.8-89.8163.3000107.2
427G36Very low43Very low74 Ų74133.6 Ų133.676%0.76377%0.769SS**  cis-169.2132.7-10.700000107.7
428D36.7Very low43.1Very low158 Ų158138.7 Ų138.785%0.84578%0.775SS**  trans-86.4138-157.4-16616.9000115
429Q33.8Very low42.5Very low173 Ų173141.8 Ų141.881%0.80879%0.787SS**  trans-148.5127.8163.2-72.4-166.354.700107.3
430T37.3Very low42.3Very low96 Ų96144.1 Ų144.159%0.58980%0.795SS**  cis-161.2156.24.59.80000110.1
431Q39.9Very low41.4Very low175 Ų175143.3 Ų143.382%0.81880%0.796SS**  trans62.2115.5154-66.416963.600118.3
432D33.6Very low40.3Very low176 Ų176149.4 Ų149.494%0.94181%0.809SS**  -158154.9121.3-108-24.4000108.4
433G39.4Very low39Very low66 Ų66146.5 Ų146.568%0.6881%0.812SS**  trans-168.9160173.500000111.9
434D35.1Very low38Very low129 Ų129150.6 Ų150.669%0.6982%0.818SS**  trans-161.3162158.5-129.6-28000118
435F37.1Very low37.2Very low181 Ų181153.9 Ų153.979%0.79482%0.818SS**  trans3982.6157.6-57.5-48.5000120.5
436G37Very low35.9Very low84 Ų84159.1 Ų159.187%0.86682%0.823SS**  trans-73.9141.615300000112.7
437S39.2Very low35.1Very low97 Ų97156 Ų15668%0.67881%0.811SS**  trans-147140.9169.9100.80000114.4
438R44.2Very low34.7Very low228 Ų228157 Ų15786%0.8681%0.806SS**  trans61.6103.5154.6-59.3169.8173.3175.8-0.6118.6
439L36.1Very low34.2Very low176 Ų176158 Ų15892%0.92181%0.806SS**  -174.3-17897.4-99.4163.9000113.5
440R40.3Very low34Very low239 Ų239156 Ų15690%0.90281%0.805SS**  trans-114.1145.7-163.5-52.2178.2-176.9-1501.5114.1
441G32.7Very low33.5Very low71 Ų71160.3 Ų160.373%0.73282%0.819SS**  103112.7112.400000121.2
442R35.8Very low33.1Very low257 Ų257160.7 Ų160.797%0.9782%0.82SS**  trans40.1125.1145.6-55.8-170.9-175.5-79.75.6120.4
443G30.9Very low32.9Very low80 Ų80162 Ų16283%0.82582%0.821SS**  trans-142.5-47174.600000119.8
444R31.6Very low32.7Very low234 Ų234168.5 Ų168.588%0.88383%0.83SS**  trans43.991.1169.3-163.5-162.7-156.5-83.81.9120.2
445R28.8Very low32.4Very low235 Ų235171.6 Ų171.689%0.88784%0.841SS**  trans-175.4121.9143.9-105.4160.8177.7156.8-1.5107.3
446R25.8Very low32.6Very low231 Ų231168.8 Ų168.887%0.87284%0.841SS**  45.2126.175.6-106.6-168.1-172-140.12.8111.8
447V26.4Very low32.5Very low116 Ų116171.1 Ų171.170%0.70384%0.838SS**  cis-150.4152.438.4-179.30000111.8
448S26.6Very low32.4Very low96 Ų96172.2 Ų172.267%0.67184%0.842SS**  trans51.7139.9157.760.90000121
449E27Very low32Very low177 Ų177170.5 Ų170.583%0.82784%0.844SS**  cis-167.3154.3-13.6-126158.3-177.400109.3
450V28.9Very low32.1Very low131 Ų131168 Ų16879%0.79484%0.839SS**  trans56.3101.7168.3-171.20000117.7
451E27.8Very low31.9Very low188 Ų188164.4 Ų164.488%0.87984%0.836SS**  -157.7177.5116.4-115169.8-162.500110.8
452E31.3Very low32.3Very low183 Ų183167.2 Ų167.286%0.85584%0.842SS**  trans-56.1151.1-155-49.6-175.4120.500119.2
453E29.2Very low32.2Very low203 Ų203159.5 Ų159.595%0.94983%0.827SS**  -165175.8116.8-116.8177.2-156.400112.4
454K34.9Very low32.1Very low203 Ų203163.2 Ų163.288%0.88383%0.828SS**  trans-149.3103.8-155.7-179-171-179.6-175.90114.1
455E28.8Very low32Very low193 Ų193158.8 Ų158.890%0.90282%0.822SS**  trans-136.3152.9170.3-76.2-157.5141.500113.5
456P40.7Very low32.2Very low123 Ų123152.9 Ų152.980%0.79981%0.812SS**  trans-99.1122.5-177.536-31.9000116
457V36.3Very low32.5Very low133 Ų133151 Ų15181%0.80681%0.805SS**  trans14.9126.3146.2-172.40000120.3
458P36.6Very low32.9Very low119 Ų119149.6 Ų149.677%0.77380%0.797SS**  trans-91169.7168.738.4-36000114
459Q35.1Very low33.3Very low192 Ų192152 Ų15290%0.89780%0.798SS**  trans-125136.6171.8-70.7-171.8-900113
460P38.9Very low33.7Very low124 Ų124150.6 Ų150.681%0.80580%0.796SS**  trans-108.4-178.2172.340.6-33.6000114
461L35.2Very low33.8Very low163 Ų163153.1 Ų153.185%0.85380%0.801SS**  trans-50159.4178.4-56.4166.9000115.7
462P42.2Very low34Very low131 Ų131150.6 Ų150.685%0.85179%0.793SS**  -130.1172118.938.9-32.5000114
463S32.3Very low33.8Very low94 Ų94149 Ų14966%0.65779%0.789SS**  trans-143.8136.5177550000110.5
464D29.6Very low34Very low158 Ų158144.4 Ų144.485%0.84578%0.779SS**  trans59149.6165.1-41.2-32.1000115.9
465D30.5Very low33.9Very low141 Ų141142.2 Ų142.275%0.75478%0.777SS**  cis-159.2173.813.3-161.5-6000110.4
466T31.6Very low34.2Very low112 Ų112141.1 Ų141.169%0.68777%0.772SS**  trans72.7124.3166.463.80000118.2
467R32.5Very low33.9Very low192 Ų192143.1 Ų143.173%0.72577%0.771SS**  77.9119.466-143.9-176.782.583.4-1.8110.8
468V34.7Very low33.7Very low86 Ų86145.2 Ų145.252%0.52177%0.772SS.*  cis-156.3168.212.9-118.90000112.9
469E34.3Very low33.4Very low147 Ų147143 Ų14369%0.68777%0.771SS**  trans30.8118.5143-61.6142.2179.800119.5
470N35.3Very low33.1Very low147 Ų147137.9 Ų137.979%0.78677%0.77SS**  177.6115.891.7-89-68.3000109.5
471M31.5Very low32.8Very low183 Ų183136.6 Ų136.690%0.90177%0.769SS**  trans-112.9112.3164-102.4-165.273.200107.8
472D31.8Very low33.3Very low135 Ų135134 Ų13472%0.72276%0.763SS**  trans-116.4134.7167.1-112.6-38.8000108.9
473I28.6Very low32.8Very low149 Ų149136 Ų13676%0.76476%0.761SS**  trans57.2104.8156.7-55.9174.1000116.7
474S32.9Very low33.4Very low107 Ų107137.3 Ų137.375%0.74877%0.767SS**  trans-66.2141.7150.8-470000110.3
475D32.1Very low33.5Very low157 Ų157133.7 Ų133.784%0.8477%0.767SS**  trans-151.6145.7134-138.9-1.4000111.1
476E34.6Very low33.8Very low170 Ų170132.5 Ų132.579%0.79477%0.769SS**  trans-89.5173.5159.8-59177.9125.300105.6
477E35.5Very low34.4Very low166 Ų166132.4 Ų132.478%0.77677%0.771SS**  cis-164.2176.521.1-158.2-176122.500107.1
478E32.7Very low34.5Very low177 Ų177131.9 Ų131.983%0.82778%0.776SS**  trans52.7121.5149.2-153.371.7157.600122.9
479G30.4Very low35Very low73 Ų73133 Ų13375%0.75378%0.783SS**  trans130.795.6138.600000120.9
480G28.5Very low35.3Very low84 Ų84133.6 Ų133.687%0.86679%0.79SS**  trans92.6111.5137.900000120.5
481A31.7Very low36Very low97 Ų97135.5 Ų135.580%0.80279%0.794SS**  trans-87.9177.4160.700000110.8
482P45.5Very low36.8Very low109 Ų109134.4 Ų134.471%0.70879%0.787SS**  cis-145.8174.21345.1-25.6000118.8
483Q31.5Very low38.2Very low173 Ų173134.1 Ų134.181%0.80879%0.786SS**  trans19164.1133.3-54.9-69.7-16.800121.8
484P45.8Very low39.9Very low121 Ų121135.3 Ų135.379%0.78679%0.788SS**  cis-137.4-178.1-34.938.9-22000113.6
485G30.8Very low41.1Very low82 Ų82133.9 Ų133.985%0.84578%0.782SS**  trans165.9112.8160.700000118.1
486S37.3Very low42.8Very low116 Ų116133.1 Ų133.181%0.81177%0.774SS**  trans-99163171.465.80000110.5
487P43.8Very low44.6Very low110 Ų110129.3 Ų129.371%0.71476%0.758SS**  cis-149.9152.948.841-19.6000120.7
488Q35.7Very low46.4Very low180 Ų180127 Ų12784%0.84175%0.747SS**  trans26.6121.3142.6-65178.6-86.400124.1
489V44.1Very low48.5Very low109 Ų109123.1 Ų123.166%0.66173%0.732SS**  68.3114.9125.6-1770000120.5E491V489-E491 HydrophobicContact CG1-CG 4.31Å
490L40.6Very low50.6Low161 Ų161124.4 Ų124.484%0.84372%0.719SS**  -133.8157.5122.8-79.7-177.2000109.1
491E51.1Low53.2Low186 Ų186126.1 Ų126.187%0.86970%0.702SS**  trans-104.7102.1-170.5-62.4165.313400111V489V489-E491 HydrophobicContact CG1-CG 4.31Å
492E48.6Very low55.5Low161 Ų161126.5 Ų126.575%0.75269%0.687SS**  trans-125.3-22.4178.3-62-169.5143.400114E494E492-E494 PolarHBondContact O-N 2.72Å
493D59.8Low57Low129 Ų129126 Ų12669%0.6968%0.678SS**Hα-helixtrans-64.7-36.5-169.7-63-41.6000115.7A495 L497D493-A495 VanDerWaalsContact C-N 3.33Å; D493-A495 PolarHBondContact O-N 3.44Å; D493-L497 WeakPolarHBondContact O-CB 3.4Å; D493-L497 WeakPolarHBondContact O-CG 3.46Å; D493-L497 PolarHBondContact O-N 2.76Å; D493-L497 VanDerWaalsContact O-N 3.16Å
494E65.6Low59.3Low174 Ų174122.7 Ų122.781%0.81366%0.663SS**Hα-helixtrans-66.3-33.8-172.7-69-155.5135.100113E492 E498E492-E494 PolarHBondContact O-N 2.72Å; E494-E498 PolarHBondContact O-N 3.04Å; E494-E498 VanDerWaalsContact O-N 3.08Å
495A57.2Low61.1Low76 Ų76123.6 Ų123.663%0.62865%0.654SS**Hα-helixtrans-71.7-40.7-177.800000112.2D493 E498 L499D493-A495 VanDerWaalsContact C-N 3.33Å; D493-A495 PolarHBondContact O-N 3.44Å; A495-E498 PolarHBondContact O-N 3.36Å; A495-L499 PolarHBondContact O-N 3.41Å; A495-L499 VanDerWaalsContact O-N 3.16Å
496E68.6Low63.5Low142 Ų142121.7 Ų121.766%0.66463%0.634SS**Hα-helixtrans-70.8-37.8177.2-169.8160.7-138.900111.1E498 L499 Q500E496-E498 VanDerWaalsContact C-N 3.35Å; E496-E498 PolarHBondContact O-N 2.93Å; E496-L499 PolarHBondContact O-N 3.43Å; E496-Q500 WeakPolarHBondContact O-CB 3.36Å; E496-Q500 PolarHBondContact O-N 3.04Å
497L71.6Confident65.6Low90 Ų90124.5 Ų124.547%0.47163%0.627SS.*Hα-helixtrans-63.9-33.6174-73.1172.4000113.5D493 K501D493-L497 WeakPolarHBondContact O-CB 3.4Å; D493-L497 WeakPolarHBondContact O-CG 3.46Å; D493-L497 PolarHBondContact O-N 2.76Å; D493-L497 VanDerWaalsContact O-N 3.16Å; L497-K501 WeakPolarHBondContact O-CB 3.2Å; L497-K501 WeakPolarHBondContact O-CD 3.18Å; L497-K501 WeakPolarHBondContact O-CG 3.27Å; L497-K501 PolarHBondContact O-N 3.21Å; L497-K501 VanDerWaalsContact O-N 3.14Å
498E74.6Confident67.3Low116 Ų116128.1 Ų128.154%0.54263%0.626SS.*Hα-helixtrans-70.8-45.3172.6-157.4-167.5160.700111.5E494 A495 E496 Q500 K501 Q502E494-E498 PolarHBondContact O-N 3.04Å; E494-E498 VanDerWaalsContact O-N 3.08Å; A495-E498 PolarHBondContact O-N 3.36Å; E496-E498 VanDerWaalsContact C-N 3.35Å; E496-E498 PolarHBondContact O-N 2.93Å; E498-Q500 VanDerWaalsContact C-N 3.29Å; E498-Q500 PolarHBondContact O-N 2.85Å; E498-K501 PolarHBondContact O-N 3.12Å; E498-K501 VanDerWaalsContact O-N 3.17Å; E498-Q502 WeakPolarHBondContact O-CG 3.48Å; E498-Q502 PolarHBondContact O-N 3.43Å; E498-Q502 PolarHBondContact OE1-NE2 3.46Å
499L75.5Confident69.2Low97 Ų97125.4 Ų125.451%0.50862%0.617SS.*Hα-helixtrans-57.2-43.6176.4-179.861.7000111.5A495 E496 Q502 L503A495-L499 PolarHBondContact O-N 3.41Å; A495-L499 VanDerWaalsContact O-N 3.16Å; E496-L499 PolarHBondContact O-N 3.43Å; L499-Q502 PolarHBondContact O-N 3.26Å; L499-L503 HydrophobicContact CG-CD1 4.41Å; L499-L503 WeakPolarHBondContact O-CG 3.49Å; L499-L503 PolarHBondContact O-N 3.31Å
500Q75.4Confident70.9Confident100 Ų100129 Ų12947%0.46762%0.619SS.*Hα-helixtrans-62.1-45.8176.3-170.6170.4-3.300111.6E496 E498 Q502 L503 E504E496-Q500 WeakPolarHBondContact O-CB 3.36Å; E496-Q500 PolarHBondContact O-N 3.04Å; E498-Q500 VanDerWaalsContact C-N 3.29Å; E498-Q500 PolarHBondContact O-N 2.85Å; Q500-Q502 VanDerWaalsContact C-N 3.3Å; Q500-Q502 PolarHBondContact O-N 2.86Å; Q500-L503 PolarHBondContact O-N 2.8Å; Q500-E504 WeakPolarHBondContact O-CG 3.3Å; Q500-E504 PolarHBondContact O-N 2.94Å
501K82.2Confident72.5Confident119 Ų119127.1 Ų127.152%0.51761%0.606SS.*Hα-helixtrans-61.6-34.1173.9-77.1167.2-177.3160.10113L497 E498 K505L497-K501 WeakPolarHBondContact O-CB 3.2Å; L497-K501 WeakPolarHBondContact O-CD 3.18Å; L497-K501 WeakPolarHBondContact O-CG 3.27Å; L497-K501 PolarHBondContact O-N 3.21Å; L497-K501 VanDerWaalsContact O-N 3.14Å; E498-K501 PolarHBondContact O-N 3.12Å; E498-K501 VanDerWaalsContact O-N 3.17Å; K501-K505 WeakPolarHBondContact O-CD 3.23Å; K501-K505 VanDerWaalsContact O-CG 3.25Å; K501-K505 WeakPolarHBondContact O-CG 3.38Å; K501-K505 PolarHBondContact O-N 3.26Å; K501-K505 VanDerWaalsContact O-N 3.08Å
502Q80.2Confident73.8Confident105 Ų105123.4 Ų123.449%0.49159%0.591SS.*Hα-helixtrans-70.6-42175.3-68.9-17620.900111.5E498 L499 Q500 K505 G506E498-Q502 WeakPolarHBondContact O-CG 3.48Å; E498-Q502 PolarHBondContact O-N 3.43Å; E498-Q502 PolarHBondContact OE1-NE2 3.46Å; L499-Q502 PolarHBondContact O-N 3.26Å; Q500-Q502 VanDerWaalsContact C-N 3.3Å; Q500-Q502 PolarHBondContact O-N 2.86Å; Q502-K505 PolarHBondContact O-N 3.2Å; Q502-G506 PolarHBondContact O-N 2.84Å
503L77.4Confident75.1Confident98 Ų98121.3 Ų121.351%0.51358%0.582SS.*Hα-helixtrans-64.3-39.1174.2-70.6173.6000112.5L499 Q500 G506 R507L499-L503 HydrophobicContact CG-CD1 4.41Å; L499-L503 WeakPolarHBondContact O-CG 3.49Å; L499-L503 PolarHBondContact O-N 3.31Å; Q500-L503 PolarHBondContact O-N 2.8Å; L503-G506 PolarHBondContact O-N 2.82Å; L503-R507 WeakPolarHBondContact O-CG 3.21Å; L503-R507 PolarHBondContact O-N 3.47Å
504E78.8Confident75.9Confident104 Ų104120.6 Ų120.649%0.48657%0.574SS.*Hα-helixtrans-64-44.5173.9-76.3179-178.400112.4Q500 G506 R507 R508Q500-E504 WeakPolarHBondContact O-CG 3.3Å; Q500-E504 PolarHBondContact O-N 2.94Å; E504-G506 VanDerWaalsContact C-N 3.29Å; E504-G506 PolarHBondContact O-N 3.48Å; E504-R507 PolarHBondContact O-N 3.16Å; E504-R508 WeakPolarHBondContact O-CB 3.38Å; E504-R508 PolarHBondContact O-N 3.21Å
505K84.1Confident76.3Confident141 Ų141117.7 Ų117.761%0.61356%0.563SS**Hα-helixtrans-57.6-42.6172.8-74.3166.5-176.5173.50111.3K501 Q502 R508 L509K501-K505 WeakPolarHBondContact O-CD 3.23Å; K501-K505 VanDerWaalsContact O-CG 3.25Å; K501-K505 WeakPolarHBondContact O-CG 3.38Å; K501-K505 PolarHBondContact O-N 3.26Å; K501-K505 VanDerWaalsContact O-N 3.08Å; Q502-K505 PolarHBondContact O-N 3.2Å; K505-R508 PolarHBondContact O-N 3.27Å; K505-L509 WeakPolarHBondContact O-CB 3.29Å; K505-L509 PolarHBondContact O-N 2.78Å
506G82Confident77Confident41 Ų41119.8 Ų119.842%0.42356%0.56SS.*Hα-helixtrans-62.3-45.4174.800000113.5Q502 L503 E504 R510Q502-G506 PolarHBondContact O-N 2.84Å; L503-G506 PolarHBondContact O-N 2.82Å; E504-G506 VanDerWaalsContact C-N 3.29Å; E504-G506 PolarHBondContact O-N 3.48Å; G506-R510 PolarHBondContact O-N 3.18Å
507R81.5Confident77Confident175 Ų175118.8 Ų118.866%0.6656%0.556SS**Hα-helixtrans-61.7-43.6175.2-71.9172.2-177.3-171.52.3111.7L503 E504 R510 Q511L503-R507 WeakPolarHBondContact O-CG 3.21Å; L503-R507 PolarHBondContact O-N 3.47Å; E504-R507 PolarHBondContact O-N 3.16Å; R507-R510 PolarHBondContact O-N 2.81Å; R507-Q511 PolarHBondContact O-N 3.19Å
508R78.4Confident76.9Confident186 Ų186119.3 Ų119.370%0.70256%0.558SS**Hα-helixtrans-69.7-37.3-178.5-158.1169.7-170.3155.81.5112.5E504 K505 Q511 L512E504-R508 WeakPolarHBondContact O-CB 3.38Å; E504-R508 PolarHBondContact O-N 3.21Å; K505-R508 PolarHBondContact O-N 3.27Å; R508-Q511 PolarHBondContact O-N 2.94Å; R508-L512 WeakPolarHBondContact O-CG 3.14Å; R508-L512 PolarHBondContact O-N 2.8Å
509L76.1Confident76.7Confident124 Ų124121.8 Ų121.865%0.64956%0.563SS**Hα-helixtrans-61.9-43.2169.1-96.5165.6000112K505 L512 Q513K505-L509 WeakPolarHBondContact O-CB 3.29Å; K505-L509 PolarHBondContact O-N 2.78Å; L509-L512 PolarHBondContact O-N 3.15Å; L509-Q513 WeakPolarHBondContact O-CB 3.45Å; L509-Q513 PolarHBondContact O-N 2.88Å
510R79.6Confident76.3Confident185 Ų185120.7 Ų120.770%0.69856%0.557SS**Hα-helixtrans-64.6-39.6177-167.2179.6-177.9-151.7-0.4112.3G506 R507 Q513 Q514G506-R510 PolarHBondContact O-N 3.18Å; R507-R510 PolarHBondContact O-N 2.81Å; R510-Q513 PolarHBondContact O-N 3.4Å; R510-Q514 WeakPolarHBondContact O-CB 3.49Å; R510-Q514 PolarHBondContact O-N 3.5Å
511Q74.2Confident76Confident121 Ų121118.6 Ų118.657%0.56555%0.554SS**Hα-helixtrans-63.6-44.3173-76.3175.7-33.500112.1R507 R508 Q513 Q514 L515R507-Q511 PolarHBondContact O-N 3.19Å; R508-Q511 PolarHBondContact O-N 2.94Å; Q511-Q513 PolarHBondContact O-N 3.44Å; Q511-Q514 PolarHBondContact O-N 3.31Å; Q511-L515 WeakPolarHBondContact O-CB 3.47Å; Q511-L515 WeakPolarHBondContact O-CG 3.47Å; Q511-L515 PolarHBondContact O-N 2.88Å
512L78.7Confident75.5Confident107 Ų107114.4 Ų114.456%0.5654%0.544SS*.Hα-helixtrans-62.2-42.1175.5-76.6167.3000112R508 L509 Q514 L515 Q516R508-L512 WeakPolarHBondContact O-CG 3.14Å; R508-L512 PolarHBondContact O-N 2.8Å; L509-L512 PolarHBondContact O-N 3.15Å; L512-Q514 VanDerWaalsContact C-N 3.34Å; L512-Q514 PolarHBondContact O-N 3.38Å; L512-L515 PolarHBondContact O-N 3.21Å; L512-Q516 WeakPolarHBondContact O-CB 3.42Å; L512-Q516 PolarHBondContact O-N 2.74Å
513Q76Confident75Confident118 Ų118114.6 Ų114.655%0.55155%0.545SS*.Hα-helixtrans-63.8-38.6175-170.8176.338.200112.1L509 R510 Q511 Q516 Q517L509-Q513 WeakPolarHBondContact O-CB 3.45Å; L509-Q513 PolarHBondContact O-N 2.88Å; R510-Q513 PolarHBondContact O-N 3.4Å; Q511-Q513 PolarHBondContact O-N 3.44Å; Q513-Q516 PolarHBondContact O-N 3.45Å; Q513-Q517 WeakPolarHBondContact O-CG 3.44Å; Q513-Q517 PolarHBondContact O-N 3.27Å
514Q76.1Confident74.5Confident114 Ų114116.6 Ų116.653%0.53355%0.55SS..Hα-helixtrans-68.9-40.9176.1-172.6171.7-1.100112R510 Q511 L512 Q516 Q517 L518R510-Q514 WeakPolarHBondContact O-CB 3.49Å; R510-Q514 PolarHBondContact O-N 3.5Å; Q511-Q514 PolarHBondContact O-N 3.31Å; L512-Q514 VanDerWaalsContact C-N 3.34Å; L512-Q514 PolarHBondContact O-N 3.38Å; Q514-Q516 VanDerWaalsContact C-N 3.33Å; Q514-Q517 PolarHBondContact O-N 2.75Å; Q514-L518 HydrophobicContact CG-CD1 4.43Å; Q514-L518 WeakPolarHBondContact O-CB 3.02Å; Q514-L518 VanDerWaalsContact O-CG 3.29Å; Q514-L518 WeakPolarHBondContact O-CG 3.23Å; Q514-L518 PolarHBondContact O-N 3.27Å
515L74.3Confident74Confident112 Ų112115.8 Ų115.859%0.58655%0.552SS**Hα-helixtrans-63.8-37.9173.3-74.1168.4000111.9Q511 L512 L518 R519Q511-L515 WeakPolarHBondContact O-CB 3.47Å; Q511-L515 WeakPolarHBondContact O-CG 3.47Å; Q511-L515 PolarHBondContact O-N 2.88Å; L512-L515 PolarHBondContact O-N 3.21Å; L515-L518 PolarHBondContact O-N 3.07Å; L515-R519 WeakPolarHBondContact O-CB 3.12Å; L515-R519 PolarHBondContact O-N 3.37Å
516Q71.1Confident73.3Confident121 Ų121113.6 Ų113.657%0.56555%0.55SS**Hα-helixtrans-66.8-44.9174.4-171.4168.3700111.5L512 Q513 Q514 L518 R519 D520L512-Q516 WeakPolarHBondContact O-CB 3.42Å; L512-Q516 PolarHBondContact O-N 2.74Å; Q513-Q516 PolarHBondContact O-N 3.45Å; Q514-Q516 VanDerWaalsContact C-N 3.33Å; Q516-L518 VanDerWaalsContact C-N 3.28Å; Q516-L518 PolarHBondContact O-N 3.13Å; Q516-R519 WeakPolarHBondContact O-CB 3.28Å; Q516-R519 PolarHBondContact O-N 2.95Å; Q516-R519 VanDerWaalsContact O-N 3.09Å; Q516-D520 WeakPolarHBondContact O-CB 3.36Å; Q516-D520 PolarHBondContact O-N 3.3Å
517Q69.8Low72.7Confident121 Ų121116.9 Ų116.957%0.56556%0.555SS**Hα-helixtrans-60.6-36173.6-74.2174.8-1.200112.7Q513 Q514 S521Q513-Q517 WeakPolarHBondContact O-CG 3.44Å; Q513-Q517 PolarHBondContact O-N 3.27Å; Q514-Q517 PolarHBondContact O-N 2.75Å; Q517-S521 WeakPolarHBondContact O-CB 3.32Å; Q517-S521 PolarHBondContact O-N 3.33Å; Q517-S521 PolarHBondContact O-OG 3.4Å
518L69.1Low72.1Confident101 Ų101113.6 Ų113.653%0.52955%0.549SS..Hα-helixtrans-66.2-41.9172.7-73.5167.4000111.4Q514 L515 Q516 S521 G522Q514-L518 HydrophobicContact CG-CD1 4.43Å; Q514-L518 WeakPolarHBondContact O-CB 3.02Å; Q514-L518 VanDerWaalsContact O-CG 3.29Å; Q514-L518 WeakPolarHBondContact O-CG 3.23Å; Q514-L518 PolarHBondContact O-N 3.27Å; L515-L518 PolarHBondContact O-N 3.07Å; Q516-L518 VanDerWaalsContact C-N 3.28Å; Q516-L518 PolarHBondContact O-N 3.13Å; L518-S521 PolarHBondContact O-N 2.86Å; L518-S521 PolarHBondContact O-OG 3.05Å; L518-G522 PolarHBondContact O-N 3.45Å
519R70.1Confident71.9Confident168 Ų168108.4 Ų108.463%0.63454%0.538SS*.Hα-helixtrans-61.8-49.9175.2-154-179.1-153.2-87.38.3112L515 Q516 S521 G522 E523L515-R519 WeakPolarHBondContact O-CB 3.12Å; L515-R519 PolarHBondContact O-N 3.37Å; Q516-R519 WeakPolarHBondContact O-CB 3.28Å; Q516-R519 PolarHBondContact O-N 2.95Å; Q516-R519 VanDerWaalsContact O-N 3.09Å; R519-S521 PolarHBondContact O-N 3.15Å; R519-G522 PolarHBondContact O-N 3.49Å; R519-G522 VanDerWaalsContact O-N 3.09Å; R519-E523 IonicContact NH1-OE1 3.82Å; R519-E523 PolarHBondContact NH1-OE1 3.28Å; R519-E523 PolarHBondContact O-N 3.36Å
520D68.3Low71.7Confident73 Ų73109 Ų10939%0.3954%0.535SS..Hα-helixtrans-62.9-24.5177.3-61.5-9.5000112.6Q516 K524Q516-D520 WeakPolarHBondContact O-CB 3.36Å; Q516-D520 PolarHBondContact O-N 3.3Å; D520-K524 WeakPolarHBondContact O-CD 3.43Å; D520-K524 WeakPolarHBondContact O-CG 3.13Å
521S68.7Low71.3Confident57 Ų57106.4 Ų106.440%0.39953%0.529SS..Hα-helixtrans-82.9-38.8172.279.20000112.4Q517 L518 R519 K524 V525Q517-S521 WeakPolarHBondContact O-CB 3.32Å; Q517-S521 PolarHBondContact O-N 3.33Å; Q517-S521 PolarHBondContact O-OG 3.4Å; L518-S521 PolarHBondContact O-N 2.86Å; L518-S521 PolarHBondContact O-OG 3.05Å; R519-S521 PolarHBondContact O-N 3.15Å; S521-K524 PolarHBondContact O-N 3.07Å; S521-V525 WeakPolarHBondContact O-CG2 3.33Å; S521-V525 PolarHBondContact O-N 2.75Å
522G70.6Confident70.7Confident31 Ų31105.4 Ų105.432%0.3253%0.527SS..Hα-helixtrans-62.8-43.9175.700000112L518 R519 K524 V525 V526L518-G522 PolarHBondContact O-N 3.45Å; R519-G522 PolarHBondContact O-N 3.49Å; R519-G522 VanDerWaalsContact O-N 3.09Å; G522-K524 VanDerWaalsContact C-N 3.27Å; G522-K524 PolarHBondContact O-N 3.25Å; G522-V525 PolarHBondContact O-N 3.24Å; G522-V525 VanDerWaalsContact O-N 3.12Å; G522-V526 WeakPolarHBondContact O-CG2 3.4Å; G522-V526 PolarHBondContact O-N 2.83Å
523E71.1Confident69.7Low109 Ų109106 Ų10651%0.50953%0.526SS..Hα-helixtrans-61.4-35.7176.9-69.8176.6-161.700111.7R519 E527R519-E523 IonicContact NH1-OE1 3.82Å; R519-E523 PolarHBondContact NH1-OE1 3.28Å; R519-E523 PolarHBondContact O-N 3.36Å; E523-E527 PolarHBondContact O-N 3.08Å
524K66.9Low68.8Low139 Ų139104.9 Ų104.960%0.60453%0.532SS*.Hα-helixtrans-70.7-38.2172.4-73.6169.6-175.6157.50113.4D520 S521 G522 E527 I528D520-K524 WeakPolarHBondContact O-CD 3.43Å; D520-K524 WeakPolarHBondContact O-CG 3.13Å; S521-K524 PolarHBondContact O-N 3.07Å; G522-K524 VanDerWaalsContact C-N 3.27Å; G522-K524 PolarHBondContact O-N 3.25Å; K524-E527 PolarHBondContact O-N 3.47Å; K524-I528 VanDerWaalsContact O-CG1 3.3Å; K524-I528 WeakPolarHBondContact O-CG1 3.11Å; K524-I528 PolarHBondContact O-N 3.37Å
525V67.8Low67.6Low88 Ų88109.9 Ų109.953%0.53355%0.546SS..Hα-helixtrans-64-43.3174.2171.10000110.2S521 G522 E527 I528 V529S521-V525 WeakPolarHBondContact O-CG2 3.33Å; S521-V525 PolarHBondContact O-N 2.75Å; G522-V525 PolarHBondContact O-N 3.24Å; G522-V525 VanDerWaalsContact O-N 3.12Å; V525-E527 VanDerWaalsContact C-N 3.35Å; V525-E527 PolarHBondContact O-N 2.81Å; V525-I528 PolarHBondContact O-N 2.66Å; V525-V529 HydrophobicContact CG1-CG2 4.29Å; V525-V529 WeakPolarHBondContact O-CG2 3.24Å; V525-V529 PolarHBondContact O-N 3.02Å
526V70.1Confident66.2Low95 Ų95112.1 Ų112.158%0.57655%0.553SS**Hα-helixtrans-60.3-42174.6171.20000111.4G522 I528 V529 K530G522-V526 WeakPolarHBondContact O-CG2 3.4Å; G522-V526 PolarHBondContact O-N 2.83Å; V526-I528 VanDerWaalsContact C-N 3.34Å; V526-I528 PolarHBondContact O-N 3.21Å; V526-V529 PolarHBondContact O-N 3.25Å; V526-K530 VanDerWaalsContact O-CB 3.32Å; V526-K530 WeakPolarHBondContact O-CB 3.41Å; V526-K530 PolarHBondContact O-N 3.21Å
527E68Low65Low110 Ų110117.6 Ų117.651%0.51457%0.569SS.*Hα-helixtrans-65.2-36176.7-153.6-156.7151.500112.9E523 K524 V525 K531E523-E527 PolarHBondContact O-N 3.08Å; K524-E527 PolarHBondContact O-N 3.47Å; V525-E527 VanDerWaalsContact C-N 3.35Å; V525-E527 PolarHBondContact O-N 2.81Å; E527-K531 PolarHBondContact O-N 2.99Å; E527-K531 IonicContact OE1-NZ 2.83Å; E527-K531 PolarHBondContact OE1-NZ 3.46Å
528I69.8Low64Low105 Ų105114 Ų11454%0.53856%0.564SS.*Hα-helixtrans-69.8-45.8175.7-69.8165.1000111K524 V525 V526 K530 K531 L532K524-I528 VanDerWaalsContact O-CG1 3.3Å; K524-I528 WeakPolarHBondContact O-CG1 3.11Å; K524-I528 PolarHBondContact O-N 3.37Å; V525-I528 PolarHBondContact O-N 2.66Å; V526-I528 VanDerWaalsContact C-N 3.34Å; V526-I528 PolarHBondContact O-N 3.21Å; I528-K530 VanDerWaalsContact C-N 3.34Å; I528-K530 PolarHBondContact O-N 2.87Å; I528-K531 PolarHBondContact O-N 2.78Å; I528-L532 HydrophobicContact CG2-CD1 4.29Å; I528-L532 PolarHBondContact O-N 2.83Å
529V72.8Confident62.5Low77 Ų77121.4 Ų121.447%0.46759%0.585SS.*Hα-helixtrans-58.5-47175.8168.80000110.2V525 V526 K531 L532 E533V525-V529 HydrophobicContact CG1-CG2 4.29Å; V525-V529 WeakPolarHBondContact O-CG2 3.24Å; V525-V529 PolarHBondContact O-N 3.02Å; V526-V529 PolarHBondContact O-N 3.25Å; V529-K531 VanDerWaalsContact C-N 3.26Å; V529-K531 PolarHBondContact O-N 3.36Å; V529-L532 CarbonylContact O-C 3.51Å; V529-L532 WeakPolarHBondContact O-CA 3.36Å; V529-L532 WeakPolarHBondContact O-CB 3.43Å; V529-L532 PolarHBondContact O-N 2.96Å; V529-E533 VanDerWaalsContact O-CB 3.32Å; V529-E533 WeakPolarHBondContact O-CB 3.22Å; V529-E533 PolarHBondContact O-N 2.88Å
530K73.3Confident60.8Low137 Ų137122.9 Ų122.960%0.59660%0.599SS**Hα-helixtrans-63.3-30.1179.9-153.9163.3-171.3164.90113.1V526 I528 S534V526-K530 VanDerWaalsContact O-CB 3.32Å; V526-K530 WeakPolarHBondContact O-CB 3.41Å; V526-K530 PolarHBondContact O-N 3.21Å; I528-K530 VanDerWaalsContact C-N 3.34Å; I528-K530 PolarHBondContact O-N 2.87Å; K530-S534 VanDerWaalsContact O-CB 3.3Å; K530-S534 WeakPolarHBondContact O-CB 3.47Å; K530-S534 PolarHBondContact O-N 3.27Å; K530-S534 VanDerWaalsContact O-N 3.08Å; K530-S534 PolarHBondContact O-OG 3.05Å
531K69.9Low59.6Low130 Ų130128.5 Ų128.557%0.56562%0.623SS**Hα-helixtrans-74.7-30.2171.3-90.3165.7176149.50113.6E527 I528 V529 R535E527-K531 PolarHBondContact O-N 2.99Å; E527-K531 IonicContact OE1-NZ 2.83Å; E527-K531 PolarHBondContact OE1-NZ 3.46Å; I528-K531 PolarHBondContact O-N 2.78Å; V529-K531 VanDerWaalsContact C-N 3.26Å; V529-K531 PolarHBondContact O-N 3.36Å; K531-R535 WeakPolarHBondContact O-CB 3.39Å
532L61.9Low58Low100 Ų100133.8 Ų133.852%0.52465%0.647SS.*Hα-helixtrans-73.5-48.8171.7-86.4159.4000111.3I528 V529 S534 R535 Q536I528-L532 HydrophobicContact CG2-CD1 4.29Å; I528-L532 PolarHBondContact O-N 2.83Å; V529-L532 CarbonylContact O-C 3.51Å; V529-L532 WeakPolarHBondContact O-CA 3.36Å; V529-L532 WeakPolarHBondContact O-CB 3.43Å; V529-L532 PolarHBondContact O-N 2.96Å; L532-S534 VanDerWaalsContact C-N 3.34Å; L532-S534 PolarHBondContact O-N 3.5Å; L532-R535 CarbonylContact O-C 3.54Å; L532-R535 WeakPolarHBondContact O-CA 3.44Å; L532-R535 WeakPolarHBondContact O-CB 3.3Å; L532-R535 PolarHBondContact O-N 2.84Å; L532-Q536 WeakPolarHBondContact O-CB 3.3Å; L532-Q536 PolarHBondContact O-N 3.49Å
533E59.3Low56.5Low119 Ų119140.5 Ų140.556%0.55667%0.67SS**Hα-helixtrans-55.1-46176.3-171.7176.7-125.700111.6V529 R535 Q536 R537V529-E533 VanDerWaalsContact O-CB 3.32Å; V529-E533 WeakPolarHBondContact O-CB 3.22Å; V529-E533 PolarHBondContact O-N 2.88Å; E533-R535 PolarHBondContact O-N 3.26Å; E533-R535 VanDerWaalsContact O-N 3.15Å; E533-Q536 PolarHBondContact O-N 2.81Å; E533-R537 PolarHBondContact O-N 3.21Å; E533-R537 VanDerWaalsContact O-N 3.11Å
534S56.1Low55.3Low95 Ų95139.7 Ų139.766%0.66467%0.669SS**Hα-helixtrans-62.6-17.5173.1-59.40000114.6K530 L532K530-S534 VanDerWaalsContact O-CB 3.3Å; K530-S534 WeakPolarHBondContact O-CB 3.47Å; K530-S534 PolarHBondContact O-N 3.27Å; K530-S534 VanDerWaalsContact O-N 3.08Å; K530-S534 PolarHBondContact O-OG 3.05Å; L532-S534 VanDerWaalsContact C-N 3.34Å; L532-S534 PolarHBondContact O-N 3.5Å
535R50.3Low54.6Low220 Ų220137.5 Ų137.583%0.8367%0.669SS**Hα-helixtrans-105-20.5-178.4-166.5177.5-175-148.9-0.9112.9K531 L532 E533K531-R535 WeakPolarHBondContact O-CB 3.39Å; L532-R535 CarbonylContact O-C 3.54Å; L532-R535 WeakPolarHBondContact O-CA 3.44Å; L532-R535 WeakPolarHBondContact O-CB 3.3Å; L532-R535 PolarHBondContact O-N 2.84Å; E533-R535 PolarHBondContact O-N 3.26Å; E533-R535 VanDerWaalsContact O-N 3.15Å
536Q45.9Very low53.9Low159 Ų159142 Ų14274%0.74368%0.684SS**Hα-helixtrans-91.2-17176.9-170.3166.9-14.900112.1L532 E533 G538L532-Q536 WeakPolarHBondContact O-CB 3.3Å; L532-Q536 PolarHBondContact O-N 3.49Å; E533-Q536 PolarHBondContact O-N 2.81Å; Q536-G538 PolarHBondContact O-N 3Å
537R45.4Very low53.1Low236 Ų236146.5 Ų146.589%0.89169%0.691SS**SBendtrans-80.555.7175.7-153.3175.7-159.2-144.93.3113.6E533E533-R537 PolarHBondContact O-N 3.21Å; E533-R537 VanDerWaalsContact O-N 3.11Å
538G47.9Very low52.3Low44 Ų44149.6 Ų149.645%0.45470%0.703SS.*SBendtrans-159.4140.7169.400000108.9Q536Q536-G538 PolarHBondContact O-N 3Å
539W38.6Very low51.5Low257 Ų257148.1 Ų148.197%0.97371%0.713SS**SBendtrans79.2138.8-162.4-52.196.4000114.5
540E33.4Very low51.3Low199 Ų199147.7 Ų147.793%0.9372%0.718SS**  trans67.8145.3178.5-65.1175.2164.900117
541E43.3Very low51.3Low192 Ų192147.7 Ų147.790%0.89772%0.723SS**  trans-118.7130.1-165.8-66.1170.4109.900109.6
542D36.9Very low51.6Low167 Ų167147.4 Ų147.489%0.89373%0.731SS**  trans-107.5123.1162.6-80.1-55.6000108.6D544D542-D544 PolarHBondContact O-N 3.14Å
543E38.9Very low52.2Low173 Ų173149.2 Ų149.281%0.80874%0.736SS**  trans-74.892.6174.9-79.9-152.6121.300111.3P545E543-P545 VanDerWaalsContact O-CD 3.3Å; E543-P545 WeakPolarHBondContact O-CD 3.44Å
544D44.3Very low53.2Low92 Ų92147.7 Ų147.749%0.49273%0.731SS.*  trans-65.6108.9171.6-169.9-0.3000110.8D542 E546 R547D542-D544 PolarHBondContact O-N 3.14Å; D544-E546 PolarHBondContact O-N 3.09Å; D544-E546 VanDerWaalsContact O-N 3.12Å; D544-R547 PolarHBondContact O-N 3.11Å; D544-R547 VanDerWaalsContact O-N 3.14Å
545P52.8Low54.4Low93 Ų93147 Ų14760%0.60473%0.731SS**G310 helixtrans-67-19.4-165.826.3-34.9000113.8E543 R547E543-P545 VanDerWaalsContact O-CD 3.3Å; E543-P545 WeakPolarHBondContact O-CD 3.44Å; P545-R547 PolarHBondContact O-N 3.25Å
546E53.5Low55.6Low181 Ų181140.9 Ų140.985%0.84672%0.718SS**G310 helixtrans-69.4-10.9177.3-60.5-165.1160.400113.3D544D544-E546 PolarHBondContact O-N 3.09Å; D544-E546 VanDerWaalsContact O-N 3.12Å
547R53Low57Low190 Ų190135.5 Ų135.572%0.71770%0.698SS**G310 helixtrans-84.8-1.2179.1-71.7-171.1170.5-154.4-4115.6D544 P545 G549 A550D544-R547 PolarHBondContact O-N 3.11Å; D544-R547 VanDerWaalsContact O-N 3.14Å; P545-R547 PolarHBondContact O-N 3.25Å; R547-G549 PolarHBondContact O-N 3.41Å; R547-A550 PolarHBondContact O-N 3.13Å
548K51.4Low58.7Low176 Ų176128.8 Ų128.877%0.76568%0.677SS**THydrogen-bonded Turntrans-65.83.6-174.4-69.7-171.5175.2-172.70116.2
549G52.3Low60.3Low74 Ų74132.6 Ų132.676%0.76368%0.681SS**THydrogen-bonded Turntrans-106.3-3.6168.700000116.3R547 I551R547-G549 PolarHBondContact O-N 3.41Å; G549-I551 PolarHBondContact O-N 2.67Å
550A68.3Low62Low68 Ų68123.6 Ų123.656%0.56266%0.657SS**  trans-82.5116.2-170.700000113.5R547 V552R547-A550 PolarHBondContact O-N 3.13Å; A550-V552 PolarHBondContact O-N 3.16Å
551I74.7Confident63.9Low137 Ų137121.1 Ų121.170%0.70364%0.639SS**  trans-75.4105.5174.1-58.1175.8000109.8G549 F553G549-I551 PolarHBondContact O-N 2.67Å; I551-F553 HydrophobicContact CB-CE2 4.15Å; I551-F553 HydrophobicContact CG2-CD2 4.04Å; I551-F553 HydrophobicContact CG2-CE1 4.3Å; I551-F553 HydrophobicContact CG2-CE2 3.59Å; I551-F553 HydrophobicContact CG2-CZ 3.74Å; I551-F553 PolarHBondContact O-N 2.93Å
552V74.7Confident65.4Low123 Ų123117.2 Ų117.275%0.74563%0.629SS**  trans-83.9105.2175.1-177.70000110.3A550A550-V552 PolarHBondContact O-N 3.16Å
553F74.9Confident67.2Low139 Ų139115 Ų11561%0.6162%0.616SS**  trans-78.7117.4171.7-68-87.1000110.4I551 E558I551-F553 HydrophobicContact CB-CE2 4.15Å; I551-F553 HydrophobicContact CG2-CD2 4.04Å; I551-F553 HydrophobicContact CG2-CE1 4.3Å; I551-F553 HydrophobicContact CG2-CE2 3.59Å; I551-F553 HydrophobicContact CG2-CZ 3.74Å; I551-F553 PolarHBondContact O-N 2.93Å; F553-E558 HydrophobicContact CD1-CG 4.34Å; F553-E558 WeakPolarHBondContact CD1-OE1 3.43Å
554N80.6Confident68.5Low86 Ų86109 Ų10946%0.4660%0.601SS.*  trans-115.9131173.7-179.5-21.7000108.3T556 S557 E558N554-T556 PolarHBondContact O-N 2.87Å; N554-T556 VanDerWaalsContact O-N 3.1Å; N554-T556 PolarHBondContact OD1-N 3.39Å; N554-T556 PolarHBondContact OD1-OG1 3.11Å; N554-S557 PolarHBondContact O-N 3.32Å; N554-S557 PolarHBondContact O-OG 3.15Å; N554-E558 PolarHBondContact O-N 2.84Å
555A81.9Confident69.4Low80 Ų80112.3 Ų112.366%0.66161%0.613SS**Hα-helixtrans-53.1-34.5179.500000112.7F559A555-F559 VanDerWaalsContact O-CB 3.24Å; A555-F559 WeakPolarHBondContact O-CB 3.32Å; A555-F559 PolarHBondContact O-N 3.4Å
556T75.3Confident69.7Low93 Ų93114.7 Ų114.757%0.57162%0.619SS**Hα-helixtrans-71-37.3176.6-49.80000112.4N554 C560N554-T556 PolarHBondContact O-N 2.87Å; N554-T556 VanDerWaalsContact O-N 3.1Å; N554-T556 PolarHBondContact OD1-N 3.39Å; N554-T556 PolarHBondContact OD1-OG1 3.11Å; T556-C560 WeakPolarHBondContact O-CB 3.37Å; T556-C560 PolarHBondContact O-N 3.32Å; T556-C560 VanDerWaalsContact O-N 3.09Å; T556-C560 PolarHBondContact O-SG 3.37Å; T556-C560 VanDerWaalsContact O-SG 3.32Å
557S74.9Confident69.9Low46 Ų46111.3 Ų111.332%0.32261%0.613SS.*Hα-helixtrans-74.3-37.2178.263.40000111.8N554 R561N554-S557 PolarHBondContact O-N 3.32Å; N554-S557 PolarHBondContact O-OG 3.15Å; S557-R561 VanDerWaalsContact O-CB 3.27Å; S557-R561 WeakPolarHBondContact O-CB 2.76Å; S557-R561 PolarHBondContact O-N 3.33Å
558E81.2Confident70.1Confident94 Ų94106.3 Ų106.344%0.43960%0.604SS.*Hα-helixtrans-66-44173.2-64.6-149.5115.800112.1F553 N554 C560 R561 T562F553-E558 HydrophobicContact CD1-CG 4.34Å; F553-E558 WeakPolarHBondContact CD1-OE1 3.43Å; N554-E558 PolarHBondContact O-N 2.84Å; E558-C560 PolarHBondContact O-N 3.02Å; E558-R561 WeakPolarHBondContact O-CB 3.38Å; E558-R561 PolarHBondContact O-N 2.79Å; E558-R561 VanDerWaalsContact O-N 3.15Å; E558-T562 PolarHBondContact O-N 2.79Å; E558-T562 VanDerWaalsContact O-N 3.08Å
559F81.2Confident70.5Confident124 Ų124104.2 Ų104.254%0.54459%0.592SS.*Hα-helixtrans-55.6-53.2174.2179.3-114.9000111.3A555 R561 T562 L563A555-F559 VanDerWaalsContact O-CB 3.24Å; A555-F559 WeakPolarHBondContact O-CB 3.32Å; A555-F559 PolarHBondContact O-N 3.4Å; F559-R561 VanDerWaalsContact C-N 3.28Å; F559-R561 PolarHBondContact O-N 3.31Å; F559-T562 PolarHBondContact O-N 3.39Å; F559-T562 PolarHBondContact O-OG1 3.39Å; F559-L563 HydrophobicContact CD1-CD1 4.04Å; F559-L563 HydrophobicContact CE1-CD1 3.65Å; F559-L563 HydrophobicContact CE2-CD1 4.41Å; F559-L563 HydrophobicContact CZ-CD1 3.86Å; F559-L563 HydrophobicContact CZ-CD2 4.47Å; F559-L563 HydrophobicContact CZ-CG 4.48Å; F559-L563 PolarHBondContact O-N 2.94Å
560C74.1Confident70.8Confident69 Ų69104 Ų10447%0.46659%0.59SS.*Hα-helixtrans-60.9-33.6177.1-69.70000113.3T556 E558 T562 L563T556-C560 WeakPolarHBondContact O-CB 3.37Å; T556-C560 PolarHBondContact O-N 3.32Å; T556-C560 VanDerWaalsContact O-N 3.09Å; T556-C560 PolarHBondContact O-SG 3.37Å; T556-C560 VanDerWaalsContact O-SG 3.32Å; E558-C560 PolarHBondContact O-N 3.02Å; C560-T562 VanDerWaalsContact C-N 3.27Å; C560-T562 PolarHBondContact O-N 3.11Å; C560-L563 PolarHBondContact O-N 3.14Å
561R74.7Confident70.5Confident146 Ų146107.6 Ų107.655%0.55160%0.599SS**Hα-helixtrans-67.9-22.9174.7-167177.8-174.1-1743.5113.5S557 E558 F559 Y569S557-R561 VanDerWaalsContact O-CB 3.27Å; S557-R561 WeakPolarHBondContact O-CB 2.76Å; S557-R561 PolarHBondContact O-N 3.33Å; E558-R561 WeakPolarHBondContact O-CB 3.38Å; E558-R561 PolarHBondContact O-N 2.79Å; E558-R561 VanDerWaalsContact O-N 3.15Å; F559-R561 VanDerWaalsContact C-N 3.28Å; F559-R561 PolarHBondContact O-N 3.31Å; R561-Y569 HydrophobicContact CB-CD2 4.44Å; R561-Y569 HydrophobicContact CB-CE2 3.74Å; R561-Y569 HydrophobicContact CG-CD2 4.24Å; R561-Y569 HydrophobicContact CG-CE2 3.86Å
562T74Confident69.9Low111 Ų111105.3 Ų105.368%0.68160%0.6SS**Hα-helixtrans-88-8.5173.862.30000114.7E558 F559 C560E558-T562 PolarHBondContact O-N 2.79Å; E558-T562 VanDerWaalsContact O-N 3.08Å; F559-T562 PolarHBondContact O-N 3.39Å; F559-T562 PolarHBondContact O-OG1 3.39Å; C560-T562 VanDerWaalsContact C-N 3.27Å; C560-T562 PolarHBondContact O-N 3.11Å
563L75.2Confident68.9Low120 Ų120102.9 Ų102.963%0.62860%0.6SS**SBendtrans-92.71.2-176.4-71176.8000114.8F559 C560F559-L563 HydrophobicContact CD1-CD1 4.04Å; F559-L563 HydrophobicContact CE1-CD1 3.65Å; F559-L563 HydrophobicContact CE2-CD1 4.41Å; F559-L563 HydrophobicContact CZ-CD1 3.86Å; F559-L563 HydrophobicContact CZ-CD2 4.47Å; F559-L563 HydrophobicContact CZ-CG 4.48Å; F559-L563 PolarHBondContact O-N 2.94Å; C560-L563 PolarHBondContact O-N 3.14Å
564G66.6Low67.9Low47 Ų47103.5 Ų103.549%0.48561%0.61SS.*SBendtrans-148163.1-177.200000113.7
565E62.8Low66.7Low162 Ų162110.2 Ų110.276%0.75763%0.629SS**  trans-72.3129.7176-64.1-173.9170.400110.9P567 T568E565-P567 VanDerWaalsContact C-N 3.3Å; E565-P567 WeakPolarHBondContact O-CD 3.3Å; E565-T568 PolarHBondContact O-N 3.18Å; E565-T568 VanDerWaalsContact O-N 3.1Å; E565-T568 PolarHBondContact O-OG1 3.41Å; E565-T568 VanDerWaalsContact O-OG1 3.07Å
566I58.8Low64.9Low142 Ų142115.4 Ų115.473%0.72864%0.639SS**G310 helixtrans-48.4-37.1-170.9-61.5171.7000114.9T568 Y569I566-T568 VanDerWaalsContact C-N 3.26Å; I566-T568 PolarHBondContact O-N 3.39Å; I566-Y569 PolarHBondContact O-N 3.15Å
567P56.4Low63Low111 Ų111120.4 Ų120.472%0.72166%0.656SS**G310 helixtrans-60.8-24.2180-26.336.6000115.9E565E565-P567 VanDerWaalsContact C-N 3.3Å; E565-P567 WeakPolarHBondContact O-CD 3.3Å
568T57.2Low61.2Low85 Ų85127.1 Ų127.152%0.52168%0.683SS.*G310 helixtrans-89.5-13.6-176.9610000113.9E565 I566 G570 L571E565-T568 PolarHBondContact O-N 3.18Å; E565-T568 VanDerWaalsContact O-N 3.1Å; E565-T568 PolarHBondContact O-OG1 3.41Å; E565-T568 VanDerWaalsContact O-OG1 3.07Å; I566-T568 VanDerWaalsContact C-N 3.26Å; I566-T568 PolarHBondContact O-N 3.39Å; T568-G570 PolarHBondContact O-N 2.82Å; T568-G570 VanDerWaalsContact O-N 3.08Å; T568-L571 HydrophobicContact CG2-CD1 4.38Å; T568-L571 PolarHBondContact O-N 2.97Å
569Y60Low59.3Low132 Ų132132 Ų13252%0.51871%0.705SS.*THydrogen-bonded Turntrans-62-20.5-174.1-167.3-98.1000114R561 I566R561-Y569 HydrophobicContact CB-CD2 4.44Å; R561-Y569 HydrophobicContact CB-CE2 3.74Å; R561-Y569 HydrophobicContact CG-CD2 4.24Å; R561-Y569 HydrophobicContact CG-CE2 3.86Å; I566-Y569 PolarHBondContact O-N 3.15Å
570G59.8Low57.4Low70 Ų70135.2 Ų135.272%0.72272%0.722SS**THydrogen-bonded Turntrans-95.4-8.3176.100000115.9T568 A572T568-G570 PolarHBondContact O-N 2.82Å; T568-G570 VanDerWaalsContact O-N 3.08Å; G570-A572 VanDerWaalsContact C-N 3.33Å; G570-A572 PolarHBondContact O-N 3.41Å
571L61.2Low55.8Low143 Ų143140.1 Ų140.175%0.74974%0.743SS**THydrogen-bonded Turntrans-82.5-4.3-169.5-66.4175.7000114.8T568 G573T568-L571 HydrophobicContact CG2-CD1 4.38Å; T568-L571 PolarHBondContact O-N 2.97Å; L571-G573 VanDerWaalsContact C-N 3.33Å; L571-G573 PolarHBondContact O-N 2.83Å
572A61.9Low54.1Low88 Ų88141.3 Ų141.373%0.72776%0.756SS**THydrogen-bonded Turntrans-81.4-2.8-171.700000115.1G570 N574G570-A572 VanDerWaalsContact C-N 3.33Å; G570-A572 PolarHBondContact O-N 3.41Å; A572-N574 PolarHBondContact O-N 3.41Å
573G53.2Low52.2Low72 Ų72143.8 Ų143.874%0.74277%0.766SS**  trans67.2-16.2172.200000117.3L571 R575L571-G573 VanDerWaalsContact C-N 3.33Å; L571-G573 PolarHBondContact O-N 2.83Å; G573-R575 VanDerWaalsContact C-N 3.25Å; G573-R575 PolarHBondContact O-N 3.48Å
574N55.4Low50.2Low152 Ų152148 Ų14881%0.81378%0.779SS**  trans-88.651.6-173.1-156.299.8000112.8A572A572-N574 PolarHBondContact O-N 3.41Å
575R54.1Low48.7Very low227 Ų227155.2 Ų155.286%0.85780%0.8SS**SBendtrans-141.690.5177-176.567.7171.8175.92.2106.9G573 E577G573-R575 VanDerWaalsContact C-N 3.25Å; G573-R575 PolarHBondContact O-N 3.48Å; R575-E577 PolarHBondContact O-N 2.97Å
576E44.4Very low47.7Very low190 Ų190157.8 Ų157.889%0.88880%0.803SS**  trans-64.7127.6-162.9-65.6167.6139.600112.7
577E35Very low46.4Very low197 Ų197159 Ų15992%0.92181%0.811SS**  trans-90.8125.2165.8-66176139.300107.6R575R575-E577 PolarHBondContact O-N 2.97Å
578Q38.4Very low45.2Very low188 Ų188163.1 Ų163.188%0.87982%0.821SS**  trans-131.761.5-174.2-162.8-176.19.300111.9
579E41Very low44Very low195 Ų195168.1 Ų168.191%0.91184%0.838SS**  trans-136.146.7179.6-66.9-165141.100113.4
580E41.7Very low42.8Very low193 Ų193173.8 Ų173.890%0.90286%0.859SS**SBendtrans-150.245.8175.9-144.8172.5-131.600115.6
581L40.8Very low41.3Very low172 Ų172176.5 Ų176.590%0.90187%0.866SS**SBendtrans-159.565.2179.8-124.1157000115.6
582M37.3Very low39.9Very low170 Ų170174.1 Ų174.184%0.83787%0.868SS**  trans-156.212.2175.4-107.1-86.1-176.300116
583D35.8Very low38.3Very low164 Ų164178.3 Ų178.388%0.87788%0.878SS**SBendtrans-118.535.1-162-146.731.8000114.5
584F31.7Very low37.1Very low207 Ų207178.4 Ų178.491%0.90888%0.878SS**SBendtrans-140.92.9-175.8-123.6-90.3000117
585E36.7Very low35.9Very low199 Ų199174.9 Ų174.993%0.9388%0.878SS**SBendtrans-126.214.6-175.3-66.6-170.3147.800114.6
586R40.2Very low34.6Very low216 Ų216169.2 Ų169.282%0.81587%0.874SS**SBendtrans-109.212.2-174.5-154-177.9-78.3-92.10115.8
587D31.7Very low33.8Very low168 Ų168168.9 Ų168.990%0.89887%0.872SS**SBendtrans-104.1-5.1-173.6-104.6-2.6000115.9
588E32.6Very low33.5Very low197 Ų197165.3 Ų165.392%0.92187%0.869SS**SBendtrans-91.6-17.5-178.5-75.3-160.2131.800115.9
589E31.8Very low33.1Very low190 Ų190164.3 Ų164.389%0.88887%0.87SS**SBendtrans-115.256.3-175-68.7-154.6155.300115.6
590R33.8Very low32.6Very low252 Ų252158.7 Ų158.795%0.95186%0.864SS**  trans-152.865.7158.5-129.4172.7-168.9-135-2.3117.3
591S28.7Very low32.3Very low126 Ų126158.3 Ų158.388%0.88186%0.862SS**  trans-134.665.6171.8-1790000114.2
592A32.5Very low32Very low94 Ų94157.6 Ų157.678%0.77785%0.854SS**  trans-157122.8162.400000112.8
593N28.1Very low31.7Very low176 Ų176155.6 Ų155.694%0.94185%0.847SS**  trans54.6151.4169.8-66.6-1.7000119.7
594G28.7Very low31.5Very low73 Ų73155.7 Ų155.775%0.75385%0.846SS**  cis147.685.9-12.100000115.3
595G28.1Very low31.5Very low79 Ų79148.9 Ų148.981%0.81483%0.834SS**  trans78.7164.1174.100000115.2
596S28.8Very low31.3Very low108 Ų108151.5 Ų151.576%0.75584%0.836SS**  cis-161.6166.2-12.9-160.40000110.5
597E27.5Very low31.3Very low182 Ų182146 Ų14685%0.8583%0.83SS**  trans61.6129.2163.3-47.4-167.9151.800120.5
598S26.8Very low31.4Very low122 Ų122143.8 Ų143.885%0.85382%0.823SS**  172.2163.4104-153.30000112.5
599D30.1Very low31.9Very low168 Ų168141 Ų14190%0.89882%0.819SS**  trans-88.2163.7-178-73.1-55.6000114.1
600G32.4Very low32.2Very low77 Ų77137.7 Ų137.779%0.79481%0.808SS**  trans158.8111.8159.300000115.9
601E34Very low32.6Very low184 Ų184132.7 Ų132.786%0.8680%0.799SS**  trans-100.9178.2174.4-59.6-174143.600112.6
602E34.6Very low33.1Very low158 Ų158134 Ų13474%0.73880%0.796SS**  trans76.8143.3164.4-61.7-162.7-150.400118.1
603N31.8Very low33.5Very low128 Ų128137.4 Ų137.468%0.68480%0.796SS**  cis-154.8-176.8-6.3-131.1-46.8000114.1
604I31.8Very low34.2Very low165 Ų165136.5 Ų136.585%0.84679%0.786SS**  trans-102.7142.3-164.1-62.5157.1000114.6
605G30.9Very low35Very low65 Ų65142.6 Ų142.667%0.6779%0.792SS**  trans126140.5158.500000114.6
606W32.2Very low35.8Very low253 Ų253147 Ų14796%0.95879%0.791SS**  cis-138.6149.210.6-119.646.1000112.1
607S40.8Very low36Very low101 Ų101148.7 Ų148.771%0.70679%0.787SS**  trans-24.9125.4175.154.60000120.1
608T33.9Very low36.7Very low122 Ų122147.5 Ų147.575%0.74878%0.782SS**  trans-124.7137.2141.750.90000108.9N610T608-N610 PolarHBondContact O-N 3.04Å
609V42.3Very low36.8Very low137 Ų137148.5 Ų148.583%0.8378%0.777SS**  trans-84.4104.3-177.7-91.90000111.4
610N38.9Very low37.1Very low122 Ų122149.9 Ų149.965%0.65278%0.776SS**  trans-88.4139.8165.3-64.8-9.7000109T608T608-N610 PolarHBondContact O-N 3.04Å
611L42.2Very low37Very low146 Ų146149.7 Ų149.776%0.76476%0.762SS**SBendtrans-101.5-2.4-177.6-110.686.1000114.5
612D38.6Very low37.3Very low153 Ų153145.8 Ų145.882%0.81876%0.761SS**SBendtrans-101.60.2-166.1-62.2-73.8000115.2
613E42Very low37.3Very low167 Ų167142.2 Ų142.278%0.7875%0.754SS**  trans-94.92.3179.4-72-16913400115K615E613-K615 PolarHBondContact O-N 3.14Å
614E41Very low37.7Very low157 Ų157140.6 Ų140.673%0.73475%0.752SS**G310 helixtrans-66.4-2.5179.1-79.1-156.8131.700114.7
615K46.9Very low38.2Very low201 Ų201137.5 Ų137.587%0.87474%0.741SS**G310 helixtrans-95.73.9-172.1-125.4179.6-176.9-176.40116.8E613E613-K615 PolarHBondContact O-N 3.14Å
616Q43.9Very low38.9Very low172 Ų172137.5 Ų137.580%0.80473%0.728SS**G310 helixtrans-126.348.3164-69.9-1609.500112.9Q618Q616-Q618 VanDerWaalsContact C-N 3.25Å; Q616-Q618 PolarHBondContact O-N 2.92Å
617Q33.3Very low39.9Very low143 Ų143134 Ų13467%0.66873%0.726SS**  trans-63.195147.6-64.5-174.222.500107.9D619Q617-D619 PolarHBondContact O-N 2.83Å; Q617-D619 VanDerWaalsContact O-N 3.1Å
618Q41.7Very low40.2Very low157 Ų157136.4 Ų136.473%0.73473%0.731SS**  trans-63.4111.8160.1-77.3-167.50.500107Q616 F620Q616-Q618 VanDerWaalsContact C-N 3.25Å; Q616-Q618 PolarHBondContact O-N 2.92Å; Q618-F620 PolarHBondContact O-N 3.25Å
619D29.4Very low41.6Very low142 Ų142134.5 Ų134.576%0.75972%0.716SS**  trans-57.297.6176.3-89.6-51.6000110.1Q617 S621Q617-D619 PolarHBondContact O-N 2.83Å; Q617-D619 VanDerWaalsContact O-N 3.1Å; D619-S621 PolarHBondContact O-N 2.99Å
620F36.6Very low42.7Very low198 Ų198137.1 Ų137.187%0.86872%0.719SS**  trans-70.350.8149.8-84.2-80.5000109.8Q618 A622Q618-F620 PolarHBondContact O-N 3.25Å; F620-A622 PolarHBondContact O-N 2.71Å
621S30.8Very low44.2Very low73 Ų73137 Ų13751%0.5172%0.715SS.*  trans-48.5115.1157.7176.20000106.9D619 S623D619-S621 PolarHBondContact O-N 2.99Å; S621-S623 PolarHBondContact O-N 2.69Å; S621-S623 PolarHBondContact O-OG 3.11Å; S621-S623 PolarHBondContact OG-N 3.16Å
622A40.8Very low45.6Very low101 Ų101132 Ų13284%0.83569%0.691SS**  trans-7350.6163.400000109.4F620 S624F620-A622 PolarHBondContact O-N 2.71Å; A622-S624 PolarHBondContact O-N 2.95Å
623S34.5Very low47.2Very low84 Ų84129.8 Ų129.859%0.58768%0.678SS**  trans-59.191.5156.152.20000106.1S621 T625S621-S623 PolarHBondContact O-N 2.69Å; S621-S623 PolarHBondContact O-OG 3.11Å; S621-S623 PolarHBondContact OG-N 3.16Å; S623-T625 PolarHBondContact O-N 3.15Å
624S38.9Very low48.7Very low93 Ų93125.1 Ų125.165%0.6566%0.661SS**  trans-52.3107.516551.90000106.7A622 T626A622-S624 PolarHBondContact O-N 2.95Å; S624-T626 VanDerWaalsContact C-N 3.33Å; S624-T626 VanDerWaalsContact O-CG2 3.29Å; S624-T626 WeakPolarHBondContact O-CG2 3.32Å; S624-T626 PolarHBondContact O-N 2.91Å
625T43.6Very low50.4Low100 Ų100125 Ų12561%0.61367%0.665SS**  trans-57.9106.7167.347.80000105.7S623 D629S623-T625 PolarHBondContact O-N 3.15Å; T625-D629 WeakPolarHBondContact CA-OD2 3.35Å; T625-D629 VanDerWaalsContact CB-OD2 3.28Å; T625-D629 WeakPolarHBondContact CB-OD2 3.32Å
626T45.2Very low51.7Low65 Ų65126 Ų12640%0.39966%0.663SS.*  trans-74.3162.2-169.970.90000108.2S624 L628 D629S624-T626 VanDerWaalsContact C-N 3.33Å; S624-T626 VanDerWaalsContact O-CG2 3.29Å; S624-T626 WeakPolarHBondContact O-CG2 3.32Å; S624-T626 PolarHBondContact O-N 2.91Å; T626-L628 PolarHBondContact O-N 2.97Å; T626-L628 PolarHBondContact OG1-N 3.36Å; T626-D629 WeakPolarHBondContact CB-OD1 3.46Å; T626-D629 VanDerWaalsContact N-CG 3.31Å; T626-D629 PolarHBondContact N-OD1 3.39Å; T626-D629 PolarHBondContact N-OD2 3.46Å; T626-D629 VanDerWaalsContact N-OD2 3.16Å; T626-D629 PolarHBondContact O-N 2.95Å; T626-D629 PolarHBondContact OG1-OD1 2.93Å
627I52Low53.6Low179 Ų179119.4 Ų119.492%0.91864%0.642SS**THydrogen-bonded Turntrans-73.321.7178-56.8161.1000110.5
628L48Very low56.1Low152 Ų152120 Ų12080%0.79665%0.649SS**THydrogen-bonded Turntrans-132-6.2-174.5-54.2174.3000112.6T626 E630T626-L628 PolarHBondContact O-N 2.97Å; T626-L628 PolarHBondContact OG1-N 3.36Å; L628-E630 PolarHBondContact O-N 3.12Å
629D62.8Low58.1Low82 Ų82116 Ų11644%0.43964%0.642SS.*SBendtrans-65.7131.6176.1-55.14.2000108.9T625 T626 E631T625-D629 WeakPolarHBondContact CA-OD2 3.35Å; T625-D629 VanDerWaalsContact CB-OD2 3.28Å; T625-D629 WeakPolarHBondContact CB-OD2 3.32Å; T626-D629 WeakPolarHBondContact CB-OD1 3.46Å; T626-D629 VanDerWaalsContact N-CG 3.31Å; T626-D629 PolarHBondContact N-OD1 3.39Å; T626-D629 PolarHBondContact N-OD2 3.46Å; T626-D629 VanDerWaalsContact N-OD2 3.16Å; T626-D629 PolarHBondContact O-N 2.95Å; T626-D629 PolarHBondContact OG1-OD1 2.93Å; D629-E631 PolarHBondContact O-N 3Å
630E65.6Low60.8Low192 Ų192109.9 Ų109.990%0.89761%0.611SS**PPolyproline II helixtrans-63.9126.6-166.8-62.9-171.2-175.100112.7L628L628-E630 PolarHBondContact O-N 3.12Å
631E70.4Confident63.1Low119 Ų119101.7 Ų101.756%0.55658%0.581SS**PPolyproline II helixtrans-61.7124.1-176.1-66.7-166.9176.600111.4D629 I633 L644 K648D629-E631 PolarHBondContact O-N 3Å; E631-I633 PolarHBondContact O-N 3.21Å; E631-L644 HydrophobicContact CB-CD1 3.81Å; E631-L644 HydrophobicContact CG-CD1 3.76Å; E631-K648 VanDerWaalsContact CD-CE 3.46Å; E631-K648 WeakPolarHBondContact OE1-CE 3.49Å; E631-K648 IonicContact OE1-NZ 2.78Å; E631-K648 PolarHBondContact OE1-NZ 2.89Å; E631-K648 IonicContact OE2-NZ 2.69Å; E631-K648 PolarHBondContact OE2-NZ 3.27Å
632P72.1Confident65.7Low42 Ų42102.7 Ų102.727%0.27358%0.58SS.*PPolyproline II helixtrans-62.2128.9-177.723.7-34000111V634 A640 L643 L644P632-V634 PolarHBondContact O-N 3.02Å; P632-A640 HydrophobicContact CB-CB 4.42Å; P632-L643 HydrophobicContact CG-CB 4.37Å; P632-L644 HydrophobicContact CG-CB 4.38Å
633I72Confident67.8Low107 Ų107102 Ų10255%0.54956%0.561SS.*  trans-63.8104.5-172.7-57169.7000110E631 N635 R636E631-I633 PolarHBondContact O-N 3.21Å; I633-N635 HydrophobicContact CG2-CB 4.02Å; I633-N635 PolarHBondContact O-N 3.42Å; I633-R636 PolarHBondContact O-N 2.84Å
634V72.8Confident70.2Confident68 Ų6899 Ų9941%0.41254%0.538SS..G310 helixtrans-51.8-27.4-176177.30000113.5P632 R636 G637 A641 L644P632-V634 PolarHBondContact O-N 3.02Å; V634-R636 PolarHBondContact O-N 3.17Å; V634-G637 PolarHBondContact O-N 3.02Å; V634-G637 VanDerWaalsContact O-N 3.07Å; V634-A641 HydrophobicContact CG1-CB 4.07Å; V634-L644 HydrophobicContact CG2-CD2 3.49Å; V634-L644 VanDerWaalsContact CG2-CD2 3.49Å
635N77.4Confident72.4Confident154 Ų15496.6 Ų96.682%0.82452%0.521SS*.G310 helixtrans-61-13.6177.4-55.6-10.2000114.1I633I633-N635 HydrophobicContact CG2-CB 4.02Å; I633-N635 PolarHBondContact O-N 3.42Å
636R74.6Confident74.4Confident223 Ų22396 Ų9684%0.84251%0.511SS*.G310 helixtrans-86.72.5174.7-76.7-173.7164.5137.4-3.2114.7I633 V634I633-R636 PolarHBondContact O-N 2.84Å; V634-R636 PolarHBondContact O-N 3.17Å
637G83.3Confident76.2Confident34 Ų3497.5 Ų97.535%0.35152%0.517SS..  trans126.7175.6166.400000114.9V634 A639 A640 A641V634-G637 PolarHBondContact O-N 3.02Å; V634-G637 VanDerWaalsContact O-N 3.07Å; G637-A639 PolarHBondContact O-N 2.69Å; G637-A640 WeakPolarHBondContact O-CB 3.48Å; G637-A640 PolarHBondContact O-N 3.47Å; G637-A641 PolarHBondContact O-N 3.13Å
638L85.4Confident77.8Confident156 Ų15693.7 Ų93.782%0.81749%0.494SS*.Hα-helixtrans-60.9-28.1-174.6-67.5175000113.5A641 L642L638-A641 WeakPolarHBondContact O-CB 2.82Å; L638-A641 PolarHBondContact O-N 3.35Å; L638-L642 WeakPolarHBondContact O-CB 2.98Å; L638-L642 PolarHBondContact O-N 3.22Å
639A84Confident79.4Confident72 Ų7288.6 Ų88.660%0.59548%0.478SS*.Hα-helixtrans-62.3-41.4173.300000112.3G637 A641 L642 L643G637-A639 PolarHBondContact O-N 2.69Å; A639-A641 VanDerWaalsContact C-N 3.34Å; A639-L642 PolarHBondContact O-N 2.91Å; A639-L643 WeakPolarHBondContact O-CB 3.28Å; A639-L643 WeakPolarHBondContact O-CG 3.31Å; A639-L643 PolarHBondContact O-N 2.88Å
640A85.4Confident80.3Confident13 Ų1390.5 Ų90.511%0.10749%0.487CS..Hα-helixtrans-66.2-36.7174.500000111.6P632 G637 L644P632-A640 HydrophobicContact CB-CB 4.42Å; G637-A640 WeakPolarHBondContact O-CB 3.48Å; G637-A640 PolarHBondContact O-N 3.47Å; A640-L644 VanDerWaalsContact O-CB 3.27Å; A640-L644 WeakPolarHBondContact O-CB 3.39Å; A640-L644 PolarHBondContact O-N 3.14Å
641A85.6Confident81Confident27 Ų2784.3 Ų84.322%0.22346%0.46CS..Hα-helixtrans-64.6-39.9172.700000112.6V634 G637 L638 A639 L644 C645V634-A641 HydrophobicContact CG1-CB 4.07Å; G637-A641 PolarHBondContact O-N 3.13Å; L638-A641 WeakPolarHBondContact O-CB 2.82Å; L638-A641 PolarHBondContact O-N 3.35Å; A639-A641 VanDerWaalsContact C-N 3.34Å; A641-L644 PolarHBondContact O-N 2.83Å; A641-C645 WeakPolarHBondContact O-CB 3.47Å; A641-C645 PolarHBondContact O-N 3.4Å; A641-C645 PolarHBondContact O-SG 2.67Å; A641-C645 VanDerWaalsContact O-SG 3.35Å
642L85.3Confident80.8Confident94 Ų9484.1 Ų84.149%0.49246%0.459SS..Hα-helixtrans-67.8-48.3178.3-164.9162.4000110.8L638 A639 L644 C645 Q646 L651L638-L642 WeakPolarHBondContact O-CB 2.98Å; L638-L642 PolarHBondContact O-N 3.22Å; A639-L642 PolarHBondContact O-N 2.91Å; L642-L644 VanDerWaalsContact C-N 3.28Å; L642-L644 PolarHBondContact O-N 2.85Å; L642-C645 CarbonylContact O-C 3.57Å; L642-C645 PolarHBondContact O-N 3.05Å; L642-C645 VanDerWaalsContact O-N 3.13Å; L642-Q646 WeakPolarHBondContact O-CB 3.49Å; L642-Q646 PolarHBondContact O-N 3.5Å; L642-L651 HydrophobicContact CD2-CD1 3.71Å; L642-L651 HydrophobicContact CG-CD1 3.95Å
643L84.9Confident80.4Confident85 Ų8583.9 Ų83.945%0.44546%0.457SS..Hα-helixtrans-56.4-42172.5-73.5167.4000111.6P632 A639 C645 Q646 N647P632-L643 HydrophobicContact CG-CB 4.37Å; A639-L643 WeakPolarHBondContact O-CB 3.28Å; A639-L643 WeakPolarHBondContact O-CG 3.31Å; A639-L643 PolarHBondContact O-N 2.88Å; L643-C645 PolarHBondContact O-N 3.12Å; L643-Q646 WeakPolarHBondContact O-CB 3.44Å; L643-Q646 PolarHBondContact O-N 2.94Å; L643-N647 WeakPolarHBondContact O-CB 3.44Å; L643-N647 VanDerWaalsContact O-CG 3.27Å; L643-N647 PolarHBondContact O-N 3.07Å; L643-N647 PolarHBondContact O-OD1 3.1Å
644L85Confident79.5Confident21 Ų2184.2 Ų84.211%0.1146%0.464CS..Hα-helixtrans-64.4-40.8176-174.956.5000112.5E631 P632 V634 A640 A641 L642 Q646 K648E631-L644 HydrophobicContact CB-CD1 3.81Å; E631-L644 HydrophobicContact CG-CD1 3.76Å; P632-L644 HydrophobicContact CG-CB 4.38Å; V634-L644 HydrophobicContact CG2-CD2 3.49Å; V634-L644 VanDerWaalsContact CG2-CD2 3.49Å; A640-L644 VanDerWaalsContact O-CB 3.27Å; A640-L644 WeakPolarHBondContact O-CB 3.39Å; A640-L644 PolarHBondContact O-N 3.14Å; A641-L644 PolarHBondContact O-N 2.83Å; L642-L644 VanDerWaalsContact C-N 3.28Å; L642-L644 PolarHBondContact O-N 2.85Å; L644-Q646 VanDerWaalsContact C-N 3.35Å; L644-K648 HydrophobicContact CD1-CD 3.99Å; L644-K648 HydrophobicContact CD1-CG 4.39Å; L644-K648 HydrophobicContact CG-CD 4.11Å; L644-K648 VanDerWaalsContact O-CB 3.3Å; L644-K648 WeakPolarHBondContact O-CB 3.46Å; L644-K648 WeakPolarHBondContact O-CG 3.23Å; L644-K648 PolarHBondContact O-N 2.82Å
645C85.2Confident78.6Confident43 Ų4386.1 Ų86.129%0.29148%0.476SS..Hα-helixtrans-68.9-31.2174.5-73.80000112.9A641 L642 L643 G649 L650 L651A641-C645 WeakPolarHBondContact O-CB 3.47Å; A641-C645 PolarHBondContact O-N 3.4Å; A641-C645 PolarHBondContact O-SG 2.67Å; A641-C645 VanDerWaalsContact O-SG 3.35Å; L642-C645 CarbonylContact O-C 3.57Å; L642-C645 PolarHBondContact O-N 3.05Å; L642-C645 VanDerWaalsContact O-N 3.13Å; L643-C645 PolarHBondContact O-N 3.12Å; C645-G649 PolarHBondContact O-N 3.42Å; C645-L650 HydrophobicContact CB-CB 4.29Å; C645-L650 WeakPolarHBondContact O-CB 3.5Å; C645-L650 PolarHBondContact O-N 2.8Å; C645-L651 HydrophobicContact CB-CD1 4.06Å; C645-L651 HydrophobicContact CB-CD2 4.12Å; C645-L651 HydrophobicContact CB-CG 3.83Å
646Q85.6Confident77.4Confident87 Ų8783.6 Ų83.641%0.40746%0.459SS..Hα-helixtrans-67.6-50.7172.2178.5168.3-36.400111L642 L643 L644 K648 G649 L651 T653L642-Q646 WeakPolarHBondContact O-CB 3.49Å; L642-Q646 PolarHBondContact O-N 3.5Å; L643-Q646 WeakPolarHBondContact O-CB 3.44Å; L643-Q646 PolarHBondContact O-N 2.94Å; L644-Q646 VanDerWaalsContact C-N 3.35Å; Q646-K648 VanDerWaalsContact C-N 3.28Å; Q646-K648 PolarHBondContact O-N 3.49Å; Q646-G649 PolarHBondContact O-N 2.71Å; Q646-L651 HydrophobicContact CB-CD1 4.24Å; Q646-T653 HydrophobicContact CG-CG2 4.27Å
647N83.7Confident76Confident97 Ų9778.6 Ų78.652%0.51944%0.443SS..Hα-helixtrans-62.8-34.6178.3-687.4000111.8L643 G649L643-N647 WeakPolarHBondContact O-CB 3.44Å; L643-N647 VanDerWaalsContact O-CG 3.27Å; L643-N647 PolarHBondContact O-N 3.07Å; L643-N647 PolarHBondContact O-OD1 3.1Å; N647-G649 PolarHBondContact O-N 3.4Å
648K83.8Confident74.1Confident100 Ų10083.2 Ų83.244%0.43547%0.465SS..THydrogen-bonded Turntrans-78.40.2173-72.3175.1175.9167.90114.4E631 L644 Q646 L650E631-K648 VanDerWaalsContact CD-CE 3.46Å; E631-K648 WeakPolarHBondContact OE1-CE 3.49Å; E631-K648 IonicContact OE1-NZ 2.78Å; E631-K648 PolarHBondContact OE1-NZ 2.89Å; E631-K648 IonicContact OE2-NZ 2.69Å; E631-K648 PolarHBondContact OE2-NZ 3.27Å; L644-K648 HydrophobicContact CD1-CD 3.99Å; L644-K648 HydrophobicContact CD1-CG 4.39Å; L644-K648 HydrophobicContact CG-CD 4.11Å; L644-K648 VanDerWaalsContact O-CB 3.3Å; L644-K648 WeakPolarHBondContact O-CB 3.46Å; L644-K648 WeakPolarHBondContact O-CG 3.23Å; L644-K648 PolarHBondContact O-N 2.82Å; Q646-K648 VanDerWaalsContact C-N 3.28Å; Q646-K648 PolarHBondContact O-N 3.49Å; K648-L650 HydrophobicContact CB-CD1 4.06Å; K648-L650 HydrophobicContact CB-CG 3.92Å; K648-L650 PolarHBondContact O-N 2.81Å
649G81.6Confident72.1Confident44 Ų4480 Ų8045%0.45446%0.461SS..THydrogen-bonded Turntrans63.523.9179.700000114.3C645 Q646 N647C645-G649 PolarHBondContact O-N 3.42Å; Q646-G649 PolarHBondContact O-N 2.71Å; N647-G649 PolarHBondContact O-N 3.4Å
650L82.6Confident70Confident122 Ų12286.8 Ų86.864%0.63947%0.471SS*.  trans-83-15.9179.1-59.9176.3000112.6C645 K648C645-L650 HydrophobicContact CB-CB 4.29Å; C645-L650 WeakPolarHBondContact O-CB 3.5Å; C645-L650 PolarHBondContact O-N 2.8Å; K648-L650 HydrophobicContact CB-CD1 4.06Å; K648-L650 HydrophobicContact CB-CG 3.92Å; K648-L650 PolarHBondContact O-N 2.81Å
651L80.9Confident67.7Low63 Ų6393.2 Ų93.233%0.3351%0.508SS..SBendtrans-100.9131176.2-56-179.5000110.6L642 C645 Q646 T653L642-L651 HydrophobicContact CD2-CD1 3.71Å; L642-L651 HydrophobicContact CG-CD1 3.95Å; C645-L651 HydrophobicContact CB-CD1 4.06Å; C645-L651 HydrophobicContact CB-CD2 4.12Å; C645-L651 HydrophobicContact CB-CG 3.83Å; Q646-L651 HydrophobicContact CB-CD1 4.24Å; L651-T653 HydrophobicContact CB-CG2 4.32Å; L651-T653 PolarHBondContact O-N 3.14Å
652E66.2Low65.1Low115 Ų115101.4 Ų101.454%0.53754%0.539SS..  trans-75.369.3169.6-69-165.9175.700111.7K657E652-K657 VanDerWaalsContact OE2-CE 3.23Å; E652-K657 WeakPolarHBondContact OE2-CE 3.26Å; E652-K657 IonicContact OE2-NZ 3.85Å; E652-K657 PolarHBondContact OE2-NZ 3.21Å
653T62.4Low62.7Low36 Ų36101.1 Ų101.122%0.22155%0.551CS.*  trans-59.7141.6173.458.10000110.5Q646 L651 V655 Q656Q646-T653 HydrophobicContact CG-CG2 4.27Å; L651-T653 HydrophobicContact CB-CG2 4.32Å; L651-T653 PolarHBondContact O-N 3.14Å; T653-V655 PolarHBondContact O-N 2.9Å; T653-Q656 PolarHBondContact O-N 3.16Å
654T54Low61.1Low115 Ų115102.1 Ų102.171%0.70656%0.562SS**G310 helixtrans-56.4-36.1-171.944.50000112.9Q656 K657T654-Q656 VanDerWaalsContact C-N 3.28Å; T654-Q656 PolarHBondContact O-N 3.3Å; T654-K657 VanDerWaalsContact O-CB 3.31Å; T654-K657 WeakPolarHBondContact O-CB 3.3Å; T654-K657 PolarHBondContact O-N 3.19Å
655V54.4Low59.1Low108 Ų108106 Ų10666%0.65558%0.583SS**G310 helixtrans-57.4-32.4175.9-72.30000114.2T653 K657 V658T653-V655 PolarHBondContact O-N 2.9Å; V655-K657 PolarHBondContact O-N 3.49Å; V655-V658 PolarHBondContact O-N 3.36Å
656Q50.6Low57.4Low100 Ų100106.4 Ų106.447%0.46758%0.58SS.*G310 helixtrans-67.8-19177-66.4-166.112.800113T653 T654 V658 A659T653-Q656 PolarHBondContact O-N 3.16Å; T654-Q656 VanDerWaalsContact C-N 3.28Å; T654-Q656 PolarHBondContact O-N 3.3Å; Q656-V658 PolarHBondContact O-N 2.91Å; Q656-A659 PolarHBondContact O-N 2.89Å
657K46.6Very low55Low118 Ų118107.4 Ų107.451%0.51360%0.597SS.*G310 helixtrans-77.8-6.3-177.3-58.9178.5174.7173.90113E652 T654 V655E652-K657 VanDerWaalsContact OE2-CE 3.23Å; E652-K657 WeakPolarHBondContact OE2-CE 3.26Å; E652-K657 IonicContact OE2-NZ 3.85Å; E652-K657 PolarHBondContact OE2-NZ 3.21Å; T654-K657 VanDerWaalsContact O-CB 3.31Å; T654-K657 WeakPolarHBondContact O-CB 3.3Å; T654-K657 PolarHBondContact O-N 3.19Å; V655-K657 PolarHBondContact O-N 3.49Å
658V43.1Very low53.3Low132 Ų132109.6 Ų109.680%0.861%0.607SS**G310 helixtrans-85.8-30.9172.6-172.10000111.8V655 Q656V655-V658 PolarHBondContact O-N 3.36Å; Q656-V658 PolarHBondContact O-N 2.91Å
659A43.3Very low51.5Low89 Ų89110.3 Ų110.374%0.73662%0.622SS**SBendtrans-89.70.5-170.700000115.3Q656Q656-A659 PolarHBondContact O-N 2.89Å
660R39.1Very low49.5Very low213 Ų213113.3 Ų113.380%0.80464%0.636SS**SBendtrans-136.5141.9175.3-65.5-171.9-174.1175.56.9111K662R660-K662 PolarHBondContact O-N 2.99Å
661V37.6Very low47.3Very low148 Ų148112.1 Ų112.190%0.89764%0.644SS**  trans-55.3131.7-178.7177.50000110.9A663V661-A663 PolarHBondContact O-N 2.61Å
662K31.9Very low45.6Very low199 Ų199114.8 Ų114.887%0.86566%0.663SS**  trans-56.3117.2-165.1-165.1168.6-175.6172.40113.5R660R660-K662 PolarHBondContact O-N 2.99Å
663A34.2Very low44Very low89 Ų89120.3 Ų120.374%0.73668%0.68SS**  trans-132.9125.5158.400000107.7V661V661-A663 PolarHBondContact O-N 2.61Å
664P52.1Low42.9Very low106 Ų106124 Ų12469%0.68871%0.707SS**  trans-82.2164.1-177.533.1-34.9000112.5
665N41.4Very low42.1Very low103 Ų103126.2 Ų126.255%0.55171%0.712SS**  trans88.2134.3172-54-36.2000116.6
666K49.7Very low41.3Very low51 Ų51127.8 Ų127.822%0.22271%0.712CS.*  cis-166.11590.1-103.3151.5-158.7151.70110.3K709 E711K666-K709 HydrophobicContact CD-CD 3.89Å; K666-K709 HydrophobicContact CD-CG 4.39Å; K666-K709 VanDerWaalsContact CE-CD 3.47Å; K666-K709 VanDerWaalsContact CE-CG 3.48Å; K666-K709 VanDerWaalsContact NZ-CB 3.27Å; K666-E711 VanDerWaalsContact CD-OE1 3.26Å; K666-E711 WeakPolarHBondContact CD-OE1 3.34Å; K666-E711 IonicContact NZ-OE1 2.7Å; K666-E711 PolarHBondContact NZ-OE1 3Å
667S35.1Very low40.8Very low108 Ų108130.9 Ų130.976%0.75573%0.732SS**  trans-109.4164.615450.40000111.5
668L47.9Very low40.8Very low142 Ų142133.1 Ų133.174%0.74374%0.742SS**  trans-143158.3-173.5-86.9176.4000107.5
669P47.9Very low40.5Very low116 Ų116134.7 Ų134.775%0.75374%0.743SS**  -140.9141.451.445-27.6000114.9
670S38Very low40.5Very low106 Ų106135.5 Ų135.574%0.74175%0.749SS**  99.1114.979.679.70000114.8
671A37.5Very low40.6Very low98 Ų98132.1 Ų132.181%0.8175%0.746SS**  trans-144.1147.8154.600000107.5
672V43.8Very low40.5Very low119 Ų119129.3 Ų129.372%0.72173%0.726SS**  trans-111.3118.1-170.3177.60000111
673Y33.5Very low41.3Very low231 Ų231127 Ų12791%0.90672%0.723SS**  trans-133.3114.7155.4-81.7-82.1000108.8
674C38.3Very low41.9Very low114 Ų114130.3 Ų130.377%0.7772%0.72SS**  trans-97.6120.5170-60.80000107.6
675I38.5Very low41.5Very low160 Ų160134.9 Ų134.982%0.82173%0.725SS**  trans-80.9126.1167.5-63174.9000107D677I675-D677 PolarHBondContact O-N 3.08Å
676E36.8Very low41.9Very low141 Ų141132.9 Ų132.966%0.65972%0.719SS**  trans-80.2114.7176.8-65.7-167.8158.200110.5K678E676-K678 PolarHBondContact O-N 3.15Å; E676-K678 WeakPolarHBondContact OE2-CE 3.43Å; E676-K678 IonicContact OE2-NZ 2.71Å; E676-K678 PolarHBondContact OE2-NZ 3.48Å
677D40.9Very low41.7Very low166 Ų166140.9 Ų140.989%0.88875%0.748SS**  trans-65.395.8172.4-79.9-36.1000111.3I675I675-D677 PolarHBondContact O-N 3.08Å
678K46.1Very low42.1Very low165 Ų165146.9 Ų146.972%0.71775%0.754SS**  trans-116.463.1170.5-75.1-178.8176.7143.90111.8E676E676-K678 PolarHBondContact O-N 3.15Å; E676-K678 WeakPolarHBondContact OE2-CE 3.43Å; E676-K678 IonicContact OE2-NZ 2.71Å; E676-K678 PolarHBondContact OE2-NZ 3.48Å
679M35.9Very low41.9Very low165 Ų165147.7 Ų147.781%0.81375%0.754SS**  trans-118.884.3165.8-64.4-154.479.200111.1
680A45.1Very low41.9Very low106 Ų106148.5 Ų148.588%0.87675%0.748SS**  trans-98.368.6171.600000110.3
681I39.6Very low42.2Very low142 Ų142153.8 Ų153.873%0.72875%0.753SS**  trans-126.1110.7-178.5-61.3-176.8000110.9
682D36.3Very low42.3Very low89 Ų89159.6 Ų159.648%0.47675%0.754SS.*  trans32.489.7169.1-149.837.8000119.8K684D682-K684 PolarHBondContact O-N 3.25Å; D682-K684 WeakPolarHBondContact OD1-CD 3.27Å; D682-K684 VanDerWaalsContact OD1-CE 3.32Å; D682-K684 WeakPolarHBondContact OD1-CE 3.46Å; D682-K684 IonicContact OD1-NZ 2.68Å; D682-K684 PolarHBondContact OD1-NZ 2.82Å
683D49.5Very low42.1Very low150 Ų150156.9 Ų156.980%0.80275%0.75SS**THydrogen-bonded Turntrans-67.439.6173.5-170.428.7000114.5
684K45.7Very low42.7Very low158 Ų158154.5 Ų154.569%0.68775%0.745SS**THydrogen-bonded Turntrans-120.5-24.9-174.1-66.7-177.5-161.8126.60115.1D682D682-K684 PolarHBondContact O-N 3.25Å; D682-K684 WeakPolarHBondContact OD1-CD 3.27Å; D682-K684 VanDerWaalsContact OD1-CE 3.32Å; D682-K684 WeakPolarHBondContact OD1-CE 3.46Å; D682-K684 IonicContact OD1-NZ 2.68Å; D682-K684 PolarHBondContact OD1-NZ 2.82Å
685Y44.4Very low43Very low202 Ų202155 Ų15579%0.79274%0.744SS**SBendtrans-98.7-21.1-178.8-84.2-84.5000115R687Y685-R687 PolarHBondContact O-N 2.81Å
686S48.7Very low43.9Very low61 Ų61154.1 Ų154.143%0.42774%0.737SS.*G310 helixtrans-48.8-38.5-174.5-174.10000115.1R688 E689 E690S686-R688 PolarHBondContact O-N 3.26Å; S686-E689 PolarHBondContact O-N 3.49Å; S686-E690 WeakPolarHBondContact CB-OE1 3.35Å; S686-E690 PolarHBondContact OG-OE1 2.99Å
687R46.7Very low44.5Very low219 Ų219152.5 Ų152.583%0.82673%0.733SS**G310 helixtrans-73.121.8-158.7-135.3-170.5-56.2163.15.2116.7Y685Y685-R687 PolarHBondContact O-N 2.81Å
688R43.3Very low45.2Very low235 Ų235151 Ų15189%0.88772%0.719SS**G310 helixtrans-133.7-14.6174.5-174.8147-75.5-136.7-5.9114.7S686S686-R688 PolarHBondContact O-N 3.26Å
689E43.8Very low46Very low158 Ų158148.9 Ų148.974%0.73871%0.71SS**THydrogen-bonded Turntrans-107.9-7.1-175.4-64.1-174151.100114.4S686 Y691 R692S686-E689 PolarHBondContact O-N 3.49Å; E689-Y691 PolarHBondContact O-N 2.94Å; E689-R692 PolarHBondContact O-N 3.1Å
690E47.8Very low47.3Very low134 Ų134149.3 Ų149.363%0.62671%0.709SS**THydrogen-bonded Turntrans-57.88.7-176.6-71.4164.5-152.100117S686S686-E690 WeakPolarHBondContact CB-OE1 3.35Å; S686-E690 PolarHBondContact OG-OE1 2.99Å
691Y43.7Very low48.5Very low216 Ų216150 Ų15085%0.84769%0.692SS**THydrogen-bonded Turntrans-115.60.5173.8-134.8-95.5000115E689E689-Y691 PolarHBondContact O-N 2.94Å
692R40.4Very low49.8Very low221 Ų221151 Ų15183%0.83470%0.7SS**SBendtrans-132.484.1168.3-73.3-65.8-172-130.25.4108.6E689E689-R692 PolarHBondContact O-N 3.1Å
693G39.8Very low51.7Low62 Ų62150.7 Ų150.764%0.63972%0.717SS**  trans-59.3147.2169.900000110.7T695G693-T695 VanDerWaalsContact C-N 3.27Å; G693-T695 PolarHBondContact O-N 2.99Å
694F44.8Very low53.2Low181 Ų181149.9 Ų149.979%0.79470%0.704SS**  trans-67.780.7-179.9-175.2-99.4000111.1Q696F694-Q696 VanDerWaalsContact C-N 3.3Å; F694-Q696 HydrophobicContact CD1-CB 4.23Å; F694-Q696 HydrophobicContact CE1-CB 3.68Å; F694-Q696 HydrophobicContact CZ-CB 3.93Å; F694-Q696 PolarHBondContact O-N 2.94Å
695T45.8Very low54.9Low123 Ų123151.9 Ų151.976%0.75571%0.713SS**  trans-87.772.3169.955.90000109G693 D697G693-T695 VanDerWaalsContact C-N 3.27Å; G693-T695 PolarHBondContact O-N 2.99Å; T695-D697 PolarHBondContact O-N 2.91Å
696Q57.4Low56.8Low142 Ų142145.4 Ų145.466%0.66470%0.695SS**  trans-72.7117.1159-174.9169.32.600106.9F694 F698F694-Q696 VanDerWaalsContact C-N 3.3Å; F694-Q696 HydrophobicContact CD1-CB 4.23Å; F694-Q696 HydrophobicContact CE1-CB 3.68Å; F694-Q696 HydrophobicContact CZ-CB 3.93Å; F694-Q696 PolarHBondContact O-N 2.94Å; Q696-F698 PolarHBondContact O-N 2.53Å
697D49.8Very low58.4Low107 Ų107147.6 Ų147.657%0.57270%0.702SS**  trans-62.7133.5-177.8-66.4-37.4000110.3T695 K699T695-D697 PolarHBondContact O-N 2.91Å; D697-K699 HydrophobicContact CB-CD 4.08Å; D697-K699 HydrophobicContact CB-CG 3.86Å; D697-K699 PolarHBondContact O-N 3.37Å
698F54.4Low60.3Low135 Ų135142.1 Ų142.159%0.59269%0.693SS**  trans-78.555.9-175.6-161.7-94.1000111.4Q696 K701 Y704Q696-F698 PolarHBondContact O-N 2.53Å; F698-K701 HydrophobicContact CE1-CB 4.04Å; F698-K701 HydrophobicContact CE1-CD 4.09Å; F698-K701 HydrophobicContact CE1-CG 4.25Å; F698-K701 HydrophobicContact CZ-CD 4.21Å; F698-Y704 HydrophobicContact CD1-CD1 4.02Å; F698-Y704 AromaticContact CE1-CD1 3.32Å; F698-Y704 HydrophobicContact CE1-CD1 3.32Å; F698-Y704 AromaticContact CE1-CE1 3.85Å; F698-Y704 HydrophobicContact CE1-CE1 3.85Å; F698-Y704 HydrophobicContact CE1-CG 4.06Å; F698-Y704 HydrophobicContact CZ-CD1 4.04Å; F698-Y704 HydrophobicContact CZ-CE1 4.15Å
699K63.5Low62.4Low121 Ų121135.5 Ų135.553%0.52667%0.67SS.*THydrogen-bonded Turntrans-81.5-5.5-173.5-69.3179.9174.8-1770114.3D278 D697 K701D278-K699 IonicContact OD2-NZ 3.99Å; D278-K699 PolarHBondContact OD2-NZ 2.75Å; D697-K699 HydrophobicContact CB-CD 4.08Å; D697-K699 HydrophobicContact CB-CG 3.86Å; D697-K699 PolarHBondContact O-N 3.37Å; K699-K701 VanDerWaalsContact C-N 3.27Å; K699-K701 PolarHBondContact O-N 3.35Å
700E62.4Low64.5Low173 Ų173133.8 Ų133.881%0.80867%0.665SS**THydrogen-bonded Turntrans-78.1-1.6-177.8-65.1-173.5156.100114.9
701K70.1Confident66.5Low120 Ų120130.9 Ų130.952%0.52265%0.652SS.*  trans-147.276.7-174.7-60.4-171-178.3-175.10113.5F698 K699 G703 Y704F698-K701 HydrophobicContact CE1-CB 4.04Å; F698-K701 HydrophobicContact CE1-CD 4.09Å; F698-K701 HydrophobicContact CE1-CG 4.25Å; F698-K701 HydrophobicContact CZ-CD 4.21Å; K699-K701 VanDerWaalsContact C-N 3.27Å; K699-K701 PolarHBondContact O-N 3.35Å; K701-G703 PolarHBondContact O-N 3.37Å; K701-G703 VanDerWaalsContact O-N 3.12Å; K701-Y704 WeakPolarHBondContact O-CB 3.37Å; K701-Y704 PolarHBondContact O-N 2.95Å
702D68.3Low68.8Low164 Ų164127.3 Ų127.388%0.87764%0.638SS**THydrogen-bonded Turntrans-61.5-20.9176-56.2-64.6000114
703G74.6Confident71.2Confident82 Ų82120.1 Ų120.185%0.84562%0.618SS**THydrogen-bonded Turntrans-84.3-9170.300000115.4K701 K705K701-G703 PolarHBondContact O-N 3.37Å; K701-G703 VanDerWaalsContact O-N 3.12Å; G703-K705 PolarHBondContact O-N 3.38Å
704Y81.8Confident73.5Confident134 Ų134118.4 Ų118.453%0.52559%0.594SS.*  trans-88.7109.1-179.1-176.6-110.4000110.6F698 K701 P706F698-Y704 HydrophobicContact CD1-CD1 4.02Å; F698-Y704 AromaticContact CE1-CD1 3.32Å; F698-Y704 HydrophobicContact CE1-CD1 3.32Å; F698-Y704 AromaticContact CE1-CE1 3.85Å; F698-Y704 HydrophobicContact CE1-CE1 3.85Å; F698-Y704 HydrophobicContact CE1-CG 4.06Å; F698-Y704 HydrophobicContact CZ-CD1 4.04Å; F698-Y704 HydrophobicContact CZ-CE1 4.15Å; K701-Y704 WeakPolarHBondContact O-CB 3.37Å; K701-Y704 PolarHBondContact O-N 2.95Å; Y704-P706 HydrophobicContact CD1-CB 4.24Å; Y704-P706 HydrophobicContact CD1-CG 4.18Å; Y704-P706 HydrophobicContact CE1-CB 3.66Å; Y704-P706 HydrophobicContact CE1-CG 4.04Å; Y704-P706 WeakPolarHBondContact O-CD 3.44Å
705K81.3Confident75.6Confident200 Ų200118.3 Ų118.387%0.8760%0.596SS**  trans-102.685.2178-164.6166.6-169163.50110.4G703 D707G703-K705 PolarHBondContact O-N 3.38Å; K705-D707 PolarHBondContact O-N 3Å; K705-D707 VanDerWaalsContact O-N 3.16Å
706P83.8Confident77.5Confident66 Ų66118 Ų11843%0.42959%0.594SS.*  trans-66.9116.9-178.627.1-34.1000110.6Y704 V708Y704-P706 HydrophobicContact CD1-CB 4.24Å; Y704-P706 HydrophobicContact CD1-CG 4.18Å; Y704-P706 HydrophobicContact CE1-CB 3.66Å; Y704-P706 HydrophobicContact CE1-CG 4.04Å; Y704-P706 WeakPolarHBondContact O-CD 3.44Å; P706-V708 HydrophobicContact CB-CG2 3.83Å; P706-V708 HydrophobicContact CG-CG2 4.11Å; P706-V708 PolarHBondContact O-N 3.06Å
707D82.9Confident78.8Confident107 Ų107113.6 Ų113.657%0.57259%0.587SS**  trans-72.981.7166.1-177.8-7.1000108.1K705 K709K705-D707 PolarHBondContact O-N 3Å; K705-D707 VanDerWaalsContact O-N 3.16Å; D707-K709 VanDerWaalsContact O-CG 3.28Å; D707-K709 WeakPolarHBondContact O-CG 3.37Å; D707-K709 PolarHBondContact O-N 2.93Å; D707-K709 VanDerWaalsContact O-N 3.15Å; D707-K709 WeakPolarHBondContact OD1-CE 3.3Å; D707-K709 IonicContact OD1-NZ 3.77Å; D707-K709 WeakPolarHBondContact OD2-CE 3.36Å; D707-K709 IonicContact OD2-NZ 3.66Å; D707-K709 PolarHBondContact OD2-NZ 3.49Å
708V86.1Confident80.6Confident104 Ų104112.7 Ų112.763%0.6358%0.576SS**  trans-74.3102.2-172.8-178.10000111.1P706 I710P706-V708 HydrophobicContact CB-CG2 3.83Å; P706-V708 HydrophobicContact CG-CG2 4.11Å; P706-V708 PolarHBondContact O-N 3.06Å; V708-I710 HydrophobicContact CG1-CG1 4.14Å; V708-I710 PolarHBondContact O-N 2.91Å; V708-I710 VanDerWaalsContact O-N 3.13Å
709K87.2Confident82.2Confident95 Ų95112 Ų11241%0.41357%0.573SS.*  trans-89.372.7-172.8-57.1-166172.2169.20112.7K666 D707 E711K666-K709 HydrophobicContact CD-CD 3.89Å; K666-K709 HydrophobicContact CD-CG 4.39Å; K666-K709 VanDerWaalsContact CE-CD 3.47Å; K666-K709 VanDerWaalsContact CE-CG 3.48Å; K666-K709 VanDerWaalsContact NZ-CB 3.27Å; D707-K709 VanDerWaalsContact O-CG 3.28Å; D707-K709 WeakPolarHBondContact O-CG 3.37Å; D707-K709 PolarHBondContact O-N 2.93Å; D707-K709 VanDerWaalsContact O-N 3.15Å; D707-K709 WeakPolarHBondContact OD1-CE 3.3Å; D707-K709 IonicContact OD1-NZ 3.77Å; D707-K709 WeakPolarHBondContact OD2-CE 3.36Å; D707-K709 IonicContact OD2-NZ 3.66Å; D707-K709 PolarHBondContact OD2-NZ 3.49Å; K709-E711 PolarHBondContact O-N 3.35Å
710I88.3Confident83.5Confident123 Ų123107.5 Ų107.563%0.63155%0.554SS**  trans-62.5103.3172.2-52.4-179.3000109.7V708 Y712V708-I710 HydrophobicContact CG1-CG1 4.14Å; V708-I710 PolarHBondContact O-N 2.91Å; V708-I710 VanDerWaalsContact O-N 3.13Å; I710-Y712 HydrophobicContact CG2-CE2 4.5Å
711E89.8Confident84.8Confident73 Ų73102.3 Ų102.334%0.34154%0.535SS..  trans-137.4114.7-178.1-72.6178.7-156.900110.8K666 K709 V713 K719K666-E711 VanDerWaalsContact CD-OE1 3.26Å; K666-E711 WeakPolarHBondContact CD-OE1 3.34Å; K666-E711 IonicContact NZ-OE1 2.7Å; K666-E711 PolarHBondContact NZ-OE1 3Å; K709-E711 PolarHBondContact O-N 3.35Å; E711-V713 PolarHBondContact O-N 2.94Å; E711-K719 HydrophobicContact CB-CD 4.33Å; E711-K719 WeakPolarHBondContact OE2-CD 3.16Å; E711-K719 VanDerWaalsContact OE2-CE 3.27Å; E711-K719 WeakPolarHBondContact OE2-CE 3.4Å; E711-K719 IonicContact OE2-NZ 3.72Å; E711-K719 PolarHBondContact OE2-NZ 3.25Å
712Y91.9Very high85.8Confident140 Ų140101.6 Ų101.655%0.54954%0.542SS..  trans-76.4125.9175.5-53.4-70.4000110.4I710 K719 L720 A725I710-Y712 HydrophobicContact CG2-CE2 4.5Å; Y712-K719 WeakPolarHBondContact O-CA 3.34Å; Y712-L720 PolarHBondContact O-N 2.82Å; Y712-A725 VanDerWaalsContact CB-CB 3.48Å; Y712-A725 HydrophobicContact CD1-CB 4.04Å; Y712-A725 HydrophobicContact CD2-CB 3.65Å; Y712-A725 HydrophobicContact CE2-CB 4.43Å; Y712-A725 HydrophobicContact CG-CB 3.43Å; Y712-A725 VanDerWaalsContact CG-CB 3.43Å
713V92.1Very high86.9Confident70 Ų70101.2 Ų101.242%0.42453%0.533SS..BIsolated β-bridgetrans-122155.1176.4-72.10000110.7E711 R718 K719E711-V713 PolarHBondContact O-N 2.94Å; V713-R718 WeakPolarHBondContact CA-O 3.47Å; V713-K719 HydrophobicContact CG1-CD 3.79Å
714D88.1Confident87.6Confident26 Ų2699.1 Ų99.114%0.13950%0.501CS..  trans-95.7177.9164.862.331.6000112.2T716 G717 R718 L720D714-T716 PolarHBondContact O-N 3.39Å; D714-T716 WeakPolarHBondContact OD1-CA 3.46Å; D714-T716 WeakPolarHBondContact OD1-CB 3.33Å; D714-T716 PolarHBondContact OD1-N 2.73Å; D714-T716 PolarHBondContact OD1-OG1 3.27Å; D714-G717 PolarHBondContact O-N 2.73Å; D714-G717 PolarHBondContact OD1-N 2.87Å; D714-R718 PolarHBondContact N-O 2.86Å; D714-R718 VanDerWaalsContact N-O 3.16Å; D714-R718 PolarHBondContact OD1-N 2.91Å; D714-L720 HydrophobicContact CB-CD1 3.6Å; D714-L720 HydrophobicContact CB-CD2 4.5Å; D714-L720 VanDerWaalsContact OD2-CD1 3.3Å; D714-L720 WeakPolarHBondContact OD2-CD1 3.44Å
715E88Confident88.1Confident179 Ų17993.2 Ų93.284%0.83648%0.479SS*.THydrogen-bonded Turntrans-58.6-9.2176.8-65.6157.9-15900113.4
716T85.5Confident88.6Confident117 Ų11790.7 Ų90.772%0.71847%0.469SS*.THydrogen-bonded Turntrans-104.85.6174.7730000113.4D714 R718D714-T716 PolarHBondContact O-N 3.39Å; D714-T716 WeakPolarHBondContact OD1-CA 3.46Å; D714-T716 WeakPolarHBondContact OD1-CB 3.33Å; D714-T716 PolarHBondContact OD1-N 2.73Å; D714-T716 PolarHBondContact OD1-OG1 3.27Å; T716-R718 PolarHBondContact O-N 3.41Å
717G84.9Confident89Confident50 Ų5091 Ų9152%0.51546%0.461SS..  trans74.82.5-17800000114.5D714 K719D714-G717 PolarHBondContact O-N 2.73Å; D714-G717 PolarHBondContact OD1-N 2.87Å; G717-K719 PolarHBondContact O-N 3.41Å
718R87.5Confident89.4Confident87 Ų8788.9 Ų88.933%0.32845%0.448SS..PPolyproline II helixtrans-69.1131177.1169.9-178.8172.7145.2-3.7109.6V713 D714 T716 L720 L750 E753V713-R718 WeakPolarHBondContact CA-O 3.47Å; D714-R718 PolarHBondContact N-O 2.86Å; D714-R718 VanDerWaalsContact N-O 3.16Å; D714-R718 PolarHBondContact OD1-N 2.91Å; T716-R718 PolarHBondContact O-N 3.41Å; R718-L720 WeakPolarHBondContact O-CD1 3.4Å; R718-L720 PolarHBondContact O-N 2.85Å; R718-L750 VanDerWaalsContact NH1-CD2 3.29Å; R718-E753 IonicContact CZ-OE2 3.2Å; R718-E753 IonicContact NH1-OE2 2.73Å; R718-E753 PolarHBondContact NH1-OE2 3.01Å; R718-E753 IonicContact NH2-OE2 2.73Å; R718-E753 PolarHBondContact NH2-OE2 2.94Å
719K89.3Confident89.7Confident122 Ų12289.4 Ų89.453%0.5345%0.447SS..BIsolated β-bridgetrans-66.2125.3172-54-67.5160.2175.80109.4E711 Y712 V713 G717E711-K719 HydrophobicContact CB-CD 4.33Å; E711-K719 WeakPolarHBondContact OE2-CD 3.16Å; E711-K719 VanDerWaalsContact OE2-CE 3.27Å; E711-K719 WeakPolarHBondContact OE2-CE 3.4Å; E711-K719 IonicContact OE2-NZ 3.72Å; E711-K719 PolarHBondContact OE2-NZ 3.25Å; Y712-K719 WeakPolarHBondContact O-CA 3.34Å; V713-K719 HydrophobicContact CG1-CD 3.79Å; G717-K719 PolarHBondContact O-N 3.41Å
720L89.6Confident89.9Confident25 Ų2586.2 Ų86.213%0.13144%0.437CS..PPolyproline II helixtrans-89.7146.6-173.6-108.962.6000112.7Y712 D714 R718 E724 A725 Q728Y712-L720 PolarHBondContact O-N 2.82Å; D714-L720 HydrophobicContact CB-CD1 3.6Å; D714-L720 HydrophobicContact CB-CD2 4.5Å; D714-L720 VanDerWaalsContact OD2-CD1 3.3Å; D714-L720 WeakPolarHBondContact OD2-CD1 3.44Å; R718-L720 WeakPolarHBondContact O-CD1 3.4Å; R718-L720 PolarHBondContact O-N 2.85Å; L720-E724 HydrophobicContact CD2-CB 3.97Å; L720-E724 HydrophobicContact CG-CB 3.95Å; L720-A725 HydrophobicContact CB-CB 4.35Å; L720-Q728 HydrophobicContact CD2-CG 4.19Å
721T90.7Very high90.1Very high65 Ų6582.5 Ų82.540%0.39942%0.416SS..PPolyproline II helixtrans-65.3147.3165.269.60000109.2K723 E724 A725T721-K723 PolarHBondContact O-N 3.29Å; T721-K723 VanDerWaalsContact O-N 3.11Å; T721-E724 WeakPolarHBondContact CG2-OE2 3.39Å; T721-E724 WeakPolarHBondContact O-CA 3.28Å; T721-E724 PolarHBondContact O-N 3.4Å; T721-E724 WeakPolarHBondContact OG1-CB 3.41Å; T721-E724 WeakPolarHBondContact OG1-CG 3.42Å; T721-E724 PolarHBondContact OG1-N 2.95Å; T721-E724 PolarHBondContact OG1-OE2 3.26Å; T721-A725 PolarHBondContact O-N 3.4Å
722P89.9Confident90.2Very high104 Ų10488.4 Ų88.468%0.67544%0.436SS*.Hα-helixtrans-58.8-30.4-179.120.9-32.7000112.5E724 F726P722-E724 VanDerWaalsContact C-N 3.27Å; P722-E724 PolarHBondContact O-N 2.73Å; P722-F726 VanDerWaalsContact O-CB 3.3Å; P722-F726 WeakPolarHBondContact O-CB 3.46Å; P722-F726 PolarHBondContact O-N 3.01Å
723K91.1Very high90.3Very high157 Ų15789.9 Ų89.968%0.68345%0.445SS*.Hα-helixtrans-68.2-21.5174-172.7171.7-174.6169.80113.9T721 R727T721-K723 PolarHBondContact O-N 3.29Å; T721-K723 VanDerWaalsContact O-N 3.11Å; K723-R727 WeakPolarHBondContact O-CB 3.47Å
724E89.1Confident90.2Very high38 Ų3892.2 Ų92.218%0.17845%0.451CS..Hα-helixtrans-96.1-37.3176.1-75.8166146.700111.7L720 T721 P722 R727 Q728L720-E724 HydrophobicContact CD2-CB 3.97Å; L720-E724 HydrophobicContact CG-CB 3.95Å; T721-E724 WeakPolarHBondContact CG2-OE2 3.39Å; T721-E724 WeakPolarHBondContact O-CA 3.28Å; T721-E724 PolarHBondContact O-N 3.4Å; T721-E724 WeakPolarHBondContact OG1-CB 3.41Å; T721-E724 WeakPolarHBondContact OG1-CG 3.42Å; T721-E724 PolarHBondContact OG1-N 2.95Å; T721-E724 PolarHBondContact OG1-OE2 3.26Å; P722-E724 VanDerWaalsContact C-N 3.27Å; P722-E724 PolarHBondContact O-N 2.73Å; E724-R727 WeakPolarHBondContact O-CB 3.46Å; E724-R727 PolarHBondContact O-N 3.25Å; E724-R727 VanDerWaalsContact O-N 3.14Å; E724-R727 IonicContact OE1-NH1 2.75Å; E724-Q728 PolarHBondContact O-N 2.87Å
725A92.4Very high90.4Very high9 Ų994.2 Ų94.27%0.07448%0.478CS..Hα-helixtrans-58.7-53.817100000111.1Y712 L720 T721 R727 Q728 L729Y712-A725 VanDerWaalsContact CB-CB 3.48Å; Y712-A725 HydrophobicContact CD1-CB 4.04Å; Y712-A725 HydrophobicContact CD2-CB 3.65Å; Y712-A725 HydrophobicContact CE2-CB 4.43Å; Y712-A725 HydrophobicContact CG-CB 3.43Å; Y712-A725 VanDerWaalsContact CG-CB 3.43Å; L720-A725 HydrophobicContact CB-CB 4.35Å; T721-A725 PolarHBondContact O-N 3.4Å; A725-R727 PolarHBondContact O-N 2.81Å; A725-Q728 PolarHBondContact O-N 3.12Å; A725-Q728 VanDerWaalsContact O-N 3.13Å; A725-L729 WeakPolarHBondContact O-CB 3.5Å; A725-L729 PolarHBondContact O-N 3.32Å
726F92.6Very high90.6Very high148 Ų14893.6 Ų93.665%0.64947%0.473SS*.Hα-helixtrans-57-33.8173.7-179.8-96.3000112.2P722 S730P722-F726 VanDerWaalsContact O-CB 3.3Å; P722-F726 WeakPolarHBondContact O-CB 3.46Å; P722-F726 PolarHBondContact O-N 3.01Å; F726-S730 VanDerWaalsContact O-CB 3.32Å; F726-S730 WeakPolarHBondContact O-CB 3.49Å; F726-S730 PolarHBondContact O-N 3.09Å; F726-S730 PolarHBondContact O-OG 3.16Å
727R91.9Very high90.8Very high72 Ų7291 Ų9127%0.27247%0.469SS..Hα-helixtrans-71.5-41.6178-167-171.4-60131.85.5112.1K723 E724 A725 S730 H731K723-R727 WeakPolarHBondContact O-CB 3.47Å; E724-R727 WeakPolarHBondContact O-CB 3.46Å; E724-R727 PolarHBondContact O-N 3.25Å; E724-R727 VanDerWaalsContact O-N 3.14Å; E724-R727 IonicContact OE1-NH1 2.75Å; A725-R727 PolarHBondContact O-N 2.81Å; R727-S730 WeakPolarHBondContact CA-OG 3.4Å; R727-S730 PolarHBondContact O-N 2.86Å; R727-S730 PolarHBondContact O-OG 3.34Å; R727-H731 VanDerWaalsContact O-CG 3.24Å; R727-H731 PolarHBondContact O-N 3.39Å; R727-H731 PolarHBondContact O-ND1 2.98Å
728Q91.2Very high91.1Very high62 Ų6290.1 Ų90.129%0.2946%0.455SS..Hα-helixtrans-60.9-47.9172.1-79.6-179.2-19.700110.7L720 E724 A725 S730 H731 R732L720-Q728 HydrophobicContact CD2-CG 4.19Å; E724-Q728 PolarHBondContact O-N 2.87Å; A725-Q728 PolarHBondContact O-N 3.12Å; A725-Q728 VanDerWaalsContact O-N 3.13Å; Q728-S730 VanDerWaalsContact C-N 3.35Å; Q728-S730 PolarHBondContact O-N 3.26Å; Q728-H731 PolarHBondContact O-N 2.82Å; Q728-H731 VanDerWaalsContact O-N 3.15Å; Q728-R732 PolarHBondContact O-N 3.02Å
729L92.2Very high91.3Very high115 Ų11588.4 Ų88.460%0.60247%0.465SS*.Hα-helixtrans-56.2-46.8175.2-174.462.4000111.4A725 H731 R732 F733A725-L729 WeakPolarHBondContact O-CB 3.5Å; A725-L729 PolarHBondContact O-N 3.32Å; L729-H731 PolarHBondContact O-N 3.43Å; L729-R732 PolarHBondContact O-N 3.27Å; L729-F733 VanDerWaalsContact O-CB 3.3Å; L729-F733 WeakPolarHBondContact O-CB 3.24Å; L729-F733 PolarHBondContact O-N 2.95Å
730S91.9Very high91.4Very high29 Ų2990 Ų9020%0.20347%0.472CS..Hα-helixtrans-64.9-33.8177.275.20000113.7F726 R727 Q728 H734F726-S730 VanDerWaalsContact O-CB 3.32Å; F726-S730 WeakPolarHBondContact O-CB 3.49Å; F726-S730 PolarHBondContact O-N 3.09Å; F726-S730 PolarHBondContact O-OG 3.16Å; R727-S730 WeakPolarHBondContact CA-OG 3.4Å; R727-S730 PolarHBondContact O-N 2.86Å; R727-S730 PolarHBondContact O-OG 3.34Å; Q728-S730 VanDerWaalsContact C-N 3.35Å; Q728-S730 PolarHBondContact O-N 3.26Å; S730-H734 WeakPolarHBondContact O-CB 3.27Å; S730-H734 PolarHBondContact O-CD2 2.87Å; S730-H734 VanDerWaalsContact O-CD2 3.25Å; S730-H734 PolarHBondContact O-N 2.92Å
731H91.9Very high91.5Very high44 Ų4494.1 Ų94.120%0.20449%0.492CS..Hα-helixtrans-69.9-38.9175.8-68.9159.9000111.2R727 Q728 L729 G735 K736 S738R727-H731 VanDerWaalsContact O-CG 3.24Å; R727-H731 PolarHBondContact O-N 3.39Å; R727-H731 PolarHBondContact O-ND1 2.98Å; Q728-H731 PolarHBondContact O-N 2.82Å; Q728-H731 VanDerWaalsContact O-N 3.15Å; L729-H731 PolarHBondContact O-N 3.43Å; H731-G735 CarbonylContact O-C 3.59Å; H731-G735 WeakPolarHBondContact O-CA 3.44Å; H731-G735 PolarHBondContact O-N 2.82Å; H731-G735 VanDerWaalsContact O-N 3.16Å; H731-K736 PolarHBondContact CD2-O 3.04Å; H731-K736 PolarHBondContact O-N 2.96Å; H731-K736 VanDerWaalsContact O-N 3.14Å; H731-S738 PolarHBondContact CE1-OG 3.49Å; H731-S738 PolarHBondContact NE2-N 2.95Å; H731-S738 PolarHBondContact NE2-OG 3.13Å
732R92.6Very high91.5Very high198 Ų19898.1 Ų98.175%0.74750%0.504SS*.Hα-helixtrans-65.8-53174.4-70.8-77.1-177.9150-1.9110Q728 L729 H734 G735Q728-R732 PolarHBondContact O-N 3.02Å; L729-R732 PolarHBondContact O-N 3.27Å; R732-H734 PolarHBondContact O-N 2.88Å; R732-G735 PolarHBondContact O-N 2.81Å; R732-G735 VanDerWaalsContact O-N 3.11Å
733F93.3Very high91.4Very high170 Ų17096.1 Ų96.175%0.74649%0.489SS*.Hα-helixtrans-57.3-45.1179.7-179.8-102.6000113.6L729 G735L729-F733 VanDerWaalsContact O-CB 3.3Å; L729-F733 WeakPolarHBondContact O-CB 3.24Å; L729-F733 PolarHBondContact O-N 2.95Å; F733-G735 VanDerWaalsContact C-N 3.34Å
734H91.4Very high91.4Very high119 Ų11992.9 Ų92.955%0.55148%0.477SS*.THydrogen-bonded Turntrans-85.8-0.2178.5-65.6-52.9000114.5S730 R732 K736S730-H734 WeakPolarHBondContact O-CB 3.27Å; S730-H734 PolarHBondContact O-CD2 2.87Å; S730-H734 VanDerWaalsContact O-CD2 3.25Å; S730-H734 PolarHBondContact O-N 2.92Å; R732-H734 PolarHBondContact O-N 2.88Å; H734-K736 HydrophobicContact CB-CB 4.42Å; H734-K736 VanDerWaalsContact O-CG 3.32Å; H734-K736 WeakPolarHBondContact O-CG 3.29Å; H734-K736 PolarHBondContact O-N 3.44Å
735G92.3Very high91.6Very high69 Ų6999.5 Ų99.571%0.71150%0.5SS*.THydrogen-bonded Turntrans58.813.5-17400000114.9H731 R732 F733H731-G735 CarbonylContact O-C 3.59Å; H731-G735 WeakPolarHBondContact O-CA 3.44Å; H731-G735 PolarHBondContact O-N 2.82Å; H731-G735 VanDerWaalsContact O-N 3.16Å; R732-G735 PolarHBondContact O-N 2.81Å; R732-G735 VanDerWaalsContact O-N 3.11Å; F733-G735 VanDerWaalsContact C-N 3.34Å
736K92.1Very high91.4Very high165 Ų165102 Ų10272%0.71751%0.508SS*.  trans-126.397.7-166.2-75.8165.8-172.6171.20110.1H731 H734H731-K736 PolarHBondContact CD2-O 3.04Å; H731-K736 PolarHBondContact O-N 2.96Å; H731-K736 VanDerWaalsContact O-N 3.14Å; H734-K736 HydrophobicContact CB-CB 4.42Å; H734-K736 VanDerWaalsContact O-CG 3.32Å; H734-K736 WeakPolarHBondContact O-CG 3.29Å; H734-K736 PolarHBondContact O-N 3.44Å
737G88.7Confident91.2Very high63 Ų63100.2 Ų100.265%0.64950%0.502SS*.PPolyproline II helixtrans-68.3166176.500000113.8
738S90.9Very high91.2Very high32 Ų32102.9 Ų102.922%0.22452%0.516CS..PPolyproline II helixtrans-66.9131.1167.7-77.70000110.8H731 T743H731-S738 PolarHBondContact CE1-OG 3.49Å; H731-S738 PolarHBondContact NE2-N 2.95Å; H731-S738 PolarHBondContact NE2-OG 3.13Å; S738-T743 WeakPolarHBondContact O-CG2 3.28Å
739G91.9Very high91.2Very high51 Ų51105 Ų10553%0.52652%0.524SS..PPolyproline II helixtrans-63.7154.5177.500000114M741 K742 T743G739-M741 PolarHBondContact O-N 2.96Å; G739-M741 VanDerWaalsContact O-N 3.14Å; G739-K742 WeakPolarHBondContact O-CA 3.28Å; G739-K742 WeakPolarHBondContact O-CB 3.03Å; G739-K742 PolarHBondContact O-N 3.37Å; G739-T743 PolarHBondContact O-N 3.43Å
740K91.8Very high91Very high155 Ų155101.4 Ų101.467%0.67451%0.505SS*.Hα-helixtrans-39.7-53.5-167.9-176.4167174.9172.40116.3K742 T743 E744K740-K742 PolarHBondContact O-N 3.02Å; K740-T743 WeakPolarHBondContact CA-OG1 3.16Å; K740-T743 PolarHBondContact O-N 2.91Å; K740-T743 PolarHBondContact O-OG1 2.94Å; K740-E744 WeakPolarHBondContact CE-OE1 3.49Å; K740-E744 HydrophobicContact CG-CG 4.16Å; K740-E744 WeakPolarHBondContact CG-OE1 3.48Å; K740-E744 IonicContact NZ-OE1 3.89Å; K740-E744 WeakPolarHBondContact O-CG 3.5Å; K740-E744 PolarHBondContact O-N 3.35Å
741M91.4Very high90.8Very high112 Ų112104.5 Ų104.555%0.55252%0.52SS*.Hα-helixtrans-58.8-23.6178.3176.163.261.900114G739 R745G739-M741 PolarHBondContact O-N 2.96Å; G739-M741 VanDerWaalsContact O-N 3.14Å; M741-R745 WeakPolarHBondContact O-CB 3.48Å; M741-R745 WeakPolarHBondContact O-CD 3.34Å; M741-R745 WeakPolarHBondContact O-CG 3.45Å; M741-R745 HydrophobicContact SD-CG 4.43Å; M741-R745 PolarHBondContact SD-NE 3.25Å; M741-R745 PolarHBondContact SD-NH2 3.29Å
742K90.8Very high90.5Very high149 Ų149107.1 Ų107.165%0.64853%0.532SS*.Hα-helixtrans-88.5-27175-67.1-177.8179.4177.50113.1G739 K740 R746G739-K742 WeakPolarHBondContact O-CA 3.28Å; G739-K742 WeakPolarHBondContact O-CB 3.03Å; G739-K742 PolarHBondContact O-N 3.37Å; K740-K742 PolarHBondContact O-N 3.02Å; K742-R746 PolarHBondContact O-N 3.18Å
743T88.3Confident90.2Very high61 Ų61100.4 Ų100.437%0.37451%0.509SS..Hα-helixtrans-78.9-44.8173.750.40000110.8S738 G739 K740 R745 R746 M747S738-T743 WeakPolarHBondContact O-CG2 3.28Å; G739-T743 PolarHBondContact O-N 3.43Å; K740-T743 WeakPolarHBondContact CA-OG1 3.16Å; K740-T743 PolarHBondContact O-N 2.91Å; K740-T743 PolarHBondContact O-OG1 2.94Å; T743-R745 VanDerWaalsContact C-N 3.35Å; T743-R745 PolarHBondContact O-N 3.27Å; T743-R746 WeakPolarHBondContact O-CA 3.3Å; T743-R746 PolarHBondContact O-N 3.34Å; T743-M747 PolarHBondContact O-N 3.1Å
744E91.5Very high89.9Confident90 Ų9094.3 Ų94.342%0.42149%0.49SS..Hα-helixtrans-55.4-46.7174-69.6169.815600112K740 R746 M747 K748K740-E744 WeakPolarHBondContact CE-OE1 3.49Å; K740-E744 HydrophobicContact CG-CG 4.16Å; K740-E744 WeakPolarHBondContact CG-OE1 3.48Å; K740-E744 IonicContact NZ-OE1 3.89Å; K740-E744 WeakPolarHBondContact O-CG 3.5Å; K740-E744 PolarHBondContact O-N 3.35Å; E744-R746 VanDerWaalsContact C-N 3.27Å; E744-R746 PolarHBondContact O-N 3.07Å; E744-M747 PolarHBondContact O-N 2.66Å; E744-K748 WeakPolarHBondContact O-CB 3.31Å; E744-K748 PolarHBondContact O-N 3.49Å
745R92.9Very high89.4Confident176 Ų17693 Ų9366%0.66449%0.487SS*.Hα-helixtrans-65-26.1174.7-74.2178.2-169.2-1523.1113.8M741 T743 K749M741-R745 WeakPolarHBondContact O-CB 3.48Å; M741-R745 WeakPolarHBondContact O-CD 3.34Å; M741-R745 WeakPolarHBondContact O-CG 3.45Å; M741-R745 HydrophobicContact SD-CG 4.43Å; M741-R745 PolarHBondContact SD-NE 3.25Å; M741-R745 PolarHBondContact SD-NH2 3.29Å; T743-R745 VanDerWaalsContact C-N 3.35Å; T743-R745 PolarHBondContact O-N 3.27Å; R745-K749 WeakPolarHBondContact O-CB 3.37Å; R745-K749 PolarHBondContact O-N 2.87Å
746R87.4Confident88.8Confident63 Ų6394.6 Ų94.624%0.23848%0.479CS..Hα-helixtrans-78.4-48.5174.2-168.8-177.6-53169.511.4110.7K742 T743 E744 K748 K749 L750K742-R746 PolarHBondContact O-N 3.18Å; T743-R746 WeakPolarHBondContact O-CA 3.3Å; T743-R746 PolarHBondContact O-N 3.34Å; E744-R746 VanDerWaalsContact C-N 3.27Å; E744-R746 PolarHBondContact O-N 3.07Å; R746-K748 VanDerWaalsContact C-N 3.33Å; R746-K748 PolarHBondContact O-N 3.2Å; R746-K749 CarbonylContact O-C 3.56Å; R746-K749 WeakPolarHBondContact O-CA 3.22Å; R746-K749 PolarHBondContact O-N 3.38Å; R746-L750 HydrophobicContact CG-CD1 4.21Å; R746-L750 HydrophobicContact CG-CG 4.29Å; R746-L750 WeakPolarHBondContact O-CG 3.36Å; R746-L750 PolarHBondContact O-N 3.08Å
747M88.4Confident88.3Confident109 Ų10996 Ų9654%0.53748%0.484SS..Hα-helixtrans-51.5-54.4175.3-68.3-57.4-65.200109.9T743 E744 K749 L750 D751T743-M747 PolarHBondContact O-N 3.1Å; E744-M747 PolarHBondContact O-N 2.66Å; M747-K749 PolarHBondContact O-N 3.04Å; M747-K749 VanDerWaalsContact O-N 3.12Å; M747-L750 CarbonylContact O-C 3.55Å; M747-L750 WeakPolarHBondContact O-CA 3.25Å; M747-L750 WeakPolarHBondContact O-CB 3.18Å; M747-L750 PolarHBondContact O-N 3.48Å; M747-L750 HydrophobicContact SD-CD1 4.5Å; M747-D751 VanDerWaalsContact C-OD2 3.25Å; M747-D751 PolarHBondContact O-N 2.58Å
748K92.1Very high88Confident128 Ų128101.3 Ų101.356%0.55749%0.49SS*.Hα-helixtrans-56.2-35.2177.6-167.2173.2-167.8-740113.7E744 R746 E752E744-K748 WeakPolarHBondContact O-CB 3.31Å; E744-K748 PolarHBondContact O-N 3.49Å; R746-K748 VanDerWaalsContact C-N 3.33Å; R746-K748 PolarHBondContact O-N 3.2Å; K748-E752 IonicContact NZ-OE1 2.58Å; K748-E752 PolarHBondContact NZ-OE1 2.78Å; K748-E752 VanDerWaalsContact O-CB 3.28Å; K748-E752 WeakPolarHBondContact O-CB 3.48Å; K748-E752 WeakPolarHBondContact O-CG 3.43Å; K748-E752 PolarHBondContact O-N 3.33Å
749K90.7Very high87.1Confident108 Ų108103 Ų10347%0.4750%0.495SS..Hα-helixtrans-72.7-35.4175.1-175.8170.6-177-74.70112.6R745 R746 M747 E753R745-K749 WeakPolarHBondContact O-CB 3.37Å; R745-K749 PolarHBondContact O-N 2.87Å; R746-K749 CarbonylContact O-C 3.56Å; R746-K749 WeakPolarHBondContact O-CA 3.22Å; R746-K749 PolarHBondContact O-N 3.38Å; M747-K749 PolarHBondContact O-N 3.04Å; M747-K749 VanDerWaalsContact O-N 3.12Å; K749-E753 IonicContact NZ-OE1 2.53Å; K749-E753 PolarHBondContact NZ-OE1 3.42Å; K749-E753 WeakPolarHBondContact O-CB 3.4Å; K749-E753 VanDerWaalsContact O-CG 3.28Å; K749-E753 WeakPolarHBondContact O-CG 2.85Å; K749-E753 PolarHBondContact O-N 3.28Å
750L88.2Confident85.7Confident39 Ų39104.7 Ų104.720%0.20450%0.499CS..Hα-helixtrans-67.8-40.7172.6-63.1172.7000110.6R718 R746 M747 E753 A754R718-L750 VanDerWaalsContact NH1-CD2 3.29Å; R746-L750 HydrophobicContact CG-CD1 4.21Å; R746-L750 HydrophobicContact CG-CG 4.29Å; R746-L750 WeakPolarHBondContact O-CG 3.36Å; R746-L750 PolarHBondContact O-N 3.08Å; M747-L750 CarbonylContact O-C 3.55Å; M747-L750 WeakPolarHBondContact O-CA 3.25Å; M747-L750 WeakPolarHBondContact O-CB 3.18Å; M747-L750 PolarHBondContact O-N 3.48Å; M747-L750 HydrophobicContact SD-CD1 4.5Å; L750-E753 PolarHBondContact O-N 3.17Å; L750-A754 WeakPolarHBondContact O-CB 2.78Å; L750-A754 PolarHBondContact O-N 3.2Å
751D87.4Confident84.3Confident93 Ų93103.8 Ų103.850%0.49751%0.512SS..Hα-helixtrans-64.6-44.2175.2-57.9-40000111.4M747 A754 L755M747-D751 VanDerWaalsContact C-OD2 3.25Å; M747-D751 PolarHBondContact O-N 2.58Å; D751-A754 PolarHBondContact O-N 3.05Å; D751-L755 VanDerWaalsContact O-CB 3.25Å; D751-L755 WeakPolarHBondContact O-CB 3.46Å; D751-L755 PolarHBondContact O-N 2.84Å
752E86.8Confident83Confident99 Ų99102.4 Ų102.446%0.46351%0.513SS..Hα-helixtrans-62.3-44.2174.1-78.7166.6-179.900112K748 L756K748-E752 IonicContact NZ-OE1 2.58Å; K748-E752 PolarHBondContact NZ-OE1 2.78Å; K748-E752 VanDerWaalsContact O-CB 3.28Å; K748-E752 WeakPolarHBondContact O-CB 3.48Å; K748-E752 WeakPolarHBondContact O-CG 3.43Å; K748-E752 PolarHBondContact O-N 3.33Å; E752-L756 VanDerWaalsContact O-CB 3.22Å; E752-L756 WeakPolarHBondContact O-CB 3.17Å; E752-L756 PolarHBondContact O-N 2.69Å
753E86.1Confident81.8Confident57 Ų5797.1 Ų97.127%0.26649%0.492SS..Hα-helixtrans-66.7-39175.1-77.2174.5-17500112.6R718 K749 L750 K757R718-E753 IonicContact CZ-OE2 3.2Å; R718-E753 IonicContact NH1-OE2 2.73Å; R718-E753 PolarHBondContact NH1-OE2 3.01Å; R718-E753 IonicContact NH2-OE2 2.73Å; R718-E753 PolarHBondContact NH2-OE2 2.94Å; K749-E753 IonicContact NZ-OE1 2.53Å; K749-E753 PolarHBondContact NZ-OE1 3.42Å; K749-E753 WeakPolarHBondContact O-CB 3.4Å; K749-E753 VanDerWaalsContact O-CG 3.28Å; K749-E753 WeakPolarHBondContact O-CG 2.85Å; K749-E753 PolarHBondContact O-N 3.28Å; L750-E753 PolarHBondContact O-N 3.17Å; E753-K757 VanDerWaalsContact O-CB 3.31Å; E753-K757 WeakPolarHBondContact O-CB 3.47Å; E753-K757 PolarHBondContact O-N 2.76Å
754A86Confident80.9Confident43 Ų4396.7 Ų96.736%0.35549%0.489SS..Hα-helixtrans-70.3-35.4177.500000112L750 D751 K758L750-A754 WeakPolarHBondContact O-CB 2.78Å; L750-A754 PolarHBondContact O-N 3.2Å; D751-A754 PolarHBondContact O-N 3.05Å; A754-K758 WeakPolarHBondContact O-CB 3.34Å; A754-K758 WeakPolarHBondContact O-CD 3.4Å; A754-K758 WeakPolarHBondContact O-CG 3.45Å; A754-K758 PolarHBondContact O-N 3.38Å
755L82.4Confident79.4Confident92 Ų9295.9 Ų95.948%0.48249%0.492SS..Hα-helixtrans-68.5-48.4172.3-177.362.4000110.5D751 K757 K758 M759D751-L755 VanDerWaalsContact O-CB 3.25Å; D751-L755 WeakPolarHBondContact O-CB 3.46Å; D751-L755 PolarHBondContact O-N 2.84Å; L755-K757 VanDerWaalsContact C-N 3.3Å; L755-K757 PolarHBondContact O-N 3.42Å; L755-K758 WeakPolarHBondContact O-CB 3.49Å; L755-K758 PolarHBondContact O-N 3.07Å; L755-M759 HydrophobicContact CD1-SD 4.42Å; L755-M759 HydrophobicContact CG-SD 4.2Å; L755-M759 WeakPolarHBondContact O-CG 3.27Å; L755-M759 PolarHBondContact O-N 3.4Å; L755-M759 VanDerWaalsContact O-N 3.17Å
756L78.2Confident78.1Confident102 Ų10294.3 Ų94.353%0.53450%0.496SS..Hα-helixtrans-57-42.8177.2-170.471.8000111.7E752 K758 M759 P765E752-L756 VanDerWaalsContact O-CB 3.22Å; E752-L756 WeakPolarHBondContact O-CB 3.17Å; E752-L756 PolarHBondContact O-N 2.69Å; L756-K758 VanDerWaalsContact C-N 3.3Å; L756-K758 PolarHBondContact O-N 3.41Å; L756-M759 PolarHBondContact O-N 2.84Å; L756-P765 HydrophobicContact CD1-CG 4.3Å
757K82.9Confident77.2Confident193 Ų19392.4 Ų92.484%0.83950%0.496SS*.Hα-helixtrans-70.8-20.3176.9-171.8173.4179.8-1770113.8E753 L755E753-K757 VanDerWaalsContact O-CB 3.31Å; E753-K757 WeakPolarHBondContact O-CB 3.47Å; E753-K757 PolarHBondContact O-N 2.76Å; L755-K757 VanDerWaalsContact C-N 3.3Å; L755-K757 PolarHBondContact O-N 3.42Å
758K82.3Confident76.5Confident175 Ų17589.7 Ų89.776%0.76149%0.486SS*.Hα-helixtrans-85.6-13.6174-75.5168.1-175.2178.70113.1A754 L755 L756A754-K758 WeakPolarHBondContact O-CB 3.34Å; A754-K758 WeakPolarHBondContact O-CD 3.4Å; A754-K758 WeakPolarHBondContact O-CG 3.45Å; A754-K758 PolarHBondContact O-N 3.38Å; L755-K758 WeakPolarHBondContact O-CB 3.49Å; L755-K758 PolarHBondContact O-N 3.07Å; L756-K758 VanDerWaalsContact C-N 3.3Å; L756-K758 PolarHBondContact O-N 3.41Å
759M70.9Confident75.7Confident69 Ų6985.9 Ų85.934%0.3447%0.473SS..SBendtrans-92146.8-179.3-69.1-179.272.200111.3L755 L756 T764 P765L755-M759 HydrophobicContact CD1-SD 4.42Å; L755-M759 HydrophobicContact CG-SD 4.2Å; L755-M759 WeakPolarHBondContact O-CG 3.27Å; L755-M759 PolarHBondContact O-N 3.4Å; L755-M759 VanDerWaalsContact O-N 3.17Å; L756-M759 PolarHBondContact O-N 2.84Å; M759-T764 VanDerWaalsContact CE-O 3.32Å; M759-T764 WeakPolarHBondContact CE-O 3.32Å; M759-P765 HydrophobicContact SD-CB 4.09Å
760S64.2Low75.2Confident85 Ų8583.3 Ų83.359%0.59447%0.472SS*.  trans-60.5143.8171.7175.20000110.6S762 D763S760-S762 WeakPolarHBondContact CB-OG 3.4Å; S760-S762 PolarHBondContact O-N 3.39Å; S760-S762 PolarHBondContact OG-OG 2.97Å; S760-D763 PolarHBondContact O-N 2.87Å
761S61.9Low74.8Confident137 Ų13784.2 Ų84.296%0.95848%0.477SS*.THydrogen-bonded Turntrans-57.3-4.8176.6-46.20000115.1
762S64.4Low74.5Confident82 Ų8282.5 Ų82.557%0.57347%0.467SS*.THydrogen-bonded Turntrans-92.4-13.1-174.658.50000115.7S760S760-S762 WeakPolarHBondContact CB-OG 3.4Å; S760-S762 PolarHBondContact O-N 3.39Å; S760-S762 PolarHBondContact OG-OG 2.97Å
763D65.4Low74.3Confident39 Ų3982 Ų8221%0.20947%0.465CS..SBendtrans-143.7154.8176.9-151.5-20.2000113.1S760 G767 T768 V769 A770S760-D763 PolarHBondContact O-N 2.87Å; D763-G767 VanDerWaalsContact OD1-C 3.25Å; D763-G767 WeakPolarHBondContact OD2-CA 3.31Å; D763-T768 PolarHBondContact OD1-N 2.99Å; D763-V769 HydrophobicContact CB-CB 4.22Å; D763-V769 HydrophobicContact CB-CG2 4.5Å; D763-V769 WeakPolarHBondContact OD1-CB 3.34Å; D763-V769 WeakPolarHBondContact OD1-CG2 3.17Å; D763-V769 PolarHBondContact OD1-N 3.09Å; D763-V769 PolarHBondContact OD2-N 3.37Å; D763-A770 WeakPolarHBondContact OD2-CB 3.31Å; D763-A770 PolarHBondContact OD2-N 2.78Å
764T69.4Low74.2Confident51 Ų5185.3 Ų85.331%0.31348%0.48SS..  trans-76.5160.8176.373.80000111M759 L766 G767 T768M759-T764 VanDerWaalsContact CE-O 3.32Å; M759-T764 WeakPolarHBondContact CE-O 3.32Å; T764-L766 PolarHBondContact O-N 2.88Å; T764-L766 PolarHBondContact OG1-N 3.01Å; T764-G767 PolarHBondContact O-N 3.28Å; T764-T768 VanDerWaalsContact CG2-OG1 3.31Å; T764-T768 WeakPolarHBondContact CG2-OG1 3.49Å; T764-T768 PolarHBondContact OG1-N 2.97Å; T764-T768 PolarHBondContact OG1-OG1 2.75Å
765P58.5Low74.1Confident74 Ų7487.1 Ų87.148%0.48148%0.48SS..THydrogen-bonded Turntrans-64.55.8173.827.1-36.8000115.3L756 M759L756-P765 HydrophobicContact CD1-CG 4.3Å; M759-P765 HydrophobicContact SD-CB 4.09Å
766L65.6Low74.3Confident142 Ų14285.7 Ų85.774%0.74347%0.471SS*.THydrogen-bonded Turntrans-113.67173.7-78.8158.5000112.6T764 T768T764-L766 PolarHBondContact O-N 2.88Å; T764-L766 PolarHBondContact OG1-N 3.01Å; L766-T768 HydrophobicContact CB-CG2 3.74Å; L766-T768 PolarHBondContact O-N 2.79Å
767G69.2Low74.7Confident24 Ų2488 Ų8825%0.24748%0.477CS..  trans63.220.9-179.700000113.9D763 T764 V769 A770 L771D763-G767 VanDerWaalsContact OD1-C 3.25Å; D763-G767 WeakPolarHBondContact OD2-CA 3.31Å; T764-G767 PolarHBondContact O-N 3.28Å; G767-V769 VanDerWaalsContact C-N 3.32Å; G767-V769 PolarHBondContact O-N 2.88Å; G767-A770 PolarHBondContact O-N 3.37Å; G767-L771 WeakPolarHBondContact O-CD1 3.32Å; G767-L771 WeakPolarHBondContact O-CG 3.44Å; G767-L771 PolarHBondContact O-N 2.88Å; G767-L771 VanDerWaalsContact O-N 3.14Å
768T72.9Confident74.9Confident52 Ų5282.7 Ų82.732%0.31947%0.469SS..Hα-helixtrans-67.6-32.8-167.156.80000112.5D763 T764 L766 L772D763-T768 PolarHBondContact OD1-N 2.99Å; T764-T768 VanDerWaalsContact CG2-OG1 3.31Å; T764-T768 WeakPolarHBondContact CG2-OG1 3.49Å; T764-T768 PolarHBondContact OG1-N 2.97Å; T764-T768 PolarHBondContact OG1-OG1 2.75Å; L766-T768 HydrophobicContact CB-CG2 3.74Å; L766-T768 PolarHBondContact O-N 2.79Å; T768-L772 WeakPolarHBondContact O-CB 3.41Å; T768-L772 WeakPolarHBondContact O-CD1 3.48Å; T768-L772 WeakPolarHBondContact O-CG 3.37Å; T768-L772 PolarHBondContact O-N 2.88Å
769V77.1Confident75Confident48 Ų4880.1 Ų80.129%0.29146%0.46SS..Hα-helixtrans-69.8-44.7-178.7-1760000109.8D763 G767 L771 L772 Q773D763-V769 HydrophobicContact CB-CB 4.22Å; D763-V769 HydrophobicContact CB-CG2 4.5Å; D763-V769 WeakPolarHBondContact OD1-CB 3.34Å; D763-V769 WeakPolarHBondContact OD1-CG2 3.17Å; D763-V769 PolarHBondContact OD1-N 3.09Å; D763-V769 PolarHBondContact OD2-N 3.37Å; G767-V769 VanDerWaalsContact C-N 3.32Å; G767-V769 PolarHBondContact O-N 2.88Å; V769-L771 PolarHBondContact O-N 3.34Å; V769-L772 PolarHBondContact O-N 3.48Å; V769-Q773 HydrophobicContact CG1-CG 4.47Å; V769-Q773 WeakPolarHBondContact O-CB 3.05Å; V769-Q773 VanDerWaalsContact O-CG 3.31Å; V769-Q773 WeakPolarHBondContact O-CG 3.47Å; V769-Q773 PolarHBondContact O-N 3.49Å
770A79.7Confident75.8Confident54 Ų5485.8 Ų85.845%0.44648%0.482SS..Hα-helixtrans-58.2-47.5173.200000112.2D763 G767 L772 Q773 E774D763-A770 WeakPolarHBondContact OD2-CB 3.31Å; D763-A770 PolarHBondContact OD2-N 2.78Å; G767-A770 PolarHBondContact O-N 3.37Å; A770-L772 VanDerWaalsContact C-N 3.35Å; A770-L772 PolarHBondContact O-N 3.06Å; A770-Q773 PolarHBondContact O-N 3.44Å; A770-E774 PolarHBondContact O-N 3.34Å
771L80.1Confident76.8Confident58 Ų5883.7 Ų83.730%0.30447%0.466SS..Hα-helixtrans-67.1-32.2179.8-72.1160.7000113.2G767 V769 K775 I798G767-L771 WeakPolarHBondContact O-CD1 3.32Å; G767-L771 WeakPolarHBondContact O-CG 3.44Å; G767-L771 PolarHBondContact O-N 2.88Å; G767-L771 VanDerWaalsContact O-N 3.14Å; V769-L771 PolarHBondContact O-N 3.34Å; L771-K775 PolarHBondContact O-N 2.9Å; L771-I798 HydrophobicContact CB-CG2 3.95Å; L771-I798 HydrophobicContact CD1-CG2 3.82Å; L771-I798 HydrophobicContact CD2-CG2 3.96Å; L771-I798 HydrophobicContact CG-CG2 4.12Å
772L79.9Confident77.7Confident57 Ų5782.8 Ų82.830%0.29846%0.457SS..Hα-helixtrans-72.3-44.2173.5-74.7169.3000111T768 V769 A770 E774 K775 Q776 I784 L786T768-L772 WeakPolarHBondContact O-CB 3.41Å; T768-L772 WeakPolarHBondContact O-CD1 3.48Å; T768-L772 WeakPolarHBondContact O-CG 3.37Å; T768-L772 PolarHBondContact O-N 2.88Å; V769-L772 PolarHBondContact O-N 3.48Å; A770-L772 VanDerWaalsContact C-N 3.35Å; A770-L772 PolarHBondContact O-N 3.06Å; L772-E774 VanDerWaalsContact C-N 3.32Å; L772-E774 PolarHBondContact O-N 3.2Å; L772-K775 PolarHBondContact O-N 2.91Å; L772-K775 VanDerWaalsContact O-N 3.13Å; L772-Q776 PolarHBondContact O-N 3.37Å; L772-I784 HydrophobicContact CB-CD1 3.47Å; L772-I784 VanDerWaalsContact CB-CD1 3.47Å; L772-I784 HydrophobicContact CD2-CD1 3.49Å; L772-I784 VanDerWaalsContact CD2-CD1 3.49Å; L772-I784 HydrophobicContact CD2-CG2 4.26Å; L772-I784 HydrophobicContact CG-CD1 4.02Å; L772-I784 VanDerWaalsContact O-CD1 3.25Å; L772-I784 WeakPolarHBondContact O-CD1 3.38Å; L772-L786 HydrophobicContact CD2-CD2 4.04Å
773Q82.5Confident78.4Confident88 Ų8886.1 Ų86.141%0.41146%0.458SS..Hα-helixtrans-61.6-37.6173.6-73.1-179.715.700112.6V769 A770 K775 Q776 K777V769-Q773 HydrophobicContact CG1-CG 4.47Å; V769-Q773 WeakPolarHBondContact O-CB 3.05Å; V769-Q773 VanDerWaalsContact O-CG 3.31Å; V769-Q773 WeakPolarHBondContact O-CG 3.47Å; V769-Q773 PolarHBondContact O-N 3.49Å; A770-Q773 PolarHBondContact O-N 3.44Å; Q773-K775 VanDerWaalsContact C-N 3.34Å; Q773-Q776 PolarHBondContact O-N 3.13Å; Q773-K777 WeakPolarHBondContact O-CD 3.25Å; Q773-K777 VanDerWaalsContact O-CG 3.28Å; Q773-K777 WeakPolarHBondContact O-CG 3.42Å; Q773-K777 PolarHBondContact O-N 2.85Å
774E84.6Confident79.2Confident126 Ų12686.4 Ų86.459%0.58946%0.459SS*.Hα-helixtrans-61.9-42.9173.1-168.7-175.7-176.500110.9A770 L772 K777 A778A770-E774 PolarHBondContact O-N 3.34Å; L772-E774 VanDerWaalsContact C-N 3.32Å; L772-E774 PolarHBondContact O-N 3.2Å; E774-K777 PolarHBondContact O-N 3.33Å; E774-A778 WeakPolarHBondContact O-CB 3.28Å; E774-A778 PolarHBondContact O-N 3.31Å
775K84.1Confident79.6Confident82 Ų8289 Ų8936%0.35747%0.474SS..Hα-helixtrans-68.4-33.9175.8-70.7-167.6-179.8-173.60113.3L771 L772 Q773 A778 Q779 T797L771-K775 PolarHBondContact O-N 2.9Å; L772-K775 PolarHBondContact O-N 2.91Å; L772-K775 VanDerWaalsContact O-N 3.13Å; Q773-K775 VanDerWaalsContact C-N 3.34Å; K775-A778 PolarHBondContact O-N 2.89Å; K775-Q779 VanDerWaalsContact O-CB 3.3Å; K775-Q779 WeakPolarHBondContact O-CB 3.42Å; K775-Q779 WeakPolarHBondContact O-CG 3.27Å; K775-Q779 PolarHBondContact O-N 3.42Å; K775-T797 PolarHBondContact NZ-O 2.91Å; K775-T797 VanDerWaalsContact NZ-O 3.11Å
776Q86.7Confident80.2Confident61 Ų6191.8 Ų91.829%0.28549%0.485SS..Hα-helixtrans-60.5-47.2168.2-76.7167.2-55.200111.6L772 Q773 A778 Q779 K780 T781 P782 I784L772-Q776 PolarHBondContact O-N 3.37Å; Q773-Q776 PolarHBondContact O-N 3.13Å; Q776-A778 VanDerWaalsContact C-N 3.34Å; Q776-A778 PolarHBondContact O-N 3.43Å; Q776-Q779 PolarHBondContact O-N 3.11Å; Q776-K780 VanDerWaalsContact O-CA 3.27Å; Q776-K780 WeakPolarHBondContact O-CA 3.35Å; Q776-K780 PolarHBondContact O-N 2.96Å; Q776-T781 PolarHBondContact O-N 3.2Å; Q776-P782 PolarHBondContact NE2-O 2.88Å; Q776-I784 HydrophobicContact CG-CD1 3.7Å; Q776-I784 HydrophobicContact CG-CG1 3.4Å
777K86.4Confident80.4Confident151 Ų15189.2 Ų89.266%0.65748%0.479SS*.Hα-helixtrans-62.3-40.1178.2-70.8163.1-176.3169.20111.9Q773 E774Q773-K777 WeakPolarHBondContact O-CD 3.25Å; Q773-K777 VanDerWaalsContact O-CG 3.28Å; Q773-K777 WeakPolarHBondContact O-CG 3.42Å; Q773-K777 PolarHBondContact O-N 2.85Å; E774-K777 PolarHBondContact O-N 3.33Å
778A87.2Confident79.7Confident81 Ų8192.1 Ų92.167%0.66951%0.509SS*.Hα-helixtrans-71.7-41.5178.200000113.3E774 K775 Q776 K780E774-A778 WeakPolarHBondContact O-CB 3.28Å; E774-A778 PolarHBondContact O-N 3.31Å; K775-A778 PolarHBondContact O-N 2.89Å; Q776-A778 VanDerWaalsContact C-N 3.34Å; Q776-A778 PolarHBondContact O-N 3.43Å; A778-K780 VanDerWaalsContact C-N 3.34Å
779Q84.9Confident78.2Confident121 Ų12194 Ų9457%0.56552%0.524SS*.Hα-helixtrans-81.3-14.8177.9-66.5-176.2-39.400113.1K775 Q776 T781K775-Q779 VanDerWaalsContact O-CB 3.3Å; K775-Q779 WeakPolarHBondContact O-CB 3.42Å; K775-Q779 WeakPolarHBondContact O-CG 3.27Å; K775-Q779 PolarHBondContact O-N 3.42Å; Q776-Q779 PolarHBondContact O-N 3.11Å; Q779-T781 HydrophobicContact CB-CG2 4.45Å; Q779-T781 PolarHBondContact O-N 2.97Å
780K87Confident77.1Confident188 Ų18895.7 Ų95.782%0.81755%0.551SS**THydrogen-bonded Turntrans56.526-173.5-56-176.5-178.6-178.40113.8Q776 A778Q776-K780 VanDerWaalsContact O-CA 3.27Å; Q776-K780 WeakPolarHBondContact O-CA 3.35Å; Q776-K780 PolarHBondContact O-N 2.96Å; A778-K780 VanDerWaalsContact C-N 3.34Å
781T84.4Confident75.8Confident42 Ų42102.8 Ų102.826%0.25857%0.572SS.*  trans-101.9138.4177.252.60000111Q776 Q779 Y783Q776-T781 PolarHBondContact O-N 3.2Å; Q779-T781 HydrophobicContact CB-CG2 4.45Å; Q779-T781 PolarHBondContact O-N 2.97Å; T781-Y783 WeakPolarHBondContact CB-O 3.3Å; T781-Y783 PolarHBondContact O-N 3.32Å; T781-Y783 PolarHBondContact OG1-O 3.44Å
782P82.4Confident74.2Confident117 Ų117104.1 Ų104.176%0.7659%0.586SS**SBendtrans-70.4-19.2177.127.5-32.7000112.7Q776Q776-P782 PolarHBondContact NE2-O 2.88Å
783Y78.8Confident72.6Confident152 Ų152109 Ų10960%0.59661%0.61SS**SBendtrans-117.4162.917662-92000112.1T781 V785T781-Y783 WeakPolarHBondContact CB-O 3.3Å; T781-Y783 PolarHBondContact O-N 3.32Å; T781-Y783 PolarHBondContact OG1-O 3.44Å; Y783-V785 HydrophobicContact CD2-CG2 3.87Å; Y783-V785 HydrophobicContact CE2-CG2 3.66Å
784I81Confident70.8Confident46 Ų46110.4 Ų110.424%0.23662%0.62CS.*  trans-121.1126.1171-51.3170000107.5L772 Q776 L786L772-I784 HydrophobicContact CB-CD1 3.47Å; L772-I784 VanDerWaalsContact CB-CD1 3.47Å; L772-I784 HydrophobicContact CD2-CD1 3.49Å; L772-I784 VanDerWaalsContact CD2-CD1 3.49Å; L772-I784 HydrophobicContact CD2-CG2 4.26Å; L772-I784 HydrophobicContact CG-CD1 4.02Å; L772-I784 VanDerWaalsContact O-CD1 3.25Å; L772-I784 WeakPolarHBondContact O-CD1 3.38Å; Q776-I784 HydrophobicContact CG-CD1 3.7Å; Q776-I784 HydrophobicContact CG-CG1 3.4Å; I784-L786 HydrophobicContact CG2-CD2 4.14Å; I784-L786 PolarHBondContact O-N 3.14Å; I784-L786 VanDerWaalsContact O-N 3.09Å
785V78.9Confident68.9Low104 Ų104108 Ų10863%0.6362%0.621SS**  trans-80.993.4175.1-1730000109.2Y783 S787Y783-V785 HydrophobicContact CD2-CG2 3.87Å; Y783-V785 HydrophobicContact CE2-CG2 3.66Å; V785-S787 PolarHBondContact O-N 3.42Å
786L71.6Confident67.1Low133 Ų133110.7 Ų110.770%0.69664%0.64SS**  trans-72.474.9170.1-62.1179.9000109.8L772 I784 G788L772-L786 HydrophobicContact CD2-CD2 4.04Å; I784-L786 HydrophobicContact CG2-CD2 4.14Å; I784-L786 PolarHBondContact O-N 3.14Å; I784-L786 VanDerWaalsContact O-N 3.09Å; L786-G788 PolarHBondContact O-N 3.27Å
787S68.6Low65.2Low89 Ų89112.8 Ų112.862%0.62266%0.657SS**  trans-6998.4-173.648.70000112.2V785 S789V785-S787 PolarHBondContact O-N 3.42Å; S787-S789 PolarHBondContact O-N 3.45Å
788G55.8Low63.4Low85 Ų85108.7 Ų108.788%0.87664%0.641SS**  trans-68.236.9-174.900000117.3L786 G790L786-G788 PolarHBondContact O-N 3.27Å; G788-G790 PolarHBondContact O-N 2.79Å
789S40.3Very low61.1Low91 Ų91109.6 Ų109.664%0.63664%0.639SS**  trans-85.5101.4169.7-168.50000109.5S787 K791S787-S789 PolarHBondContact O-N 3.45Å; S789-K791 PolarHBondContact O-N 3.45Å
790G53.7Low58.8Low84 Ų84117.5 Ų117.587%0.86667%0.671SS**THydrogen-bonded Turntrans-7149.9-16300000117.6G788G788-G790 PolarHBondContact O-N 2.79Å
791K52.5Low57.4Low202 Ų202114 Ų11488%0.87866%0.664SS**THydrogen-bonded Turntrans-143.5-9.4178.9-92169.2-175.4168.80116.5S789S789-K791 PolarHBondContact O-N 3.45Å
792S46.2Very low55.9Low86 Ų86117.7 Ų117.760%0.60169%0.685SS**  trans-124.96.3-17054.90000116.9N794S792-N794 PolarHBondContact O-N 2.88Å
793M47.5Very low54.5Low161 Ų161117.8 Ų117.879%0.79368%0.681SS**  trans-75.572166.7-80.5-73.8-8300110.6A795 I798M793-A795 PolarHBondContact O-N 3.44Å; M793-I798 HydrophobicContact CE-CD1 4.42Å
794N43.3Very low53Low117 Ų117115.8 Ų115.863%0.62669%0.686SS**  trans-70.1116167.6-78.1-17.5000108.8S792 N796 T797S792-N794 PolarHBondContact O-N 2.88Å; N794-N796 PolarHBondContact O-N 3.26Å; N794-T797 PolarHBondContact O-N 2.87Å; N794-T797 PolarHBondContact O-OG1 2.65Å
795A46.4Very low51.3Low74 Ų74120.1 Ų120.161%0.61271%0.714SS**G310 helixtrans-59.7-15.7-176.200000114.6M793 T797M793-A795 PolarHBondContact O-N 3.44Å; A795-T797 VanDerWaalsContact C-N 3.29Å; A795-T797 PolarHBondContact O-N 2.73Å
796N44.5Very low49.4Very low140 Ų140121.2 Ų121.275%0.74972%0.719SS**G310 helixtrans-837.9-174.7-55.422.7000114.3N794N794-N796 PolarHBondContact O-N 3.26Å
797T48.5Very low47.9Very low105 Ų105120.4 Ų120.464%0.64472%0.721SS**G310 helixtrans-115.715.8173.558.50000113.3K775 N794 A795K775-T797 PolarHBondContact NZ-O 2.91Å; K775-T797 VanDerWaalsContact NZ-O 3.11Å; N794-T797 PolarHBondContact O-N 2.87Å; N794-T797 PolarHBondContact O-OG1 2.65Å; A795-T797 VanDerWaalsContact C-N 3.29Å; A795-T797 PolarHBondContact O-N 2.73Å
798I48.3Very low46.3Very low64 Ų64122.8 Ų122.833%0.32873%0.729SS.*SBendtrans-136.148.1169.7-38.5-175.7000108.9L771 M793L771-I798 HydrophobicContact CB-CG2 3.95Å; L771-I798 HydrophobicContact CD1-CG2 3.82Å; L771-I798 HydrophobicContact CD2-CG2 3.96Å; L771-I798 HydrophobicContact CG-CG2 4.12Å; M793-I798 HydrophobicContact CE-CD1 4.42Å
799T37.5Very low45.5Very low101 Ų101125.9 Ų125.962%0.6272%0.716SS**  trans-141.3122.3176.850.70000110.3
800K36.8Very low45.9Very low286 Ų286129.1 Ų129.1100%1.24372%0.724SS**  trans-139.10154.4-110.3-168.9174.6-173.70107.6

Retrieved 800 of 800 residues in 100.6 ms (Link to these results)