A0A087YBC9_POEFO Loading...

DLG associated protein 1

AlphaFold DB , UniProt , Accession A0A087YBC9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,014 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.4Very low31.3Very low230 Ų230147.8 Ų147.8100%1.13381%0.807SS**  0163.80-72.4126.893.400109.2
2T34.1Very low31.3Very low129 Ų129146.4 Ų146.479%0.79179%0.79SS**  trans36.5107159.2500000118.9
3M32.1Very low31.3Very low161 Ų161146.5 Ų146.579%0.79378%0.782SS**  65.2129.165.4-75.8-79.4-78.400116.6
4K37.1Very low31Very low202 Ų202144.9 Ų144.988%0.87878%0.781SS**  trans73.9148169.6-52.9164-176.8178.60115.9
5G34.3Very low30.9Very low67 Ų67142.8 Ų142.869%0.69177%0.774SS**  cis153146.1-1600000116.2
6L32.2Very low30.7Very low173 Ų173141.2 Ų141.291%0.90677%0.771SS**  trans73.3140.9154.3-58.4176.1000122.6
7S28.3Very low30.4Very low101 Ų101140.1 Ų140.171%0.70677%0.774SS**  trans82.3106.2138.1-71.20000124.2
8N26.9Very low30.2Very low154 Ų154140.6 Ų140.682%0.82478%0.775SS**  57.5119.2110.7-8813.1000123.8
9S28.1Very low30.8Very low103 Ų103139.1 Ų139.172%0.7277%0.773SS**  91147.7115.5-158.90000121.8
10R30Very low30.7Very low220 Ų220136.8 Ų136.883%0.8377%0.766SS**  trans68.7140.6176.1-65.5-179.8173.1-159.6-4.7116.2
11S27.3Very low30.5Very low86 Ų86140 Ų14060%0.60177%0.768SS**  cis106.3145.117.5-175.10000113.4
12H30.9Very low30.1Very low131 Ų131134.9 Ų134.961%0.60675%0.746SS**  trans74.8149.4177.4-42.5-69.2000115
13H31Very low29.8Very low147 Ų147132.5 Ų132.568%0.68173%0.734SS**  cis-174.8156.4-22.5-104.4-36.8000109.4
14T27.2Very low29.7Very low125 Ų125132.4 Ų132.477%0.76773%0.734SS**  trans64.7156.9144.758.10000118.5
15V29.4Very low29.3Very low113 Ų113128.9 Ų128.969%0.68573%0.729SS**  cis-163.1154.4-8.1119.10000110.3
16T27.6Very low29.2Very low117 Ų117134 Ų13472%0.71874%0.74SS**  trans30.6138.8161.6640000121.2
17C26Very low29Very low122 Ų122128.9 Ų128.982%0.82473%0.729SS**  -166.6145.978.1-91.90000114.2
18D27.6Very low29.1Very low149 Ų149132.6 Ų132.680%0.79774%0.735SS**  trans-83.8164.5151.2-121.4-43.1000108.2
19P41.8Very low29.3Very low113 Ų113129.2 Ų129.273%0.73473%0.728SS**  -155.2167.452.545-24.3000119.6
20S28.2Very low29.5Very low92 Ų92129.3 Ų129.364%0.64372%0.721SS**  76.9137.7129.4-178.70000124.1
21Y27.1Very low29.5Very low205 Ų205129 Ų12980%0.80472%0.719SS**  trans80.4106.7148.7-100.9-118.9000123.3
22D26.2Very low29.7Very low123 Ų123133.4 Ų133.466%0.65872%0.723SS**  72.9143110-150.20.5000123.6
23S26.3Very low29.4Very low79 Ų79132.9 Ų132.955%0.55273%0.734SS**  trans67.4107.6151.9-780000124.2
24M31.3Very low29.5Very low159 Ų159133.2 Ų133.278%0.78373%0.73SS**  trans47.1133.9130-53-168.3-70.300122.8
25T28.9Very low29.8Very low127 Ų127135.6 Ų135.678%0.77973%0.73SS**  147.7148.7114.654.30000117
26L31.5Very low29.9Very low174 Ų174136.9 Ų136.991%0.91173%0.733SS**  trans79.2147.6143.6-128.466.4000124.6
27G27.8Very low29.9Very low66 Ų66137.8 Ų137.868%0.6873%0.733SS**  trans106.2107173.500000113.3
28H29.9Very low30Very low180 Ų180140.6 Ų140.683%0.83373%0.734SS**  cis63.9136.327.6-112.3-62.7000113.7
29A31.3Very low30Very low82 Ų82137.1 Ų137.168%0.67873%0.733SS**  cis-141.2-175.89.600000110.6
30D31.5Very low29.5Very low106 Ų106141.1 Ų141.157%0.56774%0.742SS**  cis-145.9-1549.9-156.815.1000108
31R31Very low29.4Very low213 Ų213141.4 Ų141.480%0.80475%0.75SS**  cis-150.2-172.67.6-176.8141-75.5-150.2-8.7109
32R30.9Very low29.6Very low178 Ų178140.8 Ų140.867%0.67275%0.754SS**  trans-141.4161.3-171.7-55.9-178.5-177.8-153-4.3115.1Y34R32-Y34 HydrophobicContact CB-CE2 4.49Å; R32-Y34 WeakPolarHBondContact CD-OH 3.37Å; R32-Y34 PolarHBondContact NH1-OH 3.48Å
33S25.3Very low30.5Very low121 Ų121139.8 Ų139.885%0.84675%0.754SS**  trans-137.8166143.9-730000109.1
34Y32Very low30.7Very low153 Ų153141.6 Ų141.660%0.676%0.762SS**  trans-125-175.9-174.7-55-90.7000111.6R32R32-Y34 HydrophobicContact CB-CE2 4.49Å; R32-Y34 WeakPolarHBondContact CD-OH 3.37Å; R32-Y34 PolarHBondContact NH1-OH 3.48Å
35F35.2Very low30.5Very low175 Ų175141.1 Ų141.177%0.76876%0.763SS**  cis-160.2166.317.8-97.3-50.6000107
36L30.5Very low30.8Very low140 Ų140142.2 Ų142.273%0.73376%0.764SS**  cis-142180-4.3-92.2148.4000105.9
37N27.3Very low31.4Very low136 Ų136139.6 Ų139.673%0.72776%0.757SS**  cis65.1132.845.7-12311.2000114.7
38Q28.2Very low31.3Very low182 Ų182142.1 Ų142.185%0.8576%0.763SS**  cis-135.4-17611.7-64.2169.3-48.400110
39G27.3Very low31.2Very low75 Ų75143 Ų14377%0.77376%0.761SS**  cis-176.7-171.66.800000112.6
40E31.1Very low31.1Very low198 Ų198145.2 Ų145.293%0.92577%0.766SS**  trans-88.4155.7-171.9-58.4164.994.800115.5
41A27Very low31Very low98 Ų98147.5 Ų147.581%0.8177%0.773SS**  trans-178139.1135.700000115.2
42H31.6Very low30.9Very low192 Ų192147.7 Ų147.789%0.88977%0.774SS**  trans-117.4173.3152.2-88-56.6000106.8
43P45.7Very low30.6Very low102 Ų102143.9 Ų143.966%0.66277%0.774SS**  cis-142.7-159.920.843.1-21.8000115.5
44T30Very low30.8Very low116 Ų116141.6 Ų141.671%0.71276%0.763SS**  trans66.2149163.9370000117.3
45D27.3Very low30.6Very low149 Ų149143.6 Ų143.680%0.79778%0.775SS**  cis-146.1169.37.5-123.4-37.4000112.3
46N34.2Very low30.2Very low151 Ų151143.1 Ų143.181%0.80778%0.775SS**  trans-123.2155.5-178-120.813.5000111.9
47P43.8Very low30Very low118 Ų118142.1 Ų142.177%0.76678%0.775SS**  trans-136.6155.114036.5-24.3000115.7
48C27.1Very low30Very low119 Ų119143.7 Ų143.780%0.80478%0.778SS**  trans-10.4150.2168-60.50000120
49Y26.2Very low29.8Very low199 Ų199140.6 Ų140.678%0.7878%0.775SS**  cis-158.5152.248.4-156.9-89.5000113.8
50T29.8Very low29.8Very low128 Ų128142.5 Ų142.579%0.78578%0.776SS**  trans-148.4138.1-179.755.30000113.6
51Q28.6Very low29.7Very low154 Ų154136.9 Ų136.972%0.7276%0.764SS**  trans179.5159.7166.4-104.2-179.79.700107.3
52R30.2Very low29.8Very low218 Ų218143 Ų14382%0.82377%0.768SS**  cis-168.9166.2-20.9-127.5-175.2178.4168.1-1.3105.4
53S24.9Very low30.5Very low98 Ų98139.6 Ų139.669%0.68576%0.763SS**  cis-156.9168.8-2.5-1660000108.7
54A29.7Very low29.7Very low73 Ų73141 Ų14160%0.60377%0.765SS**  trans-94.1157.9157.300000111.1
55F27Very low29.7Very low194 Ų194141.5 Ų141.585%0.85176%0.762SS**  172.4-177.7127.3-95.8-66000112.8
56Q26.1Very low29.8Very low166 Ų166137.3 Ų137.378%0.77674%0.742SS**  trans-107.2-163-159.6-58.5164.8-76.200114
57T27.2Very low29.5Very low118 Ų118132.3 Ų132.372%0.72472%0.719SS**  trans92.7130.4156.7-480000114.2
58E27.3Very low28.9Very low169 Ų169130 Ų13079%0.7971%0.705SS**  cis-153.717211.5-145.1154.1-131.400113.2
59C24.7Very low29Very low118 Ų118130.7 Ų130.780%0.79771%0.706SS**  trans28.7142.5156.1-80.80000121.8
60S25.8Very low29.5Very low114 Ų114130.3 Ų130.380%0.79771%0.709SS**  cis-169.5-171.6-2.4-153.20000106.4
61A28.9Very low29.7Very low81 Ų81130.5 Ų130.567%0.66971%0.712SS**  cis-157.7-165.97.400000110.9
62Y29.8Very low29.6Very low226 Ų226133 Ų13389%0.88672%0.715SS**  trans-123.8174.6167-82.5-87.7000108.9
63P46.6Very low29.5Very low121 Ų121132 Ų13279%0.78671%0.711SS**  cis-122.8-165.512.115.812000112.4
64D27.8Very low29.5Very low131 Ų131134.5 Ų134.570%0.70171%0.711SS**  cis178.2172-29.8-17718.2000105.5
65L31.8Very low29.2Very low126 Ų126141 Ų14166%0.6672%0.722SS**  trans68.7141.7165.9-69.2152.1000115.4
66T28.9Very low29.1Very low61 Ų61136.5 Ų136.537%0.37472%0.715SS.*  cis177.6-169.81250.30000110.8T552 D553T66-T552 HydrophobicContact CG2-CG2 4.16Å; T66-T552 WeakPolarHBondContact CG2-O 3.32Å; T66-T552 WeakPolarHBondContact CG2-OG1 3.26Å; T66-T552 VanDerWaalsContact OG1-CB 3.27Å; T66-T552 WeakPolarHBondContact OG1-CB 3.38Å; T66-T552 WeakPolarHBondContact OG1-CG2 3.49Å; T66-T552 PolarHBondContact OG1-OG1 2.86Å; T66-D553 HydrophobicContact CG2-CB 3.54Å; T66-D553 WeakPolarHBondContact CG2-OD1 3.47Å
67S27.3Very low29.1Very low46 Ų46134 Ų13432%0.32272%0.716SS.*  trans-110.6-171.6-154.9-154.80000121.9T552 D553 S554S67-T552 WeakPolarHBondContact O-CA 3.47Å; S67-T552 PolarHBondContact O-N 3.4Å; S67-D553 WeakPolarHBondContact CB-O 3.47Å; S67-S554 VanDerWaalsContact CB-OG 3.25Å; S67-S554 WeakPolarHBondContact CB-OG 3.38Å; S67-S554 PolarHBondContact OG-OG 3.39Å
68C30.6Very low29.2Very low71 Ų71136.5 Ų136.548%0.4872%0.719SS.*  trans135.8120.8141.7-68.70000121.1T552 D553C68-T552 PolarHBondContact SG-N 3.05Å; C68-T552 VanDerWaalsContact SG-N 3.4Å; C68-D553 PolarHBondContact SG-N 2.75Å; C68-D553 PolarHBondContact SG-O 3.07Å
69T31Very low29.2Very low133 Ų133135.2 Ų135.282%0.81671%0.712SS**  trans77.1147.5135-50.30000124.2
70F34.8Very low29.4Very low191 Ų191137 Ų13784%0.83871%0.709SS**  trans-68.9169.3-179.2-66.2-92.5000116.5
71P34Very low29.6Very low132 Ų132140 Ų14086%0.85772%0.715SS**  -134.7175.8111.239.7-32.1000115.6
72R26.8Very low29.5Very low206 Ų206143.4 Ų143.478%0.77772%0.715SS**  trans-129.8118.2-175.7175.8-165.4-169-157.37.7111.6
73R28.6Very low29.5Very low197 Ų197139.4 Ų139.474%0.74370%0.704SS**  trans53.2137.7165.1-63.1178.8175.5-172-3.4117.3
74H25.5Very low28.9Very low150 Ų150141.6 Ų141.669%0.69470%0.704SS**  176153.6100.1-103.8-79.6000115.2
75Y23.1Very low28.9Very low210 Ų210140.3 Ų140.382%0.82470%0.704SS**  trans68.8174156.1-91.3-78.2000120.8
76S25.1Very low28.8Very low100 Ų100139.4 Ų139.470%0.69971%0.708SS**  trans-151.3152.4-147.157.20000111.9
77S26.6Very low28.9Very low114 Ų114140.7 Ų140.780%0.79773%0.725SS**  trans-160.5159145.264.30000112.7
78H28Very low29Very low169 Ų169146.5 Ų146.578%0.78275%0.752SS**  trans-68.6179.5154.9-76.1-130.5000109.1
79H26.9Very low28.9Very low142 Ų142149.7 Ų149.766%0.65777%0.769SS**  cis-161.2161.933.6-150.1-105.9000111.8
80E29.3Very low29.7Very low156 Ų156149 Ų14973%0.72977%0.767SS**  trans30.9135.6158.9-81.4168.8158.100123
81L29.6Very low29.3Very low176 Ų176149.9 Ų149.992%0.92177%0.766SS**  -157.9-175.9104.5-108.3171.9000111.9
82K27.3Very low29.1Very low154 Ų154150.1 Ų150.167%0.6777%0.765SS**  trans-137.5162.3-153-169.5-176.3170.5-128.30112.4
83E30.3Very low29Very low141 Ų141143.5 Ų143.566%0.65976%0.761SS**  trans84.8116150.6-110.1143.8-166.700122.2
84E33Very low30Very low168 Ų168139.7 Ų139.779%0.78576%0.761SS**  111.1147.9120.2-117.7-159.5124.100123.5
85C29.6Very low30.2Very low103 Ų103139.3 Ų139.370%0.69677%0.77SS**  trans66144165-82.50000120.2
86S29.3Very low30.5Very low108 Ų108133 Ų13376%0.75577%0.769SS**  cis-176149.1-17-111.40000110.5
87A30Very low30.9Very low88 Ų88134.4 Ų134.473%0.72778%0.778SS**  trans172.6123144.700000117
88L29.6Very low31Very low167 Ų167134.3 Ų134.387%0.87478%0.777SS**  trans54.7141.3145.5-77.281.8000123.7
89V28.2Very low31.3Very low138 Ų138136.4 Ų136.484%0.83678%0.784SS**  trans-150.6130.6170.4170.20000110.6
90P48.8Very low31.3Very low120 Ų120133.4 Ų133.478%0.77979%0.791SS**  trans-147.4114.8144.133.9-15000116.6
91Y26Very low31.4Very low208 Ų208132.1 Ų132.182%0.81680%0.799SS**  31.6125.9126.6-116.7-103.2000122.4
92T28.9Very low31.4Very low138 Ų138127.3 Ų127.385%0.84779%0.793SS**  173.4153112.831.20000113.9
93G25.1Very low31.8Very low66 Ų66123.3 Ų123.368%0.6880%0.795SS**  trans-117.2-148.4161.800000110.2
94P50Low32Very low117 Ų117123.8 Ų123.876%0.7680%0.802SS**  cis-142.1-140.70.543.6-21.9000113.1
95T29.6Very low31.9Very low143 Ų143122.5 Ų122.588%0.87780%0.801SS**  trans77.7144.4177.676.20000115.5
96G29.8Very low32.1Very low78 Ų78124.7 Ų124.780%0.80481%0.805SS**  cis179165-5.900000108.7
97S32.4Very low32.3Very low128 Ų128129.7 Ų129.790%0.89581%0.807SS**  cis-136.7-143.33.3-160.70000107.3
98C28.6Very low32.4Very low113 Ų113132.8 Ų132.876%0.76481%0.81SS**  cis-149.8-149.8-0.861.60000109.5
99K34.1Very low32.7Very low212 Ų212130.4 Ų130.492%0.92281%0.805SS**  trans-146.5154.5177.2-68-177178177.70113.6
100G28.5Very low32.7Very low79 Ų79129.3 Ų129.381%0.81480%0.803SS**  trans-158.314416900000111.4
101S30.4Very low31.8Very low129 Ų129131.6 Ų131.690%0.90281%0.809SS**  trans-92.3135.6-162.6-170.50000115.8
102G30.6Very low32.1Very low76 Ų76129.7 Ų129.778%0.78481%0.812SS**  trans60.8116.1134.400000122.2
103G35.8Very low32.2Very low69 Ų69130.6 Ų130.671%0.71181%0.811SS**  trans132.4124.2141.800000118.8
104N33.9Very low32.7Very low151 Ų151135.6 Ų135.681%0.80782%0.816SS**  trans79.5108.7144.4-52.2-7.3000121.5
105N31.5Very low31.7Very low142 Ų142137.4 Ų137.476%0.75982%0.815SS**  trans75.1128.5140-59.3-23.6000122.4
106N32.3Very low31.9Very low148 Ų148138 Ų13879%0.79181%0.805SS**  trans70.8145.4157.9-63.5-34000116.8
107R34.7Very low32Very low213 Ų213141.1 Ų141.180%0.80480%0.799SS**  cis-161.3167.910.1-136.2177.1-173166.20.2111.9
108I31.7Very low31.9Very low153 Ų153140.2 Ų140.279%0.78579%0.789SS**  trans79.3143157.6-66.4161.1000116.3
109P35.1Very low32Very low118 Ų118144 Ų14477%0.76680%0.795SS**  trans-113.7175.1-157.442-30.5000115.9
110S29Very low31.9Very low115 Ų115138.3 Ų138.380%0.80479%0.787SS**  trans-84.1168.9176.845.80000114.1
111N29.5Very low32.6Very low168 Ų168140.1 Ų140.190%0.89879%0.785SS**  trans-129.2153.7170.6-141.4-17.9000109.7
112L32.2Very low32.6Very low168 Ų168141.8 Ų141.888%0.8878%0.783SS**  trans-96.5159-162.6-72.2166.9000114.9
113L31.5Very low32.5Very low156 Ų156147 Ų14782%0.81778%0.779SS**  trans-146.7150.7169.9-171.365.4000111.4
114E34.6Very low32.3Very low171 Ų171153 Ų15380%0.79978%0.78SS**  trans83.1164.2156-106175.8153.300123.3
115Q30.9Very low32Very low155 Ų155151.9 Ų151.972%0.72477%0.77SS**  trans72.6136.9-177.6-64.5-176.1-2100116.1
116F32.4Very low31.9Very low155 Ų155148.9 Ų148.968%0.6877%0.772SS**  cis-159.1177.21.8-86-47.6000108.7
117E32.9Very low32Very low144 Ų144152.5 Ų152.567%0.67378%0.776SS**  cis-177.9157.5-35.9-175.7162.9-67.900111.5
118T30.9Very low32.1Very low110 Ų110150.8 Ų150.868%0.67578%0.777SS**  trans53.8172162.645.80000121.7
119Q29Very low32.1Very low193 Ų193149.5 Ų149.590%0.90278%0.776SS**  -153.7176.7-59.4-108.4-174.425.100110.5
120A32.4Very low32.6Very low92 Ų92151.2 Ų151.276%0.7678%0.778SS**  trans-108.7174.7-167.200000116.4
121P42.7Very low32.8Very low117 Ų117155.3 Ų155.376%0.7679%0.785SS**  -162.4152.6104.140.7-19.9000122
122L31.4Very low32.8Very low163 Ų163156.5 Ų156.585%0.85378%0.778SS**  trans51131.2136.3-65167.9000128.7
123R28.7Very low32.7Very low187 Ų187157.3 Ų157.371%0.70677%0.774SS**  trans63.8174.1149.2-83.4-68.4-153.2151.410.9118.2E125R123-E125 IonicContact CZ-OE1 3.64Å; R123-E125 VanDerWaalsContact NH1-CD 3.3Å; R123-E125 IonicContact NH1-OE1 2.75Å; R123-E125 PolarHBondContact NH1-OE1 2.96Å; R123-E125 IonicContact NH2-OE1 2.88Å
124R30.6Very low32.9Very low194 Ų194157.9 Ų157.973%0.73277%0.772SS**  cis-125.6-107.15.8-156.5-166.3159.6125.16.6119.8
125E27.8Very low32.7Very low128 Ų128156.8 Ų156.860%0.59878%0.778SS**  trans-155.5159.7-158.7-81.7162.1-177.300112.7R123R123-E125 IonicContact CZ-OE1 3.64Å; R123-E125 VanDerWaalsContact NH1-CD 3.3Å; R123-E125 IonicContact NH1-OE1 2.75Å; R123-E125 PolarHBondContact NH1-OE1 2.96Å; R123-E125 IonicContact NH2-OE1 2.88Å
126G30.1Very low32.7Very low78 Ų78153.9 Ų153.980%0.80478%0.78SS**  trans164.3131.6164.500000116.7
127Y33.8Very low32.7Very low225 Ų225154.5 Ų154.588%0.88279%0.789SS**  trans-97.1159.6173.3-64.7-100.1000111.8
128H36.4Very low32.7Very low177 Ų177156.2 Ų156.282%0.81980%0.798SS**  trans-175.2136.7132.1-104.863000115.5
129T31.8Very low33Very low125 Ų125158.9 Ų158.977%0.76780%0.802SS**  trans31.7130.3152560000124.1
130L45.3Very low33.3Very low154 Ų154158.3 Ų158.381%0.80680%0.799SS**  trans-68.5144.1157.8-65.3160.7000112.8
131Q34.7Very low33.9Very low202 Ų202165.2 Ų165.294%0.94481%0.806SS**  trans-147.9169.2141.1-76.5-147.36.300110.8
132Y28.5Very low33.6Very low192 Ų192162.8 Ų162.875%0.75379%0.792SS**  trans-125.3170.8-152.7-114.1-92.4000114.6
133K29.7Very low34.6Very low186 Ų186161.2 Ų161.281%0.80978%0.784SS**  trans85113.9166.9-49.5-168-177.6179.20115.5
134H36.9Very low35.5Very low167 Ų167154.8 Ų154.877%0.77377%0.768SS**  81.198.856.5-76.3-72.7000114.3
135T30.4Very low36.8Very low149 Ų149149.9 Ų149.991%0.91476%0.761SS**  trans-127.5155.1141.150.10000107.7
136A31.1Very low38.7Very low93 Ų93144.7 Ų144.777%0.76974%0.742SS**  trans-113.1146.7-160.500000114.3
137L31.1Very low40.5Very low168 Ų168149.8 Ų149.888%0.8874%0.737SS**  trans-135107.5147.3-16774000107H139L137-H139 PolarHBondContact O-N 3.41Å
138E34.1Very low42.3Very low181 Ų181144 Ų14485%0.84672%0.72SS**  trans-69.5130.1-169.6-66.4-168.1123.200112.3
139H36.6Very low44.1Very low165 Ų165143.7 Ų143.776%0.76471%0.712SS**  trans-71.4136.9159.8-68.330.8000108.4L137 R141L137-H139 PolarHBondContact O-N 3.41Å; H139-R141 PolarHBondContact O-N 3.21Å
140Q34.5Very low46.2Very low181 Ų181144.1 Ų144.185%0.84671%0.705SS**  trans-71.672.6168.1-74.7-159.513.700111.9S142Q140-S142 PolarHBondContact O-N 3.2Å
141R45.2Very low48Very low238 Ų238142.5 Ų142.590%0.89870%0.696SS**  trans-79.674.1147.9-80.7-171.2167.1121-2.1108.3H139H139-R141 PolarHBondContact O-N 3.21Å
142S36.9Very low50.3Low66 Ų66136.5 Ų136.546%0.46267%0.673SS.*  trans-105.543.9179.254.50000111.9Q140 S144Q140-S142 PolarHBondContact O-N 3.2Å; S142-S144 PolarHBondContact O-N 2.9Å; S142-S144 PolarHBondContact O-OG 3.36Å
143D52.3Low52.5Low130 Ų130132.6 Ų132.670%0.69566%0.662SS**  trans-70.782.7169.3-160.37.1000109.1
144S47Very low54.9Low52 Ų52126.8 Ų126.836%0.36465%0.645SS.*  trans-82.4136.9-153.9-65.60000110.2S142 G146 R147S142-S144 PolarHBondContact O-N 2.9Å; S142-S144 PolarHBondContact O-OG 3.36Å; S144-G146 CarbonylContact O-C 3.59Å; S144-G146 PolarHBondContact O-N 3.47Å; S144-R147 WeakPolarHBondContact O-CB 3.31Å; S144-R147 PolarHBondContact O-N 3.49Å
145P58.4Low57Low90 Ų90122 Ų12258%0.58463%0.627SS**Hα-helixtrans-56.4-17.5169.7-27.135.4000113.6R149P145-R149 VanDerWaalsContact O-CB 3.31Å; P145-R149 WeakPolarHBondContact O-CB 3.18Å; P145-R149 VanDerWaalsContact O-CG 3.23Å; P145-R149 WeakPolarHBondContact O-CG 3.37Å; P145-R149 PolarHBondContact O-N 2.87Å; P145-R149 VanDerWaalsContact O-N 3.15Å; P145-R149 PolarHBondContact O-NE 3.43Å
146G67.1Low59.2Low20 Ų20120.8 Ų120.821%0.20661%0.611CS.*Hα-helixtrans-63.1-44.1165.600000113.7S144 R149 H150S144-G146 CarbonylContact O-C 3.59Å; S144-G146 PolarHBondContact O-N 3.47Å; G146-R149 CarbonylContact O-C 3.59Å; G146-R149 PolarHBondContact O-N 3.37Å; G146-H150 WeakPolarHBondContact O-CB 3.34Å; G146-H150 PolarHBondContact O-CD2 2.97Å; G146-H150 PolarHBondContact O-N 3.21Å
147R68.4Low61.1Low185 Ų185122.5 Ų122.570%0.69860%0.601SS**Hα-helixtrans-65.7-43.3-177-148.5176.9-166.4-177.74.1111.7S144 H150 L151S144-R147 WeakPolarHBondContact O-CB 3.31Å; S144-R147 PolarHBondContact O-N 3.49Å; R147-H150 PolarHBondContact O-N 3.36Å; R147-L151 WeakPolarHBondContact O-CB 3.21Å; R147-L151 PolarHBondContact O-N 2.96Å
148I70.9Confident62.9Low102 Ų102120.3 Ų120.352%0.52359%0.59SS.*Hα-helixtrans-63.8-45172.3-59.8175.7000110.6H150 L151 V152I148-H150 VanDerWaalsContact C-N 3.35Å; I148-H150 PolarHBondContact O-N 3.41Å; I148-L151 PolarHBondContact O-N 2.89Å; I148-V152 HydrophobicContact CG2-CG2 4.38Å; I148-V152 WeakPolarHBondContact O-CG2 3.34Å; I148-V152 PolarHBondContact O-N 3.46Å
149R75.9Confident64.3Low172 Ų172118.8 Ų118.865%0.64958%0.58SS**Hα-helixtrans-61.9-37.7175-78.4179.4-67.9175.30.7112.9P145 G146 H153P145-R149 VanDerWaalsContact O-CB 3.31Å; P145-R149 WeakPolarHBondContact O-CB 3.18Å; P145-R149 VanDerWaalsContact O-CG 3.23Å; P145-R149 WeakPolarHBondContact O-CG 3.37Å; P145-R149 PolarHBondContact O-N 2.87Å; P145-R149 VanDerWaalsContact O-N 3.15Å; P145-R149 PolarHBondContact O-NE 3.43Å; G146-R149 CarbonylContact O-C 3.59Å; G146-R149 PolarHBondContact O-N 3.37Å; R149-H153 WeakPolarHBondContact O-CB 3.35Å; R149-H153 PolarHBondContact O-N 3.05Å
150H74.8Confident65.2Low134 Ų134115.3 Ų115.362%0.6257%0.571SS**Hα-helixtrans-69.4-36.6174.7-72-56.7000112.2G146 R147 I148 S154G146-H150 WeakPolarHBondContact O-CB 3.34Å; G146-H150 PolarHBondContact O-CD2 2.97Å; G146-H150 PolarHBondContact O-N 3.21Å; R147-H150 PolarHBondContact O-N 3.36Å; I148-H150 VanDerWaalsContact C-N 3.35Å; I148-H150 PolarHBondContact O-N 3.41Å; H150-S154 VanDerWaalsContact O-CB 3.24Å; H150-S154 WeakPolarHBondContact O-CB 3.09Å; H150-S154 PolarHBondContact O-N 2.91Å; H150-S154 PolarHBondContact O-OG 3.44Å
151L83.3Confident65.8Low119 Ų119115.1 Ų115.162%0.62357%0.568SS**Hα-helixtrans-64.5-51.8173.6-172.267000110.7R147 I148 H153 S154 V155R147-L151 WeakPolarHBondContact O-CB 3.21Å; R147-L151 PolarHBondContact O-N 2.96Å; I148-L151 PolarHBondContact O-N 2.89Å; L151-H153 PolarHBondContact O-N 3.46Å; L151-S154 PolarHBondContact O-N 2.91Å; L151-S154 VanDerWaalsContact O-N 3.13Å; L151-V155 WeakPolarHBondContact O-CG2 3.32Å; L151-V155 PolarHBondContact O-N 3.16Å
152V83Confident65.8Low77 Ų77108 Ų10847%0.46755%0.554SS.*Hα-helixtrans-57.5-46.9175.6172.20000111I148 S154 V155 Q156I148-V152 HydrophobicContact CG2-CG2 4.38Å; I148-V152 WeakPolarHBondContact O-CG2 3.34Å; I148-V152 PolarHBondContact O-N 3.46Å; V152-S154 VanDerWaalsContact C-N 3.29Å; V152-S154 PolarHBondContact O-N 3.31Å; V152-V155 PolarHBondContact O-N 3.36Å; V152-Q156 WeakPolarHBondContact O-CB 3.45Å; V152-Q156 PolarHBondContact O-N 3.11Å
153H74.8Confident66.1Low109 Ų109113.2 Ų113.251%0.50557%0.571SS.*Hα-helixtrans-67.6-27.9179.1-162.1-22000112.6R149 L151 K157R149-H153 WeakPolarHBondContact O-CB 3.35Å; R149-H153 PolarHBondContact O-N 3.05Å; L151-H153 PolarHBondContact O-N 3.46Å; H153-K157 WeakPolarHBondContact O-CB 3.47Å; H153-K157 WeakPolarHBondContact O-CG 3.37Å; H153-K157 PolarHBondContact O-N 3.1Å
154S80.1Confident65.8Low65 Ų65111.2 Ų111.246%0.45557%0.567SS.*Hα-helixtrans-76.2-44.2174.7-59.50000111.9H150 L151 V152 Q156 K157 L158H150-S154 VanDerWaalsContact O-CB 3.24Å; H150-S154 WeakPolarHBondContact O-CB 3.09Å; H150-S154 PolarHBondContact O-N 2.91Å; H150-S154 PolarHBondContact O-OG 3.44Å; L151-S154 PolarHBondContact O-N 2.91Å; L151-S154 VanDerWaalsContact O-N 3.13Å; V152-S154 VanDerWaalsContact C-N 3.29Å; V152-S154 PolarHBondContact O-N 3.31Å; S154-Q156 VanDerWaalsContact C-N 3.32Å; S154-Q156 PolarHBondContact O-N 2.99Å; S154-K157 WeakPolarHBondContact O-CB 3.2Å; S154-K157 PolarHBondContact O-N 3.27Å; S154-L158 PolarHBondContact O-N 2.81Å
155V81.5Confident65.8Low66 Ų66116.9 Ų116.940%0.459%0.592SS.*Hα-helixtrans-59.6-43.4171.4171.20000110.4L151 V152 K157 L158 F159L151-V155 WeakPolarHBondContact O-CG2 3.32Å; L151-V155 PolarHBondContact O-N 3.16Å; V152-V155 PolarHBondContact O-N 3.36Å; V155-K157 VanDerWaalsContact C-N 3.33Å; V155-K157 PolarHBondContact O-N 2.81Å; V155-L158 WeakPolarHBondContact O-CB 3.3Å; V155-L158 PolarHBondContact O-N 3.01Å; V155-L158 VanDerWaalsContact O-N 3.11Å; V155-F159 HydrophobicContact CG1-CD2 3.75Å; V155-F159 HydrophobicContact CG1-CE2 3.87Å; V155-F159 WeakPolarHBondContact O-CD2 3.42Å; V155-F159 PolarHBondContact O-N 3.13Å
156Q76.7Confident64.9Low124 Ų124122 Ų12258%0.57961%0.608SS**Hα-helixtrans-72.6-24.4178.4-158.2161.31500112.9V152 S154 T160V152-Q156 WeakPolarHBondContact O-CB 3.45Å; V152-Q156 PolarHBondContact O-N 3.11Å; S154-Q156 VanDerWaalsContact C-N 3.32Å; S154-Q156 PolarHBondContact O-N 2.99Å; Q156-T160 WeakPolarHBondContact O-CB 3.49Å; Q156-T160 WeakPolarHBondContact O-CG2 3.28Å; Q156-T160 PolarHBondContact O-N 3.34Å; Q156-T160 VanDerWaalsContact O-N 3.1Å; Q156-T160 PolarHBondContact O-OG1 3.33Å
157K70.4Confident63.2Low128 Ų128124.1 Ų124.156%0.55763%0.63SS**Hα-helixtrans-70.4-38.5164.6-85176.6176.2178.80112.1H153 S154 V155 T160 K161H153-K157 WeakPolarHBondContact O-CB 3.47Å; H153-K157 WeakPolarHBondContact O-CG 3.37Å; H153-K157 PolarHBondContact O-N 3.1Å; S154-K157 WeakPolarHBondContact O-CB 3.2Å; S154-K157 PolarHBondContact O-N 3.27Å; V155-K157 VanDerWaalsContact C-N 3.33Å; V155-K157 PolarHBondContact O-N 2.81Å; K157-T160 WeakPolarHBondContact CA-OG1 3.42Å; K157-T160 PolarHBondContact O-N 3.36Å; K157-T160 PolarHBondContact O-OG1 2.66Å; K157-K161 WeakPolarHBondContact O-CB 3.41Å; K157-K161 PolarHBondContact O-N 3.2Å
158L69.8Low61.9Low123 Ų123121.6 Ų121.664%0.64464%0.638SS**Hα-helixtrans-63.1-49.9173.7-82.4153.5000111.3S154 V155 T160 K161 S162S154-L158 PolarHBondContact O-N 2.81Å; V155-L158 WeakPolarHBondContact O-CB 3.3Å; V155-L158 PolarHBondContact O-N 3.01Å; V155-L158 VanDerWaalsContact O-N 3.11Å; L158-T160 VanDerWaalsContact C-N 3.31Å; L158-T160 PolarHBondContact O-N 2.81Å; L158-K161 PolarHBondContact O-N 2.7Å; L158-S162 PolarHBondContact O-N 3Å; L158-S162 PolarHBondContact O-OG 2.98Å
159F62.9Low60.4Low148 Ų148122.8 Ų122.865%0.64966%0.655SS**Hα-helixtrans-68.7-21.2178-83.8-75.6000114.9V155 S162V155-F159 HydrophobicContact CG1-CD2 3.75Å; V155-F159 HydrophobicContact CG1-CE2 3.87Å; V155-F159 WeakPolarHBondContact O-CD2 3.42Å; V155-F159 PolarHBondContact O-N 3.13Å; F159-S162 PolarHBondContact O-OG 3.28Å
160T55.4Low58.3Low93 Ų93118.2 Ų118.257%0.57166%0.662SS**Hα-helixtrans-86.7-29.7170.746.50000112.7Q156 K157 L158Q156-T160 WeakPolarHBondContact O-CB 3.49Å; Q156-T160 WeakPolarHBondContact O-CG2 3.28Å; Q156-T160 PolarHBondContact O-N 3.34Å; Q156-T160 VanDerWaalsContact O-N 3.1Å; Q156-T160 PolarHBondContact O-OG1 3.33Å; K157-T160 WeakPolarHBondContact CA-OG1 3.42Å; K157-T160 PolarHBondContact O-N 3.36Å; K157-T160 PolarHBondContact O-OG1 2.66Å; L158-T160 VanDerWaalsContact C-N 3.31Å; L158-T160 PolarHBondContact O-N 2.81Å
161K46.5Very low56.5Low177 Ų177118.4 Ų118.477%0.7768%0.678SS**Hα-helixtrans-76.3-30.1176.3-164.6176.5-178.3-172.20113K157 L158 H163K157-K161 WeakPolarHBondContact O-CB 3.41Å; K157-K161 PolarHBondContact O-N 3.2Å; L158-K161 PolarHBondContact O-N 2.7Å; K161-H163 VanDerWaalsContact C-N 3.28Å; K161-H163 PolarHBondContact O-N 2.92Å
162S45.4Very low54.1Low88 Ų88116.4 Ų116.462%0.61569%0.686SS**THydrogen-bonded Turntrans-73-13.8176.457.30000114.6L158 F159L158-S162 PolarHBondContact O-N 3Å; L158-S162 PolarHBondContact O-OG 2.98Å; F159-S162 PolarHBondContact O-OG 3.28Å
163H44.4Very low51.5Low175 Ų175116.5 Ų116.581%0.8170%0.703SS**THydrogen-bonded Turntrans-95.212.4179.3-113.9-42.1000114.5K161K161-H163 VanDerWaalsContact C-N 3.28Å; K161-H163 PolarHBondContact O-N 2.92Å
164S46Very low49.3Very low89 Ų89115.6 Ų115.662%0.62272%0.723SS**  trans-122.228.6-164.7-167.70000115.5
165L46.2Very low47.1Very low170 Ų170116.3 Ų116.389%0.8974%0.74SS**  trans-136.878.5171.2-74.8177.6000111.5
166E38.5Very low44.8Very low198 Ų198119.3 Ų119.393%0.92577%0.765SS**  trans-170.7110.8144.1-162.665.5-101.800107.6
167G32.4Very low42.6Very low64 Ų64116.3 Ų116.366%0.6677%0.767SS**  trans173.5132.6-174.200000112.6
168P41.3Very low40.9Very low132 Ų132120.3 Ų120.386%0.85778%0.784SS**  trans-83.3156.2-155.631.8-37.5000115.3
169S38.6Very low39.2Very low127 Ų127121.8 Ų121.889%0.88879%0.791SS**  trans-65131.6164.140.30000111.4
170G33.4Very low37.8Very low77 Ų77122.7 Ų122.779%0.79480%0.803SS**  trans-161.2116-178.800000112.3
171S36.7Very low36.6Very low137 Ų137121.5 Ų121.596%0.95881%0.809SS**  trans-71.1147.6-170.4-175.90000115.2
172G31.3Very low35.8Very low77 Ų77118.5 Ų118.579%0.79481%0.811SS**  trans130.6136.3159.800000115.1
173G29Very low35.1Very low80 Ų80123.8 Ų123.883%0.82582%0.823SS**  cis162.8111.9-8.300000113.6
174G29.3Very low34.3Very low89 Ų89120.2 Ų120.292%0.91882%0.817SS**  trans79.4149.1178.600000114.6
175G34Very low33.5Very low80 Ų80121.4 Ų121.483%0.82583%0.826SS**  cis152.7155.1-1.100000109.7
176S33.8Very low33.3Very low130 Ų130118 Ų11891%0.90981%0.814SS**  cis-156.9-172.6-4.871.30000107.6
177G29.9Very low32.7Very low61 Ų61115.5 Ų115.563%0.62981%0.806SS**  cis164.7-160.610.500000111.4
178K35.1Very low32.7Very low211 Ų211119.8 Ų119.892%0.91781%0.814SS**  trans71.9146.3179.3-65.5-176.9175.2178.40115.2
179I33.9Very low32.9Very low155 Ų155118.6 Ų118.680%0.79581%0.807SS**  cis-136.4169.79.743.8173000113.7
180N33.8Very low33.6Very low166 Ų166118 Ų11889%0.88880%0.799SS**  trans-32.1162.2172.7-49.7-10000119.5
181G29.2Very low33.4Very low68 Ų68119.3 Ų119.370%0.70180%0.797SS**  cis156179.5-7.800000116.3
182S29.6Very low33.2Very low115 Ų115117.7 Ų117.780%0.80478%0.784SS**  trans84125.1160.969.30000124.3
183K30Very low33Very low199 Ų199120.3 Ų120.387%0.86579%0.79SS**  trans69.5146.9151-64.5172.2-178.21800120.7
184S29.3Very low32.8Very low99 Ų99119.5 Ų119.569%0.69278%0.782SS**  cis-176.3134.5-20.650.20000114.3
185S28.1Very low32.9Very low115 Ų115121.4 Ų121.480%0.80478%0.776SS**  trans62.6166148.7-67.80000121.9
186P43Very low32.8Very low99 Ų99124.6 Ų124.664%0.64377%0.774SS**  cis-140.7155.5-37.237.6-20.4000117
187D25.4Very low32.5Very low144 Ų144126.7 Ų126.777%0.7777%0.767SS**  39125.1128.6-41.4-32.4000121.8
188D33.2Very low32.5Very low154 Ų154132.2 Ų132.282%0.82478%0.776SS**  72.2-174.483.6-110.7-32.7000113.2
189P44.9Very low32Very low108 Ų108126.5 Ų126.570%0.70176%0.762SS**  cis-133-128.90.641.7-18.6000110.6
190P52.9Low32Very low113 Ų113128.5 Ų128.573%0.73477%0.765SS**  cis-120.7-164.3-37.937.8-18000111.3
191S29.8Very low32Very low105 Ų105130.7 Ų130.773%0.73476%0.761SS**  cis-175178.528.3-139.20000108.5
192C31.5Very low32Very low104 Ų104133.8 Ų133.870%0.70376%0.762SS**  cis-159.6156.9-1.6-166.80000109.7
193S27.1Very low32Very low131 Ų131136.9 Ų136.992%0.91676%0.76SS**  trans-153.5106.7143-1720000109.9
194G26.3Very low31.9Very low64 Ų64132.5 Ų132.566%0.6676%0.755SS**  trans-178.8117.3-174.400000111
195T30.9Very low32Very low129 Ų129135.7 Ų135.779%0.79176%0.756SS**  trans-76.2156-162.852.30000116.5
196L30.5Very low32.1Very low146 Ų146135.1 Ų135.176%0.76474%0.744SS**  trans94.5123141.7-82.1158.7000122.3
197K29.3Very low31.8Very low175 Ų175140.9 Ų140.976%0.76175%0.753SS**  trans93.8103.2146.9-65.8176.9-179.41800122.1
198H28.8Very low32Very low177 Ų177139.9 Ų139.982%0.81976%0.757SS**  trans80.5115.1131.5-83.6-96.3000124.1
199S25.1Very low32Very low91 Ų91142.2 Ų142.264%0.63676%0.76SS**  105.1105.1123.5-162.40000121.9
200K33.9Very low31.3Very low196 Ų196143 Ų14385%0.85277%0.768SS**  51.8142.9126.8-63171.4-176.5173.40119.8
201R32.7Very low29.9Very low212 Ų212145.5 Ų145.580%0.877%0.77SS**  cis176.3159.15.6160.4-174.6-155.4-17612.4112
202N29.1Very low30.2Very low134 Ų134145.8 Ų145.872%0.71777%0.769SS**  trans76.5165.2163-78.1-2.9000120.7
203K30.6Very low30Very low180 Ų180149.1 Ų149.178%0.78377%0.772SS**  cis176.3151.8-36.1-172.6172.5178.7179.90112.1
204S28.1Very low30.1Very low107 Ų107150.7 Ų150.775%0.74877%0.766SS**  trans80.1158153.41390000119.9
205K31.9Very low30.2Very low166 Ų166159 Ų15972%0.72278%0.778SS**  cis178.4146.9-20.5174.3177.4163.4-178.50112.4
206D29.1Very low30Very low102 Ų102159.2 Ų159.255%0.54578%0.779SS.*  trans62.5136.1161-79.5-25000121.7
207R36.2Very low30Very low221 Ų221158.6 Ų158.683%0.83478%0.782SS**  72.1150.992.4-59.8175.7-174.6-161.9-6.6115.7
208S30.1Very low30.1Very low122 Ų122156.5 Ų156.585%0.85378%0.784SS**  cis-159.8-177.88.720.90000113
209K32.9Very low30.2Very low204 Ų204154 Ų15489%0.88779%0.786SS**  trans-81154.7-179.8-52.7174.9177-178.40115.3
210S30.1Very low30.5Very low123 Ų123153.2 Ų153.286%0.8679%0.792SS**  177157.1125.659.60000115.4
211E23.3Very low30.3Very low166 Ų166154.8 Ų154.878%0.77680%0.795SS**  trans-87-171.9166-113.7-155.8118.500111.4
212P36.2Very low30.2Very low112 Ų112155.5 Ų155.573%0.72780%0.798SS**  cis-145.8162.917.542.2-21.7000120.9
213K28.6Very low30Very low174 Ų174154.2 Ų154.276%0.75780%0.799SS**  trans39.3155.7136-141157.7-171.7165.90126.2
214M28.5Very low29.9Very low163 Ų163150.7 Ų150.780%0.80380%0.797SS**  trans86.6142.9174-51.5-60.7178.200115.5
215R28.6Very low30.2Very low240 Ų240152.6 Ų152.691%0.90680%0.799SS**  cis-146176.28-139.7174.4-168.8163.22.2111
216T27Very low30.2Very low132 Ų132151.2 Ų151.281%0.8180%0.799SS**  trans-105.2148.8-161.147.60000118.4
217T29.5Very low30.3Very low133 Ų133151.3 Ų151.382%0.81680%0.803SS**  trans-150.3144.6144.418.10000110.9
218T32.4Very low30.3Very low132 Ų132148.5 Ų148.581%0.8180%0.804SS**SBendtrans44.789.1169.854.80000117.4
219S29.7Very low30.2Very low123 Ų123150.6 Ų150.686%0.8681%0.806SS**  81.5116.476.4-1740000114.5
220G32.1Very low30.2Very low75 Ų75144.2 Ų144.277%0.77380%0.798SS**  cis132.9119.9-18.400000116.7
221Y28.8Very low30.2Very low230 Ų230146.5 Ų146.590%0.90280%0.795SS**  trans-165.1168138.6-154.7-107.3000110.4
222W30.7Very low30.4Very low227 Ų227143.6 Ų143.686%0.8679%0.789SS**  trans-132.1167.2-174.2-94.579000113.8
223S26.3Very low30.1Very low106 Ų106143.6 Ų143.674%0.74179%0.79SS**  trans-42.7145.9161.2176.80000115.1
224S28Very low30.1Very low107 Ų107142.1 Ų142.175%0.74879%0.79SS**  173.2157.4117.8-166.30000112.1
225D34.3Very low30Very low146 Ų146143.4 Ų143.478%0.78179%0.787SS**  trans-53.8150.8146.1-71.3-91.6000109.4
226D32.7Very low30Very low138 Ų138139 Ų13974%0.73878%0.776SS**  -172.8173.570.4-150.9-23.6000112.3
227T31.1Very low30Very low103 Ų103140.1 Ų140.163%0.63277%0.772SS**  trans59.8113.2157.653.70000122.4
228L34.8Very low29.9Very low162 Ų162140 Ų14085%0.84876%0.762SS**  70.2143.2121.4-61.4175.3000124
229D28.7Very low29.8Very low166 Ų166142.3 Ų142.389%0.88876%0.764SS**  trans76158.8146.7-136.21.9000120.2
230G32.8Very low29.8Very low71 Ų71140.2 Ų140.273%0.73276%0.762SS**  trans129.565.2169.900000117.9
231E30.2Very low29.7Very low170 Ų170140.8 Ų140.879%0.79477%0.767SS**  trans-42.9147167.4-75.6-108.8115.800118
232V27.6Very low29.7Very low106 Ų106133.4 Ų133.464%0.64276%0.761SS**  trans65.4110.9133.2176.30000121.5
233C29.5Very low29.7Very low111 Ų111131.1 Ų131.175%0.7576%0.764SS**  trans63.1161148.7-63.90000118.7
234L29.3Very low29.9Very low144 Ų144129.6 Ų129.675%0.75477%0.765SS**  cis-143.8152.824.6-96.992.2000113.5
235Y26.8Very low30.1Very low189 Ų189130 Ų13074%0.74177%0.768SS**  trans58.6121139.5-82.6-123.5000123.3
236H27.6Very low30Very low147 Ų147131.8 Ų131.868%0.68177%0.774SS**  85.8101.6126.5-85.153.6000122.6
237H27.1Very low30.4Very low156 Ų156130.2 Ų130.272%0.72277%0.771SS**  102.7163.9111.4-14255.1000118.9
238H28.6Very low30.4Very low131 Ų131131 Ų13161%0.60678%0.78SS**  trans67.9102.2-179.4-75.2-89.7000120.2
239Q29.5Very low30.3Very low180 Ų180126.6 Ų126.684%0.84178%0.775SS**  59.7136.5124.8-65.6166.9-28.600120.7
240G29.2Very low30.4Very low80 Ų80125.9 Ų125.983%0.82578%0.776SS**  trans177.1-55.9160.700000117.4
241G29.6Very low30.3Very low86 Ų86131.5 Ų131.589%0.88779%0.785SS**  trans71.9173.3-177.300000115.5
242G29.6Very low30.5Very low75 Ų75129.7 Ų129.777%0.77379%0.786SS**  trans11176.4167.900000118.3
243I30.7Very low30.6Very low180 Ų180132.3 Ų132.392%0.92380%0.795SS**  trans23.2122137.9-56.8172.1000118.3
244G30.5Very low30.6Very low74 Ų74130.6 Ų130.676%0.76380%0.796SS**  trans-151.717.9-173.900000122
245S31.4Very low30.6Very low116 Ų116135.6 Ų135.681%0.81181%0.805SS**  trans60.5124.5161177.70000121.7
246M32.1Very low30.6Very low183 Ų183134.4 Ų134.490%0.90181%0.806SS**  trans-129.2158.3148-101-163.878.600110.9
247P42.1Very low31.7Very low105 Ų105132.1 Ų132.168%0.68280%0.804SS**  trans-105155.6-159.338.8-35.7000117.6
248S31.9Very low31.8Very low118 Ų118130.8 Ų130.883%0.82580%0.802SS**  trans42.6115.8146.1-164.60000120.9
249G31.8Very low31.8Very low71 Ų71132.5 Ų132.573%0.73281%0.808SS**  trans-69.2-173.3167.700000117.6
250V31.4Very low32Very low150 Ų150128.8 Ų128.891%0.90980%0.802SS**  trans-128.1155179171.10000108.8
251M29.2Very low31.8Very low189 Ų189134.4 Ų134.493%0.93181%0.806SS**  trans-101.3164.9-170.5-87.3-170.5169.300116.2
252T34.6Very low31.6Very low132 Ų132135 Ų13581%0.8180%0.797SS**  trans-63.4142.1-173.9-46.30000117.2
253I29.6Very low31.5Very low162 Ų162139.3 Ų139.383%0.83180%0.797SS**  trans-14.9145.9146-64.7155.4000117.4
254G29.5Very low31.3Very low75 Ų75140.5 Ų140.577%0.77379%0.791SS**  trans176.4120.3154.900000115
255R29.1Very low31Very low248 Ų248144.5 Ų144.594%0.93679%0.788SS**  trans-97.8151.1-175.4-61.2-175.7-177.8-145.72.2114.2
256H26.8Very low30.7Very low165 Ų165147.5 Ų147.576%0.76479%0.791SS**  trans-6.1158.4139.2-156.2-110.3000118.1
257P52.3Low30.6Very low99 Ų99144.3 Ų144.364%0.64377%0.774SS**  cis-89.6-157.711.5-15.737.6000117.6
258D28Very low29.8Very low127 Ų127144.5 Ų144.568%0.67978%0.778SS**  cis-164.7169.38.5-124.4-6.2000108.7
259K30Very low29.7Very low168 Ų168148.2 Ų148.273%0.7378%0.776SS**  cis-149.7160.8-2.5-91.7-147.9178.3-1680112.8
260S32.7Very low29.6Very low101 Ų101152.4 Ų152.471%0.70678%0.781SS**  trans45.9111.5147.865.90000123.3
261Q26Very low29.6Very low198 Ų198151 Ų15193%0.92577%0.774SS**  trans74.2122.4140.9-70-167.9-7.800123.2
262S25.1Very low29.8Very low99 Ų99149.7 Ų149.769%0.69277%0.769SS**  113.197.4127.9-167.30000120.7
263Q27.6Very low29.6Very low165 Ų165148.6 Ų148.677%0.77177%0.766SS**  trans89.2126.4135.7-75.1-172.52900123.6
264Y25.5Very low29.6Very low205 Ų205145.3 Ų145.380%0.80476%0.763SS**  trans56.392.4146.7-68.4-66.4000122.1
265F24.6Very low29.5Very low158 Ų158151.6 Ų151.669%0.69377%0.772SS**  16.1117.4118.7-160.2-87.7000118.7E267F265-E267 HydrophobicContact CE1-CB 4.28Å; F265-E267 HydrophobicContact CZ-CB 4Å; F265-E267 WeakPolarHBondContact CZ-OE2 3.43Å
266M25.7Very low29.5Very low179 Ų179145 Ų14588%0.88277%0.765SS**  -149.8147.6124-166.6148.8-75.700110.3
267E28.2Very low29.7Very low116 Ų116144.5 Ų144.554%0.54277%0.767SS.*  trans-115.9142.6-167.6179.2170.2-153.200110.9F265 Y269F265-E267 HydrophobicContact CE1-CB 4.28Å; F265-E267 HydrophobicContact CZ-CB 4Å; F265-E267 WeakPolarHBondContact CZ-OE2 3.43Å; E267-Y269 HydrophobicContact CG-CD2 4.43Å; E267-Y269 HydrophobicContact CG-CE2 4.45Å; E267-Y269 WeakPolarHBondContact OE1-CE2 3.43Å
268S27Very low28.6Very low110 Ų110148.5 Ų148.577%0.76977%0.774SS**  trans-15699.6172.965.50000111.7
269Y28.6Very low28.5Very low195 Ų195148.5 Ų148.577%0.76578%0.778SS**  trans-65.2146.9168.2-80-94.8000111.4E267E267-Y269 HydrophobicContact CG-CD2 4.43Å; E267-Y269 HydrophobicContact CG-CE2 4.45Å; E267-Y269 WeakPolarHBondContact OE1-CE2 3.43Å
270N29.2Very low28.3Very low160 Ų160145.9 Ų145.986%0.85678%0.782SS**  trans-146.6120.9154.3-96.3-74.9000109.2
271T33.3Very low28.3Very low121 Ų121152.4 Ų152.474%0.74279%0.791SS**  trans-82.1155.1170510000110.2
272I31.7Very low28.5Very low161 Ų161148.2 Ų148.283%0.82678%0.783SS**  trans178.3139.6139.6-96.1155.7000112
273S31Very low28.8Very low108 Ų108150.4 Ų150.476%0.75579%0.787SS**  trans11.1135.4166.767.90000122.2
274A30.1Very low29.1Very low93 Ų93148.6 Ų148.677%0.76978%0.783SS**  trans-88.8147.215500000112.2
275Q28.2Very low29.2Very low207 Ų207144.6 Ų144.697%0.96778%0.776SS**  trans-163146.1144.2-111.9173.639.500112.9
276S28.3Very low29.7Very low111 Ų111143.1 Ų143.178%0.77678%0.779SS**  trans-80.4158.7-166-47.70000116.6
277L31.4Very low29.7Very low154 Ų154144 Ų14481%0.80678%0.778SS**  trans-160.7123.8132.8-82.5-174.1000107.7
278K29.1Very low29.7Very low183 Ų183144.2 Ų144.280%0.79679%0.791SS**  62.1130.680.1-72.8-173.2-175.2173.60113.3
279T26.4Very low29.7Very low126 Ų126144.8 Ų144.877%0.77380%0.795SS**  cis-163.8163.16.145.50000111
280S25.8Very low29.8Very low114 Ų114139.8 Ų139.880%0.79779%0.794SS**  168.4158.6115.9-158.10000116.1
281R31.8Very low30Very low237 Ų237137.5 Ų137.589%0.89479%0.789SS**  trans-69.8174.9-174-60162.3163.5164.3-8.1113.9
282S29.5Very low30Very low111 Ų111137.2 Ų137.278%0.77679%0.792SS**  cis-158.5173.52659.30000116.6
283N31.9Very low29.8Very low145 Ų145133.6 Ų133.678%0.77580%0.795SS**  trans-60.2177.1175.4-57.4-2.8000114.8
284N34.6Very low29.6Very low126 Ų126132.2 Ų132.267%0.67480%0.797SS**  cis-163175.921.8-152.924.7000116.4
285D27.7Very low29.7Very low122 Ų122133.5 Ų133.565%0.65280%0.801SS**  trans119.6115.8135.9-89-54.1000124.9
286V34.8Very low29.8Very low126 Ų126129.3 Ų129.376%0.76479%0.794SS**  trans46110.8153.4-78.40000127.6
287K25.5Very low29.9Very low199 Ų199127.9 Ų127.987%0.86580%0.797SS**  101144.9111.3-162.6169.5-177-179.20121.3
288C27.8Very low29.8Very low119 Ų119124.1 Ų124.180%0.80480%0.796SS**  trans-115.4175.4-165.9-25.80000114.4
289S27.3Very low30Very low123 Ų123123.7 Ų123.786%0.8680%0.801SS**  trans-149.7175.8146.7-158.80000110.8
290A31.3Very low31Very low90 Ų90123.3 Ų123.374%0.74480%0.801SS**  trans-151.5-168-17200000110.7
291C33Very low31.1Very low111 Ų111125.1 Ų125.175%0.7580%0.801SS**  cis-164.3176.114.449.10000113.1
292S32.1Very low30.9Very low115 Ų115121.7 Ų121.780%0.80480%0.797SS**  trans92.3133.3145.3-55.30000122.8
293G28.1Very low30.8Very low86 Ų86121.6 Ų121.689%0.88780%0.796SS**  trans100125.2145.100000117.6
294G27.7Very low30.7Very low78 Ų78119.2 Ų119.280%0.80480%0.796SS**  cis-177.2167.5-4.500000114
295S31.2Very low30.5Very low121 Ų121120.7 Ų120.785%0.84680%0.804SS**  trans-47.1169.8178.3-36.50000116.8
296S30.3Very low30.4Very low118 Ų118122.6 Ų122.683%0.82581%0.814SS**  cis-175.3170.1-7.934.40000107.8
297G30.3Very low30.1Very low81 Ų81119.5 Ų119.584%0.83581%0.807SS**  cis128.7111.7-0.600000113.3
298G28.9Very low30.3Very low76 Ų76118.9 Ų118.978%0.78481%0.807SS**  trans168.7166.3178.800000115.1
299L34.1Very low30.5Very low174 Ų174118 Ų11891%0.91180%0.798SS**  trans-139.9177.1175.8-61.9175.1000108.1
300P46.3Very low30.5Very low117 Ų117119.7 Ų119.776%0.7679%0.793SS**  cis-140.9-169.9543.9-24.2000117
301L29.3Very low30.4Very low153 Ų153122.7 Ų122.780%0.80180%0.795SS**  trans77.5109.1143.6-162.468.9000124.1
302M28Very low30.1Very low165 Ų165126.3 Ų126.381%0.81380%0.798SS**  trans66.7140.7137.4-155.2152.276.600125.3
303S27Very low30Very low108 Ų108129.8 Ų129.876%0.75580%0.799SS**  trans86.5126.1158.1-77.50000122.5
304A29.1Very low30Very low95 Ų95130.6 Ų130.679%0.78579%0.791SS**  trans30.4142.3147.800000121.2
305L30Very low30.2Very low158 Ų158132.6 Ų132.683%0.82779%0.792SS**  cis-169.415045.3-165.285.1000111.9
306D27Very low30.2Very low162 Ų162138.8 Ų138.887%0.86680%0.798SS**  trans47.3169158.3-125.3-44000122.6
307G27.8Very low30.1Very low61 Ų61138.6 Ų138.663%0.62980%0.796SS**  trans146.12.5151.200000124.9
308Q29.9Very low29.9Very low185 Ų185139.9 Ų139.986%0.86479%0.792SS**  trans55158.4154.3-150.6-173.9-100.100122.7
309V31.6Very low29.9Very low100 Ų100141.4 Ų141.461%0.60679%0.787SS**  trans100.688.5154.8-167.90000121.1
310Q28.3Very low29.8Very low160 Ų160140.4 Ų140.475%0.74878%0.781SS**  61.5128.8123.8-63.2-17910.900125.3
311L29.5Very low29.2Very low153 Ų153141.6 Ų141.680%0.80179%0.787SS**  trans58.7143.5130.2-52.4169.6000119.2
312K26.8Very low29.2Very low186 Ų186140.1 Ų140.181%0.80978%0.784SS**  cis-175.4135.145.2-171.2172.8178177.20114.2
313K28.9Very low29.2Very low188 Ų188137 Ų13782%0.81778%0.778SS**  trans7.2127.7152.1-54.9172.763.3170.80121.6
314S27.8Very low29.5Very low103 Ų103143.2 Ų143.272%0.7279%0.785SS**  152.8134.6129.748.60000109.9
315S31.9Very low29.5Very low120 Ų120142.3 Ų142.384%0.83978%0.777SS**  cis78.388.418.7-159.30000115.2
316W30.8Very low29.5Very low252 Ų252145.2 Ų145.296%0.95578%0.777SS**  trans-133155.5159.4-8267000108.2
317S28.9Very low29.8Very low113 Ų113143.8 Ų143.879%0.7977%0.765SS**  trans-139-175-169.7-174.80000110.6
318S25.8Very low29.8Very low108 Ų108148 Ų14876%0.75578%0.779SS**  trans81153.2168.6-151.60000116.4
319T28.4Very low29.6Very low109 Ų109148.6 Ų148.667%0.66977%0.774SS**  cis177.1128-47.1-92.40000107.4
320L32.7Very low29.4Very low153 Ų153153 Ų15380%0.80179%0.789SS**  trans47.9135.2161.3-63.9168.3000121.3
321T33.5Very low29.3Very low142 Ų142155.3 Ų155.387%0.87180%0.796SS**  -175.4160.1118.1-75.80000110
322V30Very low29.1Very low122 Ų122152.9 Ų152.974%0.73980%0.798SS**  trans-128.8133.9-170.3-177.90000111.6
323S28.3Very low29.1Very low98 Ų98149.1 Ų149.169%0.68580%0.795SS**  trans153.1129.4134.8-74.60000116.2
324R33Very low29.2Very low240 Ų240145.4 Ų145.491%0.90679%0.788SS**  trans60.2162.3152.6-73.8-170.7159.988.6-2.7118.9
325A28.3Very low29.4Very low76 Ų76147.3 Ų147.363%0.62879%0.79SS**  cis-172.3164.5-31.900000110
326R30.4Very low29.4Very low219 Ų219148.5 Ų148.583%0.82679%0.786SS**  trans68.8161.9164.9-75.8-165.4137.9161.4-1.4117.7
327E32.9Very low29.4Very low131 Ų131141.4 Ų141.461%0.61277%0.767SS**  cis-176.7132.3-39.8-115.8170.7-171.900106.4
328V27.6Very low29.8Very low150 Ų150144.1 Ų144.191%0.90977%0.765SS**  trans-138.6132.4167.3-175.20000110.3
329Y26.6Very low30.2Very low197 Ų197143.1 Ų143.177%0.77376%0.763SS**  trans-99.6156.8-175.6-103.6-99.3000112.7
330Q26.5Very low30.3Very low194 Ų194145.8 Ų145.891%0.90777%0.772SS**  trans-134.7165.9139.8-76.2-157.6-5.200111.1
331K25.8Very low30.8Very low207 Ų207145 Ų14590%0.977%0.773SS**  trans-105.6158.1-159.8-67.1176.51751760114.6
332A25.3Very low30.4Very low102 Ų102148 Ų14884%0.84377%0.774SS**  trans-148.7161.1154.100000110.6
333S27.9Very low30.5Very low108 Ų108146.1 Ų146.176%0.75577%0.771SS**  trans-170.3-178.4-176.961.10000110.4
334V31.6Very low30.2Very low110 Ų110149.5 Ų149.567%0.66778%0.776SS**  cis-157.7151.317.2-119.10000110.8
335N31.3Very low31Very low142 Ų142143.5 Ų143.576%0.75977%0.768SS**  trans64.4159.5152.3-68-41.1000119
336L31.3Very low30.9Very low145 Ų145143.3 Ų143.376%0.75977%0.774SS**  cis-150.8-170.68.3-146.965000107.9
337D32.3Very low31Very low103 Ų103144.1 Ų144.155%0.55178%0.777SS**  cis-155.3-81.55.4-165.433.6000117.8
338K36.3Very low30.8Very low171 Ų171144.3 Ų144.374%0.74379%0.788SS**  trans-152.7177.3-154.6-82-179.8-16072.10112.7
339A33.3Very low30.8Very low87 Ų87141.7 Ų141.772%0.71978%0.775SS**  cis-179.6-174.1-29.500000106.9
340L32.4Very low31Very low165 Ų165140.3 Ų140.386%0.86478%0.775SS**  cis-154.1-159.20.7-162.845.8000109.4
341V42.6Very low30.9Very low135 Ų135139.1 Ų139.182%0.81877%0.767SS**  trans-138.7155.9-171.21760000113.7
342K25.1Very low31.3Very low207 Ų207135 Ų13590%0.975%0.754SS**  trans-157.2164.2159.7-145.8176.4-178.5-177.30113.1
343A31.3Very low31.4Very low81 Ų81137.3 Ų137.367%0.66975%0.748SS**  trans-154.6168-17300000116.5
344E23.1Very low31.8Very low170 Ų170138.2 Ų138.279%0.79475%0.748SS**  trans66.4161.2163.9-67.1-49.5136.100121.4
345P48.5Very low32.2Very low113 Ų113138.6 Ų138.673%0.73475%0.753SS**  cis-141.7147.4-22.833-12.6000118.8
346G27.5Very low32.3Very low73 Ų73139.6 Ų139.675%0.75375%0.753SS**  trans94.8147.5130.700000126.6
347R32.7Very low32.6Very low235 Ų235138.7 Ų138.789%0.88775%0.749SS**  trans106.7127144.6-56.9-178.4-169.3-92.1-2.3123.5
348T26.8Very low32.9Very low136 Ų136139.3 Ų139.383%0.83475%0.752SS**  trans68.8153.614843.90000122.6
349C27.8Very low32.6Very low95 Ų95141.6 Ų141.664%0.64276%0.756SS**  cis-172.7165.4-31.8-138.50000115.4
350H30.9Very low32.3Very low167 Ų167143.3 Ų143.377%0.77376%0.763SS**  trans65.7156.7161.1-58.6-52.6000120.8
351F24.7Very low32.1Very low169 Ų169138.4 Ų138.474%0.74175%0.752SS**  cis-161151.528.3-165.5-139.5000114.9
352L34.9Very low31.3Very low121 Ų121142.4 Ų142.463%0.63476%0.759SS**  trans62.9155160.2-75.6-174.2000121.7
353Q27.4Very low31.9Very low150 Ų150137.8 Ų137.870%0.70175%0.753SS**  cis-158.4157.7-11.3-177.8161.5-0.800112
354V35.6Very low32.3Very low127 Ų127139.3 Ų139.377%0.7776%0.756SS**  trans-138.1146.2167.1176.20000110
355P40.5Very low32.7Very low119 Ų119138.1 Ų138.177%0.77376%0.76SS**  trans-110.2162.7151.6-526.2000113.2
356Q33Very low31.7Very low163 Ų163136 Ų13676%0.76276%0.759SS**  trans-124.8-172.5-160.8-157.5-175.6-83.800112.1
357D38.7Very low31.8Very low126 Ų126141.8 Ų141.867%0.67476%0.763SS**  trans96.7131151.6-56.5-20.7000119.1
358D36.9Very low31.8Very low115 Ų115138.2 Ų138.262%0.61576%0.762SS**  cis-164.6-178.4-22-146.2-12.8000112.8
359W30.3Very low31.9Very low219 Ų219138.2 Ų138.283%0.8376%0.757SS**  trans108.1103.7153.1-60.5106000120.3
360S27.1Very low32.1Very low123 Ų123141.6 Ų141.686%0.8676%0.763SS**  trans62.3157.8145.775.50000120.2
361G28Very low32.6Very low62 Ų62140.9 Ų140.964%0.63976%0.763SS**  cis159.5122-14.100000114.2
362F26.9Very low33.4Very low219 Ų219138.5 Ų138.596%0.96177%0.765SS**  trans59.8164.2169-69.3-85000119.1
363S36.8Very low33.8Very low111 Ų111138.6 Ų138.678%0.77677%0.774SS**  trans-126.3137.8167.9172.40000108.7
364P39.3Very low34.2Very low113 Ų113143.1 Ų143.173%0.73479%0.785SS**  trans-140.7151.6144.137.8-24.3000115.4
365V32.1Very low34.4Very low144 Ų144147.4 Ų147.487%0.87379%0.787SS**  trans12.2129.5138.2-172.90000119.3
366G28.1Very low34Very low68 Ų68149.9 Ų149.970%0.70179%0.791SS**  trans147.1105.6169.400000108.8
367K30.1Very low34.2Very low195 Ų195152.6 Ų152.685%0.84879%0.794SS**  cis57.190.839.3-76-163.2175.1-168.90113.3
368D31.4Very low34.3Very low161 Ų161152 Ų15286%0.86180%0.8SS**  trans-164.2131.7158.7-162.471.9000108.5
369D29.5Very low34.2Very low136 Ų136150.2 Ų150.273%0.72781%0.808SS**  -144.5173.3-51.7-139.4-21.8000112.7
370E32.2Very low34.8Very low166 Ų166145.6 Ų145.678%0.77681%0.809SS**  trans31.394.4153.5-157156.6-13400121.5
371I42.2Very low35.1Very low151 Ų151149.1 Ų149.177%0.77481%0.805SS**  21.1119.5123-62.4172.2000116.5
372P41.6Very low35.5Very low119 Ų119152.7 Ų152.777%0.77381%0.808SS**  -147.6136.510135.6-19.1000117.6
373C43.3Very low36.2Very low123 Ų123150.7 Ų150.783%0.83180%0.799SS**  trans-70.7125.2161.8-55.30000111.2
374R34.4Very low36.5Very low245 Ų245148.9 Ų148.993%0.92579%0.791SS**  trans-165.8150.1156.9-117.7162.2-177.4-179.30.7115.6
375R40.2Very low36.8Very low217 Ų217152.1 Ų152.182%0.81980%0.798SS**  trans62.6117.9175.6-75.2168.757.4-164.8-4.2114.5
376M33.3Very low37.4Very low172 Ų172149.8 Ų149.885%0.84779%0.794SS**  cis57.2109.936.2-53.4-179.168.200115.6
377R36.4Very low37.9Very low219 Ų219155.5 Ų155.583%0.82680%0.803SS**  trans162.9108135.3-90.6175.1172.5166.2-1.2106.9
378S41Very low38.5Very low114 Ų114155.2 Ų155.280%0.79780%0.804SS**  67.7111.175.375.50000113.1
379G34.3Very low39.1Very low77 Ų77154.6 Ų154.679%0.79480%0.801SS**  trans-179.113017400000110.5
380S43.7Very low39.4Very low122 Ų122153.2 Ų153.285%0.85380%0.802SS**  trans-137.5156.3172.5-70.50000109
381Y32.1Very low39.6Very low198 Ų198148.4 Ų148.478%0.77680%0.797SS**  trans79.7171.3164.6-150.1-103.3000118
382I36.1Very low39.3Very low136 Ų136149 Ų14970%0.69780%0.802SS**  trans69.9118.4-173.2-49176.8000111.8
383K41.5Very low38.9Very low178 Ų178147.9 Ų147.977%0.77480%0.797SS**  cis57.4112.30.4-164.4167.3-176.2176.20118.6
384A43.5Very low38.3Very low72 Ų72149.5 Ų149.560%0.59580%0.797SS**  trans73.3104.8175.100000115.8
385M45.4Very low38Very low181 Ų181143.2 Ų143.289%0.89279%0.79SS**  -170.6160.799.2-80.1-43.3-158.800109.2
386A44.6Very low38Very low96 Ų96138.6 Ų138.679%0.79379%0.791SS**  trans99.775.7-159.800000111.3
387E40.3Very low38.3Very low187 Ų187135.5 Ų135.587%0.87478%0.783SS**  cis75.3114.345.5-158176.2-115.800113.2
388E41.6Very low38.3Very low190 Ų190134.3 Ų134.389%0.88878%0.784SS**  trans-168.8148.6154.7-98.2-55.9151.300105.7
389D43.8Very low38.4Very low147 Ų147134.2 Ų134.279%0.78678%0.781SS**  trans-126.9162.8-152.7-166.431000116.8
390S36.3Very low38.1Very low107 Ų107135.4 Ų135.475%0.74878%0.777SS**  trans12.3133.4156.2-170.60000122
391G35.7Very low38.1Very low66 Ų66135 Ų13568%0.6877%0.771SS**  trans153.4113.5143.200000116.8
392D35.6Very low38.6Very low163 Ų163135 Ų13587%0.87278%0.775SS**  trans79.4151.3173.4-79-28.9000119.5
393S34.5Very low39Very low95 Ų95134.9 Ų134.966%0.66478%0.781SS**  cis-173.9159.8-33.5-102.10000108.2
394D30.4Very low39.2Very low158 Ų158135.3 Ų135.385%0.84579%0.785SS**  trans21.4117.1168.2-73.3-35.7000120.7
395C28.6Very low39.3Very low113 Ų113136 Ų13676%0.76479%0.791SS**  172.1141.588.8-172.20000111.8
396S38.6Very low39.4Very low120 Ų120138.3 Ų138.384%0.83979%0.79SS**  trans-112.5117.8165.6-169.90000111
397P40.4Very low39.5Very low107 Ų107144.3 Ų144.370%0.69579%0.792SS**  trans-139153.6145.830.4-12.3000114.9
398K35.7Very low39.6Very low194 Ų194138.9 Ų138.984%0.84378%0.779SS**  trans-74.2174.1164.7-58.1169-176.4171.20109.8
399P43.9Very low39.9Very low112 Ų112135 Ų13573%0.72777%0.773SS**  cis-133.5-147.3-29.329.3-5.2000111.2
400S28.4Very low39.9Very low101 Ų101138.3 Ų138.371%0.70678%0.776SS**  trans85.7159.5152.2-59.80000119
401P42.8Very low40.3Very low113 Ų113140 Ų14073%0.73478%0.776SS**  cis-13861.8-3837.2-19.4000112.5
402K42.4Very low40.7Very low199 Ų199146 Ų14687%0.86578%0.783SS**SBendtrans-1263-170.9-83.9179.9177.7171.10118.7
403V44.2Very low41.1Very low133 Ų133142.6 Ų142.681%0.80678%0.778SS**SBendtrans-93.9-22.9-178.7-178.90000113.5A405V403-A405 VanDerWaalsContact C-N 3.26Å; V403-A405 PolarHBondContact O-N 3.18Å; V403-A405 VanDerWaalsContact O-N 3.17Å
404Q47.6Very low41.6Very low188 Ų188143.9 Ų143.988%0.87978%0.782SS**THydrogen-bonded Turntrans-68.6-18-170.6-154.5167.48.800114.5
405A45.1Very low41.8Very low87 Ų87143.6 Ų143.672%0.71978%0.775SS**THydrogen-bonded Turntrans-79-16.3-175.600000115.4V403V403-A405 VanDerWaalsContact C-N 3.26Å; V403-A405 PolarHBondContact O-N 3.18Å; V403-A405 VanDerWaalsContact O-N 3.17Å
406R48Very low42.1Very low229 Ų229143.8 Ų143.886%0.86478%0.775SS**SBendtrans-93-16.2-174.6-75.9-173.6174.5176.6-1.1115.3
407R45.3Very low42Very low221 Ų221142.6 Ų142.683%0.83477%0.767SS**SBendtrans-85.9-14.8-178.3-135.7173.1-174.9120.4-1.1114
408A42.5Very low42Very low73 Ų73145.5 Ų145.560%0.60378%0.776SS**SBendtrans-80.7-2118000000114.4Y410A408-Y410 VanDerWaalsContact C-N 3.34Å; A408-Y410 PolarHBondContact O-N 3.34Å
409S48.3Very low42.1Very low108 Ų108141.9 Ų141.976%0.75577%0.77SS**THydrogen-bonded Turntrans-77.5-14.4-173-167.80000114.8
410Y42.9Very low41.7Very low217 Ų217145.9 Ų145.985%0.85178%0.779SS**THydrogen-bonded Turntrans-99.5-11.1-175.4-146.7-98.3000113.2A408A408-Y410 VanDerWaalsContact C-N 3.34Å; A408-Y410 PolarHBondContact O-N 3.34Å
411L44.7Very low41.8Very low142 Ų142149.9 Ų149.974%0.74379%0.789SS**SBendtrans-99.510.1-176.4-79.7167.2000114.1
412K45.1Very low41.3Very low194 Ų194150.7 Ų150.784%0.84379%0.791SS**SBendtrans-116.822.1-177.5-137.3-168.9-177.4-165.40115
413A43.8Very low40.8Very low91 Ų91147.3 Ų147.375%0.75279%0.788SS**SBendtrans-116-1.9-177.400000114.9
414T46.1Very low40.1Very low122 Ų122149.5 Ų149.575%0.74879%0.794SS**SBendtrans-138.662.8-179.554.40000111.1
415Q32.9Very low39.2Very low152 Ų152150.1 Ų150.171%0.7179%0.794SS**  trans-147.3112175.7-93.2-68-6.100109.6S417Q415-S417 PolarHBondContact O-N 3.44Å
416P36.3Very low38.4Very low117 Ų117153.8 Ų153.876%0.7680%0.799SS**  trans-88.778.5175.434.8-32.1000110.7L418P416-L418 PolarHBondContact O-N 3.37Å
417S35.2Very low37.4Very low95 Ų95148.1 Ų148.166%0.66480%0.795SS**  trans-78.3105.2-178.6560000112.8Q415 T419Q415-S417 PolarHBondContact O-N 3.44Å; S417-T419 PolarHBondContact O-N 3.01Å; S417-T419 VanDerWaalsContact O-N 3.1Å
418L40Very low36.8Very low168 Ų168143.2 Ų143.288%0.8879%0.79SS**  trans-69.992.9160.5-81.488.9000110.3P416P416-L418 PolarHBondContact O-N 3.37Å
419T39.5Very low36.1Very low117 Ų117147.5 Ų147.572%0.71880%0.797SS**  trans-162.991.8159.8450000110.9S417S417-T419 PolarHBondContact O-N 3.01Å; S417-T419 VanDerWaalsContact O-N 3.1Å
420E35.6Very low35.3Very low196 Ų196150.3 Ų150.392%0.91680%0.798SS**  trans-17465.9152.9-109.3166.3-137.800111.4
421M28.9Very low34.6Very low186 Ų186145.6 Ų145.692%0.91680%0.797SS**  trans-135.759167.9-103.6-142.473.900111.9
422T33Very low34.3Very low129 Ų129144 Ų14479%0.79180%0.795SS**  trans-145.3155.3165.1-28.60000109.8
423T32.5Very low33.5Very low128 Ų128143.6 Ų143.679%0.78579%0.793SS**  trans60.674.4174.766.80000117.7
424L28.5Very low32.8Very low179 Ų179147.5 Ų147.594%0.93780%0.801SS**  -135154.3120-83-170.8000109.5
425K28.3Very low32.2Very low202 Ų202150.5 Ų150.588%0.87881%0.806SS**PPolyproline II helixtrans-83145.2-172.8-71.6-172.4175.7-175.30111.9S427K425-S427 PolarHBondContact O-N 2.89Å
426I28.3Very low32.1Very low163 Ų163150.8 Ų150.884%0.83681%0.811SS**PPolyproline II helixtrans-69.1121.1157.1-60.8169.1000107.7
427S28.6Very low31.7Very low111 Ų111155.3 Ų155.378%0.77681%0.813SS**PPolyproline II helixtrans-102.8119.6155.852.10000108K425 E429K425-S427 PolarHBondContact O-N 2.89Å; S427-E429 PolarHBondContact O-N 3.45Å
428T31.7Very low31.5Very low118 Ų118155.3 Ų155.372%0.72481%0.813SS**PPolyproline II helixtrans-49.1124.8175-47.80000111.7
429E28.7Very low31.1Very low162 Ų162155.5 Ų155.576%0.75781%0.809SS**  -179.7155.4107.347-133.515100114.7S427S427-E429 PolarHBondContact O-N 3.45Å
430H31.6Very low30.6Very low168 Ų168154.1 Ų154.178%0.77880%0.804SS**  trans70.697.2171.6-54.6-50.7000121.9
431S26.8Very low30.6Very low117 Ų117154.7 Ų154.782%0.81880%0.8SS**  trans78.4155.5131.4-71.10000120.9
432P38.4Very low31.1Very low109 Ų109154.1 Ų154.171%0.70880%0.799SS**  trans-131.4161.4-13542.1-27.4000118.5
433K28.3Very low30.9Very low185 Ų185159.5 Ų159.580%0.80481%0.805SS**  trans60.288.8150.4-69.5172.6-179.7-179.10118.5
434L30.3Very low30.7Very low174 Ų174158 Ų15891%0.91181%0.806SS**  trans-113.8121.4131.2-69.8176000108
435Q32.8Very low31Very low184 Ų184156.2 Ų156.286%0.8680%0.802SS**  trans-118.195.3171.9-85.9-165.6-52.800110.1R437Q435-R437 PolarHBondContact O-N 2.99Å
436I29.8Very low30.9Very low158 Ų158151.8 Ų151.881%0.8180%0.796SS**  trans-69.1116164.4-62.4171.5000107.2
437R29.6Very low31Very low212 Ų212152.7 Ų152.780%0.880%0.797SS**  trans-100.575.1179.5-170.2-168.6175.1105.83.3110.7Q435 H439Q435-R437 PolarHBondContact O-N 2.99Å; R437-H439 PolarHBondContact O-N 3.43Å
438S31.1Very low30.9Very low96 Ų96154 Ų15467%0.67180%0.8SS**  trans-76119.3172.537.70000111.6
439H31.6Very low30.6Very low171 Ų171153.4 Ų153.479%0.79280%0.801SS**  trans38.7100.2163.4-68.3-86.4000119.7R437R437-H439 PolarHBondContact O-N 3.43Å
440S27.5Very low30.8Very low89 Ų89153.4 Ų153.462%0.62281%0.805SS**  trans-102.680.3149.460.80000110.2
441Y35.5Very low30.8Very low208 Ų208152.7 Ų152.782%0.81681%0.806SS**  trans-101.3156.8160.6-120.2-104.6000108.6
442L39Very low31Very low174 Ų174156.5 Ų156.591%0.91180%0.803SS**SBendtrans71.152.5-171.6-49.9-179000116.4
443R28.9Very low30.4Very low241 Ų241156.9 Ų156.991%0.90981%0.808SS**  trans-151.782.5151-173.1-175.5-75.3169.2-4.5111.9
444A29.7Very low30.5Very low98 Ų98153.7 Ų153.781%0.8180%0.799SS**  trans-166.857.9166.500000113.2
445V33.5Very low30.5Very low140 Ų140152.7 Ų152.785%0.84880%0.795SS**SBendtrans-139.6132.7156.7-174.60000107.1
446S27.7Very low30.3Very low109 Ų109149.4 Ų149.476%0.76279%0.792SS**  trans63.6146.2-160.878.20000113.5
447E29.6Very low30.5Very low182 Ų182150 Ų15085%0.8580%0.796SS**  cis-122.2-1577.2-62-175.4134.100112.7
448V26.7Very low30.4Very low139 Ų139146.9 Ų146.984%0.84280%0.795SS**  trans78.8113.2-170.4-172.90000113.6
449S26.3Very low30.7Very low106 Ų106148 Ų14874%0.74180%0.801SS**  cis165.4138.4-26.448.20000105.1
450I32.7Very low30.8Very low162 Ų162144.6 Ų144.683%0.83180%0.801SS**  trans-91.2132.8-167.4-57.9162.2000112
451N30.7Very low31.5Very low152 Ų152143.5 Ų143.581%0.81381%0.805SS**  trans-165.4156.2150.6-89.3-53.4000111.8
452R30.7Very low31.4Very low198 Ų198141.8 Ų141.875%0.74781%0.809SS**  cis-171.9114.3-41.3-177179.5-174.1-149.91.4111.2
453S26.5Very low31Very low117 Ų117141.6 Ų141.682%0.81881%0.808SS**  trans-160134.4150.447.20000107.1
454L31Very low31.1Very low117 Ų117134.2 Ų134.261%0.61380%0.798SS**  cis78.685.215.5-147.8177.8000114.5
455D28.8Very low31Very low153 Ų153134.9 Ų134.982%0.81880%0.797SS**  trans-156.7155.8137.5-104.1-35.7000111.2
456S28.6Very low30.9Very low116 Ų116134.2 Ų134.281%0.81180%0.796SS**  trans55.199.1174-71.80000121.6
457L34.4Very low31Very low171 Ų171137.7 Ų137.790%0.89580%0.797SS**  trans-12.5139.9142.2-47.1170.7000116.1
458D28.2Very low31Very low145 Ų145139.2 Ų139.278%0.77580%0.801SS**  -174.9149.159.8-175.946.8000110.4
459P36.3Very low31.6Very low121 Ų121140.7 Ų140.779%0.78679%0.791SS**  trans-114.985.8-164.239.1-27.1000115.9
460A35.5Very low32.2Very low98 Ų98139.5 Ų139.581%0.8178%0.783SS**  trans-143.251.9176.600000115.3
461G41.8Very low32.5Very low67 Ų67143 Ų14369%0.69179%0.786SS**  trans-175.9166.5173.500000115.7
462L32.5Very low32.7Very low172 Ų172141.4 Ų141.490%0.90178%0.777SS**  trans65.944167.5-51.5-177.1000118.6
463L30.4Very low33.3Very low170 Ų170134.7 Ų134.789%0.8975%0.754SS**  trans-93.866.1151-77.5-177.1000111.3
464A32.1Very low34.1Very low86 Ų86132.4 Ų132.471%0.71174%0.738SS**  trans-145.658.4179.800000113.4
465S27.1Very low35Very low112 Ų112134.4 Ų134.478%0.78374%0.739SS**SBendtrans-159150156.9-87.90000112.3K467S465-K467 PolarHBondContact O-N 3.17Å
466P30.7Very low36Very low126 Ų126133.3 Ų133.382%0.81873%0.73SS**PPolyproline II helixtrans-74.7126.5-169.3-1632.1000112.6
467K30.9Very low37.2Very low181 Ų181134.2 Ų134.279%0.78772%0.716SS**PPolyproline II helixtrans-74.3126.6171.3-66.5-178.71801790109.8S465 R469S465-K467 PolarHBondContact O-N 3.17Å; K467-R469 PolarHBondContact O-N 3.41Å; K467-R469 VanDerWaalsContact O-N 3.13Å
468F30.3Very low37.9Very low215 Ų215128.9 Ų128.994%0.94370%0.697SS**PPolyproline II helixtrans-51.2117.9169.8-96.6-108.5000110.2
469R37.3Very low38.4Very low169 Ų169127.2 Ų127.264%0.63869%0.686SS**PPolyproline II helixtrans-72.5140.1165.8-69.4-89.1-179.4158.82.1108K467 E473K467-R469 PolarHBondContact O-N 3.41Å; K467-R469 VanDerWaalsContact O-N 3.13Å; R469-E473 WeakPolarHBondContact CD-OE2 3.36Å; R469-E473 IonicContact CZ-OE1 3.07Å; R469-E473 IonicContact CZ-OE2 3.89Å; R469-E473 IonicContact NE-OE2 3.71Å; R469-E473 IonicContact NH1-OE1 2.81Å; R469-E473 PolarHBondContact NH1-OE1 3.03Å; R469-E473 IonicContact NH1-OE2 2.81Å; R469-E473 PolarHBondContact NH1-OE2 3.48Å
470S39.9Very low38.7Very low81 Ų81125.1 Ų125.157%0.56667%0.674SS**PPolyproline II helixtrans-65.8142.4177.265.20000110.3N472 E473S470-N472 PolarHBondContact O-N 2.89Å; S470-E473 PolarHBondContact O-N 3.29Å
471R39Very low39.1Very low235 Ų235125.2 Ų125.289%0.88766%0.664SS**Hα-helixtrans-59.1-11.3-172.8-166171.8-178.3163.8-0.6114.6S474R471-S474 PolarHBondContact O-OG 3.35Å
472N35.9Very low39.3Very low119 Ų119128.5 Ų128.564%0.63667%0.665SS**Hα-helixtrans-85.2-30.2177.9-156.322.8000112.9S470S470-N472 PolarHBondContact O-N 2.89Å
473E41.7Very low39.8Very low57 Ų57125 Ų12527%0.26666%0.655SS.*Hα-helixtrans-75.6-32.4-175.1-153.7-152.6130.900112.5R469 S470 R477R469-E473 WeakPolarHBondContact CD-OE2 3.36Å; R469-E473 IonicContact CZ-OE1 3.07Å; R469-E473 IonicContact CZ-OE2 3.89Å; R469-E473 IonicContact NE-OE2 3.71Å; R469-E473 IonicContact NH1-OE1 2.81Å; R469-E473 PolarHBondContact NH1-OE1 3.03Å; R469-E473 IonicContact NH1-OE2 2.81Å; R469-E473 PolarHBondContact NH1-OE2 3.48Å; S470-E473 PolarHBondContact O-N 3.29Å; E473-R477 PolarHBondContact O-N 3.45Å; E473-R477 IonicContact OE1-CZ 3.2Å; E473-R477 IonicContact OE1-NH1 2.81Å; E473-R477 PolarHBondContact OE1-NH1 3.09Å; E473-R477 IonicContact OE1-NH2 2.7Å; E473-R477 PolarHBondContact OE1-NH2 2.97Å
474S43.2Very low40.3Very low69 Ų69125.3 Ų125.348%0.48365%0.652SS.*Hα-helixtrans-68.7-37.4177.949.50000112.7R471 R477 A478R471-S474 PolarHBondContact O-OG 3.35Å; S474-R477 PolarHBondContact O-N 3.15Å; S474-A478 WeakPolarHBondContact O-CB 3.39Å; S474-A478 PolarHBondContact O-N 3.4Å
475Y49.8Very low40.5Very low160 Ų160125.8 Ų125.863%0.62765%0.645SS**Hα-helixtrans-63.3-47.7178.8-171.2-106.5000111.5R477 A478 M479Y475-R477 PolarHBondContact O-N 3.22Å; Y475-A478 PolarHBondContact O-N 3.45Å; Y475-M479 HydrophobicContact CE1-CG 4.42Å; Y475-M479 WeakPolarHBondContact O-CG 3.28Å; Y475-M479 PolarHBondContact O-N 3.03Å; Y475-M479 VanDerWaalsContact O-N 3.09Å
476M51.5Low41.1Very low129 Ų129124 Ų12464%0.63563%0.633SS**Hα-helixtrans-65.8-35.1176.1-62.5-151.2-56.200112.8S480M476-S480 VanDerWaalsContact O-CB 3.32Å; M476-S480 WeakPolarHBondContact O-CB 3.34Å; M476-S480 PolarHBondContact O-N 3.41Å
477R53.3Low41.8Very low136 Ų136126 Ų12651%0.51363%0.631SS.*Hα-helixtrans-67.2-42176.3-175.2167.9-71.6115.211112.3E473 S474 Y475 S480 T481E473-R477 PolarHBondContact O-N 3.45Å; E473-R477 IonicContact OE1-CZ 3.2Å; E473-R477 IonicContact OE1-NH1 2.81Å; E473-R477 PolarHBondContact OE1-NH1 3.09Å; E473-R477 IonicContact OE1-NH2 2.7Å; E473-R477 PolarHBondContact OE1-NH2 2.97Å; S474-R477 PolarHBondContact O-N 3.15Å; Y475-R477 PolarHBondContact O-N 3.22Å; R477-S480 PolarHBondContact O-N 3.34Å; R477-T481 PolarHBondContact O-N 3.37Å; R477-T481 VanDerWaalsContact O-N 3.15Å; R477-T481 PolarHBondContact O-OG1 3.03Å
478A48.1Very low42.7Very low59 Ų59123.3 Ų123.349%0.48863%0.63SS.*Hα-helixtrans-64-41.817700000112.3S474 Y475 S480 T481S474-A478 WeakPolarHBondContact O-CB 3.39Å; S474-A478 PolarHBondContact O-N 3.4Å; Y475-A478 PolarHBondContact O-N 3.45Å; A478-S480 VanDerWaalsContact C-N 3.34Å; A478-T481 PolarHBondContact O-N 3.29Å; A478-T481 PolarHBondContact O-OG1 3.38Å
479M38.8Very low43.8Very low109 Ų109120 Ų12054%0.53762%0.617SS.*Hα-helixtrans-65-36.9172.5-67.1-64.6-69.600112Y475 T481 I482Y475-M479 HydrophobicContact CE1-CG 4.42Å; Y475-M479 WeakPolarHBondContact O-CG 3.28Å; Y475-M479 PolarHBondContact O-N 3.03Å; Y475-M479 VanDerWaalsContact O-N 3.09Å; M479-T481 VanDerWaalsContact C-N 3.33Å; M479-T481 PolarHBondContact O-N 2.94Å; M479-I482 WeakPolarHBondContact O-CG2 3.47Å; M479-I482 PolarHBondContact O-N 2.9Å
480S43Very low44.5Very low78 Ų78115.5 Ų115.555%0.54561%0.609SS.*Hα-helixtrans-68.2-28179.4-170.70000113.7M476 R477 A478M476-S480 VanDerWaalsContact O-CB 3.32Å; M476-S480 WeakPolarHBondContact O-CB 3.34Å; M476-S480 PolarHBondContact O-N 3.41Å; R477-S480 PolarHBondContact O-N 3.34Å; A478-S480 VanDerWaalsContact C-N 3.34Å
481T44.5Very low45Very low99 Ų99116.3 Ų116.361%0.60761%0.607SS**Hα-helixtrans-78.3-21.5176.940.30000113.8R477 A478 M479 S483R477-T481 PolarHBondContact O-N 3.37Å; R477-T481 VanDerWaalsContact O-N 3.15Å; R477-T481 PolarHBondContact O-OG1 3.03Å; A478-T481 PolarHBondContact O-N 3.29Å; A478-T481 PolarHBondContact O-OG1 3.38Å; M479-T481 VanDerWaalsContact C-N 3.33Å; M479-T481 PolarHBondContact O-N 2.94Å; T481-S483 VanDerWaalsContact C-N 3.27Å; T481-S483 PolarHBondContact O-N 3.34Å
482I44.5Very low45.6Very low136 Ų136107 Ų10770%0.69758%0.584SS**THydrogen-bonded Turntrans-80.1-10.8177.5-136.6168.8000112.7M479M479-I482 WeakPolarHBondContact O-CG2 3.47Å; M479-I482 PolarHBondContact O-N 2.9Å
483S44.7Very low46.3Very low99 Ų99108 Ų10869%0.69258%0.584SS**THydrogen-bonded Turntrans-95.310.8-178.3-171.50000114.3T481T481-S483 VanDerWaalsContact C-N 3.27Å; T481-S483 PolarHBondContact O-N 3.34Å
484Q39.7Very low46.8Very low176 Ų176109.9 Ų109.982%0.82260%0.596SS**SBendtrans-12925.9-179.9-69.5-163.7-21.700113.9
485V36.1Very low47.4Very low96 Ų96113.2 Ų113.258%0.58260%0.603SS**SBendtrans-117.5127.5164-176.90000107.8V490V485-V490 HydrophobicContact CG1-CG2 4.14Å
486S40.1Very low47.4Very low75 Ų75108.1 Ų108.152%0.52459%0.594SS.*  trans-78.4135.7-175.946.60000112.5V488 E489S486-V488 PolarHBondContact O-N 3.09Å; S486-E489 PolarHBondContact O-N 2.65Å
487E45.2Very low47.5Very low167 Ų167106.5 Ų106.578%0.7859%0.592SS**Hα-helixtrans-60.7-5.3-178.8-60.3178.2120.900115.1N491E487-N491 PolarHBondContact O-ND2 2.79Å
488V51.2Low47.3Very low126 Ų126103.2 Ų103.276%0.76459%0.589SS**Hα-helixtrans-80.4-36.7-178.3-179.40000112.4S486S486-V488 PolarHBondContact O-N 3.09Å
489E52.3Low47.4Very low144 Ų144107.4 Ų107.467%0.67360%0.598SS**Hα-helixtrans-86.2-34.8-171.8-163.7165.2-158.200112.3S486 Q493S486-E489 PolarHBondContact O-N 2.65Å; E489-Q493 PolarHBondContact O-N 2.69Å
490V51.7Low48Very low76 Ų76106 Ų10646%0.46160%0.6SS.*Hα-helixtrans-72.5-33.3179.6-179.30000112.4V485 I494V485-V490 HydrophobicContact CG1-CG2 4.14Å; V490-I494 HydrophobicContact CG1-CD1 3.95Å; V490-I494 WeakPolarHBondContact O-CG1 3.1Å; V490-I494 PolarHBondContact O-N 3.03Å
491N50Low48.3Very low98 Ų98106.8 Ų106.852%0.52460%0.601SS.*Hα-helixtrans-68.1-47.6179.1-83.1-46.7000112.1E487 Q493 I494 E495E487-N491 PolarHBondContact O-ND2 2.79Å; N491-Q493 VanDerWaalsContact C-N 3.28Å; N491-Q493 PolarHBondContact O-N 3.07Å; N491-I494 PolarHBondContact O-N 2.89Å; N491-E495 PolarHBondContact O-N 2.98Å
492G53.2Low48.4Very low39 Ų39108.3 Ų108.340%0.40260%0.599SS.*Hα-helixtrans-62.3-33.6179.300000113.4I494 A496G492-I494 VanDerWaalsContact C-N 3.33Å; G492-A496 WeakPolarHBondContact O-CB 3.19Å; G492-A496 PolarHBondContact O-N 2.96Å; G492-A496 VanDerWaalsContact O-N 3.09Å
493Q49.1Very low48.4Very low139 Ų139105.3 Ų105.365%0.6559%0.59SS**Hα-helixtrans-69-30.8175.1-156.49982.500112.5E489 N491 V497E489-Q493 PolarHBondContact O-N 2.69Å; N491-Q493 VanDerWaalsContact C-N 3.28Å; N491-Q493 PolarHBondContact O-N 3.07Å; Q493-V497 VanDerWaalsContact O-CG2 3.29Å; Q493-V497 WeakPolarHBondContact O-CG2 3.41Å; Q493-V497 PolarHBondContact O-N 3.48Å
494I53.9Low48.5Very low98 Ų98108.5 Ų108.550%0.50359%0.594SS.*Hα-helixtrans-80.8-41.7178.1-69.5172000111.1V490 N491 G492 V497 C498V490-I494 HydrophobicContact CG1-CD1 3.95Å; V490-I494 WeakPolarHBondContact O-CG1 3.1Å; V490-I494 PolarHBondContact O-N 3.03Å; N491-I494 PolarHBondContact O-N 2.89Å; G492-I494 VanDerWaalsContact C-N 3.33Å; I494-V497 PolarHBondContact O-N 2.83Å; I494-C498 PolarHBondContact O-N 2.78Å; I494-C498 PolarHBondContact O-SG 3.44Å; I494-C498 VanDerWaalsContact O-SG 3.36Å
495E54.2Low48.9Very low138 Ų138107.6 Ų107.665%0.64559%0.592SS**Hα-helixtrans-60-46.7173.5-81.1-176.8134.100111.5N491 V497 C498 E499N491-E495 PolarHBondContact O-N 2.98Å; E495-V497 VanDerWaalsContact C-N 3.34Å; E495-V497 PolarHBondContact O-N 3.23Å; E495-C498 CarbonylContact O-C 3.53Å; E495-C498 PolarHBondContact O-N 3.43Å; E495-E499 PolarHBondContact O-N 3.34Å
496A50.8Low49.2Very low53 Ų53110.5 Ų110.544%0.43860%0.599SS.*Hα-helixtrans-61.1-38.5178.800000113.5G492 C498 S500G492-A496 WeakPolarHBondContact O-CB 3.19Å; G492-A496 PolarHBondContact O-N 2.96Å; G492-A496 VanDerWaalsContact O-N 3.09Å; A496-C498 VanDerWaalsContact C-N 3.35Å; A496-S500 VanDerWaalsContact O-CB 3.28Å; A496-S500 WeakPolarHBondContact O-CB 3.37Å; A496-S500 PolarHBondContact O-N 3.03Å
497V53.1Low49.4Very low96 Ų96111 Ų11158%0.58260%0.602SS**Hα-helixtrans-72.2-29.5175.8171.20000111.6Q493 I494 E495 V501Q493-V497 VanDerWaalsContact O-CG2 3.29Å; Q493-V497 WeakPolarHBondContact O-CG2 3.41Å; Q493-V497 PolarHBondContact O-N 3.48Å; I494-V497 PolarHBondContact O-N 2.83Å; E495-V497 VanDerWaalsContact C-N 3.34Å; E495-V497 PolarHBondContact O-N 3.23Å; V497-V501 VanDerWaalsContact O-CG2 3.32Å; V497-V501 WeakPolarHBondContact O-CG2 3.44Å
498C48.5Very low49.4Very low66 Ų66112.2 Ų112.245%0.44661%0.608SS.*Hα-helixtrans-72.6-48.7171.7-71.40000112.4I494 E495 A496 S500 V501 F502I494-C498 PolarHBondContact O-N 2.78Å; I494-C498 PolarHBondContact O-SG 3.44Å; I494-C498 VanDerWaalsContact O-SG 3.36Å; E495-C498 CarbonylContact O-C 3.53Å; E495-C498 PolarHBondContact O-N 3.43Å; A496-C498 VanDerWaalsContact C-N 3.35Å; C498-S500 VanDerWaalsContact C-N 3.35Å; C498-S500 PolarHBondContact O-N 3.27Å; C498-V501 PolarHBondContact O-N 3.34Å; C498-F502 WeakPolarHBondContact O-CD2 3.17Å; C498-F502 PolarHBondContact O-N 3.48Å; C498-F502 VanDerWaalsContact O-N 3.15Å
499E50.6Low48.9Very low147 Ų147110 Ų11069%0.68760%0.604SS**Hα-helixtrans-60-43.9177.8-76.2-168.6125.500111.7E495 V501 F502 S503E495-E499 PolarHBondContact O-N 3.34Å; E499-V501 PolarHBondContact O-N 3.15Å; E499-F502 PolarHBondContact O-N 2.82Å; E499-S503 VanDerWaalsContact O-CB 3.24Å; E499-S503 WeakPolarHBondContact O-CB 3.47Å; E499-S503 PolarHBondContact O-N 2.8Å
500S52.3Low48.4Very low81 Ų81109.1 Ų109.157%0.56661%0.608SS**Hα-helixtrans-59.5-32178.8-174.30000113.6A496 C498A496-S500 VanDerWaalsContact O-CB 3.28Å; A496-S500 WeakPolarHBondContact O-CB 3.37Å; A496-S500 PolarHBondContact O-N 3.03Å; C498-S500 VanDerWaalsContact C-N 3.35Å; C498-S500 PolarHBondContact O-N 3.27Å
501V49.3Very low48Very low94 Ų94113.4 Ų113.457%0.5763%0.628SS**Hα-helixtrans-92.2-17.8-176.41750000112.6V497 C498 E499V497-V501 VanDerWaalsContact O-CG2 3.32Å; V497-V501 WeakPolarHBondContact O-CG2 3.44Å; C498-V501 PolarHBondContact O-N 3.34Å; E499-V501 PolarHBondContact O-N 3.15Å
502F46.3Very low47.4Very low131 Ų131113.1 Ų113.158%0.57564%0.639SS**Hα-helixtrans-97.3-35175.7-82.3-93.3000113.2C498 E499 E504 M505 E506C498-F502 WeakPolarHBondContact O-CD2 3.17Å; C498-F502 PolarHBondContact O-N 3.48Å; C498-F502 VanDerWaalsContact O-N 3.15Å; E499-F502 PolarHBondContact O-N 2.82Å; F502-E504 PolarHBondContact O-N 2.9Å; F502-M505 PolarHBondContact O-N 2.62Å; F502-E506 PolarHBondContact O-N 3.48Å
503S44.6Very low46.6Very low73 Ų73119.7 Ų119.751%0.5166%0.664SS.*Hα-helixtrans-65.3-35.2-179.6-1720000113.2E499 M505 E506 S507E499-S503 VanDerWaalsContact O-CB 3.24Å; E499-S503 WeakPolarHBondContact O-CB 3.47Å; E499-S503 PolarHBondContact O-N 2.8Å; S503-M505 VanDerWaalsContact C-N 3.25Å; S503-M505 PolarHBondContact O-N 3.22Å; S503-E506 PolarHBondContact O-N 2.72Å; S503-S507 PolarHBondContact O-N 2.96Å; S503-S507 PolarHBondContact O-OG 2.66Å
504E45.9Very low45.8Very low166 Ų166120.1 Ų120.178%0.77667%0.671SS**Hα-helixtrans-66.2-25.5176.5-166.9173.8-165.600112.8F502F502-E504 PolarHBondContact O-N 2.9Å
505M48.6Very low45Very low157 Ų157122.5 Ų122.577%0.77368%0.684SS**Hα-helixtrans-85.6-27.9178.9-170.668.763.400113.1F502 S503F502-M505 PolarHBondContact O-N 2.62Å; S503-M505 VanDerWaalsContact C-N 3.25Å; S503-M505 PolarHBondContact O-N 3.22Å
506E42Very low44.3Very low156 Ų156121.4 Ų121.473%0.72969%0.689SS**Hα-helixtrans-92.6-14.1-174.4-154.8157.5-139.100113.1F502 S503 Q508F502-E506 PolarHBondContact O-N 3.48Å; S503-E506 PolarHBondContact O-N 2.72Å; E506-Q508 VanDerWaalsContact C-N 3.27Å; E506-Q508 PolarHBondContact O-N 3.02Å
507S45.3Very low43.7Very low85 Ų85127.4 Ų127.459%0.59471%0.71SS**THydrogen-bonded Turntrans-75.7-1.3-177.6-61.90000115.6S503S503-S507 PolarHBondContact O-N 2.96Å; S503-S507 PolarHBondContact O-OG 2.66Å
508Q44.8Very low43Very low193 Ų193128.2 Ų128.290%0.90272%0.717SS**THydrogen-bonded Turntrans-121.331.7-178.4-151.8175.513.300113.7E506E506-Q508 VanDerWaalsContact C-N 3.27Å; E506-Q508 PolarHBondContact O-N 3.02Å
509A39.9Very low42.3Very low81 Ų81128.7 Ų128.767%0.66973%0.733SS**SBendtrans-132.418.2-179.600000114.8
510V41.7Very low41.5Very low125 Ų125127.9 Ų127.976%0.75874%0.743SS**SBendtrans-120.730.8-167.6-64.70000115.5
511D43.3Very low40.4Very low165 Ų165132.7 Ų132.788%0.88275%0.753SS**SBendtrans-148.660171.9-158.212.5000113.1
512A37.4Very low39.6Very low92 Ų92138.1 Ų138.176%0.7676%0.764SS**SBendtrans-156.113-178.800000116
513L37.8Very low39Very low178 Ų178139.6 Ų139.693%0.93277%0.774SS**  trans-135.882-174.7-72.2177.1000112.8
514D31.3Very low38.6Very low147 Ų147147 Ų14779%0.78679%0.791SS**  trans-129.7161.2158.1-168.618.8000110.1
515L37.1Very low38Very low148 Ų148144.1 Ų144.178%0.77579%0.789SS**SBendtrans76.9149.8179.5-50.9-175.3000116.3
516P40.9Very low37.6Very low116 Ų116144.8 Ų144.875%0.75379%0.79SS**  trans-110.9155.2-136.339.3-34.9000116.6
517M38.2Very low37.9Very low178 Ų178142.1 Ų142.188%0.87779%0.789SS**PPolyproline II helixtrans-96120.8175-80.1-67.6-62.800113.4
518P38.3Very low37.6Very low113 Ų113147.9 Ų147.973%0.73480%0.799SS**PPolyproline II helixtrans-75.9130.4162.4-12.929.7000111.1
519G33.8Very low37.3Very low77 Ų77145.2 Ų145.279%0.79480%0.796SS**PPolyproline II helixtrans-95136.9-179.700000114
520C33.4Very low37.7Very low130 Ų130153.4 Ų153.488%0.87881%0.809SS**  trans-124.5149.6179.2-71.30000113.2
521F28.8Very low37.9Very low181 Ų181151.4 Ų151.479%0.79481%0.805SS**  trans-95.9134.3-172.7-99.3-128.2000114
522R33Very low37.9Very low208 Ų208151.8 Ų151.879%0.78581%0.806SS**  trans59178.3149.7-52.7-176.3176-159.90.2115.1
523M32.2Very low37.9Very low162 Ų162156.1 Ų156.180%0.79881%0.81SS**  cis-147.1-1730.3-152.1147.96000111.5
524R36.4Very low38Very low229 Ų229157.3 Ų157.386%0.86481%0.808SS**  trans-70.4141.3177.3-77.2-179.7157109.9-5.3113.6
525S34.9Very low38.1Very low105 Ų105153.7 Ų153.773%0.73481%0.805SS**  trans48.2127141.566.10000121.3
526H38.8Very low37.8Very low172 Ų172152.8 Ų152.880%0.79681%0.81SS**  -157.8173.8100.5-149.149000111.8
527S48.7Very low37.4Very low100 Ų100152.6 Ų152.670%0.69981%0.811SS**  trans-12963.4-165.657.90000113.5
528Y38.3Very low36.9Very low206 Ų206151 Ų15181%0.80880%0.802SS**  trans-149.529.5-175-138.2-93.7000116.2
529V40Very low36.6Very low137 Ų137152.9 Ų152.983%0.8380%0.801SS**  trans-131.351-175.3-159.80000112.6
530R46.6Very low36.6Very low253 Ų253157.2 Ų157.296%0.95580%0.8SS**SBendtrans-144.541.1164.2-78.1-151.2-62.1-102.42.4112.5
531A46.4Very low36.6Very low82 Ų82158.8 Ų158.868%0.67880%0.795SS**SBendtrans-135.9151.6156.600000106.1
532I42.6Very low36.6Very low174 Ų174159 Ų15989%0.89280%0.798SS**SBendtrans68.368.7-166.7-41168.6000112.3
533E39.4Very low36.4Very low182 Ų182152.8 Ų152.885%0.8580%0.799SS**  trans-153.1135.8143.6-127.3173.4-12900110.3
534K39.2Very low36.2Very low204 Ų204151.6 Ų151.689%0.88780%0.8SS**  trans55.8105.6177.5-56.6-161.4177.1-168.80118
535G33.9Very low35.7Very low71 Ų71147 Ų14773%0.73280%0.798SS**  trans-119.4172.514600000110.6
536C29.2Very low35.4Very low129 Ų129146 Ų14687%0.87280%0.795SS**  trans79.9148.3168-580000119.6
537S32.7Very low34.8Very low112 Ų112144.7 Ų144.778%0.78379%0.793SS**  trans66.3145.5169.3560000120
538Q28.5Very low33.8Very low144 Ų144150 Ų15067%0.67380%0.798SS**  cis-176.1137.7-21.6175.8168.7-27.700108.9
539E31.9Very low33.2Very low152 Ų152147.5 Ų147.571%0.7179%0.794SS**  trans48.2177.5159.289.2-147.6155.900119.2
540E34.3Very low32.7Very low168 Ų168151.5 Ų151.579%0.78579%0.794SS**  cis-146.4-177.7-49.2-115.3178.5155.300108.9
541E33.3Very low31.9Very low163 Ų163142.1 Ų142.176%0.76278%0.776SS**  trans58.1127.5162.2-88.9176.295.400123.3
542E29.2Very low31Very low186 Ų186141.7 Ų141.787%0.86977%0.765SS**  trans35.1149.4131.5-58-168.7-174.200124.1
543G27.6Very low30.3Very low77 Ų77138.4 Ų138.479%0.79475%0.749SS**  trans162.787.7170.400000115
544V28.1Very low29.9Very low138 Ų138133.3 Ų133.384%0.83673%0.733SS**  trans-85.5161.5-178.2-163.80000111.6
545V26.6Very low29.8Very low133 Ų133129 Ų12981%0.80673%0.726SS**  trans100137.8155.5-173.70000119.2
546A27.3Very low29.7Very low82 Ų82131.6 Ų131.668%0.67873%0.73SS**  trans76.9104.4153.400000123.3
547L26Very low29.8Very low145 Ų145137 Ų13776%0.75973%0.732SS**  51.3109.3101.7-172.578000119.3
548R29.1Very low29.6Very low213 Ų213138.4 Ų138.480%0.80474%0.737SS**  -163.3154108-112.8-170.2178.2-129.6-5.4115.5
549E26.1Very low29.6Very low153 Ų153135.9 Ų135.972%0.71574%0.74SS**  trans-90.3162.2176.8-42.9149.2120.800111.9
550R28.6Very low29.6Very low221 Ų221134.9 Ų134.983%0.83475%0.745SS**  trans145.8146.1136.3-173173.9-57.2-112.8-11112.9
551G29.3Very low29.5Very low55 Ų55133.1 Ų133.157%0.56775%0.745SS**  trans87.597.9175.800000113.8
552T28.6Very low29.3Very low73 Ų73130.8 Ų130.845%0.44874%0.742SS.*  cis85.773.210.1132.50000115.1T66 S67 C68T66-T552 HydrophobicContact CG2-CG2 4.16Å; T66-T552 WeakPolarHBondContact CG2-O 3.32Å; T66-T552 WeakPolarHBondContact CG2-OG1 3.26Å; T66-T552 VanDerWaalsContact OG1-CB 3.27Å; T66-T552 WeakPolarHBondContact OG1-CB 3.38Å; T66-T552 WeakPolarHBondContact OG1-CG2 3.49Å; T66-T552 PolarHBondContact OG1-OG1 2.86Å; S67-T552 WeakPolarHBondContact O-CA 3.47Å; S67-T552 PolarHBondContact O-N 3.4Å; C68-T552 PolarHBondContact SG-N 3.05Å; C68-T552 VanDerWaalsContact SG-N 3.4Å
553D27.7Very low29.4Very low105 Ų105132 Ų13256%0.56174%0.739SS**  -173.2165.3126.7-139.4-23.6000116.2T66 S67 C68T66-D553 HydrophobicContact CG2-CB 3.54Å; T66-D553 WeakPolarHBondContact CG2-OD1 3.47Å; S67-D553 WeakPolarHBondContact CB-O 3.47Å; C68-D553 PolarHBondContact SG-N 2.75Å; C68-D553 PolarHBondContact SG-O 3.07Å
554S31.3Very low29.6Very low75 Ų75134 Ų13452%0.52474%0.736SS.*PPolyproline II helixtrans-99.3163.9-165-105.60000115.3S67S67-S554 VanDerWaalsContact CB-OG 3.25Å; S67-S554 WeakPolarHBondContact CB-OG 3.38Å; S67-S554 PolarHBondContact OG-OG 3.39Å
555P36.8Very low29.6Very low113 Ų113135.3 Ų135.373%0.73474%0.736SS**PPolyproline II helixtrans-94.4144-158.335.1-36000116.3
556P31.5Very low29.9Very low127 Ų127137.2 Ų137.283%0.82574%0.736SS**PPolyproline II helixtrans-78.7156.7164.733.5-34.2000112.3
557R31Very low29.8Very low241 Ų241138.7 Ų138.791%0.90974%0.742SS**PPolyproline II helixtrans-99.3146.4174.6-65.4171.9171.3171.9-4.2111.1
558T29.3Very low30.1Very low143 Ų143136.3 Ų136.388%0.87774%0.737SS**  trans-128.7113.8152.343.30000107.8
559A28.2Very low30.1Very low90 Ų90132 Ų13274%0.74474%0.735SS**  95.981.151.500000111.4
560T32.2Very low30.3Very low132 Ų132131.5 Ų131.581%0.8174%0.742SS**  trans-76.1146.4168.6-39.10000110.3V562T560-V562 HydrophobicContact CG2-CG2 4.25Å
561T30.7Very low30.2Very low130 Ų130125.9 Ų125.980%0.79874%0.736SS**  trans-123.1136.1166.153.90000111.4
562V29.9Very low30.1Very low115 Ų115128.5 Ų128.570%0.69775%0.746SS**  trans-131.1141.2-173.7175.40000110.1T560T560-V562 HydrophobicContact CG2-CG2 4.25Å
563R32.2Very low30.1Very low211 Ų211130.6 Ų130.680%0.79676%0.762SS**  trans-142.4120.8160.3-62.4-178.4172.3102.2-6.1105.6
564T30.8Very low30.3Very low119 Ų119133.8 Ų133.873%0.7378%0.778SS**  cis78.1102.938-51.20000113.7
565I29Very low30.3Very low165 Ų165135.1 Ų135.185%0.84678%0.783SS**  trans-154.2151.8135.4-59.3-164.3000107.6
566Q31.5Very low30Very low173 Ų173136.6 Ų136.681%0.80879%0.79SS**  trans-120.3156.6168.1-69.8-175.4-2.300111.5
567S26.9Very low29.9Very low113 Ų113140.5 Ų140.579%0.7979%0.79SS**  trans69150.2154.9-67.50000117.7
568S31.4Very low30.2Very low95 Ų95139.4 Ų139.466%0.66479%0.791SS**  cis-159-179-1.753.30000112.7
569T28.5Very low30.3Very low122 Ų122142 Ų14275%0.74879%0.79SS**  trans79.7127.7143.334.50000123.4
570V30Very low31Very low143 Ų143143.4 Ų143.487%0.86779%0.79SS**  trans86.3147.8146.21750000119.2
571S27.1Very low31.8Very low103 Ų103142.6 Ų142.672%0.7279%0.787SS**  trans-108.8177-160.8-420000114.5
572S27.3Very low32.5Very low110 Ų110141.8 Ų141.877%0.76978%0.784SS**  trans91.8118.8150.2-56.60000119.6
573C29.8Very low33.2Very low117 Ų117142.3 Ų142.379%0.79179%0.79SS**  trans26.5126.6151.360.40000121.8
574I31.5Very low33.6Very low173 Ų173138.7 Ų138.789%0.88779%0.791SS**  trans-157155.7133.5-113160.3000113.2
575T30.2Very low34.3Very low103 Ų103138 Ų13863%0.63279%0.788SS**  trans-47.2143.3-174.1-52.50000117.6Y577T575-Y577 HydrophobicContact CG2-CD2 4.22Å; T575-Y577 HydrophobicContact CG2-CE2 4.44Å; T575-Y577 PolarHBondContact O-N 2.86Å
576T31.5Very low35Very low143 Ų143136 Ų13688%0.87779%0.786SS**  trans-67.181.6169.739.50000114
577Y29.6Very low35.2Very low209 Ų209139.4 Ų139.482%0.8279%0.792SS**  trans-83.4114166.3-101.7-87000112T575 K579T575-Y577 HydrophobicContact CG2-CD2 4.22Å; T575-Y577 HydrophobicContact CG2-CE2 4.44Å; T575-Y577 PolarHBondContact O-N 2.86Å; Y577-K579 PolarHBondContact O-N 3.22Å
578K35.8Very low35.7Very low218 Ų218140.4 Ų140.495%0.94879%0.793SS**  trans-68.591.9169.5-113.8-172.1178.4-179.60110.1
579K33Very low35.8Very low197 Ų197142.2 Ų142.286%0.85780%0.8SS**PPolyproline II helixtrans-91.2121.6172.6-164.7171.5-176.81780109.8Y577Y577-K579 PolarHBondContact O-N 3.22Å
580T41.5Very low36.2Very low121 Ų121142.6 Ų142.674%0.74281%0.805SS**PPolyproline II helixtrans-65.3148.1170.531.70000110.8
581P48.7Very low36.2Very low114 Ų114141.2 Ų141.274%0.7480%0.802SS**PPolyproline II helixtrans-64.1145.2173.828.1-34.5000110.5
582P47.3Very low36.6Very low114 Ų114145.3 Ų145.374%0.7481%0.806SS**PPolyproline II helixtrans-66.4147.9176.228.8-34.5000111.1
583P44Very low37.2Very low125 Ų125146.2 Ų146.281%0.81281%0.81SS**PPolyproline II helixtrans-69.3132.8178.228.8-34.1000111.2
584V40.2Very low37.2Very low135 Ų135150.2 Ų150.282%0.81881%0.814SS**PPolyproline II helixtrans-69.8130.9174.3-178.60000109.4
585P46.1Very low37.2Very low104 Ų104149.3 Ų149.368%0.67581%0.809SS**PPolyproline II helixtrans-68.2149.3-179.927.3-34.7000112.4R587P585-R587 PolarHBondContact O-N 3.49Å
586P43.5Very low37.4Very low123 Ų123149.6 Ų149.680%0.79982%0.816SS**PPolyproline II helixtrans-69.5129.2-178.828.3-34.4000111.8T588P586-T588 PolarHBondContact O-N 3.31Å
587R35.5Very low37.3Very low246 Ų246150.2 Ų150.293%0.92881%0.812SS**  trans-80.2102.2-176.7-170.1177.4-170.1160.52.8111.1P585P585-R587 PolarHBondContact O-N 3.49Å
588T36.3Very low37.6Very low134 Ų134146.9 Ų146.982%0.82281%0.813SS**PPolyproline II helixtrans-73.9143.717146.40000111.3P586P586-T588 PolarHBondContact O-N 3.31Å
589T34.4Very low37.5Very low133 Ų133141.4 Ų141.482%0.81681%0.809SS**PPolyproline II helixtrans-90.7149.6178.940.30000111.9
590P37.4Very low37.5Very low129 Ų129141.1 Ų141.184%0.83881%0.811SS**PPolyproline II helixtrans-82.3143.3-172.132.4-35.8000113.3
591S30.5Very low36.9Very low115 Ų115141 Ų14180%0.80482%0.815SS**  trans-114.4106.2172.758.10000111.6
592K34.1Very low36.4Very low188 Ų188140.5 Ų140.582%0.81781%0.814SS**  trans16.1116.9157.9-58.4179.6-179.1-177.80117.8
593P39.8Very low36.1Very low129 Ų129141.5 Ų141.584%0.83882%0.819SS**PPolyproline II helixtrans-68.3146.116431.4-33.9000110.7
594F30.9Very low35.7Very low201 Ų201144 Ų14488%0.88282%0.819SS**PPolyproline II helixtrans-91.6139.8165.6-98.8-92.9000110.1
595I31.7Very low35.3Very low154 Ų154142.9 Ų142.979%0.7982%0.818SS**PPolyproline II helixtrans-74.9135.6174.3-61.2164000108.8I597I595-I597 HydrophobicContact CG2-CG1 3.94Å
596S32.7Very low34.7Very low110 Ų110141.9 Ų141.977%0.76982%0.818SS**  trans-123.3129.2163.255.80000108.7
597I30.8Very low34.1Very low156 Ų156145 Ų14580%0.882%0.822SS**  trans-104.8126.6-177.6-58.5173.7000108.7I595I595-I597 HydrophobicContact CG2-CG1 3.94Å
598T35.4Very low33.9Very low138 Ų138140.7 Ų140.785%0.84782%0.817SS**  trans-134147.2163.3270000109
599A33.8Very low33.7Very low104 Ų104139 Ų13986%0.8682%0.816SS**  trans-85.6169.3-157.600000115.2
600Q33.6Very low33.3Very low190 Ų190142.7 Ų142.789%0.88882%0.817SS**  trans-81.7145.9-176.7-55.6164.9-8800113.1
601S27.5Very low33Very low120 Ų120143.8 Ų143.884%0.83981%0.813SS**  trans-157.7142144.557.10000110.1
602S39.4Very low33Very low103 Ų103146.1 Ų146.172%0.7282%0.816SS**  trans-97.6-165.8-170.4-46.80000113.3
603T39.5Very low32.8Very low135 Ų135140.7 Ų140.783%0.82881%0.813SS**  trans76.3165.8169.373.30000115.8
604E36.5Very low32.4Very low177 Ų177137.5 Ų137.583%0.82780%0.804SS**  cis177.7145.1-33.1-172.6152.9124.700106.6
605S31.1Very low32.6Very low112 Ų112133.4 Ų133.478%0.78380%0.801SS**  cis-143-163.44.2-1540000111.2
606A35.1Very low32.5Very low83 Ų83130.1 Ų130.169%0.68679%0.791SS**  trans-83.9156.3170.500000113.8
607Q29.8Very low32.5Very low189 Ų189132.9 Ų132.988%0.88379%0.792SS**  trans-178.7163.5133.6-102.9169.315.600113.8
608D31.2Very low32.6Very low155 Ų155135.7 Ų135.783%0.82979%0.792SS**  trans-71.4161.6179.1-47.3-99.2000114.5
609A31.9Very low32.4Very low97 Ų97134.1 Ų134.180%0.80279%0.793SS**  178.6122.9128.900000115.7
610Y25.5Very low32Very low212 Ų212132.5 Ų132.583%0.83179%0.787SS**  trans47.3111.4131.8-110.4-118.6000124.1
611M32Very low32.1Very low152 Ų152131.6 Ų131.675%0.74979%0.786SS**  58133116.5-65.6-63.9-169.100124.8
612D31.6Very low32.2Very low164 Ų164130.3 Ų130.388%0.87778%0.777SS**  trans70.3158.2137.3-160.526.4000120.6
613G29.7Very low31.8Very low73 Ų73131.5 Ų131.575%0.75379%0.785SS**  trans143.245177.100000116.3
614G31.3Very low31.4Very low62 Ų62133.3 Ų133.364%0.63979%0.785SS**  trans-85.2-176.9-167.700000119.3
615S33.7Very low31.2Very low116 Ų116133.7 Ų133.781%0.81179%0.786SS**  trans104158.3149.986.90000121.6
616S29.8Very low31.1Very low85 Ų85131.5 Ų131.559%0.59478%0.781SS**  trans80.8111.4161.8-65.50000118.9
617Q33Very low31Very low167 Ų167135.8 Ų135.878%0.7879%0.792SS**  95.2155.480.3-81.6-17886.700112.9
618R33.6Very low30.9Very low216 Ų216131.8 Ų131.882%0.81579%0.785SS**  cis-177.2127.9-25.8-175.5-173.4-146.6-172.78109.3
619A30Very low30.8Very low105 Ų105132.4 Ų132.487%0.86879%0.788SS**  trans59.5168.7-176.500000114
620G27Very low30.9Very low70 Ų70132.5 Ų132.572%0.72278%0.783SS**  cis177179.6-2.400000108.7
621I35.1Very low31.2Very low170 Ų170129.4 Ų129.487%0.87279%0.786SS**  cis-142.8-109.32.349.2163.8000112.5
622S30.1Very low31.5Very low93 Ų93129.9 Ų129.965%0.6579%0.787SS**  trans-121.4149.3-16654.90000116
623S29.5Very low31.7Very low128 Ų128127.7 Ų127.790%0.89578%0.784SS**  trans-168.6163.5132.8-840000112.2
624Q31.9Very low32.3Very low174 Ų174130.2 Ų130.281%0.81378%0.779SS**  trans-96.4159.5-173.5-63.6-172.9-21.700113.7
625Q32.3Very low33.1Very low184 Ų184131 Ų13186%0.8677%0.769SS**  144.3130.5102.1-161.3164.129.600113.8
626G29.1Very low33.5Very low66 Ų66129.9 Ų129.968%0.6876%0.761SS**  trans124.5107.8154.100000119.7
627L32.3Very low34.7Very low174 Ų174132.8 Ų132.891%0.91177%0.767SS**  trans64.699.7142.2-51.6-179.6000121.3
628S28.6Very low35.7Very low105 Ų105131.8 Ų131.873%0.73476%0.76SS**  trans27127137-49.30000122.2
629N29.9Very low37.1Very low168 Ų168124 Ų12490%0.89874%0.742SS**  -167.2157.3102.4-88.5-33.3000112
630S32.2Very low38.5Very low99 Ų99124.2 Ų124.269%0.69273%0.728SS**  trans-89.8143.6-162.5-44.50000116
631T33.3Very low40.5Very low146 Ų146124.9 Ų124.990%0.89672%0.718SS**  trans-138.681.3146.854.10000109.6
632E37.3Very low42Very low162 Ų162119.4 Ų119.476%0.75770%0.698SS**  trans-78131.4170.365.5-162105.500110.3
633S35.8Very low43.8Very low118 Ų118117.7 Ų117.783%0.82569%0.69SS**  trans-109.2124.6168.6-170.20000107.8D635S633-D635 PolarHBondContact O-N 2.88Å
634I43.2Very low45.8Very low127 Ų127116 Ų11665%0.65167%0.67SS**  trans-82.9104.9-165.6-58.4175.3000109.8S636I634-S636 PolarHBondContact O-N 3.3Å
635D48.6Very low47.4Very low79 Ų79114.2 Ų114.242%0.42266%0.661SS.*  trans-76.586.6175.9-168.9-10.9000110.2S633 M637 K638 A639S633-D635 PolarHBondContact O-N 2.88Å; D635-M637 PolarHBondContact O-N 2.96Å; D635-K638 HydrophobicContact CB-CD 4.26Å; D635-K638 PolarHBondContact O-N 2.73Å; D635-K638 VanDerWaalsContact OD2-CD 3.3Å; D635-K638 WeakPolarHBondContact OD2-CD 3.46Å; D635-K638 WeakPolarHBondContact OD2-CE 3.47Å; D635-K638 IonicContact OD2-NZ 3.81Å; D635-K638 PolarHBondContact OD2-NZ 2.83Å; D635-A639 PolarHBondContact O-N 2.81Å
636S41.3Very low48.9Very low92 Ų92108 Ų10864%0.64364%0.641SS**Hα-helixtrans-49.6-31.2-169.1-56.40000114.8I634 L640I634-S636 PolarHBondContact O-N 3.3Å; S636-L640 PolarHBondContact O-N 3.11Å; S636-L640 VanDerWaalsContact O-N 3.16Å
637M54Low50.2Low146 Ų146107.4 Ų107.472%0.71963%0.63SS**Hα-helixtrans-72.5-40.1-178-150.2173.1-62.800111.5D635 L640 T641D635-M637 PolarHBondContact O-N 2.96Å; M637-L640 PolarHBondContact O-N 2.76Å; M637-T641 PolarHBondContact O-N 3.47Å; M637-T641 PolarHBondContact O-OG1 3.24Å; M637-T641 VanDerWaalsContact O-OG1 3.11Å
638K54.3Low50.8Low145 Ų145104.4 Ų104.463%0.6362%0.615SS**Hα-helixtrans-68.8-37.5176.4-68175-176.8141.30111.9D635 L640 T641 A642D635-K638 HydrophobicContact CB-CD 4.26Å; D635-K638 PolarHBondContact O-N 2.73Å; D635-K638 VanDerWaalsContact OD2-CD 3.3Å; D635-K638 WeakPolarHBondContact OD2-CD 3.46Å; D635-K638 WeakPolarHBondContact OD2-CE 3.47Å; D635-K638 IonicContact OD2-NZ 3.81Å; D635-K638 PolarHBondContact OD2-NZ 2.83Å; K638-L640 VanDerWaalsContact C-N 3.34Å; K638-T641 PolarHBondContact O-N 2.81Å; K638-A642 VanDerWaalsContact O-CB 3.31Å; K638-A642 WeakPolarHBondContact O-CB 3.39Å; K638-A642 PolarHBondContact O-N 3.43Å
639A63.4Low51.7Low54 Ų54102.7 Ų102.745%0.44661%0.607SS.*Hα-helixtrans-62.2-41.5174.200000111.9D635 A643D635-A639 PolarHBondContact O-N 2.81Å; A639-A643 WeakPolarHBondContact O-CB 3.4Å; A639-A643 PolarHBondContact O-N 3.29Å
640L60.3Low52.7Low109 Ų109102.9 Ų102.957%0.57160%0.603SS**Hα-helixtrans-67-45175.9-178.260000112.2S636 M637 K638 A643 I644S636-L640 PolarHBondContact O-N 3.11Å; S636-L640 VanDerWaalsContact O-N 3.16Å; M637-L640 PolarHBondContact O-N 2.76Å; K638-L640 VanDerWaalsContact C-N 3.34Å; L640-A643 PolarHBondContact O-N 3.16Å; L640-I644 HydrophobicContact CD1-CD1 4Å; L640-I644 HydrophobicContact CD1-CG1 4.42Å; L640-I644 HydrophobicContact CG-CD1 4.01Å; L640-I644 WeakPolarHBondContact O-CG1 3.5Å; L640-I644 PolarHBondContact O-N 3.24Å
641T68Low53.5Low84 Ų84103.2 Ų103.252%0.51560%0.601SS.*Hα-helixtrans-59.9-48.6175.6-57.40000111.5M637 K638 A643 I644 E645M637-T641 PolarHBondContact O-N 3.47Å; M637-T641 PolarHBondContact O-OG1 3.24Å; M637-T641 VanDerWaalsContact O-OG1 3.11Å; K638-T641 PolarHBondContact O-N 2.81Å; T641-A643 VanDerWaalsContact C-N 3.31Å; T641-A643 PolarHBondContact O-N 2.9Å; T641-I644 PolarHBondContact O-N 3.17Å; T641-E645 WeakPolarHBondContact O-CB 3.39Å; T641-E645 PolarHBondContact O-N 3.27Å
642A66Low54.3Low55 Ų55104.7 Ų104.746%0.45560%0.597SS.*Hα-helixtrans-63.7-33.9178.900000112.8K638 A646K638-A642 VanDerWaalsContact O-CB 3.31Å; K638-A642 WeakPolarHBondContact O-CB 3.39Å; K638-A642 PolarHBondContact O-N 3.43Å; A642-A646 WeakPolarHBondContact O-CB 3.49Å; A642-A646 PolarHBondContact O-N 3.02Å
643A68.8Low54.1Low57 Ų5799.8 Ų99.847%0.47159%0.59SS.*Hα-helixtrans-68.1-40174.400000112.6A639 L640 T641 A647A639-A643 WeakPolarHBondContact O-CB 3.4Å; A639-A643 PolarHBondContact O-N 3.29Å; L640-A643 PolarHBondContact O-N 3.16Å; T641-A643 VanDerWaalsContact C-N 3.31Å; T641-A643 PolarHBondContact O-N 2.9Å; A643-A647 WeakPolarHBondContact O-CB 3.38Å; A643-A647 PolarHBondContact O-N 2.95Å
644I70.7Confident54Low92 Ų92100.3 Ų100.347%0.47259%0.591SS.*Hα-helixtrans-69.4-40.8176-67.1166.1000110.8L640 T641 A647 N648L640-I644 HydrophobicContact CD1-CD1 4Å; L640-I644 HydrophobicContact CD1-CG1 4.42Å; L640-I644 HydrophobicContact CG-CD1 4.01Å; L640-I644 WeakPolarHBondContact O-CG1 3.5Å; L640-I644 PolarHBondContact O-N 3.24Å; T641-I644 PolarHBondContact O-N 3.17Å; I644-A647 PolarHBondContact O-N 2.78Å; I644-N648 PolarHBondContact O-N 3.13Å; I644-N648 PolarHBondContact O-ND2 3.49Å
645E66.6Low53.9Low136 Ų13699.2 Ų99.264%0.63660%0.6SS**Hα-helixtrans-65.5-43.3176.6-169.8168.5-161.700111.6T641 A647 N648 A649T641-E645 WeakPolarHBondContact O-CB 3.39Å; T641-E645 PolarHBondContact O-N 3.27Å; E645-A647 PolarHBondContact O-N 2.74Å; E645-N648 PolarHBondContact O-N 3.49Å; E645-A649 WeakPolarHBondContact O-CB 3.48Å; E645-A649 PolarHBondContact O-N 2.91Å
646A63.4Low53.2Low53 Ų53100.8 Ų100.844%0.43862%0.617SS.*Hα-helixtrans-65.4-35.1173.800000113.2A642 Q650A642-A646 WeakPolarHBondContact O-CB 3.49Å; A642-A646 PolarHBondContact O-N 3.02Å; A646-Q650 PolarHBondContact O-N 3.41Å
647A55.7Low52.9Low55 Ų55105 Ų10546%0.45563%0.627SS.*Hα-helixtrans-67-44.5173.900000111.7A643 I644 E645 A649 Q650A643-A647 WeakPolarHBondContact O-CB 3.38Å; A643-A647 PolarHBondContact O-N 2.95Å; I644-A647 PolarHBondContact O-N 2.78Å; E645-A647 PolarHBondContact O-N 2.74Å; A647-A649 VanDerWaalsContact C-N 3.33Å; A647-A649 PolarHBondContact O-N 3.03Å; A647-Q650 PolarHBondContact O-N 3.46Å
648N44.5Very low51.7Low110 Ų110106.2 Ų106.259%0.58863%0.631SS**Hα-helixtrans-64.4-37175.4-74-23.2000112.1I644 E645 Q650 V651I644-N648 PolarHBondContact O-N 3.13Å; I644-N648 PolarHBondContact O-ND2 3.49Å; E645-N648 PolarHBondContact O-N 3.49Å; N648-Q650 PolarHBondContact O-N 2.93Å; N648-V651 PolarHBondContact O-N 3.37Å
649A47.9Very low50.5Low69 Ų69104.7 Ų104.757%0.5763%0.633SS**Hα-helixtrans-62.4-21.5175.700000113.8E645 A647E645-A649 WeakPolarHBondContact O-CB 3.48Å; E645-A649 PolarHBondContact O-N 2.91Å; A647-A649 VanDerWaalsContact C-N 3.33Å; A647-A649 PolarHBondContact O-N 3.03Å
650Q51.9Low49Very low173 Ų173107.6 Ų107.681%0.80865%0.645SS**THydrogen-bonded Turntrans-83.1-12174.4-69.4-174.610.200114A646 A647 N648A646-Q650 PolarHBondContact O-N 3.41Å; A647-Q650 PolarHBondContact O-N 3.46Å; N648-Q650 PolarHBondContact O-N 2.93Å
651V49.2Very low47.4Very low106 Ų106108.9 Ų108.964%0.64265%0.653SS**THydrogen-bonded Turntrans-87.6-28.3179.8-177.90000112.2N648N648-V651 PolarHBondContact O-N 3.37Å
652H49.1Very low45.6Very low176 Ų176110 Ų11082%0.81566%0.664SS**SBendtrans-133.961.7177.8-78.9-59.3000113.8
653G33.6Very low43.8Very low59 Ų59113.1 Ų113.161%0.60868%0.678SS**  trans-76.7139.216000000111.6
654P34.7Very low41.9Very low130 Ų130117.3 Ų117.384%0.84469%0.691SS**  trans-75.7136.4-176.830-34.9000112.7S656P654-S656 PolarHBondContact O-N 3.22Å
655A39.4Very low39.8Very low104 Ų104118.5 Ų118.586%0.8670%0.702SS**  trans-80.4111.7175.200000111.9
656S33.8Very low38.1Very low111 Ų111119.1 Ų119.178%0.77671%0.708SS**  trans-136.895.1165.3-170.80000107.9P654P654-S656 PolarHBondContact O-N 3.22Å
657Q36Very low36.5Very low181 Ų181122.8 Ų122.885%0.84673%0.726SS**  53.8102.988-65.7-161.810.200113.8
658H29.1Very low35.3Very low172 Ų172124.3 Ų124.380%0.79674%0.738SS**  trans-148.395.3151.2-170.5-89.7000112.9
659V29.5Very low34.7Very low113 Ų113126 Ų12669%0.68575%0.753SS**  trans68.7147.1145.2-177.90000119.4
660T31Very low33.8Very low114 Ų114127.2 Ų127.270%0.69976%0.763SS**  trans-90-170.5-176.554.10000113.3
661N27.2Very low32.8Very low137 Ų137124.8 Ų124.873%0.73376%0.76SS**  trans107.2107.3164.1-50.3-17.2000111.8
662S29.9Very low31.9Very low108 Ų108125.8 Ų125.876%0.75577%0.766SS**  89132.952.1-66.60000113.5
663T26.8Very low30.9Very low120 Ų120122 Ų12274%0.73676%0.76SS**  trans86.4102.6155.9-510000119.8
664I30.4Very low31Very low145 Ų145125.5 Ų125.574%0.74477%0.769SS**  trans29.9126.4131.8-30.8170.5000119
665T26.9Very low31.1Very low116 Ų116125.7 Ų125.771%0.71277%0.768SS**  159.5120.5111.9-57.10000114.7
666I30.4Very low30.9Very low149 Ų149125.4 Ų125.476%0.76477%0.766SS**  trans7.8134.2135.4-39.5171.6000115.8
667T29.9Very low31.1Very low131 Ų131127.5 Ų127.580%0.80477%0.768SS**  -172.6157.985.9-55.60000112.1
668A30.5Very low31.2Very low87 Ų87123.8 Ų123.872%0.71976%0.762SS**  trans-83.1176.9-176.900000114.7
669T30.6Very low31.5Very low145 Ų145125.9 Ų125.989%0.8977%0.769SS**  trans-135.2139.7160.8-40.90000108.4
670A30.8Very low31.7Very low94 Ų94125.7 Ų125.778%0.77778%0.779SS**  trans-149.7140-176.900000111.6
671T30.8Very low31.7Very low122 Ų122128.3 Ų128.375%0.74878%0.783SS**  trans-146.4113.2176.346.70000111.1
672T28.9Very low32.2Very low128 Ų128133.2 Ų133.279%0.78579%0.792SS**  trans46.1138.6133.2580000121.4
673S29.5Very low32.2Very low97 Ų97136.4 Ų136.468%0.67880%0.795SS**  cis-177.3142.3-5.945.30000111.8
674V34.4Very low32.4Very low132 Ų132134.6 Ų134.680%0.879%0.792SS**  trans56.4113.1143.8177.20000116.1
675T36.7Very low32.8Very low134 Ų134134.3 Ų134.382%0.82279%0.791SS**  cis-150.6-172.631.4-2.80000108.6
676A35.3Very low33.1Very low98 Ų98138.6 Ų138.681%0.8179%0.794SS**  cis-139.7-114.916.900000115.4
677D39.3Very low33.2Very low155 Ų155140 Ų14083%0.82980%0.795SS**  trans-136.8165.2-154.9-166.713.2000114.5
678S36.4Very low33.2Very low103 Ų103138.2 Ų138.272%0.7279%0.787SS**  trans92.591.5161.670.90000121.4
679K37.3Very low33.2Very low216 Ų216141.6 Ų141.694%0.93979%0.792SS**  trans29.1132.1145.6-81.4-177.6173.3177.50123.1
680A33.7Very low33.2Very low109 Ų109139 Ų13990%0.90178%0.779SS**  trans-148.9165.4150.400000112
681Q29.7Very low33.4Very low168 Ų168142.9 Ų142.979%0.78579%0.786SS**  trans-108.6165.8-164.4-175.7171.8-18.700114.9E683Q681-E683 PolarHBondContact NE2-OE2 3.05Å
682R37.5Very low33.3Very low241 Ų241140.5 Ų140.591%0.90979%0.785SS**  trans-149.7148.5176-71.8-179.3175.4162-2.6113
683E30.6Very low33.7Very low174 Ų174142.3 Ų142.381%0.81379%0.788SS**  trans-164.3157.6163.8-95.7145.8152.100107.6Q681Q681-E683 PolarHBondContact NE2-OE2 3.05Å
684A31.2Very low33.5Very low83 Ų83146.3 Ų146.369%0.68680%0.796SS**  cis-155.9142.9-23.100000106.2
685L37.5Very low33.4Very low139 Ų139145.4 Ų145.473%0.72879%0.79SS**  56.5143.564.2-51.8-166000114
686R34.5Very low33Very low205 Ų205145.8 Ų145.877%0.77479%0.787SS**  cis-160-176.4-23.2-133.5-178.1-70.1-118.14.4106
687K31.1Very low34.1Very low179 Ų179145.8 Ų145.878%0.77878%0.779SS**  cis-154.2-175.122.3-117.3-156.7172.2-175.90106.6
688C31.2Very low33.6Very low93 Ų93146 Ų14663%0.62878%0.775SS**  cis83.5133.416.1-46.90000117.8
689L30.9Very low33.3Very low159 Ų159149.8 Ų149.883%0.83278%0.782SS**  cis-174.8166-12.4-80.5-171.4000105.5
690S30.5Very low32.9Very low89 Ų89143.1 Ų143.162%0.62277%0.774SS**  cis-175.1160.8-12.4-95.10000111.7
691I33.7Very low32.7Very low177 Ų177141.5 Ų141.591%0.90877%0.768SS**  trans71.8135.3156.8-65.5158.2000120.2
692G29.6Very low33.6Very low71 Ų71138.8 Ų138.873%0.73277%0.765SS**  trans170.9145.5165.200000113.1
693I37.1Very low33.3Very low167 Ų167133 Ų13386%0.85676%0.756SS**  trans-141.2162.2-175.9-64.7176.6000110
694Q25.7Very low33.3Very low181 Ų181131 Ų13185%0.84675%0.751SS**  trans96.3139.4162.9-155.5171.6-14.600115
695V32.5Very low33.4Very low112 Ų112134.1 Ų134.168%0.67975%0.752SS**  cis-172.9147.6-30.6122.10000107.5
696D27.7Very low33.1Very low142 Ų142134.6 Ų134.676%0.75975%0.75SS**  trans62.8171.3162.6-757.6000119.2
697P58.3Low33.1Very low98 Ų98129.3 Ų129.364%0.63674%0.744SS**  -141.2-160.1-66.940.6-20.7000114.2
698E29.3Very low33.2Very low159 Ų159128.8 Ų128.874%0.74374%0.742SS**  trans78.9146.2160.6-66.7-34.3118.200124.3
699E29.2Very low33.1Very low184 Ų184133 Ų13386%0.8675%0.75SS**  trans33143.9153.1-64.3-162116.300124.4
700G28.4Very low33.2Very low76 Ų76133.4 Ų133.478%0.78475%0.748SS**  trans112.1102.3134.900000117.4
701G30.8Very low33.4Very low74 Ų74132.9 Ų132.976%0.76374%0.744SS**  trans-77.5-170150.900000111.3
702P48.8Very low33.4Very low111 Ų111131.3 Ų131.372%0.72174%0.736SS**  cis-139.8176.622.138.8-19.8000116.2
703T29.6Very low33.5Very low120 Ų120131 Ų13174%0.73673%0.734SS**  trans63.3155.7152.838.20000117.8
704D32.2Very low33.5Very low131 Ų131130.4 Ų130.470%0.70173%0.73SS**  cis-151.7174.19.9-138.1-31.7000112.6
705E32.1Very low33.9Very low149 Ų149128.4 Ų128.470%0.69672%0.721SS**  trans52.2150.9152.4-64-152.1121.600121.9
706Q32.7Very low34.1Very low149 Ų149128.5 Ų128.570%0.69672%0.721SS**  cis-166.3152.9-29.9-116.6-159.369.900108
707S34.5Very low34.4Very low94 Ų94129.1 Ų129.166%0.65772%0.72SS**  trans66.3142.9158.3-80.50000119.1
708K31.8Very low33.2Very low168 Ų168131.4 Ų131.473%0.7373%0.727SS**  cis-162.7-168.1-8.3-135.1169.7-175.8166.80111.7
709F30.4Very low33.4Very low182 Ų182129.9 Ų129.980%0.79872%0.724SS**  trans79123.1178.2-49.1-70.1000113.5
710Q33.1Very low33.6Very low168 Ų168131.9 Ų131.979%0.78572%0.723SS**  cis-160.6122.40.1-168.7153-9.500107.4
711S33.2Very low33.8Very low78 Ų78132.7 Ų132.755%0.54572%0.716SS.*  cis67.9119.639.986.50000112.4
712I35Very low33.8Very low143 Ų143139.3 Ų139.373%0.73372%0.719SS**  cis-153.516025.3-77.5112.7000106.9I714I712-I714 HydrophobicContact CG2-CD1 3.67Å; I712-I714 HydrophobicContact CG2-CG1 3.9Å
713G31.2Very low32.9Very low66 Ų66145.4 Ų145.468%0.6873%0.728SS**  cis127.2-172.86.700000111.9
714I37.9Very low33.1Very low154 Ų154151.3 Ų151.379%0.7974%0.737SS**  trans73.7147167.3-61.6165.4000115.7I712I712-I714 HydrophobicContact CG2-CD1 3.67Å; I712-I714 HydrophobicContact CG2-CG1 3.9Å
715Q32.5Very low32.8Very low139 Ų139153.5 Ų153.565%0.6575%0.745SS**  cis-165.4-177.1-36.8-164.9153.9-0.500103.6E717Q715-E717 PolarHBondContact NE2-OE2 3.15Å
716V36.3Very low32.8Very low113 Ų113151.9 Ų151.969%0.68575%0.745SS**  cis-153.3142.322.5-162.30000104.3
717E35.8Very low32.8Very low156 Ų156156.1 Ų156.173%0.72976%0.755SS**  cis75.2165.943.6-150.8162-144.900113.7Q715Q715-E717 PolarHBondContact NE2-OE2 3.15Å
718D32.5Very low32.7Very low145 Ų145156.5 Ų156.578%0.77576%0.757SS**  trans71.1151.5-166.9-64.4-5.7000118.6
719D33.5Very low32.5Very low127 Ų127155.9 Ų155.968%0.67976%0.762SS**  -165.2154.5-60.7-153.3-4.5000109.9
720R32.7Very low32.6Very low227 Ų227151.9 Ų151.986%0.85776%0.757SS**  trans133.7146.9157.9-80.6159.6-77.6-146.6-10.5114
721C34Very low32.5Very low92 Ų92149.9 Ų149.962%0.62276%0.755SS**  cis154.7120.4-40.1174.30000108.8
722Y28.9Very low32.6Very low214 Ų214151 Ų15184%0.83976%0.76SS**  trans159.2142.7135.9-100.5-76.3000114.3
723R31.2Very low32.6Very low239 Ų239150.6 Ų150.690%0.90276%0.764SS**  trans51.8131.5164.5-79.8-167.8179.2-139.31.3121.1
724R33.6Very low32.5Very low243 Ų243151.1 Ų151.192%0.91776%0.762SS**  trans-61.6142.4158.3-74.1171-97156.6-8.3111.8
725M26.4Very low32.2Very low178 Ų178150 Ų15088%0.87776%0.762SS**  trans-147.7141.1135.7-167.559.68800110.3
726T32.3Very low32.1Very low114 Ų114151.2 Ų151.270%0.69977%0.767SS**  trans-92.6138.9170.548.50000110.1
727R31.4Very low31.7Very low239 Ų239150.6 Ų150.690%0.90277%0.774SS**  167.4158.8119.5-94.5175.9169.9-128.9-4.7112.9
728S33Very low31.2Very low101 Ų101149.9 Ų149.971%0.70678%0.775SS**  trans-52.1148.5160.2-33.40000111.9
729N28Very low31.1Very low156 Ų156149.7 Ų149.783%0.83477%0.773SS**  -166.1167.5103.1-96.1-8000112.4
730S31.6Very low30.8Very low98 Ų98150.5 Ų150.569%0.68578%0.778SS**  trans-65.5-176.2160.851.50000111.7
731V32.5Very low30.9Very low125 Ų125146.8 Ų146.876%0.75878%0.775SS**  trans74.7128.7163.1164.40000113.4
732T33.4Very low31.5Very low103 Ų103147.7 Ų147.763%0.63278%0.78SS**  cis-169.3177.60.224.40000110.4
733T35.1Very low31.6Very low134 Ų134141.8 Ų141.882%0.82278%0.775SS**  trans68.8164.4142.543.60000117.8
734A30.6Very low31.7Very low77 Ų77138.3 Ų138.364%0.63677%0.774SS**  cis-129.5172.3-200000108.9
735V30.1Very low32.1Very low130 Ų130130.5 Ų130.579%0.78876%0.762SS**  cis-136.115446.9176.80000112.3
736Q31.1Very low33.4Very low165 Ų165127.4 Ų127.477%0.77176%0.755SS**  trans-50.9163.8172.5-49.3109.2-91.900114.1
737A27.3Very low33.3Very low99 Ų99130.8 Ų130.882%0.81876%0.763SS**  cis-148.9170.310.400000113.1
738D26.1Very low33.5Very low142 Ų142126.6 Ų126.676%0.75976%0.758SS**  trans-99.6176.1162.7-175.218.2000109
739L30.3Very low34Very low140 Ų140126.7 Ų126.773%0.73376%0.756SS**  trans75.7144.7179.8-53.2152.9000114.3
740D27.8Very low34.1Very low145 Ų145126.4 Ų126.478%0.77575%0.749SS**  cis-136.4153.98.5-85.2-59.3000112.8
741D34.3Very low33.9Very low149 Ų149130.8 Ų130.880%0.79775%0.751SS**  trans-95.9137.4154.4-164-97.6000105.6
742P45.7Very low33.8Very low111 Ų111129.7 Ų129.772%0.72174%0.737SS**  -161.217582.542.7-21.5000119.7
743A32.6Very low33.4Very low90 Ų90133.1 Ų133.174%0.74474%0.74SS**  trans75143158.400000117.8
744D33.5Very low33Very low165 Ų165131 Ų13188%0.88274%0.736SS**  cis-120.8168.315.2-142.7-23.7000114.5
745A41Very low32.8Very low80 Ų80134.2 Ų134.266%0.66175%0.748SS**  trans-98.2-171.9-167.100000113
746P54.4Low33Very low113 Ų113136.3 Ų136.373%0.73475%0.751SS**  cis-144.8-172.54.145.1-25.5000118.5
747E29.5Very low33Very low184 Ų184134.1 Ų134.186%0.8675%0.752SS**  trans94.8172.5149.7-85.5-175.7162.400123.4
748L36Very low32.9Very low152 Ų152139.5 Ų139.580%0.79675%0.751SS**  trans-137.9179.7-139.8-85168.3000111.7
749P42.5Very low33.1Very low103 Ų103141.1 Ų141.167%0.66975%0.754SS**  cis-141.9162.6-26.335.6-16.1000117.8
750H30.6Very low32.8Very low149 Ų149142.8 Ų142.869%0.6976%0.757SS**  trans54.3125.4138.3-82.957.5000125.5Q752H750-Q752 PolarHBondContact CD2-NE2 2.97Å
751R26.8Very low32.5Very low190 Ų190140.8 Ų140.872%0.71776%0.755SS**  178.3136.2101.1-91.7-160.1120.7166.5-1.7110.9Y753R751-Y753 PolarHBondContact NH2-OH 3.49Å
752Q31.7Very low32.2Very low102 Ų102143.7 Ų143.748%0.47776%0.755SS.*  65.7125.566.4-63.1173.5-2.600113.4H750H750-Q752 PolarHBondContact CD2-NE2 2.97Å
753Y25Very low31.3Very low175 Ų175144.3 Ų144.369%0.68675%0.752SS**  cis-148.7161.25.7-44.9-97.2000108.4R751R751-Y753 PolarHBondContact NH2-OH 3.49Å
754A25.9Very low31Very low90 Ų90144.8 Ų144.874%0.74476%0.756SS**  cis94.7117.913.500000118.3
755T27.4Very low30.7Very low145 Ų145141.2 Ų141.289%0.8975%0.749SS**  trans142.9137.9157.4-63.40000115.5
756M32.4Very low30.2Very low173 Ų173143.5 Ų143.585%0.85276%0.755SS**  trans-110.2157.7169.7-70.6-94.9-75.100111.7
757P32.1Very low28.8Very low120 Ų120143.2 Ų143.278%0.77976%0.756SS**  trans-120.3103.2163.335.6-23.1000115.5
758R25.3Very low28.9Very low212 Ų212140.4 Ų140.480%0.875%0.751SS**  trans44.9110.5134.6-55179.8104.3139.23.7121.3
759Q29.9Very low28.7Very low175 Ų175139.5 Ų139.582%0.81875%0.752SS**  -1.3136.3123.7-56.2166.4-53.300118.1
760H24.2Very low28.1Very low176 Ų176140.2 Ų140.282%0.81576%0.759SS**  -173.1166.3126.9-72.7121.9000108
761S21.9Very low28.1Very low103 Ų103140.8 Ų140.872%0.7277%0.766SS**  cis-175.5135.2-44.4-165.60000108.6
762R28.5Very low28.4Very low210 Ų210140.1 Ų140.179%0.79277%0.771SS**  trans83.7121.1143.4-157.1170.2-172.4169.74.8123.3
763D26.5Very low28.3Very low123 Ų123138.9 Ų138.966%0.65879%0.785SS**  trans47.3135.5143.1-46.9-11.9000125.4
764A26.1Very low28.7Very low100 Ų100135.4 Ų135.483%0.82679%0.787SS**  109144.7127.300000122.4
765A27.3Very low28.8Very low90 Ų90134.7 Ų134.774%0.74479%0.788SS**  trans75.199152.800000121.4
766T29.2Very low29.1Very low129 Ų129135.9 Ų135.979%0.79179%0.789SS**  trans-3.3126.7135.252.10000119.1
767S25.5Very low28.9Very low107 Ų107135.3 Ų135.375%0.74878%0.784SS**  175.9146.8114-79.60000116
768T32.2Very low28.7Very low125 Ų125140.6 Ų140.677%0.76779%0.79SS**  trans36116.5146.960.80000122.4
769V30.9Very low28.9Very low133 Ų133137.9 Ų137.981%0.80679%0.786SS**  trans7.4126.9133.8-178.10000118.1I771V769-I771 HydrophobicContact CG1-CG1 4.38Å
770S29.8Very low29.2Very low118 Ų118134.4 Ų134.483%0.82579%0.787SS**  trans-137.7124.3145.754.70000110.2
771I31.3Very low29.4Very low160 Ų160131.9 Ų131.982%0.82179%0.788SS**  trans-93.3125.1171.8-64.8175.9000107.7V769V769-I771 HydrophobicContact CG1-CG1 4.38Å
772Q32.4Very low29.9Very low177 Ų177131.8 Ų131.883%0.82779%0.793SS**  trans-129.497.7169.4-174.9168.1-16.700109.8
773G29.7Very low30.1Very low76 Ų76126 Ų12678%0.78479%0.79SS**  trans-94.9118173.900000111.2
774S33.6Very low30.3Very low102 Ų102127.4 Ų127.471%0.71380%0.798SS**  trans-164.6137.717157.90000112.3
775G28.1Very low30.7Very low74 Ų74131.5 Ų131.576%0.76380%0.8SS**  trans97109.6158.600000115.9H777G775-H777 PolarHBondContact O-N 2.98Å
776N33.5Very low31Very low171 Ų171138.6 Ų138.691%0.91481%0.809SS**  trans-73.5112.9164.1-62.8-28000109
777H29Very low31.1Very low161 Ų161135.6 Ų135.675%0.74580%0.803SS**  trans-148.1119.1166.5-148.352.5000111.4G775 H779G775-H777 PolarHBondContact O-N 2.98Å; H777-H779 AromaticContact CD2-CD2 3.73Å; H777-H779 AromaticContact NE2-CD2 3.68Å
778Y28.6Very low31.8Very low230 Ų230137.7 Ų137.790%0.90281%0.806SS**  trans-83.8121.3170.9-73.5-92000108.7
779H29.6Very low31.9Very low155 Ų155137.6 Ų137.672%0.71881%0.805SS**  trans-134113.1162.4-115.6-86.7000108.8H777H777-H779 AromaticContact CD2-CD2 3.73Å; H777-H779 AromaticContact NE2-CD2 3.68Å
780A34.8Very low32.6Very low102 Ų102134.9 Ų134.984%0.84380%0.804SS**  trans-80.8123.2170.300000108.8
781C29.6Very low32.9Very low123 Ų123138.4 Ų138.483%0.83181%0.805SS**  trans-138.9150.9164.8-78.70000107.1
782A32.4Very low33.5Very low101 Ų101134.8 Ų134.884%0.83579%0.787SS**  trans-110.3169.2-159.200000114.2
783A31.3Very low34Very low88 Ų88131.3 Ų131.373%0.72778%0.78SS**  trans80.6123.8160.900000119.4
784D32Very low34.9Very low154 Ų154132.2 Ų132.282%0.82478%0.775SS**  trans76.6138.6142.3-57.9-22.3000124.1
785E33.8Very low35.5Very low185 Ų185134 Ų13486%0.86477%0.774SS**  trans37.8102161.3-63.2-168.7124.100120.3
786Y34.1Very low36.1Very low240 Ų240136.9 Ų136.994%0.94177%0.772SS**  -146.6143.9117.3-127.1-90.3000110.5
787G30.8Very low36.9Very low65 Ų65133.8 Ų133.867%0.6776%0.761SS**  trans-104.9178.6-170.900000115.7
788D39.6Very low37.8Very low151 Ų151131 Ų13181%0.80776%0.757SS**  trans50.692.3164.9-166.720.4000118.8G790D788-G790 PolarHBondContact OD1-N 3.41Å
789V35.8Very low38.8Very low124 Ų124125.8 Ų125.875%0.75275%0.752SS**  trans-134.3108.3132.1-840000109F791V789-F791 PolarHBondContact O-N 2.88Å
790G44.2Very low39.2Very low76 Ų76123.5 Ų123.578%0.78475%0.745SS**  trans-60104.6179.300000113.8D788D788-G790 PolarHBondContact OD1-N 3.41Å
791F37.3Very low40.3Very low191 Ų191123.5 Ų123.584%0.83874%0.736SS**  trans-103.1117.4166-99-94.4000109.6V789 P793V789-F791 PolarHBondContact O-N 2.88Å; F791-P793 VanDerWaalsContact O-CD 3.28Å; F791-P793 WeakPolarHBondContact O-CD 3.23Å
792D42.7Very low41.3Very low84 Ų84126 Ų12645%0.44973%0.728SS.*  trans-75.5115.5178.8179.115000111.3S794 I795D792-S794 PolarHBondContact O-N 3.19Å; D792-S794 WeakPolarHBondContact OD1-CB 3.48Å; D792-S794 PolarHBondContact OD1-N 2.92Å; D792-S794 PolarHBondContact OD1-OG 3.4Å; D792-I795 HydrophobicContact CB-CD1 4.15Å; D792-I795 HydrophobicContact CB-CG1 4.49Å; D792-I795 WeakPolarHBondContact OD2-CG1 3.35Å
793P44.5Very low41.5Very low105 Ų105127.9 Ų127.968%0.68272%0.721SS**G310 helixtrans-68.2-20.7176.6-17.132.7000113.1F791 I795 L796F791-P793 VanDerWaalsContact O-CD 3.28Å; F791-P793 WeakPolarHBondContact O-CD 3.23Å; P793-I795 PolarHBondContact O-N 3.29Å; P793-I795 VanDerWaalsContact O-N 3.15Å; P793-L796 PolarHBondContact O-N 2.89Å
794S48.7Very low42Very low95 Ų95129.5 Ų129.566%0.66472%0.718SS**G310 helixtrans-69.3-13.2-169.6-40.70000114.3D792D792-S794 PolarHBondContact O-N 3.19Å; D792-S794 WeakPolarHBondContact OD1-CB 3.48Å; D792-S794 PolarHBondContact OD1-N 2.92Å; D792-S794 PolarHBondContact OD1-OG 3.4Å
795I44.9Very low42.2Very low138 Ų138127.6 Ų127.671%0.70872%0.716SS**G310 helixtrans-90.2-15.1-175.9-60.2172.6000111.8D792 P793D792-I795 HydrophobicContact CB-CD1 4.15Å; D792-I795 HydrophobicContact CB-CG1 4.49Å; D792-I795 WeakPolarHBondContact OD2-CG1 3.35Å; P793-I795 PolarHBondContact O-N 3.29Å; P793-I795 VanDerWaalsContact O-N 3.15Å
796L41.9Very low42.2Very low136 Ų136124.9 Ų124.971%0.71271%0.712SS**SBendtrans-85.8141.3179.2-63.8179.8000111.7P793P793-L796 PolarHBondContact O-N 2.89Å
797P48.6Very low42.9Very low106 Ų106118.9 Ų118.969%0.68870%0.702SS**PPolyproline II helixtrans-62.5148.5164.229.9-34.2000109.5
798P49.6Very low43Very low102 Ų102124.6 Ų124.666%0.66271%0.712SS**PPolyproline II helixtrans-57.5137-179.423.9-34000110.6D800P798-D800 PolarHBondContact O-N 3.06Å
799P49.6Very low43.2Very low121 Ų121123.4 Ų123.479%0.78671%0.712SS**PPolyproline II helixtrans-64.3137.2-175.125.3-33.9000111.4P801P799-P801 WeakPolarHBondContact O-CD 3.29Å
800D37.5Very low43.4Very low107 Ų107121.9 Ų121.957%0.57271%0.713SS**PPolyproline II helixtrans-64.9121.3-174.4-133.64.6000109.8P798 W802 M803P798-D800 PolarHBondContact O-N 3.06Å; D800-W802 PolarHBondContact O-N 3.32Å; D800-W802 PolarHBondContact OD2-NE1 3.23Å; D800-M803 PolarHBondContact O-N 2.85Å
801P57.1Low42.9Very low101 Ų101123.3 Ų123.366%0.65672%0.717SS**THydrogen-bonded Turntrans-64.57.8-164.2-27.535.7000118.4P799P799-P801 WeakPolarHBondContact O-CD 3.29Å
802W51.9Low42.9Very low176 Ų176119.2 Ų119.267%0.66772%0.719SS**THydrogen-bonded Turntrans-107-2.7-177.763.1-80.7000113.9D800D800-W802 PolarHBondContact O-N 3.32Å; D800-W802 PolarHBondContact OD2-NE1 3.23Å
803M35.9Very low43Very low141 Ų141121.5 Ų121.570%0.69574%0.735SS**  trans-116.351.8-179-71.8-63.6-134.700113.4D800D800-M803 PolarHBondContact O-N 2.85Å
804D40.8Very low42.7Very low122 Ų122125.8 Ų125.865%0.65275%0.746SS**  trans-144.4114.4149.3-160.7-2.2000111.2
805S38Very low42.2Very low114 Ų114126.3 Ų126.380%0.79776%0.756SS**  trans-166.157-178.1-73.50000109.7P807S805-P807 WeakPolarHBondContact O-CD 3.39Å
806V32.3Very low42.1Very low127 Ų127127.5 Ų127.577%0.7776%0.763SS**  trans-73.8118.1161.6-179.30000108E808V806-E808 PolarHBondContact O-N 3.39Å
807P50Low42Very low114 Ų114129.7 Ų129.774%0.7477%0.77SS**  trans-80.4113.5176.331.2-31.4000110.2S805S805-P807 WeakPolarHBondContact O-CD 3.39Å
808E31.4Very low41.3Very low186 Ų186128.8 Ų128.887%0.86977%0.771SS**  trans-72.5130.7166.6-138.4-148.6151.400109.4V806 A810V806-E808 PolarHBondContact O-N 3.39Å; E808-A810 PolarHBondContact O-N 3.35Å
809P44.9Very low41Very low125 Ų125131.7 Ų131.781%0.81279%0.787SS**  trans-89.691.1-166.233.7-34.9000113.3
810A39.1Very low40.3Very low92 Ų92130.5 Ų130.576%0.7678%0.781SS**  trans-132.4135165.300000111.7E808E808-A810 PolarHBondContact O-N 3.35Å
811A34.3Very low40.6Very low106 Ų106137.1 Ų137.188%0.87680%0.798SS**  trans59.261.5174.900000117V813A811-V813 PolarHBondContact O-N 3.39Å
812A37.9Very low39.9Very low106 Ų106136.8 Ų136.888%0.87680%0.798SS**  trans-85.593.7166.500000112.2
813V45.1Very low39.9Very low132 Ų132134.6 Ų134.680%0.880%0.804SS**  trans-141.4140.2158.6-159.50000108.3A811A811-V813 PolarHBondContact O-N 3.39Å
814E36.8Very low40.9Very low194 Ų194132.2 Ų132.291%0.90780%0.801SS**  trans58.172.4179.9-54.3-151.5142.700116.5
815A39Very low42.5Very low106 Ų106130.5 Ų130.588%0.87680%0.796SS**  trans-13466.9160.900000110.9
816L42.7Very low44.8Very low164 Ų164132.5 Ų132.586%0.85979%0.786SS**  trans-108.6163.1163-128.273.2000108.9
817E38.7Very low47.5Very low181 Ų181128.3 Ų128.385%0.84676%0.759SS**SBendtrans61.568.9179.3-63.8-60.3109.300116.8
818A34.4Very low49.6Very low87 Ų87122.9 Ų122.972%0.71972%0.724SS**  trans-175.672.3140.300000114.3S820A818-S820 PolarHBondContact O-N 3.09Å
819V43Very low52.6Low163 Ų163122 Ų12299%0.98871%0.713SS**  trans-78.663.1161.1-172.50000109.9
820S36.1Very low55Low96 Ų96119.3 Ų119.367%0.67169%0.686SS**  trans-89.9147.9162.2-75.70000109.2A818 S822A818-S820 PolarHBondContact O-N 3.09Å; S820-S822 PolarHBondContact O-N 2.93Å
821R43.7Very low57.7Low246 Ų246115 Ų11593%0.92865%0.65SS**  trans-6790.2159.5-78.7-170.6176.499.9-1.5107.9V823R821-V823 VanDerWaalsContact C-N 3.31Å; R821-V823 PolarHBondContact O-N 2.99Å
822S41.3Very low60.7Low94 Ų94111.5 Ų111.566%0.65762%0.617SS**  trans-62.896.5169.4-172.70000108S820 C824S820-S822 PolarHBondContact O-N 2.93Å; S822-C824 VanDerWaalsContact C-N 3.3Å; S822-C824 PolarHBondContact O-N 3.36Å
823V53.3Low63.4Low131 Ų131113.7 Ų113.779%0.79461%0.607SS**  trans-64.4101.4161.8176.60000104.7R821 P825R821-V823 VanDerWaalsContact C-N 3.31Å; R821-V823 PolarHBondContact O-N 2.99Å; V823-P825 WeakPolarHBondContact O-CD 3.44Å
824C56.7Low65.9Low91 Ų91109.8 Ų109.862%0.61558%0.581SS**  trans-46.1118.1-176.7-59.80000109S822 R826S822-C824 VanDerWaalsContact C-N 3.3Å; S822-C824 PolarHBondContact O-N 3.36Å; C824-R826 PolarHBondContact O-N 2.94Å
825P74.5Confident68.8Low86 Ų86100.6 Ų100.656%0.55854%0.538SS*.  trans-54133.9-178.2-28.235.6000109.9V823 D827V823-P825 WeakPolarHBondContact O-CD 3.44Å; P825-D827 HydrophobicContact CB-CB 4.45Å; P825-D827 PolarHBondContact O-N 3.05Å
826R85.3Confident71.5Confident155 Ų15598.6 Ų98.659%0.58551%0.511SS*.  trans-74.866.5168.5-66.8-168.4-180-168.6-0.5108.8C824 W830 F831 S902C824-R826 PolarHBondContact O-N 2.94Å; R826-W830 HydrophobicContact CB-CD2 4.39Å; R826-W830 HydrophobicContact CB-CE3 4.02Å; R826-W830 HydrophobicContact CG-CD2 3.91Å; R826-W830 HydrophobicContact CG-CE3 3.8Å; R826-W830 HydrophobicContact CG-CG 4.44Å; R826-W830 HydrophobicContact CG-CZ3 4.13Å; R826-F831 HydrophobicContact CB-CE2 3.95Å; R826-F831 HydrophobicContact CB-CZ 4.35Å; R826-F831 WeakPolarHBondContact O-CE2 3.23Å; R826-S902 WeakPolarHBondContact O-CB 3.38Å; R826-S902 PolarHBondContact O-OG 2.92Å
827D89.3Confident74.1Confident39 Ų3993 Ų9321%0.20949%0.488CS..SBendtrans-89179.817475.9-6.4000110.4P825 R829 W830 F831 L892P825-D827 HydrophobicContact CB-CB 4.45Å; P825-D827 PolarHBondContact O-N 3.05Å; D827-R829 PolarHBondContact O-N 2.88Å; D827-R829 VanDerWaalsContact O-N 3.13Å; D827-R829 WeakPolarHBondContact OD1-CA 3.49Å; D827-R829 VanDerWaalsContact OD1-CB 3.27Å; D827-R829 WeakPolarHBondContact OD1-CB 3.41Å; D827-R829 PolarHBondContact OD1-N 2.9Å; D827-W830 PolarHBondContact O-N 2.86Å; D827-W830 VanDerWaalsContact O-N 3.14Å; D827-W830 PolarHBondContact OD1-N 2.71Å; D827-F831 VanDerWaalsContact O-CD2 3.29Å; D827-F831 WeakPolarHBondContact O-CD2 3.47Å; D827-F831 PolarHBondContact O-N 2.8Å; D827-F831 VanDerWaalsContact O-N 3.11Å; D827-L892 HydrophobicContact CB-CD2 4.32Å
828G93.3Very high76.9Confident0 Ų085.1 Ų85.10%045%0.451CS..Hα-helixtrans-56.2-25.1175.700000114L832 N891G828-L832 WeakPolarHBondContact O-CB 3.5Å; G828-L832 WeakPolarHBondContact O-CD1 3.41Å; G828-L832 WeakPolarHBondContact O-CG 3.31Å; G828-L832 PolarHBondContact O-N 3Å; G828-N891 PolarHBondContact N-OD1 2.84Å
829R94.7Very high79.9Confident168 Ų16881.5 Ų81.563%0.63442%0.42SS*.Hα-helixtrans-72.6-41.8177.3-57.5178-176.3-80-1.1110.8D827 K833 L892D827-R829 PolarHBondContact O-N 2.88Å; D827-R829 VanDerWaalsContact O-N 3.13Å; D827-R829 WeakPolarHBondContact OD1-CA 3.49Å; D827-R829 VanDerWaalsContact OD1-CB 3.27Å; D827-R829 WeakPolarHBondContact OD1-CB 3.41Å; D827-R829 PolarHBondContact OD1-N 2.9Å; R829-K833 PolarHBondContact O-N 2.99Å; R829-K833 VanDerWaalsContact O-N 3.11Å; R829-L892 HydrophobicContact CB-CD1 4.5Å; R829-L892 HydrophobicContact CG-CD1 3.52Å; R829-L892 HydrophobicContact CG-CD2 3.76Å; R829-L892 HydrophobicContact CG-CG 4.29Å
830W94.9Very high82.5Confident68 Ų6878.6 Ų78.626%0.25840%0.396SS..Hα-helixtrans-62.2-47.4174.6-173.381.1000111.1R826 D827 K833 L834R826-W830 HydrophobicContact CB-CD2 4.39Å; R826-W830 HydrophobicContact CB-CE3 4.02Å; R826-W830 HydrophobicContact CG-CD2 3.91Å; R826-W830 HydrophobicContact CG-CE3 3.8Å; R826-W830 HydrophobicContact CG-CG 4.44Å; R826-W830 HydrophobicContact CG-CZ3 4.13Å; D827-W830 PolarHBondContact O-N 2.86Å; D827-W830 VanDerWaalsContact O-N 3.14Å; D827-W830 PolarHBondContact OD1-N 2.71Å; W830-K833 PolarHBondContact O-N 3.27Å; W830-L834 HydrophobicContact CH2-CD2 3.63Å; W830-L834 HydrophobicContact CZ2-CD2 4.29Å; W830-L834 HydrophobicContact CZ3-CD2 3.79Å; W830-L834 PolarHBondContact O-N 2.73Å; W830-L834 VanDerWaalsContact O-N 3.11Å
831F96.6Very high85.4Confident1 Ų178.7 Ų78.70%0.00438%0.381CS..Hα-helixtrans-67.1-35.8178.4-77.2-69.8000113.3R826 D827 L834 L835 F884 C888 L905 A906 W909R826-F831 HydrophobicContact CB-CE2 3.95Å; R826-F831 HydrophobicContact CB-CZ 4.35Å; R826-F831 WeakPolarHBondContact O-CE2 3.23Å; D827-F831 VanDerWaalsContact O-CD2 3.29Å; D827-F831 WeakPolarHBondContact O-CD2 3.47Å; D827-F831 PolarHBondContact O-N 2.8Å; D827-F831 VanDerWaalsContact O-N 3.11Å; F831-L834 PolarHBondContact O-N 2.84Å; F831-L835 VanDerWaalsContact O-CB 3.25Å; F831-L835 WeakPolarHBondContact O-CB 3.46Å; F831-L835 PolarHBondContact O-N 3.12Å; F831-F884 HydrophobicContact CB-CE1 3.84Å; F831-F884 HydrophobicContact CB-CZ 3.84Å; F831-F884 HydrophobicContact CD1-CE1 4.07Å; F831-F884 AromaticContact CD1-CZ 3.61Å; F831-F884 HydrophobicContact CD1-CZ 3.61Å; F831-F884 HydrophobicContact CE1-CZ 4.33Å; F831-F884 HydrophobicContact CG-CE1 4.28Å; F831-F884 AromaticContact CG-CZ 3.84Å; F831-F884 HydrophobicContact CG-CZ 3.84Å; F831-C888 VanDerWaalsContact CB-SG 3.52Å; F831-L905 HydrophobicContact CD2-CB 3.6Å; F831-L905 HydrophobicContact CD2-CD1 3.68Å; F831-L905 HydrophobicContact CD2-CG 4.32Å; F831-L905 HydrophobicContact CE2-CB 3.53Å; F831-L905 HydrophobicContact CE2-CD1 4.28Å; F831-L905 HydrophobicContact CG-CB 4.23Å; F831-L905 HydrophobicContact CG-CD1 4.4Å; F831-L905 HydrophobicContact CZ-CB 4.11Å; F831-A906 HydrophobicContact CZ-CB 3.96Å; F831-W909 HydrophobicContact CD1-CB 4.03Å; F831-W909 HydrophobicContact CD1-CD2 4.4Å; F831-W909 HydrophobicContact CD1-CG 4.14Å; F831-W909 HydrophobicContact CE1-CB 3.62Å; F831-W909 AromaticContact CE1-CG 3.87Å; F831-W909 HydrophobicContact CE1-CG 3.87Å
832L96.6Very high88Confident33 Ų3367 Ų6717%0.17334%0.337CS..Hα-helixtrans-64.2-42.1173.7-78165.6000112.3G828 Q836 R885 C888 E889 L892G828-L832 WeakPolarHBondContact O-CB 3.5Å; G828-L832 WeakPolarHBondContact O-CD1 3.41Å; G828-L832 WeakPolarHBondContact O-CG 3.31Å; G828-L832 PolarHBondContact O-N 3Å; L832-Q836 VanDerWaalsContact O-CB 3.3Å; L832-Q836 WeakPolarHBondContact O-CB 3.43Å; L832-Q836 PolarHBondContact O-N 3.35Å; L832-R885 HydrophobicContact CD2-CB 4.3Å; L832-R885 HydrophobicContact CD2-CG 3.64Å; L832-C888 HydrophobicContact CD1-CB 4.18Å; L832-C888 HydrophobicContact CD2-CB 4Å; L832-C888 HydrophobicContact CG-CB 3.68Å; L832-E889 HydrophobicContact CD1-CG 4.24Å; L832-L892 HydrophobicContact CD1-CD1 4.07Å
833K96.4Very high90.7Very high153 Ų15366.5 Ų66.567%0.66533%0.325SS*.Hα-helixtrans-61.5-44174.3-76.8-168.5173.5-164.30111.7R829 W830 Q836 A837R829-K833 PolarHBondContact O-N 2.99Å; R829-K833 VanDerWaalsContact O-N 3.11Å; W830-K833 PolarHBondContact O-N 3.27Å; K833-Q836 PolarHBondContact O-N 3Å; K833-A837 PolarHBondContact O-N 2.97Å; K833-A837 VanDerWaalsContact O-N 3.15Å
834L96.3Very high92.8Very high50 Ų5061.3 Ų61.326%0.26230%0.298SS..Hα-helixtrans-67.3-42.6-180-174.161.8000112.1W830 F831 Q836 E838 W909W830-L834 HydrophobicContact CH2-CD2 3.63Å; W830-L834 HydrophobicContact CZ2-CD2 4.29Å; W830-L834 HydrophobicContact CZ3-CD2 3.79Å; W830-L834 PolarHBondContact O-N 2.73Å; W830-L834 VanDerWaalsContact O-N 3.11Å; F831-L834 PolarHBondContact O-N 2.84Å; L834-Q836 VanDerWaalsContact C-N 3.3Å; L834-Q836 PolarHBondContact O-N 3.15Å; L834-E838 WeakPolarHBondContact O-CB 3.3Å; L834-E838 PolarHBondContact O-N 3.15Å; L834-E838 VanDerWaalsContact O-N 3.15Å; L834-W909 HydrophobicContact CD1-CZ2 4.36Å; L834-W909 HydrophobicContact CD2-CD2 4.12Å; L834-W909 VanDerWaalsContact CD2-CE2 3.47Å; L834-W909 HydrophobicContact CD2-CH2 4.1Å; L834-W909 HydrophobicContact CD2-CZ2 3.47Å; L834-W909 VanDerWaalsContact CD2-CZ2 3.47Å; L834-W909 HydrophobicContact CG-CH2 3.76Å; L834-W909 HydrophobicContact CG-CZ2 3.54Å; L834-W909 HydrophobicContact CG-CZ3 4.45Å
835L97.4Very high94.8Very high0 Ų059.3 Ų59.30%028%0.277CS..Hα-helixtrans-59.7-41.2173.2-177.269.4000111.7F831 E838 T839 F881 F884 R885 W909 L912F831-L835 VanDerWaalsContact O-CB 3.25Å; F831-L835 WeakPolarHBondContact O-CB 3.46Å; F831-L835 PolarHBondContact O-N 3.12Å; L835-E838 PolarHBondContact O-N 2.86Å; L835-T839 WeakPolarHBondContact O-CB 3.42Å; L835-T839 PolarHBondContact O-N 3.03Å; L835-T839 PolarHBondContact O-OG1 3.08Å; L835-F881 HydrophobicContact CD1-CB 3.73Å; L835-F881 HydrophobicContact CD1-CD1 4.04Å; L835-F881 HydrophobicContact CD1-CD2 3.61Å; L835-F881 HydrophobicContact CD1-CE2 4.13Å; L835-F881 HydrophobicContact CD1-CG 3.53Å; L835-F881 HydrophobicContact CD2-CB 4.46Å; L835-F881 WeakPolarHBondContact CD2-O 3.37Å; L835-F881 HydrophobicContact CG-CB 4.38Å; L835-F881 HydrophobicContact CG-CD2 4.34Å; L835-F881 HydrophobicContact CG-CG 4.5Å; L835-F884 HydrophobicContact CB-CD1 4.4Å; L835-F884 HydrophobicContact CD1-CD1 3.98Å; L835-F884 HydrophobicContact CD2-CD1 4.08Å; L835-F884 HydrophobicContact CG-CD1 4.38Å; L835-R885 HydrophobicContact CD2-CB 3.82Å; L835-W909 HydrophobicContact CB-CZ3 4.3Å; L835-W909 HydrophobicContact CD1-CZ3 4.05Å; L835-L912 HydrophobicContact CD1-CD2 3.96Å
836Q97.3Very high95.9Very high65 Ų6555.4 Ų55.430%0.30425%0.252SS..Hα-helixtrans-65.2-48.1-178.8-1735933.700111.7L832 K833 L834 E838 T839 E840L832-Q836 VanDerWaalsContact O-CB 3.3Å; L832-Q836 WeakPolarHBondContact O-CB 3.43Å; L832-Q836 PolarHBondContact O-N 3.35Å; K833-Q836 PolarHBondContact O-N 3Å; L834-Q836 VanDerWaalsContact C-N 3.3Å; L834-Q836 PolarHBondContact O-N 3.15Å; Q836-E838 VanDerWaalsContact C-N 3.27Å; Q836-E838 PolarHBondContact O-N 3.32Å; Q836-T839 WeakPolarHBondContact O-CB 3.36Å; Q836-T839 PolarHBondContact O-N 3.39Å; Q836-T839 VanDerWaalsContact O-N 3.08Å; Q836-E840 WeakPolarHBondContact CG-OE1 3.4Å; Q836-E840 PolarHBondContact NE2-OE1 2.84Å; Q836-E840 WeakPolarHBondContact O-CG 3.46Å; Q836-E840 PolarHBondContact O-N 3.33Å
837A96.9Very high96.4Very high46 Ų4655.2 Ų55.238%0.3825%0.251SS..Hα-helixtrans-60.3-36.5175.800000112.8K833 R841K833-A837 PolarHBondContact O-N 2.97Å; K833-A837 VanDerWaalsContact O-N 3.15Å; A837-R841 WeakPolarHBondContact O-CB 3.36Å; A837-R841 PolarHBondContact O-N 2.87Å; A837-R841 VanDerWaalsContact O-N 3.08Å
838E97.1Very high96.8Very high16 Ų1657.1 Ų57.18%0.07526%0.259CS..Hα-helixtrans-71.9-33.6175-172.562-115.400112.7L834 L835 Q836 R841 M842 F881 W909 I916L834-E838 WeakPolarHBondContact O-CB 3.3Å; L834-E838 PolarHBondContact O-N 3.15Å; L834-E838 VanDerWaalsContact O-N 3.15Å; L835-E838 PolarHBondContact O-N 2.86Å; Q836-E838 VanDerWaalsContact C-N 3.27Å; Q836-E838 PolarHBondContact O-N 3.32Å; E838-R841 IonicContact OE1-CZ 2.84Å; E838-R841 IonicContact OE1-NE 3.18Å; E838-R841 PolarHBondContact OE1-NE 3.35Å; E838-R841 IonicContact OE1-NH2 2.86Å; E838-R841 PolarHBondContact OE1-NH2 3.15Å; E838-R841 IonicContact OE2-CZ 2.73Å; E838-R841 IonicContact OE2-NE 3.4Å; E838-R841 IonicContact OE2-NH2 2.66Å; E838-R841 PolarHBondContact OE2-NH2 3.08Å; E838-M842 WeakPolarHBondContact O-CB 3.47Å; E838-M842 PolarHBondContact O-N 2.96Å; E838-M842 VanDerWaalsContact O-N 3.11Å; E838-F881 HydrophobicContact CB-CE2 4.29Å; E838-F881 HydrophobicContact CB-CZ 4.48Å; E838-F881 HydrophobicContact CG-CE2 3.98Å; E838-F881 HydrophobicContact CG-CZ 3.73Å; E838-W909 HydrophobicContact CB-CH2 4.27Å; E838-W909 HydrophobicContact CG-CH2 4.48Å; E838-I916 HydrophobicContact CG-CD1 3.65Å; E838-I916 HydrophobicContact CG-CG1 4.13Å; E838-I916 HydrophobicContact CG-CG2 4.23Å; E838-I916 WeakPolarHBondContact OE1-CG2 3.46Å
839T97.6Very high96.9Very high10 Ų1057.1 Ų57.16%0.06126%0.259CS..Hα-helixtrans-61.9-53.1172.8-50.50000109.5L835 Q836 R841 M842 E843 M877 F881L835-T839 WeakPolarHBondContact O-CB 3.42Å; L835-T839 PolarHBondContact O-N 3.03Å; L835-T839 PolarHBondContact O-OG1 3.08Å; Q836-T839 WeakPolarHBondContact O-CB 3.36Å; Q836-T839 PolarHBondContact O-N 3.39Å; Q836-T839 VanDerWaalsContact O-N 3.08Å; T839-R841 VanDerWaalsContact C-N 3.33Å; T839-R841 PolarHBondContact O-N 3.05Å; T839-M842 PolarHBondContact O-N 3.08Å; T839-E843 HydrophobicContact CG2-CG 4.26Å; T839-E843 WeakPolarHBondContact O-CB 3.32Å; T839-E843 WeakPolarHBondContact O-CG 3.37Å; T839-E843 PolarHBondContact O-N 3.43Å; T839-M877 HydrophobicContact CG2-SD 4.04Å; T839-F881 HydrophobicContact CG2-CD2 4.5Å; T839-F881 WeakPolarHBondContact OG1-CD2 3.39Å
840E97.8Very high96.9Very high103 Ų10352.8 Ų52.848%0.48125%0.246SC..Hα-helixtrans-60.8-40.7-178.1-71.9163.2-16700112.2Q836 G844Q836-E840 WeakPolarHBondContact CG-OE1 3.4Å; Q836-E840 PolarHBondContact NE2-OE1 2.84Å; Q836-E840 WeakPolarHBondContact O-CG 3.46Å; Q836-E840 PolarHBondContact O-N 3.33Å; E840-G844 PolarHBondContact O-N 3.45Å
841R97.6Very high96.9Very high97 Ų9754 Ų5437%0.36625%0.254SS..Hα-helixtrans-58.9-50.5173.9-177.5173.778.2150.64.2111.9A837 E838 T839 G844 W845A837-R841 WeakPolarHBondContact O-CB 3.36Å; A837-R841 PolarHBondContact O-N 2.87Å; A837-R841 VanDerWaalsContact O-N 3.08Å; E838-R841 IonicContact OE1-CZ 2.84Å; E838-R841 IonicContact OE1-NE 3.18Å; E838-R841 PolarHBondContact OE1-NE 3.35Å; E838-R841 IonicContact OE1-NH2 2.86Å; E838-R841 PolarHBondContact OE1-NH2 3.15Å; E838-R841 IonicContact OE2-CZ 2.73Å; E838-R841 IonicContact OE2-NE 3.4Å; E838-R841 IonicContact OE2-NH2 2.66Å; E838-R841 PolarHBondContact OE2-NH2 3.08Å; T839-R841 VanDerWaalsContact C-N 3.33Å; T839-R841 PolarHBondContact O-N 3.05Å; R841-G844 WeakPolarHBondContact O-CA 3.4Å; R841-G844 PolarHBondContact O-N 3.18Å; R841-W845 HydrophobicContact CG-CD2 4.38Å; R841-W845 HydrophobicContact CG-CH2 4.23Å; R841-W845 HydrophobicContact CG-CZ2 3.91Å; R841-W845 PolarHBondContact O-N 2.86Å
842M97.5Very high96.7Very high0 Ų054 Ų540%026%0.255CS..Hα-helixtrans-76.9-31-174.7-176.4151.944.700112.6E838 T839 G844 W845 C846 A873 L876 M877 F881 I916 I919E838-M842 WeakPolarHBondContact O-CB 3.47Å; E838-M842 PolarHBondContact O-N 2.96Å; E838-M842 VanDerWaalsContact O-N 3.11Å; T839-M842 PolarHBondContact O-N 3.08Å; M842-G844 VanDerWaalsContact C-N 3.31Å; M842-W845 HydrophobicContact CB-CE3 4.39Å; M842-W845 HydrophobicContact CG-CE3 4.47Å; M842-W845 PolarHBondContact O-N 3.24Å; M842-C846 PolarHBondContact O-N 2.94Å; M842-C846 PolarHBondContact O-SG 3.19Å; M842-A873 HydrophobicContact CG-CB 3.69Å; M842-A873 HydrophobicContact SD-CB 3.75Å; M842-L876 HydrophobicContact CE-CD2 4.23Å; M842-M877 HydrophobicContact CB-SD 3.95Å; M842-M877 HydrophobicContact CE-CG 3.91Å; M842-M877 HydrophobicContact CE-SD 4.21Å; M842-M877 HydrophobicContact CG-CE 4.21Å; M842-M877 HydrophobicContact CG-SD 3.98Å; M842-F881 HydrophobicContact CE-CE1 3.95Å; M842-F881 HydrophobicContact CE-CE2 3.74Å; M842-F881 HydrophobicContact CE-CZ 3.23Å; M842-I916 HydrophobicContact CE-CG1 4.34Å; M842-I919 HydrophobicContact SD-CB 4.4Å; M842-I919 HydrophobicContact SD-CG2 3.73Å
843E97.9Very high96.4Very high85 Ų8554.7 Ų54.740%0.39726%0.257SS..Hα-helixtrans-65.1-33165.5-73.8-178.7170.600112.4T839 R847 M877T839-E843 HydrophobicContact CG2-CG 4.26Å; T839-E843 WeakPolarHBondContact O-CB 3.32Å; T839-E843 WeakPolarHBondContact O-CG 3.37Å; T839-E843 PolarHBondContact O-N 3.43Å; E843-R847 WeakPolarHBondContact O-CB 3.47Å; E843-R847 WeakPolarHBondContact O-CG 3.39Å; E843-R847 PolarHBondContact O-N 2.85Å; E843-R847 PolarHBondContact O-NE 2.84Å; E843-M877 HydrophobicContact CG-CE 3.77Å; E843-M877 HydrophobicContact CG-SD 3.84Å
844G97.4Very high96.1Very high22 Ų2253 Ų5323%0.22726%0.259CS..Hα-helixtrans-62.6-50.1170.900000111.8E840 R841 M842 C846 R847 Q848E840-G844 PolarHBondContact O-N 3.45Å; R841-G844 WeakPolarHBondContact O-CA 3.4Å; R841-G844 PolarHBondContact O-N 3.18Å; M842-G844 VanDerWaalsContact C-N 3.31Å; G844-C846 PolarHBondContact O-N 3.11Å; G844-R847 PolarHBondContact O-N 3.37Å; G844-Q848 WeakPolarHBondContact O-CB 3.38Å; G844-Q848 PolarHBondContact O-N 2.82Å
845W97.4Very high95.8Very high48 Ų4856.7 Ų56.718%0.18228%0.275CS..Hα-helixtrans-61-40.5175-65.7-24.3000113.2R841 M842 Q848 M849 F923R841-W845 HydrophobicContact CG-CD2 4.38Å; R841-W845 HydrophobicContact CG-CH2 4.23Å; R841-W845 HydrophobicContact CG-CZ2 3.91Å; R841-W845 PolarHBondContact O-N 2.86Å; M842-W845 HydrophobicContact CB-CE3 4.39Å; M842-W845 HydrophobicContact CG-CE3 4.47Å; M842-W845 PolarHBondContact O-N 3.24Å; W845-Q848 PolarHBondContact O-N 2.93Å; W845-M849 WeakPolarHBondContact O-CG 3.33Å; W845-M849 PolarHBondContact O-N 2.79Å; W845-F923 HydrophobicContact CB-CD1 3.82Å; W845-F923 HydrophobicContact CB-CD2 4.07Å; W845-F923 HydrophobicContact CB-CE1 3.74Å; W845-F923 HydrophobicContact CB-CE2 3.99Å; W845-F923 HydrophobicContact CB-CG 3.98Å; W845-F923 HydrophobicContact CB-CZ 3.83Å; W845-F923 HydrophobicContact CD2-CB 4.49Å; W845-F923 HydrophobicContact CD2-CD2 4.18Å; W845-F923 HydrophobicContact CD2-CG 4.34Å; W845-F923 HydrophobicContact CE3-CB 4.48Å; W845-F923 AromaticContact CE3-CD2 3.6Å; W845-F923 HydrophobicContact CE3-CD2 3.6Å; W845-F923 HydrophobicContact CE3-CE2 4.05Å; W845-F923 HydrophobicContact CE3-CG 4.19Å; W845-F923 HydrophobicContact CG-CD2 4.43Å; W845-F923 HydrophobicContact CG-CG 4.32Å; W845-F923 HydrophobicContact CZ3-CD2 4.33Å
846C97.8Very high95.2Very high4 Ų459.3 Ų59.33%0.02729%0.289CS..Hα-helixtrans-57.6-57.2173.6-72.10000111.2M842 G844 Q848 M849 E850 V870 A873M842-C846 PolarHBondContact O-N 2.94Å; M842-C846 PolarHBondContact O-SG 3.19Å; G844-C846 PolarHBondContact O-N 3.11Å; C846-Q848 VanDerWaalsContact C-N 3.29Å; C846-Q848 PolarHBondContact O-N 3.4Å; C846-M849 PolarHBondContact O-N 2.82Å; C846-M849 VanDerWaalsContact O-N 3.15Å; C846-E850 WeakPolarHBondContact O-CB 3.34Å; C846-E850 WeakPolarHBondContact O-CG 3.42Å; C846-E850 PolarHBondContact O-N 3.4Å; C846-V870 HydrophobicContact CB-CG1 4.12Å; C846-A873 VanDerWaalsContact SG-CB 3.56Å
847R97.3Very high94.6Very high151 Ų15166.1 Ų66.157%0.5732%0.321SS*.Hα-helixtrans-58.3-39.7-179.5-75174.1-73161.3-7.8112.5E843 G844 Q851E843-R847 WeakPolarHBondContact O-CB 3.47Å; E843-R847 WeakPolarHBondContact O-CG 3.39Å; E843-R847 PolarHBondContact O-N 2.85Å; E843-R847 PolarHBondContact O-NE 2.84Å; G844-R847 PolarHBondContact O-N 3.37Å; R847-Q851 VanDerWaalsContact O-CB 3.23Å; R847-Q851 WeakPolarHBondContact O-CB 3.47Å; R847-Q851 PolarHBondContact O-N 3.38Å
848Q96.1Very high94.2Very high79 Ų7964.8 Ų64.837%0.36931%0.307SS..Hα-helixtrans-65.2-42.7178-178.956.584.600112.1G844 W845 C846 D852 K930G844-Q848 WeakPolarHBondContact O-CB 3.38Å; G844-Q848 PolarHBondContact O-N 2.82Å; W845-Q848 PolarHBondContact O-N 2.93Å; C846-Q848 VanDerWaalsContact C-N 3.29Å; C846-Q848 PolarHBondContact O-N 3.4Å; Q848-D852 PolarHBondContact NE2-OD1 3Å; Q848-D852 PolarHBondContact NE2-OD2 3.37Å; Q848-D852 WeakPolarHBondContact O-CB 3.27Å; Q848-D852 PolarHBondContact O-N 2.86Å; Q848-K930 VanDerWaalsContact NE2-NZ 3.15Å
849M95.6Very high93.8Very high0 Ų067 Ų670%032%0.323CS..Hα-helixtrans-74.8-33.3178-65.5-63.1100.900112.9W845 C846 D852 E853 I866 V870 F923 L926W845-M849 WeakPolarHBondContact O-CG 3.33Å; W845-M849 PolarHBondContact O-N 2.79Å; C846-M849 PolarHBondContact O-N 2.82Å; C846-M849 VanDerWaalsContact O-N 3.15Å; M849-D852 WeakPolarHBondContact CE-OD2 3.32Å; M849-D852 PolarHBondContact O-N 2.65Å; M849-E853 PolarHBondContact O-N 2.76Å; M849-I866 HydrophobicContact CB-CG2 4.02Å; M849-V870 HydrophobicContact CB-CG2 3.9Å; M849-F923 HydrophobicContact CB-CE1 4.3Å; M849-F923 HydrophobicContact CG-CD1 3.62Å; M849-F923 HydrophobicContact CG-CE1 3.61Å; M849-L926 HydrophobicContact CG-CD1 4.08Å; M849-L926 HydrophobicContact SD-CB 3.58Å; M849-L926 VanDerWaalsContact SD-CB 3.58Å; M849-L926 HydrophobicContact SD-CD1 3.94Å; M849-L926 HydrophobicContact SD-CG 4.32Å
850E95.2Very high93.5Very high77 Ų7773.2 Ų73.236%0.3636%0.356SS..Hα-helixtrans-66.3-42173-72.3170.5147.400111C846 E853 V854 V870 Q874C846-E850 WeakPolarHBondContact O-CB 3.34Å; C846-E850 WeakPolarHBondContact O-CG 3.42Å; C846-E850 PolarHBondContact O-N 3.4Å; E850-E853 PolarHBondContact O-N 3.29Å; E850-V854 WeakPolarHBondContact O-CG2 3.32Å; E850-V854 PolarHBondContact O-N 3.23Å; E850-V870 HydrophobicContact CG-CG1 3.92Å; E850-V870 HydrophobicContact CG-CG2 4.39Å; E850-V870 WeakPolarHBondContact OE1-CG1 3.48Å; E850-Q874 PolarHBondContact OE1-NE2 3.02Å
851Q94.7Very high93.2Very high93 Ų9373.3 Ų73.344%0.43536%0.356SS..Hα-helixtrans-64.2-41.8172.7-172.26716.300111.3R847 E853 V854 E855R847-Q851 VanDerWaalsContact O-CB 3.23Å; R847-Q851 WeakPolarHBondContact O-CB 3.47Å; R847-Q851 PolarHBondContact O-N 3.38Å; Q851-E853 VanDerWaalsContact C-N 3.3Å; Q851-E853 PolarHBondContact O-N 3.43Å; Q851-V854 PolarHBondContact O-N 2.83Å; Q851-V854 VanDerWaalsContact O-N 3.07Å; Q851-E855 HydrophobicContact CG-CG 4.19Å; Q851-E855 WeakPolarHBondContact CG-OE1 3.28Å; Q851-E855 PolarHBondContact NE2-OE1 2.82Å; Q851-E855 WeakPolarHBondContact O-CB 3.48Å; Q851-E855 WeakPolarHBondContact O-CG 3.39Å; Q851-E855 PolarHBondContact O-N 3.07Å
852D92.2Very high92.9Very high3 Ų368.8 Ų68.82%0.01634%0.339CS..Hα-helixtrans-61.8-35.5175.4-78.8-40.1000112.9Q848 M849 V854 N856 K930 W934Q848-D852 PolarHBondContact NE2-OD1 3Å; Q848-D852 PolarHBondContact NE2-OD2 3.37Å; Q848-D852 WeakPolarHBondContact O-CB 3.27Å; Q848-D852 PolarHBondContact O-N 2.86Å; M849-D852 WeakPolarHBondContact CE-OD2 3.32Å; M849-D852 PolarHBondContact O-N 2.65Å; D852-V854 VanDerWaalsContact C-N 3.3Å; D852-N856 WeakPolarHBondContact O-CB 3.4Å; D852-N856 PolarHBondContact O-N 3.13Å; D852-N856 PolarHBondContact O-ND2 3.26Å; D852-K930 WeakPolarHBondContact OD1-CE 3.4Å; D852-K930 IonicContact OD1-NZ 2.72Å; D852-K930 PolarHBondContact OD1-NZ 3.42Å; D852-K930 WeakPolarHBondContact OD2-CD 3.38Å; D852-K930 WeakPolarHBondContact OD2-CE 3.37Å; D852-K930 IonicContact OD2-NZ 2.66Å; D852-K930 PolarHBondContact OD2-NZ 3.27Å; D852-W934 HydrophobicContact CB-CH2 3.64Å; D852-W934 HydrophobicContact CB-CZ2 3.54Å; D852-W934 VanDerWaalsContact CG-CZ2 3.47Å
853E91.3Very high92.7Very high46 Ų4669.9 Ų69.922%0.21535%0.345CS..Hα-helixtrans-67.2-26.5173161.8164.7177.900113.1M849 E850 Q851 L858 L863 I866 R867M849-E853 PolarHBondContact O-N 2.76Å; E850-E853 PolarHBondContact O-N 3.29Å; Q851-E853 VanDerWaalsContact C-N 3.3Å; Q851-E853 PolarHBondContact O-N 3.43Å; E853-L858 HydrophobicContact CB-CD1 4.47Å; E853-L863 HydrophobicContact CB-CD2 4.1Å; E853-L863 HydrophobicContact CG-CD2 3.54Å; E853-I866 HydrophobicContact CB-CD1 4.27Å; E853-I866 HydrophobicContact CB-CG2 4.3Å; E853-I866 WeakPolarHBondContact OE2-CG2 3.21Å; E853-R867 IonicContact OE1-CZ 3.56Å; E853-R867 IonicContact OE1-NE 2.65Å; E853-R867 PolarHBondContact OE1-NE 3.01Å; E853-R867 IonicContact OE1-NH2 2.87Å; E853-R867 PolarHBondContact OE1-NH2 3.42Å; E853-R867 WeakPolarHBondContact OE2-CG 3.37Å; E853-R867 IonicContact OE2-NE 3.11Å
854V90.3Very high92.6Very high117 Ų11767.8 Ų67.871%0.70935%0.347SS*.Hα-helixtrans-90.3-35.5177.5175.40000112.5E850 Q851 D852E850-V854 WeakPolarHBondContact O-CG2 3.32Å; E850-V854 PolarHBondContact O-N 3.23Å; Q851-V854 PolarHBondContact O-N 2.83Å; Q851-V854 VanDerWaalsContact O-N 3.07Å; D852-V854 VanDerWaalsContact C-N 3.3Å
855E88.9Confident92.5Very high128 Ų12869.4 Ų69.460%0.59835%0.347SS*.Hα-helixtrans-79.9-22-178.2-73.6-176.2-179.300114.2Q851Q851-E855 HydrophobicContact CG-CG 4.19Å; Q851-E855 WeakPolarHBondContact CG-OE1 3.28Å; Q851-E855 PolarHBondContact NE2-OE1 2.82Å; Q851-E855 WeakPolarHBondContact O-CB 3.48Å; Q851-E855 WeakPolarHBondContact O-CG 3.39Å; Q851-E855 PolarHBondContact O-N 3.07Å
856N84.5Confident92.4Very high55 Ų5567.2 Ų67.229%0.29434%0.339SS..SBendtrans-121.5137.3-173.4-56.9-102.2000111.1D852 L858 W934D852-N856 WeakPolarHBondContact O-CB 3.4Å; D852-N856 PolarHBondContact O-N 3.13Å; D852-N856 PolarHBondContact O-ND2 3.26Å; N856-L858 VanDerWaalsContact C-N 3.26Å; N856-L858 HydrophobicContact CB-CD2 3.46Å; N856-L858 VanDerWaalsContact CB-CD2 3.46Å; N856-L858 HydrophobicContact CB-CG 3.82Å; N856-L858 PolarHBondContact O-N 3Å; N856-W934 VanDerWaalsContact CG-NE1 3.28Å; N856-W934 PolarHBondContact OD1-NE1 3.21Å
857E85.9Confident92.3Very high209 Ų20974.1 Ų74.198%0.97736%0.364SS*.  trans-73.981.2167.1-67.8-172.1161.500110.1
858L88.9Confident92.3Very high17 Ų1770.1 Ų70.19%0.08936%0.36CS..  trans-80.6145.5-175-60.6-175.5000112.9E853 N856 V862 L863 I866 W934E853-L858 HydrophobicContact CB-CD1 4.47Å; N856-L858 VanDerWaalsContact C-N 3.26Å; N856-L858 HydrophobicContact CB-CD2 3.46Å; N856-L858 VanDerWaalsContact CB-CD2 3.46Å; N856-L858 HydrophobicContact CB-CG 3.82Å; N856-L858 PolarHBondContact O-N 3Å; L858-V862 HydrophobicContact CB-CB 4.46Å; L858-V862 HydrophobicContact CD1-CG1 4.13Å; L858-L863 HydrophobicContact CB-CD2 3.8Å; L858-L863 HydrophobicContact CB-CG 3.85Å; L858-L863 HydrophobicContact CD1-CD2 4.11Å; L858-L863 HydrophobicContact CG-CD2 4.42Å; L858-L863 WeakPolarHBondContact O-CD1 3.48Å; L858-I866 HydrophobicContact CD1-CD1 3.31Å; L858-W934 HydrophobicContact CD2-CB 3.58Å; L858-W934 VanDerWaalsContact CD2-CD1 3.44Å; L858-W934 HydrophobicContact CD2-CD2 3.41Å; L858-W934 VanDerWaalsContact CD2-CD2 3.41Å; L858-W934 HydrophobicContact CD2-CE3 4.02Å; L858-W934 HydrophobicContact CD2-CG 3.19Å
859P88.8Confident92.4Very high62 Ų6266.3 Ų66.340%0.40334%0.342SS..  trans-62.5147.2170.5-20.432000112.5E861 V862 L863P859-E861 PolarHBondContact O-N 3.28Å; P859-V862 HydrophobicContact CB-CG2 4.34Å; P859-V862 HydrophobicContact CG-CG2 4.26Å; P859-V862 WeakPolarHBondContact O-CA 3.4Å; P859-V862 WeakPolarHBondContact O-CB 3.49Å; P859-V862 PolarHBondContact O-N 3.36Å; P859-L863 PolarHBondContact O-N 2.95Å
860D90.4Very high92.5Very high142 Ų14266.6 Ų66.676%0.75934%0.344SS*.Hα-helixtrans-51-33.8178.8-73.4-37.1000114.3G864D860-G864 PolarHBondContact O-N 2.81Å
861E91Very high92.7Very high105 Ų10564.6 Ų64.649%0.49134%0.344SS..Hα-helixtrans-64.8-40.8175.6-165.5-160.2138.400111.7P859 G864 K865P859-E861 PolarHBondContact O-N 3.28Å; E861-G864 PolarHBondContact O-N 3.38Å; E861-K865 WeakPolarHBondContact O-CG 3.44Å; E861-K865 PolarHBondContact O-N 3.14Å; E861-K865 VanDerWaalsContact OE1-CE 3.23Å; E861-K865 WeakPolarHBondContact OE1-CE 3.31Å; E861-K865 IonicContact OE1-NZ 2.71Å; E861-K865 PolarHBondContact OE1-NZ 3.38Å
862V92.6Very high92.8Very high1 Ų161.5 Ų61.51%0.00633%0.333CS..Hα-helixtrans-73.8-43-180-175.80000110.1L858 P859 G864 K865 I866 W934L858-V862 HydrophobicContact CB-CB 4.46Å; L858-V862 HydrophobicContact CD1-CG1 4.13Å; P859-V862 HydrophobicContact CB-CG2 4.34Å; P859-V862 HydrophobicContact CG-CG2 4.26Å; P859-V862 WeakPolarHBondContact O-CA 3.4Å; P859-V862 WeakPolarHBondContact O-CB 3.49Å; P859-V862 PolarHBondContact O-N 3.36Å; V862-G864 VanDerWaalsContact C-N 3.29Å; V862-G864 PolarHBondContact O-N 3.11Å; V862-K865 PolarHBondContact O-N 3.05Å; V862-K865 VanDerWaalsContact O-N 3.08Å; V862-I866 HydrophobicContact CG1-CD1 4.26Å; V862-I866 WeakPolarHBondContact O-CG1 3.08Å; V862-I866 PolarHBondContact O-N 3.45Å; V862-W934 HydrophobicContact CG1-CE3 3.8Å; V862-W934 HydrophobicContact CG1-CZ3 4.26Å
863L93.3Very high93.1Very high23 Ų2361.4 Ų61.412%0.1233%0.332CS..Hα-helixtrans-57.2-42.8170.9-67.2173.8000111.4E853 L858 P859 K865 I866 R867E853-L863 HydrophobicContact CB-CD2 4.1Å; E853-L863 HydrophobicContact CG-CD2 3.54Å; L858-L863 HydrophobicContact CB-CD2 3.8Å; L858-L863 HydrophobicContact CB-CG 3.85Å; L858-L863 HydrophobicContact CD1-CD2 4.11Å; L858-L863 HydrophobicContact CG-CD2 4.42Å; L858-L863 WeakPolarHBondContact O-CD1 3.48Å; P859-L863 PolarHBondContact O-N 2.95Å; L863-K865 VanDerWaalsContact C-N 3.33Å; L863-K865 PolarHBondContact O-N 3.38Å; L863-I866 PolarHBondContact O-N 2.73Å; L863-R867 WeakPolarHBondContact O-CB 3.38Å; L863-R867 VanDerWaalsContact O-CG 3.27Å; L863-R867 WeakPolarHBondContact O-CG 3.25Å; L863-R867 PolarHBondContact O-N 2.89Å
864G94.8Very high93.4Very high42 Ų4263.1 Ų63.143%0.43334%0.34SS..Hα-helixtrans-60.4-39.1173.900000113.1D860 E861 V862 S868D860-G864 PolarHBondContact O-N 2.81Å; E861-G864 PolarHBondContact O-N 3.38Å; V862-G864 VanDerWaalsContact C-N 3.29Å; V862-G864 PolarHBondContact O-N 3.11Å; G864-S868 WeakPolarHBondContact O-CB 3.33Å; G864-S868 PolarHBondContact O-N 3.11Å
865K95.3Very high93.8Very high56 Ų5662 Ų6224%0.24333%0.33CS..Hα-helixtrans-70.4-43.6175.2-72.1173.9-177.6-176.10112.4E861 V862 L863 S868 A869 E925 L926 L929E861-K865 WeakPolarHBondContact O-CG 3.44Å; E861-K865 PolarHBondContact O-N 3.14Å; E861-K865 VanDerWaalsContact OE1-CE 3.23Å; E861-K865 WeakPolarHBondContact OE1-CE 3.31Å; E861-K865 IonicContact OE1-NZ 2.71Å; E861-K865 PolarHBondContact OE1-NZ 3.38Å; V862-K865 PolarHBondContact O-N 3.05Å; V862-K865 VanDerWaalsContact O-N 3.08Å; L863-K865 VanDerWaalsContact C-N 3.33Å; L863-K865 PolarHBondContact O-N 3.38Å; K865-S868 PolarHBondContact O-N 3.11Å; K865-A869 WeakPolarHBondContact O-CB 3.39Å; K865-A869 PolarHBondContact O-N 2.87Å; K865-E925 WeakPolarHBondContact CD-OE1 3.37Å; K865-E925 VanDerWaalsContact CE-OE1 3.31Å; K865-E925 WeakPolarHBondContact CE-OE1 3.4Å; K865-E925 IonicContact NZ-OE1 3.36Å; K865-E925 PolarHBondContact NZ-OE1 3.17Å; K865-L926 HydrophobicContact CB-CD2 3.74Å; K865-L929 HydrophobicContact CD-CD1 3.99Å
866I96.1Very high94.2Very high1 Ų156.8 Ų56.81%0.00531%0.306CS..Hα-helixtrans-57.6-58.3175.4-72.5172.8000109.9M849 E853 L858 V862 L863 S868 A869 V870 L926 W934M849-I866 HydrophobicContact CB-CG2 4.02Å; E853-I866 HydrophobicContact CB-CD1 4.27Å; E853-I866 HydrophobicContact CB-CG2 4.3Å; E853-I866 WeakPolarHBondContact OE2-CG2 3.21Å; L858-I866 HydrophobicContact CD1-CD1 3.31Å; V862-I866 HydrophobicContact CG1-CD1 4.26Å; V862-I866 WeakPolarHBondContact O-CG1 3.08Å; V862-I866 PolarHBondContact O-N 3.45Å; L863-I866 PolarHBondContact O-N 2.73Å; I866-S868 PolarHBondContact O-N 2.85Å; I866-A869 PolarHBondContact O-N 2.85Å; I866-V870 HydrophobicContact CG2-CG2 4.09Å; I866-V870 WeakPolarHBondContact O-CB 3.41Å; I866-V870 WeakPolarHBondContact O-CG2 3.24Å; I866-V870 PolarHBondContact O-N 3Å; I866-L926 HydrophobicContact CG1-CD1 4.04Å; I866-L926 HydrophobicContact CG1-CD2 3.64Å; I866-L926 HydrophobicContact CG1-CG 4.45Å; I866-W934 HydrophobicContact CD1-CZ3 4.43Å
867R96.1Very high94.8Very high149 Ų14955.2 Ų55.256%0.56230%0.297SS*.Hα-helixtrans-59.7-32.3-179.8-64.1169.7-175.7170.61.5112.4E853 L863 G871E853-R867 IonicContact OE1-CZ 3.56Å; E853-R867 IonicContact OE1-NE 2.65Å; E853-R867 PolarHBondContact OE1-NE 3.01Å; E853-R867 IonicContact OE1-NH2 2.87Å; E853-R867 PolarHBondContact OE1-NH2 3.42Å; E853-R867 WeakPolarHBondContact OE2-CG 3.37Å; E853-R867 IonicContact OE2-NE 3.11Å; L863-R867 WeakPolarHBondContact O-CB 3.38Å; L863-R867 VanDerWaalsContact O-CG 3.27Å; L863-R867 WeakPolarHBondContact O-CG 3.25Å; L863-R867 PolarHBondContact O-N 2.89Å; R867-G871 WeakPolarHBondContact O-CA 3.4Å; R867-G871 PolarHBondContact O-N 2.68Å
868S97.4Very high95.4Very high67 Ų6749.1 Ų49.147%0.46928%0.278SS..Hα-helixtrans-73.9-33.7174.3179.60000114G864 K865 I866 S872 K922G864-S868 WeakPolarHBondContact O-CB 3.33Å; G864-S868 PolarHBondContact O-N 3.11Å; K865-S868 PolarHBondContact O-N 3.11Å; I866-S868 PolarHBondContact O-N 2.85Å; S868-S872 VanDerWaalsContact O-CB 3.31Å; S868-S872 WeakPolarHBondContact O-CB 3.5Å; S868-S872 PolarHBondContact O-N 2.96Å; S868-S872 PolarHBondContact O-OG 3.31Å; S868-K922 PolarHBondContact O-NZ 3.17Å
869A97.8Very high95.7Very high0 Ų053.2 Ų53.20%030%0.296CS..Hα-helixtrans-73.4-59.8174.200000110.4K865 I866 G871 S872 A873 K922 F923 L926K865-A869 WeakPolarHBondContact O-CB 3.39Å; K865-A869 PolarHBondContact O-N 2.87Å; I866-A869 PolarHBondContact O-N 2.85Å; A869-G871 PolarHBondContact O-N 2.86Å; A869-S872 PolarHBondContact O-N 2.92Å; A869-S872 PolarHBondContact O-OG 3.08Å; A869-A873 PolarHBondContact O-N 3.26Å; A869-K922 HydrophobicContact CB-CB 3.84Å; A869-K922 HydrophobicContact CB-CD 4.05Å; A869-F923 HydrophobicContact CB-CD1 4.48Å; A869-F923 HydrophobicContact CB-CE1 4.27Å; A869-F923 HydrophobicContact CB-CZ 4.39Å; A869-L926 HydrophobicContact CB-CD1 3.56Å
870V97.9Very high96.1Very high5 Ų555.1 Ų55.13%0.0330%0.298CS..Hα-helixtrans-56.3-50.1-179.6175.60000111.3C846 M849 E850 I866 S872 A873 Q874 F923C846-V870 HydrophobicContact CB-CG1 4.12Å; M849-V870 HydrophobicContact CB-CG2 3.9Å; E850-V870 HydrophobicContact CG-CG1 3.92Å; E850-V870 HydrophobicContact CG-CG2 4.39Å; E850-V870 WeakPolarHBondContact OE1-CG1 3.48Å; I866-V870 HydrophobicContact CG2-CG2 4.09Å; I866-V870 WeakPolarHBondContact O-CB 3.41Å; I866-V870 WeakPolarHBondContact O-CG2 3.24Å; I866-V870 PolarHBondContact O-N 3Å; V870-S872 VanDerWaalsContact C-N 3.26Å; V870-S872 PolarHBondContact O-N 3.08Å; V870-A873 WeakPolarHBondContact O-CB 3.49Å; V870-A873 PolarHBondContact O-N 3.04Å; V870-A873 VanDerWaalsContact O-N 3.08Å; V870-Q874 HydrophobicContact CG1-CG 4.3Å; V870-Q874 VanDerWaalsContact CG1-NE2 3.32Å; V870-Q874 WeakPolarHBondContact O-CB 3.4Å; V870-Q874 WeakPolarHBondContact O-CG 3.41Å; V870-Q874 PolarHBondContact O-N 3.07Å; V870-F923 HydrophobicContact CG2-CE1 4.14Å; V870-F923 HydrophobicContact CG2-CZ 4.36Å
871G97.8Very high96.5Very high36 Ų3648.6 Ų48.637%0.37126%0.263SS..Hα-helixtrans-61.4-32.9177.300000113.1R867 A869 L875R867-G871 WeakPolarHBondContact O-CA 3.4Å; R867-G871 PolarHBondContact O-N 2.68Å; A869-G871 PolarHBondContact O-N 2.86Å; G871-L875 WeakPolarHBondContact O-CB 3.37Å; G871-L875 PolarHBondContact O-N 3.44Å; G871-L875 VanDerWaalsContact O-N 3.09Å
872S97.8Very high96.8Very high28 Ų2847.4 Ų47.420%0.19626%0.257CS..Hα-helixtrans-75.3-32.6174.269.20000113.5S868 A869 V870 L876 I919 K922S868-S872 VanDerWaalsContact O-CB 3.31Å; S868-S872 WeakPolarHBondContact O-CB 3.5Å; S868-S872 PolarHBondContact O-N 2.96Å; S868-S872 PolarHBondContact O-OG 3.31Å; A869-S872 PolarHBondContact O-N 2.92Å; A869-S872 PolarHBondContact O-OG 3.08Å; V870-S872 VanDerWaalsContact C-N 3.26Å; V870-S872 PolarHBondContact O-N 3.08Å; S872-L876 WeakPolarHBondContact O-CB 3.34Å; S872-L876 PolarHBondContact O-N 2.88Å; S872-I919 WeakPolarHBondContact O-CD1 3.41Å; S872-K922 PolarHBondContact OG-NZ 2.91Å
873A98.1Very high97Very high0 Ų051.6 Ų51.60%028%0.277CS..Hα-helixtrans-67.9-52.117500000111.2M842 C846 A869 V870 L875 L876 M877 I919 F923M842-A873 HydrophobicContact CG-CB 3.69Å; M842-A873 HydrophobicContact SD-CB 3.75Å; C846-A873 VanDerWaalsContact SG-CB 3.56Å; A869-A873 PolarHBondContact O-N 3.26Å; V870-A873 WeakPolarHBondContact O-CB 3.49Å; V870-A873 PolarHBondContact O-N 3.04Å; V870-A873 VanDerWaalsContact O-N 3.08Å; A873-L875 VanDerWaalsContact C-N 3.26Å; A873-L875 PolarHBondContact O-N 3.45Å; A873-L876 PolarHBondContact O-N 2.94Å; A873-L876 VanDerWaalsContact O-N 3.08Å; A873-M877 WeakPolarHBondContact O-CG 3.35Å; A873-M877 PolarHBondContact O-N 3.05Å; A873-I919 HydrophobicContact CB-CG2 3.94Å; A873-F923 HydrophobicContact CB-CE2 3.93Å; A873-F923 HydrophobicContact CB-CZ 4.07Å
874Q97.9Very high97.2Very high82 Ų8250.9 Ų50.938%0.38327%0.273SS..Hα-helixtrans-57.2-38.7174.1-69.8170.1-7.700111.7E850 V870 S878E850-Q874 PolarHBondContact OE1-NE2 3.02Å; V870-Q874 HydrophobicContact CG1-CG 4.3Å; V870-Q874 VanDerWaalsContact CG1-NE2 3.32Å; V870-Q874 WeakPolarHBondContact O-CB 3.4Å; V870-Q874 WeakPolarHBondContact O-CG 3.41Å; V870-Q874 PolarHBondContact O-N 3.07Å; Q874-S878 VanDerWaalsContact O-CB 3.27Å; Q874-S878 WeakPolarHBondContact O-CB 3.42Å; Q874-S878 PolarHBondContact O-N 3.22Å; Q874-S878 PolarHBondContact O-OG 3.24Å
875L98Very high97.3Very high95 Ų9551.8 Ų51.850%0.49726%0.263SS..Hα-helixtrans-67.9-39174.5-167.171.3000112.9G871 A873 S878 Q879G871-L875 WeakPolarHBondContact O-CB 3.37Å; G871-L875 PolarHBondContact O-N 3.44Å; G871-L875 VanDerWaalsContact O-N 3.09Å; A873-L875 VanDerWaalsContact C-N 3.26Å; A873-L875 PolarHBondContact O-N 3.45Å; L875-S878 PolarHBondContact O-OG 3.26Å; L875-Q879 HydrophobicContact CD1-CG 4.28Å; L875-Q879 VanDerWaalsContact CD1-NE2 3.29Å; L875-Q879 WeakPolarHBondContact O-CB 3.42Å; L875-Q879 WeakPolarHBondContact O-CG 3.08Å; L875-Q879 PolarHBondContact O-N 3.22Å; L875-Q879 VanDerWaalsContact O-N 3.13Å
876L97.9Very high97.3Very high18 Ų1853.6 Ų53.69%0.09427%0.272CS..Hα-helixtrans-67.2-41.3176.8-168.370.7000111.2M842 S872 A873 K880 F881 L912 I916 I919M842-L876 HydrophobicContact CE-CD2 4.23Å; S872-L876 WeakPolarHBondContact O-CB 3.34Å; S872-L876 PolarHBondContact O-N 2.88Å; A873-L876 PolarHBondContact O-N 2.94Å; A873-L876 VanDerWaalsContact O-N 3.08Å; L876-K880 HydrophobicContact CD1-CB 3.68Å; L876-K880 HydrophobicContact CD1-CG 3.75Å; L876-K880 HydrophobicContact CG-CB 4.26Å; L876-K880 CarbonylContact O-C 3.57Å; L876-K880 WeakPolarHBondContact O-CA 3.27Å; L876-K880 WeakPolarHBondContact O-CB 3.47Å; L876-K880 PolarHBondContact O-N 3.28Å; L876-F881 HydrophobicContact CD2-CE1 3.86Å; L876-F881 HydrophobicContact CG-CD1 4.23Å; L876-F881 HydrophobicContact CG-CE1 3.94Å; L876-F881 PolarHBondContact O-N 3.28Å; L876-L912 HydrophobicContact CD1-CD1 4.17Å; L876-L912 HydrophobicContact CD2-CD1 4.5Å; L876-L912 HydrophobicContact CG-CD1 4.36Å; L876-I916 HydrophobicContact CD2-CG1 4.01Å; L876-I919 HydrophobicContact CB-CD1 3.86Å; L876-I919 HydrophobicContact CD2-CD1 3.73Å; L876-I919 HydrophobicContact CG-CD1 4.35Å
877M98Very high97.3Very high21 Ų2155.3 Ų55.310%0.10328%0.281CS..Iπ-helixtrans-68-53.6177.8-63.5-174.2-6500111.3T839 M842 E843 A873 Q879 F881 Q882T839-M877 HydrophobicContact CG2-SD 4.04Å; M842-M877 HydrophobicContact CB-SD 3.95Å; M842-M877 HydrophobicContact CE-CG 3.91Å; M842-M877 HydrophobicContact CE-SD 4.21Å; M842-M877 HydrophobicContact CG-CE 4.21Å; M842-M877 HydrophobicContact CG-SD 3.98Å; E843-M877 HydrophobicContact CG-CE 3.77Å; E843-M877 HydrophobicContact CG-SD 3.84Å; A873-M877 WeakPolarHBondContact O-CG 3.35Å; A873-M877 PolarHBondContact O-N 3.05Å; M877-Q879 VanDerWaalsContact C-N 3.25Å; M877-Q879 PolarHBondContact O-N 3.15Å; M877-F881 HydrophobicContact CB-CD2 4.28Å; M877-F881 HydrophobicContact CB-CG 4.37Å; M877-F881 HydrophobicContact CG-CD2 3.76Å; M877-F881 HydrophobicContact CG-CE2 3.9Å; M877-F881 HydrophobicContact CG-CG 4.18Å; M877-F881 HydrophobicContact CG-CZ 4.41Å; M877-F881 WeakPolarHBondContact O-CB 3.24Å; M877-F881 PolarHBondContact O-N 3.41Å; M877-Q882 PolarHBondContact O-N 3.46Å
878S97Very high97.3Very high82 Ų8248.2 Ų48.257%0.57326%0.255SS*.Iπ-helixtrans-63.7-22.7-178.858.60000115Q874 L875Q874-S878 VanDerWaalsContact O-CB 3.27Å; Q874-S878 WeakPolarHBondContact O-CB 3.42Å; Q874-S878 PolarHBondContact O-N 3.22Å; Q874-S878 PolarHBondContact O-OG 3.24Å; L875-S878 PolarHBondContact O-OG 3.26Å
879Q96.4Very high97.1Very high103 Ų10350 Ų5048%0.48126%0.255SS..Iπ-helixtrans-110.6-53.3179.1-59.4-168.43.900114L875 M877 Q883L875-Q879 HydrophobicContact CD1-CG 4.28Å; L875-Q879 VanDerWaalsContact CD1-NE2 3.29Å; L875-Q879 WeakPolarHBondContact O-CB 3.42Å; L875-Q879 WeakPolarHBondContact O-CG 3.08Å; L875-Q879 PolarHBondContact O-N 3.22Å; L875-Q879 VanDerWaalsContact O-N 3.13Å; M877-Q879 VanDerWaalsContact C-N 3.25Å; M877-Q879 PolarHBondContact O-N 3.15Å; Q879-Q883 WeakPolarHBondContact O-CB 3.39Å; Q879-Q883 WeakPolarHBondContact O-CG 3.29Å; Q879-Q883 PolarHBondContact O-N 2.88Å; Q879-Q883 VanDerWaalsContact O-N 3.17Å
880K96.8Very high97Very high102 Ų10254.3 Ų54.344%0.44328%0.276SS..Iπ-helixtrans-88.6-35-171.6-70.3-53.4-167.1178.50113.6L876 F884 L912L876-K880 HydrophobicContact CD1-CB 3.68Å; L876-K880 HydrophobicContact CD1-CG 3.75Å; L876-K880 HydrophobicContact CG-CB 4.26Å; L876-K880 CarbonylContact O-C 3.57Å; L876-K880 WeakPolarHBondContact O-CA 3.27Å; L876-K880 WeakPolarHBondContact O-CB 3.47Å; L876-K880 PolarHBondContact O-N 3.28Å; K880-F884 WeakPolarHBondContact O-CB 3.36Å; K880-F884 PolarHBondContact O-N 3.14Å; K880-L912 HydrophobicContact CB-CD1 3.63Å
881F97.9Very high96.8Very high4 Ų454.4 Ų54.42%0.01828%0.276CS..Iπ-helixtrans-70.3-40.5174.7-7022.5000109.2L835 E838 T839 M842 L876 M877 F884 R885 L912 I916L835-F881 HydrophobicContact CD1-CB 3.73Å; L835-F881 HydrophobicContact CD1-CD1 4.04Å; L835-F881 HydrophobicContact CD1-CD2 3.61Å; L835-F881 HydrophobicContact CD1-CE2 4.13Å; L835-F881 HydrophobicContact CD1-CG 3.53Å; L835-F881 HydrophobicContact CD2-CB 4.46Å; L835-F881 WeakPolarHBondContact CD2-O 3.37Å; L835-F881 HydrophobicContact CG-CB 4.38Å; L835-F881 HydrophobicContact CG-CD2 4.34Å; L835-F881 HydrophobicContact CG-CG 4.5Å; E838-F881 HydrophobicContact CB-CE2 4.29Å; E838-F881 HydrophobicContact CB-CZ 4.48Å; E838-F881 HydrophobicContact CG-CE2 3.98Å; E838-F881 HydrophobicContact CG-CZ 3.73Å; T839-F881 HydrophobicContact CG2-CD2 4.5Å; T839-F881 WeakPolarHBondContact OG1-CD2 3.39Å; M842-F881 HydrophobicContact CE-CE1 3.95Å; M842-F881 HydrophobicContact CE-CE2 3.74Å; M842-F881 HydrophobicContact CE-CZ 3.23Å; L876-F881 HydrophobicContact CD2-CE1 3.86Å; L876-F881 HydrophobicContact CG-CD1 4.23Å; L876-F881 HydrophobicContact CG-CE1 3.94Å; L876-F881 PolarHBondContact O-N 3.28Å; M877-F881 HydrophobicContact CB-CD2 4.28Å; M877-F881 HydrophobicContact CB-CG 4.37Å; M877-F881 HydrophobicContact CG-CD2 3.76Å; M877-F881 HydrophobicContact CG-CE2 3.9Å; M877-F881 HydrophobicContact CG-CG 4.18Å; M877-F881 HydrophobicContact CG-CZ 4.41Å; M877-F881 WeakPolarHBondContact O-CB 3.24Å; M877-F881 PolarHBondContact O-N 3.41Å; F881-F884 PolarHBondContact O-N 2.82Å; F881-R885 WeakPolarHBondContact O-CB 3.45Å; F881-R885 PolarHBondContact O-N 3.39Å; F881-L912 HydrophobicContact CD1-CD1 3.86Å; F881-L912 HydrophobicContact CD1-CD2 3.85Å; F881-L912 HydrophobicContact CD1-CG 4.19Å; F881-L912 HydrophobicContact CE1-CD1 3.81Å; F881-L912 HydrophobicContact CE1-CD2 3.93Å; F881-L912 HydrophobicContact CE1-CG 3.93Å; F881-I916 HydrophobicContact CE1-CD1 3.99Å; F881-I916 HydrophobicContact CE1-CG1 3.94Å; F881-I916 HydrophobicContact CZ-CD1 3.86Å; F881-I916 HydrophobicContact CZ-CG1 3.84Å
882Q97.3Very high96.5Very high80 Ų8055 Ų5537%0.37427%0.271SS..Hα-helixtrans-61.1-47.1173.7-173.654.830.500113M877 F884 R885 E886M877-Q882 PolarHBondContact O-N 3.46Å; Q882-F884 VanDerWaalsContact C-N 3.27Å; Q882-F884 PolarHBondContact O-N 3.21Å; Q882-R885 WeakPolarHBondContact O-CB 3.37Å; Q882-R885 PolarHBondContact O-N 3.42Å; Q882-E886 WeakPolarHBondContact CG-OE1 3.46Å; Q882-E886 PolarHBondContact NE2-OE1 3.41Å; Q882-E886 WeakPolarHBondContact O-CG 3.27Å; Q882-E886 PolarHBondContact O-N 3.08Å
883Q96.5Very high96.2Very high90 Ų9056.9 Ų56.942%0.42128%0.279SS..Hα-helixtrans-58.5-37.2173.4-79.1169.310.600112.8Q879 L887Q879-Q883 WeakPolarHBondContact O-CB 3.39Å; Q879-Q883 WeakPolarHBondContact O-CG 3.29Å; Q879-Q883 PolarHBondContact O-N 2.88Å; Q879-Q883 VanDerWaalsContact O-N 3.17Å; Q883-L887 WeakPolarHBondContact O-CG 3.32Å; Q883-L887 PolarHBondContact O-N 2.83Å
884F97.6Very high95.6Very high7 Ų761.2 Ų61.23%0.03131%0.307CS..Hα-helixtrans-76-35.4178.6-171.8-110.9000112.8F831 L835 K880 F881 Q882 L887 C888 L905 F908 W909 L912F831-F884 HydrophobicContact CB-CE1 3.84Å; F831-F884 HydrophobicContact CB-CZ 3.84Å; F831-F884 HydrophobicContact CD1-CE1 4.07Å; F831-F884 AromaticContact CD1-CZ 3.61Å; F831-F884 HydrophobicContact CD1-CZ 3.61Å; F831-F884 HydrophobicContact CE1-CZ 4.33Å; F831-F884 HydrophobicContact CG-CE1 4.28Å; F831-F884 AromaticContact CG-CZ 3.84Å; F831-F884 HydrophobicContact CG-CZ 3.84Å; L835-F884 HydrophobicContact CB-CD1 4.4Å; L835-F884 HydrophobicContact CD1-CD1 3.98Å; L835-F884 HydrophobicContact CD2-CD1 4.08Å; L835-F884 HydrophobicContact CG-CD1 4.38Å; K880-F884 WeakPolarHBondContact O-CB 3.36Å; K880-F884 PolarHBondContact O-N 3.14Å; F881-F884 PolarHBondContact O-N 2.82Å; Q882-F884 VanDerWaalsContact C-N 3.27Å; Q882-F884 PolarHBondContact O-N 3.21Å; F884-L887 PolarHBondContact O-N 3.31Å; F884-C888 PolarHBondContact O-N 3.31Å; F884-C888 PolarHBondContact O-SG 3.42Å; F884-L905 HydrophobicContact CE2-CB 4.32Å; F884-L905 HydrophobicContact CE2-CD2 4.19Å; F884-L905 WeakPolarHBondContact CE2-O 3.41Å; F884-L905 HydrophobicContact CZ-CB 4.42Å; F884-F908 HydrophobicContact CD2-CB 3.79Å; F884-F908 HydrophobicContact CE2-CB 3.76Å; F884-W909 HydrophobicContact CD1-CE3 4.05Å; F884-W909 HydrophobicContact CD1-CZ3 4.43Å; F884-W909 HydrophobicContact CE1-CD2 4.47Å; F884-W909 AromaticContact CE1-CE3 3.49Å; F884-W909 HydrophobicContact CE1-CE3 3.49Å; F884-W909 VanDerWaalsContact CE1-CE3 3.49Å; F884-W909 HydrophobicContact CE1-CZ3 4.14Å; F884-W909 HydrophobicContact CE2-CB 4.27Å; F884-W909 HydrophobicContact CZ-CB 3.88Å; F884-W909 AromaticContact CZ-CE3 3.98Å; F884-W909 HydrophobicContact CZ-CE3 3.98Å; F884-L912 HydrophobicContact CB-CD2 4.1Å; F884-L912 HydrophobicContact CD1-CD2 4.18Å; F884-L912 HydrophobicContact CG-CD2 4.15Å
885R96.9Very high95.3Very high62 Ų6263.3 Ų63.323%0.23432%0.321CS..Hα-helixtrans-57.9-49.6172.2-172.3-179-65.3-85.24.2110.4L832 L835 F881 Q882 L887 C888 E889L832-R885 HydrophobicContact CD2-CB 4.3Å; L832-R885 HydrophobicContact CD2-CG 3.64Å; L835-R885 HydrophobicContact CD2-CB 3.82Å; F881-R885 WeakPolarHBondContact O-CB 3.45Å; F881-R885 PolarHBondContact O-N 3.39Å; Q882-R885 WeakPolarHBondContact O-CB 3.37Å; Q882-R885 PolarHBondContact O-N 3.42Å; R885-L887 PolarHBondContact O-N 3.47Å; R885-C888 WeakPolarHBondContact O-CB 3.45Å; R885-C888 PolarHBondContact O-N 2.79Å; R885-C888 VanDerWaalsContact O-N 3.16Å; R885-E889 WeakPolarHBondContact CG-OE1 3.49Å; R885-E889 WeakPolarHBondContact O-CG 3.34Å; R885-E889 PolarHBondContact O-N 2.91Å
886E96.1Very high94.7Very high93 Ų9359.3 Ų59.344%0.43530%0.301SS..Hα-helixtrans-58.1-48.2175.9-72.8162.7-166.900112Q882 C888 E889 E890Q882-E886 WeakPolarHBondContact CG-OE1 3.46Å; Q882-E886 PolarHBondContact NE2-OE1 3.41Å; Q882-E886 WeakPolarHBondContact O-CG 3.27Å; Q882-E886 PolarHBondContact O-N 3.08Å; E886-C888 VanDerWaalsContact C-N 3.29Å; E886-C888 PolarHBondContact O-N 2.97Å; E886-E889 PolarHBondContact O-N 2.95Å; E886-E889 VanDerWaalsContact O-N 3.17Å; E886-E890 WeakPolarHBondContact O-CG 3.08Å; E886-E890 PolarHBondContact O-N 3.28Å
887L95.6Very high93.6Very high37 Ų3766.6 Ų66.619%0.19433%0.334CS..Hα-helixtrans-61-35.7175.7-72.6167.8000113Q883 F884 R885 N891 P900 L905 F908Q883-L887 WeakPolarHBondContact O-CG 3.32Å; Q883-L887 PolarHBondContact O-N 2.83Å; F884-L887 PolarHBondContact O-N 3.31Å; R885-L887 PolarHBondContact O-N 3.47Å; L887-N891 WeakPolarHBondContact O-CB 3.37Å; L887-N891 PolarHBondContact O-N 2.86Å; L887-P900 HydrophobicContact CD2-CG 3.78Å; L887-L905 HydrophobicContact CB-CD2 3.9Å; L887-F908 HydrophobicContact CD1-CD1 4.24Å; L887-F908 HydrophobicContact CD1-CD2 3.78Å; L887-F908 HydrophobicContact CD1-CE1 4.28Å; L887-F908 HydrophobicContact CD1-CE2 3.82Å; L887-F908 HydrophobicContact CD1-CG 4.01Å; L887-F908 HydrophobicContact CD1-CZ 4.08Å
888C95.6Very high92.8Very high0 Ų071.5 Ų71.50%037%0.367CS..Hα-helixtrans-69.5-39.5175.1-66.80000112F831 L832 F884 R885 E886 N891 L892F831-C888 VanDerWaalsContact CB-SG 3.52Å; L832-C888 HydrophobicContact CD1-CB 4.18Å; L832-C888 HydrophobicContact CD2-CB 4Å; L832-C888 HydrophobicContact CG-CB 3.68Å; F884-C888 PolarHBondContact O-N 3.31Å; F884-C888 PolarHBondContact O-SG 3.42Å; R885-C888 WeakPolarHBondContact O-CB 3.45Å; R885-C888 PolarHBondContact O-N 2.79Å; R885-C888 VanDerWaalsContact O-N 3.16Å; E886-C888 VanDerWaalsContact C-N 3.29Å; E886-C888 PolarHBondContact O-N 2.97Å; C888-N891 WeakPolarHBondContact O-CB 3.33Å; C888-N891 PolarHBondContact O-N 2.83Å; C888-L892 WeakPolarHBondContact O-CG 3.36Å; C888-L892 PolarHBondContact O-N 2.8Å; C888-L892 VanDerWaalsContact O-N 3.11Å
889E94.7Very high92.4Very high104 Ų10473.3 Ų73.349%0.48636%0.362SS..Hα-helixtrans-67.8-38.7175.3-70.8173.2-160.700111.6L832 R885 E886 L892 N893L832-E889 HydrophobicContact CD1-CG 4.24Å; R885-E889 WeakPolarHBondContact CG-OE1 3.49Å; R885-E889 WeakPolarHBondContact O-CG 3.34Å; R885-E889 PolarHBondContact O-N 2.91Å; E886-E889 PolarHBondContact O-N 2.95Å; E886-E889 VanDerWaalsContact O-N 3.17Å; E889-L892 PolarHBondContact O-N 3.25Å; E889-L892 VanDerWaalsContact O-N 3.16Å; E889-N893 PolarHBondContact O-N 3.29Å
890E94.4Very high92.1Very high92 Ų9269 Ų6943%0.4334%0.342SS..Hα-helixtrans-62.4-40.6169.9-73.4-173.5160.800112.4E886 L892 N893 A896 P900E886-E890 WeakPolarHBondContact O-CG 3.08Å; E886-E890 PolarHBondContact O-N 3.28Å; E890-L892 PolarHBondContact O-N 3.2Å; E890-N893 PolarHBondContact O-N 3.4Å; E890-A896 HydrophobicContact CB-CB 4.23Å; E890-A896 WeakPolarHBondContact O-CB 3.47Å; E890-P900 HydrophobicContact CB-CG 4.08Å
891N93.7Very high91.9Very high7 Ų768 Ų684%0.03735%0.345CS..Hα-helixtrans-61.2-31.1173172.6-97.2000112.4G828 L887 C888 R899 P900 L905G828-N891 PolarHBondContact N-OD1 2.84Å; L887-N891 WeakPolarHBondContact O-CB 3.37Å; L887-N891 PolarHBondContact O-N 2.86Å; C888-N891 WeakPolarHBondContact O-CB 3.33Å; C888-N891 PolarHBondContact O-N 2.83Å; N891-R899 PolarHBondContact O-NE 3.13Å; N891-R899 PolarHBondContact O-NH2 3.13Å; N891-P900 PolarHBondContact ND2-O 3.15Å; N891-L905 HydrophobicContact CB-CD1 3.66Å; N891-L905 HydrophobicContact CB-CD2 4.46Å; N891-L905 HydrophobicContact CB-CG 4.26Å
892L91.9Very high91.6Very high48 Ų4870 Ų7025%0.25136%0.36SS..Hα-helixtrans-83.9-24.2176.5-63.2178.5000113.4D827 R829 L832 C888 E889 E890 P894D827-L892 HydrophobicContact CB-CD2 4.32Å; R829-L892 HydrophobicContact CB-CD1 4.5Å; R829-L892 HydrophobicContact CG-CD1 3.52Å; R829-L892 HydrophobicContact CG-CD2 3.76Å; R829-L892 HydrophobicContact CG-CG 4.29Å; L832-L892 HydrophobicContact CD1-CD1 4.07Å; C888-L892 WeakPolarHBondContact O-CG 3.36Å; C888-L892 PolarHBondContact O-N 2.8Å; C888-L892 VanDerWaalsContact O-N 3.11Å; E889-L892 PolarHBondContact O-N 3.25Å; E889-L892 VanDerWaalsContact O-N 3.16Å; E890-L892 PolarHBondContact O-N 3.2Å; L892-P894 WeakPolarHBondContact O-CD 3.48Å
893N91.2Very high91.4Very high68 Ų6873.9 Ų73.936%0.36438%0.378SS..  trans-76.2114177.3-176.2-1.4000111.3E889 E890 N895 A896E889-N893 PolarHBondContact O-N 3.29Å; E890-N893 PolarHBondContact O-N 3.4Å; N893-N895 PolarHBondContact O-N 3.01Å; N893-N895 VanDerWaalsContact O-N 3.11Å; N893-N895 WeakPolarHBondContact OD1-CB 3.2Å; N893-N895 PolarHBondContact OD1-N 2.99Å; N893-N895 PolarHBondContact OD1-ND2 3.18Å; N893-A896 HydrophobicContact CB-CB 4.28Å; N893-A896 PolarHBondContact O-N 2.8Å
894P86.8Confident91.3Very high91 Ų9173.2 Ų73.259%0.59138%0.377SS*.THydrogen-bonded Turntrans-67.1-13.5179.428.6-34.8000113.5L892L892-P894 WeakPolarHBondContact O-CD 3.48Å
895N90.3Very high91.2Very high126 Ų12672.9 Ų72.967%0.67438%0.376SS*.THydrogen-bonded Turntrans-98.52.6-178.4-44.9-84.6000113.5N893N893-N895 PolarHBondContact O-N 3.01Å; N893-N895 VanDerWaalsContact O-N 3.11Å; N893-N895 WeakPolarHBondContact OD1-CB 3.2Å; N893-N895 PolarHBondContact OD1-N 2.99Å; N893-N895 PolarHBondContact OD1-ND2 3.18Å
896A86Confident91.1Very high10 Ų1071.3 Ų71.38%0.08338%0.376CS..  trans-72.5134.2178.600000111.3E890 N893 R899E890-A896 HydrophobicContact CB-CB 4.23Å; E890-A896 WeakPolarHBondContact O-CB 3.47Å; N893-A896 HydrophobicContact CB-CB 4.28Å; N893-A896 PolarHBondContact O-N 2.8Å; A896-R899 HydrophobicContact CB-CB 4.22Å; A896-R899 HydrophobicContact CB-CG 4.37Å; A896-R899 WeakPolarHBondContact O-CB 3.27Å; A896-R899 PolarHBondContact O-N 2.95Å
897H74.4Confident91.1Very high172 Ų17268.7 Ų68.780%0.79637%0.373SS*.SBendtrans-141.8111.5-178-70.2-20.1000111
898P82.9Confident91.1Very high123 Ų12371.9 Ų71.980%0.79939%0.386SS*.SBendcis-65145.5-8.230.5-35.4000111.4
899R88.6Confident91.2Very high120 Ų12073 Ų7345%0.45339%0.39SS..PPolyproline II helixtrans-89.1122.6171.2-175.6170.2173.9-160.6-2.2108.4N891 A896 V901N891-R899 PolarHBondContact O-NE 3.13Å; N891-R899 PolarHBondContact O-NH2 3.13Å; A896-R899 HydrophobicContact CB-CB 4.22Å; A896-R899 HydrophobicContact CB-CG 4.37Å; A896-R899 WeakPolarHBondContact O-CB 3.27Å; A896-R899 PolarHBondContact O-N 2.95Å; R899-V901 PolarHBondContact O-N 3.43Å
900P89.6Confident91.3Very high12 Ų1273 Ų738%0.07839%0.394CS..PPolyproline II helixtrans-58.2133.6171-21.332.4000109.8L887 E890 N891 D904 L905L887-P900 HydrophobicContact CD2-CG 3.78Å; E890-P900 HydrophobicContact CB-CG 4.08Å; N891-P900 PolarHBondContact ND2-O 3.15Å; P900-D904 HydrophobicContact CB-CB 4.45Å; P900-L905 HydrophobicContact CB-CD2 4.35Å
901V91.4Very high91.4Very high81 Ų8174.4 Ų74.449%0.49140%0.402SS..PPolyproline II helixtrans-85.9161172.9-62.30000110.9R899 Q903 D904 L905R899-V901 PolarHBondContact O-N 3.43Å; V901-Q903 HydrophobicContact CG2-CB 4.12Å; V901-Q903 PolarHBondContact O-N 3.29Å; V901-D904 HydrophobicContact CG2-CB 4.41Å; V901-D904 VanDerWaalsContact CG2-OD2 3.32Å; V901-D904 WeakPolarHBondContact CG2-OD2 3.43Å; V901-D904 PolarHBondContact N-OD2 2.93Å; V901-D904 WeakPolarHBondContact O-CA 3.32Å; V901-D904 WeakPolarHBondContact O-CB 3.41Å; V901-D904 PolarHBondContact O-N 3.09Å; V901-L905 PolarHBondContact O-N 2.68Å; V901-L905 VanDerWaalsContact O-N 3.13Å
902S92.4Very high91.6Very high48 Ų4874.5 Ų74.534%0.33640%0.402SS..Hα-helixtrans-52.5-28.9176.3-72.90000114.2R826 A906R826-S902 WeakPolarHBondContact O-CB 3.38Å; R826-S902 PolarHBondContact O-OG 2.92Å; S902-A906 PolarHBondContact O-N 3.31Å; S902-A906 VanDerWaalsContact O-N 3.08Å
903Q93.4Very high91.9Very high161 Ų16174.6 Ų74.675%0.75240%0.401SS*.Hα-helixtrans-75.2-32.2175.7-172.8172.5-1.600112.8V901 A906 G907V901-Q903 HydrophobicContact CG2-CB 4.12Å; V901-Q903 PolarHBondContact O-N 3.29Å; Q903-A906 PolarHBondContact O-N 2.91Å; Q903-G907 PolarHBondContact O-N 2.88Å
904D94.2Very high92.1Very high76 Ų7676.2 Ų76.241%0.40641%0.41SS..Hα-helixtrans-67-45172.9-55.8-32.4000109.3P900 V901 A906 G907 F908P900-D904 HydrophobicContact CB-CB 4.45Å; V901-D904 HydrophobicContact CG2-CB 4.41Å; V901-D904 VanDerWaalsContact CG2-OD2 3.32Å; V901-D904 WeakPolarHBondContact CG2-OD2 3.43Å; V901-D904 PolarHBondContact N-OD2 2.93Å; V901-D904 WeakPolarHBondContact O-CA 3.32Å; V901-D904 WeakPolarHBondContact O-CB 3.41Å; V901-D904 PolarHBondContact O-N 3.09Å; D904-A906 VanDerWaalsContact C-N 3.3Å; D904-A906 PolarHBondContact O-N 3.49Å; D904-G907 PolarHBondContact O-N 2.7Å; D904-G907 VanDerWaalsContact O-N 3.14Å; D904-F908 HydrophobicContact CB-CD2 4.47Å; D904-F908 WeakPolarHBondContact O-CD2 3.4Å; D904-F908 PolarHBondContact O-N 3.46Å
905L95.4Very high92.6Very high0 Ų074 Ų740%040%0.396CS..Hα-helixtrans-58.4-41.2174.9-63.4-172.1000112F831 F884 L887 N891 P900 V901 F908 W909F831-L905 HydrophobicContact CD2-CB 3.6Å; F831-L905 HydrophobicContact CD2-CD1 3.68Å; F831-L905 HydrophobicContact CD2-CG 4.32Å; F831-L905 HydrophobicContact CE2-CB 3.53Å; F831-L905 HydrophobicContact CE2-CD1 4.28Å; F831-L905 HydrophobicContact CG-CB 4.23Å; F831-L905 HydrophobicContact CG-CD1 4.4Å; F831-L905 HydrophobicContact CZ-CB 4.11Å; F884-L905 HydrophobicContact CE2-CB 4.32Å; F884-L905 HydrophobicContact CE2-CD2 4.19Å; F884-L905 WeakPolarHBondContact CE2-O 3.41Å; F884-L905 HydrophobicContact CZ-CB 4.42Å; L887-L905 HydrophobicContact CB-CD2 3.9Å; N891-L905 HydrophobicContact CB-CD1 3.66Å; N891-L905 HydrophobicContact CB-CD2 4.46Å; N891-L905 HydrophobicContact CB-CG 4.26Å; P900-L905 HydrophobicContact CB-CD2 4.35Å; V901-L905 PolarHBondContact O-N 2.68Å; V901-L905 VanDerWaalsContact O-N 3.13Å; L905-F908 PolarHBondContact O-N 3.47Å; L905-W909 VanDerWaalsContact O-CB 3.27Å; L905-W909 WeakPolarHBondContact O-CB 3.39Å; L905-W909 PolarHBondContact O-N 3.34Å
906A95.4Very high93Very high29 Ų2968.1 Ų68.124%0.2437%0.365CS..Hα-helixtrans-60.4-46.8173.800000111.9F831 S902 Q903 D904 F908 W909 D910F831-A906 HydrophobicContact CZ-CB 3.96Å; S902-A906 PolarHBondContact O-N 3.31Å; S902-A906 VanDerWaalsContact O-N 3.08Å; Q903-A906 PolarHBondContact O-N 2.91Å; D904-A906 VanDerWaalsContact C-N 3.3Å; D904-A906 PolarHBondContact O-N 3.49Å; A906-F908 PolarHBondContact O-N 3.18Å; A906-W909 PolarHBondContact O-N 2.78Å; A906-D910 VanDerWaalsContact O-CG 3.28Å; A906-D910 PolarHBondContact O-N 2.78Å
907G95.8Very high93.5Very high37 Ų3772.6 Ų72.638%0.38138%0.384SS..Hα-helixtrans-65.1-36.2177.600000114Q903 D904 M911Q903-G907 PolarHBondContact O-N 2.88Å; D904-G907 PolarHBondContact O-N 2.7Å; D904-G907 VanDerWaalsContact O-N 3.14Å; G907-M911 WeakPolarHBondContact O-CG 3.4Å; G907-M911 PolarHBondContact O-N 3.39Å
908F95.9Very high94.6Very high105 Ų10569.2 Ų69.246%0.46137%0.372SS..Hα-helixtrans-68.9-38.5172-79.8-65.8000112F884 L887 D904 L905 A906 M911 L912F884-F908 HydrophobicContact CD2-CB 3.79Å; F884-F908 HydrophobicContact CE2-CB 3.76Å; L887-F908 HydrophobicContact CD1-CD1 4.24Å; L887-F908 HydrophobicContact CD1-CD2 3.78Å; L887-F908 HydrophobicContact CD1-CE1 4.28Å; L887-F908 HydrophobicContact CD1-CE2 3.82Å; L887-F908 HydrophobicContact CD1-CG 4.01Å; L887-F908 HydrophobicContact CD1-CZ 4.08Å; D904-F908 HydrophobicContact CB-CD2 4.47Å; D904-F908 WeakPolarHBondContact O-CD2 3.4Å; D904-F908 PolarHBondContact O-N 3.46Å; L905-F908 PolarHBondContact O-N 3.47Å; A906-F908 PolarHBondContact O-N 3.18Å; F908-M911 PolarHBondContact O-N 3.35Å; F908-L912 WeakPolarHBondContact O-CB 3.37Å; F908-L912 PolarHBondContact O-N 3.42Å
909W97.3Very high95.3Very high22 Ų2263.7 Ų63.78%0.08334%0.335CS..Hα-helixtrans-64.7-46.4176180-96.8000112F831 L834 L835 E838 F884 L905 A906 M911 L912 Q913 I916F831-W909 HydrophobicContact CD1-CB 4.03Å; F831-W909 HydrophobicContact CD1-CD2 4.4Å; F831-W909 HydrophobicContact CD1-CG 4.14Å; F831-W909 HydrophobicContact CE1-CB 3.62Å; F831-W909 AromaticContact CE1-CG 3.87Å; F831-W909 HydrophobicContact CE1-CG 3.87Å; L834-W909 HydrophobicContact CD1-CZ2 4.36Å; L834-W909 HydrophobicContact CD2-CD2 4.12Å; L834-W909 VanDerWaalsContact CD2-CE2 3.47Å; L834-W909 HydrophobicContact CD2-CH2 4.1Å; L834-W909 HydrophobicContact CD2-CZ2 3.47Å; L834-W909 VanDerWaalsContact CD2-CZ2 3.47Å; L834-W909 HydrophobicContact CG-CH2 3.76Å; L834-W909 HydrophobicContact CG-CZ2 3.54Å; L834-W909 HydrophobicContact CG-CZ3 4.45Å; L835-W909 HydrophobicContact CB-CZ3 4.3Å; L835-W909 HydrophobicContact CD1-CZ3 4.05Å; E838-W909 HydrophobicContact CB-CH2 4.27Å; E838-W909 HydrophobicContact CG-CH2 4.48Å; F884-W909 HydrophobicContact CD1-CE3 4.05Å; F884-W909 HydrophobicContact CD1-CZ3 4.43Å; F884-W909 HydrophobicContact CE1-CD2 4.47Å; F884-W909 AromaticContact CE1-CE3 3.49Å; F884-W909 HydrophobicContact CE1-CE3 3.49Å; F884-W909 VanDerWaalsContact CE1-CE3 3.49Å; F884-W909 HydrophobicContact CE1-CZ3 4.14Å; F884-W909 HydrophobicContact CE2-CB 4.27Å; F884-W909 HydrophobicContact CZ-CB 3.88Å; F884-W909 AromaticContact CZ-CE3 3.98Å; F884-W909 HydrophobicContact CZ-CE3 3.98Å; L905-W909 VanDerWaalsContact O-CB 3.27Å; L905-W909 WeakPolarHBondContact O-CB 3.39Å; L905-W909 PolarHBondContact O-N 3.34Å; A906-W909 PolarHBondContact O-N 2.78Å; W909-M911 VanDerWaalsContact C-N 3.27Å; W909-M911 PolarHBondContact O-N 3.34Å; W909-L912 HydrophobicContact CE3-CD2 4.12Å; W909-L912 HydrophobicContact CZ3-CD2 4.05Å; W909-L912 CarbonylContact O-C 3.59Å; W909-L912 WeakPolarHBondContact O-CA 3.49Å; W909-L912 WeakPolarHBondContact O-CB 3.19Å; W909-L912 PolarHBondContact O-N 2.93Å; W909-Q913 PolarHBondContact O-N 3.44Å; W909-I916 HydrophobicContact CH2-CD1 4.33Å
910D97.1Very high95.7Very high105 Ų10559.1 Ų59.156%0.56132%0.322SS*.Hα-helixtrans-59.5-40178.2-66.7-17.7000111.3A906 L912 Q913 L914A906-D910 VanDerWaalsContact O-CG 3.28Å; A906-D910 PolarHBondContact O-N 2.78Å; D910-L912 VanDerWaalsContact C-N 3.35Å; D910-Q913 PolarHBondContact O-N 2.88Å; D910-L914 PolarHBondContact O-N 3.07Å
911M96.1Very high96.1Very high122 Ų12264.2 Ų64.260%0.60135%0.348SS*.Hα-helixtrans-69.3-29.5173.5-71.9-59.1-47.200113.6G907 F908 W909 L914 S915G907-M911 WeakPolarHBondContact O-CG 3.4Å; G907-M911 PolarHBondContact O-N 3.39Å; F908-M911 PolarHBondContact O-N 3.35Å; W909-M911 VanDerWaalsContact C-N 3.27Å; W909-M911 PolarHBondContact O-N 3.34Å; M911-L914 HydrophobicContact CE-CD1 4.4Å; M911-L914 HydrophobicContact SD-CD1 4.19Å; M911-S915 PolarHBondContact O-OG 3.19Å
912L97.3Very high96.3Very high9 Ų963.1 Ų63.15%0.04734%0.336CS..Hα-helixtrans-72.7-40173.8-168.857.4000111L835 L876 K880 F881 F884 F908 W909 D910 L914 S915 I916L835-L912 HydrophobicContact CD1-CD2 3.96Å; L876-L912 HydrophobicContact CD1-CD1 4.17Å; L876-L912 HydrophobicContact CD2-CD1 4.5Å; L876-L912 HydrophobicContact CG-CD1 4.36Å; K880-L912 HydrophobicContact CB-CD1 3.63Å; F881-L912 HydrophobicContact CD1-CD1 3.86Å; F881-L912 HydrophobicContact CD1-CD2 3.85Å; F881-L912 HydrophobicContact CD1-CG 4.19Å; F881-L912 HydrophobicContact CE1-CD1 3.81Å; F881-L912 HydrophobicContact CE1-CD2 3.93Å; F881-L912 HydrophobicContact CE1-CG 3.93Å; F884-L912 HydrophobicContact CB-CD2 4.1Å; F884-L912 HydrophobicContact CD1-CD2 4.18Å; F884-L912 HydrophobicContact CG-CD2 4.15Å; F908-L912 WeakPolarHBondContact O-CB 3.37Å; F908-L912 PolarHBondContact O-N 3.42Å; W909-L912 HydrophobicContact CE3-CD2 4.12Å; W909-L912 HydrophobicContact CZ3-CD2 4.05Å; W909-L912 CarbonylContact O-C 3.59Å; W909-L912 WeakPolarHBondContact O-CA 3.49Å; W909-L912 WeakPolarHBondContact O-CB 3.19Å; W909-L912 PolarHBondContact O-N 2.93Å; D910-L912 VanDerWaalsContact C-N 3.35Å; L912-L914 PolarHBondContact O-N 3.14Å; L912-S915 CarbonylContact O-C 3.6Å; L912-S915 WeakPolarHBondContact O-CA 3.45Å; L912-S915 VanDerWaalsContact O-CB 3.24Å; L912-S915 WeakPolarHBondContact O-CB 3.42Å; L912-S915 PolarHBondContact O-N 3.33Å; L912-I916 HydrophobicContact CG-CD1 3.96Å; L912-I916 WeakPolarHBondContact O-CG1 3.33Å; L912-I916 PolarHBondContact O-N 3.06Å
913Q97.5Very high96.6Very high50 Ų5060.9 Ų60.923%0.23432%0.32CS..Hα-helixtrans-61.9-40.5179.9-158.168.2300112W909 D910 S915 I916 E917W909-Q913 PolarHBondContact O-N 3.44Å; D910-Q913 PolarHBondContact O-N 2.88Å; Q913-S915 PolarHBondContact O-N 3.04Å; Q913-I916 WeakPolarHBondContact O-CB 3.32Å; Q913-I916 PolarHBondContact O-N 3.13Å; Q913-I916 VanDerWaalsContact O-N 3.13Å; Q913-E917 WeakPolarHBondContact O-CB 3.41Å; Q913-E917 WeakPolarHBondContact O-CG 3.16Å; Q913-E917 PolarHBondContact O-N 2.88Å
914L96.8Very high96.7Very high102 Ų10256.2 Ų56.253%0.53430%0.301SS..Hα-helixtrans-58.4-31170.9-68.1173000113.1D910 M911 L912 N918D910-L914 PolarHBondContact O-N 3.07Å; M911-L914 HydrophobicContact CE-CD1 4.4Å; M911-L914 HydrophobicContact SD-CD1 4.19Å; L912-L914 PolarHBondContact O-N 3.14Å; L914-N918 WeakPolarHBondContact O-CB 3.36Å; L914-N918 PolarHBondContact O-N 2.86Å
915S96.9Very high96.8Very high45 Ų4556.5 Ų56.532%0.31530%0.3SS..Hα-helixtrans-78.6-37.3176.9-52.20000111.6M911 L912 Q913 I919M911-S915 PolarHBondContact O-OG 3.19Å; L912-S915 CarbonylContact O-C 3.6Å; L912-S915 WeakPolarHBondContact O-CA 3.45Å; L912-S915 VanDerWaalsContact O-CB 3.24Å; L912-S915 WeakPolarHBondContact O-CB 3.42Å; L912-S915 PolarHBondContact O-N 3.33Å; Q913-S915 PolarHBondContact O-N 3.04Å; S915-I919 WeakPolarHBondContact O-CG1 3.36Å; S915-I919 PolarHBondContact O-N 2.78Å
916I97.6Very high96.8Very high1 Ų156.6 Ų56.61%0.00530%0.3CS..Hα-helixtrans-64.5-49.6174.2-69.5154.7000110.7E838 M842 L876 F881 W909 L912 Q913 N918 I919 S920E838-I916 HydrophobicContact CG-CD1 3.65Å; E838-I916 HydrophobicContact CG-CG1 4.13Å; E838-I916 HydrophobicContact CG-CG2 4.23Å; E838-I916 WeakPolarHBondContact OE1-CG2 3.46Å; M842-I916 HydrophobicContact CE-CG1 4.34Å; L876-I916 HydrophobicContact CD2-CG1 4.01Å; F881-I916 HydrophobicContact CE1-CD1 3.99Å; F881-I916 HydrophobicContact CE1-CG1 3.94Å; F881-I916 HydrophobicContact CZ-CD1 3.86Å; F881-I916 HydrophobicContact CZ-CG1 3.84Å; W909-I916 HydrophobicContact CH2-CD1 4.33Å; L912-I916 HydrophobicContact CG-CD1 3.96Å; L912-I916 WeakPolarHBondContact O-CG1 3.33Å; L912-I916 PolarHBondContact O-N 3.06Å; Q913-I916 WeakPolarHBondContact O-CB 3.32Å; Q913-I916 PolarHBondContact O-N 3.13Å; Q913-I916 VanDerWaalsContact O-N 3.13Å; I916-N918 VanDerWaalsContact C-N 3.33Å; I916-N918 PolarHBondContact O-N 2.74Å; I916-I919 CarbonylContact O-C 3.52Å; I916-I919 WeakPolarHBondContact O-CA 3.45Å; I916-I919 PolarHBondContact O-N 3.23Å; I916-S920 PolarHBondContact O-N 2.8Å
917E97.5Very high96.8Very high105 Ų10558.2 Ų58.249%0.49130%0.303SS..Hα-helixtrans-57.9-44.3178.2-73.9173.7-170.800111.7Q913 I919 S920 L921Q913-E917 WeakPolarHBondContact O-CB 3.41Å; Q913-E917 WeakPolarHBondContact O-CG 3.16Å; Q913-E917 PolarHBondContact O-N 2.88Å; E917-I919 PolarHBondContact O-N 2.95Å; E917-S920 WeakPolarHBondContact O-CB 3.33Å; E917-S920 PolarHBondContact O-N 3.16Å; E917-L921 WeakPolarHBondContact O-CG 3.32Å; E917-L921 PolarHBondContact O-N 3.33Å
918N97Very high96.7Very high100 Ų10061.7 Ų61.754%0.53531%0.309SS..Hα-helixtrans-64-23.4176177.882.2000113.6L914 I916L914-N918 WeakPolarHBondContact O-CB 3.36Å; L914-N918 PolarHBondContact O-N 2.86Å; I916-N918 VanDerWaalsContact C-N 3.33Å; I916-N918 PolarHBondContact O-N 2.74Å
919I97.7Very high96.5Very high8 Ų856.8 Ų56.84%0.04129%0.287CS..Hα-helixtrans-88.9-38174.2-68.2177.3000111.2M842 S872 A873 L876 S915 I916 E917 L921 K922 F923M842-I919 HydrophobicContact SD-CB 4.4Å; M842-I919 HydrophobicContact SD-CG2 3.73Å; S872-I919 WeakPolarHBondContact O-CD1 3.41Å; A873-I919 HydrophobicContact CB-CG2 3.94Å; L876-I919 HydrophobicContact CB-CD1 3.86Å; L876-I919 HydrophobicContact CD2-CD1 3.73Å; L876-I919 HydrophobicContact CG-CD1 4.35Å; S915-I919 WeakPolarHBondContact O-CG1 3.36Å; S915-I919 PolarHBondContact O-N 2.78Å; I916-I919 CarbonylContact O-C 3.52Å; I916-I919 WeakPolarHBondContact O-CA 3.45Å; I916-I919 PolarHBondContact O-N 3.23Å; E917-I919 PolarHBondContact O-N 2.95Å; I919-L921 VanDerWaalsContact C-N 3.27Å; I919-L921 PolarHBondContact O-N 3.32Å; I919-K922 WeakPolarHBondContact O-CB 3.36Å; I919-K922 PolarHBondContact O-N 2.93Å; I919-F923 HydrophobicContact CG2-CD2 3.81Å; I919-F923 HydrophobicContact CG2-CE2 3.56Å; I919-F923 WeakPolarHBondContact O-CD2 3.41Å; I919-F923 PolarHBondContact O-N 2.93Å; I919-F923 VanDerWaalsContact O-N 3.15Å
920S97.5Very high96.2Very high23 Ų2359.2 Ų59.216%0.16130%0.299CS..Hα-helixtrans-51.2-48.8169.7-170.50000110.3I916 E917 K922 F923 D924I916-S920 PolarHBondContact O-N 2.8Å; E917-S920 WeakPolarHBondContact O-CB 3.33Å; E917-S920 PolarHBondContact O-N 3.16Å; S920-K922 PolarHBondContact O-N 2.85Å; S920-K922 VanDerWaalsContact O-N 3.12Å; S920-F923 CarbonylContact O-C 3.6Å; S920-F923 WeakPolarHBondContact O-CA 3.28Å; S920-F923 PolarHBondContact O-N 3.11Å; S920-D924 VanDerWaalsContact C-OD2 3.3Å; S920-D924 VanDerWaalsContact O-CG 3.23Å; S920-D924 PolarHBondContact O-N 3.16Å; S920-D924 VanDerWaalsContact O-OD2 3.04Å; S920-D924 PolarHBondContact OG-OD2 3.37Å
921L97.3Very high95.9Very high119 Ų11958.1 Ų58.162%0.62330%0.304SS*.Hα-helixtrans-57.4-29.5178.2-71.2173.3000114.1E917 I919 E925E917-L921 WeakPolarHBondContact O-CG 3.32Å; E917-L921 PolarHBondContact O-N 3.33Å; I919-L921 VanDerWaalsContact C-N 3.27Å; I919-L921 PolarHBondContact O-N 3.32Å; L921-E925 PolarHBondContact O-N 3.19Å; L921-E925 VanDerWaalsContact O-N 3.13Å
922K97Very high95.6Very high59 Ų5955 Ų5526%0.25729%0.29SS..Hα-helixtrans-73.4-44.7172.9-62.4-177.1177.3-176.20111.6S868 A869 S872 I919 S920 D924 E925 L926S868-K922 PolarHBondContact O-NZ 3.17Å; A869-K922 HydrophobicContact CB-CB 3.84Å; A869-K922 HydrophobicContact CB-CD 4.05Å; S872-K922 PolarHBondContact OG-NZ 2.91Å; I919-K922 WeakPolarHBondContact O-CB 3.36Å; I919-K922 PolarHBondContact O-N 2.93Å; S920-K922 PolarHBondContact O-N 2.85Å; S920-K922 VanDerWaalsContact O-N 3.12Å; K922-D924 VanDerWaalsContact C-N 3.27Å; K922-D924 PolarHBondContact O-N 2.96Å; K922-E925 WeakPolarHBondContact O-CB 3.48Å; K922-E925 PolarHBondContact O-N 3.01Å; K922-L926 WeakPolarHBondContact O-CG 3.4Å; K922-L926 PolarHBondContact O-N 2.79Å
923F97.4Very high95.2Very high0 Ų060.4 Ų60.40%032%0.319CS..Hα-helixtrans-64-35.4174.7-73.9-68.7000111W845 M849 A869 V870 A873 I919 S920 E925 L926 H927W845-F923 HydrophobicContact CB-CD1 3.82Å; W845-F923 HydrophobicContact CB-CD2 4.07Å; W845-F923 HydrophobicContact CB-CE1 3.74Å; W845-F923 HydrophobicContact CB-CE2 3.99Å; W845-F923 HydrophobicContact CB-CG 3.98Å; W845-F923 HydrophobicContact CB-CZ 3.83Å; W845-F923 HydrophobicContact CD2-CB 4.49Å; W845-F923 HydrophobicContact CD2-CD2 4.18Å; W845-F923 HydrophobicContact CD2-CG 4.34Å; W845-F923 HydrophobicContact CE3-CB 4.48Å; W845-F923 AromaticContact CE3-CD2 3.6Å; W845-F923 HydrophobicContact CE3-CD2 3.6Å; W845-F923 HydrophobicContact CE3-CE2 4.05Å; W845-F923 HydrophobicContact CE3-CG 4.19Å; W845-F923 HydrophobicContact CG-CD2 4.43Å; W845-F923 HydrophobicContact CG-CG 4.32Å; W845-F923 HydrophobicContact CZ3-CD2 4.33Å; M849-F923 HydrophobicContact CB-CE1 4.3Å; M849-F923 HydrophobicContact CG-CD1 3.62Å; M849-F923 HydrophobicContact CG-CE1 3.61Å; A869-F923 HydrophobicContact CB-CD1 4.48Å; A869-F923 HydrophobicContact CB-CE1 4.27Å; A869-F923 HydrophobicContact CB-CZ 4.39Å; V870-F923 HydrophobicContact CG2-CE1 4.14Å; V870-F923 HydrophobicContact CG2-CZ 4.36Å; A873-F923 HydrophobicContact CB-CE2 3.93Å; A873-F923 HydrophobicContact CB-CZ 4.07Å; I919-F923 HydrophobicContact CG2-CD2 3.81Å; I919-F923 HydrophobicContact CG2-CE2 3.56Å; I919-F923 WeakPolarHBondContact O-CD2 3.41Å; I919-F923 PolarHBondContact O-N 2.93Å; I919-F923 VanDerWaalsContact O-N 3.15Å; S920-F923 CarbonylContact O-C 3.6Å; S920-F923 WeakPolarHBondContact O-CA 3.28Å; S920-F923 PolarHBondContact O-N 3.11Å; F923-E925 PolarHBondContact O-N 3.31Å; F923-L926 HydrophobicContact CD1-CD1 4.27Å; F923-L926 CarbonylContact O-C 3.31Å; F923-L926 PolarHBondContact O-N 2.92Å; F923-L926 VanDerWaalsContact O-N 3.16Å; F923-H927 WeakPolarHBondContact O-CB 3.36Å; F923-H927 VanDerWaalsContact O-CG 3.23Å; F923-H927 PolarHBondContact O-N 3.34Å; F923-H927 PolarHBondContact O-ND1 3.5Å
924D96.9Very high94.8Very high64 Ų6459.1 Ų59.134%0.34231%0.312SS..Hα-helixtrans-63.9-37.3173.3-65.2-42.4000112.1S920 K922 Q928S920-D924 VanDerWaalsContact C-OD2 3.3Å; S920-D924 VanDerWaalsContact O-CG 3.23Å; S920-D924 PolarHBondContact O-N 3.16Å; S920-D924 VanDerWaalsContact O-OD2 3.04Å; S920-D924 PolarHBondContact OG-OD2 3.37Å; K922-D924 VanDerWaalsContact C-N 3.27Å; K922-D924 PolarHBondContact O-N 2.96Å; D924-Q928 WeakPolarHBondContact O-CB 3.49Å; D924-Q928 VanDerWaalsContact O-CG 3.26Å; D924-Q928 WeakPolarHBondContact O-CG 3.5Å; D924-Q928 PolarHBondContact O-N 3.49Å; D924-Q928 VanDerWaalsContact O-N 3.11Å; D924-Q928 PolarHBondContact O-NE2 2.92Å
925E95.4Very high93.9Very high81 Ų8160.9 Ų60.938%0.37932%0.315SS..Hα-helixtrans-62.8-45.5169.4-168.8-170.5161.700111K865 L921 K922 F923 Q928 L929K865-E925 WeakPolarHBondContact CD-OE1 3.37Å; K865-E925 VanDerWaalsContact CE-OE1 3.31Å; K865-E925 WeakPolarHBondContact CE-OE1 3.4Å; K865-E925 IonicContact NZ-OE1 3.36Å; K865-E925 PolarHBondContact NZ-OE1 3.17Å; L921-E925 PolarHBondContact O-N 3.19Å; L921-E925 VanDerWaalsContact O-N 3.13Å; K922-E925 WeakPolarHBondContact O-CB 3.48Å; K922-E925 PolarHBondContact O-N 3.01Å; F923-E925 PolarHBondContact O-N 3.31Å; E925-Q928 WeakPolarHBondContact O-CB 3.43Å; E925-Q928 PolarHBondContact O-N 3.1Å; E925-L929 HydrophobicContact CG-CD1 4.35Å; E925-L929 WeakPolarHBondContact O-CG 3.21Å; E925-L929 PolarHBondContact O-N 3.3Å
926L95.1Very high92.8Very high2 Ų261.4 Ų61.41%0.0132%0.317CS..Hα-helixtrans-65.4-41.6179.7-68.4171.6000112.9M849 K865 I866 A869 K922 F923 Q928 L929 K930M849-L926 HydrophobicContact CG-CD1 4.08Å; M849-L926 HydrophobicContact SD-CB 3.58Å; M849-L926 VanDerWaalsContact SD-CB 3.58Å; M849-L926 HydrophobicContact SD-CD1 3.94Å; M849-L926 HydrophobicContact SD-CG 4.32Å; K865-L926 HydrophobicContact CB-CD2 3.74Å; I866-L926 HydrophobicContact CG1-CD1 4.04Å; I866-L926 HydrophobicContact CG1-CD2 3.64Å; I866-L926 HydrophobicContact CG1-CG 4.45Å; A869-L926 HydrophobicContact CB-CD1 3.56Å; K922-L926 WeakPolarHBondContact O-CG 3.4Å; K922-L926 PolarHBondContact O-N 2.79Å; F923-L926 HydrophobicContact CD1-CD1 4.27Å; F923-L926 CarbonylContact O-C 3.31Å; F923-L926 PolarHBondContact O-N 2.92Å; F923-L926 VanDerWaalsContact O-N 3.16Å; L926-Q928 VanDerWaalsContact C-N 3.3Å; L926-Q928 PolarHBondContact O-N 3.49Å; L926-L929 HydrophobicContact CD2-CD1 4.34Å; L926-L929 PolarHBondContact O-N 3.25Å; L926-K930 PolarHBondContact O-N 2.83Å
927H95.1Very high91.1Very high64 Ų6465.4 Ų65.430%0.29634%0.339SS..Hα-helixtrans-62.9-36.2173.5-67.4131.4000111.8F923 K930 A931F923-H927 WeakPolarHBondContact O-CB 3.36Å; F923-H927 VanDerWaalsContact O-CG 3.23Å; F923-H927 PolarHBondContact O-N 3.34Å; F923-H927 PolarHBondContact O-ND1 3.5Å; H927-K930 PolarHBondContact O-N 3.22Å; H927-A931 WeakPolarHBondContact O-CB 3.46Å; H927-A931 PolarHBondContact O-N 2.68Å
928Q94.1Very high89Confident109 Ų10966.1 Ų66.151%0.50935%0.35SS..Hα-helixtrans-68.1-38.5172.3-74.9168.787.600112.4D924 E925 L926 A931 N932 L937D924-Q928 WeakPolarHBondContact O-CB 3.49Å; D924-Q928 VanDerWaalsContact O-CG 3.26Å; D924-Q928 WeakPolarHBondContact O-CG 3.5Å; D924-Q928 PolarHBondContact O-N 3.49Å; D924-Q928 VanDerWaalsContact O-N 3.11Å; D924-Q928 PolarHBondContact O-NE2 2.92Å; E925-Q928 WeakPolarHBondContact O-CB 3.43Å; E925-Q928 PolarHBondContact O-N 3.1Å; L926-Q928 VanDerWaalsContact C-N 3.3Å; L926-Q928 PolarHBondContact O-N 3.49Å; Q928-A931 PolarHBondContact O-N 3.32Å; Q928-N932 WeakPolarHBondContact O-CB 3.39Å; Q928-N932 PolarHBondContact O-N 2.81Å; Q928-L937 HydrophobicContact CB-CD1 4.14Å
929L91.5Very high87Confident2 Ų266.5 Ų66.51%0.0136%0.358CS..Hα-helixtrans-64.5-43.7173-69.4169.3000111.1K865 E925 L926 A931 N932 N933 W934 K935 L937K865-L929 HydrophobicContact CD-CD1 3.99Å; E925-L929 HydrophobicContact CG-CD1 4.35Å; E925-L929 WeakPolarHBondContact O-CG 3.21Å; E925-L929 PolarHBondContact O-N 3.3Å; L926-L929 HydrophobicContact CD2-CD1 4.34Å; L926-L929 PolarHBondContact O-N 3.25Å; L929-A931 PolarHBondContact O-N 3.11Å; L929-N932 CarbonylContact O-C 3.57Å; L929-N932 VanDerWaalsContact O-C 3.31Å; L929-N932 WeakPolarHBondContact O-CA 3.36Å; L929-N932 PolarHBondContact O-N 2.99Å; L929-N933 PolarHBondContact O-N 3.3Å; L929-W934 HydrophobicContact CB-CE3 4.33Å; L929-W934 VanDerWaalsContact O-CA 3.28Å; L929-W934 WeakPolarHBondContact O-CA 3.4Å; L929-W934 PolarHBondContact O-N 2.81Å; L929-K935 WeakPolarHBondContact CD2-O 3.46Å; L929-L937 HydrophobicContact CD2-CG 4.43Å
930K90.6Very high84.7Confident73 Ų7371.5 Ų71.532%0.31739%0.391SS..Hα-helixtrans-55.9-49.3172.8-172.4169.3-170.8170.10111.5Q848 D852 L926 H927 N932 N933 W934Q848-K930 VanDerWaalsContact NE2-NZ 3.15Å; D852-K930 WeakPolarHBondContact OD1-CE 3.4Å; D852-K930 IonicContact OD1-NZ 2.72Å; D852-K930 PolarHBondContact OD1-NZ 3.42Å; D852-K930 WeakPolarHBondContact OD2-CD 3.38Å; D852-K930 WeakPolarHBondContact OD2-CE 3.37Å; D852-K930 IonicContact OD2-NZ 2.66Å; D852-K930 PolarHBondContact OD2-NZ 3.27Å; L926-K930 PolarHBondContact O-N 2.83Å; H927-K930 PolarHBondContact O-N 3.22Å; K930-N932 PolarHBondContact O-N 2.76Å; K930-N933 WeakPolarHBondContact O-CA 3.38Å; K930-N933 PolarHBondContact O-N 3.44Å; K930-W934 HydrophobicContact CB-CD2 4.37Å; K930-W934 HydrophobicContact CB-CE3 4.16Å; K930-W934 HydrophobicContact CB-CH2 3.57Å; K930-W934 HydrophobicContact CB-CZ2 3.76Å; K930-W934 HydrophobicContact CB-CZ3 3.77Å; K930-W934 HydrophobicContact CD-CH2 3.83Å; K930-W934 HydrophobicContact CD-CZ2 3.69Å; K930-W934 HydrophobicContact CG-CH2 3.76Å; K930-W934 HydrophobicContact CG-CZ2 3.47Å; K930-W934 VanDerWaalsContact CG-CZ2 3.47Å; K930-W934 HydrophobicContact CG-CZ3 4.42Å
931A91.4Very high82Confident82 Ų8277.6 Ų77.668%0.67842%0.417SS*.Hα-helixtrans-60.7-30.5175.100000113H927 Q928 L929 N933H927-A931 WeakPolarHBondContact O-CB 3.46Å; H927-A931 PolarHBondContact O-N 2.68Å; Q928-A931 PolarHBondContact O-N 3.32Å; L929-A931 PolarHBondContact O-N 3.11Å; A931-N933 PolarHBondContact O-N 3.02Å
932N91.2Very high79.7Confident56 Ų5679.1 Ų79.130%0.29942%0.424SS..THydrogen-bonded Turntrans-85.118.9172.7-162.441.9000113.7Q928 L929 K930 W934 K935 L937Q928-N932 WeakPolarHBondContact O-CB 3.39Å; Q928-N932 PolarHBondContact O-N 2.81Å; L929-N932 CarbonylContact O-C 3.57Å; L929-N932 VanDerWaalsContact O-C 3.31Å; L929-N932 WeakPolarHBondContact O-CA 3.36Å; L929-N932 PolarHBondContact O-N 2.99Å; K930-N932 PolarHBondContact O-N 2.76Å; N932-W934 VanDerWaalsContact C-N 3.31Å; N932-W934 PolarHBondContact O-N 2.94Å; N932-K935 PolarHBondContact ND2-O 3.39Å; N932-K935 PolarHBondContact O-N 3.13Å; N932-L937 HydrophobicContact CB-CD2 4.01Å
933N87.9Confident77Confident123 Ų12383.4 Ų83.466%0.65845%0.445SS*.THydrogen-bonded Turntrans56.344.8-178.3-60.6-116.3000112L929 K930 A931 K935L929-N933 PolarHBondContact O-N 3.3Å; K930-N933 WeakPolarHBondContact O-CA 3.38Å; K930-N933 PolarHBondContact O-N 3.44Å; A931-N933 PolarHBondContact O-N 3.02Å; N933-K935 PolarHBondContact O-N 3.41Å
934W88.6Confident74.6Confident24 Ų2490.7 Ų90.79%0.09148%0.479CS..THydrogen-bonded Turntrans58.37.6-179.8-53.8115.5000116.6D852 N856 L858 V862 I866 L929 K930 N932D852-W934 HydrophobicContact CB-CH2 3.64Å; D852-W934 HydrophobicContact CB-CZ2 3.54Å; D852-W934 VanDerWaalsContact CG-CZ2 3.47Å; N856-W934 VanDerWaalsContact CG-NE1 3.28Å; N856-W934 PolarHBondContact OD1-NE1 3.21Å; L858-W934 HydrophobicContact CD2-CB 3.58Å; L858-W934 VanDerWaalsContact CD2-CD1 3.44Å; L858-W934 HydrophobicContact CD2-CD2 3.41Å; L858-W934 VanDerWaalsContact CD2-CD2 3.41Å; L858-W934 HydrophobicContact CD2-CE3 4.02Å; L858-W934 HydrophobicContact CD2-CG 3.19Å; V862-W934 HydrophobicContact CG1-CE3 3.8Å; V862-W934 HydrophobicContact CG1-CZ3 4.26Å; I866-W934 HydrophobicContact CD1-CZ3 4.43Å; L929-W934 HydrophobicContact CB-CE3 4.33Å; L929-W934 VanDerWaalsContact O-CA 3.28Å; L929-W934 WeakPolarHBondContact O-CA 3.4Å; L929-W934 PolarHBondContact O-N 2.81Å; K930-W934 HydrophobicContact CB-CD2 4.37Å; K930-W934 HydrophobicContact CB-CE3 4.16Å; K930-W934 HydrophobicContact CB-CH2 3.57Å; K930-W934 HydrophobicContact CB-CZ2 3.76Å; K930-W934 HydrophobicContact CB-CZ3 3.77Å; K930-W934 HydrophobicContact CD-CH2 3.83Å; K930-W934 HydrophobicContact CD-CZ2 3.69Å; K930-W934 HydrophobicContact CG-CH2 3.76Å; K930-W934 HydrophobicContact CG-CZ2 3.47Å; K930-W934 VanDerWaalsContact CG-CZ2 3.47Å; K930-W934 HydrophobicContact CG-CZ3 4.42Å; N932-W934 VanDerWaalsContact C-N 3.31Å; N932-W934 PolarHBondContact O-N 2.94Å
935K79.1Confident72.1Confident139 Ų13999.1 Ų99.160%0.60451%0.506SS*.  trans-74.1135.1172.1-69.7162.1-173170.30108.2L929 N932 N933 L937L929-K935 WeakPolarHBondContact CD2-O 3.46Å; N932-K935 PolarHBondContact ND2-O 3.39Å; N932-K935 PolarHBondContact O-N 3.13Å; N933-K935 PolarHBondContact O-N 3.41Å; K935-L937 PolarHBondContact O-N 3.19Å
936P73Confident69.7Low55 Ų55105.8 Ų105.836%0.35753%0.528SS..  trans-45.7131.4165.6-28.135.2000109.2T938P936-T938 VanDerWaalsContact C-N 3.28Å; P936-T938 PolarHBondContact O-N 2.98Å
937L62.3Low67.4Low86 Ų86114 Ų11445%0.4557%0.568SS.*  trans-60.7100168.7-75.1172.8000106.3Q928 L929 N932 K935 P939Q928-L937 HydrophobicContact CB-CD1 4.14Å; L929-L937 HydrophobicContact CD2-CG 4.43Å; N932-L937 HydrophobicContact CB-CD2 4.01Å; K935-L937 PolarHBondContact O-N 3.19Å; L937-P939 WeakPolarHBondContact O-CD 3.43Å
938T52.3Low64.9Low120 Ų120116.4 Ų116.474%0.73659%0.59SS**  trans-52.8114162.343.30000105.1P936 P940P936-T938 VanDerWaalsContact C-N 3.28Å; P936-T938 PolarHBondContact O-N 2.98Å; T938-P940 VanDerWaalsContact O-N 3.08Å
939P55.9Low63.1Low108 Ų108116.5 Ų116.570%0.70160%0.599SS**  trans-53.7125-173.421.5-32.8000106.5L937 E941L937-P939 WeakPolarHBondContact O-CD 3.43Å; P939-E941 WeakPolarHBondContact O-CA 3.39Å; P939-E941 PolarHBondContact O-N 3.36Å
940P49.8Very low61.2Low112 Ų112122.3 Ų122.373%0.72764%0.637SS**  trans-53.5113.5-16621-33.3000106.9T938 I942T938-P940 VanDerWaalsContact O-N 3.08Å; P940-I942 PolarHBondContact O-N 3.23Å
941E41Very low59Low151 Ų151124.8 Ų124.871%0.70666%0.658SS**  trans-48.9110.5-158-177.8-170.9-136.500107.5P939 Q943P939-E941 WeakPolarHBondContact O-CA 3.39Å; P939-E941 PolarHBondContact O-N 3.36Å; E941-Q943 HydrophobicContact CG-CG 4.27Å; E941-Q943 PolarHBondContact O-N 2.93Å; E941-Q943 WeakPolarHBondContact OE2-CG 3.2Å; E941-Q943 PolarHBondContact OE2-NE2 3.43Å; E941-Q943 VanDerWaalsContact OE2-NE2 3.07Å
942I47.9Very low57.2Low151 Ų151126.5 Ų126.577%0.77466%0.663SS**  trans-72.584.1172-60.4-179.3000103.6P940 E944P940-I942 PolarHBondContact O-N 3.23Å; I942-E944 PolarHBondContact O-N 2.91Å
943Q40.6Very low55.1Low149 Ų149133.7 Ų133.770%0.69669%0.691SS**  trans-5483.2143.8-63.4-174.612.400105E941 R945E941-Q943 HydrophobicContact CG-CG 4.27Å; E941-Q943 PolarHBondContact O-N 2.93Å; E941-Q943 WeakPolarHBondContact OE2-CG 3.2Å; E941-Q943 PolarHBondContact OE2-NE2 3.43Å; E941-Q943 VanDerWaalsContact OE2-NE2 3.07Å; Q943-R945 PolarHBondContact O-N 3.31Å
944E46.5Very low52.6Low153 Ų153137.1 Ų137.172%0.71570%0.7SS**  trans-29.8117.4132.3-80.5-157.8121.200105.4I942 R946I942-E944 PolarHBondContact O-N 2.91Å; E944-R946 PolarHBondContact O-N 3.46Å
945R44.6Very low50.4Low241 Ų241141.8 Ų141.891%0.90973%0.734SS**  trans-64.782164.7-79.4-177.4165.5-167.1-2.8106.1Q943 M947Q943-R945 PolarHBondContact O-N 3.31Å; R945-M947 PolarHBondContact O-N 2.85Å
946R45.1Very low48.3Very low222 Ų222143.8 Ų143.884%0.83875%0.75SS**  trans-46.5110.4162.9-84-167173.1-163.52104.4E944E944-R946 PolarHBondContact O-N 3.46Å
947M46.2Very low46.9Very low173 Ų173151.3 Ų151.385%0.85278%0.777SS**PPolyproline II helixtrans-53.3130.7177-69.6-171.5173.600106.7R945R945-M947 PolarHBondContact O-N 2.85Å
948P44.1Very low45.5Very low116 Ų116150.7 Ų150.775%0.75379%0.791SS**PPolyproline II helixtrans-50.7128.8-173.8-29.835.1000110.1
949P54.9Low44.6Very low110 Ų110154 Ų15471%0.71480%0.798SS**PPolyproline II helixtrans-57.3129.3-176.822.9-32.9000108.6V951P949-V951 PolarHBondContact O-N 3.28Å; P949-V951 VanDerWaalsContact O-N 3.09Å
950P53.2Low43.9Very low124 Ų124154.3 Ų154.381%0.80580%0.8SS**PPolyproline II helixtrans-60120-173.422.4-32.7000109.9
951V43.9Very low43.6Very low125 Ų125154.8 Ų154.876%0.75880%0.803SS**PPolyproline II helixtrans-53.3125.6-169.4-179.30000110.9P949 K953P949-V951 PolarHBondContact O-N 3.28Å; P949-V951 VanDerWaalsContact O-N 3.09Å; V951-K953 PolarHBondContact O-N 2.96Å
952P52.8Low43.6Very low119 Ų119156.2 Ų156.277%0.77382%0.815SS**  trans-58112.3177.6-2634.9000111.4K954P952-K954 PolarHBondContact O-N 3.17Å
953K46.8Very low43.7Very low206 Ų206154 Ų15490%0.89682%0.819SS**PPolyproline II helixtrans-69.1123.6172.4-70.8-175.4178.4178.90108.8V951V951-K953 PolarHBondContact O-N 2.96Å
954K37Very low44Very low196 Ų196158.6 Ų158.685%0.85283%0.83SS**PPolyproline II helixtrans-57.8147.4177.3-71.4-178177.8179.40110.8P952P952-K954 PolarHBondContact O-N 3.17Å
955P40.9Very low44Very low121 Ų121159 Ų15979%0.78684%0.837SS**PPolyproline II helixtrans-74.1139.4-170.129.5-35.9000112.6
956L35.3Very low44.4Very low182 Ų182158.2 Ų158.295%0.95383%0.834SS**  trans-106.2150147.1-119.172.5000108.5
957K43.3Very low44.9Very low212 Ų212152.2 Ų152.292%0.92283%0.826SS**  trans-118.7118.6-156-171176.8-178179.50110.9
958G32.5Very low45Very low73 Ų73151 Ų15175%0.75382%0.823SS**  trans-173.6135177.900000113.7
959H33.8Very low45.4Very low190 Ų190151.1 Ų151.188%0.8881%0.813SS**  trans-86178.6171.8-70.2-111.9000110.7
960P41.3Very low45.5Very low115 Ų115148.8 Ų148.875%0.74780%0.799SS**  cis-121-170.4-30.525.3-2.1000110.3
961P43.3Very low46Very low121 Ų121146.4 Ų146.479%0.78679%0.786SS**  trans-89.8147.8-164.334.7-34.7000116
962L41Very low47.4Very low181 Ų181145 Ų14595%0.94877%0.771SS**  trans-131.3139.2152.5-74.7177.4000109.2
963A50.3Low48.4Very low104 Ų104147.2 Ų147.286%0.8676%0.764SS**  trans-81.2138.1-163.400000114.2
964R46.7Very low50.1Low247 Ų247144 Ų14493%0.93275%0.752SS**  trans-145.225.5167.2-147.2179.5175.4139.41.5116.1R966R964-R966 PolarHBondContact O-N 3.49Å
965D45.9Very low52.1Low161 Ų161142.8 Ų142.886%0.86174%0.742SS**  trans-83.7104.8162.4-90.8-55.6000110.5
966R53.4Low54.2Low224 Ų224142.7 Ų142.785%0.84573%0.734SS**  trans-162.4-3.8171.4-118.6174.5-169.2-172.23.2116.3R964 S970R964-R966 PolarHBondContact O-N 3.49Å; R966-S970 PolarHBondContact O-OG 3.49Å
967S55.4Low56.5Low97 Ų97138.3 Ų138.368%0.67871%0.709SS**SBendtrans-97.7-22.8-169.2-163.20000115.9S970S967-S970 PolarHBondContact O-OG 2.9Å; S967-S970 VanDerWaalsContact O-OG 3.07Å
968L49.6Very low58.5Low148 Ų148130.8 Ų130.878%0.77569%0.686SS**Hα-helixtrans-91.4-43.2-179.6-67.6174.5000111.5S970 S971 E972L968-S970 PolarHBondContact O-N 3.1Å; L968-S971 PolarHBondContact O-N 3.45Å; L968-E972 PolarHBondContact O-N 3.34Å
969E51.1Low61Low117 Ų117135.8 Ų135.855%0.54768%0.683SS.*Hα-helixtrans-62.6-28.5176.9-158-162.4158.600112.6E972 R973E969-E972 PolarHBondContact O-N 2.96Å; E969-R973 WeakPolarHBondContact O-CB 3.24Å; E969-R973 WeakPolarHBondContact O-CG 3.5Å; E969-R973 PolarHBondContact O-N 3.24Å; E969-R973 IonicContact OE1-CZ 2.76Å; E969-R973 IonicContact OE1-NE 2.78Å; E969-R973 PolarHBondContact OE1-NE 2.89Å; E969-R973 VanDerWaalsContact OE1-NE 3.07Å; E969-R973 IonicContact OE1-NH2 3.14Å; E969-R973 PolarHBondContact OE1-NH2 3.05Å
970S56.9Low63.7Low62 Ų62134.3 Ų134.343%0.43467%0.674SS.*Hα-helixtrans-66.3-40.1175.958.20000112.4R966 S967 L968 Q974R966-S970 PolarHBondContact O-OG 3.49Å; S967-S970 PolarHBondContact O-OG 2.9Å; S967-S970 VanDerWaalsContact O-OG 3.07Å; L968-S970 PolarHBondContact O-N 3.1Å; S970-Q974 WeakPolarHBondContact O-CB 3.45Å; S970-Q974 PolarHBondContact O-N 3.16Å
971S64.1Low65.9Low74 Ų74135.9 Ų135.952%0.51767%0.665SS.*Hα-helixtrans-66.5-42175.3-171.30000111.4L968 Q974 R975L968-S971 PolarHBondContact O-N 3.45Å; S971-Q974 PolarHBondContact O-N 2.86Å; S971-R975 WeakPolarHBondContact O-CB 3.32Å; S971-R975 PolarHBondContact O-N 3.44Å
972E73.1Confident68Low95 Ų95136.2 Ų136.244%0.44466%0.659SS.*Hα-helixtrans-64.5-44.6176.9-165.562-86.300111.7L968 E969 Q974 R975 L976L968-E972 PolarHBondContact O-N 3.34Å; E969-E972 PolarHBondContact O-N 2.96Å; E972-Q974 PolarHBondContact O-N 3.41Å; E972-R975 VanDerWaalsContact CD-NH2 3.3Å; E972-R975 PolarHBondContact O-N 2.95Å; E972-R975 IonicContact OE1-CZ 2.68Å; E972-R975 IonicContact OE1-NE 3.51Å; E972-R975 PolarHBondContact OE1-NE 3.19Å; E972-R975 IonicContact OE1-NH2 3.42Å; E972-R975 PolarHBondContact OE1-NH2 2.69Å; E972-R975 IonicContact OE2-NH2 3.22Å; E972-R975 PolarHBondContact OE2-NH2 3.11Å; E972-R975 VanDerWaalsContact OE2-NH2 3.14Å; E972-L976 WeakPolarHBondContact O-CB 3.25Å; E972-L976 PolarHBondContact O-N 3.2Å
973R75.3Confident70.2Confident165 Ų165132.5 Ų132.562%0.62364%0.64SS**Hα-helixtrans-61.1-43.1172.6-77.8-174-175.6-159.71.4112.5E969 R975 L976 E977E969-R973 WeakPolarHBondContact O-CB 3.24Å; E969-R973 WeakPolarHBondContact O-CG 3.5Å; E969-R973 PolarHBondContact O-N 3.24Å; E969-R973 IonicContact OE1-CZ 2.76Å; E969-R973 IonicContact OE1-NE 2.78Å; E969-R973 PolarHBondContact OE1-NE 2.89Å; E969-R973 VanDerWaalsContact OE1-NE 3.07Å; E969-R973 IonicContact OE1-NH2 3.14Å; E969-R973 PolarHBondContact OE1-NH2 3.05Å; R973-R975 VanDerWaalsContact C-N 3.33Å; R973-R975 PolarHBondContact O-N 2.96Å; R973-L976 PolarHBondContact O-N 2.8Å; R973-E977 VanDerWaalsContact O-CB 3.28Å; R973-E977 WeakPolarHBondContact O-CB 3.47Å; R973-E977 PolarHBondContact O-N 2.8Å
974Q80.9Confident71.7Confident139 Ų139130.3 Ų130.365%0.6562%0.622SS**Hα-helixtrans-63.8-39.6178.7-169.5176.111.500111.5S970 S971 E972 E977 A978S970-Q974 WeakPolarHBondContact O-CB 3.45Å; S970-Q974 PolarHBondContact O-N 3.16Å; S971-Q974 PolarHBondContact O-N 2.86Å; E972-Q974 PolarHBondContact O-N 3.41Å; Q974-E977 PolarHBondContact O-N 3.26Å; Q974-A978 WeakPolarHBondContact O-CB 3.22Å; Q974-A978 PolarHBondContact O-N 2.86Å
975R80.4Confident73.4Confident170 Ų170121.3 Ų121.364%0.64260%0.6SS**Hα-helixtrans-63.7-44.5173.9-169.8174.474.6132.2-7.5112S971 E972 R973 R979S971-R975 WeakPolarHBondContact O-CB 3.32Å; S971-R975 PolarHBondContact O-N 3.44Å; E972-R975 VanDerWaalsContact CD-NH2 3.3Å; E972-R975 PolarHBondContact O-N 2.95Å; E972-R975 IonicContact OE1-CZ 2.68Å; E972-R975 IonicContact OE1-NE 3.51Å; E972-R975 PolarHBondContact OE1-NE 3.19Å; E972-R975 IonicContact OE1-NH2 3.42Å; E972-R975 PolarHBondContact OE1-NH2 2.69Å; E972-R975 IonicContact OE2-NH2 3.22Å; E972-R975 PolarHBondContact OE2-NH2 3.11Å; E972-R975 VanDerWaalsContact OE2-NH2 3.14Å; R973-R975 VanDerWaalsContact C-N 3.33Å; R973-R975 PolarHBondContact O-N 2.96Å; R975-R979 PolarHBondContact O-N 3.13Å; R975-R979 VanDerWaalsContact O-N 3.1Å
976L83.6Confident75.2Confident120 Ų120121.3 Ų121.363%0.62859%0.592SS**Hα-helixtrans-67.3-40.4177.6-16473.2000112.1E972 R973 R979 K980E972-L976 WeakPolarHBondContact O-CB 3.25Å; E972-L976 PolarHBondContact O-N 3.2Å; R973-L976 PolarHBondContact O-N 2.8Å; L976-R979 PolarHBondContact O-N 2.9Å; L976-K980 PolarHBondContact O-N 3.47Å
977E83.9Confident76.3Confident90 Ų90119.9 Ų119.942%0.42159%0.587SS.*Hα-helixtrans-68.7-39.4177.9-162-168.1-157.700111.7R973 Q974 R979 K980 R981R973-E977 VanDerWaalsContact O-CB 3.28Å; R973-E977 WeakPolarHBondContact O-CB 3.47Å; R973-E977 PolarHBondContact O-N 2.8Å; Q974-E977 PolarHBondContact O-N 3.26Å; E977-R979 VanDerWaalsContact C-N 3.35Å; E977-R979 PolarHBondContact O-N 3.43Å; E977-K980 WeakPolarHBondContact O-CB 3.04Å; E977-K980 PolarHBondContact O-N 3.18Å; E977-R981 WeakPolarHBondContact O-CG 3.27Å; E977-R981 PolarHBondContact O-N 3.35Å; E977-R981 IonicContact OE1-CZ 3.15Å; E977-R981 IonicContact OE1-NH1 3.36Å; E977-R981 IonicContact OE1-NH2 2.7Å; E977-R981 PolarHBondContact OE1-NH2 3.11Å; E977-R981 IonicContact OE2-CZ 2.76Å; E977-R981 IonicContact OE2-NH1 3.6Å; E977-R981 PolarHBondContact OE2-NH1 2.87Å; E977-R981 IonicContact OE2-NH2 3.54Å; E977-R981 PolarHBondContact OE2-NH2 3.39Å
978A84.9Confident77.1Confident54 Ų54117.8 Ų117.845%0.44658%0.576SS.*Hα-helixtrans-59.5-44.3171.200000111.6Q974 K980 R981 L982Q974-A978 WeakPolarHBondContact O-CB 3.22Å; Q974-A978 PolarHBondContact O-N 2.86Å; A978-K980 VanDerWaalsContact C-N 3.33Å; A978-K980 PolarHBondContact O-N 2.68Å; A978-R981 PolarHBondContact O-N 3.36Å; A978-L982 WeakPolarHBondContact O-CB 3.11Å; A978-L982 PolarHBondContact O-N 3.26Å
979R86.7Confident77.9Confident178 Ų178113.5 Ų113.567%0.67256%0.561SS**Hα-helixtrans-62.2-38.5174.8-163.6176.4-174.7-174.71.1112R975 L976 E977 L983R975-R979 PolarHBondContact O-N 3.13Å; R975-R979 VanDerWaalsContact O-N 3.1Å; L976-R979 PolarHBondContact O-N 2.9Å; E977-R979 VanDerWaalsContact C-N 3.35Å; E977-R979 PolarHBondContact O-N 3.43Å; R979-L983 PolarHBondContact O-N 2.83Å; R979-L983 VanDerWaalsContact O-N 3.13Å
980K89.4Confident78.7Confident159 Ų159111 Ų11169%0.69156%0.557SS**Hα-helixtrans-66.4-44.4174.1-173.2-179.6178.6-177.30112.3L976 E977 A978 L983 A984L976-K980 PolarHBondContact O-N 3.47Å; E977-K980 WeakPolarHBondContact O-CB 3.04Å; E977-K980 PolarHBondContact O-N 3.18Å; A978-K980 VanDerWaalsContact C-N 3.33Å; A978-K980 PolarHBondContact O-N 2.68Å; K980-L983 PolarHBondContact O-N 3.22Å; K980-A984 PolarHBondContact O-N 3.03Å
981R88.5Confident78.9Confident148 Ų148112.7 Ų112.756%0.55856%0.564SS**Hα-helixtrans-61.1-42.8175.3-75.9-170.3179.69612111.5E977 A978 L983 A984 A985E977-R981 WeakPolarHBondContact O-CG 3.27Å; E977-R981 PolarHBondContact O-N 3.35Å; E977-R981 IonicContact OE1-CZ 3.15Å; E977-R981 IonicContact OE1-NH1 3.36Å; E977-R981 IonicContact OE1-NH2 2.7Å; E977-R981 PolarHBondContact OE1-NH2 3.11Å; E977-R981 IonicContact OE2-CZ 2.76Å; E977-R981 IonicContact OE2-NH1 3.6Å; E977-R981 PolarHBondContact OE2-NH1 2.87Å; E977-R981 IonicContact OE2-NH2 3.54Å; E977-R981 PolarHBondContact OE2-NH2 3.39Å; A978-R981 PolarHBondContact O-N 3.36Å; R981-L983 PolarHBondContact O-N 3.41Å; R981-A984 PolarHBondContact O-N 2.67Å; R981-A985 WeakPolarHBondContact O-CB 3.45Å; R981-A985 PolarHBondContact O-N 3.3Å
982L86.9Confident78.7Confident127 Ų127118.7 Ų118.767%0.66558%0.575SS**Hα-helixtrans-62.4-42.4176.6-176.862.3000112.3A978 A985 K986A978-L982 WeakPolarHBondContact O-CB 3.11Å; A978-L982 PolarHBondContact O-N 3.26Å; L982-A985 PolarHBondContact O-N 3.15Å; L982-K986 WeakPolarHBondContact O-CB 3.37Å; L982-K986 PolarHBondContact O-N 3.15Å
983L86.3Confident77.9Confident104 Ų104121.3 Ų121.355%0.54559%0.588SS.*Hα-helixtrans-65.4-38.2174.8-85.6160.2000112.8R979 K980 R981 R987R979-L983 PolarHBondContact O-N 2.83Å; R979-L983 VanDerWaalsContact O-N 3.13Å; K980-L983 PolarHBondContact O-N 3.22Å; R981-L983 PolarHBondContact O-N 3.41Å; L983-R987 PolarHBondContact O-N 3.24Å; L983-R987 VanDerWaalsContact O-N 3.17Å
984A83.1Confident76.8Confident58 Ų58117.1 Ų117.148%0.47958%0.584SS.*Hα-helixtrans-66.5-45.9174.200000111.9K980 R981 K986 R987 A988K980-A984 PolarHBondContact O-N 3.03Å; R981-A984 PolarHBondContact O-N 2.67Å; A984-K986 VanDerWaalsContact C-N 3.33Å; A984-K986 PolarHBondContact O-N 3.23Å; A984-R987 PolarHBondContact O-N 3.22Å; A984-A988 PolarHBondContact O-N 2.93Å
985A81.2Confident75.5Confident58 Ų58113.9 Ų113.948%0.47958%0.576SS.*Hα-helixtrans-60.5-40.7175.500000112R981 L982 R987 A988 A989R981-A985 WeakPolarHBondContact O-CB 3.45Å; R981-A985 PolarHBondContact O-N 3.3Å; L982-A985 PolarHBondContact O-N 3.15Å; A985-R987 VanDerWaalsContact C-N 3.34Å; A985-R987 PolarHBondContact O-N 3.4Å; A985-A988 PolarHBondContact O-N 3.05Å; A985-A989 WeakPolarHBondContact O-CB 3.31Å; A985-A989 PolarHBondContact O-N 2.78Å
986K84.5Confident74.2Confident160 Ų160109 Ų10970%0.69657%0.573SS**Hα-helixtrans-62.8-37.6175.4-171.1171.7-178.7176.60112.5L982 A984 S990L982-K986 WeakPolarHBondContact O-CB 3.37Å; L982-K986 PolarHBondContact O-N 3.15Å; A984-K986 VanDerWaalsContact C-N 3.33Å; A984-K986 PolarHBondContact O-N 3.23Å; K986-S990 WeakPolarHBondContact O-CB 3.15Å; K986-S990 PolarHBondContact O-N 2.98Å
987R77.2Confident72.7Confident194 Ų194108.7 Ų108.773%0.73258%0.576SS**Hα-helixtrans-66.6-46.6171.6-75.5-176179149.50112L983 A984 A985 A989 S990 V991L983-R987 PolarHBondContact O-N 3.24Å; L983-R987 VanDerWaalsContact O-N 3.17Å; A984-R987 PolarHBondContact O-N 3.22Å; A985-R987 VanDerWaalsContact C-N 3.34Å; A985-R987 PolarHBondContact O-N 3.4Å; R987-A989 VanDerWaalsContact C-N 3.33Å; R987-A989 PolarHBondContact O-N 3.35Å; R987-S990 WeakPolarHBondContact O-CB 3.48Å; R987-S990 PolarHBondContact O-N 3.27Å; R987-S990 VanDerWaalsContact O-N 3.16Å; R987-V991 WeakPolarHBondContact O-CG2 3.23Å; R987-V991 PolarHBondContact O-N 3.42Å
988A70.8Confident71.1Confident54 Ų54112.5 Ų112.545%0.44659%0.594SS.*Hα-helixtrans-61.8-39.1179.300000112.6A984 A985 R992A984-A988 PolarHBondContact O-N 2.93Å; A985-A988 PolarHBondContact O-N 3.05Å; A988-R992 WeakPolarHBondContact O-CG 3.43Å; A988-R992 PolarHBondContact O-N 2.94Å
989A67.4Low69.5Low57 Ų57114.8 Ų114.847%0.47161%0.606SS.*Hα-helixtrans-66.3-40.917300000112.3A985 R987 R992 Q993A985-A989 WeakPolarHBondContact O-CB 3.31Å; A985-A989 PolarHBondContact O-N 2.78Å; R987-A989 VanDerWaalsContact C-N 3.33Å; R987-A989 PolarHBondContact O-N 3.35Å; A989-R992 PolarHBondContact O-N 3.16Å; A989-Q993 PolarHBondContact O-N 2.91Å
990S67.2Low67.9Low66 Ų66109.7 Ų109.746%0.46260%0.602SS.*Hα-helixtrans-61.2-43.8175.6-167.50000112.1K986 R987 R992 Q993 S994K986-S990 WeakPolarHBondContact O-CB 3.15Å; K986-S990 PolarHBondContact O-N 2.98Å; R987-S990 WeakPolarHBondContact O-CB 3.48Å; R987-S990 PolarHBondContact O-N 3.27Å; R987-S990 VanDerWaalsContact O-N 3.16Å; S990-R992 VanDerWaalsContact C-N 3.3Å; S990-R992 PolarHBondContact O-N 3.16Å; S990-Q993 PolarHBondContact O-N 2.76Å; S990-Q993 VanDerWaalsContact O-N 3.11Å; S990-S994 PolarHBondContact O-N 3.28Å; S990-S994 PolarHBondContact O-OG 3.46Å
991V61Low66.1Low96 Ų96110.2 Ų110.258%0.58261%0.613SS**Hα-helixtrans-61-39.8176.9171.80000111.1R987 Q993 S994 S995R987-V991 WeakPolarHBondContact O-CG2 3.23Å; R987-V991 PolarHBondContact O-N 3.42Å; V991-Q993 VanDerWaalsContact C-N 3.26Å; V991-Q993 PolarHBondContact O-N 2.93Å; V991-S994 PolarHBondContact O-N 3.32Å; V991-S994 VanDerWaalsContact O-N 3.16Å; V991-S995 PolarHBondContact O-N 2.75Å; V991-S995 PolarHBondContact O-OG 3.24Å
992R59.9Low64.3Low200 Ų200108 Ų10876%0.75562%0.62SS**Hα-helixtrans-67.8-20.7176-71.2-179.7-179.8-153.9-1.4114.4A988 A989 S990 S995A988-R992 WeakPolarHBondContact O-CG 3.43Å; A988-R992 PolarHBondContact O-N 2.94Å; A989-R992 PolarHBondContact O-N 3.16Å; S990-R992 VanDerWaalsContact C-N 3.3Å; S990-R992 PolarHBondContact O-N 3.16Å; R992-S995 PolarHBondContact O-OG 2.76Å
993Q57Low62.6Low151 Ų151108.8 Ų108.871%0.70662%0.623SS**Hα-helixtrans-81.8-38.3168.6-72-171.3-49.100111.5A989 S990 V991 A996A989-Q993 PolarHBondContact O-N 2.91Å; S990-Q993 PolarHBondContact O-N 2.76Å; S990-Q993 VanDerWaalsContact O-N 3.11Å; V991-Q993 VanDerWaalsContact C-N 3.26Å; V991-Q993 PolarHBondContact O-N 2.93Å; Q993-A996 PolarHBondContact O-N 3.2Å
994S51.7Low60.9Low76 Ų76113.2 Ų113.253%0.53164%0.641SS.*Hα-helixtrans-63.2-40.1175.6-57.50000112.9S990 V991 A996 T997S990-S994 PolarHBondContact O-N 3.28Å; S990-S994 PolarHBondContact O-OG 3.46Å; V991-S994 PolarHBondContact O-N 3.32Å; V991-S994 VanDerWaalsContact O-N 3.16Å; S994-A996 PolarHBondContact O-N 3.45Å; S994-T997 PolarHBondContact O-OG1 2.76Å
995S53.9Low59.3Low71 Ų71117.3 Ų117.350%0.49765%0.654SS.*THydrogen-bonded Turntrans-74.3-5.7178.564.80000114.3V991 R992V991-S995 PolarHBondContact O-N 2.75Å; V991-S995 PolarHBondContact O-OG 3.24Å; R992-S995 PolarHBondContact O-OG 2.76Å
996A52.7Low57.3Low69 Ų69124.2 Ų124.257%0.5767%0.669SS**THydrogen-bonded Turntrans-92.4-2.5-178.900000113.5Q993 S994Q993-A996 PolarHBondContact O-N 3.2Å; S994-A996 PolarHBondContact O-N 3.45Å
997T52.5Low55.6Low113 Ų113123.3 Ų123.369%0.69367%0.67SS**SBendtrans-114.9-1.8-178.6520000114.1S994S994-T997 PolarHBondContact O-OG1 2.76Å
998E50.9Low54.2Low170 Ų170118.6 Ų118.679%0.79467%0.665SS**SBendtrans-92.7-19.4-176.6-164.2170.4172.700112.8
999S51.6Low53.1Low101 Ų101125 Ų12571%0.70669%0.686SS**THydrogen-bonded Turntrans-98.427.2-17667.40000114.3
1000A52.6Low52.1Low71 Ų71127.2 Ų127.259%0.58770%0.703SS**THydrogen-bonded Turntrans-110.6-12.9-175.500000114.1S1002A1000-S1002 VanDerWaalsContact C-N 3.26Å; A1000-S1002 PolarHBondContact O-N 3.38Å
1001D51.5Low50.9Low170 Ų170132.7 Ų132.791%0.90972%0.722SS**SBendtrans-90.227.3-167.3-139.520.4000113.4
1002S49.6Very low50.3Low103 Ų103134.8 Ų134.872%0.7274%0.735SS**  trans-143.367.5-175.968.10000112.2A1000A1000-S1002 VanDerWaalsContact C-N 3.26Å; A1000-S1002 PolarHBondContact O-N 3.38Å
1003I51.2Low49.8Very low142 Ų142136 Ų13673%0.72874%0.74SS**  trans-129.7102.7167.6-57.4-180000108.2I1005I1003-I1005 PolarHBondContact O-N 3.45Å
1004E51.5Low49Very low197 Ų197139.8 Ų139.892%0.92176%0.763SS**  trans-71.6122.3170.4-64.7-176.7144.200109.5Y1006E1004-Y1006 PolarHBondContact O-N 3.31Å
1005I49.5Very low48.9Very low145 Ų145143 Ų14374%0.74478%0.775SS**  trans-90.4100.9-178.9-58.4178.7000109.1I1003 I1007I1003-I1005 PolarHBondContact O-N 3.45Å; I1005-I1007 PolarHBondContact O-N 3.47Å
1006Y39.3Very low48.6Very low202 Ų202146.8 Ų146.879%0.79279%0.79SS**PPolyproline II helixtrans-68.5124.1169.3-179.4-96.2000110.4E1004 P1008E1004-Y1006 PolarHBondContact O-N 3.31Å; Y1006-P1008 HydrophobicContact CD1-CG 4.39Å; Y1006-P1008 HydrophobicContact CE1-CG 4.35Å
1007I49.1Very low48.4Very low141 Ų141151.1 Ų151.172%0.72380%0.802SS**PPolyproline II helixtrans-100.1116.7177.4-57.6175.4000108.5I1005I1005-I1007 PolarHBondContact O-N 3.47Å
1008P47.3Very low48.1Very low96 Ų96153.4 Ų153.462%0.62381%0.808SS**PPolyproline II helixtrans-73.3133.4171.2-13.329.2000110.8Y1006 A1010Y1006-P1008 HydrophobicContact CD1-CG 4.39Å; Y1006-P1008 HydrophobicContact CE1-CG 4.35Å; P1008-A1010 PolarHBondContact O-N 3.31Å
1009E47.9Very low47.9Very low189 Ų189152.3 Ų152.388%0.88381%0.809SS**PPolyproline II helixtrans-67.7118.9171.1-67.3-175.6120.600110.9Q1011E1009-Q1011 PolarHBondContact O-N 3.38Å
1010A45.6Very low47.7Very low102 Ų102155.7 Ų155.784%0.84382%0.816SS**  trans-79.8109.1168.600000109.5P1008P1008-A1010 PolarHBondContact O-N 3.31Å
1011Q43.2Very low47.4Very low181 Ų181161.8 Ų161.885%0.84683%0.832SS**  trans-66.8137.8-176.2-70.4-176.3-32.900113.2E1009 R1013E1009-Q1011 PolarHBondContact O-N 3.38Å; Q1011-R1013 PolarHBondContact O-N 2.75Å
1012T48.3Very low47Very low140 Ų140161.2 Ų161.286%0.85983%0.826SS**  trans-75.2104.6172.537.10000112.2
1013R49.3Very low46.8Very low227 Ų227166 Ų16686%0.85784%0.835SS**  trans-146.4139.2154.1-63.9-167.8-179.8-161-2.5108.5Q1011Q1011-R1013 PolarHBondContact O-N 2.75Å
1014L39.8Very low46.4Very low230 Ų230168.2 Ų168.2100%1.20485%0.845SS**  cis-143.301.8-134.7169000109

Retrieved 1,014 of 1,014 residues in 103.5 ms (Link to these results)