A0A087X2T6_POEFO Loading...

POU domain protein

AlphaFold DB , UniProt , Accession A0A087X2T6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 708 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1I32.8Very low34.3Very low210 Ų210150 Ų150100%1.07781%0.809SS**  0118.10-50.9174.6000105.9
2Y32.2Very low33.8Very low208 Ų208152.8 Ų152.882%0.81681%0.812SS**  cis-161.8165.3-13.9-110-42.9000104.3
3L34.6Very low33.5Very low142 Ų142154.7 Ų154.774%0.74381%0.809SS**  cis-152.6161.16.3-143.9140.1000107.7
4G35.5Very low33.1Very low54 Ų54153.4 Ų153.456%0.55781%0.811SS**  trans-72.9-178.5165.200000112.6
5P53.4Low32.9Very low140 Ų140148.8 Ų148.891%0.90980%0.804SS**  -138.9171.890.638.9-27.6000114.6
6A36.7Very low33Very low96 Ų96147.6 Ų147.679%0.79380%0.803SS**  trans-136.4146.2179.300000111.7
7L32.4Very low33Very low163 Ų163146.5 Ų146.585%0.85381%0.805SS**  trans-161.9106.1164.2-92.4162.2000105.8
8K32.3Very low33Very low187 Ų187146.4 Ų146.481%0.81380%0.798SS**  89.9112.971.7-94.6-167.4174.5178.40115.1
9L29.3Very low32.9Very low147 Ų147145.7 Ų145.777%0.7780%0.799SS**  trans37.9125.5141.4-95.467.9000120.8
10V29Very low32.8Very low142 Ų142142.6 Ų142.686%0.86179%0.787SS**  -133.1138.6116.5177.10000108.8
11F29.2Very low32.8Very low161 Ų161145 Ų14571%0.70679%0.79SS**  trans-102.1147.3171.7-125.8-93.2000108.8K13F11-K13 HydrophobicContact CD1-CB 4.46Å
12H28.5Very low32.8Very low183 Ų183140.6 Ų140.685%0.84777%0.768SS**  trans-136.6135.8151.9-11551.6000111.4
13K29.2Very low32.7Very low178 Ų178139.7 Ų139.777%0.77476%0.762SS**  trans-143.9123.1-172.3171.8-179.7178.5177.60106.3F11F11-K13 HydrophobicContact CD1-CB 4.46Å
14T28.8Very low32.3Very low137 Ų137139.4 Ų139.484%0.8476%0.762SS**  trans-120.7133.5177.9-39.80000108.2
15A29.7Very low32.2Very low84 Ų84141 Ų14169%0.69475%0.754SS**  trans-114.2164.9-168.700000112.5
16V34Very low31Very low130 Ų130143.8 Ų143.879%0.78875%0.751SS**  trans-62.7140.3171.5176.40000110.9
17P33.4Very low30.7Very low129 Ų129145.7 Ų145.784%0.83875%0.748SS**  trans-89.9121.8157.533.3-27.6000110.4
18E32.6Very low32Very low145 Ų145142.7 Ų142.768%0.67874%0.738SS**  trans-122.6145.9168.4-167.5-115119.400108.9S20E18-S20 PolarHBondContact OE1-OG 3.41Å
19T32.3Very low31.5Very low133 Ų133139.3 Ų139.382%0.81674%0.739SS**  trans166.6154.9154.729.60000109.4
20S30.8Very low31.4Very low82 Ų82137.5 Ų137.557%0.57374%0.738SS**  cis175.2177.8-29.6-110.70000107.9E18E18-S20 PolarHBondContact OE1-OG 3.41Å
21K31.5Very low31.4Very low194 Ų194136.6 Ų136.684%0.84373%0.733SS**  trans96.3137.9162-58.9174.7-177.5170.40116.9
22I32.8Very low31.3Very low118 Ų118137.3 Ų137.361%0.60574%0.735SS**  cis-165.3154-7.7-126.2166.6000114.4
23R31Very low31.3Very low188 Ų188136.1 Ų136.171%0.70973%0.732SS**  trans70158.7158.5-79.4170.3-157.8155.26.2119.8
24N26.4Very low31.3Very low137 Ų137137 Ų13773%0.73373%0.732SS**  cis-136.6172.89.3-145.5-6.6000116
25K32.3Very low31.5Very low88 Ų88137.1 Ų137.138%0.38373%0.726SS.*  trans-126.1133.2-164.4165.7161.9-162.8169.80113.4G304 Q305K25-G304 PolarHBondContact NZ-O 2.8Å; K25-Q305 HydrophobicContact CB-CB 4Å; K25-Q305 HydrophobicContact CD-CB 3.78Å; K25-Q305 HydrophobicContact CD-CG 3.73Å; K25-Q305 HydrophobicContact CG-CB 4.03Å; K25-Q305 HydrophobicContact CG-CG 4.06Å
26K29.5Very low31.3Very low197 Ų197138.5 Ų138.586%0.85773%0.73SS**  trans-169.6155144.3-116.4175-179.6-177.50115.5
27N29.9Very low31.4Very low136 Ų136136.4 Ų136.473%0.72773%0.727SS**  trans-168.7-179.4178.2-142.78.4000105.7
28P58.9Low31.2Very low100 Ų100137.6 Ų137.665%0.64973%0.726SS**  cis-128.3-167.6-26.542-26.8000112
29S23.6Very low31.2Very low117 Ų117137.8 Ų137.882%0.81873%0.73SS**  trans-174.3136.5135-86.90000116.1
30S26.4Very low31.8Very low109 Ų109142 Ų14276%0.76273%0.731SS**  trans54.4121.2149.3-147.40000122.1
31V28.4Very low31.7Very low123 Ų123147.2 Ų147.275%0.74575%0.749SS**  -178.6132.595.1156.40000111.7
32K28.3Very low31.7Very low175 Ų175143.5 Ų143.576%0.76175%0.748SS**  trans15.7125159.8-60.3178.4179.1179.20121.2
33M28.4Very low31.7Very low159 Ų159147.8 Ų147.878%0.78376%0.762SS**  trans-77148.4154.7-72.3-90.8-78.400111.3I35M33-I35 HydrophobicContact CE-CD1 3.74Å; M33-I35 HydrophobicContact CE-CG1 4.26Å
34Y27.9Very low31.6Very low197 Ų197142.8 Ų142.877%0.77376%0.76SS**  trans-126119.8157.4-95.8-86.5000109.1
35I33.7Very low32.6Very low139 Ų139142.7 Ų142.771%0.71377%0.767SS**  trans-129.4124.4162.8-62.9177.9000105.4M33M33-I35 HydrophobicContact CE-CD1 3.74Å; M33-I35 HydrophobicContact CE-CG1 4.26Å
36S25.9Very low32.5Very low112 Ų112141.2 Ų141.278%0.78378%0.777SS**  trans-128.7119173.9-62.80000108.9
37A35.3Very low32.6Very low86 Ų86140.5 Ų140.571%0.71178%0.777SS**  trans-144.5112.9169.300000106.8
38D29.6Very low32.5Very low154 Ų154142.9 Ų142.982%0.82478%0.784SS**  trans-173.4149.8-179.5-99.8-23.9000107.3
39I33.2Very low31.2Very low150 Ų150144.8 Ų144.877%0.76979%0.789SS**  cis-150.9170.5-8.4-145.1161.8000109.8
40R44.2Very low32.4Very low221 Ų221145 Ų14583%0.83479%0.787SS**  trans-75.9171176-50.8-177.1-170.2-175.14.3112.1
41M28.7Very low32.5Very low191 Ų191143.2 Ų143.294%0.94179%0.786SS**  trans-141.5130.6140-121.4179-17800113.6
42S31.8Very low32.7Very low117 Ų117142.5 Ų142.582%0.81879%0.793SS**  trans-154139.9166.2-54.10000106.7
43K33.2Very low32.6Very low208 Ų208143.6 Ų143.690%0.90480%0.801SS**  trans-119.9145.9-167.9-178.780.2175.9-174.30110
44A29.1Very low32.5Very low82 Ų82146.2 Ų146.268%0.67880%0.804SS**  trans-125.7156.217000000110.5
45P46.6Very low33.7Very low135 Ų135142.3 Ų142.388%0.87780%0.802SS**  trans-113.2173.5-175.842-33.5000114.9
46G29.5Very low33.7Very low58 Ų58138.7 Ų138.760%0.59880%0.799SS**  trans127131.6169.300000112.4
47E31.9Very low33.9Very low182 Ų182141.4 Ų141.485%0.8581%0.805SS**  cis-124.1-144.9-1.4-58-71.85100109.5
48E28.6Very low33.8Very low185 Ų185139.9 Ų139.986%0.86480%0.797SS**  cis-156.4-154.46.8-146.8-171.6-5700111.7
49N31.9Very low34.3Very low141 Ų141138.4 Ų138.475%0.75480%0.799SS**  trans-102.5172.1-174.4-88.2-81.6000113.9
50P48.7Very low34.1Very low120 Ų120138 Ų13878%0.77980%0.799SS**  cis-120.5-171.4-4.439.6-24000112.4
51G28.2Very low33.7Very low72 Ų72131.6 Ų131.674%0.74279%0.788SS**  cis121.599.7-5.200000114.7
52A32.5Very low33.8Very low109 Ų109129 Ų12990%0.90178%0.778SS**  trans-160.117617100000112.5
53E24.8Very low33.9Very low198 Ų198134.2 Ų134.293%0.92578%0.779SS**  trans-71.5168.5-157-67.3169.887.700120.3
54Y27.8Very low33.7Very low214 Ų214131.3 Ų131.384%0.83977%0.774SS**  trans-75.5-176.4169-116.1-121.5000111.8
55P52.8Low33.6Very low115 Ų115132 Ų13275%0.74777%0.774SS**  cis-140.4159.213.340.1-20.9000119.9
56G33.5Very low33.9Very low63 Ų63130.4 Ų130.465%0.64976%0.764SS**  trans69.6158.1143.400000120.1
57D29.2Very low33.8Very low169 Ų169134.3 Ų134.390%0.90477%0.771SS**  cis-168.5166.4-18.6-141-125.5000107.8
58G33.3Very low33.8Very low53 Ų53131.9 Ų131.955%0.54676%0.763SS.*  cis175.9172.9-0.500000111.2
59S41Very low33.7Very low124 Ų124130.8 Ų130.887%0.86776%0.758SS**  trans66.3151.9-174.2-50.70000115.5
60D28.7Very low33.6Very low142 Ų142131.2 Ų131.276%0.75976%0.76SS**  cis-146.4154.620-163.4-104.5000113.9
61S36.4Very low32.6Very low86 Ų86134.4 Ų134.460%0.60176%0.764SS**  trans42.996.5161.7-59.90000122.3
62D29.9Very low32.4Very low137 Ų137136.2 Ų136.273%0.73376%0.761SS**  40.2136.1119.9-65.7-64000123.6
63R34.2Very low32.1Very low225 Ų225138.1 Ų138.185%0.84975%0.751SS**  cis79.5141.639.1-70.8179.6164.1174.6-2.8114.8
64N29.2Very low32.1Very low147 Ų147136.3 Ų136.379%0.78674%0.74SS**  cis-153176.2-7.2-158.38.5000112.6
65S27.2Very low32Very low97 Ų97132.7 Ų132.768%0.67873%0.733SS**  trans-66.4-166.3161-140.40000112.3
66P52.5Low30.8Very low102 Ų102138 Ų13866%0.66274%0.738SS**  cis-149.6-170.412.442.6-18.7000119.9
67D28.4Very low30.5Very low140 Ų140140.5 Ų140.575%0.74975%0.745SS**  trans70.4100.6142.8-86.9-134.1000126.3
68D31.4Very low30.3Very low130 Ų130140.6 Ų140.670%0.69575%0.745SS**  38.1119.2105.5-130.5-48.4000123.6
69Q26.8Very low30.3Very low162 Ų162143.2 Ų143.276%0.75776%0.755SS**  167.8118.3109.7-91.3-178.58500116.6
70L29.3Very low30.1Very low151 Ų151143 Ų14379%0.79175%0.75SS**  trans31.7116.4143.7-68.6163.5000122.7
71Q26.3Very low30Very low186 Ų186142.8 Ų142.887%0.86976%0.755SS**  -165.1121.2121.8-110.9-173.751.200116.7
72V25.6Very low29.8Very low110 Ų110143.4 Ų143.467%0.66777%0.765SS**  52.3121.9126.9177.80000122.7
73Q25.2Very low29.9Very low149 Ų149142.1 Ų142.170%0.69677%0.773SS**  trans92113.3146.3-92.6-176.499.500124.7
74K25.5Very low29.8Very low161 Ų161134.6 Ų134.670%0.777%0.765SS**  89.9126.5121.5-99.5-175-1771490124.4
75M26.5Very low30.1Very low138 Ų138133.5 Ų133.568%0.6877%0.769SS**  trans85.3116.3136.4-67.6-141.3-68.200122.9
76R27.7Very low30.2Very low226 Ų226137.8 Ų137.885%0.85378%0.776SS**  trans65.7113.1132.2-69.9-177.2170.1163-2.3119.8
77S25.1Very low29.3Very low115 Ų115139 Ų13980%0.80478%0.781SS**  trans-73.7149.8158.5460000113.4
78L26.9Very low29.2Very low171 Ų171140.9 Ų140.990%0.89578%0.783SS**  trans-148.1157.7146.7-84.4-170.2000111
79S31.8Very low29.2Very low109 Ų109138.5 Ų138.576%0.76278%0.776SS**  trans-47.9160.4-171.5-44.30000119.4
80P38Very low29.2Very low118 Ų118137.3 Ų137.377%0.76678%0.775SS**  -138179.3116.139.1-29000112.9
81T25.8Very low29.1Very low139 Ų139137.8 Ų137.885%0.85377%0.773SS**  cis-166.9161.1-36.3-78.90000107
82A32.6Very low29.2Very low98 Ų98133.2 Ų133.281%0.8176%0.762SS**  trans-114.2157.9-169.400000116.2
83A32.7Very low29.3Very low110 Ų110133.6 Ų133.691%0.90977%0.769SS**  trans-173.7154.3155.900000110.5
84G31.6Very low29.4Very low67 Ų67134.7 Ų134.769%0.69177%0.772SS**  cis156.8153.6-13.400000115
85S35.6Very low29.7Very low124 Ų124133.2 Ų133.287%0.86777%0.77SS**  trans89.2155.8168.5-32.90000117.8
86K29.4Very low29.8Very low188 Ų188132.2 Ų132.282%0.81777%0.772SS**  cis-164.9163.910.2-148.4-176.6174.1-178.80114.6
87V32.6Very low29.9Very low127 Ų127128.8 Ų128.877%0.7777%0.765SS**  trans77.4147.8157.1178.70000119.4
88K27.6Very low30Very low180 Ų180128.6 Ų128.678%0.78376%0.764SS**  cis-177.1155-36.2-163.3-162163.5-163.50111.4
89S30.8Very low30.1Very low80 Ų80125.2 Ų125.256%0.55976%0.76SS**  trans112.6131.6136.3-98.20000123.7
90D26.7Very low30Very low137 Ų137125.1 Ų125.173%0.73377%0.767SS**  trans59.4155.3143.1-64.6-110.9000122.4
91E27.3Very low29.8Very low160 Ų160124.1 Ų124.175%0.74877%0.768SS**  cis-167159.5-18.9170.864118.900111.6
92S27.8Very low30Very low90 Ų90124.6 Ų124.663%0.62977%0.771SS**  trans-21.5146.2178.2-69.40000125.2
93S28.8Very low29.9Very low118 Ų118124.2 Ų124.283%0.82577%0.767SS**  161.6154.5122.7-77.90000114.9
94K27.1Very low30.4Very low173 Ų173124.9 Ų124.975%0.75276%0.762SS**  cis-169.7108.8-24.8-177174.8-179.8-72.20113.8
95I31.1Very low30.2Very low129 Ų129126.2 Ų126.266%0.66277%0.767SS**  trans57.7135.8142.8-49.4170.1000122
96T28.5Very low29.8Very low117 Ų117124.9 Ų124.972%0.71876%0.763SS**  trans143.3141.8137.750.30000112
97H29.2Very low29.9Very low155 Ų155120.7 Ų120.772%0.71876%0.763SS**  cis-154.9138.3-9.8-121.6-52.1000113.2
98S29Very low30.1Very low110 Ų110120.2 Ų120.277%0.76976%0.763SS**  trans64.2166.7144.7-58.50000122
99A28.8Very low30.6Very low100 Ų100117.6 Ų117.683%0.82676%0.764SS**  trans-151.7-168.5-170.100000111.6
100A29.3Very low30.7Very low108 Ų108119.3 Ų119.389%0.89378%0.776SS**  trans114.2153.5169.300000115.4
101A32.8Very low31.3Very low97 Ų97122 Ų12280%0.80279%0.785SS**  trans-124.8147.4-169.100000112.5
102V29.9Very low31.7Very low149 Ų149124 Ų12490%0.90379%0.794SS**  trans-144144.3168.3-179.60000108.1
103A31.5Very low32.2Very low89 Ų89129 Ų12974%0.73681%0.807SS**  trans-119.6154.4171.900000110.4
104P42Very low32.7Very low125 Ų125132.8 Ų132.881%0.81281%0.812SS**  trans-145150.413635.9-20.5000116.7
105A27.5Very low33.3Very low95 Ų95134 Ų13479%0.78582%0.821SS**  trans62.2106.7139.900000123.3
106A27.9Very low33.7Very low96 Ų96137.4 Ų137.479%0.79383%0.833SS**  67.5110.1117.900000123.6
107A31.9Very low34.4Very low99 Ų99140.6 Ų140.682%0.81884%0.84SS**  trans58.1153.7134.300000121
108P36.8Very low35Very low118 Ų118140.9 Ų140.977%0.76684%0.842SS**  cis-119.8174.711.142.1-29.6000115.1
109P38.8Very low35.6Very low124 Ų124140.1 Ų140.181%0.80584%0.842SS**  trans-90.8148.1-178.935-34.4000114.3
110S31.1Very low35.9Very low116 Ų116142.8 Ų142.881%0.81184%0.838SS**  trans-148.8114.4169.5-75.70000113
111Q39.3Very low36.4Very low194 Ų194144.5 Ų144.591%0.90783%0.827SS**  trans16.5100.1156.5-58.21780.200119.7
112Q36.6Very low36.7Very low201 Ų201146.5 Ų146.594%0.93982%0.819SS**  trans-170.883.6138.9-111.7-18015.300112.6
113Q37.4Very low37.3Very low196 Ų196145.8 Ų145.892%0.91681%0.806SS**  trans-155.263.8172.8-157.3175.718.900114.2
114Q39.4Very low37.8Very low198 Ų198146 Ų14693%0.92580%0.798SS**  trans-15145.8176-147.3173.52800115.4
115Q39.7Very low37.8Very low199 Ų199146.8 Ų146.893%0.9379%0.791SS**SBendtrans-143.830.5180-142.1171.842.500116.2
116Q40.9Very low38.8Very low199 Ų199149.1 Ų149.193%0.9379%0.79SS**SBendtrans-137.322.3-178.6-138.5174.731.200116.1
117Q42.7Very low39.7Very low184 Ų184150.5 Ų150.586%0.8678%0.781SS**SBendtrans-122.3-3.5-177.7-131.9168.824.200115.7
118Q41.5Very low40.7Very low162 Ų162152.7 Ų152.776%0.75778%0.778SS**SBendtrans-88.8-17.9-174.1-141165.28.800114.2Q120Q118-Q120 PolarHBondContact O-N 3.39Å
119A40.8Very low41.1Very low94 Ų94151.2 Ų151.278%0.77778%0.776SS**THydrogen-bonded Turntrans-74.6-16.4-175.100000115.2
120Q36.7Very low41.5Very low156 Ų156148.5 Ų148.573%0.72977%0.77SS**THydrogen-bonded Turntrans-85.9-31.1-178.9-80.5-77.9-80.800113.5Q118 H122Q118-Q120 PolarHBondContact O-N 3.39Å; Q120-H122 PolarHBondContact O-N 3.42Å
121H39.4Very low42.2Very low144 Ų144147.1 Ų147.167%0.66776%0.761SS**Hα-helixtrans-75.4-28.2-165.6-136.7-81.8000114.2
122H39.3Very low42.4Very low138 Ų138146.8 Ų146.864%0.63976%0.759SS**Hα-helixtrans-71.4-28.9-178.2-75.3-108.7000113.5Q120Q120-H122 PolarHBondContact O-N 3.42Å
123H41.3Very low43Very low135 Ų135144.7 Ų144.763%0.62575%0.754SS**Hα-helixtrans-75-39.7-176.6-163.873.8000112
124T43.8Very low43.2Very low93 Ų93141 Ų14157%0.57176%0.756SS**Hα-helixtrans-68.5-38.9-179.4-51.60000112.5L126 M127 L128T124-L126 VanDerWaalsContact C-N 3.32Å; T124-L126 PolarHBondContact O-N 3.46Å; T124-M127 PolarHBondContact O-N 3.17Å; T124-L128 PolarHBondContact O-N 3.11Å
125Q41.3Very low43.4Very low142 Ų142134.5 Ų134.566%0.66474%0.743SS**Hα-helixtrans-68.8-30.2-177-162.116730.700112.8A129Q125-A129 PolarHBondContact O-N 3.13Å
126L49.2Very low43.5Very low144 Ų144132.4 Ų132.475%0.75474%0.737SS**Hα-helixtrans-71.5-25.4174.6-102.1165.7000113.7T124T124-L126 VanDerWaalsContact C-N 3.32Å; T124-L126 PolarHBondContact O-N 3.46Å
127M46.3Very low43.7Very low125 Ų125128.4 Ų128.462%0.61674%0.738SS**Hα-helixtrans-79.3-33.6173.6-89.6-174.7-81.900113T124 G130T124-M127 PolarHBondContact O-N 3.17Å; M127-G130 PolarHBondContact O-N 3.17Å
128L52.4Low43.8Very low144 Ų144123.9 Ų123.975%0.75473%0.732SS**Hα-helixtrans-80.6-17.9-177-156.465.4000113.7T124 G130T124-L128 PolarHBondContact O-N 3.11Å; L128-G130 VanDerWaalsContact C-N 3.34Å
129A45Very low44.2Very low88 Ų88123.1 Ų123.173%0.72773%0.732SS**THydrogen-bonded Turntrans-82-7.9172.200000114Q125Q125-A129 PolarHBondContact O-N 3.13Å
130G47Very low45.1Very low66 Ų66124 Ų12468%0.6872%0.724SS**THydrogen-bonded Turntrans-89.3-1.4-173.400000116.3M127 L128M127-G130 PolarHBondContact O-N 3.17Å; L128-G130 VanDerWaalsContact C-N 3.34Å
131S46.5Very low45.9Very low87 Ų87121.8 Ų121.861%0.60872%0.722SS**SBendtrans-11215-159.359.60000117
132Q43.8Very low46.5Very low187 Ų187118.4 Ų118.487%0.87472%0.719SS**SBendtrans-139.859.4171.3-73.2-156.293.900114.4
133L48.9Very low47.3Very low157 Ų157118.2 Ų118.282%0.82272%0.719SS**  trans-150.543.1159.7-152.475.3000114.1G135L133-G135 PolarHBondContact O-N 3.31Å
134A41.7Very low48.2Very low118 Ų118118.5 Ų118.598%0.97572%0.72SS**  trans-78.361.8176.300000112.3
135G44.3Very low49.1Very low62 Ų62120.6 Ų120.664%0.63972%0.724SS**SBendtrans169.165.4178.900000117.2L133L133-G135 PolarHBondContact O-N 3.31Å
136L41.6Very low50.6Low156 Ų156119.4 Ų119.482%0.81772%0.722SS**  trans-170.348156-108165.7000112.2A138L136-A138 VanDerWaalsContact C-N 3.33Å; L136-A138 PolarHBondContact O-N 3.34Å
137A43.9Very low51.7Low115 Ų115118 Ų11895%0.9571%0.714SS**THydrogen-bonded Turntrans-79.865.9-171.500000114.1
138A45Very low53.1Low88 Ų88117.8 Ų117.873%0.72772%0.715SS**THydrogen-bonded Turntrans-133.9-6.9-178.200000116.2L136L136-A138 VanDerWaalsContact C-N 3.33Å; L136-A138 PolarHBondContact O-N 3.34Å
139L50.2Low54.3Low146 Ų146116.6 Ų116.676%0.76471%0.705SS**  trans-145.551-164.8-116.4166.9000114.2
140L60Low55.5Low114 Ų114118.2 Ų118.260%0.59770%0.698SS**  trans-115.89.8-166.7-139.270.7000120.8
141P53.3Low56.6Low108 Ų108117.7 Ų117.770%0.70169%0.687SS**Hα-helixtrans-72.5-48.7166.3-18.932.4000112.9Q145P141-Q145 PolarHBondContact O-N 3.13Å
142A52.7Low57.6Low73 Ų73120 Ų12060%0.60369%0.688SS**Hα-helixtrans-71.8-41.1-16600000114.1Q144 Q145 L146A142-Q144 VanDerWaalsContact C-N 3.34Å; A142-Q144 PolarHBondContact O-N 3.29Å; A142-Q145 WeakPolarHBondContact O-CB 3.42Å; A142-Q145 PolarHBondContact O-N 3.34Å; A142-L146 PolarHBondContact O-N 2.86Å
143Q55.7Low58.9Low135 Ų135113.8 Ų113.863%0.63167%0.669SS**Hα-helixtrans-67.5-35.8-178.2-163-159.851.500112Q145 L146 L147Q143-Q145 VanDerWaalsContact C-N 3.35Å; Q143-L146 PolarHBondContact O-N 3.45Å; Q143-L147 PolarHBondContact O-N 3.22Å
144Q59.3Low59.9Low140 Ų140113.2 Ų113.265%0.65466%0.662SS**Hα-helixtrans-65.1-39.4177.2-174.9170.7101.500111.6A142 L147 L148A142-Q144 VanDerWaalsContact C-N 3.34Å; A142-Q144 PolarHBondContact O-N 3.29Å; Q144-L147 PolarHBondContact O-N 3Å; Q144-L148 PolarHBondContact O-N 3.11Å; Q144-L148 VanDerWaalsContact O-N 3.12Å
145Q62.6Low61.4Low137 Ų137114.2 Ų114.264%0.6465%0.651SS**Hα-helixtrans-60.2-45.5174.8-161.877.915.900111.5P141 A142 Q143 L148 Q149P141-Q145 PolarHBondContact O-N 3.13Å; A142-Q145 WeakPolarHBondContact O-CB 3.42Å; A142-Q145 PolarHBondContact O-N 3.34Å; Q143-Q145 VanDerWaalsContact C-N 3.35Å; Q145-L148 PolarHBondContact O-N 3.44Å; Q145-Q149 WeakPolarHBondContact O-CB 3.48Å; Q145-Q149 PolarHBondContact O-N 3.25Å
146L72.6Confident62.7Low118 Ų118117 Ų11762%0.61865%0.65SS**Hα-helixtrans-65.9-42.1-179.6-175.365.2000112.4A142 Q143 Q149 Q150A142-L146 PolarHBondContact O-N 2.86Å; Q143-L146 PolarHBondContact O-N 3.45Å; L146-Q149 PolarHBondContact O-N 3.09Å; L146-Q150 WeakPolarHBondContact O-CB 3.48Å; L146-Q150 PolarHBondContact O-N 2.85Å
147L72.8Confident63.6Low113 Ų113112.2 Ų112.259%0.59263%0.634SS**Hα-helixtrans-65.1-39.9178.6-172.665.8000111.8Q143 Q144 Q150 A151Q143-L147 PolarHBondContact O-N 3.22Å; Q144-L147 PolarHBondContact O-N 3Å; L147-Q150 PolarHBondContact O-N 3.37Å; L147-A151 WeakPolarHBondContact O-CB 3.38Å; L147-A151 PolarHBondContact O-N 3.19Å
148L76.8Confident64.4Low121 Ų121109.5 Ų109.563%0.63461%0.611SS**Hα-helixtrans-64.9-40.9175.7-166.171.3000111.6Q144 Q145 A151 Q152Q144-L148 PolarHBondContact O-N 3.11Å; Q144-L148 VanDerWaalsContact O-N 3.12Å; Q145-L148 PolarHBondContact O-N 3.44Å; L148-A151 PolarHBondContact O-N 3.44Å; L148-Q152 WeakPolarHBondContact O-CB 3.37Å; L148-Q152 PolarHBondContact O-N 3.21Å
149Q76.3Confident65.1Low119 Ų119108 Ų10856%0.55660%0.599SS**Hα-helixtrans-67.7-38.8176.9-172.8137.581.800112.4Q145 L146 Q152 A153Q145-Q149 WeakPolarHBondContact O-CB 3.48Å; Q145-Q149 PolarHBondContact O-N 3.25Å; L146-Q149 PolarHBondContact O-N 3.09Å; Q149-Q152 PolarHBondContact O-N 3.33Å; Q149-A153 WeakPolarHBondContact O-CB 3.47Å; Q149-A153 PolarHBondContact O-N 3.14Å
150Q71.3Confident65.8Low122 Ų122105.1 Ų105.157%0.5759%0.587SS**Hα-helixtrans-63.1-45173.8-176.917687.400111.8L146 L147 Q152 A153 Q154L146-Q150 WeakPolarHBondContact O-CB 3.48Å; L146-Q150 PolarHBondContact O-N 2.85Å; L147-Q150 PolarHBondContact O-N 3.37Å; Q150-Q152 VanDerWaalsContact C-N 3.3Å; Q150-Q152 PolarHBondContact O-N 3.34Å; Q150-A153 PolarHBondContact O-N 3.42Å; Q150-Q154 PolarHBondContact O-N 3.21Å
151A69.8Low65.8Low56 Ų56107.1 Ų107.146%0.46359%0.593SS.*Hα-helixtrans-60.3-40.1176.200000112.1L147 L148 Q154 L155L147-A151 WeakPolarHBondContact O-CB 3.38Å; L147-A151 PolarHBondContact O-N 3.19Å; L148-A151 PolarHBondContact O-N 3.44Å; A151-Q154 PolarHBondContact O-N 3.42Å; A151-L155 PolarHBondContact O-N 2.96Å
152Q67.1Low65.9Low134 Ų134109.4 Ų109.463%0.62660%0.595SS**Hα-helixtrans-69.1-39.1178-161.517028.100112.4L148 Q149 Q150 L156L148-Q152 WeakPolarHBondContact O-CB 3.37Å; L148-Q152 PolarHBondContact O-N 3.21Å; Q149-Q152 PolarHBondContact O-N 3.33Å; Q150-Q152 VanDerWaalsContact C-N 3.3Å; Q150-Q152 PolarHBondContact O-N 3.34Å; Q152-L156 PolarHBondContact O-N 2.91Å
153A70.9Confident66Low58 Ų58109.9 Ų109.948%0.47959%0.593SS.*Hα-helixtrans-65.5-38.9174.900000112.6Q149 Q150 L156 A157Q149-A153 WeakPolarHBondContact O-CB 3.47Å; Q149-A153 PolarHBondContact O-N 3.14Å; Q150-A153 PolarHBondContact O-N 3.42Å; A153-L156 PolarHBondContact O-N 3.38Å; A153-A157 PolarHBondContact O-N 3.12Å; A153-A157 VanDerWaalsContact O-N 3.07Å
154Q70.6Confident65.7Low144 Ų144109.1 Ų109.167%0.67359%0.594SS**Hα-helixtrans-71.8-32-178.9-163.2158.630.200112.7Q150 A151 A158Q150-Q154 PolarHBondContact O-N 3.21Å; A151-Q154 PolarHBondContact O-N 3.42Å; Q154-A158 PolarHBondContact O-N 2.89Å
155L72Confident65.2Low139 Ų139105.8 Ų105.873%0.72859%0.59SS**Hα-helixtrans-64.3-40.3170.6-132.682.8000111.9A151 A158 A159A151-L155 PolarHBondContact O-N 2.96Å; L155-A158 PolarHBondContact O-N 3.46Å; L155-A159 PolarHBondContact O-N 3.41Å
156L71.6Confident64.4Low120 Ų120102.9 Ų102.963%0.62859%0.59SS**Hα-helixtrans-66.9-40179.3-173.862.1000112Q152 A153 A158 A159 V160Q152-L156 PolarHBondContact O-N 2.91Å; A153-L156 PolarHBondContact O-N 3.38Å; L156-A158 VanDerWaalsContact C-N 3.35Å; L156-A158 PolarHBondContact O-N 3.29Å; L156-A159 PolarHBondContact O-N 3.07Å; L156-V160 WeakPolarHBondContact O-CG2 3.5Å; L156-V160 PolarHBondContact O-N 3.28Å
157A61.9Low63.3Low57 Ų57105 Ų10547%0.47160%0.596SS.*Hα-helixtrans-61.5-40.4175.600000112.7A153 V160 Q161A153-A157 PolarHBondContact O-N 3.12Å; A153-A157 VanDerWaalsContact O-N 3.07Å; A157-V160 PolarHBondContact O-N 3.31Å; A157-Q161 PolarHBondContact O-N 3.43Å
158A60.3Low61.9Low58 Ų58103.8 Ų103.848%0.47960%0.602SS.*Hα-helixtrans-64.5-41.8176.700000112.4Q154 L155 L156 V160 Q161 Q162Q154-A158 PolarHBondContact O-N 2.89Å; L155-A158 PolarHBondContact O-N 3.46Å; L156-A158 VanDerWaalsContact C-N 3.35Å; L156-A158 PolarHBondContact O-N 3.29Å; A158-V160 VanDerWaalsContact C-N 3.34Å; A158-V160 PolarHBondContact O-N 3.15Å; A158-Q161 PolarHBondContact O-N 3.46Å; A158-Q162 PolarHBondContact O-N 3.4Å; A158-Q162 VanDerWaalsContact O-N 3.11Å
159A59.9Low60.3Low56 Ų56102.3 Ų102.346%0.46361%0.607SS.*Hα-helixtrans-62.3-38.6177.400000112.7L155 L156 Q162 S163L155-A159 PolarHBondContact O-N 3.41Å; L156-A159 PolarHBondContact O-N 3.07Å; A159-Q162 PolarHBondContact O-N 3.15Å; A159-S163 PolarHBondContact O-N 3.26Å; A159-S163 VanDerWaalsContact O-N 3.13Å
160V65.2Low58.8Low86 Ų86100.2 Ų100.252%0.52161%0.61SS.*Hα-helixtrans-66-42.4177.2173.30000111.7L156 A157 A158 Q162 S163 N164L156-V160 WeakPolarHBondContact O-CG2 3.5Å; L156-V160 PolarHBondContact O-N 3.28Å; A157-V160 PolarHBondContact O-N 3.31Å; A158-V160 VanDerWaalsContact C-N 3.34Å; A158-V160 PolarHBondContact O-N 3.15Å; V160-Q162 VanDerWaalsContact C-N 3.33Å; V160-Q162 PolarHBondContact O-N 3.18Å; V160-S163 WeakPolarHBondContact O-CB 3.35Å; V160-S163 PolarHBondContact O-N 3.32Å; V160-N164 PolarHBondContact O-N 3.22Å
161Q60.2Low57.6Low156 Ų156103.5 Ų103.573%0.72963%0.625SS**Hα-helixtrans-63.5-37.9175.3-76.2-172.6-23.400112.6A157 A158 S163 N164 A165A157-Q161 PolarHBondContact O-N 3.43Å; A158-Q161 PolarHBondContact O-N 3.46Å; Q161-S163 VanDerWaalsContact C-N 3.31Å; Q161-S163 PolarHBondContact O-N 3.46Å; Q161-N164 PolarHBondContact O-N 3.04Å; Q161-A165 PolarHBondContact O-N 3.3Å; Q161-A165 VanDerWaalsContact O-N 3.17Å
162Q54.8Low55.9Low156 Ų156105.6 Ų105.673%0.72964%0.643SS**Hα-helixtrans-67-32.4178.1-161.4169.925.700112.6A158 A159 V160A158-Q162 PolarHBondContact O-N 3.4Å; A158-Q162 VanDerWaalsContact O-N 3.11Å; A159-Q162 PolarHBondContact O-N 3.15Å; V160-Q162 VanDerWaalsContact C-N 3.33Å; V160-Q162 PolarHBondContact O-N 3.18Å
163S54.6Low54.4Low82 Ų82103.8 Ų103.857%0.57365%0.651SS**Hα-helixtrans-63.3-49.9171.5-173.80000112.1A159 V160 Q161 A165 A166A159-S163 PolarHBondContact O-N 3.26Å; A159-S163 VanDerWaalsContact O-N 3.13Å; V160-S163 WeakPolarHBondContact O-CB 3.35Å; V160-S163 PolarHBondContact O-N 3.32Å; Q161-S163 VanDerWaalsContact C-N 3.31Å; Q161-S163 PolarHBondContact O-N 3.46Å; S163-A165 VanDerWaalsContact C-N 3.3Å; S163-A165 PolarHBondContact O-N 3.4Å; S163-A166 PolarHBondContact O-N 2.97Å
164N49.9Very low52.9Low120 Ų120106.3 Ų106.364%0.64266%0.662SS**Hα-helixtrans-62.5-33.6-179.3-92.563.9000113.4V160 Q161 A166 H167V160-N164 PolarHBondContact O-N 3.22Å; Q161-N164 PolarHBondContact O-N 3.04Å; N164-A166 VanDerWaalsContact C-N 3.3Å; N164-A166 PolarHBondContact O-N 3.48Å; N164-H167 PolarHBondContact O-N 2.98Å
165A47.3Very low51Low70 Ų70105.3 Ų105.358%0.57967%0.666SS**Hα-helixtrans-63.7-33.5177.200000113.1Q161 S163 H167Q161-A165 PolarHBondContact O-N 3.3Å; Q161-A165 VanDerWaalsContact O-N 3.17Å; S163-A165 VanDerWaalsContact C-N 3.3Å; S163-A165 PolarHBondContact O-N 3.4Å; A165-H167 VanDerWaalsContact C-N 3.34Å; A165-H167 PolarHBondContact O-N 3.36Å
166A47.3Very low48.7Very low76 Ų76107.2 Ų107.263%0.62867%0.668SS**Hα-helixtrans-70.7-27.3-179.300000113.3S163 N164S163-A166 PolarHBondContact O-N 2.97Å; N164-A166 VanDerWaalsContact C-N 3.3Å; N164-A166 PolarHBondContact O-N 3.48Å
167H48.7Very low46.6Very low162 Ų162108.1 Ų108.175%0.7567%0.669SS**Hα-helixtrans-79.4-21.8-175.8-14170.8000113.5N164 A165 A169N164-H167 PolarHBondContact O-N 2.98Å; A165-H167 VanDerWaalsContact C-N 3.34Å; A165-H167 PolarHBondContact O-N 3.36Å; H167-A169 VanDerWaalsContact C-N 3.31Å; H167-A169 PolarHBondContact O-N 3.06Å
168A44.4Very low44.8Very low87 Ų87113.7 Ų113.772%0.71969%0.686SS**THydrogen-bonded Turntrans-73.4-18.4-178.400000114.1
169A43.1Very low43.1Very low90 Ų90119.8 Ų119.874%0.74470%0.704SS**THydrogen-bonded Turntrans-86.9-4.3-175.300000114.6H167H167-A169 VanDerWaalsContact C-N 3.31Å; H167-A169 PolarHBondContact O-N 3.06Å
170A44.7Very low42.2Very low75 Ų75122.3 Ų122.362%0.6272%0.716SS**SBendtrans-87.6-6.2-16800000115.7
171H44.9Very low40.3Very low191 Ų191123.8 Ų123.888%0.88473%0.725SS**  trans-117.967.1-173.5-83-73.8000113.7
172A35.4Very low38.8Very low101 Ų101125.6 Ų125.684%0.83573%0.733SS**  trans-146132.6161.800000110.8
173A34Very low37.5Very low96 Ų96122.5 Ų122.579%0.79373%0.734SS**  trans-135.5155.5175.700000108.2
174P40Very low36.7Very low111 Ų111124.2 Ų124.272%0.72174%0.744SS**  -153.7148.777.540.2-20.4000118.5
175T29.9Very low36.3Very low123 Ų123124 Ų12476%0.75575%0.749SS**  trans38.1136.5139.267.70000124.9
176K24.7Very low35.8Very low178 Ų178126.5 Ų126.577%0.77476%0.759SS**  trans109.3126.5134.3-87.6175.2167.1-157.30122.7
177Q26.9Very low35Very low139 Ų139132.2 Ų132.265%0.6577%0.773SS**  trans80.7113.2140-72.2173.8-106.300123.9
178E25.2Very low34.1Very low175 Ų175133 Ų13382%0.81878%0.782SS**  trans86.2168133.7-72.1168.983.500123.2
179Q23.7Very low33.4Very low186 Ų186133.2 Ų133.287%0.86978%0.784SS**  trans-118.6-177.3-155.8-77.1-174.4-23.900112.2
180P42Very low32.8Very low108 Ų108136.4 Ų136.470%0.70179%0.787SS**  cis-130-171.4-37.330.5-10.2000112.5
181V25.4Very low32.4Very low118 Ų118137.9 Ų137.972%0.71579%0.793SS**  trans150122.3134.31640000115.1
182Q28.1Very low31.7Very low193 Ų193136.4 Ų136.490%0.90279%0.787SS**  trans57.3161.8155.9-72.6173.8-41.400122.9
183A26.2Very low31.7Very low91 Ų91136.6 Ų136.675%0.75278%0.779SS**  trans-135.8-166.2-168.500000109.2
184P37.8Very low31.7Very low118 Ų118139 Ų13977%0.76678%0.778SS**  cis-130.7-149.13.545.9-26.5000111.2
185P42.1Very low31.6Very low117 Ų117142 Ų14276%0.7678%0.782SS**  cis-122.4-176.8-16.543.1-26.7000113.5
186P38.1Very low31.9Very low122 Ų122141.3 Ų141.379%0.79277%0.773SS**  trans-97.8160.8-164.637.4-35.3000116.9
187Q29.3Very low33.1Very low195 Ų195137.1 Ų137.191%0.91176%0.762SS**  trans-124.9144163.8-79.1-93.6-72.800109.7
188L30.4Very low34.2Very low178 Ų178134 Ų13493%0.93276%0.761SS**  trans-88.4121.4-178.9-74.6164000111.5
189A30.4Very low35.2Very low93 Ų93133 Ų13377%0.76976%0.756SS**  trans-138.772.4169.200000110.3S191A189-S191 PolarHBondContact O-N 3.32Å; A189-S191 VanDerWaalsContact O-N 3.13Å
190L30Very low36Very low156 Ų156128 Ų12882%0.81774%0.735SS**  trans-77.399.5-179.2-158166.8000109.1
191S34.8Very low36.7Very low107 Ų107128.1 Ų128.175%0.74873%0.729SS**  trans-143.166.3-178.3-680000111.2A189A189-S191 PolarHBondContact O-N 3.32Å; A189-S191 VanDerWaalsContact O-N 3.13Å
192Q30.3Very low37.9Very low159 Ų159128.5 Ų128.574%0.74372%0.723SS**  trans-64.3125.7167-73-78.455.600109.4I194Q192-I194 PolarHBondContact O-N 3.15Å
193P36.2Very low39.1Very low105 Ų105125.5 Ų125.568%0.68271%0.709SS**  trans-68.8122.616928.6-32.2000109Q195P193-Q195 PolarHBondContact O-N 3.03Å; P193-Q195 VanDerWaalsContact O-N 3.11Å
194I33.6Very low40.5Very low148 Ų148127 Ų12776%0.75970%0.704SS**  trans-66.3113.3168.5-69.590.8000107.5Q192 L196Q192-I194 PolarHBondContact O-N 3.15Å; I194-L196 VanDerWaalsContact C-N 3.26Å; I194-L196 HydrophobicContact CG2-CG 4.44Å; I194-L196 PolarHBondContact O-N 3.4Å
195Q37.5Very low41.5Very low172 Ų172126.8 Ų126.880%0.80470%0.696SS**  trans-67.581.1173.3-77.7-89.152.500110.3P193 T197P193-Q195 PolarHBondContact O-N 3.03Å; P193-Q195 VanDerWaalsContact O-N 3.11Å; Q195-T197 PolarHBondContact O-N 2.94Å; Q195-T197 VanDerWaalsContact O-N 3.09Å
196L37.3Very low42Very low110 Ų110127 Ų12758%0.57669%0.687SS**  trans-68.4100.6165.1-87.2162.3000108.4I194 D200I194-L196 VanDerWaalsContact C-N 3.26Å; I194-L196 HydrophobicContact CG2-CG 4.44Å; I194-L196 PolarHBondContact O-N 3.4Å; L196-D200 HydrophobicContact CD2-CB 4.19Å; L196-D200 WeakPolarHBondContact CD2-OD1 3.25Å
197T48.8Very low42.5Very low89 Ų89125.9 Ų125.955%0.54667%0.673SS.*  trans-64145.117953.10000110.5Q195 Q199 D200Q195-T197 PolarHBondContact O-N 2.94Å; Q195-T197 VanDerWaalsContact O-N 3.09Å; T197-Q199 PolarHBondContact O-N 3.44Å; T197-D200 PolarHBondContact O-N 3.45Å
198A50.3Low43.4Very low75 Ų75123.4 Ų123.462%0.6266%0.662SS**Hα-helixtrans-62.5-4.8-172.500000115.5
199Q46Very low44.3Very low153 Ų153121.2 Ų121.272%0.71565%0.647SS**Hα-helixtrans-77.7-36.2171.3-70.4-176.9-43.700112.6T197 I201 Q202 Q203T197-Q199 PolarHBondContact O-N 3.44Å; Q199-I201 VanDerWaalsContact C-N 3.33Å; Q199-I201 PolarHBondContact O-N 3.32Å; Q199-Q202 PolarHBondContact O-N 3.46Å; Q199-Q202 VanDerWaalsContact O-N 3.14Å; Q199-Q203 PolarHBondContact O-N 3Å
200D40.6Very low44.8Very low80 Ų80123.3 Ų123.343%0.42864%0.644SS.*Hα-helixtrans-64-40.7-177.8-170.1-101.3000111.5L196 T197 Q202 Q203 L204L196-D200 HydrophobicContact CD2-CB 4.19Å; L196-D200 WeakPolarHBondContact CD2-OD1 3.25Å; T197-D200 PolarHBondContact O-N 3.45Å; D200-Q202 VanDerWaalsContact C-N 3.32Å; D200-Q202 PolarHBondContact O-N 3.36Å; D200-Q203 PolarHBondContact O-N 3.43Å; D200-Q203 VanDerWaalsContact O-N 3.12Å; D200-L204 PolarHBondContact O-N 2.9Å
201I56.8Low45.2Very low111 Ų111122.1 Ų122.157%0.56964%0.643SS**Hα-helixtrans-62-37.5175.4-60.6175.4000111.5Q199 L205Q199-I201 VanDerWaalsContact C-N 3.33Å; Q199-I201 PolarHBondContact O-N 3.32Å; I201-L205 PolarHBondContact O-N 3.06Å
202Q50.7Low45.8Very low127 Ų127124 Ų12459%0.59364%0.644SS**Hα-helixtrans-69.5-40.3173.1-80.1-175.486.400112Q199 D200 L204 L205 Q206Q199-Q202 PolarHBondContact O-N 3.46Å; Q199-Q202 VanDerWaalsContact O-N 3.14Å; D200-Q202 VanDerWaalsContact C-N 3.32Å; D200-Q202 PolarHBondContact O-N 3.36Å; Q202-L204 VanDerWaalsContact C-N 3.34Å; Q202-L204 PolarHBondContact O-N 3.07Å; Q202-L205 WeakPolarHBondContact O-CB 3.25Å; Q202-L205 PolarHBondContact O-N 3.48Å; Q202-L205 VanDerWaalsContact O-N 3.15Å; Q202-Q206 PolarHBondContact O-N 3.03Å
203Q54.2Low45.8Very low130 Ų130124.6 Ų124.661%0.60765%0.649SS**Hα-helixtrans-66.6-36179.5-169.6163.3-20.300112Q199 D200 L205 Q206 L207Q199-Q203 PolarHBondContact O-N 3Å; D200-Q203 PolarHBondContact O-N 3.43Å; D200-Q203 VanDerWaalsContact O-N 3.12Å; Q203-L205 VanDerWaalsContact C-N 3.35Å; Q203-Q206 WeakPolarHBondContact O-CB 3.46Å; Q203-Q206 PolarHBondContact O-N 2.98Å; Q203-L207 PolarHBondContact O-N 2.99Å
204L55.8Low46.1Very low123 Ų123123.6 Ų123.664%0.64464%0.642SS**Hα-helixtrans-63.7-38.7171.1-171.665.1000112.2D200 Q202 Q206 L207 Q208D200-L204 PolarHBondContact O-N 2.9Å; Q202-L204 VanDerWaalsContact C-N 3.34Å; Q202-L204 PolarHBondContact O-N 3.07Å; L204-Q206 VanDerWaalsContact C-N 3.34Å; L204-L207 PolarHBondContact O-N 3.35Å; L204-Q208 PolarHBondContact O-N 3.03Å
205L57.8Low45.8Very low113 Ų113120.4 Ų120.459%0.59265%0.646SS**Hα-helixtrans-67-35.1174.3-159.572.1000112I201 Q202 Q203 Q208I201-L205 PolarHBondContact O-N 3.06Å; Q202-L205 WeakPolarHBondContact O-CB 3.25Å; Q202-L205 PolarHBondContact O-N 3.48Å; Q202-L205 VanDerWaalsContact O-N 3.15Å; Q203-L205 VanDerWaalsContact C-N 3.35Å; L205-Q208 PolarHBondContact O-N 3.28Å
206Q53.3Low45.7Very low122 Ų122120.2 Ų120.257%0.5765%0.645SS**Hα-helixtrans-64.9-43.3174.9-146.781.968.100111.7Q202 Q203 L204 Q208 Q209 L210Q202-Q206 PolarHBondContact O-N 3.03Å; Q203-Q206 WeakPolarHBondContact O-CB 3.46Å; Q203-Q206 PolarHBondContact O-N 2.98Å; L204-Q206 VanDerWaalsContact C-N 3.34Å; Q206-Q208 VanDerWaalsContact C-N 3.3Å; Q206-Q208 PolarHBondContact O-N 3.37Å; Q206-Q209 PolarHBondContact O-N 3.41Å; Q206-L210 PolarHBondContact O-N 2.83Å; Q206-L210 VanDerWaalsContact O-N 3.15Å
207L47.7Very low45.9Very low98 Ų98121 Ų12151%0.51366%0.656SS.*Hα-helixtrans-68.3-25.4179.1-70.6-175.8000113.6Q203 L204 Q209 L210Q203-L207 PolarHBondContact O-N 2.99Å; L204-L207 PolarHBondContact O-N 3.35Å; L207-Q209 VanDerWaalsContact C-N 3.35Å; L207-L210 HydrophobicContact CD2-CD2 3.93Å; L207-L210 PolarHBondContact O-N 2.98Å
208Q49.5Very low45Very low143 Ų143124.6 Ų124.667%0.66867%0.671SS**Hα-helixtrans-68.5-34.4172.2-164.8176.7114.700112.1L204 L205 Q206L204-Q208 PolarHBondContact O-N 3.03Å; L205-Q208 PolarHBondContact O-N 3.28Å; Q206-Q208 VanDerWaalsContact C-N 3.3Å; Q206-Q208 PolarHBondContact O-N 3.37Å
209Q47.9Very low43.8Very low132 Ų132130 Ų13062%0.61768%0.684SS**Hα-helixtrans-72.8-29172.7-69-174.681.800112.5Q206 L207 V211 L212Q206-Q209 PolarHBondContact O-N 3.41Å; L207-Q209 VanDerWaalsContact C-N 3.35Å; Q209-V211 PolarHBondContact O-N 3.4Å; Q209-V211 VanDerWaalsContact O-N 3.15Å; Q209-L212 PolarHBondContact O-N 3.49Å
210L42Very low43.4Very low136 Ų136127.1 Ų127.171%0.71268%0.681SS**THydrogen-bonded Turntrans-71.1-7.2-176.4-151.668.8000114.4Q206 L207 L212Q206-L210 PolarHBondContact O-N 2.83Å; Q206-L210 VanDerWaalsContact O-N 3.15Å; L207-L210 HydrophobicContact CD2-CD2 3.93Å; L207-L210 PolarHBondContact O-N 2.98Å; L210-L212 VanDerWaalsContact C-N 3.29Å
211V37.6Very low43.6Very low132 Ų132129.5 Ų129.580%0.870%0.7SS**THydrogen-bonded Turntrans-84.4-2.5170.8178.40000112.1Q209Q209-V211 PolarHBondContact O-N 3.4Å; Q209-V211 VanDerWaalsContact O-N 3.15Å
212L46.8Very low42.2Very low145 Ų145128.6 Ų128.676%0.75971%0.71SS**  trans-112.976.8177.4-166.865.3000111.6Q209 L210Q209-L212 PolarHBondContact O-N 3.49Å; L210-L212 VanDerWaalsContact C-N 3.29Å
213M30.9Very low41.4Very low173 Ų173131 Ų13185%0.85272%0.721SS**  trans-63.4146.1170.8-109.2-146.170.700111.4
214P42.9Very low40.2Very low84 Ų84134.3 Ų134.355%0.54573%0.733SS.*  trans-114.2156.8-144.411.711000115.3
215G27.5Very low38.8Very low81 Ų81135.4 Ų135.484%0.83574%0.739SS**  trans-121.4130.2158.500000110.1
216H36.1Very low37.7Very low168 Ų168136.6 Ų136.678%0.77875%0.745SS**  trans-118.3165.3178.1-6789.4000109.5
217P41.5Very low36.4Very low126 Ų126136.7 Ų136.782%0.81876%0.76SS**  cis-125.3-172.42.133.6-13.2000114.5
218L28.6Very low35.7Very low164 Ų164139.8 Ų139.886%0.85977%0.772SS**  trans-87.8162-177-59.7168.1000113.9
219Q26.2Very low35.1Very low189 Ų189139 Ų13988%0.88378%0.779SS**  -148141.4126.1-159.8166.87.200111.9
220S37.1Very low34.3Very low93 Ų93137.5 Ų137.565%0.6579%0.789SS**  trans-132.9169.2171.2-50.70000108.7
221P44.4Very low33.9Very low129 Ų129140.5 Ų140.584%0.83880%0.799SS**  -154.6148.599.838.2-20.6000117.2
222A26.9Very low33.4Very low93 Ų93138.4 Ų138.477%0.76980%0.795SS**  trans161.1112.4147.300000106.8
223Q34.5Very low32.7Very low176 Ų176139.9 Ų139.982%0.82280%0.799SS**  cis60.88647.7-64.3-700.900114.5
224F28.8Very low32.7Very low200 Ų200140 Ų14088%0.87780%0.797SS**  trans-148.1164.7140.3-142.1-99.5000112.2
225L26.1Very low32.2Very low146 Ų146140.9 Ų140.976%0.76480%0.803SS**  trans-91.4162.1-160-79.5160.4000115.9
226L34.8Very low32.3Very low138 Ų138144.7 Ų144.772%0.72380%0.799SS**  trans-53.7149.7171.8179.568.1000113.2
227S27Very low32Very low124 Ų124145.2 Ų145.287%0.86780%0.802SS**  trans-144.2122.1152.5-76.20000110.1
228Q33.1Very low31.3Very low164 Ų164142.5 Ų142.577%0.76680%0.797SS**  trans-118.2139.6179.1-169.7172.599.700107.3
229P37.3Very low31.3Very low126 Ų126142.5 Ų142.582%0.81880%0.796SS**PPolyproline II helixtrans-69.9137.1-167.926.9-35.1000112.7
230A30Very low31.3Very low100 Ų100140.6 Ų140.683%0.82679%0.792SS**PPolyproline II helixtrans-81.6140.9176.900000112.1
231Q33.5Very low31Very low200 Ų200141.5 Ų141.594%0.93580%0.798SS**PPolyproline II helixtrans-100.4165.9158-79.3-151.6-7.500110.8
232A28Very low30.1Very low87 Ų87141.7 Ų141.772%0.71980%0.797SS**  trans-112148.1-168.200000113.8
233Q31.1Very low30.2Very low177 Ų177141.5 Ų141.583%0.82780%0.795SS**  trans57.9114.2159-64.7-179.1-13.200119.5
234Q30.4Very low30Very low175 Ų175140.1 Ų140.182%0.81879%0.794SS**  -157.615998.3-85.4-58.5-17.800108.9
235P33.7Very low30Very low102 Ų102137.1 Ų137.166%0.66279%0.786SS**  trans-112.9-173.9-171.842.5-34.9000115.5
236Q28.2Very low30.4Very low161 Ų161136.5 Ų136.575%0.75278%0.782SS**  trans90.3114.8164-90.7179.5-116.500121.1
237Q29.7Very low29.9Very low180 Ų180138.1 Ų138.184%0.84179%0.786SS**  trans66.7147.5152.5-53.8-177.87.400118
238G27.4Very low30Very low69 Ų69139.8 Ų139.871%0.71178%0.784SS**  cis169.8140.7-10.900000114.1
239L28.1Very low30.5Very low163 Ų163137.3 Ų137.385%0.85378%0.782SS**  trans74.5109164.3-56.7175000122.1
240L27.8Very low30Very low150 Ų150139.2 Ų139.279%0.78578%0.78SS**  59112.8126.2-55.6179.3000123.9
241S29.9Very low30Very low111 Ų111142.2 Ų142.278%0.77678%0.777SS**  trans-176.4130.8130-75.70000108
242T26.6Very low29.8Very low133 Ų133137.3 Ų137.382%0.81677%0.765SS**  cis66.9129.739.370.90000113.8
243A28.3Very low29.9Very low89 Ų89138 Ų13874%0.73677%0.77SS**  cis-144.9152.816.300000110.7
244N29.6Very low29.9Very low148 Ų148133.5 Ų133.579%0.79177%0.772SS**  58.114277.8-91.9-28.2000115
245L29.6Very low29.8Very low136 Ų136128.6 Ų128.671%0.71277%0.769SS**  cis-166.1176.922.2-129.4175.1000113.2
246I34.7Very low29.8Very low133 Ų133131.9 Ų131.968%0.68278%0.779SS**  trans82.4142.3151.7-113.5129.1000119.2
247Q23.5Very low29.9Very low173 Ų173128.8 Ų128.881%0.80877%0.768SS**  cis-154.4175.42.4-148.616415.800114.2
248L28.8Very low29.8Very low159 Ų159124.8 Ų124.883%0.83276%0.756SS**  trans-95.6-176.9176.7-124.777.5000112.6
249P43.9Very low29.8Very low112 Ų112124.4 Ų124.473%0.72774%0.742SS**  cis-135.5-150.430.341.6-18.3000114.3
250Q27Very low31.3Very low166 Ų166122 Ų12278%0.77674%0.737SS**  cis-153.4-148.43.2-130.9-718.800109.2
251Q29.9Very low32.2Very low162 Ų162120.8 Ų120.876%0.75774%0.737SS**  trans-145.6-162-176.3-49.4-175.69.100112.2
252S29.2Very low32.2Very low98 Ų98125.5 Ų125.569%0.68574%0.738SS**  cis-165169.10.5-140.20000113.4
253A30.1Very low32.4Very low100 Ų100126.3 Ų126.383%0.82674%0.735SS**  trans59.3166.3165.700000119.2
254G30.8Very low32.4Very low83 Ų83125.8 Ų125.886%0.85674%0.737SS**  cis124.2132.7-7.200000114.3
255G29.7Very low32.5Very low73 Ų73126.9 Ų126.975%0.75374%0.742SS**  cis171.3-177.2-5.600000113.7
256L31.8Very low32.4Very low170 Ų170129.3 Ų129.389%0.8975%0.75SS**  trans79.4147.6167.1-62.7169.3000122.8
257L32.2Very low32.1Very low96 Ų96127.2 Ų127.250%0.50375%0.753SS.*  trans54.1179.5164.4-52.4-175.4000119.5N565 T566L257-N565 VanDerWaalsContact O-CB 3.25Å; L257-N565 WeakPolarHBondContact O-CB 3.35Å; L257-T566 WeakPolarHBondContact CD2-OG1 3.48Å
258T27.5Very low32.3Very low97 Ų97127.3 Ų127.360%0.59575%0.753SS**  cis-150.3171.3-1-158.20000113.5G564 N565T258-G564 CarbonylContact O-C 3.59Å; T258-G564 VanDerWaalsContact O-O 3.13Å; T258-N565 CarbonylContact C-O 3.57Å; T258-N565 VanDerWaalsContact CA-O 3.25Å; T258-N565 WeakPolarHBondContact CA-O 3.49Å; T258-N565 PolarHBondContact O-N 2.98Å
259S26.1Very low32.2Very low60 Ų60125.1 Ų125.142%0.4275%0.751SS.*  trans-130.5-164.9-170.163.90000116.4N565 T566S259-N565 VanDerWaalsContact CB-O 3.23Å; S259-N565 WeakPolarHBondContact CB-O 3.4Å; S259-N565 PolarHBondContact N-O 2.99Å; S259-T566 WeakPolarHBondContact CB-O 3.45Å; S259-T566 VanDerWaalsContact OG-C 3.25Å; S259-T566 PolarHBondContact OG-O 3.38Å
260P59.3Low31.3Very low114 Ų114123.1 Ų123.174%0.7475%0.751SS**  -136.8160.9-109.939.6-18.4000119.1
261P47.5Very low31.4Very low123 Ų123120.4 Ų120.480%0.79976%0.757SS**  trans-131.4132.3175.537.6-21.7000119.3
262R30.4Very low31.3Very low210 Ų210117.3 Ų117.379%0.79276%0.759SS**  trans54.2119.2137.4-83.2-173.367.7178.9-0.9125
263M29.4Very low31.3Very low151 Ų151118 Ų11874%0.74476%0.764SS**  73.8129.3108.4-166.3-179.3-75.600122.5
264G28.9Very low31.1Very low77 Ų77117.3 Ų117.379%0.79477%0.767SS**  trans-170.8129.7159.500000112.5
265L32.3Very low31Very low171 Ų171116.9 Ų116.990%0.89576%0.762SS**  trans-120.9139.6179.8-87.2159.4000110
266Q26.4Very low31Very low187 Ų187118.6 Ų118.687%0.87476%0.763SS**  trans-158.2158.6137.7-153.1154.7-47.100111.6
267A28.5Very low30.7Very low90 Ų90116.5 Ų116.574%0.74476%0.762SS**  trans-130.1-164.7178.900000110.3
268Q28.2Very low30.5Very low175 Ų175115.5 Ų115.582%0.81877%0.768SS**  trans110.1143.6170.9-166176.747.900114.7
269S26.2Very low30.5Very low112 Ų112117.1 Ų117.178%0.78378%0.777SS**  cis-170.8155.2-37.561.30000111.3
270G25.7Very low30.7Very low71 Ų71119.8 Ų119.873%0.73279%0.791SS**  trans150.1118.1162.500000112
271A29.1Very low29.3Very low109 Ų109119.3 Ų119.390%0.90179%0.79SS**  cis82.6132.343.300000113
272A28.5Very low28.3Very low96 Ų96120.1 Ų120.179%0.79379%0.793SS**  cis-162.2-169.1-10.700000108.8
273S28.3Very low28.2Very low113 Ų113113.9 Ų113.979%0.7979%0.794SS**  cis-166.8133.9-3.442.50000111.3
274G27.1Very low28.1Very low86 Ų86111.2 Ų111.289%0.88780%0.796SS**  trans76.7161.4157.600000118
275G28.8Very low28.2Very low74 Ų74112.8 Ų112.876%0.76380%0.795SS**  cis157.6166-200000111.3
276S27.9Very low28.1Very low109 Ų109110.1 Ų110.176%0.76279%0.79SS**  cis-167.4153.3-12.3-76.90000110.2
277S27.2Very low28.3Very low126 Ų126106.3 Ų106.388%0.88179%0.791SS**  trans67.2164.8169.7-50.80000116.2
278A26.3Very low28.5Very low75 Ų75107.1 Ų107.162%0.6279%0.791SS**  cis-148.7149.72.900000110.5
279V29.2Very low28.7Very low131 Ų131103.7 Ų103.779%0.79479%0.787SS**  48.5142.2104.3-39.50000116.8
280T30.5Very low28.9Very low116 Ų116103.7 Ų103.771%0.71279%0.787SS**  cis-169.5156.2-28.60000111.7
281S28.4Very low29.1Very low103 Ų103104.2 Ų104.272%0.7278%0.784SS**  trans60.1171.1146.1710000120.6
282V27.5Very low29.4Very low140 Ų140107.8 Ų107.885%0.84878%0.784SS**  cis-152.8151.6-6.5-114.50000110.7
283G27.4Very low29.6Very low79 Ų79107.9 Ų107.981%0.81479%0.785SS**  trans73.5169.4150.200000119.6
284A28.8Very low29.7Very low96 Ų96107.8 Ų107.879%0.79378%0.784SS**  cis-162.9154.2-21.500000112.4
285S30.8Very low29.8Very low109 Ų109108.5 Ų108.576%0.76278%0.776SS**  trans38.1106.2151-53.20000123.4
286S29.8Very low30Very low115 Ų115112.9 Ų112.980%0.80478%0.781SS**  23.8130127.860.60000122.7
287A30.3Very low30.3Very low107 Ų107113 Ų11388%0.88478%0.777SS**  trans-162.3163133.500000114.1
288S32.2Very low30.5Very low108 Ų108112.6 Ų112.676%0.75577%0.774SS**  trans-70.4162.4-168-47.90000119.4
289S32.1Very low30.4Very low103 Ų103112.6 Ų112.672%0.7278%0.782SS**  trans67.1122.2134.460.40000123.3
290S30.7Very low30.5Very low112 Ų112115.1 Ų115.178%0.78379%0.79SS**  trans70.8117.4133.462.20000122.9
291A31.1Very low30.9Very low81 Ų81116.6 Ų116.667%0.66979%0.793SS**  trans95.1130.8130.500000121.5
292M35Very low31.4Very low185 Ų185117.7 Ų117.791%0.91180%0.798SS**  trans61.7168.814274.9-149.7-104.400121.7
293A32.1Very low31.4Very low97 Ų97113.9 Ų113.980%0.80279%0.787SS**  trans70.490.4174.300000118.1
294S31Very low31.6Very low111 Ų111113 Ų11378%0.77678%0.777SS**  trans-42.6164.4159.9-41.10000117.9
295S29.5Very low32.3Very low102 Ų102112.7 Ų112.771%0.71376%0.76SS**  trans96.4138.4143-57.30000119.9
296L32.6Very low32.7Very low166 Ų166113.5 Ų113.587%0.86976%0.76SS**  trans70.8144161.9-59.6156.6000116.3
297T33.4Very low33Very low111 Ų111112.9 Ų112.968%0.68176%0.762SS**  cis-160.4153.5-15.5-177.50000111
298S31.3Very low33.7Very low118 Ų118115.6 Ų115.683%0.82576%0.756SS**  trans29.1125.2150.9-48.80000121.4
299G25.2Very low34Very low75 Ų75119.1 Ų119.177%0.77376%0.763SS**  trans-155.632.3-176.900000119.5
300L32Very low34.2Very low184 Ų184119 Ų11996%0.96376%0.762SS**  trans82.3147.2165.7-52.4174.8000120.6
301N38.6Very low34.9Very low146 Ų146121.1 Ų121.178%0.78176%0.76SS**  trans-90.8175.5178.9-132.1-17.5000109.3G303N301-G303 PolarHBondContact OD1-N 2.65Å
302P39Very low35.9Very low126 Ų126124.6 Ų124.682%0.81876%0.762SS**  cis-145.6132.538.136.3-12.7000119.5
303G27.2Very low37Very low60 Ų60119.6 Ų119.662%0.61974%0.743SS**  69.696.3120.600000122.6N301N301-G303 PolarHBondContact OD1-N 2.65Å
304G30.3Very low39.2Very low60 Ų60118.3 Ų118.362%0.61973%0.728SS**  trans-145159.6156.400000113.4K25K25-G304 PolarHBondContact NZ-O 2.8Å
305Q45Very low41.7Very low90 Ų90115.2 Ų115.242%0.42170%0.703SS.*  trans-147.9128.9169.1-95.2172.2-1.900107K25K25-Q305 HydrophobicContact CB-CB 4Å; K25-Q305 HydrophobicContact CD-CB 3.78Å; K25-Q305 HydrophobicContact CD-CG 3.73Å; K25-Q305 HydrophobicContact CG-CB 4.03Å; K25-Q305 HydrophobicContact CG-CG 4.06Å
306T38.4Very low44.5Very low126 Ų126114.7 Ų114.777%0.77369%0.692SS**  trans175.874.8157.4190000109.2
307A37.2Very low47.2Very low103 Ų103112.3 Ų112.385%0.85168%0.676SS**  trans-163.691.2171.900000111.9
308H43.4Very low50Low164 Ų164111.6 Ų111.676%0.75967%0.665SS**  trans-159.158.4162.2-173.2-77.5000109.3
309M39Very low53Low182 Ų182106.1 Ų106.190%0.89763%0.627SS**SBendtrans-151.948.1177.6-79.5-72.194.300109.9
310S36.4Very low56.3Low99 Ų99105.5 Ų105.569%0.69260%0.604SS**  trans-15611.1-178.8-163.10000116.4
311E46.3Very low59.3Low158 Ų158101.4 Ų101.474%0.73858%0.58SS**  trans-100-12.2-174.8-152.1168.8124.600114.1S314E311-S314 PolarHBondContact O-N 3.37Å
312E51.2Low62Low154 Ų15495.6 Ų95.672%0.7255%0.547SS*.Hα-helixtrans-61.9-38.4175.1-168169.4177.400115.6S314E312-S314 VanDerWaalsContact C-N 3.27Å; E312-S314 PolarHBondContact O-N 3.08Å
313P58.1Low64.8Low79 Ų7989.7 Ų89.751%0.51351%0.51SS..Hα-helixtrans-67-28.9177.826.6-34.3000112.6L316 E317P313-L316 PolarHBondContact O-N 3.28Å; P313-E317 WeakPolarHBondContact O-CB 3.39Å; P313-E317 PolarHBondContact O-N 3.49Å
314S78.9Confident68Low71 Ų7194.1 Ų94.150%0.49751%0.508SS..Hα-helixtrans-69.1-51.6-173.6-54.80000113.1E311 E312 L316 E317 E318E311-S314 PolarHBondContact O-N 3.37Å; E312-S314 VanDerWaalsContact C-N 3.27Å; E312-S314 PolarHBondContact O-N 3.08Å; S314-L316 VanDerWaalsContact C-N 3.27Å; S314-L316 PolarHBondContact O-N 3.22Å; S314-E317 PolarHBondContact O-N 3.13Å; S314-E318 WeakPolarHBondContact O-CB 3.26Å; S314-E318 PolarHBondContact O-N 3.48Å
315D83.3Confident71.2Confident46 Ų4693.6 Ų93.625%0.24649%0.492CS..Hα-helixtrans-70-25.6176.7-176.342.6000111.3L319 F367 C371 K374D315-L319 WeakPolarHBondContact O-CB 3.42Å; D315-L319 PolarHBondContact O-N 2.82Å; D315-F367 HydrophobicContact CB-CE2 4.44Å; D315-F367 HydrophobicContact CB-CZ 4.05Å; D315-F367 WeakPolarHBondContact OD2-CZ 3.24Å; D315-C371 PolarHBondContact OD2-SG 3.39Å; D315-K374 IonicContact OD1-NZ 2.68Å; D315-K374 PolarHBondContact OD1-NZ 3.31Å
316L88.5Confident73.6Confident91 Ų9189.3 Ų89.348%0.47647%0.472SS..Hα-helixtrans-68.1-44171.7-174.663.6000111.9P313 S314 E320 F367P313-L316 PolarHBondContact O-N 3.28Å; S314-L316 VanDerWaalsContact C-N 3.27Å; S314-L316 PolarHBondContact O-N 3.22Å; L316-E320 WeakPolarHBondContact O-CB 3.45Å; L316-E320 PolarHBondContact O-N 3.46Å; L316-F367 HydrophobicContact CB-CE2 4.31Å; L316-F367 HydrophobicContact CD1-CD2 4.09Å; L316-F367 HydrophobicContact CD1-CE2 4.37Å
317E89.1Confident76.4Confident115 Ų11587.9 Ų87.954%0.53746%0.455SS..Hα-helixtrans-67.8-45.2176.1-162.3-165.914100111.3P313 S314 L319 E320 Q321P313-E317 WeakPolarHBondContact O-CB 3.39Å; P313-E317 PolarHBondContact O-N 3.49Å; S314-E317 PolarHBondContact O-N 3.13Å; E317-L319 VanDerWaalsContact C-N 3.28Å; E317-L319 PolarHBondContact O-N 3.39Å; E317-E320 WeakPolarHBondContact O-CA 3.45Å; E317-E320 WeakPolarHBondContact O-CB 3.23Å; E317-E320 PolarHBondContact O-N 3.19Å; E317-E320 VanDerWaalsContact O-N 3.07Å; E317-Q321 WeakPolarHBondContact O-CG 3.25Å; E317-Q321 PolarHBondContact O-N 2.78Å; E317-Q321 PolarHBondContact OE1-NE2 3.33Å
318E92.3Very high79.2Confident96 Ų9689.7 Ų89.745%0.44945%0.446SS..Hα-helixtrans-61.2-38.3177.4-160.9-142.1129.300111.3S314 Q321 F322 K374S314-E318 WeakPolarHBondContact O-CB 3.26Å; S314-E318 PolarHBondContact O-N 3.48Å; E318-Q321 PolarHBondContact O-N 3.21Å; E318-F322 VanDerWaalsContact O-CB 3.26Å; E318-F322 WeakPolarHBondContact O-CB 3.2Å; E318-F322 PolarHBondContact O-N 3.46Å; E318-K374 WeakPolarHBondContact OE1-CE 3.47Å; E318-K374 IonicContact OE1-NZ 3.06Å; E318-K374 PolarHBondContact OE1-NZ 3.1Å; E318-K374 IonicContact OE2-NZ 2.71Å; E318-K374 PolarHBondContact OE2-NZ 2.77Å
319L93.4Very high81.7Confident3 Ų386.5 Ų86.52%0.01643%0.427CS..Hα-helixtrans-67.1-35.9173.3179.671.7000112.8D315 E317 A323 F360 F367 M370 K374D315-L319 WeakPolarHBondContact O-CB 3.42Å; D315-L319 PolarHBondContact O-N 2.82Å; E317-L319 VanDerWaalsContact C-N 3.28Å; E317-L319 PolarHBondContact O-N 3.39Å; L319-A323 WeakPolarHBondContact O-CB 3.34Å; L319-A323 PolarHBondContact O-N 3.12Å; L319-F360 HydrophobicContact CD1-CE2 4.29Å; L319-F360 HydrophobicContact CD1-CZ 4.13Å; L319-F367 HydrophobicContact CD2-CD2 4Å; L319-F367 HydrophobicContact CD2-CE2 4.23Å; L319-M370 HydrophobicContact CD1-CB 3.88Å; L319-M370 HydrophobicContact CD1-CE 3.94Å; L319-M370 HydrophobicContact CD2-CB 3.38Å; L319-M370 HydrophobicContact CD2-CE 4.04Å; L319-M370 HydrophobicContact CD2-CG 3.95Å; L319-M370 HydrophobicContact CG-CB 4.13Å; L319-M370 HydrophobicContact CG-CE 3.92Å; L319-K374 HydrophobicContact CD1-CB 4.14Å; L319-K374 HydrophobicContact CD1-CD 4.06Å; L319-K374 HydrophobicContact CD1-CG 4.35Å
320E94.2Very high84.4Confident63 Ų6379 Ų7929%0.29439%0.389SS..Hα-helixtrans-67.8-45.2173.2170.6167.2140.400111.6L316 E317 F322 A323 R324 L363L316-E320 WeakPolarHBondContact O-CB 3.45Å; L316-E320 PolarHBondContact O-N 3.46Å; E317-E320 WeakPolarHBondContact O-CA 3.45Å; E317-E320 WeakPolarHBondContact O-CB 3.23Å; E317-E320 PolarHBondContact O-N 3.19Å; E317-E320 VanDerWaalsContact O-N 3.07Å; E320-F322 VanDerWaalsContact C-N 3.34Å; E320-A323 PolarHBondContact O-N 3.48Å; E320-R324 VanDerWaalsContact CG-NH1 3.35Å; E320-R324 WeakPolarHBondContact O-CG 3.44Å; E320-R324 PolarHBondContact O-N 3.23Å; E320-R324 IonicContact OE1-CZ 2.7Å; E320-R324 IonicContact OE1-NH1 3.7Å; E320-R324 PolarHBondContact OE1-NH1 3.43Å; E320-R324 IonicContact OE1-NH2 3.81Å; E320-R324 PolarHBondContact OE1-NH2 3.2Å; E320-L363 HydrophobicContact CB-CD1 3.84Å; E320-L363 HydrophobicContact CG-CD1 3.89Å
321Q94.9Very high87.2Confident98 Ų9878.9 Ų78.946%0.45838%0.38SS..Hα-helixtrans-59.9-44.2172.4-67.4-179.62500110.9E317 E318 R324 T325E317-Q321 WeakPolarHBondContact O-CG 3.25Å; E317-Q321 PolarHBondContact O-N 2.78Å; E317-Q321 PolarHBondContact OE1-NE2 3.33Å; E318-Q321 PolarHBondContact O-N 3.21Å; Q321-R324 PolarHBondContact O-N 3.44Å; Q321-T325 VanDerWaalsContact O-CB 3.25Å; Q321-T325 WeakPolarHBondContact O-CB 3.46Å; Q321-T325 PolarHBondContact O-N 3.04Å; Q321-T325 PolarHBondContact O-OG1 3.05Å
322F96.6Very high89.5Confident23 Ų2380 Ų8010%0.10138%0.382CS..Hα-helixtrans-62.6-47.2175.6178.4-92.4000111.8E318 E320 R324 T325 F326 F360 K374 L377 E378E318-F322 VanDerWaalsContact O-CB 3.26Å; E318-F322 WeakPolarHBondContact O-CB 3.2Å; E318-F322 PolarHBondContact O-N 3.46Å; E320-F322 VanDerWaalsContact C-N 3.34Å; F322-R324 VanDerWaalsContact C-N 3.32Å; F322-R324 PolarHBondContact O-N 3.34Å; F322-T325 PolarHBondContact O-N 3.13Å; F322-F326 HydrophobicContact CD1-CB 4.46Å; F322-F326 HydrophobicContact CE1-CB 4.04Å; F322-F326 HydrophobicContact CE1-CD2 4.32Å; F322-F326 HydrophobicContact CE1-CG 4.37Å; F322-F326 HydrophobicContact CZ-CB 4.16Å; F322-F326 HydrophobicContact CZ-CD2 4.04Å; F322-F326 HydrophobicContact CZ-CG 4.44Å; F322-F326 WeakPolarHBondContact O-CB 3.29Å; F322-F326 PolarHBondContact O-N 3.21Å; F322-F360 AromaticContact CD1-CE1 3.65Å; F322-F360 HydrophobicContact CD1-CE1 3.65Å; F322-F360 AromaticContact CD1-CZ 3.57Å; F322-F360 HydrophobicContact CD1-CZ 3.57Å; F322-F360 AromaticContact CE1-CE1 3.53Å; F322-F360 HydrophobicContact CE1-CE1 3.53Å; F322-F360 AromaticContact CE1-CZ 3.54Å; F322-F360 HydrophobicContact CE1-CZ 3.54Å; F322-K374 HydrophobicContact CD1-CG 4.2Å; F322-K374 HydrophobicContact CE1-CG 4.49Å; F322-K374 HydrophobicContact CG-CG 4.31Å; F322-L377 HydrophobicContact CE1-CB 4.09Å; F322-L377 HydrophobicContact CZ-CB 4.06Å; F322-E378 HydrophobicContact CE2-CB 3.57Å; F322-E378 HydrophobicContact CE2-CG 3.93Å; F322-E378 HydrophobicContact CZ-CB 3.72Å
323A96.8Very high91.5Very high3 Ų374.7 Ų74.73%0.02536%0.359CS..Hα-helixtrans-61.9-38.4-179.800000112.5L319 E320 K327 F360 L363L319-A323 WeakPolarHBondContact O-CB 3.34Å; L319-A323 PolarHBondContact O-N 3.12Å; E320-A323 PolarHBondContact O-N 3.48Å; A323-K327 VanDerWaalsContact O-CB 3.31Å; A323-K327 WeakPolarHBondContact O-CB 3.29Å; A323-K327 PolarHBondContact O-N 2.87Å; A323-K327 VanDerWaalsContact O-N 3.12Å; A323-F360 HydrophobicContact CB-CD1 4.45Å; A323-F360 HydrophobicContact CB-CE1 4.11Å; A323-L363 HydrophobicContact CB-CD2 3.6Å
324R95.5Very high93.1Very high153 Ų15374 Ų7458%0.57737%0.365SS*.Hα-helixtrans-64.6-49.6171.5-72.1-177.1179.712211.2111.8E320 Q321 F322 K327 Q328E320-R324 VanDerWaalsContact CG-NH1 3.35Å; E320-R324 WeakPolarHBondContact O-CG 3.44Å; E320-R324 PolarHBondContact O-N 3.23Å; E320-R324 IonicContact OE1-CZ 2.7Å; E320-R324 IonicContact OE1-NH1 3.7Å; E320-R324 PolarHBondContact OE1-NH1 3.43Å; E320-R324 IonicContact OE1-NH2 3.81Å; E320-R324 PolarHBondContact OE1-NH2 3.2Å; Q321-R324 PolarHBondContact O-N 3.44Å; F322-R324 VanDerWaalsContact C-N 3.32Å; F322-R324 PolarHBondContact O-N 3.34Å; R324-K327 PolarHBondContact O-N 2.93Å; R324-Q328 WeakPolarHBondContact O-CB 3.43Å; R324-Q328 PolarHBondContact O-N 2.95Å
325T95.6Very high93.9Very high49 Ų4974 Ų7430%0.30136%0.357SS..Hα-helixtrans-63.3-45.1-177.5-610000111.6Q321 F322 Q328 R329Q321-T325 VanDerWaalsContact O-CB 3.25Å; Q321-T325 WeakPolarHBondContact O-CB 3.46Å; Q321-T325 PolarHBondContact O-N 3.04Å; Q321-T325 PolarHBondContact O-OG1 3.05Å; F322-T325 PolarHBondContact O-N 3.13Å; T325-Q328 PolarHBondContact O-N 3.36Å; T325-R329 HydrophobicContact CG2-CG 4.41Å; T325-R329 VanDerWaalsContact CG2-NE 3.32Å; T325-R329 WeakPolarHBondContact O-CB 3.28Å; T325-R329 WeakPolarHBondContact O-CG 3.44Å; T325-R329 PolarHBondContact O-N 2.89Å
326F97.2Very high94.4Very high0 Ų075.3 Ų75.30%037%0.366CS..Hα-helixtrans-55.1-54.1172.4177.7-89.4000110.8F322 Q328 R329 R330 V340 I357 E361 L377 W380 L381F322-F326 HydrophobicContact CD1-CB 4.46Å; F322-F326 HydrophobicContact CE1-CB 4.04Å; F322-F326 HydrophobicContact CE1-CD2 4.32Å; F322-F326 HydrophobicContact CE1-CG 4.37Å; F322-F326 HydrophobicContact CZ-CB 4.16Å; F322-F326 HydrophobicContact CZ-CD2 4.04Å; F322-F326 HydrophobicContact CZ-CG 4.44Å; F322-F326 WeakPolarHBondContact O-CB 3.29Å; F322-F326 PolarHBondContact O-N 3.21Å; F326-Q328 VanDerWaalsContact C-N 3.32Å; F326-Q328 PolarHBondContact O-N 2.89Å; F326-R329 PolarHBondContact O-N 3.05Å; F326-R330 HydrophobicContact CE1-CB 4.43Å; F326-R330 HydrophobicContact CE1-CG 4.41Å; F326-R330 WeakPolarHBondContact O-CB 3.42Å; F326-R330 PolarHBondContact O-N 2.74Å; F326-V340 HydrophobicContact CZ-CG1 4.01Å; F326-V340 HydrophobicContact CZ-CG2 4.46Å; F326-I357 HydrophobicContact CE1-CG2 4.04Å; F326-E361 HydrophobicContact CD1-CG 4.09Å; F326-E361 HydrophobicContact CE1-CG 4.34Å; F326-L377 HydrophobicContact CD2-CB 3.92Å; F326-L377 HydrophobicContact CE2-CB 3.67Å; F326-L377 HydrophobicContact CE2-CD2 4.26Å; F326-L377 HydrophobicContact CE2-CG 4.36Å; F326-L377 HydrophobicContact CZ-CB 4.31Å; F326-L377 HydrophobicContact CZ-CD1 4.48Å; F326-L377 HydrophobicContact CZ-CD2 4.11Å; F326-W380 AromaticContact CE2-CE3 3.82Å; F326-W380 HydrophobicContact CE2-CE3 3.82Å; F326-W380 AromaticContact CE2-CZ3 3.8Å; F326-W380 HydrophobicContact CE2-CZ3 3.8Å; F326-W380 HydrophobicContact CZ-CE3 4.18Å; F326-W380 AromaticContact CZ-CZ3 3.89Å; F326-W380 HydrophobicContact CZ-CZ3 3.89Å; F326-L381 HydrophobicContact CB-CD2 4.45Å; F326-L381 HydrophobicContact CD2-CB 4.34Å; F326-L381 HydrophobicContact CD2-CD1 4.11Å; F326-L381 HydrophobicContact CD2-CD2 3.97Å; F326-L381 HydrophobicContact CD2-CG 4.4Å; F326-L381 HydrophobicContact CE2-CB 4.44Å; F326-L381 HydrophobicContact CE2-CD1 4.2Å
327K96.8Very high94.7Very high95 Ų9572.8 Ų72.841%0.41335%0.352SS..Hα-helixtrans-57-44.4178.9-176.3-178.9-176.9179.60111.9A323 R324 I331 E361A323-K327 VanDerWaalsContact O-CB 3.31Å; A323-K327 WeakPolarHBondContact O-CB 3.29Å; A323-K327 PolarHBondContact O-N 2.87Å; A323-K327 VanDerWaalsContact O-N 3.12Å; R324-K327 PolarHBondContact O-N 2.93Å; K327-I331 HydrophobicContact CG-CD1 4Å; K327-I331 WeakPolarHBondContact O-CB 3.37Å; K327-I331 WeakPolarHBondContact O-CD1 3.39Å; K327-I331 WeakPolarHBondContact O-CG1 3.37Å; K327-I331 PolarHBondContact O-N 2.94Å; K327-I331 VanDerWaalsContact O-N 3.09Å; K327-E361 HydrophobicContact CB-CB 4.49Å; K327-E361 HydrophobicContact CB-CG 4.05Å; K327-E361 HydrophobicContact CD-CB 4.31Å; K327-E361 HydrophobicContact CG-CG 4.32Å
328Q95.9Very high94.9Very high142 Ų14268.6 Ų68.666%0.66434%0.34SS*.Hα-helixtrans-66.3-49.2-179.4-171.8179.213.400112.1R324 T325 F326 I331 K332R324-Q328 WeakPolarHBondContact O-CB 3.43Å; R324-Q328 PolarHBondContact O-N 2.95Å; T325-Q328 PolarHBondContact O-N 3.36Å; F326-Q328 VanDerWaalsContact C-N 3.32Å; F326-Q328 PolarHBondContact O-N 2.89Å; Q328-I331 PolarHBondContact O-N 3.25Å; Q328-K332 WeakPolarHBondContact O-CB 3.42Å; Q328-K332 PolarHBondContact O-N 3.49Å
329R95.7Very high95Very high96 Ų9667.6 Ų67.636%0.36234%0.338SS..Hα-helixtrans-64-43.7178-70.1170.2178.6-158.719.5111.5T325 F326 I331 K332 L333 L381 E385T325-R329 HydrophobicContact CG2-CG 4.41Å; T325-R329 VanDerWaalsContact CG2-NE 3.32Å; T325-R329 WeakPolarHBondContact O-CB 3.28Å; T325-R329 WeakPolarHBondContact O-CG 3.44Å; T325-R329 PolarHBondContact O-N 2.89Å; F326-R329 PolarHBondContact O-N 3.05Å; R329-I331 VanDerWaalsContact C-N 3.31Å; R329-I331 PolarHBondContact O-N 2.75Å; R329-K332 WeakPolarHBondContact O-CB 3.47Å; R329-K332 PolarHBondContact O-N 2.79Å; R329-K332 VanDerWaalsContact O-N 3.09Å; R329-L333 WeakPolarHBondContact O-CB 3.46Å; R329-L333 VanDerWaalsContact O-CG 3.29Å; R329-L333 WeakPolarHBondContact O-CG 3.32Å; R329-L333 PolarHBondContact O-N 3.41Å; R329-L381 HydrophobicContact CB-CD1 3.88Å; R329-L381 HydrophobicContact CB-CD2 4.02Å; R329-L381 HydrophobicContact CB-CG 4.24Å; R329-L381 VanDerWaalsContact CD-CD2 3.48Å; R329-L381 HydrophobicContact CG-CD2 4.41Å; R329-E385 WeakPolarHBondContact CD-OE1 3.46Å; R329-E385 VanDerWaalsContact CG-OE1 3.3Å; R329-E385 WeakPolarHBondContact CG-OE1 3.42Å; R329-E385 IonicContact CZ-OE1 3.98Å; R329-E385 IonicContact CZ-OE2 3.61Å; R329-E385 IonicContact NE-OE1 3.62Å; R329-E385 IonicContact NE-OE2 3.89Å; R329-E385 IonicContact NH1-OE1 3.73Å; R329-E385 IonicContact NH1-OE2 2.68Å; R329-E385 PolarHBondContact NH1-OE2 3.4Å
330R95.9Very high95Very high25 Ų2567.4 Ų67.49%0.09434%0.337CS..Hα-helixtrans-56.1-42.4174.9-166.9-139.884.5-142.5-0.4112.4F326 G334 F335 V340 E361 W380F326-R330 HydrophobicContact CE1-CB 4.43Å; F326-R330 HydrophobicContact CE1-CG 4.41Å; F326-R330 WeakPolarHBondContact O-CB 3.42Å; F326-R330 PolarHBondContact O-N 2.74Å; R330-G334 PolarHBondContact O-N 3.46Å; R330-F335 HydrophobicContact CG-CB 4.07Å; R330-F335 PolarHBondContact NE-O 3.05Å; R330-F335 PolarHBondContact NH2-O 2.85Å; R330-F335 PolarHBondContact O-N 2.97Å; R330-F335 VanDerWaalsContact O-N 3.09Å; R330-V340 HydrophobicContact CG-CG2 3.59Å; R330-E361 WeakPolarHBondContact CD-OE1 3.5Å; R330-E361 IonicContact CZ-OE1 2.71Å; R330-E361 IonicContact NE-OE1 2.9Å; R330-E361 IonicContact NH1-OE1 2.78Å; R330-E361 PolarHBondContact NH1-OE1 3.33Å; R330-E361 IonicContact NH1-OE2 2.75Å; R330-E361 PolarHBondContact NH1-OE2 2.81Å; R330-W380 HydrophobicContact CG-CH2 4.16Å; R330-W380 HydrophobicContact CG-CZ3 4.3Å
331I94.2Very high94.9Very high96 Ų9664.5 Ų64.549%0.49232%0.323SS..Hα-helixtrans-69.2-43174.2-68.5165.9000111.3K327 Q328 R329 L333 G334K327-I331 HydrophobicContact CG-CD1 4Å; K327-I331 WeakPolarHBondContact O-CB 3.37Å; K327-I331 WeakPolarHBondContact O-CD1 3.39Å; K327-I331 WeakPolarHBondContact O-CG1 3.37Å; K327-I331 PolarHBondContact O-N 2.94Å; K327-I331 VanDerWaalsContact O-N 3.09Å; Q328-I331 PolarHBondContact O-N 3.25Å; R329-I331 VanDerWaalsContact C-N 3.31Å; R329-I331 PolarHBondContact O-N 2.75Å; I331-L333 VanDerWaalsContact C-N 3.26Å; I331-L333 PolarHBondContact O-N 2.69Å; I331-G334 PolarHBondContact O-N 2.76Å
332K95.1Very high94.7Very high182 Ų18264.7 Ų64.779%0.79133%0.331SS*.Hα-helixtrans-60.3-34.6177.9-173.6-173.7175.4-168.40112.6Q328 R329 G334Q328-K332 WeakPolarHBondContact O-CB 3.42Å; Q328-K332 PolarHBondContact O-N 3.49Å; R329-K332 WeakPolarHBondContact O-CB 3.47Å; R329-K332 PolarHBondContact O-N 2.79Å; R329-K332 VanDerWaalsContact O-N 3.09Å; K332-G334 VanDerWaalsContact C-N 3.27Å
333L92.7Very high94.4Very high43 Ų4365 Ų6523%0.22534%0.338CS..THydrogen-bonded Turntrans-80.2-0.8174.3-65.6168.9000113.7R329 I331 F335 L381 A384 E385 A388R329-L333 WeakPolarHBondContact O-CB 3.46Å; R329-L333 VanDerWaalsContact O-CG 3.29Å; R329-L333 WeakPolarHBondContact O-CG 3.32Å; R329-L333 PolarHBondContact O-N 3.41Å; I331-L333 VanDerWaalsContact C-N 3.26Å; I331-L333 PolarHBondContact O-N 2.69Å; L333-F335 VanDerWaalsContact C-N 3.27Å; L333-F335 HydrophobicContact CB-CD2 3.58Å; L333-F335 HydrophobicContact CB-CE2 3.88Å; L333-F335 HydrophobicContact CD1-CD2 4.25Å; L333-F335 HydrophobicContact CD1-CE2 4.29Å; L333-F335 PolarHBondContact O-N 2.9Å; L333-L381 HydrophobicContact CD1-CD1 4.33Å; L333-A384 HydrophobicContact CD1-CB 4.14Å; L333-E385 HydrophobicContact CD1-CG 3.86Å; L333-E385 HydrophobicContact CD2-CG 4.35Å; L333-E385 HydrophobicContact CG-CG 4.49Å; L333-A388 HydrophobicContact CD2-CB 3.41Å; L333-A388 VanDerWaalsContact CD2-CB 3.41Å
334G92.9Very high94.1Very high63 Ų6364.8 Ų64.865%0.64934%0.336SS*.THydrogen-bonded Turntrans77.6-3-18000000116R330 I331 K332R330-G334 PolarHBondContact O-N 3.46Å; I331-G334 PolarHBondContact O-N 2.76Å; K332-G334 VanDerWaalsContact C-N 3.27Å
335F94.4Very high93.7Very high72 Ų7258.1 Ų58.132%0.31632%0.315SS..  trans-71.7134.7-177.5-68.8-67.2000112.6R330 L333 D339 V340 W380 A384R330-F335 HydrophobicContact CG-CB 4.07Å; R330-F335 PolarHBondContact NE-O 3.05Å; R330-F335 PolarHBondContact NH2-O 2.85Å; R330-F335 PolarHBondContact O-N 2.97Å; R330-F335 VanDerWaalsContact O-N 3.09Å; L333-F335 VanDerWaalsContact C-N 3.27Å; L333-F335 HydrophobicContact CB-CD2 3.58Å; L333-F335 HydrophobicContact CB-CE2 3.88Å; L333-F335 HydrophobicContact CD1-CD2 4.25Å; L333-F335 HydrophobicContact CD1-CE2 4.29Å; L333-F335 PolarHBondContact O-N 2.9Å; F335-D339 HydrophobicContact CD1-CB 4.02Å; F335-V340 HydrophobicContact CB-CG2 4.43Å; F335-W380 HydrophobicContact CB-CH2 4.26Å; F335-W380 HydrophobicContact CD1-CZ2 4.48Å; F335-W380 AromaticContact CD2-CH2 3.77Å; F335-W380 HydrophobicContact CD2-CH2 3.77Å; F335-W380 AromaticContact CD2-CZ2 3.82Å; F335-W380 HydrophobicContact CD2-CZ2 3.82Å; F335-W380 HydrophobicContact CE2-CH2 4.38Å; F335-W380 HydrophobicContact CE2-CZ2 4.08Å; F335-W380 HydrophobicContact CG-CH2 4.09Å; F335-W380 HydrophobicContact CG-CZ2 4.05Å; F335-A384 HydrophobicContact CE2-CB 4.07Å
336T95.5Very high93.1Very high74 Ų7465 Ų6545%0.45434%0.34SS..  trans-80.6161.3166.479.90000110.8G338 D339 V340T336-G338 PolarHBondContact O-N 3.4Å; T336-G338 VanDerWaalsContact O-N 3.15Å; T336-G338 PolarHBondContact OG1-N 3.43Å; T336-D339 WeakPolarHBondContact CA-OD2 3.32Å; T336-D339 WeakPolarHBondContact CB-OD2 3.44Å; T336-D339 VanDerWaalsContact CG2-OD2 3.31Å; T336-D339 WeakPolarHBondContact CG2-OD2 3.37Å; T336-D339 PolarHBondContact N-OD2 3.07Å; T336-D339 PolarHBondContact O-N 3.05Å; T336-D339 VanDerWaalsContact O-N 3.12Å; T336-D339 PolarHBondContact OG1-N 3.32Å; T336-D339 PolarHBondContact OG1-OD2 3.39Å; T336-V340 WeakPolarHBondContact O-CG2 3.46Å; T336-V340 PolarHBondContact O-N 3.34Å
337Q94.8Very high92.3Very high37 Ų3769.4 Ų69.417%0.17336%0.364CS..Hα-helixtrans-60.2-20.3172.3-66.9172-20.600113.4G341 Q354 I357 S358 E361Q337-G341 PolarHBondContact O-N 3.22Å; Q337-Q354 HydrophobicContact CB-CG 3.89Å; Q337-I357 HydrophobicContact CB-CB 4.19Å; Q337-I357 HydrophobicContact CB-CG2 4.15Å; Q337-I357 HydrophobicContact CG-CB 4.45Å; Q337-I357 HydrophobicContact CG-CG2 4.03Å; Q337-S358 PolarHBondContact NE2-OG 3.21Å; Q337-E361 PolarHBondContact NE2-OE2 3.06Å
338G92.8Very high91.6Very high28 Ų2868.5 Ų68.529%0.28936%0.358SS..Hα-helixtrans-74.2-45.4172.700000111.7T336 V340 G341 V342T336-G338 PolarHBondContact O-N 3.4Å; T336-G338 VanDerWaalsContact O-N 3.15Å; T336-G338 PolarHBondContact OG1-N 3.43Å; G338-V340 PolarHBondContact O-N 3.46Å; G338-G341 WeakPolarHBondContact O-CA 3.34Å; G338-G341 PolarHBondContact O-N 3.31Å; G338-V342 PolarHBondContact O-N 2.91Å
339D93.4Very high90.8Very high74 Ų7464.3 Ų64.340%0.39635%0.353SS..Hα-helixtrans-65.8-41.7-177-47.6-46.8000111.5F335 T336 G341 V342 A343F335-D339 HydrophobicContact CD1-CB 4.02Å; T336-D339 WeakPolarHBondContact CA-OD2 3.32Å; T336-D339 WeakPolarHBondContact CB-OD2 3.44Å; T336-D339 VanDerWaalsContact CG2-OD2 3.31Å; T336-D339 WeakPolarHBondContact CG2-OD2 3.37Å; T336-D339 PolarHBondContact N-OD2 3.07Å; T336-D339 PolarHBondContact O-N 3.05Å; T336-D339 VanDerWaalsContact O-N 3.12Å; T336-D339 PolarHBondContact OG1-N 3.32Å; T336-D339 PolarHBondContact OG1-OD2 3.39Å; D339-G341 VanDerWaalsContact C-N 3.26Å; D339-G341 PolarHBondContact O-N 2.99Å; D339-V342 PolarHBondContact O-N 3.34Å; D339-A343 WeakPolarHBondContact O-CB 3.36Å; D339-A343 PolarHBondContact O-N 2.97Å
340V94.1Very high90.2Very high0 Ų063.2 Ų63.20%036%0.355CS..Hα-helixtrans-53.3-48.2168.6-177.40000110.2F326 R330 F335 T336 G338 V342 A343 M344 I357 L377 W380F326-V340 HydrophobicContact CZ-CG1 4.01Å; F326-V340 HydrophobicContact CZ-CG2 4.46Å; R330-V340 HydrophobicContact CG-CG2 3.59Å; F335-V340 HydrophobicContact CB-CG2 4.43Å; T336-V340 WeakPolarHBondContact O-CG2 3.46Å; T336-V340 PolarHBondContact O-N 3.34Å; G338-V340 PolarHBondContact O-N 3.46Å; V340-V342 VanDerWaalsContact C-N 3.27Å; V340-V342 PolarHBondContact O-N 2.9Å; V340-A343 PolarHBondContact O-N 3.48Å; V340-M344 HydrophobicContact CG1-CE 4Å; V340-M344 HydrophobicContact CG1-CG 4.1Å; V340-M344 VanDerWaalsContact O-CB 3.3Å; V340-M344 WeakPolarHBondContact O-CB 3.34Å; V340-M344 WeakPolarHBondContact O-CG 3.23Å; V340-M344 PolarHBondContact O-N 3.44Å; V340-I357 HydrophobicContact CB-CD1 4.44Å; V340-I357 HydrophobicContact CB-CG1 4.26Å; V340-I357 HydrophobicContact CG1-CD1 3.76Å; V340-I357 HydrophobicContact CG1-CG1 4.11Å; V340-I357 HydrophobicContact CG1-CG2 4.44Å; V340-L377 HydrophobicContact CG1-CD2 4.42Å; V340-W380 HydrophobicContact CB-CH2 4.4Å; V340-W380 HydrophobicContact CG1-CD2 4.45Å; V340-W380 HydrophobicContact CG1-CE3 4.18Å; V340-W380 HydrophobicContact CG1-CH2 4.4Å; V340-W380 HydrophobicContact CG1-CZ3 4.16Å; V340-W380 HydrophobicContact CG2-CH2 3.52Å; V340-W380 HydrophobicContact CG2-CZ2 4.03Å; V340-W380 HydrophobicContact CG2-CZ3 3.86Å
341G93.1Very high89.7Confident1 Ų164.2 Ų64.21%0.0136%0.362CS..Hα-helixtrans-57.3-38.4-179.600000113.7Q337 G338 D339 D351 F352Q337-G341 PolarHBondContact O-N 3.22Å; G338-G341 WeakPolarHBondContact O-CA 3.34Å; G338-G341 PolarHBondContact O-N 3.31Å; D339-G341 VanDerWaalsContact C-N 3.26Å; D339-G341 PolarHBondContact O-N 2.99Å; G341-D351 CarbonylContact O-C 3.52Å; G341-D351 VanDerWaalsContact O-CA 3.32Å; G341-D351 WeakPolarHBondContact O-CA 3.4Å; G341-F352 CarbonylContact C-O 2.79Å; G341-F352 WeakPolarHBondContact CA-O 3.49Å; G341-F352 PolarHBondContact O-N 3.21Å
342V90.4Very high89.6Confident102 Ų10261.1 Ų61.162%0.61835%0.345SS*.Hα-helixtrans-79.8-43.1178.3177.20000112G338 D339 V340 M344 G345 K346G338-V342 PolarHBondContact O-N 2.91Å; D339-V342 PolarHBondContact O-N 3.34Å; V340-V342 VanDerWaalsContact C-N 3.27Å; V340-V342 PolarHBondContact O-N 2.9Å; V342-M344 VanDerWaalsContact C-N 3.3Å; V342-M344 PolarHBondContact O-N 3.39Å; V342-G345 WeakPolarHBondContact O-CA 3.32Å; V342-G345 PolarHBondContact O-N 2.9Å; V342-K346 PolarHBondContact O-N 3.39Å
343A90Very high89.4Confident29 Ų2954.7 Ų54.724%0.2432%0.323CS..Hα-helixtrans-60.7-39.5177.500000111.9D339 V340 G345 K346 L347D339-A343 WeakPolarHBondContact O-CB 3.36Å; D339-A343 PolarHBondContact O-N 2.97Å; V340-A343 PolarHBondContact O-N 3.48Å; A343-G345 VanDerWaalsContact C-N 3.27Å; A343-G345 PolarHBondContact O-N 3.33Å; A343-K346 WeakPolarHBondContact O-CB 3.47Å; A343-K346 PolarHBondContact O-N 3Å; A343-L347 PolarHBondContact O-N 3.26Å; A343-L347 VanDerWaalsContact O-N 3.15Å
344M89.3Confident89.4Confident0 Ų056.8 Ų56.80%033%0.331CS..Hα-helixtrans-56.5-39.2170.2-71.3-84156.600112.9V340 V342 K346 L347 Y348 F352 L377 W380V340-M344 HydrophobicContact CG1-CE 4Å; V340-M344 HydrophobicContact CG1-CG 4.1Å; V340-M344 VanDerWaalsContact O-CB 3.3Å; V340-M344 WeakPolarHBondContact O-CB 3.34Å; V340-M344 WeakPolarHBondContact O-CG 3.23Å; V340-M344 PolarHBondContact O-N 3.44Å; V342-M344 VanDerWaalsContact C-N 3.3Å; V342-M344 PolarHBondContact O-N 3.39Å; M344-K346 VanDerWaalsContact C-N 3.34Å; M344-L347 PolarHBondContact O-N 3.43Å; M344-Y348 HydrophobicContact CE-CE2 4.47Å; M344-Y348 WeakPolarHBondContact O-CB 3.31Å; M344-Y348 PolarHBondContact O-N 2.9Å; M344-Y348 HydrophobicContact SD-CD2 3.77Å; M344-Y348 HydrophobicContact SD-CE2 3.72Å; M344-F352 HydrophobicContact CB-CD2 3.67Å; M344-F352 HydrophobicContact CB-CE2 4.33Å; M344-F352 HydrophobicContact CG-CD2 3.72Å; M344-F352 HydrophobicContact CG-CE2 4.41Å; M344-F352 HydrophobicContact SD-CD2 3.85Å; M344-F352 HydrophobicContact SD-CE2 4.01Å; M344-L377 HydrophobicContact CE-CD2 3.53Å; M344-L377 HydrophobicContact SD-CD2 4.07Å; M344-W380 HydrophobicContact CE-CB 3.21Å; M344-W380 HydrophobicContact CE-CD2 3.79Å; M344-W380 HydrophobicContact CE-CE3 4.06Å; M344-W380 HydrophobicContact CE-CG 3.43Å; M344-W380 VanDerWaalsContact CE-CG 3.43Å; M344-W380 HydrophobicContact SD-CB 4.46Å
345G88Confident89.5Confident12 Ų1257.2 Ų57.212%0.12432%0.321CS..Hα-helixtrans-64-38.7177.300000112.9V342 A343 G349 D351V342-G345 WeakPolarHBondContact O-CA 3.32Å; V342-G345 PolarHBondContact O-N 2.9Å; A343-G345 VanDerWaalsContact C-N 3.27Å; A343-G345 PolarHBondContact O-N 3.33Å; G345-G349 WeakPolarHBondContact O-CA 3.42Å; G345-G349 PolarHBondContact O-N 3.05Å; G345-D351 WeakPolarHBondContact CA-OD1 3.45Å
346K83.6Confident89.5Confident193 Ų19355.3 Ų55.384%0.83932%0.316SS*.Hα-helixtrans-67.5-37.2176.2-170.5179.4178.3-1760112.7V342 A343 M344V342-K346 PolarHBondContact O-N 3.39Å; A343-K346 WeakPolarHBondContact O-CB 3.47Å; A343-K346 PolarHBondContact O-N 3Å; M344-K346 VanDerWaalsContact C-N 3.34Å
347L79.1Confident89.5Confident94 Ų9451.9 Ų51.949%0.49229%0.294SS..Hα-helixtrans-88.9-35.3-176.4-65.5174.5000114.3A343 M344A343-L347 PolarHBondContact O-N 3.26Å; A343-L347 VanDerWaalsContact O-N 3.15Å; M344-L347 PolarHBondContact O-N 3.43Å
348Y82.1Confident89.6Confident75 Ų7552.1 Ų52.129%0.29430%0.3SS..Hα-helixtrans-118.89.7-172-54.4-72.4000113.8M344 N350 L376 K379M344-Y348 HydrophobicContact CE-CE2 4.47Å; M344-Y348 WeakPolarHBondContact O-CB 3.31Å; M344-Y348 PolarHBondContact O-N 2.9Å; M344-Y348 HydrophobicContact SD-CD2 3.77Å; M344-Y348 HydrophobicContact SD-CE2 3.72Å; Y348-N350 PolarHBondContact O-N 3.17Å; Y348-N350 VanDerWaalsContact O-N 3.09Å; Y348-L376 HydrophobicContact CD1-CD2 3.89Å; Y348-L376 HydrophobicContact CE1-CD2 3.87Å; Y348-L376 HydrophobicContact CG-CD2 4.3Å; Y348-L376 PolarHBondContact OH-O 3.49Å; Y348-K379 WeakPolarHBondContact OH-CB 3.31Å; Y348-K379 WeakPolarHBondContact OH-CG 3.39Å
349G79.2Confident89.8Confident54 Ų5456.5 Ų56.556%0.55731%0.308SS*.SBendtrans72.1-0.6171.900000116.4G345G345-G349 WeakPolarHBondContact O-CA 3.42Å; G345-G349 PolarHBondContact O-N 3.05Å
350N84.3Confident90Very high74 Ų7453 Ų5340%0.39629%0.289SS..SBendtrans-143.6116.2175156.381.4000109Y348 R414Y348-N350 PolarHBondContact O-N 3.17Å; Y348-N350 VanDerWaalsContact O-N 3.09Å; N350-R414 PolarHBondContact OD1-NH2 2.7Å
351D85.4Confident90.1Very high46 Ų4653.7 Ų53.725%0.24629%0.293CS..PPolyproline II helixtrans-50.7157.1176-39.2-37.8000111.2G341 G345 R414G341-D351 CarbonylContact O-C 3.52Å; G341-D351 VanDerWaalsContact O-CA 3.32Å; G341-D351 WeakPolarHBondContact O-CA 3.4Å; G345-D351 WeakPolarHBondContact CA-OD1 3.45Å; D351-R414 VanDerWaalsContact C-NH1 3.34Å; D351-R414 PolarHBondContact O-NH1 3.21Å; D351-R414 PolarHBondContact O-NH2 3.23Å; D351-R414 VanDerWaalsContact OD2-CB 3.29Å; D351-R414 WeakPolarHBondContact OD2-CB 3.46Å
352F91Very high90.2Very high31 Ų3156.2 Ų56.214%0.13631%0.314CS..PPolyproline II helixtrans-103.8154.1156.3-72.1-61000110.2G341 M344 T356 I357 L373 L376G341-F352 CarbonylContact C-O 2.79Å; G341-F352 WeakPolarHBondContact CA-O 3.49Å; G341-F352 PolarHBondContact O-N 3.21Å; M344-F352 HydrophobicContact CB-CD2 3.67Å; M344-F352 HydrophobicContact CB-CE2 4.33Å; M344-F352 HydrophobicContact CG-CD2 3.72Å; M344-F352 HydrophobicContact CG-CE2 4.41Å; M344-F352 HydrophobicContact SD-CD2 3.85Å; M344-F352 HydrophobicContact SD-CE2 4.01Å; F352-T356 HydrophobicContact CB-CG2 4.45Å; F352-T356 HydrophobicContact CD1-CG2 3.86Å; F352-T356 HydrophobicContact CG-CG2 4.39Å; F352-I357 HydrophobicContact CB-CD1 3.84Å; F352-I357 HydrophobicContact CB-CG1 4.38Å; F352-I357 HydrophobicContact CG-CD1 4.5Å; F352-L373 HydrophobicContact CD1-CD2 4.31Å; F352-L373 HydrophobicContact CE1-CD2 3.65Å; F352-L373 HydrophobicContact CE2-CD2 4.03Å; F352-L373 HydrophobicContact CZ-CD2 3.49Å; F352-L373 VanDerWaalsContact CZ-CD2 3.49Å; F352-L376 HydrophobicContact CE2-CD1 4.13Å; F352-L376 HydrophobicContact CZ-CD1 3.98Å
353S90.4Very high90.3Very high46 Ų4654.3 Ų54.332%0.32230%0.3SS..PPolyproline II helixtrans-86.7151.3175.272.60000109T355 T356 I357S353-T355 PolarHBondContact O-N 2.97Å; S353-T355 VanDerWaalsContact O-N 3.1Å; S353-T356 PolarHBondContact N-OG1 2.87Å; S353-T356 WeakPolarHBondContact O-CA 3.2Å; S353-T356 VanDerWaalsContact O-CB 3.26Å; S353-T356 WeakPolarHBondContact O-CB 3.43Å; S353-T356 PolarHBondContact O-N 3.37Å; S353-T356 PolarHBondContact OG-N 2.77Å; S353-T356 PolarHBondContact OG-OG1 3.4Å; S353-I357 PolarHBondContact O-N 3.37Å; S353-I357 VanDerWaalsContact O-N 3.12Å
354Q93.5Very high90.6Very high88 Ų8857.8 Ų57.841%0.41131%0.314SS..Hα-helixtrans-46.5-41.5168.4172.3-77.7-24.500110.8Q337 T356 I357 S358Q337-Q354 HydrophobicContact CB-CG 3.89Å; Q354-T356 VanDerWaalsContact C-N 3.31Å; Q354-T356 PolarHBondContact O-N 3.08Å; Q354-I357 PolarHBondContact O-N 3.07Å; Q354-S358 VanDerWaalsContact O-CB 3.31Å; Q354-S358 WeakPolarHBondContact O-CB 3.45Å; Q354-S358 PolarHBondContact O-N 3.12Å
355T95.1Very high90.7Very high71 Ų7159.7 Ų59.744%0.43632%0.324SS..Hα-helixtrans-69.3-25.9179.6-44.70000112.9S353 R359S353-T355 PolarHBondContact O-N 2.97Å; S353-T355 VanDerWaalsContact O-N 3.1Å; T355-R359 VanDerWaalsContact O-CB 3.28Å; T355-R359 WeakPolarHBondContact O-CB 3.39Å; T355-R359 WeakPolarHBondContact O-CD 3.49Å; T355-R359 WeakPolarHBondContact O-CG 3.42Å; T355-R359 PolarHBondContact O-N 3.19Å; T355-R359 VanDerWaalsContact O-N 3.13Å
356T95.2Very high90.9Very high32 Ų3263.1 Ų63.120%0.19635%0.346CS..Hα-helixtrans-69.2-51171.1-49.80000110.1F352 S353 Q354 R359 F360 L373F352-T356 HydrophobicContact CB-CG2 4.45Å; F352-T356 HydrophobicContact CD1-CG2 3.86Å; F352-T356 HydrophobicContact CG-CG2 4.39Å; S353-T356 PolarHBondContact N-OG1 2.87Å; S353-T356 WeakPolarHBondContact O-CA 3.2Å; S353-T356 VanDerWaalsContact O-CB 3.26Å; S353-T356 WeakPolarHBondContact O-CB 3.43Å; S353-T356 PolarHBondContact O-N 3.37Å; S353-T356 PolarHBondContact OG-N 2.77Å; S353-T356 PolarHBondContact OG-OG1 3.4Å; Q354-T356 VanDerWaalsContact C-N 3.31Å; Q354-T356 PolarHBondContact O-N 3.08Å; T356-R359 PolarHBondContact O-N 3.37Å; T356-F360 PolarHBondContact O-N 3.12Å; T356-L373 HydrophobicContact CG2-CD1 3.99Å
357I95.4Very high91.3Very high2 Ų257.9 Ų57.91%0.0132%0.323CS..Hα-helixtrans-63-45.9-180-52.5-55.8000110.3F326 Q337 V340 F352 S353 Q354 R359 F360 E361 L377F326-I357 HydrophobicContact CE1-CG2 4.04Å; Q337-I357 HydrophobicContact CB-CB 4.19Å; Q337-I357 HydrophobicContact CB-CG2 4.15Å; Q337-I357 HydrophobicContact CG-CB 4.45Å; Q337-I357 HydrophobicContact CG-CG2 4.03Å; V340-I357 HydrophobicContact CB-CD1 4.44Å; V340-I357 HydrophobicContact CB-CG1 4.26Å; V340-I357 HydrophobicContact CG1-CD1 3.76Å; V340-I357 HydrophobicContact CG1-CG1 4.11Å; V340-I357 HydrophobicContact CG1-CG2 4.44Å; F352-I357 HydrophobicContact CB-CD1 3.84Å; F352-I357 HydrophobicContact CB-CG1 4.38Å; F352-I357 HydrophobicContact CG-CD1 4.5Å; S353-I357 PolarHBondContact O-N 3.37Å; S353-I357 VanDerWaalsContact O-N 3.12Å; Q354-I357 PolarHBondContact O-N 3.07Å; I357-R359 VanDerWaalsContact C-N 3.3Å; I357-R359 PolarHBondContact O-N 3.1Å; I357-F360 WeakPolarHBondContact O-CB 3.49Å; I357-F360 PolarHBondContact O-N 3.27Å; I357-F360 VanDerWaalsContact O-N 3.14Å; I357-E361 HydrophobicContact CG2-CG 4.47Å; I357-E361 WeakPolarHBondContact CG2-OE1 3.38Å; I357-E361 WeakPolarHBondContact O-CG 3.32Å; I357-E361 PolarHBondContact O-N 3.27Å; I357-L377 HydrophobicContact CD1-CD2 3.83Å
358S96.8Very high91.8Very high42 Ų4261.4 Ų61.429%0.29434%0.335SS..Hα-helixtrans-64-30.6177.3-170.10000114Q337 Q354 A362Q337-S358 PolarHBondContact NE2-OG 3.21Å; Q354-S358 VanDerWaalsContact O-CB 3.31Å; Q354-S358 WeakPolarHBondContact O-CB 3.45Å; Q354-S358 PolarHBondContact O-N 3.12Å; S358-A362 WeakPolarHBondContact O-CB 3.36Å; S358-A362 PolarHBondContact O-N 3.44Å
359R96.4Very high92.4Very high120 Ų12061 Ų6145%0.45334%0.337SS..Hα-helixtrans-76.5-35174-76.6173.8173.6-78.4-7.4111.4T355 T356 I357 A362 L363 N364 L365T355-R359 VanDerWaalsContact O-CB 3.28Å; T355-R359 WeakPolarHBondContact O-CB 3.39Å; T355-R359 WeakPolarHBondContact O-CD 3.49Å; T355-R359 WeakPolarHBondContact O-CG 3.42Å; T355-R359 PolarHBondContact O-N 3.19Å; T355-R359 VanDerWaalsContact O-N 3.13Å; T356-R359 PolarHBondContact O-N 3.37Å; I357-R359 VanDerWaalsContact C-N 3.3Å; I357-R359 PolarHBondContact O-N 3.1Å; R359-A362 CarbonylContact O-C 3.44Å; R359-A362 PolarHBondContact O-N 3.09Å; R359-L363 PolarHBondContact O-N 3.36Å; R359-N364 HydrophobicContact CB-CB 4.21Å; R359-N364 HydrophobicContact CG-CB 4.3Å; R359-N364 PolarHBondContact NH1-O 3.02Å; R359-N364 WeakPolarHBondContact O-CA 3.45Å; R359-N364 PolarHBondContact O-N 3.44Å; R359-L365 HydrophobicContact CB-CD1 4.23Å; R359-L365 HydrophobicContact CB-CD2 3.6Å; R359-L365 HydrophobicContact CB-CG 3.72Å; R359-L365 HydrophobicContact CG-CD2 4.36Å
360F96.8Very high93Very high0 Ų058.5 Ų58.50%031%0.311CS..Hα-helixtrans-62.5-51.6172.7-174-85.5000111.2L319 F322 A323 T356 I357 A362 L363 L365 M370 L373 K374 L377L319-F360 HydrophobicContact CD1-CE2 4.29Å; L319-F360 HydrophobicContact CD1-CZ 4.13Å; F322-F360 AromaticContact CD1-CE1 3.65Å; F322-F360 HydrophobicContact CD1-CE1 3.65Å; F322-F360 AromaticContact CD1-CZ 3.57Å; F322-F360 HydrophobicContact CD1-CZ 3.57Å; F322-F360 AromaticContact CE1-CE1 3.53Å; F322-F360 HydrophobicContact CE1-CE1 3.53Å; F322-F360 AromaticContact CE1-CZ 3.54Å; F322-F360 HydrophobicContact CE1-CZ 3.54Å; A323-F360 HydrophobicContact CB-CD1 4.45Å; A323-F360 HydrophobicContact CB-CE1 4.11Å; T356-F360 PolarHBondContact O-N 3.12Å; I357-F360 WeakPolarHBondContact O-CB 3.49Å; I357-F360 PolarHBondContact O-N 3.27Å; I357-F360 VanDerWaalsContact O-N 3.14Å; F360-A362 PolarHBondContact O-N 2.99Å; F360-L363 PolarHBondContact O-N 3.45Å; F360-L365 HydrophobicContact CB-CD1 4.07Å; F360-L365 HydrophobicContact CD2-CD1 4.46Å; F360-M370 HydrophobicContact CB-SD 4.38Å; F360-M370 HydrophobicContact CD1-CE 4.27Å; F360-M370 HydrophobicContact CD2-CE 3.49Å; F360-M370 VanDerWaalsContact CD2-CE 3.49Å; F360-M370 HydrophobicContact CD2-SD 3.48Å; F360-M370 WeakPolarHBondContact CD2-SD 3.05Å; F360-M370 HydrophobicContact CE1-CE 4.24Å; F360-M370 HydrophobicContact CE2-CB 4.38Å; F360-M370 HydrophobicContact CE2-CE 3.48Å; F360-M370 VanDerWaalsContact CE2-CE 3.48Å; F360-M370 HydrophobicContact CE2-SD 3.92Å; F360-M370 HydrophobicContact CG-CE 3.9Å; F360-M370 HydrophobicContact CG-SD 4.09Å; F360-M370 HydrophobicContact CZ-CE 3.86Å; F360-M370 WeakPolarHBondContact O-CE 3.45Å; F360-L373 HydrophobicContact CD2-CB 3.62Å; F360-L373 HydrophobicContact CD2-CD1 3.93Å; F360-L373 HydrophobicContact CD2-CG 4.44Å; F360-L373 HydrophobicContact CE2-CB 3.67Å; F360-K374 HydrophobicContact CZ-CB 4.5Å; F360-L377 HydrophobicContact CB-CD1 4.2Å; F360-L377 HydrophobicContact CD1-CD1 3.34Å; F360-L377 HydrophobicContact CD2-CD1 3.71Å; F360-L377 HydrophobicContact CE1-CD1 3.52Å; F360-L377 HydrophobicContact CE2-CD1 3.86Å; F360-L377 HydrophobicContact CG-CD1 3.45Å; F360-L377 VanDerWaalsContact CG-CD1 3.45Å; F360-L377 HydrophobicContact CZ-CD1 3.78Å
361E96.5Very high93.4Very high16 Ų1656.9 Ų56.98%0.07531%0.306CS..THydrogen-bonded Turntrans-61.7-13.6178.1-70.7177.2-169.700114.9F326 K327 R330 Q337 I357F326-E361 HydrophobicContact CD1-CG 4.09Å; F326-E361 HydrophobicContact CE1-CG 4.34Å; K327-E361 HydrophobicContact CB-CB 4.49Å; K327-E361 HydrophobicContact CB-CG 4.05Å; K327-E361 HydrophobicContact CD-CB 4.31Å; K327-E361 HydrophobicContact CG-CG 4.32Å; R330-E361 WeakPolarHBondContact CD-OE1 3.5Å; R330-E361 IonicContact CZ-OE1 2.71Å; R330-E361 IonicContact NE-OE1 2.9Å; R330-E361 IonicContact NH1-OE1 2.78Å; R330-E361 PolarHBondContact NH1-OE1 3.33Å; R330-E361 IonicContact NH1-OE2 2.75Å; R330-E361 PolarHBondContact NH1-OE2 2.81Å; Q337-E361 PolarHBondContact NE2-OE2 3.06Å; I357-E361 HydrophobicContact CG2-CG 4.47Å; I357-E361 WeakPolarHBondContact CG2-OE1 3.38Å; I357-E361 WeakPolarHBondContact O-CG 3.32Å; I357-E361 PolarHBondContact O-N 3.27Å
362A95.8Very high93.7Very high54 Ų5461.5 Ų61.545%0.44632%0.323SS..THydrogen-bonded Turntrans-115.115.3178.200000112.9S358 R359 F360 N364S358-A362 WeakPolarHBondContact O-CB 3.36Å; S358-A362 PolarHBondContact O-N 3.44Å; R359-A362 CarbonylContact O-C 3.44Å; R359-A362 PolarHBondContact O-N 3.09Å; F360-A362 PolarHBondContact O-N 2.99Å; A362-N364 HydrophobicContact CB-CB 4.22Å; A362-N364 PolarHBondContact O-N 3.06Å; A362-N364 PolarHBondContact O-ND2 2.77Å
363L93.3Very high93.8Very high62 Ų6260.5 Ų60.533%0.32532%0.319SS..THydrogen-bonded Turntrans51.128.4-178.1-52.6-179.4000113.5E320 A323 R359 F360 L365 M370E320-L363 HydrophobicContact CB-CD1 3.84Å; E320-L363 HydrophobicContact CG-CD1 3.89Å; A323-L363 HydrophobicContact CB-CD2 3.6Å; R359-L363 PolarHBondContact O-N 3.36Å; F360-L363 PolarHBondContact O-N 3.45Å; L363-L365 VanDerWaalsContact C-N 3.35Å; L363-L365 PolarHBondContact O-N 2.91Å; L363-M370 HydrophobicContact CD2-CE 3.53Å
364N94.4Very high94Very high101 Ų10159.5 Ų59.554%0.5431%0.309SS..  trans-101.234.3-167.3-109.6-110.6000112.2R359 A362R359-N364 HydrophobicContact CB-CB 4.21Å; R359-N364 HydrophobicContact CG-CB 4.3Å; R359-N364 PolarHBondContact NH1-O 3.02Å; R359-N364 WeakPolarHBondContact O-CA 3.45Å; R359-N364 PolarHBondContact O-N 3.44Å; A362-N364 HydrophobicContact CB-CB 4.22Å; A362-N364 PolarHBondContact O-N 3.06Å; A362-N364 PolarHBondContact O-ND2 2.77Å
365L92.9Very high94Very high41 Ų4158.6 Ų58.622%0.21531%0.311CS..SBendtrans-133.3155.9174.4-57.1170000107.8R359 F360 L363 N369 M370 L373R359-L365 HydrophobicContact CB-CD1 4.23Å; R359-L365 HydrophobicContact CB-CD2 3.6Å; R359-L365 HydrophobicContact CB-CG 3.72Å; R359-L365 HydrophobicContact CG-CD2 4.36Å; F360-L365 HydrophobicContact CB-CD1 4.07Å; F360-L365 HydrophobicContact CD2-CD1 4.46Å; L363-L365 VanDerWaalsContact C-N 3.35Å; L363-L365 PolarHBondContact O-N 2.91Å; L365-N369 HydrophobicContact CB-CB 4.36Å; L365-M370 HydrophobicContact CB-CG 3.97Å; L365-M370 HydrophobicContact CB-SD 3.75Å; L365-M370 HydrophobicContact CD1-SD 3.88Å; L365-M370 HydrophobicContact CG-SD 4.15Å; L365-L373 HydrophobicContact CD1-CD1 3.6Å
366S92.3Very high94Very high83 Ų8357.7 Ų57.758%0.5830%0.303SS*.  trans-62.1144.6172.758.10000111K368 N369 M370S366-K368 VanDerWaalsContact C-N 3.34Å; S366-K368 PolarHBondContact O-N 2.86Å; S366-N369 WeakPolarHBondContact O-CA 3.34Å; S366-N369 VanDerWaalsContact O-CB 3.28Å; S366-N369 WeakPolarHBondContact O-CB 3.36Å; S366-N369 PolarHBondContact O-N 3.41Å; S366-N369 WeakPolarHBondContact OG-CB 3.11Å; S366-M370 PolarHBondContact O-N 3.09Å
367F90.7Very high93.9Very high83 Ų8356.1 Ų56.136%0.36429%0.294SS..Hα-helixtrans-43.5-52.7177.2-175.2-111.4000113.5D315 L316 L319 N369 M370 C371D315-F367 HydrophobicContact CB-CE2 4.44Å; D315-F367 HydrophobicContact CB-CZ 4.05Å; D315-F367 WeakPolarHBondContact OD2-CZ 3.24Å; L316-F367 HydrophobicContact CB-CE2 4.31Å; L316-F367 HydrophobicContact CD1-CD2 4.09Å; L316-F367 HydrophobicContact CD1-CE2 4.37Å; L319-F367 HydrophobicContact CD2-CD2 4Å; L319-F367 HydrophobicContact CD2-CE2 4.23Å; F367-N369 PolarHBondContact O-N 3.38Å; F367-M370 WeakPolarHBondContact O-CA 3.25Å; F367-M370 WeakPolarHBondContact O-CB 3.38Å; F367-M370 PolarHBondContact O-N 3.4Å; F367-C371 PolarHBondContact O-N 2.94Å; F367-C371 PolarHBondContact O-SG 2.85Å
368K91.3Very high93.9Very high169 Ų16960.3 Ų60.374%0.73531%0.313SS*.Hα-helixtrans-60.8-12.2175.7-172.2164.5-175.1165.20115.9S366 K372S366-K368 VanDerWaalsContact C-N 3.34Å; S366-K368 PolarHBondContact O-N 2.86Å; K368-K372 WeakPolarHBondContact O-CG 3.25Å
369N92.9Very high93.7Very high65 Ų6564 Ų6435%0.34832%0.324SS..Hα-helixtrans-96.3-38.9170.7-166.3-101.5000111L365 S366 F367 K372 L373L365-N369 HydrophobicContact CB-CB 4.36Å; S366-N369 WeakPolarHBondContact O-CA 3.34Å; S366-N369 VanDerWaalsContact O-CB 3.28Å; S366-N369 WeakPolarHBondContact O-CB 3.36Å; S366-N369 PolarHBondContact O-N 3.41Å; S366-N369 WeakPolarHBondContact OG-CB 3.11Å; F367-N369 PolarHBondContact O-N 3.38Å; N369-K372 WeakPolarHBondContact O-CB 3.28Å; N369-K372 PolarHBondContact O-N 2.93Å; N369-L373 PolarHBondContact O-N 3.29Å
370M92.7Very high93.6Very high3 Ų358.9 Ų58.92%0.01531%0.305CS..Hα-helixtrans-58.1-52.7172.1-66.2-68.6-64.100112.1L319 F360 L363 L365 S366 F367 K372 L373 K374L319-M370 HydrophobicContact CD1-CB 3.88Å; L319-M370 HydrophobicContact CD1-CE 3.94Å; L319-M370 HydrophobicContact CD2-CB 3.38Å; L319-M370 HydrophobicContact CD2-CE 4.04Å; L319-M370 HydrophobicContact CD2-CG 3.95Å; L319-M370 HydrophobicContact CG-CB 4.13Å; L319-M370 HydrophobicContact CG-CE 3.92Å; F360-M370 HydrophobicContact CB-SD 4.38Å; F360-M370 HydrophobicContact CD1-CE 4.27Å; F360-M370 HydrophobicContact CD2-CE 3.49Å; F360-M370 VanDerWaalsContact CD2-CE 3.49Å; F360-M370 HydrophobicContact CD2-SD 3.48Å; F360-M370 WeakPolarHBondContact CD2-SD 3.05Å; F360-M370 HydrophobicContact CE1-CE 4.24Å; F360-M370 HydrophobicContact CE2-CB 4.38Å; F360-M370 HydrophobicContact CE2-CE 3.48Å; F360-M370 VanDerWaalsContact CE2-CE 3.48Å; F360-M370 HydrophobicContact CE2-SD 3.92Å; F360-M370 HydrophobicContact CG-CE 3.9Å; F360-M370 HydrophobicContact CG-SD 4.09Å; F360-M370 HydrophobicContact CZ-CE 3.86Å; F360-M370 WeakPolarHBondContact O-CE 3.45Å; L363-M370 HydrophobicContact CD2-CE 3.53Å; L365-M370 HydrophobicContact CB-CG 3.97Å; L365-M370 HydrophobicContact CB-SD 3.75Å; L365-M370 HydrophobicContact CD1-SD 3.88Å; L365-M370 HydrophobicContact CG-SD 4.15Å; S366-M370 PolarHBondContact O-N 3.09Å; F367-M370 WeakPolarHBondContact O-CA 3.25Å; F367-M370 WeakPolarHBondContact O-CB 3.38Å; F367-M370 PolarHBondContact O-N 3.4Å; M370-K372 PolarHBondContact O-N 2.91Å; M370-L373 PolarHBondContact O-N 3.04Å; M370-K374 PolarHBondContact O-N 2.79Å
371C92.4Very high93.5Very high40 Ų4059 Ų5927%0.2731%0.306SS..Hα-helixtrans-64.4-16.8179.6-450000113D315 F367 P375D315-C371 PolarHBondContact OD2-SG 3.39Å; F367-C371 PolarHBondContact O-N 2.94Å; F367-C371 PolarHBondContact O-SG 2.85Å; C371-P375 VanDerWaalsContact O-CD 3.28Å; C371-P375 WeakPolarHBondContact O-CD 3.31Å
372K92.3Very high93.4Very high142 Ų14260.9 Ų60.962%0.61732%0.32SS*.Hα-helixtrans-83.1-24.2170.5-75-172.7173.2-154.50113.9K368 N369 M370K368-K372 WeakPolarHBondContact O-CG 3.25Å; N369-K372 WeakPolarHBondContact O-CB 3.28Å; N369-K372 PolarHBondContact O-N 2.93Å; M370-K372 PolarHBondContact O-N 2.91Å
373L93.4Very high93.2Very high11 Ų1161.1 Ų61.16%0.05831%0.314CS..Hα-helixtrans-91.3-36.5177.9-69174.7000111.5F352 T356 F360 L365 N369 M370 L376 L377F352-L373 HydrophobicContact CD1-CD2 4.31Å; F352-L373 HydrophobicContact CE1-CD2 3.65Å; F352-L373 HydrophobicContact CE2-CD2 4.03Å; F352-L373 HydrophobicContact CZ-CD2 3.49Å; F352-L373 VanDerWaalsContact CZ-CD2 3.49Å; T356-L373 HydrophobicContact CG2-CD1 3.99Å; F360-L373 HydrophobicContact CD2-CB 3.62Å; F360-L373 HydrophobicContact CD2-CD1 3.93Å; F360-L373 HydrophobicContact CD2-CG 4.44Å; F360-L373 HydrophobicContact CE2-CB 3.67Å; L365-L373 HydrophobicContact CD1-CD1 3.6Å; N369-L373 PolarHBondContact O-N 3.29Å; M370-L373 PolarHBondContact O-N 3.04Å; L373-L376 PolarHBondContact O-N 3Å; L373-L377 HydrophobicContact CB-CD1 4.13Å; L373-L377 HydrophobicContact CB-CG 4.36Å; L373-L377 WeakPolarHBondContact O-CB 3.18Å; L373-L377 WeakPolarHBondContact O-CG 3.4Å; L373-L377 PolarHBondContact O-N 3.13Å
374K94.3Very high93.1Very high24 Ų2458.8 Ų58.810%0.10430%0.303CS..Hα-helixtrans-36.4-62.5175.6-177.1-177.6-179.2-1710112.5D315 E318 L319 F322 F360 M370 L376 L377 E378D315-K374 IonicContact OD1-NZ 2.68Å; D315-K374 PolarHBondContact OD1-NZ 3.31Å; E318-K374 WeakPolarHBondContact OE1-CE 3.47Å; E318-K374 IonicContact OE1-NZ 3.06Å; E318-K374 PolarHBondContact OE1-NZ 3.1Å; E318-K374 IonicContact OE2-NZ 2.71Å; E318-K374 PolarHBondContact OE2-NZ 2.77Å; L319-K374 HydrophobicContact CD1-CB 4.14Å; L319-K374 HydrophobicContact CD1-CD 4.06Å; L319-K374 HydrophobicContact CD1-CG 4.35Å; F322-K374 HydrophobicContact CD1-CG 4.2Å; F322-K374 HydrophobicContact CE1-CG 4.49Å; F322-K374 HydrophobicContact CG-CG 4.31Å; F360-K374 HydrophobicContact CZ-CB 4.5Å; M370-K374 PolarHBondContact O-N 2.79Å; K374-L376 PolarHBondContact O-N 3.06Å; K374-L377 PolarHBondContact O-N 3.33Å; K374-E378 WeakPolarHBondContact O-CB 3.29Å; K374-E378 PolarHBondContact O-N 3.07Å
375P93.8Very high92.9Very high69 Ų6956.2 Ų56.245%0.44829%0.288SS..Hα-helixtrans-68.9-25.8-177.228-37.2000115.1C371 K379C371-P375 VanDerWaalsContact O-CD 3.28Å; C371-P375 WeakPolarHBondContact O-CD 3.31Å; P375-K379 WeakPolarHBondContact O-CB 3.26Å; P375-K379 PolarHBondContact O-N 2.71Å
376L93.6Very high92.8Very high52 Ų5258.8 Ų58.827%0.27231%0.306SS..Hα-helixtrans-76-43.3176.8-60.8176.6000110.9Y348 F352 L373 K374 W380Y348-L376 HydrophobicContact CD1-CD2 3.89Å; Y348-L376 HydrophobicContact CE1-CD2 3.87Å; Y348-L376 HydrophobicContact CG-CD2 4.3Å; Y348-L376 PolarHBondContact OH-O 3.49Å; F352-L376 HydrophobicContact CE2-CD1 4.13Å; F352-L376 HydrophobicContact CZ-CD1 3.98Å; L373-L376 PolarHBondContact O-N 3Å; K374-L376 PolarHBondContact O-N 3.06Å; L376-W380 PolarHBondContact O-N 3.42Å
377L94.6Very high92.4Very high0 Ų061.6 Ų61.60%031%0.311CS..Hα-helixtrans-68.2-38.7176.9-64.4-174.4000111.4F322 F326 V340 M344 I357 F360 L373 K374 L381F322-L377 HydrophobicContact CE1-CB 4.09Å; F322-L377 HydrophobicContact CZ-CB 4.06Å; F326-L377 HydrophobicContact CD2-CB 3.92Å; F326-L377 HydrophobicContact CE2-CB 3.67Å; F326-L377 HydrophobicContact CE2-CD2 4.26Å; F326-L377 HydrophobicContact CE2-CG 4.36Å; F326-L377 HydrophobicContact CZ-CB 4.31Å; F326-L377 HydrophobicContact CZ-CD1 4.48Å; F326-L377 HydrophobicContact CZ-CD2 4.11Å; V340-L377 HydrophobicContact CG1-CD2 4.42Å; M344-L377 HydrophobicContact CE-CD2 3.53Å; M344-L377 HydrophobicContact SD-CD2 4.07Å; I357-L377 HydrophobicContact CD1-CD2 3.83Å; F360-L377 HydrophobicContact CB-CD1 4.2Å; F360-L377 HydrophobicContact CD1-CD1 3.34Å; F360-L377 HydrophobicContact CD2-CD1 3.71Å; F360-L377 HydrophobicContact CE1-CD1 3.52Å; F360-L377 HydrophobicContact CE2-CD1 3.86Å; F360-L377 HydrophobicContact CG-CD1 3.45Å; F360-L377 VanDerWaalsContact CG-CD1 3.45Å; F360-L377 HydrophobicContact CZ-CD1 3.78Å; L373-L377 HydrophobicContact CB-CD1 4.13Å; L373-L377 HydrophobicContact CB-CG 4.36Å; L373-L377 WeakPolarHBondContact O-CB 3.18Å; L373-L377 WeakPolarHBondContact O-CG 3.4Å; L373-L377 PolarHBondContact O-N 3.13Å; K374-L377 PolarHBondContact O-N 3.33Å; L377-L381 VanDerWaalsContact O-CB 3.29Å; L377-L381 WeakPolarHBondContact O-CB 3.1Å; L377-L381 PolarHBondContact O-N 3.26Å
378E94.6Very high92.1Very high89 Ų8959.3 Ų59.342%0.41631%0.308SS..Hα-helixtrans-66-49.3179.1-178.9170.2-149.100112.7F322 K374 L381 S382F322-E378 HydrophobicContact CE2-CB 3.57Å; F322-E378 HydrophobicContact CE2-CG 3.93Å; F322-E378 HydrophobicContact CZ-CB 3.72Å; K374-E378 WeakPolarHBondContact O-CB 3.29Å; K374-E378 PolarHBondContact O-N 3.07Å; E378-L381 WeakPolarHBondContact O-CB 3.4Å; E378-L381 PolarHBondContact O-N 3.39Å; E378-S382 PolarHBondContact O-N 2.87Å; E378-S382 PolarHBondContact O-OG 3.41Å; E378-S382 VanDerWaalsContact O-OG 3.05Å
379K93.7Very high91.5Very high121 Ų12155.9 Ų55.953%0.52630%0.301SS..Hα-helixtrans-61.3-49.2178.3172.7169.3176.6173.70111.3Y348 P375 L381 S382 D383Y348-K379 WeakPolarHBondContact OH-CB 3.31Å; Y348-K379 WeakPolarHBondContact OH-CG 3.39Å; P375-K379 WeakPolarHBondContact O-CB 3.26Å; P375-K379 PolarHBondContact O-N 2.71Å; K379-L381 VanDerWaalsContact C-N 3.25Å; K379-L381 PolarHBondContact O-N 3.24Å; K379-S382 WeakPolarHBondContact O-CB 3.43Å; K379-S382 PolarHBondContact O-N 2.99Å; K379-S382 VanDerWaalsContact O-N 3.15Å; K379-D383 VanDerWaalsContact O-CG 3.24Å; K379-D383 PolarHBondContact O-N 3.43Å
380W93.9Very high90.2Very high11 Ų1158.6 Ų58.64%0.04232%0.315CS..Hα-helixtrans-59.1-37.4176169.378.8000112.7F326 R330 F335 V340 M344 L376 S382 D383 A384F326-W380 AromaticContact CE2-CE3 3.82Å; F326-W380 HydrophobicContact CE2-CE3 3.82Å; F326-W380 AromaticContact CE2-CZ3 3.8Å; F326-W380 HydrophobicContact CE2-CZ3 3.8Å; F326-W380 HydrophobicContact CZ-CE3 4.18Å; F326-W380 AromaticContact CZ-CZ3 3.89Å; F326-W380 HydrophobicContact CZ-CZ3 3.89Å; R330-W380 HydrophobicContact CG-CH2 4.16Å; R330-W380 HydrophobicContact CG-CZ3 4.3Å; F335-W380 HydrophobicContact CB-CH2 4.26Å; F335-W380 HydrophobicContact CD1-CZ2 4.48Å; F335-W380 AromaticContact CD2-CH2 3.77Å; F335-W380 HydrophobicContact CD2-CH2 3.77Å; F335-W380 AromaticContact CD2-CZ2 3.82Å; F335-W380 HydrophobicContact CD2-CZ2 3.82Å; F335-W380 HydrophobicContact CE2-CH2 4.38Å; F335-W380 HydrophobicContact CE2-CZ2 4.08Å; F335-W380 HydrophobicContact CG-CH2 4.09Å; F335-W380 HydrophobicContact CG-CZ2 4.05Å; V340-W380 HydrophobicContact CB-CH2 4.4Å; V340-W380 HydrophobicContact CG1-CD2 4.45Å; V340-W380 HydrophobicContact CG1-CE3 4.18Å; V340-W380 HydrophobicContact CG1-CH2 4.4Å; V340-W380 HydrophobicContact CG1-CZ3 4.16Å; V340-W380 HydrophobicContact CG2-CH2 3.52Å; V340-W380 HydrophobicContact CG2-CZ2 4.03Å; V340-W380 HydrophobicContact CG2-CZ3 3.86Å; M344-W380 HydrophobicContact CE-CB 3.21Å; M344-W380 HydrophobicContact CE-CD2 3.79Å; M344-W380 HydrophobicContact CE-CE3 4.06Å; M344-W380 HydrophobicContact CE-CG 3.43Å; M344-W380 VanDerWaalsContact CE-CG 3.43Å; M344-W380 HydrophobicContact SD-CB 4.46Å; L376-W380 PolarHBondContact O-N 3.42Å; W380-S382 VanDerWaalsContact C-N 3.31Å; W380-S382 PolarHBondContact O-N 2.7Å; W380-D383 PolarHBondContact O-N 2.77Å; W380-A384 HydrophobicContact CH2-CB 4.5Å; W380-A384 HydrophobicContact CZ2-CB 4.13Å; W380-A384 WeakPolarHBondContact O-CB 3.41Å; W380-A384 PolarHBondContact O-N 3.29Å
381L94.8Very high88.9Confident4 Ų462.9 Ų62.92%0.02135%0.346CS..Hα-helixtrans-64-41.6178.7-165.971.6000110.5F326 R329 L333 L377 E378 K379 A384 E385F326-L381 HydrophobicContact CB-CD2 4.45Å; F326-L381 HydrophobicContact CD2-CB 4.34Å; F326-L381 HydrophobicContact CD2-CD1 4.11Å; F326-L381 HydrophobicContact CD2-CD2 3.97Å; F326-L381 HydrophobicContact CD2-CG 4.4Å; F326-L381 HydrophobicContact CE2-CB 4.44Å; F326-L381 HydrophobicContact CE2-CD1 4.2Å; R329-L381 HydrophobicContact CB-CD1 3.88Å; R329-L381 HydrophobicContact CB-CD2 4.02Å; R329-L381 HydrophobicContact CB-CG 4.24Å; R329-L381 VanDerWaalsContact CD-CD2 3.48Å; R329-L381 HydrophobicContact CG-CD2 4.41Å; L333-L381 HydrophobicContact CD1-CD1 4.33Å; L377-L381 VanDerWaalsContact O-CB 3.29Å; L377-L381 WeakPolarHBondContact O-CB 3.1Å; L377-L381 PolarHBondContact O-N 3.26Å; E378-L381 WeakPolarHBondContact O-CB 3.4Å; E378-L381 PolarHBondContact O-N 3.39Å; K379-L381 VanDerWaalsContact C-N 3.25Å; K379-L381 PolarHBondContact O-N 3.24Å; L381-A384 PolarHBondContact O-N 3.19Å; L381-E385 WeakPolarHBondContact O-CB 3.43Å; L381-E385 VanDerWaalsContact O-CG 3.31Å; L381-E385 WeakPolarHBondContact O-CG 3.45Å; L381-E385 PolarHBondContact O-N 2.81Å
382S93.6Very high87.2Confident55 Ų5568.3 Ų68.339%0.38537%0.369SS..Hα-helixtrans-65.4-43.6174.7-53.40000112.1E378 K379 W380 A384 E385 T386E378-S382 PolarHBondContact O-N 2.87Å; E378-S382 PolarHBondContact O-OG 3.41Å; E378-S382 VanDerWaalsContact O-OG 3.05Å; K379-S382 WeakPolarHBondContact O-CB 3.43Å; K379-S382 PolarHBondContact O-N 2.99Å; K379-S382 VanDerWaalsContact O-N 3.15Å; W380-S382 VanDerWaalsContact C-N 3.31Å; W380-S382 PolarHBondContact O-N 2.7Å; S382-A384 VanDerWaalsContact C-N 3.32Å; S382-A384 PolarHBondContact O-N 3.3Å; S382-E385 PolarHBondContact O-N 3.29Å; S382-T386 WeakPolarHBondContact O-CB 3.36Å; S382-T386 PolarHBondContact O-N 3.15Å; S382-T386 PolarHBondContact O-OG1 3.5Å
383D91.9Very high85.2Confident59 Ų5967.2 Ų67.232%0.31637%0.369SS..Hα-helixtrans-59.8-42.9175.2-63.7-24.8000110.6K379 W380 M387K379-D383 VanDerWaalsContact O-CG 3.24Å; K379-D383 PolarHBondContact O-N 3.43Å; W380-D383 PolarHBondContact O-N 2.77Å; D383-M387 PolarHBondContact O-N 2.61Å; D383-M387 VanDerWaalsContact O-N 3.16Å
384A91.4Very high83.1Confident12 Ų1272.5 Ų72.510%0.09940%0.404CS..Hα-helixtrans-73.8-38.6-179.800000113.6L333 F335 W380 L381 S382 T386 A388L333-A384 HydrophobicContact CD1-CB 4.14Å; F335-A384 HydrophobicContact CE2-CB 4.07Å; W380-A384 HydrophobicContact CH2-CB 4.5Å; W380-A384 HydrophobicContact CZ2-CB 4.13Å; W380-A384 WeakPolarHBondContact O-CB 3.41Å; W380-A384 PolarHBondContact O-N 3.29Å; L381-A384 PolarHBondContact O-N 3.19Å; S382-A384 VanDerWaalsContact C-N 3.32Å; S382-A384 PolarHBondContact O-N 3.3Å; A384-T386 VanDerWaalsContact C-N 3.32Å; A384-A388 WeakPolarHBondContact O-CB 3.28Å; A384-A388 PolarHBondContact O-N 2.82Å
385E90.8Very high80.4Confident48 Ų4876.4 Ų76.422%0.22443%0.434CS..Hα-helixtrans-64.7-38172.5-74.7-176126.600111R329 L333 L381 S382 A388 V389R329-E385 WeakPolarHBondContact CD-OE1 3.46Å; R329-E385 VanDerWaalsContact CG-OE1 3.3Å; R329-E385 WeakPolarHBondContact CG-OE1 3.42Å; R329-E385 IonicContact CZ-OE1 3.98Å; R329-E385 IonicContact CZ-OE2 3.61Å; R329-E385 IonicContact NE-OE1 3.62Å; R329-E385 IonicContact NE-OE2 3.89Å; R329-E385 IonicContact NH1-OE1 3.73Å; R329-E385 IonicContact NH1-OE2 2.68Å; R329-E385 PolarHBondContact NH1-OE2 3.4Å; L333-E385 HydrophobicContact CD1-CG 3.86Å; L333-E385 HydrophobicContact CD2-CG 4.35Å; L333-E385 HydrophobicContact CG-CG 4.49Å; L381-E385 WeakPolarHBondContact O-CB 3.43Å; L381-E385 VanDerWaalsContact O-CG 3.31Å; L381-E385 WeakPolarHBondContact O-CG 3.45Å; L381-E385 PolarHBondContact O-N 2.81Å; S382-E385 PolarHBondContact O-N 3.29Å; E385-A388 PolarHBondContact O-N 3.12Å; E385-V389 WeakPolarHBondContact O-CG2 3.46Å; E385-V389 PolarHBondContact O-N 2.66Å
386T90.1Very high78.4Confident94 Ų9479.1 Ų79.158%0.57745%0.452SS*.Hα-helixtrans-62-50.2175.8-55.50000111.5S382 A384 A388 V389 D390S382-T386 WeakPolarHBondContact O-CB 3.36Å; S382-T386 PolarHBondContact O-N 3.15Å; S382-T386 PolarHBondContact O-OG1 3.5Å; A384-T386 VanDerWaalsContact C-N 3.32Å; T386-A388 VanDerWaalsContact C-N 3.29Å; T386-A388 PolarHBondContact O-N 3.38Å; T386-V389 PolarHBondContact O-N 2.85Å; T386-D390 PolarHBondContact O-N 2.76Å
387M83.8Confident76Confident142 Ų14281.7 Ų81.770%0.748%0.475SS*.Hα-helixtrans-63.7-32.5177.9-71.8-173.6169.500113.1D383 S391D383-M387 PolarHBondContact O-N 2.61Å; D383-M387 VanDerWaalsContact O-N 3.16Å; M387-S391 WeakPolarHBondContact O-CB 3.35Å; M387-S391 PolarHBondContact O-N 2.9Å; M387-S391 PolarHBondContact O-OG 3.14Å
388A83.8Confident73.3Confident35 Ų3587.1 Ų87.129%0.28951%0.512SS..Hα-helixtrans-73.4-33.2176.400000113.2L333 A384 E385 T386 M392L333-A388 HydrophobicContact CD2-CB 3.41Å; L333-A388 VanDerWaalsContact CD2-CB 3.41Å; A384-A388 WeakPolarHBondContact O-CB 3.28Å; A384-A388 PolarHBondContact O-N 2.82Å; E385-A388 PolarHBondContact O-N 3.12Å; T386-A388 VanDerWaalsContact C-N 3.29Å; T386-A388 PolarHBondContact O-N 3.38Å; A388-M392 WeakPolarHBondContact O-CG 3.45Å
389V78.1Confident71.1Confident97 Ų9791.2 Ų91.259%0.58854%0.535SS*.Hα-helixtrans-72.9-41.5175.71700000111.5E385 T386 S391 M392E385-V389 WeakPolarHBondContact O-CG2 3.46Å; E385-V389 PolarHBondContact O-N 2.66Å; T386-V389 PolarHBondContact O-N 2.85Å; V389-S391 VanDerWaalsContact C-N 3.25Å; V389-S391 PolarHBondContact O-N 2.71Å; V389-M392 PolarHBondContact O-N 2.92Å
390D66.5Low68.3Low122 Ų12290.2 Ų90.265%0.65254%0.544SS*.Hα-helixtrans-58.9-39.7174.6-16544.6000111.2T386 M392 L393T386-D390 PolarHBondContact O-N 2.76Å; D390-M392 PolarHBondContact O-N 2.98Å; D390-M392 VanDerWaalsContact O-N 3.1Å; D390-L393 PolarHBondContact O-N 2.78Å
391S64.6Low65.7Low94 Ų9495.1 Ų95.166%0.65758%0.579SS**THydrogen-bonded Turntrans-67.4-4174-56.90000115.3M387 V389M387-S391 WeakPolarHBondContact O-CB 3.35Å; M387-S391 PolarHBondContact O-N 2.9Å; M387-S391 PolarHBondContact O-OG 3.14Å; V389-S391 VanDerWaalsContact C-N 3.25Å; V389-S391 PolarHBondContact O-N 2.71Å
392M58.3Low63.4Low153 Ų15399.3 Ų99.375%0.75461%0.607SS**THydrogen-bonded Turntrans-110.80.6-178.4-67.2-83.692.100113.7A388 V389 D390A388-M392 WeakPolarHBondContact O-CG 3.45Å; V389-M392 PolarHBondContact O-N 2.92Å; D390-M392 PolarHBondContact O-N 2.98Å; D390-M392 VanDerWaalsContact O-N 3.1Å
393L49.3Very low61.1Low120 Ų120105.7 Ų105.763%0.62863%0.633SS**SBendtrans-90.3122.6174.8-67.8178000111.3D390 S395D390-L393 PolarHBondContact O-N 2.78Å; L393-S395 PolarHBondContact O-N 3.02Å
394P50Low59Low121 Ų121111 Ų11179%0.78666%0.66SS**  trans-78.388.6-177.531.4-34.8000111.9P396P394-P396 WeakPolarHBondContact O-CD 3.44Å
395S37.6Very low56.4Low106 Ų106113.4 Ų113.474%0.74169%0.686SS**  trans-77.8118.2169.6-730000111.3L393 S397L393-S395 PolarHBondContact O-N 3.02Å; S395-S397 VanDerWaalsContact C-N 3.33Å; S395-S397 PolarHBondContact O-N 3.02Å
396P50.9Low54.1Low126 Ų126119.5 Ų119.582%0.81872%0.719SS**SBendtrans-86.459.6-16935.8-37.6000113.7P394P394-P396 WeakPolarHBondContact O-CD 3.44Å
397S44.2Very low51.9Low107 Ų107124 Ų12475%0.74873%0.733SS**  trans-178.6110158.7-86.30000113S395S395-S397 VanDerWaalsContact C-N 3.33Å; S395-S397 PolarHBondContact O-N 3.02Å
398S36.8Very low49.9Very low113 Ų113120.3 Ų120.379%0.7973%0.731SS**  trans173.698.8142.3-82.30000111.4S400S398-S400 PolarHBondContact O-N 2.68Å; S398-S400 VanDerWaalsContact O-N 3.16Å
399I48.2Very low47.9Very low176 Ų176126.5 Ų126.590%0.90376%0.759SS**  trans-88.559171.3-170167.7000111.1
400S36.7Very low46.6Very low100 Ų100128.1 Ų128.170%0.69977%0.772SS**  trans-176.1142172.6-82.50000107.6S398S398-S400 PolarHBondContact O-N 2.68Å; S398-S400 VanDerWaalsContact O-N 3.16Å
401S37.7Very low45.7Very low113 Ų113125.1 Ų125.179%0.7977%0.769SS**  cis-146.7-167.54.5-132.30000109.7
402P46.7Very low44.9Very low93 Ų93131.3 Ų131.360%0.60478%0.778SS**  trans-97.2167.2-14139.1-40.2000117.2L404P402-L404 PolarHBondContact O-N 2.95Å
403M46.2Very low44.3Very low188 Ų188134.1 Ų134.193%0.92678%0.78SS**  trans-14.696.6151.7-177.8172.9172.100114.8G405M403-G405 PolarHBondContact O-N 3.02Å
404L46.5Very low44.2Very low170 Ų170133.1 Ų133.189%0.8977%0.768SS**  trans-78.791.3-175.2-69.7-177.9000113.2P402P402-L404 PolarHBondContact O-N 2.95Å
405G37Very low44.2Very low63 Ų63134.7 Ų134.765%0.64976%0.762SS**  62.377.6129.300000118M403 E407M403-G405 PolarHBondContact O-N 3.02Å; G405-E407 VanDerWaalsContact C-N 3.26Å; G405-E407 PolarHBondContact O-N 2.97Å; G405-E407 VanDerWaalsContact O-N 3.14Å
406I44.1Very low44.9Very low176 Ų176137.5 Ų137.590%0.90376%0.762SS**SBendtrans-76.983.8148.3-60178000107.7
407E43.3Very low45.6Very low189 Ų189142.9 Ų142.988%0.88377%0.766SS**  trans-162.3153.2164.4-92.5-123.399.800110.9G405G405-E407 VanDerWaalsContact C-N 3.26Å; G405-E407 PolarHBondContact O-N 2.97Å; G405-E407 VanDerWaalsContact O-N 3.14Å
408G41.8Very low47.3Very low64 Ų64140.6 Ų140.666%0.6675%0.747SS**  trans96.614.2145.700000122
409L40.9Very low49.2Very low165 Ų165140.1 Ų140.186%0.86474%0.743SS**  trans-117.993.4169.1-75.9-177.9000114.2G411L409-G411 PolarHBondContact O-N 2.77Å
410P52Low51Low132 Ų132133 Ų13386%0.85771%0.707SS**  trans-80.798.4176.531.9-33.1000112
411G47.6Very low53.5Low58 Ų58134.5 Ų134.560%0.59870%0.703SS**  trans105.5130.7-177.500000110.4L409L409-G411 PolarHBondContact O-N 2.77Å
412R47.1Very low55.9Low224 Ų224133.8 Ų133.885%0.84569%0.694SS**  cis-128.783.338.6-170.5177.8-172.8-12711.4112.1R414R412-R414 PolarHBondContact O-N 2.91Å
413R46.7Very low58Low212 Ų212134.9 Ų134.980%0.870%0.695SS**  trans-48.7125172.8-64162.578.6-156.716.4109.5K415R413-K415 PolarHBondContact O-N 3.26Å
414R45.5Very low60.2Low100 Ų100126.6 Ų126.638%0.37766%0.655SS.*  trans-41.2137.2169.4-149.5-176.1-174.4134.417.8111.1N350 D351 R412 K416N350-R414 PolarHBondContact OD1-NH2 2.7Å; D351-R414 VanDerWaalsContact C-NH1 3.34Å; D351-R414 PolarHBondContact O-NH1 3.21Å; D351-R414 PolarHBondContact O-NH2 3.23Å; D351-R414 VanDerWaalsContact OD2-CB 3.29Å; D351-R414 WeakPolarHBondContact OD2-CB 3.46Å; R412-R414 PolarHBondContact O-N 2.91Å; R414-K416 PolarHBondContact O-N 3.09Å
415K50.1Low62.3Low153 Ų153124 Ų12467%0.66563%0.633SS**  trans-56.3103.9170.6-170.6172.5-179.8-1790106.6R413 R417 E453R413-K415 PolarHBondContact O-N 3.26Å; K415-R417 PolarHBondContact O-N 3.37Å; K415-E453 IonicContact NZ-OE1 3.96Å; K415-E453 PolarHBondContact NZ-OE1 3.21Å; K415-E453 IonicContact NZ-OE2 2.8Å; K415-E453 PolarHBondContact NZ-OE2 3.3Å
416K53.2Low65Low166 Ų166124.6 Ų124.672%0.72262%0.624SS**  trans-53.2132.5179.4-85.1-167.1173.6-170.10106.7R414 T418R414-K416 PolarHBondContact O-N 3.09Å; K416-T418 PolarHBondContact O-N 2.81Å
417R66.4Low67.3Low239 Ų239117.8 Ų117.890%0.90259%0.59SS**  trans-53.3119.1172.5179.8-176.9-176.8-178.52.7107.5K415 S419K415-R417 PolarHBondContact O-N 3.37Å; R417-S419 PolarHBondContact O-N 2.83Å
418T78.6Confident69.7Low59 Ų59108.8 Ų108.836%0.36255%0.548SS..  trans-55.8115-179.2-42.80000108.7K416 I420 M452 V456K416-T418 PolarHBondContact O-N 2.81Å; T418-I420 PolarHBondContact O-N 3.19Å; T418-M452 HydrophobicContact CG2-CE 3.61Å; T418-V456 HydrophobicContact CG2-CG1 4.21Å; T418-V456 HydrophobicContact CG2-CG2 4.15Å
419S77.4Confident72.2Confident102 Ų102108.7 Ų108.771%0.71353%0.531SS*.  trans-75.5116.5175.1-167.50000107.3R417R417-S419 PolarHBondContact O-N 2.83Å
420I84.8Confident74.6Confident26 Ų26108.3 Ų108.313%0.13352%0.518CS..  trans-88.1113.6173.9-61.6170.1000106.2T418 V424 R425 L428 M452 V456 W460T418-I420 PolarHBondContact O-N 3.19Å; I420-V424 HydrophobicContact CG2-CB 4.07Å; I420-V424 HydrophobicContact CG2-CG1 3.79Å; I420-R425 HydrophobicContact CG2-CB 4.34Å; I420-R425 PolarHBondContact O-NH2 3.38Å; I420-L428 HydrophobicContact CG2-CD1 4.07Å; I420-M452 HydrophobicContact CG1-CE 4.31Å; I420-M452 HydrophobicContact CG1-SD 4.11Å; I420-M452 HydrophobicContact CG2-SD 4.39Å; I420-V456 HydrophobicContact CD1-CG1 3.89Å; I420-V456 HydrophobicContact CG1-CG1 4.01Å; I420-W460 HydrophobicContact CD1-CB 4.13Å; I420-W460 HydrophobicContact CD1-CG 4.1Å
421E89.3Confident76.4Confident132 Ų132104.7 Ų104.762%0.61749%0.491SS*.  trans-58.4160.3-178.1-60.3-173.3168.300112.8N423 V424 R425E421-N423 PolarHBondContact O-N 3.05Å; E421-V424 HydrophobicContact CB-CB 4.44Å; E421-V424 HydrophobicContact CB-CG2 4.22Å; E421-V424 PolarHBondContact O-N 3.21Å; E421-R425 VanDerWaalsContact O-CB 3.29Å; E421-R425 WeakPolarHBondContact O-CB 3.35Å; E421-R425 PolarHBondContact O-N 3.12Å
422T89.5Confident78.6Confident99 Ų99102.1 Ų102.161%0.60746%0.464SS*.Hα-helixtrans-62.9-41.6-178.9-560000112R425 V426T422-R425 PolarHBondContact O-N 2.99Å; T422-V426 WeakPolarHBondContact O-CG2 3.44Å; T422-V426 PolarHBondContact O-N 3.5Å
423N89.8Confident80.6Confident116 Ų11696 Ų9662%0.6246%0.455SS*.Hα-helixtrans-61.5-52.6176.2-175.938.3000111.6E421 R425 V426 V427E421-N423 PolarHBondContact O-N 3.05Å; N423-R425 VanDerWaalsContact C-N 3.26Å; N423-R425 PolarHBondContact O-N 3.35Å; N423-V426 PolarHBondContact O-N 3.29Å; N423-V427 PolarHBondContact O-N 2.96Å; N423-V427 VanDerWaalsContact O-N 3.07Å
424V92Very high82.7Confident13 Ų1390.8 Ų90.88%0.07945%0.447CS..Hα-helixtrans-56.9-40.9177.3179.80000111.4I420 E421 V426 V427 L428 L450 M452I420-V424 HydrophobicContact CG2-CB 4.07Å; I420-V424 HydrophobicContact CG2-CG1 3.79Å; E421-V424 HydrophobicContact CB-CB 4.44Å; E421-V424 HydrophobicContact CB-CG2 4.22Å; E421-V424 PolarHBondContact O-N 3.21Å; V424-V426 PolarHBondContact O-N 3.09Å; V424-V427 PolarHBondContact O-N 3.34Å; V424-L428 HydrophobicContact CG1-CD1 3.93Å; V424-L428 HydrophobicContact CG1-CG 4.34Å; V424-L428 WeakPolarHBondContact O-CB 3.34Å; V424-L428 VanDerWaalsContact O-CG 3.29Å; V424-L428 WeakPolarHBondContact O-CG 3.22Å; V424-L428 PolarHBondContact O-N 2.98Å; V424-L450 HydrophobicContact CG1-CB 4.1Å; V424-L450 HydrophobicContact CG1-CD1 4.13Å; V424-L450 HydrophobicContact CG1-CD2 4.3Å; V424-L450 HydrophobicContact CG1-CG 4.41Å; V424-M452 HydrophobicContact CG1-CG 4.12Å; V424-M452 HydrophobicContact CG1-SD 3.75Å
425R92.4Very high84.5Confident117 Ų11789.7 Ų89.744%0.44245%0.448SS..Hα-helixtrans-61.7-41.4175.3-171.6-177.6-54.1134.811.2112.6I420 E421 T422 N423 L428 E429I420-R425 HydrophobicContact CG2-CB 4.34Å; I420-R425 PolarHBondContact O-NH2 3.38Å; E421-R425 VanDerWaalsContact O-CB 3.29Å; E421-R425 WeakPolarHBondContact O-CB 3.35Å; E421-R425 PolarHBondContact O-N 3.12Å; T422-R425 PolarHBondContact O-N 2.99Å; N423-R425 VanDerWaalsContact C-N 3.26Å; N423-R425 PolarHBondContact O-N 3.35Å; R425-L428 PolarHBondContact O-N 3.35Å; R425-E429 VanDerWaalsContact O-CB 3.26Å; R425-E429 WeakPolarHBondContact O-CB 3.49Å; R425-E429 PolarHBondContact O-N 3.47Å
426V92.5Very high86.4Confident74 Ų7486.6 Ų86.645%0.44844%0.436SS..Hα-helixtrans-65.4-40.9177.8169.60000111.2T422 N423 V424 E429 R430T422-V426 WeakPolarHBondContact O-CG2 3.44Å; T422-V426 PolarHBondContact O-N 3.5Å; N423-V426 PolarHBondContact O-N 3.29Å; V424-V426 PolarHBondContact O-N 3.09Å; V426-E429 PolarHBondContact O-N 2.9Å; V426-R430 PolarHBondContact O-N 3.09Å
427V92.8Very high88.1Confident33 Ų3386.7 Ų86.720%0.244%0.437CS..Hα-helixtrans-68-41.6176.5-177.50000111.5N423 V424 E429 R430 N431 L450N423-V427 PolarHBondContact O-N 2.96Å; N423-V427 VanDerWaalsContact O-N 3.07Å; V424-V427 PolarHBondContact O-N 3.34Å; V427-E429 VanDerWaalsContact C-N 3.35Å; V427-E429 PolarHBondContact O-N 3.34Å; V427-R430 PolarHBondContact O-N 3.33Å; V427-N431 PolarHBondContact O-N 2.84Å; V427-N431 PolarHBondContact O-ND2 3.12Å; V427-L450 HydrophobicContact CB-CD2 3.88Å; V427-L450 HydrophobicContact CG1-CD1 4.4Å; V427-L450 HydrophobicContact CG1-CD2 3.87Å; V427-L450 HydrophobicContact CG2-CD2 4.29Å
428L93.9Very high89.3Confident0 Ų076 Ų760%040%0.399CS..Hα-helixtrans-62.5-39.5174-72.5172.1000112.4I420 V424 R425 N431 F432 M446 L450 I457 W460 F461I420-L428 HydrophobicContact CG2-CD1 4.07Å; V424-L428 HydrophobicContact CG1-CD1 3.93Å; V424-L428 HydrophobicContact CG1-CG 4.34Å; V424-L428 WeakPolarHBondContact O-CB 3.34Å; V424-L428 VanDerWaalsContact O-CG 3.29Å; V424-L428 WeakPolarHBondContact O-CG 3.22Å; V424-L428 PolarHBondContact O-N 2.98Å; R425-L428 PolarHBondContact O-N 3.35Å; L428-N431 PolarHBondContact O-N 3.39Å; L428-F432 WeakPolarHBondContact O-CB 3.42Å; L428-F432 PolarHBondContact O-N 3.09Å; L428-M446 HydrophobicContact CD2-SD 4.34Å; L428-L450 HydrophobicContact CD2-CD1 3.72Å; L428-L450 HydrophobicContact CG-CD1 3.87Å; L428-I457 HydrophobicContact CD2-CD1 4.19Å; L428-I457 HydrophobicContact CD2-CG1 4.23Å; L428-I457 HydrophobicContact CD2-CG2 3.89Å; L428-W460 VanDerWaalsContact C-CH2 3.47Å; L428-W460 HydrophobicContact CB-CD2 4.1Å; L428-W460 HydrophobicContact CB-CE3 3.94Å; L428-W460 HydrophobicContact CB-CH2 3.73Å; L428-W460 HydrophobicContact CB-CZ2 3.86Å; L428-W460 HydrophobicContact CB-CZ3 3.76Å; L428-W460 HydrophobicContact CD1-CD2 3.95Å; L428-W460 HydrophobicContact CD1-CE3 4.32Å; L428-W460 HydrophobicContact CD1-CG 4.06Å; L428-W460 HydrophobicContact CD2-CE3 4.35Å; L428-W460 HydrophobicContact CG-CE3 4.44Å; L428-W460 WeakPolarHBondContact O-CH2 3.33Å; L428-W460 WeakPolarHBondContact O-CZ3 3.37Å; L428-F461 HydrophobicContact CD2-CE2 3.8Å
429E93.9Very high90.1Very high63 Ų6376.8 Ų76.829%0.29440%0.403SS..Hα-helixtrans-67.6-38.5177.3-163.270.8-15000112.1R425 V426 V427 F432 S433 R464R425-E429 VanDerWaalsContact O-CB 3.26Å; R425-E429 WeakPolarHBondContact O-CB 3.49Å; R425-E429 PolarHBondContact O-N 3.47Å; V426-E429 PolarHBondContact O-N 2.9Å; V427-E429 VanDerWaalsContact C-N 3.35Å; V427-E429 PolarHBondContact O-N 3.34Å; E429-F432 PolarHBondContact O-N 3.2Å; E429-S433 PolarHBondContact O-N 2.79Å; E429-S433 VanDerWaalsContact O-N 3.08Å; E429-S433 PolarHBondContact O-OG 3.07Å; E429-R464 VanDerWaalsContact CD-NE 3.27Å; E429-R464 IonicContact OE1-CZ 2.7Å; E429-R464 IonicContact OE1-NE 2.92Å; E429-R464 PolarHBondContact OE1-NE 2.93Å; E429-R464 IonicContact OE1-NH2 3.94Å; E429-R464 PolarHBondContact OE1-NH2 2.85Å; E429-R464 WeakPolarHBondContact OE2-CD 3.47Å; E429-R464 IonicContact OE2-CZ 3.12Å; E429-R464 IonicContact OE2-NE 2.65Å; E429-R464 PolarHBondContact OE2-NE 3.49Å
430R92.3Very high90.9Very high157 Ų15775.9 Ų75.959%0.59240%0.397SS*.Hα-helixtrans-61.5-49.4171.5-173.2-173.3-64134.8-0.7111.1V426 V427 F432 S433 T434V426-R430 PolarHBondContact O-N 3.09Å; V427-R430 PolarHBondContact O-N 3.33Å; R430-F432 VanDerWaalsContact C-N 3.3Å; R430-F432 PolarHBondContact O-N 2.93Å; R430-S433 WeakPolarHBondContact O-CB 2.97Å; R430-S433 PolarHBondContact O-N 3.19Å; R430-S433 VanDerWaalsContact O-N 3.13Å; R430-T434 PolarHBondContact O-N 3.36Å; R430-T434 PolarHBondContact O-OG1 3.35Å
431N89.6Confident91.3Very high56 Ų5682.1 Ų82.130%0.29943%0.426SS..Hα-helixtrans-63.9-33.6177.5-78.9-87000112.3V427 L428 S433 T434 N435 M446 F461V427-N431 PolarHBondContact O-N 2.84Å; V427-N431 PolarHBondContact O-ND2 3.12Å; L428-N431 PolarHBondContact O-N 3.39Å; N431-S433 VanDerWaalsContact C-N 3.32Å; N431-S433 PolarHBondContact O-N 3.48Å; N431-T434 PolarHBondContact O-N 2.75Å; N431-N435 PolarHBondContact O-N 3.3Å; N431-M446 HydrophobicContact CB-SD 3.67Å; N431-F461 HydrophobicContact CB-CZ 4.21Å
432F92.8Very high91.5Very high4 Ų478.6 Ų78.62%0.01841%0.409CS..Hα-helixtrans-64.7-35.3173.3-173-91.4000112.9L428 E429 R430 T434 N435 Q436 W460 F461 R464 R465 E468L428-F432 WeakPolarHBondContact O-CB 3.42Å; L428-F432 PolarHBondContact O-N 3.09Å; E429-F432 PolarHBondContact O-N 3.2Å; R430-F432 VanDerWaalsContact C-N 3.3Å; R430-F432 PolarHBondContact O-N 2.93Å; F432-T434 VanDerWaalsContact C-N 3.32Å; F432-N435 CarbonylContact O-C 3.49Å; F432-Q436 HydrophobicContact CE1-CG 4.05Å; F432-Q436 HydrophobicContact CE2-CB 4.2Å; F432-Q436 HydrophobicContact CE2-CG 4.45Å; F432-Q436 HydrophobicContact CZ-CB 4.15Å; F432-Q436 HydrophobicContact CZ-CG 4.02Å; F432-Q436 WeakPolarHBondContact O-CG 3.41Å; F432-Q436 PolarHBondContact O-N 2.92Å; F432-W460 HydrophobicContact CB-CH2 3.93Å; F432-W460 HydrophobicContact CB-CZ3 4Å; F432-W460 HydrophobicContact CD2-CZ3 4.2Å; F432-W460 HydrophobicContact CG-CH2 4.39Å; F432-W460 HydrophobicContact CG-CZ3 4.42Å; F432-F461 HydrophobicContact CB-CE1 4.04Å; F432-F461 AromaticContact CD2-CD1 3.7Å; F432-F461 HydrophobicContact CD2-CD1 3.7Å; F432-F461 AromaticContact CD2-CE1 3.86Å; F432-F461 HydrophobicContact CD2-CE1 3.86Å; F432-F461 HydrophobicContact CE2-CD1 4.41Å; F432-F461 HydrophobicContact CG-CE1 4.46Å; F432-R464 HydrophobicContact CD1-CG 3.9Å; F432-R464 HydrophobicContact CD2-CB 3.97Å; F432-R464 HydrophobicContact CD2-CG 3.56Å; F432-R464 HydrophobicContact CE1-CG 3.98Å; F432-R464 HydrophobicContact CE2-CB 3.89Å; F432-R464 HydrophobicContact CE2-CG 3.64Å; F432-R464 HydrophobicContact CG-CG 3.71Å; F432-R464 HydrophobicContact CZ-CB 4.43Å; F432-R464 HydrophobicContact CZ-CG 3.86Å; F432-R465 HydrophobicContact CE2-CB 4.17Å; F432-R465 HydrophobicContact CZ-CB 4.34Å; F432-E468 WeakPolarHBondContact CZ-OE2 3.18Å
433S88.8Confident91.7Very high94 Ų9474.5 Ų74.566%0.65738%0.383SS*.Hα-helixtrans-69.3-30.7175.9-550000112.2E429 R430 N431E429-S433 PolarHBondContact O-N 2.79Å; E429-S433 VanDerWaalsContact O-N 3.08Å; E429-S433 PolarHBondContact O-OG 3.07Å; R430-S433 WeakPolarHBondContact O-CB 2.97Å; R430-S433 PolarHBondContact O-N 3.19Å; R430-S433 VanDerWaalsContact O-N 3.13Å; N431-S433 VanDerWaalsContact C-N 3.32Å; N431-S433 PolarHBondContact O-N 3.48Å
434T90.8Very high92Very high104 Ų10473.4 Ų73.464%0.63838%0.377SS*.Hα-helixtrans-76.2-59.5171.3-51.80000111.3R430 N431 F432R430-T434 PolarHBondContact O-N 3.36Å; R430-T434 PolarHBondContact O-OG1 3.35Å; N431-T434 PolarHBondContact O-N 2.75Å; F432-T434 VanDerWaalsContact C-N 3.32Å
435N84.3Confident92.1Very high76 Ų7677.6 Ų77.641%0.40640%0.398SS..  trans-129.1102.9-175-77.1-15.5000111N431 F432 K437 P438 E442N431-N435 PolarHBondContact O-N 3.3Å; F432-N435 CarbonylContact O-C 3.49Å; N435-K437 PolarHBondContact O-N 2.88Å; N435-P438 WeakPolarHBondContact O-CD 3.3Å; N435-E442 PolarHBondContact ND2-OE1 2.87Å
436Q88.9Confident92.1Very high88 Ų8872.4 Ų72.441%0.41138%0.379SS..SBendtrans-70.7-12.8177.9-61-166.5-15.300114.9F432 R465 E468F432-Q436 HydrophobicContact CE1-CG 4.05Å; F432-Q436 HydrophobicContact CE2-CB 4.2Å; F432-Q436 HydrophobicContact CE2-CG 4.45Å; F432-Q436 HydrophobicContact CZ-CB 4.15Å; F432-Q436 HydrophobicContact CZ-CG 4.02Å; F432-Q436 WeakPolarHBondContact O-CG 3.41Å; F432-Q436 PolarHBondContact O-N 2.92Å; Q436-R465 PolarHBondContact O-NH1 3.05Å; Q436-E468 PolarHBondContact NE2-OE1 2.74Å; Q436-E468 PolarHBondContact OE1-OE2 3.1Å
437K90.7Very high92.2Very high169 Ų16969.3 Ų69.374%0.73536%0.362SS*.SBendtrans-135.966.9-179.8-65.2179.6-176.1171.40109.8N435N435-K437 PolarHBondContact O-N 2.88Å
438P91.3Very high92.3Very high15 Ų1575 Ų7510%0.09739%0.386CS..  trans-62.6143.8176.830.4-36.6000110.3N435 E442 I443 M446 F461N435-P438 WeakPolarHBondContact O-CD 3.3Å; P438-E442 HydrophobicContact CB-CB 3.83Å; P438-I443 HydrophobicContact CB-CG1 3.98Å; P438-I443 HydrophobicContact CG-CD1 4.1Å; P438-I443 HydrophobicContact CG-CG1 3.74Å; P438-M446 HydrophobicContact CB-CE 3.71Å; P438-M446 HydrophobicContact CG-CE 3.95Å; P438-F461 HydrophobicContact CG-CB 4.48Å; P438-F461 HydrophobicContact CG-CD1 3.52Å; P438-F461 HydrophobicContact CG-CD2 3.95Å; P438-F461 HydrophobicContact CG-CE1 3.59Å; P438-F461 HydrophobicContact CG-CE2 4.02Å; P438-F461 HydrophobicContact CG-CG 3.72Å; P438-F461 HydrophobicContact CG-CZ 3.86Å
439T94.7Very high92.2Very high74 Ų7481.7 Ų81.745%0.45442%0.417SS..  trans-66.7168.8175.458.70000112.4E441 E442 I443T439-E441 PolarHBondContact O-N 3.19Å; T439-E442 WeakPolarHBondContact CB-OE2 3.31Å; T439-E442 WeakPolarHBondContact CG2-OE2 3.11Å; T439-E442 PolarHBondContact N-OE2 2.86Å; T439-E442 PolarHBondContact O-N 2.76Å; T439-E442 WeakPolarHBondContact OG1-CG 3.32Å; T439-E442 PolarHBondContact OG1-N 3.37Å; T439-E442 PolarHBondContact OG1-OE2 2.8Å; T439-I443 WeakPolarHBondContact O-CB 3.34Å; T439-I443 WeakPolarHBondContact O-CD1 3.18Å; T439-I443 WeakPolarHBondContact O-CG1 3.48Å; T439-I443 PolarHBondContact O-N 3.47Å
440S93.4Very high92.1Very high84 Ų8480 Ų8059%0.58741%0.41SS*.Hα-helixtrans-60.1-24.1174.9-169.60000112.8L444 K454S440-L444 PolarHBondContact O-N 3.07Å; S440-K454 WeakPolarHBondContact O-CE 3.35Å; S440-K454 PolarHBondContact O-NZ 3.37Å; S440-K454 PolarHBondContact OG-NZ 3.15Å
441E94.4Very high92.1Very high157 Ų15779.9 Ų79.973%0.73442%0.421SS*.Hα-helixtrans-82.8-50.1179-174.8171.1-166.900111.5T439 I443 L444 L445T439-E441 PolarHBondContact O-N 3.19Å; E441-I443 PolarHBondContact O-N 2.82Å; E441-L444 WeakPolarHBondContact O-CA 3.48Å; E441-L444 VanDerWaalsContact O-CB 3.32Å; E441-L444 WeakPolarHBondContact O-CB 3.33Å; E441-L444 PolarHBondContact O-N 3Å; E441-L445 PolarHBondContact O-N 3.25Å
442E93.5Very high92.2Very high57 Ų5778.9 Ų78.927%0.26642%0.415SS..Hα-helixtrans-57.3-37.7172.3-71.3163.692.200112.2N435 P438 T439 L444 L445 M446N435-E442 PolarHBondContact ND2-OE1 2.87Å; P438-E442 HydrophobicContact CB-CB 3.83Å; T439-E442 WeakPolarHBondContact CB-OE2 3.31Å; T439-E442 WeakPolarHBondContact CG2-OE2 3.11Å; T439-E442 PolarHBondContact N-OE2 2.86Å; T439-E442 PolarHBondContact O-N 2.76Å; T439-E442 WeakPolarHBondContact OG1-CG 3.32Å; T439-E442 PolarHBondContact OG1-N 3.37Å; T439-E442 PolarHBondContact OG1-OE2 2.8Å; E442-L444 VanDerWaalsContact C-N 3.29Å; E442-L444 PolarHBondContact O-N 3.07Å; E442-L445 PolarHBondContact O-N 3.36Å; E442-M446 HydrophobicContact CB-CE 4.32Å; E442-M446 WeakPolarHBondContact O-CB 3.5Å; E442-M446 WeakPolarHBondContact O-CE 3.34Å; E442-M446 WeakPolarHBondContact O-CG 3.41Å; E442-M446 PolarHBondContact O-N 2.93Å
443I93.7Very high92.2Very high14 Ų1483.2 Ų83.27%0.07244%0.435CS..Hα-helixtrans-65.8-31.2174.6-66.5169.1000111.5P438 T439 E441 M446 A447 K454 I457 R458P438-I443 HydrophobicContact CB-CG1 3.98Å; P438-I443 HydrophobicContact CG-CD1 4.1Å; P438-I443 HydrophobicContact CG-CG1 3.74Å; T439-I443 WeakPolarHBondContact O-CB 3.34Å; T439-I443 WeakPolarHBondContact O-CD1 3.18Å; T439-I443 WeakPolarHBondContact O-CG1 3.48Å; T439-I443 PolarHBondContact O-N 3.47Å; E441-I443 PolarHBondContact O-N 2.82Å; I443-M446 HydrophobicContact CG1-CE 4.4Å; I443-A447 VanDerWaalsContact O-CB 3.23Å; I443-A447 WeakPolarHBondContact O-CB 3.14Å; I443-A447 PolarHBondContact O-N 3.32Å; I443-K454 HydrophobicContact CG2-CG 3.77Å; I443-I457 HydrophobicContact CG2-CB 4.26Å; I443-I457 HydrophobicContact CG2-CG2 4.02Å; I443-R458 HydrophobicContact CD1-CB 4.39Å; I443-R458 HydrophobicContact CD1-CG 4.19Å; I443-R458 HydrophobicContact CG2-CB 4.21Å
444L94.9Very high92.4Very high93 Ų9382.3 Ų82.349%0.48742%0.42SS..Hα-helixtrans-72.7-46.3173.6-177.766.1000111S440 E441 E442 M446 A447 E448 K454S440-L444 PolarHBondContact O-N 3.07Å; E441-L444 WeakPolarHBondContact O-CA 3.48Å; E441-L444 VanDerWaalsContact O-CB 3.32Å; E441-L444 WeakPolarHBondContact O-CB 3.33Å; E441-L444 PolarHBondContact O-N 3Å; E442-L444 VanDerWaalsContact C-N 3.29Å; E442-L444 PolarHBondContact O-N 3.07Å; L444-M446 VanDerWaalsContact C-N 3.29Å; L444-M446 PolarHBondContact O-N 2.87Å; L444-A447 WeakPolarHBondContact O-CA 2.96Å; L444-A447 WeakPolarHBondContact O-CB 3.46Å; L444-A447 PolarHBondContact O-N 2.91Å; L444-E448 PolarHBondContact O-N 3.42Å; L444-K454 HydrophobicContact CB-CD 4.43Å; L444-K454 HydrophobicContact CD1-CD 4.18Å
445L94.3Very high92.5Very high101 Ų10181.3 Ų81.353%0.52941%0.408SS..Hα-helixtrans-63.3-34178.6-172.665.9000112.3E441 E442 Q449E441-L445 PolarHBondContact O-N 3.25Å; E442-L445 PolarHBondContact O-N 3.36Å; L445-Q449 WeakPolarHBondContact O-CB 3.49Å; L445-Q449 WeakPolarHBondContact O-CG 3.33Å; L445-Q449 PolarHBondContact O-N 3.32Å; L445-Q449 PolarHBondContact O-NE2 3.37Å
446M93.4Very high93Very high8 Ų878.7 Ų78.74%0.03939%0.394CS..Hα-helixtrans-72.5-33.3169.4-75.7-174.2-79.200112.8L428 N431 P438 E442 I443 L444 L450 I457 F461L428-M446 HydrophobicContact CD2-SD 4.34Å; N431-M446 HydrophobicContact CB-SD 3.67Å; P438-M446 HydrophobicContact CB-CE 3.71Å; P438-M446 HydrophobicContact CG-CE 3.95Å; E442-M446 HydrophobicContact CB-CE 4.32Å; E442-M446 WeakPolarHBondContact O-CB 3.5Å; E442-M446 WeakPolarHBondContact O-CE 3.34Å; E442-M446 WeakPolarHBondContact O-CG 3.41Å; E442-M446 PolarHBondContact O-N 2.93Å; I443-M446 HydrophobicContact CG1-CE 4.4Å; L444-M446 VanDerWaalsContact C-N 3.29Å; L444-M446 PolarHBondContact O-N 2.87Å; M446-L450 HydrophobicContact CB-CD1 4.39Å; M446-L450 WeakPolarHBondContact O-CB 3.44Å; M446-L450 VanDerWaalsContact O-CG 3.28Å; M446-L450 WeakPolarHBondContact O-CG 3.29Å; M446-L450 PolarHBondContact O-N 3.38Å; M446-I457 HydrophobicContact CB-CD1 3.93Å; M446-I457 HydrophobicContact CB-CG2 4.48Å; M446-I457 WeakPolarHBondContact O-CD1 3.47Å; M446-F461 HydrophobicContact CE-CE2 3.58Å; M446-F461 HydrophobicContact CE-CZ 3.7Å; M446-F461 HydrophobicContact SD-CE2 3.77Å; M446-F461 HydrophobicContact SD-CZ 3.8Å
447A94.4Very high93.3Very high9 Ų974.5 Ų74.57%0.07438%0.375CS..Hα-helixtrans-66.6-39.4178.700000112I443 L444 N451 M452 K454 I457I443-A447 VanDerWaalsContact O-CB 3.23Å; I443-A447 WeakPolarHBondContact O-CB 3.14Å; I443-A447 PolarHBondContact O-N 3.32Å; L444-A447 WeakPolarHBondContact O-CA 2.96Å; L444-A447 WeakPolarHBondContact O-CB 3.46Å; L444-A447 PolarHBondContact O-N 2.91Å; A447-N451 CarbonylContact O-C 3.56Å; A447-N451 WeakPolarHBondContact O-CA 3.48Å; A447-N451 PolarHBondContact O-N 3.03Å; A447-M452 WeakPolarHBondContact CB-O 3.47Å; A447-M452 PolarHBondContact O-N 3.18Å; A447-K454 HydrophobicContact CB-CB 4.23Å; A447-I457 HydrophobicContact CB-CD1 4.12Å
448E94.4Very high93.5Very high153 Ų15371.8 Ų71.872%0.71536%0.36SS*.Hα-helixtrans-67.7-56.5173.8-172.6166-147.700111.6L444 L450 N451L444-E448 PolarHBondContact O-N 3.42Å; E448-L450 PolarHBondContact O-N 3.32Å; E448-L450 VanDerWaalsContact O-N 3.13Å; E448-N451 PolarHBondContact O-N 3.45Å
449Q92.3Very high93.6Very high140 Ų14073.7 Ų73.765%0.65437%0.371SS*.Hα-helixtrans-57-30.7179.2-77.8175.592.100114.6L445L445-Q449 WeakPolarHBondContact O-CB 3.49Å; L445-Q449 WeakPolarHBondContact O-CG 3.33Å; L445-Q449 PolarHBondContact O-N 3.32Å; L445-Q449 PolarHBondContact O-NE2 3.37Å
450L91.1Very high93.7Very high28 Ų2871.6 Ų71.615%0.14736%0.355CS..THydrogen-bonded Turntrans-103.34.8-178.1-58.9170000112.9V424 V427 L428 M446 E448 M452 I457V424-L450 HydrophobicContact CG1-CB 4.1Å; V424-L450 HydrophobicContact CG1-CD1 4.13Å; V424-L450 HydrophobicContact CG1-CD2 4.3Å; V424-L450 HydrophobicContact CG1-CG 4.41Å; V427-L450 HydrophobicContact CB-CD2 3.88Å; V427-L450 HydrophobicContact CG1-CD1 4.4Å; V427-L450 HydrophobicContact CG1-CD2 3.87Å; V427-L450 HydrophobicContact CG2-CD2 4.29Å; L428-L450 HydrophobicContact CD2-CD1 3.72Å; L428-L450 HydrophobicContact CG-CD1 3.87Å; M446-L450 HydrophobicContact CB-CD1 4.39Å; M446-L450 WeakPolarHBondContact O-CB 3.44Å; M446-L450 VanDerWaalsContact O-CG 3.28Å; M446-L450 WeakPolarHBondContact O-CG 3.29Å; M446-L450 PolarHBondContact O-N 3.38Å; E448-L450 PolarHBondContact O-N 3.32Å; E448-L450 VanDerWaalsContact O-N 3.13Å; L450-M452 HydrophobicContact CB-CG 4.2Å; L450-M452 VanDerWaalsContact O-CG 3.25Å; L450-M452 WeakPolarHBondContact O-CG 3.41Å; L450-M452 PolarHBondContact O-N 3.14Å; L450-I457 HydrophobicContact CD1-CD1 4.11Å
451N92.6Very high93.7Very high154 Ų15467.8 Ų67.882%0.82433%0.327SS*.THydrogen-bonded Turntrans44.647-176.7-159103.8000112.8A447 E448A447-N451 CarbonylContact O-C 3.56Å; A447-N451 WeakPolarHBondContact O-CA 3.48Å; A447-N451 PolarHBondContact O-N 3.03Å; E448-N451 PolarHBondContact O-N 3.45Å
452M92.3Very high93.6Very high34 Ų3462.1 Ų62.117%0.16731%0.305CS..  trans-120.1151-177-69.8-13186.100112T418 I420 V424 A447 L450 K454 V456 I457T418-M452 HydrophobicContact CG2-CE 3.61Å; I420-M452 HydrophobicContact CG1-CE 4.31Å; I420-M452 HydrophobicContact CG1-SD 4.11Å; I420-M452 HydrophobicContact CG2-SD 4.39Å; V424-M452 HydrophobicContact CG1-CG 4.12Å; V424-M452 HydrophobicContact CG1-SD 3.75Å; A447-M452 WeakPolarHBondContact CB-O 3.47Å; A447-M452 PolarHBondContact O-N 3.18Å; L450-M452 HydrophobicContact CB-CG 4.2Å; L450-M452 VanDerWaalsContact O-CG 3.25Å; L450-M452 WeakPolarHBondContact O-CG 3.41Å; L450-M452 PolarHBondContact O-N 3.14Å; M452-K454 PolarHBondContact O-N 3.06Å; M452-V456 HydrophobicContact CE-CG1 4.04Å; M452-V456 HydrophobicContact SD-CG1 4.18Å; M452-I457 HydrophobicContact CB-CD1 4.12Å; M452-I457 HydrophobicContact CB-CG1 4.09Å
453E92.1Very high93.6Very high95 Ų9563.5 Ų63.544%0.44431%0.314SS..  trans-57.8126.2172-176.2-179.8-175.800110.1K415 E455 V456 I457K415-E453 IonicContact NZ-OE1 3.96Å; K415-E453 PolarHBondContact NZ-OE1 3.21Å; K415-E453 IonicContact NZ-OE2 2.8Å; K415-E453 PolarHBondContact NZ-OE2 3.3Å; E453-E455 HydrophobicContact CG-CB 4.18Å; E453-E455 PolarHBondContact O-N 3.37Å; E453-V456 HydrophobicContact CB-CB 4.3Å; E453-V456 HydrophobicContact CB-CG2 3.87Å; E453-V456 HydrophobicContact CG-CG2 4.4Å; E453-V456 WeakPolarHBondContact O-CA 3.49Å; E453-V456 WeakPolarHBondContact O-CB 3.29Å; E453-V456 PolarHBondContact O-N 2.85Å; E453-I457 PolarHBondContact O-N 2.91Å
454K93.6Very high93.5Very high76 Ų7665 Ų6533%0.3332%0.319SS..Hα-helixtrans-48.8-38.8-179.3-169.3-177.2-178169.90112.8S440 I443 L444 A447 M452 I457 R458S440-K454 WeakPolarHBondContact O-CE 3.35Å; S440-K454 PolarHBondContact O-NZ 3.37Å; S440-K454 PolarHBondContact OG-NZ 3.15Å; I443-K454 HydrophobicContact CG2-CG 3.77Å; L444-K454 HydrophobicContact CB-CD 4.43Å; L444-K454 HydrophobicContact CD1-CD 4.18Å; A447-K454 HydrophobicContact CB-CB 4.23Å; M452-K454 PolarHBondContact O-N 3.06Å; K454-I457 PolarHBondContact O-N 3.02Å; K454-R458 WeakPolarHBondContact O-CB 3.3Å; K454-R458 PolarHBondContact O-N 2.88Å
455E92.9Very high93.3Very high83 Ų8364 Ų6439%0.38831%0.308SS..Hα-helixtrans-65.6-36.5176.8179.458.9-170.100113E453 R458 V459E453-E455 HydrophobicContact CG-CB 4.18Å; E453-E455 PolarHBondContact O-N 3.37Å; E455-R458 VanDerWaalsContact CD-NH2 3.29Å; E455-R458 PolarHBondContact O-N 3.39Å; E455-R458 IonicContact OE1-CZ 3.06Å; E455-R458 IonicContact OE1-NE 3.07Å; E455-R458 IonicContact OE1-NH2 3.3Å; E455-R458 PolarHBondContact OE1-NH2 2.86Å; E455-R458 IonicContact OE2-CZ 2.94Å; E455-R458 VanDerWaalsContact OE2-CZ 3.3Å; E455-R458 IonicContact OE2-NE 3.67Å; E455-R458 PolarHBondContact OE2-NE 3.33Å; E455-R458 IonicContact OE2-NH2 3.31Å; E455-R458 PolarHBondContact OE2-NH2 3.31Å; E455-R458 VanDerWaalsContact OE2-NH2 3.07Å; E455-V459 HydrophobicContact CG-CG2 4.33Å; E455-V459 VanDerWaalsContact O-CB 3.25Å; E455-V459 WeakPolarHBondContact O-CB 3.25Å; E455-V459 VanDerWaalsContact O-CG2 3.24Å; E455-V459 WeakPolarHBondContact O-CG2 3.42Å; E455-V459 PolarHBondContact O-N 2.99Å; E455-V459 VanDerWaalsContact OE1-CG2 3.25Å; E455-V459 WeakPolarHBondContact OE1-CG2 3.47Å
456V94.1Very high93Very high20 Ų2064 Ų6412%0.12131%0.306CS..Hα-helixtrans-65.5-41.4177.3172.70000110.7T418 I420 M452 E453 W460T418-V456 HydrophobicContact CG2-CG1 4.21Å; T418-V456 HydrophobicContact CG2-CG2 4.15Å; I420-V456 HydrophobicContact CD1-CG1 3.89Å; I420-V456 HydrophobicContact CG1-CG1 4.01Å; M452-V456 HydrophobicContact CE-CG1 4.04Å; M452-V456 HydrophobicContact SD-CG1 4.18Å; E453-V456 HydrophobicContact CB-CB 4.3Å; E453-V456 HydrophobicContact CB-CG2 3.87Å; E453-V456 HydrophobicContact CG-CG2 4.4Å; E453-V456 WeakPolarHBondContact O-CA 3.49Å; E453-V456 WeakPolarHBondContact O-CB 3.29Å; E453-V456 PolarHBondContact O-N 2.85Å; V456-W460 VanDerWaalsContact O-CB 3.31Å; V456-W460 WeakPolarHBondContact O-CB 3.26Å; V456-W460 PolarHBondContact O-N 2.92Å
457I94.6Very high92.7Very high0 Ų069 Ų690%033%0.327CS..Hα-helixtrans-67.5-47.4174.6-64.8-171.8000110.8L428 I443 M446 A447 L450 M452 E453 K454 V459 W460 F461L428-I457 HydrophobicContact CD2-CD1 4.19Å; L428-I457 HydrophobicContact CD2-CG1 4.23Å; L428-I457 HydrophobicContact CD2-CG2 3.89Å; I443-I457 HydrophobicContact CG2-CB 4.26Å; I443-I457 HydrophobicContact CG2-CG2 4.02Å; M446-I457 HydrophobicContact CB-CD1 3.93Å; M446-I457 HydrophobicContact CB-CG2 4.48Å; M446-I457 WeakPolarHBondContact O-CD1 3.47Å; A447-I457 HydrophobicContact CB-CD1 4.12Å; L450-I457 HydrophobicContact CD1-CD1 4.11Å; M452-I457 HydrophobicContact CB-CD1 4.12Å; M452-I457 HydrophobicContact CB-CG1 4.09Å; E453-I457 PolarHBondContact O-N 2.91Å; K454-I457 PolarHBondContact O-N 3.02Å; I457-V459 VanDerWaalsContact C-N 3.31Å; I457-V459 PolarHBondContact O-N 3.33Å; I457-W460 WeakPolarHBondContact O-CA 3.28Å; I457-W460 WeakPolarHBondContact O-CB 3.02Å; I457-W460 PolarHBondContact O-N 2.89Å; I457-F461 HydrophobicContact CG2-CD2 3.7Å; I457-F461 HydrophobicContact CG2-CE2 3.73Å; I457-F461 WeakPolarHBondContact O-CD2 3.18Å; I457-F461 PolarHBondContact O-N 2.78Å
458R95.1Very high92.4Very high113 Ų11371 Ų7143%0.42634%0.335SS..Hα-helixtrans-55.6-45.5176.9-167.6-169.270.785.92.9112I443 K454 E455 F461 C462I443-R458 HydrophobicContact CD1-CB 4.39Å; I443-R458 HydrophobicContact CD1-CG 4.19Å; I443-R458 HydrophobicContact CG2-CB 4.21Å; K454-R458 WeakPolarHBondContact O-CB 3.3Å; K454-R458 PolarHBondContact O-N 2.88Å; E455-R458 VanDerWaalsContact CD-NH2 3.29Å; E455-R458 PolarHBondContact O-N 3.39Å; E455-R458 IonicContact OE1-CZ 3.06Å; E455-R458 IonicContact OE1-NE 3.07Å; E455-R458 IonicContact OE1-NH2 3.3Å; E455-R458 PolarHBondContact OE1-NH2 2.86Å; E455-R458 IonicContact OE2-CZ 2.94Å; E455-R458 VanDerWaalsContact OE2-CZ 3.3Å; E455-R458 IonicContact OE2-NE 3.67Å; E455-R458 PolarHBondContact OE2-NE 3.33Å; E455-R458 IonicContact OE2-NH2 3.31Å; E455-R458 PolarHBondContact OE2-NH2 3.31Å; E455-R458 VanDerWaalsContact OE2-NH2 3.07Å; R458-F461 PolarHBondContact O-N 3.05Å; R458-C462 PolarHBondContact O-N 3.36Å; R458-C462 VanDerWaalsContact O-N 3.08Å
459V94.8Very high91.7Very high54 Ų5470.4 Ų70.433%0.32733%0.33SS..Hα-helixtrans-68.6-35.2176.3169.20000111.5E455 I457 N463E455-V459 HydrophobicContact CG-CG2 4.33Å; E455-V459 VanDerWaalsContact O-CB 3.25Å; E455-V459 WeakPolarHBondContact O-CB 3.25Å; E455-V459 VanDerWaalsContact O-CG2 3.24Å; E455-V459 WeakPolarHBondContact O-CG2 3.42Å; E455-V459 PolarHBondContact O-N 2.99Å; E455-V459 VanDerWaalsContact OE1-CG2 3.25Å; E455-V459 WeakPolarHBondContact OE1-CG2 3.47Å; I457-V459 VanDerWaalsContact C-N 3.31Å; I457-V459 PolarHBondContact O-N 3.33Å; V459-N463 VanDerWaalsContact CG1-ND2 3.32Å; V459-N463 WeakPolarHBondContact CG1-ND2 3.46Å; V459-N463 WeakPolarHBondContact O-CB 3.15Å; V459-N463 VanDerWaalsContact O-CG 3.3Å; V459-N463 PolarHBondContact O-N 2.8Å; V459-N463 PolarHBondContact O-ND2 2.84Å
460W95Very high91Very high31 Ų3173 Ų7312%0.11733%0.334CS..Hα-helixtrans-62-49.8172.8-176.593.4000111.6I420 L428 F432 V456 I457 C462 N463 R464I420-W460 HydrophobicContact CD1-CB 4.13Å; I420-W460 HydrophobicContact CD1-CG 4.1Å; L428-W460 VanDerWaalsContact C-CH2 3.47Å; L428-W460 HydrophobicContact CB-CD2 4.1Å; L428-W460 HydrophobicContact CB-CE3 3.94Å; L428-W460 HydrophobicContact CB-CH2 3.73Å; L428-W460 HydrophobicContact CB-CZ2 3.86Å; L428-W460 HydrophobicContact CB-CZ3 3.76Å; L428-W460 HydrophobicContact CD1-CD2 3.95Å; L428-W460 HydrophobicContact CD1-CE3 4.32Å; L428-W460 HydrophobicContact CD1-CG 4.06Å; L428-W460 HydrophobicContact CD2-CE3 4.35Å; L428-W460 HydrophobicContact CG-CE3 4.44Å; L428-W460 WeakPolarHBondContact O-CH2 3.33Å; L428-W460 WeakPolarHBondContact O-CZ3 3.37Å; F432-W460 HydrophobicContact CB-CH2 3.93Å; F432-W460 HydrophobicContact CB-CZ3 4Å; F432-W460 HydrophobicContact CD2-CZ3 4.2Å; F432-W460 HydrophobicContact CG-CH2 4.39Å; F432-W460 HydrophobicContact CG-CZ3 4.42Å; V456-W460 VanDerWaalsContact O-CB 3.31Å; V456-W460 WeakPolarHBondContact O-CB 3.26Å; V456-W460 PolarHBondContact O-N 2.92Å; I457-W460 WeakPolarHBondContact O-CA 3.28Å; I457-W460 WeakPolarHBondContact O-CB 3.02Å; I457-W460 PolarHBondContact O-N 2.89Å; W460-C462 VanDerWaalsContact C-N 3.35Å; W460-C462 PolarHBondContact O-N 3.05Å; W460-N463 CarbonylContact O-C 3.57Å; W460-N463 PolarHBondContact O-N 2.75Å; W460-N463 VanDerWaalsContact O-N 3.12Å; W460-R464 HydrophobicContact CD2-CB 4.42Å; W460-R464 HydrophobicContact CE3-CB 4.21Å; W460-R464 HydrophobicContact CH2-CB 3.97Å; W460-R464 HydrophobicContact CH2-CG 3.63Å; W460-R464 HydrophobicContact CZ2-CB 4.21Å; W460-R464 HydrophobicContact CZ2-CG 3.99Å; W460-R464 HydrophobicContact CZ3-CB 3.97Å; W460-R464 HydrophobicContact CZ3-CG 4.05Å; W460-R464 WeakPolarHBondContact O-CB 3.48Å; W460-R464 PolarHBondContact O-N 3.16Å
461F94.8Very high90.2Very high3 Ų377.2 Ų77.21%0.01336%0.356CS..Hα-helixtrans-61.4-40.7178-88.2-88.5000112.3L428 N431 F432 P438 M446 I457 R458 R464 R465L428-F461 HydrophobicContact CD2-CE2 3.8Å; N431-F461 HydrophobicContact CB-CZ 4.21Å; F432-F461 HydrophobicContact CB-CE1 4.04Å; F432-F461 AromaticContact CD2-CD1 3.7Å; F432-F461 HydrophobicContact CD2-CD1 3.7Å; F432-F461 AromaticContact CD2-CE1 3.86Å; F432-F461 HydrophobicContact CD2-CE1 3.86Å; F432-F461 HydrophobicContact CE2-CD1 4.41Å; F432-F461 HydrophobicContact CG-CE1 4.46Å; P438-F461 HydrophobicContact CG-CB 4.48Å; P438-F461 HydrophobicContact CG-CD1 3.52Å; P438-F461 HydrophobicContact CG-CD2 3.95Å; P438-F461 HydrophobicContact CG-CE1 3.59Å; P438-F461 HydrophobicContact CG-CE2 4.02Å; P438-F461 HydrophobicContact CG-CG 3.72Å; P438-F461 HydrophobicContact CG-CZ 3.86Å; M446-F461 HydrophobicContact CE-CE2 3.58Å; M446-F461 HydrophobicContact CE-CZ 3.7Å; M446-F461 HydrophobicContact SD-CE2 3.77Å; M446-F461 HydrophobicContact SD-CZ 3.8Å; I457-F461 HydrophobicContact CG2-CD2 3.7Å; I457-F461 HydrophobicContact CG2-CE2 3.73Å; I457-F461 WeakPolarHBondContact O-CD2 3.18Å; I457-F461 PolarHBondContact O-N 2.78Å; R458-F461 PolarHBondContact O-N 3.05Å; F461-R464 PolarHBondContact O-N 3.35Å; F461-R465 WeakPolarHBondContact O-CB 3.21Å; F461-R465 PolarHBondContact O-N 3.36Å; F461-R465 VanDerWaalsContact O-N 3.07Å
462C91.6Very high88.8Confident39 Ų3974 Ų7426%0.26434%0.339SS..Hα-helixtrans-61-44.6172.4-79.60000112.5R458 W460 R465 Q466R458-C462 PolarHBondContact O-N 3.36Å; R458-C462 VanDerWaalsContact O-N 3.08Å; W460-C462 VanDerWaalsContact C-N 3.35Å; W460-C462 PolarHBondContact O-N 3.05Å; C462-R465 PolarHBondContact SG-NH2 2.82Å; C462-R465 VanDerWaalsContact SG-NH2 3.4Å; C462-Q466 WeakPolarHBondContact O-CG 3.31Å; C462-Q466 PolarHBondContact O-N 3.49Å; C462-Q466 VanDerWaalsContact O-N 3.09Å
463N93.4Very high86.9Confident85 Ų8577 Ų7746%0.45536%0.36SS..Hα-helixtrans-67.8-35.8176.6-75.5-47.1000112.6V459 W460 Q466 K467V459-N463 VanDerWaalsContact CG1-ND2 3.32Å; V459-N463 WeakPolarHBondContact CG1-ND2 3.46Å; V459-N463 WeakPolarHBondContact O-CB 3.15Å; V459-N463 VanDerWaalsContact O-CG 3.3Å; V459-N463 PolarHBondContact O-N 2.8Å; V459-N463 PolarHBondContact O-ND2 2.84Å; W460-N463 CarbonylContact O-C 3.57Å; W460-N463 PolarHBondContact O-N 2.75Å; W460-N463 VanDerWaalsContact O-N 3.12Å; N463-Q466 PolarHBondContact O-N 3.45Å; N463-K467 WeakPolarHBondContact O-CB 3.38Å; N463-K467 PolarHBondContact O-N 3.38Å
464R92.9Very high84.4Confident47 Ų4777.2 Ų77.218%0.17737%0.373CS..Hα-helixtrans-68.3-42.5-178.9-172.966-167.975.60.2111.8E429 F432 W460 F461 K467 E468E429-R464 VanDerWaalsContact CD-NE 3.27Å; E429-R464 IonicContact OE1-CZ 2.7Å; E429-R464 IonicContact OE1-NE 2.92Å; E429-R464 PolarHBondContact OE1-NE 2.93Å; E429-R464 IonicContact OE1-NH2 3.94Å; E429-R464 PolarHBondContact OE1-NH2 2.85Å; E429-R464 WeakPolarHBondContact OE2-CD 3.47Å; E429-R464 IonicContact OE2-CZ 3.12Å; E429-R464 IonicContact OE2-NE 2.65Å; E429-R464 PolarHBondContact OE2-NE 3.49Å; F432-R464 HydrophobicContact CD1-CG 3.9Å; F432-R464 HydrophobicContact CD2-CB 3.97Å; F432-R464 HydrophobicContact CD2-CG 3.56Å; F432-R464 HydrophobicContact CE1-CG 3.98Å; F432-R464 HydrophobicContact CE2-CB 3.89Å; F432-R464 HydrophobicContact CE2-CG 3.64Å; F432-R464 HydrophobicContact CG-CG 3.71Å; F432-R464 HydrophobicContact CZ-CB 4.43Å; F432-R464 HydrophobicContact CZ-CG 3.86Å; W460-R464 HydrophobicContact CD2-CB 4.42Å; W460-R464 HydrophobicContact CE3-CB 4.21Å; W460-R464 HydrophobicContact CH2-CB 3.97Å; W460-R464 HydrophobicContact CH2-CG 3.63Å; W460-R464 HydrophobicContact CZ2-CB 4.21Å; W460-R464 HydrophobicContact CZ2-CG 3.99Å; W460-R464 HydrophobicContact CZ3-CB 3.97Å; W460-R464 HydrophobicContact CZ3-CG 4.05Å; W460-R464 WeakPolarHBondContact O-CB 3.48Å; W460-R464 PolarHBondContact O-N 3.16Å; F461-R464 PolarHBondContact O-N 3.35Å; R464-K467 WeakPolarHBondContact O-CB 3.4Å; R464-K467 PolarHBondContact O-N 3.01Å; R464-E468 PolarHBondContact O-N 3.21Å
465R90.8Very high82.4Confident70 Ų7077.9 Ų77.926%0.26439%0.387SS..Hα-helixtrans-67.4-34.4172.9-172170.859.8-104.9-3.7112.7F432 Q436 F461 C462 K469F432-R465 HydrophobicContact CE2-CB 4.17Å; F432-R465 HydrophobicContact CZ-CB 4.34Å; Q436-R465 PolarHBondContact O-NH1 3.05Å; F461-R465 WeakPolarHBondContact O-CB 3.21Å; F461-R465 PolarHBondContact O-N 3.36Å; F461-R465 VanDerWaalsContact O-N 3.07Å; C462-R465 PolarHBondContact SG-NH2 2.82Å; C462-R465 VanDerWaalsContact SG-NH2 3.4Å; R465-K469 WeakPolarHBondContact O-CG 3.42Å; R465-K469 PolarHBondContact O-N 2.68Å
466Q86.3Confident80.4Confident101 Ų10178.2 Ų78.247%0.47240%0.398SS..Hα-helixtrans-67.7-38.6169.8-75.7-179.734.300112.6C462 N463 R470C462-Q466 WeakPolarHBondContact O-CG 3.31Å; C462-Q466 PolarHBondContact O-N 3.49Å; C462-Q466 VanDerWaalsContact O-N 3.09Å; N463-Q466 PolarHBondContact O-N 3.45Å; Q466-R470 PolarHBondContact O-N 3.15Å
467K87.8Confident78Confident113 Ų11382.3 Ų82.349%0.49143%0.428SS..Hα-helixtrans-64.4-45.8176.9-177.5-172.9173.3-168.80110.9N463 R464 R470 I471N463-K467 WeakPolarHBondContact O-CB 3.38Å; N463-K467 PolarHBondContact O-N 3.38Å; R464-K467 WeakPolarHBondContact O-CB 3.4Å; R464-K467 PolarHBondContact O-N 3.01Å; K467-R470 PolarHBondContact O-N 2.88Å; K467-R470 VanDerWaalsContact O-N 3.12Å; K467-I471 HydrophobicContact CD-CD1 4.32Å; K467-I471 HydrophobicContact CG-CD1 3.82Å; K467-I471 WeakPolarHBondContact O-CG1 3.44Å; K467-I471 PolarHBondContact O-N 3.31Å
468E88Confident75.4Confident52 Ų5288.4 Ų88.424%0.24347%0.465CS..Hα-helixtrans-55.8-50.4176.1179.2177.8-126.600112.2F432 Q436 R464 R470 I471 N472F432-E468 WeakPolarHBondContact CZ-OE2 3.18Å; Q436-E468 PolarHBondContact NE2-OE1 2.74Å; Q436-E468 PolarHBondContact OE1-OE2 3.1Å; R464-E468 PolarHBondContact O-N 3.21Å; E468-R470 PolarHBondContact O-N 3.23Å; E468-I471 PolarHBondContact O-N 2.99Å; E468-N472 PolarHBondContact O-N 2.75Å
469K80.4Confident73Confident140 Ų14088.6 Ų88.661%0.60948%0.481SS*.Hα-helixtrans-61.9-11.9176.5-74.4-166.2171.1-151.30115.5R465R465-K469 WeakPolarHBondContact O-CG 3.42Å; R465-K469 PolarHBondContact O-N 2.68Å
470R77.8Confident70.6Confident194 Ų19492 Ų9273%0.73250%0.504SS*.Hα-helixtrans-97.4-14.7170.5-65-170.7-147.4131.57.9113.9Q466 K467 E468Q466-R470 PolarHBondContact O-N 3.15Å; K467-R470 PolarHBondContact O-N 2.88Å; K467-R470 VanDerWaalsContact O-N 3.12Å; E468-R470 PolarHBondContact O-N 3.23Å
471I74.6Confident67.6Low118 Ų11897.9 Ų97.961%0.60554%0.537SS*.Hα-helixtrans-97.9-34.9-178.5-67.6172.7000110.6K467 E468K467-I471 HydrophobicContact CD-CD1 4.32Å; K467-I471 HydrophobicContact CG-CD1 3.82Å; K467-I471 WeakPolarHBondContact O-CG1 3.44Å; K467-I471 PolarHBondContact O-N 3.31Å; E468-I471 PolarHBondContact O-N 2.99Å
472N61.4Low65.1Low87 Ų87103 Ų10347%0.46557%0.571SS.*  trans-124.284.3178.4-161.45.3000111E468 S474 S475E468-N472 PolarHBondContact O-N 2.75Å; N472-S474 VanDerWaalsContact C-N 3.28Å; N472-S474 PolarHBondContact O-N 3.37Å; N472-S475 PolarHBondContact ND2-OG 3.21Å
473P52.3Low62.1Low95 Ų95106.4 Ų106.462%0.61760%0.595SS**G310 helixtrans-71.3-20.7-175.828.8-35.1000113.6S475P473-S475 VanDerWaalsContact C-N 3.31Å; P473-S475 PolarHBondContact O-N 3.4Å
474S41.5Very low59.3Low101 Ų101110.4 Ų110.471%0.70661%0.611SS**G310 helixtrans-75.8-12.9-171.4-48.40000114.6N472 S476N472-S474 VanDerWaalsContact C-N 3.28Å; N472-S474 PolarHBondContact O-N 3.37Å; S474-S476 PolarHBondContact O-N 3.07Å
475S51.2Low56.6Low90 Ų90114.4 Ų114.463%0.62964%0.641SS**G310 helixtrans-89.211.1-170.2-53.20000115.5N472 P473N472-S475 PolarHBondContact ND2-OG 3.21Å; P473-S475 VanDerWaalsContact C-N 3.31Å; P473-S475 PolarHBondContact O-N 3.4Å
476S50.6Low53.7Low89 Ų89115 Ų11562%0.62266%0.656SS**G310 helixtrans-129.331.1-174.467.70000115.8S474S474-S476 PolarHBondContact O-N 3.07Å
477S44Very low51.4Low107 Ų107116.2 Ų116.275%0.74867%0.672SS**  trans-120.334.8-178.9-162.50000114.9
478T40Very low48.8Very low127 Ų127117.1 Ų117.178%0.77969%0.687SS**  trans-14096.1164.448.90000110.3
479P44.6Very low46.2Very low118 Ų118121.1 Ų121.177%0.76672%0.715SS**PPolyproline II helixtrans-69.8132162.629.9-31.4000108.9L481P479-L481 PolarHBondContact O-N 3.25Å
480P43.9Very low44.1Very low125 Ų125118.9 Ų118.981%0.81271%0.713SS**PPolyproline II helixtrans-66.5128.5171.527.9-32.7000109.5
481L32.1Very low42Very low155 Ų155117.9 Ų117.981%0.81272%0.716SS**PPolyproline II helixtrans-63.6132177-171.774.4000109.7P479 S483P479-L481 PolarHBondContact O-N 3.25Å; L481-S483 PolarHBondContact O-N 2.99Å; L481-S483 VanDerWaalsContact O-N 3.1Å
482P41.3Very low40.1Very low111 Ų111121 Ų12172%0.72173%0.725SS**  trans-73104.9176.528.8-33.1000110.4Q484P482-Q484 PolarHBondContact O-N 2.97Å; P482-Q484 VanDerWaalsContact O-N 3.09Å
483S30Very low38.5Very low110 Ų110120.4 Ų120.477%0.76973%0.733SS**  trans-63.9106.1168.1-60.70000109.9L481 T485L481-S483 PolarHBondContact O-N 2.99Å; L481-S483 VanDerWaalsContact O-N 3.1Å; S483-T485 PolarHBondContact O-N 2.72Å
484Q33.9Very low37.3Very low169 Ų169125.1 Ų125.179%0.7975%0.746SS**  trans-68.8121.9170-83-158.89200110.6P482 S486P482-Q484 PolarHBondContact O-N 2.97Å; P482-Q484 VanDerWaalsContact O-N 3.09Å; Q484-S486 PolarHBondContact OE1-OG 3.16Å
485T35.4Very low36.7Very low130 Ų130125.8 Ų125.880%0.79875%0.749SS**  trans-119.185.9161.855.40000108.6S483S483-T485 PolarHBondContact O-N 2.72Å
486S30.1Very low35.8Very low83 Ų83132.5 Ų132.558%0.5876%0.763SS**PPolyproline II helixtrans-88.9126.3178.9-59.70000110.4Q484Q484-S486 PolarHBondContact OE1-OG 3.16Å
487P38.3Very low34.8Very low127 Ų127132.9 Ų132.983%0.82577%0.765SS**PPolyproline II helixtrans-75.2135175.830.6-33.3000110.7
488V32.5Very low34.8Very low131 Ų131133.4 Ų133.479%0.79477%0.766SS**PPolyproline II helixtrans-99.7127.9173.6172.40000109.6
489V33.6Very low34.4Very low137 Ų137134.7 Ų134.783%0.8376%0.763SS**  trans-117.9119.8157.9177.60000108
490T37.5Very low33.8Very low93 Ų93135.4 Ų135.457%0.57176%0.758SS**  trans-59.2147.3179.5-60.10000112.7
491H32.9Very low33.4Very low172 Ų172137 Ų13780%0.79676%0.757SS**  -160.5145.1126.5-85.4-50.7000112.9
492K34.1Very low33.3Very low184 Ų184133.8 Ų133.880%0.875%0.748SS**  trans-61173.9-168.8-54.6-76.5-173.1167.40114.9
493A28.8Very low32.8Very low75 Ų75133 Ų13362%0.6275%0.745SS**  cis170.8140.3-3500000107.5
494H27.4Very low33.1Very low194 Ų194136.2 Ų136.290%0.89875%0.748SS**  trans-150.8156.3161.6-95.2110.4000112.3
495C28.2Very low33Very low115 Ų115133 Ų13378%0.77775%0.745SS**  trans-82.4146.8-157.1-49.70000115
496Y32.4Very low33Very low231 Ų231134 Ų13491%0.90674%0.744SS**  -160.8153.5117.7-117.4-80.9000111.1
497S29.4Very low33.1Very low97 Ų97134.4 Ų134.468%0.67875%0.747SS**  trans-149.6145.3171.3-169.10000107
498P44.7Very low32.7Very low117 Ų117136.4 Ų136.476%0.7675%0.745SS**  -144.6136.894.935-18000116
499H30.7Very low32.5Very low155 Ų155136.5 Ų136.572%0.71875%0.745SS**  51.7121.3120.6-157.376.9000120.8
500M32.1Very low32.3Very low133 Ų133135.4 Ų135.466%0.65574%0.739SS**  175.5124.3122.1-89.9-99.96600113
501I35.6Very low32.1Very low157 Ų157137.5 Ų137.581%0.80575%0.752SS**  trans62.7158.2151.8-101.1158000118.9
502S31.2Very low31.9Very low88 Ų88134.6 Ų134.662%0.61575%0.751SS**  cis-172157.1-45.3-179.70000109.6
503S30.7Very low31.6Very low95 Ų95133.8 Ų133.866%0.66476%0.755SS**  trans75.5143.1156.6-59.20000120
504Q36.3Very low31.6Very low178 Ų178135 Ų13583%0.83276%0.759SS**  cis-167.7174.5-29.4-126.7174.485.900111.7
505S30.9Very low31.9Very low102 Ų102131.8 Ų131.871%0.71375%0.753SS**  trans79.7121.5-179.6-1500000115.4
506L34.7Very low32.1Very low151 Ų151132.9 Ų132.979%0.79176%0.756SS**  cis66.4136.444.6-81.871.2000113.6
507S34.1Very low32Very low90 Ų90125.7 Ų125.763%0.62975%0.753SS**  cis-149.4138.15-98.70000115.2
508Q28.2Very low32.1Very low169 Ų169125.7 Ų125.779%0.7976%0.758SS**  20.6129120.3-57.8-175.8-9.300123.1
509V28.6Very low31.4Very low133 Ų133125.4 Ų125.481%0.80676%0.759SS**  trans-152.6102.7138.3174.60000104.3
510T30.3Very low31.4Very low114 Ų114123.3 Ų123.370%0.69976%0.762SS**  53.4143.381.969.70000113.9
511T33Very low31.5Very low138 Ų138122.3 Ų122.385%0.84777%0.768SS**  cis-130171.11242.80000112.9
512S27.9Very low32.2Very low110 Ų110120.3 Ų120.377%0.76977%0.765SS**  trans-105.9159.417548.50000112.1
513L28.4Very low32.2Very low167 Ų167121.3 Ų121.387%0.87477%0.772SS**  -168.6155.3113-162.954.3000111.3
514S28.6Very low32.3Very low102 Ų102121.1 Ų121.171%0.71378%0.776SS**  trans-102.1171.9-178.1-54.60000112.5
515T34.3Very low32Very low125 Ų125118.3 Ų118.377%0.76778%0.776SS**  142.7129.3116.1-46.80000114.2
516T32.5Very low31.8Very low139 Ų139119.3 Ų119.385%0.85378%0.782SS**  trans-5.9141.2168.962.90000122.6
517G30.8Very low32.4Very low80 Ų80117.4 Ų117.483%0.82578%0.779SS**  trans-148.6154.2152.600000109.5
518A31.5Very low32.4Very low97 Ų97120.9 Ų120.980%0.80279%0.787SS**  trans-138.3168.4-16100000116.4
519S28.8Very low32.6Very low110 Ų110118.5 Ų118.577%0.76978%0.784SS**  trans86.8139.3146.670.30000122.7
520S30.5Very low33.4Very low111 Ų111117.6 Ų117.678%0.77678%0.781SS**  trans63107.4146.646.10000122.7
521S34.7Very low33.3Very low113 Ų113118.1 Ų118.179%0.7978%0.784SS**  trans-59.9171.1137.9-20.10000111.2
522P50.4Low33.2Very low115 Ų115116.5 Ų116.575%0.74778%0.778SS**  -155-172.851.444-21.9000118.7
523S30.3Very low33.3Very low109 Ų109117 Ų11776%0.76278%0.781SS**  trans83.5101.3145.7-64.90000122.9
524A32.8Very low33.3Very low91 Ų91113.2 Ų113.275%0.75278%0.775SS**  97.1153.6108.300000122.6
525S29.5Very low33.3Very low118 Ų118112.4 Ų112.483%0.82577%0.774SS**  trans83108.1158.6-58.10000120.2
526C27.3Very low33.3Very low123 Ų123114.7 Ų114.783%0.83178%0.778SS**  trans-77.2175.2156.2-40.60000109.5
527P48.3Very low33.1Very low112 Ų112114 Ų11473%0.72778%0.779SS**  -155.8177.968.344.3-23.8000118.4
528M32.8Very low33.1Very low162 Ų162115 Ų11580%0.79877%0.773SS**  trans74.6108158.3-63.5-52101.100122.2
529T32.9Very low33Very low120 Ų120116 Ų11674%0.73677%0.774SS**  trans-45.5167.9143.546.60000114.8
530P44.8Very low33Very low113 Ų113114.6 Ų114.673%0.73477%0.77SS**  cis-151.5-176.636.244.2-22.9000120.5
531V29Very low33.3Very low125 Ų125115.4 Ų115.476%0.75877%0.77SS**  trans77.982.714982.60000121.1
532S30.4Very low33.5Very low105 Ų105116 Ų11673%0.73477%0.771SS**  65.7119.9123.1-53.80000123.4
533S30Very low33.5Very low119 Ų119116 Ų11683%0.83277%0.771SS**  98.7145.6126.8-67.70000122.5
534A29.7Very low34.2Very low89 Ų89116.6 Ų116.674%0.73677%0.772SS**  trans74.868.7148.300000120.9
535A27.9Very low35.3Very low85 Ų85117.3 Ų117.370%0.70277%0.769SS**  63.1149.8109.300000123.9
536M34.6Very low35.2Very low173 Ų173120.7 Ų120.785%0.85277%0.772SS**  trans63.2110.714173.2-159.7164.600122.6
537S27.8Very low35.4Very low123 Ų123120.4 Ų120.486%0.8677%0.771SS**  trans-167.9151.4148.9-86.10000108.6
538S30.9Very low34.4Very low102 Ų102122 Ų12271%0.71378%0.779SS**  cis-174.6164.7-5.5500000110.8
539S28.5Very low34.1Very low117 Ų117118.1 Ų118.182%0.81877%0.772SS**  trans73.6146.6147.7-154.60000118.8
540A30.1Very low33.9Very low82 Ų82117.9 Ų117.968%0.67878%0.776SS**  cis-163.6172.1-25.200000112.3
541T36.2Very low33.9Very low128 Ų128118.3 Ų118.379%0.78578%0.778SS**  trans-25148.2168.655.40000119.6
542P39.7Very low34Very low125 Ų125116.5 Ų116.581%0.81278%0.777SS**  -147.316691.240.6-25.8000117.5
543P49.1Very low34.8Very low114 Ų114117 Ų11774%0.7478%0.778SS**  trans-116.9-167167.546-35.2000111.5
544P45.8Very low34.6Very low122 Ų122117.1 Ų117.179%0.79278%0.778SS**  cis-129.9-133.7-0.150.2-30.6000112.2
545P55.8Low34.5Very low106 Ų106117.6 Ų117.669%0.68878%0.776SS**  trans-124.3-178.6-149.345.1-27000117
546H28.4Very low34.5Very low190 Ų190121.9 Ų121.988%0.8879%0.787SS**  trans-154.4153.3152.9-91-63.3000114
547S30.6Very low34.1Very low117 Ų117116.5 Ų116.582%0.81878%0.775SS**  trans-157.7145.2170-71.30000110.5
548T26.9Very low34.1Very low144 Ų144117.8 Ų117.888%0.88378%0.778SS**  trans-174.9138.8-178.2-78.10000106.8
549A26.4Very low33.9Very low81 Ų81117.6 Ų117.667%0.66978%0.783SS**  cis-137.3154.7-5.700000107.1
550S29Very low33.8Very low115 Ų115115.2 Ų115.280%0.80478%0.776SS**  56.5145.162.2-71.60000114.9
551P44.5Very low33.7Very low122 Ų122119.7 Ų119.779%0.79279%0.788SS**  cis-133.3-172.14.944.8-28.3000115.1
552A31.7Very low33.3Very low87 Ų87117.7 Ų117.772%0.71978%0.784SS**  trans-97-169.3153.600000108.6
553P48Very low32.9Very low117 Ų117118.1 Ų118.176%0.7679%0.785SS**  cis-133.4-168.8-4.344.1-27.5000113.1
554S25.4Very low32Very low120 Ų120115.4 Ų115.484%0.83978%0.778SS**  -177159.6127.8-82.50000112.2
555S27.2Very low31.6Very low100 Ų100114 Ų11470%0.69976%0.763SS**  trans-130.7179175.364.90000110.1
556L27.4Very low30.9Very low175 Ų175111.7 Ų111.792%0.91675%0.748SS**  trans76.1142.1178-53.6140.9000115
557G27.5Very low31Very low59 Ų59110.7 Ų110.761%0.60875%0.745SS**  cis160.4171.3-10.200000114.1
558T27.9Very low31.1Very low151 Ų151112.3 Ų112.393%0.92674%0.742SS**  trans62156.5167.430.30000117.2
559A26.8Very low31.2Very low98 Ų98108.5 Ų108.581%0.8173%0.731SS**  cis-155169.3-12.700000107.3
560G26.5Very low31.3Very low66 Ų66110.8 Ų110.868%0.6874%0.737SS**  cis173.7179.8-2.400000110.6
561L28Very low31.3Very low177 Ų177109.7 Ų109.793%0.92773%0.729SS**  trans36142.2150.3-55.3170.5000120.8
562A27.3Very low30.8Very low85 Ų85110 Ų11070%0.70273%0.729SS**  cis-150.1156.319.900000111
563T29.8Very low30.6Very low134 Ų134109.1 Ų109.182%0.82273%0.728SS**  40.5128.685.2-39.50000113.8
564G32.2Very low30Very low58 Ų58111.1 Ų111.160%0.59873%0.729SS**  cis168.6-168.313.300000106.6T258T258-G564 CarbonylContact O-C 3.59Å; T258-G564 VanDerWaalsContact O-O 3.13Å
565N35.4Very low30.4Very low91 Ų91111.8 Ų111.849%0.48772%0.723SS.*  cis-168.5169.3-13.6-156.213.7000111.2L257 T258 S259L257-N565 VanDerWaalsContact O-CB 3.25Å; L257-N565 WeakPolarHBondContact O-CB 3.35Å; T258-N565 CarbonylContact C-O 3.57Å; T258-N565 VanDerWaalsContact CA-O 3.25Å; T258-N565 WeakPolarHBondContact CA-O 3.49Å; T258-N565 PolarHBondContact O-N 2.98Å; S259-N565 VanDerWaalsContact CB-O 3.23Å; S259-N565 WeakPolarHBondContact CB-O 3.4Å; S259-N565 PolarHBondContact N-O 2.99Å
566T41.5Very low30.4Very low59 Ų59115 Ų11536%0.36273%0.727SS.*  trans36.5135.1154.453.40000124.9L257 S259L257-T566 WeakPolarHBondContact CD2-OG1 3.48Å; S259-T566 WeakPolarHBondContact CB-O 3.45Å; S259-T566 VanDerWaalsContact OG-C 3.25Å; S259-T566 PolarHBondContact OG-O 3.38Å
567M30.3Very low30.5Very low168 Ų168109.9 Ų109.983%0.82871%0.71SS**  -165.1153.6117.2171164.7-92.500108.9
568M34Very low30.8Very low152 Ų152115.1 Ų115.175%0.74972%0.723SS**  160.1127.4-50.3179.5174-167.300108.9
569G28.1Very low31.3Very low64 Ų64115.8 Ų115.866%0.6672%0.719SS**  trans174.7121.1168.900000110.1
570V29.5Very low31.4Very low129 Ų129113.8 Ų113.878%0.78271%0.708SS**  85.2121.751.3169.70000111.3
571S29.3Very low31.7Very low91 Ų91117 Ų11764%0.63672%0.72SS**  cis-169.6167.6-2.7-106.70000115.8
572T32.4Very low31.8Very low130 Ų130115.4 Ų115.480%0.79871%0.712SS**  trans71.1140.2143.844.70000125.2
573G29.1Very low32.3Very low67 Ų67117.1 Ų117.169%0.69172%0.717SS**  trans12686.9160.300000113.8
574M33.6Very low32.4Very low160 Ų160118.7 Ų118.779%0.78872%0.719SS**  cis87.4130.245.8-67.5-157.2-72.500116.5
575N34Very low32.4Very low134 Ų134120.5 Ų120.572%0.71773%0.728SS**  trans79.8142.7169-65.7-58000119.3
576Q28.5Very low32.4Very low167 Ų167123.1 Ų123.178%0.7875%0.748SS**  cis-164.7148.8-23.8-138.8-17192.400114.2
577A29.2Very low32Very low67 Ų67127.4 Ų127.455%0.55477%0.765SS**  trans49.5131.3140.700000126
578L33.5Very low32Very low170 Ų170127.5 Ų127.589%0.8976%0.764SS**  trans61.4145.5139.9-57.6167.5000118.3
579I38.8Very low31.6Very low165 Ų165124.6 Ų124.685%0.84676%0.764SS**  cis-141.6160.328.1-65.2165.7000107.2
580G29.4Very low31.6Very low56 Ų56129.6 Ų129.658%0.57778%0.775SS**  cis135.4135.71.300000112.3
581S30.9Very low31.6Very low133 Ų133128.5 Ų128.593%0.9378%0.779SS**  trans77.6150177.180.60000119.3
582N31.8Very low31.6Very low143 Ų143127.8 Ų127.877%0.76578%0.779SS**  trans-147.8122.7-174.916622000108.6
583P36.5Very low31.6Very low122 Ų122127.2 Ų127.279%0.79278%0.78SS**  trans-107.396-176.936.6-28.4000113.5
584L31.5Very low31.5Very low166 Ų166127.9 Ų127.987%0.86979%0.787SS**  trans-146.167.6163.2-165.566.3000113.2
585A32.8Very low31.3Very low96 Ų96123.9 Ų123.979%0.79379%0.787SS**  trans-159.6113.9162.900000111.8
586T36.3Very low31Very low146 Ų146126.9 Ų126.990%0.89680%0.797SS**  trans-172.2151.3145.3-76.90000107.4
587M32.5Very low31.2Very low149 Ų149126.4 Ų126.473%0.73480%0.798SS**  trans-122.3165.7-162.5-55.2-178.5-68.200113.5
588Q29.4Very low31.9Very low171 Ų171128 Ų12880%0.79980%0.804SS**  trans73.8148.4141.7-81.6162.8-36.100121.4
589A26.2Very low31.7Very low90 Ų90127.1 Ų127.174%0.74480%0.798SS**  trans60.6103.7149.100000119.8
590L28.5Very low31.2Very low169 Ų169124.6 Ų124.689%0.88580%0.795SS**  -150.7146.8107.7-140.571.2000111.8
591A29.5Very low31.1Very low106 Ų106127.2 Ų127.288%0.87681%0.805SS**  trans-132.5101.816900000108.6
592A30.1Very low31.1Very low77 Ų77127.7 Ų127.764%0.63680%0.796SS**  trans-156.4157.9175.500000109.1
593S31.2Very low31.1Very low117 Ų117128.6 Ų128.682%0.81880%0.796SS**  trans5.7123.8166.4540000117.9
594G27Very low30.8Very low82 Ų82126.4 Ų126.485%0.84580%0.795SS**  cis96121.429.100000110.4
595G29.4Very low31.1Very low75 Ų75122.5 Ų122.577%0.77379%0.787SS**  trans139.2103.5179.300000114.9
596Q27.5Very low31.9Very low198 Ų198124.3 Ų124.393%0.92579%0.79SS**  trans53.6141.3131.5-138.4160.3-2.900123.3
597L33.1Very low31.7Very low156 Ų156120.9 Ų120.982%0.81778%0.784SS**  trans-57.2168161.8-63.3172.4000111.6
598P44.8Very low31.8Very low102 Ų102121.3 Ų121.366%0.66278%0.784SS**  cis-159.1169.538.943.6-20.3000122.2
599I28.3Very low32.2Very low150 Ų150119.2 Ų119.277%0.76978%0.775SS**  trans47.2157.7142.871.7-165.8000125
600S29.2Very low32.6Very low113 Ų113122.8 Ų122.879%0.7977%0.774SS**  trans82.4146.6158.8-61.30000118.5
601S26.9Very low33Very low111 Ų111121.2 Ų121.278%0.77677%0.766SS**  cis-160.4157.9-20.5-174.50000112.1
602L31.8Very low32.9Very low143 Ų143121.5 Ų121.575%0.74976%0.762SS**  trans-33.5140.9159.1174.770.2000116.7
603E31.5Very low33.1Very low162 Ų162120.9 Ų120.976%0.75776%0.763SS**  -176155.6120.8-164.546.9-96.100111.7
604G29.5Very low33.5Very low75 Ų75124.6 Ų124.677%0.77377%0.767SS**  trans146.337.6163.700000121.3
605A37.2Very low33.7Very low85 Ų85124.8 Ų124.870%0.70277%0.769SS**  trans-114.9160.9160.300000109.8
606P49.9Very low34Very low134 Ų134124.5 Ų124.587%0.8777%0.765SS**  -159.5165.695.239.7-20.3000118.6
607G33.1Very low34.4Very low73 Ų73123.9 Ų123.975%0.75376%0.762SS**  trans121.7141.2144.500000117.9
608H33.9Very low34.3Very low159 Ų159122.1 Ų122.174%0.73676%0.763SS**  cis-166.4152.9-11.6-162.6-150.6000112.8
609M36.7Very low33.8Very low127 Ų127123.9 Ų123.963%0.62677%0.772SS**  trans64.9145.1167.6-69.8159.8161.500117.3
610F35.8Very low34.8Very low165 Ų165122.2 Ų122.272%0.72477%0.77SS**  cis-169.1172.8-0.2-107.9-22.2000108.1
611L36.6Very low34.9Very low136 Ų136121.3 Ų121.371%0.71277%0.77SS**  cis-170.8155.4-14.4177.860.6000109.5
612S27.9Very low35Very low112 Ų112121 Ų12178%0.78377%0.767SS**  trans65141.9172.1-63.10000118.5
613G34.7Very low35.1Very low64 Ų64121.7 Ų121.766%0.6677%0.771SS**  cis136.5109.4-7.500000112.5
614H38.4Very low35.5Very low195 Ų195125 Ų12590%0.90378%0.777SS**  -179150.486.5-86.281.8000113.5
615G31.5Very low36.5Very low86 Ų86126.7 Ų126.789%0.88777%0.774SS**  trans71144.4159.100000118.5
616G34.7Very low36.2Very low68 Ų68127.4 Ų127.470%0.70177%0.774SS**  cis120.4120.83.900000111
617H35.9Very low35.4Very low186 Ų186128 Ų12886%0.86177%0.769SS**  cis-155.8174.729.3-83.885.2000114.6
618S32.2Very low35.5Very low119 Ų119133.5 Ų133.583%0.83277%0.772SS**  trans69.511515253.70000122.4
619V35.1Very low35.5Very low139 Ų139133.5 Ų133.584%0.84278%0.777SS**  trans-89.8-179.7154.9-115.30000109.3
620P49.2Very low35.1Very low114 Ų114134.6 Ų134.674%0.7479%0.786SS**  cis-148-177.330.444.7-23.9000119.3
621A31.2Very low35.2Very low95 Ų95137.7 Ų137.779%0.78579%0.792SS**  trans70.6154.6147.200000119.9
622S28.8Very low35.9Very low103 Ų103137.3 Ų137.372%0.7280%0.798SS**  cis-169.3-179.3-26.5-171.10000109.4
623L33.6Very low36.2Very low158 Ų158135.1 Ų135.183%0.82779%0.794SS**  trans74.2111.9160.5-55-176.6000120.6
624R38.7Very low36.2Very low233 Ų233139.7 Ų139.788%0.87980%0.802SS**  trans-68.4173.8138.3-87177.8170161.7-3.7109.9
625P50.4Low36Very low110 Ų110138 Ų13871%0.71480%0.799SS**  cis-139.2162.515.127.6-2.7000118.8
626S32.1Very low36.7Very low99 Ų99139.8 Ų139.869%0.69280%0.795SS**  33.5151.5128.7-43.20000125.5
627L33.7Very low36.6Very low147 Ų147145 Ų14577%0.7780%0.803SS**  trans116.3114.9142.4-55.7-173.6000119.5
628F33.7Very low36.3Very low188 Ų188142 Ų14283%0.82580%0.797SS**  trans31.9126.6142.2-64.8-89.8000124.1
629L33.7Very low36.1Very low160 Ų160142.8 Ų142.884%0.83880%0.798SS**  161.3117122.3-84.3160.7000108.4
630N30.2Very low35.8Very low150 Ų150139.6 Ų139.680%0.80279%0.793SS**  89.6148.473.8-153.60000114.6
631R36.8Very low34.9Very low229 Ų229139.2 Ų139.286%0.86479%0.792SS**  trans-61.6166.6-173.2-95.9172.7148.3-160.1-5.2114.6
632P51.8Low34.9Very low128 Ų128141.1 Ų141.183%0.83180%0.795SS**  cis-131.7-166.327.642.8-25.6000114.7
633G33.7Very low35.7Very low67 Ų67141.2 Ų141.269%0.69179%0.793SS**  cis145.6141.9-17.700000116.8
634L34.1Very low35.6Very low160 Ų160140.1 Ų140.184%0.83879%0.793SS**  trans72.2106.9167.7-63178.9000122.3
635L35.2Very low35.2Very low159 Ų159133.8 Ų133.883%0.83278%0.784SS**  trans65.8169142.2-55.5179.8000118.7
636P45.8Very low34.3Very low124 Ų124133.2 Ų133.281%0.80578%0.783SS**  cis-124.5-154.6-2.642.6-25.5000114.7
637M31.9Very low34.3Very low177 Ų177137.4 Ų137.487%0.87279%0.794SS**  trans-87.6171.6-178-57.2-168.672.300115
638V30.7Very low34.3Very low123 Ų123134.6 Ų134.675%0.74579%0.792SS**  174.7157.5104.579.20000115.4
639T27.6Very low34.3Very low136 Ų136134.5 Ų134.583%0.83480%0.796SS**  trans66.2149.4160.653.60000124
640G28.4Very low34.1Very low72 Ų72129.7 Ų129.774%0.74279%0.786SS**  trans113.8104.2163.600000114.9
641S30.4Very low34.1Very low105 Ų105131.1 Ų131.173%0.73479%0.792SS**  cis103.992.312.484.80000117.7
642T30.9Very low33.8Very low136 Ų136126.4 Ų126.483%0.83479%0.789SS**  trans67.3164.6154.450.30000118
643P47Very low32.9Very low104 Ų104126 Ų12668%0.67579%0.788SS**  cis-143.4173.619.143.5-24000120.6
644T30.8Very low32.7Very low136 Ų136126.2 Ų126.283%0.83479%0.791SS**  trans66.7154.4154.245.10000120
645S30Very low32.6Very low100 Ų100122.3 Ų122.370%0.69979%0.79SS**  cis-149.9167.717.1-160.80000115.3
646S31.1Very low33.1Very low98 Ų98120.8 Ų120.869%0.68579%0.789SS**  trans49.8109.8156.648.60000120.2
647M32.3Very low32.7Very low187 Ų187126.2 Ų126.292%0.92179%0.794SS**  66.8106.982.3-71.6-173.5169.300114.3
648A33.7Very low33.7Very low88 Ų88122.7 Ų122.773%0.72778%0.784SS**  90.4144.364.700000112.4
649M33.8Very low33.7Very low185 Ų185121.4 Ų121.491%0.91178%0.78SS**  cis-128-17618.1-64-72.3-170.100111.4
650G29.8Very low33.9Very low60 Ų60125.2 Ų125.262%0.61978%0.781SS**  cis137137.6-12.200000115.7
651L30.3Very low33.8Very low180 Ų180125.7 Ų125.794%0.94277%0.772SS**  trans75.4147.2169.9-44.6178.9000116.2
652V31.2Very low33.9Very low130 Ų130129 Ų12979%0.78878%0.776SS**  cis-149.5132.323.367.60000109.8
653S32.4Very low33.9Very low118 Ų118127.5 Ų127.583%0.82577%0.771SS**  48.9134.687.5-152.70000117.5
654G30.4Very low33.2Very low73 Ų73127.6 Ų127.675%0.75377%0.774SS**  cis165149.4-11.500000115.9
655G30.4Very low34.3Very low78 Ų78127.2 Ų127.280%0.80477%0.774SS**  trans82.4174165.900000118.3
656P46.3Very low34.5Very low126 Ų126128.4 Ų128.482%0.81878%0.782SS**  cis-136.6158.6-9.641.2-24000117.9
657R36.6Very low34.5Very low238 Ų238126.8 Ų126.890%0.89878%0.781SS**  trans12.9165.2139.3-92.8-172.6157.1-160-4.1122.8
658P53.4Low34.6Very low103 Ų103124.1 Ų124.167%0.66978%0.776SS**  -142.9-165-50.739.9-18.2000113.4
659S30.3Very low34.6Very low96 Ų96125.3 Ų125.367%0.67178%0.778SS**  152.8137.2127.3-70.20000118.5
660Y31.7Very low34.6Very low216 Ų216123.3 Ų123.385%0.84777%0.772SS**  trans47.8150.2135.8-75.8-103.3000122.5
661C28.2Very low34.8Very low83 Ų83127.4 Ų127.456%0.56178%0.778SS**  cis-166.5171.9-11.4-145.40000112
662Q31.2Very low34.9Very low175 Ų175127.2 Ų127.282%0.81878%0.775SS**  trans37159.8143.7-78168.69.400122.9
663S31Very low34.9Very low103 Ų103126.2 Ų126.272%0.7277%0.774SS**  cis-167.6169.7-13.649.90000111.1
664S31.8Very low36.1Very low107 Ų107126.1 Ų126.175%0.74877%0.77SS**  trans-85.1-172169.1-32.90000111.5
665P53.8Low36Very low128 Ų128129 Ų12983%0.83177%0.773SS**  cis-144.5-155.325.545.4-22.3000117.3
666S34.1Very low36.1Very low124 Ų124130 Ų13087%0.86777%0.768SS**  trans-88.2170.2-167.8-35.10000116.8
667G31.4Very low35.4Very low64 Ų64129.8 Ų129.866%0.6677%0.768SS**  trans158.296.4149.300000121.4
668T35.6Very low36.5Very low132 Ų132124.1 Ų124.181%0.8176%0.762SS**  trans50.2141.613455.10000125.6
669S33.5Very low35.3Very low112 Ų112128.4 Ų128.478%0.78377%0.773SS**  trans72.1154.6140.955.80000122
670N33.8Very low35.3Very low144 Ų144131.9 Ų131.977%0.7778%0.779SS**  cis-172.8174.1-28.7-165.69.3000109.8
671L32.8Very low35.4Very low145 Ų145126.2 Ų126.276%0.75977%0.771SS**  trans74.3123.2160.8-54.9167.3000120.4
672M33.4Very low35.7Very low176 Ų176127 Ų12787%0.86778%0.783SS**  169.2159.2107.9-87.9-172.17500113.5
673S32.1Very low35.8Very low110 Ų110124.2 Ų124.277%0.76978%0.783SS**  trans-164176.9178.1-60.70000107.5
674P56.6Low36.7Very low115 Ų115124.8 Ų124.875%0.74779%0.785SS**  cis-139-1486.344.3-24000113.7
675T28.7Very low36.6Very low133 Ų133125.4 Ų125.482%0.81679%0.788SS**  trans113.5155.8158.2-37.90000115.8
676S33Very low35.5Very low99 Ų99124.8 Ų124.869%0.69279%0.786SS**  trans-135.9139.9-153.9-340000114.9
677C30.2Very low35.5Very low123 Ų123124.3 Ų124.383%0.83178%0.783SS**  trans57175.8146.7-58.20000119.7
678P59.4Low36.5Very low119 Ų119127.4 Ų127.477%0.77379%0.791SS**  -131.9167.2-58.839.2-26000113.3
679E28.2Very low36.2Very low193 Ų193125.7 Ų125.790%0.90279%0.79SS**  trans-157.5166156.7-155.3146.491.800114.5
680E31.3Very low36.1Very low169 Ų169124.8 Ų124.879%0.7978%0.784SS**  trans-47.4176.9175.8-83.8-165.353.100119.2
681S32.6Very low35.9Very low96 Ų96126.9 Ų126.967%0.67179%0.787SS**  cis-163.8152.4-8.9-115.80000110.7
682A34.3Very low35.9Very low100 Ų100125.2 Ų125.283%0.82679%0.786SS**  trans171146.1143.600000113.3
683S34.6Very low35.7Very low117 Ų117122.4 Ų122.482%0.81878%0.784SS**  trans-109.1177.4173.3-320000110.4
684P50.3Low35.8Very low115 Ų115125.8 Ų125.875%0.74779%0.785SS**  cis-145.2166.947.640.1-18.9000118.9
685C29.2Very low34.5Very low120 Ų120124.3 Ų124.381%0.81178%0.777SS**  trans18139.9139.5-57.10000120.7
686S29.9Very low34.7Very low114 Ų114126.8 Ų126.880%0.79778%0.78SS**  cis-156.9168.416-83.80000113
687S35.5Very low34.5Very low114 Ų114126 Ų12680%0.79778%0.779SS**  trans-116.8164.6159-46.50000110
688P51.3Low35.1Very low129 Ų129126.1 Ų126.184%0.83878%0.781SS**  -142.8-172.880.942.4-24.9000112.2
689A29.9Very low34.5Very low96 Ų96125.8 Ų125.879%0.79378%0.779SS**  cis-149.6164.613.700000113.9
690S31.4Very low35.4Very low94 Ų94121.5 Ų121.566%0.65777%0.768SS**  trans-88.9160.2162.2-1590000108.6
691F28.5Very low36.5Very low188 Ų188119.4 Ų119.483%0.82577%0.769SS**  -162.7166.354.3-127.4-85000112.8
692C33.1Very low36.7Very low110 Ų110122.6 Ų122.674%0.74378%0.778SS**  trans-89.6158.8179.2-44.50000113.7
693S30.4Very low36.6Very low117 Ų117121.7 Ų121.782%0.81878%0.778SS**  -173.8145.2118-125.90000117.3
694F32.5Very low36.7Very low180 Ų180119.5 Ų119.579%0.78977%0.774SS**  trans57.2102.7139.6-139.1-105.4000123.8
695S30.8Very low36.2Very low84 Ų84118.9 Ų118.959%0.58778%0.779SS**  55.2149.2121.5-41.80000125.7
696E31.7Very low36.5Very low185 Ų185122.7 Ų122.786%0.86479%0.787SS**  trans88.9156.5142.2-157.814994.400120.4
697A30.2Very low37Very low83 Ų83122 Ų12269%0.68679%0.788SS**  trans68.5113.6169.900000119.4
698S41.3Very low37.2Very low125 Ų125129.1 Ų129.187%0.87481%0.809SS**  trans-68.2134.8142.6-50.40000109.2
699P48Very low36.5Very low112 Ų112129.1 Ų129.173%0.72781%0.807SS**  -148.9-164.9116.842.3-27000110.9
700P47.2Very low36.9Very low104 Ų104130.8 Ų130.868%0.67581%0.808SS**  cis-123.2168.3-16.938.8-25.7000113.9
701P52.9Low37.2Very low125 Ų125132.9 Ų132.981%0.81282%0.817SS**  trans-102.5117.8160.534.5-25.9000112.3
702L37.4Very low37.7Very low163 Ų163129.6 Ų129.685%0.85382%0.816SS**  trans-140.1141.3163.7-62.9171.7000105.7
703G33.5Very low38Very low80 Ų80130.9 Ų130.983%0.82582%0.821SS**  cis100.2111.923.200000109.1
704G35.2Very low38.5Very low72 Ų72131.8 Ų131.874%0.74282%0.821SS**  cis173.5172.3-5.700000111.3
705A39.8Very low38.9Very low102 Ų102128.4 Ų128.484%0.84382%0.823SS**  trans57.3125.7169.900000119.5
706M36.7Very low39.5Very low199 Ų199131.8 Ų131.898%0.9884%0.841SS**  -164.9176.4125.6-106.6175-159.300111.1
707A40.4Very low40.2Very low99 Ų99127.3 Ų127.382%0.81884%0.839SS**  trans-47.1161.8-17900000115
708E39.8Very low41.1Very low264 Ų264131.4 Ų131.4100%1.23485%0.853SS**  cis-133.9024.1-164177.5157.200113.4

Retrieved 708 of 708 residues in 190.8 ms (Link to these results)