A0A087YIV9_POEFO Loading...

Family with sequence similarity 53 member B

AlphaFold DB , UniProt , Accession A0A087YIV9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 438 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.7Very low49.3Very low220 Ų220161 Ų161100%1.08482%0.817SS**  0102.60-158.9165.590.100107.3
2V38.8Very low49.8Very low136 Ų136164.5 Ų164.582%0.82482%0.822SS**  trans-97.7117.6-177.8178.60000107.1I4V2-I4 HydrophobicContact CG1-CG1 4.46Å
3I54.4Low49.7Very low112 Ų112168.5 Ų168.557%0.57483%0.831SS**  trans-95.9115.1179.8-55.8174.1000107.4F5I3-F5 HydrophobicContact CB-CE2 4.46Å; I3-F5 HydrophobicContact CG2-CD2 3.99Å; I3-F5 HydrophobicContact CG2-CE2 3.61Å; I3-F5 HydrophobicContact CG2-CZ 3.99Å
4I55.7Low49Very low146 Ų146161.1 Ų161.175%0.74982%0.82SS**  trans-96.4118.2172.8-57.6176.3000107.4V2V2-I4 HydrophobicContact CG1-CG1 4.46Å
5F46.2Very low48.2Very low178 Ų178159.7 Ų159.778%0.78182%0.821SS**  trans-91.7114.1173.5-78.2-83.4000110.4I3 K7I3-F5 HydrophobicContact CB-CE2 4.46Å; I3-F5 HydrophobicContact CG2-CD2 3.99Å; I3-F5 HydrophobicContact CG2-CE2 3.61Å; I3-F5 HydrophobicContact CG2-CZ 3.99Å; F5-K7 PolarHBondContact O-N 3.24Å
6S50.2Low48Very low110 Ų110159 Ų15977%0.76982%0.82SS**  trans-76.4107.8170.9-41.60000109.5T8S6-T8 PolarHBondContact O-N 2.89Å
7K56.7Low47.5Very low206 Ų206158.8 Ų158.890%0.89682%0.821SS**  trans-76.6116.2170.4-78.6-175.1170.5176.50109.7F5F5-K7 PolarHBondContact O-N 3.24Å
8T52.1Low47.1Very low124 Ų124156.9 Ų156.976%0.76182%0.817SS**  trans-72.6125.1167.739.10000109.4S6 E10S6-T8 PolarHBondContact O-N 2.89Å; T8-E10 PolarHBondContact O-N 3.16Å
9L47.2Very low47Very low166 Ų166155.1 Ų155.187%0.86981%0.814SS**  trans-81.7111.3178.6-169.7139000109.8K11L9-K11 PolarHBondContact O-N 3.37Å
10E45.8Very low46.7Very low167 Ų167153.4 Ų153.478%0.7882%0.815SS**  trans-67.9120176.2-52.5167.2-165.600109.6T8 K12T8-E10 PolarHBondContact O-N 3.16Å; E10-K12 PolarHBondContact O-N 3.17Å
11K51Low46.3Very low206 Ų206155.1 Ų155.190%0.89682%0.816SS**  trans-71.4100.5179.9-158.3177.8-178.2-179.90109.3L9L9-K11 PolarHBondContact O-N 3.37Å
12K55.2Low46.1Very low203 Ų203149.9 Ų149.988%0.88380%0.801SS**  trans-65.3132.1173.1-83.3-176.2175.8177.90111.2E10E10-K12 PolarHBondContact O-N 3.17Å
13K48Very low46.6Very low217 Ų217149.2 Ų149.294%0.94380%0.799SS**  trans-80.2137.8174.7179.3-178.7178.6-169.60110.5
14G40.6Very low46Very low65 Ų65150.6 Ų150.667%0.6781%0.808SS**  trans129.3135175.100000109.6
15V36.4Very low45Very low139 Ų139155.3 Ų155.384%0.84282%0.816SS**  cis-155.6157.118.1157.70000106.4
16N45.3Very low44.6Very low149 Ų149154.6 Ų154.680%0.79782%0.815SS**  trans-41.7140.2179.6-54.8-69000115.1
17D39.5Very low44.1Very low156 Ų156155.4 Ų155.483%0.83482%0.818SS**  trans-150.7119.7143.7-113.8-25000113.2
18V40.9Very low43.2Very low125 Ų125151.4 Ų151.476%0.75882%0.816SS**  trans36.7116.9146.8-174.70000120.7
19T44.6Very low42.5Very low122 Ų122152.2 Ų152.275%0.74882%0.815SS**  trans-40.9130.3158.5-39.10000115
20S40.4Very low42.1Very low121 Ų121151.1 Ų151.185%0.84681%0.81SS**  trans-146.8125.8145.463.40000111.1
21K38.2Very low41.7Very low189 Ų189150.4 Ų150.482%0.82281%0.806SS**  trans-70.2140.2-168.6-61.7175.8173.7179.50112.4
22S41.6Very low41.3Very low110 Ų110146.2 Ų146.277%0.76979%0.792SS**  trans-70.9152.515453.30000110.1
23P49.1Very low40.2Very low122 Ų122144.9 Ų144.979%0.79279%0.791SS**  trans-125.1120.9131.832.9-26.6000112.2
24D41.5Very low39.9Very low142 Ų142140.4 Ų140.476%0.75979%0.787SS**  trans-46.2138152.1-161.72.9000111.8
25R35.4Very low40.4Very low245 Ų245149.5 Ų149.593%0.92580%0.801SS**  trans-165.1104156-109.5168.9-168.6-151.11.1110.9
26Q37.7Very low40.6Very low163 Ų163146.4 Ų146.476%0.76280%0.797SS**PPolyproline II helixtrans-50.7153.5159.9-93.7-161.1-4.300112.8
27P39.8Very low41Very low126 Ų126146 Ų14682%0.81880%0.8SS**PPolyproline II helixtrans-77.4125.8177.431.7-31.2000110.9
28S37.9Very low41.7Very low122 Ų122145.3 Ų145.385%0.85380%0.802SS**PPolyproline II helixtrans-93136.6168-48.50000110.1
29D37.5Very low42.2Very low141 Ų141146.5 Ų146.575%0.75480%0.803SS**PPolyproline II helixtrans-71.6158.8-175.4-152.5-3.3000113.4
30L38.2Very low42.3Very low143 Ų143149.1 Ų149.175%0.74981%0.805SS**  trans69.1122.5162.6-56.1171.2000119.7
31H36.8Very low42.5Very low152 Ų152149.6 Ų149.670%0.70481%0.808SS**  154.3103.296.2-159.2-89.4000112.3
32I42.4Very low42.7Very low119 Ų119146.1 Ų146.161%0.6181%0.806SS**  trans58.4126.7134.2-54.2-167000120.7
33M32.9Very low42.7Very low175 Ų175143.7 Ų143.786%0.86280%0.798SS**  trans78.1109.5151.1-73.8160.381.400119.8
34S41.2Very low42.5Very low123 Ų123145.1 Ų145.186%0.8681%0.805SS**  -157.5145.8109.864.10000111.1
35R51.2Low42.8Very low256 Ų256144.8 Ų144.897%0.96681%0.808SS**  trans-68.8132.7-173.1-64.9-178.1169.9-172.6-2.9111.3
36G40.6Very low43.2Very low73 Ų73141.6 Ų141.675%0.75380%0.803SS**  trans-151.1110.8166.700000109.9
37T53.3Low43.5Very low141 Ų141138.8 Ų138.887%0.86581%0.808SS**  trans-66.5118.9-179.542.20000112.6
38T54.3Low44Very low142 Ų142139.5 Ų139.587%0.87181%0.805SS**  trans-144.2133.3148.359.10000110.4
39L52.3Low44.5Very low149 Ų149144 Ų14478%0.7880%0.803SS**  trans-80.7138-165.9-67.7163.9000112.2
40F46.4Very low44.9Very low178 Ų178149.3 Ų149.378%0.78181%0.813SS**  trans50.5104.9155.2-55.7-67.8000120.2
41S44.8Very low45.5Very low130 Ų130150.8 Ų150.891%0.90982%0.821SS**  trans-84.8109.3145.2-630000109.1
42C41.2Very low46Very low117 Ų117149.7 Ų149.779%0.79182%0.82SS**  trans-104.8112.9154.1-66.80000104.7
43G42.2Very low46.1Very low58 Ų58153 Ų15360%0.59884%0.838SS**  84.378.357.800000107V45G43-V45 PolarHBondContact O-N 2.87Å
44T45Very low46.7Very low153 Ų153147.4 Ų147.494%0.93983%0.825SS**  trans-51.6106.2166.920.80000108.7
45V48.3Very low46.7Very low134 Ų134152.8 Ų152.881%0.81283%0.827SS**  trans-107.7134.6166.6-67.20000108.5G43G43-V45 PolarHBondContact O-N 2.87Å
46E42.6Very low46.1Very low179 Ų179146.2 Ų146.284%0.83682%0.82SS**  trans-49.7130.2-174.2-68156.1142.500112.4D48E46-D48 PolarHBondContact O-N 3.2Å; E46-D48 VanDerWaalsContact O-N 3.14Å
47A44.5Very low45.9Very low104 Ų104148.5 Ų148.586%0.8682%0.823SS**  trans-85.261.5168.600000110
48D50.8Low45.4Very low141 Ų141147 Ų14775%0.75483%0.825SS**  trans-119.4103.9163.3-88.5-27.1000107.2E46E46-D48 PolarHBondContact O-N 3.2Å; E46-D48 VanDerWaalsContact O-N 3.14Å
49R47.4Very low44.6Very low215 Ų215147.4 Ų147.481%0.81182%0.82SS**  trans161.269.7157.7-86.5166.998.1-88.3-15.6110.6
50W47.3Very low44.1Very low253 Ų253149.6 Ų149.696%0.95883%0.826SS**  trans-113.859.1159.5-87.585.3000109.7
51L51.1Low43.5Very low175 Ų175150.5 Ų150.592%0.91683%0.833SS**  trans-150.962.8169.4-74.3178.8000109.6
52D46.2Very low42.9Very low128 Ų128153.9 Ų153.968%0.68483%0.832SS**  trans-165.163.2157.4-145.87.7000114.2
53L44.8Very low42.9Very low188 Ų188152.4 Ų152.498%0.98483%0.827SS**  trans-136.258.3162.2-156.673.1000110.3
54G45.5Very low42.7Very low58 Ų58155.4 Ų155.460%0.59883%0.834SS**  trans-152.655.417900000111.1
55R41.7Very low42.7Very low237 Ų237155 Ų15589%0.89483%0.827SS**  trans-170.384.7168.1-101.3156.2-143-86.66.9110.7
56S38.2Very low42.2Very low118 Ų118154.2 Ų154.283%0.82583%0.827SS**  trans-158.583.9157.1179.40000109.1
57C37.2Very low41.9Very low121 Ų121149.3 Ų149.382%0.81881%0.812SS**  trans-160.599.2156.2-930000106I59C57-I59 PolarHBondContact O-N 2.75Å
58A42Very low41.9Very low110 Ų110152.5 Ų152.591%0.90981%0.814SS**  trans-75.2109171.400000108.6
59I36.7Very low41.7Very low149 Ų149153.7 Ų153.776%0.76482%0.815SS**  trans-128.1123.1166-74.2174.1000107.1C57 Q61C57-I59 PolarHBondContact O-N 2.75Å; I59-Q61 PolarHBondContact O-N 3.15Å
60Q41.8Very low41.7Very low195 Ų195148.9 Ų148.991%0.91182%0.815SS**  trans-48.7123.1178.3-83.6173.4-30.900111.6
61Q34.2Very low41.7Very low197 Ų197143 Ų14392%0.92180%0.801SS**  trans-91.4115.5165.1-73.1-178.1-12.800109.1I59I59-Q61 PolarHBondContact O-N 3.15Å
62K33.4Very low41.5Very low202 Ų202146 Ų14688%0.87880%0.8SS**  trans-96.4127.4157.6-175.9163.7179.5170.50106.9
63A40.2Very low41.2Very low85 Ų85147.1 Ų147.170%0.70281%0.806SS**  trans-63.3131.4-178.400000111.8
64T38.1Very low41Very low121 Ų121144 Ų14474%0.74280%0.795SS**  trans-154.995.2151.5-380000109.9
65D45.2Very low41.1Very low146 Ų146147.6 Ų147.678%0.78181%0.805SS**  trans-40.5121.1148.928.1-53.8000112.2
66S37.5Very low41.2Very low116 Ų116141.9 Ų141.981%0.81180%0.799SS**  trans-169136.8149.741.20000112.7
67S37Very low41.2Very low77 Ų77144.6 Ų144.654%0.53880%0.798SS.*  trans-71.6141.1-166.4-1700000114E69S67-E69 PolarHBondContact O-N 2.99Å; S67-E69 VanDerWaalsContact O-N 3.12Å; S67-E69 VanDerWaalsContact OG-CG 3.3Å; S67-E69 WeakPolarHBondContact OG-CG 3.41Å; S67-E69 PolarHBondContact OG-OE1 2.95Å
68L43.4Very low41.5Very low171 Ų171144.3 Ų144.390%0.89580%0.795SS**THydrogen-bonded Turntrans-84.835.1-175.3-113166.1000113.3
69E47.9Very low41.1Very low166 Ų166143.1 Ų143.178%0.77679%0.793SS**THydrogen-bonded Turntrans-109.8-9.7-169.8-60.8172.7-170.800113.6S67S67-E69 PolarHBondContact O-N 2.99Å; S67-E69 VanDerWaalsContact O-N 3.12Å; S67-E69 VanDerWaalsContact OG-CG 3.3Å; S67-E69 WeakPolarHBondContact OG-CG 3.41Å; S67-E69 PolarHBondContact OG-OE1 2.95Å
70S45.8Very low40.8Very low114 Ų114139.4 Ų139.480%0.79779%0.792SS**  trans-100.418.4-168.6-170.80000115.1
71L48.7Very low40.3Very low130 Ų130138.3 Ų138.368%0.68179%0.792SS**SBendtrans-97.2-7.4-171.5-148.188.7000115.2
72W45.6Very low40.3Very low236 Ų236135.8 Ų135.889%0.89478%0.779SS**SBendtrans-121.56.4-168.1-61.8109.6000116
73D41.2Very low40.3Very low152 Ų152136.8 Ų136.881%0.81378%0.778SS**  trans-110.5118.5173.8-158.213.1000109.6
74V39.7Very low40Very low124 Ų124136.9 Ų136.975%0.75278%0.779SS**  trans146.799.2155.1170.80000109.4
75V48Very low39.9Very low133 Ų133140.5 Ų140.581%0.80678%0.784SS**PPolyproline II helixtrans-81.3132.1160.2169.90000108.1
76P44.3Very low39.3Very low117 Ų117141 Ų14176%0.7678%0.782SS**PPolyproline II helixtrans-100.8122.8168.627.1-14.7000112.1
77E37.5Very low39.5Very low174 Ų174140.3 Ų140.381%0.81377%0.774SS**PPolyproline II helixtrans-66.7161.8163-86.5-75.7116.900112.2
78P43.1Very low39.8Very low116 Ų116140 Ų14075%0.75378%0.783SS**PPolyproline II helixtrans-95.6129.9-168.834.2-27.4000113.5
79G32.9Very low40.1Very low84 Ų84137.5 Ų137.587%0.86678%0.78SS**  trans150.8128.8153.700000116.2
80G30.4Very low40.1Very low72 Ų72135.2 Ų135.274%0.74278%0.777SS**  trans118109.3154.200000116.3
81L31.9Very low40.3Very low172 Ų172135.4 Ų135.490%0.90177%0.774SS**  trans23.6137.7138.6-8973.5000118.2
82H33.8Very low40.4Very low144 Ų144133 Ų13367%0.66777%0.773SS**  cis149.4110.526.8162.5-99.9000106.1
83W34.7Very low40.8Very low223 Ų223128.1 Ų128.185%0.84576%0.763SS**  trans56.4153.7169.1-39.9107000119
84A32.4Very low41.4Very low87 Ų87124.4 Ų124.472%0.71975%0.746SS**  cis-159.7156.318.700000110.9
85K36.9Very low42.1Very low197 Ų197121.3 Ų121.386%0.85773%0.73SS**  trans37.3121.4157.3-88.9-179.3166.1-179.30118.5
86E32.9Very low42.4Very low157 Ų157120.6 Ų120.673%0.73472%0.721SS**  cis-171.4132.645.4-120-72.716700107.9
87P42Very low43Very low101 Ų101120.5 Ų120.566%0.65671%0.713SS**  trans-106112175.932.9-23.9000113.7
88G43.4Very low43.7Very low70 Ų70121.2 Ų121.272%0.72271%0.708SS**  trans-71136.2152.600000111.1
89S48.5Very low44Very low118 Ų118122.4 Ų122.483%0.82571%0.708SS**SBendtrans64.767.4164.1-67.30000118.3
90T48.3Very low44.8Very low118 Ų118125 Ų12572%0.72470%0.701SS**  trans-161.872.4146.234.70000110.8
91T50.8Low45.7Very low118 Ų118127.1 Ų127.172%0.72470%0.7SS**  trans-119.512.9179.748.20000115.3
92A50.4Low46.3Very low81 Ų81127 Ų12767%0.66970%0.7SS**SBendtrans-84.1-21179.500000114.5
93I54.3Low46.7Very low132 Ų132123.7 Ų123.768%0.67770%0.704SS**SBendtrans-109-19.2-169.9-56.1176000112.6
94T53.8Low47.1Very low74 Ų74120.8 Ų120.845%0.45471%0.705SS.*SBendtrans-89.6-10.3-178.456.80000114.3
95S53.6Low47.8Very low60 Ų60123.1 Ų123.142%0.4271%0.711SS.*Hα-helixtrans-74.3-41.3171.152.40000112I97 R98S95-I97 PolarHBondContact O-N 2.9Å; S95-R98 PolarHBondContact O-N 3.25Å
96L53.5Low47.8Very low118 Ų118117.1 Ų117.162%0.61870%0.704SS**Hα-helixtrans-63.2-26-178.5-70.5167000113.7
97I57.7Low48.1Very low114 Ų114118.3 Ų118.359%0.58571%0.712SS**Hα-helixtrans-85.9-25.6-177.7-57173.7000111.4S95S95-I97 PolarHBondContact O-N 2.9Å
98R52.7Low47.9Very low190 Ų190122 Ų12272%0.71773%0.725SS**Hα-helixtrans-76.1-25178-70.9-173.3-164.8164.15.2113.4S95 L100 T101S95-R98 PolarHBondContact O-N 3.25Å; R98-L100 PolarHBondContact O-N 3.46Å; R98-T101 PolarHBondContact O-OG1 3.44Å
99D48.6Very low47.6Very low141 Ų141122.1 Ų122.175%0.75473%0.726SS**THydrogen-bonded Turntrans-78.9-5.4178.8-64.5-17.2000112.9
100L50.8Low47.1Very low138 Ų138122 Ų12272%0.72372%0.72SS**THydrogen-bonded Turntrans-99.5-3179.5-69.5167.5000114R98 L102R98-L100 PolarHBondContact O-N 3.46Å; L100-L102 PolarHBondContact O-N 2.95Å
101T48.4Very low46.6Very low117 Ų117125 Ų12572%0.71873%0.725SS**  trans-78.684.8174.112.60000111R98 G103R98-T101 PolarHBondContact O-OG1 3.44Å; T101-G103 PolarHBondContact O-N 3.38Å; T101-G103 VanDerWaalsContact O-N 3.07Å
102L45.5Very low45.9Very low170 Ų170124 Ų12489%0.8973%0.729SS**  trans-64.1102.2167.2-74.7161.9000109.6L100 N104L100-L102 PolarHBondContact O-N 2.95Å; L102-N104 PolarHBondContact O-N 3.19Å
103G40.6Very low45.6Very low73 Ų73126.6 Ų126.675%0.75374%0.737SS**  trans-67.496.4168.300000110.7T101 T105T101-G103 PolarHBondContact O-N 3.38Å; T101-G103 VanDerWaalsContact O-N 3.07Å; G103-T105 PolarHBondContact O-N 3.38Å
104N44.4Very low45.3Very low163 Ų163126.1 Ų126.187%0.87274%0.742SS**  trans-85.883.8164.9-171.466.4000108.6L102L102-N104 PolarHBondContact O-N 3.19Å
105T46.6Very low44.4Very low136 Ų136126.6 Ų126.683%0.83475%0.754SS**  trans-126.1121.5169.3-400000108.6G103G103-T105 PolarHBondContact O-N 3.38Å
106G36.9Very low43.5Very low70 Ų70132.2 Ų132.272%0.72277%0.773SS**  trans-63.4159.8-163.800000115.7
107M39.9Very low42.6Very low182 Ų182131.4 Ų131.490%0.89777%0.774SS**  trans-43.9136163.5-55.3-165.977.500111.8
108I38.3Very low41.5Very low180 Ų180132.9 Ų132.992%0.92378%0.778SS**  trans177.3130.9130.7-84.7147.8000106.1
109G36.8Very low40.6Very low72 Ų72131.9 Ų131.974%0.74278%0.779SS**  trans129.882163.400000114.4
110T38Very low40.2Very low115 Ų115131.7 Ų131.771%0.70678%0.783SS**  trans-61.6160.8163.442.60000111.8
111H37.3Very low39.6Very low180 Ų180130.4 Ų130.483%0.83378%0.783SS**  trans90.7102.1166.5-50.4-79.4000117.4
112A36.8Very low39Very low98 Ų98129.9 Ų129.981%0.8179%0.79SS**  173.1119.1110.500000110.6
113T44.2Very low38.7Very low136 Ų136128.1 Ų128.183%0.83479%0.787SS**  trans-75.3141.7159.2-42.20000107.9
114P47.8Very low39Very low121 Ų121133.5 Ų133.579%0.78679%0.793SS**  -137.4143.2113.231.3-16.6000112.9
115A35.3Very low39.1Very low84 Ų84129.4 Ų129.469%0.69478%0.781SS**  trans-67.2136.5167.100000110.3
116Q33.6Very low38.9Very low178 Ų178129.1 Ų129.183%0.83278%0.782SS**  trans-171.6118143.4-109170.246.600112.3
117T33.6Very low39.4Very low102 Ų102130.2 Ų130.263%0.62678%0.784SS**  trans57.4119.7131.849.60000122.3
118H35.2Very low40.2Very low144 Ų144125.6 Ų125.667%0.66777%0.774SS**  91.2116.6124.5-78.6-54.8000121.3
119F34Very low41.1Very low170 Ų170122.8 Ų122.875%0.74677%0.768SS**  trans79.9131.5146.6-57.5-66.1000122.2
120T39.6Very low42.1Very low137 Ų137125.3 Ų125.384%0.8477%0.771SS**  trans96.8154.5153.679.70000118.1
121P39.7Very low43.1Very low110 Ų110124.3 Ų124.371%0.71477%0.769SS**  -90.8139.1-122.928.5-8.8000112.7T123P121-T123 VanDerWaalsContact C-N 3.35Å; P121-T123 PolarHBondContact O-N 2.89Å
122A35.3Very low44.3Very low106 Ų106125.9 Ų125.988%0.87677%0.774SS**  trans-71.891.5174.400000110.6Q124A122-Q124 PolarHBondContact O-N 2.93Å
123T38.3Very low45.5Very low133 Ų133131.8 Ų131.882%0.81678%0.775SS**  trans-48.6114151.2-58.80000107.8P121 A125P121-T123 VanDerWaalsContact C-N 3.35Å; P121-T123 PolarHBondContact O-N 2.89Å; T123-A125 PolarHBondContact O-N 3.09Å
124Q47.9Very low46.1Very low187 Ų187134.2 Ų134.287%0.87478%0.777SS**  trans-55.7118.3-178.1-160.8171.125.500109.7A122A122-Q124 PolarHBondContact O-N 2.93Å
125A45.3Very low46Very low77 Ų77135 Ų13564%0.63678%0.783SS**  trans-54.6147172.500000110.5T123 A127T123-A125 PolarHBondContact O-N 3.09Å; A125-A127 PolarHBondContact O-N 3.36Å
126P43.5Very low46.6Very low130 Ų130142 Ų14284%0.84479%0.792SS**  trans-65110178.226.4-30.6000108.5A128P126-A128 PolarHBondContact O-N 3.47Å
127A47.8Very low47.4Very low93 Ų93139 Ų13977%0.76979%0.79SS**  trans-52.1135.9173.900000109.7A125A125-A127 PolarHBondContact O-N 3.36Å
128A55.8Low47.9Very low84 Ų84141.8 Ų141.869%0.69480%0.801SS**  trans-45.9144.717200000111P126P126-A128 PolarHBondContact O-N 3.47Å
129P58.3Low48.5Very low121 Ų121140.5 Ų140.579%0.78681%0.808SS**PPolyproline II helixtrans-55133-179.622.5-32.6000109.7S131P129-S131 PolarHBondContact O-N 2.79Å; P129-S131 VanDerWaalsContact O-N 3.07Å
130P56.3Low48.9Very low126 Ų126142.1 Ų142.182%0.81882%0.815SS**PPolyproline II helixtrans-59.9121.1-176.122.5-31.7000109.7K132P130-K132 PolarHBondContact O-N 3.07Å
131S60.5Low49.1Very low94 Ų94140.8 Ų140.866%0.65781%0.811SS**PPolyproline II helixtrans-50.9130.2170.2167.30000109.5P129 R133P129-S131 PolarHBondContact O-N 2.79Å; P129-S131 VanDerWaalsContact O-N 3.07Å; S131-R133 PolarHBondContact O-N 3.02Å
132K62.4Low49.7Very low213 Ų213142.6 Ų142.693%0.92682%0.815SS**  trans-47.195.9179-73179177.9175.20110.4P130P130-K132 PolarHBondContact O-N 3.07Å
133R61.4Low50.8Low221 Ų221145.6 Ų145.683%0.83481%0.811SS**  trans-111.9131.5171.3-72.6-174175.7-145.1-0.6108.9S131 C135S131-R133 PolarHBondContact O-N 3.02Å; R133-C135 PolarHBondContact O-N 3Å
134Q57.5Low51.2Low188 Ų188149.1 Ų149.188%0.87982%0.815SS**  trans-41.7130.6178.6-71.4165.7-46.700112R136Q134-R136 PolarHBondContact O-N 3Å
135C44.7Very low51.5Low136 Ų136145.9 Ų145.992%0.91981%0.813SS**  trans-59.399.5170.6-59.70000109.8R133R133-C135 PolarHBondContact O-N 3Å
136R48.1Very low51.8Low233 Ų233144.5 Ų144.588%0.87981%0.806SS**  trans-90.5114.9153.4-78.4-168.1149.6156.5-3.4106.6Q134 L138Q134-R136 PolarHBondContact O-N 3Å; R136-L138 PolarHBondContact O-N 3.05Å
137S49.3Very low52.1Low114 Ų114148 Ų14880%0.79781%0.809SS**  trans-54.9119.4178.645.80000110.7S139S137-S139 PolarHBondContact O-N 3.33Å
138L45.7Very low51.9Low161 Ų161154.7 Ų154.784%0.84381%0.814SS**  trans-72.6115.3161.3-68.2169.8000107.3R136 F140R136-L138 PolarHBondContact O-N 3.05Å; L138-F140 PolarHBondContact O-N 3.07Å
139S48.2Very low51.5Low116 Ų116156 Ų15681%0.81182%0.818SS**PPolyproline II helixtrans-66.3121.6165.7-67.60000108.5S137S137-S139 PolarHBondContact O-N 3.33Å
140F41.4Very low50.9Low204 Ų204154.7 Ų154.790%0.89581%0.812SS**PPolyproline II helixtrans-73.1135.6169.7-111.2-99.3000109.4L138L138-F140 PolarHBondContact O-N 3.07Å
141S43.8Very low50.5Low109 Ų109160.2 Ų160.276%0.76282%0.816SS**PPolyproline II helixtrans-65.7139.6172.3-60.80000111.3E143S141-E143 PolarHBondContact O-N 3.16Å
142D52.3Low50.4Low149 Ų149165.6 Ų165.680%0.79782%0.822SS**  trans-74102.1175-177.724.2000109.9
143E57.7Low49.7Very low169 Ų169161.2 Ų161.279%0.7982%0.815SS**  trans-151.243.1172.7-140.4173.3-173.200112.7S141S141-E143 PolarHBondContact O-N 3.16Å
144F48.2Very low49.1Very low206 Ų206159.7 Ų159.790%0.90482%0.818SS**  trans-152.367.5158.9-85-74.4000109.6G146F144-G146 VanDerWaalsContact C-N 3.31Å; F144-G146 PolarHBondContact O-N 2.74Å
145S53.1Low48.5Very low119 Ų119153.6 Ų153.683%0.83281%0.806SS**  trans-74.782.9167.963.40000109.9
146G52.9Low48.9Very low48 Ų48151.3 Ų151.350%0.49579%0.791SS.*SBendtrans172.9109.6173.300000111F144F144-G146 VanDerWaalsContact C-N 3.31Å; F144-G146 PolarHBondContact O-N 2.74Å
147F47.9Very low49.6Very low204 Ų204152 Ų15290%0.89579%0.794SS**  trans76.371174.3-48.2-77.8000116.6
148R45.5Very low50.1Low234 Ų234151.5 Ų151.588%0.88379%0.786SS**  trans-136.2104.8148.2-70.9-61.4-134-73.4-4.2109.6S150R148-S150 PolarHBondContact O-N 3.04Å; R148-S150 VanDerWaalsContact O-N 3.16Å
149S45.8Very low50.3Low110 Ų110155 Ų15577%0.76979%0.788SS**  trans-51.7118.4162.7-41.60000107.9W151S149-W151 PolarHBondContact O-N 3.02Å
150S46Very low51Low94 Ų94155.6 Ų155.666%0.65779%0.787SS**  trans-63.6100.9178.959.80000108.9R148 R152R148-S150 PolarHBondContact O-N 3.04Å; R148-S150 VanDerWaalsContact O-N 3.16Å; S150-R152 VanDerWaalsContact C-N 3.35Å; S150-R152 PolarHBondContact O-N 3.36Å
151W47.3Very low51.6Low242 Ų242151.5 Ų151.592%0.91778%0.784SS**  trans-62.4101.7164.9-95.786.4000107.5S149S149-W151 PolarHBondContact O-N 3.02Å
152R59.2Low52.1Low207 Ų207152.8 Ų152.878%0.78179%0.786SS**  trans-96.2118.7164-65.9-162.6-177.3-102.72.7106.7S150 Q154S150-R152 VanDerWaalsContact C-N 3.35Å; S150-R152 PolarHBondContact O-N 3.36Å; R152-Q154 PolarHBondContact O-N 2.87Å
153P48.3Very low52Low121 Ų121154.1 Ų154.179%0.78679%0.788SS**  trans-62.3111.616325-28.4000106.8G155P153-G155 PolarHBondContact O-N 3.22Å; P153-G155 VanDerWaalsContact O-N 3.08Å
154Q48.6Very low51.6Low189 Ų189155 Ų15588%0.88379%0.789SS**  trans-58114.4170.5-129.9-105.6-4800105.9R152 S156R152-Q154 PolarHBondContact O-N 2.87Å; Q154-S156 PolarHBondContact O-N 3.19Å
155G45.5Very low51.8Low61 Ų61156 Ų15663%0.62979%0.787SS**  trans-53.7105-172.900000111.1P153 R157P153-G155 PolarHBondContact O-N 3.22Å; P153-G155 VanDerWaalsContact O-N 3.08Å; G155-R157 PolarHBondContact O-N 2.92Å
156S51.4Low51.6Low88 Ų88159.8 Ų159.862%0.61578%0.783SS**  trans-58.8104.7167.6172.70000108Q154 V158Q154-S156 PolarHBondContact O-N 3.19Å; S156-V158 PolarHBondContact O-N 2.89Å; S156-V158 VanDerWaalsContact OG-CG2 3.28Å; S156-V158 WeakPolarHBondContact OG-CG2 3.28Å
157R62.8Low51.4Low246 Ų246168.1 Ų168.193%0.92880%0.801SS**  trans-74.748.8177.6-92.1168.358.3156.2-2.6111.7G155G155-R157 PolarHBondContact O-N 2.92Å
158V61.2Low51.3Low104 Ų104165.9 Ų165.963%0.6379%0.793SS**  trans-102.2-2.3-176.9-179.60000113.3S156S156-V158 PolarHBondContact O-N 2.89Å; S156-V158 VanDerWaalsContact OG-CG2 3.28Å; S156-V158 WeakPolarHBondContact OG-CG2 3.28Å
159W50Low51.4Low236 Ų236160.7 Ų160.789%0.89479%0.793SS**  trans-116.289.2178.2-5399.4000111.2
160T61.8Low51.2Low128 Ų128159.1 Ų159.179%0.78579%0.794SS**PPolyproline II helixtrans-86.8118.215351.80000107.4V162T160-V162 PolarHBondContact O-N 2.95Å; T160-V162 VanDerWaalsContact O-N 3.16Å
161S53.9Low51.2Low118 Ų118158.6 Ų158.683%0.82580%0.804SS**PPolyproline II helixtrans-61.1118171.954.90000109.1E163S161-E163 PolarHBondContact O-N 2.86Å
162V55.4Low50.9Low135 Ų135152.8 Ų152.882%0.81880%0.8SS**PPolyproline II helixtrans-65.2116.8171.5177.50000107.6T160 K164T160-V162 PolarHBondContact O-N 2.95Å; T160-V162 VanDerWaalsContact O-N 3.16Å; V162-K164 PolarHBondContact O-N 3.07Å
163E50Low50.3Low178 Ų178149.7 Ų149.783%0.83280%0.803SS**  trans-63.5106.3173.5-174.3175.8176.300108.7S161 R165S161-E163 PolarHBondContact O-N 2.86Å; E163-R165 VanDerWaalsContact C-N 3.3Å; E163-R165 PolarHBondContact O-N 3.08Å
164K48.4Very low50Low187 Ų187155.8 Ų155.881%0.81381%0.811SS**  trans-66.390.9172.4-173.2-177.1179.7176.50108V162 R166V162-K164 PolarHBondContact O-N 3.07Å; K164-R166 PolarHBondContact O-N 2.99Å
165R52.6Low49.6Very low226 Ų226150.4 Ų150.485%0.85381%0.806SS**  trans-59.1106170.1-147-170.6-63.5-176.13107.2E163 Y167E163-R165 VanDerWaalsContact C-N 3.3Å; E163-R165 PolarHBondContact O-N 3.08Å; R165-Y167 PolarHBondContact O-N 3.2Å
166R49.2Very low49.1Very low199 Ų199151.1 Ų151.175%0.75181%0.813SS**  trans-64.3124.5170.4-89.9-177.2-85.5-162.7-3.9107.5K164 H168K164-R166 PolarHBondContact O-N 2.99Å; R166-H168 PolarHBondContact O-N 3.35Å; R166-H168 VanDerWaalsContact O-N 3.15Å
167Y48.6Very low48.5Very low223 Ų223152 Ų15288%0.87583%0.826SS**  trans-51.8114.1162.1-70.5-91.9000109.2R165R165-Y167 PolarHBondContact O-N 3.2Å
168H45.6Very low47.3Very low157 Ų157142.2 Ų142.273%0.72780%0.802SS**  trans-124.297.5158.1-72.5-58.3000107.7R166R166-H168 PolarHBondContact O-N 3.35Å; R166-H168 VanDerWaalsContact O-N 3.15Å
169S46.8Very low46.5Very low125 Ų125145.7 Ų145.787%0.87481%0.811SS**  trans-58.3141.1155.7-55.10000109.8
170G42.8Very low46.2Very low78 Ų78143.7 Ų143.780%0.80481%0.809SS**  trans14688.3176.100000108.1
171G45.6Very low45.7Very low83 Ų83143.2 Ų143.286%0.85681%0.808SS**  85.38655.100000108.6
172S41.6Very low45.3Very low120 Ų120143.5 Ų143.584%0.83981%0.807SS**  trans-156.8102.3155.9-175.90000110.3
173V46Very low44.6Very low141 Ų141146.5 Ų146.586%0.85582%0.815SS**  trans-66.6129.8165.7174.30000108.8
174R42.3Very low44.2Very low249 Ų249147.2 Ų147.294%0.9482%0.818SS**  trans-149.1116.6142.2-134.9179.2-178.3-171.1-0.3109.6
175G40.6Very low43.8Very low76 Ų76149.4 Ų149.478%0.78482%0.821SS**  trans-70.2159.9-179.200000113.4
176G34.4Very low42.9Very low76 Ų76144.6 Ų144.678%0.78482%0.822SS**  trans179.596.7171.400000109.2
177A39.5Very low42.4Very low106 Ų106139.8 Ų139.888%0.87682%0.819SS**  trans-60.2141171.100000110.6
178G38Very low41.7Very low41 Ų41135 Ų13542%0.42382%0.818SS.*  trans169.578.6179.200000113.5F180G178-F180 WeakPolarHBondContact O-CD2 3.47Å; G178-F180 PolarHBondContact O-N 3.15Å
179H42.8Very low41.3Very low178 Ų178137.1 Ų137.182%0.82483%0.825SS**  trans-21117.7152.6-2.5-103.6000114.6
180F43.6Very low40.8Very low194 Ų194136.3 Ų136.385%0.85182%0.82SS**  trans-140.2133.3160.4-68.1-73.8000109.9G178G178-F180 WeakPolarHBondContact O-CD2 3.47Å; G178-F180 PolarHBondContact O-N 3.15Å
181P53.1Low40.7Very low118 Ų118140.6 Ų140.677%0.76682%0.824SS**  trans-82.3160179.333.7-32.8000112.2
182P45.5Very low40.5Very low124 Ų124142.2 Ų142.281%0.80582%0.819SS**  trans-71.1147.4-174.928.4-34.3000113.5Q184P182-Q184 PolarHBondContact O-N 3.29Å
183M39.1Very low40.1Very low198 Ų198142.3 Ų142.398%0.97582%0.819SS**  trans-56.4112.2177.8-73.416384.200111.9
184Q42Very low39.5Very low193 Ų193141.9 Ų141.990%0.90282%0.821SS**PPolyproline II helixtrans-83.4131.1171.6-168.7174.4-71.900110.5P182P182-Q184 PolarHBondContact O-N 3.29Å
185R39.3Very low39Very low232 Ų232138.1 Ų138.188%0.87582%0.819SS**PPolyproline II helixtrans-65.6138-179.9-65.8163.165.3-172.50.8111
186S33.8Very low38.6Very low125 Ų125140.5 Ų140.587%0.87482%0.823SS**PPolyproline II helixtrans-57129.1179.7-41.50000113.3
187S38.8Very low38.8Very low99 Ų99141.4 Ų141.469%0.69282%0.823SS**  trans-174.199.1162158.40000108.2
188S34.2Very low38.9Very low121 Ų121142.7 Ų142.785%0.84682%0.823SS**  trans-131108.3176.8-48.50000110.1
189F36.8Very low38.8Very low202 Ų202146.2 Ų146.289%0.88684%0.841SS**  trans-71.6143.5157.6-79.7-94.6000109.2
190S37.8Very low38.4Very low109 Ų109145.4 Ų145.476%0.76284%0.843SS**  trans-78.1164.6-173.8-47.50000114.5
191L39.8Very low37.9Very low168 Ų168139.5 Ų139.588%0.8884%0.836SS**  trans126.5152.8149.6-64.7-176000113.1
192P41.7Very low36.9Very low117 Ų117138.1 Ų138.176%0.7684%0.835SS**  cis-125.2177.2-34.336.1-18.6000113.1
193S32.9Very low36.4Very low121 Ų121144.2 Ų144.285%0.84684%0.842SS**  trans-50.9139.2-178.3-50.60000116.9
194C34.1Very low36.2Very low132 Ų132142 Ų14289%0.89283%0.834SS**  trans-127.7110.9163.1-70.30000110.9
195L31.6Very low37.1Very low171 Ų171137.8 Ų137.890%0.89582%0.823SS**  trans-92.3131.4160.4-133.2108.1000107
196S32.5Very low37.6Very low125 Ų125132 Ų13287%0.87482%0.816SS**  trans-166.6120.2154.3-78.90000110.8
197A38.4Very low37.5Very low95 Ų95133.2 Ų133.279%0.78581%0.812SS**  trans-76.5173.1170.700000112
198P41.7Very low37.2Very low134 Ų134136.6 Ų136.687%0.8781%0.814SS**  trans-122.3140.2142.933.7-22.1000111.6
199S35.2Very low37.1Very low115 Ų115137 Ų13780%0.80481%0.807SS**  trans-132.9144.1171.7-178.30000110.4
200D35.2Very low36.8Very low161 Ų161134.7 Ų134.786%0.86180%0.799SS**  trans107.1131144.8-147.66.6000118.7
201G33.3Very low36.6Very low69 Ų69136.4 Ų136.471%0.71180%0.795SS**  trans160.241.8178.500000121.4
202A32Very low36.6Very low89 Ų89136.4 Ų136.474%0.73680%0.795SS**  trans78.1123.6139.300000124.1
203R34.2Very low36.7Very low252 Ų252135.3 Ų135.395%0.95179%0.788SS**  trans92.1141.5146-50.6-145171.6-159-3.2119.7
204D34.8Very low36.8Very low152 Ų152137.9 Ų137.981%0.81379%0.791SS**  trans-132.1-171.1-144.6-15118.1000109
205P60.4Low36.7Very low104 Ų104139.2 Ų139.268%0.67578%0.784SS**  -115.8-151.1-97.842.3-23.8000110.7
206P49.8Very low36.7Very low110 Ų110138.4 Ų138.471%0.71478%0.78SS**  cis-138.5179.79.239.8-17.8000116.5
207L32.1Very low37Very low151 Ų151140.9 Ų140.979%0.79178%0.777SS**  -174.7123.5127.3-87.9170000111.5
208F32.3Very low36.6Very low171 Ų171145.6 Ų145.675%0.7578%0.781SS**  trans74.285.8150.4-81.8-96000123.5
209N32.7Very low36.2Very low129 Ų129145 Ų14569%0.6977%0.774SS**  45.5110.5112.1-71.9-63.3000121.8
210Q31.5Very low35.9Very low154 Ų154143.9 Ų143.972%0.7277%0.772SS**  81.9119.8115.6-64.7-71.487.300121.1
211Q32.4Very low35.5Very low144 Ų144141.6 Ų141.667%0.67377%0.769SS**  trans102.3103.2133.4-141.979.8-6.300118.4
212L39.4Very low35.4Very low169 Ų169143 Ų14389%0.88577%0.768SS**  trans-118141.7141.7-101.9136.1000107.4
213P45.1Very low35.4Very low93 Ų93145.1 Ų145.160%0.60477%0.771SS**  -138.3151.612536.1-23.7000111.5
214L35.1Very low35.3Very low176 Ų176138.1 Ų138.192%0.92176%0.761SS**  -179.2133.5118.4-88.9168.5000109.9
215H31.2Very low36.1Very low160 Ų160136.3 Ų136.374%0.74176%0.758SS**  trans-106.2139-176.9165.8-81.1000108.4
216L31.5Very low34.6Very low154 Ų154137 Ų13781%0.80677%0.765SS**  trans175.8124.5133.4-126.875.2000109.8
217Q38.5Very low33.7Very low176 Ų176136.3 Ų136.382%0.82276%0.763SS**  trans-94.3156.1167.8-59.9-173.1-50.600110.2
218F29.6Very low33.6Very low195 Ų195133.9 Ų133.986%0.85575%0.754SS**  trans154.6148152.3-104-122.6000109.3
219T33.4Very low33.6Very low120 Ų120134.8 Ų134.874%0.73676%0.758SS**  cis-166.7168.46.1-0.50000110.9
220A28.8Very low33.6Very low92 Ų92132.5 Ų132.576%0.7675%0.752SS**  trans-86.5164176.100000115.7
221S27.6Very low33.7Very low114 Ų114134.4 Ų134.480%0.79776%0.761SS**  trans105.7137.7136.4-143.50000123
222S31.1Very low33.8Very low98 Ų98135.5 Ų135.569%0.68577%0.765SS**  trans-2.2124159.459.10000124.3
223V32.5Very low33.5Very low133 Ų133132.9 Ų132.981%0.80676%0.761SS**  28.3119.9124.5-178.70000121.5
224S30.6Very low32.9Very low106 Ų106136.4 Ų136.474%0.74177%0.769SS**  trans85.6159.6143.9-73.80000120.9
225P52.5Low32.8Very low114 Ų114133.2 Ų133.274%0.7476%0.762SS**  cis-134.9-163.4-40.337.5-18.9000111.4
226S28.6Very low33.3Very low119 Ų119133.5 Ų133.583%0.83276%0.763SS**  trans92.7140.7175.793.40000113.5
227S30.6Very low33.4Very low95 Ų95130.7 Ų130.766%0.66475%0.752SS**  cis-170.1151.6-5.7-172.40000106.4
228V29.9Very low33.1Very low100 Ų100130.9 Ų130.961%0.60675%0.751SS**  trans32.4113.5148.6-63.80000119.5
229F33.3Very low33.4Very low190 Ų190129.5 Ų129.583%0.83375%0.751SS**  177.914587.2-94.5-71.3000110.5
230S32.2Very low33.6Very low80 Ų80134.6 Ų134.656%0.55976%0.757SS**  trans-38.2147.6176-57.60000115.9
231H34.4Very low34.6Very low195 Ų195134.5 Ų134.590%0.90375%0.749SS**  -154.4127.3107.8-86-64000110.2
232H33.9Very low34.9Very low167 Ų167137.8 Ų137.877%0.77376%0.756SS**  trans-79.9143.1176.7-73.9-20000111.9
233S32.8Very low35Very low113 Ų113137.3 Ų137.379%0.7975%0.753SS**  trans-168.392.6141.146.60000107.8
234H32.8Very low35.3Very low167 Ų167138.6 Ų138.677%0.77376%0.755SS**  76.4126.989-101.9-86000115.2
235S34Very low35.6Very low110 Ų110138.9 Ų138.977%0.76976%0.757SS**  trans83.4143156.280.20000117.7
236Q39.7Very low35.1Very low166 Ų166140.8 Ų140.878%0.77676%0.756SS**  cis-177.9147.5-33.7-127.8-162.551.600104.3
237V34.2Very low35.9Very low95 Ų95143.2 Ų143.258%0.57675%0.754SS**  trans67.6144.9157.8-117.50000118.5
238F33.1Very low36.5Very low179 Ų179146.8 Ų146.879%0.78576%0.76SS**  cis-146.1151.810-73.7-93.3000106.1
239L36Very low37Very low166 Ų166148.9 Ų148.987%0.86977%0.766SS**  -173141.363.5-74.9166.3000109.5
240R37.2Very low37Very low227 Ų227145 Ų14586%0.85776%0.763SS**  trans-103.5-176.7161.1-134.9-169.3169.9157.81.7107.4
241P50.2Low37.1Very low90 Ų90149.7 Ų149.758%0.58478%0.781SS**  cis-139.7170-15.238.3-20.6000115.1
242L33.9Very low37Very low183 Ų183150.4 Ų150.496%0.95878%0.775SS**  trans-150.3137.2133.8-77.8-172.9000109.9
243S33.2Very low37.2Very low88 Ų88149.5 Ų149.562%0.61577%0.772SS**  trans-105.9158.5-165.2-81.90000113.7
244L37.8Very low37.4Very low161 Ų161152.5 Ų152.584%0.84378%0.778SS**  trans51.8138.9136.5-69.2158.5000119.4
245S37Very low37.4Very low112 Ų112153.2 Ų153.278%0.78378%0.781SS**  -159.8156.960.655.40000115.2
246Q41.9Very low37.2Very low154 Ų154151 Ų15172%0.7278%0.776SS**  trans-103.4133.6171.6174.393.612.900107.6
247E45.3Very low36.8Very low169 Ų169151.8 Ų151.879%0.7978%0.78SS**  trans-141.6110.7161.8-104.5171170.200111.3
248Q42.9Very low36.8Very low171 Ų171155.9 Ų155.980%0.79979%0.792SS**  trans-87.8133.7154.7-71.7175.5-23.400106.9
249I41.1Very low36.8Very low144 Ų144151.5 Ų151.574%0.73879%0.79SS**  trans-142.4118.1161.8-48.2175.8000110.6
250S33.6Very low36.6Very low109 Ų109148.2 Ų148.276%0.76278%0.781SS**  trans-70.5144163.349.20000111.8
251L33.5Very low36.5Very low177 Ų177144.9 Ų144.993%0.92778%0.775SS**  trans-102.2113.3169.9-146.3172.1000109.5
252R32.6Very low35.7Very low211 Ų211146.7 Ų146.780%0.79678%0.784SS**  trans-108.1126.3169.8-147.8-161.5179.7168.53.7108.4
253E38.3Very low35.6Very low148 Ų148143.9 Ų143.969%0.69278%0.78SS**  trans21.8118.6135.2-162.7171.5-161.600118.2
254L37.2Very low35.7Very low175 Ų175145.4 Ų145.492%0.91679%0.79SS**  trans-146.5122.7147.8-145.895000110.6
255Q33.6Very low36.4Very low182 Ų182143.2 Ų143.285%0.8579%0.786SS**  trans-67.9162.7162.8-71.1179.7-61.300111.8
256G28.4Very low36.3Very low64 Ų64145.2 Ų145.266%0.6679%0.788SS**  trans147.390.6153.100000114
257E32.6Very low36Very low183 Ų183143.1 Ų143.186%0.85579%0.79SS**  91.3103.4119.7-64-109.5108.900113.2
258E34.5Very low36.1Very low180 Ų180140.8 Ų140.884%0.84179%0.788SS**  56.2103.685.5-84.5-73.4142.300114.1
259A31.4Very low36.5Very low88 Ų88138.4 Ų138.473%0.72779%0.787SS**  167.5123.3125.400000112
260S32.5Very low36.5Very low97 Ų97140.3 Ų140.368%0.67879%0.793SS**  trans61.1143.1147.9-65.10000119.7
261E35.3Very low37Very low156 Ų156143 Ų14373%0.72980%0.798SS**  cis-173.3153.9-1.5-111.2160.6-143.600106.2
262T33.6Very low37.3Very low128 Ų128137.9 Ų137.979%0.78579%0.788SS**  trans88.8124159.581.70000120.6
263S32.3Very low38.2Very low125 Ų125138.7 Ų138.787%0.87479%0.791SS**  trans101.2121.5151.879.70000118.4
264S35Very low38.8Very low119 Ų119142.8 Ų142.883%0.83280%0.8SS**  trans-96.1177.2-173-116.50000110.7
265P51.7Low38.9Very low115 Ų115138.4 Ų138.475%0.74780%0.797SS**  trans-98.9147.1-139.938.3-35.1000113.2
266D34.8Very low39.6Very low155 Ų155135 Ų13583%0.82980%0.8SS**  trans-175.5119.9139.2-146.5-6.7000108.7
267S36.3Very low40.5Very low110 Ų110135.4 Ų135.477%0.76981%0.805SS**  trans174.3104.1152.7-82.40000110.8
268T46.8Very low41.7Very low120 Ų120136.1 Ų136.174%0.73681%0.805SS**  trans-9127.7151300000117.3E270T268-E270 PolarHBondContact O-N 2.92Å
269P50.7Low42.6Very low121 Ų121131.4 Ų131.479%0.78680%0.804SS**  trans-78.6104.4161.630.4-29.5000110.1L271P269-L271 PolarHBondContact O-N 2.98Å; P269-L271 VanDerWaalsContact O-N 3.16Å
270E41Very low43.7Very low184 Ų184131.3 Ų131.386%0.8680%0.798SS**  trans-58.8107.3157.6-79.1-93.5133.900108.6T268 G272T268-E270 PolarHBondContact O-N 2.92Å; E270-G272 VanDerWaalsContact C-N 3.27Å; E270-G272 PolarHBondContact O-N 2.86Å
271L44.1Very low45Very low165 Ų165134.5 Ų134.586%0.86481%0.807SS**  trans-73.985.2173.2-108.6149.1000109.2P269 R273P269-L271 PolarHBondContact O-N 2.98Å; P269-L271 VanDerWaalsContact O-N 3.16Å; L271-R273 PolarHBondContact O-N 3.33Å
272G40.9Very low46.1Very low69 Ų69132.8 Ų132.871%0.71181%0.812SS**  trans-50.4126.2170.300000111.6E270E270-G272 VanDerWaalsContact C-N 3.27Å; E270-G272 PolarHBondContact O-N 2.86Å
273R51.4Low47.3Very low229 Ų229137.9 Ų137.986%0.86482%0.817SS**  trans-71.6131.6179.4-66.7177173.7-89.91.8110.6L271L271-R273 PolarHBondContact O-N 3.33Å
274R51.3Low48.5Very low233 Ų233137.2 Ų137.288%0.87981%0.813SS**  trans73.684.6152.1-52.9-137.5-74.6-110.53.5118.2
275G38.8Very low49.7Very low84 Ų84143.2 Ų143.287%0.86682%0.817SS**  trans-94.6111.4142.400000109.5
276A47.6Very low50.3Low109 Ų109142.8 Ų142.890%0.90182%0.817SS**  trans-68.9140.7169.600000110.1
277G47.6Very low52.1Low74 Ų74143.4 Ų143.476%0.76382%0.815SS**SBendtrans122.9108.3157.100000115.3
278K57.5Low53.4Low197 Ų197143.7 Ų143.786%0.85781%0.814SS**  trans74.641.2160-86.8-179169.1-1650118.8S280K278-S280 PolarHBondContact O-N 3.15Å; K278-S280 VanDerWaalsContact O-N 3.17Å
279G54.5Low54.1Low81 Ų81143.2 Ų143.284%0.83581%0.814SS**  trans-77.856.4141.400000111.2L281G279-L281 PolarHBondContact O-N 2.94Å; G279-L281 VanDerWaalsContact O-N 3.15Å
280S53.6Low54.7Low86 Ų86143.9 Ų143.960%0.60182%0.816SS**  trans-7995.9174.361.10000108.2K278 S282K278-S280 PolarHBondContact O-N 3.15Å; K278-S280 VanDerWaalsContact O-N 3.17Å; S280-S282 PolarHBondContact O-N 3.39Å
281L60.3Low55.7Low165 Ų165141.1 Ų141.186%0.86481%0.806SS**  trans-53.5113.3162.3-67.9168.9000106.9G279 R283G279-L281 PolarHBondContact O-N 2.94Å; G279-L281 VanDerWaalsContact O-N 3.15Å; L281-R283 VanDerWaalsContact C-N 3.27Å; L281-R283 PolarHBondContact O-N 2.88Å
282S58.9Low56.3Low120 Ų120137.7 Ų137.784%0.83979%0.789SS**  trans-58.394.8175.7-65.60000108.1S280 S284S280-S282 PolarHBondContact O-N 3.39Å; S282-S284 PolarHBondContact O-N 3.01Å
283R58.1Low57.1Low235 Ų235140.4 Ų140.489%0.88779%0.787SS**  trans-61.8105.6178.4-146.8174.2-168.6-104.64.1105.7L281 R285L281-R283 VanDerWaalsContact C-N 3.27Å; L281-R283 PolarHBondContact O-N 2.88Å; R283-R285 PolarHBondContact O-N 2.91Å
284S57.6Low57.7Low111 Ų111138.3 Ų138.378%0.77678%0.784SS**  trans-52.7110.3178.137.50000108.1S282 S286S282-S284 PolarHBondContact O-N 3.01Å; S284-S286 PolarHBondContact O-N 3.16Å
285R60.7Low58.3Low244 Ų244136 Ų13692%0.92178%0.78SS**  trans-68.288.3167.8-82.8-174.3156.2165-4.8106.5R283 Q287R283-R285 PolarHBondContact O-N 2.91Å; R285-Q287 PolarHBondContact O-N 2.86Å; R285-Q287 VanDerWaalsContact O-N 3.09Å
286S63.1Low59.4Low106 Ų106137.8 Ų137.874%0.74177%0.769SS**  trans-57.5114.1158.554.10000106.1S284S284-S286 PolarHBondContact O-N 3.16Å
287Q73.7Confident60.1Low169 Ų169137.2 Ų137.279%0.7976%0.764SS**  trans-51.8139170.2-68.9-169.6-11.600108.3R285 C289R285-Q287 PolarHBondContact O-N 2.86Å; R285-Q287 VanDerWaalsContact O-N 3.09Å; Q287-C289 PolarHBondContact O-N 3.08Å
288P63.1Low60.7Low116 Ų116141.9 Ų141.975%0.75377%0.768SS**  trans-60.3115.9167.326.3-30.7000106.4V290P288-V290 PolarHBondContact O-N 3.04Å
289C62Low61.2Low109 Ų109142 Ų14274%0.73677%0.769SS**  trans-53.6115.9167.7-42.40000105.6Q287 L291Q287-C289 PolarHBondContact O-N 3.08Å; C289-L291 PolarHBondContact O-N 3.34Å
290V62.1Low61.9Low136 Ų136149 Ų14982%0.82477%0.77SS**  trans-64.787.6165.8177.10000105.3P288 N292P288-V290 PolarHBondContact O-N 3.04Å; V290-N292 PolarHBondContact O-N 3.33Å
291L61.8Low62.4Low126 Ų126156.2 Ų156.266%0.6678%0.784SS**  trans-59112.1171.2-110.5146.8000104.9C289 D293C289-L291 PolarHBondContact O-N 3.34Å; L291-D293 VanDerWaalsContact C-N 3.29Å; L291-D293 PolarHBondContact O-N 2.86Å
292N57.2Low62.8Low92 Ų92157.8 Ų157.849%0.49278%0.778SS.*  trans-6199.6169-103-65.9000106.8V290 K294 K295V290-N292 PolarHBondContact O-N 3.33Å; N292-K294 PolarHBondContact O-N 2.74Å; N292-K294 WeakPolarHBondContact OD1-CD 3.2Å; N292-K295 PolarHBondContact O-N 2.61Å; N292-K295 VanDerWaalsContact O-N 3.07Å
293D59.3Low63.1Low126 Ų126156.5 Ų156.567%0.67477%0.767SS**G310 helixtrans-57.1-15.4173.2-61.7-38.3000111.9L291 K295 I296L291-D293 VanDerWaalsContact C-N 3.29Å; L291-D293 PolarHBondContact O-N 2.86Å; D293-K295 PolarHBondContact O-N 3.14Å; D293-K295 VanDerWaalsContact O-N 3.15Å; D293-I296 HydrophobicContact CB-CD1 4.36Å; D293-I296 PolarHBondContact O-N 3.37Å
294K62.9Low63.2Low185 Ų185153.7 Ų153.780%0.80476%0.764SS**G310 helixtrans-65.1-8.8174.4-42.1-177.5-172.1-177.60114.4N292N292-K294 PolarHBondContact O-N 2.74Å; N292-K294 WeakPolarHBondContact OD1-CD 3.2Å
295K63.6Low63.3Low184 Ų184152.5 Ų152.580%0.875%0.749SS**G310 helixtrans-117.314.1178.8-73-168.4173.5-175.30114.2N292 D293 A297N292-K295 PolarHBondContact O-N 2.61Å; N292-K295 VanDerWaalsContact O-N 3.07Å; D293-K295 PolarHBondContact O-N 3.14Å; D293-K295 VanDerWaalsContact O-N 3.15Å; K295-A297 PolarHBondContact O-N 3.44Å
296I61.4Low63.3Low122 Ų122145.1 Ų145.163%0.62674%0.74SS**THydrogen-bonded Turntrans-94.762.8177.6-47.1171.7000109.9D293D293-I296 HydrophobicContact CB-CD1 4.36Å; D293-I296 PolarHBondContact O-N 3.37Å
297A62.4Low63.2Low98 Ų98149.1 Ų149.181%0.8175%0.747SS**THydrogen-bonded Turntrans-168.915.7167.400000115.1K295K295-A297 PolarHBondContact O-N 3.44Å
298M60.1Low62.8Low172 Ų172148.9 Ų148.985%0.84775%0.746SS**  trans-113.874.4175.9-142.4174.2145.900109.1R300M298-R300 VanDerWaalsContact C-N 3.31Å; M298-R300 PolarHBondContact O-N 2.69Å
299K69.3Low62.9Low199 Ų199152 Ų15287%0.86575%0.751SS**  trans-52.9108.9154.1-94.2-178.3175.8176.20104.6R301K299-R301 VanDerWaalsContact C-N 3.35Å; K299-R301 PolarHBondContact O-N 3.46Å
300R69.4Low63.5Low229 Ų229157.2 Ų157.286%0.86476%0.755SS**  trans-53.8109.6168.5-66.417568.3148.50.5104.5M298 R302M298-R300 VanDerWaalsContact C-N 3.31Å; M298-R300 PolarHBondContact O-N 2.69Å; R300-R302 PolarHBondContact O-N 2.8Å; R300-R302 VanDerWaalsContact O-N 3.08Å
301R63Low64.3Low237 Ų237157 Ų15789%0.89476%0.757SS**  trans-52.9122.1162.2-76.4-177.1138.4107.3-2.2104.1K299K299-R301 VanDerWaalsContact C-N 3.35Å; K299-R301 PolarHBondContact O-N 3.46Å
302R70.1Confident65.1Low197 Ų197156 Ų15674%0.74376%0.76SS**  trans-51.6130.3166.3-155.1168.3-177.3121.10.2104.2R300 E304 D305R300-R302 PolarHBondContact O-N 2.8Å; R300-R302 VanDerWaalsContact O-N 3.08Å; R302-E304 PolarHBondContact O-N 2.82Å; R302-D305 WeakPolarHBondContact CD-OD2 3.48Å; R302-D305 IonicContact CZ-OD2 3.61Å; R302-D305 IonicContact NE-OD2 2.74Å; R302-D305 PolarHBondContact NE-OD2 2.73Å; R302-D305 IonicContact NH2-OD2 3.6Å
303P64.4Low66.5Low93 Ų93158.1 Ų158.160%0.60477%0.77SS**  trans-45.5140.6164.9-19.130000106.2D305P303-D305 PolarHBondContact O-N 3.19Å
304E61.1Low67.8Low176 Ų176155.5 Ų155.582%0.82276%0.757SS**  trans-51.790.1171.737.4-78.4143.300108.5R302 A306R302-E304 PolarHBondContact O-N 2.82Å; E304-A306 VanDerWaalsContact C-N 3.32Å; E304-A306 PolarHBondContact O-N 2.85Å
305D59.8Low69Low87 Ų87152.4 Ų152.447%0.46575%0.748SS.*  trans-57.6106.8172.8-82.2-20.2000102.5R302 P303 Q307R302-D305 WeakPolarHBondContact CD-OD2 3.48Å; R302-D305 IonicContact CZ-OD2 3.61Å; R302-D305 IonicContact NE-OD2 2.74Å; R302-D305 PolarHBondContact NE-OD2 2.73Å; R302-D305 IonicContact NH2-OD2 3.6Å; P303-D305 PolarHBondContact O-N 3.19Å; D305-Q307 VanDerWaalsContact C-N 3.25Å; D305-Q307 PolarHBondContact O-N 3.3Å
306A59.5Low69.8Low88 Ų88146.7 Ų146.773%0.72774%0.735SS**  trans-55.791.5-171.800000108.8E304 E308E304-A306 VanDerWaalsContact C-N 3.32Å; E304-A306 PolarHBondContact O-N 2.85Å; A306-E308 PolarHBondContact O-N 3.45Å
307Q60.8Low70.7Confident191 Ų191148 Ų14889%0.89374%0.736SS**  trans3442.6169.2-155.2171-14.900113.9D305 Q309D305-Q307 VanDerWaalsContact C-N 3.25Å; D305-Q307 PolarHBondContact O-N 3.3Å; Q307-Q309 VanDerWaalsContact C-N 3.33Å; Q307-Q309 PolarHBondContact O-N 3.14Å
308E65.1Low71.5Confident163 Ų163148 Ų14876%0.76272%0.721SS**  trans-68.1105.3174.9-76.3-170-177.200105.2A306 R310A306-E308 PolarHBondContact O-N 3.45Å; E308-R310 VanDerWaalsContact C-N 3.33Å; E308-R310 PolarHBondContact O-N 3.37Å
309Q66.1Low72.4Confident183 Ų183143.4 Ų143.486%0.85570%0.702SS**  trans-60100.1-175.2-160.5179.219.300106.5Q307Q307-Q309 VanDerWaalsContact C-N 3.33Å; Q307-Q309 PolarHBondContact O-N 3.14Å
310R74.7Confident72.7Confident218 Ų218140.5 Ų140.582%0.82369%0.692SS**  trans-51.8131.4176.2-72.2-176.6-179.5163.82.9106.6E308 S312E308-R310 VanDerWaalsContact C-N 3.33Å; E308-R310 PolarHBondContact O-N 3.37Å; R310-S312 PolarHBondContact O-N 3.29Å
311P78.4Confident72.4Confident132 Ų132136.5 Ų136.586%0.85768%0.681SS**  trans-57.7107.9175.221.7-30.5000107.8
312S79.6Confident72.4Confident104 Ų104130.9 Ų130.973%0.72767%0.668SS**  trans-76.2132.7177.753.10000108.3R310 D314R310-S312 PolarHBondContact O-N 3.29Å; S312-D314 PolarHBondContact O-N 3.33Å; S312-D314 VanDerWaalsContact O-N 3.14Å
313L86Confident71.9Confident136 Ų136128.8 Ų128.871%0.71267%0.666SS**  trans-67.2110.9174.1-177.365.3000109.2L315 M318L313-L315 PolarHBondContact O-N 3.14Å; L313-M318 HydrophobicContact CD1-CE 4.23Å; L313-M318 HydrophobicContact CD2-CE 3.76Å; L313-M318 HydrophobicContact CG-CE 4.02Å
314D86.9Confident71.6Confident72 Ų72129.4 Ų129.439%0.38567%0.668SS.*  trans-80.6105.9175.8180-5000109.9S312 A316 K317 M318S312-D314 PolarHBondContact O-N 3.33Å; S312-D314 VanDerWaalsContact O-N 3.14Å; D314-A316 VanDerWaalsContact C-N 3.26Å; D314-A316 PolarHBondContact O-N 3.17Å; D314-A316 WeakPolarHBondContact OD1-CA 3.34Å; D314-A316 WeakPolarHBondContact OD1-CB 3.33Å; D314-A316 PolarHBondContact OD1-N 3.3Å; D314-K317 HydrophobicContact CB-CB 4Å; D314-K317 HydrophobicContact CB-CD 4.11Å; D314-K317 HydrophobicContact CB-CG 4.26Å; D314-K317 PolarHBondContact O-N 3.22Å; D314-K317 PolarHBondContact OD1-N 3.28Å; D314-K317 WeakPolarHBondContact OD2-CD 3.2Å; D314-K317 VanDerWaalsContact OD2-CG 3.23Å; D314-K317 WeakPolarHBondContact OD2-CG 3.23Å; D314-M318 PolarHBondContact O-N 3.12Å
315L87.5Confident71.3Confident120 Ų120127.9 Ų127.963%0.62866%0.659SS**Hα-helixtrans-63.6-31.5179.2-63.7175.7000112L313 M318 T319L313-L315 PolarHBondContact O-N 3.14Å; L315-M318 HydrophobicContact CD2-CE 3.6Å; L315-M318 WeakPolarHBondContact O-CB 3.44Å; L315-M318 PolarHBondContact O-N 3.33Å; L315-T319 WeakPolarHBondContact O-CG2 3.44Å; L315-T319 PolarHBondContact O-N 3.45Å; L315-T319 VanDerWaalsContact O-N 3.09Å; L315-T319 PolarHBondContact O-OG1 3.41Å
316A80.5Confident71.1Confident63 Ų63131 Ų13152%0.52167%0.671SS.*Hα-helixtrans-70-37.8178.100000111.2D314 M318 T319 Q320D314-A316 VanDerWaalsContact C-N 3.26Å; D314-A316 PolarHBondContact O-N 3.17Å; D314-A316 WeakPolarHBondContact OD1-CA 3.34Å; D314-A316 WeakPolarHBondContact OD1-CB 3.33Å; D314-A316 PolarHBondContact OD1-N 3.3Å; A316-M318 VanDerWaalsContact C-N 3.3Å; A316-M318 PolarHBondContact O-N 3.46Å; A316-T319 PolarHBondContact O-N 3.21Å; A316-T319 PolarHBondContact O-OG1 3.29Å; A316-T319 VanDerWaalsContact O-OG1 3.12Å; A316-Q320 WeakPolarHBondContact O-CB 3.43Å; A316-Q320 PolarHBondContact O-N 2.97Å
317K81.1Confident70.9Confident151 Ų151131.9 Ų131.966%0.65767%0.672SS**Hα-helixtrans-63.8-34.1170-84.7178.3176.5175.10113D314D314-K317 HydrophobicContact CB-CB 4Å; D314-K317 HydrophobicContact CB-CD 4.11Å; D314-K317 HydrophobicContact CB-CG 4.26Å; D314-K317 PolarHBondContact O-N 3.22Å; D314-K317 PolarHBondContact OD1-N 3.28Å; D314-K317 WeakPolarHBondContact OD2-CD 3.2Å; D314-K317 VanDerWaalsContact OD2-CG 3.23Å; D314-K317 WeakPolarHBondContact OD2-CG 3.23Å
318M79.3Confident70.9Confident98 Ų98130.5 Ų130.548%0.48367%0.67SS.*Hα-helixtrans-68.4-36.7176.5-159.6-168.5-37.600112.1L313 D314 L315 A316L313-M318 HydrophobicContact CD1-CE 4.23Å; L313-M318 HydrophobicContact CD2-CE 3.76Å; L313-M318 HydrophobicContact CG-CE 4.02Å; D314-M318 PolarHBondContact O-N 3.12Å; L315-M318 HydrophobicContact CD2-CE 3.6Å; L315-M318 WeakPolarHBondContact O-CB 3.44Å; L315-M318 PolarHBondContact O-N 3.33Å; A316-M318 VanDerWaalsContact C-N 3.3Å; A316-M318 PolarHBondContact O-N 3.46Å
319T77.3Confident70.5Confident75 Ų75127.5 Ų127.546%0.4667%0.667SS.*Hα-helixtrans-86.2-20.6-178.657.10000113.7L315 A316 K321 L322 Q323L315-T319 WeakPolarHBondContact O-CG2 3.44Å; L315-T319 PolarHBondContact O-N 3.45Å; L315-T319 VanDerWaalsContact O-N 3.09Å; L315-T319 PolarHBondContact O-OG1 3.41Å; A316-T319 PolarHBondContact O-N 3.21Å; A316-T319 PolarHBondContact O-OG1 3.29Å; A316-T319 VanDerWaalsContact O-OG1 3.12Å; T319-K321 PolarHBondContact O-N 3.09Å; T319-L322 WeakPolarHBondContact O-CA 3.38Å; T319-L322 WeakPolarHBondContact O-CB 3.47Å; T319-L322 PolarHBondContact O-N 3.15Å; T319-Q323 PolarHBondContact O-N 2.93Å
320Q76.4Confident69.1Low137 Ų137130.8 Ų130.864%0.6467%0.672SS**Hα-helixtrans-59.8-33.5174.7-169.3177.419.400112.5A316 L322 T324A316-Q320 WeakPolarHBondContact O-CB 3.43Å; A316-Q320 PolarHBondContact O-N 2.97Å; Q320-L322 VanDerWaalsContact C-N 3.26Å; Q320-L322 PolarHBondContact O-N 3.01Å; Q320-T324 PolarHBondContact O-OG1 3.2Å
321K63.7Low68.1Low146 Ų146126.7 Ų126.764%0.63567%0.674SS**Hα-helixtrans-79.4-4.4174.4-146.7-159.7173.9-171.90113.6T319 F325T319-K321 PolarHBondContact O-N 3.09Å; K321-F325 HydrophobicContact CG-CD2 4.43Å; K321-F325 HydrophobicContact CG-CE2 4.24Å; K321-F325 WeakPolarHBondContact O-CD2 3.49Å
322L61.6Low66.7Low119 Ų119123 Ų12362%0.62366%0.659SS**Hα-helixtrans-96.5-24173.9-62.5176.4000112T319 Q320T319-L322 WeakPolarHBondContact O-CA 3.38Å; T319-L322 WeakPolarHBondContact O-CB 3.47Å; T319-L322 PolarHBondContact O-N 3.15Å; Q320-L322 VanDerWaalsContact C-N 3.26Å; Q320-L322 PolarHBondContact O-N 3.01Å
323Q60.8Low64.7Low152 Ų152128.2 Ų128.271%0.7167%0.669SS**Hα-helixtrans-80.2-26.2175.9-66.7-152.1-14.200113.7T319 F325T319-Q323 PolarHBondContact O-N 2.93Å; Q323-F325 VanDerWaalsContact C-N 3.29Å; Q323-F325 PolarHBondContact O-N 3Å
324T58.6Low62.9Low106 Ų106126.9 Ų126.965%0.6567%0.671SS**THydrogen-bonded Turntrans-81.9-5174.934.50000113.8Q320Q320-T324 PolarHBondContact O-OG1 3.2Å
325F53.5Low60.8Low145 Ų145128.9 Ų128.964%0.63669%0.691SS**THydrogen-bonded Turntrans-123.623.6176.7-68.4-81000113.5K321 Q323 S327K321-F325 HydrophobicContact CG-CD2 4.43Å; K321-F325 HydrophobicContact CG-CE2 4.24Å; K321-F325 WeakPolarHBondContact O-CD2 3.49Å; Q323-F325 VanDerWaalsContact C-N 3.29Å; Q323-F325 PolarHBondContact O-N 3Å; F325-S327 PolarHBondContact O-N 3.28Å
326Q56.6Low59Low151 Ų151127.9 Ų127.971%0.70669%0.694SS**THydrogen-bonded Turntrans-73.847.7163.4-67.4-171.96.200112.1
327S55.4Low57.1Low108 Ų108131.7 Ų131.776%0.75571%0.706SS**THydrogen-bonded Turntrans-137.3-3.4175.3-79.30000116F325F325-S327 PolarHBondContact O-N 3.28Å
328L60.4Low55.3Low161 Ų161127.2 Ų127.284%0.84370%0.702SS**SBendtrans-145.180.4176.6-63.1172.3000110.7
329S55.3Low53.6Low101 Ų101132 Ų13271%0.70672%0.721SS**SBendtrans151.594.4145.7-66.60000110.8
330W37.3Very low51.9Low252 Ų252137 Ų13796%0.95574%0.739SS**  trans-175.999.6132-74.1113.5000108
331P54.7Low50.2Low132 Ų132136.3 Ų136.386%0.85775%0.749SS**  trans-75.9133.8167.2-15.730.7000111.9
332G47.4Very low49Very low54 Ų54134.2 Ų134.256%0.55775%0.752SS**  trans101.9112172.400000111.4
333F38.3Very low48.3Very low214 Ų214134.7 Ų134.794%0.93976%0.763SS**  -136.9117.652.7-57.9-94.3000111.3S335F333-S335 PolarHBondContact O-N 2.92Å
334S48.1Very low46.9Very low107 Ų107131.3 Ų131.375%0.74877%0.769SS**  trans-76.9100.2160.4156.80000107.6S336S334-S336 VanDerWaalsContact C-N 3.28Å; S334-S336 PolarHBondContact O-N 2.91Å
335S42.3Very low45.6Very low115 Ų115130 Ų13080%0.80478%0.777SS**  trans-83.781.8160177.30000107.7F333 D337F333-S335 PolarHBondContact O-N 2.92Å; S335-D337 PolarHBondContact O-N 3.22Å
336S49.9Very low44.6Very low99 Ų99134.5 Ų134.569%0.69279%0.79SS**  trans-67.9116.116052.10000107.6S334S334-S336 VanDerWaalsContact C-N 3.28Å; S334-S336 PolarHBondContact O-N 2.91Å
337D41.8Very low43.3Very low143 Ų143132.9 Ų132.977%0.76580%0.795SS**  trans-131119.8153.8-137.2-6.2000108.3S335S335-D337 PolarHBondContact O-N 3.22Å
338G43.2Very low42.3Very low56 Ų56136.5 Ų136.558%0.57780%0.797SS**  trans-82.4145.5-170.400000111.1
339F43.6Very low41Very low199 Ų199136 Ų13687%0.87380%0.796SS**  trans-127.298.2148.9-68.2-75.1000107.3
340E41.1Very low40.4Very low181 Ų181136.8 Ų136.885%0.84680%0.798SS**  trans-61.4129.8161.5-75.5-166.1121.200109.4
341S39.7Very low40.1Very low121 Ų121129.1 Ų129.185%0.84679%0.789SS**  trans-149.886.9151.9-64.30000107.1
342S40.5Very low38.8Very low102 Ų102126.3 Ų126.371%0.71378%0.783SS**  trans-69.8-177.8164.7-81.60000110.5
343P45.3Very low38.1Very low129 Ų129135.4 Ų135.484%0.83880%0.801SS**  cis-131.8167.6-4935.5-20000111
344G31.8Very low37.8Very low81 Ų81129.1 Ų129.184%0.83578%0.783SS**  trans178.199.7165.800000117.3
345G31.1Very low37.1Very low80 Ų80129.8 Ų129.883%0.82578%0.783SS**  trans92.396.1137.900000118.5
346R33.2Very low36.7Very low239 Ų239128.2 Ų128.290%0.90278%0.777SS**  trans-51.1141.5151.8-75.9177.8174.9-167.5-2.7111.2
347S29.5Very low35.8Very low117 Ų117129.9 Ų129.982%0.81878%0.778SS**  trans-160.9154.2138.2-162.50000111.1
348F34.7Very low35.3Very low183 Ų183132 Ų13280%0.80378%0.781SS**  trans-82.2159.5-155.4-66.4-99.6000115.8
349D32.7Very low34.9Very low151 Ų151133.6 Ų133.681%0.80779%0.788SS**  trans-43.2163.3154.5-109.1-36.9000113.1
350P42.4Very low34.3Very low118 Ų118128.4 Ų128.477%0.76678%0.782SS**  cis-15416847.339.7-17000119.1
351A31.1Very low33.9Very low91 Ų91126.3 Ų126.375%0.75278%0.782SS**  trans46.2118137.200000121.8
352G28.1Very low33.5Very low72 Ų72125.3 Ų125.374%0.74278%0.775SS**  96.4129.5114.600000118.9
353R32.8Very low33.2Very low245 Ų245127.8 Ų127.893%0.92578%0.775SS**  trans66.7146.9157.7-83.3171.4103.4-178.27.9116.1
354S31.5Very low32.4Very low82 Ų82132.6 Ų132.657%0.57378%0.776SS**  cis166.7160.9-13.848.30000104.4
355V32.6Very low32.2Very low122 Ų122132.3 Ų132.374%0.73977%0.774SS**  trans83.394.3164.8-164.90000112.5
356A33.8Very low32.6Very low82 Ų82136.4 Ų136.468%0.67878%0.776SS**  65.2121.27800000112.4
357D30.7Very low32.5Very low133 Ų133133.8 Ų133.871%0.71177%0.774SS**  -172.4126.3120.8-98.7-5.1000112.9
358F32.5Very low32.4Very low188 Ų188133.8 Ų133.883%0.82577%0.774SS**  trans49.7134.2152.9-61.5-84.8000119.4
359A33.6Very low32.3Very low89 Ų89135.6 Ų135.674%0.73678%0.775SS**  cis-171.41564300000111.2
360A32.4Very low32.4Very low91 Ų91133.9 Ų133.975%0.75277%0.77SS**  trans85.8110143.900000121.1
361V31.3Very low31.8Very low137 Ų137134.3 Ų134.383%0.8377%0.766SS**  91.597.7126.3176.20000117.9
362S33.2Very low32Very low100 Ų100137.8 Ų137.870%0.69977%0.769SS**  trans-21.4157.1139.5-51.10000115.1
363E32.7Very low32.2Very low154 Ų154138.6 Ų138.672%0.7277%0.769SS**  cis-167.315010.5-128.9177.3169.300106.7
364R28.4Very low32.4Very low229 Ų229131.8 Ų131.886%0.86477%0.765SS**  trans6.9145.8141.4-54.3178.6-157.7-1576.6119.1
365G28.8Very low32.6Very low76 Ų76134.8 Ų134.878%0.78478%0.775SS**  13284.7128.900000114.5
366L38.4Very low33.1Very low166 Ų166134.8 Ų134.887%0.86977%0.77SS**  trans-68.9125.6154.9-70.6163000108
367E31.7Very low33.6Very low184 Ų184137.4 Ų137.486%0.8677%0.768SS**  trans179.8153.9134.3-133.2102.6-142.100111.8
368S27.7Very low34.5Very low117 Ų117139.4 Ų139.482%0.81877%0.774SS**  trans78.4148.4160.686.40000116.1
369R31.7Very low35.1Very low220 Ų220138.5 Ų138.583%0.8377%0.772SS**  cis-171.9149.9-10.5160.6177.1175.4-172.8-0.9104.7
370T35.9Very low35.3Very low115 Ų115141.7 Ų141.771%0.70678%0.777SS**  trans-32134.9166.8-26.70000115.1
371D30.1Very low35.9Very low127 Ų127142.1 Ų142.168%0.67977%0.774SS**  171.7139.2121.7-95.9-23.4000115.3
372M33.6Very low36.5Very low164 Ų164141 Ų14181%0.80877%0.773SS**  trans82.8110.6148.6-61.7-6516600123.6
373A32.5Very low36.8Very low89 Ų89146 Ų14674%0.73678%0.778SS**  90.3131111.900000122.6
374A37.4Very low37.1Very low102 Ų102141.9 Ų141.984%0.84378%0.776SS**  trans65.8147.2155.300000115.6
375D35Very low38.1Very low146 Ų146137.9 Ų137.978%0.78177%0.768SS**  cis-169139.112-149.118.4000100.6
376D43.3Very low39Very low122 Ų122142.3 Ų142.365%0.65277%0.772SS**  146.7147.574-160.623.3000103.7
377E44.2Very low39.3Very low136 Ų136140.8 Ų140.864%0.63677%0.765SS**  trans10.9139.2167.4-49.8-54.714900120.2
378E50Low40.1Very low175 Ų175138 Ų13882%0.81877%0.766SS**  -158.8146.379.1-73.4-72166.800111.6
379E45.4Very low40.8Very low169 Ų169139.4 Ų139.479%0.7976%0.764SS**  trans-61151.8176.5-57.2177.4124.300113.6
380D38.2Very low41.6Very low156 Ų156134.1 Ų134.183%0.83476%0.761SS**  151.8142.8113.2-159.315.7000114.3
381S45.5Very low41.9Very low101 Ų101132.9 Ų132.971%0.70676%0.763SS**  trans78.299.2168.185.10000117.1
382S41.9Very low42.4Very low114 Ų114132.6 Ų132.680%0.79777%0.769SS**  89.791.271.8-179.70000113.5
383Y40.3Very low42.7Very low204 Ų204130.4 Ų130.480%0.877%0.77SS**  24.8129.6128.6-159.7-102.8000119.9
384G40.2Very low43.2Very low67 Ų67132.7 Ų132.769%0.69177%0.774SS**  trans169.167.1162.700000115.5
385E48.3Very low43.3Very low146 Ų146135.3 Ų135.368%0.68277%0.774SS**  trans-44.8128.6155174.4-178.9-177.100111.4
386L48.8Very low43.6Very low169 Ų169133 Ų13389%0.88577%0.77SS**  trans-148.4126.7157.7-74.6-175.9000112.6
387D43.1Very low43.5Very low133 Ų133139 Ų13971%0.71178%0.783SS**  trans-44.8135.3173.2-78.4-51.3000114.9D389D387-D389 PolarHBondContact O-N 3.09Å
388S49.8Very low43.8Very low126 Ų126138.6 Ų138.688%0.88179%0.792SS**  trans-93.186164.7-69.40000109.6
389D41Very low43Very low146 Ų146133.9 Ų133.978%0.78179%0.791SS**  trans-88.2127.9171.2-88.3-23.2000112.7D387D387-D389 PolarHBondContact O-N 3.09Å
390S49.6Very low42.6Very low109 Ų109131.7 Ų131.776%0.76279%0.794SS**  trans-39.3132.9161.5-177.10000115
391A41.5Very low43Very low90 Ų90130.2 Ų130.274%0.74479%0.793SS**  trans-153.5118.5145.700000111.4
392C41.3Very low42.5Very low120 Ų120130.4 Ų130.481%0.81180%0.8SS**  trans-63.7142163.9-56.80000110
393S38.9Very low42Very low119 Ų119130.3 Ų130.383%0.83280%0.799SS**  trans-143.3105.3163.2-57.20000109.1
394V43.5Very low41.8Very low136 Ų136126.9 Ų126.982%0.82480%0.803SS**  trans-87.3123.9160.7161.60000106.3
395D39.9Very low41.7Very low158 Ų158129.6 Ų129.685%0.84581%0.806SS**  trans-157.7146.3136.5-144.1-9.3000111.7
396S41.3Very low41.1Very low97 Ų97128.9 Ų128.968%0.67881%0.812SS**  trans-104.7144.4-172.4-58.30000111
397R41.1Very low40.5Very low249 Ų249128 Ų12894%0.9481%0.808SS**  177.9158.2121.9-99.4-179.2177.7-139.4-0.3114
398P50.3Low40.2Very low126 Ų126126.5 Ų126.582%0.81881%0.808SS**  trans-103.8151.7-162.238.9-31.4000113.9
399G32.5Very low39.8Very low77 Ų77129.8 Ų129.879%0.79481%0.806SS**  trans-168.9124.917200000112.4
400S37.2Very low39.8Very low123 Ų123134 Ų13486%0.8681%0.811SS**  trans-53.7170-168.3-68.50000119.2
401P46.7Very low39.3Very low124 Ų124135.9 Ų135.981%0.80582%0.818SS**  trans-100.1150.2-149.938.1-31.9000114.3
402A35.3Very low39.5Very low105 Ų105137.7 Ų137.787%0.86882%0.815SS**  trans-121.7126.3162.500000109.5
403C31.7Very low39.5Very low112 Ų112143.9 Ų143.976%0.75782%0.821SS**  trans-79.1127.4-172.7-171.70000111.1
404C36.4Very low39.7Very low133 Ų133147.2 Ų147.290%0.89982%0.821SS**  trans-146.2110.5150-81.10000108.5
405T36.6Very low39.7Very low123 Ų123144 Ų14476%0.75582%0.815SS**  trans-67.5146.3-178.634.30000115.3
406V36.9Very low39.8Very low132 Ų132143.9 Ų143.980%0.882%0.815SS**  trans152.6108.7137.1163.30000104.3
407D36.8Very low40.3Very low151 Ų151145.8 Ų145.881%0.80783%0.827SS**  -164.6168.855.1-146.2-18.6000112.2
408S36.4Very low40.3Very low101 Ų101137 Ų13771%0.70681%0.814SS**  trans-63.6132.4-162.6-65.10000118.7
409K42.1Very low40.6Very low195 Ų195141.5 Ų141.585%0.84882%0.82SS**  -174.890.2126.7-97.7160.6-171.6177.70112.1T411K409-T411 PolarHBondContact O-N 2.94Å
410R39.8Very low41.2Very low235 Ų235146.5 Ų146.589%0.88782%0.823SS**  trans-11.8102.3158.155.9-172.6-173.9-114.30.2117.3
411T39.6Very low42.1Very low147 Ų147151.9 Ų151.990%0.90282%0.824SS**  trans-84.7100.2149.539.50000107.8K409K409-T411 PolarHBondContact O-N 2.94Å
412L45.8Very low42.1Very low129 Ų129151.2 Ų151.268%0.67581%0.814SS**  trans-105.694.5-179.8-173.2107.6000108.9
413W41.2Very low43.5Very low249 Ų249153.2 Ų153.294%0.94381%0.808SS**  trans-148.186143.3-72.8105.2000108.3
414K43.1Very low44.6Very low189 Ų189156 Ų15682%0.82281%0.808SS**  trans-58.9130.6159.8-175177.9178.9-166.20107.4D416K414-D416 PolarHBondContact O-N 3.12Å
415G43.9Very low45.5Very low69 Ų69157.3 Ų157.371%0.71180%0.801SS**  trans-61.3134.3176.600000111.4
416D42.3Very low46.7Very low156 Ų156159.3 Ų159.383%0.83481%0.806SS**  trans-125.2122.7156.4-92.8-30.1000108.5K414 G418K414-D416 PolarHBondContact O-N 3.12Å; D416-G418 PolarHBondContact O-N 3.3Å
417C50.3Low47.6Very low137 Ų137156.7 Ų156.793%0.92681%0.806SS**  trans-74.693.7177.843.50000110.4
418G42Very low49.2Very low65 Ų65152.2 Ų152.267%0.6780%0.796SS**  trans-110.2120.7167.200000110.3D416 Q420D416-G418 PolarHBondContact O-N 3.3Å; G418-Q420 PolarHBondContact O-N 2.91Å
419K55.3Low51Low220 Ų220156.8 Ų156.896%0.95781%0.806SS**  trans-57.293.1-174.8-58.3171.8-177.4177.10112.3
420Q46.3Very low52.6Low181 Ų181154 Ų15485%0.84680%0.8SS**  trans-120112.3164.9-164160.73.200108G418 D422G418-Q420 PolarHBondContact O-N 2.91Å; Q420-D422 PolarHBondContact O-N 3.32Å
421R56.1Low54.6Low236 Ų236146.3 Ų146.389%0.89178%0.776SS**  trans-65.6103179-58.1175.9-173.5167.91.5106.7I423R421-I423 PolarHBondContact O-N 3.49Å
422D46.8Very low56.8Low110 Ų110145.7 Ų145.759%0.58877%0.766SS**  trans-74.5112-179.1-147.9-5.2000108.3Q420 F424Q420-D422 PolarHBondContact O-N 3.32Å; D422-F424 PolarHBondContact O-N 3.44Å; D422-F424 VanDerWaalsContact O-N 3.09Å
423I63.5Low58.5Low147 Ų147145.2 Ų145.275%0.75476%0.761SS**THydrogen-bonded Turntrans-72.62.1-173.9-67.5167.2000111.4R421R421-I423 PolarHBondContact O-N 3.49Å
424F56.3Low60.6Low171 Ų171139 Ų13975%0.7574%0.742SS**THydrogen-bonded Turntrans-126.830.9-175.8-60.2-73.4000114.9D422 L426D422-F424 PolarHBondContact O-N 3.44Å; D422-F424 VanDerWaalsContact O-N 3.09Å; F424-L426 PolarHBondContact O-N 3.16Å
425Q55.6Low62.6Low160 Ų160134.8 Ų134.875%0.74873%0.727SS**  trans-79.271.6161.1-84.4161.22300110.6G427Q425-G427 PolarHBondContact O-N 3.23Å
426L60.3Low64.4Low166 Ų166139.8 Ų139.887%0.86973%0.732SS**  trans-76.960.3154.1-73.7166000108.3F424 G428F424-L426 PolarHBondContact O-N 3.16Å; L426-G428 PolarHBondContact O-N 3.15Å; L426-G428 VanDerWaalsContact O-N 3.15Å
427G55.9Low66.1Low77 Ų77141.2 Ų141.279%0.79473%0.726SS**  trans-83.951.3173.300000111.2Q425Q425-G427 PolarHBondContact O-N 3.23Å
428G70.3Confident67.2Low57 Ų57143.6 Ų143.659%0.58873%0.729SS**  trans-99108.2165.500000107.5L426 L430L426-G428 PolarHBondContact O-N 3.15Å; L426-G428 VanDerWaalsContact O-N 3.15Å; G428-L430 PolarHBondContact O-N 3.15Å
429E75.5Confident68.4Low196 Ų196147.5 Ų147.592%0.91673%0.732SS**  trans-55.4123.3165-172.8172.1-173.500107.5D431E429-D431 PolarHBondContact O-N 3.09Å; E429-D431 VanDerWaalsContact O-N 3.09Å
430L74.1Confident69.1Low138 Ų138143.7 Ų143.772%0.72372%0.721SS**  trans-70108.9177.9-70.4172.5000107.5G428 L432G428-L430 PolarHBondContact O-N 3.15Å; L430-L432 PolarHBondContact O-N 2.98Å
431D83.1Confident70.4Confident72 Ų72141.6 Ų141.639%0.38571%0.714SS.*  trans-68.498.6173.9-176.2-11.1000109.2E429 E433 Q434 I435E429-D431 PolarHBondContact O-N 3.09Å; E429-D431 VanDerWaalsContact O-N 3.09Å; D431-E433 PolarHBondContact O-N 3.06Å; D431-E433 WeakPolarHBondContact OD1-CA 3.33Å; D431-E433 WeakPolarHBondContact OD1-CB 3.44Å; D431-E433 WeakPolarHBondContact OD1-CG 3.5Å; D431-E433 PolarHBondContact OD1-N 2.88Å; D431-Q434 HydrophobicContact CB-CB 3.96Å; D431-Q434 WeakPolarHBondContact O-CB 3.3Å; D431-Q434 PolarHBondContact O-N 3.3Å; D431-Q434 VanDerWaalsContact O-N 3.15Å; D431-Q434 PolarHBondContact OD1-N 3.25Å; D431-I435 PolarHBondContact O-N 3.47Å
432L85.9Confident71.2Confident134 Ų134136.1 Ų136.170%0.70270%0.703SS**Hα-helixtrans-61.7-27.8179.5-64.8175.2000111.7L430 I435 E436L430-L432 PolarHBondContact O-N 2.98Å; L432-I435 HydrophobicContact CD2-CD1 4.41Å; L432-I435 PolarHBondContact O-N 3.17Å; L432-E436 PolarHBondContact O-N 3.41Å; L432-E436 VanDerWaalsContact O-N 3.14Å
433E81.1Confident72.7Confident119 Ų119137.7 Ų137.756%0.55671%0.71SS**Hα-helixtrans-72.3-33.5177.8-41.2179-163.400111.6D431 I435 R437D431-E433 PolarHBondContact O-N 3.06Å; D431-E433 WeakPolarHBondContact OD1-CA 3.33Å; D431-E433 WeakPolarHBondContact OD1-CB 3.44Å; D431-E433 WeakPolarHBondContact OD1-CG 3.5Å; D431-E433 PolarHBondContact OD1-N 2.88Å; E433-I435 VanDerWaalsContact C-N 3.33Å; E433-R437 PolarHBondContact O-N 3.36Å; E433-R437 PolarHBondContact O-NH1 3.49Å; E433-R437 IonicContact OE2-NH2 3.33Å; E433-R437 PolarHBondContact OE2-NH2 3.44Å
434Q85.6Confident73.4Confident118 Ų118137.1 Ų137.155%0.55171%0.708SS**Hα-helixtrans-70.1-32.2175-174.8176.3-27.800111.8D431 N438D431-Q434 HydrophobicContact CB-CB 3.96Å; D431-Q434 WeakPolarHBondContact O-CB 3.3Å; D431-Q434 PolarHBondContact O-N 3.3Å; D431-Q434 VanDerWaalsContact O-N 3.15Å; D431-Q434 PolarHBondContact OD1-N 3.25Å; Q434-N438 PolarHBondContact O-N 3.35Å; Q434-N438 PolarHBondContact O-ND2 3.31Å
435I83.6Confident74.6Confident101 Ų101134.6 Ų134.652%0.51870%0.704SS.*Hα-helixtrans-70.9-37.9175.4-63.5171.8000110.8D431 L432 E433 R437D431-I435 PolarHBondContact O-N 3.47Å; L432-I435 HydrophobicContact CD2-CD1 4.41Å; L432-I435 PolarHBondContact O-N 3.17Å; E433-I435 VanDerWaalsContact C-N 3.33Å; I435-R437 VanDerWaalsContact C-N 3.3Å; I435-R437 PolarHBondContact O-N 3.42Å
436E82.6Confident76Confident175 Ų175132.7 Ų132.782%0.81870%0.701SS**Hα-helixtrans-71.7-25.2179.1-168.3174.7-174.400112.9L432L432-E436 PolarHBondContact O-N 3.41Å; L432-E436 VanDerWaalsContact O-N 3.14Å
437R78.8Confident77.4Confident186 Ų186129.9 Ų129.970%0.70269%0.687SS**Hα-helixtrans-87.8-13.2179.3-72.3-171.3-153.699.11.3115.5E433 I435E433-R437 PolarHBondContact O-N 3.36Å; E433-R437 PolarHBondContact O-NH1 3.49Å; E433-R437 IonicContact OE2-NH2 3.33Å; E433-R437 PolarHBondContact OE2-NH2 3.44Å; I435-R437 VanDerWaalsContact C-N 3.3Å; I435-R437 PolarHBondContact O-N 3.42Å
438N71.8Confident79.3Confident186 Ų186134.7 Ų134.7100%0.99568%0.677SS**  trans-102.80177.4-92.1-78.1000111.7Q434Q434-N438 PolarHBondContact O-N 3.35Å; Q434-N438 PolarHBondContact O-ND2 3.31Å

Retrieved 438 of 438 residues in 47.1 ms (Link to these results)