A0A087WQ74_MOUSE Loading...

IKAROS family zinc finger 2

AlphaFold DB , UniProt , Accession A0A087WQ74, Species MOUSE (Mus musculus, Mouse), Gene Ikzf2, Length 454 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
1M38Very low34.8Very low214 Ų214136.8 Ų136.8100%1.05475%0.752SS**  048.90-53.8173.5-167.200107.4
2E36.3Very low34.4Very low154 Ų154136 Ų13672%0.7276%0.761SS**  85.6116.271.3-73140154.900107.6
3T36.3Very low34.2Very low115 Ų115135.9 Ų135.971%0.70676%0.758SS**  61.1136.75684.80000110.6
4D34.9Very low33.9Very low133 Ų133137.5 Ų137.571%0.71176%0.764SS**  cis-137.315712.6-77.2-76.8000108.4
5A36.8Very low34Very low82 Ų82138.9 Ų138.968%0.67876%0.763SS**  cis77.2154.649.600000115.1
6I37.9Very low33.8Very low161 Ų161140.3 Ų140.383%0.82677%0.768SS**  trans75.8117.1178.3-49.4171.1000113
7D34.7Very low33.8Very low137 Ų137138.3 Ų138.373%0.73377%0.767SS**  cis86.9144.941.3-164.521.6000113.9
8G29.9Very low35Very low71 Ų71136.3 Ų136.373%0.73276%0.761SS**  trans-173.265.8-161.100000116.2
9Y32Very low34.7Very low184 Ų184139.2 Ų139.272%0.72277%0.768SS**  trans-55.8146.6167.4-89-118.3000113.9T11Y9-T11 HydrophobicContact CD1-CG2 4.08Å; Y9-T11 HydrophobicContact CE1-CG2 4.37Å
10I33Very low34.3Very low160 Ų160135.9 Ų135.982%0.82177%0.768SS**  -137.8126.1129.8-64.7-170.6000108.9
11T32.8Very low34.2Very low94 Ų94137.4 Ų137.458%0.57777%0.768SS**  trans-106156.3166.4450000110.5Y9Y9-T11 HydrophobicContact CD1-CG2 4.08Å; Y9-T11 HydrophobicContact CE1-CG2 4.37Å
12C29.8Very low34Very low127 Ų127135.1 Ų135.186%0.85876%0.755SS**  trans-147.778.8171.5-810000110.2
13D31.9Very low33.7Very low135 Ų135131.2 Ų131.272%0.72275%0.749SS**  trans-82152.1167.5-63.1-70.3000111.3
14N29.8Very low33.4Very low158 Ų158132 Ų13285%0.84575%0.749SS**  trans-171.8100.2140.2-98.7-35.7000111.3
15E36.1Very low33.2Very low158 Ų158133.8 Ų133.874%0.73876%0.755SS**  13.7129.1125.9-61.5-68.9119.300118
16L30.3Very low33.3Very low161 Ų161134.5 Ų134.584%0.84376%0.761SS**  -168.9144.9106.7-122.279.7000113.7
17S34.1Very low33Very low107 Ų107135.1 Ų135.175%0.74876%0.764SS**  trans-144.8178.2160.9-77.50000105.3
18P54.9Low32.9Very low103 Ų103135.1 Ų135.167%0.66976%0.764SS**  cis-143.2-151.519.639.9-15.4000114.1
19E29.3Very low32.9Very low190 Ų190138 Ų13889%0.88876%0.762SS**  trans67.7142.2163.2-67.5158.9-155.200117
20G27.8Very low32.8Very low74 Ų74135.5 Ų135.576%0.76377%0.766SS**  cis-156.3-157-8.500000107.7
21E30.9Very low32.6Very low167 Ų167132.6 Ų132.678%0.7876%0.76SS**  cis-171.4156.2-6.5-146.9178.3-146.200108.1
22H34.6Very low32.6Very low166 Ų166132.3 Ų132.377%0.76976%0.762SS**  trans60.4153.6162.9-74-61.5000120.4
23A30Very low32.8Very low73 Ų73132.7 Ų132.760%0.60376%0.76SS**  cis-161.3147.2-19.200000113.6
24N29.8Very low33.8Very low131 Ų131131 Ų13170%0.70176%0.756SS**  trans53.2137.8133.7-69.5-11.2000125.7
25M31.9Very low33.9Very low171 Ų171131.1 Ų131.184%0.84276%0.757SS**  trans82.6119.4137.6-73.5162.6-170.300120.7
26A36.9Very low33.6Very low97 Ų97126.7 Ų126.780%0.80275%0.754SS**  trans-87.7153.5157.500000110.9
27I33.4Very low33.6Very low174 Ų174127.5 Ų127.589%0.89275%0.754SS**  trans-137.3157.9159.3-47.1178.3000107.1
28D30.7Very low33.5Very low136 Ų136131.2 Ų131.273%0.72776%0.759SS**  trans-125.8179.2-160.3-175.219.1000111.9
29L30.5Very low32.3Very low131 Ų131130.5 Ų130.569%0.68676%0.761SS**  trans88.8133.9156.8-56.2176.4000121.9
30T29.8Very low32.5Very low133 Ų133127 Ų12782%0.81676%0.758SS**  trans69.7154.3147.956.20000121.3
31S29.9Very low33.3Very low98 Ų98129.6 Ų129.669%0.68576%0.761SS**  cis-168.7167.3-34.459.30000112
32S31.8Very low33.2Very low88 Ų88126 Ų12662%0.61576%0.755SS**  trans6597.8148.550.10000122.6
33T34.9Very low33Very low135 Ų135125.5 Ų125.583%0.82875%0.752SS**  58.2168.8113500000121.1
34P52.7Low32.8Very low99 Ų99128.8 Ų128.864%0.64376%0.757SS**  cis-141-175.714.445.8-27000119.5
35N30.6Very low32.6Very low162 Ų162128 Ų12887%0.86676%0.757SS**  trans77.5132160.3-61.9-20.5000119.9
36G30.1Very low32.5Very low65 Ų65124.6 Ų124.667%0.6775%0.75SS**  cis169.9162.4-11.800000116.6
37Q31.9Very low32Very low178 Ų178125.5 Ų125.583%0.83275%0.746SS**  trans67.1111.7159.7-51.5-168.70.300117.3
38H31.6Very low31.7Very low185 Ų185123.9 Ų123.986%0.85674%0.739SS**  67.6140.986.3-67.3-63.2000115
39A29.3Very low31.9Very low87 Ų87123.3 Ų123.372%0.71975%0.745SS**  cis-167.8162.1-19.500000108.9
40S34.2Very low31.7Very low116 Ų116123.7 Ų123.781%0.81175%0.753SS**  trans-67.3165.6172.2-43.80000112.7
41P44.3Very low31.5Very low129 Ų129125.2 Ų125.284%0.83875%0.749SS**  -139-174.111139.7-28.9000114.3
42S28.3Very low31.1Very low93 Ų93126.2 Ų126.265%0.6575%0.745SS**  trans-135.9-171.7-167.849.70000111.8
43H30.4Very low30.8Very low154 Ų154129.7 Ų129.771%0.71375%0.752SS**  trans88.4114161.1-68.5-72.2000121.5
44M26.4Very low30.3Very low143 Ų143130.7 Ų130.770%0.70475%0.749SS**  84.4130.1115.9-64.7-66.517700123.1
45T25.8Very low29.1Very low113 Ų113133.2 Ų133.269%0.69375%0.752SS**  trans66.8114.6135.256.10000122.2
46S28.3Very low29Very low100 Ų100129.6 Ų129.670%0.69974%0.739SS**  105.1143.5112.7-75.40000122.5
47T27.9Very low28.8Very low117 Ų117132.1 Ų132.172%0.71874%0.738SS**  trans81.4122.4143.941.30000122.8
48N26.1Very low28.8Very low139 Ų139132.1 Ų132.174%0.74374%0.738SS**  trans85.384.2132.8-61-3.6000121.7
49S35.3Very low28.8Very low124 Ų124131.9 Ų131.987%0.86774%0.737SS**  7.4119.5126.9-44.80000120.3
50V25.2Very low28.5Very low140 Ų140132.4 Ų132.485%0.84873%0.734SS**  trans-154143.7162171.10000107.6
51K25.6Very low28.2Very low165 Ų165133.2 Ų133.272%0.71773%0.73SS**  cis-179139.5-20.8172.1168.7-172.2-117.90110
52L22.3Very low27.4Very low118 Ų118137 Ų13762%0.61873%0.727SS**  trans63161.6164.3-67.4167.8000118.9
53E26.5Very low27.2Very low162 Ų162141 Ų14176%0.75774%0.736SS**  cis-174.9-171.2-34.7-153.8167.1-115.600110.1
54M24Very low27.8Very low155 Ų155138.8 Ų138.876%0.76474%0.735SS**  trans76.3131.4169.1-45.8-177.378.900114.7
55Q27.8Very low27.7Very low153 Ų153140.6 Ų140.672%0.71575%0.746SS**  cis-159.4174.6-0.5-122.4-176.5-65.500107.7
56S26.6Very low27.8Very low85 Ų85140.2 Ų140.259%0.59475%0.748SS**  cis-160.1159.12.853.70000111
57D26.1Very low27.8Very low119 Ų119146.8 Ų146.864%0.63676%0.758SS**  21142.2116-27.3-41.8000118
58E33.2Very low28Very low178 Ų178148.3 Ų148.383%0.83276%0.757SS**  cis-169167.13.6-113.8167.6-178.300107.3
59E30.4Very low28.1Very low179 Ų179149.9 Ų149.984%0.83677%0.765SS**  cis-148.4177.7-5.7178.9166.8-153.400109.6
60C24.6Very low28Very low98 Ų98152.3 Ų152.366%0.66276%0.763SS**  trans-56.6159.9173.4-1630000118.6
61D26.4Very low28.3Very low134 Ų134152 Ų15272%0.71776%0.755SS**  -157.7172.5112.4-134.4-20.2000115
62R27.7Very low28.6Very low207 Ų207154 Ų15478%0.78176%0.758SS**  trans-85.7154-150.3-56.9137.3-157.6-121.6-2.1119.3
63Q25.4Very low28.8Very low179 Ų179151.6 Ų151.684%0.83676%0.762SS**  8172129-52.2-175.5-35.700121.3
64P41.2Very low29Very low107 Ų107151.4 Ų151.470%0.69576%0.761SS**  -136.7178.2-50.640-24.5000111.9
65L26.2Very low29.1Very low180 Ų180151 Ų15194%0.94276%0.762SS**  trans-148.6153.4152.6-90.8-169.4000112.9
66S26.2Very low29.2Very low105 Ų105153.3 Ų153.373%0.73477%0.772SS**  trans-106.7161.6-173.553.30000113.4
67R29.5Very low29.2Very low238 Ų238152.5 Ų152.590%0.89878%0.777SS**  -155.5147.5122.2-150.3166-172.7146.83.9111.7
68E31Very low29.5Very low149 Ų149152.2 Ų152.270%0.69679%0.785SS**  trans-78.8160.1171.8-52.3103.4145.200112.6
69D29.8Very low29.1Very low173 Ų173148.2 Ų148.293%0.92578%0.776SS**  -150.9125.3128.3-99.6-34.5000108.4
70E31.9Very low29.1Very low174 Ų174148.1 Ų148.181%0.81378%0.781SS**  trans-82.8164.3173-61.7-179.2102.800111
71I32.4Very low29.4Very low133 Ų133151.6 Ų151.668%0.68279%0.787SS**  174.8128.8118.5-90.4156.8000111.4
72R30.4Very low29.7Very low207 Ų207153.4 Ų153.478%0.78179%0.791SS**  trans50111.6163.7-87.3170.3-75-127.9-12.1119
73G26.7Very low30.2Very low68 Ų68148.1 Ų148.170%0.70178%0.784SS**  trans-86.5179.4137.500000111.5
74H30.8Very low30.6Very low159 Ų159145 Ų14574%0.73677%0.773SS**  trans-154.2106.1154.3-103.9-58.4000110
75D25.9Very low30.3Very low146 Ų146147.2 Ų147.278%0.78178%0.777SS**  trans50.9149.2139.7-49.5-48.7000123.5
76E29.8Very low30.7Very low201 Ų201147.6 Ų147.694%0.93977%0.774SS**  trans-92.6173.6-167.8-50.2179.3137.300114.2
77G26.8Very low31.2Very low68 Ų68147.2 Ų147.270%0.70177%0.771SS**  trans14279.7175.400000111.9
78S32.3Very low31.5Very low113 Ų113140.5 Ų140.579%0.7976%0.761SS**  57.7122.656-167.10000113.3
79S25.9Very low31.7Very low94 Ų94142.1 Ų142.166%0.65777%0.768SS**  cis-161147.7-11.8-81.80000109.5
80L30.8Very low32.2Very low177 Ų177139.9 Ų139.993%0.92776%0.761SS**  trans-151.694.2150.3-80.3-171.1000109.9
81E30.6Very low32.3Very low171 Ų171134.8 Ų134.880%0.79975%0.749SS**  trans-65.5165.6152-66.6-76.1130.600108.6
82E31.4Very low32.4Very low172 Ų172133.2 Ų133.280%0.80474%0.741SS**  cis-137.3-147.623.7-60.2178.8117.300111.3
83P38Very low32.6Very low97 Ų97128.9 Ų128.963%0.6373%0.734SS**  -120.9139.3-87.633.7-17.2000113
84L33.9Very low33.3Very low114 Ų114135.4 Ų135.460%0.59774%0.737SS**  trans-130.478.1170.3-75.5178.9000112.1E86 L157L84-E86 PolarHBondContact O-N 3.4Å; L84-L157 HydrophobicContact CD1-CD2 4.33Å
85I36.4Very low33.6Very low153 Ų153135.7 Ų135.779%0.78574%0.736SS**  trans11.389.4164.4-50.8177000114.1S87I85-S87 PolarHBondContact O-N 2.92Å
86E35Very low34.5Very low188 Ų188134.1 Ų134.188%0.87973%0.732SS**  trans-69.3110.7166.6-173.6159.1-124.300109.1L84L84-E86 PolarHBondContact O-N 3.4Å
87S36.1Very low35.1Very low96 Ų96130.7 Ų130.767%0.67172%0.716SS**  trans-91.3101.9169.3-48.20000107.6I85I85-S87 PolarHBondContact O-N 2.92Å
88S35.1Very low36Very low98 Ų98133.3 Ų133.369%0.68571%0.714SS**  trans-68.9-177.8173.4490000112
89E35.2Very low36.9Very low182 Ų182131 Ų13185%0.8569%0.692SS**  trans77.855.4176.1-52.7-167.8172.600116.9
90V41.6Very low37.9Very low127 Ų127134.8 Ų134.877%0.7770%0.7SS**  29.4110.6126.3-171.90000118
91A32.2Very low38.5Very low67 Ų67128.6 Ų128.655%0.55468%0.678SS**  trans-95.4118.8152.300000110.4N93A91-N93 PolarHBondContact O-N 3.35Å; A91-N93 PolarHBondContact O-ND2 3.26Å
92D34.8Very low39.2Very low99 Ų99129.2 Ų129.253%0.52968%0.681SS.*  trans-71.489.4-168.6-123.4-24.8000112.9R94D92-R94 HydrophobicContact CB-CG 4.21Å; D92-R94 PolarHBondContact O-N 2.68Å; D92-R94 WeakPolarHBondContact OD1-CG 3.23Å; D92-R94 IonicContact OD1-CZ 2.89Å; D92-R94 IonicContact OD1-NE 3.6Å; D92-R94 PolarHBondContact OD1-NE 2.83Å; D92-R94 IonicContact OD1-NH2 3.66Å; D92-R94 IonicContact OD2-CZ 3.63Å; D92-R94 IonicContact OD2-NE 2.82Å; D92-R94 PolarHBondContact OD2-NE 2.76Å; D92-R94 IonicContact OD2-NH2 3.1Å; D92-R94 PolarHBondContact OD2-NH2 3Å
93N35.6Very low40Very low117 Ų117124.2 Ų124.263%0.62668%0.676SS**  trans-77.851.5173.3-83.1-87.7000112.1A91 K95A91-N93 PolarHBondContact O-N 3.35Å; A91-N93 PolarHBondContact O-ND2 3.26Å; N93-K95 PolarHBondContact O-N 2.84Å
94R41Very low40.9Very low205 Ų205123.9 Ų123.977%0.77469%0.69SS**THydrogen-bonded Turntrans-73.847.4-178.5-64.6-169.3-172.9-17814.3114.3D92D92-R94 HydrophobicContact CB-CG 4.21Å; D92-R94 PolarHBondContact O-N 2.68Å; D92-R94 WeakPolarHBondContact OD1-CG 3.23Å; D92-R94 IonicContact OD1-CZ 2.89Å; D92-R94 IonicContact OD1-NE 3.6Å; D92-R94 PolarHBondContact OD1-NE 2.83Å; D92-R94 IonicContact OD1-NH2 3.66Å; D92-R94 IonicContact OD2-CZ 3.63Å; D92-R94 IonicContact OD2-NE 2.82Å; D92-R94 PolarHBondContact OD2-NE 2.76Å; D92-R94 IonicContact OD2-NH2 3.1Å; D92-R94 PolarHBondContact OD2-NH2 3Å
95K37.5Very low41.8Very low164 Ų164124 Ų12471%0.71369%0.69SS**THydrogen-bonded Turntrans-152.442.4162.5-143.2148.3-171.71750114.3N93 Q97N93-K95 PolarHBondContact O-N 2.84Å; K95-Q97 HydrophobicContact CG-CG 3.89Å; K95-Q97 PolarHBondContact O-N 2.92Å
96V44.4Very low42.6Very low113 Ų113128.1 Ų128.169%0.68570%0.696SS**  trans-69.784.5161.1-176.10000108.2D98V96-D98 PolarHBondContact O-N 3.01Å
97Q42.3Very low43.5Very low130 Ų130122.6 Ų122.661%0.60767%0.671SS**  trans-73113.3177.8-69.7-176.8-7700110.5K95 L99K95-Q97 HydrophobicContact CG-CG 3.89Å; K95-Q97 PolarHBondContact O-N 2.92Å; Q97-L99 PolarHBondContact O-N 3.18Å
98D45.8Very low44.2Very low123 Ų123123.9 Ų123.966%0.65868%0.678SS**  trans45.551141.1-50.8-52.4000117.1V96 Q100V96-D98 PolarHBondContact O-N 3.01Å; D98-Q100 PolarHBondContact O-N 3.19Å
99L51.7Low44.9Very low65 Ų65125.3 Ų125.334%0.3468%0.677SS.*  trans-72.866.2161.8-70.9178.5000110.6Q97 K126 L129Q97-L99 PolarHBondContact O-N 3.18Å; L99-K126 HydrophobicContact CD1-CG 4.46Å; L99-K126 PolarHBondContact O-NZ 3.08Å; L99-L129 HydrophobicContact CD1-CD2 4.19Å
100Q46.5Very low46Very low173 Ų173119.5 Ų119.581%0.80867%0.667SS**  trans-58.4141.1169.7-69.1172-7.900109.7D98D98-Q100 PolarHBondContact O-N 3.19Å
101G43.4Very low47Very low47 Ų47118 Ų11849%0.48565%0.652SS.*  trans128.186.5-162.500000109.9
102E44.3Very low48.9Very low184 Ų184122.1 Ų122.186%0.8665%0.653SS**  trans-84153.2166.9-60.5-163.8152.900110.2
103G48.8Very low50.8Low67 Ų67120.4 Ų120.469%0.69165%0.647SS**SBendtrans78.2147.9-177.500000114.4I105G103-I105 VanDerWaalsContact C-N 3.26Å; G103-I105 PolarHBondContact O-N 2.95Å
104G56.7Low53.2Low89 Ų89116.8 Ų116.892%0.91863%0.626SS**  trans-80.765.2174.900000112.1R106G104-R106 PolarHBondContact O-N 3.4Å
105I52.9Low55.1Low116 Ų116111.8 Ų111.860%0.59561%0.611SS**  trans-67.1105.5-179.2-49.3179.1000109.7G103 L107G103-I105 VanDerWaalsContact C-N 3.26Å; G103-I105 PolarHBondContact O-N 2.95Å; I105-L107 HydrophobicContact CB-CD1 4.18Å; I105-L107 HydrophobicContact CG2-CD1 3.64Å; I105-L107 HydrophobicContact CG2-CG 3.91Å; I105-L107 PolarHBondContact O-N 3.17Å
106R52.9Low57.4Low241 Ų241104.1 Ų104.191%0.90958%0.578SS**  trans-85.988.6167.1-177.1179.5-179.9171.2-1.5108.2G104G104-R106 PolarHBondContact O-N 3.4Å
107L54.6Low59Low71 Ų71106.5 Ų106.537%0.37259%0.587SS.*  trans-63.1139.3175-69.894.8000110I105 N109I105-L107 HydrophobicContact CB-CD1 4.18Å; I105-L107 HydrophobicContact CG2-CD1 3.64Å; I105-L107 HydrophobicContact CG2-CG 3.91Å; I105-L107 PolarHBondContact O-N 3.17Å; L107-N109 VanDerWaalsContact C-N 3.28Å; L107-N109 PolarHBondContact O-N 3.32Å
108P50.4Low60.6Low124 Ų124106.6 Ų106.681%0.80559%0.587SS**SBendtrans-67.7-22.6-176.4-22.834.6000114.9G110P108-G110 PolarHBondContact O-N 3.43Å
109N51.3Low62.2Low127 Ų127103.9 Ų103.968%0.67958%0.577SS**SBendtrans-95.532-159.4-61.6-7.5000114.8L107 E111L107-N109 VanDerWaalsContact C-N 3.28Å; L107-N109 PolarHBondContact O-N 3.32Å; N109-E111 HydrophobicContact CB-CG 4.39Å; N109-E111 PolarHBondContact O-N 3.13Å
110G56.4Low63.5Low61 Ų61103.4 Ų103.463%0.62959%0.588SS**  trans66.53.3177.900000116P108P108-G110 PolarHBondContact O-N 3.43Å
111E62.8Low65Low96 Ų9696.6 Ų96.645%0.44956%0.561SS.*  trans-59.1139.9-175.8-67.6177-136.600112.6N109 P113N109-E111 HydrophobicContact CB-CG 4.39Å; N109-E111 PolarHBondContact O-N 3.13Å; E111-P113 WeakPolarHBondContact O-CD 3.48Å
112R71.8Confident66.9Low153 Ų15396 Ų9658%0.57755%0.549SS*.  trans-117.661.7-177.1-60.2168.296.4127.30.3110.2F114 H115 S122 F123 T124R112-F114 PolarHBondContact O-N 3.34Å; R112-F114 VanDerWaalsContact O-N 3.09Å; R112-H115 PolarHBondContact O-CE1 2.98Å; R112-H115 PolarHBondContact O-ND1 3.12Å; R112-S122 PolarHBondContact NE-O 2.88Å; R112-F123 CarbonylContact C-O 3.18Å; R112-F123 WeakPolarHBondContact CA-O 3.47Å; R112-T124 HydrophobicContact CG-CG2 3.95Å
113P76.6Confident68.8Low62 Ų6289.3 Ų89.340%0.40352%0.518SS..  trans-63.5-21.5-16725-34.9000114.2E111 H115E111-P113 WeakPolarHBondContact O-CD 3.48Å; P113-H115 PolarHBondContact O-N 3.19Å; P113-H115 PolarHBondContact O-ND1 3.35Å
114F84.4Confident70.5Confident42 Ų4289.8 Ų89.818%0.18451%0.507CS..EExtended strand (participates in β ladder)trans-8999.1-176.2-54.6-73.1000111.3R112 F123 K126 L129R112-F114 PolarHBondContact O-N 3.34Å; R112-F114 VanDerWaalsContact O-N 3.09Å; F114-F123 HydrophobicContact CB-CB 4.33Å; F114-F123 WeakPolarHBondContact CB-O 3.41Å; F114-F123 WeakPolarHBondContact CD2-O 3.42Å; F114-F123 PolarHBondContact N-O 2.76Å; F114-F123 VanDerWaalsContact N-O 3.15Å; F114-F123 PolarHBondContact O-N 3.45Å; F114-K126 HydrophobicContact CD1-CB 3.82Å; F114-K126 HydrophobicContact CD1-CG 4.11Å; F114-K126 VanDerWaalsContact CD2-N 3.25Å; F114-K126 HydrophobicContact CE1-CB 3.65Å; F114-K126 HydrophobicContact CE1-CD 4.03Å; F114-K126 HydrophobicContact CE1-CG 4.03Å; F114-K126 HydrophobicContact CE2-CB 4.36Å; F114-K126 HydrophobicContact CG-CB 4.27Å; F114-K126 HydrophobicContact CZ-CB 3.93Å; F114-L129 HydrophobicContact CB-CB 3.93Å; F114-L129 HydrophobicContact CB-CD2 3.82Å; F114-L129 HydrophobicContact CB-CG 4.48Å
115H80.6Confident71.9Confident99 Ų9990.9 Ų90.946%0.45849%0.489SS..EExtended strand (participates in β ladder)trans-97.8143.9-175.1-6875.6000113R112 P113 S122 L129R112-H115 PolarHBondContact O-CE1 2.98Å; R112-H115 PolarHBondContact O-ND1 3.12Å; P113-H115 PolarHBondContact O-N 3.19Å; P113-H115 PolarHBondContact O-ND1 3.35Å; H115-S122 PolarHBondContact CD2-OG 3.5Å; H115-S122 PolarHBondContact NE2-OG 3.17Å; H115-L129 WeakPolarHBondContact O-CD1 3.36Å; H115-L129 WeakPolarHBondContact O-CD2 3.43Å
116C85.9Confident73.3Confident4 Ų489 Ų893%0.02748%0.476CS..  trans-93.2108.7171.5-173.60000111.9Q118 C119 G120 A121 L129 H132 H136C116-Q118 PolarHBondContact O-N 3.35Å; C116-C119 PolarHBondContact O-N 3.27Å; C116-G120 WeakPolarHBondContact O-CA 3.45Å; C116-G120 PolarHBondContact O-N 3.07Å; C116-A121 HydrophobicContact CB-CB 4.32Å; C116-A121 PolarHBondContact N-O 2.99Å; C116-L129 HydrophobicContact CB-CD1 3.69Å; C116-H132 VanDerWaalsContact SG-CD2 3.53Å; C116-H132 PolarHBondContact SG-NE2 2.85Å; C116-H132 VanDerWaalsContact SG-NE2 3.35Å; C116-H136 PolarHBondContact SG-NE2 2.87Å
117N78.4Confident74.8Confident162 Ų16279.6 Ų79.687%0.86645%0.454SS*.THydrogen-bonded Turntrans-61.3-14.8-179.5-61.1-5.6000114.4
118Q76.2Confident76.1Confident133 Ų13378.1 Ų78.162%0.62145%0.446SS*.THydrogen-bonded Turntrans-93.1-20.3-178.1-172.3166.6100114.1C116 H136C116-Q118 PolarHBondContact O-N 3.35Å; Q118-H136 PolarHBondContact OE1-CD2 3.23Å; Q118-H136 VanDerWaalsContact OE1-CG 3.29Å
119C80.1Confident77.7Confident65 Ų6572.3 Ų72.344%0.43941%0.409SS..THydrogen-bonded Turntrans-149.28.8179.971.40000115.6C116 A121 H132 H136C116-C119 PolarHBondContact O-N 3.27Å; C119-A121 VanDerWaalsContact C-N 3.26Å; C119-A121 PolarHBondContact O-N 2.9Å; C119-H132 VanDerWaalsContact SG-CE1 3.58Å; C119-H132 PolarHBondContact SG-NE2 3.01Å; C119-H136 WeakPolarHBondContact CB-CE1 3.29Å; C119-H136 PolarHBondContact SG-CE1 3.4Å; C119-H136 PolarHBondContact SG-NE2 3.37Å
120G78Confident79.2Confident55 Ų5570.2 Ų70.257%0.56740%0.397SS*.  trans73.93.9177.500000115.9C116 S122C116-G120 WeakPolarHBondContact O-CA 3.45Å; C116-G120 PolarHBondContact O-N 3.07Å; G120-S122 PolarHBondContact O-N 3.13Å
121A78.8Confident80.3Confident30 Ų3073.9 Ų73.925%0.24839%0.392CS..  trans-70.6125.4-177.800000112.7C116 C119 F123C116-A121 HydrophobicContact CB-CB 4.32Å; C116-A121 PolarHBondContact N-O 2.99Å; C119-A121 VanDerWaalsContact C-N 3.26Å; C119-A121 PolarHBondContact O-N 2.9Å; A121-F123 HydrophobicContact CB-CE2 3.73Å; A121-F123 HydrophobicContact CB-CZ 3.88Å; A121-F123 WeakPolarHBondContact O-CD2 3.49Å; A121-F123 VanDerWaalsContact O-CE2 3.29Å; A121-F123 WeakPolarHBondContact O-CE2 3.4Å
122S82.7Confident81.2Confident34 Ų3470.7 Ų70.724%0.23838%0.377CS..EExtended strand (participates in β ladder)trans-104134.3-177.9-43.40000113.3R112 H115 G120R112-S122 PolarHBondContact NE-O 2.88Å; H115-S122 PolarHBondContact CD2-OG 3.5Å; H115-S122 PolarHBondContact NE2-OG 3.17Å; G120-S122 PolarHBondContact O-N 3.13Å
123F84.9Confident81.7Confident45 Ų4566.8 Ų66.820%0.19737%0.367CS..EExtended strand (participates in β ladder)trans-124.1147.5-175.8-57.7-87.6000112.1R112 F114 A121 Q125 N128 L129 H132R112-F123 CarbonylContact C-O 3.18Å; R112-F123 WeakPolarHBondContact CA-O 3.47Å; F114-F123 HydrophobicContact CB-CB 4.33Å; F114-F123 WeakPolarHBondContact CB-O 3.41Å; F114-F123 WeakPolarHBondContact CD2-O 3.42Å; F114-F123 PolarHBondContact N-O 2.76Å; F114-F123 VanDerWaalsContact N-O 3.15Å; F114-F123 PolarHBondContact O-N 3.45Å; A121-F123 HydrophobicContact CB-CE2 3.73Å; A121-F123 HydrophobicContact CB-CZ 3.88Å; A121-F123 WeakPolarHBondContact O-CD2 3.49Å; A121-F123 VanDerWaalsContact O-CE2 3.29Å; A121-F123 WeakPolarHBondContact O-CE2 3.4Å; F123-Q125 VanDerWaalsContact C-N 3.3Å; F123-N128 HydrophobicContact CB-CB 4.33Å; F123-N128 HydrophobicContact CD1-CB 3.99Å; F123-N128 HydrophobicContact CG-CB 4.39Å; F123-L129 HydrophobicContact CB-CB 4.4Å; F123-L129 HydrophobicContact CD2-CB 3.93Å; F123-L129 HydrophobicContact CD2-CD1 3.88Å; F123-L129 HydrophobicContact CE2-CD1 4.06Å; F123-L129 HydrophobicContact CG-CB 4.36Å; F123-H132 HydrophobicContact CE1-CB 4.14Å; F123-H132 HydrophobicContact CE2-CB 3.87Å; F123-H132 AromaticContact CE2-CD2 3.6Å; F123-H132 AromaticContact CE2-CG 3.64Å; F123-H132 HydrophobicContact CZ-CB 3.5Å; F123-H132 VanDerWaalsContact CZ-CB 3.5Å; F123-H132 AromaticContact CZ-CD2 3.76Å; F123-H132 AromaticContact CZ-CG 3.34Å; F123-H132 AromaticContact CZ-ND1 3.66Å
124T84.4Confident81.8Confident76 Ų7670.2 Ų70.247%0.46638%0.375SS..SBendtrans-78-10.2175.1530000113.7R112R112-T124 HydrophobicContact CG-CG2 3.95Å
125Q85.1Confident81.2Confident113 Ų11372.5 Ų72.553%0.52839%0.389SS..SBendtrans-142.6134-176.9-64.5177.9-10.700112.1F123 G127 N128 L129F123-Q125 VanDerWaalsContact C-N 3.3Å; Q125-G127 VanDerWaalsContact C-N 3.26Å; Q125-G127 PolarHBondContact O-N 3.4Å; Q125-N128 HydrophobicContact CB-CB 4.49Å; Q125-N128 PolarHBondContact O-N 2.86Å; Q125-N128 PolarHBondContact OE1-ND2 3.23Å; Q125-N128 VanDerWaalsContact OE1-ND2 3.14Å; Q125-L129 PolarHBondContact O-N 2.04Å
126K83.2Confident81Confident76 Ų7671.4 Ų71.433%0.3338%0.384SS..Hα-helixtrans-52.2-40.4176.8-164.2163.9175.3170.80112.6L99 F114 N128 L129 L130L99-K126 HydrophobicContact CD1-CG 4.46Å; L99-K126 PolarHBondContact O-NZ 3.08Å; F114-K126 HydrophobicContact CD1-CB 3.82Å; F114-K126 HydrophobicContact CD1-CG 4.11Å; F114-K126 VanDerWaalsContact CD2-N 3.25Å; F114-K126 HydrophobicContact CE1-CB 3.65Å; F114-K126 HydrophobicContact CE1-CD 4.03Å; F114-K126 HydrophobicContact CE1-CG 4.03Å; F114-K126 HydrophobicContact CE2-CB 4.36Å; F114-K126 HydrophobicContact CG-CB 4.27Å; F114-K126 HydrophobicContact CZ-CB 3.93Å; K126-N128 VanDerWaalsContact C-N 3.33Å; K126-N128 PolarHBondContact O-N 3.48Å; K126-L129 PolarHBondContact O-N 3.21Å; K126-L130 HydrophobicContact CG-CD1 4.46Å; K126-L130 WeakPolarHBondContact O-CG 3.08Å; K126-L130 PolarHBondContact O-N 3.25Å
127G83.5Confident80.3Confident44 Ų4473.6 Ų73.645%0.45440%0.399SS..Hα-helixtrans-65-30176.900000114.7Q125 R131Q125-G127 VanDerWaalsContact C-N 3.26Å; Q125-G127 PolarHBondContact O-N 3.4Å; G127-R131 WeakPolarHBondContact O-CB 3.48Å; G127-R131 PolarHBondContact O-N 2.78Å; G127-R131 VanDerWaalsContact O-N 3.08Å
128N82.6Confident79.7Confident39 Ų3967.8 Ų67.821%0.20938%0.378CS..Hα-helixtrans-77.8-37.6175.5-69.4-33.3000111.3F123 Q125 K126 R131 H132F123-N128 HydrophobicContact CB-CB 4.33Å; F123-N128 HydrophobicContact CD1-CB 3.99Å; F123-N128 HydrophobicContact CG-CB 4.39Å; Q125-N128 HydrophobicContact CB-CB 4.49Å; Q125-N128 PolarHBondContact O-N 2.86Å; Q125-N128 PolarHBondContact OE1-ND2 3.23Å; Q125-N128 VanDerWaalsContact OE1-ND2 3.14Å; K126-N128 VanDerWaalsContact C-N 3.33Å; K126-N128 PolarHBondContact O-N 3.48Å; N128-R131 PolarHBondContact O-N 3.14Å; N128-R131 PolarHBondContact OD1-NH1 3.4Å; N128-R131 VanDerWaalsContact OD1-NH1 3.16Å; N128-R131 PolarHBondContact OD1-NH2 2.88Å; N128-H132 WeakPolarHBondContact O-CB 3.17Å; N128-H132 PolarHBondContact O-N 3.46Å
129L84.6Confident79.4Confident3 Ų366 Ų662%0.01637%0.369CS..Hα-helixtrans-60-48.5169.8173.462.4000111.4L99 F114 H115 C116 F123 Q125 K126 R131 H132 I133L99-L129 HydrophobicContact CD1-CD2 4.19Å; F114-L129 HydrophobicContact CB-CB 3.93Å; F114-L129 HydrophobicContact CB-CD2 3.82Å; F114-L129 HydrophobicContact CB-CG 4.48Å; H115-L129 WeakPolarHBondContact O-CD1 3.36Å; H115-L129 WeakPolarHBondContact O-CD2 3.43Å; C116-L129 HydrophobicContact CB-CD1 3.69Å; F123-L129 HydrophobicContact CB-CB 4.4Å; F123-L129 HydrophobicContact CD2-CB 3.93Å; F123-L129 HydrophobicContact CD2-CD1 3.88Å; F123-L129 HydrophobicContact CE2-CD1 4.06Å; F123-L129 HydrophobicContact CG-CB 4.36Å; Q125-L129 PolarHBondContact O-N 2.04Å; K126-L129 PolarHBondContact O-N 3.21Å; L129-R131 VanDerWaalsContact C-N 3.33Å; L129-R131 PolarHBondContact O-N 2.96Å; L129-H132 CarbonylContact O-C 3.58Å; L129-H132 WeakPolarHBondContact O-CA 2.99Å; L129-H132 WeakPolarHBondContact O-CB 3.4Å; L129-H132 PolarHBondContact O-N 2.78Å; L129-I133 HydrophobicContact CD1-CD1 3.9Å; L129-I133 HydrophobicContact CD1-CG1 4.06Å; L129-I133 HydrophobicContact CD2-CD1 4.47Å; L129-I133 HydrophobicContact CG-CD1 3.86Å; L129-I133 HydrophobicContact CG-CG1 4.44Å; L129-I133 WeakPolarHBondContact O-CG1 3.38Å; L129-I133 PolarHBondContact O-N 2.99Å
130L82.5Confident79.3Confident82 Ų8268.4 Ų68.443%0.42937%0.372SS..Hα-helixtrans-61.7-39.2178.6-70.1171.2000112.3K126 H132 I133 K134K126-L130 HydrophobicContact CG-CD1 4.46Å; K126-L130 WeakPolarHBondContact O-CG 3.08Å; K126-L130 PolarHBondContact O-N 3.25Å; L130-H132 VanDerWaalsContact C-N 3.32Å; L130-I133 PolarHBondContact O-N 3.3Å; L130-K134 PolarHBondContact O-N 2.8Å
131R78.8Confident79.3Confident138 Ų13870.1 Ų70.152%0.52137%0.374SS..Hα-helixtrans-63.2-37.9172.5-170.8-168.7-57.7153.17.2112.1G127 N128 L129G127-R131 WeakPolarHBondContact O-CB 3.48Å; G127-R131 PolarHBondContact O-N 2.78Å; G127-R131 VanDerWaalsContact O-N 3.08Å; N128-R131 PolarHBondContact O-N 3.14Å; N128-R131 PolarHBondContact OD1-NH1 3.4Å; N128-R131 VanDerWaalsContact OD1-NH1 3.16Å; N128-R131 PolarHBondContact OD1-NH2 2.88Å; L129-R131 VanDerWaalsContact C-N 3.33Å; L129-R131 PolarHBondContact O-N 2.96Å
132H82.9Confident79.5Confident29 Ų2971.5 Ų71.513%0.13437%0.374CS..Hα-helixtrans-71.3-38.7177.5167.880.8000112.6C116 C119 F123 N128 L129 L130 K134 L135 H136C116-H132 VanDerWaalsContact SG-CD2 3.53Å; C116-H132 PolarHBondContact SG-NE2 2.85Å; C116-H132 VanDerWaalsContact SG-NE2 3.35Å; C119-H132 VanDerWaalsContact SG-CE1 3.58Å; C119-H132 PolarHBondContact SG-NE2 3.01Å; F123-H132 HydrophobicContact CE1-CB 4.14Å; F123-H132 HydrophobicContact CE2-CB 3.87Å; F123-H132 AromaticContact CE2-CD2 3.6Å; F123-H132 AromaticContact CE2-CG 3.64Å; F123-H132 HydrophobicContact CZ-CB 3.5Å; F123-H132 VanDerWaalsContact CZ-CB 3.5Å; F123-H132 AromaticContact CZ-CD2 3.76Å; F123-H132 AromaticContact CZ-CG 3.34Å; F123-H132 AromaticContact CZ-ND1 3.66Å; N128-H132 WeakPolarHBondContact O-CB 3.17Å; N128-H132 PolarHBondContact O-N 3.46Å; L129-H132 CarbonylContact O-C 3.58Å; L129-H132 WeakPolarHBondContact O-CA 2.99Å; L129-H132 WeakPolarHBondContact O-CB 3.4Å; L129-H132 PolarHBondContact O-N 2.78Å; L130-H132 VanDerWaalsContact C-N 3.32Å; H132-K134 VanDerWaalsContact C-N 3.27Å; H132-K134 PolarHBondContact O-N 3.49Å; H132-L135 WeakPolarHBondContact O-CA 3.45Å; H132-L135 WeakPolarHBondContact O-CB 3.35Å; H132-L135 WeakPolarHBondContact O-CG 3.25Å; H132-L135 PolarHBondContact O-N 3.34Å; H132-H136 AromaticContact CD2-NE2 3.36Å; H132-H136 PolarHBondContact CD2-NE2 2.9Å; H132-H136 AromaticContact CE1-NE2 3.24Å; H132-H136 PolarHBondContact CE1-NE2 3.4Å; H132-H136 AromaticContact NE2-NE2 2.49Å; H132-H136 PolarHBondContact NE2-NE2 3.44Å
133I80.6Confident79.5Confident71 Ų7176.4 Ų76.436%0.36439%0.391SS..Hα-helixtrans-61.6-37.1175.4-68.2165.7000110.9L129 L130 L135 H136 S137L129-I133 HydrophobicContact CD1-CD1 3.9Å; L129-I133 HydrophobicContact CD1-CG1 4.06Å; L129-I133 HydrophobicContact CD2-CD1 4.47Å; L129-I133 HydrophobicContact CG-CD1 3.86Å; L129-I133 HydrophobicContact CG-CG1 4.44Å; L129-I133 WeakPolarHBondContact O-CG1 3.38Å; L129-I133 PolarHBondContact O-N 2.99Å; L130-I133 PolarHBondContact O-N 3.3Å; I133-L135 PolarHBondContact O-N 3.49Å; I133-H136 WeakPolarHBondContact O-CB 3.27Å; I133-H136 PolarHBondContact O-N 3.47Å; I133-S137 PolarHBondContact O-N 3.16Å
134K79.2Confident79.7Confident135 Ų13574.9 Ų74.959%0.58739%0.386SS*.Hα-helixtrans-64.2-3.4169.9-66.9-171.7179-165.80114.5L130 H132 R152L130-K134 PolarHBondContact O-N 2.8Å; H132-K134 VanDerWaalsContact C-N 3.27Å; H132-K134 PolarHBondContact O-N 3.49Å; K134-R152 WeakPolarHBondContact O-CD 3.48Å
135L73.1Confident79.6Confident90 Ų9075.3 Ų75.347%0.47139%0.39SS..Hα-helixtrans-82.6-30.4167.8-55.6178000112.2H132 I133 R152H132-L135 WeakPolarHBondContact O-CA 3.45Å; H132-L135 WeakPolarHBondContact O-CB 3.35Å; H132-L135 WeakPolarHBondContact O-CG 3.25Å; H132-L135 PolarHBondContact O-N 3.34Å; I133-L135 PolarHBondContact O-N 3.49Å; L135-R152 PolarHBondContact O-NH1 3.31Å
136H75.8Confident79.4Confident75 Ų7576.9 Ų76.935%0.34740%0.395SS..Hα-helixtrans-79.3-31.2-179.5-63.4-54.6000113.1C116 Q118 C119 H132 I133 G138C116-H136 PolarHBondContact SG-NE2 2.87Å; Q118-H136 PolarHBondContact OE1-CD2 3.23Å; Q118-H136 VanDerWaalsContact OE1-CG 3.29Å; C119-H136 WeakPolarHBondContact CB-CE1 3.29Å; C119-H136 PolarHBondContact SG-CE1 3.4Å; C119-H136 PolarHBondContact SG-NE2 3.37Å; H132-H136 AromaticContact CD2-NE2 3.36Å; H132-H136 PolarHBondContact CD2-NE2 2.9Å; H132-H136 AromaticContact CE1-NE2 3.24Å; H132-H136 PolarHBondContact CE1-NE2 3.4Å; H132-H136 AromaticContact NE2-NE2 2.49Å; H132-H136 PolarHBondContact NE2-NE2 3.44Å; I133-H136 WeakPolarHBondContact O-CB 3.27Å; I133-H136 PolarHBondContact O-N 3.47Å; H136-G138 PolarHBondContact O-N 2.83Å; H136-G138 VanDerWaalsContact O-N 3.11Å
137S70.2Confident79.5Confident50 Ų5075.7 Ų75.735%0.3540%0.396SS..THydrogen-bonded Turntrans-68-7.2178.966.60000114.4I133 E139I133-S137 PolarHBondContact O-N 3.16Å; S137-E139 VanDerWaalsContact CB-OE2 3.24Å; S137-E139 WeakPolarHBondContact CB-OE2 3.44Å; S137-E139 PolarHBondContact O-N 3Å; S137-E139 PolarHBondContact OG-OE2 3Å
138G66.8Low79.5Confident40 Ų4078.4 Ų78.441%0.41241%0.408SS..  trans78.7-40.5178.700000114.1H136 R152H136-G138 PolarHBondContact O-N 2.83Å; H136-G138 VanDerWaalsContact O-N 3.11Å; G138-R152 VanDerWaalsContact C-NH2 3.34Å; G138-R152 VanDerWaalsContact CA-NH2 3.31Å; G138-R152 PolarHBondContact O-NE 2.69Å; G138-R152 VanDerWaalsContact O-NE 3.11Å; G138-R152 PolarHBondContact O-NH2 2.89Å
139E70.6Confident79.4Confident95 Ų9580.7 Ų80.744%0.44441%0.414SS..  trans-39.5139.2-174.7-65.5157.8157.300115.2S137 R152S137-E139 VanDerWaalsContact CB-OE2 3.24Å; S137-E139 WeakPolarHBondContact CB-OE2 3.44Å; S137-E139 PolarHBondContact O-N 3Å; S137-E139 PolarHBondContact OG-OE2 3Å; E139-R152 WeakPolarHBondContact O-CD 3.47Å; E139-R152 WeakPolarHBondContact O-CG 3.27Å; E139-R152 PolarHBondContact O-NE 3.01Å
140K76.7Confident79.4Confident117 Ų11781.8 Ų81.851%0.50942%0.423SS..  trans-131.973.1176.1-73.4170.3164.9-171.10109.7F142 A150 C151 R152K140-F142 VanDerWaalsContact C-N 3.29Å; K140-F142 PolarHBondContact O-N 3.46Å; K140-A150 HydrophobicContact CB-CB 3.89Å; K140-A150 HydrophobicContact CD-CB 4.33Å; K140-A150 WeakPolarHBondContact CD-O 3.31Å; K140-C151 CarbonylContact C-O 3.57Å; K140-C151 WeakPolarHBondContact CA-O 3.5Å; K140-R152 HydrophobicContact CG-CG 4.1Å
141P77.4Confident79.4Confident91 Ų9178.4 Ų78.459%0.59141%0.406SS*.  trans-67-26.2-173.324.6-33.5000113.7K143P141-K143 PolarHBondContact O-N 3.14Å
142F83.3Confident79.5Confident59 Ų5975.8 Ų75.826%0.25940%0.397SS..EExtended strand (participates in β ladder)trans-9197.9-177.6-57.3-77.7000110.3K140 A150 C151 R153 R154 L157K140-F142 VanDerWaalsContact C-N 3.29Å; K140-F142 PolarHBondContact O-N 3.46Å; F142-A150 CarbonylContact O-C 3.53Å; F142-A150 WeakPolarHBondContact O-CA 3.36Å; F142-C151 PolarHBondContact N-O 2.96Å; F142-C151 VanDerWaalsContact N-O 3.17Å; F142-C151 PolarHBondContact O-N 3.45Å; F142-R153 VanDerWaalsContact CD2-C 3.42Å; F142-R154 HydrophobicContact CD1-CB 4.08Å; F142-R154 HydrophobicContact CE1-CB 3.76Å; F142-R154 HydrophobicContact CE1-CG 4.37Å; F142-R154 HydrophobicContact CZ-CB 4.08Å; F142-L157 HydrophobicContact CB-CB 4.1Å; F142-L157 HydrophobicContact CB-CD2 3.98Å
143K84.3Confident79.3Confident137 Ų13779.9 Ų79.960%0.59641%0.411SS*.EExtended strand (participates in β ladder)trans-95147.4177.8-60.4173.6-173.9166.90110.7P141 A150 L157P141-K143 PolarHBondContact O-N 3.14Å; K143-A150 HydrophobicContact CG-CB 4Å; K143-L157 WeakPolarHBondContact O-CD2 3.32Å
144C87.2Confident79.4Confident12 Ų1285 Ų858%0.08143%0.426CS..  trans-80.5135.7169.8-172.30000110.3F146 C147 Y149 L157 H160C144-F146 VanDerWaalsContact C-N 3.31Å; C144-F146 PolarHBondContact SG-N 3.16Å; C144-C147 VanDerWaalsContact O-O 3.06Å; C144-Y149 WeakPolarHBondContact CB-O 3.39Å; C144-Y149 PolarHBondContact N-O 3.02Å; C144-L157 HydrophobicContact CB-CD1 4.02Å; C144-H160 PolarHBondContact SG-NE2 3.36Å; C144-H160 VanDerWaalsContact SG-NE2 3.44Å
145P83.7Confident79.6Confident85 Ų8582.8 Ų82.855%0.55242%0.42SS*.SBendtrans-73.7-23.4173.830-34000112.5L161P145-L161 HydrophobicContact CG-CD2 4.38Å
146F81.2Confident80.1Confident146 Ų14680 Ų8064%0.6441%0.41SS*.SBendtrans-93.3-15.4-174.4-54.3-60.7000114.4C144 L161 H164C144-F146 VanDerWaalsContact C-N 3.31Å; C144-F146 PolarHBondContact SG-N 3.16Å; F146-L161 HydrophobicContact CD2-CD2 3.96Å; F146-L161 HydrophobicContact CE2-CD2 3.99Å; F146-H164 HydrophobicContact CD2-CB 3.99Å; F146-H164 HydrophobicContact CG-CB 4.45Å
147C85.4Confident80.6Confident51 Ų5176.6 Ų76.635%0.34539%0.394SS..SBendtrans-160.4171.7177.474.70000112.8C144 Y149 H160 H164C144-C147 VanDerWaalsContact O-O 3.06Å; C147-Y149 PolarHBondContact O-N 2.7Å; C147-H160 PolarHBondContact SG-NE2 3.45Å; C147-H160 VanDerWaalsContact SG-NE2 3.36Å; C147-H164 VanDerWaalsContact SG-CE1 3.57Å
148S82.1Confident81.5Confident101 Ų10177.6 Ų77.671%0.70640%0.398SS*.SBendtrans-69.215.8179.854.60000116.1R405S148-R405 PolarHBondContact OG-NH2 2.86Å
149Y81.9Confident82.4Confident88 Ų8877.6 Ų77.635%0.34540%0.398SS..  trans-73.8133.2173.6-178.7-96000111.2C144 C147 C151 H160C144-Y149 WeakPolarHBondContact CB-O 3.39Å; C144-Y149 PolarHBondContact N-O 3.02Å; C147-Y149 PolarHBondContact O-N 2.7Å; Y149-C151 HydrophobicContact CE1-CB 3.73Å; Y149-H160 WeakPolarHBondContact CB-NE2 3.49Å; Y149-H160 HydrophobicContact CD1-CB 4.07Å; Y149-H160 AromaticContact CD1-CD2 3.26Å; Y149-H160 WeakPolarHBondContact CD1-CD2 3.45Å; Y149-H160 AromaticContact CD1-CG 3.51Å; Y149-H160 AromaticContact CD1-NE2 3.69Å; Y149-H160 HydrophobicContact CE1-CB 3.78Å; Y149-H160 AromaticContact CE1-CD2 3.91Å; Y149-H160 AromaticContact CE1-CG 3.72Å; Y149-H160 AromaticContact CG-CD2 3.73Å; Y149-H160 AromaticContact CG-CE1 3.85Å; Y149-H160 AromaticContact CG-CG 3.98Å; Y149-H160 AromaticContact CG-NE2 3.64Å
150A83.8Confident83.2Confident25 Ų2574.5 Ų74.521%0.20738%0.384CS..EExtended strand (participates in β ladder)trans-142.2139.3173.600000110.9K140 F142 K143K140-A150 HydrophobicContact CB-CB 3.89Å; K140-A150 HydrophobicContact CD-CB 4.33Å; K140-A150 WeakPolarHBondContact CD-O 3.31Å; F142-A150 CarbonylContact O-C 3.53Å; F142-A150 WeakPolarHBondContact O-CA 3.36Å; K143-A150 HydrophobicContact CG-CB 4Å
151C82.3Confident83.6Confident11 Ų1171.2 Ų71.27%0.07437%0.372CS..EExtended strand (participates in β ladder)trans-138.6175.4-174.870.90000112.5K140 F142 Y149 R153 A156K140-C151 CarbonylContact C-O 3.57Å; K140-C151 WeakPolarHBondContact CA-O 3.5Å; F142-C151 PolarHBondContact N-O 2.96Å; F142-C151 VanDerWaalsContact N-O 3.17Å; F142-C151 PolarHBondContact O-N 3.45Å; Y149-C151 HydrophobicContact CE1-CB 3.73Å; C151-R153 PolarHBondContact SG-O 3.05Å; C151-A156 HydrophobicContact CB-CB 4.4Å
152R81.3Confident84Confident84 Ų8476 Ų7632%0.31738%0.378SS..SBendtrans-99.5-0.4-172.8-49.2-153.5175123.3-5.4114.6K134 L135 G138 E139 K140K134-R152 WeakPolarHBondContact O-CD 3.48Å; L135-R152 PolarHBondContact O-NH1 3.31Å; G138-R152 VanDerWaalsContact C-NH2 3.34Å; G138-R152 VanDerWaalsContact CA-NH2 3.31Å; G138-R152 PolarHBondContact O-NE 2.69Å; G138-R152 VanDerWaalsContact O-NE 3.11Å; G138-R152 PolarHBondContact O-NH2 2.89Å; E139-R152 WeakPolarHBondContact O-CD 3.47Å; E139-R152 WeakPolarHBondContact O-CG 3.27Å; E139-R152 PolarHBondContact O-NE 3.01Å; K140-R152 HydrophobicContact CG-CG 4.1Å
153R79.1Confident83.9Confident114 Ų11477.5 Ų77.543%0.4339%0.392SS..  trans-140.3140.8-178.1-39.3-161.7-45.2-131.112.3111.8F142 C151 D155 A156 L157F142-R153 VanDerWaalsContact CD2-C 3.42Å; C151-R153 PolarHBondContact SG-O 3.05Å; R153-D155 WeakPolarHBondContact CB-OD1 3.38Å; R153-D155 IonicContact CZ-OD1 2.82Å; R153-D155 IonicContact CZ-OD2 2.78Å; R153-D155 IonicContact NE-OD1 3.6Å; R153-D155 PolarHBondContact NE-OD1 2.75Å; R153-D155 IonicContact NE-OD2 3.4Å; R153-D155 PolarHBondContact NE-OD2 2.69Å; R153-D155 IonicContact NH2-OD1 3.54Å; R153-D155 IonicContact NH2-OD2 2.68Å; R153-D155 PolarHBondContact NH2-OD2 3Å; R153-D155 PolarHBondContact O-N 3.02Å; R153-A156 HydrophobicContact CB-CB 4.21Å; R153-A156 PolarHBondContact O-N 3Å; R153-L157 PolarHBondContact O-N 2.92Å
154R82Confident83.7Confident180 Ų18074.3 Ų74.368%0.67938%0.379SS*.Hα-helixtrans-59.4-43.1177.5-174.1-179.4-75.6164.2-6.1112.4F142 A156 L157 T158F142-R154 HydrophobicContact CD1-CB 4.08Å; F142-R154 HydrophobicContact CE1-CB 3.76Å; F142-R154 HydrophobicContact CE1-CG 4.37Å; F142-R154 HydrophobicContact CZ-CB 4.08Å; R154-A156 PolarHBondContact O-N 3.49Å; R154-L157 CarbonylContact O-C 3.48Å; R154-L157 WeakPolarHBondContact O-CA 3.49Å; R154-L157 WeakPolarHBondContact O-CB 3.37Å; R154-L157 PolarHBondContact O-N 3.47Å; R154-L157 VanDerWaalsContact O-N 3.1Å; R154-T158 PolarHBondContact O-N 2.95Å; R154-T158 PolarHBondContact O-OG1 2.78Å; R154-T158 VanDerWaalsContact O-OG1 3.08Å
155D83.6Confident83.1Confident88 Ų8877.2 Ų77.247%0.47140%0.4SS..Hα-helixtrans-64.2-37179.364.6-27.3000113.1R153 L157 T158 G159R153-D155 WeakPolarHBondContact CB-OD1 3.38Å; R153-D155 IonicContact CZ-OD1 2.82Å; R153-D155 IonicContact CZ-OD2 2.78Å; R153-D155 IonicContact NE-OD1 3.6Å; R153-D155 PolarHBondContact NE-OD1 2.75Å; R153-D155 IonicContact NE-OD2 3.4Å; R153-D155 PolarHBondContact NE-OD2 2.69Å; R153-D155 IonicContact NH2-OD1 3.54Å; R153-D155 IonicContact NH2-OD2 2.68Å; R153-D155 PolarHBondContact NH2-OD2 3Å; R153-D155 PolarHBondContact O-N 3.02Å; D155-L157 VanDerWaalsContact C-N 3.32Å; D155-T158 PolarHBondContact O-N 3.41Å; D155-G159 PolarHBondContact O-N 3.04Å
156A83.6Confident81.7Confident31 Ų3179.4 Ų79.426%0.25641%0.411SS..Hα-helixtrans-66.4-33.1172.300000112.2C151 R153 R154 H160C151-A156 HydrophobicContact CB-CB 4.4Å; R153-A156 HydrophobicContact CB-CB 4.21Å; R153-A156 PolarHBondContact O-N 3Å; R154-A156 PolarHBondContact O-N 3.49Å; A156-H160 WeakPolarHBondContact O-CB 3.26Å; A156-H160 PolarHBondContact O-N 2.96Å; A156-H160 VanDerWaalsContact O-N 3.15Å
157L87.3Confident80.3Confident4 Ų476.9 Ų76.92%0.02141%0.409CS..Hα-helixtrans-69.6-45.6169.5178.561000111.2L84 F142 K143 C144 R153 R154 D155 G159 H160 L161L84-L157 HydrophobicContact CD1-CD2 4.33Å; F142-L157 HydrophobicContact CB-CB 4.1Å; F142-L157 HydrophobicContact CB-CD2 3.98Å; K143-L157 WeakPolarHBondContact O-CD2 3.32Å; C144-L157 HydrophobicContact CB-CD1 4.02Å; R153-L157 PolarHBondContact O-N 2.92Å; R154-L157 CarbonylContact O-C 3.48Å; R154-L157 WeakPolarHBondContact O-CA 3.49Å; R154-L157 WeakPolarHBondContact O-CB 3.37Å; R154-L157 PolarHBondContact O-N 3.47Å; R154-L157 VanDerWaalsContact O-N 3.1Å; D155-L157 VanDerWaalsContact C-N 3.32Å; L157-G159 VanDerWaalsContact C-N 3.3Å; L157-G159 PolarHBondContact O-N 3.09Å; L157-H160 CarbonylContact O-C 3.59Å; L157-H160 WeakPolarHBondContact O-CA 3.24Å; L157-H160 WeakPolarHBondContact O-CB 3.46Å; L157-H160 PolarHBondContact O-N 3Å; L157-L161 HydrophobicContact CD1-CD2 4.41Å; L157-L161 HydrophobicContact CD1-CG 4.2Å; L157-L161 HydrophobicContact CG-CD1 4.24Å; L157-L161 HydrophobicContact CG-CG 4.29Å; L157-L161 WeakPolarHBondContact O-CG 3.37Å; L157-L161 PolarHBondContact O-N 3.06Å
158T88Confident78.4Confident70 Ų7079.4 Ų79.443%0.42943%0.425SS..Hα-helixtrans-57.8-41.6177.1-53.60000112.1R154 D155 L161R154-T158 PolarHBondContact O-N 2.95Å; R154-T158 PolarHBondContact O-OG1 2.78Å; R154-T158 VanDerWaalsContact O-OG1 3.08Å; D155-T158 PolarHBondContact O-N 3.41Å; T158-L161 PolarHBondContact O-N 2.99Å
159G85.5Confident76.3Confident40 Ų4083.4 Ų83.441%0.41244%0.435SS..Hα-helixtrans-63.5-39.8172.700000112.9D155 L157 R162D155-G159 PolarHBondContact O-N 3.04Å; L157-G159 VanDerWaalsContact C-N 3.3Å; L157-G159 PolarHBondContact O-N 3.09Å; G159-R162 WeakPolarHBondContact O-CB 3.47Å; G159-R162 PolarHBondContact O-N 3.43Å
160H87.4Confident74.3Confident30 Ų3087.2 Ų87.214%0.13946%0.456CS..Hα-helixtrans-69.6-35.3175.9174.563.6000113.6C144 C147 Y149 A156 L157 R162 T163 H164C144-H160 PolarHBondContact SG-NE2 3.36Å; C144-H160 VanDerWaalsContact SG-NE2 3.44Å; C147-H160 PolarHBondContact SG-NE2 3.45Å; C147-H160 VanDerWaalsContact SG-NE2 3.36Å; Y149-H160 WeakPolarHBondContact CB-NE2 3.49Å; Y149-H160 HydrophobicContact CD1-CB 4.07Å; Y149-H160 AromaticContact CD1-CD2 3.26Å; Y149-H160 WeakPolarHBondContact CD1-CD2 3.45Å; Y149-H160 AromaticContact CD1-CG 3.51Å; Y149-H160 AromaticContact CD1-NE2 3.69Å; Y149-H160 HydrophobicContact CE1-CB 3.78Å; Y149-H160 AromaticContact CE1-CD2 3.91Å; Y149-H160 AromaticContact CE1-CG 3.72Å; Y149-H160 AromaticContact CG-CD2 3.73Å; Y149-H160 AromaticContact CG-CE1 3.85Å; Y149-H160 AromaticContact CG-CG 3.98Å; Y149-H160 AromaticContact CG-NE2 3.64Å; A156-H160 WeakPolarHBondContact O-CB 3.26Å; A156-H160 PolarHBondContact O-N 2.96Å; A156-H160 VanDerWaalsContact O-N 3.15Å; L157-H160 CarbonylContact O-C 3.59Å; L157-H160 WeakPolarHBondContact O-CA 3.24Å; L157-H160 WeakPolarHBondContact O-CB 3.46Å; L157-H160 PolarHBondContact O-N 3Å; H160-R162 PolarHBondContact O-N 3.38Å; H160-T163 PolarHBondContact ND1-OG1 3.48Å; H160-T163 PolarHBondContact O-N 3.42Å; H160-T163 PolarHBondContact O-OG1 3.36Å; H160-H164 AromaticContact CD2-NE2 3.82Å; H160-H164 AromaticContact CE1-NE2 3.25Å; H160-H164 PolarHBondContact CE1-NE2 2.93Å; H160-H164 AromaticContact NE2-CD2 3.72Å; H160-H164 AromaticContact NE2-NE2 2.94Å; H160-H164 PolarHBondContact NE2-NE2 2.96Å
161L84.8Confident72Confident49 Ų4993.2 Ų93.226%0.25748%0.484SS..Hα-helixtrans-59.7-31.1176.4-71.2172.5000111.8P145 F146 L157 T158 T163 H164 S165P145-L161 HydrophobicContact CG-CD2 4.38Å; F146-L161 HydrophobicContact CD2-CD2 3.96Å; F146-L161 HydrophobicContact CE2-CD2 3.99Å; L157-L161 HydrophobicContact CD1-CD2 4.41Å; L157-L161 HydrophobicContact CD1-CG 4.2Å; L157-L161 HydrophobicContact CG-CD1 4.24Å; L157-L161 HydrophobicContact CG-CG 4.29Å; L157-L161 WeakPolarHBondContact O-CG 3.37Å; L157-L161 PolarHBondContact O-N 3.06Å; T158-L161 PolarHBondContact O-N 2.99Å; L161-T163 PolarHBondContact O-N 3.26Å; L161-H164 PolarHBondContact O-N 3.11Å; L161-S165 PolarHBondContact O-N 2.89Å
162R86.3Confident69.5Low190 Ų19098.7 Ų98.772%0.71752%0.521SS*.THydrogen-bonded Turntrans-64.8-16.8172.8-62.7177.7179.3-178.8-2.2114G159 H160G159-R162 WeakPolarHBondContact O-CB 3.47Å; G159-R162 PolarHBondContact O-N 3.43Å; H160-R162 PolarHBondContact O-N 3.38Å
163T80.8Confident67.4Low91 Ų91103.6 Ų103.656%0.55855%0.545SS*.THydrogen-bonded Turntrans-83.9-10.5173.174.80000113.4H160 L161H160-T163 PolarHBondContact ND1-OG1 3.48Å; H160-T163 PolarHBondContact O-N 3.42Å; H160-T163 PolarHBondContact O-OG1 3.36Å; L161-T163 PolarHBondContact O-N 3.26Å
164H79.5Confident65.1Low70 Ų70106.4 Ų106.432%0.32456%0.563SS.*THydrogen-bonded Turntrans-95.1-22.1169.4-61.4-81.8000111.9F146 C147 H160 L161 V166F146-H164 HydrophobicContact CD2-CB 3.99Å; F146-H164 HydrophobicContact CG-CB 4.45Å; C147-H164 VanDerWaalsContact SG-CE1 3.57Å; H160-H164 AromaticContact CD2-NE2 3.82Å; H160-H164 AromaticContact CE1-NE2 3.25Å; H160-H164 PolarHBondContact CE1-NE2 2.93Å; H160-H164 AromaticContact NE2-CD2 3.72Å; H160-H164 AromaticContact NE2-NE2 2.94Å; H160-H164 PolarHBondContact NE2-NE2 2.96Å; L161-H164 PolarHBondContact O-N 3.11Å; H164-V166 PolarHBondContact O-N 3.33Å; H164-V166 VanDerWaalsContact O-N 3.1Å
165S75.5Confident62.7Low74 Ų74106.9 Ų106.952%0.51757%0.573SS.*  trans-72.690.9170.1-177.90000110.8L161 P167L161-S165 PolarHBondContact O-N 2.89Å; S165-P167 WeakPolarHBondContact O-CD 3.36Å
166V55.2Low60.3Low130 Ų130110.4 Ų110.479%0.78859%0.587SS**PPolyproline II helixtrans-64.5116.7153.2-179.80000105.9H164H164-V166 PolarHBondContact O-N 3.33Å; H164-V166 VanDerWaalsContact O-N 3.1Å
167P50.5Low58Low93 Ų93113.6 Ų113.660%0.60461%0.605SS**PPolyproline II helixtrans-63139.2175.727.6-33.4000108.7S165 M169S165-P167 WeakPolarHBondContact O-CD 3.36Å; P167-M169 PolarHBondContact O-N 3.36Å
168P46.4Very low55.5Low104 Ų104121 Ų12168%0.67564%0.643SS**PPolyproline II helixtrans-52.9141.6162.4-21.132.6000109E170P168-E170 HydrophobicContact CB-CG 4.37Å; P168-E170 PolarHBondContact O-N 2.94Å
169M37.3Very low52.7Low186 Ų186125.6 Ų125.692%0.91666%0.661SS**  trans-73.985.1162.7-65.3-136.672.400107.4P167P167-M169 PolarHBondContact O-N 3.36Å
170E39.6Very low50Low168 Ų168131 Ų13179%0.78568%0.681SS**  trans-66.5130.2164.5-62.1-167.914400108P168 C172P168-E170 HydrophobicContact CB-CG 4.37Å; P168-E170 PolarHBondContact O-N 2.94Å; E170-C172 PolarHBondContact O-N 3.21Å
171D37Very low47.5Very low150 Ų150137 Ų13780%0.80271%0.714SS**  trans-55.9131.9-179.1-63.7-69.5000110.7K173D171-K173 VanDerWaalsContact C-N 3.26Å; D171-K173 PolarHBondContact O-N 3.5Å
172C29.4Very low44.9Very low126 Ų126141.7 Ų141.785%0.85174%0.739SS**  trans-64.383.9174.5-70.60000111.1E170 E174E170-C172 PolarHBondContact O-N 3.21Å; C172-E174 VanDerWaalsContact C-N 3.33Å; C172-E174 PolarHBondContact O-N 3.41Å
173K35.6Very low42.2Very low187 Ų187139.9 Ų139.981%0.81374%0.742SS**  trans-73.592.3161.1-76.6-177.81791720108.4D171 Q175D171-K173 VanDerWaalsContact C-N 3.26Å; D171-K173 PolarHBondContact O-N 3.5Å; K173-Q175 PolarHBondContact O-N 3.23Å; K173-Q175 VanDerWaalsContact O-N 3.09Å
174E32.7Very low39.7Very low173 Ų173141 Ų14181%0.80875%0.754SS**  trans-49.2112.4165.5-63.9170.6150.400109.1C172 E176C172-E174 VanDerWaalsContact C-N 3.33Å; C172-E174 PolarHBondContact O-N 3.41Å; E174-E176 PolarHBondContact O-N 3.44Å
175Q30.9Very low37.4Very low190 Ų190144.9 Ų144.989%0.88878%0.776SS**  trans-89.685.4167.8-73.3-169.20.700108.2K173K173-Q175 PolarHBondContact O-N 3.23Å; K173-Q175 VanDerWaalsContact O-N 3.09Å
176E32.8Very low35.1Very low163 Ų163147.9 Ų147.976%0.76279%0.791SS**PPolyproline II helixtrans-56.2140.7164.7-82.1-67.5108.700110.1E174E174-E176 PolarHBondContact O-N 3.44Å
177P34.5Very low34.3Very low97 Ų97147 Ų14763%0.6379%0.788SS**PPolyproline II helixtrans-71.2150.1-172.229-35.3000112.7M179P177-M179 PolarHBondContact O-N 2.95Å
178I34.7Very low33.1Very low161 Ų161152.5 Ų152.583%0.82680%0.803SS**PPolyproline II helixtrans-65.2121.7176.7-57.7171.8000109.5
179M31Very low32.2Very low165 Ų165155.9 Ų155.981%0.81381%0.81SS**  trans-127.8126.1165.8-60.9-160-61.300109.1P177P177-M179 PolarHBondContact O-N 2.95Å
180D29Very low31.9Very low154 Ų154158.4 Ų158.482%0.82481%0.809SS**  trans-71143.2-172.1-78.1-60.2000113.7N182D180-N182 PolarHBondContact O-N 3.09Å
181N33.2Very low31.5Very low155 Ų155156.4 Ų156.483%0.82981%0.81SS**  trans-62.6130-175.9-76.2-75.1000113
182N31.5Very low31.1Very low149 Ų149153.8 Ų153.880%0.79781%0.81SS**  trans-147.6117.8150.8-101.8-60.1000113.6D180D180-N182 PolarHBondContact O-N 3.09Å
183I30Very low31.1Very low151 Ų151154.1 Ų154.177%0.77481%0.808SS**  trans76.292.6151.8-50174.6000118.5
184S27.8Very low30.8Very low114 Ų114152.6 Ų152.680%0.79781%0.807SS**  70.7128.2129-152.80000123.1
185L31.5Very low30.8Very low152 Ų152152.6 Ų152.680%0.79681%0.807SS**  trans-55.4160.4152.4-57.7164.8000110.3
186V27.4Very low31.1Very low137 Ų137152.6 Ų152.683%0.8380%0.804SS**  cis-146.8173.547.2-107.10000111.9
187P37.9Very low31Very low113 Ų113153 Ų15373%0.73481%0.81SS**  trans-98.7170.3-148.338.7-37.2000115.9
188F24.3Very low31Very low207 Ų207155 Ų15591%0.90882%0.821SS**  trans-135161.4162.1-126-93.6000112.2
189E28.7Very low30.8Very low176 Ų176151.3 Ų151.382%0.82281%0.814SS**PPolyproline II helixtrans-82.5158.5-158.3-59.9-178.2123.400115.5P191E189-P191 WeakPolarHBondContact O-CD 3.36Å
190R29.7Very low31.1Very low239 Ų239151.1 Ų151.190%0.90282%0.817SS**PPolyproline II helixtrans-91116.1179-176.5-176.6-166.1155.84.9110.5A192R190-A192 PolarHBondContact O-N 3.05Å
191P31.8Very low31.4Very low125 Ų125152.8 Ų152.881%0.81282%0.822SS**PPolyproline II helixtrans-65.2132.7172.9-20.433.5000111.3E189E189-P191 WeakPolarHBondContact O-CD 3.36Å
192A29.3Very low31.3Very low96 Ų96148.7 Ų148.779%0.79382%0.816SS**PPolyproline II helixtrans-90.8147.9165.700000110.1R190R190-A192 PolarHBondContact O-N 3.05Å
193V27.9Very low31.6Very low133 Ų133151.3 Ų151.381%0.80682%0.82SS**  trans-162.2136.8152125.20000109.8
194I29.3Very low31.8Very low155 Ų155155.9 Ų155.980%0.79583%0.828SS**  trans60.967.7177.9-54.8153.9000114.9
195E33.1Very low32.1Very low172 Ų172160.3 Ų160.380%0.80483%0.833SS**  trans-77.1127.7131.4176.3-172.9-137.200107.9
196K37.3Very low32.3Very low191 Ų191159 Ų15983%0.8384%0.836SS**  trans174.497.8155.7-100.7156.2-173175.20111.7
197L31.2Very low32.4Very low170 Ų170158.1 Ų158.189%0.8984%0.836SS**SBendtrans-1763.8140.2-104.7169.4000114.9A199L197-A199 PolarHBondContact O-N 3.09Å
198T33.8Very low32.3Very low139 Ų139158.9 Ų158.985%0.85384%0.839SS**  trans-98.849.8177.844.50000113.2
199A32.3Very low32.7Very low84 Ų84155.2 Ų155.269%0.69484%0.836SS**  trans-132.664.1-176.500000113.3L197L197-A199 PolarHBondContact O-N 3.09Å
200N35.8Very low32.9Very low161 Ų161155.2 Ų155.286%0.86184%0.836SS**SBendtrans-172.892.7150.7-98.1-28.2000112.7
201M34.8Very low33.4Very low190 Ų190153.2 Ų153.294%0.93683%0.834SS**  178.481.8129.7-94.7-54.9174.800109.2
202G32.4Very low33.1Very low68 Ų68156.5 Ų156.570%0.70184%0.836SS**  trans-79.8132.3-17800000113.6
203K37.3Very low33.4Very low204 Ų204158.5 Ų158.589%0.88784%0.838SS**  trans63.3101.7143.8-49.8169.5-172176.20117.5
204R34.3Very low33.5Very low247 Ų247155.6 Ų155.693%0.93284%0.835SS**  trans-132.8103138-71.4-163-177.7-166.22.6112.1
205K34.7Very low34Very low207 Ų207157.5 Ų157.590%0.984%0.84SS**  trans14.8140.3152.1-56.3-178.3-179.3-177.50119.7
206S34.8Very low33.9Very low125 Ų125159.1 Ų159.187%0.87485%0.845SS**  trans-64.4152.3169.445.60000114.6
207S29.5Very low33.9Very low119 Ų119157.4 Ų157.483%0.83284%0.844SS**  trans-144.7157.8155.655.10000109.7
208T37.2Very low33.6Very low129 Ų129156.8 Ų156.879%0.79184%0.838SS**  trans-76.2158.3-175.3270000113.3Q210T208-Q210 PolarHBondContact O-N 2.86Å
209P32.3Very low33.7Very low129 Ų129161 Ų16184%0.83884%0.839SS**  trans-71.8114.2-177.628.8-34.7000111.7
210Q31.9Very low33.4Very low177 Ų177166.1 Ų166.183%0.82785%0.845SS**  trans-95.9114.2174-173.8168.1-4.500110.3T208T208-Q210 PolarHBondContact O-N 2.86Å
211K40.3Very low33.2Very low197 Ų197163.7 Ų163.786%0.85784%0.841SS**  trans-65.1138.3169.5-68.6-179.3176.6-179.10110
212F26.4Very low33.1Very low193 Ų193164.7 Ų164.785%0.84684%0.836SS**  trans-146153.7152.1-131.8-91.5000111
213V35.9Very low33.4Very low139 Ų139166.7 Ų166.784%0.84284%0.837SS**  trans-116.3137.7178.9175.60000107.9
214G29.4Very low33.5Very low72 Ų72164.4 Ų164.474%0.74283%0.834SS**  trans169.9119.1172.900000113
215E40.1Very low33.5Very low195 Ų195159.2 Ų159.291%0.91182%0.823SS**  trans-69.3142.6165.2-58.4165.3103.700110
216K31.2Very low33.6Very low206 Ų206158.6 Ų158.690%0.89682%0.823SS**  trans-161.5128.9135.8-115.7163.8-172.1175.60113.6
217L37.2Very low33.6Very low155 Ų155161.1 Ų161.181%0.81282%0.819SS**  trans-63.2131.8169.3176.770.9000110.9
218M23.9Very low34.2Very low157 Ų157160.9 Ų160.977%0.77381%0.808SS**  trans-142.1125.5159.2-86.5-63.1-123.500110F220M218-F220 HydrophobicContact CE-CE2 4Å
219R36.1Very low34.7Very low228 Ų228160.7 Ų160.786%0.8680%0.8SS**  trans-90139.4162.4-76.9177.4168.5167-5.3108.6
220F25.7Very low35.5Very low190 Ų190159.4 Ų159.483%0.83379%0.786SS**  trans-142.9157151.5-92.6-73.3000110.2M218M218-F220 HydrophobicContact CE-CE2 4Å
221S31.2Very low36.1Very low111 Ų111155.7 Ų155.778%0.77677%0.771SS**  trans-94.1165.6-168.247.20000113.9
222Y32.8Very low36.7Very low210 Ų210150.3 Ų150.382%0.82476%0.755SS**  trans-57.3160.6178.7-92.7-104.8000115.1
223P39.6Very low37.9Very low110 Ų110148.3 Ų148.371%0.71474%0.743SS**  -111.8148128.69.610.2000111.1
224D40.1Very low38.8Very low156 Ų156146.4 Ų146.483%0.83473%0.725SS**  trans-71139.4-170.8-50.4-87.9000114.2
225I32.8Very low40.2Very low138 Ų138148.9 Ų148.971%0.70872%0.715SS**  trans-131.5114164.1-56.4178.9000107.6F227I225-F227 HydrophobicContact CG2-CD2 3.74Å; I225-F227 HydrophobicContact CG2-CE2 3.89Å; I225-F227 PolarHBondContact O-N 2.95Å; I225-F227 VanDerWaalsContact O-N 3.12Å
226H37.9Very low40.8Very low194 Ų194145.6 Ų145.690%0.89870%0.7SS**  trans-74.498.8172.2-125.2-85.3000109
227F33.3Very low42.2Very low179 Ų179137.3 Ų137.379%0.78567%0.67SS**  trans-87.2110.9163.7-99.7-89.2000108.5I225 M229I225-F227 HydrophobicContact CG2-CD2 3.74Å; I225-F227 HydrophobicContact CG2-CE2 3.89Å; I225-F227 PolarHBondContact O-N 2.95Å; I225-F227 VanDerWaalsContact O-N 3.12Å; F227-M229 PolarHBondContact O-N 3.07Å
228D44Very low43.5Very low114 Ų114136.2 Ų136.261%0.6166%0.661SS**  trans-7896.4172.9-170.3-10000109N230D228-N230 PolarHBondContact OD1-N 3.29Å
229M46Very low45.6Very low125 Ų125134.5 Ų134.562%0.61665%0.654SS**  trans-90.2-8.1-172.7-143.5-148.780.200113.7F227F227-M229 PolarHBondContact O-N 3.07Å
230N48.9Very low46.9Very low101 Ų101129.6 Ų129.654%0.5464%0.643SS.*Hα-helixtrans-78.7-42.4-174-71.711.8000111.7D228 T232 Y233 E234D228-N230 PolarHBondContact OD1-N 3.29Å; N230-T232 PolarHBondContact O-N 2.96Å; N230-T232 VanDerWaalsContact O-N 3.13Å; N230-Y233 PolarHBondContact O-N 3.08Å; N230-E234 WeakPolarHBondContact O-CB 3.27Å; N230-E234 WeakPolarHBondContact O-CG 3.27Å; N230-E234 PolarHBondContact O-N 3.21Å
231L45.6Very low48.9Very low100 Ų100125 Ų12552%0.52462%0.624SS.*Hα-helixtrans-68.1-17.6-167.7-148.280.9000115.2K235L231-K235 WeakPolarHBondContact O-CD 3.41Å
232T52.8Low50.7Low84 Ų84122.3 Ų122.352%0.51561%0.605SS.*Hα-helixtrans-87.7-46.8167.620.30000111.6N230 E234 K235 E236N230-T232 PolarHBondContact O-N 2.96Å; N230-T232 VanDerWaalsContact O-N 3.13Å; T232-E234 VanDerWaalsContact C-N 3.34Å; T232-E234 PolarHBondContact O-N 2.89Å; T232-K235 PolarHBondContact O-N 2.93Å; T232-K235 VanDerWaalsContact O-N 3.16Å; T232-E236 WeakPolarHBondContact O-CG 3.47Å; T232-E236 PolarHBondContact O-N 3.45Å
233Y52.4Low52.7Low151 Ų151117.7 Ų117.759%0.59259%0.59SS**Hα-helixtrans-61.6-40.9-178-175.9-99.7000112.5N230 K235 E236 A237N230-Y233 PolarHBondContact O-N 3.08Å; Y233-K235 VanDerWaalsContact C-N 3.34Å; Y233-K235 PolarHBondContact O-N 3.32Å; Y233-E236 PolarHBondContact O-N 3.11Å; Y233-A237 VanDerWaalsContact O-CB 3.29Å; Y233-A237 WeakPolarHBondContact O-CB 3.08Å; Y233-A237 PolarHBondContact O-N 2.89Å
234E54Low54Low98 Ų98116.7 Ų116.746%0.45858%0.577SS.*Hα-helixtrans-60.1-42.4175.5-71.8168.617800111.4N230 T232 A237 E238N230-E234 WeakPolarHBondContact O-CB 3.27Å; N230-E234 WeakPolarHBondContact O-CG 3.27Å; N230-E234 PolarHBondContact O-N 3.21Å; T232-E234 VanDerWaalsContact C-N 3.34Å; T232-E234 PolarHBondContact O-N 2.89Å; E234-A237 PolarHBondContact O-N 3.11Å; E234-E238 WeakPolarHBondContact O-CB 3.13Å; E234-E238 WeakPolarHBondContact O-CG 3.33Å; E234-E238 PolarHBondContact O-N 3.36Å
235K58.3Low55.6Low124 Ų124110 Ų11054%0.53954%0.541SS..Hα-helixtrans-73.2-35178.5-69.7177.9-176.3168.70113.5L231 T232 Y233 A237 L239L231-K235 WeakPolarHBondContact O-CD 3.41Å; T232-K235 PolarHBondContact O-N 2.93Å; T232-K235 VanDerWaalsContact O-N 3.16Å; Y233-K235 VanDerWaalsContact C-N 3.34Å; Y233-K235 PolarHBondContact O-N 3.32Å; K235-A237 VanDerWaalsContact C-N 3.34Å; K235-L239 VanDerWaalsContact O-CB 3.27Å; K235-L239 WeakPolarHBondContact O-CB 3.37Å; K235-L239 PolarHBondContact O-N 3.24Å
236E52.1Low57.6Low126 Ų126108 Ų10859%0.58953%0.532SS*.Hα-helixtrans-68.5-36.5173.7-73172.3-173.700110.7T232 Y233 M240T232-E236 WeakPolarHBondContact O-CG 3.47Å; T232-E236 PolarHBondContact O-N 3.45Å; Y233-E236 PolarHBondContact O-N 3.11Å; E236-M240 VanDerWaalsContact O-CB 3.26Å; E236-M240 WeakPolarHBondContact O-CB 3.34Å; E236-M240 PolarHBondContact O-N 3.16Å
237A61.8Low59.3Low33 Ų33103.1 Ų103.127%0.27351%0.51SS..Hα-helixtrans-67.7-44.9171.700000112.5Y233 E234 K235 L239 M240 Q241Y233-A237 VanDerWaalsContact O-CB 3.29Å; Y233-A237 WeakPolarHBondContact O-CB 3.08Å; Y233-A237 PolarHBondContact O-N 2.89Å; E234-A237 PolarHBondContact O-N 3.11Å; K235-A237 VanDerWaalsContact C-N 3.34Å; A237-L239 PolarHBondContact O-N 2.79Å; A237-M240 PolarHBondContact O-N 3.11Å; A237-Q241 VanDerWaalsContact O-CB 3.27Å; A237-Q241 WeakPolarHBondContact O-CB 3.49Å; A237-Q241 PolarHBondContact O-N 2.89Å
238E64.7Low61.1Low131 Ų13196.3 Ų96.361%0.61249%0.486SS*.Hα-helixtrans-57.8-45173.7-77.5175167.500112E234 Q241 S242E234-E238 WeakPolarHBondContact O-CB 3.13Å; E234-E238 WeakPolarHBondContact O-CG 3.33Å; E234-E238 PolarHBondContact O-N 3.36Å; E238-Q241 PolarHBondContact O-N 2.91Å; E238-S242 PolarHBondContact O-N 2.92Å; E238-S242 PolarHBondContact O-OG 3.29Å
239L67.6Low62.5Low122 Ų12292.1 Ų92.164%0.63946%0.464SS*.Hα-helixtrans-69.2-36.6178.8-175.962.6000112.6K235 A237 S242 H243K235-L239 VanDerWaalsContact O-CB 3.27Å; K235-L239 WeakPolarHBondContact O-CB 3.37Å; K235-L239 PolarHBondContact O-N 3.24Å; A237-L239 PolarHBondContact O-N 2.79Å; L239-S242 PolarHBondContact O-OG 2.89Å; L239-S242 VanDerWaalsContact O-OG 3.07Å; L239-H243 WeakPolarHBondContact O-CB 3.13Å; L239-H243 PolarHBondContact O-N 3.02Å; L239-H243 VanDerWaalsContact O-N 3.09Å
240M64.2Low63.8Low125 Ų12590.7 Ų90.762%0.61646%0.458SS*.Hα-helixtrans-67.9-40.1173-177.3171.360.500111.2E236 A237 H243 M244E236-M240 VanDerWaalsContact O-CB 3.26Å; E236-M240 WeakPolarHBondContact O-CB 3.34Å; E236-M240 PolarHBondContact O-N 3.16Å; A237-M240 PolarHBondContact O-N 3.11Å; M240-H243 PolarHBondContact O-N 2.86Å; M240-M244 WeakPolarHBondContact O-CB 3.3Å; M240-M244 VanDerWaalsContact O-CG 3.24Å; M240-M244 WeakPolarHBondContact O-CG 3.42Å; M240-M244 PolarHBondContact O-N 2.98Å
241Q66.8Low65Low94 Ų9489.8 Ų89.844%0.43945%0.453SS..Hα-helixtrans-65.8-42.3178.3-175172.4-61.400111.7A237 E238 M245 I272A237-Q241 VanDerWaalsContact O-CB 3.27Å; A237-Q241 WeakPolarHBondContact O-CB 3.49Å; A237-Q241 PolarHBondContact O-N 2.89Å; E238-Q241 PolarHBondContact O-N 2.91Å; Q241-M245 VanDerWaalsContact O-CB 3.27Å; Q241-M245 WeakPolarHBondContact O-CB 3.36Å; Q241-M245 PolarHBondContact O-N 2.85Å; Q241-I272 HydrophobicContact CG-CD1 4.27Å
242S70.1Confident66.2Low53 Ų5385.2 Ų85.237%0.37143%0.43SS..Hα-helixtrans-67.3-42.4175.561.40000112.3E238 L239 M244 M245 D246E238-S242 PolarHBondContact O-N 2.92Å; E238-S242 PolarHBondContact O-OG 3.29Å; L239-S242 PolarHBondContact O-OG 2.89Å; L239-S242 VanDerWaalsContact O-OG 3.07Å; S242-M244 PolarHBondContact O-N 3.41Å; S242-M245 WeakPolarHBondContact O-CB 3.34Å; S242-M245 PolarHBondContact O-N 3.44Å; S242-M245 VanDerWaalsContact O-N 3.09Å; S242-D246 PolarHBondContact O-N 3.17Å
243H73.6Confident67.2Low114 Ų11483.7 Ų83.753%0.52842%0.418SS..Hα-helixtrans-60.7-43.1175.1-178.8-77000112.6L239 M240 M245 Q247L239-H243 WeakPolarHBondContact O-CB 3.13Å; L239-H243 PolarHBondContact O-N 3.02Å; L239-H243 VanDerWaalsContact O-N 3.09Å; M240-H243 PolarHBondContact O-N 2.86Å; H243-M245 VanDerWaalsContact C-N 3.26Å; H243-M245 PolarHBondContact O-N 3.26Å; H243-Q247 WeakPolarHBondContact O-CB 3.33Å; H243-Q247 PolarHBondContact O-N 2.98Å
244M67.6Low68.1Low89 Ų8981.8 Ų81.844%0.43842%0.423SS..Hα-helixtrans-63.2-33.8174.7-71.1-70.297.600112.4M240 S242 Q247 A248 I272M240-M244 WeakPolarHBondContact O-CB 3.3Å; M240-M244 VanDerWaalsContact O-CG 3.24Å; M240-M244 WeakPolarHBondContact O-CG 3.42Å; M240-M244 PolarHBondContact O-N 2.98Å; S242-M244 PolarHBondContact O-N 3.41Å; M244-Q247 VanDerWaalsContact CE-OE1 3.24Å; M244-A248 WeakPolarHBondContact O-CB 3.32Å; M244-A248 PolarHBondContact O-N 2.89Å; M244-I272 HydrophobicContact CB-CD1 3.96Å
245M73.9Confident68.7Low14 Ų1485.5 Ų85.57%0.06943%0.434CS..Hα-helixtrans-72.6-46.5178.8-171.4159152.500112.4Q241 S242 H243 Q247 A248 I249 P269 I272 V275Q241-M245 VanDerWaalsContact O-CB 3.27Å; Q241-M245 WeakPolarHBondContact O-CB 3.36Å; Q241-M245 PolarHBondContact O-N 2.85Å; S242-M245 WeakPolarHBondContact O-CB 3.34Å; S242-M245 PolarHBondContact O-N 3.44Å; S242-M245 VanDerWaalsContact O-N 3.09Å; H243-M245 VanDerWaalsContact C-N 3.26Å; H243-M245 PolarHBondContact O-N 3.26Å; M245-Q247 VanDerWaalsContact C-N 3.31Å; M245-Q247 PolarHBondContact O-N 3.48Å; M245-A248 PolarHBondContact O-N 2.86Å; M245-I249 HydrophobicContact CG-CD1 4.3Å; M245-I249 WeakPolarHBondContact O-CG1 3.35Å; M245-I249 PolarHBondContact O-N 3.22Å; M245-P269 HydrophobicContact CE-CB 3.48Å; M245-P269 VanDerWaalsContact CE-CB 3.48Å; M245-P269 HydrophobicContact CE-CG 3.64Å; M245-P269 WeakPolarHBondContact CE-O 3.37Å; M245-I272 HydrophobicContact CB-CD1 4.37Å; M245-I272 HydrophobicContact CB-CG1 3.74Å; M245-I272 HydrophobicContact CG-CG1 4.01Å; M245-I272 HydrophobicContact SD-CG1 4.04Å; M245-I272 PolarHBondContact SD-N 3.44Å; M245-V275 HydrophobicContact CE-CG2 3.71Å; M245-V275 HydrophobicContact CG-CG2 4.11Å; M245-V275 HydrophobicContact SD-CG2 4.3Å
246D73Confident69.4Low97 Ų9780.9 Ų80.952%0.51941%0.414SS..Hα-helixtrans-59.5-42.6172.1-76.4-25000111S242 I249 N250S242-D246 PolarHBondContact O-N 3.17Å; D246-I249 PolarHBondContact O-N 2.99Å; D246-N250 WeakPolarHBondContact O-CB 3.5Å; D246-N250 PolarHBondContact O-N 3.11Å; D246-N250 PolarHBondContact O-ND2 3.4Å
247Q74.4Confident70.3Confident92 Ų9276.4 Ų76.443%0.4340%0.403SS..Hα-helixtrans-64.2-40.8176.8-169.2172.413.700111.9H243 M244 M245 N251H243-Q247 WeakPolarHBondContact O-CB 3.33Å; H243-Q247 PolarHBondContact O-N 2.98Å; M244-Q247 VanDerWaalsContact CE-OE1 3.24Å; M245-Q247 VanDerWaalsContact C-N 3.31Å; M245-Q247 PolarHBondContact O-N 3.48Å; Q247-N251 VanDerWaalsContact O-CB 3.3Å; Q247-N251 WeakPolarHBondContact O-CB 3.39Å; Q247-N251 PolarHBondContact O-N 3.17Å; Q247-N251 PolarHBondContact O-ND2 3.37Å
248A71.4Confident70.7Confident35 Ų3576.9 Ų76.929%0.28941%0.407SS..Hα-helixtrans-63.5-42.5175.500000112.4M244 M245 A252M244-A248 WeakPolarHBondContact O-CB 3.32Å; M244-A248 PolarHBondContact O-N 2.89Å; M245-A248 PolarHBondContact O-N 2.86Å; A248-A252 WeakPolarHBondContact O-CB 3.24Å; A248-A252 PolarHBondContact O-N 2.78Å
249I73.3Confident70.8Confident27 Ų2779.4 Ų79.414%0.13842%0.418CS..Hα-helixtrans-67-47.5178-67.4168.4000110.8M245 D246 N251 A252 I253 P269 V275M245-I249 HydrophobicContact CG-CD1 4.3Å; M245-I249 WeakPolarHBondContact O-CG1 3.35Å; M245-I249 PolarHBondContact O-N 3.22Å; D246-I249 PolarHBondContact O-N 2.99Å; I249-N251 PolarHBondContact O-N 3.07Å; I249-A252 PolarHBondContact O-N 3.09Å; I249-I253 HydrophobicContact CG2-CD1 3.77Å; I249-I253 HydrophobicContact CG2-CG1 4.38Å; I249-I253 WeakPolarHBondContact O-CG1 3.39Å; I249-I253 PolarHBondContact O-N 3.44Å; I249-P269 HydrophobicContact CD1-CG 4.45Å; I249-V275 HydrophobicContact CD1-CG1 4.37Å; I249-V275 HydrophobicContact CD1-CG2 4.25Å; I249-V275 HydrophobicContact CG1-CG1 3.83Å
250N72.9Confident70.8Confident95 Ų9575.4 Ų75.451%0.50840%0.403SS..Hα-helixtrans-62.9-40.2178.7-77.9-68.9000112.5D246 I253 T254D246-N250 WeakPolarHBondContact O-CB 3.5Å; D246-N250 PolarHBondContact O-N 3.11Å; D246-N250 PolarHBondContact O-ND2 3.4Å; N250-I253 PolarHBondContact O-N 3.38Å; N250-T254 PolarHBondContact O-N 3.03Å; N250-T254 PolarHBondContact O-OG1 3.13Å
251N74.1Confident71Confident81 Ų8169.5 Ų69.543%0.43337%0.374SS..Hα-helixtrans-60.5-48.3172-73.2-17.5000110.8Q247 I249 I253 T254 Y255Q247-N251 VanDerWaalsContact O-CB 3.3Å; Q247-N251 WeakPolarHBondContact O-CB 3.39Å; Q247-N251 PolarHBondContact O-N 3.17Å; Q247-N251 PolarHBondContact O-ND2 3.37Å; I249-N251 PolarHBondContact O-N 3.07Å; N251-I253 PolarHBondContact O-N 3.4Å; N251-T254 WeakPolarHBondContact O-CA 3.41Å; N251-T254 WeakPolarHBondContact O-CB 3.45Å; N251-T254 PolarHBondContact O-N 3.44Å; N251-Y255 WeakPolarHBondContact O-CD2 3.11Å; N251-Y255 PolarHBondContact O-N 2.9Å; N251-Y255 VanDerWaalsContact O-N 3.11Å
252A70.4Confident71.1Confident4 Ų469.6 Ų69.63%0.03337%0.374CS..Hα-helixtrans-64-38.5-179.600000112.8A248 I249 T254 Y255 L256 L261 I279A248-A252 WeakPolarHBondContact O-CB 3.24Å; A248-A252 PolarHBondContact O-N 2.78Å; I249-A252 PolarHBondContact O-N 3.09Å; A252-T254 VanDerWaalsContact C-N 3.26Å; A252-T254 PolarHBondContact O-N 3.25Å; A252-Y255 PolarHBondContact O-N 3.4Å; A252-L256 WeakPolarHBondContact O-CB 3.07Å; A252-L256 PolarHBondContact O-N 3.2Å; A252-L261 HydrophobicContact CB-CD1 3.53Å; A252-I279 HydrophobicContact CB-CD1 3.64Å; A252-I279 HydrophobicContact CB-CG1 3.96Å; A252-I279 HydrophobicContact CB-CG2 4.26Å
253I74.4Confident70.9Confident52 Ų5270.3 Ų70.327%0.26738%0.377SS..Hα-helixtrans-60.1-38.5172-69.8167.8000110.8I249 N250 N251 Y255 G257 A258 L261I249-I253 HydrophobicContact CG2-CD1 3.77Å; I249-I253 HydrophobicContact CG2-CG1 4.38Å; I249-I253 WeakPolarHBondContact O-CG1 3.39Å; I249-I253 PolarHBondContact O-N 3.44Å; N250-I253 PolarHBondContact O-N 3.38Å; N251-I253 PolarHBondContact O-N 3.4Å; I253-Y255 VanDerWaalsContact C-N 3.34Å; I253-Y255 PolarHBondContact O-N 3.48Å; I253-G257 WeakPolarHBondContact O-CA 3.49Å; I253-G257 PolarHBondContact O-N 3.09Å; I253-A258 HydrophobicContact CG2-CB 4.25Å; I253-L261 HydrophobicContact CG1-CD1 3.87Å
254T72.4Confident70.5Confident112 Ų11265.7 Ų65.769%0.68736%0.357SS*.Hα-helixtrans-67.4-32.4178.3-54.60000112.6N250 N251 A252N250-T254 PolarHBondContact O-N 3.03Å; N250-T254 PolarHBondContact O-OG1 3.13Å; N251-T254 WeakPolarHBondContact O-CA 3.41Å; N251-T254 WeakPolarHBondContact O-CB 3.45Å; N251-T254 PolarHBondContact O-N 3.44Å; A252-T254 VanDerWaalsContact C-N 3.26Å; A252-T254 PolarHBondContact O-N 3.25Å
255Y66.2Low70.3Confident176 Ų17667.1 Ų67.169%0.6936%0.364SS*.Hα-helixtrans-94-29.2-178.9-71-66.9000115.2N251 A252 I253 Y283N251-Y255 WeakPolarHBondContact O-CD2 3.11Å; N251-Y255 PolarHBondContact O-N 2.9Å; N251-Y255 VanDerWaalsContact O-N 3.11Å; A252-Y255 PolarHBondContact O-N 3.4Å; I253-Y255 VanDerWaalsContact C-N 3.34Å; I253-Y255 PolarHBondContact O-N 3.48Å; Y255-Y283 WeakPolarHBondContact CB-OH 3.42Å
256L72.8Confident69.9Low26 Ų2672.6 Ų72.614%0.13639%0.389CS..Hα-helixtrans-111.1-14.9-175.2-64.9170.9000113.8A252 A260 L261 A282 Y283 V286A252-L256 WeakPolarHBondContact O-CB 3.07Å; A252-L256 PolarHBondContact O-N 3.2Å; L256-A260 HydrophobicContact CB-CB 4.01Å; L256-A260 WeakPolarHBondContact O-CB 3.37Å; L256-L261 HydrophobicContact CB-CD1 4.48Å; L256-L261 HydrophobicContact CD1-CD1 4.34Å; L256-L261 HydrophobicContact CD1-CD2 3.91Å; L256-L261 HydrophobicContact CD1-CG 4.29Å; L256-A282 HydrophobicContact CD1-CB 3.87Å; L256-Y283 HydrophobicContact CD1-CD2 3.79Å; L256-Y283 HydrophobicContact CD1-CE2 3.73Å; L256-Y283 HydrophobicContact CD1-CG 4.28Å; L256-Y283 HydrophobicContact CD2-CD1 3.79Å; L256-Y283 HydrophobicContact CD2-CD2 4.3Å; L256-Y283 HydrophobicContact CD2-CE1 3.83Å; L256-Y283 HydrophobicContact CD2-CE2 4.35Å; L256-Y283 HydrophobicContact CD2-CG 4.01Å; L256-Y283 HydrophobicContact CG-CD2 4.39Å; L256-Y283 HydrophobicContact CG-CE1 4.28Å; L256-Y283 HydrophobicContact CG-CE2 4.11Å; L256-V286 HydrophobicContact CD2-CG2 4.13Å
257G71.3Confident69.3Low33 Ų3374.9 Ų74.934%0.3440%0.396SS..  trans79.2154-167.600000112.7I253 E259 A260I253-G257 WeakPolarHBondContact O-CA 3.49Å; I253-G257 PolarHBondContact O-N 3.09Å; G257-E259 VanDerWaalsContact C-N 3.32Å; G257-E259 PolarHBondContact O-N 2.89Å; G257-A260 PolarHBondContact O-N 2.89Å
258A68.9Low68.7Low43 Ų4375.3 Ų75.336%0.35542%0.415SS..SBendtrans-63.5-35.4-178.500000113I253 A260 L261 H262 M265I253-A258 HydrophobicContact CG2-CB 4.25Å; A258-A260 VanDerWaalsContact C-N 3.33Å; A258-A260 PolarHBondContact O-N 2.96Å; A258-L261 CarbonylContact O-C 3.57Å; A258-L261 PolarHBondContact O-N 2.63Å; A258-L261 VanDerWaalsContact O-N 3.09Å; A258-H262 PolarHBondContact O-N 3.17Å; A258-H262 VanDerWaalsContact O-N 3.13Å; A258-M265 HydrophobicContact CB-SD 4.1Å
259E67.6Low68.4Low184 Ų18475.2 Ų75.286%0.8641%0.412SS*.G310 helixtrans-60.9-39.2-179.2-61.2-175.6165.700112.7G257 L261 H262G257-E259 VanDerWaalsContact C-N 3.32Å; G257-E259 PolarHBondContact O-N 2.89Å; E259-L261 PolarHBondContact O-N 3.34Å; E259-H262 WeakPolarHBondContact O-CB 3.2Å; E259-H262 PolarHBondContact O-N 3.34Å
260A68.3Low67.9Low38 Ų3878 Ų7831%0.31443%0.433SS..G310 helixtrans-68.9-16.1178.300000113.6L256 G257 A258L256-A260 HydrophobicContact CB-CB 4.01Å; L256-A260 WeakPolarHBondContact O-CB 3.37Å; G257-A260 PolarHBondContact O-N 2.89Å; A258-A260 VanDerWaalsContact C-N 3.33Å; A258-A260 PolarHBondContact O-N 2.96Å
261L68.5Low67.8Low1 Ų175.7 Ų75.71%0.00542%0.423CS..G310 helixtrans-116.611.4-177.6-61.4175.7000112.9A252 I253 L256 A258 E259 P263 L264 M265 I279 A282A252-L261 HydrophobicContact CB-CD1 3.53Å; I253-L261 HydrophobicContact CG1-CD1 3.87Å; L256-L261 HydrophobicContact CB-CD1 4.48Å; L256-L261 HydrophobicContact CD1-CD1 4.34Å; L256-L261 HydrophobicContact CD1-CD2 3.91Å; L256-L261 HydrophobicContact CD1-CG 4.29Å; A258-L261 CarbonylContact O-C 3.57Å; A258-L261 PolarHBondContact O-N 2.63Å; A258-L261 VanDerWaalsContact O-N 3.09Å; E259-L261 PolarHBondContact O-N 3.34Å; L261-P263 VanDerWaalsContact C-N 3.27Å; L261-P263 WeakPolarHBondContact O-CD 3.49Å; L261-P263 VanDerWaalsContact O-N 3.08Å; L261-L264 HydrophobicContact CB-CD1 4.44Å; L261-L264 HydrophobicContact CD2-CD1 4.14Å; L261-L264 WeakPolarHBondContact O-CB 3.35Å; L261-L264 PolarHBondContact O-N 2.94Å; L261-M265 PolarHBondContact O-N 3.36Å; L261-I279 HydrophobicContact CD2-CG1 4.18Å; L261-A282 HydrophobicContact CD2-CB 3.87Å
262H69.1Low67.6Low96 Ų9675 Ų7544%0.44442%0.419SS..Hα-helixtrans-46.8-35.9178.5-171.9-106.6000115.2A258 E259 L264 M265 Q266A258-H262 PolarHBondContact O-N 3.17Å; A258-H262 VanDerWaalsContact O-N 3.13Å; E259-H262 WeakPolarHBondContact O-CB 3.2Å; E259-H262 PolarHBondContact O-N 3.34Å; H262-L264 VanDerWaalsContact C-N 3.3Å; H262-L264 PolarHBondContact O-N 2.86Å; H262-M265 WeakPolarHBondContact O-CB 3.33Å; H262-M265 PolarHBondContact O-N 3.42Å; H262-Q266 VanDerWaalsContact CE1-CD 3.5Å; H262-Q266 PolarHBondContact CE1-NE2 2.86Å; H262-Q266 PolarHBondContact O-N 3.48Å; H262-Q266 VanDerWaalsContact O-N 3.09Å
263P66.1Low67.6Low68 Ų6878.5 Ų78.544%0.44245%0.448SS..Hα-helixtrans-59.3-34.3173.8-25.736.3000114.6L261 M265 Q266 H267 V278L261-P263 VanDerWaalsContact C-N 3.27Å; L261-P263 WeakPolarHBondContact O-CD 3.49Å; L261-P263 VanDerWaalsContact O-N 3.08Å; P263-M265 VanDerWaalsContact C-N 3.3Å; P263-Q266 PolarHBondContact O-N 2.96Å; P263-H267 PolarHBondContact O-N 3.05Å; P263-H267 VanDerWaalsContact O-N 3.11Å; P263-V278 HydrophobicContact CB-CG1 4.4Å
264L63.9Low67.3Low17 Ų1780.5 Ų80.59%0.08946%0.456CS..Hα-helixtrans-76.2-19.2175.5-62.2169.7000112.5L261 H262 P269 V275 V278 I279L261-L264 HydrophobicContact CB-CD1 4.44Å; L261-L264 HydrophobicContact CD2-CD1 4.14Å; L261-L264 WeakPolarHBondContact O-CB 3.35Å; L261-L264 PolarHBondContact O-N 2.94Å; H262-L264 VanDerWaalsContact C-N 3.3Å; H262-L264 PolarHBondContact O-N 2.86Å; L264-P269 HydrophobicContact CD2-CG 4.03Å; L264-V275 HydrophobicContact CD1-CG1 3.96Å; L264-V275 HydrophobicContact CD2-CB 4.49Å; L264-V275 HydrophobicContact CD2-CG1 4.28Å; L264-V275 HydrophobicContact CD2-CG2 4.38Å; L264-V278 HydrophobicContact CD1-CB 4.27Å; L264-V278 HydrophobicContact CD1-CG1 4.12Å; L264-V278 HydrophobicContact CD2-CB 3.95Å; L264-V278 HydrophobicContact CD2-CG1 4.12Å; L264-V278 HydrophobicContact CD2-CG2 4.09Å; L264-V278 HydrophobicContact CG-CB 4.14Å; L264-V278 HydrophobicContact CG-CG1 3.82Å; L264-I279 HydrophobicContact CD1-CG1 4.1Å
265M63.8Low67.2Low119 Ų11975.3 Ų75.359%0.58642%0.424SS*.Hα-helixtrans-84.3-23.5174-58-17968.900112.2A258 L261 H262 P263A258-M265 HydrophobicContact CB-SD 4.1Å; L261-M265 PolarHBondContact O-N 3.36Å; H262-M265 WeakPolarHBondContact O-CB 3.33Å; H262-M265 PolarHBondContact O-N 3.42Å; P263-M265 VanDerWaalsContact C-N 3.3Å
266Q64.8Low67.5Low129 Ų12969.1 Ų69.160%0.60341%0.41SS*.Hα-helixtrans-87.5-35.1176.3-68.8-170.2-39.500112.9H262 P263H262-Q266 VanDerWaalsContact CE1-CD 3.5Å; H262-Q266 PolarHBondContact CE1-NE2 2.86Å; H262-Q266 PolarHBondContact O-N 3.48Å; H262-Q266 VanDerWaalsContact O-N 3.09Å; P263-Q266 PolarHBondContact O-N 2.96Å
267H60.6Low67.5Low144 Ų14471.6 Ų71.667%0.66743%0.427SS*.SBendtrans-114.9104.6174.2-65.8-73.2000109.4P263 P269P263-H267 PolarHBondContact O-N 3.05Å; P263-H267 VanDerWaalsContact O-N 3.11Å; H267-P269 WeakPolarHBondContact O-CD 3.41Å
268A61.4Low67.6Low101 Ų10172.2 Ų72.284%0.83542%0.424SS*.  trans-56.9109.4167.300000108.3
269P65.2Low67.9Low34 Ų3471.4 Ų71.422%0.22141%0.414CS..  trans-76.9158.2-177.6122.4000109.5M245 I249 L264 H267 E274 V275M245-P269 HydrophobicContact CE-CB 3.48Å; M245-P269 VanDerWaalsContact CE-CB 3.48Å; M245-P269 HydrophobicContact CE-CG 3.64Å; M245-P269 WeakPolarHBondContact CE-O 3.37Å; I249-P269 HydrophobicContact CD1-CG 4.45Å; L264-P269 HydrophobicContact CD2-CG 4.03Å; H267-P269 WeakPolarHBondContact O-CD 3.41Å; P269-E274 HydrophobicContact CB-CB 4.12Å; P269-V275 HydrophobicContact CB-CG2 3.82Å; P269-V275 HydrophobicContact CG-CG2 3.58Å
270S63.7Low68.2Low84 Ų8466.1 Ų66.159%0.58740%0.397SS*.SBendtrans-99.8-25.7-179.570.20000113.3E274S270-E274 WeakPolarHBondContact CA-OE2 3.26Å; S270-E274 WeakPolarHBondContact CB-OE2 3.5Å; S270-E274 PolarHBondContact N-OE2 2.72Å; S270-E274 PolarHBondContact OG-OE1 2.86Å; S270-E274 PolarHBondContact OG-OE2 3.24Å
271T70.8Confident68.6Low47 Ų4766.9 Ų66.929%0.28840%0.4SS..SBendtrans-140.5155-178.966.10000113.2A273 E274T271-A273 PolarHBondContact O-N 2.93Å; T271-A273 VanDerWaalsContact O-N 3.16Å; T271-E274 PolarHBondContact N-OE2 3.36Å; T271-E274 WeakPolarHBondContact O-CB 3.47Å; T271-E274 PolarHBondContact O-N 2.49Å; T271-E274 PolarHBondContact OG1-OE2 3.48Å
272I69.3Low68.7Low67 Ų6767.1 Ų67.134%0.34440%0.402SS..Hα-helixtrans-58.5-29.3176.5-62.1172.1000111.4Q241 M244 M245 E274 V275 A276Q241-I272 HydrophobicContact CG-CD1 4.27Å; M244-I272 HydrophobicContact CB-CD1 3.96Å; M245-I272 HydrophobicContact CB-CD1 4.37Å; M245-I272 HydrophobicContact CB-CG1 3.74Å; M245-I272 HydrophobicContact CG-CG1 4.01Å; M245-I272 HydrophobicContact SD-CG1 4.04Å; M245-I272 PolarHBondContact SD-N 3.44Å; I272-E274 VanDerWaalsContact C-N 3.27Å; I272-E274 PolarHBondContact O-N 2.81Å; I272-V275 PolarHBondContact O-N 3.02Å; I272-V275 VanDerWaalsContact O-N 3.14Å; I272-A276 PolarHBondContact O-N 3.22Å
273A70.1Confident68.8Low78 Ų7866.5 Ų66.565%0.64540%0.397SS*.Hα-helixtrans-64.2-26.8176.300000113.7T271 P277T271-A273 PolarHBondContact O-N 2.93Å; T271-A273 VanDerWaalsContact O-N 3.16Å; A273-P277 WeakPolarHBondContact O-CD 3.17Å
274E68.5Low68.9Low93 Ų9366.2 Ų66.244%0.43540%0.396SS..Hα-helixtrans-80.6-29.1174.3-64.1168.5134.100111.5P269 S270 T271 I272P269-E274 HydrophobicContact CB-CB 4.12Å; S270-E274 WeakPolarHBondContact CA-OE2 3.26Å; S270-E274 WeakPolarHBondContact CB-OE2 3.5Å; S270-E274 PolarHBondContact N-OE2 2.72Å; S270-E274 PolarHBondContact OG-OE1 2.86Å; S270-E274 PolarHBondContact OG-OE2 3.24Å; T271-E274 PolarHBondContact N-OE2 3.36Å; T271-E274 WeakPolarHBondContact O-CB 3.47Å; T271-E274 PolarHBondContact O-N 2.49Å; T271-E274 PolarHBondContact OG1-OE2 3.48Å; I272-E274 VanDerWaalsContact C-N 3.27Å; I272-E274 PolarHBondContact O-N 2.81Å
275V70.8Confident68.9Low3 Ų371.2 Ų71.22%0.01842%0.419CS..Hα-helixtrans-80.1-46.3-177.6-175.30000112.2M245 I249 L264 P269 I272 V278 I279M245-V275 HydrophobicContact CE-CG2 3.71Å; M245-V275 HydrophobicContact CG-CG2 4.11Å; M245-V275 HydrophobicContact SD-CG2 4.3Å; I249-V275 HydrophobicContact CD1-CG1 4.37Å; I249-V275 HydrophobicContact CD1-CG2 4.25Å; I249-V275 HydrophobicContact CG1-CG1 3.83Å; L264-V275 HydrophobicContact CD1-CG1 3.96Å; L264-V275 HydrophobicContact CD2-CB 4.49Å; L264-V275 HydrophobicContact CD2-CG1 4.28Å; L264-V275 HydrophobicContact CD2-CG2 4.38Å; P269-V275 HydrophobicContact CB-CG2 3.82Å; P269-V275 HydrophobicContact CG-CG2 3.58Å; I272-V275 PolarHBondContact O-N 3.02Å; I272-V275 VanDerWaalsContact O-N 3.14Å; V275-V278 PolarHBondContact O-N 3.24Å; V275-I279 HydrophobicContact CG1-CD1 3.49Å; V275-I279 VanDerWaalsContact CG1-CD1 3.49Å; V275-I279 HydrophobicContact CG1-CG1 3.97Å; V275-I279 PolarHBondContact O-N 3.3Å
276A71.8Confident68.8Low47 Ų4769.4 Ų69.439%0.38842%0.415SS..Hα-helixtrans-51-45.5-17600000115.1I272 S280I272-A276 PolarHBondContact O-N 3.22Å; A276-S280 VanDerWaalsContact O-CB 3.31Å; A276-S280 WeakPolarHBondContact O-CB 3.2Å; A276-S280 PolarHBondContact O-N 3.25Å; A276-S280 PolarHBondContact O-OG 3.1Å
277P73.8Confident68.4Low78 Ų7871.1 Ų71.151%0.50642%0.417SS..Hα-helixtrans-69.7-30.9178.127.1-35.4000112.9A273 S281A273-P277 WeakPolarHBondContact O-CD 3.17Å; P277-S281 VanDerWaalsContact O-CB 3.27Å; P277-S281 WeakPolarHBondContact O-CB 3.19Å; P277-S281 PolarHBondContact O-N 3.27Å
278V73.6Confident67.9Low46 Ų4669.6 Ų69.628%0.27941%0.41SS..Hα-helixtrans-72.7-45.3178.9-174.90000110.8P263 L264 V275 S280 S281 A282P263-V278 HydrophobicContact CB-CG1 4.4Å; L264-V278 HydrophobicContact CD1-CB 4.27Å; L264-V278 HydrophobicContact CD1-CG1 4.12Å; L264-V278 HydrophobicContact CD2-CB 3.95Å; L264-V278 HydrophobicContact CD2-CG1 4.12Å; L264-V278 HydrophobicContact CD2-CG2 4.09Å; L264-V278 HydrophobicContact CG-CB 4.14Å; L264-V278 HydrophobicContact CG-CG1 3.82Å; V275-V278 PolarHBondContact O-N 3.24Å; V278-S280 VanDerWaalsContact C-N 3.33Å; V278-S280 PolarHBondContact O-N 3.47Å; V278-S281 PolarHBondContact O-N 3.06Å; V278-A282 PolarHBondContact O-N 3.11Å
279I74.9Confident67.1Low25 Ų2569.5 Ų69.513%0.12840%0.401CS..Hα-helixtrans-57.9-47.1171.9-69.3176.7000110.1A252 L261 L264 V275 S281 A282 Y283A252-I279 HydrophobicContact CB-CD1 3.64Å; A252-I279 HydrophobicContact CB-CG1 3.96Å; A252-I279 HydrophobicContact CB-CG2 4.26Å; L261-I279 HydrophobicContact CD2-CG1 4.18Å; L264-I279 HydrophobicContact CD1-CG1 4.1Å; V275-I279 HydrophobicContact CG1-CD1 3.49Å; V275-I279 VanDerWaalsContact CG1-CD1 3.49Å; V275-I279 HydrophobicContact CG1-CG1 3.97Å; V275-I279 PolarHBondContact O-N 3.3Å; I279-S281 VanDerWaalsContact C-N 3.33Å; I279-S281 PolarHBondContact O-N 3Å; I279-A282 PolarHBondContact O-N 2.94Å; I279-Y283 HydrophobicContact CG2-CD2 3.67Å; I279-Y283 HydrophobicContact CG2-CE2 3.65Å; I279-Y283 WeakPolarHBondContact O-CD2 3.39Å; I279-Y283 PolarHBondContact O-N 3.48Å
280S74.1Confident66.2Low74 Ų7475.7 Ų75.752%0.51743%0.432SS..Hα-helixtrans-62.8-39.6-179.7-57.10000112.2A276 V278 S284A276-S280 VanDerWaalsContact O-CB 3.31Å; A276-S280 WeakPolarHBondContact O-CB 3.2Å; A276-S280 PolarHBondContact O-N 3.25Å; A276-S280 PolarHBondContact O-OG 3.1Å; V278-S280 VanDerWaalsContact C-N 3.33Å; V278-S280 PolarHBondContact O-N 3.47Å; S280-S284 PolarHBondContact O-N 3.07Å
281S75.3Confident65.2Low53 Ų5381.2 Ų81.237%0.37144%0.44SS..Hα-helixtrans-62.6-46.9173.6-176.70000111.4P277 V278 I279 Y283 S284 Q285P277-S281 VanDerWaalsContact O-CB 3.27Å; P277-S281 WeakPolarHBondContact O-CB 3.19Å; P277-S281 PolarHBondContact O-N 3.27Å; V278-S281 PolarHBondContact O-N 3.06Å; I279-S281 VanDerWaalsContact C-N 3.33Å; I279-S281 PolarHBondContact O-N 3Å; S281-Y283 PolarHBondContact O-N 3.07Å; S281-S284 PolarHBondContact O-N 2.78Å; S281-S284 VanDerWaalsContact O-N 3.11Å; S281-S284 PolarHBondContact O-OG 3.19Å; S281-Q285 WeakPolarHBondContact O-CG 3.4Å; S281-Q285 PolarHBondContact O-N 3.4Å; S281-Q285 PolarHBondContact O-NE2 2.92Å; S281-Q285 PolarHBondContact OG-NE2 3.29Å
282A72.2Confident63.7Low6 Ų685.7 Ų85.75%0.0546%0.46CS..Hα-helixtrans-60.3-46.2177.400000112.1L256 L261 V278 I279 S284 Q285 V286L256-A282 HydrophobicContact CD1-CB 3.87Å; L261-A282 HydrophobicContact CD2-CB 3.87Å; V278-A282 PolarHBondContact O-N 3.11Å; I279-A282 PolarHBondContact O-N 2.94Å; A282-S284 VanDerWaalsContact C-N 3.33Å; A282-S284 PolarHBondContact O-N 2.82Å; A282-Q285 PolarHBondContact O-N 3.23Å; A282-V286 WeakPolarHBondContact O-CG2 3.4Å; A282-V286 PolarHBondContact O-N 3.36Å; A282-V286 VanDerWaalsContact O-N 3.08Å
283Y69.6Low61.9Low84 Ų8491.1 Ų91.133%0.32948%0.484SS..Hα-helixtrans-55.7-45171-88.4-74.7000112Y255 L256 I279 S281 Q285 V286 Y287Y255-Y283 WeakPolarHBondContact CB-OH 3.42Å; L256-Y283 HydrophobicContact CD1-CD2 3.79Å; L256-Y283 HydrophobicContact CD1-CE2 3.73Å; L256-Y283 HydrophobicContact CD1-CG 4.28Å; L256-Y283 HydrophobicContact CD2-CD1 3.79Å; L256-Y283 HydrophobicContact CD2-CD2 4.3Å; L256-Y283 HydrophobicContact CD2-CE1 3.83Å; L256-Y283 HydrophobicContact CD2-CE2 4.35Å; L256-Y283 HydrophobicContact CD2-CG 4.01Å; L256-Y283 HydrophobicContact CG-CD2 4.39Å; L256-Y283 HydrophobicContact CG-CE1 4.28Å; L256-Y283 HydrophobicContact CG-CE2 4.11Å; I279-Y283 HydrophobicContact CG2-CD2 3.67Å; I279-Y283 HydrophobicContact CG2-CE2 3.65Å; I279-Y283 WeakPolarHBondContact O-CD2 3.39Å; I279-Y283 PolarHBondContact O-N 3.48Å; S281-Y283 PolarHBondContact O-N 3.07Å; Y283-Q285 VanDerWaalsContact C-N 3.3Å; Y283-Q285 PolarHBondContact O-N 2.92Å; Y283-V286 PolarHBondContact O-N 2.82Å; Y283-Y287 HydrophobicContact CD1-CD2 4.07Å; Y283-Y287 HydrophobicContact CD1-CE2 4.03Å; Y283-Y287 HydrophobicContact CE1-CE2 4.41Å; Y283-Y287 WeakPolarHBondContact O-CB 3.36Å; Y283-Y287 WeakPolarHBondContact O-CD2 3.47Å; Y283-Y287 PolarHBondContact O-N 3.46Å
284S68.2Low60.2Low62 Ų6297.8 Ų97.843%0.43449%0.493SS..Hα-helixtrans-64.4-31.9179.9780000113.8S280 S281 A282 H288S280-S284 PolarHBondContact O-N 3.07Å; S281-S284 PolarHBondContact O-N 2.78Å; S281-S284 VanDerWaalsContact O-N 3.11Å; S281-S284 PolarHBondContact O-OG 3.19Å; A282-S284 VanDerWaalsContact C-N 3.33Å; A282-S284 PolarHBondContact O-N 2.82Å; S284-H288 PolarHBondContact O-CD2 2.82Å; S284-H288 PolarHBondContact O-N 2.85Å
285Q64.3Low58.4Low121 Ų12199.6 Ų99.657%0.56551%0.513SS*.Hα-helixtrans-74.7-36.1177.7-69.8173.359.700112.4S281 A282 Y283S281-Q285 WeakPolarHBondContact O-CG 3.4Å; S281-Q285 PolarHBondContact O-N 3.4Å; S281-Q285 PolarHBondContact O-NE2 2.92Å; S281-Q285 PolarHBondContact OG-NE2 3.29Å; A282-Q285 PolarHBondContact O-N 3.23Å; Y283-Q285 VanDerWaalsContact C-N 3.3Å; Y283-Q285 PolarHBondContact O-N 2.92Å
286V62.2Low56.4Low82 Ų82107.4 Ų107.450%0.49755%0.553SS.*Hα-helixtrans-71.3-41.4172.8176.20000111.4L256 A282 Y283L256-V286 HydrophobicContact CD2-CG2 4.13Å; A282-V286 WeakPolarHBondContact O-CG2 3.4Å; A282-V286 PolarHBondContact O-N 3.36Å; A282-V286 VanDerWaalsContact O-N 3.08Å; Y283-V286 PolarHBondContact O-N 2.82Å
287Y55.5Low54.4Low165 Ų165109.9 Ų109.965%0.64757%0.567SS**SBendtrans-105.135.3-172.4-69.3-83.3000114.6Y283 P289Y283-Y287 HydrophobicContact CD1-CD2 4.07Å; Y283-Y287 HydrophobicContact CD1-CE2 4.03Å; Y283-Y287 HydrophobicContact CE1-CE2 4.41Å; Y283-Y287 WeakPolarHBondContact O-CB 3.36Å; Y283-Y287 WeakPolarHBondContact O-CD2 3.47Å; Y283-Y287 PolarHBondContact O-N 3.46Å; Y287-P289 WeakPolarHBondContact O-CD 3.29Å
288H50.4Low52.5Low112 Ų112115.6 Ų115.652%0.51958%0.579SS.*  trans-62.2122173.7-113.3-62.4000111S284 N290 R291S284-H288 PolarHBondContact O-CD2 2.82Å; S284-H288 PolarHBondContact O-N 2.85Å; H288-N290 PolarHBondContact O-N 3.25Å; H288-R291 HydrophobicContact CB-CB 4.3Å; H288-R291 PolarHBondContact O-N 3.45Å
289P45.4Very low50.4Low99 Ų99120.5 Ų120.564%0.64360%0.598SS**THydrogen-bonded Turntrans-66.2-14.5-167.923.5-34.7000115.2Y287Y287-P289 WeakPolarHBondContact O-CD 3.29Å
290N45.3Very low48.6Very low164 Ų164126 Ų12688%0.87763%0.633SS**THydrogen-bonded Turntrans-97.75.1176.7-68.9-16000113.6H288H288-N290 PolarHBondContact O-N 3.25Å
291R43Very low46.5Very low199 Ų199127.9 Ų127.975%0.75165%0.646SS**  trans-106.424.2-176.7-144.6-176.1-167.9-163.82.7114.3H288 E293H288-R291 HydrophobicContact CB-CB 4.3Å; H288-R291 PolarHBondContact O-N 3.45Å; R291-E293 PolarHBondContact O-N 3.2Å
292I38.6Very low44.3Very low141 Ų141133 Ų13372%0.72367%0.67SS**  trans-78.165.8175.4-46.1179.1000110.3
293E32.8Very low42.3Very low181 Ų181138.7 Ų138.785%0.84671%0.709SS**PPolyproline II helixtrans-75.6127.5152.6-69.5-162.7135.900107.7R291 P295R291-E293 PolarHBondContact O-N 3.2Å; E293-P295 WeakPolarHBondContact O-CD 3.42Å
294R34.1Very low40.5Very low218 Ų218142.8 Ų142.882%0.82373%0.731SS**PPolyproline II helixtrans-74128-176.1-65.4174.6177.8169.6-3.1109.3I296R294-I296 PolarHBondContact O-N 3.32Å; R294-I296 VanDerWaalsContact O-N 3.11Å
295P29.5Very low38.8Very low132 Ų132146.2 Ų146.286%0.85774%0.74SS**PPolyproline II helixtrans-58.9117.2167.1-21.733.3000109.3E293 S297E293-P295 WeakPolarHBondContact O-CD 3.42Å; P295-S297 PolarHBondContact O-N 3.35Å
296I30.2Very low37.3Very low167 Ų167146.6 Ų146.686%0.85675%0.746SS**PPolyproline II helixtrans-77.5120.8170.8-63.1177.7000106.9R294R294-I296 PolarHBondContact O-N 3.32Å; R294-I296 VanDerWaalsContact O-N 3.11Å
297S29.2Very low35.7Very low99 Ų99148.9 Ų148.969%0.69276%0.756SS**PPolyproline II helixtrans-74.3130.4177.249.50000111.3P295P295-S297 PolarHBondContact O-N 3.35Å
298R34.1Very low34.6Very low198 Ų198148.8 Ų148.875%0.74776%0.763SS**  171.4143.6104.2-90.4-179.299106.93.6113
299E30.7Very low33.7Very low149 Ų149150.8 Ų150.870%0.69678%0.777SS**  trans73.7164.3141-74.1163.1174.400121.2
300T35.8Very low32.9Very low140 Ų140149.4 Ų149.486%0.85978%0.781SS**  trans-117.9145-155.549.50000111.8
301S30.5Very low33Very low113 Ų113147.3 Ų147.379%0.7978%0.776SS**  trans-154.1124.9157.158.70000110.9
302D28.7Very low32.3Very low162 Ų162145.4 Ų145.487%0.86678%0.78SS**  trans-64136.9167.2-65.9-74.9000111.4
303S30.2Very low31.7Very low125 Ų125143.3 Ų143.387%0.87478%0.777SS**  -173.4161.5129.4240000111.1
304H32.6Very low31.5Very low169 Ų169142.6 Ų142.678%0.78278%0.778SS**  trans-102.1-175.9-165.5-156.5-101.8000112.6
305E32.9Very low31.3Very low134 Ų134140 Ų14063%0.62678%0.779SS**  trans86.3102.6168-54.7-65.9105.300119.4
306N31Very low31.1Very low129 Ų129144.5 Ų144.569%0.6978%0.779SS**  trans74.392.4130.3-52.6-30.6000122.5
307N30.3Very low31.3Very low131 Ų131141.9 Ų141.970%0.70177%0.773SS**  46.8115.7107.9-170.715.5000120.4
308M31.9Very low31.1Very low163 Ų163146.2 Ų146.280%0.80378%0.779SS**  -169.8156.6128.7-103.3-65.3150.500112.7
309D31.5Very low30.7Very low153 Ų153142 Ų14282%0.81878%0.78SS**  trans-74.1156.5-175.4-62.4-89.7000116
310G27.7Very low30.5Very low71 Ų71146.6 Ų146.673%0.73279%0.791SS**  trans136.1127.8152.400000116.8
311P48.2Very low30.8Very low119 Ų119145.1 Ų145.177%0.77378%0.784SS**  trans-90.7156.8172.636.1-34000112.7
312I28.3Very low30.6Very low160 Ų160148.3 Ų148.382%0.82179%0.786SS**  trans169.8134.4130.4-88.2157000113.2
313S26.7Very low30.4Very low96 Ų96148.2 Ų148.267%0.67178%0.781SS**  trans5.7134.3153.4-52.90000124.2
314L27.8Very low30.2Very low166 Ų166152.5 Ų152.587%0.86978%0.778SS**  trans83.2161.6135.4-70.3165.5000121.9
315I28.9Very low29.9Very low163 Ų163152.2 Ų152.284%0.83678%0.777SS**  trans93.1131.8166.8-52.4179.7000117.2
316R26.1Very low29.5Very low228 Ų228149.4 Ų149.486%0.8678%0.776SS**  trans-128.4131.5178161.3-176.9-177113-0.5108
317P35.1Very low29.4Very low112 Ų112148.7 Ų148.773%0.72778%0.781SS**  -148.9167.9120.935.2-16.8000117.6
318K24.7Very low29.9Very low190 Ų190148.6 Ų148.683%0.82679%0.788SS**  trans-25.3158.3160.8-46.8164.4179.5172.10115.2
319S25.2Very low29.7Very low108 Ų108146.4 Ų146.476%0.75579%0.789SS**  cis-175.5138.443.457.70000118
320R26.7Very low29.6Very low246 Ų246147.1 Ų147.193%0.92879%0.792SS**  trans61.6174.1134.6-104.8-159.9165.9-178.7-3.8120
321P41.3Very low29.6Very low110 Ų110149.1 Ų149.171%0.71480%0.795SS**  -135.3171.2-129.544.2-25.2000118
322Q27.5Very low28.6Very low179 Ų179149.6 Ų149.684%0.83680%0.8SS**  trans-157.8127.3155.3-132.5157.5-3.600106.9
323E24Very low28.8Very low161 Ų161150.3 Ų150.375%0.75281%0.805SS**  cis90.3133.245.2-147.9-171.3-107.900113.3
324R26.6Very low28.8Very low214 Ų214153.2 Ų153.281%0.80881%0.813SS**  trans75.6152.6177.2-57-164170.7-157.5-6.7118.3
325E25.3Very low29.1Very low164 Ų164150 Ų15077%0.76680%0.804SS**  cis-161171.6-20.1-107.4-58.713200108.8
326A24.7Very low29.7Very low74 Ų74148.6 Ų148.661%0.61280%0.803SS**  trans-25.2146.3177.600000119.1
327S28.7Very low29.9Very low114 Ų114144.8 Ų144.880%0.79780%0.8SS**  -171.7165.273.9-65.90000113
328P40.2Very low30.3Very low129 Ų129145.5 Ų145.584%0.83881%0.807SS**  trans-98.8165.1-165.438.7-36.9000115.9
329S27.6Very low30.6Very low117 Ų117145 Ų14582%0.81881%0.808SS**  trans-146144.7156.956.20000111.2
330N29.3Very low30.9Very low168 Ų168145.9 Ų145.990%0.89881%0.814SS**  trans-95.3135.3176.6-68.9-43.4000110.5
331S28.6Very low31.2Very low113 Ų113139.2 Ų139.279%0.7981%0.805SS**  trans-150.1134.914853.80000109.4
332C27.4Very low30.7Very low130 Ų130142.3 Ų142.388%0.87881%0.81SS**  trans-83.8138.9-178.3-54.60000110.2
333L31.5Very low30.9Very low175 Ų175139.9 Ų139.992%0.91680%0.802SS**  trans-111.6128.2161.7-69.5175.3000108.5
334D28.5Very low31.2Very low157 Ų157137.9 Ų137.984%0.8480%0.797SS**  trans-108.3106.1171.6178.119000108.3
335S32.1Very low31.4Very low97 Ų97137.6 Ų137.668%0.67880%0.796SS**  trans-167.6119.7159.1-82.30000110.7
336T43.2Very low31.8Very low134 Ų134138.1 Ų138.182%0.82280%0.798SS**  trans26.4105.7143.158.90000118.1
337D29.2Very low32Very low148 Ų148139.3 Ų139.379%0.79180%0.802SS**  trans-124.7153.8157.3-110.4-42.5000112.2
338S43.1Very low32.1Very low127 Ų127145.3 Ų145.389%0.88881%0.809SS**  trans-14557.3179.3-73.10000110.7
339E32.6Very low31.7Very low181 Ų181148 Ų14885%0.84681%0.811SS**  trans-103.7134.4172-66.7-134.8108.900111.6
340S30.9Very low31.6Very low125 Ų125145.7 Ų145.787%0.87481%0.805SS**  trans-118.7105.3175.161.40000109.9
341S32.9Very low31.6Very low107 Ų107145.5 Ų145.575%0.74880%0.804SS**  trans-144.8124.3172.3-174.20000110.5
342H31.3Very low31.8Very low174 Ų174145.5 Ų145.581%0.80680%0.801SS**  trans-151.598.2161.4-113.1-89.6000108.6D344H342-D344 IonicContact CE1-OD2 3.98Å; H342-D344 IonicContact ND1-OD2 3.19Å; H342-D344 PolarHBondContact ND1-OD2 2.85Å
343D30.8Very low31.9Very low128 Ų128143.7 Ų143.768%0.68480%0.795SS**  trans-88.195.3167.4-152.3-64.5000106.8R345D343-R345 PolarHBondContact O-N 3.07Å; D343-R345 IonicContact OD1-NH1 3.92Å
344D30.6Very low31.8Very low120 Ų120143.9 Ų143.964%0.64280%0.796SS**  trans-92.990.3-176.9-119.7-64.6000111.5H342H342-D344 IonicContact CE1-OD2 3.98Å; H342-D344 IonicContact ND1-OD2 3.19Å; H342-D344 PolarHBondContact ND1-OD2 2.85Å
345R31.4Very low31.9Very low207 Ų207143.2 Ų143.278%0.78179%0.793SS**  trans-103.877.2-172.1-136.8-169.3-17499-4.8111.9D343D343-R345 PolarHBondContact O-N 3.07Å; D343-R345 IonicContact OD1-NH1 3.92Å
346Q33.7Very low32Very low175 Ų175143.6 Ų143.682%0.81879%0.793SS**  trans-84.8127.8169.8-65.5-163.47.600111.7
347S28.9Very low31.3Very low99 Ų99146.2 Ų146.269%0.69279%0.793SS**  trans-93.7139.1-178-66.70000112.3
348Y30.5Very low31.2Very low240 Ų240148.7 Ų148.794%0.94179%0.791SS**  trans-127.8135.5151.6-99.1-91.5000108.9
349Q31Very low30.5Very low187 Ų187152.5 Ų152.587%0.87479%0.792SS**  trans-112.2143.9-175.9-75.3-172.9-22.100112.4
350G25.7Very low30.1Very low67 Ų67150.4 Ų150.469%0.69178%0.782SS**  trans78.3125.9158.200000115
351N28.9Very low29.9Very low165 Ų165149.3 Ų149.388%0.88278%0.775SS**  cis-159.1174.745.8-103.3-24.8000112.8
352P34.6Very low30.1Very low112 Ų112150.5 Ų150.573%0.72778%0.78SS**  trans-99.3166.8-155.938.2-37.9000116.4
353A27.5Very low29.7Very low92 Ų92146.7 Ų146.776%0.7678%0.778SS**  trans65.4114.6156.400000119.1
354L31.2Very low29.6Very low179 Ų179149 Ų14994%0.93778%0.779SS**  -164.9141116.2-101.2169.5000109.8
355N28.9Very low29.4Very low143 Ų143150.5 Ų150.577%0.76578%0.784SS**  trans-140.3127.3179174.9-11.3000109.8K357N355-K357 PolarHBondContact OD1-N 2.93Å
356P35.8Very low29.5Very low105 Ų105148.3 Ų148.368%0.68278%0.78SS**  trans-135.511715233.1-16.7000114.6
357K28.1Very low29.8Very low190 Ų190148.8 Ų148.883%0.82678%0.782SS**  trans71.3106.8145.3-57.4167.5-174.7174.40116.5N355N355-K357 PolarHBondContact OD1-N 2.93Å
358R26Very low29.8Very low200 Ų200152 Ų15276%0.75579%0.791SS**  81.9105.660.3-175.4-169.6-173.6-171.94.3114.2Q360R358-Q360 VanDerWaalsContact CZ-OE1 3.27Å
359K28.2Very low30.1Very low207 Ų207146.4 Ų146.490%0.978%0.782SS**  trans-131.4144.7131-74.5-168.3177.5-179.40108.7
360Q25.7Very low29.9Very low136 Ų136147 Ų14764%0.63678%0.782SS**  trans-103.5172.5173.4-59.8162.8-94.400106.4R358R358-Q360 VanDerWaalsContact CZ-OE1 3.27Å
361S25.6Very low30.1Very low103 Ų103147.5 Ų147.572%0.7278%0.779SS**  cis-174.2-172.938.7-58.30000107.8
362P38.1Very low30.5Very low132 Ų132147.2 Ų147.286%0.85778%0.777SS**  cis-120.9-165.5-22.330.8-10.3000111.2
363A23.3Very low30Very low94 Ų94148.9 Ų148.978%0.77778%0.78SS**  trans-129.1154.8176.700000112.9
364Y27.3Very low30.6Very low177 Ų177148 Ų14869%0.69477%0.773SS**  trans51.4116141.8-165.2-87.3000121K366Y364-K366 HydrophobicContact CE1-CG 4.05Å
365M28.3Very low30.9Very low150 Ų150146.1 Ų146.174%0.73977%0.769SS**  -166.2119.7129.6-91.4-53.4165.600106
366K32.4Very low31.1Very low161 Ų161149.3 Ų149.370%0.778%0.776SS**  70.4136.995.8-79.5-160.9177.5-1690116Y364Y364-K366 HydrophobicContact CE1-CG 4.05Å
367E40.5Very low30.7Very low186 Ų186148.9 Ų148.987%0.86978%0.781SS**  trans-76.2155.2176.4-58.3146.6119.100111.5
368D28.3Very low30.9Very low165 Ų165145.6 Ų145.688%0.88278%0.779SS**  trans-157.7171.2147.8-124.6-41.6000111.6
369V36.2Very low31.6Very low124 Ų124146.5 Ų146.575%0.75279%0.789SS**  trans-101.2156.4-156.3172.10000115.2
370K27.5Very low31.6Very low198 Ų198139.8 Ų139.886%0.86178%0.778SS**  trans101.6123.3151.3-108.8168.5-176.8175.40121.6
371A29.7Very low32Very low78 Ų78138.8 Ų138.865%0.64579%0.786SS**  trans79.1114.4131.500000123.2
372L36.9Very low32.7Very low159 Ų159141.8 Ų141.883%0.83279%0.793SS**  trans62.5157.8157.6-74.487.3000117.2
373D24.9Very low32.9Very low147 Ų147142.9 Ų142.979%0.78678%0.784SS**  cis-137.11745.1-156.1-3.8000112.1
374A40Very low33.8Very low75 Ų75143.3 Ų143.362%0.6277%0.774SS**  trans-83.8141.4-177.800000114
375T37.5Very low34.9Very low139 Ų139139.7 Ų139.785%0.85377%0.765SS**  trans17183133.832.70000113.7
376K33Very low36Very low210 Ų210137.4 Ų137.491%0.91375%0.749SS**  trans174.3100.5142.1-100.5159.3-176.1171.50111.4
377A28.3Very low36.8Very low95 Ų95136.7 Ų136.779%0.78575%0.746SS**  trans-86.9133167.100000110.4
378P32.3Very low37.4Very low122 Ų122130.6 Ų130.679%0.79272%0.722SS**  trans-70.5135.3164.830.1-32.3000109.5G380P378-G380 PolarHBondContact O-N 3.03Å
379K39.7Very low38.5Very low219 Ų219128.2 Ų128.295%0.95270%0.704SS**  trans-74.784.3-178.4-69.3-175.4177.8-177.70111.8
380G27.9Very low39.2Very low65 Ų65124.4 Ų124.467%0.6768%0.679SS**PPolyproline II helixtrans-82.9150.6156.100000110.5P378 L382P378-G380 PolarHBondContact O-N 3.03Å; G380-L382 PolarHBondContact O-N 3.15Å
381S34.4Very low40.1Very low116 Ų116119.4 Ų119.481%0.81168%0.683SS**PPolyproline II helixtrans-55135-179.2-168.60000111.6K383S381-K383 PolarHBondContact O-N 3.35Å
382L40.2Very low41.2Very low165 Ų165123.6 Ų123.686%0.86469%0.69SS**PPolyproline II helixtrans-53.7123.4162.4-81.3153.7000107.8G380G380-L382 PolarHBondContact O-N 3.15Å
383K42.9Very low41.7Very low155 Ų155118.5 Ų118.567%0.67468%0.675SS**PPolyproline II helixtrans-90.7141.1164.5-64.1176.7-179.8176.20106.5S381 I385S381-K383 PolarHBondContact O-N 3.35Å; K383-I385 PolarHBondContact O-N 3.29Å
384D42.2Very low42.9Very low103 Ų103117.8 Ų117.855%0.55167%0.667SS**  trans-63105.7175.1-63.5-39.7000109.9Y386D384-Y386 HydrophobicContact CB-CD2 4.16Å; D384-Y386 HydrophobicContact CB-CE2 3.55Å; D384-Y386 WeakPolarHBondContact O-CD2 3.34Å; D384-Y386 PolarHBondContact O-N 2.89Å
385I50.1Low43.1Very low101 Ų101118.5 Ų118.552%0.51866%0.658SS.*EExtended strand (participates in β ladder)trans-86.698.8170.5-54.4-176.8000106.3K383 K387 F399K383-I385 PolarHBondContact O-N 3.29Å; I385-K387 PolarHBondContact O-N 2.81Å; I385-F399 HydrophobicContact CD1-CE1 3.92Å; I385-F399 HydrophobicContact CD1-CZ 4.42Å; I385-F399 HydrophobicContact CG1-CD1 4.26Å; I385-F399 HydrophobicContact CG1-CE1 3.76Å
386Y50.4Low44Very low102 Ų102114.1 Ų114.140%0.463%0.629SS.*EExtended strand (participates in β ladder)trans-73.5121.1175.3-64.2-92.2000108.1D384 V388 A398 K400D384-Y386 HydrophobicContact CB-CD2 4.16Å; D384-Y386 HydrophobicContact CB-CE2 3.55Å; D384-Y386 WeakPolarHBondContact O-CD2 3.34Å; D384-Y386 PolarHBondContact O-N 2.89Å; Y386-V388 PolarHBondContact O-N 3.44Å; Y386-V388 VanDerWaalsContact O-N 3.13Å; Y386-A398 PolarHBondContact N-O 3.21Å; Y386-A398 VanDerWaalsContact N-O 3.17Å; Y386-A398 PolarHBondContact O-N 3.41Å; Y386-K400 HydrophobicContact CD2-CB 4.45Å; Y386-K400 HydrophobicContact CE2-CB 3.97Å; Y386-K400 HydrophobicContact CE2-CD 4.01Å
387K49.2Very low44.6Very low147 Ų147110 Ų11064%0.63961%0.608SS**EExtended strand (participates in β ladder)trans-74.797.4168.1-67.3-168.7176.6-162.10107.9I385 F389 Q395I385-K387 PolarHBondContact O-N 2.81Å; K387-F389 HydrophobicContact CB-CE2 4.24Å; K387-Q395 HydrophobicContact CB-CG 4.47Å
388V53.4Low45.8Very low58 Ų58105.7 Ų105.735%0.35257%0.572SS.*EExtended strand (participates in β ladder)trans-98.7141.4172.9179.40000107.1Y386 Q395 I396 A398Y386-V388 PolarHBondContact O-N 3.44Å; Y386-V388 VanDerWaalsContact O-N 3.13Å; V388-Q395 CarbonylContact O-C 3.5Å; V388-I396 PolarHBondContact N-O 3.23Å; V388-I396 PolarHBondContact O-N 3.42Å; V388-A398 HydrophobicContact CB-CB 4.28Å; V388-A398 HydrophobicContact CG2-CB 3.58Å
389F52.4Low46.8Very low115 Ų115103.6 Ų103.650%0.50455%0.551SS.*EExtended strand (participates in β ladder)trans-113.4142172.7-64.6-96.1000108.6K387 G393 E394 Q395K387-F389 HydrophobicContact CB-CE2 4.24Å; F389-G393 WeakPolarHBondContact CD1-O 3.48Å; F389-E394 CarbonylContact C-O 3.51Å; F389-E394 VanDerWaalsContact CA-O 3.23Å; F389-E394 WeakPolarHBondContact CA-O 3.41Å; F389-Q395 HydrophobicContact CD1-CB 3.86Å; F389-Q395 HydrophobicContact CD1-CG 4.11Å; F389-Q395 HydrophobicContact CE1-CB 3.54Å; F389-Q395 HydrophobicContact CE1-CG 3.62Å; F389-Q395 HydrophobicContact CE2-CG 4.27Å; F389-Q395 HydrophobicContact CZ-CB 4.17Å; F389-Q395 HydrophobicContact CZ-CG 3.71Å
390N50.2Low47Very low43 Ų4397.8 Ų97.823%0.2353%0.525CS..  trans-75.3175.417275.3-4.2000110.7E392 G393 E394 I396N390-E392 PolarHBondContact ND2-OE2 3.25Å; N390-E392 PolarHBondContact O-N 2.89Å; N390-E392 VanDerWaalsContact O-N 3.08Å; N390-E392 WeakPolarHBondContact OD1-CA 2.93Å; N390-E392 WeakPolarHBondContact OD1-CB 3.45Å; N390-E392 PolarHBondContact OD1-N 3.45Å; N390-G393 PolarHBondContact O-N 3.43Å; N390-G393 PolarHBondContact OD1-N 2.9Å; N390-E394 PolarHBondContact N-O 3.34Å; N390-E394 PolarHBondContact OD1-N 3.47Å; N390-I396 HydrophobicContact CB-CD1 3.94Å
391G45.8Very low47.8Very low93 Ų9396 Ų9696%0.95950%0.502SS*.THydrogen-bonded Turntrans-64.5-8.5177.100000114.8
392E52.8Low48.3Very low166 Ų16697.8 Ų97.878%0.77650%0.498SS*.THydrogen-bonded Turntrans-104.9-3.7-178.2-57.9167.1153.200111.9N390N390-E392 PolarHBondContact ND2-OE2 3.25Å; N390-E392 PolarHBondContact O-N 2.89Å; N390-E392 VanDerWaalsContact O-N 3.08Å; N390-E392 WeakPolarHBondContact OD1-CA 2.93Å; N390-E392 WeakPolarHBondContact OD1-CB 3.45Å; N390-E392 PolarHBondContact OD1-N 3.45Å
393G47.8Very low48.2Very low52 Ų5298.2 Ų98.254%0.53650%0.495SS..SBendtrans93.53.8177.100000116F389 N390F389-G393 WeakPolarHBondContact CD1-O 3.48Å; N390-G393 PolarHBondContact O-N 3.43Å; N390-G393 PolarHBondContact OD1-N 2.9Å
394E49.8Very low48.3Very low132 Ų13292.8 Ų92.862%0.61748%0.476SS*.  trans-79.1138.7177.7-58.4-159.5128.400112.5F389 N390 I396F389-E394 CarbonylContact C-O 3.51Å; F389-E394 VanDerWaalsContact CA-O 3.23Å; F389-E394 WeakPolarHBondContact CA-O 3.41Å; N390-E394 PolarHBondContact N-O 3.34Å; N390-E394 PolarHBondContact OD1-N 3.47Å; E394-I396 PolarHBondContact O-N 3.47Å
395Q45.8Very low48.6Very low91 Ų9196.2 Ų96.243%0.42548%0.481SS..EExtended strand (participates in β ladder)trans-86.293.7-175.4-162.4-155.5-8400112.7K387 V388 F389K387-Q395 HydrophobicContact CB-CG 4.47Å; V388-Q395 CarbonylContact O-C 3.5Å; F389-Q395 HydrophobicContact CD1-CB 3.86Å; F389-Q395 HydrophobicContact CD1-CG 4.11Å; F389-Q395 HydrophobicContact CE1-CB 3.54Å; F389-Q395 HydrophobicContact CE1-CG 3.62Å; F389-Q395 HydrophobicContact CE2-CG 4.27Å; F389-Q395 HydrophobicContact CZ-CB 4.17Å; F389-Q395 HydrophobicContact CZ-CG 3.71Å
396I54.8Low48.6Very low47 Ų4792.1 Ų92.124%0.24146%0.461CS..EExtended strand (participates in β ladder)trans-71.6136172.2-59.3177.7000110.9V388 N390 E394 A398 L409 D410V388-I396 PolarHBondContact N-O 3.23Å; V388-I396 PolarHBondContact O-N 3.42Å; N390-I396 HydrophobicContact CB-CD1 3.94Å; E394-I396 PolarHBondContact O-N 3.47Å; I396-A398 PolarHBondContact O-N 3.08Å; I396-L409 HydrophobicContact CG2-CB 4.08Å; I396-L409 HydrophobicContact CG2-CD2 3.74Å; I396-D410 WeakPolarHBondContact CA-OD2 3.37Å; I396-D410 HydrophobicContact CG2-CB 4.34Å
397R46.5Very low48.5Very low124 Ų12491 Ų9147%0.46846%0.462SS..EExtended strand (participates in β ladder)trans-84.2105.2172.3-65.1173.3-68.7-133.51109.8F399 D410R397-F399 HydrophobicContact CB-CE2 4.09Å; R397-D410 IonicContact CZ-OD1 3.13Å; R397-D410 PolarHBondContact N-OD2 3.26Å; R397-D410 IonicContact NE-OD1 2.76Å; R397-D410 PolarHBondContact NE-OD1 3.27Å; R397-D410 IonicContact NE-OD2 3.75Å; R397-D410 IonicContact NH2-OD1 2.68Å; R397-D410 PolarHBondContact NH2-OD1 3.06Å; R397-D410 PolarHBondContact O-N 2.97Å
398A53.4Low48.6Very low4 Ų486.8 Ų86.83%0.03344%0.443CS..EExtended strand (participates in β ladder)trans-97.9123.2176.300000111.8Y386 V388 I396 F408 L409Y386-A398 PolarHBondContact N-O 3.21Å; Y386-A398 VanDerWaalsContact N-O 3.17Å; Y386-A398 PolarHBondContact O-N 3.41Å; V388-A398 HydrophobicContact CB-CB 4.28Å; V388-A398 HydrophobicContact CG2-CB 3.58Å; I396-A398 PolarHBondContact O-N 3.08Å; A398-F408 WeakPolarHBondContact CA-O 3.46Å; A398-L409 HydrophobicContact CB-CD2 3.64Å
399F53Low48.6Very low78 Ų7886.4 Ų86.434%0.34244%0.439SS..EExtended strand (participates in β ladder)trans-113.1126.5174.1-62-87.9000111.5I385 R397 F408I385-F399 HydrophobicContact CD1-CE1 3.92Å; I385-F399 HydrophobicContact CD1-CZ 4.42Å; I385-F399 HydrophobicContact CG1-CD1 4.26Å; I385-F399 HydrophobicContact CG1-CE1 3.76Å; R397-F399 HydrophobicContact CB-CE2 4.09Å; F399-F408 HydrophobicContact CB-CB 4.36Å; F399-F408 PolarHBondContact N-O 2.82Å; F399-F408 PolarHBondContact O-N 3.33Å
400K44.3Very low48.3Very low96 Ų9683.4 Ų83.442%0.41743%0.428SS..EExtended strand (participates in β ladder)trans-95115.2177.1-176.8-172.9173.4-155.80111.1Y386 E402 L407Y386-K400 HydrophobicContact CD2-CB 4.45Å; Y386-K400 HydrophobicContact CE2-CB 3.97Å; Y386-K400 HydrophobicContact CE2-CD 4.01Å; K400-E402 IonicContact NZ-OE1 3.32Å; K400-E402 PolarHBondContact O-N 3.39Å; K400-L407 HydrophobicContact CB-CD2 4.06Å; K400-L407 HydrophobicContact CG-CD2 4.27Å
401C45.3Very low48Very low28 Ų2889.4 Ų89.419%0.18945%0.454CS..  trans-84.995.7172.5176.40000110.7H403 C404 R405 V406 F408C401-H403 PolarHBondContact O-N 2.86Å; C401-C404 HydrophobicContact CB-CB 4.37Å; C401-C404 WeakPolarHBondContact CB-SG 3.48Å; C401-C404 PolarHBondContact O-N 3.32Å; C401-C404 VanDerWaalsContact O-N 3.14Å; C401-C404 WeakPolarHBondContact SG-CB 3.37Å; C401-C404 PolarHBondContact SG-N 3.1Å; C401-C404 CovalentContact SG-SG 2.04Å; C401-C404 PolarHBondContact SG-SG 2.89Å; C401-R405 WeakPolarHBondContact O-CA 3.34Å; C401-R405 PolarHBondContact O-N 3.4Å; C401-V406 HydrophobicContact CB-CB 4.4Å; C401-V406 WeakPolarHBondContact CB-O 3.48Å; C401-V406 PolarHBondContact N-O 2.95Å; C401-F408 HydrophobicContact CB-CE2 4.03Å
402E43.2Very low47.9Very low153 Ų15388.7 Ų88.772%0.71543%0.432SS*.THydrogen-bonded Turntrans-58.3-34.4178.6-58.1-149.6118.700113.2K400 C404K400-E402 IonicContact NZ-OE1 3.32Å; K400-E402 PolarHBondContact O-N 3.39Å; E402-C404 VanDerWaalsContact C-N 3.3Å; E402-C404 PolarHBondContact O-N 3.46Å
403H39.9Very low47.4Very low174 Ų17484.2 Ų84.281%0.80641%0.411SS*.THydrogen-bonded Turntrans-71.3-21.6-179.4-124.886.3000114.3C401C401-H403 PolarHBondContact O-N 2.86Å
404C43.6Very low47.3Very low41 Ų4188.2 Ų88.228%0.27741%0.411SS..THydrogen-bonded Turntrans-131.2-2.6-172.165.10000114.9C401 E402 V406C401-C404 HydrophobicContact CB-CB 4.37Å; C401-C404 WeakPolarHBondContact CB-SG 3.48Å; C401-C404 PolarHBondContact O-N 3.32Å; C401-C404 VanDerWaalsContact O-N 3.14Å; C401-C404 WeakPolarHBondContact SG-CB 3.37Å; C401-C404 PolarHBondContact SG-N 3.1Å; C401-C404 CovalentContact SG-SG 2.04Å; C401-C404 PolarHBondContact SG-SG 2.89Å; E402-C404 VanDerWaalsContact C-N 3.3Å; E402-C404 PolarHBondContact O-N 3.46Å; C404-V406 HydrophobicContact CB-CG2 4.31Å; C404-V406 PolarHBondContact O-N 3.08Å
405R48.4Very low46.9Very low176 Ų17684.4 Ų84.466%0.66440%0.397SS*.  trans54.311.5-174.6-71.7-176.5167.7134.3-2115.4S148 C401S148-R405 PolarHBondContact OG-NH2 2.86Å; C401-R405 WeakPolarHBondContact O-CA 3.34Å; C401-R405 PolarHBondContact O-N 3.4Å
406V49.8Very low46.6Very low15 Ų1585.4 Ų85.49%0.09140%0.404CS..PPolyproline II helixtrans-76.2135.7172.6176.70000109.8C401 C404 F408 M413C401-V406 HydrophobicContact CB-CB 4.4Å; C401-V406 WeakPolarHBondContact CB-O 3.48Å; C401-V406 PolarHBondContact N-O 2.95Å; C404-V406 HydrophobicContact CB-CG2 4.31Å; C404-V406 PolarHBondContact O-N 3.08Å; V406-F408 HydrophobicContact CB-CE2 3.94Å; V406-F408 HydrophobicContact CB-CZ 4.29Å; V406-F408 HydrophobicContact CG1-CD1 4.43Å; V406-F408 HydrophobicContact CG1-CD2 3.88Å; V406-F408 HydrophobicContact CG1-CE1 4.12Å; V406-F408 HydrophobicContact CG1-CE2 3.5Å; V406-F408 HydrophobicContact CG1-CG 4.32Å; V406-F408 HydrophobicContact CG1-CZ 3.64Å; V406-M413 HydrophobicContact CG1-CG 4.1Å
407L48.1Very low45.6Very low79 Ų7989.6 Ų89.641%0.41442%0.423SS..EExtended strand (participates in β ladder)trans-98.4128.9163.6-69.2168.9000107.9K400 Y414K400-L407 HydrophobicContact CB-CD2 4.06Å; K400-L407 HydrophobicContact CG-CD2 4.27Å; L407-Y414 PolarHBondContact O-N 3.47Å
408F52.2Low45Very low57 Ų5791.1 Ų91.125%0.2544%0.437CS..EExtended strand (participates in β ladder)trans-102.7127.2171.2-62.1-96.4000107.9A398 F399 C401 V406 M413A398-F408 WeakPolarHBondContact CA-O 3.46Å; F399-F408 HydrophobicContact CB-CB 4.36Å; F399-F408 PolarHBondContact N-O 2.82Å; F399-F408 PolarHBondContact O-N 3.33Å; C401-F408 HydrophobicContact CB-CE2 4.03Å; V406-F408 HydrophobicContact CB-CE2 3.94Å; V406-F408 HydrophobicContact CB-CZ 4.29Å; V406-F408 HydrophobicContact CG1-CD1 4.43Å; V406-F408 HydrophobicContact CG1-CD2 3.88Å; V406-F408 HydrophobicContact CG1-CE1 4.12Å; V406-F408 HydrophobicContact CG1-CE2 3.5Å; V406-F408 HydrophobicContact CG1-CG 4.32Å; V406-F408 HydrophobicContact CG1-CZ 3.64Å; F408-M413 HydrophobicContact CD1-CB 4.16Å; F408-M413 HydrophobicContact CD1-CG 4.04Å; F408-M413 HydrophobicContact CE1-CB 4.06Å; F408-M413 HydrophobicContact CE1-CG 3.54Å; F408-M413 HydrophobicContact CE1-SD 3.79Å; F408-M413 HydrophobicContact CZ-CG 4.26Å; F408-M413 HydrophobicContact CZ-SD 4.27Å
409L53.8Low44.2Very low51 Ų5194 Ų9427%0.26747%0.466SS..EExtended strand (participates in β ladder)trans-121.9112.9177.5-69.2169000106.7I396 A398 H411 V412 Y414I396-L409 HydrophobicContact CG2-CB 4.08Å; I396-L409 HydrophobicContact CG2-CD2 3.74Å; A398-L409 HydrophobicContact CB-CD2 3.64Å; L409-H411 PolarHBondContact O-N 3.16Å; L409-V412 PolarHBondContact N-O 2.82Å; L409-V412 WeakPolarHBondContact O-CA 3.46Å; L409-V412 WeakPolarHBondContact O-CB 3.49Å; L409-V412 PolarHBondContact O-N 3.22Å; L409-Y414 HydrophobicContact CB-CD2 4.33Å; L409-Y414 HydrophobicContact CB-CE2 4.15Å; L409-Y414 HydrophobicContact CD1-CD2 4Å; L409-Y414 HydrophobicContact CD1-CE2 3.82Å; L409-Y414 HydrophobicContact CG-CD2 4.44Å; L409-Y414 HydrophobicContact CG-CE2 4.47Å
410D46Very low43.2Very low51 Ų5195.3 Ų95.327%0.27348%0.484SS..THydrogen-bonded Turntrans18.382.4-175.1-85.5-55.8000116.2I396 R397 V412I396-D410 WeakPolarHBondContact CA-OD2 3.37Å; I396-D410 HydrophobicContact CG2-CB 4.34Å; R397-D410 IonicContact CZ-OD1 3.13Å; R397-D410 PolarHBondContact N-OD2 3.26Å; R397-D410 IonicContact NE-OD1 2.76Å; R397-D410 PolarHBondContact NE-OD1 3.27Å; R397-D410 IonicContact NE-OD2 3.75Å; R397-D410 IonicContact NH2-OD1 2.68Å; R397-D410 PolarHBondContact NH2-OD1 3.06Å; R397-D410 PolarHBondContact O-N 2.97Å; D410-V412 PolarHBondContact O-N 3.32Å
411H44.6Very low42.8Very low169 Ų169100.4 Ų100.478%0.78251%0.509SS*.THydrogen-bonded Turntrans67.2-12.1177.7-54.3-91.2000116.4L409L409-H411 PolarHBondContact O-N 3.16Å
412V43.6Very low42.1Very low79 Ų79102.2 Ų102.248%0.47953%0.532SS..EExtended strand (participates in β ladder)trans-85.3123.4169.9-173.60000110.5L409 D410 Y414L409-V412 PolarHBondContact N-O 2.82Å; L409-V412 WeakPolarHBondContact O-CA 3.46Å; L409-V412 WeakPolarHBondContact O-CB 3.49Å; L409-V412 PolarHBondContact O-N 3.22Å; D410-V412 PolarHBondContact O-N 3.32Å; V412-Y414 HydrophobicContact CB-CD2 4.48Å; V412-Y414 HydrophobicContact CB-CE2 4.02Å; V412-Y414 HydrophobicContact CG1-CD2 4.02Å; V412-Y414 HydrophobicContact CG1-CE2 3.58Å
413M41.8Very low42Very low72 Ų72106.3 Ų106.336%0.35554%0.543SS..EExtended strand (participates in β ladder)trans-94.2101.1179-177.9175.658.800111.2V406 F408 T415 F442V406-M413 HydrophobicContact CG1-CG 4.1Å; F408-M413 HydrophobicContact CD1-CB 4.16Å; F408-M413 HydrophobicContact CD1-CG 4.04Å; F408-M413 HydrophobicContact CE1-CB 4.06Å; F408-M413 HydrophobicContact CE1-CG 3.54Å; F408-M413 HydrophobicContact CE1-SD 3.79Å; F408-M413 HydrophobicContact CZ-CG 4.26Å; F408-M413 HydrophobicContact CZ-SD 4.27Å; M413-T415 VanDerWaalsContact C-N 3.34Å; M413-T415 HydrophobicContact CE-CG2 3.8Å; M413-T415 HydrophobicContact CG-CG2 3.99Å; M413-T415 PolarHBondContact O-N 2.68Å; M413-T415 HydrophobicContact SD-CG2 3.97Å; M413-F442 HydrophobicContact CE-CE1 4.11Å; M413-F442 HydrophobicContact CE-CZ 3.6Å
414Y45.1Very low41.9Very low135 Ų135107.9 Ų107.953%0.52954%0.542SS..EExtended strand (participates in β ladder)trans-79.380.4173.6-73.3-92.3000111.1L407 L409 V412 I416L407-Y414 PolarHBondContact O-N 3.47Å; L409-Y414 HydrophobicContact CB-CD2 4.33Å; L409-Y414 HydrophobicContact CB-CE2 4.15Å; L409-Y414 HydrophobicContact CD1-CD2 4Å; L409-Y414 HydrophobicContact CD1-CE2 3.82Å; L409-Y414 HydrophobicContact CG-CD2 4.44Å; L409-Y414 HydrophobicContact CG-CE2 4.47Å; V412-Y414 HydrophobicContact CB-CD2 4.48Å; V412-Y414 HydrophobicContact CB-CE2 4.02Å; V412-Y414 HydrophobicContact CG1-CD2 4.02Å; V412-Y414 HydrophobicContact CG1-CE2 3.58Å; Y414-I416 PolarHBondContact O-N 2.97Å
415T41.5Very low41.7Very low52 Ų52110.8 Ų110.832%0.31956%0.555SS.*  trans-65102.9172.643.70000111.3M413 H417M413-T415 VanDerWaalsContact C-N 3.34Å; M413-T415 HydrophobicContact CE-CG2 3.8Å; M413-T415 HydrophobicContact CG-CG2 3.99Å; M413-T415 PolarHBondContact O-N 2.68Å; M413-T415 HydrophobicContact SD-CG2 3.97Å; T415-H417 VanDerWaalsContact C-N 3.3Å; T415-H417 PolarHBondContact O-N 2.96Å
416I40.1Very low41.7Very low112 Ų112108.2 Ų108.257%0.57456%0.561SS**  trans-69.191.4163.7-56.7-178.1000107.4Y414 M418Y414-I416 PolarHBondContact O-N 2.97Å; I416-M418 VanDerWaalsContact C-N 3.31Å; I416-M418 PolarHBondContact O-N 2.92Å
417H33.9Very low41.2Very low136 Ų136110.5 Ų110.563%0.6357%0.572SS**  trans-82.560.4-153.4-151.7-78.2000114.8T415 G419T415-H417 VanDerWaalsContact C-N 3.3Å; T415-H417 PolarHBondContact O-N 2.96Å; H417-G419 VanDerWaalsContact C-N 3.31Å; H417-G419 PolarHBondContact O-N 3.04Å
418M34Very low40.9Very low156 Ų156110.3 Ų110.377%0.76857%0.569SS**  trans-77.573.8179-68.7-62-73.100113.1I416I416-M418 VanDerWaalsContact C-N 3.31Å; I416-M418 PolarHBondContact O-N 2.92Å
419G36.7Very low40.6Very low63 Ų63110 Ų11065%0.64957%0.573SS**  trans65.170.8153.100000117.4H417H417-G419 VanDerWaalsContact C-N 3.31Å; H417-G419 PolarHBondContact O-N 3.04Å
420C31Very low39.8Very low107 Ų107113.5 Ų113.572%0.72359%0.592SS**  trans-119.877.9168.5-76.30000112G422C420-G422 PolarHBondContact O-N 2.92Å
421H35.4Very low39.4Very low202 Ų202116.5 Ų116.594%0.93561%0.607SS**  trans-74.3115.1164.2-74.1-82.6000109.9
422G31Very low39.3Very low66 Ų66112 Ų11268%0.6859%0.594SS**  trans175.382.9177.700000112.2C420 R424C420-G422 PolarHBondContact O-N 2.92Å; G422-R424 PolarHBondContact O-N 3.19Å
423Y42.3Very low39.1Very low239 Ų239110.7 Ų110.794%0.93760%0.596SS**  trans-61.1107.4177.6-89.7-95.1000111.8
424R37.3Very low39.2Very low208 Ų208113.7 Ų113.779%0.78560%0.604SS**SBendtrans-156.2117.6151.9-122.5-177.7-179-162.5-2.3110.3G422 N430G422-R424 PolarHBondContact O-N 3.19Å; R424-N430 PolarHBondContact O-ND2 3.15Å; R424-N430 VanDerWaalsContact O-ND2 3.16Å
425D40Very low38.9Very low102 Ų102114.1 Ų114.155%0.54561%0.605SS.*  trans53.9112.9-173.2-94.4-70.1000116.4L427D425-L427 PolarHBondContact O-N 2.84Å; D425-L427 VanDerWaalsContact O-N 3.09Å
426P46.5Very low39.1Very low121 Ų121113.7 Ų113.779%0.78660%0.604SS**THydrogen-bonded Turntrans-64.8-10174.9-21.533.5000115
427L40.4Very low39Very low63 Ų63117.4 Ų117.433%0.3362%0.619SS.*THydrogen-bonded Turntrans-107.3-7-167.6-63174.5000114D425 R435 S436D425-L427 PolarHBondContact O-N 2.84Å; D425-L427 VanDerWaalsContact O-N 3.09Å; L427-R435 CarbonylContact O-C 3.34Å; L427-R435 VanDerWaalsContact O-CA 3.25Å; L427-R435 WeakPolarHBondContact O-CA 3.2Å; L427-S436 PolarHBondContact O-N 3.33Å
428E41.1Very low39Very low75 Ų75116.4 Ų116.435%0.3562%0.618SS.*EExtended strand (participates in β ladder)trans-134.4124.2-170.3-157.1169135.900113.6N430 Y434 R435E428-N430 PolarHBondContact O-N 3.09Å; E428-N430 PolarHBondContact O-ND2 2.74Å; E428-Y434 WeakPolarHBondContact CA-O 3.49Å; E428-R435 HydrophobicContact CB-CG 4.26Å; E428-R435 HydrophobicContact CG-CB 4.32Å; E428-R435 HydrophobicContact CG-CG 4.13Å; E428-R435 WeakPolarHBondContact OE2-CD 3.35Å; E428-R435 IonicContact OE2-CZ 2.78Å; E428-R435 IonicContact OE2-NE 3.71Å; E428-R435 PolarHBondContact OE2-NE 3.03Å; E428-R435 IonicContact OE2-NH2 3.79Å
429C45.4Very low38.8Very low50 Ų50119.5 Ų119.534%0.33862%0.622SS.*EExtended strand (participates in β ladder)trans-76.898.2177.8-174.50000110.5I431 C432 G433 Y434C429-I431 PolarHBondContact O-N 3.23Å; C429-C432 PolarHBondContact O-N 3.14Å; C429-C432 VanDerWaalsContact SG-SG 3.63Å; C429-G433 PolarHBondContact O-N 3.35Å; C429-Y434 PolarHBondContact N-O 3.07Å
430N39Very low38.7Very low125 Ų125125.3 Ų125.367%0.66863%0.625SS**THydrogen-bonded Turntrans-54.20.4179-72.9-79.3000116.5R424 E428R424-N430 PolarHBondContact O-ND2 3.15Å; R424-N430 VanDerWaalsContact O-ND2 3.16Å; E428-N430 PolarHBondContact O-N 3.09Å; E428-N430 PolarHBondContact O-ND2 2.74Å
431I37.3Very low38.5Very low114 Ų114129 Ų12959%0.58563%0.632SS**THydrogen-bonded Turntrans-105.5-26.4174.9-61.5177.5000112.3C429C429-I431 PolarHBondContact O-N 3.23Å
432C41.8Very low38.2Very low76 Ų76125.2 Ų125.251%0.51461%0.613SS.*THydrogen-bonded Turntrans-132.9-2.2-175.766.40000115.4C429 Y434C429-C432 PolarHBondContact O-N 3.14Å; C429-C432 VanDerWaalsContact SG-SG 3.63Å; C432-Y434 PolarHBondContact O-N 2.99Å
433G40.2Very low38Very low50 Ų50126.9 Ų126.952%0.51561%0.614SS.*THydrogen-bonded Turntrans67.711.9-178.600000114.3C429 R435C429-G433 PolarHBondContact O-N 3.35Å; G433-R435 PolarHBondContact O-N 2.73Å
434Y43Very low37.3Very low135 Ų135120.8 Ų120.853%0.52961%0.607SS.*EExtended strand (participates in β ladder)trans-70.6125.4174.8-176.9-94.8000109.8E428 C429 C432E428-Y434 WeakPolarHBondContact CA-O 3.49Å; C429-Y434 PolarHBondContact N-O 3.07Å; C432-Y434 PolarHBondContact O-N 2.99Å
435R40Very low36.8Very low145 Ų145118.6 Ų118.655%0.54761%0.605SS.*EExtended strand (participates in β ladder)trans-112114.4-176.2-151.2173.9-153.2-102.5-4.5109.6L427 E428 G433L427-R435 CarbonylContact O-C 3.34Å; L427-R435 VanDerWaalsContact O-CA 3.25Å; L427-R435 WeakPolarHBondContact O-CA 3.2Å; E428-R435 HydrophobicContact CB-CG 4.26Å; E428-R435 HydrophobicContact CG-CB 4.32Å; E428-R435 HydrophobicContact CG-CG 4.13Å; E428-R435 WeakPolarHBondContact OE2-CD 3.35Å; E428-R435 IonicContact OE2-CZ 2.78Å; E428-R435 IonicContact OE2-NE 3.71Å; E428-R435 PolarHBondContact OE2-NE 3.03Å; E428-R435 IonicContact OE2-NH2 3.79Å; G433-R435 PolarHBondContact O-N 2.73Å
436S44.1Very low36.4Very low43 Ų43121.9 Ų121.930%0.30162%0.62SS.*  trans-70.6135174.7-165.40000109.7L427 D438L427-S436 PolarHBondContact O-N 3.33Å; S436-D438 PolarHBondContact OG-N 3.26Å; S436-D438 PolarHBondContact OG-O 3.32Å
437Q38.3Very low35.4Very low189 Ų189122.3 Ų122.388%0.88362%0.621SS**SBendtrans-86.5-28.9171-68.9-176.5-59.300111.4
438D33.5Very low35.1Very low115 Ų115131.3 Ų131.362%0.61565%0.65SS**SBendtrans-101.9147.2-179-58.6-65.1000112.2S436S436-D438 PolarHBondContact OG-N 3.26Å; S436-D438 PolarHBondContact OG-O 3.32Å
439R31Very low34.3Very low222 Ų222130.6 Ų130.684%0.83866%0.663SS**  trans-84.4124.7176.9-64.1-173.5-173.6-160.34.1110.3
440Y34.5Very low33.5Very low185 Ų185137.4 Ų137.473%0.72569%0.69SS**  trans-121.2125.9156.3-77.4-87.5000108.5F442Y440-F442 WeakPolarHBondContact O-CD2 3.46Å
441E26.8Very low32.9Very low185 Ų185139.4 Ų139.486%0.86470%0.695SS**  trans-80.4117.7170.7-66.9-171.3153.300108.6S443E441-S443 PolarHBondContact O-N 3.09Å
442F28.8Very low32.4Very low122 Ų122140 Ų14054%0.53570%0.704SS.*  trans-78.487.9-178.9-70-88.8000110.5M413 Y440 S444M413-F442 HydrophobicContact CE-CE1 4.11Å; M413-F442 HydrophobicContact CE-CZ 3.6Å; Y440-F442 WeakPolarHBondContact O-CD2 3.46Å; F442-S444 PolarHBondContact O-N 3.02Å
443S25.7Very low32Very low101 Ų101145.9 Ų145.971%0.70672%0.721SS**  trans-66.5117.116455.60000109.1E441 H445E441-S443 PolarHBondContact O-N 3.09Å; S443-H445 PolarHBondContact O-N 3.45Å
444S29.5Very low31.6Very low111 Ų111155.5 Ų155.578%0.77675%0.752SS**  trans-82.561.6-172.162.70000112.5F442F442-S444 PolarHBondContact O-N 3.02Å
445H26.4Very low31Very low161 Ų161156.6 Ų156.675%0.74576%0.763SS**  trans-129.5114.9176.3-69.2-51.5000111.9S443S443-H445 PolarHBondContact O-N 3.45Å
446I30.4Very low30.5Very low171 Ų171157.2 Ų157.288%0.87778%0.775SS**  -163.4134.1122-98.6155.1000107.7
447V26.4Very low29.8Very low131 Ų131163.5 Ų163.579%0.79480%0.801SS**  trans-88.8159.3175172.60000108.8G449V447-G449 PolarHBondContact O-N 3.35Å; V447-G449 VanDerWaalsContact O-N 3.17Å
448R33.8Very low29.3Very low251 Ų251162 Ų16295%0.94780%0.796SS**  trans-28.4114.8173.9-70.5178.3165.9116.2-7.2113.8
449G23.4Very low29Very low60 Ų60164.9 Ų164.962%0.61981%0.808SS**  trans-124.2133.9160.300000108.9V447V447-G449 PolarHBondContact O-N 3.35Å; V447-G449 VanDerWaalsContact O-N 3.17Å
450E28.8Very low28.9Very low194 Ų194161.1 Ų161.191%0.90781%0.806SS**  trans-84.8115.4179.9-63.7-176.7137.100109.8T452E450-T452 PolarHBondContact O-N 3.28Å
451H27.9Very low28.5Very low167 Ų167159.4 Ų159.477%0.77381%0.811SS**  trans-93.395.5173.2-77.7-79.6000110.4F453H451-F453 HydrophobicContact CB-CE2 4.45Å; H451-F453 PolarHBondContact O-N 3.46Å
452T26.9Very low28.6Very low125 Ų125157.5 Ų157.577%0.76781%0.807SS**  trans-70.8110161.448.10000109.1E450E450-T452 PolarHBondContact O-N 3.28Å
453F32.3Very low28.6Very low201 Ų201160.4 Ų160.488%0.88283%0.83SS**  trans-71.6138.4162.8-74.6-95.2000108.8H451H451-F453 HydrophobicContact CB-CE2 4.45Å; H451-F453 PolarHBondContact O-N 3.46Å
454H31.8Very low28.9Very low252 Ų252165.8 Ų165.8100%1.16784%0.841SS**  trans-101.50-171.1-134.4-38.8000113.1

Retrieved 454 of 454 residues in 51.2 ms (Link to these results)